A0A087WQI6_MOUSE Loading...

Glutathione S-transferase

AlphaFold DB , UniProt , Accession A0A087WQI6, Species MOUSE (Mus musculus, Mouse), Gene Gsta3, Length 133 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
1M77.8Confident96.1Very high154 Ų154109.5 Ų109.576%0.75955%0.554SS**  0120.10-166-178.2-87.600107.8Q3 V16M1-Q3 PolarHBondContact O-N 3.44Å; M1-V16 HydrophobicContact CB-CG1 4.2Å; M1-V16 HydrophobicContact CB-CG2 4.44Å; M1-V16 HydrophobicContact CG-CB 4.47Å; M1-V16 HydrophobicContact CG-CG1 4.11Å; M1-V16 HydrophobicContact CG-CG2 3.56Å; M1-V16 HydrophobicContact SD-CB 3.96Å; M1-V16 HydrophobicContact SD-CG1 3.66Å; M1-V16 HydrophobicContact SD-CG2 3.32Å; M1-V16 WeakPolarHBondContact SD-CG2 3.26Å
2F97Very high96.3Very high149 Ų149107.8 Ų107.865%0.65459%0.585SS**THydrogen-bonded Turntrans32.41.4-177.4-51-57.4000121.9Q4 V16F2-Q4 PolarHBondContact O-N 2.74Å; F2-V16 HydrophobicContact CD2-CG2 3.81Å; F2-V16 HydrophobicContact CE2-CG2 4.49Å
3Q97Very high96.5Very high202 Ų202104.7 Ų104.794%0.94457%0.565SS**THydrogen-bonded Turntrans57.530.9177.4-52175.146.800113.3M1M1-Q3 PolarHBondContact O-N 3.44Å
4Q97.6Very high96.6Very high129 Ų129106 Ų10660%0.60356%0.563SS**  trans-132.8156-177.6-70.6176.8-45.900110.7F2F2-Q4 PolarHBondContact O-N 2.74Å
5V97.3Very high96.7Very high129 Ų129101.4 Ų101.478%0.78254%0.538SS*.SBendtrans-108.4158.1165-670000108.6
6P97.9Very high96.8Very high69 Ų6995.9 Ų95.945%0.44851%0.51SS..  cis-68.8149.35.8-22.636.2000115.6V16 I21P6-V16 WeakPolarHBondContact O-CA 3.45Å; P6-I21 HydrophobicContact CB-CD1 4.16Å
7M98.4Very high96.9Very high82 Ų8295.9 Ų95.940%0.40451%0.506SS..EExtended strand (participates in β ladder)trans-136134.9170-170.7-81-70.700109.3E9 K14 L15 V16M7-E9 HydrophobicContact CE-CG 3.92Å; M7-E9 HydrophobicContact SD-CG 3.74Å; M7-K14 HydrophobicContact SD-CB 4.06Å; M7-L15 CarbonylContact C-O 3.6Å; M7-L15 VanDerWaalsContact CA-O 3.26Å; M7-L15 WeakPolarHBondContact CA-O 3.39Å; M7-V16 HydrophobicContact CB-CG1 3.92Å; M7-V16 HydrophobicContact CG-CG1 3.62Å
8V98.8Very high97Very high50 Ų5094.4 Ų94.430%0.30350%0.502SS..EExtended strand (participates in β ladder)trans-126.5129.1177.7175.10000109.8I10 L15 I21V8-I10 HydrophobicContact CG1-CB 4.03Å; V8-I10 HydrophobicContact CG1-CG2 4.05Å; V8-L15 PolarHBondContact N-O 2.99Å; V8-L15 PolarHBondContact O-N 3.45Å; V8-I21 HydrophobicContact CB-CD1 4.43Å; V8-I21 HydrophobicContact CB-CG1 4.44Å; V8-I21 HydrophobicContact CB-CG2 4.13Å; V8-I21 HydrophobicContact CG2-CD1 4.09Å; V8-I21 HydrophobicContact CG2-CG1 4.45Å; V8-I21 HydrophobicContact CG2-CG2 3.74Å
9E98.6Very high97.1Very high122 Ų12294.9 Ų94.957%0.5750%0.499SS*.EExtended strand (participates in β ladder)trans-88.8113.9167.6-56-159.9-16900109.1M7 M13 K14M7-E9 HydrophobicContact CE-CG 3.92Å; M7-E9 HydrophobicContact SD-CG 3.74Å; E9-M13 CarbonylContact C-O 3.59Å; E9-M13 VanDerWaalsContact CA-O 3.28Å; E9-M13 WeakPolarHBondContact CA-O 3.26Å; E9-K14 HydrophobicContact CG-CD 4.4Å; E9-K14 HydrophobicContact CG-CG 4.08Å; E9-K14 WeakPolarHBondContact OE1-CE 3.24Å; E9-K14 IonicContact OE1-NZ 2.74Å; E9-K14 PolarHBondContact OE1-NZ 2.66Å; E9-K14 IonicContact OE2-NZ 3.44Å; E9-K14 PolarHBondContact OE2-NZ 2.9Å
10I98.6Very high97.2Very high32 Ų3292.5 Ų92.516%0.16449%0.493CS..EExtended strand (participates in β ladder)trans-151135.4-176-172.6169.6000110.4V8 G12 M13 L15 Y24 I25 K28V8-I10 HydrophobicContact CG1-CB 4.03Å; V8-I10 HydrophobicContact CG1-CG2 4.05Å; I10-G12 PolarHBondContact O-N 2.88Å; I10-G12 VanDerWaalsContact O-N 3.14Å; I10-M13 PolarHBondContact N-O 2.65Å; I10-M13 WeakPolarHBondContact O-CB 3.43Å; I10-M13 PolarHBondContact O-N 3.32Å; I10-L15 HydrophobicContact CG2-CD1 4.06Å; I10-Y24 HydrophobicContact CD1-CD1 4.21Å; I10-Y24 HydrophobicContact CD1-CE1 4.01Å; I10-Y24 HydrophobicContact CG1-CE1 4.15Å; I10-Y24 HydrophobicContact CG2-CD1 4.09Å; I10-Y24 HydrophobicContact CG2-CE1 4.07Å; I10-I25 HydrophobicContact CD1-CG1 4.41Å; I10-K28 HydrophobicContact CD1-CD 4.34Å
11D98.4Very high97.2Very high86 Ų8688.6 Ų88.646%0.4647%0.472SS..THydrogen-bonded Turntrans49.739178.9-60.1-54.5000114.2M13 Y24 K28D11-M13 HydrophobicContact CB-CE 4.4Å; D11-M13 PolarHBondContact O-N 2.78Å; D11-Y24 WeakPolarHBondContact CB-OH 3.26Å; D11-Y24 VanDerWaalsContact OD2-CE1 3.26Å; D11-Y24 WeakPolarHBondContact OD2-CE1 3.43Å; D11-Y24 PolarHBondContact OD2-OH 3.11Å; D11-K28 IonicContact OD1-NZ 3.17Å; D11-K28 PolarHBondContact OD1-NZ 3.14Å; D11-K28 WeakPolarHBondContact OD2-CD 3.28Å; D11-K28 VanDerWaalsContact OD2-CE 3.24Å; D11-K28 WeakPolarHBondContact OD2-CE 3.41Å; D11-K28 IonicContact OD2-NZ 2.75Å; D11-K28 PolarHBondContact OD2-NZ 2.79Å
12G98.4Very high98.2Very high90 Ų9085 Ų8593%0.92846%0.456SS*.THydrogen-bonded Turntrans770.6-178.700000115.1I10I10-G12 PolarHBondContact O-N 2.88Å; I10-G12 VanDerWaalsContact O-N 3.14Å
13M98.4Very high98.3Very high67 Ų6780.7 Ų80.733%0.3344%0.439SS..EExtended strand (participates in β ladder)trans-97.9153.7175.2-58180-72.300111.5E9 I10 D11 L15 Y24E9-M13 CarbonylContact C-O 3.59Å; E9-M13 VanDerWaalsContact CA-O 3.28Å; E9-M13 WeakPolarHBondContact CA-O 3.26Å; I10-M13 PolarHBondContact N-O 2.65Å; I10-M13 WeakPolarHBondContact O-CB 3.43Å; I10-M13 PolarHBondContact O-N 3.32Å; D11-M13 HydrophobicContact CB-CE 4.4Å; D11-M13 PolarHBondContact O-N 2.78Å; M13-L15 HydrophobicContact CB-CD2 4.19Å; M13-L15 HydrophobicContact CB-CG 4.05Å; M13-L15 HydrophobicContact CE-CD1 4Å; M13-L15 HydrophobicContact CE-CG 4.39Å; M13-L15 HydrophobicContact SD-CD2 4.09Å; M13-L15 HydrophobicContact SD-CG 4.47Å; M13-Y24 HydrophobicContact CE-CD1 4.25Å; M13-Y24 HydrophobicContact CE-CD2 3.96Å; M13-Y24 HydrophobicContact CE-CE1 3.75Å; M13-Y24 HydrophobicContact CE-CE2 3.44Å; M13-Y24 VanDerWaalsContact CE-CE2 3.44Å; M13-Y24 HydrophobicContact CE-CG 4.33Å
14K98.3Very high98.4Very high123 Ų12374.6 Ų74.654%0.53541%0.408SS..EExtended strand (participates in β ladder)trans-110.989.4164.7-55.5-163.4-178.5-1390108.7M7 E9M7-K14 HydrophobicContact SD-CB 4.06Å; E9-K14 HydrophobicContact CG-CD 4.4Å; E9-K14 HydrophobicContact CG-CG 4.08Å; E9-K14 WeakPolarHBondContact OE1-CE 3.24Å; E9-K14 IonicContact OE1-NZ 2.74Å; E9-K14 PolarHBondContact OE1-NZ 2.66Å; E9-K14 IonicContact OE2-NZ 3.44Å; E9-K14 PolarHBondContact OE2-NZ 2.9Å
15L98.6Very high98.5Very high37 Ų3771.2 Ų71.219%0.19439%0.394CS..EExtended strand (participates in β ladder)trans-86.8130.7-176.3-65.3-179.5000110.5M7 V8 I10 M13 I21 Y24M7-L15 CarbonylContact C-O 3.6Å; M7-L15 VanDerWaalsContact CA-O 3.26Å; M7-L15 WeakPolarHBondContact CA-O 3.39Å; V8-L15 PolarHBondContact N-O 2.99Å; V8-L15 PolarHBondContact O-N 3.45Å; I10-L15 HydrophobicContact CG2-CD1 4.06Å; M13-L15 HydrophobicContact CB-CD2 4.19Å; M13-L15 HydrophobicContact CB-CG 4.05Å; M13-L15 HydrophobicContact CE-CD1 4Å; M13-L15 HydrophobicContact CE-CG 4.39Å; M13-L15 HydrophobicContact SD-CD2 4.09Å; M13-L15 HydrophobicContact SD-CG 4.47Å; L15-I21 HydrophobicContact CB-CG1 3.86Å; L15-Y24 HydrophobicContact CD1-CD1 4.13Å; L15-Y24 HydrophobicContact CD1-CG 3.94Å
16V98.3Very high98.5Very high14 Ų1465.2 Ų65.29%0.08536%0.358CS..EExtended strand (participates in β ladder)trans-113.1176.5165.8-500000109.5M1 F2 P6 M7M1-V16 HydrophobicContact CB-CG1 4.2Å; M1-V16 HydrophobicContact CB-CG2 4.44Å; M1-V16 HydrophobicContact CG-CB 4.47Å; M1-V16 HydrophobicContact CG-CG1 4.11Å; M1-V16 HydrophobicContact CG-CG2 3.56Å; M1-V16 HydrophobicContact SD-CB 3.96Å; M1-V16 HydrophobicContact SD-CG1 3.66Å; M1-V16 HydrophobicContact SD-CG2 3.32Å; M1-V16 WeakPolarHBondContact SD-CG2 3.26Å; F2-V16 HydrophobicContact CD2-CG2 3.81Å; F2-V16 HydrophobicContact CE2-CG2 4.49Å; P6-V16 WeakPolarHBondContact O-CA 3.45Å; M7-V16 HydrophobicContact CB-CG1 3.92Å; M7-V16 HydrophobicContact CG-CG1 3.62Å
17Q98.5Very high98.6Very high96 Ų9664.3 Ų64.345%0.44935%0.353SS..SBendtrans71.6114.2-171.1-61.3-65.5-2100112.3K19 A20 I21Q17-K19 VanDerWaalsContact C-N 3.28Å; Q17-K19 PolarHBondContact O-N 3.23Å; Q17-A20 HydrophobicContact CB-CB 4.09Å; Q17-A20 PolarHBondContact O-N 2.86Å; Q17-I21 WeakPolarHBondContact O-CG1 3.45Å; Q17-I21 PolarHBondContact O-N 3.36Å
18T98.4Very high98.6Very high69 Ų6964.2 Ų64.242%0.42335%0.35SS..Hα-helixtrans-49.1-47.9-178-52.80000112.1A20 I21 L22T18-A20 PolarHBondContact O-N 3.03Å; T18-I21 PolarHBondContact O-N 3.35Å; T18-L22 HydrophobicContact CG2-CD1 3.85Å; T18-L22 HydrophobicContact CG2-CG 4.35Å; T18-L22 WeakPolarHBondContact O-CB 3.38Å; T18-L22 VanDerWaalsContact O-CG 3.29Å; T18-L22 WeakPolarHBondContact O-CG 3.32Å; T18-L22 PolarHBondContact O-N 3.03Å
