A0A077ZEH0_TRITR Loading...

DNA-directed DNA polymerase

AlphaFold DB , UniProt , Accession A0A077ZEH0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 928 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
1M54Low82Confident218 Ų21870.4 Ų70.4100%1.07435%0.353SS*.  0113.20-80.1-171.6176.800106.6Q3M1-Q3 PolarHBondContact O-N 3.49Å
2V72Confident83.3Confident40 Ų4064.8 Ų64.824%0.24233%0.325CS..PPolyproline II helixtrans-53.4132.3175.1109.80000110.2T150 I159 E164V2-T150 HydrophobicContact CG1-CG2 4.29Å; V2-T150 HydrophobicContact CG2-CG2 4.32Å; V2-I159 HydrophobicContact CG1-CB 4.05Å; V2-I159 HydrophobicContact CG1-CG2 3.28Å; V2-E164 PolarHBondContact N-OE1 3.44Å
3Q72.7Confident84.4Confident174 Ų17460.1 Ų60.181%0.81330%0.302SS*.PPolyproline II helixtrans-99.8129.9169.1-72.8-169.6-11.900108.1M1 P5M1-Q3 PolarHBondContact O-N 3.49Å; Q3-P5 WeakPolarHBondContact O-CD 3.3Å
4I77.9Confident85.2Confident33 Ų3355.8 Ų55.817%0.16928%0.28CS..PPolyproline II helixtrans-72.6124173.2-64.7168.8000107.3P8 Y53 L133 I152 I159I4-P8 HydrophobicContact CG2-CG 3.99Å; I4-Y53 HydrophobicContact CB-CE1 4.19Å; I4-Y53 HydrophobicContact CD1-CE1 3.51Å; I4-Y53 WeakPolarHBondContact CD1-OH 3.18Å; I4-Y53 HydrophobicContact CG1-CE1 4.45Å; I4-Y53 HydrophobicContact CG2-CD1 4.18Å; I4-Y53 HydrophobicContact CG2-CE1 3.9Å; I4-L133 HydrophobicContact CD1-CD1 3.69Å; I4-L133 HydrophobicContact CD1-CD2 4.06Å; I4-L133 HydrophobicContact CG1-CD1 4.02Å; I4-L133 HydrophobicContact CG2-CD1 4.3Å; I4-L133 HydrophobicContact CG2-CD2 4.08Å; I4-I152 HydrophobicContact CD1-CD1 4.43Å; I4-I159 HydrophobicContact CD1-CD1 3.54Å; I4-I159 HydrophobicContact CD1-CG1 4.05Å; I4-I159 HydrophobicContact CD1-CG2 4.15Å; I4-I159 HydrophobicContact CG1-CD1 4.04Å; I4-I159 HydrophobicContact CG1-CG2 4.08Å
5P76.5Confident85.7Confident50 Ų5053 Ų5333%0.32527%0.268SS..PPolyproline II helixtrans-57.3155.8176.9-28.239.4000112.1Q3 P8 P131Q3-P5 WeakPolarHBondContact O-CD 3.3Å; P5-P8 WeakPolarHBondContact O-CD 3.32Å; P5-P131 HydrophobicContact CB-CB 3.69Å; P5-P131 HydrophobicContact CB-CG 3.72Å; P5-P131 HydrophobicContact CG-CB 3.75Å; P5-P131 HydrophobicContact CG-CG 4.08Å
6Q78.4Confident86.1Confident191 Ų19151.9 Ų51.989%0.89327%0.266SS*.SBendtrans-67.5137.2176.1-68.7-172.8-6.500110.7
7N85.8Confident86.5Confident67 Ų6748.9 Ų48.936%0.35825%0.251SS..SBendtrans5354.7176.2-170.830.8000114.6T56N7-T56 VanDerWaalsContact CG-OG1 3.28Å; N7-T56 WeakPolarHBondContact ND2-CG2 3.5Å; N7-T56 PolarHBondContact ND2-OG1 2.93Å; N7-T56 WeakPolarHBondContact OD1-CB 3.39Å; N7-T56 WeakPolarHBondContact OD1-CG2 3.21Å; N7-T56 PolarHBondContact OD1-N 3.47Å; N7-T56 PolarHBondContact OD1-OG1 3.03Å
8P92.9Very high86.8Confident1 Ų146.4 Ų46.41%0.00624%0.238CC..PPolyproline II helixtrans-71.5158.9176.334.1-33.7000110.8I4 P5 I10 P131 L133I4-P8 HydrophobicContact CG2-CG 3.99Å; P5-P8 WeakPolarHBondContact O-CD 3.32Å; P8-I10 HydrophobicContact CG-CG1 4.21Å; P8-I10 PolarHBondContact O-N 2.94Å; P8-P131 CarbonylContact C-O 3.5Å; P8-P131 VanDerWaalsContact CA-O 3.32Å; P8-P131 WeakPolarHBondContact CA-O 3.39Å; P8-P131 HydrophobicContact CB-CB 4.35Å; P8-L133 HydrophobicContact CB-CB 4.04Å; P8-L133 HydrophobicContact CG-CB 3.88Å; P8-L133 HydrophobicContact CG-CD2 4.4Å
9L96.9Very high87Confident0 Ų048.7 Ų48.70%024%0.244CC..EExtended strand (participates in β ladder)trans-65.5121.1159.7171.463.4000108.2L11 H57 A125 R130 P131 V132 L133 C262 L265L9-L11 HydrophobicContact CD1-CD2 4.23Å; L9-L11 HydrophobicContact CD2-CD1 4.4Å; L9-L11 HydrophobicContact CD2-CD2 4.14Å; L9-L11 HydrophobicContact CD2-CG 4.28Å; L9-L11 HydrophobicContact CG-CD2 4.09Å; L9-L11 HydrophobicContact CG-CG 4.15Å; L9-H57 HydrophobicContact CD1-CB 3.76Å; L9-A125 HydrophobicContact CD2-CB 3.59Å; L9-R130 HydrophobicContact CB-CG 4.45Å; L9-P131 PolarHBondContact N-O 3.41Å; L9-V132 HydrophobicContact CB-CG2 4.47Å; L9-V132 WeakPolarHBondContact O-CA 3.26Å; L9-L133 PolarHBondContact O-N 2.92Å; L9-C262 HydrophobicContact CD2-CB 3.99Å; L9-L265 HydrophobicContact CD1-CB 4.34Å; L9-L265 HydrophobicContact CD1-CD1 4.25Å
10I97.2Very high86.9Confident0 Ų049 Ų490%024%0.242CC..EExtended strand (participates in β ladder)trans-98.1117.4177.7-61.5-168.9000110.4P8 V12 L49 Y53 P55 H57 A58 A59 L133P8-I10 HydrophobicContact CG-CG1 4.21Å; P8-I10 PolarHBondContact O-N 2.94Å; I10-V12 HydrophobicContact CG2-CG2 3.9Å; I10-L49 HydrophobicContact CD1-CG 4.39Å; I10-L49 HydrophobicContact CG2-CD2 3.63Å; I10-L49 HydrophobicContact CG2-CG 4.27Å; I10-Y53 HydrophobicContact CD1-CD2 4.12Å; I10-Y53 HydrophobicContact CD1-CG 4.02Å; I10-P55 HydrophobicContact CB-CB 4.45Å; I10-P55 HydrophobicContact CD1-CB 3.82Å; I10-P55 HydrophobicContact CD1-CG 3.76Å; I10-P55 HydrophobicContact CG1-CB 3.88Å; I10-P55 HydrophobicContact CG1-CG 4.21Å; I10-H57 PolarHBondContact N-O 2.84Å; I10-H57 VanDerWaalsContact N-O 3.09Å; I10-A58 HydrophobicContact CB-CB 4.03Å; I10-A58 CarbonylContact O-C 3.5Å; I10-A58 WeakPolarHBondContact O-CA 3.39Å; I10-A58 WeakPolarHBondContact O-CB 3.41Å; I10-A59 PolarHBondContact O-N 2.96Å; I10-L133 WeakPolarHBondContact CA-O 2.96Å; I10-L133 HydrophobicContact CD1-CD2 4.21Å; I10-L133 HydrophobicContact CG1-CB 4.37Å; I10-L133 HydrophobicContact CG1-CD2 4.35Å
11L98.1Very high87Confident0 Ų046.7 Ų46.70%023%0.231CC..EExtended strand (participates in β ladder)trans-107.8118.7174.1-60.5174.9000108.6L9 A59 I118 L121 A122 V132 L133 I134 S135 L265L9-L11 HydrophobicContact CD1-CD2 4.23Å; L9-L11 HydrophobicContact CD2-CD1 4.4Å; L9-L11 HydrophobicContact CD2-CD2 4.14Å; L9-L11 HydrophobicContact CD2-CG 4.28Å; L9-L11 HydrophobicContact CG-CD2 4.09Å; L9-L11 HydrophobicContact CG-CG 4.15Å; L11-A59 HydrophobicContact CD2-CB 4.12Å; L11-I118 HydrophobicContact CB-CG1 4.47Å; L11-I118 HydrophobicContact CB-CG2 4.12Å; L11-I118 HydrophobicContact CD1-CG2 4.08Å; L11-I118 WeakPolarHBondContact CD1-O 2.92Å; L11-L121 HydrophobicContact CD1-CB 3.84Å; L11-L121 HydrophobicContact CD2-CB 4.15Å; L11-L121 HydrophobicContact CD2-CD1 3.94Å; L11-A122 HydrophobicContact CD1-CB 4Å; L11-V132 HydrophobicContact CD1-CG1 3.91Å; L11-V132 HydrophobicContact CG-CG1 4.3Å; L11-L133 PolarHBondContact N-O 2.71Å; L11-I134 HydrophobicContact CB-CG1 4.42Å; L11-I134 CarbonylContact O-C 3.53Å; L11-I134 WeakPolarHBondContact O-CA 3.44Å; L11-S135 PolarHBondContact O-N 2.92Å; L11-L265 HydrophobicContact CD2-CD1 4.3Å
12V97.9Very high88.5Confident3 Ų338.5 Ų38.52%0.01819%0.189CC..EExtended strand (participates in β ladder)trans-105.6126.7-178.8-174.80000109.5I10 G14 Y17 L46 L49 A59 V60 V61I10-V12 HydrophobicContact CG2-CG2 3.9Å; V12-G14 PolarHBondContact O-N 2.88Å; V12-G14 VanDerWaalsContact O-N 3.09Å; V12-Y17 HydrophobicContact CG1-CD1 3.84Å; V12-Y17 HydrophobicContact CG1-CD2 4.15Å; V12-Y17 HydrophobicContact CG1-CE1 3.72Å; V12-Y17 HydrophobicContact CG1-CE2 4.08Å; V12-Y17 HydrophobicContact CG1-CG 4.08Å; V12-L46 HydrophobicContact CB-CD2 4.31Å; V12-L46 HydrophobicContact CG1-CD2 3.93Å; V12-L46 HydrophobicContact CG2-CD2 4.04Å; V12-L49 HydrophobicContact CG2-CD2 3.57Å; V12-A59 PolarHBondContact N-O 3.15Å; V12-V60 HydrophobicContact CB-CG1 4.31Å; V12-V60 HydrophobicContact CB-CG2 4.3Å; V12-V60 HydrophobicContact CG1-CG1 4.4Å; V12-V61 PolarHBondContact O-N 2.95Å
13D96.9Very high89Confident4 Ų443.5 Ų43.52%0.02121%0.209CC..EExtended strand (participates in β ladder)trans-74.793.8165.9175.6-5.1000109.2S15 S16 Y17 I118 S135 T136D13-S15 VanDerWaalsContact C-N 3.33Å; D13-S15 PolarHBondContact OD1-N 3.28Å; D13-S16 WeakPolarHBondContact OD1-CB 3.5Å; D13-S16 PolarHBondContact OD1-N 3.08Å; D13-S16 WeakPolarHBondContact OD2-CB 3.32Å; D13-Y17 WeakPolarHBondContact O-CD2 3.18Å; D13-Y17 PolarHBondContact O-N 3.49Å; D13-Y17 VanDerWaalsContact O-N 3.12Å; D13-I118 HydrophobicContact CB-CD1 3.93Å; D13-S135 PolarHBondContact N-O 2.97Å; D13-S135 VanDerWaalsContact N-O 3.1Å; D13-T136 PolarHBondContact OD2-OG1 3.4Å; D13-T136 VanDerWaalsContact OD2-OG1 3.06Å
14G95.8Very high89.1Confident0 Ų038.7 Ų38.70%020%0.199CC..Hα-helixtrans-65.8-34.4-179.200000112.6V12 Y17 L18 V61 F62V12-G14 PolarHBondContact O-N 2.88Å; V12-G14 VanDerWaalsContact O-N 3.09Å; G14-Y17 PolarHBondContact O-N 3.48Å; G14-L18 WeakPolarHBondContact O-CB 3.43Å; G14-L18 PolarHBondContact O-N 3.06Å; G14-V61 VanDerWaalsContact CA-O 3.32Å; G14-V61 WeakPolarHBondContact CA-O 3.31Å; G14-V61 PolarHBondContact N-O 3.24Å; G14-F62 VanDerWaalsContact O-CE1 3.26Å; G14-F62 WeakPolarHBondContact O-CE1 3.45Å
15S93.1Very high88.8Confident14 Ų1439.1 Ų39.110%0.09820%0.2CC..Hα-helixtrans-62.6-48.7175.8-75.10000111.5D13 Y17 L18 Y19 D63D13-S15 VanDerWaalsContact C-N 3.33Å; D13-S15 PolarHBondContact OD1-N 3.28Å; S15-Y17 VanDerWaalsContact C-N 3.34Å; S15-Y17 PolarHBondContact O-N 3.43Å; S15-L18 WeakPolarHBondContact O-CB 3.09Å; S15-L18 PolarHBondContact O-N 2.86Å; S15-Y19 WeakPolarHBondContact O-CD2 3.29Å; S15-Y19 PolarHBondContact O-N 3Å; S15-D63 WeakPolarHBondContact CB-OD2 3.3Å; S15-D63 VanDerWaalsContact OG-CG 3.25Å; S15-D63 PolarHBondContact OG-N 3.09Å; S15-D63 PolarHBondContact OG-OD2 3.35Å
16S90.9Very high88.2Confident35 Ų3539.3 Ų39.325%0.24520%0.201CC..Hα-helixtrans-62.6-41.2176.4-177.60000111.8D13 L18 R20D13-S16 WeakPolarHBondContact OD1-CB 3.5Å; D13-S16 PolarHBondContact OD1-N 3.08Å; D13-S16 WeakPolarHBondContact OD2-CB 3.32Å; S16-L18 VanDerWaalsContact C-N 3.34Å; S16-L18 PolarHBondContact O-N 3.02Å; S16-R20 WeakPolarHBondContact O-CB 3.35Å; S16-R20 PolarHBondContact O-N 2.99Å
17Y93.6Very high87.6Confident2 Ų233.4 Ų33.41%0.00818%0.179CC..Hα-helixtrans-59.2-43.9174.1-91.7-143.6000112.2V12 D13 G14 S15 R20 A21 V42 M45 L46 S135 T154V12-Y17 HydrophobicContact CG1-CD1 3.84Å; V12-Y17 HydrophobicContact CG1-CD2 4.15Å; V12-Y17 HydrophobicContact CG1-CE1 3.72Å; V12-Y17 HydrophobicContact CG1-CE2 4.08Å; V12-Y17 HydrophobicContact CG1-CG 4.08Å; D13-Y17 WeakPolarHBondContact O-CD2 3.18Å; D13-Y17 PolarHBondContact O-N 3.49Å; D13-Y17 VanDerWaalsContact O-N 3.12Å; G14-Y17 PolarHBondContact O-N 3.48Å; S15-Y17 VanDerWaalsContact C-N 3.34Å; S15-Y17 PolarHBondContact O-N 3.43Å; Y17-R20 PolarHBondContact O-N 3.18Å; Y17-A21 WeakPolarHBondContact O-CB 3.37Å; Y17-A21 PolarHBondContact O-N 2.88Å; Y17-V42 HydrophobicContact CD1-CG1 4.34Å; Y17-M45 HydrophobicContact CD1-CB 3.78Å; Y17-M45 HydrophobicContact CD1-CE 3.75Å; Y17-M45 HydrophobicContact CD1-SD 4.34Å; Y17-M45 HydrophobicContact CE1-CB 3.39Å; Y17-M45 HydrophobicContact CE1-CE 4.41Å; Y17-M45 HydrophobicContact CE1-CG 4.48Å; Y17-M45 HydrophobicContact CE1-SD 4.47Å; Y17-M45 HydrophobicContact CG-CE 3.79Å; Y17-M45 HydrophobicContact CG-SD 4.46Å; Y17-M45 WeakPolarHBondContact O-CE 3.33Å; Y17-L46 HydrophobicContact CD1-CD2 4.31Å; Y17-L46 HydrophobicContact CD1-CG 4.41Å; Y17-L46 HydrophobicContact CE1-CD2 4.13Å; Y17-L46 HydrophobicContact CE1-CG 4.42Å; Y17-S135 PolarHBondContact OH-OG 3.19Å; Y17-T154 WeakPolarHBondContact OH-CG2 3.33Å; Y17-T154 PolarHBondContact OH-OG1 3.43Å
18L92.7Very high87.4Confident4 Ų430.9 Ų30.92%0.02117%0.166CC..Hα-helixtrans-61-52.2-178.9-178.565.2000112G14 S15 S16 R20 A21 Y22 A38 F62 M84 L88 I92 L95G14-L18 WeakPolarHBondContact O-CB 3.43Å; G14-L18 PolarHBondContact O-N 3.06Å; S15-L18 WeakPolarHBondContact O-CB 3.09Å; S15-L18 PolarHBondContact O-N 2.86Å; S16-L18 VanDerWaalsContact C-N 3.34Å; S16-L18 PolarHBondContact O-N 3.02Å; L18-R20 PolarHBondContact O-N 2.91Å; L18-A21 PolarHBondContact O-N 2.91Å; L18-Y22 WeakPolarHBondContact O-CB 3.27Å; L18-Y22 PolarHBondContact O-N 3.25Å; L18-A38 HydrophobicContact CD1-CB 4.08Å; L18-F62 HydrophobicContact CB-CE1 4.44Å; L18-M84 HydrophobicContact CD2-CE 4.35Å; L18-L88 HydrophobicContact CD1-CD1 3.55Å; L18-L88 HydrophobicContact CD1-CG 4.45Å; L18-L88 HydrophobicContact CD2-CD1 4.32Å; L18-L88 HydrophobicContact CD2-CG 4.38Å; L18-L88 HydrophobicContact CG-CD1 3.7Å; L18-L88 HydrophobicContact CG-CD2 4.41Å; L18-L88 HydrophobicContact CG-CG 4.21Å; L18-I92 HydrophobicContact CD2-CG1 3.99Å; L18-L95 HydrophobicContact CD1-CD2 3.74Å
19Y89.3Confident87Confident90 Ų9033.6 Ų33.635%0.35318%0.182SC..Hα-helixtrans-65.2-39.6178.4-80.6-76.8000112.3S15 A21 Y22 H23 M84 L88S15-Y19 WeakPolarHBondContact O-CD2 3.29Å; S15-Y19 PolarHBondContact O-N 3Å; Y19-A21 PolarHBondContact O-N 3.38Å; Y19-Y22 PolarHBondContact O-N 3.37Å; Y19-H23 PolarHBondContact O-CD2 3.46Å; Y19-H23 PolarHBondContact O-N 2.96Å; Y19-H23 VanDerWaalsContact O-N 3.1Å; Y19-M84 HydrophobicContact CE2-CE 4.16Å; Y19-M84 WeakPolarHBondContact OH-CE 3.44Å; Y19-L88 HydrophobicContact CD1-CD2 3.84Å; Y19-L88 HydrophobicContact CE1-CD2 3.78Å; Y19-L88 HydrophobicContact CG-CD2 4.46Å
20R86.4Confident86.6Confident54 Ų5434 Ų3420%0.20419%0.185CC..Hα-helixtrans-60.8-45.7176.1176.3-179.5146.7-168.8-8.6111.7S16 Y17 L18 H23 A24 M45 T154 M155S16-R20 WeakPolarHBondContact O-CB 3.35Å; S16-R20 PolarHBondContact O-N 2.99Å; Y17-R20 PolarHBondContact O-N 3.18Å; L18-R20 PolarHBondContact O-N 2.91Å; R20-H23 PolarHBondContact O-N 3.27Å; R20-A24 VanDerWaalsContact O-CB 3.23Å; R20-A24 WeakPolarHBondContact O-CB 3.4Å; R20-A24 PolarHBondContact O-N 3.23Å; R20-A24 VanDerWaalsContact O-N 3.11Å; R20-M45 PolarHBondContact NE-SD 2.9Å; R20-M45 PolarHBondContact NH2-SD 3.26Å; R20-T154 PolarHBondContact NH1-OG1 2.84Å; R20-T154 PolarHBondContact NH2-OG1 3.4Å; R20-M155 HydrophobicContact CG-CE 3.75Å
21A87.6Confident85.7Confident1 Ų138.8 Ų38.81%0.00822%0.218CC..Hα-helixtrans-63-44.1176.900000111.3Y17 L18 Y19 H23 A24 F25 A38 V42 M45Y17-A21 WeakPolarHBondContact O-CB 3.37Å; Y17-A21 PolarHBondContact O-N 2.88Å; L18-A21 PolarHBondContact O-N 2.91Å; Y19-A21 PolarHBondContact O-N 3.38Å; A21-H23 VanDerWaalsContact C-N 3.32Å; A21-H23 PolarHBondContact O-N 2.61Å; A21-A24 PolarHBondContact O-N 3.41Å; A21-F25 VanDerWaalsContact O-CD2 3.31Å; A21-F25 WeakPolarHBondContact O-CD2 3.33Å; A21-F25 PolarHBondContact O-N 3.37Å; A21-A38 HydrophobicContact CB-CB 4.46Å; A21-A38 WeakPolarHBondContact CB-O 3.48Å; A21-V42 HydrophobicContact CB-CG2 3.88Å; A21-M45 HydrophobicContact CB-CE 4.03Å
22Y86.8Confident84.9Confident45 Ų4542.3 Ų42.318%0.17625%0.247CC..Hα-helixtrans-58.5-40.3179.4-179.3-110.7000113.5L18 Y19 P85 D87 L88L18-Y22 WeakPolarHBondContact O-CB 3.27Å; L18-Y22 PolarHBondContact O-N 3.25Å; Y19-Y22 PolarHBondContact O-N 3.37Å; Y22-P85 HydrophobicContact CE1-CB 4.36Å; Y22-P85 HydrophobicContact CE1-CG 3.86Å; Y22-D87 WeakPolarHBondContact CE2-OD2 3.33Å; Y22-D87 PolarHBondContact OH-OD1 3.36Å; Y22-D87 PolarHBondContact OH-OD2 3.18Å; Y22-L88 HydrophobicContact CD1-CD2 4.07Å; Y22-L88 HydrophobicContact CD2-CB 4.01Å; Y22-L88 HydrophobicContact CD2-CD1 3.86Å; Y22-L88 HydrophobicContact CD2-CD2 4.42Å; Y22-L88 HydrophobicContact CD2-CG 4.33Å; Y22-L88 HydrophobicContact CE2-CB 4.14Å; Y22-L88 HydrophobicContact CG-CB 4.33Å; Y22-L88 HydrophobicContact CG-CD1 3.91Å; Y22-L88 HydrophobicContact CG-CD2 3.91Å; Y22-L88 HydrophobicContact CG-CG 4.28Å
23H81Confident84.1Confident146 Ų14644.7 Ų44.768%0.67627%0.272SS*.Hα-helixtrans-82.5-20.2178.6-70.5-60.9000114.4Y19 R20 A21Y19-H23 PolarHBondContact O-CD2 3.46Å; Y19-H23 PolarHBondContact O-N 2.96Å; Y19-H23 VanDerWaalsContact O-N 3.1Å; R20-H23 PolarHBondContact O-N 3.27Å; A21-H23 VanDerWaalsContact C-N 3.32Å; A21-H23 PolarHBondContact O-N 2.61Å
24A76Confident83.8Confident73 Ų7347.4 Ų47.460%0.60329%0.285SS*.Hα-helixtrans-87.2-28.5-176.800000113.9R20 A21R20-A24 VanDerWaalsContact O-CB 3.23Å; R20-A24 WeakPolarHBondContact O-CB 3.4Å; R20-A24 PolarHBondContact O-N 3.23Å; R20-A24 VanDerWaalsContact O-N 3.11Å; A21-A24 PolarHBondContact O-N 3.41Å
25F72Confident83.5Confident41 Ų4148.7 Ų48.718%0.1829%0.293CS..SBendtrans-98.1145.4-175.4-75-103000112A21 L28 Y40 P308A21-F25 VanDerWaalsContact O-CD2 3.31Å; A21-F25 WeakPolarHBondContact O-CD2 3.33Å; A21-F25 PolarHBondContact O-N 3.37Å; F25-L28 HydrophobicContact CD1-CD1 4.28Å; F25-Y40 HydrophobicContact CD1-CD1 4.3Å; F25-Y40 AromaticContact CE1-CD1 3.58Å; F25-Y40 HydrophobicContact CE1-CD1 3.58Å; F25-Y40 AromaticContact CE1-CE1 3.99Å; F25-Y40 HydrophobicContact CE1-CE1 3.99Å; F25-Y40 HydrophobicContact CZ-CD1 4.15Å; F25-P308 HydrophobicContact CD1-CG 3.57Å; F25-P308 HydrophobicContact CE1-CB 4.5Å; F25-P308 HydrophobicContact CE1-CG 3.27Å; F25-P308 HydrophobicContact CZ-CG 4.29Å
26P63.5Low83.5Confident55 Ų5548.4 Ų48.436%0.35729%0.29SS..  trans-60.5159.9162.628.2-32.6000110L28P26-L28 HydrophobicContact CG-CD2 4.41Å; P26-L28 PolarHBondContact O-N 2.78Å
27P66.5Low83.5Confident66 Ų6647 Ų4743%0.42928%0.282SS..  trans-63.3101.9177.528-33.3000109.7R835P27-R835 VanDerWaalsContact CG-NH1 3.27Å
28L81.2Confident83.4Confident15 Ų1547 Ų478%0.07928%0.283CS..  trans-94.1135.9171.9-59.9178.5000108.8F25 P26 P35 T36 T311F25-L28 HydrophobicContact CD1-CD1 4.28Å; P26-L28 HydrophobicContact CG-CD2 4.41Å; P26-L28 PolarHBondContact O-N 2.78Å; L28-P35 CarbonylContact O-C 3.38Å; L28-P35 WeakPolarHBondContact O-CA 3.47Å; L28-T36 PolarHBondContact O-N 3.08Å; L28-T36 PolarHBondContact O-OG1 3.23Å; L28-T311 WeakPolarHBondContact CD2-OG1 3.45Å
29T84.7Confident83.4Confident58 Ų5846.9 Ų46.936%0.35628%0.282SS..BIsolated β-bridgetrans-132151.3175.550.80000110.1E34T29-E34 CarbonylContact C-O 3.11Å; T29-E34 WeakPolarHBondContact CA-O 3.42Å; T29-E34 WeakPolarHBondContact CB-O 3.47Å
30N87Confident83.5Confident9 Ų944.9 Ų44.95%0.04827%0.274CS..  trans-80.6175.7164.668.9-2.6000111A32 G33 E34 T36 K281 E283N30-A32 PolarHBondContact O-N 2.78Å; N30-A32 VanDerWaalsContact O-N 3.17Å; N30-A32 PolarHBondContact OD1-N 2.85Å; N30-G33 PolarHBondContact O-N 3.32Å; N30-G33 PolarHBondContact OD1-N 3.11Å; N30-E34 PolarHBondContact N-O 3.38Å; N30-E34 PolarHBondContact ND2-OE2 3.08Å; N30-E34 WeakPolarHBondContact OD1-CA 3.4Å; N30-E34 VanDerWaalsContact OD1-CB 3.29Å; N30-E34 WeakPolarHBondContact OD1-CB 3.35Å; N30-E34 PolarHBondContact OD1-N 2.97Å; N30-E34 PolarHBondContact OD1-O 3.46Å; N30-T36 HydrophobicContact CB-CG2 4.16Å; N30-K281 PolarHBondContact ND2-O 3.19Å; N30-K281 VanDerWaalsContact ND2-O 3.1Å; N30-E283 WeakPolarHBondContact CA-OE2 3.4Å; N30-E283 HydrophobicContact CB-CB 4.4Å; N30-E283 HydrophobicContact CB-CG 4.07Å
31S78.6Confident83.7Confident100 Ų10042.3 Ų42.370%0.69926%0.264SS*.THydrogen-bonded Turntrans-54.9-26.5174.6560000114.9G33 E283S31-G33 PolarHBondContact O-N 3.13Å; S31-E283 WeakPolarHBondContact CB-OE1 3.35Å; S31-E283 PolarHBondContact N-OE2 3.26Å; S31-E283 PolarHBondContact OG-OE1 3.36Å
32A81.8Confident84Confident74 Ų7442.3 Ų42.361%0.61226%0.264SS*.THydrogen-bonded Turntrans-80.1-0.7175.300000113.6N30 E34N30-A32 PolarHBondContact O-N 2.78Å; N30-A32 VanDerWaalsContact O-N 3.17Å; N30-A32 PolarHBondContact OD1-N 2.85Å; A32-E34 VanDerWaalsContact C-N 3.25Å; A32-E34 HydrophobicContact CB-CG 4.28Å; A32-E34 PolarHBondContact O-N 3.08Å
33G80.9Confident84.3Confident52 Ų5240.1 Ų40.154%0.53626%0.255SS..  trans76.19.1-175.800000114.1N30 S31N30-G33 PolarHBondContact O-N 3.32Å; N30-G33 PolarHBondContact OD1-N 3.11Å; S31-G33 PolarHBondContact O-N 3.13Å
34E90.1Very high84.8Confident62 Ų6235.5 Ų35.529%0.2924%0.235SC..  trans-73.3133.3174.4-58.9174102.900109.2T29 N30 A32 T36 K281 Y282T29-E34 CarbonylContact C-O 3.11Å; T29-E34 WeakPolarHBondContact CA-O 3.42Å; T29-E34 WeakPolarHBondContact CB-O 3.47Å; N30-E34 PolarHBondContact N-O 3.38Å; N30-E34 PolarHBondContact ND2-OE2 3.08Å; N30-E34 WeakPolarHBondContact OD1-CA 3.4Å; N30-E34 VanDerWaalsContact OD1-CB 3.29Å; N30-E34 WeakPolarHBondContact OD1-CB 3.35Å; N30-E34 PolarHBondContact OD1-N 2.97Å; N30-E34 PolarHBondContact OD1-O 3.46Å; A32-E34 VanDerWaalsContact C-N 3.25Å; A32-E34 HydrophobicContact CB-CG 4.28Å; A32-E34 PolarHBondContact O-N 3.08Å; E34-T36 WeakPolarHBondContact O-CG2 2.95Å; E34-K281 IonicContact OE1-NZ 3.78Å; E34-Y282 HydrophobicContact CB-CE1 4.4Å
35P90.7Very high85.5Confident27 Ų2733.2 Ų33.218%0.17521%0.213CC..BIsolated β-bridgetrans-70.2138.5177.130.3-35000110.8L28 D87 A90 Q91L28-P35 CarbonylContact O-C 3.38Å; L28-P35 WeakPolarHBondContact O-CA 3.47Å; P35-D87 HydrophobicContact CB-CB 4.04Å; P35-D87 HydrophobicContact CG-CB 3.9Å; P35-D87 WeakPolarHBondContact CG-O 3.19Å; P35-A90 HydrophobicContact CG-CB 4.26Å; P35-Q91 HydrophobicContact CB-CG 4.39Å; P35-Q91 HydrophobicContact CG-CG 4.14Å; P35-Q91 VanDerWaalsContact O-CD 3.24Å; P35-Q91 WeakPolarHBondContact O-CG 3.44Å
36T92.9Very high86.6Confident7 Ų731.3 Ų31.34%0.04320%0.204CC..  trans-130.6-12.4-173.462.70000114.8L28 N30 E34 A38 M39 Y40 Q91 Y282 F284L28-T36 PolarHBondContact O-N 3.08Å; L28-T36 PolarHBondContact O-OG1 3.23Å; N30-T36 HydrophobicContact CB-CG2 4.16Å; E34-T36 WeakPolarHBondContact O-CG2 2.95Å; T36-A38 PolarHBondContact O-N 2.89Å; T36-M39 HydrophobicContact CG2-CE 4.1Å; T36-M39 PolarHBondContact O-N 3.43Å; T36-Y40 PolarHBondContact O-N 3.12Å; T36-Q91 PolarHBondContact O-OE1 3.02Å; T36-Y282 HydrophobicContact CG2-CD1 3.84Å; T36-Y282 HydrophobicContact CG2-CG 4.41Å; T36-F284 HydrophobicContact CG2-CE1 4.41Å
37G90.3Very high87.9Confident7 Ų730.5 Ų30.57%0.07219%0.194CC..Hα-helixtrans-62.6-38.7-170.300000115G41G37-G41 PolarHBondContact O-N 3.07Å
38A91.3Very high88.9Confident2 Ų230.2 Ų30.22%0.01719%0.194CC..Hα-helixtrans-69.7-42.7179.500000110.8L18 A21 T36 Y40 G41 V42 L88L18-A38 HydrophobicContact CD1-CB 4.08Å; A21-A38 HydrophobicContact CB-CB 4.46Å; A21-A38 WeakPolarHBondContact CB-O 3.48Å; T36-A38 PolarHBondContact O-N 2.89Å; A38-Y40 PolarHBondContact O-N 2.97Å; A38-G41 PolarHBondContact O-N 3.22Å; A38-V42 WeakPolarHBondContact O-CG2 3.41Å; A38-V42 PolarHBondContact O-N 2.99Å; A38-L88 HydrophobicContact CB-CD1 3.53Å
39M93.8Very high89.3Confident1 Ų129.6 Ų29.61%0.00519%0.19CC..Hα-helixtrans-60.2-47.1176.1-53-170.4-76.900111.3T36 G41 V42 L43 Q91 P94 L95 M98 Y282 F284T36-M39 HydrophobicContact CG2-CE 4.1Å; T36-M39 PolarHBondContact O-N 3.43Å; M39-G41 VanDerWaalsContact C-N 3.31Å; M39-G41 PolarHBondContact O-N 3.05Å; M39-V42 PolarHBondContact O-N 3.27Å; M39-L43 WeakPolarHBondContact O-CB 3.37Å; M39-L43 VanDerWaalsContact O-CG 3.29Å; M39-L43 WeakPolarHBondContact O-CG 3.26Å; M39-L43 PolarHBondContact O-N 3.27Å; M39-Q91 HydrophobicContact CE-CG 4.1Å; M39-Q91 HydrophobicContact CG-CB 3.61Å; M39-Q91 HydrophobicContact CG-CG 3.85Å; M39-Q91 HydrophobicContact SD-CB 4.1Å; M39-Q91 HydrophobicContact SD-CG 4.2Å; M39-P94 HydrophobicContact SD-CB 3.7Å; M39-P94 HydrophobicContact SD-CG 4.24Å; M39-L95 HydrophobicContact CG-CB 4.09Å; M39-M98 HydrophobicContact CB-SD 4.38Å; M39-M98 HydrophobicContact SD-CE 4.28Å; M39-M98 HydrophobicContact SD-SD 4.35Å; M39-Y282 HydrophobicContact CE-CD1 3.57Å; M39-Y282 HydrophobicContact CE-CD2 4.29Å; M39-Y282 HydrophobicContact CE-CE1 3.78Å; M39-Y282 HydrophobicContact CE-CE2 4.47Å; M39-Y282 HydrophobicContact CE-CG 3.84Å; M39-F284 HydrophobicContact CB-CZ 4.32Å
40Y91Very high89.6Confident48 Ų4828 Ų2819%0.18818%0.179CC..Hα-helixtrans-60.2-41.2178-172.9-91.6000112F25 T36 A38 N44 F284 W287F25-Y40 HydrophobicContact CD1-CD1 4.3Å; F25-Y40 AromaticContact CE1-CD1 3.58Å; F25-Y40 HydrophobicContact CE1-CD1 3.58Å; F25-Y40 AromaticContact CE1-CE1 3.99Å; F25-Y40 HydrophobicContact CE1-CE1 3.99Å; F25-Y40 HydrophobicContact CZ-CD1 4.15Å; T36-Y40 PolarHBondContact O-N 3.12Å; A38-Y40 PolarHBondContact O-N 2.97Å; Y40-N44 WeakPolarHBondContact CD1-ND2 3.15Å; Y40-N44 WeakPolarHBondContact CE1-ND2 3.46Å; Y40-N44 WeakPolarHBondContact O-CB 3.12Å; Y40-N44 PolarHBondContact O-N 3Å; Y40-N44 PolarHBondContact O-ND2 2.68Å; Y40-F284 AromaticContact CD2-CD1 3.8Å; Y40-F284 HydrophobicContact CD2-CD1 3.8Å; Y40-F284 AromaticContact CD2-CE1 3.89Å; Y40-F284 HydrophobicContact CD2-CE1 3.89Å; Y40-F284 HydrophobicContact CD2-CG 4.19Å; Y40-F284 HydrophobicContact CD2-CZ 4.37Å; Y40-F284 HydrophobicContact CG-CE1 4.39Å; Y40-W287 HydrophobicContact CD1-CH2 4.42Å; Y40-W287 HydrophobicContact CD2-CE3 4.19Å; Y40-W287 AromaticContact CD2-CH2 3.27Å; Y40-W287 HydrophobicContact CD2-CH2 3.27Å; Y40-W287 AromaticContact CD2-CZ2 3.71Å; Y40-W287 HydrophobicContact CD2-CZ2 3.71Å; Y40-W287 AromaticContact CD2-CZ3 3.53Å; Y40-W287 HydrophobicContact CD2-CZ3 3.53Å; Y40-W287 HydrophobicContact CE1-CZ2 4.41Å; Y40-W287 HydrophobicContact CE2-CD2 4.14Å; Y40-W287 AromaticContact CE2-CE2 3.71Å; Y40-W287 HydrophobicContact CE2-CE3 4.23Å; Y40-W287 AromaticContact CE2-CH2 3.48Å; Y40-W287 HydrophobicContact CE2-CH2 3.48Å; Y40-W287 VanDerWaalsContact CE2-CH2 3.48Å; Y40-W287 AromaticContact CE2-CZ2 3.37Å; Y40-W287 HydrophobicContact CE2-CZ2 3.37Å; Y40-W287 AromaticContact CE2-CZ3 3.91Å; Y40-W287 HydrophobicContact CE2-CZ3 3.91Å; Y40-W287 AromaticContact CG-CH2 3.78Å; Y40-W287 HydrophobicContact CG-CH2 3.78Å; Y40-W287 HydrophobicContact CG-CZ2 4.34Å; Y40-W287 HydrophobicContact CG-CZ3 4.3Å; Y40-W287 AromaticContact CZ-CZ2 3.77Å; Y40-W287 WeakPolarHBondContact O-CH2 3.41Å
41G89.7Confident89.6Confident0 Ų029.7 Ų29.70%019%0.188CC..Hα-helixtrans-63.5-49.2175.600000112.8G37 A38 M39 N44 M45G37-G41 PolarHBondContact O-N 3.07Å; A38-G41 PolarHBondContact O-N 3.22Å; M39-G41 VanDerWaalsContact C-N 3.31Å; M39-G41 PolarHBondContact O-N 3.05Å; G41-N44 PolarHBondContact O-N 3.25Å; G41-M45 WeakPolarHBondContact O-CG 3.35Å; G41-M45 PolarHBondContact O-N 2.88Å; G41-M45 VanDerWaalsContact O-N 3.11Å
42V94Very high89.9Confident0 Ų029.5 Ų29.50%018%0.176CC..Hα-helixtrans-61.1-47.6-179.6176.90000111.5Y17 A21 A38 M39 N44 M45 L46 L95Y17-V42 HydrophobicContact CD1-CG1 4.34Å; A21-V42 HydrophobicContact CB-CG2 3.88Å; A38-V42 WeakPolarHBondContact O-CG2 3.41Å; A38-V42 PolarHBondContact O-N 2.99Å; M39-V42 PolarHBondContact O-N 3.27Å; V42-N44 VanDerWaalsContact C-N 3.32Å; V42-N44 PolarHBondContact O-N 3.12Å; V42-M45 HydrophobicContact CB-CE 4.42Å; V42-M45 HydrophobicContact CG2-CE 4.13Å; V42-M45 PolarHBondContact O-N 2.82Å; V42-M45 VanDerWaalsContact O-N 3.12Å; V42-L46 HydrophobicContact CG1-CD1 3.91Å; V42-L46 HydrophobicContact CG1-CG 4.26Å; V42-L46 WeakPolarHBondContact O-CG 3.25Å; V42-L46 PolarHBondContact O-N 3.21Å; V42-L95 HydrophobicContact CB-CD1 3.86Å; V42-L95 HydrophobicContact CB-CD2 4.13Å; V42-L95 HydrophobicContact CG1-CD1 3.77Å; V42-L95 HydrophobicContact CG1-CD2 4.08Å; V42-L95 HydrophobicContact CG1-CG 4.47Å; V42-L95 HydrophobicContact CG2-CD2 4.01Å
43L94Very high90.2Very high0 Ų028 Ų280%015%0.154CC..Hα-helixtrans-62.1-38.3179.9-68.4176.6000112.6M39 R47 L95 M98 M102 F279 F284 W287M39-L43 WeakPolarHBondContact O-CB 3.37Å; M39-L43 VanDerWaalsContact O-CG 3.29Å; M39-L43 WeakPolarHBondContact O-CG 3.26Å; M39-L43 PolarHBondContact O-N 3.27Å; L43-R47 WeakPolarHBondContact O-CB 3.39Å; L43-R47 PolarHBondContact O-N 2.87Å; L43-L95 HydrophobicContact CD2-CD1 4.33Å; L43-L95 HydrophobicContact CG-CD1 4.35Å; L43-M98 HydrophobicContact CD1-CB 4.1Å; L43-M98 HydrophobicContact CD1-CG 4.3Å; L43-M98 HydrophobicContact CD1-SD 3.49Å; L43-M98 WeakPolarHBondContact CD1-SD 3.23Å; L43-M98 HydrophobicContact CD2-CB 3.86Å; L43-M98 HydrophobicContact CG-SD 4.5Å; L43-M102 HydrophobicContact CD2-CG 4.37Å; L43-M102 HydrophobicContact CD2-SD 3.38Å; L43-M102 WeakPolarHBondContact CD2-SD 3.2Å; L43-F279 HydrophobicContact CD1-CE1 3.85Å; L43-F279 HydrophobicContact CD1-CZ 4.38Å; L43-F284 HydrophobicContact CD1-CE2 4.28Å; L43-W287 HydrophobicContact CB-CH2 3.66Å; L43-W287 HydrophobicContact CB-CZ3 3.82Å; L43-W287 HydrophobicContact CD1-CE3 4.35Å; L43-W287 HydrophobicContact CD1-CH2 4.26Å; L43-W287 HydrophobicContact CD1-CZ3 3.57Å; L43-W287 HydrophobicContact CG-CZ3 4.37Å
44N89.9Confident90.6Very high48 Ų4833.2 Ų33.226%0.25716%0.162SC..Hα-helixtrans-62.6-43.1173.2-94.4-41.3000112.5Y40 G41 V42 R47 S48 W287Y40-N44 WeakPolarHBondContact CD1-ND2 3.15Å; Y40-N44 WeakPolarHBondContact CE1-ND2 3.46Å; Y40-N44 WeakPolarHBondContact O-CB 3.12Å; Y40-N44 PolarHBondContact O-N 3Å; Y40-N44 PolarHBondContact O-ND2 2.68Å; G41-N44 PolarHBondContact O-N 3.25Å; V42-N44 VanDerWaalsContact C-N 3.32Å; V42-N44 PolarHBondContact O-N 3.12Å; N44-R47 PolarHBondContact O-N 2.71Å; N44-S48 WeakPolarHBondContact O-CB 3.42Å; N44-S48 PolarHBondContact O-N 3.25Å; N44-W287 WeakPolarHBondContact OD1-CZ2 3.46Å
45M91.3Very high90.7Very high25 Ų2530.7 Ų30.712%0.12315%0.151CC..Hα-helixtrans-65.5-43.7179.3-66.6-177.4-64.800111.3Y17 R20 A21 G41 V42 S48 L49Y17-M45 HydrophobicContact CD1-CB 3.78Å; Y17-M45 HydrophobicContact CD1-CE 3.75Å; Y17-M45 HydrophobicContact CD1-SD 4.34Å; Y17-M45 HydrophobicContact CE1-CB 3.39Å; Y17-M45 HydrophobicContact CE1-CE 4.41Å; Y17-M45 HydrophobicContact CE1-CG 4.48Å; Y17-M45 HydrophobicContact CE1-SD 4.47Å; Y17-M45 HydrophobicContact CG-CE 3.79Å; Y17-M45 HydrophobicContact CG-SD 4.46Å; Y17-M45 WeakPolarHBondContact O-CE 3.33Å; R20-M45 PolarHBondContact NE-SD 2.9Å; R20-M45 PolarHBondContact NH2-SD 3.26Å; A21-M45 HydrophobicContact CB-CE 4.03Å; G41-M45 WeakPolarHBondContact O-CG 3.35Å; G41-M45 PolarHBondContact O-N 2.88Å; G41-M45 VanDerWaalsContact O-N 3.11Å; V42-M45 HydrophobicContact CB-CE 4.42Å; V42-M45 HydrophobicContact CG2-CE 4.13Å; V42-M45 PolarHBondContact O-N 2.82Å; V42-M45 VanDerWaalsContact O-N 3.12Å; M45-S48 PolarHBondContact O-N 3.04Å; M45-L49 WeakPolarHBondContact O-CB 3.11Å; M45-L49 PolarHBondContact O-N 2.99Å
46L94.4Very high90.9Very high1 Ų132.5 Ų32.51%0.00516%0.162CC..Hα-helixtrans-62.5-48174.7-69.4174.7000111.4V12 Y17 V42 S48 L49 I50 V60 V99 M102 L104V12-L46 HydrophobicContact CB-CD2 4.31Å; V12-L46 HydrophobicContact CG1-CD2 3.93Å; V12-L46 HydrophobicContact CG2-CD2 4.04Å; Y17-L46 HydrophobicContact CD1-CD2 4.31Å; Y17-L46 HydrophobicContact CD1-CG 4.41Å; Y17-L46 HydrophobicContact CE1-CD2 4.13Å; Y17-L46 HydrophobicContact CE1-CG 4.42Å; V42-L46 HydrophobicContact CG1-CD1 3.91Å; V42-L46 HydrophobicContact CG1-CG 4.26Å; V42-L46 WeakPolarHBondContact O-CG 3.25Å; V42-L46 PolarHBondContact O-N 3.21Å; L46-S48 VanDerWaalsContact C-N 3.33Å; L46-S48 PolarHBondContact O-N 3.02Å; L46-L49 PolarHBondContact O-N 2.85Å; L46-L49 VanDerWaalsContact O-N 3.16Å; L46-I50 WeakPolarHBondContact O-CG1 3.36Å; L46-I50 PolarHBondContact O-N 2.88Å; L46-V60 HydrophobicContact CD1-CG2 4.25Å; L46-V60 HydrophobicContact CD2-CG2 3.8Å; L46-V99 HydrophobicContact CD1-CG2 3.71Å; L46-M102 HydrophobicContact CB-CE 3.9Å; L46-M102 HydrophobicContact CB-SD 4.36Å; L46-M102 HydrophobicContact CD1-SD 4.29Å; L46-L104 HydrophobicContact CD1-CD1 4.35Å; L46-L104 HydrophobicContact CD2-CD1 4.45Å
47R90.9Very high91Very high38 Ų3833.1 Ų33.114%0.14317%0.165CC..Hα-helixtrans-54.8-48.8176.3178.5177.2177.9-174.64.6111.2L43 N44 L49 M51 D290 W296 L297L43-R47 WeakPolarHBondContact O-CB 3.39Å; L43-R47 PolarHBondContact O-N 2.87Å; N44-R47 PolarHBondContact O-N 2.71Å; R47-L49 PolarHBondContact O-N 3.26Å; R47-M51 HydrophobicContact CG-CG 4.45Å; R47-M51 HydrophobicContact CG-SD 3.64Å; R47-M51 VanDerWaalsContact O-CB 3.3Å; R47-M51 WeakPolarHBondContact O-CB 3.2Å; R47-M51 WeakPolarHBondContact O-CG 3.39Å; R47-M51 PolarHBondContact O-N 2.83Å; R47-D290 IonicContact CZ-OD2 2.75Å; R47-D290 IonicContact NH1-OD2 3.34Å; R47-D290 PolarHBondContact NH1-OD2 3.05Å; R47-D290 IonicContact NH2-OD2 2.74Å; R47-D290 PolarHBondContact NH2-OD2 2.73Å; R47-W296 PolarHBondContact NE-O 2.95Å; R47-W296 PolarHBondContact NH2-O 3.4Å; R47-L297 HydrophobicContact CG-CD2 4.15Å
48S87.7Confident91.4Very high60 Ų6033 Ų3342%0.4216%0.162SC..Hα-helixtrans-60-44.8177.8-171.20000111.9N44 M45 L46 M51 Q52N44-S48 WeakPolarHBondContact O-CB 3.42Å; N44-S48 PolarHBondContact O-N 3.25Å; M45-S48 PolarHBondContact O-N 3.04Å; L46-S48 VanDerWaalsContact C-N 3.33Å; L46-S48 PolarHBondContact O-N 3.02Å; S48-M51 PolarHBondContact O-N 3.44Å; S48-Q52 VanDerWaalsContact O-CB 3.24Å; S48-Q52 WeakPolarHBondContact O-CB 3.31Å; S48-Q52 PolarHBondContact O-N 3.03Å
49L90.2Very high91.7Very high2 Ų232.9 Ų32.91%0.0116%0.162CC..Hα-helixtrans-64.5-48.6-179.2-173.869.2000111.8I10 V12 M45 L46 R47 M51 Q52 Y53 T154I10-L49 HydrophobicContact CD1-CG 4.39Å; I10-L49 HydrophobicContact CG2-CD2 3.63Å; I10-L49 HydrophobicContact CG2-CG 4.27Å; V12-L49 HydrophobicContact CG2-CD2 3.57Å; M45-L49 WeakPolarHBondContact O-CB 3.11Å; M45-L49 PolarHBondContact O-N 2.99Å; L46-L49 PolarHBondContact O-N 2.85Å; L46-L49 VanDerWaalsContact O-N 3.16Å; R47-L49 PolarHBondContact O-N 3.26Å; L49-M51 PolarHBondContact O-N 3.41Å; L49-Q52 PolarHBondContact O-N 3.17Å; L49-Y53 HydrophobicContact CD1-CD2 3.67Å; L49-Y53 HydrophobicContact CD1-CE2 3.68Å; L49-Y53 HydrophobicContact CG-CD2 4.38Å; L49-Y53 WeakPolarHBondContact O-CD2 3.3Å; L49-Y53 PolarHBondContact O-N 3.26Å; L49-Y53 VanDerWaalsContact O-N 3.09Å; L49-T154 HydrophobicContact CD1-CG2 3.96Å
50I90.4Very high91.9Very high24 Ų2432.9 Ų32.912%0.12316%0.162CC..Hα-helixtrans-63-41.8178.3-64.1-58.6000111L46 Q52 K54 P55 A58 L104L46-I50 WeakPolarHBondContact O-CG1 3.36Å; L46-I50 PolarHBondContact O-N 2.88Å; I50-Q52 VanDerWaalsContact C-N 3.33Å; I50-Q52 PolarHBondContact O-N 3.29Å; I50-K54 WeakPolarHBondContact O-CA 3.33Å; I50-K54 PolarHBondContact O-N 3.02Å; I50-P55 HydrophobicContact CD1-CG 3.56Å; I50-A58 HydrophobicContact CD1-CB 4.47Å; I50-L104 HydrophobicContact CD1-CD2 3.77Å; I50-L104 HydrophobicContact CG1-CD1 4.41Å; I50-L104 HydrophobicContact CG1-CD2 4.26Å
51M86.7Confident92.2Very high46 Ų4630.6 Ų30.623%0.22715%0.153CC..Hα-helixtrans-68.3-33.2178.9-72176.365.900112.9R47 S48 L49 L297 Q298 A299R47-M51 HydrophobicContact CG-CG 4.45Å; R47-M51 HydrophobicContact CG-SD 3.64Å; R47-M51 VanDerWaalsContact O-CB 3.3Å; R47-M51 WeakPolarHBondContact O-CB 3.2Å; R47-M51 WeakPolarHBondContact O-CG 3.39Å; R47-M51 PolarHBondContact O-N 2.83Å; S48-M51 PolarHBondContact O-N 3.44Å; L49-M51 PolarHBondContact O-N 3.41Å; M51-L297 HydrophobicContact CG-CD2 4.41Å; M51-Q298 WeakPolarHBondContact CE-O 3.44Å; M51-A299 VanDerWaalsContact CE-CA 3.46Å; M51-A299 HydrophobicContact CE-CB 4.3Å
52Q85.7Confident92.5Very high95 Ų9530.9 Ų30.944%0.44415%0.154SC..Hα-helixtrans-72.3-44.1-180-178.7174.1-7.700112.2S48 L49 I50S48-Q52 VanDerWaalsContact O-CB 3.24Å; S48-Q52 WeakPolarHBondContact O-CB 3.31Å; S48-Q52 PolarHBondContact O-N 3.03Å; L49-Q52 PolarHBondContact O-N 3.17Å; I50-Q52 VanDerWaalsContact C-N 3.33Å; I50-Q52 PolarHBondContact O-N 3.29Å
53Y88.7Confident92.5Very high42 Ų4234.3 Ų34.317%0.16517%0.173CC..Hα-helixtrans-105-18.2-172.2-66.5-75.4000114.7I4 I10 L49 L133 I152I4-Y53 HydrophobicContact CB-CE1 4.19Å; I4-Y53 HydrophobicContact CD1-CE1 3.51Å; I4-Y53 WeakPolarHBondContact CD1-OH 3.18Å; I4-Y53 HydrophobicContact CG1-CE1 4.45Å; I4-Y53 HydrophobicContact CG2-CD1 4.18Å; I4-Y53 HydrophobicContact CG2-CE1 3.9Å; I10-Y53 HydrophobicContact CD1-CD2 4.12Å; I10-Y53 HydrophobicContact CD1-CG 4.02Å; L49-Y53 HydrophobicContact CD1-CD2 3.67Å; L49-Y53 HydrophobicContact CD1-CE2 3.68Å; L49-Y53 HydrophobicContact CG-CD2 4.38Å; L49-Y53 WeakPolarHBondContact O-CD2 3.3Å; L49-Y53 PolarHBondContact O-N 3.26Å; L49-Y53 VanDerWaalsContact O-N 3.09Å; Y53-L133 HydrophobicContact CD1-CD2 4.16Å; Y53-L133 HydrophobicContact CD2-CD2 4.08Å; Y53-L133 HydrophobicContact CE1-CD2 4.02Å; Y53-L133 HydrophobicContact CE2-CD2 3.94Å; Y53-L133 HydrophobicContact CG-CD2 4.2Å; Y53-I152 HydrophobicContact CE2-CD1 4.14Å; Y53-I152 WeakPolarHBondContact OH-CD1 3.37Å
54K89.1Confident92.3Very high162 Ų16235.5 Ų35.570%0.70418%0.182SC*.  trans45.253.9-177.1-58.4-180-1791790112.6I50I50-K54 WeakPolarHBondContact O-CA 3.33Å; I50-K54 PolarHBondContact O-N 3.02Å
55P92.4Very high92.1Very high9 Ų941.8 Ų41.86%0.05821%0.207CC..  trans-67.5142.8-176.733-38.7000110.9I10 I50 A58 V267I10-P55 HydrophobicContact CB-CB 4.45Å; I10-P55 HydrophobicContact CD1-CB 3.82Å; I10-P55 HydrophobicContact CD1-CG 3.76Å; I10-P55 HydrophobicContact CG1-CB 3.88Å; I10-P55 HydrophobicContact CG1-CG 4.21Å; I50-P55 HydrophobicContact CD1-CG 3.56Å; P55-A58 HydrophobicContact CG-CB 4.27Å; P55-V267 HydrophobicContact CG-CG2 4.37Å
56T93.8Very high91.7Very high66 Ų6643.8 Ų43.841%0.40523%0.234SC..SBendtrans-79.7-24.1166.554.60000111.8N7 V267N7-T56 VanDerWaalsContact CG-OG1 3.28Å; N7-T56 WeakPolarHBondContact ND2-CG2 3.5Å; N7-T56 PolarHBondContact ND2-OG1 2.93Å; N7-T56 WeakPolarHBondContact OD1-CB 3.39Å; N7-T56 WeakPolarHBondContact OD1-CG2 3.21Å; N7-T56 PolarHBondContact OD1-N 3.47Å; N7-T56 PolarHBondContact OD1-OG1 3.03Å; T56-V267 PolarHBondContact O-N 2.9Å
57H96.8Very high91.4Very high20 Ų2051.3 Ų51.39%0.09327%0.267CS..BIsolated β-bridgetrans-133.8130.8-179.7-60.955000110.3L9 I10 R130 E263 L265L9-H57 HydrophobicContact CD1-CB 3.76Å; I10-H57 PolarHBondContact N-O 2.84Å; I10-H57 VanDerWaalsContact N-O 3.09Å; H57-R130 PolarHBondContact CD2-NH1 2.98Å; H57-R130 VanDerWaalsContact CD2-NH1 3.28Å; H57-R130 PolarHBondContact CE1-NH1 3.27Å; H57-R130 PolarHBondContact CE1-NH2 3.31Å; H57-R130 PolarHBondContact ND1-NH1 3.2Å; H57-R130 PolarHBondContact NE2-NH1 3.12Å; H57-R130 PolarHBondContact NE2-NH2 3.44Å; H57-E263 PolarHBondContact CD2-O 3.31Å; H57-E263 PolarHBondContact NE2-O 3.16Å; H57-L265 CarbonylContact C-O 3.48Å; H57-L265 WeakPolarHBondContact CA-O 3.45Å; H57-L265 VanDerWaalsContact CB-O 3.32Å; H57-L265 WeakPolarHBondContact CB-O 3.33Å
58A97Very high91.5Very high3 Ų350.2 Ų50.23%0.02526%0.264CS..EExtended strand (participates in β ladder)trans-155.4156.9177.200000111.1I10 I50 P55 L104 P105 L265 V267I10-A58 HydrophobicContact CB-CB 4.03Å; I10-A58 CarbonylContact O-C 3.5Å; I10-A58 WeakPolarHBondContact O-CA 3.39Å; I10-A58 WeakPolarHBondContact O-CB 3.41Å; I50-A58 HydrophobicContact CD1-CB 4.47Å; P55-A58 HydrophobicContact CG-CB 4.27Å; A58-L104 HydrophobicContact CB-CD2 4.31Å; A58-P105 VanDerWaalsContact O-CD 3.25Å; A58-P105 WeakPolarHBondContact O-CD 3.45Å; A58-P105 WeakPolarHBondContact O-CG 2.97Å; A58-L265 PolarHBondContact N-O 3.46Å; A58-V267 HydrophobicContact CB-CG2 3.63Å
59A97.5Very high91.7Very high0 Ų050.1 Ų50.10%026%0.257CS..EExtended strand (participates in β ladder)trans-142.2145.516800000111.1I10 L11 V12 P105 L107 L265I10-A59 PolarHBondContact O-N 2.96Å; L11-A59 HydrophobicContact CD2-CB 4.12Å; V12-A59 PolarHBondContact N-O 3.15Å; A59-P105 WeakPolarHBondContact CA-O 3.32Å; A59-P105 HydrophobicContact CB-CB 4.36Å; A59-L107 HydrophobicContact CB-CD1 4.46Å; A59-L265 HydrophobicContact CB-CD1 3.87Å; A59-L265 HydrophobicContact CB-CD2 4.11Å; A59-L265 HydrophobicContact CB-CG 4.41Å
60V98Very high91.9Very high1 Ų150.3 Ų50.31%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-106.3118.9169.7-169.50000108V12 L46 F62 V99 L104 P105 L106 L107V12-V60 HydrophobicContact CB-CG1 4.31Å; V12-V60 HydrophobicContact CB-CG2 4.3Å; V12-V60 HydrophobicContact CG1-CG1 4.4Å; L46-V60 HydrophobicContact CD1-CG2 4.25Å; L46-V60 HydrophobicContact CD2-CG2 3.8Å; V60-F62 HydrophobicContact CB-CE2 4.32Å; V60-F62 HydrophobicContact CG1-CD2 4.13Å; V60-F62 HydrophobicContact CG1-CE2 3.44Å; V60-F62 VanDerWaalsContact CG1-CE2 3.44Å; V60-F62 HydrophobicContact CG1-CZ 4.01Å; V60-V99 HydrophobicContact CB-CG1 3.9Å; V60-V99 HydrophobicContact CG1-CG1 4.45Å; V60-V99 HydrophobicContact CG2-CG1 3.69Å; V60-L104 HydrophobicContact CG2-CB 4.34Å; V60-L104 HydrophobicContact CG2-CD1 4.08Å; V60-P105 PolarHBondContact N-O 2.99Å; V60-L106 VanDerWaalsContact O-CA 3.32Å; V60-L106 WeakPolarHBondContact O-CA 3.49Å; V60-L107 PolarHBondContact O-N 3.26Å
61V98Very high91.9Very high0 Ų051.3 Ų51.30%026%0.263CS..EExtended strand (participates in β ladder)trans-109.3129.7-174.1-169.90000109.3V12 G14 L107 A114 V117 I118V12-V61 PolarHBondContact O-N 2.95Å; G14-V61 VanDerWaalsContact CA-O 3.32Å; G14-V61 WeakPolarHBondContact CA-O 3.31Å; G14-V61 PolarHBondContact N-O 3.24Å; V61-L107 WeakPolarHBondContact CA-O 3.24Å; V61-L107 HydrophobicContact CG1-CB 4.41Å; V61-L107 HydrophobicContact CG2-CB 4.42Å; V61-A114 HydrophobicContact CB-CB 4.38Å; V61-A114 HydrophobicContact CG1-CB 3.8Å; V61-V117 HydrophobicContact CG1-CB 3.77Å; V61-V117 HydrophobicContact CG1-CG1 3.74Å; V61-V117 HydrophobicContact CG1-CG2 4.45Å; V61-V117 HydrophobicContact CG2-CG1 4.31Å; V61-I118 HydrophobicContact CB-CD1 4.13Å; V61-I118 HydrophobicContact CB-CG1 3.87Å; V61-I118 HydrophobicContact CG1-CG1 4.31Å; V61-I118 HydrophobicContact CG2-CD1 4.38Å; V61-I118 HydrophobicContact CG2-CG1 3.69Å
62F96.6Very high92.1Very high6 Ų657.1 Ų57.13%0.02629%0.289CS..  trans-118.7151.6177-72.4-93.6000110.4G14 L18 V60 A64 L95 H96 L106 L107 A108G14-F62 VanDerWaalsContact O-CE1 3.26Å; G14-F62 WeakPolarHBondContact O-CE1 3.45Å; L18-F62 HydrophobicContact CB-CE1 4.44Å; V60-F62 HydrophobicContact CB-CE2 4.32Å; V60-F62 HydrophobicContact CG1-CD2 4.13Å; V60-F62 HydrophobicContact CG1-CE2 3.44Å; V60-F62 VanDerWaalsContact CG1-CE2 3.44Å; V60-F62 HydrophobicContact CG1-CZ 4.01Å; F62-A64 PolarHBondContact O-N 3Å; F62-L95 HydrophobicContact CE1-CD2 4.07Å; F62-L95 HydrophobicContact CZ-CD2 3.92Å; F62-L95 HydrophobicContact CZ-CG 4.36Å; F62-H96 AromaticContact CD1-NE2 3.6Å; F62-H96 AromaticContact CD2-CD2 3.97Å; F62-H96 AromaticContact CD2-NE2 3.54Å; F62-H96 AromaticContact CE1-NE2 3.9Å; F62-H96 AromaticContact CE2-CD2 3.83Å; F62-H96 AromaticContact CE2-NE2 3.84Å; F62-H96 AromaticContact CG-NE2 3.4Å; F62-H96 WeakPolarHBondContact CG-NE2 3.45Å; F62-H96 AromaticContact CZ-CD2 3.99Å; F62-L106 HydrophobicContact CD2-CD1 3.92Å; F62-L106 HydrophobicContact CD2-CD2 4.41Å; F62-L106 HydrophobicContact CD2-CG 4.03Å; F62-L106 HydrophobicContact CE2-CD1 3.71Å; F62-L106 HydrophobicContact CE2-CG 4.24Å; F62-L107 PolarHBondContact N-O 3.31Å; F62-A108 HydrophobicContact CB-CB 4.48Å; F62-A108 WeakPolarHBondContact O-CA 3.11Å
63D93.3Very high92.3Very high73 Ų7356.3 Ų56.339%0.3929%0.288SS..PPolyproline II helixtrans-63.2131.4169-65.6-56000109.7S15 A114S15-D63 WeakPolarHBondContact CB-OD2 3.3Å; S15-D63 VanDerWaalsContact OG-CG 3.25Å; S15-D63 PolarHBondContact OG-N 3.09Å; S15-D63 PolarHBondContact OG-OD2 3.35Å; D63-A114 PolarHBondContact OD1-N 3.42Å
64A90.4Very high92.5Very high25 Ų2556.3 Ų56.321%0.20729%0.289CS..PPolyproline II helixtrans-73.8156.9170.500000110.8F62 G66 V109F62-A64 PolarHBondContact O-N 3Å; A64-G66 PolarHBondContact O-N 2.85Å; A64-V109 VanDerWaalsContact CB-C 3.48Å; A64-V109 WeakPolarHBondContact CB-O 3.34Å
65K84.8Confident92.5Very high180 Ų18056.4 Ų56.478%0.78329%0.292SS*.SBendtrans-71.7129.6171-68-179.5-178.9174.20109.5
66G84.4Confident92.2Very high66 Ų6660.8 Ų60.868%0.6831%0.311SS*.SBendtrans139.7-175.6172.400000112.1A64A64-G66 PolarHBondContact O-N 2.85Å
67K87.4Confident92.1Very high160 Ų16057.9 Ų57.970%0.69629%0.293SS*.  trans-84.5154.2168.7-67.8-172.6175.7-166.80109.8D71K67-D71 HydrophobicContact CB-CB 4Å; K67-D71 HydrophobicContact CD-CB 4.2Å; K67-D71 HydrophobicContact CG-CB 4.21Å
68T92.4Very high91.7Very high14 Ų1458.9 Ų58.99%0.08630%0.297CS..  trans-109.7173.8174.1690000110.7R70 D71 G111 E113T68-R70 PolarHBondContact O-N 2.93Å; T68-R70 PolarHBondContact OG1-N 3.34Å; T68-D71 PolarHBondContact N-OD2 3.01Å; T68-D71 WeakPolarHBondContact O-CB 3.44Å; T68-D71 PolarHBondContact O-N 3.14Å; T68-D71 VanDerWaalsContact O-N 3.17Å; T68-D71 PolarHBondContact OG1-OD2 2.97Å; T68-G111 VanDerWaalsContact CA-O 3.29Å; T68-G111 WeakPolarHBondContact CA-O 3.47Å; T68-E113 HydrophobicContact CG2-CG 3.8Å
69F93Very high91.1Very high59 Ų5962.2 Ų62.226%0.25932%0.32SS..Hα-helixtrans-59.3-24.7172.876.1-86.5000113E72 L73 G111 V112 K253F69-E72 PolarHBondContact O-N 3.38Å; F69-L73 HydrophobicContact CD2-CD1 3.74Å; F69-L73 HydrophobicContact CE2-CD1 4Å; F69-L73 WeakPolarHBondContact O-CG 3.49Å; F69-L73 PolarHBondContact O-N 2.99Å; F69-L73 VanDerWaalsContact O-N 3.08Å; F69-G111 PolarHBondContact N-O 3.34Å; F69-V112 HydrophobicContact CD1-CG1 4.42Å; F69-K253 HydrophobicContact CE1-CB 4.35Å; F69-K253 HydrophobicContact CE1-CD 4.45Å; F69-K253 HydrophobicContact CZ-CB 4.39Å
70R94.5Very high90.3Very high5 Ų567 Ų672%0.01934%0.342CS..Hα-helixtrans-69.6-35.4177-65.3-176.2-177.779.56.2112.4T68 E72 L73 F74 Y77 E113 D116 L249 T251T68-R70 PolarHBondContact O-N 2.93Å; T68-R70 PolarHBondContact OG1-N 3.34Å; R70-E72 PolarHBondContact O-N 3.4Å; R70-L73 PolarHBondContact O-N 3.46Å; R70-F74 PolarHBondContact O-N 2.96Å; R70-Y77 HydrophobicContact CB-CD1 3.63Å; R70-Y77 HydrophobicContact CB-CE1 3.68Å; R70-Y77 HydrophobicContact CB-CG 4.09Å; R70-Y77 VanDerWaalsContact CD-CZ 3.41Å; R70-Y77 WeakPolarHBondContact CD-OH 3.26Å; R70-Y77 HydrophobicContact CG-CE1 4.29Å; R70-E113 IonicContact NH1-OE2 3.22Å; R70-D116 IonicContact CZ-OD1 2.91Å; R70-D116 IonicContact CZ-OD2 3.49Å; R70-D116 IonicContact NH1-OD1 3.43Å; R70-D116 PolarHBondContact NH1-OD1 3.37Å; R70-D116 IonicContact NH1-OD2 3.86Å; R70-D116 PolarHBondContact NH1-OD2 3.25Å; R70-D116 IonicContact NH2-OD1 2.75Å; R70-D116 PolarHBondContact NH2-OD1 2.93Å; R70-D116 IonicContact NH2-OD2 3.37Å; R70-L249 HydrophobicContact CB-CD2 3.99Å; R70-L249 WeakPolarHBondContact CD-O 3.43Å; R70-L249 HydrophobicContact CG-CD2 4.3Å; R70-L249 PolarHBondContact NE-O 3.07Å; R70-T251 PolarHBondContact NH2-O 3.08Å
71D90.3Very high89.6Confident46 Ų4672 Ų7225%0.24636%0.36CS..Hα-helixtrans-64.8-28.2174.4-60.7-88.4000112.2K67 T68K67-D71 HydrophobicContact CB-CB 4Å; K67-D71 HydrophobicContact CD-CB 4.2Å; K67-D71 HydrophobicContact CG-CB 4.21Å; T68-D71 PolarHBondContact N-OD2 3.01Å; T68-D71 WeakPolarHBondContact O-CB 3.44Å; T68-D71 PolarHBondContact O-N 3.14Å; T68-D71 VanDerWaalsContact O-N 3.17Å; T68-D71 PolarHBondContact OG1-OD2 2.97Å
72E89.7Confident88.6Confident168 Ų16877.1 Ų77.179%0.78539%0.394SS*.Hα-helixtrans-78.9-35.5174.3-61.4-176.9173.500112F69 R70F69-E72 PolarHBondContact O-N 3.38Å; R70-E72 PolarHBondContact O-N 3.4Å
73L91.1Very high87.7Confident78 Ų7882.1 Ų82.141%0.40843%0.427SS..Hα-helixtrans-71.7-34.8175.8-69.5173.9000112.7F69 R70 Q248 L249F69-L73 HydrophobicContact CD2-CD1 3.74Å; F69-L73 HydrophobicContact CE2-CD1 4Å; F69-L73 WeakPolarHBondContact O-CG 3.49Å; F69-L73 PolarHBondContact O-N 2.99Å; F69-L73 VanDerWaalsContact O-N 3.08Å; R70-L73 PolarHBondContact O-N 3.46Å; L73-Q248 HydrophobicContact CD1-CB 4.45Å; L73-L249 HydrophobicContact CB-CD2 4.2Å
74F93Very high87.3Confident42 Ų4280.8 Ų80.818%0.18442%0.419CS..  trans-149.1108.7-177.2-173.8-121.7000112.3R70 H76 Y77 N189 L245 L249R70-F74 PolarHBondContact O-N 2.96Å; F74-H76 HydrophobicContact CD1-CB 4.33Å; F74-H76 HydrophobicContact CE1-CB 3.68Å; F74-H76 HydrophobicContact CE2-CB 4.45Å; F74-H76 HydrophobicContact CZ-CB 3.76Å; F74-H76 PolarHBondContact O-N 3.48Å; F74-H76 VanDerWaalsContact O-N 3.09Å; F74-Y77 WeakPolarHBondContact O-CB 3.42Å; F74-Y77 PolarHBondContact O-N 2.92Å; F74-N189 VanDerWaalsContact CE1-O 3.31Å; F74-N189 WeakPolarHBondContact CE1-O 3.49Å; F74-L245 HydrophobicContact CD2-CD2 4Å; F74-L249 HydrophobicContact CB-CD1 3.77Å; F74-L249 HydrophobicContact CB-CD2 3.77Å; F74-L249 HydrophobicContact CB-CG 4.34Å; F74-L249 HydrophobicContact CD1-CD1 3.83Å; F74-L249 HydrophobicContact CG-CD1 3.92Å
75E87.9Confident87Confident164 Ų16481.7 Ų81.777%0.76642%0.423SS*.THydrogen-bonded Turntrans-56.9-30.6-175.2-176.4-179.417700114.1Y77E75-Y77 VanDerWaalsContact C-N 3.35Å
76H87.4Confident87Confident100 Ų10078.5 Ų78.546%0.46341%0.414SS..THydrogen-bonded Turntrans-90.14.4-179-57.7-52000113.6F74 K78 S79 N189F74-H76 HydrophobicContact CD1-CB 4.33Å; F74-H76 HydrophobicContact CE1-CB 3.68Å; F74-H76 HydrophobicContact CE2-CB 4.45Å; F74-H76 HydrophobicContact CZ-CB 3.76Å; F74-H76 PolarHBondContact O-N 3.48Å; F74-H76 VanDerWaalsContact O-N 3.09Å; H76-K78 PolarHBondContact O-N 3.31Å; H76-S79 PolarHBondContact O-N 3.37Å; H76-S79 PolarHBondContact O-OG 2.85Å; H76-S79 VanDerWaalsContact O-OG 3.13Å; H76-N189 WeakPolarHBondContact CB-ND2 3.5Å; H76-N189 WeakPolarHBondContact O-CB 3.39Å; H76-N189 PolarHBondContact O-ND2 3.36Å
77Y91.1Very high87.2Confident6 Ų677.2 Ų77.22%0.02439%0.392CS..THydrogen-bonded Turntrans-59.3126.9178.1-173.8-109.8000110.6R70 F74 E75 S79 E113 D188 I190 L249R70-Y77 HydrophobicContact CB-CD1 3.63Å; R70-Y77 HydrophobicContact CB-CE1 3.68Å; R70-Y77 HydrophobicContact CB-CG 4.09Å; R70-Y77 VanDerWaalsContact CD-CZ 3.41Å; R70-Y77 WeakPolarHBondContact CD-OH 3.26Å; R70-Y77 HydrophobicContact CG-CE1 4.29Å; F74-Y77 WeakPolarHBondContact O-CB 3.42Å; F74-Y77 PolarHBondContact O-N 2.92Å; E75-Y77 VanDerWaalsContact C-N 3.35Å; Y77-S79 PolarHBondContact O-N 3.2Å; Y77-E113 WeakPolarHBondContact CE1-OE1 3.34Å; Y77-E113 PolarHBondContact OH-OE2 3.27Å; Y77-D188 WeakPolarHBondContact CD2-O 3.14Å; Y77-D188 HydrophobicContact CE2-CB 3.77Å; Y77-D188 PolarHBondContact OH-OD2 2.99Å; Y77-I190 HydrophobicContact CE2-CG1 4.18Å; Y77-L249 HydrophobicContact CD2-CD2 4.1Å; Y77-L249 HydrophobicContact CG-CD2 4.48Å
78K87.8Confident87.3Confident41 Ų4169.6 Ų69.618%0.17836%0.358CS..THydrogen-bonded Turntrans50.511.7-177-70.2178177.8164.10115.7H76 H80 R81 E113 D188H76-K78 PolarHBondContact O-N 3.31Å; K78-H80 VanDerWaalsContact C-N 3.29Å; K78-H80 PolarHBondContact O-N 3.35Å; K78-R81 HydrophobicContact CB-CG 4.41Å; K78-R81 WeakPolarHBondContact O-CB 3.36Å; K78-R81 WeakPolarHBondContact O-CG 3.28Å; K78-R81 PolarHBondContact O-N 3.15Å; K78-E113 IonicContact NZ-OE1 2.59Å; K78-E113 PolarHBondContact NZ-OE1 2.94Å; K78-E113 IonicContact NZ-OE2 3.29Å; K78-E113 PolarHBondContact NZ-OE2 3.2Å; K78-D188 WeakPolarHBondContact CE-OD1 3.44Å; K78-D188 WeakPolarHBondContact CE-OD2 3.29Å; K78-D188 HydrophobicContact CG-CB 4.31Å; K78-D188 PolarHBondContact N-O 2.63Å; K78-D188 IonicContact NZ-OD2 3.77Å; K78-D188 PolarHBondContact NZ-OD2 2.9Å
79S84Confident87.1Confident72 Ų7274 Ų7450%0.50337%0.374SS..THydrogen-bonded Turntrans-70.4-20.9-16773.80000114.6H76 Y77H76-S79 PolarHBondContact O-N 3.37Å; H76-S79 PolarHBondContact O-OG 2.85Å; H76-S79 VanDerWaalsContact O-OG 3.13Å; Y77-S79 PolarHBondContact O-N 3.2Å
80H82Confident87.1Confident101 Ų10174.2 Ų74.247%0.46839%0.386SS..THydrogen-bonded Turntrans-87.5-7177.770.4-84.9000112.8K78 S186 S187K78-H80 VanDerWaalsContact C-N 3.29Å; K78-H80 PolarHBondContact O-N 3.35Å; H80-S186 PolarHBondContact CE1-O 2.83Å; H80-S186 PolarHBondContact NE2-O 3.45Å; H80-S187 PolarHBondContact CE1-O 3.25Å
81R81.9Confident87.1Confident105 Ų10574.2 Ų74.240%0.39639%0.386SS..SBendtrans-66.4131.4176.5-67.8-174.7175.9-162.4-5.2108.8K78 S187 D188K78-R81 HydrophobicContact CB-CG 4.41Å; K78-R81 WeakPolarHBondContact O-CB 3.36Å; K78-R81 WeakPolarHBondContact O-CG 3.28Å; K78-R81 PolarHBondContact O-N 3.15Å; R81-S187 PolarHBondContact NE-O 3.44Å; R81-S187 PolarHBondContact NH2-OG 3.33Å; R81-D188 IonicContact CZ-OD1 3.44Å; R81-D188 IonicContact NE-OD1 3.59Å; R81-D188 IonicContact NH2-OD1 3.62Å; R81-D188 PolarHBondContact NH2-OD1 3.45Å
82P76.9Confident87.2Confident109 Ų10973.5 Ų73.571%0.70838%0.382SS*.PPolyproline II helixtrans-62149.5175.426.9-33.2000109.9
83P78.8Confident87.5Confident110 Ų11073.2 Ų73.271%0.71438%0.381SS*.PPolyproline II helixtrans-59147174.126.9-34.4000109.7
84M84.9Confident87.7Confident45 Ų4570.3 Ų70.322%0.22237%0.367CS..PPolyproline II helixtrans-53.7127.7177.6-175-178.5-72.500110L18 Y19 L88 R89 I92L18-M84 HydrophobicContact CD2-CE 4.35Å; Y19-M84 HydrophobicContact CE2-CE 4.16Å; Y19-M84 WeakPolarHBondContact OH-CE 3.44Å; M84-L88 HydrophobicContact CG-CB 4.06Å; M84-L88 HydrophobicContact CG-CD2 3.97Å; M84-L88 HydrophobicContact CG-CG 4.08Å; M84-L88 HydrophobicContact SD-CB 4.48Å; M84-L88 HydrophobicContact SD-CD2 4.39Å; M84-L88 HydrophobicContact SD-CG 4.13Å; M84-R89 PolarHBondContact O-NH2 3.42Å; M84-R89 HydrophobicContact SD-CB 4.14Å; M84-R89 HydrophobicContact SD-CG 4.42Å; M84-I92 HydrophobicContact CE-CD1 4Å; M84-I92 HydrophobicContact SD-CD1 3.52Å; M84-I92 VanDerWaalsContact SD-CD1 3.52Å; M84-I92 HydrophobicContact SD-CG1 4.25Å
85P83.9Confident87.8Confident44 Ų4468.3 Ų68.329%0.28636%0.358SS..PPolyproline II helixtrans-53.5142.7176.7-29.137.6000112.3Y22 D87 L88 R89Y22-P85 HydrophobicContact CE1-CB 4.36Å; Y22-P85 HydrophobicContact CE1-CG 3.86Å; P85-D87 VanDerWaalsContact C-N 3.26Å; P85-D87 WeakPolarHBondContact CB-OD1 3.33Å; P85-D87 PolarHBondContact O-N 3.36Å; P85-L88 HydrophobicContact CB-CB 4.26Å; P85-L88 PolarHBondContact O-N 2.88Å; P85-L88 VanDerWaalsContact O-N 3.14Å; P85-R89 PolarHBondContact O-N 3.11Å
86D85.5Confident88.2Confident114 Ų11462.3 Ų62.361%0.6133%0.33SS*.Hα-helixtrans-62.4-35.1-175.6-66.8-22.1000112.4R89 A90D86-R89 PolarHBondContact O-N 3.41Å; D86-R89 IonicContact OD1-CZ 3.83Å; D86-R89 IonicContact OD1-NH1 2.79Å; D86-R89 PolarHBondContact OD1-NH1 2.95Å; D86-R89 IonicContact OD1-NH2 3.85Å; D86-R89 PolarHBondContact OD1-NH2 3.32Å; D86-A90 WeakPolarHBondContact O-CB 3.39Å; D86-A90 PolarHBondContact O-N 3.29Å
87D87.3Confident88.7Confident38 Ų3859.5 Ų59.520%0.20332%0.324CS..Hα-helixtrans-68-35.717659.3-21000112.6Y22 P35 P85 Q91Y22-D87 WeakPolarHBondContact CE2-OD2 3.33Å; Y22-D87 PolarHBondContact OH-OD1 3.36Å; Y22-D87 PolarHBondContact OH-OD2 3.18Å; P35-D87 HydrophobicContact CB-CB 4.04Å; P35-D87 HydrophobicContact CG-CB 3.9Å; P35-D87 WeakPolarHBondContact CG-O 3.19Å; P85-D87 VanDerWaalsContact C-N 3.26Å; P85-D87 WeakPolarHBondContact CB-OD1 3.33Å; P85-D87 PolarHBondContact O-N 3.36Å; D87-Q91 WeakPolarHBondContact O-CG 3.37Å; D87-Q91 PolarHBondContact O-NE2 2.8Å
88L89.7Confident88.9Confident0 Ų059.2 Ų59.20%032%0.322CS..Hα-helixtrans-70.3-41.2170.3-172.255.3000111.4L18 Y19 Y22 A38 M84 P85 A90 Q91L18-L88 HydrophobicContact CD1-CD1 3.55Å; L18-L88 HydrophobicContact CD1-CG 4.45Å; L18-L88 HydrophobicContact CD2-CD1 4.32Å; L18-L88 HydrophobicContact CD2-CG 4.38Å; L18-L88 HydrophobicContact CG-CD1 3.7Å; L18-L88 HydrophobicContact CG-CD2 4.41Å; L18-L88 HydrophobicContact CG-CG 4.21Å; Y19-L88 HydrophobicContact CD1-CD2 3.84Å; Y19-L88 HydrophobicContact CE1-CD2 3.78Å; Y19-L88 HydrophobicContact CG-CD2 4.46Å; Y22-L88 HydrophobicContact CD1-CD2 4.07Å; Y22-L88 HydrophobicContact CD2-CB 4.01Å; Y22-L88 HydrophobicContact CD2-CD1 3.86Å; Y22-L88 HydrophobicContact CD2-CD2 4.42Å; Y22-L88 HydrophobicContact CD2-CG 4.33Å; Y22-L88 HydrophobicContact CE2-CB 4.14Å; Y22-L88 HydrophobicContact CG-CB 4.33Å; Y22-L88 HydrophobicContact CG-CD1 3.91Å; Y22-L88 HydrophobicContact CG-CD2 3.91Å; Y22-L88 HydrophobicContact CG-CG 4.28Å; A38-L88 HydrophobicContact CB-CD1 3.53Å; M84-L88 HydrophobicContact CG-CB 4.06Å; M84-L88 HydrophobicContact CG-CD2 3.97Å; M84-L88 HydrophobicContact CG-CG 4.08Å; M84-L88 HydrophobicContact SD-CB 4.48Å; M84-L88 HydrophobicContact SD-CD2 4.39Å; M84-L88 HydrophobicContact SD-CG 4.13Å; P85-L88 HydrophobicContact CB-CB 4.26Å; P85-L88 PolarHBondContact O-N 2.88Å; P85-L88 VanDerWaalsContact O-N 3.14Å; L88-A90 VanDerWaalsContact C-N 3.34Å; L88-A90 PolarHBondContact O-N 3.4Å; L88-Q91 WeakPolarHBondContact O-CB 3.45Å; L88-Q91 PolarHBondContact O-N 3.12Å; L88-Q91 VanDerWaalsContact O-N 3.11Å
89R89.7Confident89.3Confident108 Ų10857.2 Ų57.241%0.40831%0.314SS..Hα-helixtrans-62.8-40-179.1-163.8-173-51.9121.311.3112.4M84 P85 D86 Q91 I92M84-R89 PolarHBondContact O-NH2 3.42Å; M84-R89 HydrophobicContact SD-CB 4.14Å; M84-R89 HydrophobicContact SD-CG 4.42Å; P85-R89 PolarHBondContact O-N 3.11Å; D86-R89 PolarHBondContact O-N 3.41Å; D86-R89 IonicContact OD1-CZ 3.83Å; D86-R89 IonicContact OD1-NH1 2.79Å; D86-R89 PolarHBondContact OD1-NH1 2.95Å; D86-R89 IonicContact OD1-NH2 3.85Å; D86-R89 PolarHBondContact OD1-NH2 3.32Å; R89-Q91 PolarHBondContact O-N 3.04Å; R89-I92 HydrophobicContact CG-CD1 4.34Å; R89-I92 PolarHBondContact O-N 3.39Å
90A91.5Very high89.9Confident63 Ų6359.9 Ų59.952%0.52132%0.317SS..THydrogen-bonded Turntrans-62.5-20177.200000113.3P35 D86 L88 P94P35-A90 HydrophobicContact CG-CB 4.26Å; D86-A90 WeakPolarHBondContact O-CB 3.39Å; D86-A90 PolarHBondContact O-N 3.29Å; L88-A90 VanDerWaalsContact C-N 3.34Å; L88-A90 PolarHBondContact O-N 3.4Å; A90-P94 WeakPolarHBondContact O-CD 3.27Å
91Q94.2Very high90.5Very high4 Ų455.1 Ų55.12%0.01929%0.294CS..THydrogen-bonded Turntrans-91.3-12-177.6-73.6178.282.500114.2P35 T36 M39 D87 L88 R89 L95P35-Q91 HydrophobicContact CB-CG 4.39Å; P35-Q91 HydrophobicContact CG-CG 4.14Å; P35-Q91 VanDerWaalsContact O-CD 3.24Å; P35-Q91 WeakPolarHBondContact O-CG 3.44Å; T36-Q91 PolarHBondContact O-OE1 3.02Å; M39-Q91 HydrophobicContact CE-CG 4.1Å; M39-Q91 HydrophobicContact CG-CB 3.61Å; M39-Q91 HydrophobicContact CG-CG 3.85Å; M39-Q91 HydrophobicContact SD-CB 4.1Å; M39-Q91 HydrophobicContact SD-CG 4.2Å; D87-Q91 WeakPolarHBondContact O-CG 3.37Å; D87-Q91 PolarHBondContact O-NE2 2.8Å; L88-Q91 WeakPolarHBondContact O-CB 3.45Å; L88-Q91 PolarHBondContact O-N 3.12Å; L88-Q91 VanDerWaalsContact O-N 3.11Å; R89-Q91 PolarHBondContact O-N 3.04Å; Q91-L95 WeakPolarHBondContact O-CB 3.38Å; Q91-L95 PolarHBondContact O-N 3.48Å
92I93.7Very high91.1Very high31 Ų3150.3 Ų50.316%0.15928%0.277CS..Hα-helixtrans-66.3-54.2-174.8-58.4176000111.6L18 M84 R89 L95 H96L18-I92 HydrophobicContact CD2-CG1 3.99Å; M84-I92 HydrophobicContact CE-CD1 4Å; M84-I92 HydrophobicContact SD-CD1 3.52Å; M84-I92 VanDerWaalsContact SD-CD1 3.52Å; M84-I92 HydrophobicContact SD-CG1 4.25Å; R89-I92 HydrophobicContact CG-CD1 4.34Å; R89-I92 PolarHBondContact O-N 3.39Å; I92-L95 WeakPolarHBondContact O-CB 3.39Å; I92-L95 PolarHBondContact O-N 3.09Å; I92-H96 WeakPolarHBondContact CG2-NE2 3.5Å; I92-H96 PolarHBondContact O-CD2 2.7Å; I92-H96 VanDerWaalsContact O-CG 3.3Å; I92-H96 PolarHBondContact O-N 3.28Å
93E94.5Very high91.9Very high163 Ų16345.5 Ų45.576%0.76225%0.247SC*.Hα-helixtrans-62.5-46.3-175.1-179.7-175176.100112.1L95 H96 A97E93-L95 PolarHBondContact O-N 3.1Å; E93-H96 PolarHBondContact O-N 2.88Å; E93-A97 PolarHBondContact O-N 2.86Å; E93-A97 VanDerWaalsContact O-N 3.07Å
94P95.2Very high92.7Very high17 Ų1740.6 Ų40.611%0.1122%0.215CC..Hα-helixtrans-68.3-34.2176-12.726.7000112.6M39 A90 H96 A97 M98 Y282M39-P94 HydrophobicContact SD-CB 3.7Å; M39-P94 HydrophobicContact SD-CG 4.24Å; A90-P94 WeakPolarHBondContact O-CD 3.27Å; P94-H96 VanDerWaalsContact C-N 3.35Å; P94-A97 WeakPolarHBondContact O-CB 3.45Å; P94-A97 PolarHBondContact O-N 3.48Å; P94-M98 VanDerWaalsContact O-CG 3.27Å; P94-M98 WeakPolarHBondContact O-CG 3.36Å; P94-M98 PolarHBondContact O-N 3.12Å; P94-Y282 HydrophobicContact CB-CE2 3.57Å; P94-Y282 VanDerWaalsContact CB-OH 3.29Å; P94-Y282 WeakPolarHBondContact CB-OH 3.33Å; P94-Y282 HydrophobicContact CG-CE2 4.28Å; P94-Y282 WeakPolarHBondContact CG-OH 3.36Å
95L96.3Very high93.3Very high0 Ų039.7 Ų39.70%021%0.212CC..Hα-helixtrans-59.7-45.9171.5174.461.1000111.3L18 M39 V42 L43 F62 Q91 I92 E93 A97 M98 V99L18-L95 HydrophobicContact CD1-CD2 3.74Å; M39-L95 HydrophobicContact CG-CB 4.09Å; V42-L95 HydrophobicContact CB-CD1 3.86Å; V42-L95 HydrophobicContact CB-CD2 4.13Å; V42-L95 HydrophobicContact CG1-CD1 3.77Å; V42-L95 HydrophobicContact CG1-CD2 4.08Å; V42-L95 HydrophobicContact CG1-CG 4.47Å; V42-L95 HydrophobicContact CG2-CD2 4.01Å; L43-L95 HydrophobicContact CD2-CD1 4.33Å; L43-L95 HydrophobicContact CG-CD1 4.35Å; F62-L95 HydrophobicContact CE1-CD2 4.07Å; F62-L95 HydrophobicContact CZ-CD2 3.92Å; F62-L95 HydrophobicContact CZ-CG 4.36Å; Q91-L95 WeakPolarHBondContact O-CB 3.38Å; Q91-L95 PolarHBondContact O-N 3.48Å; I92-L95 WeakPolarHBondContact O-CB 3.39Å; I92-L95 PolarHBondContact O-N 3.09Å; E93-L95 PolarHBondContact O-N 3.1Å; L95-A97 VanDerWaalsContact C-N 3.28Å; L95-A97 PolarHBondContact O-N 3.23Å; L95-M98 PolarHBondContact O-N 3.44Å; L95-M98 VanDerWaalsContact O-N 3.14Å; L95-V99 HydrophobicContact CD1-CG2 3.92Å; L95-V99 HydrophobicContact CG-CG2 4.28Å; L95-V99 VanDerWaalsContact O-CG2 3.31Å; L95-V99 WeakPolarHBondContact O-CG2 3.46Å; L95-V99 PolarHBondContact O-N 3.3Å
96H96.9Very high93.9Very high38 Ų3838.9 Ų38.918%0.17621%0.205CC..Hα-helixtrans-59.8-41.3177.9-71.7-168.8000111.4F62 I92 E93 P94 V99 K100 L106F62-H96 AromaticContact CD1-NE2 3.6Å; F62-H96 AromaticContact CD2-CD2 3.97Å; F62-H96 AromaticContact CD2-NE2 3.54Å; F62-H96 AromaticContact CE1-NE2 3.9Å; F62-H96 AromaticContact CE2-CD2 3.83Å; F62-H96 AromaticContact CE2-NE2 3.84Å; F62-H96 AromaticContact CG-NE2 3.4Å; F62-H96 WeakPolarHBondContact CG-NE2 3.45Å; F62-H96 AromaticContact CZ-CD2 3.99Å; I92-H96 WeakPolarHBondContact CG2-NE2 3.5Å; I92-H96 PolarHBondContact O-CD2 2.7Å; I92-H96 VanDerWaalsContact O-CG 3.3Å; I92-H96 PolarHBondContact O-N 3.28Å; E93-H96 PolarHBondContact O-N 2.88Å; P94-H96 VanDerWaalsContact C-N 3.35Å; H96-V99 PolarHBondContact O-N 2.72Å; H96-K100 WeakPolarHBondContact O-CG 3.4Å; H96-K100 PolarHBondContact O-N 3.49Å; H96-L106 HydrophobicContact CB-CD1 3.74Å
97A96.4Very high94.4Very high40 Ų4034.3 Ų34.333%0.33118%0.18SC..Hα-helixtrans-61.8-45.5174.100000111.6E93 P94 L95 V99 K100 A101 L278E93-A97 PolarHBondContact O-N 2.86Å; E93-A97 VanDerWaalsContact O-N 3.07Å; P94-A97 WeakPolarHBondContact O-CB 3.45Å; P94-A97 PolarHBondContact O-N 3.48Å; L95-A97 VanDerWaalsContact C-N 3.28Å; L95-A97 PolarHBondContact O-N 3.23Å; A97-V99 PolarHBondContact O-N 2.97Å; A97-K100 PolarHBondContact O-N 3.31Å; A97-A101 VanDerWaalsContact O-CB 3.31Å; A97-A101 WeakPolarHBondContact O-CB 3.47Å; A97-A101 PolarHBondContact O-N 3.5Å; A97-L278 HydrophobicContact CB-CD1 4.07Å; A97-L278 HydrophobicContact CB-CD2 4.48Å
98M96.1Very high94.8Very high0 Ų034.7 Ų34.70%019%0.189CC..Hα-helixtrans-63.6-41.4177.8-67.5169.2-178.800112.2M39 L43 P94 L95 A101 M102 L278 F279 Y282 F284M39-M98 HydrophobicContact CB-SD 4.38Å; M39-M98 HydrophobicContact SD-CE 4.28Å; M39-M98 HydrophobicContact SD-SD 4.35Å; L43-M98 HydrophobicContact CD1-CB 4.1Å; L43-M98 HydrophobicContact CD1-CG 4.3Å; L43-M98 HydrophobicContact CD1-SD 3.49Å; L43-M98 WeakPolarHBondContact CD1-SD 3.23Å; L43-M98 HydrophobicContact CD2-CB 3.86Å; L43-M98 HydrophobicContact CG-SD 4.5Å; P94-M98 VanDerWaalsContact O-CG 3.27Å; P94-M98 WeakPolarHBondContact O-CG 3.36Å; P94-M98 PolarHBondContact O-N 3.12Å; L95-M98 PolarHBondContact O-N 3.44Å; L95-M98 VanDerWaalsContact O-N 3.14Å; M98-A101 CarbonylContact O-C 3.5Å; M98-A101 PolarHBondContact O-N 2.99Å; M98-M102 WeakPolarHBondContact O-CG 3.46Å; M98-M102 PolarHBondContact O-N 2.92Å; M98-L278 HydrophobicContact CB-CD1 4.43Å; M98-L278 HydrophobicContact CE-CB 3.94Å; M98-L278 HydrophobicContact CG-CB 4.03Å; M98-L278 HydrophobicContact CG-CD1 3.73Å; M98-L278 HydrophobicContact CG-CG 4.35Å; M98-F279 HydrophobicContact CG-CE1 4.49Å; M98-F279 HydrophobicContact SD-CE1 4.44Å; M98-Y282 HydrophobicContact CE-CD2 3.16Å; M98-Y282 HydrophobicContact CE-CE2 3.77Å; M98-Y282 HydrophobicContact CE-CG 3.93Å; M98-F284 HydrophobicContact CE-CD2 4.48Å; M98-F284 HydrophobicContact CE-CE2 3.84Å; M98-F284 HydrophobicContact SD-CE2 4.11Å
99V96.3Very high95Very high0 Ų036.6 Ų36.60%020%0.2CC..Hα-helixtrans-63.4-44.2177.8171.80000111.2L46 V60 L95 H96 A97 A101 M102 L104 L106L46-V99 HydrophobicContact CD1-CG2 3.71Å; V60-V99 HydrophobicContact CB-CG1 3.9Å; V60-V99 HydrophobicContact CG1-CG1 4.45Å; V60-V99 HydrophobicContact CG2-CG1 3.69Å; L95-V99 HydrophobicContact CD1-CG2 3.92Å; L95-V99 HydrophobicContact CG-CG2 4.28Å; L95-V99 VanDerWaalsContact O-CG2 3.31Å; L95-V99 WeakPolarHBondContact O-CG2 3.46Å; L95-V99 PolarHBondContact O-N 3.3Å; H96-V99 PolarHBondContact O-N 2.72Å; A97-V99 PolarHBondContact O-N 2.97Å; V99-A101 VanDerWaalsContact C-N 3.35Å; V99-M102 WeakPolarHBondContact O-CB 3.4Å; V99-M102 PolarHBondContact O-N 3.07Å; V99-L104 HydrophobicContact CG1-CB 4.06Å; V99-L104 PolarHBondContact O-N 2.86Å; V99-L106 HydrophobicContact CB-CD1 4.02Å; V99-L106 HydrophobicContact CG1-CB 4.41Å; V99-L106 HydrophobicContact CG1-CD1 3.98Å
100K96.3Very high95.2Very high128 Ų12835.9 Ų35.956%0.55721%0.212SC*.Hα-helixtrans-62.3-43.3173.9-70.7177-178.6-175.80111.4H96 A97 M102 G103 L106H96-K100 WeakPolarHBondContact O-CG 3.4Å; H96-K100 PolarHBondContact O-N 3.49Å; A97-K100 PolarHBondContact O-N 3.31Å; K100-M102 PolarHBondContact O-N 3.46Å; K100-G103 WeakPolarHBondContact O-CA 3.49Å; K100-G103 PolarHBondContact O-N 3.37Å; K100-L106 HydrophobicContact CG-CB 4.07Å
101A94.9Very high95.3Very high0 Ų034.5 Ų34.50%020%0.204CC..Hα-helixtrans-67.7-20.7177.400000113.2A97 M98 V99 G103 P270 A271 E274 L275 L278A97-A101 VanDerWaalsContact O-CB 3.31Å; A97-A101 WeakPolarHBondContact O-CB 3.47Å; A97-A101 PolarHBondContact O-N 3.5Å; M98-A101 CarbonylContact O-C 3.5Å; M98-A101 PolarHBondContact O-N 2.99Å; V99-A101 VanDerWaalsContact C-N 3.35Å; A101-G103 PolarHBondContact O-N 3.23Å; A101-P270 CarbonylContact O-C 3.55Å; A101-P270 VanDerWaalsContact O-CA 3.28Å; A101-P270 WeakPolarHBondContact O-CA 3.21Å; A101-A271 HydrophobicContact CB-CB 4.41Å; A101-A271 PolarHBondContact O-N 2.94Å; A101-E274 HydrophobicContact CB-CB 3.93Å; A101-L275 HydrophobicContact CB-CD2 3.75Å; A101-L275 HydrophobicContact CB-CG 3.76Å; A101-L275 WeakPolarHBondContact O-CD1 3.35Å; A101-L278 HydrophobicContact CB-CD1 4.48Å
102M93.4Very high95.4Very high5 Ų535.2 Ų35.23%0.02521%0.209CC..THydrogen-bonded Turntrans-68-7.6166.7-71.3178.269.900113.3L43 L46 M98 V99 K100 L104 L275 W296L43-M102 HydrophobicContact CD2-CG 4.37Å; L43-M102 HydrophobicContact CD2-SD 3.38Å; L43-M102 WeakPolarHBondContact CD2-SD 3.2Å; L46-M102 HydrophobicContact CB-CE 3.9Å; L46-M102 HydrophobicContact CB-SD 4.36Å; L46-M102 HydrophobicContact CD1-SD 4.29Å; M98-M102 WeakPolarHBondContact O-CG 3.46Å; M98-M102 PolarHBondContact O-N 2.92Å; V99-M102 WeakPolarHBondContact O-CB 3.4Å; V99-M102 PolarHBondContact O-N 3.07Å; K100-M102 PolarHBondContact O-N 3.46Å; M102-L104 HydrophobicContact CB-CD1 4.27Å; M102-L104 HydrophobicContact CB-CG 4.16Å; M102-L104 HydrophobicContact CE-CD1 4.18Å; M102-L104 HydrophobicContact SD-CD1 4.45Å; M102-L275 HydrophobicContact CG-CD2 4.21Å; M102-W296 HydrophobicContact CE-CH2 4.18Å; M102-W296 HydrophobicContact CG-CH2 3.72Å; M102-W296 HydrophobicContact CG-CZ3 3.85Å; M102-W296 HydrophobicContact SD-CH2 4.02Å
103G93.5Very high95.4Very high8 Ų834.6 Ų34.68%0.08221%0.205CC..THydrogen-bonded Turntrans8217.6-173.800000113.3K100 A101 Q268K100-G103 WeakPolarHBondContact O-CA 3.49Å; K100-G103 PolarHBondContact O-N 3.37Å; A101-G103 PolarHBondContact O-N 3.23Å; G103-Q268 PolarHBondContact O-N 2.93Å
104L96.2Very high95.5Very high7 Ų726.9 Ų26.94%0.03717%0.169CC..  trans-99.1125.4179.9-59.8176.2000110.7L46 I50 A58 V60 V99 M102 L106 V267L46-L104 HydrophobicContact CD1-CD1 4.35Å; L46-L104 HydrophobicContact CD2-CD1 4.45Å; I50-L104 HydrophobicContact CD1-CD2 3.77Å; I50-L104 HydrophobicContact CG1-CD1 4.41Å; I50-L104 HydrophobicContact CG1-CD2 4.26Å; A58-L104 HydrophobicContact CB-CD2 4.31Å; V60-L104 HydrophobicContact CG2-CB 4.34Å; V60-L104 HydrophobicContact CG2-CD1 4.08Å; V99-L104 HydrophobicContact CG1-CB 4.06Å; V99-L104 PolarHBondContact O-N 2.86Å; M102-L104 HydrophobicContact CB-CD1 4.27Å; M102-L104 HydrophobicContact CB-CG 4.16Å; M102-L104 HydrophobicContact CE-CD1 4.18Å; M102-L104 HydrophobicContact SD-CD1 4.45Å; L104-L106 PolarHBondContact O-N 3.41Å; L104-V267 HydrophobicContact CD2-CG1 4.02Å; L104-V267 HydrophobicContact CD2-CG2 4.05Å
105P96.8Very high95.6Very high25 Ų2526.7 Ų26.716%0.16217%0.167CC..  trans-51.5132.1166.4-27.533.8000111.8A58 A59 V60 L265A58-P105 VanDerWaalsContact O-CD 3.25Å; A58-P105 WeakPolarHBondContact O-CD 3.45Å; A58-P105 WeakPolarHBondContact O-CG 2.97Å; A59-P105 WeakPolarHBondContact CA-O 3.32Å; A59-P105 HydrophobicContact CB-CB 4.36Å; V60-P105 PolarHBondContact N-O 2.99Å; P105-L265 HydrophobicContact CB-CD2 3.92Å; P105-L265 HydrophobicContact CG-CB 4.43Å; P105-L265 HydrophobicContact CG-CD2 4.44Å
106L96.9Very high95.7Very high28 Ų2826.7 Ų26.715%0.14717%0.167CC..EExtended strand (participates in β ladder)trans-121.7126.3178-175.6153.2000110V60 F62 H96 V99 K100 L104V60-L106 VanDerWaalsContact O-CA 3.32Å; V60-L106 WeakPolarHBondContact O-CA 3.49Å; F62-L106 HydrophobicContact CD2-CD1 3.92Å; F62-L106 HydrophobicContact CD2-CD2 4.41Å; F62-L106 HydrophobicContact CD2-CG 4.03Å; F62-L106 HydrophobicContact CE2-CD1 3.71Å; F62-L106 HydrophobicContact CE2-CG 4.24Å; H96-L106 HydrophobicContact CB-CD1 3.74Å; V99-L106 HydrophobicContact CB-CD1 4.02Å; V99-L106 HydrophobicContact CG1-CB 4.41Å; V99-L106 HydrophobicContact CG1-CD1 3.98Å; K100-L106 HydrophobicContact CG-CB 4.07Å; L104-L106 PolarHBondContact O-N 3.41Å
107L96.6Very high95.7Very high17 Ų1724.9 Ų24.99%0.08916%0.159CC..EExtended strand (participates in β ladder)trans-119.4137.6-179.4-64.2171000110.6A59 V60 V61 F62 V117 L121 L260 L265A59-L107 HydrophobicContact CB-CD1 4.46Å; V60-L107 PolarHBondContact O-N 3.26Å; V61-L107 WeakPolarHBondContact CA-O 3.24Å; V61-L107 HydrophobicContact CG1-CB 4.41Å; V61-L107 HydrophobicContact CG2-CB 4.42Å; F62-L107 PolarHBondContact N-O 3.31Å; L107-V117 HydrophobicContact CB-CG1 4.34Å; L107-V117 HydrophobicContact CD1-CG1 4.07Å; L107-L121 HydrophobicContact CD1-CD1 3.68Å; L107-L260 HydrophobicContact CD2-CD1 4.18Å; L107-L265 HydrophobicContact CD1-CD2 4.27Å
108A94.9Very high95.8Very high47 Ų4723 Ų2339%0.38814%0.143SC..  trans-148.498.2170.500000108.4F62F62-A108 HydrophobicContact CB-CB 4.48Å; F62-A108 WeakPolarHBondContact O-CA 3.11Å
109V95.6Very high95.9Very high39 Ų3923 Ų2324%0.23614%0.143CC..  trans-99.3127.6-171.3-176.40000109.7A64 V112 V117 V256 L258A64-V109 VanDerWaalsContact CB-C 3.48Å; A64-V109 WeakPolarHBondContact CB-O 3.34Å; V109-V112 HydrophobicContact CB-CG2 3.92Å; V109-V112 HydrophobicContact CG1-CG2 3.87Å; V109-V117 HydrophobicContact CB-CG2 3.74Å; V109-V117 HydrophobicContact CG2-CG1 4.45Å; V109-V117 HydrophobicContact CG2-CG2 3.68Å; V109-V256 HydrophobicContact CG1-CG1 4.2Å; V109-L258 HydrophobicContact CG2-CD2 3.84Å
110S93.6Very high96Very high93 Ų9323.6 Ų23.665%0.6515%0.147SC*.THydrogen-bonded Turntrans-74.4145.4-178.4-62.50000111.9V112S110-V112 VanDerWaalsContact C-N 3.33Å
111G93Very high96Very high35 Ų3517.5 Ų17.536%0.36112%0.12SC..THydrogen-bonded Turntrans86.8-5.8177.200000115.3T68 F69T68-G111 VanDerWaalsContact CA-O 3.29Å; T68-G111 WeakPolarHBondContact CA-O 3.47Å; F69-G111 PolarHBondContact N-O 3.34Å
112V95.7Very high96.2Very high18 Ų1817.5 Ų17.511%0.10912%0.12CC..SBendtrans-136.7165.2177.2-63.80000110F69 V109 S110 D116 V117 K253 V256F69-V112 HydrophobicContact CD1-CG1 4.42Å; V109-V112 HydrophobicContact CB-CG2 3.92Å; V109-V112 HydrophobicContact CG1-CG2 3.87Å; S110-V112 VanDerWaalsContact C-N 3.33Å; V112-D116 HydrophobicContact CB-CB 3.97Å; V112-V117 HydrophobicContact CG2-CG2 3.91Å; V112-K253 HydrophobicContact CG1-CD 4.42Å; V112-V256 HydrophobicContact CG1-CG2 4.18Å; V112-V256 HydrophobicContact CG2-CG1 4.05Å; V112-V256 HydrophobicContact CG2-CG2 4.4Å
113E95Very high96.3Very high18 Ų1820.2 Ų20.28%0.08413%0.131CC..  trans-87.1161.6175.3-60.2-166.1151.200111T68 R70 Y77 K78 D115 D116 V117T68-E113 HydrophobicContact CG2-CG 3.8Å; R70-E113 IonicContact NH1-OE2 3.22Å; Y77-E113 WeakPolarHBondContact CE1-OE1 3.34Å; Y77-E113 PolarHBondContact OH-OE2 3.27Å; K78-E113 IonicContact NZ-OE1 2.59Å; K78-E113 PolarHBondContact NZ-OE1 2.94Å; K78-E113 IonicContact NZ-OE2 3.29Å; K78-E113 PolarHBondContact NZ-OE2 3.2Å; E113-D115 HydrophobicContact CB-CB 4.38Å; E113-D115 PolarHBondContact O-N 2.8Å; E113-D115 VanDerWaalsContact O-N 3.13Å; E113-D116 PolarHBondContact N-OD2 3.28Å; E113-D116 PolarHBondContact O-N 3.35Å; E113-D116 VanDerWaalsContact O-N 3.08Å; E113-V117 PolarHBondContact O-N 3.33Å
114A95.9Very high96.5Very high1 Ų122.7 Ų22.71%0.00814%0.14CC..Hα-helixtrans-52.3-35.3173.200000111.3V61 D63 D116 V117 I118V61-A114 HydrophobicContact CB-CB 4.38Å; V61-A114 HydrophobicContact CG1-CB 3.8Å; D63-A114 PolarHBondContact OD1-N 3.42Å; A114-D116 VanDerWaalsContact C-N 3.35Å; A114-D116 PolarHBondContact O-N 3.31Å; A114-V117 PolarHBondContact O-N 2.97Å; A114-I118 VanDerWaalsContact O-CG1 3.31Å; A114-I118 WeakPolarHBondContact O-CG1 3.4Å; A114-I118 PolarHBondContact O-N 3.28Å
115D97.1Very high96.4Very high13 Ų1322.3 Ų22.37%0.0714%0.138CC..Hα-helixtrans-58.5-42.4178.9-72.621.2000113.3E113 I118 G119 M141 I252E113-D115 HydrophobicContact CB-CB 4.38Å; E113-D115 PolarHBondContact O-N 2.8Å; E113-D115 VanDerWaalsContact O-N 3.13Å; D115-I118 PolarHBondContact O-N 3.06Å; D115-G119 PolarHBondContact O-N 3.29Å; D115-M141 HydrophobicContact CB-CE 3.18Å; D115-M141 WeakPolarHBondContact OD1-CE 3.4Å; D115-M141 VanDerWaalsContact OD2-CE 3.23Å; D115-M141 WeakPolarHBondContact OD2-CE 3.18Å; D115-I252 HydrophobicContact CB-CD1 4.45Å; D115-I252 HydrophobicContact CB-CG1 4.37Å; D115-I252 VanDerWaalsContact O-CG2 3.3Å; D115-I252 WeakPolarHBondContact O-CG2 3.18Å
116D97.8Very high96.4Very high0 Ų023.1 Ų23.10%014%0.14CC..Hα-helixtrans-69.5-37.6179.7-59.5-51.9000111.4R70 V112 E113 A114 T120 K253 V256R70-D116 IonicContact CZ-OD1 2.91Å; R70-D116 IonicContact CZ-OD2 3.49Å; R70-D116 IonicContact NH1-OD1 3.43Å; R70-D116 PolarHBondContact NH1-OD1 3.37Å; R70-D116 IonicContact NH1-OD2 3.86Å; R70-D116 PolarHBondContact NH1-OD2 3.25Å; R70-D116 IonicContact NH2-OD1 2.75Å; R70-D116 PolarHBondContact NH2-OD1 2.93Å; R70-D116 IonicContact NH2-OD2 3.37Å; V112-D116 HydrophobicContact CB-CB 3.97Å; E113-D116 PolarHBondContact N-OD2 3.28Å; E113-D116 PolarHBondContact O-N 3.35Å; E113-D116 VanDerWaalsContact O-N 3.08Å; A114-D116 VanDerWaalsContact C-N 3.35Å; A114-D116 PolarHBondContact O-N 3.31Å; D116-T120 WeakPolarHBondContact O-CB 3.47Å; D116-T120 PolarHBondContact O-N 2.8Å; D116-T120 PolarHBondContact O-OG1 3.12Å; D116-K253 CarbonylContact C-O 3.52Å; D116-K253 VanDerWaalsContact CA-O 3.31Å; D116-K253 WeakPolarHBondContact CA-O 3.34Å; D116-K253 HydrophobicContact CB-CB 4Å; D116-K253 WeakPolarHBondContact OD1-CB 3.35Å; D116-K253 PolarHBondContact OD1-N 3.48Å; D116-V256 HydrophobicContact CB-CG2 3.88Å
117V97.8Very high96.2Very high1 Ų130.3 Ų30.31%0.00617%0.17CC..Hα-helixtrans-67.6-45.7175.1176.50000110.4V61 L107 V109 V112 E113 A114 T120 L121 L258V61-V117 HydrophobicContact CG1-CB 3.77Å; V61-V117 HydrophobicContact CG1-CG1 3.74Å; V61-V117 HydrophobicContact CG1-CG2 4.45Å; V61-V117 HydrophobicContact CG2-CG1 4.31Å; L107-V117 HydrophobicContact CB-CG1 4.34Å; L107-V117 HydrophobicContact CD1-CG1 4.07Å; V109-V117 HydrophobicContact CB-CG2 3.74Å; V109-V117 HydrophobicContact CG2-CG1 4.45Å; V109-V117 HydrophobicContact CG2-CG2 3.68Å; V112-V117 HydrophobicContact CG2-CG2 3.91Å; E113-V117 PolarHBondContact O-N 3.33Å; A114-V117 PolarHBondContact O-N 2.97Å; V117-T120 PolarHBondContact O-N 3.02Å; V117-L121 HydrophobicContact CG1-CD1 4.13Å; V117-L121 WeakPolarHBondContact O-CG 3.35Å; V117-L121 PolarHBondContact O-N 2.96Å; V117-L258 HydrophobicContact CB-CD2 4.44Å; V117-L258 HydrophobicContact CG1-CD1 4.32Å; V117-L258 HydrophobicContact CG1-CD2 3.88Å; V117-L258 HydrophobicContact CG2-CD2 4.18Å
118I98.2Very high96.1Very high0 Ų032.4 Ų32.40%019%0.189CC..Hα-helixtrans-60.3-46.8175.4-71170.2000110.4L11 D13 V61 A114 D115 T120 L121 A122 I134 M141L11-I118 HydrophobicContact CB-CG1 4.47Å; L11-I118 HydrophobicContact CB-CG2 4.12Å; L11-I118 HydrophobicContact CD1-CG2 4.08Å; L11-I118 WeakPolarHBondContact CD1-O 2.92Å; D13-I118 HydrophobicContact CB-CD1 3.93Å; V61-I118 HydrophobicContact CB-CD1 4.13Å; V61-I118 HydrophobicContact CB-CG1 3.87Å; V61-I118 HydrophobicContact CG1-CG1 4.31Å; V61-I118 HydrophobicContact CG2-CD1 4.38Å; V61-I118 HydrophobicContact CG2-CG1 3.69Å; A114-I118 VanDerWaalsContact O-CG1 3.31Å; A114-I118 WeakPolarHBondContact O-CG1 3.4Å; A114-I118 PolarHBondContact O-N 3.28Å; D115-I118 PolarHBondContact O-N 3.06Å; I118-T120 PolarHBondContact O-N 2.84Å; I118-L121 PolarHBondContact O-N 3.34Å; I118-A122 VanDerWaalsContact O-CB 3.27Å; I118-A122 WeakPolarHBondContact O-CB 3.42Å; I118-A122 PolarHBondContact O-N 3.18Å; I118-I134 HydrophobicContact CG2-CD1 3.86Å; I118-I134 HydrophobicContact CG2-CG1 4.12Å; I118-I134 HydrophobicContact CG2-CG2 3.74Å; I118-M141 HydrophobicContact CG2-SD 4.07Å
119G97.7Very high95.9Very high0 Ų032.9 Ų32.90%020%0.199CC..Hα-helixtrans-60.1-43.8178.800000112.8D115 A122 R123D115-G119 PolarHBondContact O-N 3.29Å; G119-A122 PolarHBondContact O-N 3.44Å; G119-R123 WeakPolarHBondContact O-CG 3.39Å; G119-R123 PolarHBondContact O-N 3.44Å; G119-R123 VanDerWaalsContact O-N 3.07Å
120T98.2Very high95.8Very high12 Ų1233.8 Ų33.87%0.07420%0.198CC..Hα-helixtrans-60.6-51.2176.4-58.90000111.3D116 V117 I118 A122 R123 E124 K253 T254 D255 V256 L258D116-T120 WeakPolarHBondContact O-CB 3.47Å; D116-T120 PolarHBondContact O-N 2.8Å; D116-T120 PolarHBondContact O-OG1 3.12Å; V117-T120 PolarHBondContact O-N 3.02Å; I118-T120 PolarHBondContact O-N 2.84Å; T120-A122 PolarHBondContact O-N 3.26Å; T120-R123 PolarHBondContact O-N 2.88Å; T120-E124 WeakPolarHBondContact O-CB 3.48Å; T120-E124 PolarHBondContact O-N 3.47Å; T120-K253 PolarHBondContact OG1-O 3.47Å; T120-T254 WeakPolarHBondContact OG1-CA 3.29Å; T120-D255 PolarHBondContact OG1-N 3.23Å; T120-V256 HydrophobicContact CG2-CB 4.35Å; T120-V256 WeakPolarHBondContact OG1-CB 3.34Å; T120-V256 WeakPolarHBondContact OG1-CG2 3.46Å; T120-V256 PolarHBondContact OG1-N 2.89Å; T120-V256 VanDerWaalsContact OG1-N 3.13Å; T120-L258 HydrophobicContact CG2-CD1 3.78Å; T120-L258 HydrophobicContact CG2-CG 4.3Å