19K98.3Very high98.6Very high103 Ų10368.2 Ų68.245%0.44836%0.361SS..Hα-helixtrans-63.6-41.1179.9-64-173-179.3-172.20112.6Q17 L22 N23 E47Q17-K19 VanDerWaalsContact C-N 3.28Å; Q17-K19 PolarHBondContact O-N 3.23Å; K19-L22 PolarHBondContact O-N 3Å; K19-N23 VanDerWaalsContact O-CB 3.27Å; K19-N23 WeakPolarHBondContact O-CB 3.42Å; K19-N23 PolarHBondContact O-N 2.8Å; K19-N23 PolarHBondContact O-OD1 3.33Å; K19-E47 WeakPolarHBondContact CD-OE1 3.37Å; K19-E47 WeakPolarHBondContact CE-OE1 3.39Å; K19-E47 IonicContact NZ-OE1 2.65Å; K19-E47 PolarHBondContact NZ-OE1 2.85Å; K19-E47 IonicContact NZ-OE2 2.79Å; K19-E47 PolarHBondContact NZ-OE2 3.24Å
20A98.6Very high98.6Very high46 Ų4667.9 Ų67.938%0.3836%0.363SS..Hα-helixtrans-64.8-43.2178.100000111.7Q17 T18 Y24Q17-A20 HydrophobicContact CB-CB 4.09Å; Q17-A20 PolarHBondContact O-N 2.86Å; T18-A20 PolarHBondContact O-N 3.03Å; A20-Y24 PolarHBondContact O-N 3.31Å; A20-Y24 VanDerWaalsContact O-N 3.11Å
21I98.9Very high98.6Very high11 Ų1168.3 Ų68.36%0.05637%0.366CS..Hα-helixtrans-60.2-51.5176.2-65.7161.2000110.4P6 V8 L15 Q17 T18 N23 Y24 I25P6-I21 HydrophobicContact CB-CD1 4.16Å; V8-I21 HydrophobicContact CB-CD1 4.43Å; V8-I21 HydrophobicContact CB-CG1 4.44Å; V8-I21 HydrophobicContact CB-CG2 4.13Å; V8-I21 HydrophobicContact CG2-CD1 4.09Å; V8-I21 HydrophobicContact CG2-CG1 4.45Å; V8-I21 HydrophobicContact CG2-CG2 3.74Å; L15-I21 HydrophobicContact CB-CG1 3.86Å; Q17-I21 WeakPolarHBondContact O-CG1 3.45Å; Q17-I21 PolarHBondContact O-N 3.36Å; T18-I21 PolarHBondContact O-N 3.35Å; I21-N23 PolarHBondContact O-N 3.22Å; I21-Y24 PolarHBondContact O-N 3.34Å; I21-I25 HydrophobicContact CG2-CD1 3.85Å; I21-I25 WeakPolarHBondContact O-CG1 3.27Å; I21-I25 PolarHBondContact O-N 3.18Å
22L98.8Very high98.6Very high79 Ų7964.7 Ų64.741%0.41435%0.346SS..Hα-helixtrans-65.5-39.9-178.4-67.1175.6000112.4T18 K19 Y24 I25 A26T18-L22 HydrophobicContact CG2-CD1 3.85Å; T18-L22 HydrophobicContact CG2-CG 4.35Å; T18-L22 WeakPolarHBondContact O-CB 3.38Å; T18-L22 VanDerWaalsContact O-CG 3.29Å; T18-L22 WeakPolarHBondContact O-CG 3.32Å; T18-L22 PolarHBondContact O-N 3.03Å; K19-L22 PolarHBondContact O-N 3Å; L22-Y24 VanDerWaalsContact C-N 3.29Å; L22-Y24 PolarHBondContact O-N 3.05Å; L22-I25 PolarHBondContact O-N 3.44Å; L22-A26 VanDerWaalsContact O-CB 3.3Å; L22-A26 WeakPolarHBondContact O-CB 3.39Å; L22-A26 PolarHBondContact O-N 2.9Å
23N98.8Very high98.6Very high58 Ų5861.4 Ų61.431%0.3131%0.312SS..Hα-helixtrans-61.6-39.2176.6-69.48.7000111.4K19 I21 S27 Y32 R105K19-N23 VanDerWaalsContact O-CB 3.27Å; K19-N23 WeakPolarHBondContact O-CB 3.42Å; K19-N23 PolarHBondContact O-N 2.8Å; K19-N23 PolarHBondContact O-OD1 3.33Å; I21-N23 PolarHBondContact O-N 3.22Å; N23-S27 WeakPolarHBondContact O-CB 3.29Å; N23-S27 PolarHBondContact O-N 3.45Å; N23-S27 VanDerWaalsContact O-N 3.07Å; N23-S27 PolarHBondContact O-OG 2.82Å; N23-Y32 HydrophobicContact CB-CE2 4.14Å; N23-Y32 PolarHBondContact OD1-OH 2.65Å; N23-R105 PolarHBondContact OD1-NH1 2.93Å
24Y98.9Very high98.6Very high74 Ų7465.1 Ų65.129%0.2933%0.326SS..Hα-helixtrans-66.7-50.5177.3-176.4-100.1000111.6I10 D11 M13 L15 A20 I21 L22 A26 S27 K28I10-Y24 HydrophobicContact CD1-CD1 4.21Å; I10-Y24 HydrophobicContact CD1-CE1 4.01Å; I10-Y24 HydrophobicContact CG1-CE1 4.15Å; I10-Y24 HydrophobicContact CG2-CD1 4.09Å; I10-Y24 HydrophobicContact CG2-CE1 4.07Å; D11-Y24 WeakPolarHBondContact CB-OH 3.26Å; D11-Y24 VanDerWaalsContact OD2-CE1 3.26Å; D11-Y24 WeakPolarHBondContact OD2-CE1 3.43Å; D11-Y24 PolarHBondContact OD2-OH 3.11Å; M13-Y24 HydrophobicContact CE-CD1 4.25Å; M13-Y24 HydrophobicContact CE-CD2 3.96Å; M13-Y24 HydrophobicContact CE-CE1 3.75Å; M13-Y24 HydrophobicContact CE-CE2 3.44Å; M13-Y24 VanDerWaalsContact CE-CE2 3.44Å; M13-Y24 HydrophobicContact CE-CG 4.33Å; L15-Y24 HydrophobicContact CD1-CD1 4.13Å; L15-Y24 HydrophobicContact CD1-CG 3.94Å; A20-Y24 PolarHBondContact O-N 3.31Å; A20-Y24 VanDerWaalsContact O-N 3.11Å; I21-Y24 PolarHBondContact O-N 3.34Å; L22-Y24 VanDerWaalsContact C-N 3.29Å; L22-Y24 PolarHBondContact O-N 3.05Å; Y24-A26 PolarHBondContact O-N 3.28Å; Y24-S27 PolarHBondContact O-N 3.49Å; Y24-K28 HydrophobicContact CE1-CD 4.06Å; Y24-K28 WeakPolarHBondContact O-CB 3.3Å; Y24-K28 PolarHBondContact O-N 3.33Å
25I98.9Very high98.6Very high58 Ų5862.5 Ų62.530%0.29732%0.318SS..Hα-helixtrans-58.5-48.6178.8-67.9170.5000110.4I10 I21 L22 S27 K28 Y29I10-I25 HydrophobicContact CD1-CG1 4.41Å; I21-I25 HydrophobicContact CG2-CD1 3.85Å; I21-I25 WeakPolarHBondContact O-CG1 3.27Å; I21-I25 PolarHBondContact O-N 3.18Å; L22-I25 PolarHBondContact O-N 3.44Å; I25-S27 VanDerWaalsContact C-N 3.3Å; I25-S27 PolarHBondContact O-N 2.95Å; I25-K28 PolarHBondContact O-N 2.89Å; I25-Y29 HydrophobicContact CG2-CD2 3.84Å; I25-Y29 HydrophobicContact CG2-CE2 4.17Å; I25-Y29 VanDerWaalsContact O-CD2 3.26Å; I25-Y29 WeakPolarHBondContact O-CD2 3.13Å; I25-Y29 PolarHBondContact O-N 2.7Å
26A98.8Very high98.6Very high4 Ų468.6 Ų68.63%0.03335%0.348CS..Hα-helixtrans-62.5-37.7-18000000112.4L22 Y24 N30 L31 Y32 R105L22-A26 VanDerWaalsContact O-CB 3.3Å; L22-A26 WeakPolarHBondContact O-CB 3.39Å; L22-A26 PolarHBondContact O-N 2.9Å; Y24-A26 PolarHBondContact O-N 3.28Å; A26-N30 PolarHBondContact O-N 3.4Å; A26-L31 HydrophobicContact CB-CB 4.32Å; A26-L31 PolarHBondContact O-N 3.41Å; A26-Y32 HydrophobicContact CB-CD1 4.41Å; A26-Y32 HydrophobicContact CB-CD2 4.4Å; A26-Y32 HydrophobicContact CB-CG 4.03Å; A26-R105 HydrophobicContact CB-CB 4.08Å; A26-R105 HydrophobicContact CB-CG 4.16Å
27S98.7Very high98.6Very high49 Ų4975.8 Ų75.834%0.34338%0.378SS..Hα-helixtrans-65.5-48.9173.6-60.20000111.6N23 Y24 I25 Y29 N30 Y32 R39N23-S27 WeakPolarHBondContact O-CB 3.29Å; N23-S27 PolarHBondContact O-N 3.45Å; N23-S27 VanDerWaalsContact O-N 3.07Å; N23-S27 PolarHBondContact O-OG 2.82Å; Y24-S27 PolarHBondContact O-N 3.49Å; I25-S27 VanDerWaalsContact C-N 3.3Å; I25-S27 PolarHBondContact O-N 2.95Å; S27-Y29 VanDerWaalsContact C-N 3.27Å; S27-Y29 PolarHBondContact O-N 3.32Å; S27-N30 PolarHBondContact O-N 3.07Å; S27-Y32 WeakPolarHBondContact OG-CD2 3.48Å; S27-R39 PolarHBondContact OG-NH2 3.31Å
28K98.7Very high98.6Very high80 Ų8072.1 Ų72.135%0.34836%0.361SS..Hα-helixtrans-59.5-37.4-176.7-177.1-177.7176.781.50112.4I10 D11 Y24 I25I10-K28 HydrophobicContact CD1-CD 4.34Å; D11-K28 IonicContact OD1-NZ 3.17Å; D11-K28 PolarHBondContact OD1-NZ 3.14Å; D11-K28 WeakPolarHBondContact OD2-CD 3.28Å; D11-K28 VanDerWaalsContact OD2-CE 3.24Å; D11-K28 WeakPolarHBondContact OD2-CE 3.41Å; D11-K28 IonicContact OD2-NZ 2.75Å; D11-K28 PolarHBondContact OD2-NZ 2.79Å; Y24-K28 HydrophobicContact CE1-CD 4.06Å; Y24-K28 WeakPolarHBondContact O-CB 3.3Å; Y24-K28 PolarHBondContact O-N 3.33Å; I25-K28 PolarHBondContact O-N 2.89Å
29Y98.7Very high98.6Very high134 Ų13473.6 Ų73.653%0.52536%0.358SS..THydrogen-bonded Turntrans-105.119.8-175.7-60.6-68.2000114.1I25 S27 L31I25-Y29 HydrophobicContact CG2-CD2 3.84Å; I25-Y29 HydrophobicContact CG2-CE2 4.17Å; I25-Y29 VanDerWaalsContact O-CD2 3.26Å; I25-Y29 WeakPolarHBondContact O-CD2 3.13Å; I25-Y29 PolarHBondContact O-N 2.7Å; S27-Y29 VanDerWaalsContact C-N 3.27Å; S27-Y29 PolarHBondContact O-N 3.32Å; Y29-L31 VanDerWaalsContact C-N 3.32Å; Y29-L31 PolarHBondContact O-N 2.49Å
30N98.5Very high98.6Very high116 Ų11671.3 Ų71.362%0.6236%0.359SS*.THydrogen-bonded Turntrans58.837174.8-56.6-60.4000114.6A26 S27 R102A26-N30 PolarHBondContact O-N 3.4Å; S27-N30 PolarHBondContact O-N 3.07Å; N30-R102 PolarHBondContact O-NH2 3.38Å
31L98.9Very high98.6Very high40 Ų4072.3 Ų72.321%0.20936%0.357CS..  trans-105.915.7178.1-66.3169.7000112.6A26 Y29 L103 S104 R105 I108A26-L31 HydrophobicContact CB-CB 4.32Å; A26-L31 PolarHBondContact O-N 3.41Å; Y29-L31 VanDerWaalsContact C-N 3.32Å; Y29-L31 PolarHBondContact O-N 2.49Å; L31-L103 HydrophobicContact CD2-CD2 4.16Å; L31-L103 HydrophobicContact CD2-CG 4.09Å; L31-S104 CarbonylContact O-C 3.57Å; L31-S104 WeakPolarHBondContact O-CA 3.45Å; L31-R105 PolarHBondContact O-N 3.03Å; L31-I108 HydrophobicContact CD1-CD1 4Å; L31-I108 HydrophobicContact CD2-CD1 4.48Å
32Y98.6Very high98.6Very high11 Ų1171.8 Ų71.84%0.04335%0.354CS..SBendtrans-128.138.3-167.6-150.725000115N23 A26 S27 R39 I42 D43 R105N23-Y32 HydrophobicContact CB-CE2 4.14Å; N23-Y32 PolarHBondContact OD1-OH 2.65Å; A26-Y32 HydrophobicContact CB-CD1 4.41Å; A26-Y32 HydrophobicContact CB-CD2 4.4Å; A26-Y32 HydrophobicContact CB-CG 4.03Å; S27-Y32 WeakPolarHBondContact OG-CD2 3.48Å; Y32-R39 HydrophobicContact CD1-CG 4.24Å; Y32-R39 HydrophobicContact CD2-CG 4.38Å; Y32-R39 VanDerWaalsContact CD2-NE 3.31Å; Y32-R39 HydrophobicContact CE1-CG 4Å; Y32-R39 HydrophobicContact CE2-CG 4.17Å; Y32-R39 HydrophobicContact CG-CG 4.43Å; Y32-I42 HydrophobicContact CD1-CB 4.39Å; Y32-I42 HydrophobicContact CD1-CG2 3.72Å; Y32-I42 HydrophobicContact CE1-CG2 3.85Å; Y32-D43 WeakPolarHBondContact CE1-OD1 3.35Å; Y32-D43 PolarHBondContact OH-OD1 2.86Å; Y32-R105 VanDerWaalsContact CD1-CD 3.5Å; Y32-R105 HydrophobicContact CD1-CG 4.1Å; Y32-R105 HydrophobicContact CE1-CG 4.49Å
33G98.1Very high98.7Very high21 Ų2170.4 Ų70.422%0.21635%0.347CS..  trans75162.6179.400000113.1I42G33-I42 VanDerWaalsContact N-CD1 3.27Å
34K97.9Very high98.7Very high145 Ų14573.4 Ų73.463%0.6336%0.361SS*.SBendtrans-88.1-20.7177.679.7-162.7-179.4-1400113.7E38K34-E38 WeakPolarHBondContact CD-OE1 3.4Å; K34-E38 WeakPolarHBondContact CE-OE1 3.16Å; K34-E38 WeakPolarHBondContact CG-OE2 3.44Å; K34-E38 PolarHBondContact N-OE2 3.46Å; K34-E38 IonicContact NZ-OE1 3.1Å; K34-E38 PolarHBondContact NZ-OE1 3.3Å
35D98.4Very high98.7Very high68 Ų6871.7 Ų71.736%0.36435%0.354SS..SBendtrans-147.9176-176.363.647.5000111.5K37 E38 R39D35-K37 PolarHBondContact O-N 2.98Å; D35-K37 WeakPolarHBondContact OD1-CA 3.36Å; D35-K37 WeakPolarHBondContact OD1-CB 3.38Å; D35-K37 PolarHBondContact OD1-N 2.87Å; D35-E38 PolarHBondContact O-N 2.9Å; D35-E38 PolarHBondContact OD1-N 3.42Å; D35-R39 WeakPolarHBondContact O-CB 3.19Å; D35-R39 PolarHBondContact O-N 2.86Å
36M98.5Very high98.6Very high165 Ų16569.3 Ų69.381%0.81334%0.342SS*.Hα-helixtrans-63.4-28.1-177.8-169.317571.500113.1A40M36-A40 WeakPolarHBondContact O-CB 3.43Å; M36-A40 PolarHBondContact O-N 3.35Å
37K98.6Very high98.6Very high165 Ų16572.7 Ų72.772%0.71736%0.357SS*.Hα-helixtrans-74.9-47.4179.3-65.8-178.1177.9179.60110.5D35 R39 A40 I41D35-K37 PolarHBondContact O-N 2.98Å; D35-K37 WeakPolarHBondContact OD1-CA 3.36Å; D35-K37 WeakPolarHBondContact OD1-CB 3.38Å; D35-K37 PolarHBondContact OD1-N 2.87Å; K37-R39 VanDerWaalsContact C-N 3.31Å; K37-R39 PolarHBondContact O-N 2.82Å; K37-A40 PolarHBondContact O-N 2.6Å; K37-I41 WeakPolarHBondContact O-CG1 3.42Å; K37-I41 PolarHBondContact O-N 3.23Å; K37-I41 VanDerWaalsContact O-N 3.14Å
38E98.7Very high98.6Very high19 Ų1971.1 Ų71.19%0.08935%0.349CS..Hα-helixtrans-61.4-41.7174.8-73.8-175-17700111.2K34 D35 A40 I41 I42 V99K34-E38 WeakPolarHBondContact CD-OE1 3.4Å; K34-E38 WeakPolarHBondContact CE-OE1 3.16Å; K34-E38 WeakPolarHBondContact CG-OE2 3.44Å; K34-E38 PolarHBondContact N-OE2 3.46Å; K34-E38 IonicContact NZ-OE1 3.1Å; K34-E38 PolarHBondContact NZ-OE1 3.3Å; D35-E38 PolarHBondContact O-N 2.9Å; D35-E38 PolarHBondContact OD1-N 3.42Å; E38-A40 PolarHBondContact O-N 2.82Å; E38-I41 PolarHBondContact O-N 3.25Å; E38-I42 VanDerWaalsContact O-CG1 3.31Å; E38-I42 WeakPolarHBondContact O-CG1 3.31Å; E38-I42 PolarHBondContact O-N 2.82Å; E38-V99 HydrophobicContact CB-CG1 3.88Å; E38-V99 HydrophobicContact CG-CG1 3.89Å
39R98.7Very high98.6Very high99 Ų9967.8 Ų67.837%0.37434%0.335SS..Hα-helixtrans-58.7-46.1174.9-178.9173.3-72.6-174.1-7.5112.1S27 Y32 D35 K37 I41 I42 D43S27-R39 PolarHBondContact OG-NH2 3.31Å; Y32-R39 HydrophobicContact CD1-CG 4.24Å; Y32-R39 HydrophobicContact CD2-CG 4.38Å; Y32-R39 VanDerWaalsContact CD2-NE 3.31Å; Y32-R39 HydrophobicContact CE1-CG 4Å; Y32-R39 HydrophobicContact CE2-CG 4.17Å; Y32-R39 HydrophobicContact CG-CG 4.43Å; D35-R39 WeakPolarHBondContact O-CB 3.19Å; D35-R39 PolarHBondContact O-N 2.86Å; K37-R39 VanDerWaalsContact C-N 3.31Å; K37-R39 PolarHBondContact O-N 2.82Å; R39-I41 VanDerWaalsContact C-N 3.28Å; R39-I41 PolarHBondContact O-N 3.42Å; R39-I42 PolarHBondContact O-N 3.17Å; R39-D43 WeakPolarHBondContact O-CB 3.35Å; R39-D43 PolarHBondContact O-N 3.34Å
40A98.8Very high98.6Very high56 Ų5663 Ų6346%0.46332%0.324SS..Hα-helixtrans-61.1-37.1179.100000112.6M36 K37 E38 M44M36-A40 WeakPolarHBondContact O-CB 3.43Å; M36-A40 PolarHBondContact O-N 3.35Å; K37-A40 PolarHBondContact O-N 2.6Å; E38-A40 PolarHBondContact O-N 2.82Å; A40-M44 WeakPolarHBondContact O-CB 3.43Å; A40-M44 PolarHBondContact O-N 2.85Å
41I98.8Very high98.6Very high66 Ų6661.8 Ų61.834%0.33832%0.317SS..Hα-helixtrans-69-44175.4-63.4169.1000110.5K37 E38 R39 D43 M44 Y45 V99K37-I41 WeakPolarHBondContact O-CG1 3.42Å; K37-I41 PolarHBondContact O-N 3.23Å; K37-I41 VanDerWaalsContact O-N 3.14Å; E38-I41 PolarHBondContact O-N 3.25Å; R39-I41 VanDerWaalsContact C-N 3.28Å; R39-I41 PolarHBondContact O-N 3.42Å; I41-D43 VanDerWaalsContact C-N 3.3Å; I41-D43 PolarHBondContact O-N 3.25Å; I41-M44 PolarHBondContact O-N 3.14Å; I41-Y45 HydrophobicContact CG2-CD2 3.98Å; I41-Y45 HydrophobicContact CG2-CE1 3.97Å; I41-Y45 HydrophobicContact CG2-CE2 3.37Å; I41-Y45 WeakPolarHBondContact CG2-OH 3.5Å; I41-Y45 VanDerWaalsContact O-CG 3.3Å; I41-Y45 PolarHBondContact O-N 3.01Å; I41-V99 HydrophobicContact CB-CG2 4.4Å; I41-V99 HydrophobicContact CG2-CG2 3.69Å
42I98.9Very high98.6Very high1 Ų159.9 Ų59.91%0.00531%0.307CS..Hα-helixtrans-60-41.9175.3-68.8165.2000111Y32 G33 E38 R39 Y45 T46 V99 R105 A106Y32-I42 HydrophobicContact CD1-CB 4.39Å; Y32-I42 HydrophobicContact CD1-CG2 3.72Å; Y32-I42 HydrophobicContact CE1-CG2 3.85Å; G33-I42 VanDerWaalsContact N-CD1 3.27Å; E38-I42 VanDerWaalsContact O-CG1 3.31Å; E38-I42 WeakPolarHBondContact O-CG1 3.31Å; E38-I42 PolarHBondContact O-N 2.82Å; R39-I42 PolarHBondContact O-N 3.17Å; I42-Y45 PolarHBondContact O-N 2.93Å; I42-T46 HydrophobicContact CG2-CG2 4.28Å; I42-T46 WeakPolarHBondContact O-CB 3.27Å; I42-T46 WeakPolarHBondContact O-CG2 3.3Å; I42-T46 PolarHBondContact O-N 2.71Å; I42-T46 PolarHBondContact O-OG1 3.48Å; I42-V99 HydrophobicContact CD1-CB 4.45Å; I42-V99 HydrophobicContact CD1-CG1 4.33Å; I42-V99 HydrophobicContact CG1-CB 4.01Å; I42-V99 HydrophobicContact CG1-CG1 4.11Å; I42-V99 HydrophobicContact CG1-CG2 3.79Å; I42-R105 HydrophobicContact CG2-CG 3.45Å; I42-R105 VanDerWaalsContact CG2-CG 3.45Å; I42-A106 HydrophobicContact CG2-CB 4.15Å
43D98.9Very high98.6Very high50 Ų5061.2 Ų61.227%0.26731%0.314SS..Hα-helixtrans-61.7-49176.1-73.3-25.3000110.9Y32 R39 I41 Y45 T46 E47Y32-D43 WeakPolarHBondContact CE1-OD1 3.35Å; Y32-D43 PolarHBondContact OH-OD1 2.86Å; R39-D43 WeakPolarHBondContact O-CB 3.35Å; R39-D43 PolarHBondContact O-N 3.34Å; I41-D43 VanDerWaalsContact C-N 3.3Å; I41-D43 PolarHBondContact O-N 3.25Å; D43-Y45 VanDerWaalsContact C-N 3.28Å; D43-Y45 PolarHBondContact O-N 3.46Å; D43-T46 PolarHBondContact O-N 3.38Å; D43-T46 PolarHBondContact O-OG1 3.03Å; D43-E47 VanDerWaalsContact O-CB 3.32Å; D43-E47 WeakPolarHBondContact O-CB 3.33Å; D43-E47 WeakPolarHBondContact O-CG 3.5Å; D43-E47 PolarHBondContact O-N 3.42Å
44M98.8Very high98.5Very high120 Ų12064.2 Ų64.259%0.59132%0.324SS*.Hα-helixtrans-56-42.7176.6179.1176.670.900112.5A40 I41 G48A40-M44 WeakPolarHBondContact O-CB 3.43Å; A40-M44 PolarHBondContact O-N 2.85Å; I41-M44 PolarHBondContact O-N 3.14Å; M44-G48 PolarHBondContact O-N 3.2Å; M44-G48 VanDerWaalsContact O-N 3.16Å
45Y98.8Very high98.5Very high38 Ų3859.2 Ų59.215%0.14930%0.304CS..Hα-helixtrans-69-46.9178.5-66.7-10.1000112.3I41 I42 D43 E47 G48 V49 F86 V89 L98 V99 A106I41-Y45 HydrophobicContact CG2-CD2 3.98Å; I41-Y45 HydrophobicContact CG2-CE1 3.97Å; I41-Y45 HydrophobicContact CG2-CE2 3.37Å; I41-Y45 WeakPolarHBondContact CG2-OH 3.5Å; I41-Y45 VanDerWaalsContact O-CG 3.3Å; I41-Y45 PolarHBondContact O-N 3.01Å; I42-Y45 PolarHBondContact O-N 2.93Å; D43-Y45 VanDerWaalsContact C-N 3.28Å; D43-Y45 PolarHBondContact O-N 3.46Å; Y45-E47 VanDerWaalsContact C-N 3.35Å; Y45-E47 PolarHBondContact O-N 3.28Å; Y45-G48 PolarHBondContact O-N 3.28Å; Y45-V49 WeakPolarHBondContact O-CG2 3.18Å; Y45-V49 PolarHBondContact O-N 3.03Å; Y45-F86 HydrophobicContact CD1-CE1 4.26Å; Y45-F86 HydrophobicContact CG-CE1 4.07Å; Y45-V89 HydrophobicContact CE1-CG2 4Å; Y45-V89 HydrophobicContact CE2-CG1 3.96Å; Y45-V89 WeakPolarHBondContact OH-CG1 3.48Å; Y45-V89 WeakPolarHBondContact OH-CG2 3.4Å; Y45-L98 HydrophobicContact CD2-CB 4.06Å; Y45-L98 HydrophobicContact CD2-CD1 4.37Å; Y45-L98 HydrophobicContact CE2-CB 4.09Å; Y45-V99 HydrophobicContact CD2-CG2 3.83Å; Y45-V99 HydrophobicContact CE2-CG2 3.61Å; Y45-A106 HydrophobicContact CD2-CB 4.34Å