121L97.8Very high95.9Very high0 Ų030.9 Ų30.90%018%0.177CC..Hα-helixtrans-63.6-38.6179.2-70.8169.9000112.9L11 L107 V117 I118 E124 A125 L258 C262 L265L11-L121 HydrophobicContact CD1-CB 3.84Å; L11-L121 HydrophobicContact CD2-CB 4.15Å; L11-L121 HydrophobicContact CD2-CD1 3.94Å; L107-L121 HydrophobicContact CD1-CD1 3.68Å; V117-L121 HydrophobicContact CG1-CD1 4.13Å; V117-L121 WeakPolarHBondContact O-CG 3.35Å; V117-L121 PolarHBondContact O-N 2.96Å; I118-L121 PolarHBondContact O-N 3.34Å; L121-E124 PolarHBondContact O-N 2.93Å; L121-A125 WeakPolarHBondContact O-CB 3.43Å; L121-A125 PolarHBondContact O-N 3.16Å; L121-L258 HydrophobicContact CD1-CD1 4.36Å; L121-L258 HydrophobicContact CD2-CD1 3.63Å; L121-L258 HydrophobicContact CG-CD1 3.61Å; L121-C262 HydrophobicContact CD2-CB 4.32Å; L121-L265 HydrophobicContact CD1-CD1 3.8Å; L121-L265 HydrophobicContact CD2-CD1 3.84Å; L121-L265 HydrophobicContact CG-CD1 4.35Å
122A97.6Very high96.1Very high0 Ų029.3 Ų29.30%016%0.16CC..Hα-helixtrans-64.3-43.6178.600000111.4L11 I118 G119 T120 E126 V132 I134 I149L11-A122 HydrophobicContact CD1-CB 4Å; I118-A122 VanDerWaalsContact O-CB 3.27Å; I118-A122 WeakPolarHBondContact O-CB 3.42Å; I118-A122 PolarHBondContact O-N 3.18Å; G119-A122 PolarHBondContact O-N 3.44Å; T120-A122 PolarHBondContact O-N 3.26Å; A122-E126 WeakPolarHBondContact O-CB 3.32Å; A122-E126 PolarHBondContact O-N 3.44Å; A122-V132 HydrophobicContact CB-CG1 4.08Å; A122-I134 HydrophobicContact CB-CD1 4.09Å; A122-I149 HydrophobicContact CB-CD1 4.04Å; A122-I149 HydrophobicContact CB-CG2 4.46Å
123R97Very high96.2Very high63 Ų6328.4 Ų28.424%0.23816%0.155CC..Hα-helixtrans-69.3-36.1176.6-68.3-58.3-175.1-172.3-3.2112.7G119 T120 E126 K127 T254G119-R123 WeakPolarHBondContact O-CG 3.39Å; G119-R123 PolarHBondContact O-N 3.44Å; G119-R123 VanDerWaalsContact O-N 3.07Å; T120-R123 PolarHBondContact O-N 2.88Å; R123-E126 IonicContact CZ-OE2 3.58Å; R123-E126 IonicContact NH1-OE2 4Å; R123-E126 PolarHBondContact NH1-OE2 3.27Å; R123-K127 WeakPolarHBondContact O-CB 3.46Å; R123-K127 VanDerWaalsContact O-CG 3.24Å; R123-K127 WeakPolarHBondContact O-CG 3.27Å; R123-K127 PolarHBondContact O-N 2.86Å; R123-T254 HydrophobicContact CG-CG2 3.87Å
124E96.3Very high96.3Very high59 Ų5927.6 Ų27.628%0.27615%0.151SC..Hα-helixtrans-62.7-49.5174.3-165.9-164.1137.100111.3T120 L121 E126 K127 A128 T261 C262T120-E124 WeakPolarHBondContact O-CB 3.48Å; T120-E124 PolarHBondContact O-N 3.47Å; L121-E124 PolarHBondContact O-N 2.93Å; E124-E126 PolarHBondContact O-N 3.13Å; E124-K127 WeakPolarHBondContact O-CB 3.42Å; E124-K127 PolarHBondContact O-N 2.82Å; E124-A128 PolarHBondContact O-N 3.36Å; E124-T261 WeakPolarHBondContact OE1-CA 3.34Å; E124-T261 WeakPolarHBondContact OE1-CB 3.29Å; E124-C262 HydrophobicContact CB-CB 4.44Å; E124-C262 HydrophobicContact CG-CB 4.47Å; E124-C262 PolarHBondContact OE1-N 3.4Å; E124-C262 PolarHBondContact OE1-SG 2.88Å
125A95.8Very high96.3Very high0 Ų027.5 Ų27.50%015%0.15CC..Hα-helixtrans-64.5-40.8178.900000112.7L9 L121 K127 A128 G129 R130 V132 C262L9-A125 HydrophobicContact CD2-CB 3.59Å; L121-A125 WeakPolarHBondContact O-CB 3.43Å; L121-A125 PolarHBondContact O-N 3.16Å; A125-K127 PolarHBondContact O-N 3.06Å; A125-A128 CarbonylContact O-C 3.6Å; A125-A128 PolarHBondContact O-N 3.31Å; A125-A128 VanDerWaalsContact O-N 3.16Å; A125-G129 PolarHBondContact O-N 3.22Å; A125-R130 CarbonylContact C-O 3.44Å; A125-R130 HydrophobicContact CB-CB 4.35Å; A125-R130 PolarHBondContact O-N 3.17Å; A125-V132 HydrophobicContact CB-CG2 3.59Å; A125-C262 HydrophobicContact CB-CB 4Å
126E94.9Very high96.2Very high42 Ų4227.2 Ų27.220%0.19615%0.149CC..Hα-helixtrans-59.3-44.6173.9174175.7-126.900111.6A122 R123 E124 A128 G129 T146 N148 I149A122-E126 WeakPolarHBondContact O-CB 3.32Å; A122-E126 PolarHBondContact O-N 3.44Å; R123-E126 IonicContact CZ-OE2 3.58Å; R123-E126 IonicContact NH1-OE2 4Å; R123-E126 PolarHBondContact NH1-OE2 3.27Å; E124-E126 PolarHBondContact O-N 3.13Å; E126-A128 VanDerWaalsContact C-N 3.26Å; E126-A128 PolarHBondContact O-N 2.78Å; E126-G129 WeakPolarHBondContact O-CA 3.3Å; E126-G129 PolarHBondContact O-N 3.01Å; E126-T146 WeakPolarHBondContact OE1-CB 3.4Å; E126-T146 VanDerWaalsContact OE1-CG2 3.28Å; E126-T146 WeakPolarHBondContact OE1-CG2 3.39Å; E126-T146 PolarHBondContact OE1-OG1 3.27Å; E126-N148 HydrophobicContact CG-CB 4.27Å; E126-I149 HydrophobicContact CB-CD1 4.06Å; E126-I149 HydrophobicContact CB-CG1 4.28Å
127K94.5Very high95.7Very high179 Ų17929.3 Ų29.378%0.77817%0.171SC*.Hα-helixtrans-62.7-33.7175.5-74.4170-175.1172.50112.3R123 E124 A125 G129R123-K127 WeakPolarHBondContact O-CB 3.46Å; R123-K127 VanDerWaalsContact O-CG 3.24Å; R123-K127 WeakPolarHBondContact O-CG 3.27Å; R123-K127 PolarHBondContact O-N 2.86Å; E124-K127 WeakPolarHBondContact O-CB 3.42Å; E124-K127 PolarHBondContact O-N 2.82Å; A125-K127 PolarHBondContact O-N 3.06Å; K127-G129 PolarHBondContact O-N 2.88Å
128A93.4Very high95.4Very high60 Ų6031.7 Ų31.750%0.49618%0.183SC..THydrogen-bonded Turntrans-76.41172.700000113.4E124 A125 E126 R130E124-A128 PolarHBondContact O-N 3.36Å; A125-A128 CarbonylContact O-C 3.6Å; A125-A128 PolarHBondContact O-N 3.31Å; A125-A128 VanDerWaalsContact O-N 3.16Å; E126-A128 VanDerWaalsContact C-N 3.26Å; E126-A128 PolarHBondContact O-N 2.78Å; A128-R130 VanDerWaalsContact C-N 3.32Å; A128-R130 PolarHBondContact O-N 3.09Å
129G91.5Very high95.1Very high57 Ų5734.8 Ų34.859%0.58820%0.197SC*.THydrogen-bonded Turntrans75.716.4179.600000114.2A125 E126 K127A125-G129 PolarHBondContact O-N 3.22Å; E126-G129 WeakPolarHBondContact O-CA 3.3Å; E126-G129 PolarHBondContact O-N 3.01Å; K127-G129 PolarHBondContact O-N 2.88Å
130R93.5Very high94.9Very high58 Ų5835.2 Ų35.222%0.21920%0.199CC..  trans-95.3129.6179.3-178.6178.9-72.3-131.615.6110.8L9 H57 A125 A128L9-R130 HydrophobicContact CB-CG 4.45Å; H57-R130 PolarHBondContact CD2-NH1 2.98Å; H57-R130 VanDerWaalsContact CD2-NH1 3.28Å; H57-R130 PolarHBondContact CE1-NH1 3.27Å; H57-R130 PolarHBondContact CE1-NH2 3.31Å; H57-R130 PolarHBondContact ND1-NH1 3.2Å; H57-R130 PolarHBondContact NE2-NH1 3.12Å; H57-R130 PolarHBondContact NE2-NH2 3.44Å; A125-R130 CarbonylContact C-O 3.44Å; A125-R130 HydrophobicContact CB-CB 4.35Å; A125-R130 PolarHBondContact O-N 3.17Å; A128-R130 VanDerWaalsContact C-N 3.32Å; A128-R130 PolarHBondContact O-N 3.09Å
131P94.9Very high94.9Very high33 Ų3334.7 Ų34.721%0.21420%0.196CC..  trans-64.2144.3172.4-22.333.5000113.1P5 P8 L9 N148P5-P131 HydrophobicContact CB-CB 3.69Å; P5-P131 HydrophobicContact CB-CG 3.72Å; P5-P131 HydrophobicContact CG-CB 3.75Å; P5-P131 HydrophobicContact CG-CG 4.08Å; P8-P131 CarbonylContact C-O 3.5Å; P8-P131 VanDerWaalsContact CA-O 3.32Å; P8-P131 WeakPolarHBondContact CA-O 3.39Å; P8-P131 HydrophobicContact CB-CB 4.35Å; L9-P131 PolarHBondContact N-O 3.41Å; P131-N148 WeakPolarHBondContact CA-O 3.42Å
132V97.6Very high94.8Very high1 Ų134.7 Ų34.71%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-123.4137-178.2-173.50000110.6L9 L11 A122 A125 I134 N148 I149 T150L9-V132 HydrophobicContact CB-CG2 4.47Å; L9-V132 WeakPolarHBondContact O-CA 3.26Å; L11-V132 HydrophobicContact CD1-CG1 3.91Å; L11-V132 HydrophobicContact CG-CG1 4.3Å; A122-V132 HydrophobicContact CB-CG1 4.08Å; A125-V132 HydrophobicContact CB-CG2 3.59Å; V132-I134 HydrophobicContact CG1-CG1 3.98Å; V132-N148 PolarHBondContact N-O 3.29Å; V132-I149 HydrophobicContact CB-CB 4.48Å; V132-I149 HydrophobicContact CB-CG1 4.11Å; V132-I149 HydrophobicContact CB-CG2 4.36Å; V132-I149 HydrophobicContact CG1-CG2 4.49Å; V132-I149 HydrophobicContact CG2-CG1 4.29Å; V132-T150 PolarHBondContact O-N 3.29Å; V132-T150 PolarHBondContact O-OG1 3.41Å
133L97.2Very high94.8Very high0 Ų035.4 Ų35.40%020%0.199CC..EExtended strand (participates in β ladder)trans-121.4110.3171.1-179.368.6000109I4 P8 L9 I10 L11 Y53 T150 I152I4-L133 HydrophobicContact CD1-CD1 3.69Å; I4-L133 HydrophobicContact CD1-CD2 4.06Å; I4-L133 HydrophobicContact CG1-CD1 4.02Å; I4-L133 HydrophobicContact CG2-CD1 4.3Å; I4-L133 HydrophobicContact CG2-CD2 4.08Å; P8-L133 HydrophobicContact CB-CB 4.04Å; P8-L133 HydrophobicContact CG-CB 3.88Å; P8-L133 HydrophobicContact CG-CD2 4.4Å; L9-L133 PolarHBondContact O-N 2.92Å; I10-L133 WeakPolarHBondContact CA-O 2.96Å; I10-L133 HydrophobicContact CD1-CD2 4.21Å; I10-L133 HydrophobicContact CG1-CB 4.37Å; I10-L133 HydrophobicContact CG1-CD2 4.35Å; L11-L133 PolarHBondContact N-O 2.71Å; Y53-L133 HydrophobicContact CD1-CD2 4.16Å; Y53-L133 HydrophobicContact CD2-CD2 4.08Å; Y53-L133 HydrophobicContact CE1-CD2 4.02Å; Y53-L133 HydrophobicContact CE2-CD2 3.94Å; Y53-L133 HydrophobicContact CG-CD2 4.2Å; L133-T150 CarbonylContact C-O 3.42Å; L133-T150 WeakPolarHBondContact CA-O 3.26Å; L133-T150 WeakPolarHBondContact CD1-OG1 3.5Å; L133-I152 HydrophobicContact CD1-CB 3.97Å; L133-I152 HydrophobicContact CD1-CG2 3.69Å; L133-I152 HydrophobicContact CD2-CG2 4.01Å; L133-I152 HydrophobicContact CG-CG2 3.78Å
134I97.9Very high94.9Very high0 Ų032.6 Ų32.60%019%0.189CC..EExtended strand (participates in β ladder)trans-93.3119.6177.1-53.6173.2000108.4L11 I118 A122 V132 T136 M141 L144 I149 T150 L151 I152L11-I134 HydrophobicContact CB-CG1 4.42Å; L11-I134 CarbonylContact O-C 3.53Å; L11-I134 WeakPolarHBondContact O-CA 3.44Å; I118-I134 HydrophobicContact CG2-CD1 3.86Å; I118-I134 HydrophobicContact CG2-CG1 4.12Å; I118-I134 HydrophobicContact CG2-CG2 3.74Å; A122-I134 HydrophobicContact CB-CD1 4.09Å; V132-I134 HydrophobicContact CG1-CG1 3.98Å; I134-T136 HydrophobicContact CG2-CG2 3.86Å; I134-M141 HydrophobicContact CG2-SD 4.23Å; I134-L144 HydrophobicContact CD1-CB 4.33Å; I134-L144 HydrophobicContact CD1-CD1 3.92Å; I134-I149 HydrophobicContact CD1-CG2 3.72Å; I134-I149 HydrophobicContact CG1-CG2 4.24Å; I134-T150 PolarHBondContact N-O 3.13Å; I134-L151 HydrophobicContact CB-CD2 3.68Å; I134-L151 HydrophobicContact CD1-CD2 3.94Å; I134-L151 HydrophobicContact CG1-CD2 4.24Å; I134-L151 HydrophobicContact CG2-CD2 4.24Å; I134-L151 CarbonylContact O-C 3.52Å; I134-L151 VanDerWaalsContact O-CA 3.3Å; I134-L151 WeakPolarHBondContact O-CA 3.41Å; I134-I152 PolarHBondContact O-N 2.82Å
135S96.4Very high94.9Very high0 Ų030 Ų300%018%0.177CC..EExtended strand (participates in β ladder)trans-95104.8175.2-164.40000110.5L11 D13 Y17 I152 T154L11-S135 PolarHBondContact O-N 2.92Å; D13-S135 PolarHBondContact N-O 2.97Å; D13-S135 VanDerWaalsContact N-O 3.1Å; Y17-S135 PolarHBondContact OH-OG 3.19Å; S135-I152 WeakPolarHBondContact CA-O 3.49Å; S135-I152 PolarHBondContact OG-O 3Å; S135-T154 WeakPolarHBondContact OG-CG2 3.36Å
136T94.6Very high95Very high7 Ų730.9 Ų30.94%0.04318%0.182CC..  trans-155.8154-175.9-176.40000110.8D13 I134 D138 M141 L151 I152D13-T136 PolarHBondContact OD2-OG1 3.4Å; D13-T136 VanDerWaalsContact OD2-OG1 3.06Å; I134-T136 HydrophobicContact CG2-CG2 3.86Å; T136-D138 WeakPolarHBondContact OG1-CB 3.45Å; T136-D138 PolarHBondContact OG1-N 2.87Å; T136-M141 HydrophobicContact CG2-CB 3.69Å; T136-M141 HydrophobicContact CG2-CG 3.57Å; T136-L151 HydrophobicContact CG2-CD2 4.49Å; T136-I152 PolarHBondContact N-O 3.38Å
137G87.7Confident94.9Very high44 Ų4434.1 Ų34.145%0.45421%0.207SC..  trans-96-7.3166.700000113.2
138D91.4Very high94.9Very high50 Ų5029 Ų2927%0.26719%0.189SC..  trans-71136.8-174.7-150.9-48.4000111.2T136 D140 M141T136-D138 WeakPolarHBondContact OG1-CB 3.45Å; T136-D138 PolarHBondContact OG1-N 2.87Å; D138-D140 PolarHBondContact OD1-N 2.92Å; D138-M141 HydrophobicContact CB-CG 4.06Å
139K91.7Very high95Very high66 Ų6626.2 Ų26.229%0.28717%0.165SC..SBendtrans-77.5-28177.568.4-179.3177172.80111.3M141 A142 Y169 L180 D185K139-M141 PolarHBondContact O-N 3.05Å; K139-A142 WeakPolarHBondContact O-CB 3.25Å; K139-A142 PolarHBondContact O-N 3.49Å; K139-Y169 WeakPolarHBondContact CA-OH 3.43Å; K139-Y169 HydrophobicContact CB-CE1 4.17Å; K139-Y169 WeakPolarHBondContact CB-OH 3.45Å; K139-L180 HydrophobicContact CD-CD2 4.23Å; K139-D185 WeakPolarHBondContact CE-OD1 3.29Å; K139-D185 VanDerWaalsContact NZ-CG 3.33Å; K139-D185 IonicContact NZ-OD1 2.82Å; K139-D185 PolarHBondContact NZ-OD1 3.11Å
140D94Very high95.3Very high9 Ų923.7 Ų23.75%0.04814%0.138CC..G310 helixtrans-67.4-29.7-173.8-66.4-1.9000110.6D138 A142 Q143 L180D138-D140 PolarHBondContact OD1-N 2.92Å; D140-A142 PolarHBondContact O-N 3.33Å; D140-A142 VanDerWaalsContact O-N 3.07Å; D140-Q143 WeakPolarHBondContact O-CG 3.46Å; D140-Q143 PolarHBondContact O-N 3.24Å; D140-Q143 PolarHBondContact O-NE2 3.28Å; D140-L180 HydrophobicContact CB-CD1 4.32Å; D140-L180 WeakPolarHBondContact OD1-CD1 3.41Å
141M96.8Very high95.5Very high0 Ų021.2 Ų21.20%013%0.129CC..G310 helixtrans-56.5-20.1171.3-71.2-73.8138.500114.4D115 I118 I134 T136 D138 K139 Q143 L144 L151 I252D115-M141 HydrophobicContact CB-CE 3.18Å; D115-M141 WeakPolarHBondContact OD1-CE 3.4Å; D115-M141 VanDerWaalsContact OD2-CE 3.23Å; D115-M141 WeakPolarHBondContact OD2-CE 3.18Å; I118-M141 HydrophobicContact CG2-SD 4.07Å; I134-M141 HydrophobicContact CG2-SD 4.23Å; T136-M141 HydrophobicContact CG2-CB 3.69Å; T136-M141 HydrophobicContact CG2-CG 3.57Å; D138-M141 HydrophobicContact CB-CG 4.06Å; K139-M141 PolarHBondContact O-N 3.05Å; M141-Q143 PolarHBondContact O-N 3.41Å; M141-Q143 VanDerWaalsContact O-N 3.17Å; M141-L144 HydrophobicContact CE-CD1 4.46Å; M141-L144 WeakPolarHBondContact O-CB 3.12Å; M141-L144 PolarHBondContact O-N 3.36Å; M141-L144 HydrophobicContact SD-CD1 3.72Å; M141-L151 HydrophobicContact CB-CD1 3.94Å; M141-L151 HydrophobicContact CB-CD2 4.11Å; M141-I252 HydrophobicContact CE-CD1 3.5Å; M141-I252 VanDerWaalsContact CE-CD1 3.5Å; M141-I252 HydrophobicContact SD-CD1 4.16Å
142A96.9Very high95.4Very high0 Ų019.7 Ų19.70%012%0.119CC..G310 helixtrans-61.3-23.1178.200000113K139 D140 L144 V145 L151 V165 Y169 I176K139-A142 WeakPolarHBondContact O-CB 3.25Å; K139-A142 PolarHBondContact O-N 3.49Å; D140-A142 PolarHBondContact O-N 3.33Å; D140-A142 VanDerWaalsContact O-N 3.07Å; A142-L144 PolarHBondContact O-N 3.48Å; A142-V145 WeakPolarHBondContact O-CB 3.01Å; A142-V145 PolarHBondContact O-N 3.26Å; A142-L151 HydrophobicContact CB-CD1 4.4Å; A142-V165 HydrophobicContact CB-CG1 4.36Å; A142-V165 HydrophobicContact CB-CG2 4.36Å; A142-Y169 HydrophobicContact CB-CD2 4.25Å; A142-Y169 HydrophobicContact CB-CE2 3.62Å; A142-I176 HydrophobicContact CB-CD1 4.05Å; A142-I176 HydrophobicContact CB-CG1 4.05Å; A142-I176 HydrophobicContact CB-CG2 4.19Å
143Q97.7Very high94.9Very high16 Ų1621.8 Ų21.88%0.07513%0.13CC..G310 helixtrans-66.8-19.3175.175.8-169.9-92.100113.7D140 M141 I176 I177 A250 I252D140-Q143 WeakPolarHBondContact O-CG 3.46Å; D140-Q143 PolarHBondContact O-N 3.24Å; D140-Q143 PolarHBondContact O-NE2 3.28Å; M141-Q143 PolarHBondContact O-N 3.41Å; M141-Q143 VanDerWaalsContact O-N 3.17Å; Q143-I176 HydrophobicContact CB-CB 4Å; Q143-I176 HydrophobicContact CB-CG2 3.92Å; Q143-I177 HydrophobicContact CB-CD1 4.49Å; Q143-I177 HydrophobicContact CB-CG1 3.88Å; Q143-I177 HydrophobicContact CG-CG1 4.39Å; Q143-I177 VanDerWaalsContact OE1-CD1 3.31Å; Q143-A250 PolarHBondContact NE2-O 2.69Å; Q143-I252 HydrophobicContact CG-CB 4.45Å; Q143-I252 HydrophobicContact CG-CD1 3.84Å; Q143-I252 HydrophobicContact CG-CG1 4.32Å
144L97.8Very high94.2Very high3 Ų323 Ų232%0.01614%0.138CC..G310 helixtrans-87.7-10.7179.6-61.6174.3000112.9I134 M141 A142 T146 I149 I252 T254I134-L144 HydrophobicContact CD1-CB 4.33Å; I134-L144 HydrophobicContact CD1-CD1 3.92Å; M141-L144 HydrophobicContact CE-CD1 4.46Å; M141-L144 WeakPolarHBondContact O-CB 3.12Å; M141-L144 PolarHBondContact O-N 3.36Å; M141-L144 HydrophobicContact SD-CD1 3.72Å; A142-L144 PolarHBondContact O-N 3.48Å; L144-T146 PolarHBondContact O-N 3.12Å; L144-I149 HydrophobicContact CB-CG2 4.5Å; L144-I149 WeakPolarHBondContact O-CB 3.38Å; L144-I149 WeakPolarHBondContact O-CD1 3.42Å; L144-I149 WeakPolarHBondContact O-CG2 3.17Å; L144-I252 HydrophobicContact CD1-CD1 4.04Å; L144-I252 HydrophobicContact CD1-CG2 4.47Å; L144-I252 HydrophobicContact CD2-CG2 4.28Å; L144-I252 HydrophobicContact CG-CD1 4.14Å; L144-T254 HydrophobicContact CD2-CG2 3.96Å
145V97.7Very high92.9Very high4 Ų429 Ų292%0.02417%0.167CC..  trans-65.9131.4-173.41720000111.3A142 I149 L151 G161 P162 V165 P173A142-V145 WeakPolarHBondContact O-CB 3.01Å; A142-V145 PolarHBondContact O-N 3.26Å; V145-I149 WeakPolarHBondContact CA-O 3.45Å; V145-L151 HydrophobicContact CG2-CD1 3.85Å; V145-L151 HydrophobicContact CG2-CD2 4.12Å; V145-L151 HydrophobicContact CG2-CG 3.57Å; V145-G161 VanDerWaalsContact CG1-C 3.48Å; V145-P162 HydrophobicContact CG1-CG 4.05Å; V145-V165 HydrophobicContact CB-CG2 4.03Å; V145-V165 HydrophobicContact CG1-CG2 3.94Å; V145-V165 HydrophobicContact CG2-CG2 3.88Å; V145-P173 HydrophobicContact CB-CB 4.13Å; V145-P173 HydrophobicContact CB-CG 3.93Å; V145-P173 HydrophobicContact CG1-CG 3.95Å; V145-P173 VanDerWaalsContact O-CB 3.22Å; V145-P173 WeakPolarHBondContact O-CB 3.42Å
146T95.8Very high91.9Very high19 Ų1932.8 Ų32.812%0.11719%0.191CC..  trans-141.8177.6173.871.80000108.9E126 L144 N148 I149E126-T146 WeakPolarHBondContact OE1-CB 3.4Å; E126-T146 VanDerWaalsContact OE1-CG2 3.28Å; E126-T146 WeakPolarHBondContact OE1-CG2 3.39Å; E126-T146 PolarHBondContact OE1-OG1 3.27Å; L144-T146 PolarHBondContact O-N 3.12Å; T146-N148 PolarHBondContact O-N 3.23Å; T146-N148 VanDerWaalsContact O-N 3.11Å; T146-N148 PolarHBondContact OG1-N 3.19Å; T146-N148 VanDerWaalsContact OG1-N 3.13Å; T146-I149 HydrophobicContact CG2-CD1 4.32Å; T146-I149 PolarHBondContact N-O 2.68Å; T146-I149 VanDerWaalsContact N-O 3.11Å; T146-I149 PolarHBondContact O-N 3.31Å; T146-I149 PolarHBondContact OG1-N 3.42Å; T146-I149 VanDerWaalsContact OG1-N 3.07Å
147P93Very high91.2Very high111 Ų11136.7 Ų36.772%0.72121%0.211SC*.SBendtrans-56.3-23.3170.3-27.937.6000114.5P162P147-P162 HydrophobicContact CG-CG 4.48Å
148N94.4Very high91.1Very high72 Ų7237.8 Ų37.839%0.38521%0.209SC..SBendtrans-103.2-13.1179.3-70.9-33.4000113.9E126 P131 V132 T146E126-N148 HydrophobicContact CG-CB 4.27Å; P131-N148 WeakPolarHBondContact CA-O 3.42Å; V132-N148 PolarHBondContact N-O 3.29Å; T146-N148 PolarHBondContact O-N 3.23Å; T146-N148 VanDerWaalsContact O-N 3.11Å; T146-N148 PolarHBondContact OG1-N 3.19Å; T146-N148 VanDerWaalsContact OG1-N 3.13Å
149I97.2Very high91.2Very high0 Ų037.6 Ų37.60%021%0.208CC..EExtended strand (participates in β ladder)trans-118115.6-179.7-57170.2000109.1A122 E126 V132 I134 L144 V145 T146A122-I149 HydrophobicContact CB-CD1 4.04Å; A122-I149 HydrophobicContact CB-CG2 4.46Å; E126-I149 HydrophobicContact CB-CD1 4.06Å; E126-I149 HydrophobicContact CB-CG1 4.28Å; V132-I149 HydrophobicContact CB-CB 4.48Å; V132-I149 HydrophobicContact CB-CG1 4.11Å; V132-I149 HydrophobicContact CB-CG2 4.36Å; V132-I149 HydrophobicContact CG1-CG2 4.49Å; V132-I149 HydrophobicContact CG2-CG1 4.29Å; I134-I149 HydrophobicContact CD1-CG2 3.72Å; I134-I149 HydrophobicContact CG1-CG2 4.24Å; L144-I149 HydrophobicContact CB-CG2 4.5Å; L144-I149 WeakPolarHBondContact O-CB 3.38Å; L144-I149 WeakPolarHBondContact O-CD1 3.42Å; L144-I149 WeakPolarHBondContact O-CG2 3.17Å; V145-I149 WeakPolarHBondContact CA-O 3.45Å; T146-I149 HydrophobicContact CG2-CD1 4.32Å; T146-I149 PolarHBondContact N-O 2.68Å; T146-I149 VanDerWaalsContact N-O 3.11Å; T146-I149 PolarHBondContact O-N 3.31Å; T146-I149 PolarHBondContact OG1-N 3.42Å; T146-I149 VanDerWaalsContact OG1-N 3.07Å
150T96.9Very high91.3Very high5 Ų535.1 Ų35.13%0.03120%0.198CC..EExtended strand (participates in β ladder)trans-118.2149.518053.90000111.4V2 V132 L133 I134V2-T150 HydrophobicContact CG1-CG2 4.29Å; V2-T150 HydrophobicContact CG2-CG2 4.32Å; V132-T150 PolarHBondContact O-N 3.29Å; V132-T150 PolarHBondContact O-OG1 3.41Å; L133-T150 CarbonylContact C-O 3.42Å; L133-T150 WeakPolarHBondContact CA-O 3.26Å; L133-T150 WeakPolarHBondContact CD1-OG1 3.5Å; I134-T150 PolarHBondContact N-O 3.13Å
151L96.9Very high91.3Very high5 Ų534.7 Ų34.73%0.02620%0.196CC..EExtended strand (participates in β ladder)trans-103.3147.3173.9-47.5-179.3000111.1I134 T136 M141 A142 V145 I159 L160I134-L151 HydrophobicContact CB-CD2 3.68Å; I134-L151 HydrophobicContact CD1-CD2 3.94Å; I134-L151 HydrophobicContact CG1-CD2 4.24Å; I134-L151 HydrophobicContact CG2-CD2 4.24Å; I134-L151 CarbonylContact O-C 3.52Å; I134-L151 VanDerWaalsContact O-CA 3.3Å; I134-L151 WeakPolarHBondContact O-CA 3.41Å; T136-L151 HydrophobicContact CG2-CD2 4.49Å; M141-L151 HydrophobicContact CB-CD1 3.94Å; M141-L151 HydrophobicContact CB-CD2 4.11Å; A142-L151 HydrophobicContact CB-CD1 4.4Å; V145-L151 HydrophobicContact CG2-CD1 3.85Å; V145-L151 HydrophobicContact CG2-CD2 4.12Å; V145-L151 HydrophobicContact CG2-CG 3.57Å; L151-I159 CarbonylContact O-C 3.58Å; L151-I159 VanDerWaalsContact O-CA 3.25Å; L151-I159 WeakPolarHBondContact O-CA 3.32Å; L151-I159 WeakPolarHBondContact O-CG2 3.46Å; L151-L160 HydrophobicContact CB-CB 4.18Å; L151-L160 HydrophobicContact CD1-CD1 4.33Å; L151-L160 PolarHBondContact N-O 3.36Å; L151-L160 PolarHBondContact O-N 3.05Å
152I93.9Very high91.2Very high2 Ų236.6 Ų36.61%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-131.8125.1169-175.8167.6000112.4I4 Y53 L133 I134 S135 T136 T154 I159I4-I152 HydrophobicContact CD1-CD1 4.43Å; Y53-I152 HydrophobicContact CE2-CD1 4.14Å; Y53-I152 WeakPolarHBondContact OH-CD1 3.37Å; L133-I152 HydrophobicContact CD1-CB 3.97Å; L133-I152 HydrophobicContact CD1-CG2 3.69Å; L133-I152 HydrophobicContact CD2-CG2 4.01Å; L133-I152 HydrophobicContact CG-CG2 3.78Å; I134-I152 PolarHBondContact O-N 2.82Å; S135-I152 WeakPolarHBondContact CA-O 3.49Å; S135-I152 PolarHBondContact OG-O 3Å; T136-I152 PolarHBondContact N-O 3.38Å; I152-T154 HydrophobicContact CD1-CG2 4.42Å; I152-T154 HydrophobicContact CG1-CG2 4.28Å; I152-I159 HydrophobicContact CD1-CG1 4.26Å; I152-I159 HydrophobicContact CG1-CG1 4.29Å
153N86.9Confident91.1Very high44 Ų4443.2 Ų43.224%0.23524%0.239CC..EExtended strand (participates in β ladder)trans-91.6104.3164.3-174.3-27.3000109.6M155 T156 N157 T158N153-M155 PolarHBondContact O-N 3.37Å; N153-M155 VanDerWaalsContact OD1-CB 3.22Å; N153-M155 WeakPolarHBondContact OD1-CB 3.32Å; N153-M155 PolarHBondContact OD1-N 3.21Å; N153-T156 PolarHBondContact O-N 2.91Å; N153-N157 VanDerWaalsContact O-CA 3.24Å; N153-N157 WeakPolarHBondContact O-CA 3.4Å; N153-N157 PolarHBondContact O-N 2.76Å; N153-T158 PolarHBondContact N-O 2.86Å; N153-T158 PolarHBondContact O-N 3.31Å
154T81.6Confident91Very high26 Ų2644.2 Ų44.216%0.1624%0.244CC..THydrogen-bonded Turntrans-71.1-4.7-178.354.50000114.5Y17 R20 L49 S135 I152Y17-T154 WeakPolarHBondContact OH-CG2 3.33Å; Y17-T154 PolarHBondContact OH-OG1 3.43Å; R20-T154 PolarHBondContact NH1-OG1 2.84Å; R20-T154 PolarHBondContact NH2-OG1 3.4Å; L49-T154 HydrophobicContact CD1-CG2 3.96Å; S135-T154 WeakPolarHBondContact OG-CG2 3.36Å; I152-T154 HydrophobicContact CD1-CG2 4.42Å; I152-T154 HydrophobicContact CG1-CG2 4.28Å
155M71.3Confident90.8Very high125 Ų12544.1 Ų44.162%0.61624%0.243SC*.THydrogen-bonded Turntrans-81.4-43.7172.2-168.2-168-63.200111.3R20 N153R20-M155 HydrophobicContact CG-CE 3.75Å; N153-M155 PolarHBondContact O-N 3.37Å; N153-M155 VanDerWaalsContact OD1-CB 3.22Å; N153-M155 WeakPolarHBondContact OD1-CB 3.32Å; N153-M155 PolarHBondContact OD1-N 3.21Å
156T76.6Confident90.7Very high81 Ų8146.7 Ų46.750%0.49726%0.259SS..THydrogen-bonded Turntrans-101-6.7-178.659.20000113N153 T158N153-T156 PolarHBondContact O-N 2.91Å; T156-T158 WeakPolarHBondContact CB-OG1 3.46Å; T156-T158 PolarHBondContact O-N 3.2Å; T156-T158 WeakPolarHBondContact OG1-CB 3.47Å; T156-T158 PolarHBondContact OG1-N 3.37Å; T156-T158 PolarHBondContact OG1-OG1 3.16Å
157N79.8Confident90.6Very high88 Ų8852.1 Ų52.147%0.47129%0.287SS..THydrogen-bonded Turntrans52.329-167.3-66-40000112.9N153N153-N157 VanDerWaalsContact O-CA 3.24Å; N153-N157 WeakPolarHBondContact O-CA 3.4Å; N153-N157 PolarHBondContact O-N 2.76Å
158T85.8Confident90.6Very high67 Ų6752.1 Ų52.141%0.41128%0.275SS..EExtended strand (participates in β ladder)trans-82.2127.4176.1-51.80000109.1N153 T156 L160N153-T158 PolarHBondContact N-O 2.86Å; N153-T158 PolarHBondContact O-N 3.31Å; T156-T158 WeakPolarHBondContact CB-OG1 3.46Å; T156-T158 PolarHBondContact O-N 3.2Å; T156-T158 WeakPolarHBondContact OG1-CB 3.47Å; T156-T158 PolarHBondContact OG1-N 3.37Å; T156-T158 PolarHBondContact OG1-OG1 3.16Å; T158-L160 HydrophobicContact CG2-CD2 4.1Å
159I92.4Very high90.6Very high47 Ų4749.7 Ų49.724%0.24126%0.261CS..EExtended strand (participates in β ladder)trans-108.2133.9176.6-51.6165000107.7V2 I4 L151 I152V2-I159 HydrophobicContact CG1-CB 4.05Å; V2-I159 HydrophobicContact CG1-CG2 3.28Å; I4-I159 HydrophobicContact CD1-CD1 3.54Å; I4-I159 HydrophobicContact CD1-CG1 4.05Å; I4-I159 HydrophobicContact CD1-CG2 4.15Å; I4-I159 HydrophobicContact CG1-CD1 4.04Å; I4-I159 HydrophobicContact CG1-CG2 4.08Å; L151-I159 CarbonylContact O-C 3.58Å; L151-I159 VanDerWaalsContact O-CA 3.25Å; L151-I159 WeakPolarHBondContact O-CA 3.32Å; L151-I159 WeakPolarHBondContact O-CG2 3.46Å; I152-I159 HydrophobicContact CD1-CG1 4.26Å; I152-I159 HydrophobicContact CG1-CG1 4.29Å
160L92.9Very high90.4Very high14 Ų1450.4 Ų50.47%0.07327%0.269CS..EExtended strand (participates in β ladder)trans-114.2111.2177.5-56.5177.7000110.1L151 T158 E164 V165 K168 Y169L151-L160 HydrophobicContact CB-CB 4.18Å; L151-L160 HydrophobicContact CD1-CD1 4.33Å; L151-L160 PolarHBondContact N-O 3.36Å; L151-L160 PolarHBondContact O-N 3.05Å; T158-L160 HydrophobicContact CG2-CD2 4.1Å; L160-E164 HydrophobicContact CB-CB 4.49Å; L160-E164 HydrophobicContact CD2-CB 3.9Å; L160-V165 HydrophobicContact CB-CG2 4.09Å; L160-K168 HydrophobicContact CD1-CD 3.89Å; L160-K168 HydrophobicContact CD2-CD 3.97Å; L160-Y169 HydrophobicContact CD1-CE2 4.43Å
161G94.6Very high90.3Very high0 Ų050.2 Ų50.20%027%0.267CS..  trans-99.6-175158.500000111.4V145 E163 E164 V165V145-G161 VanDerWaalsContact CG1-C 3.48Å; G161-E163 VanDerWaalsContact C-N 3.35Å; G161-E163 PolarHBondContact O-N 3.49Å; G161-E164 VanDerWaalsContact CA-OE2 3.25Å; G161-E164 WeakPolarHBondContact CA-OE2 3.31Å; G161-E164 PolarHBondContact N-OE2 3.31Å; G161-E164 VanDerWaalsContact N-OE2 3.07Å; G161-E164 PolarHBondContact O-N 3.3Å; G161-E164 VanDerWaalsContact O-N 3.13Å; G161-V165 WeakPolarHBondContact O-CG2 3.14Å; G161-V165 PolarHBondContact O-N 2.99Å
162P95.2Very high90.3Very high40 Ų4051.5 Ų51.526%0.2628%0.276SS..Hα-helixtrans-54.5-45.3-176.2-28.235.1000113.9V145 P147 V165 V166 P173V145-P162 HydrophobicContact CG1-CG 4.05Å; P147-P162 HydrophobicContact CG-CG 4.48Å; P162-V165 PolarHBondContact O-N 3.36Å; P162-V166 WeakPolarHBondContact O-CG2 3.25Å; P162-V166 PolarHBondContact O-N 3.48Å; P162-P173 HydrophobicContact CB-CG 4.4Å
163E94.4Very high90.4Very high139 Ų13951.8 Ų51.865%0.6528%0.278SS*.Hα-helixtrans-67.6-41177.6-66.4-176.2176.300111.9G161 V165 V166 N167G161-E163 VanDerWaalsContact C-N 3.35Å; G161-E163 PolarHBondContact O-N 3.49Å; E163-V165 VanDerWaalsContact C-N 3.31Å; E163-V165 PolarHBondContact O-N 2.94Å; E163-V166 PolarHBondContact O-N 2.82Å; E163-N167 WeakPolarHBondContact O-CB 3.27Å; E163-N167 PolarHBondContact O-N 2.66Å; E163-N167 PolarHBondContact O-ND2 2.91Å; E163-N167 VanDerWaalsContact O-ND2 3.11Å
164E95.2Very high90.8Very high37 Ų3756.1 Ų56.117%0.17330%0.297CS..Hα-helixtrans-67.5-31.1178.3-66.884.2-178.400112.6V2 L160 G161 N167 K168V2-E164 PolarHBondContact N-OE1 3.44Å; L160-E164 HydrophobicContact CB-CB 4.49Å; L160-E164 HydrophobicContact CD2-CB 3.9Å; G161-E164 VanDerWaalsContact CA-OE2 3.25Å; G161-E164 WeakPolarHBondContact CA-OE2 3.31Å; G161-E164 PolarHBondContact N-OE2 3.31Å; G161-E164 VanDerWaalsContact N-OE2 3.07Å; G161-E164 PolarHBondContact O-N 3.3Å; G161-E164 VanDerWaalsContact O-N 3.13Å; E164-N167 PolarHBondContact O-N 3.31Å; E164-K168 VanDerWaalsContact O-CB 3.24Å; E164-K168 WeakPolarHBondContact O-CB 3.49Å; E164-K168 PolarHBondContact O-N 2.99Å
165V95.3Very high91.6Very high0 Ų056.1 Ų56.10%030%0.296CS..Hα-helixtrans-63.5-47.6170.4169.80000110.4A142 V145 L160 G161 P162 E163 N167 K168 Y169 P173 I176A142-V165 HydrophobicContact CB-CG1 4.36Å; A142-V165 HydrophobicContact CB-CG2 4.36Å; V145-V165 HydrophobicContact CB-CG2 4.03Å; V145-V165 HydrophobicContact CG1-CG2 3.94Å; V145-V165 HydrophobicContact CG2-CG2 3.88Å; L160-V165 HydrophobicContact CB-CG2 4.09Å; G161-V165 WeakPolarHBondContact O-CG2 3.14Å; G161-V165 PolarHBondContact O-N 2.99Å; P162-V165 PolarHBondContact O-N 3.36Å; E163-V165 VanDerWaalsContact C-N 3.31Å; E163-V165 PolarHBondContact O-N 2.94Å; V165-N167 VanDerWaalsContact C-N 3.33Å; V165-N167 PolarHBondContact O-N 2.53Å; V165-K168 PolarHBondContact O-N 2.91Å; V165-Y169 HydrophobicContact CG1-CD2 3.95Å; V165-Y169 PolarHBondContact O-N 3.28Å; V165-P173 HydrophobicContact CB-CG 4.13Å; V165-P173 HydrophobicContact CG1-CG 3.94Å; V165-P173 HydrophobicContact CG2-CG 4.41Å; V165-I176 HydrophobicContact CG1-CD1 3.89Å; V165-I176 HydrophobicContact CG1-CG1 4.12Å
166V95.6Very high92.8Very high59 Ų5950.3 Ų50.336%0.35827%0.268SS..Hα-helixtrans-58.9-45.5175.2175.60000110.9P162 E163 K168 G170 V171 P172P162-V166 WeakPolarHBondContact O-CG2 3.25Å; P162-V166 PolarHBondContact O-N 3.48Å; E163-V166 PolarHBondContact O-N 2.82Å; V166-K168 VanDerWaalsContact C-N 3.29Å; V166-K168 PolarHBondContact O-N 2.63Å; V166-G170 WeakPolarHBondContact O-CA 3.08Å; V166-G170 PolarHBondContact O-N 2.85Å; V166-V171 WeakPolarHBondContact CA-O 3.47Å; V166-P172 HydrophobicContact CG2-CB 3.91Å
167N92.7Very high93.8Very high132 Ų13247.6 Ų47.671%0.70625%0.25SC*.Hα-helixtrans-64.1-34.9179.3-69.5-33.3000112.5E163 E164 V165E163-N167 WeakPolarHBondContact O-CB 3.27Å; E163-N167 PolarHBondContact O-N 2.66Å; E163-N167 PolarHBondContact O-ND2 2.91Å; E163-N167 VanDerWaalsContact O-ND2 3.11Å; E164-N167 PolarHBondContact O-N 3.31Å; V165-N167 VanDerWaalsContact C-N 3.33Å; V165-N167 PolarHBondContact O-N 2.53Å
168K92.9Very high94.7Very high111 Ų11144 Ų4448%0.48323%0.23SC..Hα-helixtrans-81.9-44.3-177.4-175.1177.4177.2-163.30113L160 E164 V165 V166L160-K168 HydrophobicContact CD1-CD 3.89Å; L160-K168 HydrophobicContact CD2-CD 3.97Å; E164-K168 VanDerWaalsContact O-CB 3.24Å; E164-K168 WeakPolarHBondContact O-CB 3.49Å; E164-K168 PolarHBondContact O-N 2.99Å; V165-K168 PolarHBondContact O-N 2.91Å; V166-K168 VanDerWaalsContact C-N 3.29Å; V166-K168 PolarHBondContact O-N 2.63Å
169Y93.9Very high95.2Very high21 Ų2141.1 Ų41.18%0.08221%0.212CC..Hα-helixtrans-109.5-6.2-171.9-58.5-70000113.8K139 A142 L160 V165 V171 I176 F179 Q202K139-Y169 WeakPolarHBondContact CA-OH 3.43Å; K139-Y169 HydrophobicContact CB-CE1 4.17Å; K139-Y169 WeakPolarHBondContact CB-OH 3.45Å; A142-Y169 HydrophobicContact CB-CD2 4.25Å; A142-Y169 HydrophobicContact CB-CE2 3.62Å; L160-Y169 HydrophobicContact CD1-CE2 4.43Å; V165-Y169 HydrophobicContact CG1-CD2 3.95Å; V165-Y169 PolarHBondContact O-N 3.28Å; Y169-V171 PolarHBondContact O-N 3.4Å; Y169-I176 HydrophobicContact CD2-CD1 3.83Å; Y169-I176 HydrophobicContact CG-CD1 4.02Å; Y169-F179 HydrophobicContact CD1-CE1 4.25Å; Y169-Q202 WeakPolarHBondContact O-CG 3.32Å; Y169-Q202 PolarHBondContact O-NE2 3.17Å
170G93.1Very high95.4Very high16 Ų1639 Ų3917%0.16520%0.201CC..SBendtrans74.9-1.9-177.700000114.4V166 Q206V166-G170 WeakPolarHBondContact O-CA 3.08Å; V166-G170 PolarHBondContact O-N 2.85Å; G170-Q206 WeakPolarHBondContact O-CG 3.4Å; G170-Q206 PolarHBondContact O-NE2 3.18Å
171V95.6Very high95.6Very high0 Ų038.4 Ų38.40%020%0.198CC..SBendtrans-133.5149.9-179.5-64.60000110V166 Y169 L175 I176 F179 Q202 L205V166-V171 WeakPolarHBondContact CA-O 3.47Å; Y169-V171 PolarHBondContact O-N 3.4Å; V171-L175 HydrophobicContact CB-CB 4.2Å; V171-I176 HydrophobicContact CG2-CD1 3.87Å; V171-F179 HydrophobicContact CG2-CB 3.94Å; V171-F179 HydrophobicContact CG2-CD1 4.4Å; V171-F179 HydrophobicContact CG2-CD2 4.41Å; V171-F179 HydrophobicContact CG2-CG 4.03Å; V171-Q202 HydrophobicContact CG1-CG 4.44Å; V171-L205 HydrophobicContact CG1-CB 3.87Å; V171-L205 HydrophobicContact CG1-CD1 4.05Å
172P96.2Very high95.7Very high33 Ų3338.4 Ų38.421%0.21420%0.198CC..  trans-72.816117835.2-39.3000111.6V166 E174 L175V166-P172 HydrophobicContact CG2-CB 3.91Å; P172-E174 WeakPolarHBondContact CB-OE1 3.48Å; P172-E174 WeakPolarHBondContact CB-OE2 3.31Å; P172-E174 HydrophobicContact CG-CG 4.21Å; P172-E174 VanDerWaalsContact CG-OE1 3.28Å; P172-E174 WeakPolarHBondContact CG-OE1 3.21Å; P172-E174 PolarHBondContact O-N 3.35Å; P172-E174 VanDerWaalsContact O-N 3.13Å; P172-L175 HydrophobicContact CG-CB 4.41Å; P172-L175 HydrophobicContact CG-CD1 4.1Å; P172-L175 HydrophobicContact CG-CG 4.14Å; P172-L175 PolarHBondContact O-N 3.02Å
173P96.8Very high95.7Very high8 Ų839 Ų395%0.05220%0.198CC..G310 helixtrans-48.5-40.3-176.9-29.235000114.8V145 P162 V165 L175 I176V145-P173 HydrophobicContact CB-CB 4.13Å; V145-P173 HydrophobicContact CB-CG 3.93Å; V145-P173 HydrophobicContact CG1-CG 3.95Å; V145-P173 VanDerWaalsContact O-CB 3.22Å; V145-P173 WeakPolarHBondContact O-CB 3.42Å; P162-P173 HydrophobicContact CB-CG 4.4Å; V165-P173 HydrophobicContact CB-CG 4.13Å; V165-P173 HydrophobicContact CG1-CG 3.94Å; V165-P173 HydrophobicContact CG2-CG 4.41Å; P173-L175 PolarHBondContact O-N 3.05Å; P173-I176 WeakPolarHBondContact O-CB 3.33Å; P173-I176 WeakPolarHBondContact O-CG1 3.31Å; P173-I176 PolarHBondContact O-N 3.24Å; P173-I176 VanDerWaalsContact O-N 3.14Å
174E95.6Very high95.7Very high134 Ų13432.8 Ų32.863%0.62617%0.171SC*.G310 helixtrans-66.1-14.7-179.764.4-86.4-162.700114.6P172P172-E174 WeakPolarHBondContact CB-OE1 3.48Å; P172-E174 WeakPolarHBondContact CB-OE2 3.31Å; P172-E174 HydrophobicContact CG-CG 4.21Å; P172-E174 VanDerWaalsContact CG-OE1 3.28Å; P172-E174 WeakPolarHBondContact CG-OE1 3.21Å; P172-E174 PolarHBondContact O-N 3.35Å; P172-E174 VanDerWaalsContact O-N 3.13Å
175L97.3Very high95.5Very high27 Ų2731.5 Ų31.514%0.14117%0.165CC..G310 helixtrans-109.67.8176.6-62.6-176.8000112.9V171 P172 P173 D178 F179 L205V171-L175 HydrophobicContact CB-CB 4.2Å; P172-L175 HydrophobicContact CG-CB 4.41Å; P172-L175 HydrophobicContact CG-CD1 4.1Å; P172-L175 HydrophobicContact CG-CG 4.14Å; P172-L175 PolarHBondContact O-N 3.02Å; P173-L175 PolarHBondContact O-N 3.05Å; L175-D178 PolarHBondContact O-N 3.23Å; L175-F179 VanDerWaalsContact O-CB 3.28Å; L175-F179 WeakPolarHBondContact O-CB 3.26Å; L175-F179 PolarHBondContact O-N 3.38Å; L175-L205 HydrophobicContact CB-CD1 4.48Å; L175-L205 HydrophobicContact CD1-CB 4.1Å
176I97.6Very high95.1Very high3 Ų336.5 Ų36.52%0.01520%0.2CC..Hα-helixtrans-65.8-40.1179.4-69.7-70.9000111.4A142 Q143 V165 Y169 V171 P173 D178 F179 L180A142-I176 HydrophobicContact CB-CD1 4.05Å; A142-I176 HydrophobicContact CB-CG1 4.05Å; A142-I176 HydrophobicContact CB-CG2 4.19Å; Q143-I176 HydrophobicContact CB-CB 4Å; Q143-I176 HydrophobicContact CB-CG2 3.92Å; V165-I176 HydrophobicContact CG1-CD1 3.89Å; V165-I176 HydrophobicContact CG1-CG1 4.12Å; Y169-I176 HydrophobicContact CD2-CD1 3.83Å; Y169-I176 HydrophobicContact CG-CD1 4.02Å; V171-I176 HydrophobicContact CG2-CD1 3.87Å; P173-I176 WeakPolarHBondContact O-CB 3.33Å; P173-I176 WeakPolarHBondContact O-CG1 3.31Å; P173-I176 PolarHBondContact O-N 3.24Å; P173-I176 VanDerWaalsContact O-N 3.14Å; I176-D178 VanDerWaalsContact C-N 3.33Å; I176-D178 PolarHBondContact O-N 2.93Å; I176-F179 WeakPolarHBondContact O-CB 3.28Å; I176-F179 PolarHBondContact O-N 3.29Å; I176-L180 HydrophobicContact CG2-CD1 4Å; I176-L180 HydrophobicContact CG2-CG 4.47Å; I176-L180 WeakPolarHBondContact O-CG 3.49Å; I176-L180 PolarHBondContact O-N 3.02Å
177I97.3Very high94.6Very high24 Ų2436.6 Ų36.612%0.12320%0.204CC..Hα-helixtrans-62.3-46.1177.4-52.1176.3000109.3Q143 F179 L180 A181 Y247 A250 T251Q143-I177 HydrophobicContact CB-CD1 4.49Å; Q143-I177 HydrophobicContact CB-CG1 3.88Å; Q143-I177 HydrophobicContact CG-CG1 4.39Å; Q143-I177 VanDerWaalsContact OE1-CD1 3.31Å; I177-F179 VanDerWaalsContact C-N 3.3Å; I177-F179 PolarHBondContact O-N 2.93Å; I177-L180 PolarHBondContact O-N 2.96Å; I177-A181 VanDerWaalsContact O-CB 3.24Å; I177-A181 WeakPolarHBondContact O-CB 3.43Å; I177-A181 PolarHBondContact O-N 3.5Å; I177-Y247 HydrophobicContact CB-CD2 4.31Å; I177-Y247 HydrophobicContact CB-CE2 3.87Å; I177-Y247 HydrophobicContact CG2-CD1 3.97Å; I177-Y247 HydrophobicContact CG2-CD2 3.56Å; I177-Y247 HydrophobicContact CG2-CE1 3.9Å; I177-Y247 HydrophobicContact CG2-CE2 3.49Å; I177-Y247 VanDerWaalsContact CG2-CE2 3.49Å; I177-Y247 HydrophobicContact CG2-CG 3.79Å; I177-A250 HydrophobicContact CG2-CB 4.37Å; I177-T251 HydrophobicContact CD1-CG2 4.25Å; I177-T251 WeakPolarHBondContact CG2-OG1 3.44Å
178D98Very high94.4Very high11 Ų1130.5 Ų30.56%0.05917%0.171CC..Hα-helixtrans-60.8-40.2176.8-56.3-97.1000112.4L175 I176 A181 L182 L205 G210 L211L175-D178 PolarHBondContact O-N 3.23Å; I176-D178 VanDerWaalsContact C-N 3.33Å; I176-D178 PolarHBondContact O-N 2.93Å; D178-A181 PolarHBondContact O-N 2.92Å; D178-L182 WeakPolarHBondContact O-CB 3.47Å; D178-L182 VanDerWaalsContact O-CG 3.3Å; D178-L182 WeakPolarHBondContact O-CG 3.33Å; D178-L182 PolarHBondContact O-N 2.94Å; D178-L205 HydrophobicContact CB-CD1 4.04Å; D178-L205 HydrophobicContact CB-CD2 3.63Å; D178-G210 WeakPolarHBondContact OD1-CA 3.43Å; D178-L211 HydrophobicContact CB-CD1 3.53Å; D178-L211 WeakPolarHBondContact OD1-CD1 3.35Å; D178-L211 PolarHBondContact OD1-N 2.78Å
179F97.6Very high94.4Very high8 Ų827.9 Ų27.94%0.03516%0.162CC..Hα-helixtrans-63.6-45.4178.7174.4-113.4000112.1Y169 V171 L175 I176 I177 M183 E198 A201 Q202 L205Y169-F179 HydrophobicContact CD1-CE1 4.25Å; V171-F179 HydrophobicContact CG2-CB 3.94Å; V171-F179 HydrophobicContact CG2-CD1 4.4Å; V171-F179 HydrophobicContact CG2-CD2 4.41Å; V171-F179 HydrophobicContact CG2-CG 4.03Å; L175-F179 VanDerWaalsContact O-CB 3.28Å; L175-F179 WeakPolarHBondContact O-CB 3.26Å; L175-F179 PolarHBondContact O-N 3.38Å; I176-F179 WeakPolarHBondContact O-CB 3.28Å; I176-F179 PolarHBondContact O-N 3.29Å; I177-F179 VanDerWaalsContact C-N 3.3Å; I177-F179 PolarHBondContact O-N 2.93Å; F179-M183 HydrophobicContact CD1-CE 3.96Å; F179-M183 HydrophobicContact CD2-CE 4.14Å; F179-M183 HydrophobicContact CE1-CE 3.38Å; F179-M183 HydrophobicContact CE2-CE 3.54Å; F179-M183 HydrophobicContact CG-CE 4.33Å; F179-M183 HydrophobicContact CZ-CE 3.18Å; F179-M183 WeakPolarHBondContact O-CB 3.47Å; F179-M183 PolarHBondContact O-N 3.15Å; F179-M183 VanDerWaalsContact O-N 3.07Å; F179-E198 HydrophobicContact CE2-CG 4.06Å; F179-E198 HydrophobicContact CZ-CG 3.82Å; F179-A201 HydrophobicContact CD2-CB 3.68Å; F179-A201 HydrophobicContact CE2-CB 4.05Å; F179-Q202 HydrophobicContact CD2-CG 4.45Å; F179-Q202 HydrophobicContact CE2-CG 3.83Å; F179-L205 VanDerWaalsContact CA-CD1 3.46Å; F179-L205 HydrophobicContact CB-CD1 3.59Å; F179-L205 HydrophobicContact CD2-CD1 4.34Å; F179-L205 HydrophobicContact CG-CD1 4.47Å
180L96.7Very high94.3Very high3 Ų327.1 Ų27.12%0.01616%0.16CC..Hα-helixtrans-67.9-38.7174.6-66.1170.7000111.7K139 D140 I176 I177 L182 G184 A250K139-L180 HydrophobicContact CD-CD2 4.23Å; D140-L180 HydrophobicContact CB-CD1 4.32Å; D140-L180 WeakPolarHBondContact OD1-CD1 3.41Å; I176-L180 HydrophobicContact CG2-CD1 4Å; I176-L180 HydrophobicContact CG2-CG 4.47Å; I176-L180 WeakPolarHBondContact O-CG 3.49Å; I176-L180 PolarHBondContact O-N 3.02Å; I177-L180 PolarHBondContact O-N 2.96Å; L180-L182 VanDerWaalsContact C-N 3.33Å; L180-L182 PolarHBondContact O-N 2.87Å; L180-G184 VanDerWaalsContact O-CA 3.25Å; L180-G184 WeakPolarHBondContact O-CA 3.33Å; L180-G184 PolarHBondContact O-N 3.47Å; L180-A250 HydrophobicContact CB-CB 3.89Å; L180-A250 HydrophobicContact CD1-CB 4.33Å
181A96.8Very high94.3Very high0 Ų029.3 Ų29.30%017%0.171CC..Hα-helixtrans-64.2-36.4177.500000113I177 D178 G192 L211 S246 Y247I177-A181 VanDerWaalsContact O-CB 3.24Å; I177-A181 WeakPolarHBondContact O-CB 3.43Å; I177-A181 PolarHBondContact O-N 3.5Å; D178-A181 PolarHBondContact O-N 2.92Å; A181-G192 WeakPolarHBondContact O-CA 3.45Å; A181-L211 HydrophobicContact CB-CD1 4.22Å; A181-L211 HydrophobicContact CB-CD2 4.14Å; A181-S246 WeakPolarHBondContact O-CB 3.48Å; A181-Y247 HydrophobicContact CB-CD2 4.16Å; A181-Y247 HydrophobicContact CB-CG 4.43Å
182L96.9Very high94.2Very high0 Ų029.3 Ų29.30%017%0.171CC..Hα-helixtrans-76.9-46.4178.3-76.5174.4000112.3D178 L180 V193 V196 A201 L204 L205 L211 L214 L236D178-L182 WeakPolarHBondContact O-CB 3.47Å; D178-L182 VanDerWaalsContact O-CG 3.3Å; D178-L182 WeakPolarHBondContact O-CG 3.33Å; D178-L182 PolarHBondContact O-N 2.94Å; L180-L182 VanDerWaalsContact C-N 3.33Å; L180-L182 PolarHBondContact O-N 2.87Å; L182-V193 HydrophobicContact CD2-CG2 4.07Å; L182-V193 PolarHBondContact O-N 3.22Å; L182-V196 HydrophobicContact CB-CG1 3.95Å; L182-A201 HydrophobicContact CB-CB 3.92Å; L182-A201 HydrophobicContact CD1-CB 4.27Å; L182-L204 HydrophobicContact CD1-CB 4.44Å; L182-L204 HydrophobicContact CD1-CD1 4.27Å; L182-L205 HydrophobicContact CD1-CD1 4.2Å; L182-L205 HydrophobicContact CD1-CD2 3.84Å; L182-L205 HydrophobicContact CD1-CG 3.93Å; L182-L211 HydrophobicContact CD1-CD1 4.4Å; L182-L211 HydrophobicContact CD2-CD1 4.35Å; L182-L211 HydrophobicContact CG-CD1 3.96Å; L182-L214 HydrophobicContact CD1-CD1 3.98Å; L182-L214 HydrophobicContact CD2-CD1 4.5Å; L182-L236 HydrophobicContact CD2-CD2 3.8Å
183M94.9Very high94.1Very high54 Ų5427.9 Ų27.927%0.26616%0.161SC..Hα-helixtrans-81.8-26.3-175.5173.8171.529.600113.4F179 V196 E198 A201F179-M183 HydrophobicContact CD1-CE 3.96Å; F179-M183 HydrophobicContact CD2-CE 4.14Å; F179-M183 HydrophobicContact CE1-CE 3.38Å; F179-M183 HydrophobicContact CE2-CE 3.54Å; F179-M183 HydrophobicContact CG-CE 4.33Å; F179-M183 HydrophobicContact CZ-CE 3.18Å; F179-M183 WeakPolarHBondContact O-CB 3.47Å; F179-M183 PolarHBondContact O-N 3.15Å; F179-M183 VanDerWaalsContact O-N 3.07Å; M183-V196 WeakPolarHBondContact CA-O 3.39Å; M183-E198 HydrophobicContact CE-CB 4.19Å; M183-E198 HydrophobicContact CE-CG 4.35Å; M183-E198 WeakPolarHBondContact SD-CA 3.37Å; M183-E198 HydrophobicContact SD-CB 3.53Å; M183-E198 VanDerWaalsContact SD-CB 3.53Å; M183-E198 HydrophobicContact SD-CG 4.27Å; M183-E198 PolarHBondContact SD-N 3.45Å; M183-E198 VanDerWaalsContact SD-N 3.42Å; M183-A201 HydrophobicContact CB-CB 4.48Å
184G93.6Very high93.7Very high7 Ų731.1 Ų31.17%0.07218%0.183CC..  trans76175-166.500000112.3L180 I190 G192L180-G184 VanDerWaalsContact O-CA 3.25Å; L180-G184 WeakPolarHBondContact O-CA 3.33Å; L180-G184 PolarHBondContact O-N 3.47Å; G184-I190 CarbonylContact C-O 3.55Å; G184-I190 VanDerWaalsContact CA-O 3.29Å; G184-I190 WeakPolarHBondContact CA-O 3.5Å; G184-G192 VanDerWaalsContact CA-CA 3.45Å
185D92.5Very high93.2Very high11 Ų1127.8 Ų27.86%0.05918%0.184CC..BIsolated β-bridgetrans-140.1115.8174.1-179.744000110.6K139 S187 D188 N189 I190K139-D185 WeakPolarHBondContact CE-OD1 3.29Å; K139-D185 VanDerWaalsContact NZ-CG 3.33Å; K139-D185 IonicContact NZ-OD1 2.82Å; K139-D185 PolarHBondContact NZ-OD1 3.11Å; D185-S187 VanDerWaalsContact C-N 3.3Å; D185-S187 PolarHBondContact O-N 3.4Å; D185-S187 PolarHBondContact OD1-N 3.14Å; D185-S187 WeakPolarHBondContact OD2-CB 3.48Å; D185-S187 PolarHBondContact OD2-N 2.8Å; D185-D188 VanDerWaalsContact OD2-CB 3.3Å; D185-D188 WeakPolarHBondContact OD2-CB 3.38Å; D185-D188 PolarHBondContact OD2-N 3.24Å; D185-N189 CarbonylContact O-C 3.49Å; D185-N189 WeakPolarHBondContact O-CA 3.5Å; D185-N189 PolarHBondContact O-N 3.31Å; D185-I190 HydrophobicContact CB-CB 4.02Å; D185-I190 HydrophobicContact CB-CD1 4.15Å; D185-I190 HydrophobicContact CB-CG1 4.29Å; D185-I190 PolarHBondContact N-O 3.3Å; D185-I190 PolarHBondContact O-N 3.46Å
186S86.2Confident92.9Very high104 Ų10426.8 Ų26.873%0.72718%0.179SC*.THydrogen-bonded Turntrans-72.6-23.3-179.355.70000113.2H80H80-S186 PolarHBondContact CE1-O 2.83Å; H80-S186 PolarHBondContact NE2-O 3.45Å
187S85.7Confident92.6Very high62 Ų6228.3 Ų28.343%0.43420%0.195SC..THydrogen-bonded Turntrans-69.4-38.2178.1-1750000111.7H80 R81 D185H80-S187 PolarHBondContact CE1-O 3.25Å; R81-S187 PolarHBondContact NE-O 3.44Å; R81-S187 PolarHBondContact NH2-OG 3.33Å; D185-S187 VanDerWaalsContact C-N 3.3Å; D185-S187 PolarHBondContact O-N 3.4Å; D185-S187 PolarHBondContact OD1-N 3.14Å; D185-S187 WeakPolarHBondContact OD2-CB 3.48Å; D185-S187 PolarHBondContact OD2-N 2.8Å
188D88.6Confident92.4Very high4 Ų431.9 Ų31.92%0.02121%0.212CC..THydrogen-bonded Turntrans-98.5-3.7179.4-77.213.1000113.9Y77 K78 R81 D185 I190Y77-D188 WeakPolarHBondContact CD2-O 3.14Å; Y77-D188 HydrophobicContact CE2-CB 3.77Å; Y77-D188 PolarHBondContact OH-OD2 2.99Å; K78-D188 WeakPolarHBondContact CE-OD1 3.44Å; K78-D188 WeakPolarHBondContact CE-OD2 3.29Å; K78-D188 HydrophobicContact CG-CB 4.31Å; K78-D188 PolarHBondContact N-O 2.63Å; K78-D188 IonicContact NZ-OD2 3.77Å; K78-D188 PolarHBondContact NZ-OD2 2.9Å; R81-D188 IonicContact CZ-OD1 3.44Å; R81-D188 IonicContact NE-OD1 3.59Å; R81-D188 IonicContact NH2-OD1 3.62Å; R81-D188 PolarHBondContact NH2-OD1 3.45Å; D185-D188 VanDerWaalsContact OD2-CB 3.3Å; D185-D188 WeakPolarHBondContact OD2-CB 3.38Å; D185-D188 PolarHBondContact OD2-N 3.24Å; D188-I190 HydrophobicContact CB-CD1 4.08Å; D188-I190 HydrophobicContact CB-CG1 3.84Å; D188-I190 PolarHBondContact O-N 3.36Å
189N91Very high92.1Very high56 Ų5639.2 Ų39.230%0.29924%0.243SC..THydrogen-bonded Turntrans6129.8-171.9-152.629.4000113F74 H76 D185F74-N189 VanDerWaalsContact CE1-O 3.31Å; F74-N189 WeakPolarHBondContact CE1-O 3.49Å; H76-N189 WeakPolarHBondContact CB-ND2 3.5Å; H76-N189 WeakPolarHBondContact O-CB 3.39Å; H76-N189 PolarHBondContact O-ND2 3.36Å; D185-N189 CarbonylContact O-C 3.49Å; D185-N189 WeakPolarHBondContact O-CA 3.5Å; D185-N189 PolarHBondContact O-N 3.31Å
190I92.9Very high91.8Very high5 Ų540.3 Ų40.33%0.02625%0.25CS..BIsolated β-bridgetrans-70.5121.2170.7-59.7177.1000107.3Y77 G184 D185 D188 G192 L249 A250Y77-I190 HydrophobicContact CE2-CG1 4.18Å; G184-I190 CarbonylContact C-O 3.55Å; G184-I190 VanDerWaalsContact CA-O 3.29Å; G184-I190 WeakPolarHBondContact CA-O 3.5Å; D185-I190 HydrophobicContact CB-CB 4.02Å; D185-I190 HydrophobicContact CB-CD1 4.15Å; D185-I190 HydrophobicContact CB-CG1 4.29Å; D185-I190 PolarHBondContact N-O 3.3Å; D185-I190 PolarHBondContact O-N 3.46Å; D188-I190 HydrophobicContact CB-CD1 4.08Å; D188-I190 HydrophobicContact CB-CG1 3.84Å; D188-I190 PolarHBondContact O-N 3.36Å; I190-G192 PolarHBondContact O-N 2.88Å; I190-L249 HydrophobicContact CD1-CB 4.31Å; I190-L249 HydrophobicContact CG1-CB 4.18Å; I190-A250 HydrophobicContact CD1-CB 4.06Å
191P92.3Very high91.7Very high61 Ų6140.1 Ų40.140%0.39625%0.249SC..  trans-70.4-35.1-166.223.5-31.5000113.8V242 S246P191-V242 HydrophobicContact CB-CG1 3.97Å; P191-V242 HydrophobicContact CG-CG1 3.74Å; P191-S246 WeakPolarHBondContact CG-OG 3.44Å
192G93.7Very high91.7Very high0 Ų041.9 Ų41.90%026%0.258CS..  trans66.9-175.7-174.700000113.5A181 G184 I190 P194 V242 S246A181-G192 WeakPolarHBondContact O-CA 3.45Å; G184-G192 VanDerWaalsContact CA-CA 3.45Å; I190-G192 PolarHBondContact O-N 2.88Å; G192-P194 WeakPolarHBondContact O-CD 3.21Å; G192-V242 VanDerWaalsContact O-CG1 3.26Å; G192-V242 WeakPolarHBondContact O-CG1 3.32Å; G192-S246 PolarHBondContact N-OG 3.3Å; G192-S246 VanDerWaalsContact N-OG 3.15Å
193V93.5Very high91.5Very high3 Ų343.2 Ų43.22%0.01827%0.268CS..  trans-89.4120.9172.9178.60000109.7L182 G195 V196 L236 N239 A243L182-V193 HydrophobicContact CD2-CG2 4.07Å; L182-V193 PolarHBondContact O-N 3.22Å; V193-G195 PolarHBondContact O-N 3.08Å; V193-G195 VanDerWaalsContact O-N 3.16Å; V193-V196 HydrophobicContact CB-CB 4.12Å; V193-V196 HydrophobicContact CB-CG2 3.84Å; V193-V196 HydrophobicContact CG1-CB 4.47Å; V193-V196 HydrophobicContact CG1-CG2 3.69Å; V193-V196 WeakPolarHBondContact O-CB 3.45Å; V193-V196 PolarHBondContact O-N 2.88Å; V193-L236 HydrophobicContact CG1-CD2 4.18Å; V193-L236 HydrophobicContact CG2-CD2 4.22Å; V193-N239 HydrophobicContact CG1-CB 4.02Å; V193-A243 HydrophobicContact CG2-CB 3.71Å
194P88.5Confident91.5Very high77 Ų7740.6 Ų40.650%0.526%0.255SS..THydrogen-bonded Turntrans-53.1121.4179.6-2936000114G192 N239G192-P194 WeakPolarHBondContact O-CD 3.21Å; P194-N239 WeakPolarHBondContact CD-OD1 3.26Å
195G86.3Confident91.6Very high63 Ų6340.4 Ų40.465%0.64925%0.253SS*.THydrogen-bonded Turntrans83.96.1179.700000114.9V193V193-G195 PolarHBondContact O-N 3.08Å; V193-G195 VanDerWaalsContact O-N 3.16Å
196V91.5Very high91.6Very high7 Ų746.1 Ų46.14%0.04228%0.279CS..  trans-98.3105.4166.9-179.20000107.8L182 M183 V193 T200 A201 L204 M232L182-V196 HydrophobicContact CB-CG1 3.95Å; M183-V196 WeakPolarHBondContact CA-O 3.39Å; V193-V196 HydrophobicContact CB-CB 4.12Å; V193-V196 HydrophobicContact CB-CG2 3.84Å; V193-V196 HydrophobicContact CG1-CB 4.47Å; V193-V196 HydrophobicContact CG1-CG2 3.69Å; V193-V196 WeakPolarHBondContact O-CB 3.45Å; V193-V196 PolarHBondContact O-N 2.88Å; V196-T200 HydrophobicContact CG1-CG2 4.01Å; V196-T200 HydrophobicContact CG2-CG2 4.4Å; V196-A201 HydrophobicContact CG1-CB 4.05Å; V196-L204 HydrophobicContact CG1-CD1 4.39Å; V196-M232 HydrophobicContact CG2-CE 4.23Å; V196-M232 HydrophobicContact CG2-SD 3.8Å
197G91Very high91.9Very high35 Ų3543.1 Ų43.136%0.36126%0.264SS..  trans-95.6179.3170.700000111.6K199 T200 A201G197-K199 PolarHBondContact O-N 3.46Å; G197-T200 WeakPolarHBondContact O-CA 3.39Å; G197-T200 WeakPolarHBondContact O-CB 3.47Å; G197-T200 PolarHBondContact O-N 3.41Å; G197-A201 PolarHBondContact O-N 3.02Å
198E92.4Very high92.1Very high99 Ų9941.8 Ų41.846%0.46325%0.253SS..Hα-helixtrans-41.4-57.1179.5-176.1169.9-174.700114.3F179 M183 T200 A201 Q202F179-E198 HydrophobicContact CE2-CG 4.06Å; F179-E198 HydrophobicContact CZ-CG 3.82Å; M183-E198 HydrophobicContact CE-CB 4.19Å; M183-E198 HydrophobicContact CE-CG 4.35Å; M183-E198 WeakPolarHBondContact SD-CA 3.37Å; M183-E198 HydrophobicContact SD-CB 3.53Å; M183-E198 VanDerWaalsContact SD-CB 3.53Å; M183-E198 HydrophobicContact SD-CG 4.27Å; M183-E198 PolarHBondContact SD-N 3.45Å; M183-E198 VanDerWaalsContact SD-N 3.42Å; E198-T200 VanDerWaalsContact C-N 3.28Å; E198-T200 PolarHBondContact O-N 3.25Å; E198-A201 PolarHBondContact O-N 2.98Å; E198-Q202 WeakPolarHBondContact O-CG 3.35Å; E198-Q202 PolarHBondContact O-N 2.84Å
199K91.4Very high92.3Very high165 Ų16542.4 Ų42.472%0.71726%0.26SS*.Hα-helixtrans-63-34.9-178-66.3-174.4177.8-178.40112.9G197 A203G197-K199 PolarHBondContact O-N 3.46Å; K199-A203 WeakPolarHBondContact O-CB 3.28Å; K199-A203 PolarHBondContact O-N 3.18Å; K199-A203 VanDerWaalsContact O-N 3.08Å
200T92.5Very high92.5Very high30 Ų3040.3 Ų40.318%0.18425%0.251CS..Hα-helixtrans-73.6-41.8179.1-56.90000110.4V196 G197 E198 A203 L204 F226 M232V196-T200 HydrophobicContact CG1-CG2 4.01Å; V196-T200 HydrophobicContact CG2-CG2 4.4Å; G197-T200 WeakPolarHBondContact O-CA 3.39Å; G197-T200 WeakPolarHBondContact O-CB 3.47Å; G197-T200 PolarHBondContact O-N 3.41Å; E198-T200 VanDerWaalsContact C-N 3.28Å; E198-T200 PolarHBondContact O-N 3.25Å; T200-A203 PolarHBondContact O-N 3.43Å; T200-L204 HydrophobicContact CG2-CD1 4.2Å; T200-L204 VanDerWaalsContact O-CG 3.3Å; T200-L204 WeakPolarHBondContact O-CG 3.35Å; T200-L204 PolarHBondContact O-N 2.79Å; T200-F226 HydrophobicContact CG2-CD2 4.15Å; T200-F226 HydrophobicContact CG2-CE2 3.76Å; T200-F226 HydrophobicContact CG2-CZ 4.29Å; T200-M232 HydrophobicContact CG2-CE 3.62Å
201A94.7Very high92.5Very high0 Ų040.1 Ų40.10%025%0.25CS..Hα-helixtrans-60.7-47.9173.900000111F179 L182 M183 V196 G197 E198 A203 L204 L205F179-A201 HydrophobicContact CD2-CB 3.68Å; F179-A201 HydrophobicContact CE2-CB 4.05Å; L182-A201 HydrophobicContact CB-CB 3.92Å; L182-A201 HydrophobicContact CD1-CB 4.27Å; M183-A201 HydrophobicContact CB-CB 4.48Å; V196-A201 HydrophobicContact CG1-CB 4.05Å; G197-A201 PolarHBondContact O-N 3.02Å; E198-A201 PolarHBondContact O-N 2.98Å; A201-A203 PolarHBondContact O-N 2.87Å; A201-L204 PolarHBondContact O-N 2.74Å; A201-L205 WeakPolarHBondContact O-CB 3.5Å; A201-L205 VanDerWaalsContact O-CG 3.23Å; A201-L205 WeakPolarHBondContact O-CG 3.3Å; A201-L205 PolarHBondContact O-N 3.39Å
202Q95.1Very high92.6Very high37 Ų3742.6 Ų42.617%0.17326%0.26CS..Hα-helixtrans-54.3-50174-77.8166-6.400112.2Y169 V171 F179 E198 L204 L205 Q206Y169-Q202 WeakPolarHBondContact O-CG 3.32Å; Y169-Q202 PolarHBondContact O-NE2 3.17Å; V171-Q202 HydrophobicContact CG1-CG 4.44Å; F179-Q202 HydrophobicContact CD2-CG 4.45Å; F179-Q202 HydrophobicContact CE2-CG 3.83Å; E198-Q202 WeakPolarHBondContact O-CG 3.35Å; E198-Q202 PolarHBondContact O-N 2.84Å; Q202-L204 VanDerWaalsContact C-N 3.33Å; Q202-L204 PolarHBondContact O-N 2.91Å; Q202-L205 PolarHBondContact O-N 3.44Å; Q202-Q206 VanDerWaalsContact O-CB 3.28Å; Q202-Q206 WeakPolarHBondContact O-CB 3.45Å; Q202-Q206 VanDerWaalsContact O-CG 3.25Å; Q202-Q206 WeakPolarHBondContact O-CG 3.28Å; Q202-Q206 PolarHBondContact O-N 3.06Å
203A93.2Very high92.6Very high27 Ų2745.2 Ų45.222%0.22328%0.276CS..Hα-helixtrans-64-36.8-177.900000113K199 T200 A201 G207 F226K199-A203 WeakPolarHBondContact O-CB 3.28Å; K199-A203 PolarHBondContact O-N 3.18Å; K199-A203 VanDerWaalsContact O-N 3.08Å; T200-A203 PolarHBondContact O-N 3.43Å; A201-A203 PolarHBondContact O-N 2.87Å; A203-G207 PolarHBondContact O-N 3.27Å; A203-F226 HydrophobicContact CB-CB 4.05Å; A203-F226 HydrophobicContact CB-CD1 3.67Å; A203-F226 HydrophobicContact CB-CE1 4.4Å; A203-F226 HydrophobicContact CB-CG 4.03Å
204L94.4Very high92.6Very high0 Ų045.1 Ų45.10%028%0.276CS..Hα-helixtrans-65.1-50.7174.8-73.4167.5000111L182 V196 T200 A201 Q202 G207 L208 L214 I221 L224 F226 M232L182-L204 HydrophobicContact CD1-CB 4.44Å; L182-L204 HydrophobicContact CD1-CD1 4.27Å; V196-L204 HydrophobicContact CG1-CD1 4.39Å; T200-L204 HydrophobicContact CG2-CD1 4.2Å; T200-L204 VanDerWaalsContact O-CG 3.3Å; T200-L204 WeakPolarHBondContact O-CG 3.35Å; T200-L204 PolarHBondContact O-N 2.79Å; A201-L204 PolarHBondContact O-N 2.74Å; Q202-L204 VanDerWaalsContact C-N 3.33Å; Q202-L204 PolarHBondContact O-N 2.91Å; L204-G207 PolarHBondContact O-N 3.22Å; L204-L208 PolarHBondContact O-N 3.01Å; L204-L214 HydrophobicContact CB-CD1 4.17Å; L204-L214 HydrophobicContact CB-CD2 4.21Å; L204-L214 HydrophobicContact CD2-CD2 4.11Å; L204-I221 HydrophobicContact CD2-CG1 4.46Å; L204-I221 HydrophobicContact CD2-CG2 3.68Å; L204-L224 HydrophobicContact CD2-CD1 4.01Å; L204-F226 HydrophobicContact CD2-CE1 3.86Å; L204-F226 HydrophobicContact CD2-CZ 3.78Å; L204-F226 HydrophobicContact CG-CE1 4.16Å; L204-F226 HydrophobicContact CG-CZ 4.1Å; L204-M232 HydrophobicContact CD1-CG 4.34Å; L204-M232 HydrophobicContact CD2-CG 4.24Å
205L95.8Very high92.8Very high3 Ų342.5 Ų42.52%0.01626%0.256CS..Hα-helixtrans-72.2-40.1-173.3-64.5177.1000112.9V171 L175 D178 F179 L182 A201 Q202 G207 G209 L214V171-L205 HydrophobicContact CG1-CB 3.87Å; V171-L205 HydrophobicContact CG1-CD1 4.05Å; L175-L205 HydrophobicContact CB-CD1 4.48Å; L175-L205 HydrophobicContact CD1-CB 4.1Å; D178-L205 HydrophobicContact CB-CD1 4.04Å; D178-L205 HydrophobicContact CB-CD2 3.63Å; F179-L205 VanDerWaalsContact CA-CD1 3.46Å; F179-L205 HydrophobicContact CB-CD1 3.59Å; F179-L205 HydrophobicContact CD2-CD1 4.34Å; F179-L205 HydrophobicContact CG-CD1 4.47Å; L182-L205 HydrophobicContact CD1-CD1 4.2Å; L182-L205 HydrophobicContact CD1-CD2 3.84Å; L182-L205 HydrophobicContact CD1-CG 3.93Å; A201-L205 WeakPolarHBondContact O-CB 3.5Å; A201-L205 VanDerWaalsContact O-CG 3.23Å; A201-L205 WeakPolarHBondContact O-CG 3.3Å; A201-L205 PolarHBondContact O-N 3.39Å; Q202-L205 PolarHBondContact O-N 3.44Å; L205-G207 VanDerWaalsContact C-N 3.27Å; L205-G207 PolarHBondContact O-N 3.3Å; L205-G209 WeakPolarHBondContact CD2-O 3.5Å; L205-G209 VanDerWaalsContact O-CA 3.28Å; L205-G209 WeakPolarHBondContact O-CA 3.14Å; L205-G209 PolarHBondContact O-N 2.88Å; L205-L214 HydrophobicContact CD2-CD1 4.31Å
206Q93.6Very high93.1Very high130 Ų13043.1 Ų43.161%0.60726%0.255SS*.Hα-helixtrans-65.3-32.7173.1-71.2176.1-7.400112.2G170 Q202G170-Q206 WeakPolarHBondContact O-CG 3.4Å; G170-Q206 PolarHBondContact O-NE2 3.18Å; Q202-Q206 VanDerWaalsContact O-CB 3.28Å; Q202-Q206 WeakPolarHBondContact O-CB 3.45Å; Q202-Q206 VanDerWaalsContact O-CG 3.25Å; Q202-Q206 WeakPolarHBondContact O-CG 3.28Å; Q202-Q206 PolarHBondContact O-N 3.06Å
207G91.1Very high93.1Very high41 Ų4145.8 Ų45.842%0.42327%0.267SS..Hα-helixtrans-84-38.8-173.800000114.5A203 L204 L205A203-G207 PolarHBondContact O-N 3.27Å; L204-G207 PolarHBondContact O-N 3.22Å; L205-G207 VanDerWaalsContact C-N 3.27Å; L205-G207 PolarHBondContact O-N 3.3Å
208L91.1Very high93Very high35 Ų3546.1 Ų46.118%0.18326%0.262CS..Hα-helixtrans-128.8-18.3-172.7-65.1173.3000114.1L204 T213 L214 K220 I221 L224L204-L208 PolarHBondContact O-N 3.01Å; L208-T213 WeakPolarHBondContact O-CG2 3.16Å; L208-L214 HydrophobicContact CB-CD2 3.79Å; L208-L214 HydrophobicContact CD1-CD2 3.79Å; L208-L214 HydrophobicContact CG-CD2 4.4Å; L208-K220 HydrophobicContact CD1-CB 4.16Å; L208-K220 HydrophobicContact CD2-CB 3.62Å; L208-K220 HydrophobicContact CD2-CD 4.26Å; L208-I221 HydrophobicContact CD1-CB 4.23Å; L208-I221 HydrophobicContact CD1-CG1 3.5Å; L208-L224 HydrophobicContact CD1-CD1 3.81Å; L208-L224 HydrophobicContact CD1-CG 4.33Å; L208-L224 HydrophobicContact CG-CD1 3.99Å; L208-L224 HydrophobicContact CG-CD2 4.26Å; L208-L224 HydrophobicContact CG-CG 4.38Å
209G92.6Very high92.8Very high17 Ų1747.3 Ų47.318%0.17527%0.268CS..  trans96.4-162.5-17400000113.2L205L205-G209 WeakPolarHBondContact CD2-O 3.5Å; L205-G209 VanDerWaalsContact O-CA 3.28Å; L205-G209 WeakPolarHBondContact O-CA 3.14Å; L205-G209 PolarHBondContact O-N 2.88Å
210G94.4Very high92.8Very high12 Ų1244 Ų4412%0.12425%0.254CS..SBendtrans-66.2177.7-170.800000115.9D178 D212 T213 L214D178-G210 WeakPolarHBondContact OD1-CA 3.43Å; G210-D212 VanDerWaalsContact C-N 3.28Å; G210-D212 PolarHBondContact O-N 3.45Å; G210-T213 PolarHBondContact O-N 2.89Å; G210-L214 WeakPolarHBondContact O-CG 3.27Å; G210-L214 PolarHBondContact O-N 2.92Å
211L93.9Very high92.7Very high1 Ų142.6 Ų42.61%0.00525%0.245CC..Hα-helixtrans-50.8-46.2-177.5-94.368.8000112D178 A181 L182 T213 L214 Y215 A243 Y247D178-L211 HydrophobicContact CB-CD1 3.53Å; D178-L211 WeakPolarHBondContact OD1-CD1 3.35Å; D178-L211 PolarHBondContact OD1-N 2.78Å; A181-L211 HydrophobicContact CB-CD1 4.22Å; A181-L211 HydrophobicContact CB-CD2 4.14Å; L182-L211 HydrophobicContact CD1-CD1 4.4Å; L182-L211 HydrophobicContact CD2-CD1 4.35Å; L182-L211 HydrophobicContact CG-CD1 3.96Å; L211-T213 VanDerWaalsContact C-N 3.3Å; L211-T213 PolarHBondContact O-N 2.85Å; L211-L214 WeakPolarHBondContact O-CB 3.21Å; L211-L214 PolarHBondContact O-N 2.99Å; L211-L214 VanDerWaalsContact O-N 3.1Å; L211-Y215 HydrophobicContact CB-CD2 4.33Å; L211-Y215 HydrophobicContact CB-CE2 4.35Å; L211-Y215 HydrophobicContact CD2-CE2 4.41Å; L211-Y215 HydrophobicContact CG-CE2 4.18Å; L211-Y215 WeakPolarHBondContact O-CD2 3.21Å; L211-Y215 PolarHBondContact O-N 3.26Å; L211-A243 HydrophobicContact CD2-CB 4Å; L211-Y247 HydrophobicContact CD1-CD2 4.47Å; L211-Y247 HydrophobicContact CD2-CD2 4.07Å; L211-Y247 HydrophobicContact CD2-CG 4.48Å
212D94.6Very high92.4Very high113 Ų11345 Ų4560%0.60427%0.265SS*.Hα-helixtrans-60.2-40.2-178.5-72.9-19000112.2G210 A216 Y244G210-D212 VanDerWaalsContact C-N 3.28Å; G210-D212 PolarHBondContact O-N 3.45Å; D212-A216 WeakPolarHBondContact O-CB 3.46Å; D212-A216 PolarHBondContact O-N 3.17Å; D212-Y244 WeakPolarHBondContact OD1-CE1 3.28Å; D212-Y244 PolarHBondContact OD1-OH 3.34Å
213T94.1Very high92.1Very high55 Ų5546.6 Ų46.634%0.33729%0.292SS..Hα-helixtrans-68.8-41.2174.8-490000111.4L208 G210 L211 Y215 A216 E217L208-T213 WeakPolarHBondContact O-CG2 3.16Å; G210-T213 PolarHBondContact O-N 2.89Å; L211-T213 VanDerWaalsContact C-N 3.3Å; L211-T213 PolarHBondContact O-N 2.85Å; T213-Y215 VanDerWaalsContact C-N 3.29Å; T213-Y215 PolarHBondContact O-N 3.2Å; T213-A216 PolarHBondContact O-N 3.19Å; T213-E217 PolarHBondContact O-N 3.42Å
214L92.9Very high91.9Very high1 Ų146.8 Ų46.81%0.00529%0.289CS..Hα-helixtrans-60.7-37.5177.8-66.5174.7000112.5L182 L204 L205 L208 G210 L211 P218 I221 L236L182-L214 HydrophobicContact CD1-CD1 3.98Å; L182-L214 HydrophobicContact CD2-CD1 4.5Å; L204-L214 HydrophobicContact CB-CD1 4.17Å; L204-L214 HydrophobicContact CB-CD2 4.21Å; L204-L214 HydrophobicContact CD2-CD2 4.11Å; L205-L214 HydrophobicContact CD2-CD1 4.31Å; L208-L214 HydrophobicContact CB-CD2 3.79Å; L208-L214 HydrophobicContact CD1-CD2 3.79Å; L208-L214 HydrophobicContact CG-CD2 4.4Å; G210-L214 WeakPolarHBondContact O-CG 3.27Å; G210-L214 PolarHBondContact O-N 2.92Å; L211-L214 WeakPolarHBondContact O-CB 3.21Å; L211-L214 PolarHBondContact O-N 2.99Å; L211-L214 VanDerWaalsContact O-N 3.1Å; L214-P218 WeakPolarHBondContact O-CA 3.47Å; L214-I221 HydrophobicContact CD2-CD1 4.37Å; L214-I221 HydrophobicContact CD2-CG1 4.25Å; L214-L236 HydrophobicContact CB-CD1 4.45Å
215Y93.2Very high91.3Very high22 Ų2253 Ų539%0.08633%0.332CS..Hα-helixtrans-86.6-21.5178-72.2-67.8000113.9L211 T213 L236 K240 A243 Y244L211-Y215 HydrophobicContact CB-CD2 4.33Å; L211-Y215 HydrophobicContact CB-CE2 4.35Å; L211-Y215 HydrophobicContact CD2-CE2 4.41Å; L211-Y215 HydrophobicContact CG-CE2 4.18Å; L211-Y215 WeakPolarHBondContact O-CD2 3.21Å; L211-Y215 PolarHBondContact O-N 3.26Å; T213-Y215 VanDerWaalsContact C-N 3.29Å; T213-Y215 PolarHBondContact O-N 3.2Å; Y215-L236 HydrophobicContact CE1-CB 3.85Å; Y215-L236 WeakPolarHBondContact CE1-O 3.34Å; Y215-L236 PolarHBondContact OH-O 3.37Å; Y215-K240 HydrophobicContact CD1-CB 4.37Å; Y215-K240 HydrophobicContact CD1-CD 3.82Å; Y215-K240 HydrophobicContact CD1-CG 3.86Å; Y215-K240 HydrophobicContact CE1-CB 3.7Å; Y215-K240 HydrophobicContact CE1-CD 4.02Å; Y215-K240 HydrophobicContact CE1-CG 3.61Å; Y215-K240 HydrophobicContact CE2-CG 4.33Å; Y215-K240 HydrophobicContact CG-CD 4.34Å; Y215-K240 HydrophobicContact CG-CG 4.34Å; Y215-K240 WeakPolarHBondContact OH-CA 3.24Å; Y215-A243 HydrophobicContact CE2-CB 4.25Å; Y215-A243 VanDerWaalsContact OH-CB 3.25Å; Y215-A243 WeakPolarHBondContact OH-CB 3.43Å; Y215-Y244 AromaticContact CD2-CE2 3.52Å; Y215-Y244 HydrophobicContact CD2-CE2 3.52Å; Y215-Y244 AromaticContact CD2-CZ 3.85Å; Y215-Y244 HydrophobicContact CE2-CD2 4.34Å; Y215-Y244 AromaticContact CE2-CE2 3.75Å; Y215-Y244 HydrophobicContact CE2-CE2 3.75Å; Y215-Y244 HydrophobicContact CG-CE2 4.22Å
216A92.5Very high90.8Very high75 Ų7554.6 Ų54.662%0.6234%0.339SS*.Hα-helixtrans-78.9-32.1173.500000112.8D212 T213 P218D212-A216 WeakPolarHBondContact O-CB 3.46Å; D212-A216 PolarHBondContact O-N 3.17Å; T213-A216 PolarHBondContact O-N 3.19Å; A216-P218 VanDerWaalsContact C-CD 3.42Å
217E91.3Very high90.3Very high64 Ų6460 Ų6030%0.29935%0.354SS..  trans-129.652.6-175.4-54.2-175.3148.500112.8T213 E219 K220T213-E217 PolarHBondContact O-N 3.42Å; E217-E219 PolarHBondContact O-N 3.19Å; E217-E219 VanDerWaalsContact O-N 3.1Å; E217-K220 HydrophobicContact CB-CD 4.14Å; E217-K220 HydrophobicContact CB-CG 4.24Å; E217-K220 PolarHBondContact O-N 3.02Å; E217-K220 IonicContact OE1-NZ 2.64Å; E217-K220 PolarHBondContact OE1-NZ 2.97Å; E217-K220 VanDerWaalsContact OE2-CD 3.22Å; E217-K220 WeakPolarHBondContact OE2-CD 3.24Å; E217-K220 WeakPolarHBondContact OE2-CE 3.38Å; E217-K220 IonicContact OE2-NZ 3.37Å; E217-K220 PolarHBondContact OE2-NZ 3.16Å
218P88.1Confident89.9Confident41 Ų4159.7 Ų59.727%0.26635%0.351SS..G310 helixtrans-61.1-25.6-172.426.4-35.8000113.4L214 A216 K220 I221 A233L214-P218 WeakPolarHBondContact O-CA 3.47Å; A216-P218 VanDerWaalsContact C-CD 3.42Å; P218-K220 VanDerWaalsContact C-N 3.28Å; P218-K220 PolarHBondContact O-N 3.23Å; P218-I221 HydrophobicContact CB-CD1 4.44Å; P218-I221 WeakPolarHBondContact O-CB 3.43Å; P218-I221 WeakPolarHBondContact O-CG1 3.3Å; P218-I221 PolarHBondContact O-N 3.05Å; P218-A233 HydrophobicContact CB-CB 4.16Å; P218-A233 WeakPolarHBondContact O-CB 3.32Å
219E89.4Confident89.7Confident124 Ų12458.3 Ų58.358%0.57934%0.344SS*.G310 helixtrans-64.4-28.9177.369-72.4168.400113.4E217 I221E217-E219 PolarHBondContact O-N 3.19Å; E217-E219 VanDerWaalsContact O-N 3.1Å; E219-I221 VanDerWaalsContact C-N 3.25Å; E219-I221 PolarHBondContact O-N 3.19Å
220K91Very high89.4Confident96 Ų9666.3 Ų66.342%0.41737%0.374SS..G310 helixtrans-73.4-19.7-179.7-62.4-170.1-169.2168.50112.5L208 E217 P218 A222 G223L208-K220 HydrophobicContact CD1-CB 4.16Å; L208-K220 HydrophobicContact CD2-CB 3.62Å; L208-K220 HydrophobicContact CD2-CD 4.26Å; E217-K220 HydrophobicContact CB-CD 4.14Å; E217-K220 HydrophobicContact CB-CG 4.24Å; E217-K220 PolarHBondContact O-N 3.02Å; E217-K220 IonicContact OE1-NZ 2.64Å; E217-K220 PolarHBondContact OE1-NZ 2.97Å; E217-K220 VanDerWaalsContact OE2-CD 3.22Å; E217-K220 WeakPolarHBondContact OE2-CD 3.24Å; E217-K220 WeakPolarHBondContact OE2-CE 3.38Å; E217-K220 IonicContact OE2-NZ 3.37Å; E217-K220 PolarHBondContact OE2-NZ 3.16Å; P218-K220 VanDerWaalsContact C-N 3.28Å; P218-K220 PolarHBondContact O-N 3.23Å; K220-A222 PolarHBondContact O-N 3.2Å; K220-G223 PolarHBondContact O-N 2.97Å
221I90.3Very high89Confident0 Ų069.9 Ų69.90%039%0.394CS..G310 helixtrans-59.9-36.5179.6-60.3170.6000111.3L204 L208 L214 P218 E219 G223 L224 F226 M232 A233 L236L204-I221 HydrophobicContact CD2-CG1 4.46Å; L204-I221 HydrophobicContact CD2-CG2 3.68Å; L208-I221 HydrophobicContact CD1-CB 4.23Å; L208-I221 HydrophobicContact CD1-CG1 3.5Å; L214-I221 HydrophobicContact CD2-CD1 4.37Å; L214-I221 HydrophobicContact CD2-CG1 4.25Å; P218-I221 HydrophobicContact CB-CD1 4.44Å; P218-I221 WeakPolarHBondContact O-CB 3.43Å; P218-I221 WeakPolarHBondContact O-CG1 3.3Å; P218-I221 PolarHBondContact O-N 3.05Å; E219-I221 VanDerWaalsContact C-N 3.25Å; E219-I221 PolarHBondContact O-N 3.19Å; I221-G223 PolarHBondContact O-N 3.23Å; I221-G223 VanDerWaalsContact O-N 3.14Å; I221-L224 WeakPolarHBondContact O-CB 3.4Å; I221-L224 PolarHBondContact O-N 3.24Å; I221-F226 HydrophobicContact CG2-CZ 4.38Å; I221-M232 HydrophobicContact CG2-CB 3.81Å; I221-M232 HydrophobicContact CG2-CG 4.12Å; I221-A233 HydrophobicContact CD1-CB 4.31Å; I221-L236 HydrophobicContact CD1-CD1 3.48Å; I221-L236 VanDerWaalsContact CD1-CD1 3.48Å
222A87.6Confident88.9Confident50 Ų5070.2 Ų70.241%0.41340%0.395SS..G310 helixtrans-63.6-19.6179.100000113.5K220K220-A222 PolarHBondContact O-N 3.2Å
223G88.3Confident88.7Confident72 Ų7266.2 Ų66.274%0.74238%0.377SS*.G310 helixtrans-81.4-10.6175.900000114.5K220 I221K220-G223 PolarHBondContact O-N 2.97Å; I221-G223 PolarHBondContact O-N 3.23Å; I221-G223 VanDerWaalsContact O-N 3.14Å
224L89.9Confident88.4Confident31 Ų3166.3 Ų66.316%0.16238%0.384CS..SBendtrans-76.9145-178.7-62.3178.7000112.4L204 L208 I221 F226 A229L204-L224 HydrophobicContact CD2-CD1 4.01Å; L208-L224 HydrophobicContact CD1-CD1 3.81Å; L208-L224 HydrophobicContact CD1-CG 4.33Å; L208-L224 HydrophobicContact CG-CD1 3.99Å; L208-L224 HydrophobicContact CG-CD2 4.26Å; L208-L224 HydrophobicContact CG-CG 4.38Å; I221-L224 WeakPolarHBondContact O-CB 3.4Å; I221-L224 PolarHBondContact O-N 3.24Å; L224-F226 VanDerWaalsContact C-N 3.34Å; L224-F226 HydrophobicContact CB-CD1 3.76Å; L224-F226 HydrophobicContact CB-CE1 3.66Å; L224-F226 HydrophobicContact CD1-CE1 3.89Å; L224-F226 HydrophobicContact CG-CE1 4.45Å; L224-F226 PolarHBondContact O-N 3.41Å; L224-F226 VanDerWaalsContact O-N 3.08Å; L224-A229 VanDerWaalsContact O-CB 3.24Å; L224-A229 WeakPolarHBondContact O-CB 3.29Å
225S81Confident88.2Confident130 Ų13070.4 Ų70.491%0.90940%0.402SS*.SBendtrans-87.960.7-173.758.60000113
226F86.9Confident88.2Confident36 Ų3669.5 Ų69.516%0.15840%0.398CS..SBendtrans-138.5158.2171.671.3-92.9000113.2T200 A203 L204 I221 L224 G228 A229 M232T200-F226 HydrophobicContact CG2-CD2 4.15Å; T200-F226 HydrophobicContact CG2-CE2 3.76Å; T200-F226 HydrophobicContact CG2-CZ 4.29Å; A203-F226 HydrophobicContact CB-CB 4.05Å; A203-F226 HydrophobicContact CB-CD1 3.67Å; A203-F226 HydrophobicContact CB-CE1 4.4Å; A203-F226 HydrophobicContact CB-CG 4.03Å; L204-F226 HydrophobicContact CD2-CE1 3.86Å; L204-F226 HydrophobicContact CD2-CZ 3.78Å; L204-F226 HydrophobicContact CG-CE1 4.16Å; L204-F226 HydrophobicContact CG-CZ 4.1Å; I221-F226 HydrophobicContact CG2-CZ 4.38Å; L224-F226 VanDerWaalsContact C-N 3.34Å; L224-F226 HydrophobicContact CB-CD1 3.76Å; L224-F226 HydrophobicContact CB-CE1 3.66Å; L224-F226 HydrophobicContact CD1-CE1 3.89Å; L224-F226 HydrophobicContact CG-CE1 4.45Å; L224-F226 PolarHBondContact O-N 3.41Å; L224-F226 VanDerWaalsContact O-N 3.08Å; F226-G228 PolarHBondContact O-N 2.76Å; F226-A229 HydrophobicContact CD1-CB 4.14Å; F226-A229 HydrophobicContact CD2-CB 4.33Å; F226-A229 HydrophobicContact CE1-CB 3.91Å; F226-A229 HydrophobicContact CE2-CB 4.08Å; F226-A229 HydrophobicContact CG-CB 4.34Å; F226-A229 HydrophobicContact CZ-CB 3.86Å; F226-A229 WeakPolarHBondContact O-CB 3.26Å; F226-A229 PolarHBondContact O-N 3.39Å; F226-M232 HydrophobicContact CE2-CB 4.46Å; F226-M232 HydrophobicContact CE2-CE 3.93Å; F226-M232 HydrophobicContact CZ-CB 4.19Å; F226-M232 HydrophobicContact CZ-CE 4.45Å; F226-M232 HydrophobicContact CZ-CG 4.15Å
227R82Confident88.1Confident245 Ų24571.1 Ų71.193%0.92539%0.393SS*.THydrogen-bonded Turntrans-65.1118.5-178-171.6179.1-177-178.71.3110.5
228G83.3Confident88.1Confident34 Ų3475.5 Ų75.535%0.35141%0.414SS..THydrogen-bonded Turntrans95.13.3-179.800000115F226 K230 T231 M232F226-G228 PolarHBondContact O-N 2.76Å; G228-K230 VanDerWaalsContact C-N 3.26Å; G228-K230 PolarHBondContact O-N 3.45Å; G228-T231 PolarHBondContact O-N 2.96Å; G228-T231 PolarHBondContact O-OG1 3.22Å; G228-M232 PolarHBondContact O-N 3.27Å
229A85.6Confident88.4Confident5 Ų575.1 Ų75.14%0.04141%0.409CS..Hα-helixtrans-50.4-42.9179.200000113.6L224 F226 T231 M232L224-A229 VanDerWaalsContact O-CB 3.24Å; L224-A229 WeakPolarHBondContact O-CB 3.29Å; F226-A229 HydrophobicContact CD1-CB 4.14Å; F226-A229 HydrophobicContact CD2-CB 4.33Å; F226-A229 HydrophobicContact CE1-CB 3.91Å; F226-A229 HydrophobicContact CE2-CB 4.08Å; F226-A229 HydrophobicContact CG-CB 4.34Å; F226-A229 HydrophobicContact CZ-CB 3.86Å; F226-A229 WeakPolarHBondContact O-CB 3.26Å; F226-A229 PolarHBondContact O-N 3.39Å; A229-T231 VanDerWaalsContact C-N 3.25Å; A229-T231 PolarHBondContact O-N 3.27Å; A229-M232 WeakPolarHBondContact O-CB 3.49Å; A229-M232 PolarHBondContact O-N 2.96Å
230K86.4Confident88.6Confident186 Ų18672.9 Ų72.981%0.80940%0.397SS*.Hα-helixtrans-61.7-24.7-180-64.4-173.1179.3-176.60115.1G228G228-K230 VanDerWaalsContact C-N 3.26Å; G228-K230 PolarHBondContact O-N 3.45Å
231T87.9Confident88.8Confident87 Ų8776.7 Ų76.753%0.53442%0.417SS..Hα-helixtrans-108.9-1.4-179.757.20000112.7G228 A229G228-T231 PolarHBondContact O-N 2.96Å; G228-T231 PolarHBondContact O-OG1 3.22Å; A229-T231 VanDerWaalsContact C-N 3.25Å; A229-T231 PolarHBondContact O-N 3.27Å
232M91.3Very high89Confident8 Ų879.1 Ų79.14%0.03943%0.431CS..Hα-helixtrans-71.6-38.8-173.3-172.157.867.400112.5V196 T200 L204 I221 F226 G228 A229 A234 K235 L236V196-M232 HydrophobicContact CG2-CE 4.23Å; V196-M232 HydrophobicContact CG2-SD 3.8Å; T200-M232 HydrophobicContact CG2-CE 3.62Å; L204-M232 HydrophobicContact CD1-CG 4.34Å; L204-M232 HydrophobicContact CD2-CG 4.24Å; I221-M232 HydrophobicContact CG2-CB 3.81Å; I221-M232 HydrophobicContact CG2-CG 4.12Å; F226-M232 HydrophobicContact CE2-CB 4.46Å; F226-M232 HydrophobicContact CE2-CE 3.93Å; F226-M232 HydrophobicContact CZ-CB 4.19Å; F226-M232 HydrophobicContact CZ-CE 4.45Å; F226-M232 HydrophobicContact CZ-CG 4.15Å; G228-M232 PolarHBondContact O-N 3.27Å; A229-M232 WeakPolarHBondContact O-CB 3.49Å; A229-M232 PolarHBondContact O-N 2.96Å; M232-A234 VanDerWaalsContact C-N 3.29Å; M232-A234 PolarHBondContact O-N 3.22Å; M232-K235 WeakPolarHBondContact O-CA 3.45Å; M232-K235 WeakPolarHBondContact O-CB 3.05Å; M232-K235 PolarHBondContact O-N 3.19Å; M232-K235 HydrophobicContact SD-CB 4.3Å; M232-K235 HydrophobicContact SD-CD 4.4Å; M232-L236 HydrophobicContact CG-CD1 4.3Å; M232-L236 HydrophobicContact CG-CG 4.26Å; M232-L236 PolarHBondContact O-N 2.85Å
233A89.5Confident89.3Confident28 Ų2876.7 Ų76.723%0.23141%0.412CS..Hα-helixtrans-53.3-45.1178.600000112.6P218 I221 K235 L236 E237P218-A233 HydrophobicContact CB-CB 4.16Å; P218-A233 WeakPolarHBondContact O-CB 3.32Å; I221-A233 HydrophobicContact CD1-CB 4.31Å; A233-K235 VanDerWaalsContact C-N 3.34Å; A233-K235 PolarHBondContact O-N 3.5Å; A233-L236 PolarHBondContact O-N 2.99Å; A233-E237 PolarHBondContact O-N 3.03Å
234A88.7Confident89.7Confident57 Ų5776.8 Ų76.847%0.47139%0.39SS..Hα-helixtrans-65.6-35.6177.400000112.9M232 Q238M232-A234 VanDerWaalsContact C-N 3.29Å; M232-A234 PolarHBondContact O-N 3.22Å; A234-Q238 VanDerWaalsContact O-CG 3.27Å; A234-Q238 WeakPolarHBondContact O-CG 3.16Å; A234-Q238 PolarHBondContact O-N 2.89Å; A234-Q238 VanDerWaalsContact O-N 3.12Å
235K89Confident90Very high87 Ų8777.4 Ų77.438%0.37839%0.393SS..Hα-helixtrans-69.2-42.4176.4-72-173.7175.6-171.10112.1M232 A233 Q238 N239M232-K235 WeakPolarHBondContact O-CA 3.45Å; M232-K235 WeakPolarHBondContact O-CB 3.05Å; M232-K235 PolarHBondContact O-N 3.19Å; M232-K235 HydrophobicContact SD-CB 4.3Å; M232-K235 HydrophobicContact SD-CD 4.4Å; A233-K235 VanDerWaalsContact C-N 3.34Å; A233-K235 PolarHBondContact O-N 3.5Å; K235-Q238 PolarHBondContact O-N 3.41Å; K235-N239 PolarHBondContact O-N 2.88Å; K235-N239 PolarHBondContact O-ND2 2.96Å
236L91.4Very high90.8Very high3 Ų371.2 Ų71.22%0.01635%0.35CS..Hα-helixtrans-60.5-49175.3-70.3176.2000109.8L182 V193 L214 Y215 I221 M232 A233 Q238 N239 K240L182-L236 HydrophobicContact CD2-CD2 3.8Å; V193-L236 HydrophobicContact CG1-CD2 4.18Å; V193-L236 HydrophobicContact CG2-CD2 4.22Å; L214-L236 HydrophobicContact CB-CD1 4.45Å; Y215-L236 HydrophobicContact CE1-CB 3.85Å; Y215-L236 WeakPolarHBondContact CE1-O 3.34Å; Y215-L236 PolarHBondContact OH-O 3.37Å; I221-L236 HydrophobicContact CD1-CD1 3.48Å; I221-L236 VanDerWaalsContact CD1-CD1 3.48Å; M232-L236 HydrophobicContact CG-CD1 4.3Å; M232-L236 HydrophobicContact CG-CG 4.26Å; M232-L236 PolarHBondContact O-N 2.85Å; A233-L236 PolarHBondContact O-N 2.99Å; L236-Q238 VanDerWaalsContact C-N 3.32Å; L236-Q238 PolarHBondContact O-N 2.88Å; L236-N239 CarbonylContact O-C 3.52Å; L236-N239 VanDerWaalsContact O-C 3.28Å; L236-N239 PolarHBondContact O-N 3.22Å; L236-K240 PolarHBondContact O-N 2.73Å
237E91.4Very high91.3Very high109 Ų10973 Ų7351%0.50936%0.356SS..Hα-helixtrans-58-43179.6-170.860.5-158.900112.4A233 N239 K240A233-E237 PolarHBondContact O-N 3.03Å; E237-N239 PolarHBondContact O-N 2.81Å; E237-K240 WeakPolarHBondContact O-CB 3.4Å; E237-K240 PolarHBondContact O-N 3.05Å
238Q92.2Very high92Very high157 Ų15766.2 Ų66.273%0.73434%0.335SS*.Hα-helixtrans-64.3-24.5176.4-74.3172.113.700114.1A234 K235 L236A234-Q238 VanDerWaalsContact O-CG 3.27Å; A234-Q238 WeakPolarHBondContact O-CG 3.16Å; A234-Q238 PolarHBondContact O-N 2.89Å; A234-Q238 VanDerWaalsContact O-N 3.12Å; K235-Q238 PolarHBondContact O-N 3.41Å; L236-Q238 VanDerWaalsContact C-N 3.32Å; L236-Q238 PolarHBondContact O-N 2.88Å
239N93.3Very high92.6Very high33 Ų3364.6 Ų64.618%0.17632%0.318CS..THydrogen-bonded Turntrans-117.321.6-176.1-63.7-86.2000111.7V193 P194 K235 L236 E237 E241 V242 A243V193-N239 HydrophobicContact CG1-CB 4.02Å; P194-N239 WeakPolarHBondContact CD-OD1 3.26Å; K235-N239 PolarHBondContact O-N 2.88Å; K235-N239 PolarHBondContact O-ND2 2.96Å; L236-N239 CarbonylContact O-C 3.52Å; L236-N239 VanDerWaalsContact O-C 3.28Å; L236-N239 PolarHBondContact O-N 3.22Å; E237-N239 PolarHBondContact O-N 2.81Å; N239-E241 PolarHBondContact O-N 2.91Å; N239-V242 PolarHBondContact O-N 2.84Å; N239-A243 WeakPolarHBondContact O-CB 3.47Å; N239-A243 PolarHBondContact O-N 2.97Å
240K94Very high93Very high76 Ų7664.5 Ų64.533%0.3332%0.318SS..Hα-helixtrans-57.3-48.4-176.7-175.6172.9-174.3173.50111.9Y215 L236 E237 V242 A243 Y244Y215-K240 HydrophobicContact CD1-CB 4.37Å; Y215-K240 HydrophobicContact CD1-CD 3.82Å; Y215-K240 HydrophobicContact CD1-CG 3.86Å; Y215-K240 HydrophobicContact CE1-CB 3.7Å; Y215-K240 HydrophobicContact CE1-CD 4.02Å; Y215-K240 HydrophobicContact CE1-CG 3.61Å; Y215-K240 HydrophobicContact CE2-CG 4.33Å; Y215-K240 HydrophobicContact CG-CD 4.34Å; Y215-K240 HydrophobicContact CG-CG 4.34Å; Y215-K240 WeakPolarHBondContact OH-CA 3.24Å; L236-K240 PolarHBondContact O-N 2.73Å; E237-K240 WeakPolarHBondContact O-CB 3.4Å; E237-K240 PolarHBondContact O-N 3.05Å; K240-V242 VanDerWaalsContact C-N 3.33Å; K240-V242 PolarHBondContact O-N 2.79Å; K240-A243 PolarHBondContact O-N 3.37Å; K240-Y244 HydrophobicContact CG-CD2 3.86Å; K240-Y244 HydrophobicContact CG-CE2 3.84Å; K240-Y244 VanDerWaalsContact O-CD2 3.31Å; K240-Y244 WeakPolarHBondContact O-CD2 3.44Å; K240-Y244 PolarHBondContact O-N 3.4Å
241E94.4Very high93.6Very high177 Ų17757.5 Ų57.583%0.82729%0.291SS*.Hα-helixtrans-60.5-42.3178-64.2-177.3174.200112N239 Y244 L245N239-E241 PolarHBondContact O-N 2.91Å; E241-Y244 PolarHBondContact O-N 2.78Å; E241-L245 WeakPolarHBondContact O-CB 3.43Å; E241-L245 PolarHBondContact O-N 3Å