46T98.8Very high98.5Very high8 Ų856.8 Ų56.85%0.04929%0.29CS..Hα-helixtrans-69.6-30.4-179.252.30000113.2I42 D43 V49 A50 R105 A106 A109I42-T46 HydrophobicContact CG2-CG2 4.28Å; I42-T46 WeakPolarHBondContact O-CB 3.27Å; I42-T46 WeakPolarHBondContact O-CG2 3.3Å; I42-T46 PolarHBondContact O-N 2.71Å; I42-T46 PolarHBondContact O-OG1 3.48Å; D43-T46 PolarHBondContact O-N 3.38Å; D43-T46 PolarHBondContact O-OG1 3.03Å; T46-V49 PolarHBondContact O-N 3.05Å; T46-A50 WeakPolarHBondContact O-CB 3.39Å; T46-A50 PolarHBondContact O-N 2.67Å; T46-R105 HydrophobicContact CG2-CG 4.15Å; T46-A106 HydrophobicContact CG2-CB 4.12Å; T46-A109 HydrophobicContact CG2-CB 4.27Å
47E98.7Very high98.5Very high75 Ų7554 Ų5435%0.3528%0.278SS..Hα-helixtrans-69.6-39.8171.9-69.1-68.9129.800111.3K19 D43 Y45 V49 A50 D51K19-E47 WeakPolarHBondContact CD-OE1 3.37Å; K19-E47 WeakPolarHBondContact CE-OE1 3.39Å; K19-E47 IonicContact NZ-OE1 2.65Å; K19-E47 PolarHBondContact NZ-OE1 2.85Å; K19-E47 IonicContact NZ-OE2 2.79Å; K19-E47 PolarHBondContact NZ-OE2 3.24Å; D43-E47 VanDerWaalsContact O-CB 3.32Å; D43-E47 WeakPolarHBondContact O-CB 3.33Å; D43-E47 WeakPolarHBondContact O-CG 3.5Å; D43-E47 PolarHBondContact O-N 3.42Å; Y45-E47 VanDerWaalsContact C-N 3.35Å; Y45-E47 PolarHBondContact O-N 3.28Å; E47-V49 VanDerWaalsContact C-N 3.34Å; E47-V49 PolarHBondContact O-N 2.93Å; E47-A50 PolarHBondContact O-N 2.77Å; E47-D51 PolarHBondContact O-N 3.22Å
48G98.6Very high98.4Very high17 Ų1752.3 Ų52.318%0.17527%0.268CS..Hα-helixtrans-62.3-39.6172.100000113.1M44 Y45 Y82M44-G48 PolarHBondContact O-N 3.2Å; M44-G48 VanDerWaalsContact O-N 3.16Å; Y45-G48 PolarHBondContact O-N 3.28Å; G48-Y82 WeakPolarHBondContact O-CD1 3.29Å; G48-Y82 WeakPolarHBondContact O-CE1 3.39Å
49V98.8Very high98.3Very high9 Ų953.6 Ų53.66%0.05527%0.272CS..Hα-helixtrans-60.6-49.5170.8166.60000110.5Y45 T46 E47 D51 L52 E53 F86 A109 L110 L113Y45-V49 WeakPolarHBondContact O-CG2 3.18Å; Y45-V49 PolarHBondContact O-N 3.03Å; T46-V49 PolarHBondContact O-N 3.05Å; E47-V49 VanDerWaalsContact C-N 3.34Å; E47-V49 PolarHBondContact O-N 2.93Å; V49-D51 VanDerWaalsContact C-N 3.27Å; V49-D51 PolarHBondContact O-N 3.21Å; V49-L52 PolarHBondContact O-N 2.92Å; V49-L52 VanDerWaalsContact O-N 3.14Å; V49-E53 VanDerWaalsContact O-CB 3.28Å; V49-E53 WeakPolarHBondContact O-CB 3.32Å; V49-E53 PolarHBondContact O-N 3.01Å; V49-F86 HydrophobicContact CG2-CE2 4.08Å; V49-F86 HydrophobicContact CG2-CZ 3.71Å; V49-A109 HydrophobicContact CG1-CB 4.12Å; V49-L110 HydrophobicContact CG2-CB 4.41Å; V49-L110 HydrophobicContact CG2-CD1 4.35Å; V49-L113 HydrophobicContact CB-CD2 4.25Å; V49-L113 HydrophobicContact CG1-CB 4.03Å; V49-L113 HydrophobicContact CG1-CD2 3.95Å; V49-L113 HydrophobicContact CG2-CD2 4.08Å
50A98.4Very high98.2Very high34 Ų3452.5 Ų52.528%0.28128%0.278SS..Hα-helixtrans-60-34.7-177.600000113.2T46 E47 I54T46-A50 WeakPolarHBondContact O-CB 3.39Å; T46-A50 PolarHBondContact O-N 2.67Å; E47-A50 PolarHBondContact O-N 2.77Å; A50-I54 WeakPolarHBondContact O-CB 3.42Å; A50-I54 WeakPolarHBondContact O-CG2 3.39Å; A50-I54 PolarHBondContact O-N 3.47Å
51D98.6Very high98.1Very high91 Ų9157.3 Ų57.349%0.48729%0.291SS..Hα-helixtrans-64.6-35.3177.1-79.8-11.1000113.2E47 V49 I54 M55 Y82E47-D51 PolarHBondContact O-N 3.22Å; V49-D51 VanDerWaalsContact C-N 3.27Å; V49-D51 PolarHBondContact O-N 3.21Å; D51-I54 WeakPolarHBondContact O-CG2 3.5Å; D51-M55 WeakPolarHBondContact O-CG 3.46Å; D51-Y82 HydrophobicContact CB-CE1 4.32Å; D51-Y82 WeakPolarHBondContact CB-OH 3.39Å
52L98.4Very high97.9Very high0 Ų057 Ų570%029%0.289CS..Hα-helixtrans-82-42.6174.8-177.656.6000110.9V49 I54 M55 I56 I74 T78 Y82 L113 V117V49-L52 PolarHBondContact O-N 2.92Å; V49-L52 VanDerWaalsContact O-N 3.14Å; L52-I54 VanDerWaalsContact C-N 3.28Å; L52-I54 PolarHBondContact O-N 2.86Å; L52-M55 HydrophobicContact CD1-SD 4.32Å; L52-M55 WeakPolarHBondContact O-CB 3.49Å; L52-M55 PolarHBondContact O-N 2.88Å; L52-I56 HydrophobicContact CG-CD1 4.16Å; L52-I56 PolarHBondContact O-N 2.96Å; L52-I74 HydrophobicContact CD1-CG2 4.3Å; L52-T78 WeakPolarHBondContact CD2-OG1 3.49Å; L52-Y82 HydrophobicContact CB-CD2 3.93Å; L52-Y82 HydrophobicContact CB-CE2 3.93Å; L52-Y82 HydrophobicContact CB-CG 4.24Å; L52-Y82 HydrophobicContact CD1-CD2 4.14Å; L52-Y82 HydrophobicContact CD1-CE2 4.2Å; L52-Y82 HydrophobicContact CD2-CD2 3.78Å; L52-Y82 HydrophobicContact CD2-CG 4.04Å; L52-Y82 HydrophobicContact CG-CD2 4.16Å; L52-Y82 HydrophobicContact CG-CE2 4.44Å; L52-L113 HydrophobicContact CB-CD1 4.32Å; L52-L113 HydrophobicContact CB-CD2 4.45Å; L52-L113 HydrophobicContact CD2-CD1 4.04Å; L52-L113 HydrophobicContact CD2-CD2 4.09Å; L52-L113 HydrophobicContact CD2-CG 4.48Å; L52-L113 HydrophobicContact CG-CD1 4.01Å; L52-V117 HydrophobicContact CD2-CG2 4.29Å
53E98Very high97.8Very high39 Ų3959.3 Ų59.318%0.18230%0.304CS..Hα-helixtrans-57.5-40.1179.9-173.258.6-149.500111.8V49 M55 I56 L57 L113 H116V49-E53 VanDerWaalsContact O-CB 3.28Å; V49-E53 WeakPolarHBondContact O-CB 3.32Å; V49-E53 PolarHBondContact O-N 3.01Å; E53-M55 VanDerWaalsContact C-N 3.28Å; E53-M55 PolarHBondContact O-N 3.48Å; E53-I56 PolarHBondContact O-N 3.47Å; E53-L57 WeakPolarHBondContact O-CB 3.42Å; E53-L57 PolarHBondContact O-N 3.23Å; E53-L113 HydrophobicContact CB-CD1 4.46Å; E53-L113 VanDerWaalsContact OE2-CD1 3.31Å; E53-L113 WeakPolarHBondContact OE2-CD1 3.48Å; E53-H116 VanDerWaalsContact CD-ND1 3.26Å; E53-H116 IonicContact OE1-CE1 2.6Å; E53-H116 PolarHBondContact OE1-CE1 2.95Å; E53-H116 IonicContact OE1-CG 2.64Å; E53-H116 IonicContact OE1-ND1 2.82Å; E53-H116 PolarHBondContact OE1-ND1 3.45Å; E53-H116 IonicContact OE2-ND1 2.71Å; E53-H116 PolarHBondContact OE2-ND1 3.26Å; E53-H116 VanDerWaalsContact OE2-ND1 3.1Å
54I97.5Very high97.8Very high84 Ų8462.2 Ų62.243%0.43133%0.326SS..Hα-helixtrans-64.5-33.1178.1-161.7164.6000112.1A50 D51 L52 Y58A50-I54 WeakPolarHBondContact O-CB 3.42Å; A50-I54 WeakPolarHBondContact O-CG2 3.39Å; A50-I54 PolarHBondContact O-N 3.47Å; D51-I54 WeakPolarHBondContact O-CG2 3.5Å; L52-I54 VanDerWaalsContact C-N 3.28Å; L52-I54 PolarHBondContact O-N 2.86Å; I54-Y58 HydrophobicContact CD1-CE2 3.93Å; I54-Y58 HydrophobicContact CG1-CD2 3.75Å; I54-Y58 HydrophobicContact CG1-CE2 3.44Å; I54-Y58 VanDerWaalsContact CG1-CE2 3.44Å; I54-Y58 WeakPolarHBondContact O-CD2 3.11Å; I54-Y58 PolarHBondContact O-N 3.28Å
55M97.8Very high97.7Very high40 Ų4064 Ų6420%0.19733%0.332CS..Hα-helixtrans-67.6-42.6175.8-55.5176.8103.400110.7D51 L52 E53 Y58 Y59 K73 I74 Q77D51-M55 WeakPolarHBondContact O-CG 3.46Å; L52-M55 HydrophobicContact CD1-SD 4.32Å; L52-M55 WeakPolarHBondContact O-CB 3.49Å; L52-M55 PolarHBondContact O-N 2.88Å; E53-M55 VanDerWaalsContact C-N 3.28Å; E53-M55 PolarHBondContact O-N 3.48Å; M55-Y58 PolarHBondContact O-N 3.16Å; M55-Y59 PolarHBondContact O-N 3.28Å; M55-Y59 VanDerWaalsContact O-N 3.14Å; M55-K73 HydrophobicContact CE-CD 3.69Å; M55-K73 VanDerWaalsContact CE-CE 3.47Å; M55-K73 HydrophobicContact CE-CG 4.09Å; M55-I74 HydrophobicContact CB-CD1 4.31Å; M55-I74 HydrophobicContact CB-CG1 3.93Å; M55-Q77 PolarHBondContact SD-OE1 3.28Å
56I98Very high97.6Very high16 Ų1667.1 Ų67.18%0.08235%0.348CS..Hα-helixtrans-64.8-46177.2-65.2169.2000110.5L52 E53 Y58 Y59 P60 I74 L113 H116 V117 L120L52-I56 HydrophobicContact CG-CD1 4.16Å; L52-I56 PolarHBondContact O-N 2.96Å; E53-I56 PolarHBondContact O-N 3.47Å; I56-Y58 VanDerWaalsContact C-N 3.3Å; I56-Y58 PolarHBondContact O-N 3.26Å; I56-Y59 WeakPolarHBondContact O-CB 3.31Å; I56-Y59 PolarHBondContact O-N 3.36Å; I56-Y59 VanDerWaalsContact O-N 3.16Å; I56-P60 VanDerWaalsContact O-CD 3.27Å; I56-P60 WeakPolarHBondContact O-CD 3.31Å; I56-I74 HydrophobicContact CD1-CG2 4.42Å; I56-I74 HydrophobicContact CG1-CD1 4.38Å; I56-I74 HydrophobicContact CG1-CG2 3.89Å; I56-L113 HydrophobicContact CD1-CD1 3.63Å; I56-H116 HydrophobicContact CD1-CB 4.46Å; I56-H116 HydrophobicContact CG2-CB 4.13Å; I56-V117 HydrophobicContact CD1-CG2 3.59Å; I56-L120 HydrophobicContact CB-CD1 4.38Å; I56-L120 HydrophobicContact CG1-CD1 3.97Å; I56-L120 HydrophobicContact CG2-CD1 3.88Å
57L97.1Very high97.5Very high106 Ų10669.9 Ų69.956%0.55536%0.359SS*.Hα-helixtrans-57.9-40179179.663.9000112.6E53 P60E53-L57 WeakPolarHBondContact O-CB 3.42Å; E53-L57 PolarHBondContact O-N 3.23Å; L57-P60 WeakPolarHBondContact O-CD 3.36Å
58Y96.6Very high97.4Very high130 Ų13074.3 Ų74.351%0.5138%0.38SS..Hα-helixtrans-81.9-20.7179.6-76-62.9000113.9I54 M55 I56 H61 M62I54-Y58 HydrophobicContact CD1-CE2 3.93Å; I54-Y58 HydrophobicContact CG1-CD2 3.75Å; I54-Y58 HydrophobicContact CG1-CE2 3.44Å; I54-Y58 VanDerWaalsContact CG1-CE2 3.44Å; I54-Y58 WeakPolarHBondContact O-CD2 3.11Å; I54-Y58 PolarHBondContact O-N 3.28Å; M55-Y58 PolarHBondContact O-N 3.16Å; I56-Y58 VanDerWaalsContact C-N 3.3Å; I56-Y58 PolarHBondContact O-N 3.26Å; Y58-H61 WeakPolarHBondContact O-CB 3.28Å; Y58-H61 PolarHBondContact O-N 3.28Å; Y58-M62 PolarHBondContact O-N 2.75Å
59Y97.6Very high97.4Very high46 Ų4677 Ų7718%0.1840%0.4CS..G310 helixtrans-52.3-44.4-175.6169.4-107.2000114.6M55 I56 H61 M62 K67 L71 I74 L120M55-Y59 PolarHBondContact O-N 3.28Å; M55-Y59 VanDerWaalsContact O-N 3.14Å; I56-Y59 WeakPolarHBondContact O-CB 3.31Å; I56-Y59 PolarHBondContact O-N 3.36Å; I56-Y59 VanDerWaalsContact O-N 3.16Å; Y59-H61 PolarHBondContact O-N 3.17Å; Y59-H61 VanDerWaalsContact O-N 3.13Å; Y59-M62 PolarHBondContact O-N 3.1Å; Y59-K67 HydrophobicContact CE2-CB 4.03Å; Y59-K67 HydrophobicContact CE2-CD 4.33Å; Y59-K67 HydrophobicContact CE2-CG 4.09Å; Y59-K67 WeakPolarHBondContact CE2-O 3.36Å; Y59-K67 WeakPolarHBondContact O-CE 3.35Å; Y59-L71 HydrophobicContact CE2-CB 3.81Å; Y59-I74 HydrophobicContact CD2-CD1 4.44Å; Y59-I74 HydrophobicContact CG-CD1 4.31Å; Y59-L120 HydrophobicContact CD1-CD2 3.89Å; Y59-L120 HydrophobicContact CE1-CD2 3.8Å
60P96.3Very high97.3Very high77 Ų7777.7 Ų77.750%0.541%0.406SS..G310 helixtrans-57.5-29.6177-26.835.6000113.9I56 L57 K67I56-P60 VanDerWaalsContact O-CD 3.27Å; I56-P60 WeakPolarHBondContact O-CD 3.31Å; L57-P60 WeakPolarHBondContact O-CD 3.36Å; P60-K67 PolarHBondContact O-NZ 3Å
61H96.1Very high97.3Very high156 Ų15678 Ų7872%0.72240%0.402SS*.G310 helixtrans-93.9-2-174.5-57.6-66.6000114.2Y58 Y59Y58-H61 WeakPolarHBondContact O-CB 3.28Å; Y58-H61 PolarHBondContact O-N 3.28Å; Y59-H61 PolarHBondContact O-N 3.17Å; Y59-H61 VanDerWaalsContact O-N 3.13Å
62M95.7Very high97.3Very high61 Ų6176.4 Ų76.430%0.340%0.402SS..SBendtrans-70.3148.9178.7-70.3-69.1175.300112.3Y58 Y59 K67Y58-M62 PolarHBondContact O-N 2.75Å; Y59-M62 PolarHBondContact O-N 3.1Å; M62-K67 HydrophobicContact CB-CG 4.01Å; M62-K67 VanDerWaalsContact O-CE 3.24Å; M62-K67 WeakPolarHBondContact O-CE 3.42Å
63P97.4Very high97.3Very high49 Ų4981.7 Ų81.732%0.31843%0.425SS..  trans-55.9144.2170.4-22.833.4000111.8E65 E66 K67P63-E65 HydrophobicContact CB-CG 4.16Å; P63-E65 PolarHBondContact O-N 3.19Å; P63-E65 VanDerWaalsContact O-N 3.16Å; P63-E66 PolarHBondContact O-N 3.37Å; P63-K67 PolarHBondContact O-N 3.42Å
64P96.9Very high97.3Very high111 Ų11180 Ų8072%0.72142%0.417SS*.Hα-helixtrans-51.2-39.8-179.4-28.735.7000114.4E66 K67P64-E66 VanDerWaalsContact C-N 3.26Å; P64-E66 PolarHBondContact O-N 3.18Å; P64-K67 PolarHBondContact O-N 3.18Å
65E97.2Very high97.3Very high156 Ų15678.7 Ų78.773%0.72941%0.408SS*.Hα-helixtrans-66.9-21.3179.359-91.4-146.300114.1P63P63-E65 HydrophobicContact CB-CG 4.16Å; P63-E65 PolarHBondContact O-N 3.19Å; P63-E65 VanDerWaalsContact O-N 3.16Å
66E97.1Very high97.4Very high105 Ų10581.3 Ų81.349%0.49142%0.42SS..Hα-helixtrans-100.2-16.2179.3-67.6-177.6-15500112.8P63 P64 E68 A69 S70P63-E66 PolarHBondContact O-N 3.37Å; P64-E66 VanDerWaalsContact C-N 3.26Å; P64-E66 PolarHBondContact O-N 3.18Å; E66-E68 PolarHBondContact O-N 3.47Å; E66-A69 PolarHBondContact O-N 3.22Å; E66-S70 WeakPolarHBondContact O-CB 3.42Å; E66-S70 PolarHBondContact O-N 3.12Å
67K95.9Very high97.4Very high65 Ų6581.6 Ų81.628%0.28342%0.421SS..Hα-helixtrans-59.1-45.2-173.3-83-161.7174.3-167.40113.1Y59 P60 M62 P63 P64 A69 S70 L71Y59-K67 HydrophobicContact CE2-CB 4.03Å; Y59-K67 HydrophobicContact CE2-CD 4.33Å; Y59-K67 HydrophobicContact CE2-CG 4.09Å; Y59-K67 WeakPolarHBondContact CE2-O 3.36Å; Y59-K67 WeakPolarHBondContact O-CE 3.35Å; P60-K67 PolarHBondContact O-NZ 3Å; M62-K67 HydrophobicContact CB-CG 4.01Å; M62-K67 VanDerWaalsContact O-CE 3.24Å; M62-K67 WeakPolarHBondContact O-CE 3.42Å; P63-K67 PolarHBondContact O-N 3.42Å; P64-K67 PolarHBondContact O-N 3.18Å; K67-A69 PolarHBondContact O-N 3.5Å; K67-S70 PolarHBondContact O-N 2.81Å; K67-L71 WeakPolarHBondContact O-CB 3.33Å; K67-L71 PolarHBondContact O-N 2.91Å
68E97.3Very high97.4Very high169 Ų16976.6 Ų76.679%0.7940%0.395SS*.Hα-helixtrans-62.4-47.2-178-171.7-179.5172.900111.6E66 S70 L71 A72E66-E68 PolarHBondContact O-N 3.47Å; E68-S70 VanDerWaalsContact C-N 3.35Å; E68-S70 PolarHBondContact O-N 3.31Å; E68-L71 PolarHBondContact O-N 3.33Å; E68-A72 WeakPolarHBondContact O-CB 3.37Å; E68-A72 PolarHBondContact O-N 2.93Å
69A97.7Very high97.5Very high72 Ų7274.8 Ų74.860%0.59539%0.387SS*.Hα-helixtrans-64.5-39.4177.800000112.1E66 K67 A72 K73E66-A69 PolarHBondContact O-N 3.22Å; K67-A69 PolarHBondContact O-N 3.5Å; A69-A72 PolarHBondContact O-N 3.19Å; A69-K73 WeakPolarHBondContact O-CB 3.18Å; A69-K73 PolarHBondContact O-N 3.33Å
70S97.6Very high97.6Very high25 Ų2577.9 Ų77.918%0.17541%0.407CS..Hα-helixtrans-64.3-46.8176.5-167.50000111.7E66 K67 E68 A72 K73 I74E66-S70 WeakPolarHBondContact O-CB 3.42Å; E66-S70 PolarHBondContact O-N 3.12Å; K67-S70 PolarHBondContact O-N 2.81Å; E68-S70 VanDerWaalsContact C-N 3.35Å; E68-S70 PolarHBondContact O-N 3.31Å; S70-A72 PolarHBondContact O-N 2.89Å; S70-K73 WeakPolarHBondContact O-CB 3.28Å; S70-K73 PolarHBondContact O-N 3.19Å; S70-I74 WeakPolarHBondContact O-CG1 3.42Å; S70-I74 PolarHBondContact O-N 3.12Å
71L98.2Very high97.6Very high39 Ų3981.7 Ų81.720%0.20441%0.411CS..Hα-helixtrans-62-44.1176.7-17861.3000111.6Y59 K67 E68 K73 I74 K75 L120Y59-L71 HydrophobicContact CE2-CB 3.81Å; K67-L71 WeakPolarHBondContact O-CB 3.33Å; K67-L71 PolarHBondContact O-N 2.91Å; E68-L71 PolarHBondContact O-N 3.33Å; L71-K73 VanDerWaalsContact C-N 3.29Å; L71-K73 PolarHBondContact O-N 2.95Å; L71-I74 PolarHBondContact O-N 3.27Å; L71-K75 HydrophobicContact CD1-CG 4.45Å; L71-K75 HydrophobicContact CG-CD 4.45Å; L71-K75 WeakPolarHBondContact O-CG 3.27Å; L71-K75 PolarHBondContact O-N 3.43Å; L71-L120 HydrophobicContact CD1-CB 4.11Å; L71-L120 HydrophobicContact CD1-CD2 4.42Å
72A98.3Very high97.8Very high58 Ų5875.2 Ų75.248%0.47938%0.381SS..Hα-helixtrans-58.8-41.8175.800000111.6E68 A69 S70 K75 E76E68-A72 WeakPolarHBondContact O-CB 3.37Å; E68-A72 PolarHBondContact O-N 2.93Å; A69-A72 PolarHBondContact O-N 3.19Å; S70-A72 PolarHBondContact O-N 2.89Å; A72-K75 PolarHBondContact O-N 3.12Å; A72-E76 VanDerWaalsContact O-CB 3.31Å; A72-E76 WeakPolarHBondContact O-CB 3.46Å; A72-E76 PolarHBondContact O-N 3.19Å
73K98.3Very high97.9Very high112 Ų11272.3 Ų72.349%0.48737%0.367SS..Hα-helixtrans-65.1-43.7176.2-172.5-178.1-175.3-169.20112.4M55 A69 S70 L71 E76 Q77M55-K73 HydrophobicContact CE-CD 3.69Å; M55-K73 VanDerWaalsContact CE-CE 3.47Å; M55-K73 HydrophobicContact CE-CG 4.09Å; A69-K73 WeakPolarHBondContact O-CB 3.18Å; A69-K73 PolarHBondContact O-N 3.33Å; S70-K73 WeakPolarHBondContact O-CB 3.28Å; S70-K73 PolarHBondContact O-N 3.19Å; L71-K73 VanDerWaalsContact C-N 3.29Å; L71-K73 PolarHBondContact O-N 2.95Å; K73-E76 PolarHBondContact O-N 3.03Å; K73-Q77 HydrophobicContact CG-CG 4.5Å; K73-Q77 WeakPolarHBondContact O-CB 3.44Å; K73-Q77 WeakPolarHBondContact O-CG 3.41Å; K73-Q77 PolarHBondContact O-N 3.14Å
74I98.4Very high98Very high2 Ų272.3 Ų72.31%0.0137%0.366CS..Hα-helixtrans-57.6-51.3175.6-69.7165.4000109.4L52 M55 I56 Y59 S70 L71 E76 Q77 T78 L120L52-I74 HydrophobicContact CD1-CG2 4.3Å; M55-I74 HydrophobicContact CB-CD1 4.31Å; M55-I74 HydrophobicContact CB-CG1 3.93Å; I56-I74 HydrophobicContact CD1-CG2 4.42Å; I56-I74 HydrophobicContact CG1-CD1 4.38Å; I56-I74 HydrophobicContact CG1-CG2 3.89Å; Y59-I74 HydrophobicContact CD2-CD1 4.44Å; Y59-I74 HydrophobicContact CG-CD1 4.31Å; S70-I74 WeakPolarHBondContact O-CG1 3.42Å; S70-I74 PolarHBondContact O-N 3.12Å; L71-I74 PolarHBondContact O-N 3.27Å; I74-E76 PolarHBondContact O-N 3.28Å; I74-Q77 PolarHBondContact O-N 3.24Å; I74-T78 WeakPolarHBondContact O-CB 3.39Å; I74-T78 PolarHBondContact O-N 3.48Å; I74-T78 PolarHBondContact O-OG1 3.37Å; I74-L120 HydrophobicContact CD1-CD1 4.47Å; I74-L120 HydrophobicContact CG2-CD1 4.22Å
75K98.5Very high98.1Very high57 Ų5769.4 Ų69.425%0.24835%0.352CS..Hα-helixtrans-60.4-43.1179.5-67.7-173.9-177.8-142.60112.8L71 A72 R79 L120 D121L71-K75 HydrophobicContact CD1-CG 4.45Å; L71-K75 HydrophobicContact CG-CD 4.45Å; L71-K75 WeakPolarHBondContact O-CG 3.27Å; L71-K75 PolarHBondContact O-N 3.43Å; A72-K75 PolarHBondContact O-N 3.12Å; K75-R79 WeakPolarHBondContact O-CB 3.44Å; K75-R79 VanDerWaalsContact O-CG 3.26Å; K75-R79 WeakPolarHBondContact O-CG 3.42Å; K75-R79 PolarHBondContact O-N 3.22Å; K75-L120 WeakPolarHBondContact CE-O 3.47Å; K75-L120 PolarHBondContact NZ-O 3.41Å; K75-D121 HydrophobicContact CD-CB 4.11Å; K75-D121 HydrophobicContact CG-CB 4.05Å; K75-D121 IonicContact NZ-OD1 3.86Å; K75-D121 PolarHBondContact NZ-OD1 3.42Å