242V94.2Very high94Very high50 Ų5053.8 Ų53.830%0.30327%0.267SS..Hα-helixtrans-67-38.4178.1-178.90000111.4P191 G192 N239 K240 S246P191-V242 HydrophobicContact CB-CG1 3.97Å; P191-V242 HydrophobicContact CG-CG1 3.74Å; G192-V242 VanDerWaalsContact O-CG1 3.26Å; G192-V242 WeakPolarHBondContact O-CG1 3.32Å; N239-V242 PolarHBondContact O-N 2.84Å; K240-V242 VanDerWaalsContact C-N 3.33Å; K240-V242 PolarHBondContact O-N 2.79Å; V242-S246 VanDerWaalsContact O-CB 3.28Å; V242-S246 WeakPolarHBondContact O-CB 3.26Å; V242-S246 PolarHBondContact O-N 3.44Å; V242-S246 PolarHBondContact O-OG 3.25Å
243A94.8Very high94.2Very high0 Ų056.7 Ų56.70%028%0.28CS..Hα-helixtrans-63.8-47.6176.700000111.3V193 L211 Y215 N239 K240 S246 Y247V193-A243 HydrophobicContact CG2-CB 3.71Å; L211-A243 HydrophobicContact CD2-CB 4Å; Y215-A243 HydrophobicContact CE2-CB 4.25Å; Y215-A243 VanDerWaalsContact OH-CB 3.25Å; Y215-A243 WeakPolarHBondContact OH-CB 3.43Å; N239-A243 WeakPolarHBondContact O-CB 3.47Å; N239-A243 PolarHBondContact O-N 2.97Å; K240-A243 PolarHBondContact O-N 3.37Å; A243-S246 PolarHBondContact O-N 2.88Å; A243-Y247 WeakPolarHBondContact O-CB 3.18Å; A243-Y247 PolarHBondContact O-N 3.19Å
244Y97.1Very high94.6Very high73 Ų7358.1 Ų58.129%0.28629%0.285SS..Hα-helixtrans-70.3-33.3177.7-79.3-75.3000112.9D212 Y215 K240 E241 Y247 Q248D212-Y244 WeakPolarHBondContact OD1-CE1 3.28Å; D212-Y244 PolarHBondContact OD1-OH 3.34Å; Y215-Y244 AromaticContact CD2-CE2 3.52Å; Y215-Y244 HydrophobicContact CD2-CE2 3.52Å; Y215-Y244 AromaticContact CD2-CZ 3.85Å; Y215-Y244 HydrophobicContact CE2-CD2 4.34Å; Y215-Y244 AromaticContact CE2-CE2 3.75Å; Y215-Y244 HydrophobicContact CE2-CE2 3.75Å; Y215-Y244 HydrophobicContact CG-CE2 4.22Å; K240-Y244 HydrophobicContact CG-CD2 3.86Å; K240-Y244 HydrophobicContact CG-CE2 3.84Å; K240-Y244 VanDerWaalsContact O-CD2 3.31Å; K240-Y244 WeakPolarHBondContact O-CD2 3.44Å; K240-Y244 PolarHBondContact O-N 3.4Å; E241-Y244 PolarHBondContact O-N 2.78Å; Y244-Y247 WeakPolarHBondContact O-CB 3.39Å; Y244-Y247 PolarHBondContact O-N 2.8Å; Y244-Q248 WeakPolarHBondContact O-CG 3.33Å; Y244-Q248 PolarHBondContact O-N 2.82Å
245L96.3Very high94.9Very high44 Ų4460.4 Ų60.423%0.2329%0.29CS..Hα-helixtrans-63.5-46.4169.9179.263.6000111F74 E241 Y247 Q248 L249F74-L245 HydrophobicContact CD2-CD2 4Å; E241-L245 WeakPolarHBondContact O-CB 3.43Å; E241-L245 PolarHBondContact O-N 3Å; L245-Y247 VanDerWaalsContact C-N 3.26Å; L245-Y247 PolarHBondContact O-N 2.99Å; L245-Q248 PolarHBondContact O-N 3.43Å; L245-Q248 VanDerWaalsContact O-N 3.15Å; L245-L249 HydrophobicContact CD1-CD1 4.49Å; L245-L249 HydrophobicContact CD1-CG 4.46Å; L245-L249 HydrophobicContact CG-CD1 4.12Å; L245-L249 WeakPolarHBondContact O-CG 3.31Å; L245-L249 PolarHBondContact O-N 2.95Å
246S96.8Very high95.2Very high0 Ų057 Ų570%028%0.276CS..Hα-helixtrans-61.5-37.5177-590000111.5A181 P191 G192 V242 A243 L249 A250A181-S246 WeakPolarHBondContact O-CB 3.48Å; P191-S246 WeakPolarHBondContact CG-OG 3.44Å; G192-S246 PolarHBondContact N-OG 3.3Å; G192-S246 VanDerWaalsContact N-OG 3.15Å; V242-S246 VanDerWaalsContact O-CB 3.28Å; V242-S246 WeakPolarHBondContact O-CB 3.26Å; V242-S246 PolarHBondContact O-N 3.44Å; V242-S246 PolarHBondContact O-OG 3.25Å; A243-S246 PolarHBondContact O-N 2.88Å; S246-L249 PolarHBondContact O-N 2.86Å; S246-A250 VanDerWaalsContact O-CB 3.31Å; S246-A250 WeakPolarHBondContact O-CB 3.48Å; S246-A250 PolarHBondContact O-N 3.43Å
247Y97.4Very high95.3Very high75 Ų7566 Ų6629%0.29432%0.318SS..Hα-helixtrans-59.9-49172.5-172.5-79.4000111.4I177 A181 L211 A243 Y244 L245 L249 A250 T251I177-Y247 HydrophobicContact CB-CD2 4.31Å; I177-Y247 HydrophobicContact CB-CE2 3.87Å; I177-Y247 HydrophobicContact CG2-CD1 3.97Å; I177-Y247 HydrophobicContact CG2-CD2 3.56Å; I177-Y247 HydrophobicContact CG2-CE1 3.9Å; I177-Y247 HydrophobicContact CG2-CE2 3.49Å; I177-Y247 VanDerWaalsContact CG2-CE2 3.49Å; I177-Y247 HydrophobicContact CG2-CG 3.79Å; A181-Y247 HydrophobicContact CB-CD2 4.16Å; A181-Y247 HydrophobicContact CB-CG 4.43Å; L211-Y247 HydrophobicContact CD1-CD2 4.47Å; L211-Y247 HydrophobicContact CD2-CD2 4.07Å; L211-Y247 HydrophobicContact CD2-CG 4.48Å; A243-Y247 WeakPolarHBondContact O-CB 3.18Å; A243-Y247 PolarHBondContact O-N 3.19Å; Y244-Y247 WeakPolarHBondContact O-CB 3.39Å; Y244-Y247 PolarHBondContact O-N 2.8Å; L245-Y247 VanDerWaalsContact C-N 3.26Å; L245-Y247 PolarHBondContact O-N 2.99Å; Y247-L249 PolarHBondContact O-N 3.11Å; Y247-A250 PolarHBondContact O-N 3.28Å; Y247-T251 WeakPolarHBondContact O-CB 3.4Å; Y247-T251 PolarHBondContact O-N 2.68Å; Y247-T251 PolarHBondContact O-OG1 2.84Å
248Q96.1Very high95.4Very high101 Ų10162.6 Ų62.647%0.47230%0.304SS..Hα-helixtrans-61.2-41.4177.1-72.4176.8-22.500112.6L73 Y244 L245 T251L73-Q248 HydrophobicContact CD1-CB 4.45Å; Y244-Q248 WeakPolarHBondContact O-CG 3.33Å; Y244-Q248 PolarHBondContact O-N 2.82Å; L245-Q248 PolarHBondContact O-N 3.43Å; L245-Q248 VanDerWaalsContact O-N 3.15Å; Q248-T251 PolarHBondContact O-N 2.84Å
249L96Very high95.3Very high1 Ų164.2 Ų64.21%0.00531%0.311CS..Hα-helixtrans-65.7-40.2177.3-66.8170.1000112.1R70 L73 F74 Y77 I190 L245 S246 Y247R70-L249 HydrophobicContact CB-CD2 3.99Å; R70-L249 WeakPolarHBondContact CD-O 3.43Å; R70-L249 HydrophobicContact CG-CD2 4.3Å; R70-L249 PolarHBondContact NE-O 3.07Å; L73-L249 HydrophobicContact CB-CD2 4.2Å; F74-L249 HydrophobicContact CB-CD1 3.77Å; F74-L249 HydrophobicContact CB-CD2 3.77Å; F74-L249 HydrophobicContact CB-CG 4.34Å; F74-L249 HydrophobicContact CD1-CD1 3.83Å; F74-L249 HydrophobicContact CG-CD1 3.92Å; Y77-L249 HydrophobicContact CD2-CD2 4.1Å; Y77-L249 HydrophobicContact CG-CD2 4.48Å; I190-L249 HydrophobicContact CD1-CB 4.31Å; I190-L249 HydrophobicContact CG1-CB 4.18Å; L245-L249 HydrophobicContact CD1-CD1 4.49Å; L245-L249 HydrophobicContact CD1-CG 4.46Å; L245-L249 HydrophobicContact CG-CD1 4.12Å; L245-L249 WeakPolarHBondContact O-CG 3.31Å; L245-L249 PolarHBondContact O-N 2.95Å; S246-L249 PolarHBondContact O-N 2.86Å; Y247-L249 PolarHBondContact O-N 3.11Å
250A95.9Very high95.1Very high3 Ų365.6 Ų65.63%0.02532%0.318CS..Hα-helixtrans-78.6-15.7179.600000114.3Q143 I177 L180 I190 S246 Y247 I252Q143-A250 PolarHBondContact NE2-O 2.69Å; I177-A250 HydrophobicContact CG2-CB 4.37Å; L180-A250 HydrophobicContact CB-CB 3.89Å; L180-A250 HydrophobicContact CD1-CB 4.33Å; I190-A250 HydrophobicContact CD1-CB 4.06Å; S246-A250 VanDerWaalsContact O-CB 3.31Å; S246-A250 WeakPolarHBondContact O-CB 3.48Å; S246-A250 PolarHBondContact O-N 3.43Å; Y247-A250 PolarHBondContact O-N 3.28Å; A250-I252 PolarHBondContact O-N 3.08Å
251T97Very high95Very high39 Ų3964.7 Ų64.724%0.23932%0.319CS..PPolyproline II helixtrans-74124.9-178.3-62.20000110.4R70 I177 Y247 Q248R70-T251 PolarHBondContact NH2-O 3.08Å; I177-T251 HydrophobicContact CD1-CG2 4.25Å; I177-T251 WeakPolarHBondContact CG2-OG1 3.44Å; Y247-T251 WeakPolarHBondContact O-CB 3.4Å; Y247-T251 PolarHBondContact O-N 2.68Å; Y247-T251 PolarHBondContact O-OG1 2.84Å; Q248-T251 PolarHBondContact O-N 2.84Å
252I97.2Very high94.8Very high8 Ų856.3 Ų56.34%0.04128%0.28CS..PPolyproline II helixtrans-76.6123.9169.4-69.4170.6000108.9D115 M141 Q143 L144 A250 T254D115-I252 HydrophobicContact CB-CD1 4.45Å; D115-I252 HydrophobicContact CB-CG1 4.37Å; D115-I252 VanDerWaalsContact O-CG2 3.3Å; D115-I252 WeakPolarHBondContact O-CG2 3.18Å; M141-I252 HydrophobicContact CE-CD1 3.5Å; M141-I252 VanDerWaalsContact CE-CD1 3.5Å; M141-I252 HydrophobicContact SD-CD1 4.16Å; Q143-I252 HydrophobicContact CG-CB 4.45Å; Q143-I252 HydrophobicContact CG-CD1 3.84Å; Q143-I252 HydrophobicContact CG-CG1 4.32Å; L144-I252 HydrophobicContact CD1-CD1 4.04Å; L144-I252 HydrophobicContact CD1-CG2 4.47Å; L144-I252 HydrophobicContact CD2-CG2 4.28Å; L144-I252 HydrophobicContact CG-CD1 4.14Å; A250-I252 PolarHBondContact O-N 3.08Å; I252-T254 HydrophobicContact CG2-CG2 4.36Å
253K96Very high94.6Very high69 Ų6959.7 Ų59.730%0.329%0.293SS..PPolyproline II helixtrans-69.6130.2173.9-175.1179.7168.264.60108.9F69 V112 D116 T120 D255 V256F69-K253 HydrophobicContact CE1-CB 4.35Å; F69-K253 HydrophobicContact CE1-CD 4.45Å; F69-K253 HydrophobicContact CZ-CB 4.39Å; V112-K253 HydrophobicContact CG1-CD 4.42Å; D116-K253 CarbonylContact C-O 3.52Å; D116-K253 VanDerWaalsContact CA-O 3.31Å; D116-K253 WeakPolarHBondContact CA-O 3.34Å; D116-K253 HydrophobicContact CB-CB 4Å; D116-K253 WeakPolarHBondContact OD1-CB 3.35Å; D116-K253 PolarHBondContact OD1-N 3.48Å; T120-K253 PolarHBondContact OG1-O 3.47Å; K253-D255 VanDerWaalsContact CE-OD1 3.32Å; K253-D255 WeakPolarHBondContact CE-OD1 3.35Å; K253-D255 WeakPolarHBondContact CG-OD1 3.47Å; K253-D255 IonicContact NZ-OD1 3.23Å; K253-D255 PolarHBondContact NZ-OD1 3.05Å; K253-D255 IonicContact NZ-OD2 2.67Å; K253-D255 PolarHBondContact NZ-OD2 3.49Å; K253-V256 HydrophobicContact CB-CG2 4.48Å; K253-V256 HydrophobicContact CD-CG2 4.02Å; K253-V256 HydrophobicContact CG-CG2 4.1Å
254T96.4Very high94.5Very high58 Ų5864.9 Ų64.936%0.35632%0.317SS..  trans-120.816.7-175.556.10000113.7T120 R123 L144 I252T120-T254 WeakPolarHBondContact OG1-CA 3.29Å; R123-T254 HydrophobicContact CG-CG2 3.87Å; L144-T254 HydrophobicContact CD2-CG2 3.96Å; I252-T254 HydrophobicContact CG2-CG2 4.36Å
255D95.9Very high94.4Very high106 Ų10661.4 Ų61.457%0.56730%0.303SS*.  trans-131.437.2-178.266.1-34000111T120 K253T120-D255 PolarHBondContact OG1-N 3.23Å; K253-D255 VanDerWaalsContact CE-OD1 3.32Å; K253-D255 WeakPolarHBondContact CE-OD1 3.35Å; K253-D255 WeakPolarHBondContact CG-OD1 3.47Å; K253-D255 IonicContact NZ-OD1 3.23Å; K253-D255 PolarHBondContact NZ-OD1 3.05Å; K253-D255 IonicContact NZ-OD2 2.67Å; K253-D255 PolarHBondContact NZ-OD2 3.49Å
256V95.6Very high94.3Very high15 Ų1564.1 Ų64.19%0.09131%0.314CS..  trans-70.4136.1174.5-177.10000109.6V109 V112 D116 T120 K253 L258V109-V256 HydrophobicContact CG1-CG1 4.2Å; V112-V256 HydrophobicContact CG1-CG2 4.18Å; V112-V256 HydrophobicContact CG2-CG1 4.05Å; V112-V256 HydrophobicContact CG2-CG2 4.4Å; D116-V256 HydrophobicContact CB-CG2 3.88Å; T120-V256 HydrophobicContact CG2-CB 4.35Å; T120-V256 WeakPolarHBondContact OG1-CB 3.34Å; T120-V256 WeakPolarHBondContact OG1-CG2 3.46Å; T120-V256 PolarHBondContact OG1-N 2.89Å; T120-V256 VanDerWaalsContact OG1-N 3.13Å; K253-V256 HydrophobicContact CB-CG2 4.48Å; K253-V256 HydrophobicContact CD-CG2 4.02Å; K253-V256 HydrophobicContact CG-CG2 4.1Å; V256-L258 HydrophobicContact CB-CD2 4.13Å; V256-L258 HydrophobicContact CB-CG 4.39Å; V256-L258 HydrophobicContact CG1-CD2 3.67Å; V256-L258 HydrophobicContact CG1-CG 4.34Å; V256-L258 PolarHBondContact O-N 3.33Å
257E93.3Very high94.2Very high191 Ų19166 Ų6689%0.89333%0.326SS*.  trans-71.9112.6170.2-67.9-175.9176.700109.3
258L93.9Very high93.9Very high39 Ų3967.6 Ų67.620%0.20434%0.336CS..  trans-113.4141.5-177.1-59.6178.7000110.8V109 V117 T120 L121 V256 L260V109-L258 HydrophobicContact CG2-CD2 3.84Å; V117-L258 HydrophobicContact CB-CD2 4.44Å; V117-L258 HydrophobicContact CG1-CD1 4.32Å; V117-L258 HydrophobicContact CG1-CD2 3.88Å; V117-L258 HydrophobicContact CG2-CD2 4.18Å; T120-L258 HydrophobicContact CG2-CD1 3.78Å; T120-L258 HydrophobicContact CG2-CG 4.3Å; L121-L258 HydrophobicContact CD1-CD1 4.36Å; L121-L258 HydrophobicContact CD2-CD1 3.63Å; L121-L258 HydrophobicContact CG-CD1 3.61Å; V256-L258 HydrophobicContact CB-CD2 4.13Å; V256-L258 HydrophobicContact CB-CG 4.39Å; V256-L258 HydrophobicContact CG1-CD2 3.67Å; V256-L258 HydrophobicContact CG1-CG 4.34Å; V256-L258 PolarHBondContact O-N 3.33Å; L258-L260 VanDerWaalsContact C-N 3.31Å
259E89.3Confident93.5Very high191 Ų19171.4 Ų71.489%0.89335%0.354SS*.SBendtrans-71.8-26.6176.4-64.5-175.6165.300113
260L90.5Very high93.2Very high61 Ų6173.4 Ų73.432%0.31937%0.367SS..SBendtrans-118.9131.4-179.9-63.2178.5000109.9L107 L258 Q264 L265L107-L260 HydrophobicContact CD2-CD1 4.18Å; L258-L260 VanDerWaalsContact C-N 3.31Å; L260-Q264 HydrophobicContact CD2-CB 4.3Å; L260-L265 HydrophobicContact CB-CD2 4.08Å; L260-L265 HydrophobicContact CD1-CD2 4.16Å
261T91.2Very high93Very high57 Ų5775 Ų7535%0.3538%0.38SS..  trans-80162.6171.862.70000110.7E124 E263 Q264E124-T261 WeakPolarHBondContact OE1-CA 3.34Å; E124-T261 WeakPolarHBondContact OE1-CB 3.29Å; T261-E263 PolarHBondContact O-N 2.91Å; T261-E263 VanDerWaalsContact O-N 3.16Å; T261-Q264 PolarHBondContact O-N 3.3Å; T261-Q264 WeakPolarHBondContact OG1-CG 3.43Å; T261-Q264 PolarHBondContact OG1-OE1 2.92Å
262C90.2Very high92.6Very high2 Ų275.7 Ų75.71%0.01439%0.39CS..G310 helixtrans-60.4-26.9179.868.20000113.7L9 L121 E124 A125L9-C262 HydrophobicContact CD2-CB 3.99Å; L121-C262 HydrophobicContact CD2-CB 4.32Å; E124-C262 HydrophobicContact CB-CB 4.44Å; E124-C262 HydrophobicContact CG-CB 4.47Å; E124-C262 PolarHBondContact OE1-N 3.4Å; E124-C262 PolarHBondContact OE1-SG 2.88Å; A125-C262 HydrophobicContact CB-CB 4Å
263E89.6Confident92.2Very high121 Ų12183.8 Ų83.857%0.56543%0.428SS*.G310 helixtrans-73.1-27.8175.3-64.6-172.3162.500112.9H57 T261 L265H57-E263 PolarHBondContact CD2-O 3.31Å; H57-E263 PolarHBondContact NE2-O 3.16Å; T261-E263 PolarHBondContact O-N 2.91Å; T261-E263 VanDerWaalsContact O-N 3.16Å; E263-L265 VanDerWaalsContact C-N 3.3Å; E263-L265 PolarHBondContact O-N 3.07Å
264Q92.9Very high92Very high108 Ų10886.2 Ų86.251%0.50544%0.44SS..G310 helixtrans-83.8-5-179-67.6172.5-49.200113.3L260 T261 E266L260-Q264 HydrophobicContact CD2-CB 4.3Å; T261-Q264 PolarHBondContact O-N 3.3Å; T261-Q264 WeakPolarHBondContact OG1-CG 3.43Å; T261-Q264 PolarHBondContact OG1-OE1 2.92Å; Q264-E266 PolarHBondContact O-N 3.26Å
265L95.5Very high91.8Very high0 Ų083.5 Ų83.50%042%0.423CS..  trans-80.745.4-179-58.8176.9000112.5L9 L11 H57 A58 A59 P105 L107 L121 L260 E263L9-L265 HydrophobicContact CD1-CB 4.34Å; L9-L265 HydrophobicContact CD1-CD1 4.25Å; L11-L265 HydrophobicContact CD2-CD1 4.3Å; H57-L265 CarbonylContact C-O 3.48Å; H57-L265 WeakPolarHBondContact CA-O 3.45Å; H57-L265 VanDerWaalsContact CB-O 3.32Å; H57-L265 WeakPolarHBondContact CB-O 3.33Å; A58-L265 PolarHBondContact N-O 3.46Å; A59-L265 HydrophobicContact CB-CD1 3.87Å; A59-L265 HydrophobicContact CB-CD2 4.11Å; A59-L265 HydrophobicContact CB-CG 4.41Å; P105-L265 HydrophobicContact CB-CD2 3.92Å; P105-L265 HydrophobicContact CG-CB 4.43Å; P105-L265 HydrophobicContact CG-CD2 4.44Å; L107-L265 HydrophobicContact CD1-CD2 4.27Å; L121-L265 HydrophobicContact CD1-CD1 3.8Å; L121-L265 HydrophobicContact CD2-CD1 3.84Å; L121-L265 HydrophobicContact CG-CD1 4.35Å; L260-L265 HydrophobicContact CB-CD2 4.08Å; L260-L265 HydrophobicContact CD1-CD2 4.16Å; E263-L265 VanDerWaalsContact C-N 3.3Å; E263-L265 PolarHBondContact O-N 3.07Å
266E94.1Very high91.5Very high101 Ų10180.3 Ų80.347%0.47241%0.406SS..BIsolated β-bridgetrans-68.9134.6-179.8-67.6-173.9173.300111.9Q264 Q268Q264-E266 PolarHBondContact O-N 3.26Å; E266-Q268 PolarHBondContact O-N 3.41Å; E266-Q268 PolarHBondContact OE2-NE2 2.81Å
267V94Very high91.3Very high41 Ų4181.7 Ų81.725%0.24842%0.423CS..  trans-75.9113.7171.2178.20000108.9P55 T56 A58 L104P55-V267 HydrophobicContact CG-CG2 4.37Å; T56-V267 PolarHBondContact O-N 2.9Å; A58-V267 HydrophobicContact CB-CG2 3.63Å; L104-V267 HydrophobicContact CD2-CG1 4.02Å; L104-V267 HydrophobicContact CD2-CG2 4.05Å
268Q92Very high91.3Very high108 Ų10874.2 Ų74.251%0.50539%0.389SS..PPolyproline II helixtrans-85.8164.7177.9-59.6-57.9-40.900111.1G103 E266G103-Q268 PolarHBondContact O-N 2.93Å; E266-Q268 PolarHBondContact O-N 3.41Å; E266-Q268 PolarHBondContact OE2-NE2 2.81Å
269Q88Confident91.3Very high180 Ų18072.3 Ų72.384%0.84138%0.379SS*.PPolyproline II helixtrans-65.7141.3169.3-72-161.950.700110.3A271Q269-A271 PolarHBondContact O-N 2.93Å
270P89.7Confident91.3Very high44 Ų4468.3 Ų68.329%0.28636%0.359SS..PPolyproline II helixtrans-59.3137.3177.9-19.627.7000112.4A101 A272 L275 L297A101-P270 CarbonylContact O-C 3.55Å; A101-P270 VanDerWaalsContact O-CA 3.28Å; A101-P270 WeakPolarHBondContact O-CA 3.21Å; P270-A272 VanDerWaalsContact C-N 3.32Å; P270-A272 PolarHBondContact O-N 2.71Å; P270-L275 HydrophobicContact CB-CD1 3.66Å; P270-L297 HydrophobicContact CG-CD1 3.33Å; P270-L297 HydrophobicContact CG-CG 4.47Å
271A91.3Very high91.4Very high35 Ų3570.7 Ų70.729%0.28937%0.367SS..  trans-73.185.9170.600000109.3A101 Q269 E273 E274 L275A101-A271 HydrophobicContact CB-CB 4.41Å; A101-A271 PolarHBondContact O-N 2.94Å; Q269-A271 PolarHBondContact O-N 2.93Å; A271-E273 VanDerWaalsContact C-N 3.29Å; A271-E273 PolarHBondContact O-N 2.98Å; A271-E274 HydrophobicContact CB-CB 4.02Å; A271-E274 HydrophobicContact CB-CG 4.09Å; A271-E274 PolarHBondContact O-N 3.34Å; A271-L275 PolarHBondContact O-N 2.95Å
272A87.3Confident91.5Very high55 Ų5568.5 Ų68.546%0.45535%0.352SS..Hα-helixtrans-55.8-39.9-172.600000113.3P270 L276 V291P270-A272 VanDerWaalsContact C-N 3.32Å; P270-A272 PolarHBondContact O-N 2.71Å; A272-L276 WeakPolarHBondContact O-CB 3.3Å; A272-L276 PolarHBondContact O-N 3.29Å; A272-V291 HydrophobicContact CB-CG1 4.36Å
273E88.7Confident91.5Very high178 Ų17872.1 Ų72.183%0.83237%0.369SS*.Hα-helixtrans-66.9-42.7178.9-67.3-175.317600112.5A271 L276 G277A271-E273 VanDerWaalsContact C-N 3.29Å; A271-E273 PolarHBondContact O-N 2.98Å; E273-L276 PolarHBondContact O-N 3.09Å; E273-G277 PolarHBondContact O-N 3.44Å
274E91.7Very high91.6Very high120 Ų12067 Ų6756%0.56135%0.345SS*.Hα-helixtrans-66.5-45.7177.9-66.7-176.8-165.900111.5A101 A271 L276 G277 L278A101-E274 HydrophobicContact CB-CB 3.93Å; A271-E274 HydrophobicContact CB-CB 4.02Å; A271-E274 HydrophobicContact CB-CG 4.09Å; A271-E274 PolarHBondContact O-N 3.34Å; E274-L276 VanDerWaalsContact C-N 3.31Å; E274-L276 PolarHBondContact O-N 3.49Å; E274-G277 PolarHBondContact O-N 2.89Å; E274-L278 WeakPolarHBondContact O-CG 3.29Å; E274-L278 PolarHBondContact O-N 2.85Å
275L92.3Very high91.2Very high1 Ų169.6 Ų69.61%0.00535%0.354CS..Hα-helixtrans-59.3-43.5174.7-75.9172.6000111.4A101 M102 P270 A271 G277 L278 F279 W296A101-L275 HydrophobicContact CB-CD2 3.75Å; A101-L275 HydrophobicContact CB-CG 3.76Å; A101-L275 WeakPolarHBondContact O-CD1 3.35Å; M102-L275 HydrophobicContact CG-CD2 4.21Å; P270-L275 HydrophobicContact CB-CD1 3.66Å; A271-L275 PolarHBondContact O-N 2.95Å; L275-G277 PolarHBondContact O-N 2.89Å; L275-L278 PolarHBondContact O-N 3.48Å; L275-F279 HydrophobicContact CB-CE2 4.24Å; L275-F279 HydrophobicContact CB-CZ 4.42Å; L275-F279 HydrophobicContact CD2-CE1 4.17Å; L275-F279 HydrophobicContact CD2-CE2 4.41Å; L275-F279 HydrophobicContact CD2-CZ 3.8Å; L275-F279 VanDerWaalsContact O-CB 3.31Å; L275-F279 WeakPolarHBondContact O-CB 3.36Å; L275-F279 WeakPolarHBondContact O-CD1 3.42Å; L275-F279 WeakPolarHBondContact O-CG 3.4Å; L275-F279 PolarHBondContact O-N 2.53Å; L275-W296 HydrophobicContact CD1-CE3 3.91Å; L275-W296 HydrophobicContact CD1-CH2 4.41Å; L275-W296 HydrophobicContact CD1-CZ3 3.46Å; L275-W296 VanDerWaalsContact CD1-CZ3 3.46Å; L275-W296 HydrophobicContact CD2-CH2 4.28Å; L275-W296 HydrophobicContact CD2-CZ3 4.11Å; L275-W296 HydrophobicContact CG-CZ3 4.41Å
276L89.8Confident90.6Very high39 Ų3978.3 Ų78.320%0.20439%0.387CS..Hα-helixtrans-62.2-43.6178.8-172.665.6000111.5A272 E273 E274 F279 K280 T288 V291 E292A272-L276 WeakPolarHBondContact O-CB 3.3Å; A272-L276 PolarHBondContact O-N 3.29Å; E273-L276 PolarHBondContact O-N 3.09Å; E274-L276 VanDerWaalsContact C-N 3.31Å; E274-L276 PolarHBondContact O-N 3.49Å; L276-F279 PolarHBondContact O-N 3.43Å; L276-K280 HydrophobicContact CD1-CD 4.49Å; L276-K280 HydrophobicContact CG-CD 4.25Å; L276-K280 WeakPolarHBondContact O-CB 3.38Å; L276-K280 WeakPolarHBondContact O-CG 3.14Å; L276-K280 PolarHBondContact O-N 2.84Å; L276-T288 HydrophobicContact CD1-CG2 3.65Å; L276-V291 HydrophobicContact CB-CG1 4.25Å; L276-V291 HydrophobicContact CD1-CG1 4.37Å; L276-E292 HydrophobicContact CD1-CG 3.7Å; L276-E292 HydrophobicContact CD2-CG 4.21Å
277G91.4Very high90.3Very high43 Ų4373.6 Ų73.644%0.44337%0.365SS..Hα-helixtrans-60.4-46.6175.500000112.5E273 E274 L275 K280 K281E273-G277 PolarHBondContact O-N 3.44Å; E274-G277 PolarHBondContact O-N 2.89Å; L275-G277 PolarHBondContact O-N 2.89Å; G277-K280 PolarHBondContact O-N 3.3Å; G277-K281 PolarHBondContact O-N 2.75Å
278L93.7Very high89.8Confident34 Ų3472.4 Ų72.418%0.17836%0.358CS..Hα-helixtrans-65.5-43177.9-70.5165.5000111.9A97 M98 A101 E274 L275 K280 K281 Y282A97-L278 HydrophobicContact CB-CD1 4.07Å; A97-L278 HydrophobicContact CB-CD2 4.48Å; M98-L278 HydrophobicContact CB-CD1 4.43Å; M98-L278 HydrophobicContact CE-CB 3.94Å; M98-L278 HydrophobicContact CG-CB 4.03Å; M98-L278 HydrophobicContact CG-CD1 3.73Å; M98-L278 HydrophobicContact CG-CG 4.35Å; A101-L278 HydrophobicContact CB-CD1 4.48Å; E274-L278 WeakPolarHBondContact O-CG 3.29Å; E274-L278 PolarHBondContact O-N 2.85Å; L275-L278 PolarHBondContact O-N 3.48Å; L278-K280 VanDerWaalsContact C-N 3.35Å; L278-K280 PolarHBondContact O-N 2.98Å; L278-K281 PolarHBondContact O-N 3.19Å; L278-Y282 HydrophobicContact CD2-CE2 4.31Å; L278-Y282 VanDerWaalsContact O-CD2 3.27Å; L278-Y282 WeakPolarHBondContact O-CD2 3.4Å; L278-Y282 PolarHBondContact O-N 2.89Å
279F93.6Very high89.4Confident0 Ų071.5 Ų71.50%036%0.36CS..Hα-helixtrans-68.5-33179.3-67.1-8.6000112.9L43 M98 L275 L276 E283 F284 W287 V291 W296L43-F279 HydrophobicContact CD1-CE1 3.85Å; L43-F279 HydrophobicContact CD1-CZ 4.38Å; M98-F279 HydrophobicContact CG-CE1 4.49Å; M98-F279 HydrophobicContact SD-CE1 4.44Å; L275-F279 HydrophobicContact CB-CE2 4.24Å; L275-F279 HydrophobicContact CB-CZ 4.42Å; L275-F279 HydrophobicContact CD2-CE1 4.17Å; L275-F279 HydrophobicContact CD2-CE2 4.41Å; L275-F279 HydrophobicContact CD2-CZ 3.8Å; L275-F279 VanDerWaalsContact O-CB 3.31Å; L275-F279 WeakPolarHBondContact O-CB 3.36Å; L275-F279 WeakPolarHBondContact O-CD1 3.42Å; L275-F279 WeakPolarHBondContact O-CG 3.4Å; L275-F279 PolarHBondContact O-N 2.53Å; L276-F279 PolarHBondContact O-N 3.43Å; F279-E283 CarbonylContact O-C 3.22Å; F279-E283 WeakPolarHBondContact O-CA 3.36Å; F279-E283 PolarHBondContact O-N 3.03Å; F279-F284 HydrophobicContact CB-CB 4.15Å; F279-F284 HydrophobicContact CD1-CB 4.4Å; F279-F284 AromaticContact CD1-CD2 3.63Å; F279-F284 HydrophobicContact CD1-CD2 3.63Å; F279-F284 HydrophobicContact CD1-CE2 4.46Å; F279-F284 HydrophobicContact CE1-CD2 4.07Å; F279-F284 HydrophobicContact CG-CB 4.29Å; F279-F284 HydrophobicContact CG-CD2 4.35Å; F279-F284 PolarHBondContact O-N 3.41Å; F279-W287 HydrophobicContact CD1-CE3 4.34Å; F279-W287 HydrophobicContact CD2-CB 3.55Å; F279-W287 AromaticContact CE1-CE3 3.95Å; F279-W287 HydrophobicContact CE1-CE3 3.95Å; F279-W287 HydrophobicContact CE1-CZ3 4.46Å; F279-W287 HydrophobicContact CE2-CB 3.66Å; F279-W287 HydrophobicContact CE2-CE3 4.25Å; F279-W287 HydrophobicContact CE2-CG 4.43Å; F279-W287 HydrophobicContact CG-CB 4.26Å; F279-W287 HydrophobicContact CZ-CB 4.44Å; F279-W287 AromaticContact CZ-CE3 3.9Å; F279-W287 HydrophobicContact CZ-CE3 3.9Å; F279-V291 HydrophobicContact CD2-CG2 3.92Å; F279-V291 HydrophobicContact CE2-CG2 3.73Å; F279-W296 HydrophobicContact CE1-CZ2 4.5Å; F279-W296 HydrophobicContact CE2-CD2 4.05Å; F279-W296 AromaticContact CE2-CE2 3.7Å; F279-W296 HydrophobicContact CE2-CE3 4.29Å; F279-W296 HydrophobicContact CE2-CH2 4Å; F279-W296 AromaticContact CE2-CZ2 3.7Å; F279-W296 HydrophobicContact CE2-CZ2 3.7Å; F279-W296 HydrophobicContact CE2-CZ3 4.27Å; F279-W296 HydrophobicContact CZ-CD2 4.49Å; F279-W296 AromaticContact CZ-CE2 3.87Å; F279-W296 AromaticContact CZ-CH2 3.48Å; F279-W296 HydrophobicContact CZ-CH2 3.48Å; F279-W296 VanDerWaalsContact CZ-CH2 3.48Å; F279-W296 AromaticContact CZ-CZ2 3.34Å; F279-W296 HydrophobicContact CZ-CZ2 3.34Å; F279-W296 HydrophobicContact CZ-CZ3 4.09Å
280K90.8Very high89.2Confident107 Ų10764.5 Ų64.547%0.46533%0.328SS..Hα-helixtrans-66.9-46.1170.9-75.6177.5179175.50111.1L276 G277 L278 Y282 E283 T288 E292L276-K280 HydrophobicContact CD1-CD 4.49Å; L276-K280 HydrophobicContact CG-CD 4.25Å; L276-K280 WeakPolarHBondContact O-CB 3.38Å; L276-K280 WeakPolarHBondContact O-CG 3.14Å; L276-K280 PolarHBondContact O-N 2.84Å; G277-K280 PolarHBondContact O-N 3.3Å; L278-K280 VanDerWaalsContact C-N 3.35Å; L278-K280 PolarHBondContact O-N 2.98Å; K280-Y282 PolarHBondContact O-N 2.81Å; K280-E283 PolarHBondContact O-N 3.39Å; K280-T288 HydrophobicContact CD-CG2 4.37Å; K280-T288 VanDerWaalsContact CE-CG2 3.47Å; K280-T288 HydrophobicContact CG-CG2 3.84Å; K280-E292 WeakPolarHBondContact CE-OE1 3.41Å; K280-E292 IonicContact NZ-OE1 3.84Å; K280-E292 PolarHBondContact NZ-OE1 3.22Å
281K91.8Very high88.8Confident111 Ų11163.3 Ų63.348%0.48332%0.32SS..Hα-helixtrans-58.9-44.6178.2-177.1-176.1175.3-164.30112.8N30 E34 G277 L278 E283N30-K281 PolarHBondContact ND2-O 3.19Å; N30-K281 VanDerWaalsContact ND2-O 3.1Å; E34-K281 IonicContact OE1-NZ 3.78Å; G277-K281 PolarHBondContact O-N 2.75Å; L278-K281 PolarHBondContact O-N 3.19Å; K281-E283 VanDerWaalsContact C-N 3.35Å
282Y93Very high88.4Confident10 Ų1067.1 Ų67.14%0.03933%0.331CS..THydrogen-bonded Turntrans-95.110.4-178.3-65.2-70.1000113.7E34 T36 M39 P94 M98 L278 K280 F284E34-Y282 HydrophobicContact CB-CE1 4.4Å; T36-Y282 HydrophobicContact CG2-CD1 3.84Å; T36-Y282 HydrophobicContact CG2-CG 4.41Å; M39-Y282 HydrophobicContact CE-CD1 3.57Å; M39-Y282 HydrophobicContact CE-CD2 4.29Å; M39-Y282 HydrophobicContact CE-CE1 3.78Å; M39-Y282 HydrophobicContact CE-CE2 4.47Å; M39-Y282 HydrophobicContact CE-CG 3.84Å; P94-Y282 HydrophobicContact CB-CE2 3.57Å; P94-Y282 VanDerWaalsContact CB-OH 3.29Å; P94-Y282 WeakPolarHBondContact CB-OH 3.33Å; P94-Y282 HydrophobicContact CG-CE2 4.28Å; P94-Y282 WeakPolarHBondContact CG-OH 3.36Å; M98-Y282 HydrophobicContact CE-CD2 3.16Å; M98-Y282 HydrophobicContact CE-CE2 3.77Å; M98-Y282 HydrophobicContact CE-CG 3.93Å; L278-Y282 HydrophobicContact CD2-CE2 4.31Å; L278-Y282 VanDerWaalsContact O-CD2 3.27Å; L278-Y282 WeakPolarHBondContact O-CD2 3.4Å; L278-Y282 PolarHBondContact O-N 2.89Å; K280-Y282 PolarHBondContact O-N 2.81Å; Y282-F284 VanDerWaalsContact C-N 3.31Å; Y282-F284 WeakPolarHBondContact O-CD1 3.31Å; Y282-F284 PolarHBondContact O-N 3.07Å
283E91.5Very high88Confident79 Ų7967 Ų6737%0.36933%0.331SS..THydrogen-bonded Turntrans57.834.8173-56.6-176.6153.400115.2N30 S31 F279 K280 K281 K285N30-E283 WeakPolarHBondContact CA-OE2 3.4Å; N30-E283 HydrophobicContact CB-CB 4.4Å; N30-E283 HydrophobicContact CB-CG 4.07Å; S31-E283 WeakPolarHBondContact CB-OE1 3.35Å; S31-E283 PolarHBondContact N-OE2 3.26Å; S31-E283 PolarHBondContact OG-OE1 3.36Å; F279-E283 CarbonylContact O-C 3.22Å; F279-E283 WeakPolarHBondContact O-CA 3.36Å; F279-E283 PolarHBondContact O-N 3.03Å; K280-E283 PolarHBondContact O-N 3.39Å; K281-E283 VanDerWaalsContact C-N 3.35Å; E283-K285 PolarHBondContact O-N 3.1Å
284F90.7Very high87.3Confident13 Ų1360.7 Ų60.76%0.05731%0.314CS..  trans-77.265.1171.6-59-26.2000110.7T36 M39 Y40 L43 M98 F279 Y282 R286 W287 T288T36-F284 HydrophobicContact CG2-CE1 4.41Å; M39-F284 HydrophobicContact CB-CZ 4.32Å; Y40-F284 AromaticContact CD2-CD1 3.8Å; Y40-F284 HydrophobicContact CD2-CD1 3.8Å; Y40-F284 AromaticContact CD2-CE1 3.89Å; Y40-F284 HydrophobicContact CD2-CE1 3.89Å; Y40-F284 HydrophobicContact CD2-CG 4.19Å; Y40-F284 HydrophobicContact CD2-CZ 4.37Å; Y40-F284 HydrophobicContact CG-CE1 4.39Å; L43-F284 HydrophobicContact CD1-CE2 4.28Å; M98-F284 HydrophobicContact CE-CD2 4.48Å; M98-F284 HydrophobicContact CE-CE2 3.84Å; M98-F284 HydrophobicContact SD-CE2 4.11Å; F279-F284 HydrophobicContact CB-CB 4.15Å; F279-F284 HydrophobicContact CD1-CB 4.4Å; F279-F284 AromaticContact CD1-CD2 3.63Å; F279-F284 HydrophobicContact CD1-CD2 3.63Å; F279-F284 HydrophobicContact CD1-CE2 4.46Å; F279-F284 HydrophobicContact CE1-CD2 4.07Å; F279-F284 HydrophobicContact CG-CB 4.29Å; F279-F284 HydrophobicContact CG-CD2 4.35Å; F279-F284 PolarHBondContact O-N 3.41Å; Y282-F284 VanDerWaalsContact C-N 3.31Å; Y282-F284 WeakPolarHBondContact O-CD1 3.31Å; Y282-F284 PolarHBondContact O-N 3.07Å; F284-R286 VanDerWaalsContact C-N 3.33Å; F284-R286 PolarHBondContact O-N 3.19Å; F284-W287 HydrophobicContact CB-CB 4.32Å; F284-W287 HydrophobicContact CB-CD2 4.37Å; F284-W287 HydrophobicContact CB-CE3 3.8Å; F284-W287 HydrophobicContact CB-CZ3 4.49Å; F284-W287 AromaticContact CD2-CE3 3.6Å; F284-W287 HydrophobicContact CD2-CE3 3.6Å; F284-W287 AromaticContact CD2-CZ3 3.63Å; F284-W287 HydrophobicContact CD2-CZ3 3.63Å; F284-W287 HydrophobicContact CE2-CE3 4.41Å; F284-W287 AromaticContact CE2-CZ3 3.99Å; F284-W287 HydrophobicContact CE2-CZ3 3.99Å; F284-W287 AromaticContact CG-CE3 3.88Å; F284-W287 HydrophobicContact CG-CE3 3.88Å; F284-W287 HydrophobicContact CG-CZ3 4.09Å; F284-W287 PolarHBondContact O-N 3.09Å; F284-T288 PolarHBondContact O-N 3.42Å; F284-T288 PolarHBondContact O-OG1 3.37Å; F284-T288 VanDerWaalsContact O-OG1 3.08Å
285K84.2Confident86.6Confident162 Ų16260.5 Ų60.570%0.70431%0.311SS*.Hα-helixtrans-50.5-46.6-170.6-66.3178.4-176.8174.30113.2E283 W287 T288 V289E283-K285 PolarHBondContact O-N 3.1Å; K285-W287 VanDerWaalsContact C-N 3.33Å; K285-W287 PolarHBondContact O-N 2.79Å; K285-T288 WeakPolarHBondContact O-CB 3.43Å; K285-T288 PolarHBondContact O-N 2.85Å; K285-V289 PolarHBondContact O-N 2.92Å; K285-V289 VanDerWaalsContact O-N 3.1Å
286R82.6Confident85.7Confident184 Ų18460.9 Ų60.969%0.69431%0.312SS*.Hα-helixtrans-61.4-40.4178.8-175.9175.4176.6171.80.6112.5F284 D290F284-R286 VanDerWaalsContact C-N 3.33Å; F284-R286 PolarHBondContact O-N 3.19Å; R286-D290 PolarHBondContact O-N 2.91Å
287W88.3Confident84.9Confident2 Ų261.8 Ų61.81%0.00832%0.317CS..Hα-helixtrans-77.5-28.6178.4-64.1-17.5000112.9Y40 L43 N44 F279 F284 K285 V289 D290 V291 W296Y40-W287 HydrophobicContact CD1-CH2 4.42Å; Y40-W287 HydrophobicContact CD2-CE3 4.19Å; Y40-W287 AromaticContact CD2-CH2 3.27Å; Y40-W287 HydrophobicContact CD2-CH2 3.27Å; Y40-W287 AromaticContact CD2-CZ2 3.71Å; Y40-W287 HydrophobicContact CD2-CZ2 3.71Å; Y40-W287 AromaticContact CD2-CZ3 3.53Å; Y40-W287 HydrophobicContact CD2-CZ3 3.53Å; Y40-W287 HydrophobicContact CE1-CZ2 4.41Å; Y40-W287 HydrophobicContact CE2-CD2 4.14Å; Y40-W287 AromaticContact CE2-CE2 3.71Å; Y40-W287 HydrophobicContact CE2-CE3 4.23Å; Y40-W287 AromaticContact CE2-CH2 3.48Å; Y40-W287 HydrophobicContact CE2-CH2 3.48Å; Y40-W287 VanDerWaalsContact CE2-CH2 3.48Å; Y40-W287 AromaticContact CE2-CZ2 3.37Å; Y40-W287 HydrophobicContact CE2-CZ2 3.37Å; Y40-W287 AromaticContact CE2-CZ3 3.91Å; Y40-W287 HydrophobicContact CE2-CZ3 3.91Å; Y40-W287 AromaticContact CG-CH2 3.78Å; Y40-W287 HydrophobicContact CG-CH2 3.78Å; Y40-W287 HydrophobicContact CG-CZ2 4.34Å; Y40-W287 HydrophobicContact CG-CZ3 4.3Å; Y40-W287 AromaticContact CZ-CZ2 3.77Å; Y40-W287 WeakPolarHBondContact O-CH2 3.41Å; L43-W287 HydrophobicContact CB-CH2 3.66Å; L43-W287 HydrophobicContact CB-CZ3 3.82Å; L43-W287 HydrophobicContact CD1-CE3 4.35Å; L43-W287 HydrophobicContact CD1-CH2 4.26Å; L43-W287 HydrophobicContact CD1-CZ3 3.57Å; L43-W287 HydrophobicContact CG-CZ3 4.37Å; N44-W287 WeakPolarHBondContact OD1-CZ2 3.46Å; F279-W287 HydrophobicContact CD1-CE3 4.34Å; F279-W287 HydrophobicContact CD2-CB 3.55Å; F279-W287 AromaticContact CE1-CE3 3.95Å; F279-W287 HydrophobicContact CE1-CE3 3.95Å; F279-W287 HydrophobicContact CE1-CZ3 4.46Å; F279-W287 HydrophobicContact CE2-CB 3.66Å; F279-W287 HydrophobicContact CE2-CE3 4.25Å; F279-W287 HydrophobicContact CE2-CG 4.43Å; F279-W287 HydrophobicContact CG-CB 4.26Å; F279-W287 HydrophobicContact CZ-CB 4.44Å; F279-W287 AromaticContact CZ-CE3 3.9Å; F279-W287 HydrophobicContact CZ-CE3 3.9Å; F284-W287 HydrophobicContact CB-CB 4.32Å; F284-W287 HydrophobicContact CB-CD2 4.37Å; F284-W287 HydrophobicContact CB-CE3 3.8Å; F284-W287 HydrophobicContact CB-CZ3 4.49Å; F284-W287 AromaticContact CD2-CE3 3.6Å; F284-W287 HydrophobicContact CD2-CE3 3.6Å; F284-W287 AromaticContact CD2-CZ3 3.63Å; F284-W287 HydrophobicContact CD2-CZ3 3.63Å; F284-W287 HydrophobicContact CE2-CE3 4.41Å; F284-W287 AromaticContact CE2-CZ3 3.99Å; F284-W287 HydrophobicContact CE2-CZ3 3.99Å; F284-W287 AromaticContact CG-CE3 3.88Å; F284-W287 HydrophobicContact CG-CE3 3.88Å; F284-W287 HydrophobicContact CG-CZ3 4.09Å; F284-W287 PolarHBondContact O-N 3.09Å; K285-W287 VanDerWaalsContact C-N 3.33Å; K285-W287 PolarHBondContact O-N 2.79Å; W287-V289 VanDerWaalsContact C-N 3.33Å; W287-D290 PolarHBondContact O-N 3.47Å; W287-V291 WeakPolarHBondContact O-CB 3.24Å; W287-V291 VanDerWaalsContact O-CG2 3.23Å; W287-V291 WeakPolarHBondContact O-CG2 3.44Å; W287-V291 PolarHBondContact O-N 2.8Å; W287-W296 AromaticContact CD1-CD1 3.64Å; W287-W296 AromaticContact CD1-NE1 3.2Å; W287-W296 HydrophobicContact CD2-CZ2 4.32Å; W287-W296 AromaticContact CD2-NE1 3.55Å; W287-W296 AromaticContact CE2-NE1 3.85Å; W287-W296 HydrophobicContact CE3-CZ2 4.35Å; W287-W296 AromaticContact CG-CD1 3.78Å; W287-W296 AromaticContact CG-NE1 3.12Å; W287-W296 AromaticContact NE1-NE1 3.64Å
288T84.5Confident83.6Confident15 Ų1565.6 Ų65.69%0.09232%0.323CS..Hα-helixtrans-56.6-50.9169.4-56.30000109.7L276 K280 F284 K285 V291 E292L276-T288 HydrophobicContact CD1-CG2 3.65Å; K280-T288 HydrophobicContact CD-CG2 4.37Å; K280-T288 VanDerWaalsContact CE-CG2 3.47Å; K280-T288 HydrophobicContact CG-CG2 3.84Å; F284-T288 PolarHBondContact O-N 3.42Å; F284-T288 PolarHBondContact O-OG1 3.37Å; F284-T288 VanDerWaalsContact O-OG1 3.08Å; K285-T288 WeakPolarHBondContact O-CB 3.43Å; K285-T288 PolarHBondContact O-N 2.85Å; T288-V291 PolarHBondContact O-N 3.3Å; T288-E292 WeakPolarHBondContact O-CB 3.25Å; T288-E292 WeakPolarHBondContact O-CG 3.42Å; T288-E292 PolarHBondContact O-N 2.74Å
289V82.1Confident81.3Confident90 Ų9068 Ų6855%0.54535%0.348SS..Hα-helixtrans-62.7-44.2175.9176.90000111.9K285 W287 V291 E292 A293K285-V289 PolarHBondContact O-N 2.92Å; K285-V289 VanDerWaalsContact O-N 3.1Å; W287-V289 VanDerWaalsContact C-N 3.33Å; V289-V291 VanDerWaalsContact C-N 3.34Å; V289-V291 PolarHBondContact O-N 3.29Å; V289-E292 PolarHBondContact O-N 2.95Å; V289-A293 VanDerWaalsContact O-CB 3.3Å; V289-A293 WeakPolarHBondContact O-CB 3.37Å; V289-A293 PolarHBondContact O-N 3.27Å
290D83.5Confident78.7Confident33 Ų3377.1 Ų77.118%0.17639%0.388CS..Hα-helixtrans-62.7-38.6178.8-77.7-11.5000112.3R47 R286 W287 G294 K295 W296R47-D290 IonicContact CZ-OD2 2.75Å; R47-D290 IonicContact NH1-OD2 3.34Å; R47-D290 PolarHBondContact NH1-OD2 3.05Å; R47-D290 IonicContact NH2-OD2 2.74Å; R47-D290 PolarHBondContact NH2-OD2 2.73Å; R286-D290 PolarHBondContact O-N 2.91Å; W287-D290 PolarHBondContact O-N 3.47Å; D290-G294 PolarHBondContact O-N 3.19Å; D290-K295 PolarHBondContact O-N 2.88Å; D290-W296 HydrophobicContact CB-CB 3.82Å; D290-W296 HydrophobicContact CB-CG 4.13Å; D290-W296 PolarHBondContact O-N 3.12Å; D290-W296 VanDerWaalsContact O-N 3.11Å
291V83.2Confident76Confident19 Ų1975.5 Ų75.512%0.11540%0.402CS..Hα-helixtrans-71.4-45.2178.11710000110.3A272 L276 F279 W287 T288 V289 A293 G294 W296A272-V291 HydrophobicContact CB-CG1 4.36Å; L276-V291 HydrophobicContact CB-CG1 4.25Å; L276-V291 HydrophobicContact CD1-CG1 4.37Å; F279-V291 HydrophobicContact CD2-CG2 3.92Å; F279-V291 HydrophobicContact CE2-CG2 3.73Å; W287-V291 WeakPolarHBondContact O-CB 3.24Å; W287-V291 VanDerWaalsContact O-CG2 3.23Å; W287-V291 WeakPolarHBondContact O-CG2 3.44Å; W287-V291 PolarHBondContact O-N 2.8Å; T288-V291 PolarHBondContact O-N 3.3Å; V289-V291 VanDerWaalsContact C-N 3.34Å; V289-V291 PolarHBondContact O-N 3.29Å; V291-A293 PolarHBondContact O-N 3.47Å; V291-G294 PolarHBondContact O-N 3.26Å; V291-W296 HydrophobicContact CG2-CB 3.7Å; V291-W296 HydrophobicContact CG2-CD2 3.93Å; V291-W296 HydrophobicContact CG2-CE3 4.1Å; V291-W296 HydrophobicContact CG2-CG 3.76Å
292E81.4Confident73Confident114 Ų11474.7 Ų74.753%0.53342%0.416SS..Hα-helixtrans-59.7-35.9175.3-74.1174.9169.800111.9L276 K280 T288 V289 G294L276-E292 HydrophobicContact CD1-CG 3.7Å; L276-E292 HydrophobicContact CD2-CG 4.21Å; K280-E292 WeakPolarHBondContact CE-OE1 3.41Å; K280-E292 IonicContact NZ-OE1 3.84Å; K280-E292 PolarHBondContact NZ-OE1 3.22Å; T288-E292 WeakPolarHBondContact O-CB 3.25Å; T288-E292 WeakPolarHBondContact O-CG 3.42Å; T288-E292 PolarHBondContact O-N 2.74Å; V289-E292 PolarHBondContact O-N 2.95Å; E292-G294 VanDerWaalsContact C-N 3.28Å; E292-G294 PolarHBondContact O-N 3.17Å
293A79.7Confident70Confident53 Ų5383.4 Ų83.444%0.43845%0.454SS..THydrogen-bonded Turntrans-80.4-2.7175.200000114.3V289 V291 K295V289-A293 VanDerWaalsContact O-CB 3.3Å; V289-A293 WeakPolarHBondContact O-CB 3.37Å; V289-A293 PolarHBondContact O-N 3.27Å; V291-A293 PolarHBondContact O-N 3.47Å; A293-K295 HydrophobicContact CB-CB 4.43Å; A293-K295 HydrophobicContact CB-CD 4.06Å; A293-K295 HydrophobicContact CB-CG 4.24Å; A293-K295 PolarHBondContact O-N 3.15Å
294G73.8Confident67.1Low46 Ų4684.9 Ų84.947%0.47447%0.47SS..THydrogen-bonded Turntrans66.418.1-17500000114.6D290 V291 E292 Q298D290-G294 PolarHBondContact O-N 3.19Å; V291-G294 PolarHBondContact O-N 3.26Å; E292-G294 VanDerWaalsContact C-N 3.28Å; E292-G294 PolarHBondContact O-N 3.17Å; G294-Q298 PolarHBondContact O-NE2 2.9Å
295K77Confident64.4Low115 Ų11589.2 Ų89.250%0.551%0.509SS..  trans-105.1-3.6-171.8-72.6174-173171.60114.3D290 A293 L297 Q298D290-K295 PolarHBondContact O-N 2.88Å; A293-K295 HydrophobicContact CB-CB 4.43Å; A293-K295 HydrophobicContact CB-CD 4.06Å; A293-K295 HydrophobicContact CB-CG 4.24Å; A293-K295 PolarHBondContact O-N 3.15Å; K295-L297 PolarHBondContact O-N 3.4Å; K295-Q298 PolarHBondContact O-N 2.99Å
296W73.4Confident61.8Low9 Ų985.9 Ų85.93%0.03451%0.511CS..THydrogen-bonded Turntrans-60.2-41.2-171.1-16859.1000113.9R47 M102 L275 F279 W287 D290 V291R47-W296 PolarHBondContact NE-O 2.95Å; R47-W296 PolarHBondContact NH2-O 3.4Å; M102-W296 HydrophobicContact CE-CH2 4.18Å; M102-W296 HydrophobicContact CG-CH2 3.72Å; M102-W296 HydrophobicContact CG-CZ3 3.85Å; M102-W296 HydrophobicContact SD-CH2 4.02Å; L275-W296 HydrophobicContact CD1-CE3 3.91Å; L275-W296 HydrophobicContact CD1-CH2 4.41Å; L275-W296 HydrophobicContact CD1-CZ3 3.46Å; L275-W296 VanDerWaalsContact CD1-CZ3 3.46Å; L275-W296 HydrophobicContact CD2-CH2 4.28Å; L275-W296 HydrophobicContact CD2-CZ3 4.11Å; L275-W296 HydrophobicContact CG-CZ3 4.41Å; F279-W296 HydrophobicContact CE1-CZ2 4.5Å; F279-W296 HydrophobicContact CE2-CD2 4.05Å; F279-W296 AromaticContact CE2-CE2 3.7Å; F279-W296 HydrophobicContact CE2-CE3 4.29Å; F279-W296 HydrophobicContact CE2-CH2 4Å; F279-W296 AromaticContact CE2-CZ2 3.7Å; F279-W296 HydrophobicContact CE2-CZ2 3.7Å; F279-W296 HydrophobicContact CE2-CZ3 4.27Å; F279-W296 HydrophobicContact CZ-CD2 4.49Å; F279-W296 AromaticContact CZ-CE2 3.87Å; F279-W296 AromaticContact CZ-CH2 3.48Å; F279-W296 HydrophobicContact CZ-CH2 3.48Å; F279-W296 VanDerWaalsContact CZ-CH2 3.48Å; F279-W296 AromaticContact CZ-CZ2 3.34Å; F279-W296 HydrophobicContact CZ-CZ2 3.34Å; F279-W296 HydrophobicContact CZ-CZ3 4.09Å; W287-W296 AromaticContact CD1-CD1 3.64Å; W287-W296 AromaticContact CD1-NE1 3.2Å; W287-W296 HydrophobicContact CD2-CZ2 4.32Å; W287-W296 AromaticContact CD2-NE1 3.55Å; W287-W296 AromaticContact CE2-NE1 3.85Å; W287-W296 HydrophobicContact CE3-CZ2 4.35Å; W287-W296 AromaticContact CG-CD1 3.78Å; W287-W296 AromaticContact CG-NE1 3.12Å; W287-W296 AromaticContact NE1-NE1 3.64Å; D290-W296 HydrophobicContact CB-CB 3.82Å; D290-W296 HydrophobicContact CB-CG 4.13Å; D290-W296 PolarHBondContact O-N 3.12Å; D290-W296 VanDerWaalsContact O-N 3.11Å; V291-W296 HydrophobicContact CG2-CB 3.7Å; V291-W296 HydrophobicContact CG2-CD2 3.93Å; V291-W296 HydrophobicContact CG2-CE3 4.1Å; V291-W296 HydrophobicContact CG2-CG 3.76Å
297L73.9Confident59.2Low59 Ų5986.5 Ų86.531%0.30952%0.519SS..THydrogen-bonded Turntrans-96.415.4171.5-75175.8000114.5R47 M51 P270 K295R47-L297 HydrophobicContact CG-CD2 4.15Å; M51-L297 HydrophobicContact CG-CD2 4.41Å; P270-L297 HydrophobicContact CG-CD1 3.33Å; P270-L297 HydrophobicContact CG-CG 4.47Å; K295-L297 PolarHBondContact O-N 3.4Å
298Q63.4Low56.4Low122 Ų12288.6 Ų88.657%0.5753%0.533SS*.SBendtrans-92139178.4-63.3-169.49.500112.3M51 G294 K295 K300M51-Q298 WeakPolarHBondContact CE-O 3.44Å; G294-Q298 PolarHBondContact O-NE2 2.9Å; K295-Q298 PolarHBondContact O-N 2.99Å; Q298-K300 PolarHBondContact O-N 2.68Å; Q298-K300 VanDerWaalsContact O-N 3.11Å
299A44.8Very low53.7Low86 Ų8696.3 Ų96.371%0.71157%0.568SS**  trans-65.1107.1-177.300000112.7M51M51-A299 VanDerWaalsContact CE-CA 3.46Å; M51-A299 HydrophobicContact CE-CB 4.3Å
300K39.6Very low51.2Low190 Ų19099.6 Ų99.683%0.82658%0.577SS**SBendtrans-105.2128142.6-75.3-171.6175.6-175.90106.9Q298Q298-K300 PolarHBondContact O-N 2.68Å; Q298-K300 VanDerWaalsContact O-N 3.11Å
301G34.4Very low48.4Very low74 Ų74102.9 Ų102.976%0.76360%0.599SS**  trans-32.5129.8-163.400000116.9K303G301-K303 PolarHBondContact O-N 3.29Å; G301-K303 VanDerWaalsContact O-N 3.09Å
302A28.9Very low46Very low94 Ų94105.8 Ų105.878%0.77762%0.62SS**  trans-61.5106.1176.400000111.1
303K28.5Very low43.5Very low193 Ų193104.9 Ų104.984%0.83962%0.622SS**  trans-113.6139.7157-86-175.2176.3179.40108.2G301G301-K303 PolarHBondContact O-N 3.29Å; G301-K303 VanDerWaalsContact O-N 3.09Å
304P32.1Very low41.2Very low110 Ų110106.4 Ų106.471%0.71463%0.634SS**  trans-58.9151.7177.68.6-11.3000112.1A306P304-A306 PolarHBondContact O-N 3.4Å
305A34.3Very low39.1Very low104 Ų104110.5 Ų110.586%0.8665%0.645SS**  trans-38112.7-169.800000114.1
306A28.7Very low36.8Very low92 Ų92114.8 Ų114.876%0.7667%0.667SS**PPolyproline II helixtrans-66.7136.3157.700000108P304P304-A306 PolarHBondContact O-N 3.4Å
307K27.2Very low35.2Very low196 Ų196117.8 Ų117.885%0.85269%0.694SS**PPolyproline II helixtrans-47.3131.4168.3-74.2178.3176.3179.80108.1Q309K307-Q309 PolarHBondContact O-N 2.92Å
308P29.8Very low33.4Very low46 Ų46120.3 Ų120.330%0.29971%0.714SS.*PPolyproline II helixtrans-57.9131.2172.3-15.528.2000108.1F25 E310F25-P308 HydrophobicContact CD1-CG 3.57Å; F25-P308 HydrophobicContact CE1-CB 4.5Å; F25-P308 HydrophobicContact CE1-CG 3.27Å; F25-P308 HydrophobicContact CZ-CG 4.29Å; P308-E310 PolarHBondContact O-N 3.41Å
309Q29Very low32.2Very low177 Ų177123.5 Ų123.583%0.82773%0.729SS**PPolyproline II helixtrans-53.2129.3158-94.3170.6-55.900107K307 T311K307-Q309 PolarHBondContact O-N 2.92Å; Q309-T311 PolarHBondContact O-N 2.92Å
310E28.2Very low32.6Very low160 Ų160121.4 Ų121.475%0.74871%0.707SS**  trans-50.5108.5177.9-69.6171.1169.800108.7P308 S312P308-E310 PolarHBondContact O-N 3.41Å; E310-S312 PolarHBondContact O-N 3.45Å; E310-S312 VanDerWaalsContact O-N 3.09Å
311T26.1Very low33.3Very low102 Ų102118 Ų11863%0.62670%0.702SS**  trans-77.491.1157.62.80000103.7L28 Q309L28-T311 WeakPolarHBondContact CD2-OG1 3.45Å; Q309-T311 PolarHBondContact O-N 2.92Å
312S31.7Very low34.6Very low79 Ų79117.6 Ų117.655%0.55269%0.691SS**  trans-55.1140.217446.60000108.8E310 A314E310-S312 PolarHBondContact O-N 3.45Å; E310-S312 VanDerWaalsContact O-N 3.09Å; S312-A314 VanDerWaalsContact C-N 3.25Å; S312-A314 PolarHBondContact O-N 3.37Å
313V28.3Very low36.8Very low96 Ų96114.9 Ų114.958%0.58267%0.666SS**  trans-59.798.3164.8-175.40000105.4D315V313-D315 VanDerWaalsContact C-N 3.34Å; V313-D315 PolarHBondContact O-N 2.87Å; V313-D315 VanDerWaalsContact O-N 3.08Å
314A31.7Very low38.9Very low84 Ų84112.2 Ų112.269%0.69467%0.665SS**  trans-68.6102.5164.300000105.2S312 E316S312-A314 VanDerWaalsContact C-N 3.25Å; S312-A314 PolarHBondContact O-N 3.37Å; A314-E316 PolarHBondContact O-N 3.15Å
315D30.6Very low41.3Very low133 Ų133107.7 Ų107.771%0.71164%0.635SS**  trans-46.6139.8149.3-80.2-39.4000106.9V313 A317V313-D315 VanDerWaalsContact C-N 3.34Å; V313-D315 PolarHBondContact O-N 2.87Å; V313-D315 VanDerWaalsContact O-N 3.08Å; D315-A317 PolarHBondContact O-N 2.93Å
316E28.2Very low43.7Very low205 Ų205104.6 Ų104.696%0.95861%0.606SS**  trans-47.880.4-178.7-76.2-178.6142.300111.9A314A314-E316 PolarHBondContact O-N 3.15Å
317A39Very low46.5Very low71 Ų71103.2 Ų103.259%0.58758%0.582SS**  trans-81.1132.9165.300000105.4D315 E319D315-A317 PolarHBondContact O-N 2.93Å; A317-E319 PolarHBondContact O-N 3.37Å
318P37.6Very low49.4Very low113 Ų113100.6 Ų100.673%0.73458%0.578SS**  trans-52.5141.9-176.719.7-30.6000110.2V320P318-V320 VanDerWaalsContact C-N 3.34Å; P318-V320 WeakPolarHBondContact O-CG2 3.06Å; P318-V320 PolarHBondContact O-N 3.33Å
319E38.2Very low52.5Low189 Ų189103 Ų10388%0.88359%0.588SS**  trans-47.795.8178.5-83.3-173.9142.100110.7A317 T321A317-E319 PolarHBondContact O-N 3.37Å; E319-T321 PolarHBondContact O-N 2.91Å; E319-T321 VanDerWaalsContact O-N 3.14Å
320V52.2Low55.7Low42 Ų4296.2 Ų96.226%0.25556%0.555SS.*  trans-71.8113.3176.7-1740000106.7P318 W465 K467P318-V320 VanDerWaalsContact C-N 3.34Å; P318-V320 WeakPolarHBondContact O-CG2 3.06Å; P318-V320 PolarHBondContact O-N 3.33Å; V320-W465 VanDerWaalsContact CG1-O 3.32Å; V320-W465 WeakPolarHBondContact CG1-O 3.25Å; V320-K467 VanDerWaalsContact O-CD 3.28Å; V320-K467 WeakPolarHBondContact O-CD 3.04Å; V320-K467 WeakPolarHBondContact O-CE 3.3Å; V320-K467 PolarHBondContact O-NZ 3.1Å
321T53.7Low59Low117 Ų11791 Ų9172%0.71853%0.533SS*.PPolyproline II helixtrans-62.8137.6172.2470000109.4E319 T323E319-T321 PolarHBondContact O-N 2.91Å; E319-T321 VanDerWaalsContact O-N 3.14Å; T321-T323 PolarHBondContact O-N 3.31Å
322A63.2Low62.4Low66 Ų6688.7 Ų88.755%0.54552%0.519SS..PPolyproline II helixtrans-59128.8177.900000110K467A322-K467 HydrophobicContact CB-CB 4.07Å
323T74.6Confident65.6Low38 Ų3885 Ų8523%0.23349%0.493CS..PPolyproline II helixtrans-80.3128.4175.5-48.30000108.7T321 I325 L466 K511T321-T323 PolarHBondContact O-N 3.31Å; T323-I325 PolarHBondContact O-N 3.06Å; T323-L466 PolarHBondContact N-O 3.38Å; T323-K511 WeakPolarHBondContact OG1-CE 3.24Å; T323-K511 PolarHBondContact OG1-NZ 3.46Å
324V73.6Confident68.9Low136 Ų13683.5 Ų83.582%0.82448%0.482SS*.  trans-84.7108.6171.4-179.80000107.6
325I81.2Confident72Confident16 Ų1682.8 Ų82.88%0.08247%0.467CS..  trans-85.5121.6173.3-58-165.8000108.2T323 L466 H468 V504T323-I325 PolarHBondContact O-N 3.06Å; I325-L466 HydrophobicContact CD1-CD1 4.34Å; I325-H468 HydrophobicContact CD1-CB 4.15Å; I325-H468 VanDerWaalsContact CD1-CD2 3.46Å; I325-H468 WeakPolarHBondContact CD1-CD2 3.41Å; I325-V504 HydrophobicContact CD1-CG2 3.56Å
326S85.7Confident75.2Confident38 Ų3879.3 Ų79.327%0.26645%0.446SS..  trans-103135.9175.6175.30000110.1D328 Y330S326-D328 WeakPolarHBondContact OG-CB 3.38Å; S326-D328 PolarHBondContact OG-N 2.64Å; S326-D328 VanDerWaalsContact OG-N 3.14Å; S326-D328 PolarHBondContact OG-OD2 2.74Å; S326-Y330 WeakPolarHBondContact O-CE1 3.3Å
327Y87.7Confident78.6Confident64 Ų6477.2 Ų77.225%0.25144%0.436SS..  trans-90.9-2.4176-51-80.1000112.4N329 Y330 I471 R496 E500Y327-N329 PolarHBondContact O-N 2.78Å; Y327-Y330 AromaticContact CD1-CD2 3.94Å; Y327-Y330 HydrophobicContact CD1-CD2 3.94Å; Y327-Y330 AromaticContact CD1-CE2 3.47Å; Y327-Y330 HydrophobicContact CD1-CE2 3.47Å; Y327-Y330 VanDerWaalsContact CD1-CE2 3.47Å; Y327-Y330 HydrophobicContact CE1-CE2 4.15Å; Y327-Y330 HydrophobicContact CG-CE2 4.43Å; Y327-Y330 WeakPolarHBondContact O-CB 3.41Å; Y327-Y330 PolarHBondContact O-N 2.56Å; Y327-Y330 VanDerWaalsContact O-N 3.11Å; Y327-I471 HydrophobicContact CE1-CD1 4.49Å; Y327-R496 HydrophobicContact CD1-CG 3.99Å; Y327-R496 VanDerWaalsContact CD2-NH2 3.27Å; Y327-R496 HydrophobicContact CE1-CG 4.39Å; Y327-E500 HydrophobicContact CE1-CB 4.36Å; Y327-E500 HydrophobicContact CE1-CG 4.22Å; Y327-E500 VanDerWaalsContact CE1-OE1 3.27Å; Y327-E500 WeakPolarHBondContact CE1-OE1 3.35Å; Y327-E500 PolarHBondContact OH-OE1 3.29Å
328D87.1Confident81.4Confident141 Ų14176 Ų7675%0.75442%0.421SS*.THydrogen-bonded Turntrans-63.6-27.7-165.9-65.5-31.7000113.5S326S326-D328 WeakPolarHBondContact OG-CB 3.38Å; S326-D328 PolarHBondContact OG-N 2.64Å; S326-D328 VanDerWaalsContact OG-N 3.14Å; S326-D328 PolarHBondContact OG-OD2 2.74Å
329N94.3Very high84.3Confident95 Ų9570.6 Ų70.651%0.50839%0.387SS..THydrogen-bonded Turntrans-108.923.7179.3-47.8-68000112.8Y327 G378 V379Y327-N329 PolarHBondContact O-N 2.78Å; N329-G378 WeakPolarHBondContact CB-O 3.49Å; N329-V379 HydrophobicContact CB-CG2 4.25Å
330Y97.2Very high87.1Confident35 Ų3566.4 Ų66.414%0.13737%0.365CS..  trans-79.8134.8171.7-71.711.3000110S326 Y327 A380 A499 E500 D503S326-Y330 WeakPolarHBondContact O-CE1 3.3Å; Y327-Y330 AromaticContact CD1-CD2 3.94Å; Y327-Y330 HydrophobicContact CD1-CD2 3.94Å; Y327-Y330 AromaticContact CD1-CE2 3.47Å; Y327-Y330 HydrophobicContact CD1-CE2 3.47Å; Y327-Y330 VanDerWaalsContact CD1-CE2 3.47Å; Y327-Y330 HydrophobicContact CE1-CE2 4.15Å; Y327-Y330 HydrophobicContact CG-CE2 4.43Å; Y327-Y330 WeakPolarHBondContact O-CB 3.41Å; Y327-Y330 PolarHBondContact O-N 2.56Å; Y327-Y330 VanDerWaalsContact O-N 3.11Å; Y330-A380 WeakPolarHBondContact CA-O 3Å; Y330-A380 HydrophobicContact CD1-CB 3.91Å; Y330-A380 HydrophobicContact CE1-CB 3.88Å; Y330-A499 HydrophobicContact CD2-CB 3.44Å; Y330-A499 VanDerWaalsContact CD2-CB 3.44Å; Y330-A499 HydrophobicContact CE2-CB 3.86Å; Y330-A499 HydrophobicContact CG-CB 3.81Å; Y330-E500 HydrophobicContact CE2-CB 3.98Å; Y330-D503 HydrophobicContact CE1-CB 4.22Å; Y330-D503 VanDerWaalsContact OH-CB 3.32Å; Y330-D503 WeakPolarHBondContact OH-CB 3.35Å; Y330-D503 PolarHBondContact OH-OD2 3.42Å
331V97.3Very high89.3Confident50 Ų5066.9 Ų66.930%0.30337%0.374SS..EExtended strand (participates in β ladder)trans-125.2118.9-177.2-175.80000110.6I333 T338 W342 A380 A381 Y382V331-I333 HydrophobicContact CG1-CG1 4.04Å; V331-T338 HydrophobicContact CG1-CG2 4.18Å; V331-W342 HydrophobicContact CB-CZ2 4.32Å; V331-W342 HydrophobicContact CG2-CZ2 4.17Å; V331-A380 PolarHBondContact N-O 2.95Å; V331-A381 HydrophobicContact CB-CB 4.41Å; V331-A381 CarbonylContact O-C 3.53Å; V331-A381 WeakPolarHBondContact O-CA 3.13Å; V331-A381 WeakPolarHBondContact O-CB 3.21Å; V331-Y382 PolarHBondContact O-N 2.64Å
332T98Very high91.4Very high54 Ų5461.8 Ų61.833%0.33134%0.341SS..EExtended strand (participates in β ladder)trans-83.8116.3163.9-550000108.8L334 Y382 P384T332-L334 HydrophobicContact CG2-CD2 4.07Å; T332-L334 HydrophobicContact CG2-CG 4.42Å; T332-Y382 CarbonylContact C-O 3.59Å; T332-Y382 WeakPolarHBondContact CA-O 3.5Å; T332-Y382 HydrophobicContact CG2-CD1 4.37Å; T332-P384 HydrophobicContact CG2-CG 4.04Å
333I98Very high93.1Very high1 Ų159.5 Ų59.51%0.00532%0.32CS..  trans-93.3108.8-173.1-57.7-177.2000109.8V331 T338 L339 W342 A381 Y382 I383 P384 I396V331-I333 HydrophobicContact CG1-CG1 4.04Å; I333-T338 HydrophobicContact CB-CG2 4.39Å; I333-T338 HydrophobicContact CD1-CG2 4.4Å; I333-T338 HydrophobicContact CG1-CG2 3.94Å; I333-T338 HydrophobicContact CG2-CG2 4.01Å; I333-L339 HydrophobicContact CG2-CB 3.83Å; I333-W342 HydrophobicContact CD1-CB 3.85Å; I333-W342 HydrophobicContact CD1-CD2 4.26Å; I333-W342 HydrophobicContact CD1-CG 3.55Å; I333-A381 HydrophobicContact CD1-CB 3.77Å; I333-A381 HydrophobicContact CG1-CB 4.18Å; I333-Y382 PolarHBondContact N-O 2.82Å; I333-I383 HydrophobicContact CB-CG1 4.13Å; I333-I383 HydrophobicContact CD1-CG1 3.95Å; I333-I383 HydrophobicContact CG1-CG1 4.41Å; I333-P384 WeakPolarHBondContact O-CD 3.46Å; I333-I396 HydrophobicContact CG2-CD1 4.19Å
334L97.5Very high94.3Very high66 Ų6659.4 Ų59.435%0.34632%0.322SS..  trans-107.1-11.1-179.7-58.9-179.5000113.8T332 P384 P393 Q395 I396 L491T332-L334 HydrophobicContact CG2-CD2 4.07Å; T332-L334 HydrophobicContact CG2-CG 4.42Å; L334-P384 HydrophobicContact CD2-CG 3.55Å; L334-P393 HydrophobicContact CD1-CB 4.21Å; L334-Q395 HydrophobicContact CD2-CG 4.44Å; L334-I396 WeakPolarHBondContact O-CG1 3.38Å; L334-L491 HydrophobicContact CD2-CD1 3.85Å
335D97.5Very high95.4Very high69 Ų6957.6 Ų57.637%0.36930%0.304SS..SBendtrans-129.3151.8-174.974.387.2000113E337 T338 L339 I396D335-E337 VanDerWaalsContact C-N 3.3Å; D335-E337 PolarHBondContact O-N 2.94Å; D335-E337 WeakPolarHBondContact OD1-CA 3.5Å; D335-E337 WeakPolarHBondContact OD1-CB 3.24Å; D335-E337 PolarHBondContact OD1-N 2.93Å; D335-T338 VanDerWaalsContact CG-OG1 3.3Å; D335-T338 PolarHBondContact O-N 3.43Å; D335-T338 PolarHBondContact OD1-N 3.07Å; D335-T338 PolarHBondContact OD1-OG1 3.27Å; D335-T338 WeakPolarHBondContact OD2-CB 3.39Å; D335-T338 PolarHBondContact OD2-OG1 3.06Å; D335-L339 PolarHBondContact O-N 3.14Å; D335-L339 VanDerWaalsContact O-N 3.09Å; D335-I396 WeakPolarHBondContact O-CD1 3.48Å
336E98Very high96.2Very high59 Ų5957 Ų5728%0.27630%0.3SS..Hα-helixtrans-66.5-27.8-175.3-179.3170.4143.600113.4K340 R400 L404E336-K340 HydrophobicContact CG-CD 4.25Å; E336-K340 HydrophobicContact CG-CG 4.47Å; E336-K340 WeakPolarHBondContact O-CG 3.46Å; E336-K340 PolarHBondContact O-N 3.39Å; E336-K340 WeakPolarHBondContact OE1-CE 3.35Å; E336-K340 IonicContact OE1-NZ 4Å; E336-K340 PolarHBondContact OE1-NZ 3.33Å; E336-R400 IonicContact OE1-CZ 3.67Å; E336-R400 IonicContact OE1-NE 3.7Å; E336-R400 IonicContact OE1-NH2 2.78Å; E336-R400 PolarHBondContact OE1-NH2 3.05Å; E336-R400 IonicContact OE2-CZ 3.62Å; E336-R400 IonicContact OE2-NE 2.88Å; E336-R400 PolarHBondContact OE2-NE 3.44Å; E336-R400 IonicContact OE2-NH2 3.46Å; E336-R400 PolarHBondContact OE2-NH2 2.81Å; E336-L404 HydrophobicContact CG-CD1 3.74Å
337E98.1Very high96.8Very high162 Ų16261 Ų6176%0.75732%0.315SS*.Hα-helixtrans-67.8-48.2178.8-174.8-178.716800110.2D335 L339 K340 A341D335-E337 VanDerWaalsContact C-N 3.3Å; D335-E337 PolarHBondContact O-N 2.94Å; D335-E337 WeakPolarHBondContact OD1-CA 3.5Å; D335-E337 WeakPolarHBondContact OD1-CB 3.24Å; D335-E337 PolarHBondContact OD1-N 2.93Å; E337-L339 VanDerWaalsContact C-N 3.34Å; E337-L339 PolarHBondContact O-N 2.82Å; E337-K340 PolarHBondContact O-N 3.02Å; E337-A341 PolarHBondContact O-N 2.96Å
338T98Very high97.3Very high44 Ų4466.2 Ų66.227%0.2734%0.339SS..Hα-helixtrans-61.9-41.1175.1-57.80000111.3V331 I333 D335 A341 W342V331-T338 HydrophobicContact CG1-CG2 4.18Å; I333-T338 HydrophobicContact CB-CG2 4.39Å; I333-T338 HydrophobicContact CD1-CG2 4.4Å; I333-T338 HydrophobicContact CG1-CG2 3.94Å; I333-T338 HydrophobicContact CG2-CG2 4.01Å; D335-T338 VanDerWaalsContact CG-OG1 3.3Å; D335-T338 PolarHBondContact O-N 3.43Å; D335-T338 PolarHBondContact OD1-N 3.07Å; D335-T338 PolarHBondContact OD1-OG1 3.27Å; D335-T338 WeakPolarHBondContact OD2-CB 3.39Å; D335-T338 PolarHBondContact OD2-OG1 3.06Å; T338-A341 PolarHBondContact O-N 2.92Å; T338-W342 PolarHBondContact O-N 2.87Å
339L98.5Very high97.8Very high1 Ų160.4 Ų60.41%0.00531%0.31CS..Hα-helixtrans-59.8-49175.8177.653.2000112I333 D335 E337 A341 W342 I343 I383 I396 A401 L404 L405I333-L339 HydrophobicContact CG2-CB 3.83Å; D335-L339 PolarHBondContact O-N 3.14Å; D335-L339 VanDerWaalsContact O-N 3.09Å; E337-L339 VanDerWaalsContact C-N 3.34Å; E337-L339 PolarHBondContact O-N 2.82Å; L339-A341 VanDerWaalsContact C-N 3.3Å; L339-A341 PolarHBondContact O-N 3.29Å; L339-W342 PolarHBondContact O-N 3.14Å; L339-W342 VanDerWaalsContact O-N 3.15Å; L339-I343 HydrophobicContact CD1-CD1 4.07Å; L339-I343 HydrophobicContact CD1-CG1 4.21Å; L339-I343 HydrophobicContact CG-CD1 3.99Å; L339-I343 WeakPolarHBondContact O-CG1 3.37Å; L339-I343 PolarHBondContact O-N 3.44Å; L339-I383 HydrophobicContact CD1-CD1 3.43Å; L339-I383 VanDerWaalsContact CD1-CD1 3.43Å; L339-I383 HydrophobicContact CD1-CG1 4.23Å; L339-I396 HydrophobicContact CB-CD1 3.83Å; L339-I396 HydrophobicContact CD2-CD1 3.7Å; L339-I396 HydrophobicContact CG-CD1 4.38Å; L339-A401 HydrophobicContact CD2-CB 4.34Å; L339-L404 HydrophobicContact CD2-CB 4.27Å; L339-L404 HydrophobicContact CD2-CD1 3.77Å; L339-L404 HydrophobicContact CG-CD1 4.45Å; L339-L405 HydrophobicContact CD1-CD2 4.26Å; L339-L405 HydrophobicContact CD1-CG 4.45Å
340K98.4Very high97.9Very high101 Ų10161.2 Ų61.244%0.43932%0.321SS..Hα-helixtrans-62-38.5177.8-74.5173.4-177.4165.30112.4E336 E337 W342 I343 A344E336-K340 HydrophobicContact CG-CD 4.25Å; E336-K340 HydrophobicContact CG-CG 4.47Å; E336-K340 WeakPolarHBondContact O-CG 3.46Å; E336-K340 PolarHBondContact O-N 3.39Å; E336-K340 WeakPolarHBondContact OE1-CE 3.35Å; E336-K340 IonicContact OE1-NZ 4Å; E336-K340 PolarHBondContact OE1-NZ 3.33Å; E337-K340 PolarHBondContact O-N 3.02Å; K340-W342 VanDerWaalsContact C-N 3.3Å; K340-W342 PolarHBondContact O-N 3.46Å; K340-I343 PolarHBondContact O-N 2.7Å; K340-A344 PolarHBondContact O-N 2.9Å; K340-A344 VanDerWaalsContact O-N 3.08Å
341A98.3Very high97.9Very high52 Ų5260.6 Ų60.643%0.4332%0.321SS..Hα-helixtrans-62.6-38.9175.500000111.7E337 T338 L339 K345E337-A341 PolarHBondContact O-N 2.96Å; T338-A341 PolarHBondContact O-N 2.92Å; L339-A341 VanDerWaalsContact C-N 3.3Å; L339-A341 PolarHBondContact O-N 3.29Å; A341-K345 WeakPolarHBondContact O-CG 3.35Å; A341-K345 PolarHBondContact O-N 2.96Å
342W98.3Very high98Very high10 Ų1058.2 Ų58.24%0.03831%0.306CS..Hα-helixtrans-70.5-41.6175-93.394.5000113.4V331 I333 T338 L339 K340 A344 K345 L346 I375 V379 A381V331-W342 HydrophobicContact CB-CZ2 4.32Å; V331-W342 HydrophobicContact CG2-CZ2 4.17Å; I333-W342 HydrophobicContact CD1-CB 3.85Å; I333-W342 HydrophobicContact CD1-CD2 4.26Å; I333-W342 HydrophobicContact CD1-CG 3.55Å; T338-W342 PolarHBondContact O-N 2.87Å; L339-W342 PolarHBondContact O-N 3.14Å; L339-W342 VanDerWaalsContact O-N 3.15Å; K340-W342 VanDerWaalsContact C-N 3.3Å; K340-W342 PolarHBondContact O-N 3.46Å; W342-A344 VanDerWaalsContact C-N 3.27Å; W342-A344 PolarHBondContact O-N 3.43Å; W342-K345 HydrophobicContact CD2-CD 4.42Å; W342-K345 WeakPolarHBondContact O-CA 3.27Å; W342-K345 WeakPolarHBondContact O-CB 3.46Å; W342-K345 PolarHBondContact O-N 3.23Å; W342-L346 WeakPolarHBondContact O-CG 3.1Å; W342-L346 PolarHBondContact O-N 3.18Å; W342-I375 HydrophobicContact CZ3-CD1 4.24Å; W342-I375 HydrophobicContact CZ3-CG1 4.15Å; W342-I375 HydrophobicContact CZ3-CG2 4.48Å; W342-V379 HydrophobicContact CH2-CG1 3.95Å; W342-A381 HydrophobicContact CD2-CB 3.76Å; W342-A381 HydrophobicContact CE3-CB 3.98Å; W342-A381 HydrophobicContact CG-CB 4.43Å; W342-A381 HydrophobicContact CH2-CB 3.75Å; W342-A381 HydrophobicContact CZ2-CB 3.55Å; W342-A381 HydrophobicContact CZ3-CB 3.97Å
343I98.6Very high98Very high18 Ų1855.7 Ų55.79%0.09229%0.291CS..Hα-helixtrans-54.6-46.5173-69.3166.6000110.3L339 K340 K345 L346 E347 L404 L405L339-I343 HydrophobicContact CD1-CD1 4.07Å; L339-I343 HydrophobicContact CD1-CG1 4.21Å; L339-I343 HydrophobicContact CG-CD1 3.99Å; L339-I343 WeakPolarHBondContact O-CG1 3.37Å; L339-I343 PolarHBondContact O-N 3.44Å; K340-I343 PolarHBondContact O-N 2.7Å; I343-K345 PolarHBondContact O-N 3.2Å; I343-L346 PolarHBondContact O-N 3.08Å; I343-L346 VanDerWaalsContact O-N 3.11Å; I343-E347 HydrophobicContact CG2-CG 4.33Å; I343-E347 WeakPolarHBondContact O-CG 3.43Å; I343-E347 PolarHBondContact O-N 2.86Å; I343-L404 HydrophobicContact CD1-CB 3.95Å; I343-L405 HydrophobicContact CD1-CD2 4.13Å; I343-L405 HydrophobicContact CG1-CD2 3.9Å
344A98.2Very high98.1Very high35 Ų3555.7 Ų55.729%0.28929%0.291SS..Hα-helixtrans-65.1-22.4177.600000114.3K340 W342 K348K340-A344 PolarHBondContact O-N 2.9Å; K340-A344 VanDerWaalsContact O-N 3.08Å; W342-A344 VanDerWaalsContact C-N 3.27Å; W342-A344 PolarHBondContact O-N 3.43Å; A344-K348 WeakPolarHBondContact O-CD 3.32Å; A344-K348 WeakPolarHBondContact O-CE 3.31Å; A344-K348 WeakPolarHBondContact O-CG 3.47Å
345K98.3Very high98.1Very high98 Ų9853.7 Ų53.743%0.42628%0.28SS..Hα-helixtrans-77.8-45.1170.2-68.3175-177.7178.70110.7A341 W342 I343 E347 K348 A349 I375A341-K345 WeakPolarHBondContact O-CG 3.35Å; A341-K345 PolarHBondContact O-N 2.96Å; W342-K345 HydrophobicContact CD2-CD 4.42Å; W342-K345 WeakPolarHBondContact O-CA 3.27Å; W342-K345 WeakPolarHBondContact O-CB 3.46Å; W342-K345 PolarHBondContact O-N 3.23Å; I343-K345 PolarHBondContact O-N 3.2Å; K345-E347 VanDerWaalsContact C-N 3.34Å; K345-E347 PolarHBondContact O-N 3.17Å; K345-K348 PolarHBondContact O-N 3.41Å; K345-K348 VanDerWaalsContact O-N 3.09Å; K345-A349 PolarHBondContact O-N 3.19Å; K345-A349 VanDerWaalsContact O-N 3.16Å; K345-I375 HydrophobicContact CB-CD1 4.1Å; K345-I375 HydrophobicContact CD-CD1 4.15Å
346L98.3Very high98.2Very high3 Ų350.7 Ų50.72%0.01627%0.265CS..Hα-helixtrans-61.2-41.3179.3-66.6164.7000111.8W342 I343 K348 A349 F352 F373 I375 L408W342-L346 WeakPolarHBondContact O-CG 3.1Å; W342-L346 PolarHBondContact O-N 3.18Å; I343-L346 PolarHBondContact O-N 3.08Å; I343-L346 VanDerWaalsContact O-N 3.11Å; L346-K348 PolarHBondContact O-N 3.05Å; L346-A349 WeakPolarHBondContact O-CB 3.43Å; L346-A349 PolarHBondContact O-N 2.98Å; L346-A349 VanDerWaalsContact O-N 3.13Å; L346-F352 HydrophobicContact CB-CD1 4.27Å; L346-F352 HydrophobicContact CB-CE1 4.25Å; L346-F352 HydrophobicContact CD2-CB 3.77Å; L346-F352 HydrophobicContact CD2-CD1 4.04Å; L346-F352 HydrophobicContact CD2-CD2 3.79Å; L346-F352 HydrophobicContact CD2-CE2 4.32Å; L346-F352 HydrophobicContact CD2-CG 3.61Å; L346-F373 HydrophobicContact CD1-CB 4.37Å; L346-F373 HydrophobicContact CD1-CD1 3.79Å; L346-F373 HydrophobicContact CD1-CD2 4.34Å; L346-F373 HydrophobicContact CD1-CE1 4.12Å; L346-F373 HydrophobicContact CD1-CG 3.9Å; L346-F373 HydrophobicContact CD2-CB 3.87Å; L346-F373 HydrophobicContact CD2-CD1 3.88Å; L346-F373 HydrophobicContact CD2-CG 4.1Å; L346-I375 HydrophobicContact CD2-CG2 3.56Å; L346-I375 HydrophobicContact CG-CG2 4.42Å; L346-L408 HydrophobicContact CB-CD1 4.34Å; L346-L408 HydrophobicContact CB-CD2 3.56Å; L346-L408 HydrophobicContact CD1-CD2 3.67Å; L346-L408 HydrophobicContact CG-CD2 4.23Å
347E97.6Very high98.2Very high124 Ų12448.7 Ų48.758%0.57926%0.255SS*.THydrogen-bonded Turntrans-60-24.7175-73.3175.7163.600113.7I343 K345 L408I343-E347 HydrophobicContact CG2-CG 4.33Å; I343-E347 WeakPolarHBondContact O-CG 3.43Å; I343-E347 PolarHBondContact O-N 2.86Å; K345-E347 VanDerWaalsContact C-N 3.34Å; K345-E347 PolarHBondContact O-N 3.17Å; E347-L408 HydrophobicContact CG-CD1 3.89Å
348K97.4Very high98.2Very high173 Ų17341.9 Ų41.975%0.75223%0.225SC*.THydrogen-bonded Turntrans-95.9-13.9179.7-64.7174.5-169.6170.90112.8A344 K345 L346A344-K348 WeakPolarHBondContact O-CD 3.32Å; A344-K348 WeakPolarHBondContact O-CE 3.31Å; A344-K348 WeakPolarHBondContact O-CG 3.47Å; K345-K348 PolarHBondContact O-N 3.41Å; K345-K348 VanDerWaalsContact O-N 3.09Å; L346-K348 PolarHBondContact O-N 3.05Å
349A97.4Very high98.1Very high18 Ų1842 Ų4215%0.14922%0.223CC..  trans-72.2135.1179.900000109.6K345 L346 V351 F352 I375K345-A349 PolarHBondContact O-N 3.19Å; K345-A349 VanDerWaalsContact O-N 3.16Å; L346-A349 WeakPolarHBondContact O-CB 3.43Å; L346-A349 PolarHBondContact O-N 2.98Å; L346-A349 VanDerWaalsContact O-N 3.13Å; A349-V351 PolarHBondContact O-N 3.37Å; A349-F352 HydrophobicContact CB-CB 4.34Å; A349-F352 HydrophobicContact CB-CD1 4.47Å; A349-I375 HydrophobicContact CB-CB 4.45Å; A349-I375 HydrophobicContact CB-CG2 4.03Å
350P96.8Very high97.8Very high113 Ų11344.1 Ų44.173%0.73424%0.239SC*.SBendtrans-65.4-32.3176.526.3-33.6000112.2
351V98.2Very high97.5Very high22 Ų2246.9 Ų46.913%0.13326%0.258CS..SBendtrans-153.1146.617161.50000107.1A349 L415 V417 F440A349-V351 PolarHBondContact O-N 3.37Å; V351-L415 WeakPolarHBondContact CA-O 3.43Å; V351-L415 HydrophobicContact CB-CB 4.31Å; V351-L415 HydrophobicContact CG2-CB 4.26Å; V351-V417 HydrophobicContact CG2-CB 4.17Å; V351-V417 HydrophobicContact CG2-CG1 4.03Å; V351-F440 HydrophobicContact CG2-CD2 4.09Å; V351-F440 HydrophobicContact CG2-CE2 4.25Å
352F98.7Very high97.3Very high0 Ų047.3 Ų47.30%025%0.253CS..EExtended strand (participates in β ladder)trans-134.1148.8172.359-97.9000111L346 A349 F354 F373 A374 I375 L408 A414 L415 K416 V417L346-F352 HydrophobicContact CB-CD1 4.27Å; L346-F352 HydrophobicContact CB-CE1 4.25Å; L346-F352 HydrophobicContact CD2-CB 3.77Å; L346-F352 HydrophobicContact CD2-CD1 4.04Å; L346-F352 HydrophobicContact CD2-CD2 3.79Å; L346-F352 HydrophobicContact CD2-CE2 4.32Å; L346-F352 HydrophobicContact CD2-CG 3.61Å; A349-F352 HydrophobicContact CB-CB 4.34Å; A349-F352 HydrophobicContact CB-CD1 4.47Å; F352-F354 HydrophobicContact CD2-CB 4.43Å; F352-F354 HydrophobicContact CE2-CB 4.3Å; F352-F373 AromaticContact CD2-CD1 3.79Å; F352-F373 HydrophobicContact CD2-CD1 3.79Å; F352-F373 HydrophobicContact CD2-CE1 4.35Å; F352-F373 AromaticContact CE2-CD1 3.75Å; F352-F373 HydrophobicContact CE2-CD1 3.75Å; F352-F373 AromaticContact CE2-CE1 3.83Å; F352-F373 HydrophobicContact CE2-CE1 3.83Å; F352-A374 CarbonylContact C-O 3.49Å; F352-A374 WeakPolarHBondContact CA-O 3.36Å; F352-A374 WeakPolarHBondContact CB-O 3.37Å; F352-I375 HydrophobicContact CB-CG2 4.06Å; F352-L408 HydrophobicContact CE1-CD1 4.1Å; F352-L408 HydrophobicContact CE1-CG 4.42Å; F352-L408 HydrophobicContact CZ-CD1 4.23Å; F352-L408 HydrophobicContact CZ-CD2 4.08Å; F352-L408 HydrophobicContact CZ-CG 4.05Å; F352-A414 HydrophobicContact CE1-CB 4.21Å; F352-L415 PolarHBondContact N-O 3.37Å; F352-L415 VanDerWaalsContact N-O 3.12Å; F352-K416 HydrophobicContact CD2-CG 4.12Å; F352-K416 HydrophobicContact CE1-CG 4.32Å; F352-K416 HydrophobicContact CE2-CD 4.41Å; F352-K416 HydrophobicContact CE2-CG 3.44Å; F352-K416 VanDerWaalsContact CE2-CG 3.44Å; F352-K416 HydrophobicContact CZ-CD 4.1Å; F352-K416 VanDerWaalsContact CZ-CE 3.41Å; F352-K416 HydrophobicContact CZ-CG 3.57Å; F352-K416 WeakPolarHBondContact O-CA 3.23Å; F352-V417 PolarHBondContact O-N 3.34Å
353A98.7Very high96.8Very high0 Ų047.2 Ų47.20%025%0.253CS..EExtended strand (participates in β ladder)trans-74.4142.9170.500000110.5F373 A374 V417 A502 T505 L506A353-F373 VanDerWaalsContact O-CA 3.22Å; A353-F373 WeakPolarHBondContact O-CA 3.5Å; A353-A374 HydrophobicContact CB-CB 4.12Å; A353-A374 PolarHBondContact N-O 3.22Å; A353-A374 PolarHBondContact O-N 3.32Å; A353-A374 VanDerWaalsContact O-N 3.17Å; A353-V417 CarbonylContact C-O 3.58Å; A353-V417 WeakPolarHBondContact CA-O 3.18Å; A353-V417 HydrophobicContact CB-CG1 4.02Å; A353-A502 HydrophobicContact CB-CB 4.46Å; A353-A502 WeakPolarHBondContact CB-O 3.36Å; A353-T505 HydrophobicContact CB-CG2 4.44Å; A353-L506 HydrophobicContact CB-CB 3.83Å
354F98.7Very high96.6Very high1 Ų146.8 Ų46.80%0.00425%0.251CS..EExtended strand (participates in β ladder)trans-138.3136.2178.3172.7-116.6000109.5F352 T356 L371 S372 F373 L409 K416 V417 L421 D424 L428 L435F352-F354 HydrophobicContact CD2-CB 4.43Å; F352-F354 HydrophobicContact CE2-CB 4.3Å; F354-T356 HydrophobicContact CE1-CG2 4.05Å; F354-T356 HydrophobicContact CE2-CG2 4.1Å; F354-T356 HydrophobicContact CZ-CG2 3.44Å; F354-T356 VanDerWaalsContact CZ-CG2 3.44Å; F354-L371 HydrophobicContact CE2-CB 4.26Å; F354-L371 HydrophobicContact CE2-CD2 3.78Å; F354-L371 HydrophobicContact CZ-CD2 4.08Å; F354-S372 WeakPolarHBondContact CA-O 3.32Å; F354-F373 HydrophobicContact CB-CD1 4.44Å; F354-F373 HydrophobicContact CB-CE1 4.43Å; F354-F373 AromaticContact CD2-CD1 3.91Å; F354-F373 HydrophobicContact CD2-CD1 3.91Å; F354-F373 AromaticContact CD2-CE1 3.31Å; F354-F373 HydrophobicContact CD2-CE1 3.31Å; F354-F373 HydrophobicContact CD2-CE2 4.41Å; F354-F373 AromaticContact CD2-CZ 3.61Å; F354-F373 HydrophobicContact CD2-CZ 3.61Å; F354-F373 AromaticContact CE2-CE1 3.92Å; F354-F373 HydrophobicContact CE2-CE1 3.92Å; F354-F373 AromaticContact CE2-CZ 3.74Å; F354-F373 HydrophobicContact CE2-CZ 3.74Å; F354-F373 HydrophobicContact CG-CE1 4.21Å; F354-L409 HydrophobicContact CD2-CD2 4.36Å; F354-L409 HydrophobicContact CE2-CD2 4.11Å; F354-L409 HydrophobicContact CZ-CD2 4.23Å; F354-K416 HydrophobicContact CB-CB 4.48Å; F354-K416 HydrophobicContact CB-CG 4.43Å; F354-V417 PolarHBondContact N-O 3.22Å; F354-L421 HydrophobicContact CD1-CD2 3.85Å; F354-L421 WeakPolarHBondContact O-CD2 3.1Å; F354-D424 HydrophobicContact CE1-CB 3.94Å; F354-L428 HydrophobicContact CE1-CD1 3.8Å; F354-L428 HydrophobicContact CZ-CD1 3.75Å; F354-L428 HydrophobicContact CZ-CG 4.43Å; F354-L435 HydrophobicContact CD1-CD1 4.18Å; F354-L435 HydrophobicContact CD1-CD2 4.04Å; F354-L435 HydrophobicContact CE1-CD1 4.03Å; F354-L435 HydrophobicContact CE1-CD2 3.86Å
355D98.5Very high96.4Very high24 Ų2446.9 Ų46.913%0.12825%0.249CC..EExtended strand (participates in β ladder)trans-150.9156.7176.2175.366000110.6S372D355-S372 WeakPolarHBondContact CB-OG 3.45Å; D355-S372 PolarHBondContact N-O 3.2Å; D355-S372 VanDerWaalsContact N-O 3.16Å; D355-S372 PolarHBondContact O-N 3.24Å; D355-S372 PolarHBondContact O-OG 3.33Å
356T98.4Very high96.2Very high6 Ų642.3 Ų42.34%0.03723%0.229CC..EExtended strand (participates in β ladder)trans-123.7136.4-179.660.50000112.3F354 L368 D424F354-T356 HydrophobicContact CE1-CG2 4.05Å; F354-T356 HydrophobicContact CE2-CG2 4.1Å; F354-T356 HydrophobicContact CZ-CG2 3.44Å; F354-T356 VanDerWaalsContact CZ-CG2 3.44Å; T356-L368 HydrophobicContact CG2-CD1 3.89Å; T356-D424 WeakPolarHBondContact CB-OD1 3.47Å; T356-D424 HydrophobicContact CG2-CB 4.12Å; T356-D424 PolarHBondContact N-OD1 3.07Å; T356-D424 PolarHBondContact OG1-OD1 3.23Å
357E98.1Very high96.2Very high18 Ų1845.1 Ų45.18%0.08424%0.244CC..EExtended strand (participates in β ladder)trans-102.2134.9173.9-62.5-67.6-172.800110.2V369 G370 Y382 F486 Y497 A498E357-V369 WeakPolarHBondContact O-CA 3.42Å; E357-V369 WeakPolarHBondContact O-CB 3.24Å; E357-V369 PolarHBondContact O-N 3.36Å; E357-G370 PolarHBondContact N-O 2.92Å; E357-G370 PolarHBondContact O-N 3.17Å; E357-G370 VanDerWaalsContact O-N 3.16Å; E357-Y382 HydrophobicContact CB-CE2 4.31Å; E357-Y382 HydrophobicContact CG-CE2 3.86Å; E357-F486 HydrophobicContact CB-CD1 3.64Å; E357-F486 HydrophobicContact CB-CD2 4.39Å; E357-F486 HydrophobicContact CB-CE1 3.59Å; E357-F486 HydrophobicContact CB-CE2 4.38Å; E357-F486 HydrophobicContact CB-CG 4.06Å; E357-F486 HydrophobicContact CB-CZ 3.99Å; E357-F486 HydrophobicContact CG-CD1 4.16Å; E357-F486 HydrophobicContact CG-CE1 3.61Å; E357-F486 HydrophobicContact CG-CE2 4.03Å; E357-F486 HydrophobicContact CG-CZ 3.54Å; E357-F486 VanDerWaalsContact OE2-CD2 3.31Å; E357-F486 WeakPolarHBondContact OE2-CD2 3.1Å; E357-F486 WeakPolarHBondContact OE2-CE2 3.39Å; E357-Y497 WeakPolarHBondContact OE1-CD1 3.38Å; E357-Y497 VanDerWaalsContact OE1-CE1 3.24Å; E357-Y497 WeakPolarHBondContact OE1-CE1 3.45Å; E357-A498 HydrophobicContact CG-CB 3.78Å; E357-A498 VanDerWaalsContact OE1-CB 3.3Å; E357-A498 WeakPolarHBondContact OE1-CB 3.39Å
358T98Very high96.2Very high18 Ų1839.2 Ų39.211%0.1122%0.217CC..EExtended strand (participates in β ladder)trans-138.5165.3-172.167.40000112.9S360 N367 Y423 I427 F486T358-S360 PolarHBondContact OG1-O 3.12Å; T358-N367 VanDerWaalsContact CA-O 3.3Å; T358-N367 WeakPolarHBondContact CA-O 3.32Å; T358-N367 WeakPolarHBondContact CB-O 3.47Å; T358-Y423 WeakPolarHBondContact CB-OH 3.19Å; T358-Y423 HydrophobicContact CG2-CE1 4.03Å; T358-Y423 WeakPolarHBondContact CG2-OH 3.35Å; T358-Y423 PolarHBondContact OG1-OH 2.86Å; T358-I427 HydrophobicContact CG2-CD1 3.91Å; T358-I427 HydrophobicContact CG2-CG1 3.92Å; T358-I427 HydrophobicContact CG2-CG2 4.08Å; T358-F486 WeakPolarHBondContact O-CB 3.48Å
359D95.8Very high96.2Very high46 Ų4631 Ų3125%0.24618%0.181CC..SBendtrans-86.6-4.4177.565.8-5.2000114A366 N367 V369 N487D359-A366 WeakPolarHBondContact OD1-CA 3.25Å; D359-N367 PolarHBondContact N-O 3.33Å; D359-N367 PolarHBondContact OD1-N 2.94Å; D359-N367 WeakPolarHBondContact OD2-CB 3.23Å; D359-N367 PolarHBondContact OD2-ND2 3.29Å; D359-V369 HydrophobicContact CB-CG2 4.16Å; D359-N487 WeakPolarHBondContact CB-OD1 3.17Å
360S93.8Very high96.3Very high46 Ų4630.2 Ų30.232%0.32217%0.174SC..  trans-159.8149.2-174.6175.30000111.7T358 D362 A366 Y423T358-S360 PolarHBondContact OG1-O 3.12Å; S360-D362 VanDerWaalsContact C-N 3.31Å; S360-D362 PolarHBondContact O-N 3.01Å; S360-D362 PolarHBondContact OG-N 3.21Å; S360-A366 WeakPolarHBondContact O-CB 3.09Å; S360-Y423 PolarHBondContact O-OH 3.11Å
361L91.8Very high96.4Very high160 Ų16024.8 Ų24.884%0.83814%0.139SC*.SBendtrans-80.8-6.6174.6-60.5177.7000113.8N363 Y423L361-N363 PolarHBondContact O-N 3.04Å; L361-Y423 WeakPolarHBondContact O-CE2 3.36Å
362D92.6Very high96.4Very high61 Ų6123.8 Ų23.833%0.32613%0.133SC..  trans-81104.5174.8172.116.9000110.8S360 I364 S365 A366S360-D362 VanDerWaalsContact C-N 3.31Å; S360-D362 PolarHBondContact O-N 3.01Å; S360-D362 PolarHBondContact OG-N 3.21Å; D362-I364 PolarHBondContact O-N 3.4Å; D362-I364 PolarHBondContact OD1-N 3.12Å; D362-I364 VanDerWaalsContact OD1-N 3.16Å; D362-S365 WeakPolarHBondContact CB-OG 3.47Å; D362-S365 PolarHBondContact O-N 3.29Å; D362-S365 VanDerWaalsContact O-N 3.13Å; D362-S365 WeakPolarHBondContact OD2-CB 3.04Å; D362-S365 PolarHBondContact OD2-OG 2.83Å; D362-A366 WeakPolarHBondContact O-CB 3.19Å; D362-A366 PolarHBondContact O-N 2.89Å
363N89.6Confident96.4Very high8 Ų823.9 Ų23.94%0.04313%0.134CC..THydrogen-bonded Turntrans-59.8-17.9-174.668.31.8000115.1L361 Y423 I427 N430 E541L361-N363 PolarHBondContact O-N 3.04Å; N363-Y423 HydrophobicContact CB-CD2 3.88Å; N363-Y423 HydrophobicContact CB-CE2 3.92Å; N363-I427 HydrophobicContact CB-CD1 4.44Å; N363-N430 PolarHBondContact O-ND2 3.04Å; N363-E541 PolarHBondContact ND2-OE2 2.96Å
364I93.9Very high96.4Very high9 Ų923.9 Ų23.95%0.04613%0.134CC..THydrogen-bonded Turntrans-90-35.8177.9-54.1-53.5000111.8D362 R542 T652 H656D362-I364 PolarHBondContact O-N 3.4Å; D362-I364 PolarHBondContact OD1-N 3.12Å; D362-I364 VanDerWaalsContact OD1-N 3.16Å; I364-R542 HydrophobicContact CD1-CB 4.37Å; I364-R542 HydrophobicContact CD1-CG 4.21Å; I364-T652 HydrophobicContact CG2-CG2 3.85Å; I364-H656 HydrophobicContact CG1-CB 4.1Å
365S92.8Very high96.4Very high37 Ų3725.3 Ų25.326%0.25914%0.141SC..THydrogen-bonded Turntrans-98.3-23.8-175.768.90000114.4D362 K651D362-S365 WeakPolarHBondContact CB-OG 3.47Å; D362-S365 PolarHBondContact O-N 3.29Å; D362-S365 VanDerWaalsContact O-N 3.13Å; D362-S365 WeakPolarHBondContact OD2-CB 3.04Å; D362-S365 PolarHBondContact OD2-OG 2.83Å; S365-K651 PolarHBondContact O-NZ 3.11Å
366A95.6Very high96.3Very high1 Ų129.9 Ų29.91%0.00816%0.162CC..PPolyproline II helixtrans-58.6143.1-177.200000113.3D359 S360 D362 I427D359-A366 WeakPolarHBondContact OD1-CA 3.25Å; S360-A366 WeakPolarHBondContact O-CB 3.09Å; D362-A366 WeakPolarHBondContact O-CB 3.19Å; D362-A366 PolarHBondContact O-N 2.89Å; A366-I427 HydrophobicContact CB-CD1 3.7Å
367N97Very high96.1Very high62 Ų6233.2 Ų33.233%0.33218%0.183SC..PPolyproline II helixtrans-97.6139.7172.3-58.3-69000110T358 D359 V369 Y431T358-N367 VanDerWaalsContact CA-O 3.3Å; T358-N367 WeakPolarHBondContact CA-O 3.32Å; T358-N367 WeakPolarHBondContact CB-O 3.47Å; D359-N367 PolarHBondContact N-O 3.33Å; D359-N367 PolarHBondContact OD1-N 2.94Å; D359-N367 WeakPolarHBondContact OD2-CB 3.23Å; D359-N367 PolarHBondContact OD2-ND2 3.29Å; N367-V369 PolarHBondContact O-N 2.89Å; N367-Y431 WeakPolarHBondContact CA-OH 3.21Å
368L98.3Very high96Very high0 Ų032.7 Ų32.70%018%0.182CC..EExtended strand (participates in β ladder)trans-73125.6173.2-177.968.8000108.7T356 G370 L371 V385 L402 I427 Y431T356-L368 HydrophobicContact CG2-CD1 3.89Å; L368-G370 WeakPolarHBondContact CD1-O 3.37Å; L368-L371 HydrophobicContact CD1-CG 4.29Å; L368-L371 HydrophobicContact CD2-CD1 4Å; L368-L371 HydrophobicContact CD2-CD2 4.27Å; L368-L371 HydrophobicContact CD2-CG 4.16Å; L368-V385 HydrophobicContact CD2-CG2 4.49Å; L368-V385 HydrophobicContact CG-CG2 4.26Å; L368-L402 HydrophobicContact CD2-CD1 4.13Å; L368-L402 HydrophobicContact CD2-CD2 3.71Å; L368-L402 HydrophobicContact CD2-CG 4.27Å; L368-I427 HydrophobicContact CB-CG2 4.06Å; L368-I427 HydrophobicContact CD1-CG2 3.86Å; L368-Y431 HydrophobicContact CB-CD2 4.4Å; L368-Y431 HydrophobicContact CB-CE2 3.61Å; L368-Y431 PolarHBondContact N-OH 3.19Å
369V98.3Very high96Very high2 Ų233.1 Ų33.11%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-106.9-35-178.7178.90000111.5E357 D359 N367 V385 A386 F486 N487E357-V369 WeakPolarHBondContact O-CA 3.42Å; E357-V369 WeakPolarHBondContact O-CB 3.24Å; E357-V369 PolarHBondContact O-N 3.36Å; D359-V369 HydrophobicContact CB-CG2 4.16Å; N367-V369 PolarHBondContact O-N 2.89Å; V369-V385 VanDerWaalsContact O-CG2 3.31Å; V369-V385 WeakPolarHBondContact O-CG2 3.46Å; V369-V385 PolarHBondContact O-N 3.46Å; V369-A386 PolarHBondContact O-N 3.32Å; V369-A386 VanDerWaalsContact O-N 3.14Å; V369-F486 HydrophobicContact CB-CD1 4.45Å; V369-F486 HydrophobicContact CG1-CD1 3.9Å; V369-N487 HydrophobicContact CG1-CB 3.83Å; V369-N487 HydrophobicContact CG2-CB 3.87Å
370G98.5Very high96.1Very high0 Ų031 Ų310%017%0.174CC..EExtended strand (participates in β ladder)trans-166.6172.8171.700000113.3E357 L368 I383E357-G370 PolarHBondContact N-O 2.92Å; E357-G370 PolarHBondContact O-N 3.17Å; E357-G370 VanDerWaalsContact O-N 3.16Å; L368-G370 WeakPolarHBondContact CD1-O 3.37Å; G370-I383 CarbonylContact C-O 3.59Å; G370-I383 WeakPolarHBondContact CA-O 3.47Å
371L98.7Very high96.3Very high0 Ų028.8 Ų28.80%016%0.158CC..EExtended strand (participates in β ladder)trans-130.2138.2178.2-51.397.8000109.3F354 L368 F373 I383 V385 L402 L405 L409 L428F354-L371 HydrophobicContact CE2-CB 4.26Å; F354-L371 HydrophobicContact CE2-CD2 3.78Å; F354-L371 HydrophobicContact CZ-CD2 4.08Å; L368-L371 HydrophobicContact CD1-CG 4.29Å; L368-L371 HydrophobicContact CD2-CD1 4Å; L368-L371 HydrophobicContact CD2-CD2 4.27Å; L368-L371 HydrophobicContact CD2-CG 4.16Å; L371-F373 HydrophobicContact CB-CE2 3.84Å; L371-F373 HydrophobicContact CB-CZ 4.33Å; L371-I383 PolarHBondContact N-O 3.42Å; L371-I383 PolarHBondContact O-N 2.99Å; L371-V385 HydrophobicContact CD1-CG1 4.12Å; L371-L402 HydrophobicContact CD1-CD2 4.48Å; L371-L402 HydrophobicContact CD2-CD2 4.3Å; L371-L405 HydrophobicContact CD1-CD1 4.08Å; L371-L405 HydrophobicContact CD2-CD1 4.11Å; L371-L409 HydrophobicContact CD2-CD1 4.48Å; L371-L428 HydrophobicContact CD2-CD2 4.34Å
372S98.7Very high96.6Very high0 Ų021.1 Ų21.10%012%0.118CC..EExtended strand (participates in β ladder)trans-120.4150177.756.50000111.5F354 D355 A381 A498F354-S372 WeakPolarHBondContact CA-O 3.32Å; D355-S372 WeakPolarHBondContact CB-OG 3.45Å; D355-S372 PolarHBondContact N-O 3.2Å; D355-S372 VanDerWaalsContact N-O 3.16Å; D355-S372 PolarHBondContact O-N 3.24Å; D355-S372 PolarHBondContact O-OG 3.33Å; S372-A381 CarbonylContact C-O 3.47Å; S372-A381 WeakPolarHBondContact CA-O 3.41Å; S372-A498 WeakPolarHBondContact CB-O 3.49Å; S372-A498 PolarHBondContact OG-O 3.01Å
373F98.7Very high96.9Very high2 Ų218.3 Ų18.31%0.00910%0.103CC..EExtended strand (participates in β ladder)trans-142.3145.8-178.8-59.3-91.8000111.2L346 F352 A353 F354 L371 A380 A381 I383 L405 L409L346-F373 HydrophobicContact CD1-CB 4.37Å; L346-F373 HydrophobicContact CD1-CD1 3.79Å; L346-F373 HydrophobicContact CD1-CD2 4.34Å; L346-F373 HydrophobicContact CD1-CE1 4.12Å; L346-F373 HydrophobicContact CD1-CG 3.9Å; L346-F373 HydrophobicContact CD2-CB 3.87Å; L346-F373 HydrophobicContact CD2-CD1 3.88Å; L346-F373 HydrophobicContact CD2-CG 4.1Å; F352-F373 AromaticContact CD2-CD1 3.79Å; F352-F373 HydrophobicContact CD2-CD1 3.79Å; F352-F373 HydrophobicContact CD2-CE1 4.35Å; F352-F373 AromaticContact CE2-CD1 3.75Å; F352-F373 HydrophobicContact CE2-CD1 3.75Å; F352-F373 AromaticContact CE2-CE1 3.83Å; F352-F373 HydrophobicContact CE2-CE1 3.83Å; A353-F373 VanDerWaalsContact O-CA 3.22Å; A353-F373 WeakPolarHBondContact O-CA 3.5Å; F354-F373 HydrophobicContact CB-CD1 4.44Å; F354-F373 HydrophobicContact CB-CE1 4.43Å; F354-F373 AromaticContact CD2-CD1 3.91Å; F354-F373 HydrophobicContact CD2-CD1 3.91Å; F354-F373 AromaticContact CD2-CE1 3.31Å; F354-F373 HydrophobicContact CD2-CE1 3.31Å; F354-F373 HydrophobicContact CD2-CE2 4.41Å; F354-F373 AromaticContact CD2-CZ 3.61Å; F354-F373 HydrophobicContact CD2-CZ 3.61Å; F354-F373 AromaticContact CE2-CE1 3.92Å; F354-F373 HydrophobicContact CE2-CE1 3.92Å; F354-F373 AromaticContact CE2-CZ 3.74Å; F354-F373 HydrophobicContact CE2-CZ 3.74Å; F354-F373 HydrophobicContact CG-CE1 4.21Å; L371-F373 HydrophobicContact CB-CE2 3.84Å; L371-F373 HydrophobicContact CB-CZ 4.33Å; F373-A380 CarbonylContact O-C 3.57Å; F373-A380 WeakPolarHBondContact O-CA 3.39Å; F373-A380 WeakPolarHBondContact O-CB 3.46Å; F373-A381 PolarHBondContact N-O 3.11Å; F373-A381 PolarHBondContact O-N 3.27Å; F373-I383 HydrophobicContact CD2-CD1 4.12Å; F373-I383 HydrophobicContact CE2-CD1 3.67Å; F373-L405 HydrophobicContact CE2-CD2 4.28Å; F373-L405 HydrophobicContact CZ-CD1 4.49Å; F373-L405 HydrophobicContact CZ-CD2 3.99Å; F373-L409 HydrophobicContact CE1-CD2 4.27Å; F373-L409 HydrophobicContact CZ-CD2 4.4Å
374A98.6Very high97.4Very high0 Ų018 Ų180%010%0.101CC..EExtended strand (participates in β ladder)trans-135138.9166.800000111F352 A353 V379 A380 A502 D503 L506F352-A374 CarbonylContact C-O 3.49Å; F352-A374 WeakPolarHBondContact CA-O 3.36Å; F352-A374 WeakPolarHBondContact CB-O 3.37Å; A353-A374 HydrophobicContact CB-CB 4.12Å; A353-A374 PolarHBondContact N-O 3.22Å; A353-A374 PolarHBondContact O-N 3.32Å; A353-A374 VanDerWaalsContact O-N 3.17Å; A374-V379 WeakPolarHBondContact CA-O 3.29Å; A374-A380 HydrophobicContact CB-CB 3.89Å; A374-A502 HydrophobicContact CB-CB 4.12Å; A374-D503 HydrophobicContact CB-CB 4.36Å; A374-L506 HydrophobicContact CB-CB 4.27Å; A374-L506 HydrophobicContact CB-CD2 4.11Å
375I97.9Very high97.6Very high32 Ų3218 Ų1816%0.16410%0.102CC..EExtended strand (participates in β ladder)trans-114.1-26.3-177.954169.6000112.9W342 K345 L346 A349 F352 V379W342-I375 HydrophobicContact CZ3-CD1 4.24Å; W342-I375 HydrophobicContact CZ3-CG1 4.15Å; W342-I375 HydrophobicContact CZ3-CG2 4.48Å; K345-I375 HydrophobicContact CB-CD1 4.1Å; K345-I375 HydrophobicContact CD-CD1 4.15Å; L346-I375 HydrophobicContact CD2-CG2 3.56Å; L346-I375 HydrophobicContact CG-CG2 4.42Å; A349-I375 HydrophobicContact CB-CB 4.45Å; A349-I375 HydrophobicContact CB-CG2 4.03Å; F352-I375 HydrophobicContact CB-CG2 4.06Å; I375-V379 HydrophobicContact CD1-CG1 4.02Å; I375-V379 HydrophobicContact CG1-CB 4.28Å; I375-V379 HydrophobicContact CG1-CG1 3.84Å; I375-V379 PolarHBondContact N-O 3.44Å
376E96.3Very high97.8Very high120 Ų12017.8 Ų17.856%0.56110%0.103SC*.EExtended strand (participates in β ladder)trans-146.2155.2176.5-63-179.8-174.500108.4G378 V379E376-G378 PolarHBondContact O-N 3.38Å; E376-V379 HydrophobicContact CB-CB 4.12Å; E376-V379 HydrophobicContact CB-CG2 4.11Å; E376-V379 PolarHBondContact O-N 3.22Å
377P95.5Very high97.9Very high76 Ų7618.2 Ų18.249%0.49410%0.104SC..THydrogen-bonded Turntrans-50.9122.6173.2-28.536.4000112.2V379 D503 Q507 L510P377-V379 VanDerWaalsContact C-N 3.3Å; P377-V379 PolarHBondContact O-N 2.95Å; P377-D503 WeakPolarHBondContact CA-OD1 3.26Å; P377-Q507 HydrophobicContact CB-CG 3.93Å; P377-Q507 HydrophobicContact CG-CG 4.12Å; P377-L510 HydrophobicContact CG-CD1 3.84Å
378G95.7Very high97.8Very high6 Ų620.4 Ų20.46%0.06212%0.116CC..THydrogen-bonded Turntrans77.35.2-177.600000115.4N329 E376 D503N329-G378 WeakPolarHBondContact CB-O 3.49Å; E376-G378 PolarHBondContact O-N 3.38Å; G378-D503 WeakPolarHBondContact CA-OD2 3.34Å; G378-D503 VanDerWaalsContact N-CG 3.27Å; G378-D503 PolarHBondContact N-OD1 3.47Å; G378-D503 PolarHBondContact N-OD2 2.98Å
379V97.7Very high97.4Very high28 Ų2822.6 Ų22.617%0.1712%0.124CC..EExtended strand (participates in β ladder)trans-118.992.7176.9-174.50000109.3N329 W342 A374 I375 E376 P377N329-V379 HydrophobicContact CB-CG2 4.25Å; W342-V379 HydrophobicContact CH2-CG1 3.95Å; A374-V379 WeakPolarHBondContact CA-O 3.29Å; I375-V379 HydrophobicContact CD1-CG1 4.02Å; I375-V379 HydrophobicContact CG1-CB 4.28Å; I375-V379 HydrophobicContact CG1-CG1 3.84Å; I375-V379 PolarHBondContact N-O 3.44Å; E376-V379 HydrophobicContact CB-CB 4.12Å; E376-V379 HydrophobicContact CB-CG2 4.11Å; E376-V379 PolarHBondContact O-N 3.22Å; P377-V379 VanDerWaalsContact C-N 3.3Å; P377-V379 PolarHBondContact O-N 2.95Å
380A98.3Very high96.9Very high0 Ų029.6 Ų29.60%016%0.161CC..EExtended strand (participates in β ladder)trans-134.1161.5-175.200000112.4Y330 V331 F373 A374 A499 D503Y330-A380 WeakPolarHBondContact CA-O 3Å; Y330-A380 HydrophobicContact CD1-CB 3.91Å; Y330-A380 HydrophobicContact CE1-CB 3.88Å; V331-A380 PolarHBondContact N-O 2.95Å; F373-A380 CarbonylContact O-C 3.57Å; F373-A380 WeakPolarHBondContact O-CA 3.39Å; F373-A380 WeakPolarHBondContact O-CB 3.46Å; A374-A380 HydrophobicContact CB-CB 3.89Å; A380-A499 HydrophobicContact CB-CB 3.95Å; A380-A499 VanDerWaalsContact CB-O 3.28Å; A380-A499 WeakPolarHBondContact CB-O 3.39Å; A380-D503 HydrophobicContact CB-CB 4.18Å
381A98.3Very high96.4Very high0 Ų036.5 Ų36.50%020%0.198CC..EExtended strand (participates in β ladder)trans-140151.8176.500000111.9V331 I333 W342 S372 F373V331-A381 HydrophobicContact CB-CB 4.41Å; V331-A381 CarbonylContact O-C 3.53Å; V331-A381 WeakPolarHBondContact O-CA 3.13Å; V331-A381 WeakPolarHBondContact O-CB 3.21Å; I333-A381 HydrophobicContact CD1-CB 3.77Å; I333-A381 HydrophobicContact CG1-CB 4.18Å; W342-A381 HydrophobicContact CD2-CB 3.76Å; W342-A381 HydrophobicContact CE3-CB 3.98Å; W342-A381 HydrophobicContact CG-CB 4.43Å; W342-A381 HydrophobicContact CH2-CB 3.75Å; W342-A381 HydrophobicContact CZ2-CB 3.55Å; W342-A381 HydrophobicContact CZ3-CB 3.97Å; S372-A381 CarbonylContact C-O 3.47Å; S372-A381 WeakPolarHBondContact CA-O 3.41Å; F373-A381 PolarHBondContact N-O 3.11Å; F373-A381 PolarHBondContact O-N 3.27Å
382Y98.7Very high96Very high0 Ų037.9 Ų37.90%021%0.21CC..EExtended strand (participates in β ladder)trans-122.9132.6170.9177.8-119000110.3V331 T332 I333 E357 P384 H387 F486 L491 A494 G495 A498V331-Y382 PolarHBondContact O-N 2.64Å; T332-Y382 CarbonylContact C-O 3.59Å; T332-Y382 WeakPolarHBondContact CA-O 3.5Å; T332-Y382 HydrophobicContact CG2-CD1 4.37Å; I333-Y382 PolarHBondContact N-O 2.82Å; E357-Y382 HydrophobicContact CB-CE2 4.31Å; E357-Y382 HydrophobicContact CG-CE2 3.86Å; Y382-P384 HydrophobicContact CD1-CB 4.32Å; Y382-P384 HydrophobicContact CD1-CG 4.39Å; Y382-P384 HydrophobicContact CE1-CB 3.67Å; Y382-P384 HydrophobicContact CE1-CG 4.21Å; Y382-P384 WeakPolarHBondContact O-CD 3.32Å; Y382-H387 AromaticContact CE1-NE2 3.78Å; Y382-H387 AromaticContact CZ-NE2 3.71Å; Y382-H387 PolarHBondContact OH-NE2 2.8Å; Y382-F486 HydrophobicContact CE2-CE1 4.49Å; Y382-F486 AromaticContact CZ-CE1 3.97Å; Y382-F486 WeakPolarHBondContact OH-CE1 3.31Å; Y382-L491 HydrophobicContact CE1-CD2 4.34Å; Y382-A494 HydrophobicContact CE1-CB 4.43Å; Y382-G495 VanDerWaalsContact CD1-CA 3.49Å; Y382-A498 HydrophobicContact CD2-CB 3.3Å; Y382-A498 HydrophobicContact CE2-CB 3.62Å; Y382-A498 HydrophobicContact CG-CB 3.84Å
383I98.6Very high95.7Very high2 Ų240.1 Ų40.11%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-112.595.4177.4-51.5166.3000107.7I333 L339 G370 L371 F373 V385 A401 L405I333-I383 HydrophobicContact CB-CG1 4.13Å; I333-I383 HydrophobicContact CD1-CG1 3.95Å; I333-I383 HydrophobicContact CG1-CG1 4.41Å; L339-I383 HydrophobicContact CD1-CD1 3.43Å; L339-I383 VanDerWaalsContact CD1-CD1 3.43Å; L339-I383 HydrophobicContact CD1-CG1 4.23Å; G370-I383 CarbonylContact C-O 3.59Å; G370-I383 WeakPolarHBondContact CA-O 3.47Å; L371-I383 PolarHBondContact N-O 3.42Å; L371-I383 PolarHBondContact O-N 2.99Å; F373-I383 HydrophobicContact CD2-CD1 4.12Å; F373-I383 HydrophobicContact CE2-CD1 3.67Å; I383-V385 HydrophobicContact CG2-CG1 4.03Å; I383-A401 HydrophobicContact CG2-CB 4.5Å; I383-L405 HydrophobicContact CD1-CD1 3.89Å; I383-L405 HydrophobicContact CD1-CD2 4.37Å
384P98.4Very high95.5Very high0 Ų047.4 Ų47.40%026%0.263CS..EExtended strand (participates in β ladder)trans-69.8135.4170.329.3-34.8000110.6T332 I333 L334 Y382 Q395 L491T332-P384 HydrophobicContact CG2-CG 4.04Å; I333-P384 WeakPolarHBondContact O-CD 3.46Å; L334-P384 HydrophobicContact CD2-CG 3.55Å; Y382-P384 HydrophobicContact CD1-CB 4.32Å; Y382-P384 HydrophobicContact CD1-CG 4.39Å; Y382-P384 HydrophobicContact CE1-CB 3.67Å; Y382-P384 HydrophobicContact CE1-CG 4.21Å; Y382-P384 WeakPolarHBondContact O-CD 3.32Å; P384-Q395 HydrophobicContact CB-CG 4Å; P384-Q395 HydrophobicContact CG-CG 4.06Å; P384-L491 HydrophobicContact CB-CD1 4.42Å; P384-L491 HydrophobicContact CB-CD2 3.47Å; P384-L491 VanDerWaalsContact CB-CD2 3.47Å; P384-L491 HydrophobicContact CG-CD1 4.15Å; P384-L491 HydrophobicContact CG-CD2 3.88Å
385V98.1Very high95.4Very high10 Ų1049.5 Ų49.56%0.06127%0.273CS..SBendtrans-131.7-11.9-179.2-60.80000114.6L368 V369 L371 I383 R398 A401L368-V385 HydrophobicContact CD2-CG2 4.49Å; L368-V385 HydrophobicContact CG-CG2 4.26Å; V369-V385 VanDerWaalsContact O-CG2 3.31Å; V369-V385 WeakPolarHBondContact O-CG2 3.46Å; V369-V385 PolarHBondContact O-N 3.46Å; L371-V385 HydrophobicContact CD1-CG1 4.12Å; I383-V385 HydrophobicContact CG2-CG1 4.03Å; V385-R398 HydrophobicContact CB-CB 3.91Å; V385-R398 HydrophobicContact CB-CG 4.27Å; V385-R398 HydrophobicContact CG2-CB 4.09Å; V385-R398 HydrophobicContact CG2-CG 3.94Å; V385-A401 HydrophobicContact CG1-CB 3.64Å
386A97.3Very high95.4Very high33 Ų3348.7 Ų48.727%0.27327%0.269SS..  trans-154.231.6-178.900000114.8V369 Q395 N487V369-A386 PolarHBondContact O-N 3.32Å; V369-A386 VanDerWaalsContact O-N 3.14Å; A386-Q395 VanDerWaalsContact N-OE1 3.14Å; A386-N487 WeakPolarHBondContact O-CB 3.36Å
387H97.9Very high95.4Very high9 Ų946 Ų464%0.04226%0.264CS..  trans-69.6133.1168-76.6-96.6000110.7Y382 Y389 Q395 F486 N487 I489 L491Y382-H387 AromaticContact CE1-NE2 3.78Å; Y382-H387 AromaticContact CZ-NE2 3.71Å; Y382-H387 PolarHBondContact OH-NE2 2.8Å; H387-Y389 HydrophobicContact CB-CD1 4.12Å; H387-Y389 HydrophobicContact CB-CE1 3.96Å; H387-Q395 PolarHBondContact O-NE2 3.44Å; H387-F486 AromaticContact CE1-CD1 3.73Å; H387-F486 AromaticContact CE1-CE1 3.8Å; H387-F486 PolarHBondContact CE1-O 3.38Å; H387-F486 PolarHBondContact ND1-O 3.01Å; H387-F486 AromaticContact NE2-CD1 3.88Å; H387-F486 AromaticContact NE2-CE1 3.8Å; H387-N487 CarbonylContact C-O 3.56Å; H387-N487 VanDerWaalsContact CA-O 3.31Å; H387-N487 WeakPolarHBondContact CA-O 3.09Å; H387-N487 PolarHBondContact ND1-O 2.74Å; H387-I489 PolarHBondContact CE1-O 3.41Å; H387-I489 PolarHBondContact ND1-O 3.27Å; H387-L491 HydrophobicContact CB-CD2 4.04Å; H387-L491 VanDerWaalsContact CD2-CD2 3.4Å; H387-L491 WeakPolarHBondContact CD2-CD2 3.19Å
388D95.2Very high95.5Very high108 Ų10845.1 Ų45.158%0.57825%0.25SS*.  trans-134.419.2-170.170.7-9.4000114.4N487D388-N487 PolarHBondContact N-O 2.89Å; D388-N487 PolarHBondContact OD1-ND2 2.95Å; D388-N487 PolarHBondContact OD2-ND2 2.9Å
389Y90.7Very high95.6Very high46 Ų4650.7 Ų50.718%0.1828%0.275CS..SBendtrans-67.3163.2171.965.7-88.9000112.4H387 D391 A392 P393 I489 A490 L491H387-Y389 HydrophobicContact CB-CD1 4.12Å; H387-Y389 HydrophobicContact CB-CE1 3.96Å; Y389-D391 PolarHBondContact O-N 2.69Å; Y389-A392 HydrophobicContact CD1-CB 3.89Å; Y389-A392 HydrophobicContact CD2-CB 4.15Å; Y389-A392 HydrophobicContact CE1-CB 3.71Å; Y389-A392 HydrophobicContact CE2-CB 3.97Å; Y389-A392 HydrophobicContact CG-CB 4.09Å; Y389-A392 VanDerWaalsContact O-CB 3.3Å; Y389-A392 WeakPolarHBondContact O-CB 3.44Å; Y389-A392 PolarHBondContact O-N 2.87Å; Y389-A392 VanDerWaalsContact O-N 3.13Å; Y389-P393 VanDerWaalsContact OH-CD 3.24Å; Y389-P393 WeakPolarHBondContact OH-CD 3.41Å; Y389-I489 WeakPolarHBondContact CD1-O 3.27Å; Y389-I489 WeakPolarHBondContact CE1-O 3.32Å; Y389-A490 HydrophobicContact CE2-CB 4.49Å; Y389-L491 HydrophobicContact CE1-CG 4.15Å; Y389-L491 WeakPolarHBondContact OH-CG 3.45Å; Y389-L491 PolarHBondContact OH-N 3.16Å
390L88.1Confident95.7Very high150 Ų15052.8 Ų52.879%0.78528%0.279SS*.THydrogen-bonded Turntrans-61.3129.2178.4-17667.3000110.5A392L390-A392 VanDerWaalsContact C-N 3.27Å; L390-A392 PolarHBondContact O-N 3.12Å
391D87.9Confident95.7Very high144 Ų14452.8 Ų52.877%0.7728%0.279SS*.THydrogen-bonded Turntrans66.221.8-176.7-51.2-44.1000114.7Y389Y389-D391 PolarHBondContact O-N 2.69Å
392A90Very high95.7Very high30 Ų3053.2 Ų53.225%0.24828%0.282CS..PPolyproline II helixtrans-55.6129.9170.100000111.1Y389 L390Y389-A392 HydrophobicContact CD1-CB 3.89Å; Y389-A392 HydrophobicContact CD2-CB 4.15Å; Y389-A392 HydrophobicContact CE1-CB 3.71Å; Y389-A392 HydrophobicContact CE2-CB 3.97Å; Y389-A392 HydrophobicContact CG-CB 4.09Å; Y389-A392 VanDerWaalsContact O-CB 3.3Å; Y389-A392 WeakPolarHBondContact O-CB 3.44Å; Y389-A392 PolarHBondContact O-N 2.87Å; Y389-A392 VanDerWaalsContact O-N 3.13Å; L390-A392 VanDerWaalsContact C-N 3.27Å; L390-A392 PolarHBondContact O-N 3.12Å
393P91.1Very high95.7Very high47 Ų4759 Ų5931%0.30531%0.309SS..PPolyproline II helixtrans-58.6157.9175.5-26.535.1000113.3L334 Y389 Q395 L491L334-P393 HydrophobicContact CD1-CB 4.21Å; Y389-P393 VanDerWaalsContact OH-CD 3.24Å; Y389-P393 WeakPolarHBondContact OH-CD 3.41Å; P393-Q395 PolarHBondContact O-N 2.9Å; P393-Q395 PolarHBondContact O-NE2 3.24Å; P393-L491 HydrophobicContact CB-CD1 4.09Å; P393-L491 HydrophobicContact CG-CD1 3.88Å
394D94.9Very high95.7Very high154 Ų15460.4 Ų60.482%0.82432%0.316SS*.PPolyproline II helixtrans-58.5128.6171-72.4-32.2000110.1
395Q97.1Very high95.7Very high45 Ų4560.4 Ų60.421%0.2132%0.316CS..  trans-114.1156179.5-70.3158.175.600109.8L334 P384 A386 H387 P393 S397 L491L334-Q395 HydrophobicContact CD2-CG 4.44Å; P384-Q395 HydrophobicContact CB-CG 4Å; P384-Q395 HydrophobicContact CG-CG 4.06Å; A386-Q395 VanDerWaalsContact N-OE1 3.14Å; H387-Q395 PolarHBondContact O-NE2 3.44Å; P393-Q395 PolarHBondContact O-N 2.9Å; P393-Q395 PolarHBondContact O-NE2 3.24Å; Q395-S397 PolarHBondContact O-N 3.44Å; Q395-L491 HydrophobicContact CG-CD1 4.42Å
396I97.3Very high95.7Very high15 Ų1563.6 Ų63.68%0.07733%0.329CS..  trans-61.9130.4164.9-52.4170000107.1I333 L334 D335 L339 R398 R400 A401I333-I396 HydrophobicContact CG2-CD1 4.19Å; L334-I396 WeakPolarHBondContact O-CG1 3.38Å; D335-I396 WeakPolarHBondContact O-CD1 3.48Å; L339-I396 HydrophobicContact CB-CD1 3.83Å; L339-I396 HydrophobicContact CD2-CD1 3.7Å; L339-I396 HydrophobicContact CG-CD1 4.38Å; I396-R398 PolarHBondContact O-N 2.97Å; I396-R400 HydrophobicContact CG2-CB 4.16Å; I396-R400 HydrophobicContact CG2-CG 4.13Å; I396-A401 HydrophobicContact CB-CB 4.45Å; I396-A401 HydrophobicContact CG2-CB 3.96Å
397S97.2Very high95.8Very high64 Ų6466.3 Ų66.345%0.44834%0.344SS..  trans-58.7141.4178.469.90000110.6Q395 E399 R400 A401Q395-S397 PolarHBondContact O-N 3.44Å; S397-E399 PolarHBondContact O-N 3.41Å; S397-R400 PolarHBondContact O-N 3.16Å; S397-R400 VanDerWaalsContact OG-CB 3.25Å; S397-R400 WeakPolarHBondContact OG-CB 3.35Å; S397-R400 PolarHBondContact OG-N 2.89Å; S397-A401 PolarHBondContact O-N 3.04Å
398R97.8Very high95.8Very high56 Ų5666.2 Ų66.221%0.21134%0.344CS..Hα-helixtrans-51.3-44.4179.3-178.1172.658.8-173.4-1.6112.8V385 I396 R400 A401 L402 Y431V385-R398 HydrophobicContact CB-CB 3.91Å; V385-R398 HydrophobicContact CB-CG 4.27Å; V385-R398 HydrophobicContact CG2-CB 4.09Å; V385-R398 HydrophobicContact CG2-CG 3.94Å; I396-R398 PolarHBondContact O-N 2.97Å; R398-R400 VanDerWaalsContact C-N 3.31Å; R398-R400 PolarHBondContact O-N 3.22Å; R398-A401 PolarHBondContact O-N 2.91Å; R398-L402 HydrophobicContact CG-CD1 3.92Å; R398-L402 HydrophobicContact CG-CG 4.35Å; R398-L402 VanDerWaalsContact O-CB 3.27Å; R398-L402 WeakPolarHBondContact O-CB 3.33Å; R398-L402 VanDerWaalsContact O-CG 3.23Å; R398-L402 WeakPolarHBondContact O-CG 3.24Å; R398-L402 PolarHBondContact O-N 2.98Å; R398-Y431 HydrophobicContact CG-CE1 4.5Å; R398-Y431 PolarHBondContact NH1-OH 3.09Å; R398-Y431 VanDerWaalsContact NH1-OH 3.11Å
399E98Very high95.9Very high123 Ų12361 Ų6158%0.57532%0.316SS*.Hα-helixtrans-61.3-41.5179.4-63.368.7-145.600111.2S397 E403S397-E399 PolarHBondContact O-N 3.41Å; E399-E403 WeakPolarHBondContact O-CB 3.28Å; E399-E403 PolarHBondContact O-N 2.88Å
400R98.2Very high96.3Very high72 Ų7261.6 Ų61.627%0.27232%0.321SS..Hα-helixtrans-73.7-42.9-179.6-178.456.3178.7162.22.7112.5E336 I396 S397 R398 L402 E403 L404E336-R400 IonicContact OE1-CZ 3.67Å; E336-R400 IonicContact OE1-NE 3.7Å; E336-R400 IonicContact OE1-NH2 2.78Å; E336-R400 PolarHBondContact OE1-NH2 3.05Å; E336-R400 IonicContact OE2-CZ 3.62Å; E336-R400 IonicContact OE2-NE 2.88Å; E336-R400 PolarHBondContact OE2-NE 3.44Å; E336-R400 IonicContact OE2-NH2 3.46Å; E336-R400 PolarHBondContact OE2-NH2 2.81Å; I396-R400 HydrophobicContact CG2-CB 4.16Å; I396-R400 HydrophobicContact CG2-CG 4.13Å; S397-R400 PolarHBondContact O-N 3.16Å; S397-R400 VanDerWaalsContact OG-CB 3.25Å; S397-R400 WeakPolarHBondContact OG-CB 3.35Å; S397-R400 PolarHBondContact OG-N 2.89Å; R398-R400 VanDerWaalsContact C-N 3.31Å; R398-R400 PolarHBondContact O-N 3.22Å; R400-L402 VanDerWaalsContact C-N 3.33Å; R400-L402 PolarHBondContact O-N 3.14Å; R400-E403 WeakPolarHBondContact CD-OE2 3.38Å; R400-E403 IonicContact CZ-OE2 2.64Å; R400-E403 IonicContact NH1-OE1 3.17Å; R400-E403 PolarHBondContact NH1-OE1 2.94Å; R400-E403 IonicContact NH1-OE2 2.74Å; R400-E403 PolarHBondContact NH1-OE2 2.9Å; R400-E403 PolarHBondContact O-N 2.7Å; R400-L404 HydrophobicContact CG-CD1 4.33Å; R400-L404 WeakPolarHBondContact O-CG 3.38Å; R400-L404 PolarHBondContact O-N 3.2Å; R400-L404 VanDerWaalsContact O-N 3.1Å
401A98.4Very high96.8Very high0 Ų057.9 Ų57.90%030%0.301CS..Hα-helixtrans-60.1-45.7176.500000110.8L339 I383 V385 I396 S397 R398 L404 L405L339-A401 HydrophobicContact CD2-CB 4.34Å; I383-A401 HydrophobicContact CG2-CB 4.5Å; V385-A401 HydrophobicContact CG1-CB 3.64Å; I396-A401 HydrophobicContact CB-CB 4.45Å; I396-A401 HydrophobicContact CG2-CB 3.96Å; S397-A401 PolarHBondContact O-N 3.04Å; R398-A401 PolarHBondContact O-N 2.91Å; A401-L404 PolarHBondContact O-N 2.97Å; A401-L405 WeakPolarHBondContact O-CB 3.48Å; A401-L405 WeakPolarHBondContact O-CG 3.46Å; A401-L405 PolarHBondContact O-N 3.2Å
402L98.5Very high97.2Very high10 Ų1056.7 Ų56.75%0.05229%0.291CS..Hα-helixtrans-66.9-38.8177.2-71.4-176.4000112.8L368 L371 R398 R400 L404 L405 K406 L428 Y431 I433L368-L402 HydrophobicContact CD2-CD1 4.13Å; L368-L402 HydrophobicContact CD2-CD2 3.71Å; L368-L402 HydrophobicContact CD2-CG 4.27Å; L371-L402 HydrophobicContact CD1-CD2 4.48Å; L371-L402 HydrophobicContact CD2-CD2 4.3Å; R398-L402 HydrophobicContact CG-CD1 3.92Å; R398-L402 HydrophobicContact CG-CG 4.35Å; R398-L402 VanDerWaalsContact O-CB 3.27Å; R398-L402 WeakPolarHBondContact O-CB 3.33Å; R398-L402 VanDerWaalsContact O-CG 3.23Å; R398-L402 WeakPolarHBondContact O-CG 3.24Å; R398-L402 PolarHBondContact O-N 2.98Å; R400-L402 VanDerWaalsContact C-N 3.33Å; R400-L402 PolarHBondContact O-N 3.14Å; L402-L404 VanDerWaalsContact C-N 3.29Å; L402-L404 PolarHBondContact O-N 3.21Å; L402-L405 PolarHBondContact O-N 3.19Å; L402-K406 WeakPolarHBondContact O-CB 3.45Å; L402-K406 PolarHBondContact O-N 3.21Å; L402-L428 HydrophobicContact CD2-CD2 4.25Å; L402-Y431 HydrophobicContact CD1-CD1 3.75Å; L402-Y431 HydrophobicContact CD1-CD2 4.31Å; L402-Y431 HydrophobicContact CD1-CG 3.61Å; L402-I433 HydrophobicContact CB-CD1 3.89Å; L402-I433 HydrophobicContact CD1-CD1 4.42Å; L402-I433 HydrophobicContact CD2-CD1 3.83Å; L402-I433 HydrophobicContact CG-CD1 4.26Å
403E98.5Very high97.6Very high121 Ų12163.9 Ų63.957%0.56532%0.317SS*.Hα-helixtrans-57.1-43.3173.2-174.2-167.9177.300111.7E399 R400E399-E403 WeakPolarHBondContact O-CB 3.28Å; E399-E403 PolarHBondContact O-N 2.88Å; R400-E403 WeakPolarHBondContact CD-OE2 3.38Å; R400-E403 IonicContact CZ-OE2 2.64Å; R400-E403 IonicContact NH1-OE1 3.17Å; R400-E403 PolarHBondContact NH1-OE1 2.94Å; R400-E403 IonicContact NH1-OE2 2.74Å; R400-E403 PolarHBondContact NH1-OE2 2.9Å; R400-E403 PolarHBondContact O-N 2.7Å
404L98.6Very high97.9Very high32 Ų3262.2 Ų62.217%0.16831%0.307CS..Hα-helixtrans-71.9-38.1179.8-70.9169.5000112.9E336 L339 I343 R400 A401 L402E336-L404 HydrophobicContact CG-CD1 3.74Å; L339-L404 HydrophobicContact CD2-CB 4.27Å; L339-L404 HydrophobicContact CD2-CD1 3.77Å; L339-L404 HydrophobicContact CG-CD1 4.45Å; I343-L404 HydrophobicContact CD1-CB 3.95Å; R400-L404 HydrophobicContact CG-CD1 4.33Å; R400-L404 WeakPolarHBondContact O-CG 3.38Å; R400-L404 PolarHBondContact O-N 3.2Å; R400-L404 VanDerWaalsContact O-N 3.1Å; A401-L404 PolarHBondContact O-N 2.97Å; L402-L404 VanDerWaalsContact C-N 3.29Å; L402-L404 PolarHBondContact O-N 3.21Å
405L98.6Very high98.1Very high0 Ų058 Ų580%028%0.284CS..Hα-helixtrans-80.3-25.7-179-73.1166.2000113.3L339 I343 L371 F373 I383 A401 L402 L408 L409L339-L405 HydrophobicContact CD1-CD2 4.26Å; L339-L405 HydrophobicContact CD1-CG 4.45Å; I343-L405 HydrophobicContact CD1-CD2 4.13Å; I343-L405 HydrophobicContact CG1-CD2 3.9Å; L371-L405 HydrophobicContact CD1-CD1 4.08Å; L371-L405 HydrophobicContact CD2-CD1 4.11Å; F373-L405 HydrophobicContact CE2-CD2 4.28Å; F373-L405 HydrophobicContact CZ-CD1 4.49Å; F373-L405 HydrophobicContact CZ-CD2 3.99Å; I383-L405 HydrophobicContact CD1-CD1 3.89Å; I383-L405 HydrophobicContact CD1-CD2 4.37Å; A401-L405 WeakPolarHBondContact O-CB 3.48Å; A401-L405 WeakPolarHBondContact O-CG 3.46Å; A401-L405 PolarHBondContact O-N 3.2Å; L402-L405 PolarHBondContact O-N 3.19Å; L405-L408 WeakPolarHBondContact O-CB 3.38Å; L405-L408 PolarHBondContact O-N 3.34Å; L405-L409 HydrophobicContact CB-CD1 3.92Å; L405-L409 HydrophobicContact CB-CG 4.28Å; L405-L409 WeakPolarHBondContact O-CG 3.36Å; L405-L409 PolarHBondContact O-N 2.69Å
406K98.6Very high98.2Very high77 Ų7755.9 Ų55.934%0.33527%0.274SS..Hα-helixtrans-50-48.1-174.2176.9169-175155.20113.9L402 L408 L409 E410 G432 I433L402-K406 WeakPolarHBondContact O-CB 3.45Å; L402-K406 PolarHBondContact O-N 3.21Å; K406-L408 VanDerWaalsContact C-N 3.28Å; K406-L408 PolarHBondContact O-N 2.88Å; K406-L409 PolarHBondContact O-N 3.22Å; K406-E410 WeakPolarHBondContact CE-OE1 3.3Å; K406-E410 WeakPolarHBondContact CE-OE2 3.14Å; K406-E410 HydrophobicContact CG-CG 4.08Å; K406-E410 IonicContact NZ-OE1 2.57Å; K406-E410 WeakPolarHBondContact O-CB 3.35Å; K406-E410 WeakPolarHBondContact O-CG 3.43Å; K406-E410 PolarHBondContact O-N 3.45Å; K406-G432 PolarHBondContact NZ-O 3.03Å; K406-I433 HydrophobicContact CB-CD1 4.15Å; K406-I433 HydrophobicContact CB-CG1 4.24Å; K406-I433 HydrophobicContact CD-CG1 4.02Å; K406-I433 HydrophobicContact CG-CG1 4.07Å
407P98.5Very high98.3Very high90 Ų9055.2 Ų55.258%0.58427%0.271SS*.Hα-helixtrans-57.8-38.4178.6-25.235.4000113.7D411P407-D411 WeakPolarHBondContact O-CB 3.34Å; P407-D411 PolarHBondContact O-N 2.74Å
408L98.4Very high98.3Very high6 Ų652.1 Ų52.13%0.03125%0.249CC..Hα-helixtrans-72.8-43.8178.5177.871.2000111.7L346 E347 F352 L405 K406 D411 A414 K416L346-L408 HydrophobicContact CB-CD1 4.34Å; L346-L408 HydrophobicContact CB-CD2 3.56Å; L346-L408 HydrophobicContact CD1-CD2 3.67Å; L346-L408 HydrophobicContact CG-CD2 4.23Å; E347-L408 HydrophobicContact CG-CD1 3.89Å; F352-L408 HydrophobicContact CE1-CD1 4.1Å; F352-L408 HydrophobicContact CE1-CG 4.42Å; F352-L408 HydrophobicContact CZ-CD1 4.23Å; F352-L408 HydrophobicContact CZ-CD2 4.08Å; F352-L408 HydrophobicContact CZ-CG 4.05Å; L405-L408 WeakPolarHBondContact O-CB 3.38Å; L405-L408 PolarHBondContact O-N 3.34Å; K406-L408 VanDerWaalsContact C-N 3.28Å; K406-L408 PolarHBondContact O-N 2.88Å; L408-D411 PolarHBondContact O-N 3.36Å; L408-A414 HydrophobicContact CD1-CB 3.89Å; L408-K416 PolarHBondContact O-NZ 3.35Å
409L98.5Very high98.4Very high0 Ų050.8 Ų50.80%025%0.245CC..Hα-helixtrans-69.1-32.8-178.1-64.9177000112.4F354 L371 F373 L405 K406 K416 L428 I433 L435 R436F354-L409 HydrophobicContact CD2-CD2 4.36Å; F354-L409 HydrophobicContact CE2-CD2 4.11Å; F354-L409 HydrophobicContact CZ-CD2 4.23Å; L371-L409 HydrophobicContact CD2-CD1 4.48Å; F373-L409 HydrophobicContact CE1-CD2 4.27Å; F373-L409 HydrophobicContact CZ-CD2 4.4Å; L405-L409 HydrophobicContact CB-CD1 3.92Å; L405-L409 HydrophobicContact CB-CG 4.28Å; L405-L409 WeakPolarHBondContact O-CG 3.36Å; L405-L409 PolarHBondContact O-N 2.69Å; K406-L409 PolarHBondContact O-N 3.22Å; L409-K416 PolarHBondContact O-NZ 3.37Å; L409-L428 HydrophobicContact CD1-CD1 4.04Å; L409-L428 HydrophobicContact CD1-CD2 4.09Å; L409-I433 HydrophobicContact CB-CG2 4.04Å; L409-I433 HydrophobicContact CD1-CG2 4.32Å; L409-L435 HydrophobicContact CB-CD1 4.32Å; L409-L435 HydrophobicContact CD2-CD1 4.1Å; L409-R436 PolarHBondContact O-N 2.75Å
410E98.6Very high98.3Very high58 Ų5847.4 Ų47.427%0.27123%0.231SC..THydrogen-bonded Turntrans-87.9-4.7177.5-59.9-165.8149.500113.9K406 E412 I433 E434 R436K406-E410 WeakPolarHBondContact CE-OE1 3.3Å; K406-E410 WeakPolarHBondContact CE-OE2 3.14Å; K406-E410 HydrophobicContact CG-CG 4.08Å; K406-E410 IonicContact NZ-OE1 2.57Å; K406-E410 WeakPolarHBondContact O-CB 3.35Å; K406-E410 WeakPolarHBondContact O-CG 3.43Å; K406-E410 PolarHBondContact O-N 3.45Å; E410-E412 PolarHBondContact O-N 2.93Å; E410-I433 HydrophobicContact CG-CG2 4.08Å; E410-I433 WeakPolarHBondContact OE1-CA 3.46Å; E410-E434 WeakPolarHBondContact CG-O 3.15Å; E410-E434 PolarHBondContact OE1-N 3.48Å; E410-R436 WeakPolarHBondContact O-CD 3.42Å
411D98.4Very high98.3Very high71 Ų7144 Ų4438%0.3822%0.218SC..  trans-78.5118.5175.4-172.92000111.3P407 L408 K413 A414 K416P407-D411 WeakPolarHBondContact O-CB 3.34Å; P407-D411 PolarHBondContact O-N 2.74Å; L408-D411 PolarHBondContact O-N 3.36Å; D411-K413 PolarHBondContact O-N 2.86Å; D411-K413 WeakPolarHBondContact OD1-CB 3.24Å; D411-K413 PolarHBondContact OD1-N 3.5Å; D411-A414 HydrophobicContact CB-CB 4.03Å; D411-A414 PolarHBondContact O-N 2.94Å; D411-K416 PolarHBondContact O-NZ 2.98Å
412E97.1Very high98.3Very high119 Ų11944.5 Ų44.556%0.55622%0.221SC*.SBendtrans-65.7-23.2175.6-72.4168.9-156.900113.2E410 R436E410-E412 PolarHBondContact O-N 2.93Å; E412-R436 HydrophobicContact CG-CB 3.7Å; E412-R436 HydrophobicContact CG-CG 4.22Å; E412-R436 VanDerWaalsContact OE1-CD 3.29Å; E412-R436 WeakPolarHBondContact OE1-CD 3.25Å; E412-R436 IonicContact OE1-CZ 3.89Å; E412-R436 IonicContact OE1-NE 3.72Å; E412-R436 IonicContact OE1-NH1 2.83Å; E412-R436 PolarHBondContact OE1-NH1 3.49Å
413K97.9Very high98.3Very high182 Ų18245.7 Ų45.779%0.79123%0.225SC*.SBendtrans-86.7-23.2-179.6-62.2179.8-178.2174.80113.1D411 L415D411-K413 PolarHBondContact O-N 2.86Å; D411-K413 WeakPolarHBondContact OD1-CB 3.24Å; D411-K413 PolarHBondContact OD1-N 3.5Å; K413-L415 PolarHBondContact O-N 3.06Å
414A98Very high98.2Very high11 Ų1140 Ų409%0.09120%0.198CC..SBendtrans-76.1101.5169.900000107.7F352 L408 D411 K416F352-A414 HydrophobicContact CE1-CB 4.21Å; L408-A414 HydrophobicContact CD1-CB 3.89Å; D411-A414 HydrophobicContact CB-CB 4.03Å; D411-A414 PolarHBondContact O-N 2.94Å; A414-K416 WeakPolarHBondContact O-CD 3.35Å; A414-K416 WeakPolarHBondContact O-CE 3.48Å; A414-K416 PolarHBondContact O-NZ 3Å
415L98.5Very high98.2Very high67 Ų6739.4 Ų39.435%0.35119%0.194SC..  trans-79.8132.6-174.5-56.1-176000111V351 F352 K413 G437 A439V351-L415 WeakPolarHBondContact CA-O 3.43Å; V351-L415 HydrophobicContact CB-CB 4.31Å; V351-L415 HydrophobicContact CG2-CB 4.26Å; F352-L415 PolarHBondContact N-O 3.37Å; F352-L415 VanDerWaalsContact N-O 3.12Å; K413-L415 PolarHBondContact O-N 3.06Å; L415-G437 CarbonylContact C-O 3.07Å; L415-G437 WeakPolarHBondContact CA-O 3.38Å; L415-A439 HydrophobicContact CB-CB 3.93Å; L415-A439 HydrophobicContact CD1-CB 4.46Å; L415-A439 HydrophobicContact CD2-CB 4.17Å; L415-A439 HydrophobicContact CG-CB 4.4Å
416K98.7Very high98.1Very high0 Ų039.5 Ų39.50%020%0.195CC..EExtended strand (participates in β ladder)trans-114.8139.9178.1-62.298.9-171.8173.80111F352 F354 L408 L409 D411 A414 L435 R436 G437 A439 F440F352-K416 HydrophobicContact CD2-CG 4.12Å; F352-K416 HydrophobicContact CE1-CG 4.32Å; F352-K416 HydrophobicContact CE2-CD 4.41Å; F352-K416 HydrophobicContact CE2-CG 3.44Å; F352-K416 VanDerWaalsContact CE2-CG 3.44Å; F352-K416 HydrophobicContact CZ-CD 4.1Å; F352-K416 VanDerWaalsContact CZ-CE 3.41Å; F352-K416 HydrophobicContact CZ-CG 3.57Å; F352-K416 WeakPolarHBondContact O-CA 3.23Å; F354-K416 HydrophobicContact CB-CB 4.48Å; F354-K416 HydrophobicContact CB-CG 4.43Å; L408-K416 PolarHBondContact O-NZ 3.35Å; L409-K416 PolarHBondContact O-NZ 3.37Å; D411-K416 PolarHBondContact O-NZ 2.98Å; A414-K416 WeakPolarHBondContact O-CD 3.35Å; A414-K416 WeakPolarHBondContact O-CE 3.48Å; A414-K416 PolarHBondContact O-NZ 3Å; K416-L435 HydrophobicContact CD-CD1 4.4Å; K416-R436 WeakPolarHBondContact CD-O 3.12Å; K416-R436 WeakPolarHBondContact CE-O 3.23Å; K416-R436 PolarHBondContact NZ-O 2.68Å; K416-G437 PolarHBondContact N-O 2.78Å; K416-A439 PolarHBondContact O-N 2.68Å; K416-F440 PolarHBondContact O-N 3.34Å
417V98.8Very high98.1Very high0 Ų035.9 Ų35.90%018%0.179CC..EExtended strand (participates in β ladder)trans-112.1147.9161.860.20000108.9V351 F352 A353 F354 F440 T442 L506 H509V351-V417 HydrophobicContact CG2-CB 4.17Å; V351-V417 HydrophobicContact CG2-CG1 4.03Å; F352-V417 PolarHBondContact O-N 3.34Å; A353-V417 CarbonylContact C-O 3.58Å; A353-V417 WeakPolarHBondContact CA-O 3.18Å; A353-V417 HydrophobicContact CB-CG1 4.02Å; F354-V417 PolarHBondContact N-O 3.22Å; V417-F440 WeakPolarHBondContact CA-O 3.15Å; V417-F440 HydrophobicContact CB-CB 3.89Å; V417-F440 HydrophobicContact CB-CD2 4.34Å; V417-F440 HydrophobicContact CG2-CB 3.58Å; V417-T442 HydrophobicContact CG2-CG2 4.08Å; V417-L506 HydrophobicContact CG1-CD1 4.01Å; V417-H509 HydrophobicContact CG2-CB 3.69Å
418G98.5Very high98.1Very high0 Ų031.6 Ų31.60%015%0.151CC..EExtended strand (participates in β ladder)trans-156.2-167.8173.400000110.9F440 D441 T442 T505G418-F440 PolarHBondContact N-O 3.07Å; G418-D441 CarbonylContact O-C 3.35Å; G418-D441 WeakPolarHBondContact O-CA 3.22Å; G418-T442 PolarHBondContact O-N 2.85Å; G418-T442 PolarHBondContact O-OG1 2.98Å; G418-T505 VanDerWaalsContact CA-CG2 3.49Å
419Q98.3Very high98Very high27 Ų2732.3 Ų32.313%0.12616%0.158CC..SBendtrans-123113.8172.817182.316.600106.6T442 M443 H456 M458 T505Q419-T442 WeakPolarHBondContact CB-OG1 3.28Å; Q419-T442 PolarHBondContact OE1-OG1 2.95Å; Q419-M443 VanDerWaalsContact OE1-N 3.14Å; Q419-H456 PolarHBondContact NE2-O 3.33Å; Q419-M458 HydrophobicContact CG-CB 4.2Å; Q419-T505 HydrophobicContact CB-CG2 4.31Å
420N97.7Very high97.9Very high53 Ų5334.7 Ų34.728%0.28317%0.17SC..SBendtrans60.344.7-175.5-17441.6000114.5K422 Y423 D441 M443N420-K422 PolarHBondContact O-N 3.07Å; N420-Y423 WeakPolarHBondContact O-CB 3.38Å; N420-Y423 PolarHBondContact O-N 3.49Å; N420-D441 WeakPolarHBondContact CA-OD2 3.45Å; N420-D441 VanDerWaalsContact N-CG 3.3Å; N420-D441 PolarHBondContact N-OD1 2.84Å; N420-D441 PolarHBondContact N-OD2 2.82Å; N420-M443 HydrophobicContact CB-CE 3.73Å; N420-M443 HydrophobicContact CB-SD 4.27Å
421L98Very high97.9Very high0 Ų034.9 Ų34.90%017%0.169CC..Hα-helixtrans-58.6-13.4-177.6-78.1-179000115.1F354 Y423 D424 R425 L435 I438 D441F354-L421 HydrophobicContact CD1-CD2 3.85Å; F354-L421 WeakPolarHBondContact O-CD2 3.1Å; L421-Y423 PolarHBondContact O-N 3.46Å; L421-D424 WeakPolarHBondContact CA-OD2 3.42Å; L421-D424 HydrophobicContact CD2-CB 4.07Å; L421-D424 PolarHBondContact O-N 2.88Å; L421-R425 WeakPolarHBondContact O-CB 3.47Å; L421-R425 PolarHBondContact O-N 3.5Å; L421-L435 HydrophobicContact CD2-CD2 4.42Å; L421-I438 HydrophobicContact CB-CD1 4.41Å; L421-I438 HydrophobicContact CB-CG2 4.21Å; L421-I438 HydrophobicContact CD1-CG1 4.39Å; L421-I438 HydrophobicContact CD1-CG2 3.81Å; L421-D441 PolarHBondContact N-OD2 2.68Å
422K97.8Very high97.8Very high11 Ų1133.9 Ų33.95%0.04818%0.176CC..Hα-helixtrans-56.1-39.4168.7-173-163.155.11500111.4N420 G426 V534 L537 S538 E541 Y659N420-K422 PolarHBondContact O-N 3.07Å; K422-G426 PolarHBondContact O-N 3.1Å; K422-V534 HydrophobicContact CB-CG1 3.96Å; K422-L537 HydrophobicContact CD-CB 3.76Å; K422-L537 HydrophobicContact CD-CD1 4.5Å; K422-L537 HydrophobicContact CG-CB 4.44Å; K422-S538 PolarHBondContact O-OG 2.9Å; K422-E541 IonicContact NZ-OE1 2.93Å; K422-E541 PolarHBondContact NZ-OE1 3.18Å; K422-E541 IonicContact NZ-OE2 2.64Å; K422-E541 PolarHBondContact NZ-OE2 2.9Å; K422-Y659 PolarHBondContact NZ-O 3.17Å
423Y97.5Very high97.8Very high35 Ų3528.4 Ų28.414%0.13715%0.15CC..Hα-helixtrans-67.2-53.2177.2175.3-95000110.8T358 S360 L361 N363 N420 L421 R425 G426 I427T358-Y423 WeakPolarHBondContact CB-OH 3.19Å; T358-Y423 HydrophobicContact CG2-CE1 4.03Å; T358-Y423 WeakPolarHBondContact CG2-OH 3.35Å; T358-Y423 PolarHBondContact OG1-OH 2.86Å; S360-Y423 PolarHBondContact O-OH 3.11Å; L361-Y423 WeakPolarHBondContact O-CE2 3.36Å; N363-Y423 HydrophobicContact CB-CD2 3.88Å; N363-Y423 HydrophobicContact CB-CE2 3.92Å; N420-Y423 WeakPolarHBondContact O-CB 3.38Å; N420-Y423 PolarHBondContact O-N 3.49Å; L421-Y423 PolarHBondContact O-N 3.46Å; Y423-R425 VanDerWaalsContact C-N 3.29Å; Y423-R425 PolarHBondContact O-N 2.94Å; Y423-G426 CarbonylContact O-C 3.44Å; Y423-G426 VanDerWaalsContact O-CA 3.3Å; Y423-G426 WeakPolarHBondContact O-CA 3.24Å; Y423-G426 PolarHBondContact O-N 2.9Å; Y423-I427 HydrophobicContact CD1-CG1 4.03Å; Y423-I427 HydrophobicContact CE1-CD1 4.06Å; Y423-I427 HydrophobicContact CE1-CG1 3.56Å; Y423-I427 HydrophobicContact CE2-CD1 4.16Å; Y423-I427 HydrophobicContact CE2-CG1 4.35Å; Y423-I427 PolarHBondContact O-N 2.91Å
424D98.3Very high97.8Very high2 Ų222.7 Ų22.71%0.01113%0.126CC..Hα-helixtrans-58.6-40.4-178.9-53.2-90.3000112.3F354 T356 L421 G426 I427 L428F354-D424 HydrophobicContact CE1-CB 3.94Å; T356-D424 WeakPolarHBondContact CB-OD1 3.47Å; T356-D424 HydrophobicContact CG2-CB 4.12Å; T356-D424 PolarHBondContact N-OD1 3.07Å; T356-D424 PolarHBondContact OG1-OD1 3.23Å; L421-D424 WeakPolarHBondContact CA-OD2 3.42Å; L421-D424 HydrophobicContact CD2-CB 4.07Å; L421-D424 PolarHBondContact O-N 2.88Å; D424-G426 VanDerWaalsContact C-N 3.3Å; D424-G426 PolarHBondContact O-N 2.92Å; D424-I427 PolarHBondContact O-N 3.36Å; D424-L428 WeakPolarHBondContact O-CG 3.45Å; D424-L428 PolarHBondContact O-N 2.92Å
425R97.9Very high97.8Very high19 Ų1922.1 Ų22.17%0.07212%0.122CC..Hα-helixtrans-57.8-43.8171.2-179.6179.9-169.9143.1-1.2111.8L421 Y423 I427 L428 A429 E434 L435 I438 P535L421-R425 WeakPolarHBondContact O-CB 3.47Å; L421-R425 PolarHBondContact O-N 3.5Å; Y423-R425 VanDerWaalsContact C-N 3.29Å; Y423-R425 PolarHBondContact O-N 2.94Å; R425-I427 VanDerWaalsContact C-N 3.34Å; R425-L428 PolarHBondContact O-N 3.18Å; R425-A429 WeakPolarHBondContact O-CB 3.16Å; R425-A429 PolarHBondContact O-N 3.35Å; R425-E434 IonicContact CZ-OE1 3.91Å; R425-E434 VanDerWaalsContact CZ-OE1 3.29Å; R425-E434 IonicContact NE-OE1 3.16Å; R425-E434 PolarHBondContact NE-OE1 2.99Å; R425-E434 IonicContact NH2-OE1 2.7Å; R425-E434 PolarHBondContact NH2-OE1 2.91Å; R425-L435 HydrophobicContact CB-CB 4.11Å; R425-L435 HydrophobicContact CB-CD2 4.2Å; R425-L435 HydrophobicContact CG-CB 4.1Å; R425-I438 HydrophobicContact CB-CD1 4.48Å; R425-P535 VanDerWaalsContact NH1-CG 3.28Å
426G96.5Very high97.8Very high2 Ų224 Ų242%0.02112%0.124CC..Hα-helixtrans-61.8-41.7176.800000112.4K422 Y423 D424 A429 N430K422-G426 PolarHBondContact O-N 3.1Å; Y423-G426 CarbonylContact O-C 3.44Å; Y423-G426 VanDerWaalsContact O-CA 3.3Å; Y423-G426 WeakPolarHBondContact O-CA 3.24Å; Y423-G426 PolarHBondContact O-N 2.9Å; D424-G426 VanDerWaalsContact C-N 3.3Å; D424-G426 PolarHBondContact O-N 2.92Å; G426-A429 PolarHBondContact O-N 2.79Å; G426-N430 PolarHBondContact O-N 3.02Å
427I97.9Very high97.8Very high0 Ų024.7 Ų24.70%013%0.131CC..Hα-helixtrans-62.6-51.7175.6-61.6-58.7000110.9T358 N363 A366 L368 Y423 D424 R425 A429 N430 Y431T358-I427 HydrophobicContact CG2-CD1 3.91Å; T358-I427 HydrophobicContact CG2-CG1 3.92Å; T358-I427 HydrophobicContact CG2-CG2 4.08Å; N363-I427 HydrophobicContact CB-CD1 4.44Å; A366-I427 HydrophobicContact CB-CD1 3.7Å; L368-I427 HydrophobicContact CB-CG2 4.06Å; L368-I427 HydrophobicContact CD1-CG2 3.86Å; Y423-I427 HydrophobicContact CD1-CG1 4.03Å; Y423-I427 HydrophobicContact CE1-CD1 4.06Å; Y423-I427 HydrophobicContact CE1-CG1 3.56Å; Y423-I427 HydrophobicContact CE2-CD1 4.16Å; Y423-I427 HydrophobicContact CE2-CG1 4.35Å; Y423-I427 PolarHBondContact O-N 2.91Å; D424-I427 PolarHBondContact O-N 3.36Å; R425-I427 VanDerWaalsContact C-N 3.34Å; I427-A429 PolarHBondContact O-N 3.47Å; I427-N430 VanDerWaalsContact O-CB 3.26Å; I427-N430 WeakPolarHBondContact O-CB 3.36Å; I427-N430 PolarHBondContact O-N 2.89Å; I427-Y431 HydrophobicContact CG2-CE2 4.39Å; I427-Y431 VanDerWaalsContact O-CD2 3.26Å; I427-Y431 WeakPolarHBondContact O-CD2 3.21Å
428L98.4Very high97.7Very high0 Ų026.2 Ų26.20%014%0.139CC..Hα-helixtrans-60.9-33.9179.2-71.7176.5000112.6F354 L371 L402 L409 D424 R425 N430 Y431 G432 I433 L435F354-L428 HydrophobicContact CE1-CD1 3.8Å; F354-L428 HydrophobicContact CZ-CD1 3.75Å; F354-L428 HydrophobicContact CZ-CG 4.43Å; L371-L428 HydrophobicContact CD2-CD2 4.34Å; L402-L428 HydrophobicContact CD2-CD2 4.25Å; L409-L428 HydrophobicContact CD1-CD1 4.04Å; L409-L428 HydrophobicContact CD1-CD2 4.09Å; D424-L428 WeakPolarHBondContact O-CG 3.45Å; D424-L428 PolarHBondContact O-N 2.92Å; R425-L428 PolarHBondContact O-N 3.18Å; L428-N430 PolarHBondContact O-N 2.85Å; L428-Y431 CarbonylContact O-C 3.47Å; L428-Y431 WeakPolarHBondContact O-CA 3.45Å; L428-Y431 PolarHBondContact O-N 3.17Å; L428-G432 PolarHBondContact O-N 3.13Å; L428-I433 CarbonylContact C-O 3.53Å; L428-I433 VanDerWaalsContact C-O 3.22Å; L428-I433 HydrophobicContact CB-CB 4.11Å; L428-I433 HydrophobicContact CB-CG2 4.18Å; L428-I433 HydrophobicContact CD1-CG2 4.33Å; L428-I433 HydrophobicContact CD2-CD1 4.48Å; L428-I433 HydrophobicContact CD2-CG2 4.45Å; L428-I433 PolarHBondContact O-N 3.2Å; L428-I433 VanDerWaalsContact O-N 3.12Å; L428-L435 HydrophobicContact CD1-CB 3.9Å; L428-L435 HydrophobicContact CD1-CD1 3.87Å; L428-L435 HydrophobicContact CD1-CD2 4.29Å; L428-L435 HydrophobicContact CD1-CG 4.23Å
429A97.1Very high97.7Very high21 Ų2127.3 Ų27.317%0.17415%0.148CC..Hα-helixtrans-64-24.317500000113.2R425 G426 I427 Y431 G432 I433 R542R425-A429 WeakPolarHBondContact O-CB 3.16Å; R425-A429 PolarHBondContact O-N 3.35Å; G426-A429 PolarHBondContact O-N 2.79Å; I427-A429 PolarHBondContact O-N 3.47Å; A429-Y431 PolarHBondContact O-N 2.73Å; A429-G432 PolarHBondContact O-N 3.27Å; A429-I433 PolarHBondContact N-O 2.8Å; A429-R542 PolarHBondContact O-NH2 2.7Å
430N96.5Very high97.7Very high50 Ų5027.4 Ų27.427%0.26715%0.148SC..THydrogen-bonded Turntrans-66.2-20.2171.4-63.3-25.7000112.8N363 G426 I427 L428 R542N363-N430 PolarHBondContact O-ND2 3.04Å; G426-N430 PolarHBondContact O-N 3.02Å; I427-N430 VanDerWaalsContact O-CB 3.26Å; I427-N430 WeakPolarHBondContact O-CB 3.36Å; I427-N430 PolarHBondContact O-N 2.89Å; L428-N430 PolarHBondContact O-N 2.85Å; N430-R542 PolarHBondContact OD1-NH1 2.9Å; N430-R542 PolarHBondContact OD1-NH2 3.19Å; N430-R542 VanDerWaalsContact OD1-NH2 3.1Å
431Y97.2Very high97.8Very high62 Ų6225 Ų2524%0.24314%0.135CC..THydrogen-bonded Turntrans-109.414.2179.3-57.6-86.5000112.6N367 L368 R398 L402 I427 L428 A429 I433N367-Y431 WeakPolarHBondContact CA-OH 3.21Å; L368-Y431 HydrophobicContact CB-CD2 4.4Å; L368-Y431 HydrophobicContact CB-CE2 3.61Å; L368-Y431 PolarHBondContact N-OH 3.19Å; R398-Y431 HydrophobicContact CG-CE1 4.5Å; R398-Y431 PolarHBondContact NH1-OH 3.09Å; R398-Y431 VanDerWaalsContact NH1-OH 3.11Å; L402-Y431 HydrophobicContact CD1-CD1 3.75Å; L402-Y431 HydrophobicContact CD1-CD2 4.31Å; L402-Y431 HydrophobicContact CD1-CG 3.61Å; I427-Y431 HydrophobicContact CG2-CE2 4.39Å; I427-Y431 VanDerWaalsContact O-CD2 3.26Å; I427-Y431 WeakPolarHBondContact O-CD2 3.21Å; L428-Y431 CarbonylContact O-C 3.47Å; L428-Y431 WeakPolarHBondContact O-CA 3.45Å; L428-Y431 PolarHBondContact O-N 3.17Å; A429-Y431 PolarHBondContact O-N 2.73Å; Y431-I433 VanDerWaalsContact C-N 3.32Å; Y431-I433 PolarHBondContact O-N 2.97Å
432G96.9Very high97.8Very high50 Ų5025 Ų2552%0.51514%0.135SC..THydrogen-bonded Turntrans66.432.3178.400000113.7K406 L428 A429K406-G432 PolarHBondContact NZ-O 3.03Å; L428-G432 PolarHBondContact O-N 3.13Å; A429-G432 PolarHBondContact O-N 3.27Å
433I98.4Very high97.8Very high5 Ų526.1 Ų26.13%0.02614%0.141CC..  trans-113.6124.5173.1-66.3171.8000108.5L402 K406 L409 E410 L428 A429 Y431L402-I433 HydrophobicContact CB-CD1 3.89Å; L402-I433 HydrophobicContact CD1-CD1 4.42Å; L402-I433 HydrophobicContact CD2-CD1 3.83Å; L402-I433 HydrophobicContact CG-CD1 4.26Å; K406-I433 HydrophobicContact CB-CD1 4.15Å; K406-I433 HydrophobicContact CB-CG1 4.24Å; K406-I433 HydrophobicContact CD-CG1 4.02Å; K406-I433 HydrophobicContact CG-CG1 4.07Å; L409-I433 HydrophobicContact CB-CG2 4.04Å; L409-I433 HydrophobicContact CD1-CG2 4.32Å; E410-I433 HydrophobicContact CG-CG2 4.08Å; E410-I433 WeakPolarHBondContact OE1-CA 3.46Å; L428-I433 CarbonylContact C-O 3.53Å; L428-I433 VanDerWaalsContact C-O 3.22Å; L428-I433 HydrophobicContact CB-CB 4.11Å; L428-I433 HydrophobicContact CB-CG2 4.18Å; L428-I433 HydrophobicContact CD1-CG2 4.33Å; L428-I433 HydrophobicContact CD2-CD1 4.48Å; L428-I433 HydrophobicContact CD2-CG2 4.45Å; L428-I433 PolarHBondContact O-N 3.2Å; L428-I433 VanDerWaalsContact O-N 3.12Å; A429-I433 PolarHBondContact N-O 2.8Å; Y431-I433 VanDerWaalsContact C-N 3.32Å; Y431-I433 PolarHBondContact O-N 2.97Å
434E97.6Very high97.9Very high61 Ų6124.4 Ų24.429%0.28513%0.134SC..  trans-92.8104175.6-177.262.8-164.500110.1E410 R425 R436 R539E410-E434 WeakPolarHBondContact CG-O 3.15Å; E410-E434 PolarHBondContact OE1-N 3.48Å; R425-E434 IonicContact CZ-OE1 3.91Å; R425-E434 VanDerWaalsContact CZ-OE1 3.29Å; R425-E434 IonicContact NE-OE1 3.16Å; R425-E434 PolarHBondContact NE-OE1 2.99Å; R425-E434 IonicContact NH2-OE1 2.7Å; R425-E434 PolarHBondContact NH2-OE1 2.91Å; E434-R436 HydrophobicContact CG-CG 4.06Å; E434-R436 WeakPolarHBondContact O-CG 3.22Å; E434-R436 PolarHBondContact O-N 3.46Å; E434-R436 VanDerWaalsContact O-N 3.1Å; E434-R539 IonicContact OE1-NH1 2.64Å
435L98.4Very high97.9Very high0 Ų024.3 Ų24.30%013%0.134CC..  trans-65.2114.8177.8-173.963.6000110.8F354 L409 K416 L421 R425 L428 I438F354-L435 HydrophobicContact CD1-CD1 4.18Å; F354-L435 HydrophobicContact CD1-CD2 4.04Å; F354-L435 HydrophobicContact CE1-CD1 4.03Å; F354-L435 HydrophobicContact CE1-CD2 3.86Å; L409-L435 HydrophobicContact CB-CD1 4.32Å; L409-L435 HydrophobicContact CD2-CD1 4.1Å; K416-L435 HydrophobicContact CD-CD1 4.4Å; L421-L435 HydrophobicContact CD2-CD2 4.42Å; R425-L435 HydrophobicContact CB-CB 4.11Å; R425-L435 HydrophobicContact CB-CD2 4.2Å; R425-L435 HydrophobicContact CG-CB 4.1Å; L428-L435 HydrophobicContact CD1-CB 3.9Å; L428-L435 HydrophobicContact CD1-CD1 3.87Å; L428-L435 HydrophobicContact CD1-CD2 4.29Å; L428-L435 HydrophobicContact CD1-CG 4.23Å; L435-I438 HydrophobicContact CD2-CD1 3.91Å; L435-I438 HydrophobicContact CD2-CG1 4.01Å; L435-I438 HydrophobicContact CG-CD1 4.11Å; L435-I438 HydrophobicContact CG-CG1 3.99Å
436R97.9Very high97.9Very high107 Ų10723.5 Ų23.540%0.40413%0.131SC..  trans-119.3167177.7-57-164.5-168.9176.4-2.6111.3L409 E410 E412 K416 E434 I438L409-R436 PolarHBondContact O-N 2.75Å; E410-R436 WeakPolarHBondContact O-CD 3.42Å; E412-R436 HydrophobicContact CG-CB 3.7Å; E412-R436 HydrophobicContact CG-CG 4.22Å; E412-R436 VanDerWaalsContact OE1-CD 3.29Å; E412-R436 WeakPolarHBondContact OE1-CD 3.25Å; E412-R436 IonicContact OE1-CZ 3.89Å; E412-R436 IonicContact OE1-NE 3.72Å; E412-R436 IonicContact OE1-NH1 2.83Å; E412-R436 PolarHBondContact OE1-NH1 3.49Å; K416-R436 WeakPolarHBondContact CD-O 3.12Å; K416-R436 WeakPolarHBondContact CE-O 3.23Å; K416-R436 PolarHBondContact NZ-O 2.68Å; E434-R436 HydrophobicContact CG-CG 4.06Å; E434-R436 WeakPolarHBondContact O-CG 3.22Å; E434-R436 PolarHBondContact O-N 3.46Å; E434-R436 VanDerWaalsContact O-N 3.1Å; R436-I438 VanDerWaalsContact C-N 3.3Å
437G97.7Very high98Very high14 Ų1423.6 Ų23.614%0.14413%0.131CC..  trans73.221.3-177.300000113.4L415 K416 A439L415-G437 CarbonylContact C-O 3.07Å; L415-G437 WeakPolarHBondContact CA-O 3.38Å; K416-G437 PolarHBondContact N-O 2.78Å; G437-A439 PolarHBondContact O-N 3.24Å
438I98Very high98Very high31 Ų3123.7 Ų23.716%0.15913%0.131CC..EExtended strand (participates in β ladder)trans-64.499.1171.2-58.8176.6000107.7L421 R425 L435 R436 M531 V534L421-I438 HydrophobicContact CB-CD1 4.41Å; L421-I438 HydrophobicContact CB-CG2 4.21Å; L421-I438 HydrophobicContact CD1-CG1 4.39Å; L421-I438 HydrophobicContact CD1-CG2 3.81Å; R425-I438 HydrophobicContact CB-CD1 4.48Å; L435-I438 HydrophobicContact CD2-CD1 3.91Å; L435-I438 HydrophobicContact CD2-CG1 4.01Å; L435-I438 HydrophobicContact CG-CD1 4.11Å; L435-I438 HydrophobicContact CG-CG1 3.99Å; R436-I438 VanDerWaalsContact C-N 3.3Å; I438-M531 HydrophobicContact CG2-CE 3.63Å; I438-V534 HydrophobicContact CD1-CG1 4.24Å; I438-V534 HydrophobicContact CG2-CG1 4.49Å
439A98Very high98Very high24 Ų2424.2 Ų24.220%0.19813%0.134CC..EExtended strand (participates in β ladder)trans-96.2-36.4-17500000111.6L415 K416 G437L415-A439 HydrophobicContact CB-CB 3.93Å; L415-A439 HydrophobicContact CD1-CB 4.46Å; L415-A439 HydrophobicContact CD2-CB 4.17Å; L415-A439 HydrophobicContact CG-CB 4.4Å; K416-A439 PolarHBondContact O-N 2.68Å; G437-A439 PolarHBondContact O-N 3.24Å
440F98.7Very high97.9Very high29 Ų2925.2 Ų25.213%0.12714%0.136CC..EExtended strand (participates in β ladder)trans-142.2151.5-175.4-51.3-74.8000111.8V351 K416 V417 G418 H509 W513 F526V351-F440 HydrophobicContact CG2-CD2 4.09Å; V351-F440 HydrophobicContact CG2-CE2 4.25Å; K416-F440 PolarHBondContact O-N 3.34Å; V417-F440 WeakPolarHBondContact CA-O 3.15Å; V417-F440 HydrophobicContact CB-CB 3.89Å; V417-F440 HydrophobicContact CB-CD2 4.34Å; V417-F440 HydrophobicContact CG2-CB 3.58Å; G418-F440 PolarHBondContact N-O 3.07Å; F440-H509 AromaticContact CD1-CE1 3.53Å; F440-H509 AromaticContact CD2-CE1 3.37Å; F440-H509 WeakPolarHBondContact CD2-CE1 3.3Å; F440-H509 AromaticContact CD2-NE2 3.78Å; F440-H509 AromaticContact CE1-CE1 3.85Å; F440-H509 AromaticContact CE2-CE1 3.69Å; F440-H509 AromaticContact CE2-NE2 3.9Å; F440-H509 AromaticContact CG-CE1 3.29Å; F440-H509 WeakPolarHBondContact CG-CE1 3.49Å; F440-H509 AromaticContact CG-ND1 3.66Å; F440-H509 AromaticContact CZ-CE1 3.92Å; F440-W513 HydrophobicContact CD1-CD2 4.1Å; F440-W513 AromaticContact CD1-CE3 3.93Å; F440-W513 HydrophobicContact CD1-CE3 3.93Å; F440-W513 HydrophobicContact CD1-CH2 4.41Å; F440-W513 HydrophobicContact CD1-CZ3 4.1Å; F440-W513 AromaticContact CE1-CD2 3.71Å; F440-W513 HydrophobicContact CE1-CD2 3.71Å; F440-W513 AromaticContact CE1-CE2 3.53Å; F440-W513 AromaticContact CE1-CE3 3.85Å; F440-W513 HydrophobicContact CE1-CE3 3.85Å; F440-W513 HydrophobicContact CE1-CG 4.43Å; F440-W513 AromaticContact CE1-CH2 3.75Å; F440-W513 HydrophobicContact CE1-CH2 3.75Å; F440-W513 AromaticContact CE1-CZ2 3.57Å; F440-W513 HydrophobicContact CE1-CZ2 3.57Å; F440-W513 AromaticContact CE1-CZ3 3.88Å; F440-W513 HydrophobicContact CE1-CZ3 3.88Å; F440-W513 HydrophobicContact CZ-CZ2 4.25Å; F440-F526 AromaticContact CD1-CE1 3.98Å; F440-F526 HydrophobicContact CD1-CE1 3.98Å; F440-F526 HydrophobicContact CD1-CZ 4.14Å
441D98.7Very high97.8Very high1 Ų123.5 Ų23.51%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-139.3115.4171.9-171.9-55.4000108.3G418 N420 L421 M443 L444 E445 M531G418-D441 CarbonylContact O-C 3.35Å; G418-D441 WeakPolarHBondContact O-CA 3.22Å; N420-D441 WeakPolarHBondContact CA-OD2 3.45Å; N420-D441 VanDerWaalsContact N-CG 3.3Å; N420-D441 PolarHBondContact N-OD1 2.84Å; N420-D441 PolarHBondContact N-OD2 2.82Å; L421-D441 PolarHBondContact N-OD2 2.68Å; D441-M443 VanDerWaalsContact C-N 3.26Å; D441-M443 PolarHBondContact O-N 2.82Å; D441-M443 WeakPolarHBondContact OD1-CB 3.23Å; D441-M443 PolarHBondContact OD1-N 3.45Å; D441-L444 HydrophobicContact CB-CB 4.12Å; D441-L444 HydrophobicContact CB-CD1 3.92Å; D441-L444 HydrophobicContact CB-CG 3.97Å; D441-L444 CarbonylContact O-C 3.6Å; D441-L444 WeakPolarHBondContact O-CA 3.37Å; D441-L444 WeakPolarHBondContact O-CB 3.4Å; D441-L444 PolarHBondContact O-N 2.96Å; D441-L444 PolarHBondContact OD1-N 3.31Å; D441-E445 WeakPolarHBondContact O-CG 3.3Å; D441-E445 PolarHBondContact O-N 3.4Å; D441-M531 HydrophobicContact CB-CE 4.29Å; D441-M531 HydrophobicContact CB-SD 3.9Å
442T98.7Very high97.5Very high0 Ų023.1 Ų23.10%013%0.133CC..Hα-helixtrans-65.6-28-172.444.10000113.2V417 G418 Q419 S446 T505 L508 H509 M512V417-T442 HydrophobicContact CG2-CG2 4.08Å; G418-T442 PolarHBondContact O-N 2.85Å; G418-T442 PolarHBondContact O-OG1 2.98Å; Q419-T442 WeakPolarHBondContact CB-OG1 3.28Å; Q419-T442 PolarHBondContact OE1-OG1 2.95Å; T442-S446 PolarHBondContact O-N 3.33Å; T442-T505 HydrophobicContact CG2-CG2 4.15Å; T442-T505 WeakPolarHBondContact CG2-O 3.35Å; T442-L508 HydrophobicContact CG2-CB 3.93Å; T442-H509 HydrophobicContact CG2-CB 3.8Å; T442-M512 HydrophobicContact CG2-CE 3.96Å; T442-M512 WeakPolarHBondContact O-CE 3.34Å
443M98.6Very high96.9Very high35 Ų3522 Ų2217%0.17212%0.119CC..Hα-helixtrans-63.4-45.8170.8-171.4178.655.100110.1Q419 N420 D441 Y447 H456 A662Q419-M443 VanDerWaalsContact OE1-N 3.14Å; N420-M443 HydrophobicContact CB-CE 3.73Å; N420-M443 HydrophobicContact CB-SD 4.27Å; D441-M443 VanDerWaalsContact C-N 3.26Å; D441-M443 PolarHBondContact O-N 2.82Å; D441-M443 WeakPolarHBondContact OD1-CB 3.23Å; D441-M443 PolarHBondContact OD1-N 3.45Å; M443-Y447 WeakPolarHBondContact O-CB 3.43Å; M443-Y447 PolarHBondContact O-N 2.76Å; M443-H456 HydrophobicContact CG-CB 3.97Å; M443-A662 HydrophobicContact CE-CB 4.41Å; M443-A662 HydrophobicContact CG-CB 3.81Å; M443-A662 HydrophobicContact SD-CB 4.1Å
444L98.6Very high96.3Very high0 Ų023.4 Ų23.40%013%0.134CC..Hα-helixtrans-72-37.3180-60.9-178.6000112D441 Y447 I448 F526 E530 M531 V534 Q661 A662D441-L444 HydrophobicContact CB-CB 4.12Å; D441-L444 HydrophobicContact CB-CD1 3.92Å; D441-L444 HydrophobicContact CB-CG 3.97Å; D441-L444 CarbonylContact O-C 3.6Å; D441-L444 WeakPolarHBondContact O-CA 3.37Å; D441-L444 WeakPolarHBondContact O-CB 3.4Å; D441-L444 PolarHBondContact O-N 2.96Å; D441-L444 PolarHBondContact OD1-N 3.31Å; L444-Y447 PolarHBondContact O-N 3.1Å; L444-I448 WeakPolarHBondContact O-CB 3.47Å; L444-I448 VanDerWaalsContact O-CG1 3.31Å; L444-I448 WeakPolarHBondContact O-CG1 3.39Å; L444-I448 PolarHBondContact O-N 2.63Å; L444-F526 HydrophobicContact CB-CD2 4.35Å; L444-F526 HydrophobicContact CB-CE2 3.99Å; L444-E530 HydrophobicContact CD1-CB 4.18Å; L444-M531 HydrophobicContact CD1-SD 3.85Å; L444-V534 HydrophobicContact CD1-CG2 3.58Å; L444-Q661 HydrophobicContact CD2-CB 3.63Å; L444-Q661 HydrophobicContact CD2-CG 4.44Å; L444-A662 HydrophobicContact CD2-CB 4.48Å
445E98.6Very high96Very high0 Ų028.9 Ų28.90%015%0.152CC..Hα-helixtrans-58.6-51.9173.3-71.9177.8163.100110.9D441 Y447 I448 L449 H509 M512 L516 F526D441-E445 WeakPolarHBondContact O-CG 3.3Å; D441-E445 PolarHBondContact O-N 3.4Å; E445-Y447 VanDerWaalsContact C-N 3.3Å; E445-Y447 PolarHBondContact O-N 3.49Å; E445-I448 PolarHBondContact O-N 3.4Å; E445-L449 WeakPolarHBondContact O-CB 3.49Å; E445-L449 WeakPolarHBondContact O-CG 3.15Å; E445-L449 PolarHBondContact O-N 2.83Å; E445-H509 IonicContact OE1-CE1 3.1Å; E445-H509 PolarHBondContact OE1-CE1 3.22Å; E445-H509 IonicContact OE1-CG 2.7Å; E445-H509 IonicContact OE1-ND1 3.45Å; E445-H509 PolarHBondContact OE1-ND1 3.22Å; E445-H509 WeakPolarHBondContact OE2-CA 3.29Å; E445-H509 IonicContact OE2-ND1 2.78Å; E445-M512 HydrophobicContact CB-CB 4.36Å; E445-M512 HydrophobicContact CB-CE 4.09Å; E445-L516 HydrophobicContact CG-CD2 4.38Å; E445-F526 HydrophobicContact CB-CE2 4.32Å; E445-F526 HydrophobicContact CG-CD2 4.37Å; E445-F526 HydrophobicContact CG-CE2 3.49Å; E445-F526 VanDerWaalsContact CG-CE2 3.49Å; E445-F526 HydrophobicContact CG-CZ 3.66Å
446S98.2Very high95.9Very high2 Ų229.6 Ų29.61%0.01416%0.156CC..Hα-helixtrans-61.8-41.5177.7178.40000111.8T442 L449 N450 H456 L461T442-S446 PolarHBondContact O-N 3.33Å; S446-L449 PolarHBondContact O-N 3.32Å; S446-N450 PolarHBondContact O-N 3.2Å; S446-N450 VanDerWaalsContact O-N 3.08Å; S446-H456 PolarHBondContact OG-ND1 3.39Å; S446-L461 WeakPolarHBondContact OG-CD2 3.48Å
447Y98.2Very high95.8Very high3 Ų326.6 Ų26.61%0.01215%0.147CC..Hα-helixtrans-64.8-42.4-178.2176-109.5000112.6M443 L444 E445 N450 S451 H456 Q661 A662 T664 G667M443-Y447 WeakPolarHBondContact O-CB 3.43Å; M443-Y447 PolarHBondContact O-N 2.76Å; L444-Y447 PolarHBondContact O-N 3.1Å; E445-Y447 VanDerWaalsContact C-N 3.3Å; E445-Y447 PolarHBondContact O-N 3.49Å; Y447-N450 CarbonylContact O-C 3.59Å; Y447-S451 WeakPolarHBondContact O-CA 3.4Å; Y447-S451 PolarHBondContact O-N 3.03Å; Y447-S451 VanDerWaalsContact O-N 3.11Å; Y447-H456 VanDerWaalsContact CA-CE1 3.48Å; Y447-H456 WeakPolarHBondContact CA-CE1 3.17Å; Y447-H456 AromaticContact CD2-CD2 3.9Å; Y447-H456 AromaticContact CD2-NE2 3.63Å; Y447-Q661 VanDerWaalsContact CE1-O 3.32Å; Y447-Q661 WeakPolarHBondContact CE1-O 3.24Å; Y447-Q661 PolarHBondContact OH-O 3.1Å; Y447-A662 HydrophobicContact CD1-CB 4.15Å; Y447-A662 VanDerWaalsContact CD2-CA 3.5Å; Y447-A662 HydrophobicContact CD2-CB 3.77Å; Y447-A662 HydrophobicContact CE2-CB 4.43Å; Y447-A662 HydrophobicContact CG-CB 3.61Å; Y447-T664 WeakPolarHBondContact CE2-O 3.45Å; Y447-T664 VanDerWaalsContact CZ-O 3.28Å; Y447-T664 PolarHBondContact OH-O 3.28Å; Y447-G667 WeakPolarHBondContact OH-CA 3.35Å; Y447-G667 PolarHBondContact OH-N 3.18Å
448I98.1Very high95.8Very high2 Ų226.8 Ų26.81%0.0115%0.145CC..Hα-helixtrans-71-33.9177.3-70.4-54.3000112L444 E445 L516 P522 V525 F526 E530L444-I448 WeakPolarHBondContact O-CB 3.47Å; L444-I448 VanDerWaalsContact O-CG1 3.31Å; L444-I448 WeakPolarHBondContact O-CG1 3.39Å; L444-I448 PolarHBondContact O-N 2.63Å; E445-I448 PolarHBondContact O-N 3.4Å; I448-L516 HydrophobicContact CB-CD1 4.36Å; I448-L516 HydrophobicContact CG2-CD1 3.55Å; I448-P522 HydrophobicContact CG2-CB 3.62Å; I448-P522 WeakPolarHBondContact CG2-O 3.4Å; I448-V525 HydrophobicContact CD1-CB 4.42Å; I448-V525 HydrophobicContact CD1-CG1 3.68Å; I448-F526 HydrophobicContact CG1-CB 4.38Å; I448-F526 HydrophobicContact CG1-CD2 4.36Å; I448-F526 HydrophobicContact CG2-CB 4.28Å; I448-E530 HydrophobicContact CD1-CG 3.69Å; I448-E530 HydrophobicContact CG1-CG 3.99Å
449L97.1Very high95.7Very high11 Ų1128.2 Ų28.26%0.05815%0.153CC..Hα-helixtrans-62.4-48.1173.5-82.2169.3000112E445 S446 W465 M512 D515 L516 Y824E445-L449 WeakPolarHBondContact O-CB 3.49Å; E445-L449 WeakPolarHBondContact O-CG 3.15Å; E445-L449 PolarHBondContact O-N 2.83Å; S446-L449 PolarHBondContact O-N 3.32Å; L449-W465 HydrophobicContact CD1-CH2 3.99Å; L449-W465 HydrophobicContact CD1-CZ2 3.95Å; L449-M512 HydrophobicContact CD1-CB 3.93Å; L449-M512 HydrophobicContact CD1-CG 4.24Å; L449-D515 HydrophobicContact CD2-CB 4.36Å; L449-L516 HydrophobicContact CD2-CB 4.06Å; L449-L516 HydrophobicContact CD2-CD1 4.19Å; L449-L516 HydrophobicContact CG-CB 4.21Å; L449-L516 HydrophobicContact CG-CD1 4.21Å; L449-Y824 WeakPolarHBondContact O-CE2 3.19Å; L449-Y824 PolarHBondContact O-OH 2.95Å
450N95.8Very high95.5Very high42 Ų4228.4 Ų28.423%0.22515%0.153CC..  trans-162.5102.9176.2-173-18.5000112.4S446 Y447 V452 A453 H456 Y824S446-N450 PolarHBondContact O-N 3.2Å; S446-N450 VanDerWaalsContact O-N 3.08Å; Y447-N450 CarbonylContact O-C 3.59Å; N450-V452 PolarHBondContact O-N 2.62Å; N450-V452 VanDerWaalsContact O-N 3.16Å; N450-V452 VanDerWaalsContact OD1-CG2 3.25Å; N450-V452 WeakPolarHBondContact OD1-CG2 3.49Å; N450-V452 PolarHBondContact OD1-N 2.98Å; N450-A453 HydrophobicContact CB-CB 3.9Å; N450-A453 PolarHBondContact O-N 3.45Å; N450-A453 PolarHBondContact OD1-N 3.25Å; N450-H456 PolarHBondContact O-CE1 3.35Å; N450-H456 VanDerWaalsContact O-CE1 3.27Å; N450-Y824 HydrophobicContact CB-CD2 4.02Å; N450-Y824 HydrophobicContact CB-CE2 3.88Å; N450-Y824 WeakPolarHBondContact OD1-CD2 3.08Å
451S94.8Very high95.4Very high14 Ų1427 Ų2710%0.09815%0.147CC..THydrogen-bonded Turntrans-70.4-5.4-177.662.80000115.9Y447 A665Y447-S451 WeakPolarHBondContact O-CA 3.4Å; Y447-S451 PolarHBondContact O-N 3.03Å; Y447-S451 VanDerWaalsContact O-N 3.11Å; S451-A665 PolarHBondContact OG-O 3.48Å
452V91.1Very high95.3Very high55 Ų5527 Ų2733%0.33315%0.147SC..THydrogen-bonded Turntrans-1247.6-178.8-59.40000113.1N450 G454 A665 P826N450-V452 PolarHBondContact O-N 2.62Å; N450-V452 VanDerWaalsContact O-N 3.16Å; N450-V452 VanDerWaalsContact OD1-CG2 3.25Å; N450-V452 WeakPolarHBondContact OD1-CG2 3.49Å; N450-V452 PolarHBondContact OD1-N 2.98Å; V452-G454 PolarHBondContact O-N 2.91Å; V452-G454 VanDerWaalsContact O-N 3.16Å; V452-A665 HydrophobicContact CG1-CB 3.63Å; V452-P826 HydrophobicContact CG2-CG 4.16Å
453A83.4Confident95.1Very high27 Ų2733.1 Ų33.122%0.22318%0.175CC..SBendtrans-70.4-4.2178.300000114.3N450 R464N450-A453 HydrophobicContact CB-CB 3.9Å; N450-A453 PolarHBondContact O-N 3.45Å; N450-A453 PolarHBondContact OD1-N 3.25Å; A453-R464 PolarHBondContact O-NH2 3.4Å
454G85.9Confident94.8Very high34 Ų3435.2 Ų35.235%0.35118%0.181SC..SBendtrans127.8-153.7-177.700000111.2V452V452-G454 PolarHBondContact O-N 2.91Å; V452-G454 VanDerWaalsContact O-N 3.16Å
455R92Very high94.6Very high175 Ų17537.7 Ų37.766%0.6619%0.19SC*.  trans-73.8153178.7-59.817259.199.76.3111.3D457 R464R455-D457 VanDerWaalsContact CB-OD2 3.29Å; R455-D457 WeakPolarHBondContact CB-OD2 3.46Å; R455-D457 IonicContact CZ-OD2 2.89Å; R455-D457 VanDerWaalsContact CZ-OD2 3.23Å; R455-D457 IonicContact NE-OD2 3.34Å; R455-D457 PolarHBondContact NE-OD2 2.96Å; R455-D457 IonicContact NH2-OD2 3.32Å; R455-D457 PolarHBondContact NH2-OD2 3.31Å; R455-R464 PolarHBondContact O-NH2 3.3Å
456H96.3Very high94.3Very high16 Ų1637.7 Ų37.77%0.07419%0.19CC..  trans-11313.5179.9-60.6-69.7000113Q419 M443 S446 Y447 N450 L461Q419-H456 PolarHBondContact NE2-O 3.33Å; M443-H456 HydrophobicContact CG-CB 3.97Å; S446-H456 PolarHBondContact OG-ND1 3.39Å; Y447-H456 VanDerWaalsContact CA-CE1 3.48Å; Y447-H456 WeakPolarHBondContact CA-CE1 3.17Å; Y447-H456 AromaticContact CD2-CD2 3.9Å; Y447-H456 AromaticContact CD2-NE2 3.63Å; N450-H456 PolarHBondContact O-CE1 3.35Å; N450-H456 VanDerWaalsContact O-CE1 3.27Å; H456-L461 WeakPolarHBondContact O-CD1 3.49Å
457D96.1Very high94Very high43 Ų4343.1 Ų43.123%0.2321%0.214CC..SBendtrans-69.9152.5168.554.779.3000111.7R455 D459 S460 L461R455-D457 VanDerWaalsContact CB-OD2 3.29Å; R455-D457 WeakPolarHBondContact CB-OD2 3.46Å; R455-D457 IonicContact CZ-OD2 2.89Å; R455-D457 VanDerWaalsContact CZ-OD2 3.23Å; R455-D457 IonicContact NE-OD2 3.34Å; R455-D457 PolarHBondContact NE-OD2 2.96Å; R455-D457 IonicContact NH2-OD2 3.32Å; R455-D457 PolarHBondContact NH2-OD2 3.31Å; D457-D459 VanDerWaalsContact C-N 3.3Å; D457-D459 PolarHBondContact O-N 2.98Å; D457-S460 VanDerWaalsContact CG-OG 3.31Å; D457-S460 PolarHBondContact O-N 3.11Å; D457-S460 VanDerWaalsContact O-N 3.16Å; D457-S460 WeakPolarHBondContact OD1-CB 3.37Å; D457-S460 PolarHBondContact OD1-N 3.42Å; D457-S460 PolarHBondContact OD1-OG 3.42Å; D457-S460 PolarHBondContact OD2-OG 2.9Å; D457-L461 WeakPolarHBondContact O-CG 3.3Å; D457-L461 PolarHBondContact O-N 3.27Å
458M96.9Very high93.7Very high18 Ų1844.3 Ų44.39%0.08922%0.219CC..Hα-helixtrans-54.4-44.5-174.1-172.7-170.26800112.4Q419 S460 L461 A462 T470 D501 V504 L508Q419-M458 HydrophobicContact CG-CB 4.2Å; M458-S460 PolarHBondContact O-N 2.86Å; M458-L461 CarbonylContact O-C 3.5Å; M458-L461 PolarHBondContact O-N 3.4Å; M458-L461 VanDerWaalsContact O-N 3.15Å; M458-A462 WeakPolarHBondContact O-CB 3.46Å; M458-A462 PolarHBondContact O-N 3.36Å; M458-T470 HydrophobicContact CE-CG2 4.12Å; M458-D501 HydrophobicContact CE-CB 3.92Å; M458-D501 WeakPolarHBondContact CE-OD1 3.42Å; M458-D501 HydrophobicContact SD-CB 3.98Å; M458-V504 HydrophobicContact CG-CG1 3.74Å; M458-V504 HydrophobicContact SD-CB 4.23Å; M458-V504 HydrophobicContact SD-CG1 3.98Å; M458-L508 HydrophobicContact CG-CD1 4.09Å
459D95.2Very high93.5Very high61 Ų6151 Ų5133%0.32625%0.249SC..Hα-helixtrans-57.7-49.7179.1-63.4-19.5000111.8D457 L461 A462 E463 T470D457-D459 VanDerWaalsContact C-N 3.3Å; D457-D459 PolarHBondContact O-N 2.98Å; D459-L461 VanDerWaalsContact C-N 3.28Å; D459-L461 PolarHBondContact O-N 3.26Å; D459-A462 PolarHBondContact O-N 3.32Å; D459-E463 PolarHBondContact O-N 3.4Å; D459-T470 VanDerWaalsContact CG-OG1 3.26Å; D459-T470 WeakPolarHBondContact OD1-CB 3.25Å; D459-T470 PolarHBondContact OD1-OG1 3.32Å
460S94.9Very high93.3Very high29 Ų2950.8 Ų50.820%0.20325%0.247CC..Hα-helixtrans-64.6-34.4178.2-59.40000112.1D457 M458 R464D457-S460 VanDerWaalsContact CG-OG 3.31Å; D457-S460 PolarHBondContact O-N 3.11Å; D457-S460 VanDerWaalsContact O-N 3.16Å; D457-S460 WeakPolarHBondContact OD1-CB 3.37Å; D457-S460 PolarHBondContact OD1-N 3.42Å; D457-S460 PolarHBondContact OD1-OG 3.42Å; D457-S460 PolarHBondContact OD2-OG 2.9Å; M458-S460 PolarHBondContact O-N 2.86Å; S460-R464 WeakPolarHBondContact O-CB 3.28Å; S460-R464 PolarHBondContact O-N 3.08Å; S460-R464 VanDerWaalsContact O-N 3.12Å
461L96.8Very high93.3Very high0 Ų050 Ų500%024%0.243CC..Hα-helixtrans-72.9-40.7176.6-64.6-176.4000111.8S446 H456 D457 M458 D459 E463 R464 W465 L508 M512S446-L461 WeakPolarHBondContact OG-CD2 3.48Å; H456-L461 WeakPolarHBondContact O-CD1 3.49Å; D457-L461 WeakPolarHBondContact O-CG 3.3Å; D457-L461 PolarHBondContact O-N 3.27Å; M458-L461 CarbonylContact O-C 3.5Å; M458-L461 PolarHBondContact O-N 3.4Å; M458-L461 VanDerWaalsContact O-N 3.15Å; D459-L461 VanDerWaalsContact C-N 3.28Å; D459-L461 PolarHBondContact O-N 3.26Å; L461-E463 VanDerWaalsContact C-N 3.33Å; L461-E463 PolarHBondContact O-N 3.03Å; L461-R464 PolarHBondContact O-N 3.08Å; L461-W465 WeakPolarHBondContact O-CB 3.27Å; L461-W465 PolarHBondContact O-N 2.92Å; L461-L508 HydrophobicContact CB-CD1 3.79Å; L461-L508 HydrophobicContact CB-CD2 3.84Å; L461-L508 HydrophobicContact CB-CG 4.49Å; L461-L508 HydrophobicContact CD1-CD1 4.48Å; L461-M512 HydrophobicContact CD1-CE 4.5Å
462A95.7Very high93.2Very high0 Ų050.9 Ų50.90%025%0.248CC..Iπ-helixtrans-61.1-43.2175.800000110.9M458 D459 L466 K467 H468 T470 V504M458-A462 WeakPolarHBondContact O-CB 3.46Å; M458-A462 PolarHBondContact O-N 3.36Å; D459-A462 PolarHBondContact O-N 3.32Å; A462-L466 CarbonylContact O-C 3.56Å; A462-L466 VanDerWaalsContact O-CA 3.25Å; A462-L466 WeakPolarHBondContact O-CA 3.35Å; A462-L466 VanDerWaalsContact O-CB 3.23Å; A462-L466 WeakPolarHBondContact O-CB 3.33Å; A462-L466 PolarHBondContact O-N 3.44Å; A462-K467 PolarHBondContact O-N 3Å; A462-H468 CarbonylContact C-O 3.55Å; A462-H468 PolarHBondContact O-N 2.85Å; A462-H468 VanDerWaalsContact O-N 3.16Å; A462-T470 HydrophobicContact CB-CG2 3.8Å; A462-V504 HydrophobicContact CB-CG1 3.78Å
463E94Very high93.4Very high129 Ų12951.2 Ų51.260%0.60325%0.245SC*.Iπ-helixtrans-62.8-45.7174.6-174175.3-165.700111.1D459 L461 K467 H468D459-E463 PolarHBondContact O-N 3.4Å; L461-E463 VanDerWaalsContact C-N 3.33Å; L461-E463 PolarHBondContact O-N 3.03Å; E463-K467 VanDerWaalsContact O-CA 3.24Å; E463-K467 WeakPolarHBondContact O-CA 3.49Å; E463-K467 PolarHBondContact O-N 3.36Å; E463-H468 WeakPolarHBondContact CA-O 3.47Å; E463-H468 PolarHBondContact N-O 3.1Å
464R92.8Very high93.9Very high79 Ų7954.3 Ų54.330%0.29826%0.255SS..Iπ-helixtrans-69.9-47.7-176.4-170.6-174.1-57.3150.312.8113.3A453 R455 S460 L461A453-R464 PolarHBondContact O-NH2 3.4Å; R455-R464 PolarHBondContact O-NH2 3.3Å; S460-R464 WeakPolarHBondContact O-CB 3.28Å; S460-R464 PolarHBondContact O-N 3.08Å; S460-R464 VanDerWaalsContact O-N 3.12Å; L461-R464 PolarHBondContact O-N 3.08Å
465W94.1Very high94.2Very high51 Ų5157.8 Ų57.819%0.19326%0.262CS..Iπ-helixtrans-100.6-26.1-169.6-69.497.8000113.5V320 L449 L461 L508 K511 M512V320-W465 VanDerWaalsContact CG1-O 3.32Å; V320-W465 WeakPolarHBondContact CG1-O 3.25Å; L449-W465 HydrophobicContact CD1-CH2 3.99Å; L449-W465 HydrophobicContact CD1-CZ2 3.95Å; L461-W465 WeakPolarHBondContact O-CB 3.27Å; L461-W465 PolarHBondContact O-N 2.92Å; W465-L508 HydrophobicContact CB-CD2 3.82Å; W465-L508 HydrophobicContact CG-CD2 4.42Å; W465-K511 VanDerWaalsContact O-CD 3.24Å; W465-K511 WeakPolarHBondContact O-CD 3.32Å; W465-K511 PolarHBondContact O-NZ 3.25Å; W465-M512 HydrophobicContact CD2-CG 3.75Å; W465-M512 HydrophobicContact CD2-SD 4.25Å; W465-M512 HydrophobicContact CE3-CG 4.03Å; W465-M512 HydrophobicContact CG-CG 4.18Å; W465-M512 HydrophobicContact CG-SD 4.3Å; W465-M512 HydrophobicContact CH2-CG 4.27Å; W465-M512 HydrophobicContact CZ2-CG 4Å; W465-M512 HydrophobicContact CZ2-SD 4.31Å; W465-M512 HydrophobicContact CZ3-CG 4.28Å
466L93.9Very high94.3Very high0 Ų050.4 Ų50.40%024%0.235CC..Iπ-helixtrans-108.9-15.6179.8-50-178.7000112.5T323 I325 A462 H468 V504 Q507 L508 K511T323-L466 PolarHBondContact N-O 3.38Å; I325-L466 HydrophobicContact CD1-CD1 4.34Å; A462-L466 CarbonylContact O-C 3.56Å; A462-L466 VanDerWaalsContact O-CA 3.25Å; A462-L466 WeakPolarHBondContact O-CA 3.35Å; A462-L466 VanDerWaalsContact O-CB 3.23Å; A462-L466 WeakPolarHBondContact O-CB 3.33Å; A462-L466 PolarHBondContact O-N 3.44Å; L466-H468 HydrophobicContact CB-CB 3.94Å; L466-H468 PolarHBondContact O-N 3.18Å; L466-V504 HydrophobicContact CD1-CG1 4.09Å; L466-Q507 HydrophobicContact CD1-CB 4Å; L466-Q507 HydrophobicContact CD2-CB 4.18Å; L466-L508 HydrophobicContact CD1-CD2 4.17Å; L466-L508 HydrophobicContact CD1-CG 4.16Å; L466-L508 HydrophobicContact CD2-CD2 4.46Å; L466-L508 HydrophobicContact CG-CD2 3.97Å; L466-L508 HydrophobicContact CG-CG 4.48Å; L466-K511 HydrophobicContact CD2-CD 3.69Å; L466-K511 VanDerWaalsContact CD2-CE 3.48Å; L466-K511 HydrophobicContact CD2-CG 4.24Å
467K91.5Very high94.2Very high116 Ų11649.8 Ų49.850%0.50423%0.233SC..  trans53.235.2-166.5-58.5-178.7173.9173.20111.4V320 A322 A462 E463V320-K467 VanDerWaalsContact O-CD 3.28Å; V320-K467 WeakPolarHBondContact O-CD 3.04Å; V320-K467 WeakPolarHBondContact O-CE 3.3Å; V320-K467 PolarHBondContact O-NZ 3.1Å; A322-K467 HydrophobicContact CB-CB 4.07Å; A462-K467 PolarHBondContact O-N 3Å; E463-K467 VanDerWaalsContact O-CA 3.24Å; E463-K467 WeakPolarHBondContact O-CA 3.49Å; E463-K467 PolarHBondContact O-N 3.36Å
468H92.2Very high94Very high28 Ų2849.2 Ų49.213%0.1324%0.237CC..  trans-109.7141-179.5-177.164.5000110I325 A462 E463 L466 E500I325-H468 HydrophobicContact CD1-CB 4.15Å; I325-H468 VanDerWaalsContact CD1-CD2 3.46Å; I325-H468 WeakPolarHBondContact CD1-CD2 3.41Å; A462-H468 CarbonylContact C-O 3.55Å; A462-H468 PolarHBondContact O-N 2.85Å; A462-H468 VanDerWaalsContact O-N 3.16Å; E463-H468 WeakPolarHBondContact CA-O 3.47Å; E463-H468 PolarHBondContact N-O 3.1Å; L466-H468 HydrophobicContact CB-CB 3.94Å; L466-H468 PolarHBondContact O-N 3.18Å; H468-E500 IonicContact CD2-OE1 3.62Å; H468-E500 IonicContact CE1-OE1 3.65Å; H468-E500 IonicContact NE2-OE1 2.69Å; H468-E500 PolarHBondContact NE2-OE1 3.33Å
469K93Very high93.7Very high144 Ų14454.8 Ų54.863%0.62626%0.261SS*.  trans-101.8110170.1-173.8-163.3171.8-139.60107.4E475K469-E475 IonicContact NZ-OE1 3.79Å; K469-E475 PolarHBondContact NZ-OE1 3.33Å
470T93.9Very high93.4Very high5 Ų554.6 Ų54.63%0.03127%0.273CS..PPolyproline II helixtrans-63.9155.7174.345.20000111.8M458 D459 A462 T472 V504M458-T470 HydrophobicContact CE-CG2 4.12Å; D459-T470 VanDerWaalsContact CG-OG1 3.26Å; D459-T470 WeakPolarHBondContact OD1-CB 3.25Å; D459-T470 PolarHBondContact OD1-OG1 3.32Å; A462-T470 HydrophobicContact CB-CG2 3.8Å; T470-T472 PolarHBondContact O-N 3.5Å; T470-V504 HydrophobicContact CG2-CG1 4.22Å; T470-V504 HydrophobicContact CG2-CG2 4.08Å
471I94.3Very high93Very high27 Ų2763.5 Ų63.514%0.13831%0.308CS..PPolyproline II helixtrans-67123.7164.1-58.7164.9000106.4Y327 I476 R496 Y497 E500Y327-I471 HydrophobicContact CE1-CD1 4.49Å; I471-I476 HydrophobicContact CG2-CG2 4Å; I471-R496 HydrophobicContact CD1-CG 3.84Å; I471-Y497 HydrophobicContact CB-CD2 4.1Å; I471-Y497 HydrophobicContact CG2-CD2 3.87Å; I471-Y497 WeakPolarHBondContact O-CD2 3.38Å; I471-Y497 WeakPolarHBondContact O-CE2 3.5Å; I471-E500 WeakPolarHBondContact CB-OE2 3.46Å; I471-E500 VanDerWaalsContact CG1-OE2 3.29Å; I471-E500 WeakPolarHBondContact CG1-OE2 3.3Å; I471-E500 PolarHBondContact N-OE2 2.52Å
472T94.1Very high92.6Very high31 Ų3170.5 Ų70.519%0.1935%0.346CS..PPolyproline II helixtrans-89.2148-178.166.80000111T470 E474 E475T470-T472 PolarHBondContact O-N 3.5Å; T472-E474 PolarHBondContact O-N 3.5Å; T472-E474 VanDerWaalsContact O-N 3.16Å; T472-E475 PolarHBondContact N-OE2 3.38Å; T472-E475 WeakPolarHBondContact O-CB 3.33Å; T472-E475 PolarHBondContact O-N 2.59Å; T472-E475 WeakPolarHBondContact OG1-CG 3.38Å; T472-E475 PolarHBondContact OG1-N 3.48Å
473F93.9Very high92.5Very high63 Ų6374 Ų7428%0.27636%0.362SS..Hα-helixtrans-55.6-35.6174.1-177.3-113.9000112.5E475 I476 A477 Q483 F486 I489 Y497F473-E475 VanDerWaalsContact C-N 3.27Å; F473-E475 PolarHBondContact O-N 3.43Å; F473-I476 HydrophobicContact CD2-CD1 4.28Å; F473-I476 HydrophobicContact CD2-CG1 4.3Å; F473-I476 WeakPolarHBondContact O-CG1 3.44Å; F473-I476 PolarHBondContact O-N 3.09Å; F473-A477 HydrophobicContact CD1-CB 4.08Å; F473-A477 HydrophobicContact CD2-CB 4.05Å; F473-A477 HydrophobicContact CE1-CB 3.66Å; F473-A477 HydrophobicContact CE2-CB 3.62Å; F473-A477 HydrophobicContact CG-CB 4.26Å; F473-A477 HydrophobicContact CZ-CB 3.4Å; F473-A477 VanDerWaalsContact CZ-CB 3.4Å; F473-A477 VanDerWaalsContact O-CB 3.22Å; F473-A477 WeakPolarHBondContact O-CB 3.47Å; F473-A477 PolarHBondContact O-N 3.08Å; F473-Q483 VanDerWaalsContact CD1-NE2 3.28Å; F473-Q483 HydrophobicContact CE1-CG 4.11Å; F473-Q483 VanDerWaalsContact CE1-NE2 3.27Å; F473-F486 HydrophobicContact CD2-CD2 4.18Å; F473-F486 AromaticContact CE2-CD2 3.75Å; F473-F486 HydrophobicContact CE2-CD2 3.75Å; F473-I489 HydrophobicContact CD2-CD1 4.34Å; F473-I489 HydrophobicContact CE2-CD1 3.7Å; F473-Y497 HydrophobicContact CB-CE2 4.34Å
474E93.7Very high92.5Very high91 Ų9171.3 Ų71.343%0.42535%0.352SS..Hα-helixtrans-64.9-26.1175.8-68.1-171.5131.100114T472 G478 K479T472-E474 PolarHBondContact O-N 3.5Å; T472-E474 VanDerWaalsContact O-N 3.16Å; E474-G478 WeakPolarHBondContact CA-O 3.48Å; E474-G478 VanDerWaalsContact O-CA 3.3Å; E474-G478 WeakPolarHBondContact O-CA 3.24Å; E474-G478 PolarHBondContact O-N 3.44Å; E474-G478 VanDerWaalsContact O-N 3.1Å; E474-K479 HydrophobicContact CB-CG 4.11Å; E474-K479 VanDerWaalsContact CD-CE 3.48Å; E474-K479 HydrophobicContact CG-CG 4.13Å; E474-K479 WeakPolarHBondContact OE1-CD 3.48Å; E474-K479 IonicContact OE1-NZ 3.7Å; E474-K479 PolarHBondContact OE1-NZ 3.36Å; E474-K479 VanDerWaalsContact OE2-CE 3.23Å; E474-K479 WeakPolarHBondContact OE2-CE 3.5Å; E474-K479 IonicContact OE2-NZ 3.39Å; E474-K479 PolarHBondContact OE2-NZ 2.85Å
475E93Very high92.6Very high107 Ų10770 Ų7050%0.535%0.352SS..Hα-helixtrans-71.6-33.7177.7-79.2167.3178.900111.4K469 T472 F473K469-E475 IonicContact NZ-OE1 3.79Å; K469-E475 PolarHBondContact NZ-OE1 3.33Å; T472-E475 PolarHBondContact N-OE2 3.38Å; T472-E475 WeakPolarHBondContact O-CB 3.33Å; T472-E475 PolarHBondContact O-N 2.59Å; T472-E475 WeakPolarHBondContact OG1-CG 3.38Å; T472-E475 PolarHBondContact OG1-N 3.48Å; F473-E475 VanDerWaalsContact C-N 3.27Å; F473-E475 PolarHBondContact O-N 3.43Å
476I94.9Very high92.8Very high20 Ų2067.7 Ų67.710%0.10334%0.343CS..Hα-helixtrans-97.4-31.5-179.359.2172.3000113.6I471 F473 F486 I489 E493 Y497I471-I476 HydrophobicContact CG2-CG2 4Å; F473-I476 HydrophobicContact CD2-CD1 4.28Å; F473-I476 HydrophobicContact CD2-CG1 4.3Å; F473-I476 WeakPolarHBondContact O-CG1 3.44Å; F473-I476 PolarHBondContact O-N 3.09Å; I476-F486 HydrophobicContact CD1-CE2 4.32Å; I476-I489 HydrophobicContact CB-CD1 4.47Å; I476-I489 HydrophobicContact CB-CG2 4.22Å; I476-I489 HydrophobicContact CD1-CD1 3.73Å; I476-I489 HydrophobicContact CD1-CG2 4.31Å; I476-I489 HydrophobicContact CG1-CD1 3.91Å; I476-E493 HydrophobicContact CG2-CB 4.15Å; I476-Y497 HydrophobicContact CD1-CD1 3.93Å; I476-Y497 HydrophobicContact CD1-CD2 3.53Å; I476-Y497 HydrophobicContact CD1-CE2 4.13Å; I476-Y497 HydrophobicContact CD1-CG 3.42Å; I476-Y497 VanDerWaalsContact CD1-CG 3.42Å; I476-Y497 HydrophobicContact CG1-CD2 4.38Å
477A93.9Very high92.9Very high4 Ų468.4 Ų68.43%0.03335%0.348CS..Hα-helixtrans-101.5-12-176.600000113.7F473 Q483 L484 I489F473-A477 HydrophobicContact CD1-CB 4.08Å; F473-A477 HydrophobicContact CD2-CB 4.05Å; F473-A477 HydrophobicContact CE1-CB 3.66Å; F473-A477 HydrophobicContact CE2-CB 3.62Å; F473-A477 HydrophobicContact CG-CB 4.26Å; F473-A477 HydrophobicContact CZ-CB 3.4Å; F473-A477 VanDerWaalsContact CZ-CB 3.4Å; F473-A477 VanDerWaalsContact O-CB 3.22Å; F473-A477 WeakPolarHBondContact O-CB 3.47Å; F473-A477 PolarHBondContact O-N 3.08Å; A477-Q483 HydrophobicContact CB-CG 3.9Å; A477-Q483 CarbonylContact O-C 3.53Å; A477-Q483 WeakPolarHBondContact O-CA 3.2Å; A477-L484 HydrophobicContact CB-CB 4.38Å; A477-L484 PolarHBondContact O-N 2.75Å; A477-I489 HydrophobicContact CB-CD1 4.06Å
478G91.4Very high93.1Very high30 Ų3067 Ų6731%0.30934%0.342SS..  trans77.5-157.9-171.700000113.1E474 Q483E474-G478 WeakPolarHBondContact CA-O 3.48Å; E474-G478 VanDerWaalsContact O-CA 3.3Å; E474-G478 WeakPolarHBondContact O-CA 3.24Å; E474-G478 PolarHBondContact O-N 3.44Å; E474-G478 VanDerWaalsContact O-N 3.1Å; G478-Q483 PolarHBondContact O-NE2 2.77Å
479K91.6Very high93.3Very high136 Ų13665.7 Ų65.759%0.59134%0.337SS*.SBendtrans-139.8152.7-171.8-56.7-170.7-174-137.50113.5E474E474-K479 HydrophobicContact CB-CG 4.11Å; E474-K479 VanDerWaalsContact CD-CE 3.48Å; E474-K479 HydrophobicContact CG-CG 4.13Å; E474-K479 WeakPolarHBondContact OE1-CD 3.48Å; E474-K479 IonicContact OE1-NZ 3.7Å; E474-K479 PolarHBondContact OE1-NZ 3.36Å; E474-K479 VanDerWaalsContact OE2-CE 3.23Å; E474-K479 WeakPolarHBondContact OE2-CE 3.5Å; E474-K479 IonicContact OE2-NZ 3.39Å; E474-K479 PolarHBondContact OE2-NZ 2.85Å
480G88.5Confident93.3Very high57 Ų5760.3 Ų60.359%0.58832%0.319SS*.G310 helixtrans72.5-148.8170.700000113.1N482 Q483G480-N482 PolarHBondContact O-N 3.25Å; G480-N482 VanDerWaalsContact O-N 3.14Å; G480-Q483 VanDerWaalsContact O-CB 3.24Å; G480-Q483 WeakPolarHBondContact O-CB 3.32Å; G480-Q483 PolarHBondContact O-N 3.15Å