76E98.4Very high98.1Very high95 Ų9562.4 Ų62.444%0.44432%0.319SS..Hα-helixtrans-60.1-50.1177-171.3-74.2139.100111A72 K73 I74 R79 N80A72-E76 VanDerWaalsContact O-CB 3.31Å; A72-E76 WeakPolarHBondContact O-CB 3.46Å; A72-E76 PolarHBondContact O-N 3.19Å; K73-E76 PolarHBondContact O-N 3.03Å; I74-E76 PolarHBondContact O-N 3.28Å; E76-R79 PolarHBondContact O-N 2.96Å; E76-N80 WeakPolarHBondContact O-CB 3.32Å; E76-N80 PolarHBondContact O-N 2.65Å; E76-N80 PolarHBondContact O-ND2 2.98Å; E76-N80 PolarHBondContact OE1-ND2 3.07Å
77Q98.3Very high98.2Very high23 Ų2358.7 Ų58.711%0.10730%0.301CS..Hα-helixtrans-67.8-39.7-178.8-69.3-162.7-4.600112.5M55 K73 I74 R79 R81 Y82M55-Q77 PolarHBondContact SD-OE1 3.28Å; K73-Q77 HydrophobicContact CG-CG 4.5Å; K73-Q77 WeakPolarHBondContact O-CB 3.44Å; K73-Q77 WeakPolarHBondContact O-CG 3.41Å; K73-Q77 PolarHBondContact O-N 3.14Å; I74-Q77 PolarHBondContact O-N 3.24Å; Q77-R79 PolarHBondContact O-N 3.13Å; Q77-R81 WeakPolarHBondContact O-CA 3.38Å; Q77-R81 VanDerWaalsContact O-CB 3.23Å; Q77-R81 WeakPolarHBondContact O-CB 3.35Å; Q77-R81 PolarHBondContact O-N 2.86Å; Q77-Y82 HydrophobicContact CB-CD2 3.94Å; Q77-Y82 HydrophobicContact CB-CE2 3.81Å; Q77-Y82 WeakPolarHBondContact O-CD2 3.37Å; Q77-Y82 PolarHBondContact O-N 2.98Å
78T98.5Very high98.4Very high1 Ų163 Ų631%0.00632%0.32CS..Iπ-helixtrans-52.7-56.2171.5-67.10000110.3L52 I74 F83 V117 V124L52-T78 WeakPolarHBondContact CD2-OG1 3.49Å; I74-T78 WeakPolarHBondContact O-CB 3.39Å; I74-T78 PolarHBondContact O-N 3.48Å; I74-T78 PolarHBondContact O-OG1 3.37Å; T78-F83 HydrophobicContact CG2-CD1 3.97Å; T78-F83 HydrophobicContact CG2-CD2 3.69Å; T78-F83 HydrophobicContact CG2-CE1 3.89Å; T78-F83 HydrophobicContact CG2-CE2 3.62Å; T78-F83 HydrophobicContact CG2-CG 3.89Å; T78-F83 HydrophobicContact CG2-CZ 3.72Å; T78-F83 WeakPolarHBondContact O-CB 3.48Å; T78-F83 PolarHBondContact O-N 2.92Å; T78-V117 HydrophobicContact CG2-CG1 3.59Å; T78-V117 HydrophobicContact CG2-CG2 4.41Å; T78-V124 HydrophobicContact CG2-CG2 4.12Å
79R98.4Very high98.4Very high92 Ų9256 Ų5635%0.34729%0.289SS..Iπ-helixtrans-73.4-34.9-170.1-69.8171179.6-93.25.5113.4K75 E76 Q77 P84 D121 V124K75-R79 WeakPolarHBondContact O-CB 3.44Å; K75-R79 VanDerWaalsContact O-CG 3.26Å; K75-R79 WeakPolarHBondContact O-CG 3.42Å; K75-R79 PolarHBondContact O-N 3.22Å; E76-R79 PolarHBondContact O-N 2.96Å; Q77-R79 PolarHBondContact O-N 3.13Å; R79-P84 WeakPolarHBondContact O-CD 3.47Å; R79-P84 WeakPolarHBondContact O-CG 3.36Å; R79-D121 IonicContact CZ-OD2 3.15Å; R79-D121 IonicContact NE-OD2 2.87Å; R79-D121 PolarHBondContact NE-OD2 3.19Å; R79-D121 IonicContact NH2-OD1 3.22Å; R79-D121 PolarHBondContact NH2-OD1 3.3Å; R79-D121 IonicContact NH2-OD2 2.68Å; R79-D121 PolarHBondContact NH2-OD2 3.06Å; R79-V124 HydrophobicContact CG-CG2 3.76Å
80N98.1Very high98.5Very high110 Ų11053.5 Ų53.559%0.58827%0.265SS*.Iπ-helixtrans-108.1-15.5-169.9-60.4-34000114.1E76E76-N80 WeakPolarHBondContact O-CB 3.32Å; E76-N80 PolarHBondContact O-N 2.65Å; E76-N80 PolarHBondContact O-ND2 2.98Å; E76-N80 PolarHBondContact OE1-ND2 3.07Å
81R98.4Very high98.5Very high158 Ų15860.1 Ų60.160%0.59629%0.291SS*.Iπ-helixtrans-121.2-61.7-175-167.8-179.8-144.41795.2113.1Q77 A85Q77-R81 WeakPolarHBondContact O-CA 3.38Å; Q77-R81 VanDerWaalsContact O-CB 3.23Å; Q77-R81 WeakPolarHBondContact O-CB 3.35Å; Q77-R81 PolarHBondContact O-N 2.86Å; R81-A85 WeakPolarHBondContact O-CB 3.23Å
82Y98.7Very high98.5Very high20 Ų2062.8 Ų62.88%0.07831%0.313CS..Iπ-helixtrans-82.4-54.4-166.4-66-76.1000112.4G48 D51 L52 Q77 A85 F86G48-Y82 WeakPolarHBondContact O-CD1 3.29Å; G48-Y82 WeakPolarHBondContact O-CE1 3.39Å; D51-Y82 HydrophobicContact CB-CE1 4.32Å; D51-Y82 WeakPolarHBondContact CB-OH 3.39Å; L52-Y82 HydrophobicContact CB-CD2 3.93Å; L52-Y82 HydrophobicContact CB-CE2 3.93Å; L52-Y82 HydrophobicContact CB-CG 4.24Å; L52-Y82 HydrophobicContact CD1-CD2 4.14Å; L52-Y82 HydrophobicContact CD1-CE2 4.2Å; L52-Y82 HydrophobicContact CD2-CD2 3.78Å; L52-Y82 HydrophobicContact CD2-CG 4.04Å; L52-Y82 HydrophobicContact CG-CD2 4.16Å; L52-Y82 HydrophobicContact CG-CE2 4.44Å; Q77-Y82 HydrophobicContact CB-CD2 3.94Å; Q77-Y82 HydrophobicContact CB-CE2 3.81Å; Q77-Y82 WeakPolarHBondContact O-CD2 3.37Å; Q77-Y82 PolarHBondContact O-N 2.98Å; Y82-A85 WeakPolarHBondContact O-CB 3.45Å; Y82-A85 PolarHBondContact O-N 3.16Å; Y82-A85 VanDerWaalsContact O-N 3.08Å; Y82-F86 VanDerWaalsContact O-CD2 3.23Å; Y82-F86 WeakPolarHBondContact O-CD2 3.44Å; Y82-F86 PolarHBondContact O-N 3.3Å
83F98.7Very high98.5Very high0 Ų063 Ų630%030%0.304CS..Hα-helixtrans-62.9-42.6-179-74.312.8000112.6T78 A85 F86 E87 L114 V117 V124 V125 F128 L131T78-F83 HydrophobicContact CG2-CD1 3.97Å; T78-F83 HydrophobicContact CG2-CD2 3.69Å; T78-F83 HydrophobicContact CG2-CE1 3.89Å; T78-F83 HydrophobicContact CG2-CE2 3.62Å; T78-F83 HydrophobicContact CG2-CG 3.89Å; T78-F83 HydrophobicContact CG2-CZ 3.72Å; T78-F83 WeakPolarHBondContact O-CB 3.48Å; T78-F83 PolarHBondContact O-N 2.92Å; F83-A85 PolarHBondContact O-N 3.47Å; F83-F86 PolarHBondContact O-N 3.08Å; F83-E87 VanDerWaalsContact O-CB 3.27Å; F83-E87 WeakPolarHBondContact O-CB 3.43Å; F83-E87 PolarHBondContact O-N 3.43Å; F83-L114 HydrophobicContact CD1-CD2 4.39Å; F83-L114 HydrophobicContact CE1-CD2 3.65Å; F83-L114 HydrophobicContact CE2-CD2 3.88Å; F83-L114 HydrophobicContact CZ-CD2 3.33Å; F83-V117 HydrophobicContact CE1-CG2 4.33Å; F83-V117 HydrophobicContact CE2-CG1 3.95Å; F83-V117 HydrophobicContact CZ-CB 3.91Å; F83-V117 HydrophobicContact CZ-CG1 3.59Å; F83-V117 HydrophobicContact CZ-CG2 4.07Å; F83-V124 HydrophobicContact CE2-CG1 4.17Å; F83-V125 HydrophobicContact CE2-CG2 3.97Å; F83-F128 HydrophobicContact CB-CD1 3.89Å; F83-F128 HydrophobicContact CB-CD2 3.98Å; F83-F128 HydrophobicContact CB-CE1 3.68Å; F83-F128 HydrophobicContact CB-CE2 3.76Å; F83-F128 HydrophobicContact CB-CG 4.03Å; F83-F128 HydrophobicContact CB-CZ 3.6Å; F83-F128 AromaticContact CD2-CD2 3.6Å; F83-F128 HydrophobicContact CD2-CD2 3.6Å; F83-F128 AromaticContact CD2-CE2 3.69Å; F83-F128 HydrophobicContact CD2-CE2 3.69Å; F83-F128 HydrophobicContact CD2-CG 4.24Å; F83-F128 HydrophobicContact CD2-CZ 4.4Å; F83-F128 HydrophobicContact CG-CD2 4.31Å; F83-F128 HydrophobicContact CG-CE2 4.25Å; F83-L131 HydrophobicContact CB-CD1 3.73Å; F83-L131 HydrophobicContact CD1-CD1 4.25Å; F83-L131 HydrophobicContact CD2-CD1 4.14Å; F83-L131 HydrophobicContact CG-CD1 3.8Å
84P98.8Very high98.5Very high48 Ų4860.9 Ų60.931%0.31231%0.314SS..Hα-helixtrans-57.7-33.1173.3-2634.3000114R79 K88 F128R79-P84 WeakPolarHBondContact O-CD 3.47Å; R79-P84 WeakPolarHBondContact O-CG 3.36Å; P84-K88 WeakPolarHBondContact O-CB 3.41Å; P84-K88 PolarHBondContact O-N 3.37Å; P84-F128 HydrophobicContact CG-CE1 3.91Å; P84-F128 HydrophobicContact CG-CZ 4.29Å
85A98.8Very high98.5Very high50 Ų5064.3 Ų64.341%0.41333%0.33SS..Hα-helixtrans-68.5-47.8178.600000111.4R81 Y82 F83 K88 V89R81-A85 WeakPolarHBondContact O-CB 3.23Å; Y82-A85 WeakPolarHBondContact O-CB 3.45Å; Y82-A85 PolarHBondContact O-N 3.16Å; Y82-A85 VanDerWaalsContact O-N 3.08Å; F83-A85 PolarHBondContact O-N 3.47Å; A85-K88 PolarHBondContact O-N 3.33Å; A85-V89 WeakPolarHBondContact O-CG2 3.18Å; A85-V89 PolarHBondContact O-N 3.18Å
86F98.8Very high98.5Very high9 Ų968.2 Ų68.24%0.03935%0.353CS..Hα-helixtrans-70.3-41179-67.4-67000112.8Y45 V49 Y82 F83 K88 V89 L90 L98 L110 L131Y45-F86 HydrophobicContact CD1-CE1 4.26Å; Y45-F86 HydrophobicContact CG-CE1 4.07Å; V49-F86 HydrophobicContact CG2-CE2 4.08Å; V49-F86 HydrophobicContact CG2-CZ 3.71Å; Y82-F86 VanDerWaalsContact O-CD2 3.23Å; Y82-F86 WeakPolarHBondContact O-CD2 3.44Å; Y82-F86 PolarHBondContact O-N 3.3Å; F83-F86 PolarHBondContact O-N 3.08Å; F86-K88 PolarHBondContact O-N 2.95Å; F86-V89 WeakPolarHBondContact O-CB 3.41Å; F86-V89 PolarHBondContact O-N 3.19Å; F86-L90 PolarHBondContact O-N 3.08Å; F86-L98 HydrophobicContact CD1-CD2 4.21Å; F86-L110 HydrophobicContact CB-CD1 4.41Å; F86-L110 HydrophobicContact CB-CD2 3.9Å; F86-L110 HydrophobicContact CD1-CD1 4.4Å; F86-L110 HydrophobicContact CD1-CD2 3.94Å; F86-L110 HydrophobicContact CD2-CD1 3.62Å; F86-L110 HydrophobicContact CD2-CD2 4.44Å; F86-L110 HydrophobicContact CE2-CD1 3.92Å; F86-L110 HydrophobicContact CG-CD1 3.9Å; F86-L110 HydrophobicContact CG-CD2 3.85Å; F86-L110 HydrophobicContact CZ-CD1 4.44Å; F86-L131 HydrophobicContact CB-CD1 4.49Å; F86-L131 HydrophobicContact CB-CD2 3.77Å