481K85.1Confident93.4Very high216 Ų21660.3 Ų60.394%0.93932%0.319SS*.G310 helixtrans-64.6-18-175.6-65.9-173.2178.4-174.50114.8
482N88.2Confident93.3Very high146 Ų14665.7 Ų65.778%0.78134%0.343SS*.G310 helixtrans-101.710.4178.7-60.2-14.9000111.7G480 L484G480-N482 PolarHBondContact O-N 3.25Å; G480-N482 VanDerWaalsContact O-N 3.14Å; N482-L484 PolarHBondContact O-N 2.95Å
483Q94.5Very high93.3Very high75 Ų7569 Ų6935%0.3536%0.357SS..PPolyproline II helixtrans-65128.7174.6-173.6170.82900109F473 A477 G478 G480F473-Q483 VanDerWaalsContact CD1-NE2 3.28Å; F473-Q483 HydrophobicContact CE1-CG 4.11Å; F473-Q483 VanDerWaalsContact CE1-NE2 3.27Å; A477-Q483 HydrophobicContact CB-CG 3.9Å; A477-Q483 CarbonylContact O-C 3.53Å; A477-Q483 WeakPolarHBondContact O-CA 3.2Å; G478-Q483 PolarHBondContact O-NE2 2.77Å; G480-Q483 VanDerWaalsContact O-CB 3.24Å; G480-Q483 WeakPolarHBondContact O-CB 3.32Å; G480-Q483 PolarHBondContact O-N 3.15Å
484L93.9Very high93.4Very high72 Ų7266 Ų6638%0.37734%0.344SS..PPolyproline II helixtrans-71.7149.7178.2-61.4178.3000110.5A477 N482 Q488A477-L484 HydrophobicContact CB-CB 4.38Å; A477-L484 PolarHBondContact O-N 2.75Å; N482-L484 PolarHBondContact O-N 2.95Å; L484-Q488 HydrophobicContact CB-CB 4.19Å; L484-Q488 HydrophobicContact CD2-CB 4.4Å
485T96Very high93.6Very high50 Ų5061.9 Ų61.931%0.30733%0.325SS..PPolyproline II helixtrans-80.1157.4165.3550000109.6N487 Q488T485-N487 VanDerWaalsContact C-N 3.25Å; T485-N487 WeakPolarHBondContact CB-OD1 3.32Å; T485-N487 PolarHBondContact O-N 3.31Å; T485-N487 VanDerWaalsContact O-N 3.16Å; T485-N487 PolarHBondContact OG1-OD1 2.72Å; T485-Q488 WeakPolarHBondContact O-CB 3.32Å; T485-Q488 PolarHBondContact O-N 3.22Å; T485-Q488 PolarHBondContact OG1-OE1 3.05Å
486F96.8Very high93.8Very high3 Ų362.6 Ų62.61%0.01332%0.323CS..G310 helixtrans-58.9-35-170.4-159.1-83.9000113.6E357 T358 V369 Y382 H387 F473 I476 Q488 I489 A494 Y497 A498E357-F486 HydrophobicContact CB-CD1 3.64Å; E357-F486 HydrophobicContact CB-CD2 4.39Å; E357-F486 HydrophobicContact CB-CE1 3.59Å; E357-F486 HydrophobicContact CB-CE2 4.38Å; E357-F486 HydrophobicContact CB-CG 4.06Å; E357-F486 HydrophobicContact CB-CZ 3.99Å; E357-F486 HydrophobicContact CG-CD1 4.16Å; E357-F486 HydrophobicContact CG-CE1 3.61Å; E357-F486 HydrophobicContact CG-CE2 4.03Å; E357-F486 HydrophobicContact CG-CZ 3.54Å; E357-F486 VanDerWaalsContact OE2-CD2 3.31Å; E357-F486 WeakPolarHBondContact OE2-CD2 3.1Å; E357-F486 WeakPolarHBondContact OE2-CE2 3.39Å; T358-F486 WeakPolarHBondContact O-CB 3.48Å; V369-F486 HydrophobicContact CB-CD1 4.45Å; V369-F486 HydrophobicContact CG1-CD1 3.9Å; Y382-F486 HydrophobicContact CE2-CE1 4.49Å; Y382-F486 AromaticContact CZ-CE1 3.97Å; Y382-F486 WeakPolarHBondContact OH-CE1 3.31Å; H387-F486 AromaticContact CE1-CD1 3.73Å; H387-F486 AromaticContact CE1-CE1 3.8Å; H387-F486 PolarHBondContact CE1-O 3.38Å; H387-F486 PolarHBondContact ND1-O 3.01Å; H387-F486 AromaticContact NE2-CD1 3.88Å; H387-F486 AromaticContact NE2-CE1 3.8Å; F473-F486 HydrophobicContact CD2-CD2 4.18Å; F473-F486 AromaticContact CE2-CD2 3.75Å; F473-F486 HydrophobicContact CE2-CD2 3.75Å; I476-F486 HydrophobicContact CD1-CE2 4.32Å; F486-Q488 PolarHBondContact O-N 3.49Å; F486-Q488 VanDerWaalsContact O-N 3.09Å; F486-I489 HydrophobicContact CD2-CD1 3.96Å; F486-I489 HydrophobicContact CE2-CD1 4.3Å; F486-I489 HydrophobicContact CG-CD1 4.28Å; F486-I489 WeakPolarHBondContact O-CB 3.42Å; F486-I489 PolarHBondContact O-N 3.37Å; F486-I489 VanDerWaalsContact O-N 3.14Å; F486-A494 HydrophobicContact CE1-CB 3.82Å; F486-A494 HydrophobicContact CZ-CB 3.96Å; F486-Y497 AromaticContact CE2-CD1 3.55Å; F486-Y497 HydrophobicContact CE2-CD1 3.55Å; F486-Y497 AromaticContact CE2-CE1 3.71Å; F486-Y497 HydrophobicContact CE2-CE1 3.71Å; F486-Y497 AromaticContact CZ-CD1 3.86Å; F486-Y497 HydrophobicContact CZ-CD1 3.86Å; F486-Y497 HydrophobicContact CZ-CE1 4.39Å; F486-A498 HydrophobicContact CZ-CB 4.3Å
487N96.8Very high93.9Very high16 Ų1662.8 Ų62.89%0.08632%0.322CS..G310 helixtrans-61.8-14.7175.856.6-64.7000114.7D359 V369 A386 H387 D388 T485D359-N487 WeakPolarHBondContact CB-OD1 3.17Å; V369-N487 HydrophobicContact CG1-CB 3.83Å; V369-N487 HydrophobicContact CG2-CB 3.87Å; A386-N487 WeakPolarHBondContact O-CB 3.36Å; H387-N487 CarbonylContact C-O 3.56Å; H387-N487 VanDerWaalsContact CA-O 3.31Å; H387-N487 WeakPolarHBondContact CA-O 3.09Å; H387-N487 PolarHBondContact ND1-O 2.74Å; D388-N487 PolarHBondContact N-O 2.89Å; D388-N487 PolarHBondContact OD1-ND2 2.95Å; D388-N487 PolarHBondContact OD2-ND2 2.9Å; T485-N487 VanDerWaalsContact C-N 3.25Å; T485-N487 WeakPolarHBondContact CB-OD1 3.32Å; T485-N487 PolarHBondContact O-N 3.31Å; T485-N487 VanDerWaalsContact O-N 3.16Å; T485-N487 PolarHBondContact OG1-OD1 2.72Å
488Q95.7Very high94.1Very high85 Ų8562.6 Ų62.640%0.39732%0.321SS..G310 helixtrans-98.50.6-179.2-58.4-179.5-40.500113L484 T485 F486L484-Q488 HydrophobicContact CB-CB 4.19Å; L484-Q488 HydrophobicContact CD2-CB 4.4Å; T485-Q488 WeakPolarHBondContact O-CB 3.32Å; T485-Q488 PolarHBondContact O-N 3.22Å; T485-Q488 PolarHBondContact OG1-OE1 3.05Å; F486-Q488 PolarHBondContact O-N 3.49Å; F486-Q488 VanDerWaalsContact O-N 3.09Å
489I95.4Very high94.4Very high2 Ų261.1 Ų61.11%0.0131%0.306CS..SBendtrans-88.2137.2-178-57178.1000109.2H387 Y389 F473 I476 A477 F486 L491 E493 A494H387-I489 PolarHBondContact CE1-O 3.41Å; H387-I489 PolarHBondContact ND1-O 3.27Å; Y389-I489 WeakPolarHBondContact CD1-O 3.27Å; Y389-I489 WeakPolarHBondContact CE1-O 3.32Å; F473-I489 HydrophobicContact CD2-CD1 4.34Å; F473-I489 HydrophobicContact CE2-CD1 3.7Å; I476-I489 HydrophobicContact CB-CD1 4.47Å; I476-I489 HydrophobicContact CB-CG2 4.22Å; I476-I489 HydrophobicContact CD1-CD1 3.73Å; I476-I489 HydrophobicContact CD1-CG2 4.31Å; I476-I489 HydrophobicContact CG1-CD1 3.91Å; A477-I489 HydrophobicContact CB-CD1 4.06Å; F486-I489 HydrophobicContact CD2-CD1 3.96Å; F486-I489 HydrophobicContact CE2-CD1 4.3Å; F486-I489 HydrophobicContact CG-CD1 4.28Å; F486-I489 WeakPolarHBondContact O-CB 3.42Å; F486-I489 PolarHBondContact O-N 3.37Å; F486-I489 VanDerWaalsContact O-N 3.14Å; I489-L491 PolarHBondContact O-N 3.16Å; I489-E493 HydrophobicContact CG2-CB 4.1Å; I489-A494 HydrophobicContact CB-CB 4.22Å; I489-A494 HydrophobicContact CG2-CB 3.93Å
490A93.9Very high94.7Very high30 Ų3054.7 Ų54.725%0.24828%0.278CS..  trans-60.2137178.700000111.5Y389 E492 E493 A494Y389-A490 HydrophobicContact CE2-CB 4.49Å; A490-E492 PolarHBondContact O-N 2.82Å; A490-E492 VanDerWaalsContact O-N 3.13Å; A490-E493 PolarHBondContact O-N 2.83Å; A490-A494 WeakPolarHBondContact O-CB 3.34Å; A490-A494 PolarHBondContact O-N 3.36Å
491L95Very high95.2Very high6 Ų652.6 Ų52.63%0.03125%0.253CS..Hα-helixtrans-59.3-27.8-174.4-73.3-173.6000114.2L334 Y382 P384 H387 Y389 P393 Q395 I489 E493 G495L334-L491 HydrophobicContact CD2-CD1 3.85Å; Y382-L491 HydrophobicContact CE1-CD2 4.34Å; P384-L491 HydrophobicContact CB-CD1 4.42Å; P384-L491 HydrophobicContact CB-CD2 3.47Å; P384-L491 VanDerWaalsContact CB-CD2 3.47Å; P384-L491 HydrophobicContact CG-CD1 4.15Å; P384-L491 HydrophobicContact CG-CD2 3.88Å; H387-L491 HydrophobicContact CB-CD2 4.04Å; H387-L491 VanDerWaalsContact CD2-CD2 3.4Å; H387-L491 WeakPolarHBondContact CD2-CD2 3.19Å; Y389-L491 HydrophobicContact CE1-CG 4.15Å; Y389-L491 WeakPolarHBondContact OH-CG 3.45Å; Y389-L491 PolarHBondContact OH-N 3.16Å; P393-L491 HydrophobicContact CB-CD1 4.09Å; P393-L491 HydrophobicContact CG-CD1 3.88Å; Q395-L491 HydrophobicContact CG-CD1 4.42Å; I489-L491 PolarHBondContact O-N 3.16Å; L491-E493 VanDerWaalsContact C-N 3.34Å; L491-G495 WeakPolarHBondContact O-CA 3.39Å; L491-G495 PolarHBondContact O-N 3.21Å
492E92.2Very high95.8Very high140 Ų14042.3 Ų42.365%0.65421%0.209SC*.Hα-helixtrans-64.4-39.9174.3-64.580.4-174.900112A490A490-E492 PolarHBondContact O-N 2.82Å; A490-E492 VanDerWaalsContact O-N 3.13Å
493E95.3Very high96.3Very high101 Ų10135.3 Ų35.347%0.47217%0.171SC..Hα-helixtrans-81.1-46.9178-64.6-176.9135.800110.7I476 I489 A490 L491 G495 R496 Y497I476-E493 HydrophobicContact CG2-CB 4.15Å; I489-E493 HydrophobicContact CG2-CB 4.1Å; A490-E493 PolarHBondContact O-N 2.83Å; L491-E493 VanDerWaalsContact C-N 3.34Å; E493-G495 PolarHBondContact O-N 3.46Å; E493-R496 PolarHBondContact O-N 2.93Å; E493-Y497 WeakPolarHBondContact O-CB 3.31Å; E493-Y497 PolarHBondContact O-N 3.2Å
494A96.7Very high96.4Very high0 Ų031.8 Ų31.80%016%0.155CC..Hα-helixtrans-61.6-43.9179.400000112.2Y382 F486 I489 A490 R496 Y497 A498Y382-A494 HydrophobicContact CE1-CB 4.43Å; F486-A494 HydrophobicContact CE1-CB 3.82Å; F486-A494 HydrophobicContact CZ-CB 3.96Å; I489-A494 HydrophobicContact CB-CB 4.22Å; I489-A494 HydrophobicContact CG2-CB 3.93Å; A490-A494 WeakPolarHBondContact O-CB 3.34Å; A490-A494 PolarHBondContact O-N 3.36Å; A494-R496 PolarHBondContact O-N 3.01Å; A494-Y497 PolarHBondContact O-N 3.04Å; A494-A498 VanDerWaalsContact O-CB 3.31Å; A494-A498 WeakPolarHBondContact O-CB 3.42Å; A494-A498 PolarHBondContact O-N 3.4Å
495G96.7Very high96.7Very high3 Ų328.5 Ų28.53%0.03114%0.138CC..Hα-helixtrans-66.2-37178.700000112.9Y382 L491 E493 A499Y382-G495 VanDerWaalsContact CD1-CA 3.49Å; L491-G495 WeakPolarHBondContact O-CA 3.39Å; L491-G495 PolarHBondContact O-N 3.21Å; E493-G495 PolarHBondContact O-N 3.46Å; G495-A499 WeakPolarHBondContact O-CB 3.26Å; G495-A499 PolarHBondContact O-N 3.08Å
496R96.5Very high96.8Very high122 Ų12226.3 Ų26.346%0.4612%0.124SC..Hα-helixtrans-69.4-44.1175.1-173.2179.7-179.5-179.3-1.2112Y327 I471 E493 A494 E500Y327-R496 HydrophobicContact CD1-CG 3.99Å; Y327-R496 VanDerWaalsContact CD2-NH2 3.27Å; Y327-R496 HydrophobicContact CE1-CG 4.39Å; I471-R496 HydrophobicContact CD1-CG 3.84Å; E493-R496 PolarHBondContact O-N 2.93Å; A494-R496 PolarHBondContact O-N 3.01Å; R496-E500 WeakPolarHBondContact O-CB 3.4Å; R496-E500 PolarHBondContact O-N 2.89Å; R496-E500 VanDerWaalsContact O-N 3.09Å
497Y97.5Very high96.8Very high24 Ų2426.7 Ų26.79%0.09413%0.126CC..Hα-helixtrans-60.4-58.9177173-86.8000111E357 I471 F473 I476 F486 E493 A494 A499 E500 D501E357-Y497 WeakPolarHBondContact OE1-CD1 3.38Å; E357-Y497 VanDerWaalsContact OE1-CE1 3.24Å; E357-Y497 WeakPolarHBondContact OE1-CE1 3.45Å; I471-Y497 HydrophobicContact CB-CD2 4.1Å; I471-Y497 HydrophobicContact CG2-CD2 3.87Å; I471-Y497 WeakPolarHBondContact O-CD2 3.38Å; I471-Y497 WeakPolarHBondContact O-CE2 3.5Å; F473-Y497 HydrophobicContact CB-CE2 4.34Å; I476-Y497 HydrophobicContact CD1-CD1 3.93Å; I476-Y497 HydrophobicContact CD1-CD2 3.53Å; I476-Y497 HydrophobicContact CD1-CE2 4.13Å; I476-Y497 HydrophobicContact CD1-CG 3.42Å; I476-Y497 VanDerWaalsContact CD1-CG 3.42Å; I476-Y497 HydrophobicContact CG1-CD2 4.38Å; F486-Y497 AromaticContact CE2-CD1 3.55Å; F486-Y497 HydrophobicContact CE2-CD1 3.55Å; F486-Y497 AromaticContact CE2-CE1 3.71Å; F486-Y497 HydrophobicContact CE2-CE1 3.71Å; F486-Y497 AromaticContact CZ-CD1 3.86Å; F486-Y497 HydrophobicContact CZ-CD1 3.86Å; F486-Y497 HydrophobicContact CZ-CE1 4.39Å; E493-Y497 WeakPolarHBondContact O-CB 3.31Å; E493-Y497 PolarHBondContact O-N 3.2Å; A494-Y497 PolarHBondContact O-N 3.04Å; Y497-A499 VanDerWaalsContact C-N 3.33Å; Y497-A499 PolarHBondContact O-N 3.41Å; Y497-E500 WeakPolarHBondContact O-CA 3.39Å; Y497-E500 WeakPolarHBondContact O-CB 3.21Å; Y497-E500 PolarHBondContact O-N 3.11Å; Y497-D501 VanDerWaalsContact CE1-OD2 3.29Å; Y497-D501 WeakPolarHBondContact CE1-OD2 3.46Å; Y497-D501 VanDerWaalsContact CZ-OD2 3.23Å; Y497-D501 PolarHBondContact O-N 3.38Å; Y497-D501 PolarHBondContact OH-OD2 2.87Å
498A98.1Very high96.9Very high0 Ų026 Ų260%012%0.122CC..Hα-helixtrans-66-34.9-173.200000112.9E357 S372 Y382 F486 A494 D501 A502E357-A498 HydrophobicContact CG-CB 3.78Å; E357-A498 VanDerWaalsContact OE1-CB 3.3Å; E357-A498 WeakPolarHBondContact OE1-CB 3.39Å; S372-A498 WeakPolarHBondContact CB-O 3.49Å; S372-A498 PolarHBondContact OG-O 3.01Å; Y382-A498 HydrophobicContact CD2-CB 3.3Å; Y382-A498 HydrophobicContact CE2-CB 3.62Å; Y382-A498 HydrophobicContact CG-CB 3.84Å; F486-A498 HydrophobicContact CZ-CB 4.3Å; A494-A498 VanDerWaalsContact O-CB 3.31Å; A494-A498 WeakPolarHBondContact O-CB 3.42Å; A494-A498 PolarHBondContact O-N 3.4Å; A498-D501 PolarHBondContact O-N 3.43Å; A498-A502 PolarHBondContact O-N 3.34Å
499A98.2Very high97Very high0 Ų022.3 Ų22.30%011%0.105CC..Hα-helixtrans-69.9-33173.400000112.2Y330 A380 G495 Y497 D503Y330-A499 HydrophobicContact CD2-CB 3.44Å; Y330-A499 VanDerWaalsContact CD2-CB 3.44Å; Y330-A499 HydrophobicContact CE2-CB 3.86Å; Y330-A499 HydrophobicContact CG-CB 3.81Å; A380-A499 HydrophobicContact CB-CB 3.95Å; A380-A499 VanDerWaalsContact CB-O 3.28Å; A380-A499 WeakPolarHBondContact CB-O 3.39Å; G495-A499 WeakPolarHBondContact O-CB 3.26Å; G495-A499 PolarHBondContact O-N 3.08Å; Y497-A499 VanDerWaalsContact C-N 3.33Å; Y497-A499 PolarHBondContact O-N 3.41Å; A499-D503 WeakPolarHBondContact O-CB 3.46Å; A499-D503 PolarHBondContact O-N 3.46Å
500E98Very high97.1Very high0 Ų026.3 Ų26.30%013%0.126CC..Hα-helixtrans-65.3-43.8172-173.2179.7-12100111.2Y327 Y330 H468 I471 R496 Y497 A502 D503 V504Y327-E500 HydrophobicContact CE1-CB 4.36Å; Y327-E500 HydrophobicContact CE1-CG 4.22Å; Y327-E500 VanDerWaalsContact CE1-OE1 3.27Å; Y327-E500 WeakPolarHBondContact CE1-OE1 3.35Å; Y327-E500 PolarHBondContact OH-OE1 3.29Å; Y330-E500 HydrophobicContact CE2-CB 3.98Å; H468-E500 IonicContact CD2-OE1 3.62Å; H468-E500 IonicContact CE1-OE1 3.65Å; H468-E500 IonicContact NE2-OE1 2.69Å; H468-E500 PolarHBondContact NE2-OE1 3.33Å; I471-E500 WeakPolarHBondContact CB-OE2 3.46Å; I471-E500 VanDerWaalsContact CG1-OE2 3.29Å; I471-E500 WeakPolarHBondContact CG1-OE2 3.3Å; I471-E500 PolarHBondContact N-OE2 2.52Å; R496-E500 WeakPolarHBondContact O-CB 3.4Å; R496-E500 PolarHBondContact O-N 2.89Å; R496-E500 VanDerWaalsContact O-N 3.09Å; Y497-E500 WeakPolarHBondContact O-CA 3.39Å; Y497-E500 WeakPolarHBondContact O-CB 3.21Å; Y497-E500 PolarHBondContact O-N 3.11Å; E500-A502 VanDerWaalsContact C-N 3.32Å; E500-A502 PolarHBondContact O-N 3.08Å; E500-D503 PolarHBondContact O-N 2.98Å; E500-D503 VanDerWaalsContact O-N 3.17Å; E500-V504 HydrophobicContact CG-CG2 3.8Å; E500-V504 VanDerWaalsContact O-CB 3.29Å; E500-V504 WeakPolarHBondContact O-CB 3.48Å; E500-V504 VanDerWaalsContact O-CG2 3.28Å; E500-V504 WeakPolarHBondContact O-CG2 3.39Å; E500-V504 PolarHBondContact O-N 2.84Å
501D97.9Very high97.2Very high13 Ų1327.9 Ų27.97%0.0713%0.127CC..Hα-helixtrans-58.5-44.2179.7-7617.7000111.2M458 Y497 A498 T505M458-D501 HydrophobicContact CE-CB 3.92Å; M458-D501 WeakPolarHBondContact CE-OD1 3.42Å; M458-D501 HydrophobicContact SD-CB 3.98Å; Y497-D501 VanDerWaalsContact CE1-OD2 3.29Å; Y497-D501 WeakPolarHBondContact CE1-OD2 3.46Å; Y497-D501 VanDerWaalsContact CZ-OD2 3.23Å; Y497-D501 PolarHBondContact O-N 3.38Å; Y497-D501 PolarHBondContact OH-OD2 2.87Å; A498-D501 PolarHBondContact O-N 3.43Å; D501-T505 WeakPolarHBondContact O-CB 3.5Å; D501-T505 PolarHBondContact O-N 3.34Å; D501-T505 PolarHBondContact O-OG1 2.86Å
502A98.5Very high97.4Very high0 Ų027.6 Ų27.60%013%0.126CC..Hα-helixtrans-66-43.1174.600000113.2A353 A374 A498 E500 T505 L506A353-A502 HydrophobicContact CB-CB 4.46Å; A353-A502 WeakPolarHBondContact CB-O 3.36Å; A374-A502 HydrophobicContact CB-CB 4.12Å; A498-A502 PolarHBondContact O-N 3.34Å; E500-A502 VanDerWaalsContact C-N 3.32Å; E500-A502 PolarHBondContact O-N 3.08Å; A502-T505 PolarHBondContact O-N 3.42Å; A502-L506 PolarHBondContact O-N 2.84Å
503D98.3Very high97.6Very high0 Ų022.5 Ų22.50%010%0.101CC..Hα-helixtrans-65.7-48.4178.8-177.524.3000111.9Y330 A374 P377 G378 A380 A499 E500 T505 L506 Q507Y330-D503 HydrophobicContact CE1-CB 4.22Å; Y330-D503 VanDerWaalsContact OH-CB 3.32Å; Y330-D503 WeakPolarHBondContact OH-CB 3.35Å; Y330-D503 PolarHBondContact OH-OD2 3.42Å; A374-D503 HydrophobicContact CB-CB 4.36Å; P377-D503 WeakPolarHBondContact CA-OD1 3.26Å; G378-D503 WeakPolarHBondContact CA-OD2 3.34Å; G378-D503 VanDerWaalsContact N-CG 3.27Å; G378-D503 PolarHBondContact N-OD1 3.47Å; G378-D503 PolarHBondContact N-OD2 2.98Å; A380-D503 HydrophobicContact CB-CB 4.18Å; A499-D503 WeakPolarHBondContact O-CB 3.46Å; A499-D503 PolarHBondContact O-N 3.46Å; E500-D503 PolarHBondContact O-N 2.98Å; E500-D503 VanDerWaalsContact O-N 3.17Å; D503-T505 VanDerWaalsContact C-N 3.26Å; D503-T505 PolarHBondContact O-N 2.9Å; D503-L506 WeakPolarHBondContact O-CB 3.45Å; D503-L506 PolarHBondContact O-N 3.39Å; D503-L506 VanDerWaalsContact O-N 3.12Å; D503-Q507 WeakPolarHBondContact O-CG 3.27Å; D503-Q507 PolarHBondContact O-N 3.43Å; D503-Q507 PolarHBondContact OD1-NE2 2.97Å; D503-Q507 PolarHBondContact OD2-NE2 2.96Å
504V98.1Very high97.8Very high0 Ų020.7 Ų20.70%010%0.098CC..Hα-helixtrans-56.9-44.8176.2167.20000110I325 M458 A462 L466 T470 E500 L506 Q507 L508I325-V504 HydrophobicContact CD1-CG2 3.56Å; M458-V504 HydrophobicContact CG-CG1 3.74Å; M458-V504 HydrophobicContact SD-CB 4.23Å; M458-V504 HydrophobicContact SD-CG1 3.98Å; A462-V504 HydrophobicContact CB-CG1 3.78Å; L466-V504 HydrophobicContact CD1-CG1 4.09Å; T470-V504 HydrophobicContact CG2-CG1 4.22Å; T470-V504 HydrophobicContact CG2-CG2 4.08Å; E500-V504 HydrophobicContact CG-CG2 3.8Å; E500-V504 VanDerWaalsContact O-CB 3.29Å; E500-V504 WeakPolarHBondContact O-CB 3.48Å; E500-V504 VanDerWaalsContact O-CG2 3.28Å; E500-V504 WeakPolarHBondContact O-CG2 3.39Å; E500-V504 PolarHBondContact O-N 2.84Å; V504-L506 PolarHBondContact O-N 2.81Å; V504-Q507 PolarHBondContact O-N 3.09Å; V504-L508 HydrophobicContact CG1-CD1 3.91Å; V504-L508 HydrophobicContact CG1-CG 4.2Å; V504-L508 WeakPolarHBondContact O-CB 3.48Å; V504-L508 VanDerWaalsContact O-CG 3.23Å; V504-L508 WeakPolarHBondContact O-CG 3.47Å; V504-L508 PolarHBondContact O-N 3.37Å
505T98.6Very high97.8Very high3 Ų322.9 Ų22.92%0.01811%0.109CC..Hα-helixtrans-59.1-45.6175.9-65.50000112.1A353 G418 Q419 T442 D501 A502 D503 Q507 L508 H509A353-T505 HydrophobicContact CB-CG2 4.44Å; G418-T505 VanDerWaalsContact CA-CG2 3.49Å; Q419-T505 HydrophobicContact CB-CG2 4.31Å; T442-T505 HydrophobicContact CG2-CG2 4.15Å; T442-T505 WeakPolarHBondContact CG2-O 3.35Å; D501-T505 WeakPolarHBondContact O-CB 3.5Å; D501-T505 PolarHBondContact O-N 3.34Å; D501-T505 PolarHBondContact O-OG1 2.86Å; A502-T505 PolarHBondContact O-N 3.42Å; D503-T505 VanDerWaalsContact C-N 3.26Å; D503-T505 PolarHBondContact O-N 2.9Å; T505-Q507 PolarHBondContact O-N 3.33Å; T505-L508 PolarHBondContact O-N 3.33Å; T505-H509 PolarHBondContact O-N 2.74Å; T505-H509 VanDerWaalsContact O-N 3.12Å
506L98.5Very high97.8Very high4 Ų422.7 Ų22.72%0.02111%0.108CC..Hα-helixtrans-60.6-46.2175.1-176.260.1000111.6A353 A374 V417 A502 D503 V504 L508 H509 L510A353-L506 HydrophobicContact CB-CB 3.83Å; A374-L506 HydrophobicContact CB-CB 4.27Å; A374-L506 HydrophobicContact CB-CD2 4.11Å; V417-L506 HydrophobicContact CG1-CD1 4.01Å; A502-L506 PolarHBondContact O-N 2.84Å; D503-L506 WeakPolarHBondContact O-CB 3.45Å; D503-L506 PolarHBondContact O-N 3.39Å; D503-L506 VanDerWaalsContact O-N 3.12Å; V504-L506 PolarHBondContact O-N 2.81Å; L506-L508 PolarHBondContact O-N 2.91Å; L506-H509 WeakPolarHBondContact O-CB 3.29Å; L506-H509 PolarHBondContact O-N 3.19Å; L506-L510 HydrophobicContact CG-CD1 4.16Å; L506-L510 VanDerWaalsContact O-CG 3.31Å; L506-L510 WeakPolarHBondContact O-CG 3.34Å; L506-L510 PolarHBondContact O-N 3.29Å
507Q97.9Very high97.9Very high12 Ų1221.6 Ų21.66%0.05611%0.108CC..Hα-helixtrans-68-34.7-178.2-69.9-173.648.900113P377 L466 D503 V504 T505 L510 K511P377-Q507 HydrophobicContact CB-CG 3.93Å; P377-Q507 HydrophobicContact CG-CG 4.12Å; L466-Q507 HydrophobicContact CD1-CB 4Å; L466-Q507 HydrophobicContact CD2-CB 4.18Å; D503-Q507 WeakPolarHBondContact O-CG 3.27Å; D503-Q507 PolarHBondContact O-N 3.43Å; D503-Q507 PolarHBondContact OD1-NE2 2.97Å; D503-Q507 PolarHBondContact OD2-NE2 2.96Å; V504-Q507 PolarHBondContact O-N 3.09Å; T505-Q507 PolarHBondContact O-N 3.33Å; Q507-L510 PolarHBondContact O-N 3.05Å; Q507-K511 PolarHBondContact O-N 3.4Å; Q507-K511 VanDerWaalsContact O-N 3.16Å
508L98.3Very high97.9Very high0 Ų027.2 Ų27.20%013%0.133CC..Hα-helixtrans-59.3-50.5171.5-78.4175.8000110.4T442 M458 L461 W465 L466 V504 T505 L506 L510 K511 M512T442-L508 HydrophobicContact CG2-CB 3.93Å; M458-L508 HydrophobicContact CG-CD1 4.09Å; L461-L508 HydrophobicContact CB-CD1 3.79Å; L461-L508 HydrophobicContact CB-CD2 3.84Å; L461-L508 HydrophobicContact CB-CG 4.49Å; L461-L508 HydrophobicContact CD1-CD1 4.48Å; W465-L508 HydrophobicContact CB-CD2 3.82Å; W465-L508 HydrophobicContact CG-CD2 4.42Å; L466-L508 HydrophobicContact CD1-CD2 4.17Å; L466-L508 HydrophobicContact CD1-CG 4.16Å; L466-L508 HydrophobicContact CD2-CD2 4.46Å; L466-L508 HydrophobicContact CG-CD2 3.97Å; L466-L508 HydrophobicContact CG-CG 4.48Å; V504-L508 HydrophobicContact CG1-CD1 3.91Å; V504-L508 HydrophobicContact CG1-CG 4.2Å; V504-L508 WeakPolarHBondContact O-CB 3.48Å; V504-L508 VanDerWaalsContact O-CG 3.23Å; V504-L508 WeakPolarHBondContact O-CG 3.47Å; V504-L508 PolarHBondContact O-N 3.37Å; T505-L508 PolarHBondContact O-N 3.33Å; L506-L508 PolarHBondContact O-N 2.91Å; L508-L510 PolarHBondContact O-N 2.76Å; L508-K511 PolarHBondContact O-N 3.02Å; L508-K511 VanDerWaalsContact O-N 3.13Å; L508-M512 HydrophobicContact CB-CE 3.91Å; L508-M512 WeakPolarHBondContact O-CB 3.21Å; L508-M512 WeakPolarHBondContact O-CG 3.45Å; L508-M512 PolarHBondContact O-N 3.04Å
509H98.5Very high97.8Very high8 Ų829.6 Ų29.64%0.03714%0.143CC..Hα-helixtrans-57-48.9175.7169.269.4000112.1V417 F440 T442 E445 T505 L506 K511 M512 W513V417-H509 HydrophobicContact CG2-CB 3.69Å; F440-H509 AromaticContact CD1-CE1 3.53Å; F440-H509 AromaticContact CD2-CE1 3.37Å; F440-H509 WeakPolarHBondContact CD2-CE1 3.3Å; F440-H509 AromaticContact CD2-NE2 3.78Å; F440-H509 AromaticContact CE1-CE1 3.85Å; F440-H509 AromaticContact CE2-CE1 3.69Å; F440-H509 AromaticContact CE2-NE2 3.9Å; F440-H509 AromaticContact CG-CE1 3.29Å; F440-H509 WeakPolarHBondContact CG-CE1 3.49Å; F440-H509 AromaticContact CG-ND1 3.66Å; F440-H509 AromaticContact CZ-CE1 3.92Å; T442-H509 HydrophobicContact CG2-CB 3.8Å; E445-H509 IonicContact OE1-CE1 3.1Å; E445-H509 PolarHBondContact OE1-CE1 3.22Å; E445-H509 IonicContact OE1-CG 2.7Å; E445-H509 IonicContact OE1-ND1 3.45Å; E445-H509 PolarHBondContact OE1-ND1 3.22Å; E445-H509 WeakPolarHBondContact OE2-CA 3.29Å; E445-H509 IonicContact OE2-ND1 2.78Å; T505-H509 PolarHBondContact O-N 2.74Å; T505-H509 VanDerWaalsContact O-N 3.12Å; L506-H509 WeakPolarHBondContact O-CB 3.29Å; L506-H509 PolarHBondContact O-N 3.19Å; H509-K511 PolarHBondContact O-N 3.01Å; H509-K511 VanDerWaalsContact O-N 3.08Å; H509-M512 PolarHBondContact O-N 3.2Å; H509-W513 VanDerWaalsContact CE1-CB 3.47Å; H509-W513 WeakPolarHBondContact CE1-CB 3.41Å; H509-W513 AromaticContact CE1-CD1 3.84Å; H509-W513 AromaticContact CE1-CG 3.53Å; H509-W513 WeakPolarHBondContact O-CB 3.49Å; H509-W513 PolarHBondContact O-N 2.99Å
510L97.3Very high97.8Very high87 Ų8738.4 Ų38.446%0.45518%0.182SC..Hα-helixtrans-59.1-24.7179.4-69.9173.7000113.4P377 L506 Q507 L508 P514P377-L510 HydrophobicContact CG-CD1 3.84Å; L506-L510 HydrophobicContact CG-CD1 4.16Å; L506-L510 VanDerWaalsContact O-CG 3.31Å; L506-L510 WeakPolarHBondContact O-CG 3.34Å; L506-L510 PolarHBondContact O-N 3.29Å; Q507-L510 PolarHBondContact O-N 3.05Å; L508-L510 PolarHBondContact O-N 2.76Å; L510-P514 WeakPolarHBondContact O-CD 2.91Å; L510-P514 WeakPolarHBondContact O-CG 3.32Å
511K95.8Very high97.8Very high63 Ų6339.3 Ų39.327%0.27419%0.191SC..Hα-helixtrans-90.4-43.8173.4-71.4-157.9-170.4179.30113.8T323 W465 L466 Q507 L508 H509T323-K511 WeakPolarHBondContact OG1-CE 3.24Å; T323-K511 PolarHBondContact OG1-NZ 3.46Å; W465-K511 VanDerWaalsContact O-CD 3.24Å; W465-K511 WeakPolarHBondContact O-CD 3.32Å; W465-K511 PolarHBondContact O-NZ 3.25Å; L466-K511 HydrophobicContact CD2-CD 3.69Å; L466-K511 VanDerWaalsContact CD2-CE 3.48Å; L466-K511 HydrophobicContact CD2-CG 4.24Å; Q507-K511 PolarHBondContact O-N 3.4Å; Q507-K511 VanDerWaalsContact O-N 3.16Å; L508-K511 PolarHBondContact O-N 3.02Å; L508-K511 VanDerWaalsContact O-N 3.13Å; H509-K511 PolarHBondContact O-N 3.01Å; H509-K511 VanDerWaalsContact O-N 3.08Å
512M98Very high97.8Very high0 Ų038.8 Ų38.80%019%0.188CC..Hα-helixtrans-80-38.9-172.6-68.6-171.9-58.100112.7T442 E445 L449 L461 W465 L508 H509 D515 L516T442-M512 HydrophobicContact CG2-CE 3.96Å; T442-M512 WeakPolarHBondContact O-CE 3.34Å; E445-M512 HydrophobicContact CB-CB 4.36Å; E445-M512 HydrophobicContact CB-CE 4.09Å; L449-M512 HydrophobicContact CD1-CB 3.93Å; L449-M512 HydrophobicContact CD1-CG 4.24Å; L461-M512 HydrophobicContact CD1-CE 4.5Å; W465-M512 HydrophobicContact CD2-CG 3.75Å; W465-M512 HydrophobicContact CD2-SD 4.25Å; W465-M512 HydrophobicContact CE3-CG 4.03Å; W465-M512 HydrophobicContact CG-CG 4.18Å; W465-M512 HydrophobicContact CG-SD 4.3Å; W465-M512 HydrophobicContact CH2-CG 4.27Å; W465-M512 HydrophobicContact CZ2-CG 4Å; W465-M512 HydrophobicContact CZ2-SD 4.31Å; W465-M512 HydrophobicContact CZ3-CG 4.28Å; L508-M512 HydrophobicContact CB-CE 3.91Å; L508-M512 WeakPolarHBondContact O-CB 3.21Å; L508-M512 WeakPolarHBondContact O-CG 3.45Å; L508-M512 PolarHBondContact O-N 3.04Å; H509-M512 PolarHBondContact O-N 3.2Å; M512-D515 WeakPolarHBondContact O-CB 3.42Å; M512-D515 PolarHBondContact O-N 3.44Å; M512-L516 PolarHBondContact O-N 3.47Å
513W98Very high97.8Very high33 Ų3340.1 Ų40.113%0.12520%0.195CC..Hα-helixtrans-59.4-47.3-176.8178.1-116.9000113.3F440 H509 D515 L516 Q517 L523 F526 E527F440-W513 HydrophobicContact CD1-CD2 4.1Å; F440-W513 AromaticContact CD1-CE3 3.93Å; F440-W513 HydrophobicContact CD1-CE3 3.93Å; F440-W513 HydrophobicContact CD1-CH2 4.41Å; F440-W513 HydrophobicContact CD1-CZ3 4.1Å; F440-W513 AromaticContact CE1-CD2 3.71Å; F440-W513 HydrophobicContact CE1-CD2 3.71Å; F440-W513 AromaticContact CE1-CE2 3.53Å; F440-W513 AromaticContact CE1-CE3 3.85Å; F440-W513 HydrophobicContact CE1-CE3 3.85Å; F440-W513 HydrophobicContact CE1-CG 4.43Å; F440-W513 AromaticContact CE1-CH2 3.75Å; F440-W513 HydrophobicContact CE1-CH2 3.75Å; F440-W513 AromaticContact CE1-CZ2 3.57Å; F440-W513 HydrophobicContact CE1-CZ2 3.57Å; F440-W513 AromaticContact CE1-CZ3 3.88Å; F440-W513 HydrophobicContact CE1-CZ3 3.88Å; F440-W513 HydrophobicContact CZ-CZ2 4.25Å; H509-W513 VanDerWaalsContact CE1-CB 3.47Å; H509-W513 WeakPolarHBondContact CE1-CB 3.41Å; H509-W513 AromaticContact CE1-CD1 3.84Å; H509-W513 AromaticContact CE1-CG 3.53Å; H509-W513 WeakPolarHBondContact O-CB 3.49Å; H509-W513 PolarHBondContact O-N 2.99Å; W513-D515 PolarHBondContact O-N 3.34Å; W513-L516 HydrophobicContact CE3-CD2 3.91Å; W513-L516 HydrophobicContact CZ3-CD2 3.78Å; W513-L516 HydrophobicContact CZ3-CG 4.47Å; W513-L516 PolarHBondContact O-N 2.88Å; W513-Q517 HydrophobicContact CD2-CG 4.11Å; W513-Q517 HydrophobicContact CH2-CG 4.33Å; W513-Q517 HydrophobicContact CZ2-CG 3.83Å; W513-Q517 VanDerWaalsContact NE1-NE2 3.18Å; W513-Q517 WeakPolarHBondContact O-CG 3.48Å; W513-Q517 PolarHBondContact O-N 2.94Å; W513-L523 HydrophobicContact CH2-CD1 3.49Å; W513-L523 VanDerWaalsContact CH2-CD1 3.49Å; W513-L523 HydrophobicContact CZ2-CD1 4.34Å; W513-L523 HydrophobicContact CZ3-CD1 3.84Å; W513-F526 HydrophobicContact CE3-CE1 4.24Å; W513-F526 HydrophobicContact CH2-CD1 4.27Å; W513-F526 HydrophobicContact CH2-CE1 4.21Å; W513-F526 AromaticContact CZ3-CD1 3.64Å; W513-F526 HydrophobicContact CZ3-CD1 3.64Å; W513-F526 AromaticContact CZ3-CE1 3.5Å; W513-F526 HydrophobicContact CZ3-CE1 3.5Å; W513-F526 HydrophobicContact CZ3-CZ 4.32Å; W513-E527 HydrophobicContact CH2-CG 4.47Å
514P98Very high97.8Very high63 Ų6342.7 Ų42.741%0.40921%0.209SC..Hα-helixtrans-61-27.9174.7-24.135.1000113.9L510 K518L510-P514 WeakPolarHBondContact O-CD 2.91Å; L510-P514 WeakPolarHBondContact O-CG 3.32Å; P514-K518 WeakPolarHBondContact O-CE 3.36Å; P514-K518 WeakPolarHBondContact O-CG 3.31Å
515D96.3Very high97.8Very high45 Ų4542.7 Ų42.724%0.24121%0.209CC..Hα-helixtrans-75.3-44.3176.5-158.659000111.3L449 M512 W513 Q517 K518L449-D515 HydrophobicContact CD2-CB 4.36Å; M512-D515 WeakPolarHBondContact O-CB 3.42Å; M512-D515 PolarHBondContact O-N 3.44Å; W513-D515 PolarHBondContact O-N 3.34Å; D515-Q517 VanDerWaalsContact C-N 3.3Å; D515-Q517 PolarHBondContact O-N 3.38Å; D515-K518 WeakPolarHBondContact O-CB 3.42Å; D515-K518 PolarHBondContact O-N 3.5Å; D515-K518 VanDerWaalsContact O-N 3.11Å; D515-K518 IonicContact OD1-NZ 3.19Å; D515-K518 PolarHBondContact OD1-NZ 3.37Å
516L97.8Very high97.8Very high0 Ų042.7 Ų42.70%021%0.209CC..Hα-helixtrans-59.6-41176.7-179.361.4000111.8E445 I448 L449 M512 W513 K518 H519 P522 L523 F526E445-L516 HydrophobicContact CG-CD2 4.38Å; I448-L516 HydrophobicContact CB-CD1 4.36Å; I448-L516 HydrophobicContact CG2-CD1 3.55Å; L449-L516 HydrophobicContact CD2-CB 4.06Å; L449-L516 HydrophobicContact CD2-CD1 4.19Å; L449-L516 HydrophobicContact CG-CB 4.21Å; L449-L516 HydrophobicContact CG-CD1 4.21Å; M512-L516 PolarHBondContact O-N 3.47Å; W513-L516 HydrophobicContact CE3-CD2 3.91Å; W513-L516 HydrophobicContact CZ3-CD2 3.78Å; W513-L516 HydrophobicContact CZ3-CG 4.47Å; W513-L516 PolarHBondContact O-N 2.88Å; L516-K518 PolarHBondContact O-N 3.07Å; L516-K518 VanDerWaalsContact O-N 3.12Å; L516-H519 PolarHBondContact O-N 3.41Å; L516-P522 HydrophobicContact CD1-CB 3.73Å; L516-L523 HydrophobicContact CG-CD1 4.5Å; L516-F526 HydrophobicContact CD2-CB 3.96Å; L516-F526 HydrophobicContact CD2-CD1 4.12Å; L516-F526 HydrophobicContact CD2-CD2 3.9Å; L516-F526 HydrophobicContact CD2-CE2 4.41Å; L516-F526 HydrophobicContact CD2-CG 3.73Å
517Q98Very high97.8Very high99 Ų9946.8 Ų46.846%0.46323%0.228SC..THydrogen-bonded Turntrans-60.3-21.9178.1-73.6-176.5-45.400114.2W513 D515 H519 L523W513-Q517 HydrophobicContact CD2-CG 4.11Å; W513-Q517 HydrophobicContact CH2-CG 4.33Å; W513-Q517 HydrophobicContact CZ2-CG 3.83Å; W513-Q517 VanDerWaalsContact NE1-NE2 3.18Å; W513-Q517 WeakPolarHBondContact O-CG 3.48Å; W513-Q517 PolarHBondContact O-N 2.94Å; D515-Q517 VanDerWaalsContact C-N 3.3Å; D515-Q517 PolarHBondContact O-N 3.38Å; Q517-H519 PolarHBondContact O-N 3.34Å; Q517-L523 HydrophobicContact CG-CD1 4.36Å
518K97.8Very high97.8Very high142 Ų14250.2 Ų50.262%0.61725%0.247SC*.THydrogen-bonded Turntrans-69.7-16.2176.7-60.9167.9-167.4163.40112.5P514 D515 L516P514-K518 WeakPolarHBondContact O-CE 3.36Å; P514-K518 WeakPolarHBondContact O-CG 3.31Å; D515-K518 WeakPolarHBondContact O-CB 3.42Å; D515-K518 PolarHBondContact O-N 3.5Å; D515-K518 VanDerWaalsContact O-N 3.11Å; D515-K518 IonicContact OD1-NZ 3.19Å; D515-K518 PolarHBondContact OD1-NZ 3.37Å; L516-K518 PolarHBondContact O-N 3.07Å; L516-K518 VanDerWaalsContact O-N 3.12Å
519H96.5Very high97.8Very high49 Ų4950.3 Ų50.323%0.22725%0.247CC..  trans-120.898.1-170.5-57.8-46.8000111.2L516 Q517 G521 P522 L523 R822L516-H519 PolarHBondContact O-N 3.41Å; Q517-H519 PolarHBondContact O-N 3.34Å; H519-G521 VanDerWaalsContact C-N 3.29Å; H519-G521 PolarHBondContact O-N 3Å; H519-P522 HydrophobicContact CB-CB 4.15Å; H519-P522 HydrophobicContact CB-CG 3.76Å; H519-P522 WeakPolarHBondContact O-CD 3.4Å; H519-L523 VanDerWaalsContact O-CB 3.24Å; H519-L523 WeakPolarHBondContact O-CB 3.31Å; H519-L523 PolarHBondContact O-N 2.86Å; H519-R822 PolarHBondContact CD2-NH1 3.24Å; H519-R822 PolarHBondContact CE1-NH1 2.89Å; H519-R822 VanDerWaalsContact CE1-NH1 3.32Å; H519-R822 PolarHBondContact ND1-NH1 3.22Å; H519-R822 PolarHBondContact ND1-NH2 3.24Å; H519-R822 PolarHBondContact NE2-NH1 2.99Å
520K97.4Very high97.8Very high186 Ų18649.9 Ų49.981%0.80925%0.245SC*.Hα-helixtrans-53.5-40.1-175.7-66.1-174.3178.8-176.90114.5N524K520-N524 VanDerWaalsContact O-CB 3.3Å; K520-N524 WeakPolarHBondContact O-CB 3.23Å; K520-N524 PolarHBondContact O-N 2.98Å
521G97.6Very high97.9Very high18 Ų1846.6 Ų46.619%0.18623%0.227CC..Hα-helixtrans-65.4-61.9178.900000112.3H519 L523 N524 V525 G820H519-G521 VanDerWaalsContact C-N 3.29Å; H519-G521 PolarHBondContact O-N 3Å; G521-L523 VanDerWaalsContact C-N 3.27Å; G521-L523 PolarHBondContact O-N 3.44Å; G521-N524 WeakPolarHBondContact O-CB 3.21Å; G521-N524 PolarHBondContact O-N 3.49Å; G521-N524 VanDerWaalsContact O-N 3.07Å; G521-V525 PolarHBondContact O-N 2.92Å; G521-V525 VanDerWaalsContact O-N 3.11Å; G521-G820 CarbonylContact C-O 3.17Å; G521-G820 WeakPolarHBondContact CA-O 3.23Å
522P98.2Very high98Very high2 Ų245.6 Ų45.61%0.01323%0.227CC..Hα-helixtrans-51-44.5173.1-31.337.3000113.3I448 L516 H519 N524 V525 F526 G820 R822I448-P522 HydrophobicContact CG2-CB 3.62Å; I448-P522 WeakPolarHBondContact CG2-O 3.4Å; L516-P522 HydrophobicContact CD1-CB 3.73Å; H519-P522 HydrophobicContact CB-CB 4.15Å; H519-P522 HydrophobicContact CB-CG 3.76Å; H519-P522 WeakPolarHBondContact O-CD 3.4Å; P522-N524 PolarHBondContact O-N 3.29Å; P522-V525 PolarHBondContact O-N 3.43Å; P522-F526 PolarHBondContact O-N 2.94Å; P522-G820 WeakPolarHBondContact CD-O 3.35Å; P522-G820 VanDerWaalsContact N-O 3.12Å; P522-R822 HydrophobicContact CG-CB 4.43Å; P522-R822 HydrophobicContact CG-CG 3.86Å
523L98.5Very high98Very high29 Ų2945.6 Ų45.615%0.15223%0.227CC..Hα-helixtrans-58.4-46.2176.2-177.565.4000112.3W513 L516 Q517 H519 G521 V525 F526 E527W513-L523 HydrophobicContact CH2-CD1 3.49Å; W513-L523 VanDerWaalsContact CH2-CD1 3.49Å; W513-L523 HydrophobicContact CZ2-CD1 4.34Å; W513-L523 HydrophobicContact CZ3-CD1 3.84Å; L516-L523 HydrophobicContact CG-CD1 4.5Å; Q517-L523 HydrophobicContact CG-CD1 4.36Å; H519-L523 VanDerWaalsContact O-CB 3.24Å; H519-L523 WeakPolarHBondContact O-CB 3.31Å; H519-L523 PolarHBondContact O-N 2.86Å; G521-L523 VanDerWaalsContact C-N 3.27Å; G521-L523 PolarHBondContact O-N 3.44Å; L523-V525 VanDerWaalsContact C-N 3.31Å; L523-V525 PolarHBondContact O-N 3.26Å; L523-F526 PolarHBondContact O-N 3.29Å; L523-E527 HydrophobicContact CD1-CG 4.05Å; L523-E527 HydrophobicContact CG-CG 4.42Å; L523-E527 WeakPolarHBondContact O-CG 3.3Å; L523-E527 PolarHBondContact O-N 3.39Å
524N98.5Very high98.1Very high54 Ų5444 Ų4429%0.28922%0.222SC..Hα-helixtrans-58.3-42.8176.9174.367.5000112.1K520 G521 P522 N528 D819K520-N524 VanDerWaalsContact O-CB 3.3Å; K520-N524 WeakPolarHBondContact O-CB 3.23Å; K520-N524 PolarHBondContact O-N 2.98Å; G521-N524 WeakPolarHBondContact O-CB 3.21Å; G521-N524 PolarHBondContact O-N 3.49Å; G521-N524 VanDerWaalsContact O-N 3.07Å; P522-N524 PolarHBondContact O-N 3.29Å; N524-N528 VanDerWaalsContact O-CB 3.26Å; N524-N528 WeakPolarHBondContact O-CB 3.28Å; N524-N528 PolarHBondContact O-N 3.32Å; N524-N528 PolarHBondContact O-ND2 3.33Å; N524-N528 PolarHBondContact OD1-ND2 3.03Å; N524-D819 PolarHBondContact ND2-O 3.07Å
525V98.5Very high98.1Very high0 Ų042.3 Ų42.30%021%0.21CC..Hα-helixtrans-67.3-40.2178.3176.70000111.4I448 G521 P522 L523 I529 E530 D819 R821I448-V525 HydrophobicContact CD1-CB 4.42Å; I448-V525 HydrophobicContact CD1-CG1 3.68Å; G521-V525 PolarHBondContact O-N 2.92Å; G521-V525 VanDerWaalsContact O-N 3.11Å; P522-V525 PolarHBondContact O-N 3.43Å; L523-V525 VanDerWaalsContact C-N 3.31Å; L523-V525 PolarHBondContact O-N 3.26Å; V525-I529 HydrophobicContact CG1-CB 4.37Å; V525-I529 HydrophobicContact CG1-CD1 4.42Å; V525-I529 CarbonylContact O-C 3.56Å; V525-I529 WeakPolarHBondContact O-CA 3.05Å; V525-I529 VanDerWaalsContact O-CB 3.29Å; V525-I529 WeakPolarHBondContact O-CB 3.29Å; V525-I529 PolarHBondContact O-N 3.41Å; V525-E530 HydrophobicContact CG1-CG 4.27Å; V525-E530 PolarHBondContact O-N 2.78Å; V525-D819 HydrophobicContact CG2-CB 3.91Å; V525-D819 WeakPolarHBondContact CG2-O 3.46Å; V525-R821 HydrophobicContact CG1-CB 4.33Å; V525-R821 VanDerWaalsContact CG1-NH2 3.25Å; V525-R821 HydrophobicContact CG2-CB 3.99Å
526F98.7Very high98.2Very high2 Ų240.2 Ų40.21%0.00920%0.199CC..Iπ-helixtrans-61.3-54176.2-178.9-94.4000111.5F440 L444 E445 I448 W513 L516 P522 L523 M531F440-F526 AromaticContact CD1-CE1 3.98Å; F440-F526 HydrophobicContact CD1-CE1 3.98Å; F440-F526 HydrophobicContact CD1-CZ 4.14Å; L444-F526 HydrophobicContact CB-CD2 4.35Å; L444-F526 HydrophobicContact CB-CE2 3.99Å; E445-F526 HydrophobicContact CB-CE2 4.32Å; E445-F526 HydrophobicContact CG-CD2 4.37Å; E445-F526 HydrophobicContact CG-CE2 3.49Å; E445-F526 VanDerWaalsContact CG-CE2 3.49Å; E445-F526 HydrophobicContact CG-CZ 3.66Å; I448-F526 HydrophobicContact CG1-CB 4.38Å; I448-F526 HydrophobicContact CG1-CD2 4.36Å; I448-F526 HydrophobicContact CG2-CB 4.28Å; W513-F526 HydrophobicContact CE3-CE1 4.24Å; W513-F526 HydrophobicContact CH2-CD1 4.27Å; W513-F526 HydrophobicContact CH2-CE1 4.21Å; W513-F526 AromaticContact CZ3-CD1 3.64Å; W513-F526 HydrophobicContact CZ3-CD1 3.64Å; W513-F526 AromaticContact CZ3-CE1 3.5Å; W513-F526 HydrophobicContact CZ3-CE1 3.5Å; W513-F526 HydrophobicContact CZ3-CZ 4.32Å; L516-F526 HydrophobicContact CD2-CB 3.96Å; L516-F526 HydrophobicContact CD2-CD1 4.12Å; L516-F526 HydrophobicContact CD2-CD2 3.9Å; L516-F526 HydrophobicContact CD2-CE2 4.41Å; L516-F526 HydrophobicContact CD2-CG 3.73Å; P522-F526 PolarHBondContact O-N 2.94Å; L523-F526 PolarHBondContact O-N 3.29Å; F526-M531 HydrophobicContact CD1-CG 3.83Å; F526-M531 HydrophobicContact CD2-CG 4.16Å; F526-M531 HydrophobicContact CE1-CG 3.45Å; F526-M531 VanDerWaalsContact CE1-CG 3.45Å; F526-M531 HydrophobicContact CE1-SD 4.18Å; F526-M531 HydrophobicContact CE2-CG 3.8Å; F526-M531 HydrophobicContact CE2-SD 3.75Å; F526-M531 HydrophobicContact CG-CG 4.18Å; F526-M531 HydrophobicContact CZ-CG 3.45Å; F526-M531 VanDerWaalsContact CZ-CG 3.45Å; F526-M531 HydrophobicContact CZ-SD 3.54Å; F526-M531 VanDerWaalsContact CZ-SD 3.54Å; F526-M531 WeakPolarHBondContact O-CB 3.06Å; F526-M531 WeakPolarHBondContact O-CG 3.01Å; F526-M531 PolarHBondContact O-N 3.07Å
527E98.3Very high98.2Very high90 Ų9040.2 Ų40.242%0.42120%0.199SC..Iπ-helixtrans-72.8-36.6-173.4-67.6-179.9153.900113.3W513 L523 P532W513-E527 HydrophobicContact CH2-CG 4.47Å; L523-E527 HydrophobicContact CD1-CG 4.05Å; L523-E527 HydrophobicContact CG-CG 4.42Å; L523-E527 WeakPolarHBondContact O-CG 3.3Å; L523-E527 PolarHBondContact O-N 3.39Å; E527-P532 WeakPolarHBondContact O-CD 3.12Å; E527-P532 WeakPolarHBondContact O-CG 3.18Å
528N98.1Very high98.2Very high85 Ų8535.9 Ų35.946%0.45518%0.18SC..Iπ-helixtrans-107.7-7.7-170.2-58.8-65.2000114.1N524N524-N528 VanDerWaalsContact O-CB 3.26Å; N524-N528 WeakPolarHBondContact O-CB 3.28Å; N524-N528 PolarHBondContact O-N 3.32Å; N524-N528 PolarHBondContact O-ND2 3.33Å; N524-N528 PolarHBondContact OD1-ND2 3.03Å
529I98.6Very high98.2Very high1 Ų131.6 Ų31.61%0.00516%0.16CC..Iπ-helixtrans-128.2-64.2179.8-51.1-177.4000111.1V525 L533 D819 D854 K857 R858 I861V525-I529 HydrophobicContact CG1-CB 4.37Å; V525-I529 HydrophobicContact CG1-CD1 4.42Å; V525-I529 CarbonylContact O-C 3.56Å; V525-I529 WeakPolarHBondContact O-CA 3.05Å; V525-I529 VanDerWaalsContact O-CB 3.29Å; V525-I529 WeakPolarHBondContact O-CB 3.29Å; V525-I529 PolarHBondContact O-N 3.41Å; I529-L533 WeakPolarHBondContact O-CB 3.46Å; I529-L533 PolarHBondContact O-N 3.09Å; I529-D819 HydrophobicContact CD1-CB 3.8Å; I529-D854 HydrophobicContact CD1-CB 3.9Å; I529-K857 HydrophobicContact CG2-CB 3.62Å; I529-K857 HydrophobicContact CG2-CD 3.77Å; I529-K857 HydrophobicContact CG2-CG 4.37Å; I529-R858 HydrophobicContact CD1-CG 4.07Å; I529-R858 HydrophobicContact CG1-CG 3.98Å; I529-I861 WeakPolarHBondContact O-CD1 3.27Å
530E98.6Very high98.2Very high0 Ų029.4 Ų29.40%015%0.15CC..Iπ-helixtrans-71.5-46.6-169.9-61.5-62.4173.900113.6L444 I448 V525 L533 V534 Q661 R821 K857L444-E530 HydrophobicContact CD1-CB 4.18Å; I448-E530 HydrophobicContact CD1-CG 3.69Å; I448-E530 HydrophobicContact CG1-CG 3.99Å; V525-E530 HydrophobicContact CG1-CG 4.27Å; V525-E530 PolarHBondContact O-N 2.78Å; E530-L533 PolarHBondContact O-N 2.92Å; E530-V534 PolarHBondContact O-N 3.33Å; E530-Q661 PolarHBondContact O-NE2 3.45Å; E530-Q661 PolarHBondContact OE2-NE2 3.03Å; E530-R821 IonicContact OE1-CZ 2.91Å; E530-R821 IonicContact OE1-NH1 3.3Å; E530-R821 PolarHBondContact OE1-NH1 3.39Å; E530-R821 IonicContact OE1-NH2 3.78Å; E530-R821 PolarHBondContact OE1-NH2 2.93Å; E530-K857 IonicContact OE1-NZ 3.85Å; E530-K857 PolarHBondContact OE1-NZ 2.65Å; E530-K857 IonicContact OE2-NZ 2.68Å; E530-K857 PolarHBondContact OE2-NZ 3.39Å
531M98.5Very high98.3Very high17 Ų1720.7 Ų20.78%0.08411%0.112CC..Hα-helixtrans-66.9-45.4179.8-69.7-55.2-56.100112.6I438 D441 L444 F526 L533 V534 P535I438-M531 HydrophobicContact CG2-CE 3.63Å; D441-M531 HydrophobicContact CB-CE 4.29Å; D441-M531 HydrophobicContact CB-SD 3.9Å; L444-M531 HydrophobicContact CD1-SD 3.85Å; F526-M531 HydrophobicContact CD1-CG 3.83Å; F526-M531 HydrophobicContact CD2-CG 4.16Å; F526-M531 HydrophobicContact CE1-CG 3.45Å; F526-M531 VanDerWaalsContact CE1-CG 3.45Å; F526-M531 HydrophobicContact CE1-SD 4.18Å; F526-M531 HydrophobicContact CE2-CG 3.8Å; F526-M531 HydrophobicContact CE2-SD 3.75Å; F526-M531 HydrophobicContact CG-CG 4.18Å; F526-M531 HydrophobicContact CZ-CG 3.45Å; F526-M531 VanDerWaalsContact CZ-CG 3.45Å; F526-M531 HydrophobicContact CZ-SD 3.54Å; F526-M531 VanDerWaalsContact CZ-SD 3.54Å; F526-M531 WeakPolarHBondContact O-CB 3.06Å; F526-M531 WeakPolarHBondContact O-CG 3.01Å; F526-M531 PolarHBondContact O-N 3.07Å; M531-L533 PolarHBondContact O-N 3.44Å; M531-V534 WeakPolarHBondContact O-CB 3.26Å; M531-V534 PolarHBondContact O-N 3.45Å; M531-P535 WeakPolarHBondContact O-CD 3.36Å
532P98.4Very high98.2Very high42 Ų4224.1 Ų24.127%0.27312%0.119SC..Hα-helixtrans-63.4-24175.4-24.535.9000113.7E527 P535 V536 I861E527-P532 WeakPolarHBondContact O-CD 3.12Å; E527-P532 WeakPolarHBondContact O-CG 3.18Å; P532-P535 WeakPolarHBondContact O-CD 3.4Å; P532-V536 WeakPolarHBondContact O-CG2 3.44Å; P532-I861 HydrophobicContact CB-CD1 3.96Å; P532-I861 HydrophobicContact CB-CG1 4.2Å; P532-I861 HydrophobicContact CB-CG2 4.23Å
533L98.6Very high98.2Very high0 Ų026.3 Ų26.30%013%0.131CC..Hα-helixtrans-77.2-25.4179.2-173.171.2000113.2I529 E530 M531 V536 L537 Q661 L669 K857 M860 I861I529-L533 WeakPolarHBondContact O-CB 3.46Å; I529-L533 PolarHBondContact O-N 3.09Å; E530-L533 PolarHBondContact O-N 2.92Å; M531-L533 PolarHBondContact O-N 3.44Å; L533-V536 HydrophobicContact CD1-CB 4.18Å; L533-V536 HydrophobicContact CD1-CG1 4.37Å; L533-V536 WeakPolarHBondContact O-CA 3.43Å; L533-V536 WeakPolarHBondContact O-CB 3.04Å; L533-V536 PolarHBondContact O-N 2.82Å; L533-L537 HydrophobicContact CD1-CG 4.29Å; L533-L537 HydrophobicContact CD2-CD1 3.94Å; L533-L537 HydrophobicContact CD2-CG 4.36Å; L533-L537 HydrophobicContact CG-CD1 3.86Å; L533-L537 HydrophobicContact CG-CG 3.86Å; L533-L537 PolarHBondContact O-N 2.85Å; L533-Q661 HydrophobicContact CD2-CG 4.19Å; L533-L669 HydrophobicContact CD2-CD2 4.28Å; L533-K857 HydrophobicContact CD1-CB 4.4Å; L533-K857 HydrophobicContact CD1-CG 4.5Å; L533-K857 HydrophobicContact CD2-CB 4.06Å; L533-K857 HydrophobicContact CD2-CD 3.64Å; L533-K857 HydrophobicContact CD2-CG 3.53Å; L533-M860 HydrophobicContact CD1-CB 3.98Å; L533-M860 HydrophobicContact CD1-CE 3.96Å; L533-M860 HydrophobicContact CD1-SD 4Å; L533-I861 HydrophobicContact CB-CD1 4.35Å; L533-I861 HydrophobicContact CB-CG1 4.41Å; L533-I861 HydrophobicContact CD1-CG1 4.3Å
534V98.6Very high98.1Very high1 Ų125.1 Ų25.11%0.00613%0.125CC..Hα-helixtrans-50.7-53.1176.81670000112.5K422 I438 L444 E530 M531 V536 S538K422-V534 HydrophobicContact CB-CG1 3.96Å; I438-V534 HydrophobicContact CD1-CG1 4.24Å; I438-V534 HydrophobicContact CG2-CG1 4.49Å; L444-V534 HydrophobicContact CD1-CG2 3.58Å; E530-V534 PolarHBondContact O-N 3.33Å; M531-V534 WeakPolarHBondContact O-CB 3.26Å; M531-V534 PolarHBondContact O-N 3.45Å; V534-V536 VanDerWaalsContact C-N 3.29Å; V534-V536 PolarHBondContact O-N 3.05Å; V534-S538 WeakPolarHBondContact O-CB 3.45Å; V534-S538 PolarHBondContact O-N 3.38Å; V534-S538 VanDerWaalsContact O-N 3.09Å
535P97.9Very high98.1Very high26 Ų2622.6 Ų22.617%0.16911%0.112CC..Hα-helixtrans-52.4-44.2171.4-2120000114.9R425 M531 P532 S538 R539R425-P535 VanDerWaalsContact NH1-CG 3.28Å; M531-P535 WeakPolarHBondContact O-CD 3.36Å; P532-P535 WeakPolarHBondContact O-CD 3.4Å; P535-S538 PolarHBondContact O-N 2.83Å; P535-R539 VanDerWaalsContact CB-NH2 3.3Å; P535-R539 PolarHBondContact O-N 3.13Å
536V98.5Very high98.1Very high2 Ų226 Ų261%0.01213%0.126CC..Hα-helixtrans-67.9-47.3-172-178.70000109.4P532 L533 V534 R539 I540 M860 I861 D864P532-V536 WeakPolarHBondContact O-CG2 3.44Å; L533-V536 HydrophobicContact CD1-CB 4.18Å; L533-V536 HydrophobicContact CD1-CG1 4.37Å; L533-V536 WeakPolarHBondContact O-CA 3.43Å; L533-V536 WeakPolarHBondContact O-CB 3.04Å; L533-V536 PolarHBondContact O-N 2.82Å; V534-V536 VanDerWaalsContact C-N 3.29Å; V534-V536 PolarHBondContact O-N 3.05Å; V536-R539 PolarHBondContact O-N 2.81Å; V536-I540 HydrophobicContact CG1-CD1 3.82Å; V536-I540 HydrophobicContact CG1-CG1 4.5Å; V536-I540 VanDerWaalsContact O-CG1 3.29Å; V536-I540 WeakPolarHBondContact O-CG1 3.45Å; V536-I540 PolarHBondContact O-N 3.43Å; V536-M860 HydrophobicContact CG1-CB 4.08Å; V536-M860 HydrophobicContact CG1-CE 4.47Å; V536-I861 HydrophobicContact CG2-CG1 4.42Å; V536-D864 HydrophobicContact CB-CB 4.34Å; V536-D864 HydrophobicContact CG1-CB 3.82Å; V536-D864 HydrophobicContact CG2-CB 3.75Å
537L98.5Very high98.1Very high0 Ų026.2 Ų26.20%013%0.128CC..Hα-helixtrans-63.4-45.4176.9-67.3174.8000111.3K422 L533 R539 I540 E541 Y659 Q661 L669 M860K422-L537 HydrophobicContact CD-CB 3.76Å; K422-L537 HydrophobicContact CD-CD1 4.5Å; K422-L537 HydrophobicContact CG-CB 4.44Å; L533-L537 HydrophobicContact CD1-CG 4.29Å; L533-L537 HydrophobicContact CD2-CD1 3.94Å; L533-L537 HydrophobicContact CD2-CG 4.36Å; L533-L537 HydrophobicContact CG-CD1 3.86Å; L533-L537 HydrophobicContact CG-CG 3.86Å; L533-L537 PolarHBondContact O-N 2.85Å; L537-R539 PolarHBondContact O-N 2.74Å; L537-I540 PolarHBondContact O-N 3.08Å; L537-I540 VanDerWaalsContact O-N 3.13Å; L537-E541 WeakPolarHBondContact O-CB 3.38Å; L537-E541 VanDerWaalsContact O-CG 3.23Å; L537-E541 WeakPolarHBondContact O-CG 3.48Å; L537-E541 PolarHBondContact O-N 3.26Å; L537-Y659 HydrophobicContact CD2-CD2 4.18Å; L537-Y659 HydrophobicContact CD2-CG 4.01Å; L537-Q661 HydrophobicContact CD1-CG 3.55Å; L537-L669 HydrophobicContact CD1-CD2 3.96Å; L537-L669 HydrophobicContact CD2-CD1 3.88Å; L537-L669 HydrophobicContact CD2-CD2 4.5Å; L537-M860 HydrophobicContact CD2-CE 3.58Å
538S97.7Very high98Very high7 Ų724.3 Ų24.35%0.04912%0.12CC..Hα-helixtrans-54.5-41.8176.2-171.60000111.8K422 V534 P535 R542K422-S538 PolarHBondContact O-OG 2.9Å; V534-S538 WeakPolarHBondContact O-CB 3.45Å; V534-S538 PolarHBondContact O-N 3.38Å; V534-S538 VanDerWaalsContact O-N 3.09Å; P535-S538 PolarHBondContact O-N 2.83Å; S538-R542 VanDerWaalsContact O-CB 3.3Å; S538-R542 WeakPolarHBondContact O-CB 3.36Å; S538-R542 PolarHBondContact O-N 3.03Å; S538-R542 VanDerWaalsContact O-N 3.08Å
539R97.4Very high97.9Very high53 Ų5323.2 Ų23.220%0.212%0.118CC..Hα-helixtrans-66.4-46.5174.4-79.9-172.1-79.6-80.12.3113.5E434 P535 V536 L537 R542 N543 D864E434-R539 IonicContact OE1-NH1 2.64Å; P535-R539 VanDerWaalsContact CB-NH2 3.3Å; P535-R539 PolarHBondContact O-N 3.13Å; V536-R539 PolarHBondContact O-N 2.81Å; L537-R539 PolarHBondContact O-N 2.74Å; R539-R542 PolarHBondContact O-N 2.9Å; R539-N543 PolarHBondContact O-N 2.96Å; R539-N543 PolarHBondContact O-ND2 3.48Å; R539-D864 IonicContact CZ-OD1 2.73Å; R539-D864 IonicContact CZ-OD2 3.63Å; R539-D864 IonicContact NE-OD1 3.97Å; R539-D864 PolarHBondContact NE-OD1 2.95Å; R539-D864 IonicContact NE-OD2 3.83Å; R539-D864 PolarHBondContact NE-OD2 3.33Å; R539-D864 IonicContact NH2-OD1 3.33Å; R539-D864 IonicContact NH2-OD2 2.86Å; R539-D864 PolarHBondContact NH2-OD2 3.32Å
540I98Very high97.8Very high3 Ų330 Ų302%0.01515%0.148CC..Hα-helixtrans-62.9-45-179.9-65.8165.7000110.6V536 L537 R542 N543 G544 Y659 M860 M876 I877V536-I540 HydrophobicContact CG1-CD1 3.82Å; V536-I540 HydrophobicContact CG1-CG1 4.5Å; V536-I540 VanDerWaalsContact O-CG1 3.29Å; V536-I540 WeakPolarHBondContact O-CG1 3.45Å; V536-I540 PolarHBondContact O-N 3.43Å; L537-I540 PolarHBondContact O-N 3.08Å; L537-I540 VanDerWaalsContact O-N 3.13Å; I540-R542 VanDerWaalsContact C-N 3.31Å; I540-R542 PolarHBondContact O-N 3.42Å; I540-N543 WeakPolarHBondContact O-CB 3.35Å; I540-N543 PolarHBondContact O-N 3.13Å; I540-G544 PolarHBondContact O-N 3.41Å; I540-G544 VanDerWaalsContact O-N 3.16Å; I540-Y659 HydrophobicContact CG2-CE2 3.79Å; I540-M860 HydrophobicContact CD1-CE 3.45Å; I540-M860 VanDerWaalsContact CD1-CE 3.45Å; I540-M876 HydrophobicContact CD1-CG 4.05Å; I540-M876 HydrophobicContact CD1-SD 3.38Å; I540-M876 WeakPolarHBondContact CD1-SD 3.33Å; I540-M876 HydrophobicContact CG1-CB 4.21Å; I540-M876 HydrophobicContact CG1-CG 4.12Å; I540-M876 HydrophobicContact CG1-SD 4.01Å; I540-I877 WeakPolarHBondContact CG2-O 3.16Å
541E98Very high97.7Very high2 Ų232.2 Ų32.21%0.00916%0.161CC..Hα-helixtrans-58.7-45176-67.4-178.3176.200110.9N363 K422 L537 G544 H656 T657 S658 Y659N363-E541 PolarHBondContact ND2-OE2 2.96Å; K422-E541 IonicContact NZ-OE1 2.93Å; K422-E541 PolarHBondContact NZ-OE1 3.18Å; K422-E541 IonicContact NZ-OE2 2.64Å; K422-E541 PolarHBondContact NZ-OE2 2.9Å; L537-E541 WeakPolarHBondContact O-CB 3.38Å; L537-E541 VanDerWaalsContact O-CG 3.23Å; L537-E541 WeakPolarHBondContact O-CG 3.48Å; L537-E541 PolarHBondContact O-N 3.26Å; E541-G544 PolarHBondContact O-N 2.81Å; E541-H656 PolarHBondContact O-ND1 3.49Å; E541-T657 VanDerWaalsContact CG-O 3.23Å; E541-T657 WeakPolarHBondContact CG-O 3.42Å; E541-S658 WeakPolarHBondContact OE1-CA 3.13Å; E541-Y659 HydrophobicContact CG-CD2 3.82Å; E541-Y659 PolarHBondContact OE1-N 2.96Å
542R96.4Very high97.6Very high91 Ų9131.4 Ų31.434%0.34316%0.157SC..Hα-helixtrans-68-34.3177.9-169.6174.8-169.374.91113.6I364 A429 N430 S538 R539 I540 G544 H656I364-R542 HydrophobicContact CD1-CB 4.37Å; I364-R542 HydrophobicContact CD1-CG 4.21Å; A429-R542 PolarHBondContact O-NH2 2.7Å; N430-R542 PolarHBondContact OD1-NH1 2.9Å; N430-R542 PolarHBondContact OD1-NH2 3.19Å; N430-R542 VanDerWaalsContact OD1-NH2 3.1Å; S538-R542 VanDerWaalsContact O-CB 3.3Å; S538-R542 WeakPolarHBondContact O-CB 3.36Å; S538-R542 PolarHBondContact O-N 3.03Å; S538-R542 VanDerWaalsContact O-N 3.08Å; R539-R542 PolarHBondContact O-N 2.9Å; I540-R542 VanDerWaalsContact C-N 3.31Å; I540-R542 PolarHBondContact O-N 3.42Å; R542-G544 VanDerWaalsContact C-N 3.28Å; R542-G544 PolarHBondContact O-N 2.82Å; R542-H656 PolarHBondContact O-CE1 3.44Å
543N97.5Very high97.5Very high48 Ų4834.6 Ų34.626%0.25717%0.168SC..Hα-helixtrans-60.3-42.8173.5-73.7-21.9000110.4R539 I540 R654 M876 I877R539-N543 PolarHBondContact O-N 2.96Å; R539-N543 PolarHBondContact O-ND2 3.48Å; I540-N543 WeakPolarHBondContact O-CB 3.35Å; I540-N543 PolarHBondContact O-N 3.13Å; N543-R654 WeakPolarHBondContact O-CD 3.34Å; N543-R654 PolarHBondContact O-NE 3.3Å; N543-M876 PolarHBondContact ND2-O 3.31Å; N543-I877 HydrophobicContact CB-CG2 4.46Å
544G97.7Very high97.4Very high3 Ų338 Ų383%0.03119%0.186CC..  trans60.2-175.4-17700000112.9I540 E541 R542 R654 V655I540-G544 PolarHBondContact O-N 3.41Å; I540-G544 VanDerWaalsContact O-N 3.16Å; E541-G544 PolarHBondContact O-N 2.81Å; R542-G544 VanDerWaalsContact C-N 3.28Å; R542-G544 PolarHBondContact O-N 2.82Å; G544-R654 PolarHBondContact O-NE 3.05Å; G544-R654 PolarHBondContact O-NH2 3.13Å; G544-V655 CarbonylContact C-O 3.53Å; G544-V655 VanDerWaalsContact CA-O 3.23Å; G544-V655 WeakPolarHBondContact CA-O 3.5Å
545V98.2Very high97.2Very high2 Ų238 Ų381%0.01219%0.186CC..BIsolated β-bridgetrans-122140-180-62.60000110.9I547 R654 V655 L676 F693 I877 M878V545-I547 HydrophobicContact CG2-CD1 4.21Å; V545-I547 HydrophobicContact CG2-CG1 4.16Å; V545-R654 WeakPolarHBondContact O-CA 3.25Å; V545-R654 WeakPolarHBondContact O-CB 3.42Å; V545-V655 HydrophobicContact CG2-CB 3.91Å; V545-V655 HydrophobicContact CG2-CG1 4.48Å; V545-V655 PolarHBondContact N-O 2.84Å; V545-V655 PolarHBondContact O-N 2.92Å; V545-L676 HydrophobicContact CG1-CD1 4.14Å; V545-L676 HydrophobicContact CG2-CD1 3.94Å; V545-F693 HydrophobicContact CB-CD1 4.3Å; V545-F693 HydrophobicContact CG2-CD1 4.09Å; V545-F693 HydrophobicContact CG2-CE1 3.93Å; V545-I877 HydrophobicContact CG1-CB 4.19Å; V545-I877 HydrophobicContact CG1-CD1 4.21Å; V545-I877 HydrophobicContact CG1-CG1 4.4Å; V545-M878 HydrophobicContact CG1-CE 4.28Å; V545-M878 HydrophobicContact CG1-CG 3.34Å; V545-M878 HydrophobicContact CG1-SD 3.66Å
546K98.3Very high97.2Very high70 Ų7037.2 Ų37.230%0.30418%0.181SC..  trans-86.6129.9172.3-174-179-178.1-170.90109.2I694 P696K546-I694 WeakPolarHBondContact CB-O 3.03Å; K546-I694 HydrophobicContact CD-CD1 4.24Å; K546-I694 HydrophobicContact CD-CG1 4.25Å; K546-I694 HydrophobicContact CG-CD1 4.34Å; K546-I694 HydrophobicContact CG-CG1 4.05Å; K546-I694 PolarHBondContact O-N 3.27Å; K546-P696 HydrophobicContact CD-CB 4.41Å
547I97.6Very high97.1Very high8 Ų842.2 Ų42.24%0.04120%0.204CC..BIsolated β-bridgetrans-122.5139.2179.6-61.5-173.7000108.6V545 P549 L552 L644 V655 A692 F693V545-I547 HydrophobicContact CG2-CD1 4.21Å; V545-I547 HydrophobicContact CG2-CG1 4.16Å; I547-P549 WeakPolarHBondContact O-CD 3.49Å; I547-L552 HydrophobicContact CG2-CD1 3.48Å; I547-L552 VanDerWaalsContact CG2-CD1 3.48Å; I547-L552 HydrophobicContact CG2-CG 4.24Å; I547-L644 HydrophobicContact CD1-CB 4.26Å; I547-L644 HydrophobicContact CD1-CD1 4.28Å; I547-L644 HydrophobicContact CD1-CD2 4.35Å; I547-V655 HydrophobicContact CD1-CB 4.02Å; I547-V655 HydrophobicContact CD1-CG2 3.63Å; I547-V655 HydrophobicContact CG1-CG2 4.23Å; I547-A692 CarbonylContact C-O 3.55Å; I547-A692 VanDerWaalsContact CA-O 3.24Å; I547-A692 WeakPolarHBondContact CA-O 3.4Å; I547-A692 HydrophobicContact CG2-CB 4.11Å; I547-F693 HydrophobicContact CD1-CD1 4.19Å; I547-F693 HydrophobicContact CD1-CE1 3.61Å; I547-F693 HydrophobicContact CD1-CE2 4.43Å; I547-F693 HydrophobicContact CD1-CZ 3.72Å; I547-F693 HydrophobicContact CG1-CD1 4.06Å; I547-F693 HydrophobicContact CG1-CE1 4Å; I547-F693 HydrophobicContact CG1-CZ 4.39Å
548D97.5Very high96.9Very high49 Ų4946.3 Ų46.326%0.26222%0.224SC..  trans-83.7105.1167.9-171.5-21.6000109.9K550 V551 L552 A692 I694D548-K550 PolarHBondContact O-N 3.26Å; D548-K550 WeakPolarHBondContact OD1-CA 3.44Å; D548-K550 WeakPolarHBondContact OD1-CB 3.28Å; D548-K550 PolarHBondContact OD1-N 2.85Å; D548-V551 HydrophobicContact CB-CB 4.24Å; D548-V551 HydrophobicContact CB-CG2 3.93Å; D548-V551 PolarHBondContact O-N 2.91Å; D548-V551 PolarHBondContact OD1-N 3.4Å; D548-L552 PolarHBondContact O-N 3.06Å; D548-A692 PolarHBondContact N-O 2.7Å; D548-I694 HydrophobicContact CB-CD1 4Å; D548-I694 HydrophobicContact CB-CG1 4.39Å
549P96.2Very high96.8Very high62 Ų6246 Ų4640%0.40322%0.221SC..Hα-helixtrans-66.9-23.7-179.829-35.7000112.6I547 L552 H553 P645 I648I547-P549 WeakPolarHBondContact O-CD 3.49Å; P549-L552 PolarHBondContact O-N 2.85Å; P549-H553 VanDerWaalsContact O-CB 3.31Å; P549-H553 WeakPolarHBondContact O-CB 3.15Å; P549-H553 PolarHBondContact O-N 3.04Å; P549-P645 HydrophobicContact CB-CB 4.29Å; P549-I648 HydrophobicContact CB-CD1 4.14Å; P549-I648 HydrophobicContact CG-CD1 4.4Å
550K96.3Very high96.8Very high145 Ų14546.7 Ų46.763%0.6323%0.231SC*.Hα-helixtrans-70.8-41.8-180-173.7-177.6178.5-177.50111D548 L552 H553 N554D548-K550 PolarHBondContact O-N 3.26Å; D548-K550 WeakPolarHBondContact OD1-CA 3.44Å; D548-K550 WeakPolarHBondContact OD1-CB 3.28Å; D548-K550 PolarHBondContact OD1-N 2.85Å; K550-L552 VanDerWaalsContact C-N 3.3Å; K550-L552 PolarHBondContact O-N 3.3Å; K550-H553 PolarHBondContact O-N 3.07Å; K550-N554 WeakPolarHBondContact O-CB 3.35Å; K550-N554 VanDerWaalsContact O-CG 3.23Å; K550-N554 PolarHBondContact O-N 2.91Å; K550-N554 PolarHBondContact O-OD1 3.25Å
551V95.4Very high96.7Very high46 Ų4652.2 Ų52.228%0.27926%0.26SS..Hα-helixtrans-58.7-46.2175.2173.60000110D548 H555 A692D548-V551 HydrophobicContact CB-CB 4.24Å; D548-V551 HydrophobicContact CB-CG2 3.93Å; D548-V551 PolarHBondContact O-N 2.91Å; D548-V551 PolarHBondContact OD1-N 3.4Å; V551-H555 WeakPolarHBondContact O-CB 3.31Å; V551-H555 PolarHBondContact O-N 3.02Å; V551-H555 VanDerWaalsContact O-N 3.09Å; V551-A692 HydrophobicContact CB-CB 4.08Å; V551-A692 HydrophobicContact CG1-CB 3.9Å
552L96.5Very high96.7Very high0 Ų055.4 Ų55.40%027%0.272CS..Hα-helixtrans-67.8-38.8178.2-65.8-178.2000113.2I547 D548 P549 K550 H555 S556 T641 L644 P645 I689 A692I547-L552 HydrophobicContact CG2-CD1 3.48Å; I547-L552 VanDerWaalsContact CG2-CD1 3.48Å; I547-L552 HydrophobicContact CG2-CG 4.24Å; D548-L552 PolarHBondContact O-N 3.06Å; P549-L552 PolarHBondContact O-N 2.85Å; K550-L552 VanDerWaalsContact C-N 3.3Å; K550-L552 PolarHBondContact O-N 3.3Å; L552-H555 PolarHBondContact O-N 2.97Å; L552-S556 WeakPolarHBondContact O-CB 3.23Å; L552-S556 PolarHBondContact O-N 2.82Å; L552-T641 HydrophobicContact CD2-CG2 4.46Å; L552-L644 HydrophobicContact CD1-CB 3.8Å; L552-L644 HydrophobicContact CD1-CD1 4.23Å; L552-P645 HydrophobicContact CB-CG 4.03Å; L552-P645 HydrophobicContact CD1-CG 3.9Å; L552-I689 HydrophobicContact CD2-CG2 4.33Å; L552-A692 HydrophobicContact CD1-CB 4.25Å; L552-A692 HydrophobicContact CD2-CB 3.5Å; L552-A692 VanDerWaalsContact CD2-CB 3.5Å; L552-A692 HydrophobicContact CG-CB 3.56Å
553H96.3Very high96.7Very high109 Ų10951.9 Ų51.951%0.50526%0.26SS..Hα-helixtrans-63.9-50.2178.2-175.964.5000111.8P549 K550 H555 S556 E557P549-H553 VanDerWaalsContact O-CB 3.31Å; P549-H553 WeakPolarHBondContact O-CB 3.15Å; P549-H553 PolarHBondContact O-N 3.04Å; K550-H553 PolarHBondContact O-N 3.07Å; H553-H555 VanDerWaalsContact C-N 3.26Å; H553-H555 PolarHBondContact O-N 3.44Å; H553-S556 WeakPolarHBondContact O-CB 3.42Å; H553-S556 PolarHBondContact O-N 3.31Å; H553-S556 VanDerWaalsContact O-N 3.08Å; H553-E557 PolarHBondContact O-N 3.23Å
554N96.1Very high96.7Very high70 Ų7052.3 Ų52.337%0.37427%0.27SS..Hα-helixtrans-57.7-42.9176.6-67.3-8000111K550 S556 E557 E558K550-N554 WeakPolarHBondContact O-CB 3.35Å; K550-N554 VanDerWaalsContact O-CG 3.23Å; K550-N554 PolarHBondContact O-N 2.91Å; K550-N554 PolarHBondContact O-OD1 3.25Å; N554-S556 PolarHBondContact O-N 3.18Å; N554-E557 PolarHBondContact O-N 3.49Å; N554-E558 PolarHBondContact O-N 3.22Å; N554-E558 VanDerWaalsContact O-N 3.16Å
555H95.7Very high96.6Very high2 Ų258.7 Ų58.71%0.00930%0.299CS..Hα-helixtrans-64.3-39.9177.3-170.4-156.8000112V551 L552 H553 E557 E558 L559 T641 E685 R688V551-H555 WeakPolarHBondContact O-CB 3.31Å; V551-H555 PolarHBondContact O-N 3.02Å; V551-H555 VanDerWaalsContact O-N 3.09Å; L552-H555 PolarHBondContact O-N 2.97Å; H553-H555 VanDerWaalsContact C-N 3.26Å; H553-H555 PolarHBondContact O-N 3.44Å; H555-E557 VanDerWaalsContact C-N 3.35Å; H555-E557 PolarHBondContact O-N 3.26Å; H555-E558 PolarHBondContact O-N 2.87Å; H555-L559 WeakPolarHBondContact O-CB 3.47Å; H555-L559 VanDerWaalsContact O-CG 3.27Å; H555-L559 WeakPolarHBondContact O-CG 3.49Å; H555-L559 PolarHBondContact O-N 3.46Å; H555-T641 HydrophobicContact CB-CG2 4.33Å; H555-E685 IonicContact CD2-OE2 3.61Å; H555-E685 PolarHBondContact CE1-O 3.27Å; H555-E685 VanDerWaalsContact CE1-O 3.22Å; H555-E685 IonicContact CE1-OE2 2.74Å; H555-E685 IonicContact NE2-OE2 3.03Å; H555-E685 PolarHBondContact NE2-OE2 2.79Å; H555-R688 VanDerWaalsContact CD2-CZ 3.47Å
556S96.2Very high96.6Very high9 Ų959.1 Ų59.16%0.06330%0.301CS..Hα-helixtrans-60.9-40.2174.8-175.70000112.8L552 H553 N554 L559 T560 K637 T641 D642L552-S556 WeakPolarHBondContact O-CB 3.23Å; L552-S556 PolarHBondContact O-N 2.82Å; H553-S556 WeakPolarHBondContact O-CB 3.42Å; H553-S556 PolarHBondContact O-N 3.31Å; H553-S556 VanDerWaalsContact O-N 3.08Å; N554-S556 PolarHBondContact O-N 3.18Å; S556-L559 PolarHBondContact O-N 2.99Å; S556-T560 WeakPolarHBondContact O-CB 3.47Å; S556-T560 PolarHBondContact O-N 2.77Å; S556-T560 PolarHBondContact O-OG1 2.73Å; S556-K637 VanDerWaalsContact OG-CE 3.29Å; S556-K637 WeakPolarHBondContact OG-CE 3.33Å; S556-K637 PolarHBondContact OG-NZ 3Å; S556-K637 VanDerWaalsContact OG-NZ 3.14Å; S556-T641 WeakPolarHBondContact CB-OG1 3.38Å; S556-D642 PolarHBondContact OG-OD1 3.37Å
557E96.7Very high96.5Very high108 Ų10859 Ų5951%0.50530%0.302SS..Hα-helixtrans-63.4-45.7176.3-67.3-168.4125.200111.5H553 N554 H555 L559 T560 L561H553-E557 PolarHBondContact O-N 3.23Å; N554-E557 PolarHBondContact O-N 3.49Å; H555-E557 VanDerWaalsContact C-N 3.35Å; H555-E557 PolarHBondContact O-N 3.26Å; E557-L559 PolarHBondContact O-N 2.81Å; E557-T560 VanDerWaalsContact O-CB 3.31Å; E557-T560 WeakPolarHBondContact O-CB 3.39Å; E557-T560 PolarHBondContact O-N 3.26Å; E557-T560 VanDerWaalsContact O-N 3.16Å; E557-L561 PolarHBondContact O-N 3.22Å; E557-L561 VanDerWaalsContact O-N 3.13Å
558E95.6Very high96.5Very high86 Ų8666 Ų6640%0.40233%0.332SS..Hα-helixtrans-62.6-43.3176.2-69176-142.200112.4N554 H555 T560 L561 R562 R688N554-E558 PolarHBondContact O-N 3.22Å; N554-E558 VanDerWaalsContact O-N 3.16Å; H555-E558 PolarHBondContact O-N 2.87Å; E558-T560 VanDerWaalsContact C-N 3.26Å; E558-T560 PolarHBondContact O-N 3.44Å; E558-L561 PolarHBondContact O-N 2.89Å; E558-R562 PolarHBondContact O-N 3.43Å; E558-R688 IonicContact OE1-CZ 3.55Å; E558-R688 IonicContact OE1-NH2 3.05Å; E558-R688 PolarHBondContact OE1-NH2 3.44Å; E558-R688 IonicContact OE2-CZ 3.08Å; E558-R688 IonicContact OE2-NH1 3.87Å; E558-R688 PolarHBondContact OE2-NH1 3.13Å; E558-R688 IonicContact OE2-NH2 3.57Å; E558-R688 PolarHBondContact OE2-NH2 2.97Å
559L95.4Very high96.5Very high1 Ų168.8 Ų68.81%0.00534%0.342CS..Hα-helixtrans-61.6-36.4174.7-70.4-179.8000111.3H555 S556 E557 R562 L563 L633 L636 K637 T641H555-L559 WeakPolarHBondContact O-CB 3.47Å; H555-L559 VanDerWaalsContact O-CG 3.27Å; H555-L559 WeakPolarHBondContact O-CG 3.49Å; H555-L559 PolarHBondContact O-N 3.46Å; S556-L559 PolarHBondContact O-N 2.99Å; E557-L559 PolarHBondContact O-N 2.81Å; L559-R562 PolarHBondContact O-N 3.17Å; L559-L563 VanDerWaalsContact O-CB 3.31Å; L559-L563 WeakPolarHBondContact O-CB 3.36Å; L559-L563 WeakPolarHBondContact O-CD1 3.39Å; L559-L563 WeakPolarHBondContact O-CG 3.42Å; L559-L563 PolarHBondContact O-N 2.57Å; L559-L633 HydrophobicContact CD2-CB 4.26Å; L559-L633 HydrophobicContact CD2-CD1 4.42Å; L559-L633 HydrophobicContact CD2-CD2 3.79Å; L559-L633 HydrophobicContact CD2-CG 4.35Å; L559-L636 HydrophobicContact CD1-CB 4.29Å; L559-K637 HydrophobicContact CB-CB 4.43Å; L559-K637 HydrophobicContact CB-CD 4.49Å; L559-K637 HydrophobicContact CD1-CB 4.04Å; L559-T641 HydrophobicContact CD1-CG2 3.92Å
560T96.9Very high96.5Very high67 Ų6765.8 Ų65.841%0.41132%0.323SS..Hα-helixtrans-61.8-46.3176.7-56.50000111.4S556 E557 E558 L563 A564 K637S556-T560 WeakPolarHBondContact O-CB 3.47Å; S556-T560 PolarHBondContact O-N 2.77Å; S556-T560 PolarHBondContact O-OG1 2.73Å; E557-T560 VanDerWaalsContact O-CB 3.31Å; E557-T560 WeakPolarHBondContact O-CB 3.39Å; E557-T560 PolarHBondContact O-N 3.26Å; E557-T560 VanDerWaalsContact O-N 3.16Å; E558-T560 VanDerWaalsContact C-N 3.26Å; E558-T560 PolarHBondContact O-N 3.44Å; T560-L563 PolarHBondContact O-N 2.91Å; T560-A564 PolarHBondContact O-N 3.35Å; T560-A564 VanDerWaalsContact O-N 3.1Å; T560-K637 WeakPolarHBondContact OG1-CE 3.48Å
561L97Very high96.6Very high118 Ų11860.4 Ų60.462%0.61830%0.3SS*.Hα-helixtrans-62.4-47.2177.6-66.3173.6000111.2E557 E558 L563 A564 E565E557-L561 PolarHBondContact O-N 3.22Å; E557-L561 VanDerWaalsContact O-N 3.13Å; E558-L561 PolarHBondContact O-N 2.89Å; L561-L563 VanDerWaalsContact C-N 3.34Å; L561-L563 PolarHBondContact O-N 3.41Å; L561-A564 PolarHBondContact O-N 3.04Å; L561-E565 WeakPolarHBondContact O-CG 2.9Å; L561-E565 PolarHBondContact O-N 3.37Å
562R96.4Very high96.6Very high69 Ų6965.7 Ų65.726%0.2632%0.321SS..Hα-helixtrans-61.8-39177-76.7-169.557.8-172.7-2.5113.2E558 L559 A564 E565 L566 E629 L633 E685E558-R562 PolarHBondContact O-N 3.43Å; L559-R562 PolarHBondContact O-N 3.17Å; R562-A564 VanDerWaalsContact C-N 3.35Å; R562-E565 PolarHBondContact O-N 2.8Å; R562-L566 WeakPolarHBondContact O-CB 3.44Å; R562-L566 VanDerWaalsContact O-CG 3.3Å; R562-L566 WeakPolarHBondContact O-CG 3.46Å; R562-L566 PolarHBondContact O-N 3.25Å; R562-E629 IonicContact CZ-OE1 2.83Å; R562-E629 IonicContact NH2-OE1 3.43Å; R562-E629 PolarHBondContact NH2-OE1 2.8Å; R562-L633 HydrophobicContact CB-CD1 3.83Å; R562-E685 IonicContact NH1-OE1 2.62Å; R562-E685 PolarHBondContact NH1-OE1 2.81Å
563L96.9Very high96.5Very high18 Ų1868.4 Ų68.49%0.09434%0.335CS..Hα-helixtrans-63.2-42.1176.9-76.9168.1000111.4L559 T560 L561 E565 L566 E567 Y630 L633 A634 K637L559-L563 VanDerWaalsContact O-CB 3.31Å; L559-L563 WeakPolarHBondContact O-CB 3.36Å; L559-L563 WeakPolarHBondContact O-CD1 3.39Å; L559-L563 WeakPolarHBondContact O-CG 3.42Å; L559-L563 PolarHBondContact O-N 2.57Å; T560-L563 PolarHBondContact O-N 2.91Å; L561-L563 VanDerWaalsContact C-N 3.34Å; L561-L563 PolarHBondContact O-N 3.41Å; L563-E565 VanDerWaalsContact C-N 3.35Å; L563-E565 PolarHBondContact O-N 2.95Å; L563-L566 PolarHBondContact O-N 3.47Å; L563-E567 VanDerWaalsContact O-CB 3.26Å; L563-E567 WeakPolarHBondContact O-CB 3.15Å; L563-E567 PolarHBondContact O-N 3.18Å; L563-Y630 HydrophobicContact CB-CD2 4.5Å; L563-Y630 HydrophobicContact CB-CE2 4.14Å; L563-Y630 HydrophobicContact CD2-CD1 4.42Å; L563-Y630 HydrophobicContact CD2-CD2 3.5Å; L563-Y630 VanDerWaalsContact CD2-CD2 3.5Å; L563-Y630 HydrophobicContact CD2-CE1 4.48Å; L563-Y630 HydrophobicContact CD2-CE2 3.6Å; L563-Y630 HydrophobicContact CD2-CG 3.95Å; L563-Y630 WeakPolarHBondContact CD2-O 3.37Å; L563-Y630 HydrophobicContact CG-CE2 4.48Å; L563-L633 HydrophobicContact CD2-CB 3.82Å; L563-L633 HydrophobicContact CG-CB 4.21Å; L563-A634 HydrophobicContact CD1-CB 4.45Å; L563-A634 HydrophobicContact CD2-CB 3.9Å; L563-K637 HydrophobicContact CD1-CB 4.5Å; L563-K637 HydrophobicContact CD1-CD 3.87Å
564A97Very high96.4Very high57 Ų5764.1 Ų64.147%0.47132%0.319SS..Hα-helixtrans-64-38.9175.900000112.3T560 L561 R562 K568T560-A564 PolarHBondContact O-N 3.35Å; T560-A564 VanDerWaalsContact O-N 3.1Å; L561-A564 PolarHBondContact O-N 3.04Å; R562-A564 VanDerWaalsContact C-N 3.35Å; A564-K568 WeakPolarHBondContact O-CB 3.38Å; A564-K568 PolarHBondContact O-N 3.11Å
565E97.3Very high96.2Very high136 Ų13664.1 Ų64.164%0.63634%0.335SS*.Hα-helixtrans-64.1-46.4174.5-70.7176.8-179.700112.2L561 R562 L563 K568 K569L561-E565 WeakPolarHBondContact O-CG 2.9Å; L561-E565 PolarHBondContact O-N 3.37Å; R562-E565 PolarHBondContact O-N 2.8Å; L563-E565 VanDerWaalsContact C-N 3.35Å; L563-E565 PolarHBondContact O-N 2.95Å; E565-K568 PolarHBondContact O-N 2.89Å; E565-K569 WeakPolarHBondContact O-CB 3.47Å; E565-K569 PolarHBondContact O-N 3.43Å
566L97.1Very high96Very high11 Ų1167.4 Ų67.46%0.05835%0.351CS..Hα-helixtrans-66.4-38178.5-71.5170.6000112.1R562 L563 K569 A570 V626 E629 Y630 L633R562-L566 WeakPolarHBondContact O-CB 3.44Å; R562-L566 VanDerWaalsContact O-CG 3.3Å; R562-L566 WeakPolarHBondContact O-CG 3.46Å; R562-L566 PolarHBondContact O-N 3.25Å; L563-L566 PolarHBondContact O-N 3.47Å; L566-K569 PolarHBondContact O-N 3.01Å; L566-A570 WeakPolarHBondContact O-CB 3.47Å; L566-A570 PolarHBondContact O-N 3.2Å; L566-V626 HydrophobicContact CB-CG1 4.31Å; L566-V626 HydrophobicContact CD2-CG1 4.02Å; L566-V626 WeakPolarHBondContact O-CG1 3.47Å; L566-E629 HydrophobicContact CD1-CB 4.2Å; L566-E629 HydrophobicContact CD1-CG 3.77Å; L566-E629 HydrophobicContact CD2-CB 4.4Å; L566-E629 HydrophobicContact CD2-CG 4.24Å; L566-Y630 HydrophobicContact CB-CD2 4.05Å; L566-L633 HydrophobicContact CD1-CD1 3.66Å
567E97.3Very high95.9Very high68 Ų6875 Ų7532%0.31839%0.385SS..Hα-helixtrans-62.2-51.1175178.8165-163.100111.1L563 K569 A570 H571 L580 Y630L563-E567 VanDerWaalsContact O-CB 3.26Å; L563-E567 WeakPolarHBondContact O-CB 3.15Å; L563-E567 PolarHBondContact O-N 3.18Å; E567-K569 VanDerWaalsContact C-N 3.29Å; E567-K569 PolarHBondContact O-N 2.72Å; E567-A570 WeakPolarHBondContact O-CB 3.37Å; E567-A570 PolarHBondContact O-N 2.84Å; E567-A570 VanDerWaalsContact O-N 3.09Å; E567-H571 WeakPolarHBondContact CG-CE1 3.4Å; E567-H571 PolarHBondContact O-N 3.09Å; E567-H571 IonicContact OE1-CE1 2.56Å; E567-H571 PolarHBondContact OE1-CE1 3.16Å; E567-H571 IonicContact OE1-NE2 2.64Å; E567-L580 HydrophobicContact CG-CD1 4.22Å; E567-Y630 HydrophobicContact CB-CE2 4.02Å
568K96.8Very high95.8Very high155 Ų15570.6 Ų70.667%0.67436%0.364SS*.Hα-helixtrans-57.3-43.8175.9-175.7-179.7178.7-177.30111.8A564 E565 H571 E572A564-K568 WeakPolarHBondContact O-CB 3.38Å; A564-K568 PolarHBondContact O-N 3.11Å; E565-K568 PolarHBondContact O-N 2.89Å; K568-H571 PolarHBondContact O-N 3.23Å; K568-E572 PolarHBondContact O-N 3.41Å
569K97.1Very high95.6Very high107 Ų10769.9 Ų69.947%0.46536%0.364SS..Hα-helixtrans-63.8-39.8176.9-175.2177.9-178.6178.90112E565 L566 E567 E572 I573 V626E565-K569 WeakPolarHBondContact O-CB 3.47Å; E565-K569 PolarHBondContact O-N 3.43Å; L566-K569 PolarHBondContact O-N 3.01Å; E567-K569 VanDerWaalsContact C-N 3.29Å; E567-K569 PolarHBondContact O-N 2.72Å; K569-E572 PolarHBondContact O-N 2.88Å; K569-I573 HydrophobicContact CG-CD1 4.05Å; K569-I573 WeakPolarHBondContact O-CD1 3.47Å; K569-I573 VanDerWaalsContact O-CG1 3.25Å; K569-I573 WeakPolarHBondContact O-CG1 3.29Å; K569-I573 PolarHBondContact O-N 2.62Å; K569-I573 VanDerWaalsContact O-N 3.08Å; K569-V626 HydrophobicContact CD-CG2 3.96Å; K569-V626 HydrophobicContact CG-CG2 4.25Å
570A96.6Very high95.4Very high0 Ų069.9 Ų69.90%036%0.363CS..Hα-helixtrans-66.8-42.4176.900000111.7L566 E567 E572 I573 A574 F578 L580 L623 V626L566-A570 WeakPolarHBondContact O-CB 3.47Å; L566-A570 PolarHBondContact O-N 3.2Å; E567-A570 WeakPolarHBondContact O-CB 3.37Å; E567-A570 PolarHBondContact O-N 2.84Å; E567-A570 VanDerWaalsContact O-N 3.09Å; A570-E572 VanDerWaalsContact C-N 3.33Å; A570-I573 PolarHBondContact O-N 2.6Å; A570-A574 VanDerWaalsContact O-CB 3.24Å; A570-A574 WeakPolarHBondContact O-CB 3.42Å; A570-A574 PolarHBondContact O-N 2.88Å; A570-F578 HydrophobicContact CB-CZ 4.28Å; A570-L580 HydrophobicContact CB-CD1 4.12Å; A570-L580 HydrophobicContact CB-CD2 3.67Å; A570-L580 HydrophobicContact CB-CG 4.14Å; A570-L623 HydrophobicContact CB-CD1 3.92Å; A570-V626 HydrophobicContact CB-CG1 3.95Å
571H97.4Very high95Very high32 Ų3270.5 Ų70.515%0.14837%0.37CS..Hα-helixtrans-61.9-40.7175-63.6162000111.7E567 K568 A574 G575 E576 F578E567-H571 WeakPolarHBondContact CG-CE1 3.4Å; E567-H571 PolarHBondContact O-N 3.09Å; E567-H571 IonicContact OE1-CE1 2.56Å; E567-H571 PolarHBondContact OE1-CE1 3.16Å; E567-H571 IonicContact OE1-NE2 2.64Å; K568-H571 PolarHBondContact O-N 3.23Å; H571-A574 PolarHBondContact O-N 3.34Å; H571-G575 WeakPolarHBondContact O-CA 3.5Å; H571-G575 PolarHBondContact O-N 3.21Å; H571-E576 WeakPolarHBondContact CA-O 3.49Å; H571-E576 PolarHBondContact O-N 3.31Å; H571-F578 AromaticContact CD2-CD1 3.87Å; H571-F578 AromaticContact CD2-CE1 3.93Å; H571-F578 PolarHBondContact NE2-N 3.45Å; H571-F578 PolarHBondContact NE2-O 3.01Å
572E95.7Very high94.7Very high157 Ų15766.4 Ų66.473%0.73435%0.352SS*.Hα-helixtrans-61.7-45.3175.5-174179.2-178.500112.1K568 K569 A570 G575K568-E572 PolarHBondContact O-N 3.41Å; K569-E572 PolarHBondContact O-N 2.88Å; A570-E572 VanDerWaalsContact C-N 3.33Å; E572-G575 PolarHBondContact O-N 3.45Å
573I95.1Very high94.4Very high56 Ų5666.2 Ų66.229%0.28736%0.358SS..Hα-helixtrans-70.4-35.2178.6-60.9163000111.5K569 A570 Q594 P622 L623 V626K569-I573 HydrophobicContact CG-CD1 4.05Å; K569-I573 WeakPolarHBondContact O-CD1 3.47Å; K569-I573 VanDerWaalsContact O-CG1 3.25Å; K569-I573 WeakPolarHBondContact O-CG1 3.29Å; K569-I573 PolarHBondContact O-N 2.62Å; K569-I573 VanDerWaalsContact O-N 3.08Å; A570-I573 PolarHBondContact O-N 2.6Å; I573-Q594 PolarHBondContact O-NE2 3.06Å; I573-P622 HydrophobicContact CD1-CB 4.48Å; I573-P622 HydrophobicContact CG2-CG 4.22Å; I573-L623 HydrophobicContact CB-CD1 4.43Å; I573-L623 HydrophobicContact CG2-CB 3.76Å; I573-V626 HydrophobicContact CD1-CG2 3.94Å
574A93.5Very high94.1Very high20 Ų2072.9 Ų72.917%0.16539%0.386CS..Hα-helixtrans-75.9-25.917800000113A570 H571 E576 F578 I589 L623A570-A574 VanDerWaalsContact O-CB 3.24Å; A570-A574 WeakPolarHBondContact O-CB 3.42Å; A570-A574 PolarHBondContact O-N 2.88Å; H571-A574 PolarHBondContact O-N 3.34Å; A574-E576 VanDerWaalsContact C-N 3.31Å; A574-F578 HydrophobicContact CB-CD1 3.95Å; A574-F578 HydrophobicContact CB-CE1 3.44Å; A574-F578 VanDerWaalsContact CB-CE1 3.44Å; A574-F578 HydrophobicContact CB-CZ 4.43Å; A574-I589 HydrophobicContact CB-CG2 3.9Å; A574-L623 HydrophobicContact CB-CD2 4.22Å
575G91.8Very high94Very high70 Ų7074.1 Ų74.172%0.72238%0.382SS*.THydrogen-bonded Turntrans81.55.2-175.500000114.5H571 E572H571-G575 WeakPolarHBondContact O-CA 3.5Å; H571-G575 PolarHBondContact O-N 3.21Å; E572-G575 PolarHBondContact O-N 3.45Å
576E92.2Very high93.8Very high71 Ų7167.6 Ų67.633%0.33235%0.352SS..SBendtrans-158.2162.2179.164.1179.8-160.100111.8H571 A574 I589 K593H571-E576 WeakPolarHBondContact CA-O 3.49Å; H571-E576 PolarHBondContact O-N 3.31Å; A574-E576 VanDerWaalsContact C-N 3.31Å; E576-I589 HydrophobicContact CG-CD1 3.88Å; E576-I589 WeakPolarHBondContact OE1-CD1 3.15Å; E576-K593 WeakPolarHBondContact OE1-CD 3.23Å; E576-K593 WeakPolarHBondContact OE1-CE 3.43Å; E576-K593 IonicContact OE1-NZ 3.95Å; E576-K593 PolarHBondContact OE1-NZ 2.84Å; E576-K593 IonicContact OE2-NZ 2.8Å; E576-K593 PolarHBondContact OE2-NZ 2.89Å
577E93.6Very high93.5Very high169 Ų16968.6 Ų68.679%0.7936%0.357SS*.  trans-77.6133.9172.9-65.6-177-17900111
578F94.2Very high93.3Very high14 Ų1467.2 Ų67.26%0.06135%0.353CS..  trans-153.6161.4173.470.1-81.1000109.7A570 H571 A574 L580 Q585 L586 I589 L623A570-F578 HydrophobicContact CB-CZ 4.28Å; H571-F578 AromaticContact CD2-CD1 3.87Å; H571-F578 AromaticContact CD2-CE1 3.93Å; H571-F578 PolarHBondContact NE2-N 3.45Å; H571-F578 PolarHBondContact NE2-O 3.01Å; A574-F578 HydrophobicContact CB-CD1 3.95Å; A574-F578 HydrophobicContact CB-CE1 3.44Å; A574-F578 VanDerWaalsContact CB-CE1 3.44Å; A574-F578 HydrophobicContact CB-CZ 4.43Å; F578-L580 HydrophobicContact CD2-CD1 4.2Å; F578-L580 HydrophobicContact CE1-CD1 4.28Å; F578-L580 HydrophobicContact CE2-CB 4.41Å; F578-L580 HydrophobicContact CE2-CD1 3.66Å; F578-L580 HydrophobicContact CE2-CG 3.78Å; F578-L580 HydrophobicContact CZ-CD1 3.72Å; F578-L580 HydrophobicContact CZ-CG 3.96Å; F578-L580 WeakPolarHBondContact O-CD1 3.19Å; F578-L580 PolarHBondContact O-N 3.16Å; F578-Q585 HydrophobicContact CB-CB 4.47Å; F578-L586 HydrophobicContact CD2-CD2 4.2Å; F578-L586 HydrophobicContact CE2-CD2 3.43Å; F578-L586 VanDerWaalsContact CE2-CD2 3.43Å; F578-L586 HydrophobicContact CE2-CG 4.44Å; F578-L586 HydrophobicContact CZ-CD2 4.22Å; F578-I589 HydrophobicContact CB-CD1 4.35Å; F578-I589 HydrophobicContact CB-CG1 4.3Å; F578-I589 HydrophobicContact CD1-CD1 4.05Å; F578-I589 HydrophobicContact CD1-CG1 3.95Å; F578-I589 HydrophobicContact CD2-CG1 4.07Å; F578-I589 HydrophobicContact CE1-CG1 4.35Å; F578-I589 HydrophobicContact CE2-CG1 4.46Å; F578-I589 HydrophobicContact CG-CD1 4.17Å; F578-I589 HydrophobicContact CG-CG1 3.81Å; F578-L623 HydrophobicContact CZ-CD1 4.44Å
579N92.1Very high93.2Very high72 Ų7260 Ų6039%0.38532%0.322SS..  trans-83.7109.8177.1-178.6-11.4000110.6S581 S582N579-S581 PolarHBondContact ND2-OG 2.88Å; N579-S581 PolarHBondContact O-N 3.42Å; N579-S581 WeakPolarHBondContact OD1-CB 3.31Å; N579-S581 PolarHBondContact OD1-N 3.32Å; N579-S581 PolarHBondContact OD1-OG 3.24Å; N579-S582 WeakPolarHBondContact O-CB 3.26Å; N579-S582 PolarHBondContact O-N 2.85Å
580L92.4Very high93Very high0 Ų054.9 Ų54.90%030%0.299CS..THydrogen-bonded Turntrans-64.1-20.4179.6-77.867.9000114.1E567 A570 F578 Y630E567-L580 HydrophobicContact CG-CD1 4.22Å; A570-L580 HydrophobicContact CB-CD1 4.12Å; A570-L580 HydrophobicContact CB-CD2 3.67Å; A570-L580 HydrophobicContact CB-CG 4.14Å; F578-L580 HydrophobicContact CD2-CD1 4.2Å; F578-L580 HydrophobicContact CE1-CD1 4.28Å; F578-L580 HydrophobicContact CE2-CB 4.41Å; F578-L580 HydrophobicContact CE2-CD1 3.66Å; F578-L580 HydrophobicContact CE2-CG 3.78Å; F578-L580 HydrophobicContact CZ-CD1 3.72Å; F578-L580 HydrophobicContact CZ-CG 3.96Å; F578-L580 WeakPolarHBondContact O-CD1 3.19Å; F578-L580 PolarHBondContact O-N 3.16Å; L580-Y630 HydrophobicContact CB-CD1 3.63Å; L580-Y630 HydrophobicContact CB-CE1 3.55Å; L580-Y630 HydrophobicContact CB-CG 4.23Å; L580-Y630 HydrophobicContact CD2-CD1 3.75Å; L580-Y630 HydrophobicContact CD2-CD2 3.57Å; L580-Y630 HydrophobicContact CD2-CE1 4.16Å; L580-Y630 HydrophobicContact CD2-CE2 3.98Å; L580-Y630 HydrophobicContact CD2-CG 3.44Å; L580-Y630 VanDerWaalsContact CD2-CG 3.44Å; L580-Y630 HydrophobicContact CG-CD1 4.38Å
581S86.6Confident92.9Very high80 Ų8056 Ų5656%0.55930%0.304SS*.THydrogen-bonded Turntrans-81.1-18173.272.30000112.9N579 T583N579-S581 PolarHBondContact ND2-OG 2.88Å; N579-S581 PolarHBondContact O-N 3.42Å; N579-S581 WeakPolarHBondContact OD1-CB 3.31Å; N579-S581 PolarHBondContact OD1-N 3.32Å; N579-S581 PolarHBondContact OD1-OG 3.24Å; S581-T583 PolarHBondContact O-N 2.97Å