87E98.8Very high98.5Very high27 Ų2767.8 Ų67.813%0.12635%0.348CS..Hα-helixtrans-56.2-42.8172.5-176.374.8-170.900110.6F83 L90 K91 F128 P129 L130 L131F83-E87 VanDerWaalsContact O-CB 3.27Å; F83-E87 WeakPolarHBondContact O-CB 3.43Å; F83-E87 PolarHBondContact O-N 3.43Å; E87-L90 PolarHBondContact O-N 3Å; E87-K91 VanDerWaalsContact O-CB 3.28Å; E87-K91 WeakPolarHBondContact O-CB 3.27Å; E87-K91 PolarHBondContact O-N 2.89Å; E87-F128 HydrophobicContact CB-CD1 4.07Å; E87-F128 HydrophobicContact CG-CD1 4.22Å; E87-F128 WeakPolarHBondContact OE2-CB 3.04Å; E87-P129 VanDerWaalsContact OE1-CD 3.26Å; E87-P129 WeakPolarHBondContact OE1-CD 3.45Å; E87-L130 WeakPolarHBondContact OE1-CB 3.2Å; E87-L130 WeakPolarHBondContact OE1-CG 3.38Å; E87-L130 PolarHBondContact OE1-N 3.22Å; E87-L130 WeakPolarHBondContact OE2-CB 3.39Å; E87-L130 PolarHBondContact OE2-N 3.06Å; E87-L131 HydrophobicContact CB-CD1 4.5Å; E87-L131 HydrophobicContact CB-CG 4.4Å; E87-L131 WeakPolarHBondContact OE2-CG 3.25Å; E87-L131 PolarHBondContact OE2-N 3.27Å
88K98.7Very high98.5Very high157 Ų15767 Ų6768%0.68335%0.345SS*.Hα-helixtrans-65.4-37.8176.3-178.5179.9177-177.20112.4P84 A85 F86 K91 S92P84-K88 WeakPolarHBondContact O-CB 3.41Å; P84-K88 PolarHBondContact O-N 3.37Å; A85-K88 PolarHBondContact O-N 3.33Å; F86-K88 PolarHBondContact O-N 2.95Å; K88-K91 PolarHBondContact O-N 3.26Å; K88-S92 VanDerWaalsContact O-CB 3.3Å; K88-S92 WeakPolarHBondContact O-CB 3.23Å; K88-S92 PolarHBondContact O-N 3.14Å
89V98.5Very high98.5Very high20 Ų2067.4 Ų67.412%0.12135%0.347CS..Hα-helixtrans-59.5-56.3175.6167.40000109.5Y45 A85 F86 K91 S92 H93 L98Y45-V89 HydrophobicContact CE1-CG2 4Å; Y45-V89 HydrophobicContact CE2-CG1 3.96Å; Y45-V89 WeakPolarHBondContact OH-CG1 3.48Å; Y45-V89 WeakPolarHBondContact OH-CG2 3.4Å; A85-V89 WeakPolarHBondContact O-CG2 3.18Å; A85-V89 PolarHBondContact O-N 3.18Å; F86-V89 WeakPolarHBondContact O-CB 3.41Å; F86-V89 PolarHBondContact O-N 3.19Å; V89-K91 VanDerWaalsContact C-N 3.28Å; V89-K91 PolarHBondContact O-N 3.21Å; V89-S92 WeakPolarHBondContact O-CB 3.45Å; V89-S92 PolarHBondContact O-N 3.04Å; V89-S92 PolarHBondContact O-OG 2.99Å; V89-H93 PolarHBondContact O-CD2 3.2Å; V89-H93 PolarHBondContact O-NE2 3.21Å; V89-L98 HydrophobicContact CB-CD2 4.49Å; V89-L98 HydrophobicContact CG1-CD2 3.97Å
90L98.7Very high98.5Very high21 Ų2164.8 Ų64.811%0.1135%0.349CS..Hα-helixtrans-56.5-43.6179.1-66.5173.9000111.6F86 E87 S92 G94 L98 L130 L131F86-L90 PolarHBondContact O-N 3.08Å; E87-L90 PolarHBondContact O-N 3Å; L90-S92 VanDerWaalsContact C-N 3.31Å; L90-S92 PolarHBondContact O-N 3.05Å; L90-G94 WeakPolarHBondContact O-CA 3.28Å; L90-G94 PolarHBondContact O-N 3.06Å; L90-L98 HydrophobicContact CD2-CD2 3.85Å; L90-L98 HydrophobicContact CD2-CG 4.45Å; L90-L98 HydrophobicContact CG-CD2 4.04Å; L90-L130 HydrophobicContact CB-CB 3.99Å; L90-L130 HydrophobicContact CB-CD1 4.01Å; L90-L130 HydrophobicContact CD1-CB 3.94Å; L90-L130 WeakPolarHBondContact CD1-O 3.42Å; L90-L131 HydrophobicContact CD1-CD2 3.9Å
91K98.6Very high98.4Very high163 Ų16363.7 Ų63.771%0.70934%0.343SS*.Hα-helixtrans-63.3-34.9176.9-170.7172.2-177172.80113.3E87 K88 V89 H93 L130E87-K91 VanDerWaalsContact O-CB 3.28Å; E87-K91 WeakPolarHBondContact O-CB 3.27Å; E87-K91 PolarHBondContact O-N 2.89Å; K88-K91 PolarHBondContact O-N 3.26Å; V89-K91 VanDerWaalsContact C-N 3.28Å; V89-K91 PolarHBondContact O-N 3.21Å; K91-H93 PolarHBondContact O-N 3.37Å; K91-L130 HydrophobicContact CB-CD1 3.61Å; K91-L130 HydrophobicContact CG-CD1 4.33Å
92S98.3Very high98.4Very high95 Ų9560.7 Ų60.766%0.66433%0.332SS*.Hα-helixtrans-68.2-34.3-173.372.70000113.2K88 V89 L90K88-S92 VanDerWaalsContact O-CB 3.3Å; K88-S92 WeakPolarHBondContact O-CB 3.23Å; K88-S92 PolarHBondContact O-N 3.14Å; V89-S92 WeakPolarHBondContact O-CB 3.45Å; V89-S92 PolarHBondContact O-N 3.04Å; V89-S92 PolarHBondContact O-OG 2.99Å; L90-S92 VanDerWaalsContact C-N 3.31Å; L90-S92 PolarHBondContact O-N 3.05Å
93H97.9Very high98.4Very high64 Ų6463.6 Ų63.630%0.29635%0.348SS..Hα-helixtrans-111.9-17.5-178.85666.8000113.5V89 K91 Q95 Y97V89-H93 PolarHBondContact O-CD2 3.2Å; V89-H93 PolarHBondContact O-NE2 3.21Å; K91-H93 PolarHBondContact O-N 3.37Å; H93-Q95 VanDerWaalsContact C-N 3.32Å; H93-Q95 HydrophobicContact CB-CG 4.26Å; H93-Q95 VanDerWaalsContact ND1-CB 3.28Å; H93-Q95 WeakPolarHBondContact ND1-CB 3.3Å; H93-Q95 PolarHBondContact ND1-N 2.94Å; H93-Q95 VanDerWaalsContact ND1-N 3.12Å; H93-Q95 PolarHBondContact O-N 3.48Å; H93-Y97 PolarHBondContact CE1-O 3.05Å; H93-Y97 VanDerWaalsContact CE1-O 3.24Å
94G97.8Very high98.4Very high67 Ų6763.7 Ų63.769%0.69135%0.349SS*.THydrogen-bonded Turntrans61.838177.500000113.2L90L90-G94 WeakPolarHBondContact O-CA 3.28Å; L90-G94 PolarHBondContact O-N 3.06Å
95Q98.2Very high98.4Very high73 Ų7362.9 Ų62.934%0.34134%0.34SS..  trans-114.6161.6179.6-58177.9-18.500109.2H93 Y97 N101H93-Q95 VanDerWaalsContact C-N 3.32Å; H93-Q95 HydrophobicContact CB-CG 4.26Å; H93-Q95 VanDerWaalsContact ND1-CB 3.28Å; H93-Q95 WeakPolarHBondContact ND1-CB 3.3Å; H93-Q95 PolarHBondContact ND1-N 2.94Å; H93-Q95 VanDerWaalsContact ND1-N 3.12Å; H93-Q95 PolarHBondContact O-N 3.48Å; Q95-Y97 VanDerWaalsContact C-N 3.3Å; Q95-Y97 PolarHBondContact O-N 3.49Å; Q95-N101 HydrophobicContact CB-CB 4.45Å; Q95-N101 HydrophobicContact CG-CB 4.37Å
96D98.3Very high98.4Very high139 Ų13960.5 Ų60.574%0.74332%0.32SS*.SBendtrans-77-17.5-174.5-55.9-18.1000113.2
97Y98.8Very high98.4Very high86 Ų8660.9 Ų60.934%0.33732%0.323SS..SBendtrans-126.3150.8-178.5-56.7-81.5000110.9H93 Q95 V99 R102 L103 D107H93-Y97 PolarHBondContact CE1-O 3.05Å; H93-Y97 VanDerWaalsContact CE1-O 3.24Å; Q95-Y97 VanDerWaalsContact C-N 3.3Å; Q95-Y97 PolarHBondContact O-N 3.49Å; Y97-V99 VanDerWaalsContact C-N 3.28Å; Y97-V99 PolarHBondContact O-N 3.07Å; Y97-R102 VanDerWaalsContact CB-O 3.29Å; Y97-R102 WeakPolarHBondContact CB-O 3.4Å; Y97-L103 HydrophobicContact CD1-CB 4.1Å; Y97-L103 HydrophobicContact CD1-CD1 4.15Å; Y97-L103 HydrophobicContact CE1-CB 3.76Å; Y97-L103 HydrophobicContact CE1-CD1 3.9Å; Y97-L103 HydrophobicContact CE1-CG 4.45Å; Y97-D107 WeakPolarHBondContact CA-OD1 3.37Å
98L98.8Very high98.5Very high7 Ų763.5 Ų63.54%0.03734%0.336CS..SBendtrans-62-31.8-176.1-69.1171.2000113.5Y45 F86 V89 L90 A106 D107 L110Y45-L98 HydrophobicContact CD2-CB 4.06Å; Y45-L98 HydrophobicContact CD2-CD1 4.37Å; Y45-L98 HydrophobicContact CE2-CB 4.09Å; F86-L98 HydrophobicContact CD1-CD2 4.21Å; V89-L98 HydrophobicContact CB-CD2 4.49Å; V89-L98 HydrophobicContact CG1-CD2 3.97Å; L90-L98 HydrophobicContact CD2-CD2 3.85Å; L90-L98 HydrophobicContact CD2-CG 4.45Å; L90-L98 HydrophobicContact CG-CD2 4.04Å; L98-A106 HydrophobicContact CD1-CB 3.85Å; L98-D107 WeakPolarHBondContact CB-OD1 3.46Å; L98-D107 WeakPolarHBondContact CG-OD1 3.48Å; L98-D107 PolarHBondContact N-OD1 3.37Å; L98-L110 HydrophobicContact CD1-CB 4.31Å; L98-L110 HydrophobicContact CD1-CD2 3.81Å; L98-L110 HydrophobicContact CD2-CD2 4.15Å; L98-L110 HydrophobicContact CG-CD2 4.41Å
99V98.7Very high98.5Very high9 Ų956.9 Ų56.96%0.05531%0.311CS..SBendtrans-140.4126.5-174.4-174.40000111.5E38 I41 I42 Y45 Y97 N101E38-V99 HydrophobicContact CB-CG1 3.88Å; E38-V99 HydrophobicContact CG-CG1 3.89Å; I41-V99 HydrophobicContact CB-CG2 4.4Å; I41-V99 HydrophobicContact CG2-CG2 3.69Å; I42-V99 HydrophobicContact CD1-CB 4.45Å; I42-V99 HydrophobicContact CD1-CG1 4.33Å; I42-V99 HydrophobicContact CG1-CB 4.01Å; I42-V99 HydrophobicContact CG1-CG1 4.11Å; I42-V99 HydrophobicContact CG1-CG2 3.79Å; Y45-V99 HydrophobicContact CD2-CG2 3.83Å; Y45-V99 HydrophobicContact CE2-CG2 3.61Å; Y97-V99 VanDerWaalsContact C-N 3.28Å; Y97-V99 PolarHBondContact O-N 3.07Å; V99-N101 PolarHBondContact O-N 2.91Å
100G97.6Very high98.5Very high38 Ų3856.3 Ų56.339%0.39231%0.307SS..THydrogen-bonded Turntrans68.518.3167.800000115.1R102G100-R102 PolarHBondContact O-N 3.32Å
101N97.8Very high98.5Very high86 Ų8658.8 Ų58.846%0.4632%0.323SS..THydrogen-bonded Turntrans50.239.1-175.9-160.530.8000113.9Q95 V99Q95-N101 HydrophobicContact CB-CB 4.45Å; Q95-N101 HydrophobicContact CG-CB 4.37Å; V99-N101 PolarHBondContact O-N 2.91Å
102R97.9Very high98.5Very high96 Ų9656.1 Ų56.136%0.36231%0.313SS..SBendtrans-149.6152.2179.159.9-179.7-83.3178.3-5.4109.8N30 Y97 G100 S104N30-R102 PolarHBondContact O-NH2 3.38Å; Y97-R102 VanDerWaalsContact CB-O 3.29Å; Y97-R102 WeakPolarHBondContact CB-O 3.4Å; G100-R102 PolarHBondContact O-N 3.32Å; R102-S104 PolarHBondContact O-N 2.84Å
103L98.8Very high98.5Very high81 Ų8151.6 Ų51.642%0.42428%0.282SS..  trans-56.7132.6174.2-174.868.6000111.2L31 Y97 D107 I108L31-L103 HydrophobicContact CD2-CD2 4.16Å; L31-L103 HydrophobicContact CD2-CG 4.09Å; Y97-L103 HydrophobicContact CD1-CB 4.1Å; Y97-L103 HydrophobicContact CD1-CD1 4.15Å; Y97-L103 HydrophobicContact CE1-CB 3.76Å; Y97-L103 HydrophobicContact CE1-CD1 3.9Å; Y97-L103 HydrophobicContact CE1-CG 4.45Å; L103-D107 HydrophobicContact CD1-CB 3.92Å; L103-I108 HydrophobicContact CD1-CG1 4.19Å