582S91.5Very high92.6Very high32 Ų3260.8 Ų60.822%0.22433%0.326CS..  trans-83.8104.6-178.4-178.60000111.8N579 K584 Q585 L586N579-S582 WeakPolarHBondContact O-CB 3.26Å; N579-S582 PolarHBondContact O-N 2.85Å; S582-K584 PolarHBondContact O-N 2.94Å; S582-Q585 PolarHBondContact O-N 2.97Å; S582-Q585 VanDerWaalsContact O-N 3.16Å; S582-Q585 PolarHBondContact OG-N 3.22Å; S582-L586 WeakPolarHBondContact O-CG 3.09Å; S582-L586 PolarHBondContact O-N 2.89Å
583T90.3Very high92.3Very high66 Ų6659 Ų5941%0.40532%0.316SS..Hα-helixtrans-52.1-39.4173.6-640000112.7S581 L586 Q587 T609 R631S581-T583 PolarHBondContact O-N 2.97Å; T583-L586 PolarHBondContact O-N 3.44Å; T583-Q587 VanDerWaalsContact O-CG 3.27Å; T583-Q587 WeakPolarHBondContact O-CG 3.09Å; T583-Q587 PolarHBondContact O-N 2.71Å; T583-T609 WeakPolarHBondContact CG2-OG1 3.43Å; T583-R631 PolarHBondContact OG1-NH2 3.33Å
584K91.1Very high92.1Very high157 Ų15759.6 Ų59.668%0.68332%0.318SS*.Hα-helixtrans-65.6-45.2179.3-173.2-178.9179.5-177.60112.1S582 L586 Q587 T588S582-K584 PolarHBondContact O-N 2.94Å; K584-L586 VanDerWaalsContact C-N 3.34Å; K584-Q587 WeakPolarHBondContact O-CB 3.47Å; K584-Q587 PolarHBondContact O-N 2.85Å; K584-T588 PolarHBondContact O-N 3.43Å; K584-T588 PolarHBondContact O-OG1 3.02Å
585Q93.7Very high91.8Very high83 Ų8361.1 Ų61.139%0.38834%0.336SS..Hα-helixtrans-67.4-39.1178.9-67.7-175.213.100110.9F578 S582 Q587 T588 I589F578-Q585 HydrophobicContact CB-CB 4.47Å; S582-Q585 PolarHBondContact O-N 2.97Å; S582-Q585 VanDerWaalsContact O-N 3.16Å; S582-Q585 PolarHBondContact OG-N 3.22Å; Q585-Q587 VanDerWaalsContact C-N 3.31Å; Q585-Q587 PolarHBondContact O-N 3.01Å; Q585-T588 WeakPolarHBondContact O-CB 3.38Å; Q585-T588 PolarHBondContact O-N 3.05Å; Q585-T588 VanDerWaalsContact O-N 3.16Å; Q585-I589 WeakPolarHBondContact O-CG1 3.48Å; Q585-I589 PolarHBondContact O-N 3.49Å
586L93Very high91.7Very high0 Ų058 Ų580%030%0.303CS..Hα-helixtrans-59.3-40.2173.4-72.7178.9000113.3F578 S582 T583 K584 T588 I589 L590 T609 I627F578-L586 HydrophobicContact CD2-CD2 4.2Å; F578-L586 HydrophobicContact CE2-CD2 3.43Å; F578-L586 VanDerWaalsContact CE2-CD2 3.43Å; F578-L586 HydrophobicContact CE2-CG 4.44Å; F578-L586 HydrophobicContact CZ-CD2 4.22Å; S582-L586 WeakPolarHBondContact O-CG 3.09Å; S582-L586 PolarHBondContact O-N 2.89Å; T583-L586 PolarHBondContact O-N 3.44Å; K584-L586 VanDerWaalsContact C-N 3.34Å; L586-T588 VanDerWaalsContact C-N 3.32Å; L586-T588 PolarHBondContact O-N 2.89Å; L586-I589 PolarHBondContact O-N 3.39Å; L586-L590 WeakPolarHBondContact O-CB 3.45Å; L586-L590 WeakPolarHBondContact O-CG 3.33Å; L586-L590 PolarHBondContact O-N 3.44Å; L586-T609 HydrophobicContact CB-CG2 4.15Å; L586-I627 HydrophobicContact CD1-CG2 3.97Å; L586-I627 HydrophobicContact CD2-CD1 3.47Å; L586-I627 VanDerWaalsContact CD2-CD1 3.47Å; L586-I627 HydrophobicContact CD2-CG1 3.98Å; L586-I627 HydrophobicContact CD2-CG2 4.35Å
587Q92.5Very high91.5Very high32 Ų3263 Ų6315%0.1532%0.323CS..Hα-helixtrans-58.8-47.1175.2-73164.8-13.500110.9T583 K584 Q585 F591 P607 T609T583-Q587 VanDerWaalsContact O-CG 3.27Å; T583-Q587 WeakPolarHBondContact O-CG 3.09Å; T583-Q587 PolarHBondContact O-N 2.71Å; K584-Q587 WeakPolarHBondContact O-CB 3.47Å; K584-Q587 PolarHBondContact O-N 2.85Å; Q585-Q587 VanDerWaalsContact C-N 3.31Å; Q585-Q587 PolarHBondContact O-N 3.01Å; Q587-F591 HydrophobicContact CB-CD2 4.07Å; Q587-F591 HydrophobicContact CB-CE2 4.39Å; Q587-F591 HydrophobicContact CG-CD2 4.29Å; Q587-F591 HydrophobicContact CG-CE2 4.14Å; Q587-F591 WeakPolarHBondContact O-CB 3.31Å; Q587-F591 VanDerWaalsContact O-CD2 3.28Å; Q587-F591 WeakPolarHBondContact O-CD2 3.48Å; Q587-F591 PolarHBondContact O-N 3.31Å; Q587-P607 HydrophobicContact CG-CB 4.42Å; Q587-P607 WeakPolarHBondContact CG-O 2.86Å; Q587-P607 PolarHBondContact NE2-O 3.09Å; Q587-T609 HydrophobicContact CG-CG2 3.86Å
588T92.2Very high91.2Very high39 Ų3957.7 Ų57.724%0.23930%0.303CS..Iπ-helixtrans-62-46.5176.6-60.40000111.8K584 Q585 L586 E592 K593K584-T588 PolarHBondContact O-N 3.43Å; K584-T588 PolarHBondContact O-OG1 3.02Å; Q585-T588 WeakPolarHBondContact O-CB 3.38Å; Q585-T588 PolarHBondContact O-N 3.05Å; Q585-T588 VanDerWaalsContact O-N 3.16Å; L586-T588 VanDerWaalsContact C-N 3.32Å; L586-T588 PolarHBondContact O-N 2.89Å; T588-E592 WeakPolarHBondContact O-CA 3.5Å; T588-E592 VanDerWaalsContact O-CB 3.3Å; T588-E592 WeakPolarHBondContact O-CB 3.23Å; T588-E592 PolarHBondContact O-N 3.47Å; T588-E592 VanDerWaalsContact O-N 3.15Å; T588-K593 PolarHBondContact O-N 3.24Å
589I94.2Very high90.7Very high3 Ų360.8 Ų60.82%0.01532%0.32CS..Iπ-helixtrans-62.1-54.3179.2-63.4-60.6000111.4A574 E576 F578 Q585 L586 K593 Q594 L623A574-I589 HydrophobicContact CB-CG2 3.9Å; E576-I589 HydrophobicContact CG-CD1 3.88Å; E576-I589 WeakPolarHBondContact OE1-CD1 3.15Å; F578-I589 HydrophobicContact CB-CD1 4.35Å; F578-I589 HydrophobicContact CB-CG1 4.3Å; F578-I589 HydrophobicContact CD1-CD1 4.05Å; F578-I589 HydrophobicContact CD1-CG1 3.95Å; F578-I589 HydrophobicContact CD2-CG1 4.07Å; F578-I589 HydrophobicContact CE1-CG1 4.35Å; F578-I589 HydrophobicContact CE2-CG1 4.46Å; F578-I589 HydrophobicContact CG-CD1 4.17Å; F578-I589 HydrophobicContact CG-CG1 3.81Å; Q585-I589 WeakPolarHBondContact O-CG1 3.48Å; Q585-I589 PolarHBondContact O-N 3.49Å; L586-I589 PolarHBondContact O-N 3.39Å; I589-K593 HydrophobicContact CD1-CD 4.19Å; I589-Q594 WeakPolarHBondContact O-CB 3.4Å; I589-Q594 PolarHBondContact O-N 3.04Å; I589-L623 HydrophobicContact CG2-CD2 3.52Å
590L93.8Very high90.3Very high0 Ų061.1 Ų61.10%032%0.318CS..Iπ-helixtrans-71.7-49.6-171.6-66.5171.9000111.5L586 G595 I596 T609 L614 L623 P624 I627L586-L590 WeakPolarHBondContact O-CB 3.45Å; L586-L590 WeakPolarHBondContact O-CG 3.33Å; L586-L590 PolarHBondContact O-N 3.44Å; L590-G595 PolarHBondContact O-N 3.38Å; L590-I596 HydrophobicContact CB-CD1 4.39Å; L590-I596 HydrophobicContact CD2-CD1 3.88Å; L590-I596 VanDerWaalsContact O-CB 3.23Å; L590-I596 WeakPolarHBondContact O-CB 3.47Å; L590-I596 WeakPolarHBondContact O-CG1 3.41Å; L590-I596 PolarHBondContact O-N 2.66Å; L590-T609 HydrophobicContact CD1-CG2 4.3Å; L590-L614 HydrophobicContact CD1-CD2 3.76Å; L590-L623 HydrophobicContact CD2-CB 4.46Å; L590-L623 HydrophobicContact CD2-CD2 3.83Å; L590-L623 HydrophobicContact CD2-CG 4.12Å; L590-P624 HydrophobicContact CD2-CG 3.96Å; L590-I627 HydrophobicContact CD1-CD1 4.29Å; L590-I627 HydrophobicContact CD2-CD1 4.27Å
591F94.1Very high90Very high23 Ų2368.3 Ų68.310%0.10135%0.349CS..Iπ-helixtrans-94.3-35.9-168.1-50.8-60.1000113.1Q587 G595 I596 P598 P607 S608 T609 L617Q587-F591 HydrophobicContact CB-CD2 4.07Å; Q587-F591 HydrophobicContact CB-CE2 4.39Å; Q587-F591 HydrophobicContact CG-CD2 4.29Å; Q587-F591 HydrophobicContact CG-CE2 4.14Å; Q587-F591 WeakPolarHBondContact O-CB 3.31Å; Q587-F591 VanDerWaalsContact O-CD2 3.28Å; Q587-F591 WeakPolarHBondContact O-CD2 3.48Å; Q587-F591 PolarHBondContact O-N 3.31Å; F591-G595 WeakPolarHBondContact O-CA 3.35Å; F591-I596 HydrophobicContact CD1-CB 4.45Å; F591-I596 WeakPolarHBondContact CD1-O 3.28Å; F591-P598 HydrophobicContact CD1-CB 3.9Å; F591-P598 HydrophobicContact CE1-CB 3.85Å; F591-P598 HydrophobicContact CG-CB 4.43Å; F591-P598 HydrophobicContact CZ-CB 4.33Å; F591-P607 HydrophobicContact CD1-CB 4.48Å; F591-P607 HydrophobicContact CD2-CB 3.16Å; F591-P607 HydrophobicContact CD2-CG 3.85Å; F591-P607 HydrophobicContact CE2-CB 3.2Å; F591-P607 HydrophobicContact CE2-CG 4.35Å; F591-P607 HydrophobicContact CG-CB 3.87Å; F591-P607 HydrophobicContact CG-CG 4.29Å; F591-P607 HydrophobicContact CZ-CB 3.92Å; F591-S608 WeakPolarHBondContact CZ-O 3.5Å; F591-T609 HydrophobicContact CE2-CG2 3.72Å; F591-T609 HydrophobicContact CZ-CG2 4.17Å; F591-L617 HydrophobicContact CE1-CD1 4.17Å; F591-L617 HydrophobicContact CZ-CD1 4.49Å
592E90.8Very high89.7Confident132 Ų13266.9 Ų66.962%0.61734%0.337SS*.Iπ-helixtrans-89.6-50.1-178.7-58.6170.8-150.500111.9T588T588-E592 WeakPolarHBondContact O-CA 3.5Å; T588-E592 VanDerWaalsContact O-CB 3.3Å; T588-E592 WeakPolarHBondContact O-CB 3.23Å; T588-E592 PolarHBondContact O-N 3.47Å; T588-E592 VanDerWaalsContact O-N 3.15Å
593K90.1Very high88.5Confident119 Ų11972.6 Ų72.652%0.51737%0.374SS..Iπ-helixtrans-82.1-50.5-174.7-67.4-169.1174.5178.60113.3E576 T588 I589 G595E576-K593 WeakPolarHBondContact OE1-CD 3.23Å; E576-K593 WeakPolarHBondContact OE1-CE 3.43Å; E576-K593 IonicContact OE1-NZ 3.95Å; E576-K593 PolarHBondContact OE1-NZ 2.84Å; E576-K593 IonicContact OE2-NZ 2.8Å; E576-K593 PolarHBondContact OE2-NZ 2.89Å; T588-K593 PolarHBondContact O-N 3.24Å; I589-K593 HydrophobicContact CD1-CD 4.19Å; K593-G595 VanDerWaalsContact C-N 3.3Å
594Q90.1Very high87.9Confident70 Ų7073 Ų7333%0.32739%0.391SS..SBendtrans-79.3-14.4175.9-68.7-171.3-1000113I573 I589 I596 L623I573-Q594 PolarHBondContact O-NE2 3.06Å; I589-Q594 WeakPolarHBondContact O-CB 3.4Å; I589-Q594 PolarHBondContact O-N 3.04Å; Q594-I596 VanDerWaalsContact C-N 3.26Å; Q594-I596 HydrophobicContact CB-CD1 4.26Å; Q594-I596 HydrophobicContact CB-CG1 4.1Å; Q594-I596 PolarHBondContact O-N 2.83Å; Q594-L623 VanDerWaalsContact NE2-CD2 3.34Å
595G87.8Confident87.3Confident52 Ų5267.4 Ų67.454%0.53638%0.378SS..  trans68.222.5177.700000114.1L590 F591 K593L590-G595 PolarHBondContact O-N 3.38Å; F591-G595 WeakPolarHBondContact O-CA 3.35Å; K593-G595 VanDerWaalsContact C-N 3.3Å
596I90.3Very high86.9Confident5 Ų565.1 Ų65.13%0.02637%0.373CS..PPolyproline II helixtrans-65137.1175.1-60.5174000108.2L590 F591 Q594 L617 Y621L590-I596 HydrophobicContact CB-CD1 4.39Å; L590-I596 HydrophobicContact CD2-CD1 3.88Å; L590-I596 VanDerWaalsContact O-CB 3.23Å; L590-I596 WeakPolarHBondContact O-CB 3.47Å; L590-I596 WeakPolarHBondContact O-CG1 3.41Å; L590-I596 PolarHBondContact O-N 2.66Å; F591-I596 HydrophobicContact CD1-CB 4.45Å; F591-I596 WeakPolarHBondContact CD1-O 3.28Å; Q594-I596 VanDerWaalsContact C-N 3.26Å; Q594-I596 HydrophobicContact CB-CD1 4.26Å; Q594-I596 HydrophobicContact CB-CG1 4.1Å; Q594-I596 PolarHBondContact O-N 2.83Å; I596-L617 HydrophobicContact CG2-CD1 4.2Å; I596-L617 HydrophobicContact CG2-CD2 3.59Å; I596-Y621 HydrophobicContact CD1-CD1 3.78Å; I596-Y621 HydrophobicContact CD1-CD2 4.02Å; I596-Y621 HydrophobicContact CD1-CE1 4.17Å; I596-Y621 HydrophobicContact CD1-CE2 4.4Å; I596-Y621 HydrophobicContact CD1-CG 3.7Å; I596-Y621 HydrophobicContact CG1-CD1 3.96Å; I596-Y621 HydrophobicContact CG1-CD2 4.36Å; I596-Y621 HydrophobicContact CG1-CE1 3.81Å; I596-Y621 HydrophobicContact CG1-CE2 4.23Å; I596-Y621 HydrophobicContact CG1-CG 4.23Å; I596-Y621 HydrophobicContact CG2-CD2 4.07Å; I596-Y621 HydrophobicContact CG2-CE2 3.64Å
597K87.1Confident86.7Confident175 Ų17567 Ų6776%0.76139%0.385SS*.PPolyproline II helixtrans-76.8129.4177-68.6-175.5-179-179.60110L599K597-L599 PolarHBondContact O-N 2.91Å
598P86.5Confident86.5Confident58 Ų5866.1 Ų66.138%0.37738%0.382SS..PPolyproline II helixtrans-69.6127.7177.627.9-34000111.5F591 P607F591-P598 HydrophobicContact CD1-CB 3.9Å; F591-P598 HydrophobicContact CE1-CB 3.85Å; F591-P598 HydrophobicContact CG-CB 4.43Å; F591-P598 HydrophobicContact CZ-CB 4.33Å; P598-P607 HydrophobicContact CB-CB 3.89Å; P598-P607 HydrophobicContact CB-CG 4.34Å
599L84Confident86.5Confident78 Ų7864.5 Ų64.541%0.40837%0.373SS..SBendtrans-79.3-32.3179.8-60.1174.3000112.8K597 V613 E616 L617K597-L599 PolarHBondContact O-N 2.91Å; L599-V613 HydrophobicContact CB-CG1 4.31Å; L599-V613 HydrophobicContact CD1-CG1 4.46Å; L599-E616 HydrophobicContact CD1-CB 3.7Å; L599-E616 HydrophobicContact CD1-CG 3.58Å; L599-L617 HydrophobicContact CD1-CD2 3.69Å; L599-L617 HydrophobicContact CD1-CG 3.82Å; L599-L617 HydrophobicContact CG-CD2 3.92Å; L599-L617 HydrophobicContact CG-CG 4.38Å
600K85.1Confident86.2Confident79 Ų7966.6 Ų66.634%0.34339%0.388SS..  trans-141.3159.6177.4-63.2-172.8-173.6-179.50110.6S608 E612 V613K600-S608 WeakPolarHBondContact O-CB 3.26Å; K600-S608 PolarHBondContact O-N 3.35Å; K600-E612 IonicContact NZ-OE1 3.8Å; K600-E612 PolarHBondContact NZ-OE1 2.83Å; K600-E612 IonicContact NZ-OE2 3.87Å; K600-E612 PolarHBondContact NZ-OE2 2.91Å; K600-V613 HydrophobicContact CB-CG2 3.91Å; K600-V613 HydrophobicContact CD-CG2 3.96Å; K600-V613 HydrophobicContact CG-CG2 4.03Å
601K84.9Confident85.9Confident152 Ų15272.9 Ų72.966%0.66142%0.417SS*.BIsolated β-bridgetrans-112.7151.1170.9-67.4178.2174.7-174.40110G605 A606K601-G605 WeakPolarHBondContact CD-O 3.29Å; K601-A606 CarbonylContact C-O 3.51Å; K601-A606 VanDerWaalsContact CA-O 3.27Å; K601-A606 WeakPolarHBondContact CA-O 3.47Å
602T79.7Confident85.4Confident50 Ų5075 Ų7531%0.30743%0.427SS..  trans-69.8165.6168.6670000109.9G604 G605 A606T602-G604 PolarHBondContact O-N 3.4Å; T602-G604 VanDerWaalsContact O-N 3.09Å; T602-G604 PolarHBondContact OG1-N 2.72Å; T602-G605 PolarHBondContact O-N 3.24Å; T602-A606 PolarHBondContact N-O 3.46Å; T602-A606 PolarHBondContact OG1-N 3.4Å; T602-A606 PolarHBondContact OG1-O 2.99Å
603P68.1Low85.3Confident152 Ų15268.8 Ų68.899%0.98740%0.398SS*.THydrogen-bonded Turntrans-54.3-26.9172.2-27.535.9000113.7G605P603-G605 VanDerWaalsContact C-N 3.27Å; P603-G605 PolarHBondContact O-N 3.1Å
604G77Confident85.3Confident74 Ų7463.1 Ų63.176%0.76337%0.373SS*.THydrogen-bonded Turntrans-83.48.4174.200000114.8T602 A606T602-G604 PolarHBondContact O-N 3.4Å; T602-G604 VanDerWaalsContact O-N 3.09Å; T602-G604 PolarHBondContact OG1-N 2.72Å; G604-A606 VanDerWaalsContact C-N 3.26Å; G604-A606 PolarHBondContact O-N 2.95Å
605G78.9Confident85.3Confident40 Ų4064.8 Ų64.841%0.41238%0.381SS..SBendtrans81.1-10.7176.900000115.8K601 T602 P603K601-G605 WeakPolarHBondContact CD-O 3.29Å; T602-G605 PolarHBondContact O-N 3.24Å; P603-G605 VanDerWaalsContact C-N 3.27Å; P603-G605 PolarHBondContact O-N 3.1Å
606A84.6Confident85.2Confident35 Ų3566.1 Ų66.129%0.28937%0.374SS..SBendtrans-69.3147.917700000111.5K601 T602 G604 S608K601-A606 CarbonylContact C-O 3.51Å; K601-A606 VanDerWaalsContact CA-O 3.27Å; K601-A606 WeakPolarHBondContact CA-O 3.47Å; T602-A606 PolarHBondContact N-O 3.46Å; T602-A606 PolarHBondContact OG1-N 3.4Å; T602-A606 PolarHBondContact OG1-O 2.99Å; G604-A606 VanDerWaalsContact C-N 3.26Å; G604-A606 PolarHBondContact O-N 2.95Å; A606-S608 PolarHBondContact O-N 2.9Å
607P88.9Confident85.2Confident39 Ų3966.1 Ų66.125%0.25337%0.374SS..BIsolated β-bridgetrans-51131.2172-30.538.6000113Q587 F591 P598Q587-P607 HydrophobicContact CG-CB 4.42Å; Q587-P607 WeakPolarHBondContact CG-O 2.86Å; Q587-P607 PolarHBondContact NE2-O 3.09Å; F591-P607 HydrophobicContact CD1-CB 4.48Å; F591-P607 HydrophobicContact CD2-CB 3.16Å; F591-P607 HydrophobicContact CD2-CG 3.85Å; F591-P607 HydrophobicContact CE2-CB 3.2Å; F591-P607 HydrophobicContact CE2-CG 4.35Å; F591-P607 HydrophobicContact CG-CB 3.87Å; F591-P607 HydrophobicContact CG-CG 4.29Å; F591-P607 HydrophobicContact CZ-CB 3.92Å; P598-P607 HydrophobicContact CB-CB 3.89Å; P598-P607 HydrophobicContact CB-CG 4.34Å
608S89.2Confident85.4Confident13 Ų1359 Ų599%0.09135%0.347CS..PPolyproline II helixtrans-79.5135.6-179.8-175.60000111.3F591 K600 A606 S610 V613F591-S608 WeakPolarHBondContact CZ-O 3.5Å; K600-S608 WeakPolarHBondContact O-CB 3.26Å; K600-S608 PolarHBondContact O-N 3.35Å; A606-S608 PolarHBondContact O-N 2.9Å; S608-S610 WeakPolarHBondContact OG-CB 3.31Å; S608-S610 PolarHBondContact OG-N 3.35Å; S608-S610 PolarHBondContact OG-OG 2.7Å; S608-S610 VanDerWaalsContact OG-OG 3.05Å; S608-V613 VanDerWaalsContact O-CG1 3.31Å; S608-V613 WeakPolarHBondContact O-CG1 3.23Å
609T90.9Very high85.4Confident6 Ų663 Ų634%0.03737%0.365CS..  trans-118.837.216665.80000110T583 L586 Q587 L590 F591 L614 R631T583-T609 WeakPolarHBondContact CG2-OG1 3.43Å; L586-T609 HydrophobicContact CB-CG2 4.15Å; Q587-T609 HydrophobicContact CG-CG2 3.86Å; L590-T609 HydrophobicContact CD1-CG2 4.3Å; F591-T609 HydrophobicContact CE2-CG2 3.72Å; F591-T609 HydrophobicContact CZ-CG2 4.17Å; T609-L614 WeakPolarHBondContact O-CD1 3.3Å; T609-R631 PolarHBondContact O-NH1 3.37Å
610S88.6Confident85.6Confident47 Ų4765.3 Ų65.333%0.32938%0.378SS..  trans-64.3157.9172.957.70000110.6S608 E612 V613 L614S608-S610 WeakPolarHBondContact OG-CB 3.31Å; S608-S610 PolarHBondContact OG-N 3.35Å; S608-S610 PolarHBondContact OG-OG 2.7Å; S608-S610 VanDerWaalsContact OG-OG 3.05Å; S610-E612 VanDerWaalsContact C-N 3.32Å; S610-E612 PolarHBondContact O-N 3.27Å; S610-V613 PolarHBondContact O-N 2.64Å; S610-V613 WeakPolarHBondContact OG-CG2 3.24Å; S610-L614 PolarHBondContact O-N 2.65Å
611E87Confident86Confident131 Ų13165.8 Ų65.861%0.61238%0.378SS*.Hα-helixtrans-50.6-51.1178.5-171.5168.8-16700111.5V613 L614 E615 L628E611-V613 VanDerWaalsContact C-N 3.3Å; E611-V613 PolarHBondContact O-N 2.9Å; E611-L614 PolarHBondContact O-N 3.33Å; E611-L614 VanDerWaalsContact O-N 3.12Å; E611-E615 WeakPolarHBondContact O-CG 3.37Å; E611-E615 PolarHBondContact O-N 2.94Å; E611-L628 HydrophobicContact CG-CD2 3.93Å
612E84.2Confident86.4Confident68 Ų6862.5 Ų62.532%0.31837%0.372SS..Hα-helixtrans-53.8-40.3175.8-172.4-164.1-178.400113.8K600 S610 E616 R775K600-E612 IonicContact NZ-OE1 3.8Å; K600-E612 PolarHBondContact NZ-OE1 2.83Å; K600-E612 IonicContact NZ-OE2 3.87Å; K600-E612 PolarHBondContact NZ-OE2 2.91Å; S610-E612 VanDerWaalsContact C-N 3.32Å; S610-E612 PolarHBondContact O-N 3.27Å; E612-E616 PolarHBondContact O-N 3.34Å; E612-R775 IonicContact OE1-CZ 3.36Å; E612-R775 IonicContact OE1-NH1 2.85Å; E612-R775 PolarHBondContact OE1-NH1 3.46Å; E612-R775 IonicContact OE1-NH2 2.8Å; E612-R775 PolarHBondContact OE1-NH2 3Å
613V87.1Confident87.1Confident1 Ų160.1 Ų60.11%0.00636%0.358CS..Hα-helixtrans-75.2-39-178.9171.40000110.5L599 K600 S608 S610 E611 E615 E616 L617L599-V613 HydrophobicContact CB-CG1 4.31Å; L599-V613 HydrophobicContact CD1-CG1 4.46Å; K600-V613 HydrophobicContact CB-CG2 3.91Å; K600-V613 HydrophobicContact CD-CG2 3.96Å; K600-V613 HydrophobicContact CG-CG2 4.03Å; S608-V613 VanDerWaalsContact O-CG1 3.31Å; S608-V613 WeakPolarHBondContact O-CG1 3.23Å; S610-V613 PolarHBondContact O-N 2.64Å; S610-V613 WeakPolarHBondContact OG-CG2 3.24Å; E611-V613 VanDerWaalsContact C-N 3.3Å; E611-V613 PolarHBondContact O-N 2.9Å; V613-E615 VanDerWaalsContact C-N 3.32Å; V613-E616 PolarHBondContact O-N 3.28Å; V613-L617 HydrophobicContact CG1-CD1 4.09Å; V613-L617 HydrophobicContact CG1-CG 4.44Å; V613-L617 WeakPolarHBondContact O-CB 3.5Å; V613-L617 VanDerWaalsContact O-CG 3.3Å; V613-L617 WeakPolarHBondContact O-CG 3.34Å; V613-L617 PolarHBondContact O-N 3.14Å
614L91.9Very high88.4Confident0 Ų052.9 Ų52.90%031%0.311CS..Hα-helixtrans-68.2-33.7176.2-68.6174000111.6L590 T609 S610 E611 L617 A618 P624 I627 L628L590-L614 HydrophobicContact CD1-CD2 3.76Å; T609-L614 WeakPolarHBondContact O-CD1 3.3Å; S610-L614 PolarHBondContact O-N 2.65Å; E611-L614 PolarHBondContact O-N 3.33Å; E611-L614 VanDerWaalsContact O-N 3.12Å; L614-L617 PolarHBondContact O-N 2.91Å; L614-A618 WeakPolarHBondContact O-CB 3.35Å; L614-A618 PolarHBondContact O-N 3.2Å; L614-P624 HydrophobicContact CD2-CB 4.16Å; L614-I627 HydrophobicContact CD1-CG2 3.87Å; L614-L628 HydrophobicContact CB-CD1 4.17Å; L614-L628 HydrophobicContact CB-CD2 3.71Å; L614-L628 HydrophobicContact CB-CG 3.79Å; L614-L628 HydrophobicContact CD1-CD2 4.35Å
615E88.9Confident89.1Confident106 Ų10655.9 Ų55.950%0.49530%0.303SS..Hα-helixtrans-63-44174.8-77.3178.6158.500111.1E611 V613 A618 L628E611-E615 WeakPolarHBondContact O-CG 3.37Å; E611-E615 PolarHBondContact O-N 2.94Å; V613-E615 VanDerWaalsContact C-N 3.32Å; E615-A618 PolarHBondContact O-N 2.56Å; E615-L628 HydrophobicContact CB-CD1 4.32Å; E615-L628 HydrophobicContact CG-CD1 3.78Å; E615-L628 HydrophobicContact CG-CD2 4.23Å
616E86Confident90Very high79 Ų7954.2 Ų54.237%0.36929%0.285SS..Hα-helixtrans-65.9-45.2176.3-165.2173.3161.500111.1L599 E612 V613 A618 L619L599-E616 HydrophobicContact CD1-CB 3.7Å; L599-E616 HydrophobicContact CD1-CG 3.58Å; E612-E616 PolarHBondContact O-N 3.34Å; V613-E616 PolarHBondContact O-N 3.28Å; E616-A618 VanDerWaalsContact C-N 3.28Å; E616-A618 PolarHBondContact O-N 3.34Å; E616-L619 WeakPolarHBondContact O-CB 3.33Å; E616-L619 WeakPolarHBondContact O-CG 3.41Å; E616-L619 PolarHBondContact O-N 3.14Å
617L90.4Very high90.5Very high5 Ų552.6 Ų52.63%0.02627%0.271CS..Hα-helixtrans-66.1-28.5175.6-68.6176.4000113.2F591 I596 L599 V613 L614 L619 D620 Y621 P624F591-L617 HydrophobicContact CE1-CD1 4.17Å; F591-L617 HydrophobicContact CZ-CD1 4.49Å; I596-L617 HydrophobicContact CG2-CD1 4.2Å; I596-L617 HydrophobicContact CG2-CD2 3.59Å; L599-L617 HydrophobicContact CD1-CD2 3.69Å; L599-L617 HydrophobicContact CD1-CG 3.82Å; L599-L617 HydrophobicContact CG-CD2 3.92Å; L599-L617 HydrophobicContact CG-CG 4.38Å; V613-L617 HydrophobicContact CG1-CD1 4.09Å; V613-L617 HydrophobicContact CG1-CG 4.44Å; V613-L617 WeakPolarHBondContact O-CB 3.5Å; V613-L617 VanDerWaalsContact O-CG 3.3Å; V613-L617 WeakPolarHBondContact O-CG 3.34Å; V613-L617 PolarHBondContact O-N 3.14Å; L614-L617 PolarHBondContact O-N 2.91Å; L617-L619 PolarHBondContact O-N 2.73Å; L617-D620 PolarHBondContact O-N 2.92Å; L617-D620 VanDerWaalsContact O-N 3.16Å; L617-Y621 HydrophobicContact CB-CD2 4.27Å; L617-Y621 HydrophobicContact CD2-CD2 4.05Å; L617-Y621 HydrophobicContact CD2-CE2 4.01Å; L617-Y621 WeakPolarHBondContact O-CB 3.43Å; L617-Y621 WeakPolarHBondContact O-CD2 3.29Å; L617-Y621 PolarHBondContact O-N 3.04Å; L617-P624 HydrophobicContact CB-CB 3.99Å; L617-P624 HydrophobicContact CB-CG 3.8Å
618A90.5Very high90.6Very high25 Ų2552.5 Ų52.521%0.20727%0.268CS..THydrogen-bonded Turntrans-67.8-13.4179.600000113.4L614 E615 E616 D620 P624 K625 L628L614-A618 WeakPolarHBondContact O-CB 3.35Å; L614-A618 PolarHBondContact O-N 3.2Å; E615-A618 PolarHBondContact O-N 2.56Å; E616-A618 VanDerWaalsContact C-N 3.28Å; E616-A618 PolarHBondContact O-N 3.34Å; A618-D620 VanDerWaalsContact C-N 3.35Å; A618-P624 HydrophobicContact CB-CB 4.14Å; A618-K625 HydrophobicContact CB-CB 4.01Å; A618-L628 HydrophobicContact CB-CD1 4.01Å
619L87.7Confident90.9Very high142 Ų14255.5 Ų55.574%0.74328%0.281SS*.THydrogen-bonded Turntrans-67.1-37.8171.7-61.1176.1000111.7E616 L617E616-L619 WeakPolarHBondContact O-CB 3.33Å; E616-L619 WeakPolarHBondContact O-CG 3.41Å; E616-L619 PolarHBondContact O-N 3.14Å; L617-L619 PolarHBondContact O-N 2.73Å
620D88.6Confident91.1Very high128 Ų12856.7 Ų56.768%0.68429%0.285SS*.THydrogen-bonded Turntrans-107.3-25.5-173.9-62.7-56.8000113.1L617 A618L617-D620 PolarHBondContact O-N 2.92Å; L617-D620 VanDerWaalsContact O-N 3.16Å; A618-D620 VanDerWaalsContact C-N 3.35Å
621Y92.4Very high91.3Very high88 Ų8857.3 Ų57.335%0.34528%0.28SS..  trans-123.9131.2-170.1-57.2-76.4000112.6I596 L617 P624I596-Y621 HydrophobicContact CD1-CD1 3.78Å; I596-Y621 HydrophobicContact CD1-CD2 4.02Å; I596-Y621 HydrophobicContact CD1-CE1 4.17Å; I596-Y621 HydrophobicContact CD1-CE2 4.4Å; I596-Y621 HydrophobicContact CD1-CG 3.7Å; I596-Y621 HydrophobicContact CG1-CD1 3.96Å; I596-Y621 HydrophobicContact CG1-CD2 4.36Å; I596-Y621 HydrophobicContact CG1-CE1 3.81Å; I596-Y621 HydrophobicContact CG1-CE2 4.23Å; I596-Y621 HydrophobicContact CG1-CG 4.23Å; I596-Y621 HydrophobicContact CG2-CD2 4.07Å; I596-Y621 HydrophobicContact CG2-CE2 3.64Å; L617-Y621 HydrophobicContact CB-CD2 4.27Å; L617-Y621 HydrophobicContact CD2-CD2 4.05Å; L617-Y621 HydrophobicContact CD2-CE2 4.01Å; L617-Y621 WeakPolarHBondContact O-CB 3.43Å; L617-Y621 WeakPolarHBondContact O-CD2 3.29Å; L617-Y621 PolarHBondContact O-N 3.04Å; Y621-P624 WeakPolarHBondContact O-CD 3.21Å
622P93.5Very high91.5Very high84 Ų8452.8 Ų52.855%0.54527%0.269SS..Hα-helixtrans-71.4-32.8-176.926.7-34.1000113.7I573 K625 V626I573-P622 HydrophobicContact CD1-CB 4.48Å; I573-P622 HydrophobicContact CG2-CG 4.22Å; P622-K625 WeakPolarHBondContact O-CB 3.31Å; P622-K625 PolarHBondContact O-N 3.16Å; P622-V626 PolarHBondContact O-N 2.59Å
623L95Very high92Very high0 Ų050 Ų500%026%0.256CS..Hα-helixtrans-65.3-47.9-177.3178.960.4000112.6A570 I573 A574 F578 I589 L590 Q594 K625 V626 I627A570-L623 HydrophobicContact CB-CD1 3.92Å; I573-L623 HydrophobicContact CB-CD1 4.43Å; I573-L623 HydrophobicContact CG2-CB 3.76Å; A574-L623 HydrophobicContact CB-CD2 4.22Å; F578-L623 HydrophobicContact CZ-CD1 4.44Å; I589-L623 HydrophobicContact CG2-CD2 3.52Å; L590-L623 HydrophobicContact CD2-CB 4.46Å; L590-L623 HydrophobicContact CD2-CD2 3.83Å; L590-L623 HydrophobicContact CD2-CG 4.12Å; Q594-L623 VanDerWaalsContact NE2-CD2 3.34Å; L623-K625 PolarHBondContact O-N 3.13Å; L623-V626 PolarHBondContact O-N 3.37Å; L623-V626 VanDerWaalsContact O-N 3.11Å; L623-I627 HydrophobicContact CD1-CD1 3.99Å; L623-I627 HydrophobicContact CD1-CG1 4.09Å; L623-I627 HydrophobicContact CD2-CD1 4.35Å; L623-I627 HydrophobicContact CG-CD1 3.66Å; L623-I627 HydrophobicContact CG-CG1 4.28Å; L623-I627 VanDerWaalsContact O-CG1 3.32Å; L623-I627 WeakPolarHBondContact O-CG1 3.41Å; L623-I627 PolarHBondContact O-N 3.25Å
624P94.4Very high92.4Very high0 Ų051.2 Ų51.20%027%0.266CS..Hα-helixtrans-52.7-38172.4-31.337.2000114.3L590 L614 L617 A618 Y621 I627 L628L590-P624 HydrophobicContact CD2-CG 3.96Å; L614-P624 HydrophobicContact CD2-CB 4.16Å; L617-P624 HydrophobicContact CB-CB 3.99Å; L617-P624 HydrophobicContact CB-CG 3.8Å; A618-P624 HydrophobicContact CB-CB 4.14Å; Y621-P624 WeakPolarHBondContact O-CD 3.21Å; P624-I627 PolarHBondContact O-N 3.08Å; P624-L628 WeakPolarHBondContact O-CG 3.21Å; P624-L628 PolarHBondContact O-N 3.47Å
625K93.4Very high92.4Very high137 Ų13757.2 Ų57.260%0.59629%0.292SS*.Hα-helixtrans-61.7-46.5176.1-171.8177.1-179.1175.70112A618 P622 L623 L628 E629A618-K625 HydrophobicContact CB-CB 4.01Å; P622-K625 WeakPolarHBondContact O-CB 3.31Å; P622-K625 PolarHBondContact O-N 3.16Å; L623-K625 PolarHBondContact O-N 3.13Å; K625-L628 PolarHBondContact O-N 3.43Å; K625-E629 PolarHBondContact O-N 3.27Å; K625-E629 VanDerWaalsContact O-N 3.16Å
626V95.9Very high92.5Very high5 Ų552.6 Ų52.63%0.0327%0.271CS..Hα-helixtrans-65.7-39.6176.8178.10000111L566 K569 A570 I573 P622 L623 E629 Y630L566-V626 HydrophobicContact CB-CG1 4.31Å; L566-V626 HydrophobicContact CD2-CG1 4.02Å; L566-V626 WeakPolarHBondContact O-CG1 3.47Å; K569-V626 HydrophobicContact CD-CG2 3.96Å; K569-V626 HydrophobicContact CG-CG2 4.25Å; A570-V626 HydrophobicContact CB-CG1 3.95Å; I573-V626 HydrophobicContact CD1-CG2 3.94Å; P622-V626 PolarHBondContact O-N 2.59Å; L623-V626 PolarHBondContact O-N 3.37Å; L623-V626 VanDerWaalsContact O-N 3.11Å; V626-E629 PolarHBondContact O-N 2.85Å; V626-Y630 WeakPolarHBondContact O-CB 3.5Å; V626-Y630 PolarHBondContact O-N 3.06Å
627I95.2Very high92.9Very high0 Ų050.6 Ų50.60%026%0.261CS..Hα-helixtrans-63.5-44177.4-67.6160.3000111.4L586 L590 L614 L623 P624 Y630 R631L586-I627 HydrophobicContact CD1-CG2 3.97Å; L586-I627 HydrophobicContact CD2-CD1 3.47Å; L586-I627 VanDerWaalsContact CD2-CD1 3.47Å; L586-I627 HydrophobicContact CD2-CG1 3.98Å; L586-I627 HydrophobicContact CD2-CG2 4.35Å; L590-I627 HydrophobicContact CD1-CD1 4.29Å; L590-I627 HydrophobicContact CD2-CD1 4.27Å; L614-I627 HydrophobicContact CD1-CG2 3.87Å; L623-I627 HydrophobicContact CD1-CD1 3.99Å; L623-I627 HydrophobicContact CD1-CG1 4.09Å; L623-I627 HydrophobicContact CD2-CD1 4.35Å; L623-I627 HydrophobicContact CG-CD1 3.66Å; L623-I627 HydrophobicContact CG-CG1 4.28Å; L623-I627 VanDerWaalsContact O-CG1 3.32Å; L623-I627 WeakPolarHBondContact O-CG1 3.41Å; L623-I627 PolarHBondContact O-N 3.25Å; P624-I627 PolarHBondContact O-N 3.08Å; I627-Y630 PolarHBondContact O-N 3.08Å; I627-R631 HydrophobicContact CG2-CG 4.23Å; I627-R631 VanDerWaalsContact O-CB 3.32Å; I627-R631 WeakPolarHBondContact O-CB 3.33Å; I627-R631 WeakPolarHBondContact O-CG 3.5Å; I627-R631 PolarHBondContact O-N 3.04Å
628L92.6Very high93.1Very high38 Ų3853.8 Ų53.820%0.19928%0.283CS..Hα-helixtrans-60.2-46.8177-79.4170.8000111.3E611 L614 E615 A618 P624 K625 R631 G632E611-L628 HydrophobicContact CG-CD2 3.93Å; L614-L628 HydrophobicContact CB-CD1 4.17Å; L614-L628 HydrophobicContact CB-CD2 3.71Å; L614-L628 HydrophobicContact CB-CG 3.79Å; L614-L628 HydrophobicContact CD1-CD2 4.35Å; E615-L628 HydrophobicContact CB-CD1 4.32Å; E615-L628 HydrophobicContact CG-CD1 3.78Å; E615-L628 HydrophobicContact CG-CD2 4.23Å; A618-L628 HydrophobicContact CB-CD1 4.01Å; P624-L628 WeakPolarHBondContact O-CG 3.21Å; P624-L628 PolarHBondContact O-N 3.47Å; K625-L628 PolarHBondContact O-N 3.43Å; L628-R631 PolarHBondContact O-N 3.29Å; L628-G632 PolarHBondContact O-N 2.77Å
629E93.9Very high93.1Very high76 Ų7655.2 Ų55.236%0.35529%0.289SS..Hα-helixtrans-60.5-50.1177.2-166.8-178.6164.200110.8R562 L566 K625 V626 R631 G632 L633R562-E629 IonicContact CZ-OE1 2.83Å; R562-E629 IonicContact NH2-OE1 3.43Å; R562-E629 PolarHBondContact NH2-OE1 2.8Å; L566-E629 HydrophobicContact CD1-CB 4.2Å; L566-E629 HydrophobicContact CD1-CG 3.77Å; L566-E629 HydrophobicContact CD2-CB 4.4Å; L566-E629 HydrophobicContact CD2-CG 4.24Å; K625-E629 PolarHBondContact O-N 3.27Å; K625-E629 VanDerWaalsContact O-N 3.16Å; V626-E629 PolarHBondContact O-N 2.85Å; E629-R631 PolarHBondContact O-N 3.26Å; E629-G632 PolarHBondContact O-N 3.16Å; E629-L633 WeakPolarHBondContact O-CG 3.35Å; E629-L633 PolarHBondContact O-N 3.13Å
630Y95.7Very high93.4Very high30 Ų3049.3 Ų49.312%0.11826%0.258CS..Hα-helixtrans-57.6-49177.6179.5-85000111.9L563 L566 E567 L580 V626 I627 G632 L633 A634L563-Y630 HydrophobicContact CB-CD2 4.5Å; L563-Y630 HydrophobicContact CB-CE2 4.14Å; L563-Y630 HydrophobicContact CD2-CD1 4.42Å; L563-Y630 HydrophobicContact CD2-CD2 3.5Å; L563-Y630 VanDerWaalsContact CD2-CD2 3.5Å; L563-Y630 HydrophobicContact CD2-CE1 4.48Å; L563-Y630 HydrophobicContact CD2-CE2 3.6Å; L563-Y630 HydrophobicContact CD2-CG 3.95Å; L563-Y630 WeakPolarHBondContact CD2-O 3.37Å; L563-Y630 HydrophobicContact CG-CE2 4.48Å; L566-Y630 HydrophobicContact CB-CD2 4.05Å; E567-Y630 HydrophobicContact CB-CE2 4.02Å; L580-Y630 HydrophobicContact CB-CD1 3.63Å; L580-Y630 HydrophobicContact CB-CE1 3.55Å; L580-Y630 HydrophobicContact CB-CG 4.23Å; L580-Y630 HydrophobicContact CD2-CD1 3.75Å; L580-Y630 HydrophobicContact CD2-CD2 3.57Å; L580-Y630 HydrophobicContact CD2-CE1 4.16Å; L580-Y630 HydrophobicContact CD2-CE2 3.98Å; L580-Y630 HydrophobicContact CD2-CG 3.44Å; L580-Y630 VanDerWaalsContact CD2-CG 3.44Å; L580-Y630 HydrophobicContact CG-CD1 4.38Å; V626-Y630 WeakPolarHBondContact O-CB 3.5Å; V626-Y630 PolarHBondContact O-N 3.06Å; I627-Y630 PolarHBondContact O-N 3.08Å; Y630-G632 VanDerWaalsContact C-N 3.32Å; Y630-G632 PolarHBondContact O-N 3.31Å; Y630-L633 PolarHBondContact O-N 2.86Å; Y630-A634 HydrophobicContact CD1-CB 4.41Å; Y630-A634 HydrophobicContact CE1-CB 4.19Å; Y630-A634 WeakPolarHBondContact O-CB 3.39Å; Y630-A634 PolarHBondContact O-N 3.49Å
631R93.1Very high93.7Very high61 Ų6143.4 Ų43.423%0.2323%0.226CC..Hα-helixtrans-62.7-39.1179.4-77.5178.9165.6-163.3-12.9112T583 T609 I627 L628 E629 K635T583-R631 PolarHBondContact OG1-NH2 3.33Å; T609-R631 PolarHBondContact O-NH1 3.37Å; I627-R631 HydrophobicContact CG2-CG 4.23Å; I627-R631 VanDerWaalsContact O-CB 3.32Å; I627-R631 WeakPolarHBondContact O-CB 3.33Å; I627-R631 WeakPolarHBondContact O-CG 3.5Å; I627-R631 PolarHBondContact O-N 3.04Å; L628-R631 PolarHBondContact O-N 3.29Å; E629-R631 PolarHBondContact O-N 3.26Å; R631-K635 VanDerWaalsContact O-CB 3.27Å; R631-K635 WeakPolarHBondContact O-CB 3.38Å; R631-K635 PolarHBondContact O-N 3.16Å
632G91.8Very high93.8Very high36 Ų3642.1 Ų42.137%0.37123%0.225SC..Hα-helixtrans-57.7-56.9173.400000111.3L628 E629 Y630 A634 K635 L636L628-G632 PolarHBondContact O-N 2.77Å; E629-G632 PolarHBondContact O-N 3.16Å; Y630-G632 VanDerWaalsContact C-N 3.32Å; Y630-G632 PolarHBondContact O-N 3.31Å; G632-A634 PolarHBondContact O-N 2.83Å; G632-K635 PolarHBondContact O-N 3.17Å; G632-L636 WeakPolarHBondContact O-CG 3.32Å; G632-L636 PolarHBondContact O-N 3.41Å
633L94.5Very high93.9Very high9 Ų942.5 Ų42.55%0.04722%0.218CC..Hα-helixtrans-63.6-41-179.8-60.2-172.6000112.8L559 R562 L563 L566 E629 Y630 K635 L636 K637 E685L559-L633 HydrophobicContact CD2-CB 4.26Å; L559-L633 HydrophobicContact CD2-CD1 4.42Å; L559-L633 HydrophobicContact CD2-CD2 3.79Å; L559-L633 HydrophobicContact CD2-CG 4.35Å; R562-L633 HydrophobicContact CB-CD1 3.83Å; L563-L633 HydrophobicContact CD2-CB 3.82Å; L563-L633 HydrophobicContact CG-CB 4.21Å; L566-L633 HydrophobicContact CD1-CD1 3.66Å; E629-L633 WeakPolarHBondContact O-CG 3.35Å; E629-L633 PolarHBondContact O-N 3.13Å; Y630-L633 PolarHBondContact O-N 2.86Å; L633-K635 VanDerWaalsContact C-N 3.32Å; L633-K635 PolarHBondContact O-N 3.46Å; L633-L636 HydrophobicContact CD2-CD1 4.43Å; L633-L636 PolarHBondContact O-N 2.67Å; L633-K637 WeakPolarHBondContact O-CB 3.38Å; L633-K637 PolarHBondContact O-N 2.86Å; L633-E685 HydrophobicContact CD2-CB 4.49Å; L633-E685 HydrophobicContact CD2-CG 3.88Å
634A94.4Very high93.9Very high27 Ų2742.5 Ų42.522%0.22322%0.218CC..Hα-helixtrans-64.2-39.4179.600000111.3L563 Y630 G632 S638L563-A634 HydrophobicContact CD1-CB 4.45Å; L563-A634 HydrophobicContact CD2-CB 3.9Å; Y630-A634 HydrophobicContact CD1-CB 4.41Å; Y630-A634 HydrophobicContact CE1-CB 4.19Å; Y630-A634 WeakPolarHBondContact O-CB 3.39Å; Y630-A634 PolarHBondContact O-N 3.49Å; G632-A634 PolarHBondContact O-N 2.83Å; A634-S638 WeakPolarHBondContact O-CB 3.27Å; A634-S638 PolarHBondContact O-N 2.74Å; A634-S638 PolarHBondContact O-OG 2.89Å
635K91.8Very high94Very high125 Ų12544.3 Ų44.354%0.54323%0.23SC..Hα-helixtrans-64.2-46.1172.4-175.3-178178.8-174.40111R631 G632 L633 K637 S638 T639R631-K635 VanDerWaalsContact O-CB 3.27Å; R631-K635 WeakPolarHBondContact O-CB 3.38Å; R631-K635 PolarHBondContact O-N 3.16Å; G632-K635 PolarHBondContact O-N 3.17Å; L633-K635 VanDerWaalsContact C-N 3.32Å; L633-K635 PolarHBondContact O-N 3.46Å; K635-K637 VanDerWaalsContact C-N 3.29Å; K635-K637 PolarHBondContact O-N 2.73Å; K635-S638 PolarHBondContact O-OG 3.49Å; K635-T639 WeakPolarHBondContact O-CB 3.49Å; K635-T639 PolarHBondContact O-N 3.48Å; K635-T639 PolarHBondContact O-OG1 3.41Å
636L92.8Very high94.1Very high10 Ų1044.9 Ų44.95%0.05224%0.239CC..Hα-helixtrans-57.6-45.2177.8-68.9179.2000111.5L559 G632 L633 Y640 T641 P680 E685 I689L559-L636 HydrophobicContact CD1-CB 4.29Å; G632-L636 WeakPolarHBondContact O-CG 3.32Å; G632-L636 PolarHBondContact O-N 3.41Å; L633-L636 HydrophobicContact CD2-CD1 4.43Å; L633-L636 PolarHBondContact O-N 2.67Å; L636-Y640 HydrophobicContact CD2-CD2 4.03Å; L636-Y640 HydrophobicContact CD2-CE2 4.05Å; L636-Y640 WeakPolarHBondContact O-CB 3.43Å; L636-Y640 PolarHBondContact O-N 3.44Å; L636-T641 PolarHBondContact O-N 2.88Å; L636-P680 HydrophobicContact CD2-CG 3.82Å; L636-E685 HydrophobicContact CD1-CB 3.48Å; L636-E685 VanDerWaalsContact CD1-CB 3.48Å; L636-I689 HydrophobicContact CB-CD1 4.2Å; L636-I689 HydrophobicContact CD2-CD1 3.77Å; L636-I689 HydrophobicContact CG-CD1 4.42Å
637K94.5Very high94.1Very high37 Ų3746.9 Ų46.916%0.16125%0.248CC..Iπ-helixtrans-63.9-57.1-179.6-169.3-174.4-172.8-56.80112.3S556 L559 T560 L563 L633 K635 T639 T641 D642S556-K637 VanDerWaalsContact OG-CE 3.29Å; S556-K637 WeakPolarHBondContact OG-CE 3.33Å; S556-K637 PolarHBondContact OG-NZ 3Å; S556-K637 VanDerWaalsContact OG-NZ 3.14Å; L559-K637 HydrophobicContact CB-CB 4.43Å; L559-K637 HydrophobicContact CB-CD 4.49Å; L559-K637 HydrophobicContact CD1-CB 4.04Å; T560-K637 WeakPolarHBondContact OG1-CE 3.48Å; L563-K637 HydrophobicContact CD1-CB 4.5Å; L563-K637 HydrophobicContact CD1-CD 3.87Å; L633-K637 WeakPolarHBondContact O-CB 3.38Å; L633-K637 PolarHBondContact O-N 2.86Å; K635-K637 VanDerWaalsContact C-N 3.29Å; K635-K637 PolarHBondContact O-N 2.73Å; K637-T639 PolarHBondContact O-N 3.46Å; K637-T641 VanDerWaalsContact CA-OG1 3.26Å; K637-T641 WeakPolarHBondContact CA-OG1 3.27Å; K637-T641 PolarHBondContact O-N 3Å; K637-T641 PolarHBondContact O-OG1 3.36Å; K637-D642 IonicContact NZ-OD1 2.85Å; K637-D642 PolarHBondContact NZ-OD1 3.25Å; K637-D642 IonicContact NZ-OD2 3.81Å; K637-D642 PolarHBondContact NZ-OD2 3.38Å; K637-D642 WeakPolarHBondContact O-CB 3.32Å; K637-D642 PolarHBondContact O-N 3.33Å
638S92.8Very high94.2Very high71 Ų7149 Ų4950%0.49726%0.259SS..Iπ-helixtrans-68.4-33-175.456.90000113.8A634 K635A634-S638 WeakPolarHBondContact O-CB 3.27Å; A634-S638 PolarHBondContact O-N 2.74Å; A634-S638 PolarHBondContact O-OG 2.89Å; K635-S638 PolarHBondContact O-OG 3.49Å
639T90.8Very high94.4Very high55 Ų5547.8 Ų47.834%0.33725%0.253SS..Iπ-helixtrans-87.6-35.7-175.6-51.30000112.2K635 K637 K643K635-T639 WeakPolarHBondContact O-CB 3.49Å; K635-T639 PolarHBondContact O-N 3.48Å; K635-T639 PolarHBondContact O-OG1 3.41Å; K637-T639 PolarHBondContact O-N 3.46Å; T639-K643 WeakPolarHBondContact O-CB 3.43Å
640Y93.9Very high94.5Very high19 Ų1950.3 Ų50.38%0.07528%0.276CS..Iπ-helixtrans-119.3-64.7-171.4-51.1-71.8000112.9L636 D642 K643 L644 N678 I679 P680 I689L636-Y640 HydrophobicContact CD2-CD2 4.03Å; L636-Y640 HydrophobicContact CD2-CE2 4.05Å; L636-Y640 WeakPolarHBondContact O-CB 3.43Å; L636-Y640 PolarHBondContact O-N 3.44Å; Y640-D642 VanDerWaalsContact C-N 3.35Å; Y640-D642 PolarHBondContact O-N 3.47Å; Y640-K643 PolarHBondContact O-N 3.29Å; Y640-L644 HydrophobicContact CD1-CD1 4.35Å; Y640-L644 VanDerWaalsContact O-CB 3.28Å; Y640-L644 WeakPolarHBondContact O-CB 3.4Å; Y640-L644 WeakPolarHBondContact O-CG 3.48Å; Y640-L644 PolarHBondContact O-N 2.84Å; Y640-N678 PolarHBondContact OH-O 2.94Å; Y640-I679 HydrophobicContact CD1-CG1 4.26Å; Y640-I679 HydrophobicContact CE1-CG1 3.93Å; Y640-P680 HydrophobicContact CE2-CG 4.24Å; Y640-I689 HydrophobicContact CD2-CD1 3.81Å; Y640-I689 HydrophobicContact CG-CD1 4.09Å; Y640-I689 HydrophobicContact CG-CG2 4.37Å
641T94.7Very high94.4Very high3 Ų355.9 Ų55.92%0.01830%0.301CS..Iπ-helixtrans-65.5-36.9-168.166.50000113L552 H555 S556 L559 L636 K637 P645 I689L552-T641 HydrophobicContact CD2-CG2 4.46Å; H555-T641 HydrophobicContact CB-CG2 4.33Å; S556-T641 WeakPolarHBondContact CB-OG1 3.38Å; L559-T641 HydrophobicContact CD1-CG2 3.92Å; L636-T641 PolarHBondContact O-N 2.88Å; K637-T641 VanDerWaalsContact CA-OG1 3.26Å; K637-T641 WeakPolarHBondContact CA-OG1 3.27Å; K637-T641 PolarHBondContact O-N 3Å; K637-T641 PolarHBondContact O-OG1 3.36Å; T641-P645 VanDerWaalsContact O-CD 3.24Å; T641-P645 WeakPolarHBondContact O-CD 3.37Å; T641-P645 WeakPolarHBondContact O-CG 3.28Å; T641-I689 HydrophobicContact CG2-CD1 4.47Å; T641-I689 HydrophobicContact CG2-CG1 4.15Å
642D94.8Very high94.5Very high61 Ų6155.9 Ų55.933%0.32631%0.307SS..THydrogen-bonded Turntrans-83.2-38.6176.9-68.2-6.9000112S556 K637 Y640 L646S556-D642 PolarHBondContact OG-OD1 3.37Å; K637-D642 IonicContact NZ-OD1 2.85Å; K637-D642 PolarHBondContact NZ-OD1 3.25Å; K637-D642 IonicContact NZ-OD2 3.81Å; K637-D642 PolarHBondContact NZ-OD2 3.38Å; K637-D642 WeakPolarHBondContact O-CB 3.32Å; K637-D642 PolarHBondContact O-N 3.33Å; Y640-D642 VanDerWaalsContact C-N 3.35Å; Y640-D642 PolarHBondContact O-N 3.47Å; D642-L646 WeakPolarHBondContact O-CG 3.31Å
643K95.3Very high94.7Very high92 Ų9256.2 Ų56.240%0.431%0.311SS..Hα-helixtrans-82.6-45.1-169.5-167.4179.9178.9-175.20112.7T639 Y640 L646 M647T639-K643 WeakPolarHBondContact O-CB 3.43Å; Y640-K643 PolarHBondContact O-N 3.29Å; K643-L646 WeakPolarHBondContact O-CB 3.49Å; K643-L646 PolarHBondContact O-N 3.05Å; K643-M647 HydrophobicContact CD-SD 4.15Å; K643-M647 HydrophobicContact CG-CG 4.31Å; K643-M647 HydrophobicContact CG-SD 3.91Å; K643-M647 WeakPolarHBondContact O-CG 3.49Å; K643-M647 PolarHBondContact O-N 2.77Å
644L95.9Very high94.9Very high1 Ų157.1 Ų57.11%0.00531%0.314CS..Hα-helixtrans-57.8-42.3-174.9-70.4172.6000113.5I547 L552 Y640 L646 M647 P674 I689 F693I547-L644 HydrophobicContact CD1-CB 4.26Å; I547-L644 HydrophobicContact CD1-CD1 4.28Å; I547-L644 HydrophobicContact CD1-CD2 4.35Å; L552-L644 HydrophobicContact CD1-CB 3.8Å; L552-L644 HydrophobicContact CD1-CD1 4.23Å; Y640-L644 HydrophobicContact CD1-CD1 4.35Å; Y640-L644 VanDerWaalsContact O-CB 3.28Å; Y640-L644 WeakPolarHBondContact O-CB 3.4Å; Y640-L644 WeakPolarHBondContact O-CG 3.48Å; Y640-L644 PolarHBondContact O-N 2.84Å; L644-L646 PolarHBondContact O-N 3.4Å; L644-M647 PolarHBondContact O-N 2.96Å; L644-P674 HydrophobicContact CD2-CB 3.82Å; L644-P674 HydrophobicContact CD2-CG 3.59Å; L644-I689 HydrophobicContact CD1-CG2 4.43Å; L644-F693 HydrophobicContact CD1-CE2 4.26Å; L644-F693 HydrophobicContact CD1-CZ 3.91Å
645P96.2Very high95.1Very high37 Ų3755.8 Ų55.824%0.2430%0.303CS..Hα-helixtrans-60.4-32.9176-24.936.1000113.4P549 L552 T641 M647 I648P549-P645 HydrophobicContact CB-CB 4.29Å; L552-P645 HydrophobicContact CB-CG 4.03Å; L552-P645 HydrophobicContact CD1-CG 3.9Å; T641-P645 VanDerWaalsContact O-CD 3.24Å; T641-P645 WeakPolarHBondContact O-CD 3.37Å; T641-P645 WeakPolarHBondContact O-CG 3.28Å; P645-M647 PolarHBondContact O-N 3.46Å; P645-I648 WeakPolarHBondContact O-CG1 3.27Å; P645-I648 PolarHBondContact O-N 3.07Å
646L95.8Very high95.4Very high149 Ų14950.7 Ų50.778%0.7828%0.281SS*.Hα-helixtrans-74.2-15.4177.2-57.4176.1000112.9D642 K643 L644D642-L646 WeakPolarHBondContact O-CG 3.31Å; K643-L646 WeakPolarHBondContact O-CB 3.49Å; K643-L646 PolarHBondContact O-N 3.05Å; L644-L646 PolarHBondContact O-N 3.4Å
647M95.9Very high95.6Very high48 Ų4850.4 Ų50.424%0.23628%0.28CS..THydrogen-bonded Turntrans-96.63.8178.8-59.2-173.677.200112.8K643 L644 P645 N649 V655 D673 P674K643-M647 HydrophobicContact CD-SD 4.15Å; K643-M647 HydrophobicContact CG-CG 4.31Å; K643-M647 HydrophobicContact CG-SD 3.91Å; K643-M647 WeakPolarHBondContact O-CG 3.49Å; K643-M647 PolarHBondContact O-N 2.77Å; L644-M647 PolarHBondContact O-N 2.96Å; P645-M647 PolarHBondContact O-N 3.46Å; M647-N649 PolarHBondContact O-N 3.06Å; M647-V655 HydrophobicContact CB-CG1 4.29Å; M647-D673 HydrophobicContact CE-CB 4.12Å; M647-D673 VanDerWaalsContact CE-O 3.31Å; M647-D673 WeakPolarHBondContact CE-O 3.19Å; M647-P674 HydrophobicContact CE-CB 4.17Å; M647-P674 HydrophobicContact CE-CG 4.38Å; M647-P674 HydrophobicContact SD-CB 3.81Å; M647-P674 HydrophobicContact SD-CG 4.19Å
648I97.3Very high95.7Very high44 Ų4450.2 Ų50.223%0.22628%0.283CS..EExtended strand (participates in β ladder)trans-68.2114.6172-63173.1000107.7P549 P645 P650 V655P549-I648 HydrophobicContact CB-CD1 4.14Å; P549-I648 HydrophobicContact CG-CD1 4.4Å; P645-I648 WeakPolarHBondContact O-CG1 3.27Å; P645-I648 PolarHBondContact O-N 3.07Å; I648-P650 WeakPolarHBondContact O-CD 3.34Å; I648-V655 HydrophobicContact CB-CG2 4.48Å; I648-V655 HydrophobicContact CG1-CG2 3.75Å
649N96.7Very high95.9Very high13 Ų1346.9 Ų46.97%0.0726%0.26CS..EExtended strand (participates in β ladder)trans-66.5124.9179.1-178.9-67.3000109.7M647 K651 T652 G653 R654M647-N649 PolarHBondContact O-N 3.06Å; N649-K651 PolarHBondContact O-N 3.29Å; N649-K651 WeakPolarHBondContact OD1-CA 3.47Å; N649-K651 VanDerWaalsContact OD1-CB 3.26Å; N649-K651 WeakPolarHBondContact OD1-CB 3.38Å; N649-K651 PolarHBondContact OD1-N 3.38Å; N649-T652 WeakPolarHBondContact CB-OG1 3.49Å; N649-T652 PolarHBondContact O-N 3.07Å; N649-T652 PolarHBondContact OD1-N 3.46Å; N649-G653 WeakPolarHBondContact O-CA 3.29Å; N649-G653 PolarHBondContact O-N 3.46Å; N649-R654 WeakPolarHBondContact CB-O 3.43Å; N649-R654 PolarHBondContact N-O 2.76Å
650P95.1Very high96.3Very high129 Ų12946.8 Ų46.884%0.83826%0.256SS*.THydrogen-bonded Turntrans-63.2-25.8-176.5-24.934.3000114.6I648I648-P650 WeakPolarHBondContact O-CD 3.34Å
651K93.6Very high96.4Very high147 Ų14746.3 Ų46.364%0.63925%0.254SS*.THydrogen-bonded Turntrans-77.4-40.3-179.4-58.1178.2-178.5174.80111.4S365 N649S365-K651 PolarHBondContact O-NZ 3.11Å; N649-K651 PolarHBondContact O-N 3.29Å; N649-K651 WeakPolarHBondContact OD1-CA 3.47Å; N649-K651 VanDerWaalsContact OD1-CB 3.26Å; N649-K651 WeakPolarHBondContact OD1-CB 3.38Å; N649-K651 PolarHBondContact OD1-N 3.38Å
652T95.9Very high96.5Very high60 Ų6046.7 Ų46.737%0.36826%0.258SS..THydrogen-bonded Turntrans-100.9-20.8-173.466.30000113.5I364 N649 R654 H656I364-T652 HydrophobicContact CG2-CG2 3.85Å; N649-T652 WeakPolarHBondContact CB-OG1 3.49Å; N649-T652 PolarHBondContact O-N 3.07Å; N649-T652 PolarHBondContact OD1-N 3.46Å; T652-R654 PolarHBondContact O-N 2.87Å; T652-R654 PolarHBondContact OG1-N 3.06Å; T652-H656 PolarHBondContact OG1-NE2 3.09Å
653G96.9Very high96.4Very high44 Ų4448.3 Ų48.345%0.45427%0.27SS..THydrogen-bonded Turntrans6820.5-171.200000113.5N649N649-G653 WeakPolarHBondContact O-CA 3.29Å; N649-G653 PolarHBondContact O-N 3.46Å
654R98Very high96.4Very high27 Ų2745.6 Ų45.610%0.10226%0.261CS..EExtended strand (participates in β ladder)trans-130.8159.8-174.1-61.7179.574.590.83.1111N543 G544 V545 N649 T652 H656 E887N543-R654 WeakPolarHBondContact O-CD 3.34Å; N543-R654 PolarHBondContact O-NE 3.3Å; G544-R654 PolarHBondContact O-NE 3.05Å; G544-R654 PolarHBondContact O-NH2 3.13Å; V545-R654 WeakPolarHBondContact O-CA 3.25Å; V545-R654 WeakPolarHBondContact O-CB 3.42Å; N649-R654 WeakPolarHBondContact CB-O 3.43Å; N649-R654 PolarHBondContact N-O 2.76Å; T652-R654 PolarHBondContact O-N 2.87Å; T652-R654 PolarHBondContact OG1-N 3.06Å; R654-H656 PolarHBondContact O-CD2 3.1Å; R654-E887 IonicContact CZ-OE1 2.74Å; R654-E887 IonicContact CZ-OE2 2.82Å; R654-E887 IonicContact NH1-OE1 3.41Å; R654-E887 PolarHBondContact NH1-OE1 2.82Å; R654-E887 IonicContact NH1-OE2 3.22Å; R654-E887 PolarHBondContact NH1-OE2 3.05Å; R654-E887 VanDerWaalsContact NH2-CD 3.25Å; R654-E887 IonicContact NH2-OE1 2.7Å; R654-E887 PolarHBondContact NH2-OE1 3.14Å; R654-E887 IonicContact NH2-OE2 2.91Å; R654-E887 PolarHBondContact NH2-OE2 3.14Å
655V98Very high96.3Very high0 Ų047.6 Ų47.60%028%0.277CS..EExtended strand (participates in β ladder)trans-94.3133.7170.9177.10000108.7G544 V545 I547 M647 I648 P674G544-V655 CarbonylContact C-O 3.53Å; G544-V655 VanDerWaalsContact CA-O 3.23Å; G544-V655 WeakPolarHBondContact CA-O 3.5Å; V545-V655 HydrophobicContact CG2-CB 3.91Å; V545-V655 HydrophobicContact CG2-CG1 4.48Å; V545-V655 PolarHBondContact N-O 2.84Å; V545-V655 PolarHBondContact O-N 2.92Å; I547-V655 HydrophobicContact CD1-CB 4.02Å; I547-V655 HydrophobicContact CD1-CG2 3.63Å; I547-V655 HydrophobicContact CG1-CG2 4.23Å; M647-V655 HydrophobicContact CB-CG1 4.29Å; I648-V655 HydrophobicContact CB-CG2 4.48Å; I648-V655 HydrophobicContact CG1-CG2 3.75Å; V655-P674 HydrophobicContact CG1-CG 3.61Å
656H97.7Very high96.2Very high17 Ų1746.5 Ų46.58%0.07927%0.27CS..  trans-116131.7-179.7-60.7-89.9000108.3I364 E541 R542 T652 R654 P674I364-H656 HydrophobicContact CG1-CB 4.1Å; E541-H656 PolarHBondContact O-ND1 3.49Å; R542-H656 PolarHBondContact O-CE1 3.44Å; T652-H656 PolarHBondContact OG1-NE2 3.09Å; R654-H656 PolarHBondContact O-CD2 3.1Å; H656-P674 WeakPolarHBondContact O-CD 3.34Å
657T97.1Very high96.2Very high5 Ų539.4 Ų39.43%0.03123%0.233CC..  trans-103.9160.2175.4-173.60000109.4E541 Y659 S671 T672 P674 L676E541-T657 VanDerWaalsContact CG-O 3.23Å; E541-T657 WeakPolarHBondContact CG-O 3.42Å; T657-Y659 HydrophobicContact CG2-CD2 3.91Å; T657-Y659 HydrophobicContact CG2-CE1 4.43Å; T657-Y659 HydrophobicContact CG2-CE2 3.32Å; T657-S671 WeakPolarHBondContact OG1-CB 3.22Å; T657-T672 PolarHBondContact OG1-O 3.35Å; T657-T672 VanDerWaalsContact OG1-O 3.14Å; T657-P674 WeakPolarHBondContact CB-O 3.4Å; T657-P674 PolarHBondContact OG1-O 3.12Å; T657-L676 HydrophobicContact CG2-CD1 3.74Å; T657-L676 HydrophobicContact CG2-CG 4.27Å
658S97.2Very high96.2Very high33 Ų3342 Ų4223%0.23124%0.24CC..EExtended strand (participates in β ladder)trans-109.1116.4169.8-57.80000110.4E541 H660 S671 T672E541-S658 WeakPolarHBondContact OE1-CA 3.13Å; S658-H660 PolarHBondContact O-CD2 3.43Å; S658-H660 PolarHBondContact O-NE2 2.99Å; S658-S671 CarbonylContact O-C 3.59Å; S658-S671 VanDerWaalsContact O-CA 3.26Å; S658-S671 WeakPolarHBondContact O-CA 3.33Å; S658-T672 PolarHBondContact N-O 3.11Å; S658-T672 PolarHBondContact O-N 2.83Å
659Y98.1Very high96.2Very high0 Ų040.4 Ų40.40%023%0.232CC..EExtended strand (participates in β ladder)trans-89125173.4-68.8-79000111.4K422 L537 I540 E541 T657 L669 S670 Q677 M878 Q879K422-Y659 PolarHBondContact NZ-O 3.17Å; L537-Y659 HydrophobicContact CD2-CD2 4.18Å; L537-Y659 HydrophobicContact CD2-CG 4.01Å; I540-Y659 HydrophobicContact CG2-CE2 3.79Å; E541-Y659 HydrophobicContact CG-CD2 3.82Å; E541-Y659 PolarHBondContact OE1-N 2.96Å; T657-Y659 HydrophobicContact CG2-CD2 3.91Å; T657-Y659 HydrophobicContact CG2-CE1 4.43Å; T657-Y659 HydrophobicContact CG2-CE2 3.32Å; Y659-L669 HydrophobicContact CD1-CB 4.44Å; Y659-L669 HydrophobicContact CD1-CD1 4.42Å; Y659-S670 CarbonylContact C-O 3.58Å; Y659-S670 WeakPolarHBondContact CA-O 3.24Å; Y659-Q677 HydrophobicContact CE1-CG 4.43Å; Y659-M878 WeakPolarHBondContact OH-CA 3.22Å; Y659-Q879 HydrophobicContact CE1-CB 4.25Å; Y659-Q879 WeakPolarHBondContact CE1-O 3.31Å; Y659-Q879 PolarHBondContact OH-N 3.3Å
660H97.4Very high96.2Very high54 Ų5440.8 Ų40.825%0.2524%0.235CC..EExtended strand (participates in β ladder)trans-107.6123179.8-50.5-80.4000110.6S658 V663 S670 T672S658-H660 PolarHBondContact O-CD2 3.43Å; S658-H660 PolarHBondContact O-NE2 2.99Å; H660-V663 HydrophobicContact CB-CB 4.26Å; H660-V663 HydrophobicContact CB-CG2 3.5Å; H660-S670 PolarHBondContact N-O 3.26Å; H660-S670 PolarHBondContact O-N 3.42Å; H660-T672 PolarHBondContact NE2-OG1 3.34Å
661Q97.8Very high96.3Very high8 Ų834.6 Ų34.64%0.03720%0.195CC..SBendtrans-76.6-37.6175.4-73.1172.4-109.900112.2L444 Y447 E530 L533 L537 L669L444-Q661 HydrophobicContact CD2-CB 3.63Å; L444-Q661 HydrophobicContact CD2-CG 4.44Å; Y447-Q661 VanDerWaalsContact CE1-O 3.32Å; Y447-Q661 WeakPolarHBondContact CE1-O 3.24Å; Y447-Q661 PolarHBondContact OH-O 3.1Å; E530-Q661 PolarHBondContact O-NE2 3.45Å; E530-Q661 PolarHBondContact OE2-NE2 3.03Å; L533-Q661 HydrophobicContact CD2-CG 4.19Å; L537-Q661 HydrophobicContact CD1-CG 3.55Å; Q661-L669 HydrophobicContact CG-CD2 3.8Å
662A96.3Very high96.5Very high12 Ų1230 Ų3010%0.09918%0.179CC..SBendtrans-104.434.3-166.100000115M443 L444 Y447M443-A662 HydrophobicContact CE-CB 4.41Å; M443-A662 HydrophobicContact CG-CB 3.81Å; M443-A662 HydrophobicContact SD-CB 4.1Å; L444-A662 HydrophobicContact CD2-CB 4.48Å; Y447-A662 HydrophobicContact CD1-CB 4.15Å; Y447-A662 VanDerWaalsContact CD2-CA 3.5Å; Y447-A662 HydrophobicContact CD2-CB 3.77Å; Y447-A662 HydrophobicContact CE2-CB 4.43Å; Y447-A662 HydrophobicContact CG-CB 3.61Å
663V93.2Very high96.3Very high95 Ų9531.7 Ų31.758%0.57619%0.187SC*.SBendtrans-109.7-44.2-177.6170.50000112.9H660 S670H660-V663 HydrophobicContact CB-CB 4.26Å; H660-V663 HydrophobicContact CB-CG2 3.5Å; V663-S670 WeakPolarHBondContact CB-OG 3.37Å
664T94.5Very high96.2Very high35 Ų3530.1 Ų30.122%0.21517%0.168CC..SBendtrans-86.3147.5-176.674.50000110.3Y447 T666 R668Y447-T664 WeakPolarHBondContact CE2-O 3.45Å; Y447-T664 VanDerWaalsContact CZ-O 3.28Å; Y447-T664 PolarHBondContact OH-O 3.28Å; T664-T666 PolarHBondContact O-N 2.98Å; T664-R668 HydrophobicContact CG2-CB 4.08Å; T664-R668 VanDerWaalsContact CG2-O 3.23Å; T664-R668 WeakPolarHBondContact CG2-O 3.39Å; T664-R668 WeakPolarHBondContact OG1-CA 3Å; T664-R668 WeakPolarHBondContact OG1-CB 3.32Å; T664-R668 PolarHBondContact OG1-N 3.19Å; T664-R668 PolarHBondContact OG1-O 2.86Å
665A92.9Very high96.1Very high43 Ų4331.5 Ų31.536%0.35518%0.177SC..THydrogen-bonded Turntrans-65.5-28.6177.700000112.9S451 V452 L823S451-A665 PolarHBondContact OG-O 3.48Å; V452-A665 HydrophobicContact CG1-CB 3.63Å; A665-L823 WeakPolarHBondContact O-CD2 3.45Å
666T94.4Very high96Very high14 Ų1431.6 Ų31.69%0.08618%0.178CC..THydrogen-bonded Turntrans-948-17069.30000114.5T664 R668 A846 Q849 G850T664-T666 PolarHBondContact O-N 2.98Å; T666-R668 VanDerWaalsContact C-N 3.3Å; T666-R668 PolarHBondContact O-N 3.31Å; T666-R668 PolarHBondContact OG1-NE 3.39Å; T666-R668 VanDerWaalsContact OG1-NE 3.12Å; T666-A846 HydrophobicContact CG2-CB 4.32Å; T666-Q849 HydrophobicContact CG2-CB 4.38Å; T666-G850 WeakPolarHBondContact O-CA 3.42Å
667G95.7Very high95.9Very high0 Ų031.3 Ų31.30%018%0.177CC..SBendtrans83.2-2.7-175.500000115.1Y447 K857Y447-G667 WeakPolarHBondContact OH-CA 3.35Å; Y447-G667 PolarHBondContact OH-N 3.18Å; G667-K857 WeakPolarHBondContact O-CE 3.28Å; G667-K857 PolarHBondContact O-NZ 3.26Å
668R96.4Very high95.8Very high102 Ų10235.4 Ų35.439%0.38520%0.198SC..  trans-64.4138175.9-78.3-176.2-85-178.9-6.8110.5T664 T666 Q849 A853T664-R668 HydrophobicContact CG2-CB 4.08Å; T664-R668 VanDerWaalsContact CG2-O 3.23Å; T664-R668 WeakPolarHBondContact CG2-O 3.39Å; T664-R668 WeakPolarHBondContact OG1-CA 3Å; T664-R668 WeakPolarHBondContact OG1-CB 3.32Å; T664-R668 PolarHBondContact OG1-N 3.19Å; T664-R668 PolarHBondContact OG1-O 2.86Å; T666-R668 VanDerWaalsContact C-N 3.3Å; T666-R668 PolarHBondContact O-N 3.31Å; T666-R668 PolarHBondContact OG1-NE 3.39Å; T666-R668 VanDerWaalsContact OG1-NE 3.12Å; R668-Q849 VanDerWaalsContact NH2-CD 3.26Å; R668-A853 HydrophobicContact CB-CB 4.48Å; R668-A853 HydrophobicContact CG-CB 3.86Å
669L97.7Very high95.6Very high10 Ų1034.2 Ų34.25%0.05219%0.189CC..  trans-64.9136.6166.4-65.3176.3000109.1L533 L537 Y659 Q661 Q677 M860 Q879L533-L669 HydrophobicContact CD2-CD2 4.28Å; L537-L669 HydrophobicContact CD1-CD2 3.96Å; L537-L669 HydrophobicContact CD2-CD1 3.88Å; L537-L669 HydrophobicContact CD2-CD2 4.5Å; Y659-L669 HydrophobicContact CD1-CB 4.44Å; Y659-L669 HydrophobicContact CD1-CD1 4.42Å; Q661-L669 HydrophobicContact CG-CD2 3.8Å; L669-Q677 PolarHBondContact O-NE2 3.44Å; L669-Q677 PolarHBondContact O-OE1 3.19Å; L669-Q677 VanDerWaalsContact O-OE1 3.14Å; L669-M860 HydrophobicContact CD1-CE 4.11Å; L669-M860 HydrophobicContact CD1-SD 4.06Å; L669-Q879 HydrophobicContact CD1-CG 4.3Å
670S97.2Very high95.3Very high21 Ų2135.9 Ų35.915%0.14720%0.2CC..EExtended strand (participates in β ladder)trans-109.6150.5163.262.90000109.8Y659 H660 V663 Q677Y659-S670 CarbonylContact C-O 3.58Å; Y659-S670 WeakPolarHBondContact CA-O 3.24Å; H660-S670 PolarHBondContact N-O 3.26Å; H660-S670 PolarHBondContact O-N 3.42Å; V663-S670 WeakPolarHBondContact CB-OG 3.37Å; S670-Q677 VanDerWaalsContact C-OE1 3.29Å; S670-Q677 VanDerWaalsContact CA-OE1 3.25Å
671S97.1Very high94.9Very high0 Ų035.8 Ų35.80%020%0.204CC..EExtended strand (participates in β ladder)trans-117.7142.4176.154.60000112T657 S658 N675 L676 Q677T657-S671 WeakPolarHBondContact OG1-CB 3.22Å; S658-S671 CarbonylContact O-C 3.59Å; S658-S671 VanDerWaalsContact O-CA 3.26Å; S658-S671 WeakPolarHBondContact O-CA 3.33Å; S671-N675 WeakPolarHBondContact O-CA 3.29Å; S671-N675 WeakPolarHBondContact O-CB 3.23Å; S671-N675 PolarHBondContact O-ND2 3.18Å; S671-N675 WeakPolarHBondContact OG-CA 3.39Å; S671-N675 PolarHBondContact OG-OD1 2.98Å; S671-N675 VanDerWaalsContact OG-OD1 3.05Å; S671-L676 PolarHBondContact OG-N 3.28Å; S671-Q677 WeakPolarHBondContact OG-CB 3.34Å; S671-Q677 VanDerWaalsContact OG-CG 3.31Å; S671-Q677 WeakPolarHBondContact OG-CG 3.5Å; S671-Q677 PolarHBondContact OG-N 2.87Å; S671-Q677 PolarHBondContact OG-OE1 2.84Å
672T96.1Very high94.3Very high49 Ų4947 Ų4730%0.30125%0.246SC..EExtended strand (participates in β ladder)trans-133.7163.2171.869.30000111.1T657 S658 H660 P674T657-T672 PolarHBondContact OG1-O 3.35Å; T657-T672 VanDerWaalsContact OG1-O 3.14Å; S658-T672 PolarHBondContact N-O 3.11Å; S658-T672 PolarHBondContact O-N 2.83Å; H660-T672 PolarHBondContact NE2-OG1 3.34Å; T672-P674 CarbonylContact C-O 3.54Å; T672-P674 CarbonylContact O-C 3.59Å
673D92.9Very high93.8Very high97 Ų9750.3 Ų50.352%0.51926%0.261SS..SBendtrans49.157.2170.3-53.1-58.5000116.8M647M647-D673 HydrophobicContact CE-CB 4.12Å; M647-D673 VanDerWaalsContact CE-O 3.31Å; M647-D673 WeakPolarHBondContact CE-O 3.19Å
674P95.5Very high93.8Very high11 Ų1152.9 Ų52.97%0.07127%0.267CS..SBendcis-95.3163.6-0.834.4-31.9000112.5L644 M647 V655 H656 T657 T672 L676L644-P674 HydrophobicContact CD2-CB 3.82Å; L644-P674 HydrophobicContact CD2-CG 3.59Å; M647-P674 HydrophobicContact CE-CB 4.17Å; M647-P674 HydrophobicContact CE-CG 4.38Å; M647-P674 HydrophobicContact SD-CB 3.81Å; M647-P674 HydrophobicContact SD-CG 4.19Å; V655-P674 HydrophobicContact CG1-CG 3.61Å; H656-P674 WeakPolarHBondContact O-CD 3.34Å; T657-P674 WeakPolarHBondContact CB-O 3.4Å; T657-P674 PolarHBondContact OG1-O 3.12Å; T672-P674 CarbonylContact C-O 3.54Å; T672-P674 CarbonylContact O-C 3.59Å; P674-L676 HydrophobicContact CG-CD2 3.7Å; P674-L676 HydrophobicContact CG-CG 4.09Å; P674-L676 PolarHBondContact O-N 3.3Å
675N95.6Very high93.6Very high55 Ų5552.3 Ų52.329%0.29426%0.262SS..  trans-75.491.5170.8-174.2-40.5000110.3S671 Q677 N678S671-N675 WeakPolarHBondContact O-CA 3.29Å; S671-N675 WeakPolarHBondContact O-CB 3.23Å; S671-N675 PolarHBondContact O-ND2 3.18Å; S671-N675 WeakPolarHBondContact OG-CA 3.39Å; S671-N675 PolarHBondContact OG-OD1 2.98Å; S671-N675 VanDerWaalsContact OG-OD1 3.05Å; N675-Q677 VanDerWaalsContact C-N 3.29Å; N675-Q677 PolarHBondContact OD1-N 3.21Å; N675-N678 PolarHBondContact ND2-ND2 3.47Å; N675-N678 WeakPolarHBondContact OD1-CB 3.31Å; N675-N678 PolarHBondContact OD1-N 2.91Å; N675-N678 PolarHBondContact OD1-ND2 2.73Å
676L96Very high93.5Very high2 Ų250.2 Ų50.21%0.0125%0.245CC..G310 helixtrans-74.6-18.9179.6-65.6-175.6000113.1V545 T657 S671 P674 N678 I679 F693 M878V545-L676 HydrophobicContact CG1-CD1 4.14Å; V545-L676 HydrophobicContact CG2-CD1 3.94Å; T657-L676 HydrophobicContact CG2-CD1 3.74Å; T657-L676 HydrophobicContact CG2-CG 4.27Å; S671-L676 PolarHBondContact OG-N 3.28Å; P674-L676 HydrophobicContact CG-CD2 3.7Å; P674-L676 HydrophobicContact CG-CG 4.09Å; P674-L676 PolarHBondContact O-N 3.3Å; L676-N678 VanDerWaalsContact C-N 3.32Å; L676-N678 PolarHBondContact O-N 3.38Å; L676-I679 HydrophobicContact CB-CD1 4.4Å; L676-I679 HydrophobicContact CD2-CD1 3.72Å; L676-F693 HydrophobicContact CD2-CE1 3.82Å; L676-F693 HydrophobicContact CD2-CZ 4.08Å; L676-M878 HydrophobicContact CB-SD 4.36Å; L676-M878 HydrophobicContact CD1-CG 4.21Å; L676-M878 HydrophobicContact CD1-SD 4Å
677Q95.7Very high93.5Very high12 Ų1255 Ų556%0.05626%0.261CS..G310 helixtrans-72-26.2179.4-69.2174.9-44.500113.1Y659 L669 S670 S671 N675 Q879 H881Y659-Q677 HydrophobicContact CE1-CG 4.43Å; L669-Q677 PolarHBondContact O-NE2 3.44Å; L669-Q677 PolarHBondContact O-OE1 3.19Å; L669-Q677 VanDerWaalsContact O-OE1 3.14Å; S670-Q677 VanDerWaalsContact C-OE1 3.29Å; S670-Q677 VanDerWaalsContact CA-OE1 3.25Å; S671-Q677 WeakPolarHBondContact OG-CB 3.34Å; S671-Q677 VanDerWaalsContact OG-CG 3.31Å; S671-Q677 WeakPolarHBondContact OG-CG 3.5Å; S671-Q677 PolarHBondContact OG-N 2.87Å; S671-Q677 PolarHBondContact OG-OE1 2.84Å; N675-Q677 VanDerWaalsContact C-N 3.29Å; N675-Q677 PolarHBondContact OD1-N 3.21Å; Q677-Q879 WeakPolarHBondContact CG-O 3.33Å; Q677-H881 PolarHBondContact O-NE2 3.33Å
678N94.1Very high93.4Very high90 Ų9057.7 Ų57.748%0.48127%0.271SS..G310 helixtrans-97.117-175.2-77-31000114.1Y640 N675 L676 P680Y640-N678 PolarHBondContact OH-O 2.94Å; N675-N678 PolarHBondContact ND2-ND2 3.47Å; N675-N678 WeakPolarHBondContact OD1-CB 3.31Å; N675-N678 PolarHBondContact OD1-N 2.91Å; N675-N678 PolarHBondContact OD1-ND2 2.73Å; L676-N678 VanDerWaalsContact C-N 3.32Å; L676-N678 PolarHBondContact O-N 3.38Å; N678-P680 WeakPolarHBondContact O-CD 3.46Å
679I93.4Very high93.4Very high8 Ų852.8 Ų52.84%0.04125%0.253CS..  trans-70.2122.8179.5-64.2170000109.5Y640 L676 I689 R690 F693 W924Y640-I679 HydrophobicContact CD1-CG1 4.26Å; Y640-I679 HydrophobicContact CE1-CG1 3.93Å; L676-I679 HydrophobicContact CB-CD1 4.4Å; L676-I679 HydrophobicContact CD2-CD1 3.72Å; I679-I689 HydrophobicContact CG2-CG2 3.99Å; I679-R690 HydrophobicContact CG2-CG 3.73Å; I679-F693 HydrophobicContact CD1-CE1 3.89Å; I679-F693 HydrophobicContact CD1-CE2 3.72Å; I679-F693 HydrophobicContact CD1-CZ 3.23Å; I679-W924 HydrophobicContact CB-CH2 4.11Å; I679-W924 HydrophobicContact CB-CZ3 3.8Å; I679-W924 HydrophobicContact CD1-CH2 4.39Å; I679-W924 HydrophobicContact CD1-CZ3 3.72Å; I679-W924 HydrophobicContact CG1-CZ3 4.34Å; I679-W924 HydrophobicContact CG2-CZ3 3.88Å
680P91.3Very high93.3Very high36 Ų3652.7 Ų52.723%0.23425%0.252CS..  trans-69139.1-170.5-22.835.8000114.2L636 Y640 N678 G686L636-P680 HydrophobicContact CD2-CG 3.82Å; Y640-P680 HydrophobicContact CE2-CG 4.24Å; N678-P680 WeakPolarHBondContact O-CD 3.46Å; P680-G686 CarbonylContact O-C 3.45Å; P680-G686 WeakPolarHBondContact O-CA 3.35Å
681V89.4Confident93.3Very high52 Ų5255.2 Ų55.232%0.31526%0.261SS..  trans-111.8-23.7176.762.60000114.1N683 R687 R690V681-N683 PolarHBondContact O-N 2.69Å; V681-R687 WeakPolarHBondContact O-CG 3.36Å; V681-R690 VanDerWaalsContact CB-NH1 3.29Å
682R84.9Confident93.4Very high244 Ų24455.2 Ų55.292%0.92126%0.261SS*.SBendtrans-77.6-27.2-163.9-65.2-176.5-179.5174.21.6114.5
683N86.5Confident93.5Very high80 Ų8053 Ų5343%0.42825%0.248SC..SBendtrans-114.2155.3-177.862.18.7000110.7V681 E685 G686 R687V681-N683 PolarHBondContact O-N 2.69Å; N683-E685 VanDerWaalsContact C-N 3.31Å; N683-E685 PolarHBondContact O-N 3.14Å; N683-G686 PolarHBondContact O-N 2.96Å; N683-G686 VanDerWaalsContact O-N 3.09Å; N683-G686 VanDerWaalsContact OD1-CA 3.28Å; N683-G686 WeakPolarHBondContact OD1-CA 3.39Å; N683-G686 PolarHBondContact OD1-N 3.23Å; N683-R687 WeakPolarHBondContact O-CG 3.49Å; N683-R687 PolarHBondContact O-N 3.3Å
684E91.7Very high93.7Very high149 Ų14950.3 Ų50.370%0.69623%0.233SC*.Hα-helixtrans-55.6-45.1-177.4-174.7175.5-177.400112.4G686 R687 R688E684-G686 VanDerWaalsContact C-N 3.31Å; E684-G686 PolarHBondContact O-N 3.12Å; E684-R687 WeakPolarHBondContact O-CB 3.45Å; E684-R687 PolarHBondContact O-N 2.99Å; E684-R688 WeakPolarHBondContact O-CG 3.16Å; E684-R688 PolarHBondContact O-N 3.08Å
685E91.4Very high93.8Very high23 Ų2350.2 Ų50.211%0.10723%0.233CC..Hα-helixtrans-61.9-37.3177.7-57.6-60156.400112.6H555 R562 L633 L636 N683 R688 I689H555-E685 IonicContact CD2-OE2 3.61Å; H555-E685 PolarHBondContact CE1-O 3.27Å; H555-E685 VanDerWaalsContact CE1-O 3.22Å; H555-E685 IonicContact CE1-OE2 2.74Å; H555-E685 IonicContact NE2-OE2 3.03Å; H555-E685 PolarHBondContact NE2-OE2 2.79Å; R562-E685 IonicContact NH1-OE1 2.62Å; R562-E685 PolarHBondContact NH1-OE1 2.81Å; L633-E685 HydrophobicContact CD2-CB 4.49Å; L633-E685 HydrophobicContact CD2-CG 3.88Å; L636-E685 HydrophobicContact CD1-CB 3.48Å; L636-E685 VanDerWaalsContact CD1-CB 3.48Å; N683-E685 VanDerWaalsContact C-N 3.31Å; N683-E685 PolarHBondContact O-N 3.14Å; E685-R688 IonicContact OE2-NH1 3.81Å; E685-I689 PolarHBondContact O-N 2.9Å
686G90.5Very high93.9Very high0 Ų049 Ų490%023%0.228CC..Hα-helixtrans-66-45.1173.500000112.5P680 N683 E684 R688 I689 R690P680-G686 CarbonylContact O-C 3.45Å; P680-G686 WeakPolarHBondContact O-CA 3.35Å; N683-G686 PolarHBondContact O-N 2.96Å; N683-G686 VanDerWaalsContact O-N 3.09Å; N683-G686 VanDerWaalsContact OD1-CA 3.28Å; N683-G686 WeakPolarHBondContact OD1-CA 3.39Å; N683-G686 PolarHBondContact OD1-N 3.23Å; E684-G686 VanDerWaalsContact C-N 3.31Å; E684-G686 PolarHBondContact O-N 3.12Å; G686-R688 VanDerWaalsContact C-N 3.27Å; G686-R688 PolarHBondContact O-N 3.48Å; G686-I689 WeakPolarHBondContact O-CB 3.19Å; G686-I689 PolarHBondContact O-N 3.4Å; G686-R690 PolarHBondContact O-N 3.15Å
687R94Very high93.9Very high114 Ų11456.8 Ų56.843%0.4327%0.265SS..Hα-helixtrans-58.7-38.5176.6-69.1-172.966.41792.7112.3V681 N683 E684 I689 R690 Q691 D925V681-R687 WeakPolarHBondContact O-CG 3.36Å; N683-R687 WeakPolarHBondContact O-CG 3.49Å; N683-R687 PolarHBondContact O-N 3.3Å; E684-R687 WeakPolarHBondContact O-CB 3.45Å; E684-R687 PolarHBondContact O-N 2.99Å; R687-I689 VanDerWaalsContact C-N 3.28Å; R687-I689 PolarHBondContact O-N 3.46Å; R687-R690 WeakPolarHBondContact O-CA 3.33Å; R687-R690 WeakPolarHBondContact O-CB 3.31Å; R687-R690 PolarHBondContact O-N 2.81Å; R687-Q691 WeakPolarHBondContact O-CG 3.43Å; R687-Q691 PolarHBondContact O-N 2.66Å; R687-D925 WeakPolarHBondContact CB-OD1 3.25Å; R687-D925 WeakPolarHBondContact CG-OD1 3.43Å; R687-D925 IonicContact CZ-OD1 2.82Å; R687-D925 IonicContact CZ-OD2 2.76Å; R687-D925 IonicContact NE-OD1 2.63Å; R687-D925 PolarHBondContact NE-OD1 3.46Å; R687-D925 IonicContact NE-OD2 2.73Å; R687-D925 IonicContact NH2-OD1 2.68Å; R687-D925 PolarHBondContact NH2-OD1 2.88Å; R687-D925 IonicContact NH2-OD2 3.81Å; R687-D925 PolarHBondContact NH2-OD2 3.31Å
688R94.3Very high94Very high56 Ų5660.5 Ų60.521%0.21129%0.285CS..Hα-helixtrans-61.5-33.4174.2-70.217869.2-177.17.9113.4H555 E558 E684 E685 G686 Q691H555-R688 VanDerWaalsContact CD2-CZ 3.47Å; E558-R688 IonicContact OE1-CZ 3.55Å; E558-R688 IonicContact OE1-NH2 3.05Å; E558-R688 PolarHBondContact OE1-NH2 3.44Å; E558-R688 IonicContact OE2-CZ 3.08Å; E558-R688 IonicContact OE2-NH1 3.87Å; E558-R688 PolarHBondContact OE2-NH1 3.13Å; E558-R688 IonicContact OE2-NH2 3.57Å; E558-R688 PolarHBondContact OE2-NH2 2.97Å; E684-R688 WeakPolarHBondContact O-CG 3.16Å; E684-R688 PolarHBondContact O-N 3.08Å; E685-R688 IonicContact OE2-NH1 3.81Å; G686-R688 VanDerWaalsContact C-N 3.27Å; G686-R688 PolarHBondContact O-N 3.48Å; R688-Q691 WeakPolarHBondContact O-CB 3.18Å; R688-Q691 PolarHBondContact O-N 3.16Å
689I95.9Very high94.2Very high0 Ų058.4 Ų58.40%027%0.27CS..Hα-helixtrans-67.1-42.8172.4-64.5161.9000110L552 L636 Y640 T641 L644 I679 E685 G686 R687 Q691 A692 F693L552-I689 HydrophobicContact CD2-CG2 4.33Å; L636-I689 HydrophobicContact CB-CD1 4.2Å; L636-I689 HydrophobicContact CD2-CD1 3.77Å; L636-I689 HydrophobicContact CG-CD1 4.42Å; Y640-I689 HydrophobicContact CD2-CD1 3.81Å; Y640-I689 HydrophobicContact CG-CD1 4.09Å; Y640-I689 HydrophobicContact CG-CG2 4.37Å; T641-I689 HydrophobicContact CG2-CD1 4.47Å; T641-I689 HydrophobicContact CG2-CG1 4.15Å; L644-I689 HydrophobicContact CD1-CG2 4.43Å; I679-I689 HydrophobicContact CG2-CG2 3.99Å; E685-I689 PolarHBondContact O-N 2.9Å; G686-I689 WeakPolarHBondContact O-CB 3.19Å; G686-I689 PolarHBondContact O-N 3.4Å; R687-I689 VanDerWaalsContact C-N 3.28Å; R687-I689 PolarHBondContact O-N 3.46Å; I689-Q691 PolarHBondContact O-N 3.12Å; I689-A692 WeakPolarHBondContact O-CB 3.33Å; I689-A692 PolarHBondContact O-N 3.3Å; I689-F693 HydrophobicContact CG2-CE2 4.16Å; I689-F693 VanDerWaalsContact O-CD2 3.3Å; I689-F693 WeakPolarHBondContact O-CD2 3.47Å; I689-F693 WeakPolarHBondContact O-CE2 3.42Å
690R96.8Very high94.5Very high8 Ų858.6 Ų58.63%0.0327%0.272CS..Hα-helixtrans-60.5-32175.3-70.5-171.1143.8-172.8-4112.7I679 V681 G686 R687 A692 F693 E883 W924 D925 H928I679-R690 HydrophobicContact CG2-CG 3.73Å; V681-R690 VanDerWaalsContact CB-NH1 3.29Å; G686-R690 PolarHBondContact O-N 3.15Å; R687-R690 WeakPolarHBondContact O-CA 3.33Å; R687-R690 WeakPolarHBondContact O-CB 3.31Å; R687-R690 PolarHBondContact O-N 2.81Å; R690-A692 PolarHBondContact O-N 3.43Å; R690-F693 WeakPolarHBondContact O-CB 3.39Å; R690-F693 PolarHBondContact O-N 3.49Å; R690-E883 IonicContact NH2-OE2 3.27Å; R690-W924 HydrophobicContact CB-CD2 4.48Å; R690-W924 HydrophobicContact CB-CE3 4.04Å; R690-W924 HydrophobicContact CG-CD2 4.22Å; R690-W924 HydrophobicContact CG-CE3 3.63Å; R690-W924 HydrophobicContact CG-CZ3 3.83Å; R690-D925 HydrophobicContact CB-CB 3.84Å; R690-H928 PolarHBondContact NH1-CD2 3.34Å; R690-H928 VanDerWaalsContact NH1-CD2 3.3Å; R690-H928 PolarHBondContact NH1-NE2 3.45Å
691Q97.3Very high94.8Very high73 Ų7357 Ų5734%0.34126%0.261SS..Hα-helixtrans-63.7-21.7175.1-68.8169.41.400113.7R687 R688 I689 F693 N923 D925R687-Q691 WeakPolarHBondContact O-CG 3.43Å; R687-Q691 PolarHBondContact O-N 2.66Å; R688-Q691 WeakPolarHBondContact O-CB 3.18Å; R688-Q691 PolarHBondContact O-N 3.16Å; I689-Q691 PolarHBondContact O-N 3.12Å; Q691-F693 VanDerWaalsContact C-N 3.28Å; Q691-F693 PolarHBondContact O-N 2.91Å; Q691-N923 WeakPolarHBondContact O-CB 3.44Å; Q691-D925 HydrophobicContact CG-CB 3.63Å; Q691-D925 PolarHBondContact NE2-OD2 2.78Å; Q691-D925 VanDerWaalsContact NE2-OD2 3.09Å
692A97.5Very high95.3Very high0 Ų054.5 Ų54.50%025%0.246CC..THydrogen-bonded Turntrans-75.2-16174.900000113.2I547 D548 V551 L552 I689 R690 I694I547-A692 CarbonylContact C-O 3.55Å; I547-A692 VanDerWaalsContact CA-O 3.24Å; I547-A692 WeakPolarHBondContact CA-O 3.4Å; I547-A692 HydrophobicContact CG2-CB 4.11Å; D548-A692 PolarHBondContact N-O 2.7Å; V551-A692 HydrophobicContact CB-CB 4.08Å; V551-A692 HydrophobicContact CG1-CB 3.9Å; L552-A692 HydrophobicContact CD1-CB 4.25Å; L552-A692 HydrophobicContact CD2-CB 3.5Å; L552-A692 VanDerWaalsContact CD2-CB 3.5Å; L552-A692 HydrophobicContact CG-CB 3.56Å; I689-A692 WeakPolarHBondContact O-CB 3.33Å; I689-A692 PolarHBondContact O-N 3.3Å; R690-A692 PolarHBondContact O-N 3.43Å; A692-I694 PolarHBondContact O-N 3.28Å
693F98.3Very high95.9Very high4 Ų443 Ų432%0.01820%0.203CC..BIsolated β-bridgetrans-84.5105.5177-67.6-103000108.7V545 I547 L644 L676 I679 I689 R690 Q691 M878 N923 W924V545-F693 HydrophobicContact CB-CD1 4.3Å; V545-F693 HydrophobicContact CG2-CD1 4.09Å; V545-F693 HydrophobicContact CG2-CE1 3.93Å; I547-F693 HydrophobicContact CD1-CD1 4.19Å; I547-F693 HydrophobicContact CD1-CE1 3.61Å; I547-F693 HydrophobicContact CD1-CE2 4.43Å; I547-F693 HydrophobicContact CD1-CZ 3.72Å; I547-F693 HydrophobicContact CG1-CD1 4.06Å; I547-F693 HydrophobicContact CG1-CE1 4Å; I547-F693 HydrophobicContact CG1-CZ 4.39Å; L644-F693 HydrophobicContact CD1-CE2 4.26Å; L644-F693 HydrophobicContact CD1-CZ 3.91Å; L676-F693 HydrophobicContact CD2-CE1 3.82Å; L676-F693 HydrophobicContact CD2-CZ 4.08Å; I679-F693 HydrophobicContact CD1-CE1 3.89Å; I679-F693 HydrophobicContact CD1-CE2 3.72Å; I679-F693 HydrophobicContact CD1-CZ 3.23Å; I689-F693 HydrophobicContact CG2-CE2 4.16Å; I689-F693 VanDerWaalsContact O-CD2 3.3Å; I689-F693 WeakPolarHBondContact O-CD2 3.47Å; I689-F693 WeakPolarHBondContact O-CE2 3.42Å; R690-F693 WeakPolarHBondContact O-CB 3.39Å; R690-F693 PolarHBondContact O-N 3.49Å; Q691-F693 VanDerWaalsContact C-N 3.28Å; Q691-F693 PolarHBondContact O-N 2.91Å; F693-M878 HydrophobicContact CD1-CE 4.32Å; F693-M878 HydrophobicContact CD1-SD 4.33Å; F693-M878 HydrophobicContact CE1-SD 4.5Å; F693-N923 CarbonylContact O-C 3.55Å; F693-N923 WeakPolarHBondContact O-CA 3.36Å; F693-N923 VanDerWaalsContact O-CB 3.24Å; F693-N923 WeakPolarHBondContact O-CB 3.48Å; F693-W924 HydrophobicContact CB-CB 3.79Å; F693-W924 HydrophobicContact CB-CE3 4.33Å; F693-W924 HydrophobicContact CD1-CE3 4.45Å; F693-W924 HydrophobicContact CD2-CE3 4.07Å; F693-W924 HydrophobicContact CG-CE3 4.02Å; F693-W924 PolarHBondContact O-N 3.05Å
694I98.4Very high96.5Very high39 Ų3939.2 Ų39.220%0.218%0.183CC..BIsolated β-bridgetrans-122161.5-167.857.8160000110.9K546 D548 A692 N923K546-I694 WeakPolarHBondContact CB-O 3.03Å; K546-I694 HydrophobicContact CD-CD1 4.24Å; K546-I694 HydrophobicContact CD-CG1 4.25Å; K546-I694 HydrophobicContact CG-CD1 4.34Å; K546-I694 HydrophobicContact CG-CG1 4.05Å; K546-I694 PolarHBondContact O-N 3.27Å; D548-I694 HydrophobicContact CB-CD1 4Å; D548-I694 HydrophobicContact CB-CG1 4.39Å; A692-I694 PolarHBondContact O-N 3.28Å; I694-N923 HydrophobicContact CG2-CB 4.08Å
695A98Very high96.8Very high10 Ų1034.4 Ų34.48%0.08316%0.162CC..PPolyproline II helixtrans-85.8160.8170.600000112Y699 I701A695-Y699 WeakPolarHBondContact CB-O 3.5Å; A695-I701 HydrophobicContact CB-CD1 4.01Å; A695-I701 HydrophobicContact CB-CG1 4.15Å
696P97Very high97.1Very high30 Ų3033.7 Ų33.720%0.19516%0.159CC..PPolyproline II helixtrans-65.7169.6164.927.3-32.6000111.8K546 Y699 E887K546-P696 HydrophobicContact CD-CB 4.41Å; P696-Y699 HydrophobicContact CG-CD2 4Å; P696-Y699 HydrophobicContact CG-CG 3.92Å; P696-Y699 PolarHBondContact O-N 2.79Å; P696-Y699 VanDerWaalsContact O-N 3.13Å; P696-E887 WeakPolarHBondContact CD-OE1 3.21Å
697E96.5Very high97.2Very high165 Ų16534.4 Ų34.477%0.77116%0.164SC*.THydrogen-bonded Turntrans-54.7142.6173.4-173170.4-161.200110.4Y699E697-Y699 WeakPolarHBondContact O-CD2 3.49Å; E697-Y699 PolarHBondContact O-N 2.59Å
698D97.6Very high97.1Very high90 Ų9031.8 Ų31.848%0.48116%0.156SC..THydrogen-bonded Turntrans64.52-173.6-55.6-39.2000117R890D698-R890 WeakPolarHBondContact O-CG 3.39Å; D698-R890 PolarHBondContact O-N 3.15Å
699Y98.6Very high97Very high45 Ų4529.3 Ų29.318%0.17615%0.147CC..EExtended strand (participates in β ladder)trans-113.1161.1175.1-71.6-114.1000110.9A695 P696 E697 R873 E887 V888 H889A695-Y699 WeakPolarHBondContact CB-O 3.5Å; P696-Y699 HydrophobicContact CG-CD2 4Å; P696-Y699 HydrophobicContact CG-CG 3.92Å; P696-Y699 PolarHBondContact O-N 2.79Å; P696-Y699 VanDerWaalsContact O-N 3.13Å; E697-Y699 WeakPolarHBondContact O-CD2 3.49Å; E697-Y699 PolarHBondContact O-N 2.59Å; Y699-R873 WeakPolarHBondContact CE1-O 3.14Å; Y699-E887 HydrophobicContact CD1-CB 4.08Å; Y699-V888 CarbonylContact C-O 3.6Å; Y699-V888 VanDerWaalsContact CA-O 3.24Å; Y699-V888 WeakPolarHBondContact CA-O 3.19Å; Y699-H889 HydrophobicContact CD1-CB 4.34Å; Y699-H889 VanDerWaalsContact CD1-N 3.26Å; Y699-H889 HydrophobicContact CE1-CB 4.04Å; Y699-H889 HydrophobicContact CE2-CB 4.43Å; Y699-H889 AromaticContact CE2-CD2 3.89Å
700V98.6Very high96.9Very high12 Ų1230.6 Ų30.67%0.07315%0.153CC..EExtended strand (participates in β ladder)trans-127.4159.8168.7-66.60000109.6V702 V888 R890 V893V700-V702 HydrophobicContact CG2-CG2 4.41Å; V700-V888 PolarHBondContact N-O 3.01Å; V700-V888 PolarHBondContact O-N 3.14Å; V700-R890 HydrophobicContact CG1-CG 3.88Å; V700-V893 HydrophobicContact CG2-CG2 3.35Å
701I98.7Very high96.7Very high2 Ų230.2 Ų30.21%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-80.8132.6169.9-58.9-63.7000108.1A695 I877 V885 F886 E887 S920 G921 A927A695-I701 HydrophobicContact CB-CD1 4.01Å; A695-I701 HydrophobicContact CB-CG1 4.15Å; I701-I877 HydrophobicContact CD1-CD1 3.98Å; I701-V885 HydrophobicContact CG2-CG1 3.55Å; I701-F886 WeakPolarHBondContact CA-O 3.35Å; I701-E887 HydrophobicContact CD1-CG 4.22Å; I701-S920 CarbonylContact O-C 3.48Å; I701-S920 WeakPolarHBondContact O-CA 3.47Å; I701-G921 PolarHBondContact N-O 2.84Å; I701-G921 PolarHBondContact O-N 2.91Å; I701-A927 HydrophobicContact CB-CB 4.05Å; I701-A927 HydrophobicContact CG2-CB 3.71Å; I701-A927 WeakPolarHBondContact O-CB 3.24Å
702V98.7Very high96.6Very high0 Ų027.5 Ų27.50%014%0.138CC..EExtended strand (participates in β ladder)trans-116.9127.8168.5174.60000108V700 V885 F886 V888 V893 V918 G919V700-V702 HydrophobicContact CG2-CG2 4.41Å; V702-V885 CarbonylContact O-C 3.45Å; V702-V885 WeakPolarHBondContact O-CA 3.41Å; V702-F886 HydrophobicContact CB-CB 4.32Å; V702-F886 PolarHBondContact N-O 3.49Å; V702-F886 PolarHBondContact O-N 3.32Å; V702-V888 HydrophobicContact CB-CG2 3.87Å; V702-V888 HydrophobicContact CG2-CB 3.92Å; V702-V888 HydrophobicContact CG2-CG2 3.54Å; V702-V893 HydrophobicContact CG2-CG1 4.31Å; V702-V918 HydrophobicContact CG1-CG1 3.64Å; V702-G919 CarbonylContact C-O 3.57Å; V702-G919 WeakPolarHBondContact CA-O 3.47Å
703S98.3Very high96.5Very high3 Ų327.5 Ų27.52%0.02114%0.138CC..EExtended strand (participates in β ladder)trans-111.3135.6174.6171.60000109.3E883 V918 G919S703-E883 WeakPolarHBondContact CB-OE1 3.32Å; S703-E883 VanDerWaalsContact OG-CD 3.29Å; S703-E883 WeakPolarHBondContact OG-CG 3.24Å; S703-E883 PolarHBondContact OG-OE1 2.97Å; S703-V918 CarbonylContact O-C 3.54Å; S703-V918 VanDerWaalsContact O-CA 3.27Å; S703-V918 WeakPolarHBondContact O-CA 3.36Å; S703-G919 PolarHBondContact N-O 2.84Å; S703-G919 PolarHBondContact O-N 3.42Å
704A98.4Very high96.3Very high0 Ų027.3 Ų27.30%014%0.138CC..EExtended strand (participates in β ladder)trans-128.7111.3175.500000109.4E883 L884 F886 I900 M904 V916 E917 V918A704-E883 CarbonylContact O-C 3.57Å; A704-E883 WeakPolarHBondContact O-CA 3.45Å; A704-L884 PolarHBondContact N-O 2.88Å; A704-L884 PolarHBondContact O-N 3.3Å; A704-F886 HydrophobicContact CB-CE2 4.3Å; A704-I900 HydrophobicContact CB-CG2 3.78Å; A704-M904 HydrophobicContact CB-CE 4.25Å; A704-M904 HydrophobicContact CB-SD 3.48Å; A704-M904 WeakPolarHBondContact CB-SD 3.4Å; A704-V916 HydrophobicContact CB-CG1 3.93Å; A704-E917 WeakPolarHBondContact CA-O 3.31Å; A704-V918 HydrophobicContact CB-CG2 3.95Å
705D97.6Very high96.1Very high49 Ų4925.5 Ų25.526%0.26213%0.128SC..EExtended strand (participates in β ladder)trans-120.6137.4-173.6-170.114000111.6S707 D882 E883 V916 E917 H928D705-S707 PolarHBondContact O-N 3.42Å; D705-D882 VanDerWaalsContact OD1-C 3.28Å; D705-D882 WeakPolarHBondContact OD1-CB 3.43Å; D705-E883 HydrophobicContact CB-CB 4.15Å; D705-E883 HydrophobicContact CB-CG 4.3Å; D705-V916 WeakPolarHBondContact O-CA 3.46Å; D705-E917 PolarHBondContact N-O 2.75Å; D705-E917 PolarHBondContact O-N 2.81Å; D705-H928 IonicContact OD2-CE1 3.62Å
706Y97.5Very high96Very high8 Ų826.5 Ų26.53%0.03113%0.131CC..EExtended strand (participates in β ladder)trans-74.8122.4175.8-75.7-72.7000111.8Q708 I709 I855 I856 D882 M904 C907 L914 V916Y706-Q708 PolarHBondContact O-N 2.89Å; Y706-Q708 VanDerWaalsContact O-N 3.13Å; Y706-I709 HydrophobicContact CD1-CD1 4.42Å; Y706-I709 HydrophobicContact CG-CD1 4.39Å; Y706-I855 HydrophobicContact CE1-CG2 4.39Å; Y706-I855 HydrophobicContact CE2-CG2 3.91Å; Y706-I856 HydrophobicContact CD2-CD1 4.06Å; Y706-I856 HydrophobicContact CE2-CD1 3.76Å; Y706-D882 WeakPolarHBondContact CD2-O 3.46Å; Y706-D882 PolarHBondContact N-O 2.77Å; Y706-M904 HydrophobicContact CD2-CE 4.04Å; Y706-M904 HydrophobicContact CE1-CB 4.35Å; Y706-M904 HydrophobicContact CE2-CE 3.7Å; Y706-M904 PolarHBondContact OH-O 2.95Å; Y706-C907 PolarHBondContact OH-SG 3.03Å; Y706-C907 VanDerWaalsContact OH-SG 3.4Å; Y706-L914 HydrophobicContact CD1-CB 4.45Å; Y706-L914 HydrophobicContact CE1-CB 4.14Å; Y706-L914 HydrophobicContact CE1-CD1 4.01Å; Y706-V916 HydrophobicContact CD1-CG2 3.48Å; Y706-V916 VanDerWaalsContact CD1-CG2 3.48Å; Y706-V916 HydrophobicContact CE1-CG2 3.46Å; Y706-V916 VanDerWaalsContact CE1-CG2 3.46Å; Y706-V916 HydrophobicContact CG-CG2 4.33Å
707S93.5Very high95.9Very high15 Ų1526.3 Ų26.311%0.10513%0.128CC..THydrogen-bonded Turntrans-75.1108.1176.7-165.60000111.1D705 I709 R712 L915 E917D705-S707 PolarHBondContact O-N 3.42Å; S707-I709 PolarHBondContact O-N 2.89Å; S707-R712 PolarHBondContact O-NE 3.47Å; S707-L915 PolarHBondContact N-O 2.92Å; S707-E917 VanDerWaalsContact CB-OE1 3.29Å; S707-E917 WeakPolarHBondContact CB-OE1 3.49Å; S707-E917 PolarHBondContact OG-OE1 3.27Å
708Q90.8Very high95.8Very high59 Ų5918.9 Ų18.928%0.27610%0.095SC..THydrogen-bonded Turntrans59.542.1171.8-57.4167.170.100113.9Y706 E710 L711 R712Y706-Q708 PolarHBondContact O-N 2.89Å; Y706-Q708 VanDerWaalsContact O-N 3.13Å; Q708-E710 VanDerWaalsContact C-N 3.33Å; Q708-E710 PolarHBondContact O-N 2.88Å; Q708-L711 HydrophobicContact CB-CB 4.4Å; Q708-L711 HydrophobicContact CB-CD1 4.26Å; Q708-L711 PolarHBondContact O-N 3.21Å; Q708-L711 VanDerWaalsContact O-N 3.12Å; Q708-R712 PolarHBondContact O-N 3.45Å
709I94.2Very high95.7Very high3 Ų322.8 Ų22.82%0.01510%0.103CC..Hα-helixtrans-52.8-44.8-174.5-172.559.5000113.6Y706 S707 L711 R712 I713 A852 I855 D882 L914Y706-I709 HydrophobicContact CD1-CD1 4.42Å; Y706-I709 HydrophobicContact CG-CD1 4.39Å; S707-I709 PolarHBondContact O-N 2.89Å; I709-L711 VanDerWaalsContact C-N 3.32Å; I709-L711 PolarHBondContact O-N 2.96Å; I709-R712 WeakPolarHBondContact O-CB 3.18Å; I709-R712 PolarHBondContact O-N 3.41Å; I709-R712 VanDerWaalsContact O-N 3.16Å; I709-I713 HydrophobicContact CD1-CD1 4.23Å; I709-I713 HydrophobicContact CD1-CG1 4.39Å; I709-I713 HydrophobicContact CG1-CD1 3.82Å; I709-I713 HydrophobicContact CG1-CG1 4.44Å; I709-I713 VanDerWaalsContact O-CG1 3.32Å; I709-I713 WeakPolarHBondContact O-CG1 3.42Å; I709-I713 PolarHBondContact O-N 3.29Å; I709-A852 HydrophobicContact CG1-CB 4.2Å; I709-A852 HydrophobicContact CG2-CB 4.24Å; I709-I855 HydrophobicContact CD1-CD1 4.03Å; I709-I855 HydrophobicContact CD1-CG2 4.33Å; I709-D882 HydrophobicContact CG2-CB 4.22Å; I709-D882 VanDerWaalsContact CG2-CG 3.44Å; I709-D882 VanDerWaalsContact CG2-OD2 3.32Å; I709-D882 WeakPolarHBondContact CG2-OD2 3.47Å; I709-L914 HydrophobicContact CD1-CD2 3.37Å
710E92.9Very high95.5Very high28 Ų2821 Ų2113%0.13110%0.096CC..Hα-helixtrans-64.3-35.5-178.2-67.8-171.1144.600112.6Q708 I713 M714 Y766 Q849Q708-E710 VanDerWaalsContact C-N 3.33Å; Q708-E710 PolarHBondContact O-N 2.88Å; E710-I713 PolarHBondContact O-N 2.78Å; E710-M714 WeakPolarHBondContact O-CB 3.36Å; E710-M714 PolarHBondContact O-N 3.3Å; E710-Y766 WeakPolarHBondContact OE2-CE1 3.35Å; E710-Y766 VanDerWaalsContact OE2-CZ 3.29Å; E710-Y766 PolarHBondContact OE2-OH 3.16Å; E710-Q849 WeakPolarHBondContact OE1-CG 3.44Å
711L93.1Very high95.3Very high0 Ų028.6 Ų28.60%013%0.128CC..Hα-helixtrans-70.9-35.8176.2-82.7153.9000112Q708 I709 M714 A715 F727 I733 N761 F762 I765Q708-L711 HydrophobicContact CB-CB 4.4Å; Q708-L711 HydrophobicContact CB-CD1 4.26Å; Q708-L711 PolarHBondContact O-N 3.21Å; Q708-L711 VanDerWaalsContact O-N 3.12Å; I709-L711 VanDerWaalsContact C-N 3.32Å; I709-L711 PolarHBondContact O-N 2.96Å; L711-M714 PolarHBondContact O-N 3.3Å; L711-A715 PolarHBondContact O-N 2.64Å; L711-F727 HydrophobicContact CB-CE2 4.16Å; L711-F727 HydrophobicContact CB-CZ 3.68Å; L711-I733 HydrophobicContact CD1-CG2 3.97Å; L711-N761 HydrophobicContact CD2-CB 4.13Å; L711-F762 HydrophobicContact CD1-CE2 4.24Å; L711-F762 HydrophobicContact CD1-CZ 3.99Å; L711-I765 HydrophobicContact CB-CD1 4.49Å; L711-I765 HydrophobicContact CD2-CD1 3.22Å; L711-I765 HydrophobicContact CD2-CG1 4.5Å; L711-I765 HydrophobicContact CG-CD1 3.53Å
712R94.5Very high94.8Very high16 Ų1630.1 Ų30.16%0.0614%0.144CC..Hα-helixtrans-66-42174.3-67.2178.3-171.6-81.5-7.1111S707 Q708 I709 A715 H716 F727 V912 P913 L915S707-R712 PolarHBondContact O-NE 3.47Å; Q708-R712 PolarHBondContact O-N 3.45Å; I709-R712 WeakPolarHBondContact O-CB 3.18Å; I709-R712 PolarHBondContact O-N 3.41Å; I709-R712 VanDerWaalsContact O-N 3.16Å; R712-A715 PolarHBondContact O-N 2.93Å; R712-H716 PolarHBondContact O-N 2.86Å; R712-F727 HydrophobicContact CG-CD1 3.95Å; R712-F727 HydrophobicContact CG-CE1 3.69Å; R712-F727 HydrophobicContact CG-CE2 4.43Å; R712-F727 HydrophobicContact CG-CG 4.44Å; R712-F727 HydrophobicContact CG-CZ 3.97Å; R712-V912 HydrophobicContact CB-CG2 3.73Å; R712-V912 HydrophobicContact CG-CG2 4.18Å; R712-V912 WeakPolarHBondContact O-CG2 3.4Å; R712-P913 WeakPolarHBondContact CD-O 3.34Å; R712-P913 PolarHBondContact NH1-O 3.46Å; R712-L915 VanDerWaalsContact NH2-CB 3.28Å
713I95.5Very high94.5Very high0 Ų030.1 Ų30.10%014%0.144CC..Hα-helixtrans-64-43.8174.3-65162.9000110.5I709 E710 A715 H716 L717 M848 T851 A852 I855 L910I709-I713 HydrophobicContact CD1-CD1 4.23Å; I709-I713 HydrophobicContact CD1-CG1 4.39Å; I709-I713 HydrophobicContact CG1-CD1 3.82Å; I709-I713 HydrophobicContact CG1-CG1 4.44Å; I709-I713 VanDerWaalsContact O-CG1 3.32Å; I709-I713 WeakPolarHBondContact O-CG1 3.42Å; I709-I713 PolarHBondContact O-N 3.29Å; E710-I713 PolarHBondContact O-N 2.78Å; I713-A715 VanDerWaalsContact C-N 3.33Å; I713-A715 PolarHBondContact O-N 3.42Å; I713-H716 PolarHBondContact O-N 3.36Å; I713-L717 HydrophobicContact CG2-CD1 3.65Å; I713-L717 HydrophobicContact CG2-CG 3.98Å; I713-L717 WeakPolarHBondContact O-CB 3.43Å; I713-L717 WeakPolarHBondContact O-CG 3.31Å; I713-L717 PolarHBondContact O-N 2.87Å; I713-M848 HydrophobicContact CG2-CB 4.3Å; I713-M848 HydrophobicContact CG2-CG 4.13Å; I713-T851 HydrophobicContact CD1-CG2 3.91Å; I713-T851 HydrophobicContact CG1-CG2 4.01Å; I713-T851 HydrophobicContact CG2-CG2 3.92Å; I713-A852 HydrophobicContact CD1-CB 3.66Å; I713-I855 HydrophobicContact CD1-CD1 4.1Å; I713-I855 HydrophobicContact CG1-CD1 4.16Å; I713-L910 HydrophobicContact CG1-CD1 4.16Å
714M93.9Very high94.3Very high0 Ų031.7 Ų31.70%015%0.152CC..Hα-helixtrans-57.4-46.6174.5178.259.596.900111.2E710 L711 H716 L717 S718 L723 I765 V798 Y801 M848E710-M714 WeakPolarHBondContact O-CB 3.36Å; E710-M714 PolarHBondContact O-N 3.3Å; L711-M714 PolarHBondContact O-N 3.3Å; M714-H716 VanDerWaalsContact C-N 3.29Å; M714-H716 PolarHBondContact O-N 2.78Å; M714-L717 PolarHBondContact O-N 3.04Å; M714-S718 WeakPolarHBondContact O-CB 3.37Å; M714-S718 PolarHBondContact O-N 2.86Å; M714-S718 PolarHBondContact O-OG 3.4Å; M714-L723 HydrophobicContact CG-CD1 4.45Å; M714-I765 HydrophobicContact CB-CG1 4.33Å; M714-I765 HydrophobicContact CE-CB 4.22Å; M714-I765 HydrophobicContact CE-CG1 3.8Å; M714-I765 HydrophobicContact CE-CG2 4.46Å; M714-I765 HydrophobicContact CG-CG1 4.14Å; M714-V798 HydrophobicContact CE-CG1 4.06Å; M714-V798 HydrophobicContact SD-CG1 4.1Å; M714-Y801 HydrophobicContact CE-CD1 4.34Å; M714-Y801 HydrophobicContact CE-CE1 4.25Å; M714-Y801 HydrophobicContact SD-CD1 3.86Å; M714-Y801 HydrophobicContact SD-CE1 4.03Å; M714-M848 HydrophobicContact CB-SD 3.85Å; M714-M848 HydrophobicContact CE-CE 3.83Å; M714-M848 HydrophobicContact CE-SD 3.4Å; M714-M848 WeakPolarHBondContact CE-SD 3.44Å; M714-M848 HydrophobicContact CG-SD 4.31Å; M714-M848 HydrophobicContact SD-SD 3.83Å
715A94.4Very high93.9Very high0 Ų034.9 Ų34.90%017%0.172CC..Hα-helixtrans-58-42177.300000111.9L711 R712 I713 S718 R719 L723 L724 F727 V912L711-A715 PolarHBondContact O-N 2.64Å; R712-A715 PolarHBondContact O-N 2.93Å; I713-A715 VanDerWaalsContact C-N 3.33Å; I713-A715 PolarHBondContact O-N 3.42Å; A715-S718 PolarHBondContact O-OG 2.99Å; A715-R719 WeakPolarHBondContact O-CA 3.08Å; A715-R719 PolarHBondContact O-N 3.42Å; A715-L723 HydrophobicContact CB-CB 3.76Å; A715-L723 HydrophobicContact CB-CD1 4.48Å; A715-L724 HydrophobicContact CB-CD2 4.18Å; A715-L724 WeakPolarHBondContact O-CD2 3.33Å; A715-F727 HydrophobicContact CB-CD2 3.88Å; A715-F727 HydrophobicContact CB-CE2 4.14Å; A715-V912 HydrophobicContact CB-CG1 4.32Å
716H96.1Very high93.6Very high31 Ų3132.9 Ų32.914%0.14416%0.162CC..Hα-helixtrans-67.5-49.6176.6177.968.1000113.3R712 I713 M714 R719 L910 D911R712-H716 PolarHBondContact O-N 2.86Å; I713-H716 PolarHBondContact O-N 3.36Å; M714-H716 VanDerWaalsContact C-N 3.29Å; M714-H716 PolarHBondContact O-N 2.78Å; H716-R719 VanDerWaalsContact O-CG 3.27Å; H716-R719 WeakPolarHBondContact O-CG 3.43Å; H716-R719 PolarHBondContact O-N 3.47Å; H716-L910 HydrophobicContact CB-CB 4.26Å; H716-L910 HydrophobicContact CB-CD2 4.5Å; H716-D911 IonicContact CE1-OD2 3.89Å; H716-D911 PolarHBondContact CE1-OD2 3.47Å; H716-D911 IonicContact CG-OD2 3.04Å; H716-D911 PolarHBondContact ND1-N 3.14Å; H716-D911 IonicContact ND1-OD1 2.73Å; H716-D911 IonicContact ND1-OD2 3.27Å; H716-D911 PolarHBondContact ND1-OD2 3.09Å
717L95Very high93.3Very high26 Ų2633 Ų3314%0.13616%0.162CC..Hα-helixtrans-67.5-38.2-177.6-68.7178.7000112.6I713 M714 Y801 R804 L818 P847 M848I713-L717 HydrophobicContact CG2-CD1 3.65Å; I713-L717 HydrophobicContact CG2-CG 3.98Å; I713-L717 WeakPolarHBondContact O-CB 3.43Å; I713-L717 WeakPolarHBondContact O-CG 3.31Å; I713-L717 PolarHBondContact O-N 2.87Å; M714-L717 PolarHBondContact O-N 3.04Å; L717-Y801 HydrophobicContact CB-CD2 4.05Å; L717-Y801 HydrophobicContact CB-CE2 3.77Å; L717-Y801 HydrophobicContact CD1-CE2 4.18Å; L717-Y801 HydrophobicContact CG-CE2 4.5Å; L717-R804 PolarHBondContact O-NH2 3.39Å; L717-L818 HydrophobicContact CD2-CD2 3.53Å; L717-L818 HydrophobicContact CD2-CG 4.15Å; L717-P847 HydrophobicContact CD1-CB 4.3Å; L717-M848 HydrophobicContact CD1-CG 3.84Å
718S94.5Very high93.1Very high10 Ų1035.7 Ų35.77%0.0719%0.186CC..Hα-helixtrans-75.1-24.9175.5650000113.3M714 A715 D720 G797M714-S718 WeakPolarHBondContact O-CB 3.37Å; M714-S718 PolarHBondContact O-N 2.86Å; M714-S718 PolarHBondContact O-OG 3.4Å; A715-S718 PolarHBondContact O-OG 2.99Å; S718-D720 PolarHBondContact O-N 2.82Å; S718-D720 VanDerWaalsContact O-N 3.15Å; S718-D720 PolarHBondContact OG-N 3.1Å; S718-G797 WeakPolarHBondContact CB-O 3.32Å
719R95.2Very high93.1Very high172 Ų17238.3 Ų38.365%0.64920%0.198SC*.THydrogen-bonded Turntrans52.128.4-170.7-56-180179.3173.6-0.4112.4A715 H716 K721A715-R719 WeakPolarHBondContact O-CA 3.08Å; A715-R719 PolarHBondContact O-N 3.42Å; H716-R719 VanDerWaalsContact O-CG 3.27Å; H716-R719 WeakPolarHBondContact O-CG 3.43Å; H716-R719 PolarHBondContact O-N 3.47Å; R719-K721 PolarHBondContact O-N 3.2Å
720D94.5Very high92.9Very high6 Ų641.4 Ų41.43%0.03223%0.231CC..  trans-70.4118.8-177.3-175.3-84.6000110.2S718 G722 L723 L724 Y795 P796 G797 V798S718-D720 PolarHBondContact O-N 2.82Å; S718-D720 VanDerWaalsContact O-N 3.15Å; S718-D720 PolarHBondContact OG-N 3.1Å; D720-G722 VanDerWaalsContact C-N 3.27Å; D720-G722 PolarHBondContact O-N 3.01Å; D720-G722 WeakPolarHBondContact OD1-CA 3.46Å; D720-G722 PolarHBondContact OD1-N 3.29Å; D720-L723 HydrophobicContact CB-CB 4.23Å; D720-L723 HydrophobicContact CB-CD1 4.18Å; D720-L723 HydrophobicContact CB-CG 4.23Å; D720-L723 PolarHBondContact O-N 3Å; D720-L723 PolarHBondContact OD1-N 3.31Å; D720-L724 WeakPolarHBondContact O-CB 3.41Å; D720-L724 WeakPolarHBondContact O-CG 3.35Å; D720-L724 PolarHBondContact O-N 3.45Å; D720-Y795 WeakPolarHBondContact OD1-CD1 3.46Å; D720-Y795 WeakPolarHBondContact OD2-CA 3.06Å; D720-P796 WeakPolarHBondContact OD2-CD 3.25Å; D720-G797 PolarHBondContact OD2-N 3.35Å; D720-V798 HydrophobicContact CB-CG2 4.33Å
721K93.1Very high92.6Very high173 Ų17344.4 Ų44.475%0.75224%0.244SC*.Hα-helixtrans-58.5-38.6-175.5-66.6179.8-178.5175.10112.6R719 T725R719-K721 PolarHBondContact O-N 3.2Å; K721-T725 VanDerWaalsContact O-CB 3.29Å; K721-T725 WeakPolarHBondContact O-CB 3.45Å; K721-T725 PolarHBondContact O-N 3.44Å; K721-T725 PolarHBondContact O-OG1 3.42Å
722G90.1Very high92.4Very high33 Ų3346.7 Ų46.734%0.3426%0.256SS..Hα-helixtrans-65.4-46.7-179.500000111.5D720 A726D720-G722 VanDerWaalsContact C-N 3.27Å; D720-G722 PolarHBondContact O-N 3.01Å; D720-G722 WeakPolarHBondContact OD1-CA 3.46Å; D720-G722 PolarHBondContact OD1-N 3.29Å; G722-A726 VanDerWaalsContact O-CB 3.31Å; G722-A726 WeakPolarHBondContact O-CB 3.22Å; G722-A726 PolarHBondContact O-N 3.46Å
723L90.6Very high92.2Very high1 Ų145.9 Ų45.91%0.00525%0.253CS..Hα-helixtrans-65.1-46.1175.5-67.2-179.4000112.1M714 A715 D720 T725 A726 F727 I733 Y795 V798M714-L723 HydrophobicContact CG-CD1 4.45Å; A715-L723 HydrophobicContact CB-CB 3.76Å; A715-L723 HydrophobicContact CB-CD1 4.48Å; D720-L723 HydrophobicContact CB-CB 4.23Å; D720-L723 HydrophobicContact CB-CD1 4.18Å; D720-L723 HydrophobicContact CB-CG 4.23Å; D720-L723 PolarHBondContact O-N 3Å; D720-L723 PolarHBondContact OD1-N 3.31Å; L723-T725 PolarHBondContact O-N 2.74Å; L723-A726 PolarHBondContact O-N 3.44Å; L723-F727 WeakPolarHBondContact O-CD2 3.32Å; L723-F727 PolarHBondContact O-N 2.89Å; L723-I733 HydrophobicContact CD2-CD1 3.84Å; L723-I733 HydrophobicContact CD2-CG1 4.27Å; L723-Y795 HydrophobicContact CD2-CD1 3.84Å; L723-Y795 HydrophobicContact CD2-CE1 3.75Å; L723-Y795 HydrophobicContact CD2-CE2 4.49Å; L723-Y795 HydrophobicContact CD2-CG 4.25Å; L723-Y795 HydrophobicContact CG-CD1 3.73Å; L723-Y795 HydrophobicContact CG-CE1 4.08Å; L723-Y795 HydrophobicContact CG-CG 4.2Å; L723-V798 HydrophobicContact CD1-CG2 3.52Å
724L94.2Very high92Very high36 Ų3646.1 Ų46.119%0.18825%0.254CS..Hα-helixtrans-58.2-48.6178.6-69.7177000111.2A715 D720 F727 A728 D911 V912A715-L724 HydrophobicContact CB-CD2 4.18Å; A715-L724 WeakPolarHBondContact O-CD2 3.33Å; D720-L724 WeakPolarHBondContact O-CB 3.41Å; D720-L724 WeakPolarHBondContact O-CG 3.35Å; D720-L724 PolarHBondContact O-N 3.45Å; L724-F727 PolarHBondContact O-N 3.43Å; L724-A728 VanDerWaalsContact O-CB 3.3Å; L724-A728 WeakPolarHBondContact O-CB 3.38Å; L724-A728 PolarHBondContact O-N 3Å; L724-D911 HydrophobicContact CD2-CB 3.66Å; L724-V912 HydrophobicContact CB-CG1 4.46Å; L724-V912 HydrophobicContact CD2-CG1 3.55Å
725T91.8Very high92Very high67 Ų6749.5 Ų49.541%0.41127%0.266SS..Hα-helixtrans-63.1-44.3177.3-65.70000111.6K721 L723 F727 A728 E729K721-T725 VanDerWaalsContact O-CB 3.29Å; K721-T725 WeakPolarHBondContact O-CB 3.45Å; K721-T725 PolarHBondContact O-N 3.44Å; K721-T725 PolarHBondContact O-OG1 3.42Å; L723-T725 PolarHBondContact O-N 2.74Å; T725-F727 VanDerWaalsContact C-N 3.32Å; T725-F727 PolarHBondContact O-N 2.78Å; T725-A728 PolarHBondContact O-N 3.22Å; T725-E729 HydrophobicContact CG2-CG 4.24Å; T725-E729 WeakPolarHBondContact CG2-OE1 3.34Å; T725-E729 WeakPolarHBondContact O-CB 3.32Å; T725-E729 WeakPolarHBondContact O-CG 3.3Å; T725-E729 PolarHBondContact O-N 2.83Å
726A89.6Confident91.7Very high7 Ų749.9 Ų49.96%0.05827%0.27CS..Hα-helixtrans-60.2-41.6179.800000112.4G722 L723 G730 K731 I733G722-A726 VanDerWaalsContact O-CB 3.31Å; G722-A726 WeakPolarHBondContact O-CB 3.22Å; G722-A726 PolarHBondContact O-N 3.46Å; L723-A726 PolarHBondContact O-N 3.44Å; A726-G730 PolarHBondContact O-N 3.42Å; A726-K731 WeakPolarHBondContact O-CB 3.42Å; A726-K731 PolarHBondContact O-N 3.21Å; A726-I733 HydrophobicContact CB-CD1 3.53Å
727F91.7Very high91.3Very high9 Ų948.4 Ų48.44%0.03926%0.263CS..Hα-helixtrans-70.7-42175.1-84.2-64.1000113.2L711 R712 A715 L723 L724 T725 E729 G730 I733 V912L711-F727 HydrophobicContact CB-CE2 4.16Å; L711-F727 HydrophobicContact CB-CZ 3.68Å; R712-F727 HydrophobicContact CG-CD1 3.95Å; R712-F727 HydrophobicContact CG-CE1 3.69Å; R712-F727 HydrophobicContact CG-CE2 4.43Å; R712-F727 HydrophobicContact CG-CG 4.44Å; R712-F727 HydrophobicContact CG-CZ 3.97Å; A715-F727 HydrophobicContact CB-CD2 3.88Å; A715-F727 HydrophobicContact CB-CE2 4.14Å; L723-F727 WeakPolarHBondContact O-CD2 3.32Å; L723-F727 PolarHBondContact O-N 2.89Å; L724-F727 PolarHBondContact O-N 3.43Å; T725-F727 VanDerWaalsContact C-N 3.32Å; T725-F727 PolarHBondContact O-N 2.78Å; F727-E729 PolarHBondContact O-N 2.87Å; F727-G730 PolarHBondContact O-N 3.37Å; F727-G730 VanDerWaalsContact O-N 3.09Å; F727-I733 HydrophobicContact CD2-CD1 4.25Å; F727-I733 HydrophobicContact CE1-CB 4.45Å; F727-I733 HydrophobicContact CE2-CD1 3.97Å; F727-I733 HydrophobicContact CE2-CG1 3.98Å; F727-I733 HydrophobicContact CZ-CB 4.09Å; F727-I733 HydrophobicContact CZ-CD1 4.33Å; F727-I733 HydrophobicContact CZ-CG1 3.96Å; F727-I733 HydrophobicContact CZ-CG2 4.27Å; F727-V912 HydrophobicContact CB-CB 3.89Å; F727-V912 HydrophobicContact CB-CG1 3.55Å; F727-V912 HydrophobicContact CD2-CG1 4.38Å; F727-V912 HydrophobicContact CG-CB 4.48Å; F727-V912 HydrophobicContact CG-CG1 4.28Å
728A90.1Very high91.1Very high72 Ų7247.2 Ų47.260%0.59526%0.256SS*.Hα-helixtrans-62.6-32.4178.500000112.5L724 T725 G730L724-A728 VanDerWaalsContact O-CB 3.3Å; L724-A728 WeakPolarHBondContact O-CB 3.38Å; L724-A728 PolarHBondContact O-N 3Å; T725-A728 PolarHBondContact O-N 3.22Å; A728-G730 VanDerWaalsContact C-N 3.32Å
729E91Very high90.8Very high114 Ų11447.2 Ų47.253%0.53326%0.257SS..THydrogen-bonded Turntrans-85.60.9176.6-67.5176.7171.700113.6T725 F727 K731T725-E729 HydrophobicContact CG2-CG 4.24Å; T725-E729 WeakPolarHBondContact CG2-OE1 3.34Å; T725-E729 WeakPolarHBondContact O-CB 3.32Å; T725-E729 WeakPolarHBondContact O-CG 3.3Å; T725-E729 PolarHBondContact O-N 2.83Å; F727-E729 PolarHBondContact O-N 2.87Å; E729-K731 VanDerWaalsContact C-N 3.28Å; E729-K731 HydrophobicContact CB-CD 4.42Å; E729-K731 HydrophobicContact CB-CG 4.19Å; E729-K731 PolarHBondContact O-N 2.95Å; E729-K731 WeakPolarHBondContact OE2-CE 3.47Å; E729-K731 IonicContact OE2-NZ 2.61Å; E729-K731 PolarHBondContact OE2-NZ 2.96Å
730G88.2Confident90.3Very high68 Ų6843.1 Ų43.170%0.70125%0.246SC*.THydrogen-bonded Turntrans67.424.2179.800000114.3A726 F727 A728A726-G730 PolarHBondContact O-N 3.42Å; F727-G730 PolarHBondContact O-N 3.37Å; F727-G730 VanDerWaalsContact O-N 3.09Å; A728-G730 VanDerWaalsContact C-N 3.32Å
731K87.9Confident89.8Confident92 Ų9243.2 Ų43.240%0.425%0.246SC..  trans-72.5147.1179.1-68.1174.9168.3161.70110.9A726 E729 I733A726-K731 WeakPolarHBondContact O-CB 3.42Å; A726-K731 PolarHBondContact O-N 3.21Å; E729-K731 VanDerWaalsContact C-N 3.28Å; E729-K731 HydrophobicContact CB-CD 4.42Å; E729-K731 HydrophobicContact CB-CG 4.19Å; E729-K731 PolarHBondContact O-N 2.95Å; E729-K731 WeakPolarHBondContact OE2-CE 3.47Å; E729-K731 IonicContact OE2-NZ 2.61Å; E729-K731 PolarHBondContact OE2-NZ 2.96Å; K731-I733 PolarHBondContact O-N 3.07Å
732D89.4Confident89.5Confident47 Ų4737.4 Ų37.425%0.25122%0.221SC..  trans-63.8107.7164.1178.4-35.2000108.7H734 R735 A736 R754D732-H734 PolarHBondContact O-N 2.97Å; D732-H734 WeakPolarHBondContact OD1-CA 3.4Å; D732-H734 WeakPolarHBondContact OD1-CB 3.32Å; D732-H734 PolarHBondContact OD1-N 2.83Å; D732-R735 HydrophobicContact CB-CB 4.02Å; D732-R735 HydrophobicContact CB-CG 4.18Å; D732-R735 PolarHBondContact O-N 2.91Å; D732-R735 VanDerWaalsContact O-N 3.15Å; D732-R735 PolarHBondContact OD1-N 3.28Å; D732-A736 WeakPolarHBondContact O-CB 3.18Å; D732-A736 PolarHBondContact O-N 2.89Å; D732-R754 IonicContact OD1-NE 2.68Å; D732-R754 IonicContact OD1-NH2 3.72Å; D732-R754 IonicContact OD2-CZ 3.59Å; D732-R754 IonicContact OD2-NE 3.79Å; D732-R754 PolarHBondContact OD2-NE 2.95Å; D732-R754 IonicContact OD2-NH2 2.7Å; D732-R754 PolarHBondContact OD2-NH2 3.34Å
733I89.5Confident89.2Confident0 Ų038.8 Ų38.80%024%0.236CC..Hα-helixtrans-62.2-31.5-173-161.163.9000112.6L711 L723 A726 F727 K731 T737L711-I733 HydrophobicContact CD1-CG2 3.97Å; L723-I733 HydrophobicContact CD2-CD1 3.84Å; L723-I733 HydrophobicContact CD2-CG1 4.27Å; A726-I733 HydrophobicContact CB-CD1 3.53Å; F727-I733 HydrophobicContact CD2-CD1 4.25Å; F727-I733 HydrophobicContact CE1-CB 4.45Å; F727-I733 HydrophobicContact CE2-CD1 3.97Å; F727-I733 HydrophobicContact CE2-CG1 3.98Å; F727-I733 HydrophobicContact CZ-CB 4.09Å; F727-I733 HydrophobicContact CZ-CD1 4.33Å; F727-I733 HydrophobicContact CZ-CG1 3.96Å; F727-I733 HydrophobicContact CZ-CG2 4.27Å; K731-I733 PolarHBondContact O-N 3.07Å; I733-T737 VanDerWaalsContact O-CB 3.3Å; I733-T737 WeakPolarHBondContact O-CB 3.44Å; I733-T737 PolarHBondContact O-N 3.4Å; I733-T737 PolarHBondContact O-OG1 3.4Å
734H92.1Very high89.1Confident4 Ų441.7 Ų41.72%0.01925%0.251CS..Hα-helixtrans-75-38.4178.9-59.4-49.7000111.1D732 A738 R754 A757 K758 N761 F762D732-H734 PolarHBondContact O-N 2.97Å; D732-H734 WeakPolarHBondContact OD1-CA 3.4Å; D732-H734 WeakPolarHBondContact OD1-CB 3.32Å; D732-H734 PolarHBondContact OD1-N 2.83Å; H734-A738 WeakPolarHBondContact O-CB 3.48Å; H734-A738 PolarHBondContact O-N 2.9Å; H734-R754 HydrophobicContact CB-CG 3.88Å; H734-A757 WeakPolarHBondContact O-CB 3.13Å; H734-K758 HydrophobicContact CB-CB 4.4Å; H734-K758 WeakPolarHBondContact ND1-CA 3.31Å; H734-N761 PolarHBondContact ND1-ND2 3.37Å; H734-N761 VanDerWaalsContact ND1-ND2 3.12Å; H734-F762 AromaticContact CE1-CE2 3.63Å; H734-F762 AromaticContact NE2-CE2 3.82Å
735R92.4Very high88.8Confident71 Ų7143.8 Ų43.827%0.26827%0.266SS..Hα-helixtrans-66.7-41.4171.2-73.3-177.8163.1-83.8-3.8111.4D732 A738 A739 L746 V749 R754D732-R735 HydrophobicContact CB-CB 4.02Å; D732-R735 HydrophobicContact CB-CG 4.18Å; D732-R735 PolarHBondContact O-N 2.91Å; D732-R735 VanDerWaalsContact O-N 3.15Å; D732-R735 PolarHBondContact OD1-N 3.28Å; R735-A738 WeakPolarHBondContact O-CB 3.42Å; R735-A738 PolarHBondContact O-N 3.44Å; R735-A739 WeakPolarHBondContact O-CB 3.4Å; R735-A739 PolarHBondContact O-N 3.11Å; R735-L746 VanDerWaalsContact C-CD1 3.46Å; R735-L746 HydrophobicContact CB-CD1 3.76Å; R735-V749 HydrophobicContact CB-CG1 4.49Å; R735-V749 HydrophobicContact CG-CG1 4.27Å; R735-V749 PolarHBondContact NH1-O 3.31Å; R735-R754 HydrophobicContact CG-CB 4.24Å; R735-R754 HydrophobicContact CG-CG 3.82Å
736A88.2Confident88.5Confident9 Ų943 Ų437%0.07426%0.26CS..Hα-helixtrans-61.2-46.8175.400000111D732 A738 A739 E740 L746D732-A736 WeakPolarHBondContact O-CB 3.18Å; D732-A736 PolarHBondContact O-N 2.89Å; A736-A738 VanDerWaalsContact C-N 3.33Å; A736-A738 PolarHBondContact O-N 3.49Å; A736-A739 WeakPolarHBondContact O-CB 3.41Å; A736-A739 PolarHBondContact O-N 3Å; A736-E740 WeakPolarHBondContact O-CG 3.35Å; A736-E740 PolarHBondContact O-N 3.49Å; A736-L746 HydrophobicContact CB-CD1 4.36Å
737T88.7Confident88.5Confident0 Ų050.1 Ų50.10%029%0.292CS..Hα-helixtrans-59.4-43.9174.8-58.20000111.2I733 E740 V741 A757 N761 Y791 Y795I733-T737 VanDerWaalsContact O-CB 3.3Å; I733-T737 WeakPolarHBondContact O-CB 3.44Å; I733-T737 PolarHBondContact O-N 3.4Å; I733-T737 PolarHBondContact O-OG1 3.4Å; T737-E740 PolarHBondContact O-N 3.29Å; T737-V741 HydrophobicContact CG2-CG2 4.04Å; T737-V741 WeakPolarHBondContact O-CB 3.25Å; T737-V741 VanDerWaalsContact O-CG2 3.25Å; T737-V741 WeakPolarHBondContact O-CG2 3.25Å; T737-V741 PolarHBondContact O-N 3.34Å; T737-A757 HydrophobicContact CG2-CB 4Å; T737-N761 WeakPolarHBondContact CG2-OD1 3.41Å; T737-N761 PolarHBondContact OG1-ND2 2.91Å; T737-N761 PolarHBondContact OG1-OD1 2.84Å; T737-Y791 HydrophobicContact CG2-CD2 3.85Å; T737-Y791 HydrophobicContact CG2-CE2 3.91Å; T737-Y795 HydrophobicContact CG2-CE2 4.3Å
738A89.6Confident88.5Confident0 Ų053.3 Ų53.30%031%0.312CS..Hα-helixtrans-61.9-46.4176.700000111.8H734 R735 A736 E740 V741 F742 V749 Q753 A757H734-A738 WeakPolarHBondContact O-CB 3.48Å; H734-A738 PolarHBondContact O-N 2.9Å; R735-A738 WeakPolarHBondContact O-CB 3.42Å; R735-A738 PolarHBondContact O-N 3.44Å; A736-A738 VanDerWaalsContact C-N 3.33Å; A736-A738 PolarHBondContact O-N 3.49Å; A738-E740 VanDerWaalsContact C-N 3.29Å; A738-E740 PolarHBondContact O-N 2.98Å; A738-V741 PolarHBondContact O-N 2.98Å; A738-F742 HydrophobicContact CB-CD2 3.88Å; A738-F742 HydrophobicContact CB-CE2 4.05Å; A738-F742 VanDerWaalsContact O-CB 3.27Å; A738-F742 WeakPolarHBondContact O-CB 3.5Å; A738-F742 WeakPolarHBondContact O-CD2 3.45Å; A738-F742 PolarHBondContact O-N 3.43Å; A738-V749 HydrophobicContact CB-CG1 3.52Å; A738-V749 HydrophobicContact CB-CG2 4.13Å; A738-Q753 HydrophobicContact CB-CB 4.33Å; A738-A757 HydrophobicContact CB-CB 3.66Å
739A89.5Confident88.5Confident10 Ų1050.2 Ų50.28%0.08329%0.285CS..Hα-helixtrans-55.7-45.6177.100000111.4R735 A736 G743 L744 L746 V749R735-A739 WeakPolarHBondContact O-CB 3.4Å; R735-A739 PolarHBondContact O-N 3.11Å; A736-A739 WeakPolarHBondContact O-CB 3.41Å; A736-A739 PolarHBondContact O-N 3Å; A739-G743 CarbonylContact O-C 3.55Å; A739-G743 VanDerWaalsContact O-CA 3.3Å; A739-G743 WeakPolarHBondContact O-CA 3.33Å; A739-G743 PolarHBondContact O-N 2.87Å; A739-L744 WeakPolarHBondContact CA-O 3.01Å; A739-L744 WeakPolarHBondContact CB-O 3.46Å; A739-L744 PolarHBondContact O-N 3.21Å; A739-L746 HydrophobicContact CB-CD1 4.14Å; A739-V749 HydrophobicContact CB-CG2 3.94Å
740E84.7Confident88.5Confident87 Ų8748 Ų4841%0.40728%0.28SS..Hα-helixtrans-71-43.5-179.4-68.3-61.4156.300113.5A736 T737 A738 R794A736-E740 WeakPolarHBondContact O-CG 3.35Å; A736-E740 PolarHBondContact O-N 3.49Å; T737-E740 PolarHBondContact O-N 3.29Å; A738-E740 VanDerWaalsContact C-N 3.29Å; A738-E740 PolarHBondContact O-N 2.98Å; E740-R794 HydrophobicContact CB-CB 4.42Å; E740-R794 HydrophobicContact CB-CG 4.08Å; E740-R794 WeakPolarHBondContact OE2-CD 3.32Å; E740-R794 IonicContact OE2-NE 3.49Å; E740-R794 PolarHBondContact OE2-NE 3.28Å
741V84.1Confident88.6Confident7 Ų749 Ų494%0.04228%0.276CS..Hα-helixtrans-74.6-37.7-178.2172.70000111.6T737 A738 I760 Y787 L790 Y791T737-V741 HydrophobicContact CG2-CG2 4.04Å; T737-V741 WeakPolarHBondContact O-CB 3.25Å; T737-V741 VanDerWaalsContact O-CG2 3.25Å; T737-V741 WeakPolarHBondContact O-CG2 3.25Å; T737-V741 PolarHBondContact O-N 3.34Å; A738-V741 PolarHBondContact O-N 2.98Å; V741-I760 HydrophobicContact CG1-CD1 4.43Å; V741-Y787 HydrophobicContact CG1-CD1 3.83Å; V741-Y787 HydrophobicContact CG1-CG 4.32Å; V741-L790 HydrophobicContact CG1-CB 4.46Å; V741-Y791 HydrophobicContact CG2-CD2 4.48Å
742F85.8Confident88.5Confident51 Ų5151.7 Ų51.722%0.22429%0.29CS..Hα-helixtrans-91.6-7.6179.8-59.6-66000113.4A738 L744 Q753 Y787A738-F742 HydrophobicContact CB-CD2 3.88Å; A738-F742 HydrophobicContact CB-CE2 4.05Å; A738-F742 VanDerWaalsContact O-CB 3.27Å; A738-F742 WeakPolarHBondContact O-CB 3.5Å; A738-F742 WeakPolarHBondContact O-CD2 3.45Å; A738-F742 PolarHBondContact O-N 3.43Å; F742-L744 HydrophobicContact CB-CD1 3.83Å; F742-L744 HydrophobicContact CB-CG 4.09Å; F742-Q753 HydrophobicContact CD2-CB 3.94Å; F742-Q753 HydrophobicContact CD2-CG 3.99Å; F742-Q753 HydrophobicContact CE2-CB 3.77Å; F742-Q753 HydrophobicContact CE2-CG 3.98Å; F742-Q753 HydrophobicContact CZ-CG 4.44Å; F742-Y787 HydrophobicContact CD1-CE1 4.2Å; F742-Y787 HydrophobicContact CE1-CD1 4.42Å; F742-Y787 AromaticContact CE1-CE1 3.7Å; F742-Y787 HydrophobicContact CE1-CE1 3.7Å; F742-Y787 HydrophobicContact CE1-CE2 4.39Å; F742-Y787 AromaticContact CE1-CZ 3.71Å
743G84.2Confident88.5Confident63 Ų6351.5 Ų51.565%0.64929%0.288SS*.THydrogen-bonded Turntrans67.640.1179.400000113.4A739A739-G743 CarbonylContact O-C 3.55Å; A739-G743 VanDerWaalsContact O-CA 3.3Å; A739-G743 WeakPolarHBondContact O-CA 3.33Å; A739-G743 PolarHBondContact O-N 2.87Å
744L88.4Confident88.6Confident61 Ų6155.6 Ų55.632%0.31930%0.303SS..  trans-120.5148.2-173.5-64.9172.6000111.1A739 F742A739-L744 WeakPolarHBondContact CA-O 3.01Å; A739-L744 WeakPolarHBondContact CB-O 3.46Å; A739-L744 PolarHBondContact O-N 3.21Å; F742-L744 HydrophobicContact CB-CD1 3.83Å; F742-L744 HydrophobicContact CB-CG 4.09Å
745P86.9Confident88.3Confident80 Ų8064.4 Ų64.452%0.51934%0.336SS..  trans-56.1141.5166-22.532000111.6E747 T748P745-E747 PolarHBondContact O-N 2.78Å; P745-E747 VanDerWaalsContact O-N 3.08Å; P745-T748 HydrophobicContact CB-CG2 4.16Å; P745-T748 WeakPolarHBondContact CD-OG1 3.41Å; P745-T748 HydrophobicContact CG-CG2 4.34Å; P745-T748 PolarHBondContact O-N 3Å; P745-T748 PolarHBondContact O-OG1 2.84Å
746L86.8Confident88Confident52 Ų5262.3 Ų62.327%0.27233%0.332SS..G310 helixtrans-54.2-34.6-173.9-174.169.1000113.3R735 A736 A739 T748 V749R735-L746 VanDerWaalsContact C-CD1 3.46Å; R735-L746 HydrophobicContact CB-CD1 3.76Å; A736-L746 HydrophobicContact CB-CD1 4.36Å; A739-L746 HydrophobicContact CB-CD1 4.14Å; L746-T748 VanDerWaalsContact C-N 3.29Å; L746-T748 PolarHBondContact O-N 2.84Å; L746-V749 WeakPolarHBondContact O-CB 3.24Å; L746-V749 PolarHBondContact O-N 3.01Å
747E89.8Confident88Confident156 Ų15661.9 Ų61.973%0.72933%0.329SS*.G310 helixtrans-74.2-23-176.9-57.669.5-156.800111.7P745P745-E747 PolarHBondContact O-N 2.78Å; P745-E747 VanDerWaalsContact O-N 3.08Å
748T91.3Very high88.1Confident76 Ų7666.6 Ų66.647%0.46635%0.35SS..G310 helixtrans-93.3-6-179.7660000113.2P745 L746 T750P745-T748 HydrophobicContact CB-CG2 4.16Å; P745-T748 WeakPolarHBondContact CD-OG1 3.41Å; P745-T748 HydrophobicContact CG-CG2 4.34Å; P745-T748 PolarHBondContact O-N 3Å; P745-T748 PolarHBondContact O-OG1 2.84Å; L746-T748 VanDerWaalsContact C-N 3.29Å; L746-T748 PolarHBondContact O-N 2.84Å; T748-T750 PolarHBondContact O-N 3.48Å
749V90.3Very high87.9Confident6 Ų667 Ų674%0.03635%0.353CS..  trans-63.4121.8178.2173.20000110.2R735 A738 A739 L746 Q753 R754R735-V749 HydrophobicContact CB-CG1 4.49Å; R735-V749 HydrophobicContact CG-CG1 4.27Å; R735-V749 PolarHBondContact NH1-O 3.31Å; A738-V749 HydrophobicContact CB-CG1 3.52Å; A738-V749 HydrophobicContact CB-CG2 4.13Å; A739-V749 HydrophobicContact CB-CG2 3.94Å; L746-V749 WeakPolarHBondContact O-CB 3.24Å; L746-V749 PolarHBondContact O-N 3.01Å; V749-Q753 HydrophobicContact CG1-CB 4.07Å; V749-R754 HydrophobicContact CG1-CB 4.29Å
750T91.4Very high87.8Confident68 Ų6866.6 Ų66.642%0.41735%0.349SS..  trans-76.8160.6177.373.90000111.6T748 E752 Q753 R754T748-T750 PolarHBondContact O-N 3.48Å; T750-E752 PolarHBondContact O-N 2.96Å; T750-Q753 PolarHBondContact O-N 2.85Å; T750-Q753 WeakPolarHBondContact OG1-CG 3.23Å; T750-Q753 PolarHBondContact OG1-N 2.92Å; T750-Q753 PolarHBondContact OG1-OE1 3.37Å; T750-R754 PolarHBondContact O-N 2.94Å
751S89.3Confident87.9Confident89 Ų8962.4 Ų62.462%0.62233%0.33SS*.Hα-helixtrans-61.1-31.5175.4-58.80000112.9R755S751-R755 WeakPolarHBondContact O-CB 3.25Å; S751-R755 PolarHBondContact O-N 2.86Å; S751-R755 VanDerWaalsContact O-N 3.09Å
752E86.8Confident87.8Confident148 Ų14864.5 Ų64.569%0.69234%0.338SS*.Hα-helixtrans-69.4-47.1175.2-173-177.9-177.400111.1T750 R754 R755 S756T750-E752 PolarHBondContact O-N 2.96Å; E752-R754 VanDerWaalsContact C-N 3.33Å; E752-R754 PolarHBondContact O-N 3.44Å; E752-R755 WeakPolarHBondContact O-CA 3.34Å; E752-R755 VanDerWaalsContact O-CB 3.31Å; E752-R755 WeakPolarHBondContact O-CB 3.24Å; E752-R755 PolarHBondContact O-N 3.47Å; E752-S756 PolarHBondContact O-N 2.82Å; E752-S756 PolarHBondContact O-OG 3.31Å
753Q89.6Confident87.5Confident43 Ų4362.2 Ų62.220%0.20133%0.329CS..Hα-helixtrans-61.1-41.5176.1-73.6168.4-2500112.1A738 F742 V749 T750 R755 S756 A757A738-Q753 HydrophobicContact CB-CB 4.33Å; F742-Q753 HydrophobicContact CD2-CB 3.94Å; F742-Q753 HydrophobicContact CD2-CG 3.99Å; F742-Q753 HydrophobicContact CE2-CB 3.77Å; F742-Q753 HydrophobicContact CE2-CG 3.98Å; F742-Q753 HydrophobicContact CZ-CG 4.44Å; V749-Q753 HydrophobicContact CG1-CB 4.07Å; T750-Q753 PolarHBondContact O-N 2.85Å; T750-Q753 WeakPolarHBondContact OG1-CG 3.23Å; T750-Q753 PolarHBondContact OG1-N 2.92Å; T750-Q753 PolarHBondContact OG1-OE1 3.37Å; Q753-R755 VanDerWaalsContact C-N 3.29Å; Q753-R755 PolarHBondContact O-N 3.01Å; Q753-S756 PolarHBondContact O-N 3.45Å; Q753-A757 WeakPolarHBondContact O-CB 3.36Å; Q753-A757 PolarHBondContact O-N 3.12Å
754R91.6Very high87.3Confident86 Ų8659.3 Ų59.333%0.32530%0.299SS..Hα-helixtrans-58.6-41.2172-176.4-172.1-179.1-98.61.5111.6D732 H734 R735 V749 T750 E752 A757 K758D732-R754 IonicContact OD1-NE 2.68Å; D732-R754 IonicContact OD1-NH2 3.72Å; D732-R754 IonicContact OD2-CZ 3.59Å; D732-R754 IonicContact OD2-NE 3.79Å; D732-R754 PolarHBondContact OD2-NE 2.95Å; D732-R754 IonicContact OD2-NH2 2.7Å; D732-R754 PolarHBondContact OD2-NH2 3.34Å; H734-R754 HydrophobicContact CB-CG 3.88Å; R735-R754 HydrophobicContact CG-CB 4.24Å; R735-R754 HydrophobicContact CG-CG 3.82Å; V749-R754 HydrophobicContact CG1-CB 4.29Å; T750-R754 PolarHBondContact O-N 2.94Å; E752-R754 VanDerWaalsContact C-N 3.33Å; E752-R754 PolarHBondContact O-N 3.44Å; R754-A757 PolarHBondContact O-N 3.07Å; R754-K758 WeakPolarHBondContact O-CB 3.4Å; R754-K758 PolarHBondContact O-N 3.46Å
755R85.9Confident86.7Confident189 Ų18956.5 Ų56.571%0.71328%0.284SS*.Hα-helixtrans-65.5-42.7177-172.4-172.5-59.8-174.60.4111.4S751 E752 Q753 K758 A759S751-R755 WeakPolarHBondContact O-CB 3.25Å; S751-R755 PolarHBondContact O-N 2.86Å; S751-R755 VanDerWaalsContact O-N 3.09Å; E752-R755 WeakPolarHBondContact O-CA 3.34Å; E752-R755 VanDerWaalsContact O-CB 3.31Å; E752-R755 WeakPolarHBondContact O-CB 3.24Å; E752-R755 PolarHBondContact O-N 3.47Å; Q753-R755 VanDerWaalsContact C-N 3.29Å; Q753-R755 PolarHBondContact O-N 3.01Å; R755-K758 WeakPolarHBondContact O-CB 3.29Å; R755-K758 PolarHBondContact O-N 3.43Å; R755-A759 PolarHBondContact O-N 3.11Å
756S85.3Confident86.1Confident27 Ų2756.5 Ų56.519%0.18927%0.274CS..Hα-helixtrans-63-45.2175.4-60.80000111.5E752 Q753 K758 A759 I760E752-S756 PolarHBondContact O-N 2.82Å; E752-S756 PolarHBondContact O-OG 3.31Å; Q753-S756 PolarHBondContact O-N 3.45Å; S756-K758 VanDerWaalsContact C-N 3.31Å; S756-K758 PolarHBondContact O-N 2.87Å; S756-A759 WeakPolarHBondContact O-CB 3.42Å; S756-A759 PolarHBondContact O-N 3.13Å; S756-A759 VanDerWaalsContact O-N 3.11Å; S756-I760 WeakPolarHBondContact O-CG1 3.47Å; S756-I760 PolarHBondContact O-N 2.9Å
757A88.6Confident85.5Confident0 Ų054.6 Ų54.60%027%0.267CS..Hα-helixtrans-63.6-34.4174.800000113H734 T737 A738 Q753 R754 I760 N761H734-A757 WeakPolarHBondContact O-CB 3.13Å; T737-A757 HydrophobicContact CG2-CB 4Å; A738-A757 HydrophobicContact CB-CB 3.66Å; Q753-A757 WeakPolarHBondContact O-CB 3.36Å; Q753-A757 PolarHBondContact O-N 3.12Å; R754-A757 PolarHBondContact O-N 3.07Å; A757-I760 PolarHBondContact O-N 3.08Å; A757-N761 WeakPolarHBondContact O-CB 3.21Å; A757-N761 PolarHBondContact O-N 3.17Å
758K89.6Confident85Confident100 Ų10049.6 Ų49.644%0.43524%0.244SC..Hα-helixtrans-59.5-48.5169.3-179.2172.8-175.61760111.2H734 R754 R755 S756 I760 N761 F762H734-K758 HydrophobicContact CB-CB 4.4Å; H734-K758 WeakPolarHBondContact ND1-CA 3.31Å; R754-K758 WeakPolarHBondContact O-CB 3.4Å; R754-K758 PolarHBondContact O-N 3.46Å; R755-K758 WeakPolarHBondContact O-CB 3.29Å; R755-K758 PolarHBondContact O-N 3.43Å; S756-K758 VanDerWaalsContact C-N 3.31Å; S756-K758 PolarHBondContact O-N 2.87Å; K758-I760 VanDerWaalsContact C-N 3.31Å; K758-I760 PolarHBondContact O-N 2.9Å; K758-N761 PolarHBondContact O-N 2.81Å; K758-F762 HydrophobicContact CD-CE2 4.37Å; K758-F762 HydrophobicContact CG-CD2 3.69Å; K758-F762 HydrophobicContact CG-CE2 3.81Å; K758-F762 VanDerWaalsContact O-CD2 3.29Å; K758-F762 WeakPolarHBondContact O-CD2 3.22Å; K758-F762 PolarHBondContact O-N 2.94Å
759A85.9Confident84.5Confident9 Ų948.8 Ų48.87%0.07424%0.241CC..Hα-helixtrans-62.7-36.8176.500000112.6R755 S756 G763 Q776 L777R755-A759 PolarHBondContact O-N 3.11Å; S756-A759 WeakPolarHBondContact O-CB 3.42Å; S756-A759 PolarHBondContact O-N 3.13Å; S756-A759 VanDerWaalsContact O-N 3.11Å; A759-G763 WeakPolarHBondContact O-CA 3.36Å; A759-G763 PolarHBondContact O-N 3.21Å; A759-Q776 HydrophobicContact CB-CG 4.28Å; A759-L777 HydrophobicContact CB-CD2 3.74Å; A759-L777 HydrophobicContact CB-CG 4.5Å
760I86.8Confident84.2Confident0 Ų048.7 Ų48.70%024%0.242CC..Hα-helixtrans-64.1-52.4174.1-66.1163.4000110.5V741 S756 A757 K758 F762 G763 L764 L773 L777 Y787 Y791V741-I760 HydrophobicContact CG1-CD1 4.43Å; S756-I760 WeakPolarHBondContact O-CG1 3.47Å; S756-I760 PolarHBondContact O-N 2.9Å; A757-I760 PolarHBondContact O-N 3.08Å; K758-I760 VanDerWaalsContact C-N 3.31Å; K758-I760 PolarHBondContact O-N 2.9Å; I760-F762 PolarHBondContact O-N 2.97Å; I760-G763 PolarHBondContact O-N 3.21Å; I760-L764 HydrophobicContact CG2-CD1 3.65Å; I760-L764 HydrophobicContact CG2-CG 4.24Å; I760-L764 WeakPolarHBondContact O-CB 3.5Å; I760-L764 VanDerWaalsContact O-CG 3.29Å; I760-L764 WeakPolarHBondContact O-CG 3.49Å; I760-L764 PolarHBondContact O-N 2.93Å; I760-L773 HydrophobicContact CG1-CD1 4.03Å; I760-L773 HydrophobicContact CG1-CD2 4.13Å; I760-L777 HydrophobicContact CG1-CD1 4.26Å; I760-Y787 HydrophobicContact CD1-CD2 4.33Å; I760-Y787 HydrophobicContact CD1-CG 4.26Å; I760-Y791 HydrophobicContact CG2-CD2 3.92Å; I760-Y791 HydrophobicContact CG2-CG 4.27Å
761N87.6Confident83.9Confident0 Ų052 Ų520%025%0.25CS..Hα-helixtrans-53.8-55.9179.1-84.1-8.4000111.7L711 H734 T737 A757 K758 L764 I765 Y791L711-N761 HydrophobicContact CD2-CB 4.13Å; H734-N761 PolarHBondContact ND1-ND2 3.37Å; H734-N761 VanDerWaalsContact ND1-ND2 3.12Å; T737-N761 WeakPolarHBondContact CG2-OD1 3.41Å; T737-N761 PolarHBondContact OG1-ND2 2.91Å; T737-N761 PolarHBondContact OG1-OD1 2.84Å; A757-N761 WeakPolarHBondContact O-CB 3.21Å; A757-N761 PolarHBondContact O-N 3.17Å; K758-N761 PolarHBondContact O-N 2.81Å; N761-L764 PolarHBondContact O-N 3.33Å; N761-I765 WeakPolarHBondContact O-CB 3.38Å; N761-I765 WeakPolarHBondContact O-CD1 3.1Å; N761-I765 WeakPolarHBondContact O-CG1 3.49Å; N761-I765 PolarHBondContact O-N 3.01Å; N761-Y791 WeakPolarHBondContact OD1-CE2 3.24Å
762F82.5Confident83.6Confident51 Ų5148.7 Ų48.722%0.22423%0.23CC..Hα-helixtrans-67.7-38.6179.9-77.2-73.7000111.9L711 H734 K758 I760 L764 Y766L711-F762 HydrophobicContact CD1-CE2 4.24Å; L711-F762 HydrophobicContact CD1-CZ 3.99Å; H734-F762 AromaticContact CE1-CE2 3.63Å; H734-F762 AromaticContact NE2-CE2 3.82Å; K758-F762 HydrophobicContact CD-CE2 4.37Å; K758-F762 HydrophobicContact CG-CD2 3.69Å; K758-F762 HydrophobicContact CG-CE2 3.81Å; K758-F762 VanDerWaalsContact O-CD2 3.29Å; K758-F762 WeakPolarHBondContact O-CD2 3.22Å; K758-F762 PolarHBondContact O-N 2.94Å; I760-F762 PolarHBondContact O-N 2.97Å; F762-L764 PolarHBondContact O-N 3.2Å; F762-Y766 HydrophobicContact CB-CD2 4.27Å; F762-Y766 HydrophobicContact CB-CE2 3.99Å; F762-Y766 AromaticContact CD1-CE2 3.77Å; F762-Y766 HydrophobicContact CD1-CE2 3.77Å; F762-Y766 AromaticContact CD1-CZ 4Å; F762-Y766 HydrophobicContact CG-CE2 4.34Å; F762-Y766 WeakPolarHBondContact O-CB 3.39Å; F762-Y766 WeakPolarHBondContact O-CD2 3.34Å; F762-Y766 VanDerWaalsContact O-CG 3.31Å; F762-Y766 PolarHBondContact O-N 3.36Å
763G80Confident83.5Confident3 Ų341.8 Ų41.83%0.03120%0.198CC..Hα-helixtrans-57.6-48175.800000111.8A759 I760 Y766 G767 M768A759-G763 WeakPolarHBondContact O-CA 3.36Å; A759-G763 PolarHBondContact O-N 3.21Å; I760-G763 PolarHBondContact O-N 3.21Å; G763-Y766 CarbonylContact O-C 3.46Å; G763-Y766 PolarHBondContact O-N 3.37Å; G763-G767 PolarHBondContact O-N 2.96Å; G763-M768 WeakPolarHBondContact O-CA 3.45Å; G763-M768 WeakPolarHBondContact O-CB 3.43Å; G763-M768 PolarHBondContact O-N 3.25Å
764L79Confident83.4Confident2 Ų240.2 Ų40.21%0.0119%0.192CC..Hα-helixtrans-71.4-42.3-178.8-68.7179.4000112.9I760 N761 F762 Y766 G767 M788 Y791 F792I760-L764 HydrophobicContact CG2-CD1 3.65Å; I760-L764 HydrophobicContact CG2-CG 4.24Å; I760-L764 WeakPolarHBondContact O-CB 3.5Å; I760-L764 VanDerWaalsContact O-CG 3.29Å; I760-L764 WeakPolarHBondContact O-CG 3.49Å; I760-L764 PolarHBondContact O-N 2.93Å; N761-L764 PolarHBondContact O-N 3.33Å; F762-L764 PolarHBondContact O-N 3.2Å; L764-Y766 PolarHBondContact O-N 3.31Å; L764-G767 PolarHBondContact O-N 3.22Å; L764-M788 HydrophobicContact CD2-CB 4.37Å; L764-M788 HydrophobicContact CD2-CE 3.43Å; L764-M788 VanDerWaalsContact CD2-CE 3.43Å; L764-M788 HydrophobicContact CD2-CG 3.89Å; L764-M788 HydrophobicContact CD2-SD 4.31Å; L764-Y791 HydrophobicContact CB-CE1 4.42Å; L764-Y791 HydrophobicContact CD1-CD1 3.08Å; L764-Y791 HydrophobicContact CD1-CD2 3.88Å; L764-Y791 HydrophobicContact CD1-CE1 3.52Å; L764-Y791 HydrophobicContact CD1-CE2 4.28Å; L764-Y791 HydrophobicContact CD1-CG 3.25Å; L764-Y791 HydrophobicContact CG-CD1 4.45Å; L764-F792 HydrophobicContact CD1-CZ 4.39Å; L764-F792 HydrophobicContact CD2-CE2 3.99Å; L764-F792 HydrophobicContact CD2-CZ 3.69Å
765I75.4Confident82.9Confident1 Ų142.5 Ų42.51%0.00520%0.201CC..Hα-helixtrans-53.9-41.3171.6-74.7165000110.5L711 M714 N761 G767 N845 M848L711-I765 HydrophobicContact CB-CD1 4.49Å; L711-I765 HydrophobicContact CD2-CD1 3.22Å; L711-I765 HydrophobicContact CD2-CG1 4.5Å; L711-I765 HydrophobicContact CG-CD1 3.53Å; M714-I765 HydrophobicContact CB-CG1 4.33Å; M714-I765 HydrophobicContact CE-CB 4.22Å; M714-I765 HydrophobicContact CE-CG1 3.8Å; M714-I765 HydrophobicContact CE-CG2 4.46Å; M714-I765 HydrophobicContact CG-CG1 4.14Å; N761-I765 WeakPolarHBondContact O-CB 3.38Å; N761-I765 WeakPolarHBondContact O-CD1 3.1Å; N761-I765 WeakPolarHBondContact O-CG1 3.49Å; N761-I765 PolarHBondContact O-N 3.01Å; I765-G767 VanDerWaalsContact C-N 3.29Å; I765-G767 PolarHBondContact O-N 2.88Å; I765-N845 PolarHBondContact O-OD1 3.25Å; I765-M848 HydrophobicContact CG2-CE 3.57Å; I765-M848 HydrophobicContact CG2-SD 3.79Å; I765-M848 WeakPolarHBondContact O-CE 3.21Å
766Y74.8Confident82.6Confident81 Ų8138.8 Ų38.832%0.31819%0.192SC..THydrogen-bonded Turntrans-85.89.5179.7-59.5-47.4000114.8E710 F762 G763 L764 M768 N845E710-Y766 WeakPolarHBondContact OE2-CE1 3.35Å; E710-Y766 VanDerWaalsContact OE2-CZ 3.29Å; E710-Y766 PolarHBondContact OE2-OH 3.16Å; F762-Y766 HydrophobicContact CB-CD2 4.27Å; F762-Y766 HydrophobicContact CB-CE2 3.99Å; F762-Y766 AromaticContact CD1-CE2 3.77Å; F762-Y766 HydrophobicContact CD1-CE2 3.77Å; F762-Y766 AromaticContact CD1-CZ 4Å; F762-Y766 HydrophobicContact CG-CE2 4.34Å; F762-Y766 WeakPolarHBondContact O-CB 3.39Å; F762-Y766 WeakPolarHBondContact O-CD2 3.34Å; F762-Y766 VanDerWaalsContact O-CG 3.31Å; F762-Y766 PolarHBondContact O-N 3.36Å; G763-Y766 CarbonylContact O-C 3.46Å; G763-Y766 PolarHBondContact O-N 3.37Å; L764-Y766 PolarHBondContact O-N 3.31Å; Y766-M768 VanDerWaalsContact C-N 3.27Å; Y766-M768 PolarHBondContact O-N 3.03Å; Y766-N845 VanDerWaalsContact C-ND2 3.34Å; Y766-N845 WeakPolarHBondContact CA-ND2 3.37Å; Y766-N845 WeakPolarHBondContact CA-OD1 3.3Å; Y766-N845 PolarHBondContact O-ND2 3.26Å; Y766-N845 PolarHBondContact O-OD1 3.48Å
767G74.6Confident82.6Confident11 Ų1139 Ų3911%0.11319%0.19CC..THydrogen-bonded Turntrans6627.2179.600000114G763 L764 I765 R841G763-G767 PolarHBondContact O-N 2.96Å; L764-G767 PolarHBondContact O-N 3.22Å; I765-G767 VanDerWaalsContact C-N 3.29Å; I765-G767 PolarHBondContact O-N 2.88Å; G767-R841 VanDerWaalsContact O-CD 3.23Å; G767-R841 WeakPolarHBondContact O-CD 3.4Å; G767-R841 WeakPolarHBondContact O-CG 3.3Å
768M77.8Confident82.3Confident52 Ų5246.2 Ų46.226%0.25623%0.229SC..  trans-62.9139.3177-166.9-175.1-70.100110.7G763 Y766 L773 M788G763-M768 WeakPolarHBondContact O-CA 3.45Å; G763-M768 WeakPolarHBondContact O-CB 3.43Å; G763-M768 PolarHBondContact O-N 3.25Å; Y766-M768 VanDerWaalsContact C-N 3.27Å; Y766-M768 PolarHBondContact O-N 3.03Å; M768-L773 VanDerWaalsContact SD-CA 3.56Å; M768-L773 HydrophobicContact SD-CB 4.03Å; M768-L773 PolarHBondContact SD-N 3.12Å; M768-M788 WeakPolarHBondContact O-CE 3.43Å
769S81.3Confident82.1Confident58 Ų5843.3 Ų43.341%0.40622%0.218SC..  trans-78.8162.4173.4680000111.3F771 G772 L773S769-F771 PolarHBondContact O-N 3.34Å; S769-F771 PolarHBondContact OG-N 3.16Å; S769-G772 WeakPolarHBondContact O-CA 3.09Å; S769-G772 PolarHBondContact O-N 2.76Å; S769-G772 PolarHBondContact OG-N 3.45Å; S769-L773 PolarHBondContact O-N 2.95Å
770A85.4Confident82.3Confident5 Ų546.9 Ų46.94%0.04124%0.24CC..Hα-helixtrans-54.6-28.9172.100000113A774 A784 Q785 M788A770-A774 WeakPolarHBondContact O-CB 3.42Å; A770-A774 PolarHBondContact O-N 2.89Å; A770-A784 WeakPolarHBondContact O-CB 3.26Å; A770-Q785 HydrophobicContact CB-CB 4.12Å; A770-Q785 VanDerWaalsContact CB-OE1 3.25Å; A770-M788 WeakPolarHBondContact CA-SD 3.26Å; A770-M788 HydrophobicContact CB-SD 3.62Å; A770-M788 PolarHBondContact N-SD 2.99Å; A770-M788 VanDerWaalsContact N-SD 3.37Å
771F83.7Confident82.4Confident137 Ų13754.9 Ų54.960%0.60127%0.27SS*.Hα-helixtrans-67.3-44.6173.6179.4-94.5000112.2S769 R775S769-F771 PolarHBondContact O-N 3.34Å; S769-F771 PolarHBondContact OG-N 3.16Å; F771-R775 PolarHBondContact O-N 3.47Å
772G83Confident82.7Confident19 Ų1963.8 Ų63.820%0.19631%0.309CS..Hα-helixtrans-63.4-43.3175.800000111.8S769 R775 Q776S769-G772 WeakPolarHBondContact O-CA 3.09Å; S769-G772 PolarHBondContact O-N 2.76Å; S769-G772 PolarHBondContact OG-N 3.45Å; G772-R775 PolarHBondContact O-N 3.23Å; G772-Q776 PolarHBondContact O-N 3.47Å
773L85.7Confident82.9Confident3 Ų364.8 Ų64.82%0.01632%0.315CS..Hα-helixtrans-66.2-43.6-179.9-17864.4000111.8I760 M768 S769 R775 Q776 L777 A784 M788I760-L773 HydrophobicContact CG1-CD1 4.03Å; I760-L773 HydrophobicContact CG1-CD2 4.13Å; M768-L773 VanDerWaalsContact SD-CA 3.56Å; M768-L773 HydrophobicContact SD-CB 4.03Å; M768-L773 PolarHBondContact SD-N 3.12Å; S769-L773 PolarHBondContact O-N 2.95Å; L773-R775 PolarHBondContact O-N 3.35Å; L773-Q776 PolarHBondContact O-N 3.01Å; L773-L777 HydrophobicContact CD1-CD1 3.72Å; L773-L777 HydrophobicContact CD1-CG 3.99Å; L773-L777 HydrophobicContact CG-CD1 3.9Å; L773-L777 HydrophobicContact CG-CG 4.42Å; L773-L777 WeakPolarHBondContact O-CB 3.36Å; L773-L777 PolarHBondContact O-N 2.73Å; L773-A784 HydrophobicContact CB-CB 4.34Å; L773-A784 HydrophobicContact CD2-CB 4.27Å; L773-A784 HydrophobicContact CG-CB 4.28Å; L773-M788 HydrophobicContact CD2-CG 3.63Å; L773-M788 HydrophobicContact CD2-SD 4.23Å
774A85.8Confident83.4Confident10 Ų1064.7 Ų64.78%0.08331%0.313CS..Hα-helixtrans-54.2-42.8174.900000112A770 N778 I779 R781 A784A770-A774 WeakPolarHBondContact O-CB 3.42Å; A770-A774 PolarHBondContact O-N 2.89Å; A774-N778 WeakPolarHBondContact O-CA 3.46Å; A774-N778 PolarHBondContact O-N 3.17Å; A774-I779 WeakPolarHBondContact CB-O 3.48Å; A774-I779 PolarHBondContact O-N 3.16Å; A774-R781 HydrophobicContact CB-CB 4.44Å; A774-A784 HydrophobicContact CB-CB 3.73Å
775R81.3Confident83.9Confident134 Ų13468.1 Ų68.151%0.50633%0.329SS..Hα-helixtrans-68.3-43.6178.3-166.7178.172154.14.3112.3E612 F771 G772 L773 L777 N778E612-R775 IonicContact OE1-CZ 3.36Å; E612-R775 IonicContact OE1-NH1 2.85Å; E612-R775 PolarHBondContact OE1-NH1 3.46Å; E612-R775 IonicContact OE1-NH2 2.8Å; E612-R775 PolarHBondContact OE1-NH2 3Å; F771-R775 PolarHBondContact O-N 3.47Å; G772-R775 PolarHBondContact O-N 3.23Å; L773-R775 PolarHBondContact O-N 3.35Å; R775-L777 VanDerWaalsContact C-N 3.33Å; R775-L777 PolarHBondContact O-N 2.83Å; R775-N778 PolarHBondContact O-N 3.12Å
776Q80.4Confident84.6Confident112 Ų11274.2 Ų74.252%0.52336%0.356SS..Hα-helixtrans-67.2-34.6-179.9-175.1173.2-11.400112.7A759 G772 L773A759-Q776 HydrophobicContact CB-CG 4.28Å; G772-Q776 PolarHBondContact O-N 3.47Å; L773-Q776 PolarHBondContact O-N 3.01Å
777L84.3Confident85.3Confident31 Ų3172.2 Ų72.216%0.16235%0.348CS..Hα-helixtrans-89.7-8.5178.2-67.1-178.6000113.6A759 I760 L773 R775 I779 Y787A759-L777 HydrophobicContact CB-CD2 3.74Å; A759-L777 HydrophobicContact CB-CG 4.5Å; I760-L777 HydrophobicContact CG1-CD1 4.26Å; L773-L777 HydrophobicContact CD1-CD1 3.72Å; L773-L777 HydrophobicContact CD1-CG 3.99Å; L773-L777 HydrophobicContact CG-CD1 3.9Å; L773-L777 HydrophobicContact CG-CG 4.42Å; L773-L777 WeakPolarHBondContact O-CB 3.36Å; L773-L777 PolarHBondContact O-N 2.73Å; R775-L777 VanDerWaalsContact C-N 3.33Å; R775-L777 PolarHBondContact O-N 2.83Å; L777-I779 VanDerWaalsContact C-N 3.34Å; L777-I779 HydrophobicContact CB-CD1 3.89Å; L777-I779 HydrophobicContact CB-CG1 3.86Å; L777-I779 HydrophobicContact CB-CG2 4.22Å; L777-I779 HydrophobicContact CD1-CD1 3.71Å; L777-I779 HydrophobicContact CG-CD1 4.47Å; L777-I779 PolarHBondContact O-N 3.16Å; L777-Y787 HydrophobicContact CD1-CD2 4.28Å
778N83.2Confident85.9Confident151 Ų15172.5 Ų72.581%0.80735%0.346SS*.THydrogen-bonded Turntrans53.147.2-171.8-16634.5000113.2A774 R775A774-N778 WeakPolarHBondContact O-CA 3.46Å; A774-N778 PolarHBondContact O-N 3.17Å; R775-N778 PolarHBondContact O-N 3.12Å
779I86.2Confident86.5Confident39 Ų3974 Ų7420%0.236%0.356CS..  trans-125.1160.4179.764.1-179.1000111.6A774 L777 E783 A784 Y787A774-I779 WeakPolarHBondContact CB-O 3.48Å; A774-I779 PolarHBondContact O-N 3.16Å; L777-I779 VanDerWaalsContact C-N 3.34Å; L777-I779 HydrophobicContact CB-CD1 3.89Å; L777-I779 HydrophobicContact CB-CG1 3.86Å; L777-I779 HydrophobicContact CB-CG2 4.22Å; L777-I779 HydrophobicContact CD1-CD1 3.71Å; L777-I779 HydrophobicContact CG-CD1 4.47Å; L777-I779 PolarHBondContact O-N 3.16Å; I779-E783 HydrophobicContact CD1-CB 4.32Å; I779-E783 HydrophobicContact CD1-CG 4.26Å; I779-A784 HydrophobicContact CD1-CB 4Å; I779-A784 HydrophobicContact CG1-CB 4.17Å; I779-Y787 HydrophobicContact CD1-CD2 3.64Å; I779-Y787 HydrophobicContact CD1-CE2 3.49Å; I779-Y787 VanDerWaalsContact CD1-CE2 3.49Å
780P90.3Very high86.9Confident84 Ų8473.1 Ų73.155%0.54535%0.346SS..  trans-58.6141.7174.2-24.134.8000112.7K782 E783 A784P780-K782 PolarHBondContact O-N 3.13Å; P780-K782 VanDerWaalsContact O-N 3.08Å; P780-E783 WeakPolarHBondContact O-CA 3.45Å; P780-E783 WeakPolarHBondContact O-CB 3.26Å; P780-E783 PolarHBondContact O-N 3.09Å; P780-A784 PolarHBondContact O-N 3.18Å; P780-A784 VanDerWaalsContact O-N 3.08Å
781R89.1Confident87.1Confident168 Ų16872.9 Ų72.963%0.63434%0.344SS*.Hα-helixtrans-51.1-37.4178.9-178.1-178.9171-174.9-1.8114A774 E783 A784 Q785A774-R781 HydrophobicContact CB-CB 4.44Å; R781-E783 VanDerWaalsContact C-N 3.31Å; R781-A784 PolarHBondContact O-N 2.89Å; R781-Q785 PolarHBondContact O-N 2.61Å
782K92.2Very high87.5Confident188 Ų18867.8 Ų67.882%0.81732%0.322SS*.Hα-helixtrans-64.7-36.7177.8-70.5-174.3178.6-1790112.2P780 K786P780-K782 PolarHBondContact O-N 3.13Å; P780-K782 VanDerWaalsContact O-N 3.08Å; K782-K786 PolarHBondContact O-N 3.33Å; K782-K786 VanDerWaalsContact O-N 3.11Å
783E88.5Confident87.8Confident72 Ų7273 Ų7334%0.33634%0.341SS..Hα-helixtrans-72.5-43177.8-166.9-179.8161.200110.9I779 P780 R781 Q785 K786 Y787I779-E783 HydrophobicContact CD1-CB 4.32Å; I779-E783 HydrophobicContact CD1-CG 4.26Å; P780-E783 WeakPolarHBondContact O-CA 3.45Å; P780-E783 WeakPolarHBondContact O-CB 3.26Å; P780-E783 PolarHBondContact O-N 3.09Å; R781-E783 VanDerWaalsContact C-N 3.31Å; E783-Q785 VanDerWaalsContact C-N 3.31Å; E783-Q785 PolarHBondContact O-N 2.98Å; E783-K786 WeakPolarHBondContact O-CB 3.5Å; E783-K786 PolarHBondContact O-N 2.85Å; E783-K786 VanDerWaalsContact O-N 3.13Å; E783-Y787 HydrophobicContact CG-CE2 3.96Å; E783-Y787 PolarHBondContact O-N 3.02Å; E783-Y787 PolarHBondContact OE1-OH 3.19Å
784A88.6Confident87.9Confident0 Ų078.3 Ų78.30%036%0.361CS..Hα-helixtrans-58.2-42.3172.900000112.3A770 L773 A774 I779 P780 R781 Y787 M788A770-A784 WeakPolarHBondContact O-CB 3.26Å; L773-A784 HydrophobicContact CB-CB 4.34Å; L773-A784 HydrophobicContact CD2-CB 4.27Å; L773-A784 HydrophobicContact CG-CB 4.28Å; A774-A784 HydrophobicContact CB-CB 3.73Å; I779-A784 HydrophobicContact CD1-CB 4Å; I779-A784 HydrophobicContact CG1-CB 4.17Å; P780-A784 PolarHBondContact O-N 3.18Å; P780-A784 VanDerWaalsContact O-N 3.08Å; R781-A784 PolarHBondContact O-N 2.89Å; A784-Y787 PolarHBondContact O-N 3.13Å; A784-M788 WeakPolarHBondContact O-CG 3.18Å; A784-M788 PolarHBondContact O-N 3.49Å
785Q90.5Very high88.2Confident74 Ų7478.2 Ų78.235%0.34636%0.358SS..Hα-helixtrans-60.9-45.1174.6-173.364.358.200111.3A770 R781 E783 Y787 M788 D789A770-Q785 HydrophobicContact CB-CB 4.12Å; A770-Q785 VanDerWaalsContact CB-OE1 3.25Å; R781-Q785 PolarHBondContact O-N 2.61Å; E783-Q785 VanDerWaalsContact C-N 3.31Å; E783-Q785 PolarHBondContact O-N 2.98Å; Q785-Y787 VanDerWaalsContact C-N 3.28Å; Q785-Y787 PolarHBondContact O-N 2.86Å; Q785-M788 WeakPolarHBondContact O-CB 3.22Å; Q785-M788 PolarHBondContact O-N 2.71Å; Q785-M788 VanDerWaalsContact O-N 3.08Å; Q785-D789 PolarHBondContact NE2-OD1 3.24Å; Q785-D789 PolarHBondContact O-N 2.69Å
786K90.3Very high88.7Confident130 Ų13074.8 Ų74.857%0.56535%0.354SS*.Hα-helixtrans-57.7-40.6176.1-176.1-177.2175.8-1740112.1K782 E783 D789 L790K782-K786 PolarHBondContact O-N 3.33Å; K782-K786 VanDerWaalsContact O-N 3.11Å; E783-K786 WeakPolarHBondContact O-CB 3.5Å; E783-K786 PolarHBondContact O-N 2.85Å; E783-K786 VanDerWaalsContact O-N 3.13Å; K786-D789 PolarHBondContact O-N 3.26Å; K786-L790 HydrophobicContact CG-CD1 4.09Å; K786-L790 WeakPolarHBondContact O-CB 3.42Å; K786-L790 WeakPolarHBondContact O-CG 3.36Å; K786-L790 PolarHBondContact O-N 2.99Å
787Y89Confident89.4Confident38 Ų3869.9 Ų69.915%0.14933%0.333CS..Hα-helixtrans-65.7-38.8175.3-66.6-28.2000112.8V741 F742 I760 L777 I779 E783 A784 Q785 Y791V741-Y787 HydrophobicContact CG1-CD1 3.83Å; V741-Y787 HydrophobicContact CG1-CG 4.32Å; F742-Y787 HydrophobicContact CD1-CE1 4.2Å; F742-Y787 HydrophobicContact CE1-CD1 4.42Å; F742-Y787 AromaticContact CE1-CE1 3.7Å; F742-Y787 HydrophobicContact CE1-CE1 3.7Å; F742-Y787 HydrophobicContact CE1-CE2 4.39Å; F742-Y787 AromaticContact CE1-CZ 3.71Å; I760-Y787 HydrophobicContact CD1-CD2 4.33Å; I760-Y787 HydrophobicContact CD1-CG 4.26Å; L777-Y787 HydrophobicContact CD1-CD2 4.28Å; I779-Y787 HydrophobicContact CD1-CD2 3.64Å; I779-Y787 HydrophobicContact CD1-CE2 3.49Å; I779-Y787 VanDerWaalsContact CD1-CE2 3.49Å; E783-Y787 HydrophobicContact CG-CE2 3.96Å; E783-Y787 PolarHBondContact O-N 3.02Å; E783-Y787 PolarHBondContact OE1-OH 3.19Å; A784-Y787 PolarHBondContact O-N 3.13Å; Q785-Y787 VanDerWaalsContact C-N 3.28Å; Q785-Y787 PolarHBondContact O-N 2.86Å; Y787-Y791 WeakPolarHBondContact O-CB 3.4Å; Y787-Y791 PolarHBondContact O-N 3.43Å
788M88.1Confident89.7Confident17 Ų1768.4 Ų68.48%0.08433%0.325CS..Hα-helixtrans-65.3-43.7174-65.5177.66700111.7L764 M768 A770 L773 A784 Q785 Y791 F792L764-M788 HydrophobicContact CD2-CB 4.37Å; L764-M788 HydrophobicContact CD2-CE 3.43Å; L764-M788 VanDerWaalsContact CD2-CE 3.43Å; L764-M788 HydrophobicContact CD2-CG 3.89Å; L764-M788 HydrophobicContact CD2-SD 4.31Å; M768-M788 WeakPolarHBondContact O-CE 3.43Å; A770-M788 WeakPolarHBondContact CA-SD 3.26Å; A770-M788 HydrophobicContact CB-SD 3.62Å; A770-M788 PolarHBondContact N-SD 2.99Å; A770-M788 VanDerWaalsContact N-SD 3.37Å; L773-M788 HydrophobicContact CD2-CG 3.63Å; L773-M788 HydrophobicContact CD2-SD 4.23Å; A784-M788 WeakPolarHBondContact O-CG 3.18Å; A784-M788 PolarHBondContact O-N 3.49Å; Q785-M788 WeakPolarHBondContact O-CB 3.22Å; Q785-M788 PolarHBondContact O-N 2.71Å; Q785-M788 VanDerWaalsContact O-N 3.08Å; M788-Y791 WeakPolarHBondContact O-CB 3.47Å; M788-Y791 PolarHBondContact O-N 2.9Å; M788-F792 HydrophobicContact CB-CE2 4.37Å; M788-F792 HydrophobicContact CE-CE2 4.32Å; M788-F792 WeakPolarHBondContact O-CD2 3.5Å; M788-F792 PolarHBondContact O-N 3.42Å
789D90.5Very high90.1Very high85 Ų8563.9 Ų63.946%0.45530%0.301SS..Hα-helixtrans-62.6-46.7-179.8-61.5-18.9000110.8Q785 K786 Y791 F792 E793Q785-D789 PolarHBondContact NE2-OD1 3.24Å; Q785-D789 PolarHBondContact O-N 2.69Å; K786-D789 PolarHBondContact O-N 3.26Å; D789-Y791 VanDerWaalsContact C-N 3.31Å; D789-Y791 PolarHBondContact O-N 3.38Å; D789-F792 PolarHBondContact O-N 2.91Å; D789-E793 WeakPolarHBondContact O-CB 3.48Å; D789-E793 PolarHBondContact O-N 2.83Å
790L89.2Confident90.5Very high39 Ų3968.2 Ų68.220%0.20432%0.32CS..Hα-helixtrans-61.3-39.9174.7-74.7167.7000111.9V741 K786 E793 R794V741-L790 HydrophobicContact CG1-CB 4.46Å; K786-L790 HydrophobicContact CG-CD1 4.09Å; K786-L790 WeakPolarHBondContact O-CB 3.42Å; K786-L790 WeakPolarHBondContact O-CG 3.36Å; K786-L790 PolarHBondContact O-N 2.99Å; L790-E793 PolarHBondContact O-N 3.16Å; L790-R794 WeakPolarHBondContact O-CB 3.42Å; L790-R794 WeakPolarHBondContact O-CG 3.1Å; L790-R794 PolarHBondContact O-N 3.28Å
791Y89.6Confident90.7Very high0 Ų064.7 Ų64.70%030%0.296CS..Hα-helixtrans-60.4-48.5175.7-179.9-84.3000111.6T737 V741 I760 N761 L764 Y787 M788 D789 E793 R794 Y795 V798T737-Y791 HydrophobicContact CG2-CD2 3.85Å; T737-Y791 HydrophobicContact CG2-CE2 3.91Å; V741-Y791 HydrophobicContact CG2-CD2 4.48Å; I760-Y791 HydrophobicContact CG2-CD2 3.92Å; I760-Y791 HydrophobicContact CG2-CG 4.27Å; N761-Y791 WeakPolarHBondContact OD1-CE2 3.24Å; L764-Y791 HydrophobicContact CB-CE1 4.42Å; L764-Y791 HydrophobicContact CD1-CD1 3.08Å; L764-Y791 HydrophobicContact CD1-CD2 3.88Å; L764-Y791 HydrophobicContact CD1-CE1 3.52Å; L764-Y791 HydrophobicContact CD1-CE2 4.28Å; L764-Y791 HydrophobicContact CD1-CG 3.25Å; L764-Y791 HydrophobicContact CG-CD1 4.45Å; Y787-Y791 WeakPolarHBondContact O-CB 3.4Å; Y787-Y791 PolarHBondContact O-N 3.43Å; M788-Y791 WeakPolarHBondContact O-CB 3.47Å; M788-Y791 PolarHBondContact O-N 2.9Å; D789-Y791 VanDerWaalsContact C-N 3.31Å; D789-Y791 PolarHBondContact O-N 3.38Å; Y791-E793 VanDerWaalsContact C-N 3.33Å; Y791-E793 PolarHBondContact O-N 2.55Å; Y791-R794 PolarHBondContact O-N 3.02Å; Y791-Y795 HydrophobicContact CD1-CD2 4.13Å; Y791-Y795 AromaticContact CD2-CD2 3.57Å; Y791-Y795 HydrophobicContact CD2-CD2 3.57Å; Y791-Y795 AromaticContact CD2-CE2 3.81Å; Y791-Y795 HydrophobicContact CD2-CE2 3.81Å; Y791-Y795 AromaticContact CE1-CD2 3.96Å; Y791-Y795 HydrophobicContact CE1-CD2 3.96Å; Y791-Y795 AromaticContact CE2-CD2 3.31Å; Y791-Y795 HydrophobicContact CE2-CD2 3.31Å; Y791-Y795 AromaticContact CE2-CE2 3.54Å; Y791-Y795 HydrophobicContact CE2-CE2 3.54Å; Y791-Y795 HydrophobicContact CE2-CG 4.41Å; Y791-Y795 AromaticContact CG-CD2 3.98Å; Y791-Y795 HydrophobicContact CG-CD2 3.98Å; Y791-Y795 AromaticContact CZ-CD2 3.56Å; Y791-Y795 WeakPolarHBondContact O-CD2 3.28Å; Y791-Y795 PolarHBondContact O-N 2.95Å; Y791-V798 HydrophobicContact CE1-CB 4.32Å; Y791-V798 HydrophobicContact CE1-CG1 4.17Å; Y791-V798 HydrophobicContact CE1-CG2 4.34Å
792F91.1Very high90.8Very high29 Ų2957.2 Ų57.213%0.12727%0.268CS..Hα-helixtrans-70.5-28.1179.7-67.6-53.7000113.1L764 M788 D789 R794 Y795 P796 V798 L799 M802L764-F792 HydrophobicContact CD1-CZ 4.39Å; L764-F792 HydrophobicContact CD2-CE2 3.99Å; L764-F792 HydrophobicContact CD2-CZ 3.69Å; M788-F792 HydrophobicContact CB-CE2 4.37Å; M788-F792 HydrophobicContact CE-CE2 4.32Å; M788-F792 WeakPolarHBondContact O-CD2 3.5Å; M788-F792 PolarHBondContact O-N 3.42Å; D789-F792 PolarHBondContact O-N 2.91Å; F792-R794 VanDerWaalsContact C-N 3.31Å; F792-Y795 CarbonylContact O-C 3.56Å; F792-P796 VanDerWaalsContact O-CA 3.26Å; F792-P796 WeakPolarHBondContact O-CA 3.17Å; F792-V798 HydrophobicContact CE1-CG1 4.24Å; F792-L799 HydrophobicContact CB-CB 4.28Å; F792-L799 HydrophobicContact CB-CD2 4.24Å; F792-L799 HydrophobicContact CD1-CB 3.68Å; F792-L799 HydrophobicContact CD1-CD1 4.19Å; F792-L799 HydrophobicContact CD1-CG 4.42Å; F792-L799 HydrophobicContact CD2-CD1 4.43Å; F792-L799 HydrophobicContact CE1-CB 4.25Å; F792-L799 HydrophobicContact CE1-CD1 4.24Å; F792-L799 HydrophobicContact CE2-CD1 4.48Å; F792-L799 HydrophobicContact CG-CB 4.14Å; F792-L799 HydrophobicContact CG-CD1 4.28Å; F792-L799 HydrophobicContact CG-CD2 4.47Å; F792-L799 HydrophobicContact CZ-CD1 4.38Å; F792-M802 HydrophobicContact CE1-SD 3.68Å; F792-M802 HydrophobicContact CZ-CE 4.41Å; F792-M802 HydrophobicContact CZ-SD 3.79Å
793E90.9Very high90.9Very high130 Ų13053.4 Ų53.461%0.60725%0.253SS*.Hα-helixtrans-64-38.1170-173.4-175.1165.900111.4D789 L790 Y791D789-E793 WeakPolarHBondContact O-CB 3.48Å; D789-E793 PolarHBondContact O-N 2.83Å; L790-E793 PolarHBondContact O-N 3.16Å; Y791-E793 VanDerWaalsContact C-N 3.33Å; Y791-E793 PolarHBondContact O-N 2.55Å
794R87.9Confident91.2Very high113 Ų11356.1 Ų56.143%0.42626%0.261SS..Hα-helixtrans-82-34.4-179.2-65-67.2-177.7-145-7.9113.4E740 L790 Y791 F792 P796E740-R794 HydrophobicContact CB-CB 4.42Å; E740-R794 HydrophobicContact CB-CG 4.08Å; E740-R794 WeakPolarHBondContact OE2-CD 3.32Å; E740-R794 IonicContact OE2-NE 3.49Å; E740-R794 PolarHBondContact OE2-NE 3.28Å; L790-R794 WeakPolarHBondContact O-CB 3.42Å; L790-R794 WeakPolarHBondContact O-CG 3.1Å; L790-R794 PolarHBondContact O-N 3.28Å; Y791-R794 PolarHBondContact O-N 3.02Å; F792-R794 VanDerWaalsContact C-N 3.31Å; R794-P796 WeakPolarHBondContact O-CD 3.43Å
795Y90.5Very high91.5Very high8 Ų856.4 Ų56.43%0.03126%0.263CS..  trans-121.865-179.8-52.5-64.6000111D720 L723 T737 Y791 F792 G797 V798D720-Y795 WeakPolarHBondContact OD1-CD1 3.46Å; D720-Y795 WeakPolarHBondContact OD2-CA 3.06Å; L723-Y795 HydrophobicContact CD2-CD1 3.84Å; L723-Y795 HydrophobicContact CD2-CE1 3.75Å; L723-Y795 HydrophobicContact CD2-CE2 4.49Å; L723-Y795 HydrophobicContact CD2-CG 4.25Å; L723-Y795 HydrophobicContact CG-CD1 3.73Å; L723-Y795 HydrophobicContact CG-CE1 4.08Å; L723-Y795 HydrophobicContact CG-CG 4.2Å; T737-Y795 HydrophobicContact CG2-CE2 4.3Å; Y791-Y795 HydrophobicContact CD1-CD2 4.13Å; Y791-Y795 AromaticContact CD2-CD2 3.57Å; Y791-Y795 HydrophobicContact CD2-CD2 3.57Å; Y791-Y795 AromaticContact CD2-CE2 3.81Å; Y791-Y795 HydrophobicContact CD2-CE2 3.81Å; Y791-Y795 AromaticContact CE1-CD2 3.96Å; Y791-Y795 HydrophobicContact CE1-CD2 3.96Å; Y791-Y795 AromaticContact CE2-CD2 3.31Å; Y791-Y795 HydrophobicContact CE2-CD2 3.31Å; Y791-Y795 AromaticContact CE2-CE2 3.54Å; Y791-Y795 HydrophobicContact CE2-CE2 3.54Å; Y791-Y795 HydrophobicContact CE2-CG 4.41Å; Y791-Y795 AromaticContact CG-CD2 3.98Å; Y791-Y795 HydrophobicContact CG-CD2 3.98Å; Y791-Y795 AromaticContact CZ-CD2 3.56Å; Y791-Y795 WeakPolarHBondContact O-CD2 3.28Å; Y791-Y795 PolarHBondContact O-N 2.95Å; F792-Y795 CarbonylContact O-C 3.56Å; Y795-G797 VanDerWaalsContact C-N 3.25Å; Y795-G797 PolarHBondContact O-N 2.94Å; Y795-V798 WeakPolarHBondContact O-CB 3.36Å; Y795-V798 PolarHBondContact O-N 3.26Å; Y795-V798 VanDerWaalsContact O-N 3.12Å
796P92.9Very high91.6Very high63 Ų6356.2 Ų56.241%0.40926%0.259SS..Hα-helixtrans-61.9-30.1-17425.6-35.4000113.4D720 F792 R794 V798 L799 E800D720-P796 WeakPolarHBondContact OD2-CD 3.25Å; F792-P796 VanDerWaalsContact O-CA 3.26Å; F792-P796 WeakPolarHBondContact O-CA 3.17Å; R794-P796 WeakPolarHBondContact O-CD 3.43Å; P796-V798 PolarHBondContact O-N 3.33Å; P796-L799 PolarHBondContact O-N 3.12Å; P796-L799 VanDerWaalsContact O-N 3.12Å; P796-E800 PolarHBondContact O-N 3.44Å; P796-E800 VanDerWaalsContact O-N 3.07Å
797G94.1Very high91.9Very high8 Ų852.8 Ų52.88%0.08226%0.255CS..Hα-helixtrans-63.2-27.5178.500000112.5S718 D720 Y795 Y801S718-G797 WeakPolarHBondContact CB-O 3.32Å; D720-G797 PolarHBondContact OD2-N 3.35Å; Y795-G797 VanDerWaalsContact C-N 3.25Å; Y795-G797 PolarHBondContact O-N 2.94Å; G797-Y801 WeakPolarHBondContact O-CB 3.21Å; G797-Y801 PolarHBondContact O-N 3.31Å
798V92.2Very high92.2Very high0 Ų053.7 Ų53.70%026%0.26CS..Hα-helixtrans-67.2-44.5175.5-1780000110.4M714 D720 L723 Y791 F792 Y795 P796 Y801 M802M714-V798 HydrophobicContact CE-CG1 4.06Å; M714-V798 HydrophobicContact SD-CG1 4.1Å; D720-V798 HydrophobicContact CB-CG2 4.33Å; L723-V798 HydrophobicContact CD1-CG2 3.52Å; Y791-V798 HydrophobicContact CE1-CB 4.32Å; Y791-V798 HydrophobicContact CE1-CG1 4.17Å; Y791-V798 HydrophobicContact CE1-CG2 4.34Å; F792-V798 HydrophobicContact CE1-CG1 4.24Å; Y795-V798 WeakPolarHBondContact O-CB 3.36Å; Y795-V798 PolarHBondContact O-N 3.26Å; Y795-V798 VanDerWaalsContact O-N 3.12Å; P796-V798 PolarHBondContact O-N 3.33Å; V798-Y801 PolarHBondContact O-N 3.32Å; V798-M802 HydrophobicContact CG1-SD 4.26Å; V798-M802 VanDerWaalsContact O-CG 3.28Å; V798-M802 WeakPolarHBondContact O-CG 3.47Å; V798-M802 PolarHBondContact O-N 3.3Å
799L91.6Very high92.5Very high57 Ų5752.9 Ų52.930%0.29826%0.256SS..Hα-helixtrans-64.1-46.8177.8-176.661000111.2F792 P796 Y801 M802 E803F792-L799 HydrophobicContact CB-CB 4.28Å; F792-L799 HydrophobicContact CB-CD2 4.24Å; F792-L799 HydrophobicContact CD1-CB 3.68Å; F792-L799 HydrophobicContact CD1-CD1 4.19Å; F792-L799 HydrophobicContact CD1-CG 4.42Å; F792-L799 HydrophobicContact CD2-CD1 4.43Å; F792-L799 HydrophobicContact CE1-CB 4.25Å; F792-L799 HydrophobicContact CE1-CD1 4.24Å; F792-L799 HydrophobicContact CE2-CD1 4.48Å; F792-L799 HydrophobicContact CG-CB 4.14Å; F792-L799 HydrophobicContact CG-CD1 4.28Å; F792-L799 HydrophobicContact CG-CD2 4.47Å; F792-L799 HydrophobicContact CZ-CD1 4.38Å; P796-L799 PolarHBondContact O-N 3.12Å; P796-L799 VanDerWaalsContact O-N 3.12Å; L799-Y801 VanDerWaalsContact C-N 3.3Å; L799-Y801 PolarHBondContact O-N 3.04Å; L799-M802 PolarHBondContact O-N 3.33Å; L799-M802 VanDerWaalsContact O-N 3.14Å; L799-E803 WeakPolarHBondContact O-CG 3.28Å; L799-E803 PolarHBondContact O-N 3.21Å
800E94.3Very high92.7Very high130 Ų13055.4 Ų55.461%0.60726%0.263SS*.Hα-helixtrans-57.8-42.5177-70.4177.7-172.800111.7P796 E803 R804P796-E800 PolarHBondContact O-N 3.44Å; P796-E800 VanDerWaalsContact O-N 3.07Å; E800-E803 PolarHBondContact O-N 2.83Å; E800-R804 VanDerWaalsContact O-CB 3.26Å; E800-R804 WeakPolarHBondContact O-CB 3.33Å; E800-R804 PolarHBondContact O-N 2.99Å
801Y94Very high93Very high9 Ų960.7 Ų60.74%0.03529%0.287CS..Hα-helixtrans-60.7-49.3173.7165.2-101.7000111.8M714 L717 G797 V798 L799 E803 R804 T805 I844M714-Y801 HydrophobicContact CE-CD1 4.34Å; M714-Y801 HydrophobicContact CE-CE1 4.25Å; M714-Y801 HydrophobicContact SD-CD1 3.86Å; M714-Y801 HydrophobicContact SD-CE1 4.03Å; L717-Y801 HydrophobicContact CB-CD2 4.05Å; L717-Y801 HydrophobicContact CB-CE2 3.77Å; L717-Y801 HydrophobicContact CD1-CE2 4.18Å; L717-Y801 HydrophobicContact CG-CE2 4.5Å; G797-Y801 WeakPolarHBondContact O-CB 3.21Å; G797-Y801 PolarHBondContact O-N 3.31Å; V798-Y801 PolarHBondContact O-N 3.32Å; L799-Y801 VanDerWaalsContact C-N 3.3Å; L799-Y801 PolarHBondContact O-N 3.04Å; Y801-E803 VanDerWaalsContact C-N 3.29Å; Y801-E803 PolarHBondContact O-N 2.82Å; Y801-R804 PolarHBondContact O-N 3.16Å; Y801-T805 WeakPolarHBondContact CE2-OG1 3.41Å; Y801-T805 WeakPolarHBondContact O-CB 3.34Å; Y801-T805 PolarHBondContact O-N 3.16Å; Y801-T805 PolarHBondContact O-OG1 3.35Å; Y801-I844 HydrophobicContact CE1-CG2 4.33Å; Y801-I844 PolarHBondContact OH-O 3.1Å
802M92Very high93.2Very high11 Ų1164.5 Ų64.55%0.05431%0.305CS..Hα-helixtrans-59.4-40.9-179.9-68.617382.400112F792 V798 L799 R806 I844F792-M802 HydrophobicContact CE1-SD 3.68Å; F792-M802 HydrophobicContact CZ-CE 4.41Å; F792-M802 HydrophobicContact CZ-SD 3.79Å; V798-M802 HydrophobicContact CG1-SD 4.26Å; V798-M802 VanDerWaalsContact O-CG 3.28Å; V798-M802 WeakPolarHBondContact O-CG 3.47Å; V798-M802 PolarHBondContact O-N 3.3Å; L799-M802 PolarHBondContact O-N 3.33Å; L799-M802 VanDerWaalsContact O-N 3.14Å; M802-R806 WeakPolarHBondContact O-CG 3.46Å; M802-R806 PolarHBondContact O-N 3.25Å; M802-R806 VanDerWaalsContact O-N 3.12Å; M802-R806 PolarHBondContact O-NE 2.85Å; M802-I844 HydrophobicContact CB-CD1 4.16Å; M802-I844 HydrophobicContact CB-CG1 4.45Å; M802-I844 HydrophobicContact CE-CD1 3.84Å; M802-I844 HydrophobicContact CE-CG2 4.39Å; M802-I844 HydrophobicContact CG-CD1 4.28Å; M802-I844 HydrophobicContact CG-CG2 3.98Å
803E93.2Very high93.4Very high108 Ų10864 Ų6451%0.50531%0.307SS..Hα-helixtrans-68.3-47.6177.7-71.4-176.9165.200112.5L799 E800 Y801 T805 R806 A807L799-E803 WeakPolarHBondContact O-CG 3.28Å; L799-E803 PolarHBondContact O-N 3.21Å; E800-E803 PolarHBondContact O-N 2.83Å; Y801-E803 VanDerWaalsContact C-N 3.29Å; Y801-E803 PolarHBondContact O-N 2.82Å; E803-T805 VanDerWaalsContact C-N 3.34Å; E803-T805 PolarHBondContact O-N 3.17Å; E803-R806 VanDerWaalsContact CG-NH2 3.29Å; E803-R806 PolarHBondContact O-N 3.49Å; E803-A807 PolarHBondContact O-N 3.33Å
804R95.2Very high93.6Very high130 Ų13059.6 Ų59.649%0.49129%0.285SS..Hα-helixtrans-59.3-44.7176.7178.4178.658.3171.7-4.9111.6L717 E800 Y801 A807 Q808L717-R804 PolarHBondContact O-NH2 3.39Å; E800-R804 VanDerWaalsContact O-CB 3.26Å; E800-R804 WeakPolarHBondContact O-CB 3.33Å; E800-R804 PolarHBondContact O-N 2.99Å; Y801-R804 PolarHBondContact O-N 3.16Å; R804-A807 PolarHBondContact O-N 3.03Å; R804-Q808 WeakPolarHBondContact O-CB 3.37Å; R804-Q808 PolarHBondContact O-N 2.91Å
805T94.7Very high94Very high6 Ų654.3 Ų54.34%0.03727%0.265CS..Hα-helixtrans-65.7-39.7-179.8-600000111.5Y801 E803 Q808 A809 V815 A843Y801-T805 WeakPolarHBondContact CE2-OG1 3.41Å; Y801-T805 WeakPolarHBondContact O-CB 3.34Å; Y801-T805 PolarHBondContact O-N 3.16Å; Y801-T805 PolarHBondContact O-OG1 3.35Å; E803-T805 VanDerWaalsContact C-N 3.34Å; E803-T805 PolarHBondContact O-N 3.17Å; T805-Q808 PolarHBondContact O-N 3.48Å; T805-A809 VanDerWaalsContact O-CB 3.25Å; T805-A809 WeakPolarHBondContact O-CB 3.36Å; T805-A809 PolarHBondContact O-N 2.89Å; T805-V815 HydrophobicContact CG2-CG1 3.88Å; T805-A843 HydrophobicContact CG2-CB 4.48Å; T805-A843 WeakPolarHBondContact CG2-O 3.46Å
806R93.2Very high94.4Very high69 Ų6957.1 Ų57.126%0.2628%0.279SS..Hα-helixtrans-61.9-42.9172.1-77.3-175-68.1-103.80.9112.1M802 E803 K810 E840 I844M802-R806 WeakPolarHBondContact O-CG 3.46Å; M802-R806 PolarHBondContact O-N 3.25Å; M802-R806 VanDerWaalsContact O-N 3.12Å; M802-R806 PolarHBondContact O-NE 2.85Å; E803-R806 VanDerWaalsContact CG-NH2 3.29Å; E803-R806 PolarHBondContact O-N 3.49Å; R806-K810 WeakPolarHBondContact O-CB 3.16Å; R806-K810 PolarHBondContact O-N 2.55Å; R806-E840 HydrophobicContact CG-CB 4.2Å; R806-E840 HydrophobicContact CG-CG 4.31Å; R806-I844 HydrophobicContact CG-CD1 4.23Å; R806-I844 HydrophobicContact CG-CG1 4.4Å; R806-I844 VanDerWaalsContact NH1-CD1 3.34Å
807A95.1Very high94.6Very high59 Ų5954.5 Ų54.549%0.48826%0.262SS..Hα-helixtrans-63.8-47.617800000111.6E803 R804 A809 K810 E811E803-A807 PolarHBondContact O-N 3.33Å; R804-A807 PolarHBondContact O-N 3.03Å; A807-A809 PolarHBondContact O-N 3.17Å; A807-K810 PolarHBondContact O-N 2.95Å; A807-E811 PolarHBondContact O-N 3.45Å
808Q95.2Very high94.7Very high57 Ų5757.3 Ų57.327%0.26628%0.275SS..Hα-helixtrans-59-48.1176.4-178.1-177.4-600111.6R804 T805 K810 E811 Q812R804-Q808 WeakPolarHBondContact O-CB 3.37Å; R804-Q808 PolarHBondContact O-N 2.91Å; T805-Q808 PolarHBondContact O-N 3.48Å; Q808-K810 VanDerWaalsContact C-N 3.28Å; Q808-K810 PolarHBondContact O-N 2.93Å; Q808-E811 PolarHBondContact O-N 2.8Å; Q808-Q812 HydrophobicContact CG-CG 4.37Å; Q808-Q812 WeakPolarHBondContact O-CB 3.23Å; Q808-Q812 PolarHBondContact O-N 3.37Å
809A95.4Very high94.9Very high0 Ų058.8 Ų58.80%028%0.283CS..Hα-helixtrans-58.1-41.7178.400000111.7T805 A807 G813 V815 L825 I828 A843T805-A809 VanDerWaalsContact O-CB 3.25Å; T805-A809 WeakPolarHBondContact O-CB 3.36Å; T805-A809 PolarHBondContact O-N 2.89Å; A807-A809 PolarHBondContact O-N 3.17Å; A809-G813 VanDerWaalsContact O-CA 3.28Å; A809-G813 WeakPolarHBondContact O-CA 3.1Å; A809-G813 PolarHBondContact O-N 2.86Å; A809-V815 HydrophobicContact CB-CG1 3.8Å; A809-L825 HydrophobicContact CB-CD1 3.65Å; A809-I828 HydrophobicContact CB-CD1 4Å; A809-I828 HydrophobicContact CB-CG1 3.89Å; A809-I828 WeakPolarHBondContact O-CG2 3.45Å; A809-A843 HydrophobicContact CB-CB 3.76Å
810K94.2Very high95.2Very high137 Ų13756.4 Ų56.460%0.59627%0.272SS*.Hα-helixtrans-68-37.2178.7-173.6178179.7-178.40112.7R806 A807 Q808 K829R806-K810 WeakPolarHBondContact O-CB 3.16Å; R806-K810 PolarHBondContact O-N 2.55Å; A807-K810 PolarHBondContact O-N 2.95Å; Q808-K810 VanDerWaalsContact C-N 3.28Å; Q808-K810 PolarHBondContact O-N 2.93Å; K810-K829 WeakPolarHBondContact O-CE 3.3Å
811E95.4Very high95.3Very high150 Ų15050.5 Ų50.570%0.70124%0.244SC*.Hα-helixtrans-71.4-53.1178.6-175.8178.4-175.500111.2A807 Q808A807-E811 PolarHBondContact O-N 3.45Å; Q808-E811 PolarHBondContact O-N 2.8Å
812Q94.5Very high95.5Very high81 Ų8151.6 Ų51.638%0.37925%0.248SC..Hα-helixtrans-93.8-21.7-167.4-61.2178.2-6.600114Q808 Y814Q808-Q812 HydrophobicContact CG-CG 4.37Å; Q808-Q812 WeakPolarHBondContact O-CB 3.23Å; Q808-Q812 PolarHBondContact O-N 3.37Å; Q812-Y814 VanDerWaalsContact C-N 3.28Å; Q812-Y814 HydrophobicContact CB-CD1 4.27Å; Q812-Y814 HydrophobicContact CB-CE1 4.07Å; Q812-Y814 WeakPolarHBondContact O-CD1 3.41Å
813G94.4Very high95.7Very high17 Ų1751.3 Ų51.318%0.17525%0.247CC..SBendtrans83.9-4.1-174.500000114.7A809 L825A809-G813 VanDerWaalsContact O-CA 3.28Å; A809-G813 WeakPolarHBondContact O-CA 3.1Å; A809-G813 PolarHBondContact O-N 2.86Å; G813-L825 PolarHBondContact O-N 3.24Å
814Y96.2Very high95.8Very high39 Ų3948.7 Ų48.715%0.15323%0.233CC..EExtended strand (participates in β ladder)trans-148168.1179.863.3-97.2000111.6Q812 E816 R822 L823 Y824Q812-Y814 VanDerWaalsContact C-N 3.28Å; Q812-Y814 HydrophobicContact CB-CD1 4.27Å; Q812-Y814 HydrophobicContact CB-CE1 4.07Å; Q812-Y814 WeakPolarHBondContact O-CD1 3.41Å; Y814-E816 HydrophobicContact CD2-CG 4.07Å; Y814-E816 HydrophobicContact CE2-CG 3.96Å; Y814-E816 WeakPolarHBondContact CE2-OE1 3.46Å; Y814-R822 HydrophobicContact CD2-CB 4.24Å; Y814-R822 HydrophobicContact CD2-CG 3.76Å; Y814-R822 HydrophobicContact CE2-CG 3.83Å; Y814-R822 HydrophobicContact CG-CG 4.42Å; Y814-R822 PolarHBondContact OH-NH2 2.94Å; Y814-L823 VanDerWaalsContact CA-O 3.28Å; Y814-L823 WeakPolarHBondContact CA-O 3.12Å; Y814-L823 WeakPolarHBondContact CB-O 3.34Å; Y814-Y824 HydrophobicContact CD1-CD1 4.15Å; Y814-Y824 AromaticContact CD1-CE1 3.81Å; Y814-Y824 HydrophobicContact CD1-CE1 3.81Å; Y814-Y824 HydrophobicContact CG-CD1 4.39Å; Y814-Y824 HydrophobicContact CG-CE1 4.3Å
815V96.7Very high95.8Very high1 Ų143.2 Ų43.21%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-126.7163.6169.4-650000109.8T805 A809 R822 L823 L825 A843 A846 P847T805-V815 HydrophobicContact CG2-CG1 3.88Å; A809-V815 HydrophobicContact CB-CG1 3.8Å; V815-R822 CarbonylContact O-C 3.59Å; V815-L823 HydrophobicContact CG2-CB 3.89Å; V815-L823 HydrophobicContact CG2-CD1 4.38Å; V815-L823 PolarHBondContact N-O 3.09Å; V815-L823 PolarHBondContact O-N 3.29Å; V815-L825 HydrophobicContact CG1-CD1 4.11Å; V815-L825 HydrophobicContact CG2-CD1 4.33Å; V815-A843 HydrophobicContact CG1-CB 4.19Å; V815-A846 HydrophobicContact CG2-CB 4.39Å; V815-P847 HydrophobicContact CB-CG 3.86Å; V815-P847 HydrophobicContact CG2-CG 3.61Å
816E97.3Very high95.5Very high67 Ų6748 Ų4831%0.31324%0.244SC..EExtended strand (participates in β ladder)trans-124148.3-174.9-72177.2163.900112.7Y814 R821 R822Y814-E816 HydrophobicContact CD2-CG 4.07Å; Y814-E816 HydrophobicContact CE2-CG 3.96Å; Y814-E816 WeakPolarHBondContact CE2-OE1 3.46Å; E816-R821 CarbonylContact C-O 3.36Å; E816-R821 WeakPolarHBondContact CA-O 3.28Å; E816-R822 HydrophobicContact CG-CG 3.66Å; E816-R822 VanDerWaalsContact OE1-CG 3.27Å; E816-R822 WeakPolarHBondContact OE1-CG 3.24Å; E816-R822 IonicContact OE1-CZ 3.22Å; E816-R822 IonicContact OE1-NE 3.01Å; E816-R822 PolarHBondContact OE1-NE 3.18Å; E816-R822 IonicContact OE1-NH2 2.72Å
817T97.2Very high95.3Very high9 Ų947.8 Ų47.86%0.05525%0.248CC..  trans-77.4172.4166.569.70000111.1D819 G820 R821 L823 G850 D854T817-D819 VanDerWaalsContact C-N 3.26Å; T817-D819 PolarHBondContact O-N 3.25Å; T817-G820 PolarHBondContact O-N 3.35Å; T817-R821 HydrophobicContact CG2-CB 3.82Å; T817-R821 PolarHBondContact N-O 3.11Å; T817-R821 VanDerWaalsContact OG1-CB 3.26Å; T817-R821 WeakPolarHBondContact OG1-CB 3.33Å; T817-R821 PolarHBondContact OG1-N 3.13Å; T817-R821 VanDerWaalsContact OG1-N 3.08Å; T817-L823 HydrophobicContact CG2-CD1 4.01Å; T817-G850 VanDerWaalsContact CG2-C 3.44Å; T817-D854 VanDerWaalsContact CB-OD2 3.29Å; T817-D854 WeakPolarHBondContact CB-OD2 3.46Å; T817-D854 PolarHBondContact OG1-OD2 3.37Å
818L96.3Very high95.2Very high66 Ų6645.2 Ų45.235%0.34623%0.226SC..THydrogen-bonded Turntrans-57.1-38.2177.2-71.8-179.3000113.6L717 G820 T851 L910L717-L818 HydrophobicContact CD2-CD2 3.53Å; L717-L818 HydrophobicContact CD2-CG 4.15Å; L818-G820 VanDerWaalsContact C-N 3.26Å; L818-G820 PolarHBondContact O-N 2.85Å; L818-T851 HydrophobicContact CB-CG2 4.07Å; L818-T851 HydrophobicContact CD1-CG2 3.47Å; L818-T851 VanDerWaalsContact CD1-CG2 3.47Å; L818-T851 HydrophobicContact CG-CG2 3.7Å; L818-T851 PolarHBondContact N-OG1 2.86Å; L818-L910 HydrophobicContact CD1-CD2 3.36Å
819D96.5Very high94.9Very high32 Ų3249.2 Ų49.217%0.17124%0.243CC..THydrogen-bonded Turntrans-83.1-3.5178.3-70.3-72.6000112.8N524 V525 I529 T817N524-D819 PolarHBondContact ND2-O 3.07Å; V525-D819 HydrophobicContact CG2-CB 3.91Å; V525-D819 WeakPolarHBondContact CG2-O 3.46Å; I529-D819 HydrophobicContact CD1-CB 3.8Å; T817-D819 VanDerWaalsContact C-N 3.26Å; T817-D819 PolarHBondContact O-N 3.25Å
820G97.3Very high94.4Very high7 Ų750.1 Ų50.17%0.07225%0.249CC..  trans97.216.6172.500000115.4G521 P522 T817 L818 R822G521-G820 CarbonylContact C-O 3.17Å; G521-G820 WeakPolarHBondContact CA-O 3.23Å; P522-G820 WeakPolarHBondContact CD-O 3.35Å; P522-G820 VanDerWaalsContact N-O 3.12Å; T817-G820 PolarHBondContact O-N 3.35Å; L818-G820 VanDerWaalsContact C-N 3.26Å; L818-G820 PolarHBondContact O-N 2.85Å; G820-R822 PolarHBondContact O-N 2.83Å
821R98.2Very high93.8Very high6 Ų648.3 Ų48.32%0.02325%0.253CS..  trans-65.7123.3173.7-180-171.8-58.4-78.9-4.5109.1V525 E530 E816 T817 L823 D854V525-R821 HydrophobicContact CG1-CB 4.33Å; V525-R821 VanDerWaalsContact CG1-NH2 3.25Å; V525-R821 HydrophobicContact CG2-CB 3.99Å; E530-R821 IonicContact OE1-CZ 2.91Å; E530-R821 IonicContact OE1-NH1 3.3Å; E530-R821 PolarHBondContact OE1-NH1 3.39Å; E530-R821 IonicContact OE1-NH2 3.78Å; E530-R821 PolarHBondContact OE1-NH2 2.93Å; E816-R821 CarbonylContact C-O 3.36Å; E816-R821 WeakPolarHBondContact CA-O 3.28Å; T817-R821 HydrophobicContact CG2-CB 3.82Å; T817-R821 PolarHBondContact N-O 3.11Å; T817-R821 VanDerWaalsContact OG1-CB 3.26Å; T817-R821 WeakPolarHBondContact OG1-CB 3.33Å; T817-R821 PolarHBondContact OG1-N 3.13Å; T817-R821 VanDerWaalsContact OG1-N 3.08Å; R821-L823 HydrophobicContact CG-CD2 4.33Å; R821-D854 IonicContact CZ-OD1 3.68Å; R821-D854 VanDerWaalsContact CZ-OD1 3.3Å; R821-D854 IonicContact NE-OD1 2.82Å; R821-D854 PolarHBondContact NE-OD1 3.3Å; R821-D854 VanDerWaalsContact NE-OD1 3.08Å; R821-D854 IonicContact NE-OD2 3.48Å; R821-D854 IonicContact NH2-OD1 2.78Å; R821-D854 PolarHBondContact NH2-OD1 2.98Å
822R97.5Very high93.1Very high31 Ų3143.6 Ų43.612%0.11723%0.233CC..EExtended strand (participates in β ladder)trans-81.3137175.3-73.4179.8-179.2171.7-0.1112.1H519 P522 Y814 V815 E816 G820 Y824H519-R822 PolarHBondContact CD2-NH1 3.24Å; H519-R822 PolarHBondContact CE1-NH1 2.89Å; H519-R822 VanDerWaalsContact CE1-NH1 3.32Å; H519-R822 PolarHBondContact ND1-NH1 3.22Å; H519-R822 PolarHBondContact ND1-NH2 3.24Å; H519-R822 PolarHBondContact NE2-NH1 2.99Å; P522-R822 HydrophobicContact CG-CB 4.43Å; P522-R822 HydrophobicContact CG-CG 3.86Å; Y814-R822 HydrophobicContact CD2-CB 4.24Å; Y814-R822 HydrophobicContact CD2-CG 3.76Å; Y814-R822 HydrophobicContact CE2-CG 3.83Å; Y814-R822 HydrophobicContact CG-CG 4.42Å; Y814-R822 PolarHBondContact OH-NH2 2.94Å; V815-R822 CarbonylContact O-C 3.59Å; E816-R822 HydrophobicContact CG-CG 3.66Å; E816-R822 VanDerWaalsContact OE1-CG 3.27Å; E816-R822 WeakPolarHBondContact OE1-CG 3.24Å; E816-R822 IonicContact OE1-CZ 3.22Å; E816-R822 IonicContact OE1-NE 3.01Å; E816-R822 PolarHBondContact OE1-NE 3.18Å; E816-R822 IonicContact OE1-NH2 2.72Å; G820-R822 PolarHBondContact O-N 2.83Å; R822-Y824 HydrophobicContact CB-CD2 4.37Å; R822-Y824 HydrophobicContact CB-CE2 3.79Å
823L96.6Very high92.5Very high6 Ų641.5 Ų41.53%0.03123%0.233CC..EExtended strand (participates in β ladder)trans-125.696.2-178.4-58.1168.6000107.2A665 Y814 V815 T817 R821 A846A665-L823 WeakPolarHBondContact O-CD2 3.45Å; Y814-L823 VanDerWaalsContact CA-O 3.28Å; Y814-L823 WeakPolarHBondContact CA-O 3.12Å; Y814-L823 WeakPolarHBondContact CB-O 3.34Å; V815-L823 HydrophobicContact CG2-CB 3.89Å; V815-L823 HydrophobicContact CG2-CD1 4.38Å; V815-L823 PolarHBondContact N-O 3.09Å; V815-L823 PolarHBondContact O-N 3.29Å; T817-L823 HydrophobicContact CG2-CD1 4.01Å; R821-L823 HydrophobicContact CG-CD2 4.33Å; L823-A846 HydrophobicContact CB-CB 4.27Å; L823-A846 HydrophobicContact CD1-CB 3.62Å; L823-A846 VanDerWaalsContact CD1-O 3.24Å; L823-A846 WeakPolarHBondContact CD1-O 3.41Å; L823-A846 HydrophobicContact CG-CB 4.46Å
824Y95.7Very high91.8Very high52 Ų5244.2 Ų44.220%0.20425%0.254CS..EExtended strand (participates in β ladder)trans-75.6147.6-175.1-66.5-99.1000111.9L449 N450 Y814 R822L449-Y824 WeakPolarHBondContact O-CE2 3.19Å; L449-Y824 PolarHBondContact O-OH 2.95Å; N450-Y824 HydrophobicContact CB-CD2 4.02Å; N450-Y824 HydrophobicContact CB-CE2 3.88Å; N450-Y824 WeakPolarHBondContact OD1-CD2 3.08Å; Y814-Y824 HydrophobicContact CD1-CD1 4.15Å; Y814-Y824 AromaticContact CD1-CE1 3.81Å; Y814-Y824 HydrophobicContact CD1-CE1 3.81Å; Y814-Y824 HydrophobicContact CG-CD1 4.39Å; Y814-Y824 HydrophobicContact CG-CE1 4.3Å; R822-Y824 HydrophobicContact CB-CD2 4.37Å; R822-Y824 HydrophobicContact CB-CE2 3.79Å
825L94.7Very high91Very high15 Ų1546.5 Ų46.58%0.07926%0.262CS..  trans-13078.2-174.8-62.4159.9000109.4A809 G813 V815 D827 I828 A842 A843A809-L825 HydrophobicContact CB-CD1 3.65Å; G813-L825 PolarHBondContact O-N 3.24Å; V815-L825 HydrophobicContact CG1-CD1 4.11Å; V815-L825 HydrophobicContact CG2-CD1 4.33Å; L825-D827 PolarHBondContact O-N 2.89Å; L825-D827 VanDerWaalsContact O-N 3.08Å; L825-I828 HydrophobicContact CB-CB 3.92Å; L825-I828 HydrophobicContact CB-CG2 4.32Å; L825-I828 WeakPolarHBondContact O-CB 3.45Å; L825-I828 WeakPolarHBondContact O-CG2 3.4Å; L825-I828 PolarHBondContact O-N 2.89Å; L825-A842 HydrophobicContact CD2-CB 3.86Å; L825-A843 HydrophobicContact CD1-CB 3.45Å; L825-A843 VanDerWaalsContact CD1-CB 3.45Å; L825-A843 HydrophobicContact CD2-CB 4.48Å
826P87.8Confident90.7Very high106 Ų10650.5 Ų50.569%0.68828%0.277SS*.G310 helixtrans-54.6-34.2-174-27.134.7000113.9V452 I828V452-P826 HydrophobicContact CG2-CG 4.16Å; P826-I828 PolarHBondContact O-N 3.46Å
827D89.9Confident90.3Very high65 Ų6549 Ų4935%0.34828%0.277SS..G310 helixtrans-86.22.6-178.3-78.9-49.6000114.7L825 K829 S830 R835 A839L825-D827 PolarHBondContact O-N 2.89Å; L825-D827 VanDerWaalsContact O-N 3.08Å; D827-K829 PolarHBondContact O-N 3.16Å; D827-S830 WeakPolarHBondContact O-CB 3.28Å; D827-S830 PolarHBondContact O-N 3.47Å; D827-R835 HydrophobicContact CB-CB 4.35Å; D827-A839 HydrophobicContact CB-CB 3.99Å
828I92.7Very high89.7Confident5 Ų550.7 Ų50.73%0.02629%0.291CS..G310 helixtrans-66.2-25.2-174.3-16164.6000113.3A809 L825 P826 A839 E840A809-I828 HydrophobicContact CB-CD1 4Å; A809-I828 HydrophobicContact CB-CG1 3.89Å; A809-I828 WeakPolarHBondContact O-CG2 3.45Å; L825-I828 HydrophobicContact CB-CB 3.92Å; L825-I828 HydrophobicContact CB-CG2 4.32Å; L825-I828 WeakPolarHBondContact O-CB 3.45Å; L825-I828 WeakPolarHBondContact O-CG2 3.4Å; L825-I828 PolarHBondContact O-N 2.89Å; P826-I828 PolarHBondContact O-N 3.46Å; I828-A839 HydrophobicContact CB-CB 4.32Å; I828-A839 HydrophobicContact CD1-CB 3.95Å; I828-E840 HydrophobicContact CD1-CG 3.86Å
829K87.9Confident89.5Confident142 Ų14248 Ų4862%0.61728%0.279SS*.G310 helixtrans-1018173.7-65177.9-177.2170.70112.9K810 D827 S831K810-K829 WeakPolarHBondContact O-CE 3.3Å; D827-K829 PolarHBondContact O-N 3.16Å; K829-S831 PolarHBondContact O-N 2.96Å
830S84.5Confident89.3Confident19 Ų1949.5 Ų49.513%0.13328%0.284CS..  trans-56.7134.6-177.1-168.10000111.4D827 N832 R836D827-S830 WeakPolarHBondContact O-CB 3.28Å; D827-S830 PolarHBondContact O-N 3.47Å; S830-N832 PolarHBondContact O-N 3.29Å; S830-N832 PolarHBondContact OG-N 3.46Å; S830-R836 PolarHBondContact O-NH1 2.74Å
831S82.4Confident89Confident98 Ų9854.4 Ų54.469%0.68530%0.301SS*.SBendtrans-63.2-30.9172.155.30000111.2K829 G833 R836K829-S831 PolarHBondContact O-N 2.96Å; S831-G833 PolarHBondContact O-N 3.38Å; S831-R836 PolarHBondContact O-NH1 3.09Å
832N80.6Confident88.7Confident52 Ų5256.1 Ų56.128%0.27832%0.316SS..SBendtrans-69.3112.7175.8-174.1-49.4000111.2S830 A834 R835 R836S830-N832 PolarHBondContact O-N 3.29Å; S830-N832 PolarHBondContact OG-N 3.46Å; N832-A834 VanDerWaalsContact C-N 3.3Å; N832-A834 PolarHBondContact O-N 3Å; N832-A834 WeakPolarHBondContact OD1-CB 3.43Å; N832-A834 PolarHBondContact OD1-N 3.1Å; N832-R835 HydrophobicContact CB-CB 4.2Å; N832-R835 HydrophobicContact CB-CG 4.22Å; N832-R835 PolarHBondContact O-N 3.36Å; N832-R835 PolarHBondContact OD1-N 3.44Å; N832-R836 WeakPolarHBondContact O-CB 3.47Å; N832-R836 PolarHBondContact O-N 2.83Å
833G83.1Confident88.5Confident37 Ų3754.6 Ų54.638%0.38131%0.311SS..Hα-helixtrans-59.9-33.6-177.700000114.7S831 A837S831-G833 PolarHBondContact O-N 3.38Å; G833-A837 VanDerWaalsContact O-CB 3.26Å; G833-A837 WeakPolarHBondContact O-CB 3.12Å; G833-A837 PolarHBondContact O-N 3.32Å
834A78.9Confident88.3Confident73 Ų7354.4 Ų54.460%0.60331%0.31SS*.Hα-helixtrans-72.2-40.4179.300000112.1N832 A838N832-A834 VanDerWaalsContact C-N 3.3Å; N832-A834 PolarHBondContact O-N 3Å; N832-A834 WeakPolarHBondContact OD1-CB 3.43Å; N832-A834 PolarHBondContact OD1-N 3.1Å; A834-A838 PolarHBondContact O-N 2.93Å
835R80.2Confident88Confident87 Ų8753 Ų5333%0.32831%0.306SS..Hα-helixtrans-66.8-47.1174.9-69.6-173.4-178.2153.20.5111.2P27 D827 N832 A837 A838 A839P27-R835 VanDerWaalsContact CG-NH1 3.27Å; D827-R835 HydrophobicContact CB-CB 4.35Å; N832-R835 HydrophobicContact CB-CB 4.2Å; N832-R835 HydrophobicContact CB-CG 4.22Å; N832-R835 PolarHBondContact O-N 3.36Å; N832-R835 PolarHBondContact OD1-N 3.44Å; R835-A837 VanDerWaalsContact C-N 3.33Å; R835-A837 PolarHBondContact O-N 2.76Å; R835-A838 WeakPolarHBondContact O-CA 3.29Å; R835-A838 WeakPolarHBondContact O-CB 3.24Å; R835-A838 PolarHBondContact O-N 3.09Å; R835-A839 PolarHBondContact O-N 3.24Å
836R90.6Very high88Confident85 Ų8552.8 Ų52.832%0.32131%0.306SS..Hα-helixtrans-56.7-46175.4-173.8171.663.6-111.61.7111.9S830 S831 N832 A838 A839 E840S830-R836 PolarHBondContact O-NH1 2.74Å; S831-R836 PolarHBondContact O-NH1 3.09Å; N832-R836 WeakPolarHBondContact O-CB 3.47Å; N832-R836 PolarHBondContact O-N 2.83Å; R836-A838 VanDerWaalsContact C-N 3.3Å; R836-A838 PolarHBondContact O-N 3.39Å; R836-A839 PolarHBondContact O-N 3.32Å; R836-E840 WeakPolarHBondContact O-CG 3.17Å; R836-E840 PolarHBondContact O-N 3.34Å
837A87Confident88.3Confident37 Ų3748 Ų4831%0.30628%0.275SS..Hα-helixtrans-65.6-29.8176.100000113.5G833 R835 R841G833-A837 VanDerWaalsContact O-CB 3.26Å; G833-A837 WeakPolarHBondContact O-CB 3.12Å; G833-A837 PolarHBondContact O-N 3.32Å; R835-A837 VanDerWaalsContact C-N 3.33Å; R835-A837 PolarHBondContact O-N 2.76Å; A837-R841 WeakPolarHBondContact O-CG 3.31Å; A837-R841 PolarHBondContact O-N 2.96Å; A837-R841 PolarHBondContact O-NE 3.18Å; A837-R841 VanDerWaalsContact O-NE 3.12Å
838A86.4Confident88.5Confident44 Ų4445 Ų4536%0.36426%0.259SS..Hα-helixtrans-69.2-43.9170.900000111.6A834 R835 R836 R841 A842A834-A838 PolarHBondContact O-N 2.93Å; R835-A838 WeakPolarHBondContact O-CA 3.29Å; R835-A838 WeakPolarHBondContact O-CB 3.24Å; R835-A838 PolarHBondContact O-N 3.09Å; R836-A838 VanDerWaalsContact C-N 3.3Å; R836-A838 PolarHBondContact O-N 3.39Å; A838-R841 PolarHBondContact O-N 2.87Å; A838-A842 PolarHBondContact O-N 3.44Å
839A91.5Very high88.5Confident9 Ų946.5 Ų46.57%0.07427%0.266CS..Hα-helixtrans-62.8-40.6175.200000112.3D827 I828 R835 R836 R841 A842 A843D827-A839 HydrophobicContact CB-CB 3.99Å; I828-A839 HydrophobicContact CB-CB 4.32Å; I828-A839 HydrophobicContact CD1-CB 3.95Å; R835-A839 PolarHBondContact O-N 3.24Å; R836-A839 PolarHBondContact O-N 3.32Å; A839-R841 VanDerWaalsContact C-N 3.32Å; A839-R841 PolarHBondContact O-N 3.03Å; A839-A842 WeakPolarHBondContact O-CB 3.2Å; A839-A842 PolarHBondContact O-N 2.85Å; A839-A843 WeakPolarHBondContact O-CB 3.38Å; A839-A843 PolarHBondContact O-N 3.45Å
840E92.4Very high88.9Confident63 Ų6339.7 Ų39.729%0.29424%0.236SC..Hα-helixtrans-61.5-38175-74.9171.5-175.100112.4R806 I828 R836 A843 I844R806-E840 HydrophobicContact CG-CB 4.2Å; R806-E840 HydrophobicContact CG-CG 4.31Å; I828-E840 HydrophobicContact CD1-CG 3.86Å; R836-E840 WeakPolarHBondContact O-CG 3.17Å; R836-E840 PolarHBondContact O-N 3.34Å; E840-A843 WeakPolarHBondContact O-CB 3.38Å; E840-A843 PolarHBondContact O-N 2.57Å; E840-I844 WeakPolarHBondContact O-CG1 3.3Å; E840-I844 PolarHBondContact O-N 3.48Å
841R90Very high89.5Confident110 Ų11038.8 Ų38.842%0.41523%0.23SC..Hα-helixtrans-69.2-42.7173.7-72.8177.9-69.1-166.82.5111.7G767 A837 A838 A839 A843 I844 N845G767-R841 VanDerWaalsContact O-CD 3.23Å; G767-R841 WeakPolarHBondContact O-CD 3.4Å; G767-R841 WeakPolarHBondContact O-CG 3.3Å; A837-R841 WeakPolarHBondContact O-CG 3.31Å; A837-R841 PolarHBondContact O-N 2.96Å; A837-R841 PolarHBondContact O-NE 3.18Å; A837-R841 VanDerWaalsContact O-NE 3.12Å; A838-R841 PolarHBondContact O-N 2.87Å; A839-R841 VanDerWaalsContact C-N 3.32Å; A839-R841 PolarHBondContact O-N 3.03Å; R841-A843 VanDerWaalsContact C-N 3.28Å; R841-A843 PolarHBondContact O-N 2.58Å; R841-I844 PolarHBondContact O-N 2.89Å; R841-N845 PolarHBondContact O-N 3.17Å; R841-N845 PolarHBondContact O-ND2 2.98Å; R841-N845 PolarHBondContact O-OD1 2.95Å
842A92.1Very high90.2Very high42 Ų4234.4 Ų34.435%0.34720%0.199SC..Hα-helixtrans-59.5-41174.200000111.3L825 A838 A839 I844 N845 A846L825-A842 HydrophobicContact CD2-CB 3.86Å; A838-A842 PolarHBondContact O-N 3.44Å; A839-A842 WeakPolarHBondContact O-CB 3.2Å; A839-A842 PolarHBondContact O-N 2.85Å; A842-I844 VanDerWaalsContact C-N 3.29Å; A842-I844 PolarHBondContact O-N 3.17Å; A842-N845 PolarHBondContact O-N 3.07Å; A842-A846 WeakPolarHBondContact O-CB 3.39Å; A842-A846 PolarHBondContact O-N 2.78Å
843A93.8Very high91Very high0 Ų032.2 Ų32.20%019%0.188CC..Hα-helixtrans-57.8-38.817800000113.2T805 A809 V815 L825 A839 E840 R841 P847T805-A843 HydrophobicContact CG2-CB 4.48Å; T805-A843 WeakPolarHBondContact CG2-O 3.46Å; A809-A843 HydrophobicContact CB-CB 3.76Å; V815-A843 HydrophobicContact CG1-CB 4.19Å; L825-A843 HydrophobicContact CD1-CB 3.45Å; L825-A843 VanDerWaalsContact CD1-CB 3.45Å; L825-A843 HydrophobicContact CD2-CB 4.48Å; A839-A843 WeakPolarHBondContact O-CB 3.38Å; A839-A843 PolarHBondContact O-N 3.45Å; E840-A843 WeakPolarHBondContact O-CB 3.38Å; E840-A843 PolarHBondContact O-N 2.57Å; R841-A843 VanDerWaalsContact C-N 3.28Å; R841-A843 PolarHBondContact O-N 2.58Å; A843-P847 WeakPolarHBondContact O-CD 3.37Å; A843-P847 WeakPolarHBondContact O-CG 3.36Å
844I91.6Very high91.8Very high2 Ų230.4 Ų30.41%0.0117%0.17CC..Hα-helixtrans-71.3-42.5179.4-65.2162.5000110.3Y801 M802 R806 E840 R841 A842 M848Y801-I844 HydrophobicContact CE1-CG2 4.33Å; Y801-I844 PolarHBondContact OH-O 3.1Å; M802-I844 HydrophobicContact CB-CD1 4.16Å; M802-I844 HydrophobicContact CB-CG1 4.45Å; M802-I844 HydrophobicContact CE-CD1 3.84Å; M802-I844 HydrophobicContact CE-CG2 4.39Å; M802-I844 HydrophobicContact CG-CD1 4.28Å; M802-I844 HydrophobicContact CG-CG2 3.98Å; R806-I844 HydrophobicContact CG-CD1 4.23Å; R806-I844 HydrophobicContact CG-CG1 4.4Å; R806-I844 VanDerWaalsContact NH1-CD1 3.34Å; E840-I844 WeakPolarHBondContact O-CG1 3.3Å; E840-I844 PolarHBondContact O-N 3.48Å; R841-I844 PolarHBondContact O-N 2.89Å; A842-I844 VanDerWaalsContact C-N 3.29Å; A842-I844 PolarHBondContact O-N 3.17Å; I844-M848 HydrophobicContact CG2-CE 4.36Å; I844-M848 VanDerWaalsContact O-CE 3.24Å; I844-M848 WeakPolarHBondContact O-CE 3.48Å
845N90.7Very high92.7Very high23 Ų2327 Ų2712%0.12314%0.141CC..Hα-helixtrans-81.3-37.2-170.6-59.4-5.5000113.2I765 Y766 R841 A842 M848 Q849I765-N845 PolarHBondContact O-OD1 3.25Å; Y766-N845 VanDerWaalsContact C-ND2 3.34Å; Y766-N845 WeakPolarHBondContact CA-ND2 3.37Å; Y766-N845 WeakPolarHBondContact CA-OD1 3.3Å; Y766-N845 PolarHBondContact O-ND2 3.26Å; Y766-N845 PolarHBondContact O-OD1 3.48Å; R841-N845 PolarHBondContact O-N 3.17Å; R841-N845 PolarHBondContact O-ND2 2.98Å; R841-N845 PolarHBondContact O-OD1 2.95Å; A842-N845 PolarHBondContact O-N 3.07Å; N845-M848 PolarHBondContact O-N 2.9Å; N845-Q849 PolarHBondContact O-N 3.37Å
846A93.2Very high93.6Very high10 Ų1023 Ų238%0.08313%0.126CC..Hα-helixtrans-62.2-42.1-169.900000112.8T666 V815 L823 A842 M848 Q849 G850T666-A846 HydrophobicContact CG2-CB 4.32Å; V815-A846 HydrophobicContact CG2-CB 4.39Å; L823-A846 HydrophobicContact CB-CB 4.27Å; L823-A846 HydrophobicContact CD1-CB 3.62Å; L823-A846 VanDerWaalsContact CD1-O 3.24Å; L823-A846 WeakPolarHBondContact CD1-O 3.41Å; L823-A846 HydrophobicContact CG-CB 4.46Å; A842-A846 WeakPolarHBondContact O-CB 3.39Å; A842-A846 PolarHBondContact O-N 2.78Å; A846-M848 VanDerWaalsContact C-N 3.31Å; A846-M848 PolarHBondContact O-N 3.44Å; A846-Q849 PolarHBondContact O-N 3.01Å; A846-G850 PolarHBondContact O-N 2.97Å
847P94.9Very high93.9Very high6 Ų619 Ų194%0.03911%0.111CC..Hα-helixtrans-59.7-38.7175.1-27.737.4000113.3L717 V815 A843 T851L717-P847 HydrophobicContact CD1-CB 4.3Å; V815-P847 HydrophobicContact CB-CG 3.86Å; V815-P847 HydrophobicContact CG2-CG 3.61Å; A843-P847 WeakPolarHBondContact O-CD 3.37Å; A843-P847 WeakPolarHBondContact O-CG 3.36Å; P847-T851 WeakPolarHBondContact O-CB 3.45Å; P847-T851 PolarHBondContact O-N 2.81Å; P847-T851 PolarHBondContact O-OG1 2.96Å
848M93.2Very high94.5Very high2 Ų221 Ų211%0.0111%0.111CC..Hα-helixtrans-69.3-50.1179.2-68178.3-65.600111.3I713 M714 L717 I765 I844 N845 A846 G850 T851 A852I713-M848 HydrophobicContact CG2-CB 4.3Å; I713-M848 HydrophobicContact CG2-CG 4.13Å; M714-M848 HydrophobicContact CB-SD 3.85Å; M714-M848 HydrophobicContact CE-CE 3.83Å; M714-M848 HydrophobicContact CE-SD 3.4Å; M714-M848 WeakPolarHBondContact CE-SD 3.44Å; M714-M848 HydrophobicContact CG-SD 4.31Å; M714-M848 HydrophobicContact SD-SD 3.83Å; L717-M848 HydrophobicContact CD1-CG 3.84Å; I765-M848 HydrophobicContact CG2-CE 3.57Å; I765-M848 HydrophobicContact CG2-SD 3.79Å; I765-M848 WeakPolarHBondContact O-CE 3.21Å; I844-M848 HydrophobicContact CG2-CE 4.36Å; I844-M848 VanDerWaalsContact O-CE 3.24Å; I844-M848 WeakPolarHBondContact O-CE 3.48Å; N845-M848 PolarHBondContact O-N 2.9Å; A846-M848 VanDerWaalsContact C-N 3.31Å; A846-M848 PolarHBondContact O-N 3.44Å; M848-G850 VanDerWaalsContact C-N 3.32Å; M848-G850 PolarHBondContact O-N 2.9Å; M848-T851 PolarHBondContact O-N 3.11Å; M848-A852 PolarHBondContact O-N 3.46Å
849Q93.7Very high95.1Very high35 Ų3518.9 Ų18.916%0.1649%0.094CC..Hα-helixtrans-63-39.7178.5-72.5177.9-800112.1T666 R668 E710 N845 A846 A852 A853T666-Q849 HydrophobicContact CG2-CB 4.38Å; R668-Q849 VanDerWaalsContact NH2-CD 3.26Å; E710-Q849 WeakPolarHBondContact OE1-CG 3.44Å; N845-Q849 PolarHBondContact O-N 3.37Å; A846-Q849 PolarHBondContact O-N 3.01Å; Q849-A852 PolarHBondContact O-N 2.97Å; Q849-A853 PolarHBondContact O-N 3.29Å
850G96.4Very high95.4Very high0 Ų018.4 Ų18.40%09%0.09CC..Hα-helixtrans-71.2-3917800000112.8T666 T817 A846 M848 A852 A853 D854T666-G850 WeakPolarHBondContact O-CA 3.42Å; T817-G850 VanDerWaalsContact CG2-C 3.44Å; A846-G850 PolarHBondContact O-N 2.97Å; M848-G850 VanDerWaalsContact C-N 3.32Å; M848-G850 PolarHBondContact O-N 2.9Å; G850-A852 VanDerWaalsContact C-N 3.33Å; G850-A852 PolarHBondContact O-N 3.23Å; G850-A853 WeakPolarHBondContact O-CB 3.41Å; G850-A853 PolarHBondContact O-N 3.33Å; G850-D854 WeakPolarHBondContact O-CB 3.37Å; G850-D854 PolarHBondContact O-N 2.93Å
851T97.7Very high95.7Very high0 Ų017.1 Ų17.10%09%0.085CC..Hα-helixtrans-64-39.4173.3-59.90000111.3I713 L818 P847 M848 A853 D854 I855I713-T851 HydrophobicContact CD1-CG2 3.91Å; I713-T851 HydrophobicContact CG1-CG2 4.01Å; I713-T851 HydrophobicContact CG2-CG2 3.92Å; L818-T851 HydrophobicContact CB-CG2 4.07Å; L818-T851 HydrophobicContact CD1-CG2 3.47Å; L818-T851 VanDerWaalsContact CD1-CG2 3.47Å; L818-T851 HydrophobicContact CG-CG2 3.7Å; L818-T851 PolarHBondContact N-OG1 2.86Å; P847-T851 WeakPolarHBondContact O-CB 3.45Å; P847-T851 PolarHBondContact O-N 2.81Å; P847-T851 PolarHBondContact O-OG1 2.96Å; M848-T851 PolarHBondContact O-N 3.11Å; T851-A853 VanDerWaalsContact C-N 3.33Å; T851-A853 PolarHBondContact O-N 2.91Å; T851-D854 PolarHBondContact O-N 2.8Å; T851-I855 HydrophobicContact CG2-CD1 3.93Å; T851-I855 HydrophobicContact CG2-CG1 4.42Å; T851-I855 WeakPolarHBondContact O-CB 3.44Å; T851-I855 VanDerWaalsContact O-CG1 3.26Å; T851-I855 WeakPolarHBondContact O-CG1 3.21Å; T851-I855 PolarHBondContact O-N 3.16Å
852A96.9Very high96.1Very high5 Ų513.3 Ų13.34%0.0418%0.077CC..Hα-helixtrans-61.4-43.6174.300000111.3I709 I713 M848 Q849 G850 I855 I856I709-A852 HydrophobicContact CG1-CB 4.2Å; I709-A852 HydrophobicContact CG2-CB 4.24Å; I713-A852 HydrophobicContact CD1-CB 3.66Å; M848-A852 PolarHBondContact O-N 3.46Å; Q849-A852 PolarHBondContact O-N 2.97Å; G850-A852 VanDerWaalsContact C-N 3.33Å; G850-A852 PolarHBondContact O-N 3.23Å; A852-I855 PolarHBondContact O-N 2.86Å; A852-I856 PolarHBondContact O-N 2.77Å
853A97.7Very high96.4Very high6 Ų611.3 Ų11.35%0.056%0.06CC..Hα-helixtrans-62.4-41.2174.900000112.6R668 Q849 G850 T851 I856 K857R668-A853 HydrophobicContact CB-CB 4.48Å; R668-A853 HydrophobicContact CG-CB 3.86Å; Q849-A853 PolarHBondContact O-N 3.29Å; G850-A853 WeakPolarHBondContact O-CB 3.41Å; G850-A853 PolarHBondContact O-N 3.33Å; T851-A853 VanDerWaalsContact C-N 3.33Å; T851-A853 PolarHBondContact O-N 2.91Å; A853-I856 VanDerWaalsContact O-CG2 3.26Å; A853-I856 WeakPolarHBondContact O-CG2 3.38Å; A853-K857 WeakPolarHBondContact O-CB 3.19Å; A853-K857 WeakPolarHBondContact O-CG 3.23Å; A853-K857 PolarHBondContact O-N 3.08Å; A853-K857 VanDerWaalsContact O-N 3.16Å
854D98.3Very high96.7Very high0 Ų012 Ų120%06%0.064CC..Hα-helixtrans-64.5-43.2176.7-67.5-21.1000110.7I529 T817 R821 G850 T851 K857 R858I529-D854 HydrophobicContact CD1-CB 3.9Å; T817-D854 VanDerWaalsContact CB-OD2 3.29Å; T817-D854 WeakPolarHBondContact CB-OD2 3.46Å; T817-D854 PolarHBondContact OG1-OD2 3.37Å; R821-D854 IonicContact CZ-OD1 3.68Å; R821-D854 VanDerWaalsContact CZ-OD1 3.3Å; R821-D854 IonicContact NE-OD1 2.82Å; R821-D854 PolarHBondContact NE-OD1 3.3Å; R821-D854 VanDerWaalsContact NE-OD1 3.08Å; R821-D854 IonicContact NE-OD2 3.48Å; R821-D854 IonicContact NH2-OD1 2.78Å; R821-D854 PolarHBondContact NH2-OD1 2.98Å; G850-D854 WeakPolarHBondContact O-CB 3.37Å; G850-D854 PolarHBondContact O-N 2.93Å; T851-D854 PolarHBondContact O-N 2.8Å; D854-K857 PolarHBondContact O-N 2.97Å; D854-R858 WeakPolarHBondContact O-CG 3.27Å; D854-R858 PolarHBondContact O-N 3.11Å
855I98.3Very high97Very high0 Ų014.8 Ų14.80%09%0.087CC..Hα-helixtrans-61.4-49.2178.5-71.7169.3000111.9Y706 I709 I713 T851 A852 K857 R858 A859 T908 L910 L914Y706-I855 HydrophobicContact CE1-CG2 4.39Å; Y706-I855 HydrophobicContact CE2-CG2 3.91Å; I709-I855 HydrophobicContact CD1-CD1 4.03Å; I709-I855 HydrophobicContact CD1-CG2 4.33Å; I713-I855 HydrophobicContact CD1-CD1 4.1Å; I713-I855 HydrophobicContact CG1-CD1 4.16Å; T851-I855 HydrophobicContact CG2-CD1 3.93Å; T851-I855 HydrophobicContact CG2-CG1 4.42Å; T851-I855 WeakPolarHBondContact O-CB 3.44Å; T851-I855 VanDerWaalsContact O-CG1 3.26Å; T851-I855 WeakPolarHBondContact O-CG1 3.21Å; T851-I855 PolarHBondContact O-N 3.16Å; A852-I855 PolarHBondContact O-N 2.86Å; I855-K857 VanDerWaalsContact C-N 3.3Å; I855-K857 PolarHBondContact O-N 2.97Å; I855-R858 PolarHBondContact O-N 3.49Å; I855-A859 PolarHBondContact O-N 3.4Å; I855-T908 HydrophobicContact CD1-CG2 4.45Å; I855-T908 HydrophobicContact CG1-CG2 4.08Å; I855-L910 HydrophobicContact CD1-CD1 4.23Å; I855-L914 HydrophobicContact CG2-CD1 4.05Å
856I98.4Very high97.3Very high3 Ų314.6 Ų14.62%0.0159%0.085CC..Hα-helixtrans-64.3-36.6179.5-168.466.9000111.2Y706 A852 A853 A859 M860 Q879 L884 M904Y706-I856 HydrophobicContact CD2-CD1 4.06Å; Y706-I856 HydrophobicContact CE2-CD1 3.76Å; A852-I856 PolarHBondContact O-N 2.77Å; A853-I856 VanDerWaalsContact O-CG2 3.26Å; A853-I856 WeakPolarHBondContact O-CG2 3.38Å; I856-A859 WeakPolarHBondContact O-CB 3.38Å; I856-A859 PolarHBondContact O-N 3.04Å; I856-M860 VanDerWaalsContact O-CG 3.24Å; I856-M860 WeakPolarHBondContact O-CG 3.38Å; I856-M860 PolarHBondContact O-N 3.35Å; I856-Q879 HydrophobicContact CG1-CG 4.11Å; I856-L884 HydrophobicContact CD1-CD1 4.35Å; I856-L884 HydrophobicContact CD1-CD2 3.84Å; I856-L884 HydrophobicContact CD1-CG 3.77Å; I856-L884 HydrophobicContact CG1-CD2 4.12Å; I856-M904 HydrophobicContact CD1-CE 4.2Å
857K98.6Very high97.6Very high1 Ų114.8 Ų14.80%0.0048%0.084CC..Hα-helixtrans-64.8-42.6174.7-70.8175174.7-169.60112.2I529 E530 L533 G667 A853 D854 I855 A859 M860 I861I529-K857 HydrophobicContact CG2-CB 3.62Å; I529-K857 HydrophobicContact CG2-CD 3.77Å; I529-K857 HydrophobicContact CG2-CG 4.37Å; E530-K857 IonicContact OE1-NZ 3.85Å; E530-K857 PolarHBondContact OE1-NZ 2.65Å; E530-K857 IonicContact OE2-NZ 2.68Å; E530-K857 PolarHBondContact OE2-NZ 3.39Å; L533-K857 HydrophobicContact CD1-CB 4.4Å; L533-K857 HydrophobicContact CD1-CG 4.5Å; L533-K857 HydrophobicContact CD2-CB 4.06Å; L533-K857 HydrophobicContact CD2-CD 3.64Å; L533-K857 HydrophobicContact CD2-CG 3.53Å; G667-K857 WeakPolarHBondContact O-CE 3.28Å; G667-K857 PolarHBondContact O-NZ 3.26Å; A853-K857 WeakPolarHBondContact O-CB 3.19Å; A853-K857 WeakPolarHBondContact O-CG 3.23Å; A853-K857 PolarHBondContact O-N 3.08Å; A853-K857 VanDerWaalsContact O-N 3.16Å; D854-K857 PolarHBondContact O-N 2.97Å; I855-K857 VanDerWaalsContact C-N 3.3Å; I855-K857 PolarHBondContact O-N 2.97Å; K857-A859 VanDerWaalsContact C-N 3.3Å; K857-A859 PolarHBondContact O-N 3.35Å; K857-M860 WeakPolarHBondContact O-CB 3.3Å; K857-M860 PolarHBondContact O-N 3.4Å; K857-I861 WeakPolarHBondContact O-CD1 3.35Å; K857-I861 WeakPolarHBondContact O-CG1 3.49Å; K857-I861 PolarHBondContact O-N 3.34Å
858R98.4Very high97.6Very high79 Ų7919 Ų1930%0.29810%0.104SC..Hα-helixtrans-64.3-36.8175-69.6-17274.7-120-13111.8I529 D854 I855 I861 A862 C907 T908I529-R858 HydrophobicContact CD1-CG 4.07Å; I529-R858 HydrophobicContact CG1-CG 3.98Å; D854-R858 WeakPolarHBondContact O-CG 3.27Å; D854-R858 PolarHBondContact O-N 3.11Å; I855-R858 PolarHBondContact O-N 3.49Å; R858-I861 PolarHBondContact O-N 3.49Å; R858-A862 WeakPolarHBondContact O-CB 3.35Å; R858-A862 PolarHBondContact O-N 2.94Å; R858-C907 HydrophobicContact CB-CB 4.4Å; R858-C907 PolarHBondContact NH1-O 2.83Å; R858-C907 PolarHBondContact NH2-O 3.46Å; R858-T908 PolarHBondContact NH1-OG1 3.35Å
859A98.6Very high97.9Very high0 Ų022.9 Ų22.90%014%0.136CC..Hα-helixtrans-62.7-44.3171.500000112I855 I856 K857 I861 A862 V863 L884 M904 C907I855-A859 PolarHBondContact O-N 3.4Å; I856-A859 WeakPolarHBondContact O-CB 3.38Å; I856-A859 PolarHBondContact O-N 3.04Å; K857-A859 VanDerWaalsContact C-N 3.3Å; K857-A859 PolarHBondContact O-N 3.35Å; A859-I861 VanDerWaalsContact C-N 3.35Å; A859-I861 PolarHBondContact O-N 3.35Å; A859-A862 PolarHBondContact O-N 2.8Å; A859-V863 WeakPolarHBondContact O-CB 3.35Å; A859-V863 VanDerWaalsContact O-CG2 3.28Å; A859-V863 WeakPolarHBondContact O-CG2 3.2Å; A859-V863 PolarHBondContact O-N 3.24Å; A859-L884 HydrophobicContact CB-CD1 4.5Å; A859-M904 HydrophobicContact CB-CB 4.47Å; A859-M904 HydrophobicContact CB-CG 4.06Å; A859-C907 HydrophobicContact CB-CB 4.43Å
860M98.8Very high98.1Very high0 Ų027.5 Ų27.50%016%0.157CC..Hα-helixtrans-58.3-45.8175.1-66.6165.777.100111.8L533 V536 L537 I540 L669 I856 K857 V863 D864 M876 Q879 L884L533-M860 HydrophobicContact CD1-CB 3.98Å; L533-M860 HydrophobicContact CD1-CE 3.96Å; L533-M860 HydrophobicContact CD1-SD 4Å; V536-M860 HydrophobicContact CG1-CB 4.08Å; V536-M860 HydrophobicContact CG1-CE 4.47Å; L537-M860 HydrophobicContact CD2-CE 3.58Å; I540-M860 HydrophobicContact CD1-CE 3.45Å; I540-M860 VanDerWaalsContact CD1-CE 3.45Å; L669-M860 HydrophobicContact CD1-CE 4.11Å; L669-M860 HydrophobicContact CD1-SD 4.06Å; I856-M860 VanDerWaalsContact O-CG 3.24Å; I856-M860 WeakPolarHBondContact O-CG 3.38Å; I856-M860 PolarHBondContact O-N 3.35Å; K857-M860 WeakPolarHBondContact O-CB 3.3Å; K857-M860 PolarHBondContact O-N 3.4Å; M860-V863 PolarHBondContact O-N 2.93Å; M860-D864 VanDerWaalsContact O-CB 3.24Å; M860-D864 WeakPolarHBondContact O-CB 3.45Å; M860-D864 PolarHBondContact O-N 3.28Å; M860-M876 HydrophobicContact CB-SD 4.5Å; M860-M876 HydrophobicContact CG-SD 4.26Å; M860-Q879 HydrophobicContact CE-CB 4Å; M860-Q879 HydrophobicContact CE-CG 4.27Å; M860-Q879 HydrophobicContact SD-CB 4.18Å; M860-Q879 HydrophobicContact SD-CG 3.79Å; M860-L884 HydrophobicContact CG-CD1 4.07Å; M860-L884 HydrophobicContact CG-CD2 3.56Å; M860-L884 HydrophobicContact CG-CG 4.47Å; M860-L884 HydrophobicContact SD-CD2 4.27Å
861I98.7Very high98Very high36 Ų3635 Ų3519%0.18519%0.193CC..Hα-helixtrans-62.3-45.8177.7-66158000111I529 P532 L533 V536 K857 R858 A859 D864 A865I529-I861 WeakPolarHBondContact O-CD1 3.27Å; P532-I861 HydrophobicContact CB-CD1 3.96Å; P532-I861 HydrophobicContact CB-CG1 4.2Å; P532-I861 HydrophobicContact CB-CG2 4.23Å; L533-I861 HydrophobicContact CB-CD1 4.35Å; L533-I861 HydrophobicContact CB-CG1 4.41Å; L533-I861 HydrophobicContact CD1-CG1 4.3Å; V536-I861 HydrophobicContact CG2-CG1 4.42Å; K857-I861 WeakPolarHBondContact O-CD1 3.35Å; K857-I861 WeakPolarHBondContact O-CG1 3.49Å; K857-I861 PolarHBondContact O-N 3.34Å; R858-I861 PolarHBondContact O-N 3.49Å; A859-I861 VanDerWaalsContact C-N 3.35Å; A859-I861 PolarHBondContact O-N 3.35Å; I861-D864 PolarHBondContact O-N 2.9Å; I861-A865 WeakPolarHBondContact O-CB 3.42Å; I861-A865 PolarHBondContact O-N 2.81Å
862A98.6Very high98Very high30 Ų3036.7 Ų36.725%0.24820%0.203CC..Hα-helixtrans-64.8-43.718000000112.3R858 A859 W866R858-A862 WeakPolarHBondContact O-CB 3.35Å; R858-A862 PolarHBondContact O-N 2.94Å; A859-A862 PolarHBondContact O-N 2.8Å; A862-W866 PolarHBondContact O-N 3.45Å
863V98.6Very high98Very high0 Ų041.2 Ų41.20%022%0.219CC..Hα-helixtrans-67-45.2177.51750000110.6A859 M860 A865 W866 L867 M876 F886 L903 M904A859-V863 WeakPolarHBondContact O-CB 3.35Å; A859-V863 VanDerWaalsContact O-CG2 3.28Å; A859-V863 WeakPolarHBondContact O-CG2 3.2Å; A859-V863 PolarHBondContact O-N 3.24Å; M860-V863 PolarHBondContact O-N 2.93Å; V863-A865 PolarHBondContact O-N 3.46Å; V863-W866 HydrophobicContact CG1-CE3 4.23Å; V863-W866 WeakPolarHBondContact O-CB 3.32Å; V863-W866 PolarHBondContact O-N 2.81Å; V863-L867 HydrophobicContact CG1-CD1 4.19Å; V863-L867 HydrophobicContact CG1-CG 4.3Å; V863-L867 VanDerWaalsContact O-CG 3.3Å; V863-L867 WeakPolarHBondContact O-CG 3.29Å; V863-L867 PolarHBondContact O-N 2.95Å; V863-M876 HydrophobicContact CB-CE 3.59Å; V863-M876 HydrophobicContact CG1-CE 3.39Å; V863-F886 HydrophobicContact CG1-CE1 3.71Å; V863-F886 HydrophobicContact CG1-CZ 4.07Å; V863-L903 HydrophobicContact CG2-CB 3.98Å; V863-L903 HydrophobicContact CG2-CD1 4.12Å; V863-M904 HydrophobicContact CG2-CG 4.45Å
864D98.5Very high98.1Very high15 Ų1541.6 Ų41.68%0.0822%0.221CC..Hα-helixtrans-63-41.3177.7-18083.2000112.4V536 R539 M860 I861 W866 L867 Q868V536-D864 HydrophobicContact CB-CB 4.34Å; V536-D864 HydrophobicContact CG1-CB 3.82Å; V536-D864 HydrophobicContact CG2-CB 3.75Å; R539-D864 IonicContact CZ-OD1 2.73Å; R539-D864 IonicContact CZ-OD2 3.63Å; R539-D864 IonicContact NE-OD1 3.97Å; R539-D864 PolarHBondContact NE-OD1 2.95Å; R539-D864 IonicContact NE-OD2 3.83Å; R539-D864 PolarHBondContact NE-OD2 3.33Å; R539-D864 IonicContact NH2-OD1 3.33Å; R539-D864 IonicContact NH2-OD2 2.86Å; R539-D864 PolarHBondContact NH2-OD2 3.32Å; M860-D864 VanDerWaalsContact O-CB 3.24Å; M860-D864 WeakPolarHBondContact O-CB 3.45Å; M860-D864 PolarHBondContact O-N 3.28Å; I861-D864 PolarHBondContact O-N 2.9Å; D864-W866 VanDerWaalsContact C-N 3.28Å; D864-W866 PolarHBondContact O-N 3.36Å; D864-L867 WeakPolarHBondContact O-CB 3.46Å; D864-L867 PolarHBondContact O-N 3.26Å; D864-L867 VanDerWaalsContact O-N 3.1Å; D864-Q868 WeakPolarHBondContact O-CG 3.37Å; D864-Q868 PolarHBondContact O-N 3.45Å
865A98.2Very high98.1Very high59 Ų5947 Ų4749%0.48824%0.241SC..Hα-helixtrans-57.8-41.8174.600000112.2I861 V863 Q868 A869I861-A865 WeakPolarHBondContact O-CB 3.42Å; I861-A865 PolarHBondContact O-N 2.81Å; V863-A865 PolarHBondContact O-N 3.46Å; A865-Q868 PolarHBondContact O-N 2.99Å; A865-A869 WeakPolarHBondContact O-CB 3.3Å; A865-A869 PolarHBondContact O-N 3.49Å; A865-A869 VanDerWaalsContact O-N 3.07Å
866W98.5Very high98.1Very high19 Ų1947.2 Ų47.27%0.07224%0.242CC..Hα-helixtrans-64-45.6173164.570.2000112.1A862 V863 D864 Q868 A869 E870 P872 V874 V896 Q899 I900 L903A862-W866 PolarHBondContact O-N 3.45Å; V863-W866 HydrophobicContact CG1-CE3 4.23Å; V863-W866 WeakPolarHBondContact O-CB 3.32Å; V863-W866 PolarHBondContact O-N 2.81Å; D864-W866 VanDerWaalsContact C-N 3.28Å; D864-W866 PolarHBondContact O-N 3.36Å; W866-Q868 VanDerWaalsContact C-N 3.3Å; W866-Q868 PolarHBondContact O-N 2.78Å; W866-A869 PolarHBondContact O-N 2.98Å; W866-E870 PolarHBondContact NE1-OE1 3.11Å; W866-E870 PolarHBondContact NE1-OE2 2.94Å; W866-E870 PolarHBondContact O-N 3.3Å; W866-P872 HydrophobicContact CH2-CB 4.4Å; W866-P872 HydrophobicContact CH2-CG 3.56Å; W866-P872 HydrophobicContact CZ2-CB 4.22Å; W866-P872 HydrophobicContact CZ2-CG 3.44Å; W866-P872 VanDerWaalsContact CZ2-CG 3.44Å; W866-P872 HydrophobicContact CZ3-CG 4.19Å; W866-V874 HydrophobicContact CH2-CG1 3.89Å; W866-V874 HydrophobicContact CZ3-CG1 4.1Å; W866-V896 HydrophobicContact CH2-CB 4.43Å; W866-V896 HydrophobicContact CH2-CG1 4.06Å; W866-V896 HydrophobicContact CH2-CG2 4.16Å; W866-Q899 HydrophobicContact CD2-CG 3.89Å; W866-Q899 VanDerWaalsContact CE2-CG 3.48Å; W866-Q899 HydrophobicContact CE3-CG 4.48Å; W866-Q899 HydrophobicContact CG-CG 4.27Å; W866-Q899 HydrophobicContact CH2-CB 4.49Å; W866-Q899 HydrophobicContact CH2-CG 4.34Å; W866-Q899 HydrophobicContact CZ2-CB 4.11Å; W866-Q899 HydrophobicContact CZ2-CG 3.72Å; W866-I900 HydrophobicContact CZ3-CG1 4.3Å; W866-L903 HydrophobicContact CB-CD1 3.69Å; W866-L903 HydrophobicContact CD2-CD1 4.13Å; W866-L903 HydrophobicContact CE3-CD1 4.22Å; W866-L903 HydrophobicContact CG-CD1 3.9Å
867L98.1Very high98.1Very high15 Ų1547.3 Ų47.38%0.07924%0.243CC..Hα-helixtrans-57.8-41.6176.9-68.8176.7000112V863 D864 Q871 P872 V874 M876V863-L867 HydrophobicContact CG1-CD1 4.19Å; V863-L867 HydrophobicContact CG1-CG 4.3Å; V863-L867 VanDerWaalsContact O-CG 3.3Å; V863-L867 WeakPolarHBondContact O-CG 3.29Å; V863-L867 PolarHBondContact O-N 2.95Å; D864-L867 WeakPolarHBondContact O-CB 3.46Å; D864-L867 PolarHBondContact O-N 3.26Å; D864-L867 VanDerWaalsContact O-N 3.1Å; L867-Q871 VanDerWaalsContact O-CA 3.23Å; L867-Q871 WeakPolarHBondContact O-CA 3.43Å; L867-Q871 PolarHBondContact O-N 3.11Å; L867-P872 HydrophobicContact CD2-CG 4.06Å; L867-V874 HydrophobicContact CD2-CB 4.3Å; L867-V874 HydrophobicContact CD2-CG1 3.3Å; L867-V874 HydrophobicContact CD2-CG2 4.19Å; L867-M876 HydrophobicContact CD1-CB 4.29Å
868Q96.6Very high98Very high95 Ų9547.3 Ų47.344%0.44424%0.243SC..Hα-helixtrans-70.3-36178.3-63.1-45.9-59.300112.5D864 A865 W866D864-Q868 WeakPolarHBondContact O-CG 3.37Å; D864-Q868 PolarHBondContact O-N 3.45Å; A865-Q868 PolarHBondContact O-N 2.99Å; W866-Q868 VanDerWaalsContact C-N 3.3Å; W866-Q868 PolarHBondContact O-N 2.78Å
869A97.9Very high98Very high83 Ų8343.8 Ų43.869%0.68623%0.23SC*.Hα-helixtrans-75.6-45.4-177.200000113.1A865 W866A865-A869 WeakPolarHBondContact O-CB 3.3Å; A865-A869 PolarHBondContact O-N 3.49Å; A865-A869 VanDerWaalsContact O-N 3.07Å; W866-A869 PolarHBondContact O-N 2.98Å
870E97.7Very high97.9Very high132 Ų13244 Ų4462%0.61723%0.231SC*.Hα-helixtrans-98.7-17.6-174.1-68.6-176.5-158.300113.5W866 P872W866-E870 PolarHBondContact NE1-OE1 3.11Å; W866-E870 PolarHBondContact NE1-OE2 2.94Å; W866-E870 PolarHBondContact O-N 3.3Å; E870-P872 VanDerWaalsContact C-N 3.33Å
871Q95.9Very high97.7Very high158 Ų15848.4 Ų48.474%0.73825%0.252SS*.  trans43.849.2-175.2-57.8-176.518.300114.6L867L867-Q871 VanDerWaalsContact O-CA 3.23Å; L867-Q871 WeakPolarHBondContact O-CA 3.43Å; L867-Q871 PolarHBondContact O-N 3.11Å
872P97.1Very high97.6Very high35 Ų3548.9 Ų48.923%0.22726%0.255CS..  trans-67.5164.917626-24.6000111W866 L867 E870 V874W866-P872 HydrophobicContact CH2-CB 4.4Å; W866-P872 HydrophobicContact CH2-CG 3.56Å; W866-P872 HydrophobicContact CZ2-CB 4.22Å; W866-P872 HydrophobicContact CZ2-CG 3.44Å; W866-P872 VanDerWaalsContact CZ2-CG 3.44Å; W866-P872 HydrophobicContact CZ3-CG 4.19Å; L867-P872 HydrophobicContact CD2-CG 4.06Å; E870-P872 VanDerWaalsContact C-N 3.33Å; P872-V874 HydrophobicContact CB-CG1 3.82Å; P872-V874 HydrophobicContact CG-CG1 3.49Å; P872-V874 VanDerWaalsContact CG-CG1 3.49Å; P872-V874 PolarHBondContact O-N 2.64Å
873R97.6Very high97.6Very high100 Ų10047.7 Ų47.738%0.37724%0.244SC..SBendtrans-7662.2178.9-59.9178.8-68.8-178.2-6.1111.7Y699 H889 D891 D892Y699-R873 WeakPolarHBondContact CE1-O 3.14Å; R873-H889 HydrophobicContact CB-CB 3.65Å; R873-H889 VanDerWaalsContact CZ-ND1 3.34Å; R873-H889 PolarHBondContact NH1-CE1 3.34Å; R873-H889 PolarHBondContact NH1-ND1 2.74Å; R873-H889 PolarHBondContact NH1-NE2 3.14Å; R873-H889 VanDerWaalsContact NH1-NE2 3.19Å; R873-H889 PolarHBondContact O-N 3.29Å; R873-D891 IonicContact NH2-OD2 3.5Å; R873-D892 WeakPolarHBondContact CB-OD2 3.38Å; R873-D892 IonicContact CZ-OD1 2.92Å; R873-D892 IonicContact CZ-OD2 3.44Å; R873-D892 VanDerWaalsContact CZ-OD2 3.27Å; R873-D892 IonicContact NE-OD1 2.65Å; R873-D892 IonicContact NE-OD2 2.71Å; R873-D892 PolarHBondContact NE-OD2 2.86Å; R873-D892 IonicContact NH2-OD1 3.42Å; R873-D892 PolarHBondContact NH2-OD1 3.14Å; R873-D892 IonicContact NH2-OD2 3.63Å; R873-D892 PolarHBondContact NH2-OD2 3.46Å
874V98.1Very high97.6Very high14 Ų1447.7 Ų47.79%0.08524%0.244CC..EExtended strand (participates in β ladder)trans-143.1147.9-179.744.80000110.9W866 L867 P872 F886 E887 V888 V896W866-V874 HydrophobicContact CH2-CG1 3.89Å; W866-V874 HydrophobicContact CZ3-CG1 4.1Å; L867-V874 HydrophobicContact CD2-CB 4.3Å; L867-V874 HydrophobicContact CD2-CG1 3.3Å; L867-V874 HydrophobicContact CD2-CG2 4.19Å; P872-V874 HydrophobicContact CB-CG1 3.82Å; P872-V874 HydrophobicContact CG-CG1 3.49Å; P872-V874 VanDerWaalsContact CG-CG1 3.49Å; P872-V874 PolarHBondContact O-N 2.64Å; V874-F886 HydrophobicContact CG2-CB 4.11Å; V874-F886 HydrophobicContact CG2-CD1 3.98Å; V874-F886 HydrophobicContact CG2-CG 4.43Å; V874-E887 CarbonylContact C-O 3.5Å; V874-E887 WeakPolarHBondContact CA-O 3.32Å; V874-V888 HydrophobicContact CB-CG2 4.16Å; V874-V888 HydrophobicContact CG2-CG2 3.79Å; V874-V896 HydrophobicContact CB-CG1 4.15Å; V874-V896 HydrophobicContact CG1-CG1 4.24Å; V874-V896 HydrophobicContact CG1-CG2 4.29Å; V874-V896 HydrophobicContact CG2-CG1 4.03Å
875R98Very high97.6Very high113 Ų11347 Ų4743%0.42624%0.24SC..EExtended strand (participates in β ladder)trans-130.2132.8171.8-63.8177.7-176.3146.7-1.1109.7I877 F886 E887R875-I877 HydrophobicContact CB-CG2 4.14Å; R875-F886 CarbonylContact O-C 3.58Å; R875-F886 WeakPolarHBondContact O-CA 3.13Å; R875-E887 PolarHBondContact N-O 2.94Å; R875-E887 IonicContact NH1-OE2 3.77Å; R875-E887 PolarHBondContact O-N 2.77Å
876M98.7Very high97.6Very high4 Ų444.1 Ų44.12%0.0222%0.217CC..EExtended strand (participates in β ladder)trans-77.3124.5163.5-166.9-174.5-57.800108.6I540 N543 M860 V863 L867 L884 F886I540-M876 HydrophobicContact CD1-CG 4.05Å; I540-M876 HydrophobicContact CD1-SD 3.38Å; I540-M876 WeakPolarHBondContact CD1-SD 3.33Å; I540-M876 HydrophobicContact CG1-CB 4.21Å; I540-M876 HydrophobicContact CG1-CG 4.12Å; I540-M876 HydrophobicContact CG1-SD 4.01Å; N543-M876 PolarHBondContact ND2-O 3.31Å; M860-M876 HydrophobicContact CB-SD 4.5Å; M860-M876 HydrophobicContact CG-SD 4.26Å; V863-M876 HydrophobicContact CB-CE 3.59Å; V863-M876 HydrophobicContact CG1-CE 3.39Å; L867-M876 HydrophobicContact CD1-CB 4.29Å; M876-L884 HydrophobicContact CE-CD1 4.12Å; M876-L884 HydrophobicContact SD-CD1 4.33Å; M876-L884 HydrophobicContact SD-CD2 4.32Å; M876-F886 HydrophobicContact CB-CD1 3.82Å; M876-F886 HydrophobicContact CB-CE1 3.69Å; M876-F886 HydrophobicContact CE-CE1 3.71Å; M876-F886 HydrophobicContact CE-CZ 4.05Å; M876-F886 HydrophobicContact CG-CD1 4.04Å; M876-F886 HydrophobicContact CG-CE1 3.61Å; M876-F886 HydrophobicContact CG-CZ 4.17Å; M876-F886 HydrophobicContact SD-CE1 4.4Å
877I98.4Very high97.6Very high5 Ų543.2 Ų43.23%0.02621%0.213CC..EExtended strand (participates in β ladder)trans-118.5-27.2-170.862.1167.2000113.7I540 N543 V545 I701 R875 V885 E887I540-I877 WeakPolarHBondContact CG2-O 3.16Å; N543-I877 HydrophobicContact CB-CG2 4.46Å; V545-I877 HydrophobicContact CG1-CB 4.19Å; V545-I877 HydrophobicContact CG1-CD1 4.21Å; V545-I877 HydrophobicContact CG1-CG1 4.4Å; I701-I877 HydrophobicContact CD1-CD1 3.98Å; R875-I877 HydrophobicContact CB-CG2 4.14Å; I877-V885 HydrophobicContact CD1-CG1 4.04Å; I877-V885 HydrophobicContact CG1-CB 4.22Å; I877-V885 HydrophobicContact CG1-CG1 4.11Å; I877-V885 VanDerWaalsContact CG1-O 3.25Å; I877-V885 WeakPolarHBondContact CG1-O 3.16Å; I877-V885 PolarHBondContact N-O 2.92Å; I877-E887 HydrophobicContact CD1-CG 3.97Å; I877-E887 HydrophobicContact CG2-CG 3.89Å
878M98Very high97.6Very high1 Ų142.5 Ų42.51%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-146.1152.1177.1-58.7-176-7800112.3V545 Y659 L676 F693 V880 V885 W924V545-M878 HydrophobicContact CG1-CE 4.28Å; V545-M878 HydrophobicContact CG1-CG 3.34Å; V545-M878 HydrophobicContact CG1-SD 3.66Å; Y659-M878 WeakPolarHBondContact OH-CA 3.22Å; L676-M878 HydrophobicContact CB-SD 4.36Å; L676-M878 HydrophobicContact CD1-CG 4.21Å; L676-M878 HydrophobicContact CD1-SD 4Å; F693-M878 HydrophobicContact CD1-CE 4.32Å; F693-M878 HydrophobicContact CD1-SD 4.33Å; F693-M878 HydrophobicContact CE1-SD 4.5Å; M878-V880 HydrophobicContact CB-CG2 4.17Å; M878-V885 HydrophobicContact CB-CB 4.04Å; M878-V885 HydrophobicContact CB-CG2 4.22Å; M878-V885 HydrophobicContact CE-CB 3.91Å; M878-V885 HydrophobicContact CE-CG1 3.78Å; M878-V885 HydrophobicContact CE-CG2 4Å; M878-V885 PolarHBondContact N-O 2.9Å; M878-V885 PolarHBondContact O-N 3.41Å; M878-W924 HydrophobicContact CE-CD2 3.92Å; M878-W924 HydrophobicContact CE-CE3 4.1Å; M878-W924 HydrophobicContact CE-CG 4.28Å; M878-W924 HydrophobicContact CE-CZ2 4.45Å; M878-W924 HydrophobicContact CE-CZ3 4.45Å
879Q98Very high97.7Very high5 Ų539.1 Ų39.12%0.02319%0.194CC..EExtended strand (participates in β ladder)trans-119.6122.7160.6-178.7-87-13.700108.2Y659 L669 Q677 I856 M860 H881 E883 L884Y659-Q879 HydrophobicContact CE1-CB 4.25Å; Y659-Q879 WeakPolarHBondContact CE1-O 3.31Å; Y659-Q879 PolarHBondContact OH-N 3.3Å; L669-Q879 HydrophobicContact CD1-CG 4.3Å; Q677-Q879 WeakPolarHBondContact CG-O 3.33Å; I856-Q879 HydrophobicContact CG1-CG 4.11Å; M860-Q879 HydrophobicContact CE-CB 4Å; M860-Q879 HydrophobicContact CE-CG 4.27Å; M860-Q879 HydrophobicContact SD-CB 4.18Å; M860-Q879 HydrophobicContact SD-CG 3.79Å; Q879-H881 PolarHBondContact NE2-O 3.16Å; Q879-E883 CarbonylContact C-O 3.28Å; Q879-E883 WeakPolarHBondContact CA-O 3.22Å; Q879-L884 HydrophobicContact CB-CD2 3.87Å; Q879-L884 HydrophobicContact CG-CD2 3.7Å
880V97Very high97.7Very high5 Ų540.2 Ų40.23%0.0318%0.18CC..EExtended strand (participates in β ladder)trans-128.191.5-175.9-179.20000109M878 D882 E883 W924M878-V880 HydrophobicContact CB-CG2 4.17Å; V880-D882 PolarHBondContact O-N 3.1Å; V880-E883 HydrophobicContact CB-CB 4.28Å; V880-E883 PolarHBondContact N-O 3.09Å; V880-E883 VanDerWaalsContact O-CB 3.26Å; V880-E883 WeakPolarHBondContact O-CB 3.34Å; V880-E883 PolarHBondContact O-N 3.31Å; V880-W924 HydrophobicContact CB-CZ2 4.17Å; V880-W924 HydrophobicContact CG1-CH2 4.26Å; V880-W924 HydrophobicContact CG1-CZ2 4.05Å; V880-W924 HydrophobicContact CG2-CH2 3.93Å; V880-W924 HydrophobicContact CG2-CZ2 3.72Å
881H94.6Very high97.7Very high92 Ų9239.9 Ų39.943%0.42618%0.183SC..THydrogen-bonded Turntrans57.1-100.7-175.7-52.7-54.4000112.6Q677 Q879Q677-H881 PolarHBondContact O-NE2 3.33Å; Q879-H881 PolarHBondContact NE2-O 3.16Å
882D95.5Very high97.8Very high47 Ų4734.2 Ų34.225%0.25116%0.157SC..THydrogen-bonded Turntrans-1011.7-178.4-56.2-40.2000112.1D705 Y706 I709 V880D705-D882 VanDerWaalsContact OD1-C 3.28Å; D705-D882 WeakPolarHBondContact OD1-CB 3.43Å; Y706-D882 WeakPolarHBondContact CD2-O 3.46Å; Y706-D882 PolarHBondContact N-O 2.77Å; I709-D882 HydrophobicContact CG2-CB 4.22Å; I709-D882 VanDerWaalsContact CG2-CG 3.44Å; I709-D882 VanDerWaalsContact CG2-OD2 3.32Å; I709-D882 WeakPolarHBondContact CG2-OD2 3.47Å; V880-D882 PolarHBondContact O-N 3.1Å
883E98Very high97.8Very high4 Ų433.5 Ų33.52%0.01915%0.152CC..EExtended strand (participates in β ladder)trans-104.6135.5-175.5-178.3-175.2-164.300111.6R690 S703 A704 D705 Q879 V880 V885 W924 H928R690-E883 IonicContact NH2-OE2 3.27Å; S703-E883 WeakPolarHBondContact CB-OE1 3.32Å; S703-E883 VanDerWaalsContact OG-CD 3.29Å; S703-E883 WeakPolarHBondContact OG-CG 3.24Å; S703-E883 PolarHBondContact OG-OE1 2.97Å; A704-E883 CarbonylContact O-C 3.57Å; A704-E883 WeakPolarHBondContact O-CA 3.45Å; D705-E883 HydrophobicContact CB-CB 4.15Å; D705-E883 HydrophobicContact CB-CG 4.3Å; Q879-E883 CarbonylContact C-O 3.28Å; Q879-E883 WeakPolarHBondContact CA-O 3.22Å; V880-E883 HydrophobicContact CB-CB 4.28Å; V880-E883 PolarHBondContact N-O 3.09Å; V880-E883 VanDerWaalsContact O-CB 3.26Å; V880-E883 WeakPolarHBondContact O-CB 3.34Å; V880-E883 PolarHBondContact O-N 3.31Å; E883-V885 HydrophobicContact CG-CG2 3.91Å; E883-W924 PolarHBondContact OE1-NE1 3.18Å; E883-H928 IonicContact OE1-CE1 3.06Å; E883-H928 IonicContact OE1-CG 3.17Å; E883-H928 IonicContact OE1-ND1 2.68Å; E883-H928 PolarHBondContact OE1-ND1 3.36Å; E883-H928 IonicContact OE2-CE1 3.51Å; E883-H928 IonicContact OE2-ND1 3.81Å
884L98.6Very high97.8Very high0 Ų035.6 Ų35.60%017%0.171CC..EExtended strand (participates in β ladder)trans-108.8135.3163.3-60.4-176000109.7A704 I856 A859 M860 M876 Q879 F886 M904A704-L884 PolarHBondContact N-O 2.88Å; A704-L884 PolarHBondContact O-N 3.3Å; I856-L884 HydrophobicContact CD1-CD1 4.35Å; I856-L884 HydrophobicContact CD1-CD2 3.84Å; I856-L884 HydrophobicContact CD1-CG 3.77Å; I856-L884 HydrophobicContact CG1-CD2 4.12Å; A859-L884 HydrophobicContact CB-CD1 4.5Å; M860-L884 HydrophobicContact CG-CD1 4.07Å; M860-L884 HydrophobicContact CG-CD2 3.56Å; M860-L884 HydrophobicContact CG-CG 4.47Å; M860-L884 HydrophobicContact SD-CD2 4.27Å; M876-L884 HydrophobicContact CE-CD1 4.12Å; M876-L884 HydrophobicContact SD-CD1 4.33Å; M876-L884 HydrophobicContact SD-CD2 4.32Å; Q879-L884 HydrophobicContact CB-CD2 3.87Å; Q879-L884 HydrophobicContact CG-CD2 3.7Å; L884-F886 HydrophobicContact CB-CE2 3.47Å; L884-F886 VanDerWaalsContact CB-CE2 3.47Å; L884-F886 HydrophobicContact CB-CZ 3.6Å; L884-F886 HydrophobicContact CD1-CZ 4.08Å; L884-F886 HydrophobicContact CG-CZ 4.49Å; L884-F886 WeakPolarHBondContact O-CE2 3.43Å; L884-M904 HydrophobicContact CD1-CE 4.35Å; L884-M904 HydrophobicContact CD1-SD 4.14Å; L884-M904 HydrophobicContact CG-CE 4.3Å; L884-M904 HydrophobicContact CG-SD 4.49Å
885V98.7Very high97.8Very high0 Ų038.4 Ų38.40%020%0.195CC..EExtended strand (participates in β ladder)trans-118.8138.4-178.5-169.50000110.2I701 V702 I877 M878 E883I701-V885 HydrophobicContact CG2-CG1 3.55Å; V702-V885 CarbonylContact O-C 3.45Å; V702-V885 WeakPolarHBondContact O-CA 3.41Å; I877-V885 HydrophobicContact CD1-CG1 4.04Å; I877-V885 HydrophobicContact CG1-CB 4.22Å; I877-V885 HydrophobicContact CG1-CG1 4.11Å; I877-V885 VanDerWaalsContact CG1-O 3.25Å; I877-V885 WeakPolarHBondContact CG1-O 3.16Å; I877-V885 PolarHBondContact N-O 2.92Å; M878-V885 HydrophobicContact CB-CB 4.04Å; M878-V885 HydrophobicContact CB-CG2 4.22Å; M878-V885 HydrophobicContact CE-CB 3.91Å; M878-V885 HydrophobicContact CE-CG1 3.78Å; M878-V885 HydrophobicContact CE-CG2 4Å; M878-V885 PolarHBondContact N-O 2.9Å; M878-V885 PolarHBondContact O-N 3.41Å; E883-V885 HydrophobicContact CG-CG2 3.91Å
886F98.8Very high97.8Very high0 Ų033.2 Ų33.20%018%0.176CC..EExtended strand (participates in β ladder)trans-132150.4-172-54.4-94.3000111.9I701 V702 A704 V863 V874 R875 M876 L884 V888 I900I701-F886 WeakPolarHBondContact CA-O 3.35Å; V702-F886 HydrophobicContact CB-CB 4.32Å; V702-F886 PolarHBondContact N-O 3.49Å; V702-F886 PolarHBondContact O-N 3.32Å; A704-F886 HydrophobicContact CB-CE2 4.3Å; V863-F886 HydrophobicContact CG1-CE1 3.71Å; V863-F886 HydrophobicContact CG1-CZ 4.07Å; V874-F886 HydrophobicContact CG2-CB 4.11Å; V874-F886 HydrophobicContact CG2-CD1 3.98Å; V874-F886 HydrophobicContact CG2-CG 4.43Å; R875-F886 CarbonylContact O-C 3.58Å; R875-F886 WeakPolarHBondContact O-CA 3.13Å; M876-F886 HydrophobicContact CB-CD1 3.82Å; M876-F886 HydrophobicContact CB-CE1 3.69Å; M876-F886 HydrophobicContact CE-CE1 3.71Å; M876-F886 HydrophobicContact CE-CZ 4.05Å; M876-F886 HydrophobicContact CG-CD1 4.04Å; M876-F886 HydrophobicContact CG-CE1 3.61Å; M876-F886 HydrophobicContact CG-CZ 4.17Å; M876-F886 HydrophobicContact SD-CE1 4.4Å; L884-F886 HydrophobicContact CB-CE2 3.47Å; L884-F886 VanDerWaalsContact CB-CE2 3.47Å; L884-F886 HydrophobicContact CB-CZ 3.6Å; L884-F886 HydrophobicContact CD1-CZ 4.08Å; L884-F886 HydrophobicContact CG-CZ 4.49Å; L884-F886 WeakPolarHBondContact O-CE2 3.43Å; F886-V888 HydrophobicContact CB-CG2 3.96Å; F886-I900 HydrophobicContact CD1-CD1 3.94Å; F886-I900 HydrophobicContact CD2-CD1 3.8Å; F886-I900 HydrophobicContact CE1-CD1 3.98Å; F886-I900 HydrophobicContact CE1-CG1 4.43Å; F886-I900 HydrophobicContact CE2-CD1 3.83Å; F886-I900 HydrophobicContact CE2-CG1 4.46Å; F886-I900 HydrophobicContact CE2-CG2 3.83Å; F886-I900 HydrophobicContact CG-CD1 3.86Å; F886-I900 HydrophobicContact CZ-CD1 3.92Å; F886-I900 HydrophobicContact CZ-CG1 4.24Å; F886-I900 HydrophobicContact CZ-CG2 3.98Å
887E98.6Very high97.7Very high0 Ų033.9 Ų33.90%018%0.183CC..EExtended strand (participates in β ladder)trans-96.2124.5157.5-66.6177.2160.100107.9R654 P696 Y699 I701 V874 R875 I877R654-E887 IonicContact CZ-OE1 2.74Å; R654-E887 IonicContact CZ-OE2 2.82Å; R654-E887 IonicContact NH1-OE1 3.41Å; R654-E887 PolarHBondContact NH1-OE1 2.82Å; R654-E887 IonicContact NH1-OE2 3.22Å; R654-E887 PolarHBondContact NH1-OE2 3.05Å; R654-E887 VanDerWaalsContact NH2-CD 3.25Å; R654-E887 IonicContact NH2-OE1 2.7Å; R654-E887 PolarHBondContact NH2-OE1 3.14Å; R654-E887 IonicContact NH2-OE2 2.91Å; R654-E887 PolarHBondContact NH2-OE2 3.14Å; P696-E887 WeakPolarHBondContact CD-OE1 3.21Å; Y699-E887 HydrophobicContact CD1-CB 4.08Å; I701-E887 HydrophobicContact CD1-CG 4.22Å; V874-E887 CarbonylContact C-O 3.5Å; V874-E887 WeakPolarHBondContact CA-O 3.32Å; R875-E887 PolarHBondContact N-O 2.94Å; R875-E887 IonicContact NH1-OE2 3.77Å; R875-E887 PolarHBondContact O-N 2.77Å; I877-E887 HydrophobicContact CD1-CG 3.97Å; I877-E887 HydrophobicContact CG2-CG 3.89Å
888V98.6Very high97.7Very high0 Ų041 Ų410%021%0.213CC..EExtended strand (participates in β ladder)trans-127.9133.5-179.1-173.80000109.8Y699 V700 V702 V874 F886 R890 D892 V893 V896Y699-V888 CarbonylContact C-O 3.6Å; Y699-V888 VanDerWaalsContact CA-O 3.24Å; Y699-V888 WeakPolarHBondContact CA-O 3.19Å; V700-V888 PolarHBondContact N-O 3.01Å; V700-V888 PolarHBondContact O-N 3.14Å; V702-V888 HydrophobicContact CB-CG2 3.87Å; V702-V888 HydrophobicContact CG2-CB 3.92Å; V702-V888 HydrophobicContact CG2-CG2 3.54Å; V874-V888 HydrophobicContact CB-CG2 4.16Å; V874-V888 HydrophobicContact CG2-CG2 3.79Å; F886-V888 HydrophobicContact CB-CG2 3.96Å; V888-R890 PolarHBondContact O-N 2.76Å; V888-D892 HydrophobicContact CG1-CB 4.35Å; V888-V893 HydrophobicContact CB-CG2 4.47Å; V888-V893 HydrophobicContact CG1-CG2 4.18Å; V888-V896 HydrophobicContact CB-CG1 4.46Å; V888-V896 HydrophobicContact CG1-CB 3.78Å; V888-V896 HydrophobicContact CG1-CG1 3.8Å; V888-V896 HydrophobicContact CG1-CG2 3.91Å; V888-V896 HydrophobicContact CG2-CG1 3.72Å
889H98.5Very high97.7Very high24 Ų2443.5 Ų43.511%0.11123%0.225CC..EExtended strand (participates in β ladder)trans-60.2136.1174.5-171.8-78.1000110.3Y699 R873 D891 D892 V893Y699-H889 HydrophobicContact CD1-CB 4.34Å; Y699-H889 VanDerWaalsContact CD1-N 3.26Å; Y699-H889 HydrophobicContact CE1-CB 4.04Å; Y699-H889 HydrophobicContact CE2-CB 4.43Å; Y699-H889 AromaticContact CE2-CD2 3.89Å; R873-H889 HydrophobicContact CB-CB 3.65Å; R873-H889 VanDerWaalsContact CZ-ND1 3.34Å; R873-H889 PolarHBondContact NH1-CE1 3.34Å; R873-H889 PolarHBondContact NH1-ND1 2.74Å; R873-H889 PolarHBondContact NH1-NE2 3.14Å; R873-H889 VanDerWaalsContact NH1-NE2 3.19Å; R873-H889 PolarHBondContact O-N 3.29Å; H889-D891 VanDerWaalsContact C-N 3.26Å; H889-D891 IonicContact CE1-OD2 2.98Å; H889-D891 PolarHBondContact CE1-OD2 3.47Å; H889-D891 PolarHBondContact ND1-N 3Å; H889-D891 IonicContact ND1-OD2 3.8Å; H889-D891 PolarHBondContact O-N 2.91Å; H889-D891 VanDerWaalsContact O-N 3.12Å; H889-D892 PolarHBondContact O-N 3.01Å; H889-V893 PolarHBondContact O-N 2.64Å
890R97.7Very high97.7Very high106 Ų10643.2 Ų43.240%0.422%0.224SC..G310 helixtrans-49.7-43.2-173.2-76.4171.7-170.3-85.3-5.6113.8D698 V700 V888 D892 V893 E922D698-R890 WeakPolarHBondContact O-CG 3.39Å; D698-R890 PolarHBondContact O-N 3.15Å; V700-R890 HydrophobicContact CG1-CG 3.88Å; V888-R890 PolarHBondContact O-N 2.76Å; R890-D892 PolarHBondContact O-N 2.8Å; R890-V893 WeakPolarHBondContact O-CG2 3.47Å; R890-E922 IonicContact CZ-OE1 2.78Å; R890-E922 IonicContact CZ-OE2 3.99Å; R890-E922 IonicContact NH1-OE1 2.72Å; R890-E922 PolarHBondContact NH1-OE1 3.47Å; R890-E922 IonicContact NH1-OE2 3.86Å; R890-E922 VanDerWaalsContact NH2-CD 3.27Å; R890-E922 IonicContact NH2-OE1 3.45Å; R890-E922 PolarHBondContact NH2-OE1 3.09Å; R890-E922 IonicContact NH2-OE2 2.6Å; R890-E922 PolarHBondContact NH2-OE2 3.35Å
891D97.8Very high97.8Very high125 Ų12546 Ų4667%0.66824%0.236SC*.G310 helixtrans-68.1-18.4-179.7-58-22.4000114.7R873 H889R873-D891 IonicContact NH2-OD2 3.5Å; H889-D891 VanDerWaalsContact C-N 3.26Å; H889-D891 IonicContact CE1-OD2 2.98Å; H889-D891 PolarHBondContact CE1-OD2 3.47Å; H889-D891 PolarHBondContact ND1-N 3Å; H889-D891 IonicContact ND1-OD2 3.8Å; H889-D891 PolarHBondContact O-N 2.91Å; H889-D891 VanDerWaalsContact O-N 3.12Å
892D97.6Very high97.9Very high39 Ų3946.3 Ų46.321%0.20924%0.238CC..G310 helixtrans-106-2.1-172.6-59.8-24.3000112.8R873 V888 H889 R890 D894 A895 V896R873-D892 WeakPolarHBondContact CB-OD2 3.38Å; R873-D892 IonicContact CZ-OD1 2.92Å; R873-D892 IonicContact CZ-OD2 3.44Å; R873-D892 VanDerWaalsContact CZ-OD2 3.27Å; R873-D892 IonicContact NE-OD1 2.65Å; R873-D892 IonicContact NE-OD2 2.71Å; R873-D892 PolarHBondContact NE-OD2 2.86Å; R873-D892 IonicContact NH2-OD1 3.42Å; R873-D892 PolarHBondContact NH2-OD1 3.14Å; R873-D892 IonicContact NH2-OD2 3.63Å; R873-D892 PolarHBondContact NH2-OD2 3.46Å; V888-D892 HydrophobicContact CG1-CB 4.35Å; H889-D892 PolarHBondContact O-N 3.01Å; R890-D892 PolarHBondContact O-N 2.8Å; D892-D894 PolarHBondContact O-N 3.42Å; D892-A895 PolarHBondContact O-N 2.9Å; D892-V896 HydrophobicContact CB-CG2 3.94Å; D892-V896 WeakPolarHBondContact O-CB 3.07Å; D892-V896 VanDerWaalsContact O-CG2 3.3Å; D892-V896 WeakPolarHBondContact O-CG2 3.31Å; D892-V896 PolarHBondContact O-N 3.4Å
893V98Very high98.1Very high19 Ų1945.8 Ų45.812%0.11524%0.235CC..Hα-helixtrans-53-51.4-170.51750000112.4V700 V702 V888 H889 R890 A895 V896 A897V700-V893 HydrophobicContact CG2-CG2 3.35Å; V702-V893 HydrophobicContact CG2-CG1 4.31Å; V888-V893 HydrophobicContact CB-CG2 4.47Å; V888-V893 HydrophobicContact CG1-CG2 4.18Å; H889-V893 PolarHBondContact O-N 2.64Å; R890-V893 WeakPolarHBondContact O-CG2 3.47Å; V893-A895 PolarHBondContact O-N 3.02Å; V893-V896 PolarHBondContact O-N 3.31Å; V893-A897 WeakPolarHBondContact O-CB 3.48Å; V893-A897 PolarHBondContact O-N 3.35Å
894D97.6Very high98.1Very high144 Ų14445.6 Ų45.677%0.7723%0.234SC*.Hα-helixtrans-63.5-43.6-176.5-71-22000112.4D892 K898D892-D894 PolarHBondContact O-N 3.42Å; D894-K898 VanDerWaalsContact O-CB 3.32Å; D894-K898 WeakPolarHBondContact O-CB 3.4Å; D894-K898 PolarHBondContact O-N 3.01Å; D894-K898 VanDerWaalsContact O-N 3.14Å
895A97.5Very high98Very high73 Ų7347.7 Ų47.760%0.60324%0.244SC*.Hα-helixtrans-68.8-44.1-179.100000111.3D892 V893 Q899D892-A895 PolarHBondContact O-N 2.9Å; V893-A895 PolarHBondContact O-N 3.02Å; A895-Q899 WeakPolarHBondContact O-CB 3.41Å; A895-Q899 PolarHBondContact O-N 3.32Å; A895-Q899 VanDerWaalsContact O-N 3.11Å
896V97.5Very high97.9Very high4 Ų453.1 Ų53.12%0.02427%0.273CS..Hα-helixtrans-68.2-46.2179.2168.60000111.1W866 V874 V888 D892 V893 K898 Q899 I900W866-V896 HydrophobicContact CH2-CB 4.43Å; W866-V896 HydrophobicContact CH2-CG1 4.06Å; W866-V896 HydrophobicContact CH2-CG2 4.16Å; V874-V896 HydrophobicContact CB-CG1 4.15Å; V874-V896 HydrophobicContact CG1-CG1 4.24Å; V874-V896 HydrophobicContact CG1-CG2 4.29Å; V874-V896 HydrophobicContact CG2-CG1 4.03Å; V888-V896 HydrophobicContact CB-CG1 4.46Å; V888-V896 HydrophobicContact CG1-CB 3.78Å; V888-V896 HydrophobicContact CG1-CG1 3.8Å; V888-V896 HydrophobicContact CG1-CG2 3.91Å; V888-V896 HydrophobicContact CG2-CG1 3.72Å; D892-V896 HydrophobicContact CB-CG2 3.94Å; D892-V896 WeakPolarHBondContact O-CB 3.07Å; D892-V896 VanDerWaalsContact O-CG2 3.3Å; D892-V896 WeakPolarHBondContact O-CG2 3.31Å; D892-V896 PolarHBondContact O-N 3.4Å; V893-V896 PolarHBondContact O-N 3.31Å; V896-K898 VanDerWaalsContact C-N 3.32Å; V896-K898 PolarHBondContact O-N 2.77Å; V896-Q899 PolarHBondContact O-N 3.1Å; V896-Q899 VanDerWaalsContact O-N 3.15Å; V896-I900 HydrophobicContact CG1-CD1 3.53Å; V896-I900 HydrophobicContact CG1-CG1 4.25Å; V896-I900 WeakPolarHBondContact O-CG1 3.45Å; V896-I900 PolarHBondContact O-N 2.97Å
897A97.7Very high97.7Very high19 Ų1953.8 Ų53.816%0.15728%0.278CS..Hα-helixtrans-58.5-44.7177.900000111.3V893 Q899 I900 H901 V918V893-A897 WeakPolarHBondContact O-CB 3.48Å; V893-A897 PolarHBondContact O-N 3.35Å; A897-Q899 VanDerWaalsContact C-N 3.34Å; A897-Q899 PolarHBondContact O-N 3.49Å; A897-I900 PolarHBondContact O-N 2.87Å; A897-H901 VanDerWaalsContact O-CB 3.25Å; A897-H901 WeakPolarHBondContact O-CB 3.42Å; A897-H901 PolarHBondContact O-N 3.48Å; A897-V918 HydrophobicContact CB-CG1 3.84Å
898K97.8Very high97.5Very high154 Ų15454.6 Ų54.667%0.6728%0.282SS*.Hα-helixtrans-61.1-42.1175.9-177179.3177.5-177.50112.3D894 V896 Q902D894-K898 VanDerWaalsContact O-CB 3.32Å; D894-K898 WeakPolarHBondContact O-CB 3.4Å; D894-K898 PolarHBondContact O-N 3.01Å; D894-K898 VanDerWaalsContact O-N 3.14Å; V896-K898 VanDerWaalsContact C-N 3.32Å; V896-K898 PolarHBondContact O-N 2.77Å; K898-Q902 WeakPolarHBondContact O-CB 3.43Å; K898-Q902 PolarHBondContact O-N 3.4Å
899Q98.2Very high97.2Very high53 Ų5365.9 Ų65.925%0.24833%0.325CS..Hα-helixtrans-70-43.6-179.7-174.461.911.500112W866 A895 V896 A897 Q902 L903W866-Q899 HydrophobicContact CD2-CG 3.89Å; W866-Q899 VanDerWaalsContact CE2-CG 3.48Å; W866-Q899 HydrophobicContact CE3-CG 4.48Å; W866-Q899 HydrophobicContact CG-CG 4.27Å; W866-Q899 HydrophobicContact CH2-CB 4.49Å; W866-Q899 HydrophobicContact CH2-CG 4.34Å; W866-Q899 HydrophobicContact CZ2-CB 4.11Å; W866-Q899 HydrophobicContact CZ2-CG 3.72Å; A895-Q899 WeakPolarHBondContact O-CB 3.41Å; A895-Q899 PolarHBondContact O-N 3.32Å; A895-Q899 VanDerWaalsContact O-N 3.11Å; V896-Q899 PolarHBondContact O-N 3.1Å; V896-Q899 VanDerWaalsContact O-N 3.15Å; A897-Q899 VanDerWaalsContact C-N 3.34Å; A897-Q899 PolarHBondContact O-N 3.49Å; Q899-Q902 PolarHBondContact O-N 3.41Å; Q899-L903 HydrophobicContact CG-CD1 4.09Å; Q899-L903 VanDerWaalsContact O-CG 3.31Å; Q899-L903 WeakPolarHBondContact O-CG 3.34Å; Q899-L903 PolarHBondContact O-N 3.22Å
900I98.1Very high97.1Very high0 Ų065.5 Ų65.50%032%0.323CS..Hα-helixtrans-58.6-49.1174.1-69.5166.9000110.1A704 W866 F886 V896 A897 Q902 L903 M904A704-I900 HydrophobicContact CB-CG2 3.78Å; W866-I900 HydrophobicContact CZ3-CG1 4.3Å; F886-I900 HydrophobicContact CD1-CD1 3.94Å; F886-I900 HydrophobicContact CD2-CD1 3.8Å; F886-I900 HydrophobicContact CE1-CD1 3.98Å; F886-I900 HydrophobicContact CE1-CG1 4.43Å; F886-I900 HydrophobicContact CE2-CD1 3.83Å; F886-I900 HydrophobicContact CE2-CG1 4.46Å; F886-I900 HydrophobicContact CE2-CG2 3.83Å; F886-I900 HydrophobicContact CG-CD1 3.86Å; F886-I900 HydrophobicContact CZ-CD1 3.92Å; F886-I900 HydrophobicContact CZ-CG1 4.24Å; F886-I900 HydrophobicContact CZ-CG2 3.98Å; V896-I900 HydrophobicContact CG1-CD1 3.53Å; V896-I900 HydrophobicContact CG1-CG1 4.25Å; V896-I900 WeakPolarHBondContact O-CG1 3.45Å; V896-I900 PolarHBondContact O-N 2.97Å; A897-I900 PolarHBondContact O-N 2.87Å; I900-Q902 VanDerWaalsContact C-N 3.33Å; I900-Q902 PolarHBondContact O-N 2.99Å; I900-L903 PolarHBondContact O-N 2.75Å; I900-M904 HydrophobicContact CG2-CG 4.24Å; I900-M904 HydrophobicContact CG2-SD 3.73Å; I900-M904 WeakPolarHBondContact O-CB 3.44Å; I900-M904 WeakPolarHBondContact O-CG 3.41Å; I900-M904 PolarHBondContact O-N 2.99Å
901H97.7Very high97Very high62 Ų6264.9 Ų64.929%0.28733%0.328SS..Hα-helixtrans-53.5-49.9176.2-177.2-69.8000111.4A897 L903 E905 V916 V918A897-H901 VanDerWaalsContact O-CB 3.25Å; A897-H901 WeakPolarHBondContact O-CB 3.42Å; A897-H901 PolarHBondContact O-N 3.48Å; H901-L903 PolarHBondContact O-N 3.39Å; H901-E905 IonicContact CE1-OE1 2.8Å; H901-E905 PolarHBondContact CE1-OE1 3.17Å; H901-E905 IonicContact CE1-OE2 3.92Å; H901-E905 PolarHBondContact CE1-OE2 3.32Å; H901-E905 IonicContact ND1-OE1 3.69Å; H901-E905 IonicContact ND1-OE2 3.2Å; H901-E905 PolarHBondContact ND1-OE2 3.3Å; H901-E905 IonicContact NE2-OE1 3.66Å; H901-E905 WeakPolarHBondContact O-CG 3.45Å; H901-E905 PolarHBondContact O-N 3.11Å; H901-V916 PolarHBondContact CD2-O 2.72Å; H901-V916 VanDerWaalsContact CD2-O 3.31Å; H901-V916 PolarHBondContact NE2-O 3.16Å; H901-V918 HydrophobicContact CB-CG2 4.04Å
902Q97.9Very high96.7Very high99 Ų9959 Ų5946%0.46330%0.297SS..Hα-helixtrans-63.3-43.1179.7-174.9177.3-10.300112.4K898 Q899 I900 N906K898-Q902 WeakPolarHBondContact O-CB 3.43Å; K898-Q902 PolarHBondContact O-N 3.4Å; Q899-Q902 PolarHBondContact O-N 3.41Å; I900-Q902 VanDerWaalsContact C-N 3.33Å; I900-Q902 PolarHBondContact O-N 2.99Å; Q902-N906 VanDerWaalsContact O-CB 3.3Å; Q902-N906 WeakPolarHBondContact O-CB 3.19Å; Q902-N906 PolarHBondContact O-N 2.84Å; Q902-N906 PolarHBondContact O-ND2 2.96Å
903L98.3Very high96.5Very high37 Ų3760.8 Ų60.819%0.19431%0.31CS..Hα-helixtrans-67-42.1-179.1-71.2171.1000111.9V863 W866 Q899 I900 H901 C907V863-L903 HydrophobicContact CG2-CB 3.98Å; V863-L903 HydrophobicContact CG2-CD1 4.12Å; W866-L903 HydrophobicContact CB-CD1 3.69Å; W866-L903 HydrophobicContact CD2-CD1 4.13Å; W866-L903 HydrophobicContact CE3-CD1 4.22Å; W866-L903 HydrophobicContact CG-CD1 3.9Å; Q899-L903 HydrophobicContact CG-CD1 4.09Å; Q899-L903 VanDerWaalsContact O-CG 3.31Å; Q899-L903 WeakPolarHBondContact O-CG 3.34Å; Q899-L903 PolarHBondContact O-N 3.22Å; I900-L903 PolarHBondContact O-N 2.75Å; H901-L903 PolarHBondContact O-N 3.39Å; L903-C907 WeakPolarHBondContact O-CB 3.37Å; L903-C907 PolarHBondContact O-N 3.42Å
904M98.3Very high96.4Very high0 Ų060.3 Ų60.30%031%0.307CS..Hα-helixtrans-65.8-51.1178.4-68.8-175.464.500111.2A704 Y706 I856 A859 V863 L884 I900 N906 C907 V916A704-M904 HydrophobicContact CB-CE 4.25Å; A704-M904 HydrophobicContact CB-SD 3.48Å; A704-M904 WeakPolarHBondContact CB-SD 3.4Å; Y706-M904 HydrophobicContact CD2-CE 4.04Å; Y706-M904 HydrophobicContact CE1-CB 4.35Å; Y706-M904 HydrophobicContact CE2-CE 3.7Å; Y706-M904 PolarHBondContact OH-O 2.95Å; I856-M904 HydrophobicContact CD1-CE 4.2Å; A859-M904 HydrophobicContact CB-CB 4.47Å; A859-M904 HydrophobicContact CB-CG 4.06Å; V863-M904 HydrophobicContact CG2-CG 4.45Å; L884-M904 HydrophobicContact CD1-CE 4.35Å; L884-M904 HydrophobicContact CD1-SD 4.14Å; L884-M904 HydrophobicContact CG-CE 4.3Å; L884-M904 HydrophobicContact CG-SD 4.49Å; I900-M904 HydrophobicContact CG2-CG 4.24Å; I900-M904 HydrophobicContact CG2-SD 3.73Å; I900-M904 WeakPolarHBondContact O-CB 3.44Å; I900-M904 WeakPolarHBondContact O-CG 3.41Å; I900-M904 PolarHBondContact O-N 2.99Å; M904-N906 PolarHBondContact O-N 3.48Å; M904-C907 PolarHBondContact O-N 2.91Å; M904-C907 PolarHBondContact O-SG 3.47Å; M904-V916 HydrophobicContact CB-CG1 4.49Å; M904-V916 HydrophobicContact CB-CG2 3.68Å; M904-V916 HydrophobicContact CE-CG1 4.06Å; M904-V916 HydrophobicContact CE-CG2 4.24Å; M904-V916 HydrophobicContact SD-CG1 3.98Å
905E97.4Very high96.2Very high44 Ų4456.8 Ų56.821%0.20629%0.288CS..Hα-helixtrans-63.4-29.9-178.9-72.3-172156.800113.9H901 L915 V916H901-E905 IonicContact CE1-OE1 2.8Å; H901-E905 PolarHBondContact CE1-OE1 3.17Å; H901-E905 IonicContact CE1-OE2 3.92Å; H901-E905 PolarHBondContact CE1-OE2 3.32Å; H901-E905 IonicContact ND1-OE1 3.69Å; H901-E905 IonicContact ND1-OE2 3.2Å; H901-E905 PolarHBondContact ND1-OE2 3.3Å; H901-E905 IonicContact NE2-OE1 3.66Å; H901-E905 WeakPolarHBondContact O-CG 3.45Å; H901-E905 PolarHBondContact O-N 3.11Å; E905-L915 WeakPolarHBondContact OE1-CA 3.37Å; E905-V916 HydrophobicContact CG-CB 4.15Å; E905-V916 HydrophobicContact CG-CG2 3.73Å; E905-V916 PolarHBondContact OE1-N 3.31Å
906N96.7Very high96.2Very high114 Ų11453.5 Ų53.561%0.6126%0.261SS*.Hα-helixtrans-101.70.5-175.8-63.9-67.3000113.9Q902 M904 T908Q902-N906 VanDerWaalsContact O-CB 3.3Å; Q902-N906 WeakPolarHBondContact O-CB 3.19Å; Q902-N906 PolarHBondContact O-N 2.84Å; Q902-N906 PolarHBondContact O-ND2 2.96Å; M904-N906 PolarHBondContact O-N 3.48Å; N906-T908 PolarHBondContact O-N 3.07Å
907C93.7Very high96.1Very high14 Ų1459 Ų5910%0.09529%0.286CS..SBendtrans-61.1-38.2-179.871.20000110.7Y706 R858 A859 L903 M904Y706-C907 PolarHBondContact OH-SG 3.03Å; Y706-C907 VanDerWaalsContact OH-SG 3.4Å; R858-C907 HydrophobicContact CB-CB 4.4Å; R858-C907 PolarHBondContact NH1-O 2.83Å; R858-C907 PolarHBondContact NH2-O 3.46Å; A859-C907 HydrophobicContact CB-CB 4.43Å; L903-C907 WeakPolarHBondContact O-CB 3.37Å; L903-C907 PolarHBondContact O-N 3.42Å; M904-C907 PolarHBondContact O-N 2.91Å; M904-C907 PolarHBondContact O-SG 3.47Å
908T94.2Very high96.1Very high16 Ų1660.4 Ų60.410%0.09829%0.293CS..SBendtrans-132.6143.1-178-54.40000110.7I855 R858 N906 L910I855-T908 HydrophobicContact CD1-CG2 4.45Å; I855-T908 HydrophobicContact CG1-CG2 4.08Å; R858-T908 PolarHBondContact NH1-OG1 3.35Å; N906-T908 PolarHBondContact O-N 3.07Å; T908-L910 HydrophobicContact CG2-CD2 4.27Å
909R93.9Very high96.1Very high238 Ų23854.4 Ų54.490%0.89827%0.274SS*.  trans-102117.4176.6-174.9177.4179.2178.10.5110.7
910L95.5Very high96.1Very high15 Ų1555.1 Ų55.18%0.07929%0.285CS..  trans-108.3171.8168.5-54.8-177.4000110.2I713 H716 L818 I855 T908 V912 L914I713-L910 HydrophobicContact CG1-CD1 4.16Å; H716-L910 HydrophobicContact CB-CB 4.26Å; H716-L910 HydrophobicContact CB-CD2 4.5Å; L818-L910 HydrophobicContact CD1-CD2 3.36Å; I855-L910 HydrophobicContact CD1-CD1 4.23Å; T908-L910 HydrophobicContact CG2-CD2 4.27Å; L910-V912 HydrophobicContact CB-CG2 4.46Å; L910-V912 WeakPolarHBondContact CB-O 3.46Å; L910-V912 PolarHBondContact O-N 2.92Å; L910-L914 HydrophobicContact CD1-CD2 3.66Å; L910-L914 HydrophobicContact CD1-CG 4.43Å; L910-L914 HydrophobicContact CG-CD2 4.41Å
911D95Very high96.1Very high93 Ų9355.7 Ų55.750%0.49729%0.291SS..SBendtrans-71-10.8173.5-66.1-36.5000112.8H716 L724H716-D911 IonicContact CE1-OD2 3.89Å; H716-D911 PolarHBondContact CE1-OD2 3.47Å; H716-D911 IonicContact CG-OD2 3.04Å; H716-D911 PolarHBondContact ND1-N 3.14Å; H716-D911 IonicContact ND1-OD1 2.73Å; H716-D911 IonicContact ND1-OD2 3.27Å; H716-D911 PolarHBondContact ND1-OD2 3.09Å; L724-D911 HydrophobicContact CD2-CB 3.66Å
912V93.1Very high96.1Very high3 Ų357 Ų572%0.01830%0.297CS..SBendtrans-122145.8171.7-68.70000109R712 A715 L724 F727 L910 L914R712-V912 HydrophobicContact CB-CG2 3.73Å; R712-V912 HydrophobicContact CG-CG2 4.18Å; R712-V912 WeakPolarHBondContact O-CG2 3.4Å; A715-V912 HydrophobicContact CB-CG1 4.32Å; L724-V912 HydrophobicContact CB-CG1 4.46Å; L724-V912 HydrophobicContact CD2-CG1 3.55Å; F727-V912 HydrophobicContact CB-CB 3.89Å; F727-V912 HydrophobicContact CB-CG1 3.55Å; F727-V912 HydrophobicContact CD2-CG1 4.38Å; F727-V912 HydrophobicContact CG-CB 4.48Å; F727-V912 HydrophobicContact CG-CG1 4.28Å; L910-V912 HydrophobicContact CB-CG2 4.46Å; L910-V912 WeakPolarHBondContact CB-O 3.46Å; L910-V912 PolarHBondContact O-N 2.92Å; V912-L914 PolarHBondContact O-N 3.16Å
913P93Very high96.1Very high75 Ų7553.1 Ų53.149%0.48728%0.28SS..  trans-61.1141.217625.7-33.3000110.2R712R712-P913 WeakPolarHBondContact CD-O 3.34Å; R712-P913 PolarHBondContact NH1-O 3.46Å
914L95.1Very high96.1Very high9 Ų951.4 Ų51.45%0.04727%0.271CS..  trans-73.4145.3161.6-65.4178.9000108.2Y706 I709 I855 L910 V912Y706-L914 HydrophobicContact CD1-CB 4.45Å; Y706-L914 HydrophobicContact CE1-CB 4.14Å; Y706-L914 HydrophobicContact CE1-CD1 4.01Å; I709-L914 HydrophobicContact CD1-CD2 3.37Å; I855-L914 HydrophobicContact CG2-CD1 4.05Å; L910-L914 HydrophobicContact CD1-CD2 3.66Å; L910-L914 HydrophobicContact CD1-CG 4.43Å; L910-L914 HydrophobicContact CG-CD2 4.41Å; V912-L914 PolarHBondContact O-N 3.16Å
915L94.4Very high96Very high71 Ų7151.8 Ų51.837%0.37227%0.273SS..  trans-126130.3175.9-178.668.4000108.4S707 R712 E905S707-L915 PolarHBondContact N-O 2.92Å; R712-L915 VanDerWaalsContact NH2-CB 3.28Å; E905-L915 WeakPolarHBondContact OE1-CA 3.37Å
916V96.9Very high96Very high4 Ų454.9 Ų54.92%0.02429%0.287CS..EExtended strand (participates in β ladder)trans-118.5125.5178.4178.90000109.2A704 D705 Y706 H901 M904 E905 V918A704-V916 HydrophobicContact CB-CG1 3.93Å; D705-V916 WeakPolarHBondContact O-CA 3.46Å; Y706-V916 HydrophobicContact CD1-CG2 3.48Å; Y706-V916 VanDerWaalsContact CD1-CG2 3.48Å; Y706-V916 HydrophobicContact CE1-CG2 3.46Å; Y706-V916 VanDerWaalsContact CE1-CG2 3.46Å; Y706-V916 HydrophobicContact CG-CG2 4.33Å; H901-V916 PolarHBondContact CD2-O 2.72Å; H901-V916 VanDerWaalsContact CD2-O 3.31Å; H901-V916 PolarHBondContact NE2-O 3.16Å; M904-V916 HydrophobicContact CB-CG1 4.49Å; M904-V916 HydrophobicContact CB-CG2 3.68Å; M904-V916 HydrophobicContact CE-CG1 4.06Å; M904-V916 HydrophobicContact CE-CG2 4.24Å; M904-V916 HydrophobicContact SD-CG1 3.98Å; E905-V916 HydrophobicContact CG-CB 4.15Å; E905-V916 HydrophobicContact CG-CG2 3.73Å; E905-V916 PolarHBondContact OE1-N 3.31Å; V916-V918 HydrophobicContact CG1-CG2 3.89Å
917E96.3Very high96Very high118 Ų11849.6 Ų49.655%0.55126%0.259SS*.EExtended strand (participates in β ladder)trans-92.2121.5173.2-69172.7-150.100107.7A704 D705 S707A704-E917 WeakPolarHBondContact CA-O 3.31Å; D705-E917 PolarHBondContact N-O 2.75Å; D705-E917 PolarHBondContact O-N 2.81Å; S707-E917 VanDerWaalsContact CB-OE1 3.29Å; S707-E917 WeakPolarHBondContact CB-OE1 3.49Å; S707-E917 PolarHBondContact OG-OE1 3.27Å
918V97.5Very high95.9Very high50 Ų5053.6 Ų53.630%0.30328%0.277SS..EExtended strand (participates in β ladder)trans-114.4121.9179.9-1740000109.7V702 S703 A704 A897 H901 V916V702-V918 HydrophobicContact CG1-CG1 3.64Å; S703-V918 CarbonylContact O-C 3.54Å; S703-V918 VanDerWaalsContact O-CA 3.27Å; S703-V918 WeakPolarHBondContact O-CA 3.36Å; A704-V918 HydrophobicContact CB-CG2 3.95Å; A897-V918 HydrophobicContact CB-CG1 3.84Å; H901-V918 HydrophobicContact CB-CG2 4.04Å; V916-V918 HydrophobicContact CG1-CG2 3.89Å
919G97.4Very high96Very high28 Ų2855.5 Ų55.529%0.28929%0.285SS..EExtended strand (participates in β ladder)trans-125.4160.317600000111.9V702 S703 A927V702-G919 CarbonylContact C-O 3.57Å; V702-G919 WeakPolarHBondContact CA-O 3.47Å; S703-G919 PolarHBondContact N-O 2.84Å; S703-G919 PolarHBondContact O-N 3.42Å; G919-A927 CarbonylContact C-O 3.57Å; G919-A927 WeakPolarHBondContact CA-O 3.3Å
920S98Very high96.1Very high67 Ų6745.9 Ų45.947%0.46925%0.253SS..EExtended strand (participates in β ladder)trans-139144.7-178.866.70000111.7I701I701-S920 CarbonylContact O-C 3.48Å; I701-S920 WeakPolarHBondContact O-CA 3.47Å
921G97.7Very high96.1Very high12 Ų1247.6 Ų47.612%0.12426%0.263CS..EExtended strand (participates in β ladder)trans-166.5174.6179.900000113.6I701 N923I701-G921 PolarHBondContact N-O 2.84Å; I701-G921 PolarHBondContact O-N 2.91Å; G921-N923 PolarHBondContact O-N 3.43Å
922E97.6Very high96.2Very high89 Ų8944.9 Ų44.942%0.41625%0.249SC..SBendtrans-70.6-22.4178.9-62.3-63.1150.700112.2R890 Q926R890-E922 IonicContact CZ-OE1 2.78Å; R890-E922 IonicContact CZ-OE2 3.99Å; R890-E922 IonicContact NH1-OE1 2.72Å; R890-E922 PolarHBondContact NH1-OE1 3.47Å; R890-E922 IonicContact NH1-OE2 3.86Å; R890-E922 VanDerWaalsContact NH2-CD 3.27Å; R890-E922 IonicContact NH2-OE1 3.45Å; R890-E922 PolarHBondContact NH2-OE1 3.09Å; R890-E922 IonicContact NH2-OE2 2.6Å; R890-E922 PolarHBondContact NH2-OE2 3.35Å; E922-Q926 VanDerWaalsContact N-OE1 3.09Å
923N98Very high96.4Very high18 Ų1847.6 Ų47.610%0.09626%0.264CS..BIsolated β-bridgetrans-141.7169.3176.662.465.8000110.9Q691 F693 I694 G921 D925 Q926 A927Q691-N923 WeakPolarHBondContact O-CB 3.44Å; F693-N923 CarbonylContact O-C 3.55Å; F693-N923 WeakPolarHBondContact O-CA 3.36Å; F693-N923 VanDerWaalsContact O-CB 3.24Å; F693-N923 WeakPolarHBondContact O-CB 3.48Å; I694-N923 HydrophobicContact CG2-CB 4.08Å; G921-N923 PolarHBondContact O-N 3.43Å; N923-D925 VanDerWaalsContact C-N 3.34Å; N923-D925 PolarHBondContact O-N 3.42Å; N923-D925 WeakPolarHBondContact OD1-CB 3.05Å; N923-D925 PolarHBondContact OD1-N 2.64Å; N923-D925 VanDerWaalsContact OD1-N 3.11Å; N923-Q926 PolarHBondContact O-N 3.13Å; N923-Q926 PolarHBondContact OD1-N 2.99Å; N923-A927 PolarHBondContact O-N 2.89Å; N923-A927 VanDerWaalsContact O-N 3.1Å
924W97.8Very high96.6Very high1 Ų145.7 Ų45.70%0.00425%0.249CC..Hα-helixtrans-62.1-35.5-176.2-174.826000113.9I679 R690 F693 M878 V880 E883 Q926 A927 H928I679-W924 HydrophobicContact CB-CH2 4.11Å; I679-W924 HydrophobicContact CB-CZ3 3.8Å; I679-W924 HydrophobicContact CD1-CH2 4.39Å; I679-W924 HydrophobicContact CD1-CZ3 3.72Å; I679-W924 HydrophobicContact CG1-CZ3 4.34Å; I679-W924 HydrophobicContact CG2-CZ3 3.88Å; R690-W924 HydrophobicContact CB-CD2 4.48Å; R690-W924 HydrophobicContact CB-CE3 4.04Å; R690-W924 HydrophobicContact CG-CD2 4.22Å; R690-W924 HydrophobicContact CG-CE3 3.63Å; R690-W924 HydrophobicContact CG-CZ3 3.83Å; F693-W924 HydrophobicContact CB-CB 3.79Å; F693-W924 HydrophobicContact CB-CE3 4.33Å; F693-W924 HydrophobicContact CD1-CE3 4.45Å; F693-W924 HydrophobicContact CD2-CE3 4.07Å; F693-W924 HydrophobicContact CG-CE3 4.02Å; F693-W924 PolarHBondContact O-N 3.05Å; M878-W924 HydrophobicContact CE-CD2 3.92Å; M878-W924 HydrophobicContact CE-CE3 4.1Å; M878-W924 HydrophobicContact CE-CG 4.28Å; M878-W924 HydrophobicContact CE-CZ2 4.45Å; M878-W924 HydrophobicContact CE-CZ3 4.45Å; V880-W924 HydrophobicContact CB-CZ2 4.17Å; V880-W924 HydrophobicContact CG1-CH2 4.26Å; V880-W924 HydrophobicContact CG1-CZ2 4.05Å; V880-W924 HydrophobicContact CG2-CH2 3.93Å; V880-W924 HydrophobicContact CG2-CZ2 3.72Å; E883-W924 PolarHBondContact OE1-NE1 3.18Å; W924-Q926 VanDerWaalsContact C-N 3.3Å; W924-Q926 PolarHBondContact O-N 3.48Å; W924-A927 PolarHBondContact O-N 3.32Å; W924-H928 VanDerWaalsContact O-CB 3.31Å; W924-H928 WeakPolarHBondContact O-CB 3.34Å; W924-H928 PolarHBondContact O-N 3.13Å
925D96.9Very high96.8Very high9 Ų948.4 Ų48.45%0.04826%0.263CS..Hα-helixtrans-68.6-25.5177.5-177.763.1000113.8R687 R690 Q691 N923R687-D925 WeakPolarHBondContact CB-OD1 3.25Å; R687-D925 WeakPolarHBondContact CG-OD1 3.43Å; R687-D925 IonicContact CZ-OD1 2.82Å; R687-D925 IonicContact CZ-OD2 2.76Å; R687-D925 IonicContact NE-OD1 2.63Å; R687-D925 PolarHBondContact NE-OD1 3.46Å; R687-D925 IonicContact NE-OD2 2.73Å; R687-D925 IonicContact NH2-OD1 2.68Å; R687-D925 PolarHBondContact NH2-OD1 2.88Å; R687-D925 IonicContact NH2-OD2 3.81Å; R687-D925 PolarHBondContact NH2-OD2 3.31Å; R690-D925 HydrophobicContact CB-CB 3.84Å; Q691-D925 HydrophobicContact CG-CB 3.63Å; Q691-D925 PolarHBondContact NE2-OD2 2.78Å; Q691-D925 VanDerWaalsContact NE2-OD2 3.09Å; N923-D925 VanDerWaalsContact C-N 3.34Å; N923-D925 PolarHBondContact O-N 3.42Å; N923-D925 WeakPolarHBondContact OD1-CB 3.05Å; N923-D925 PolarHBondContact OD1-N 2.64Å; N923-D925 VanDerWaalsContact OD1-N 3.11Å
926Q97.1Very high96.9Very high109 Ų10946.6 Ų46.651%0.50926%0.255SS..Hα-helixtrans-85.8-32.4175.3-71176.8-2.200112.4E922 N923 W924E922-Q926 VanDerWaalsContact N-OE1 3.09Å; N923-Q926 PolarHBondContact O-N 3.13Å; N923-Q926 PolarHBondContact OD1-N 2.99Å; W924-Q926 VanDerWaalsContact C-N 3.3Å; W924-Q926 PolarHBondContact O-N 3.48Å
927A96.7Very high96.9Very high3 Ų350.2 Ų50.23%0.02527%0.274CS..Hα-helixtrans-74.7-34.5179.500000112.4I701 G919 N923 W924I701-A927 HydrophobicContact CB-CB 4.05Å; I701-A927 HydrophobicContact CG2-CB 3.71Å; I701-A927 WeakPolarHBondContact O-CB 3.24Å; G919-A927 CarbonylContact C-O 3.57Å; G919-A927 WeakPolarHBondContact CA-O 3.3Å; N923-A927 PolarHBondContact O-N 2.89Å; N923-A927 VanDerWaalsContact O-N 3.1Å; W924-A927 PolarHBondContact O-N 3.32Å
928H92.3Very high97Very high98 Ų9844 Ų4445%0.45425%0.249SC..  trans-83.10173.5-171.691.4000110.8R690 D705 E883 W924R690-H928 PolarHBondContact NH1-CD2 3.34Å; R690-H928 VanDerWaalsContact NH1-CD2 3.3Å; R690-H928 PolarHBondContact NH1-NE2 3.45Å; D705-H928 IonicContact OD2-CE1 3.62Å; E883-H928 IonicContact OE1-CE1 3.06Å; E883-H928 IonicContact OE1-CG 3.17Å; E883-H928 IonicContact OE1-ND1 2.68Å; E883-H928 PolarHBondContact OE1-ND1 3.36Å; E883-H928 IonicContact OE2-CE1 3.51Å; E883-H928 IonicContact OE2-ND1 3.81Å; W924-H928 VanDerWaalsContact O-CB 3.31Å; W924-H928 WeakPolarHBondContact O-CB 3.34Å; W924-H928 PolarHBondContact O-N 3.13Å

Retrieved 928 of 928 residues in 881.1 ms (Link to these results)

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