104S98.9Very high98.5Very high2 Ų249.5 Ų49.51%0.01427%0.272CS..  trans-135.3171.3174.577.30000110.7L31 R102 A106 D107 I108L31-S104 CarbonylContact O-C 3.57Å; L31-S104 WeakPolarHBondContact O-CA 3.45Å; R102-S104 PolarHBondContact O-N 2.84Å; S104-A106 PolarHBondContact O-N 3.36Å; S104-A106 PolarHBondContact OG-N 3.41Å; S104-D107 WeakPolarHBondContact CA-OD2 3.24Å; S104-D107 WeakPolarHBondContact CB-OD2 3.5Å; S104-D107 PolarHBondContact N-OD2 3.41Å; S104-D107 PolarHBondContact O-N 3.38Å; S104-D107 PolarHBondContact OG-OD2 3.36Å; S104-I108 PolarHBondContact O-N 2.94Å
105R98.8Very high98.6Very high30 Ų3054.1 Ų54.111%0.11327%0.27CS..Hα-helixtrans-63.3-20173.167.6170.3-63.5-173.4-5.4113.4N23 A26 L31 Y32 I42 T46 A109N23-R105 PolarHBondContact OD1-NH1 2.93Å; A26-R105 HydrophobicContact CB-CB 4.08Å; A26-R105 HydrophobicContact CB-CG 4.16Å; L31-R105 PolarHBondContact O-N 3.03Å; Y32-R105 VanDerWaalsContact CD1-CD 3.5Å; Y32-R105 HydrophobicContact CD1-CG 4.1Å; Y32-R105 HydrophobicContact CE1-CG 4.49Å; I42-R105 HydrophobicContact CG2-CG 3.45Å; I42-R105 VanDerWaalsContact CG2-CG 3.45Å; T46-R105 HydrophobicContact CG2-CG 4.15Å; R105-A109 VanDerWaalsContact O-CB 3.27Å; R105-A109 WeakPolarHBondContact O-CB 3.37Å; R105-A109 PolarHBondContact O-N 2.87Å
106A98.9Very high98.6Very high1 Ų153 Ų531%0.00827%0.265CS..Hα-helixtrans-68.5-41.9177.500000110.5I42 Y45 T46 L98 S104 L110I42-A106 HydrophobicContact CG2-CB 4.15Å; Y45-A106 HydrophobicContact CD2-CB 4.34Å; T46-A106 HydrophobicContact CG2-CB 4.12Å; L98-A106 HydrophobicContact CD1-CB 3.85Å; S104-A106 PolarHBondContact O-N 3.36Å; S104-A106 PolarHBondContact OG-N 3.41Å; A106-L110 VanDerWaalsContact O-CB 3.3Å; A106-L110 WeakPolarHBondContact O-CB 3.46Å; A106-L110 PolarHBondContact O-N 3.19Å
107D98.9Very high98.6Very high17 Ų1746.6 Ų46.69%0.09123%0.231CC..Hα-helixtrans-64.5-45.7178.2-48-79.2000110.3Y97 L98 L103 S104 L110 V111Y97-D107 WeakPolarHBondContact CA-OD1 3.37Å; L98-D107 WeakPolarHBondContact CB-OD1 3.46Å; L98-D107 WeakPolarHBondContact CG-OD1 3.48Å; L98-D107 PolarHBondContact N-OD1 3.37Å; L103-D107 HydrophobicContact CD1-CB 3.92Å; S104-D107 WeakPolarHBondContact CA-OD2 3.24Å; S104-D107 WeakPolarHBondContact CB-OD2 3.5Å; S104-D107 PolarHBondContact N-OD2 3.41Å; S104-D107 PolarHBondContact O-N 3.38Å; S104-D107 PolarHBondContact OG-OD2 3.36Å; D107-L110 PolarHBondContact O-N 3.4Å; D107-V111 WeakPolarHBondContact O-CG2 3.46Å; D107-V111 PolarHBondContact O-N 3.33Å
108I98.9Very high98.5Very high81 Ų8145.5 Ų45.542%0.41523%0.229SC..Hα-helixtrans-60.8-49178.7-60.3171.3000111L31 L103 S104 L110 V111 E112L31-I108 HydrophobicContact CD1-CD1 4Å; L31-I108 HydrophobicContact CD2-CD1 4.48Å; L103-I108 HydrophobicContact CD1-CG1 4.19Å; S104-I108 PolarHBondContact O-N 2.94Å; I108-L110 VanDerWaalsContact C-N 3.33Å; I108-L110 PolarHBondContact O-N 2.97Å; I108-V111 PolarHBondContact O-N 3.35Å; I108-E112 PolarHBondContact O-N 3.16Å
109A98.8Very high98.4Very high18 Ų1852.5 Ų52.515%0.14926%0.261CS..Hα-helixtrans-65.2-37.5179.900000112.1T46 V49 R105 L113T46-A109 HydrophobicContact CG2-CB 4.27Å; V49-A109 HydrophobicContact CG1-CB 4.12Å; R105-A109 VanDerWaalsContact O-CB 3.27Å; R105-A109 WeakPolarHBondContact O-CB 3.37Å; R105-A109 PolarHBondContact O-N 2.87Å; A109-L113 PolarHBondContact O-N 3.13Å; A109-L113 VanDerWaalsContact O-N 3.12Å
110L98.9Very high98.3Very high8 Ų853.9 Ų53.94%0.04227%0.268CS..Hα-helixtrans-65.3-46.4176.5179.759.2000111V49 F86 L98 A106 D107 I108 E112 L113 L114 L131V49-L110 HydrophobicContact CG2-CB 4.41Å; V49-L110 HydrophobicContact CG2-CD1 4.35Å; F86-L110 HydrophobicContact CB-CD1 4.41Å; F86-L110 HydrophobicContact CB-CD2 3.9Å; F86-L110 HydrophobicContact CD1-CD1 4.4Å; F86-L110 HydrophobicContact CD1-CD2 3.94Å; F86-L110 HydrophobicContact CD2-CD1 3.62Å; F86-L110 HydrophobicContact CD2-CD2 4.44Å; F86-L110 HydrophobicContact CE2-CD1 3.92Å; F86-L110 HydrophobicContact CG-CD1 3.9Å; F86-L110 HydrophobicContact CG-CD2 3.85Å; F86-L110 HydrophobicContact CZ-CD1 4.44Å; L98-L110 HydrophobicContact CD1-CB 4.31Å; L98-L110 HydrophobicContact CD1-CD2 3.81Å; L98-L110 HydrophobicContact CD2-CD2 4.15Å; L98-L110 HydrophobicContact CG-CD2 4.41Å; A106-L110 VanDerWaalsContact O-CB 3.3Å; A106-L110 WeakPolarHBondContact O-CB 3.46Å; A106-L110 PolarHBondContact O-N 3.19Å; D107-L110 PolarHBondContact O-N 3.4Å; I108-L110 VanDerWaalsContact C-N 3.33Å; I108-L110 PolarHBondContact O-N 2.97Å; L110-E112 PolarHBondContact O-N 3.11Å; L110-L113 HydrophobicContact CD1-CD2 4.47Å; L110-L113 WeakPolarHBondContact O-CB 3.44Å; L110-L113 PolarHBondContact O-N 3.47Å; L110-L114 HydrophobicContact CD1-CD2 4.46Å; L110-L114 WeakPolarHBondContact O-CG 3.45Å; L110-L114 PolarHBondContact O-N 3.5Å; L110-L131 HydrophobicContact CD2-CD2 3.82Å
111V98.8Very high98.3Very high73 Ų7352.9 Ų52.944%0.44225%0.254SS..Hα-helixtrans-61.9-43.2178.9171.50000111.4D107 I108 L113 L114 Y115D107-V111 WeakPolarHBondContact O-CG2 3.46Å; D107-V111 PolarHBondContact O-N 3.33Å; I108-V111 PolarHBondContact O-N 3.35Å; V111-L113 VanDerWaalsContact C-N 3.32Å; V111-L113 PolarHBondContact O-N 3.47Å; V111-L114 WeakPolarHBondContact O-CB 3.39Å; V111-L114 PolarHBondContact O-N 3.06Å; V111-L114 VanDerWaalsContact O-N 3.12Å; V111-Y115 HydrophobicContact CG1-CD2 4.08Å; V111-Y115 HydrophobicContact CG1-CE2 3.82Å; V111-Y115 VanDerWaalsContact O-CD2 3.31Å; V111-Y115 WeakPolarHBondContact O-CD2 3.12Å; V111-Y115 PolarHBondContact O-N 2.91Å
112E98.7Very high98.3Very high108 Ų10853.6 Ų53.651%0.50526%0.263SS..Hα-helixtrans-53.3-50172.8178.7178.3-159.800111.3I108 L110 L114 Y115 H116I108-E112 PolarHBondContact O-N 3.16Å; L110-E112 PolarHBondContact O-N 3.11Å; E112-L114 VanDerWaalsContact C-N 3.32Å; E112-L114 PolarHBondContact O-N 3.49Å; E112-Y115 PolarHBondContact O-N 2.96Å; E112-H116 PolarHBondContact O-N 3.24Å; E112-H116 IonicContact OE1-CE1 3.92Å
113L98.7Very high98.2Very high0 Ų050.2 Ų50.20%026%0.258CS..Hα-helixtrans-60.7-37.4176.617367.5000112.8V49 L52 E53 I56 A109 L110 V111 Y115 H116 V117V49-L113 HydrophobicContact CB-CD2 4.25Å; V49-L113 HydrophobicContact CG1-CB 4.03Å; V49-L113 HydrophobicContact CG1-CD2 3.95Å; V49-L113 HydrophobicContact CG2-CD2 4.08Å; L52-L113 HydrophobicContact CB-CD1 4.32Å; L52-L113 HydrophobicContact CB-CD2 4.45Å; L52-L113 HydrophobicContact CD2-CD1 4.04Å; L52-L113 HydrophobicContact CD2-CD2 4.09Å; L52-L113 HydrophobicContact CD2-CG 4.48Å; L52-L113 HydrophobicContact CG-CD1 4.01Å; E53-L113 HydrophobicContact CB-CD1 4.46Å; E53-L113 VanDerWaalsContact OE2-CD1 3.31Å; E53-L113 WeakPolarHBondContact OE2-CD1 3.48Å; I56-L113 HydrophobicContact CD1-CD1 3.63Å; A109-L113 PolarHBondContact O-N 3.13Å; A109-L113 VanDerWaalsContact O-N 3.12Å; L110-L113 HydrophobicContact CD1-CD2 4.47Å; L110-L113 WeakPolarHBondContact O-CB 3.44Å; L110-L113 PolarHBondContact O-N 3.47Å; V111-L113 VanDerWaalsContact C-N 3.32Å; V111-L113 PolarHBondContact O-N 3.47Å; L113-Y115 VanDerWaalsContact C-N 3.31Å; L113-Y115 PolarHBondContact O-N 3.19Å; L113-H116 PolarHBondContact O-N 2.97Å; L113-V117 HydrophobicContact CD1-CG2 3.91Å; L113-V117 HydrophobicContact CG-CG2 4.3Å; L113-V117 WeakPolarHBondContact O-CB 3.38Å; L113-V117 WeakPolarHBondContact O-CG2 3.49Å; L113-V117 PolarHBondContact O-N 3.38Å
114L98.6Very high98.1Very high19 Ų1946.3 Ų46.310%0.09924%0.238CC..Hα-helixtrans-59.1-43.6176.7-65.1-177.4000111.1F83 L110 V111 E112 V117 E118 V125 L131F83-L114 HydrophobicContact CD1-CD2 4.39Å; F83-L114 HydrophobicContact CE1-CD2 3.65Å; F83-L114 HydrophobicContact CE2-CD2 3.88Å; F83-L114 HydrophobicContact CZ-CD2 3.33Å; L110-L114 HydrophobicContact CD1-CD2 4.46Å; L110-L114 WeakPolarHBondContact O-CG 3.45Å; L110-L114 PolarHBondContact O-N 3.5Å; V111-L114 WeakPolarHBondContact O-CB 3.39Å; V111-L114 PolarHBondContact O-N 3.06Å; V111-L114 VanDerWaalsContact O-N 3.12Å; E112-L114 VanDerWaalsContact C-N 3.32Å; E112-L114 PolarHBondContact O-N 3.49Å; L114-V117 PolarHBondContact O-N 3.39Å; L114-E118 VanDerWaalsContact O-CB 3.32Å; L114-E118 WeakPolarHBondContact O-CB 3.37Å; L114-E118 PolarHBondContact O-N 2.91Å; L114-V125 HydrophobicContact CD2-CG2 4.35Å; L114-L131 HydrophobicContact CD1-CB 4.39Å; L114-L131 WeakPolarHBondContact CD1-O 3.45Å; L114-L131 HydrophobicContact CD2-CB 4.48Å; L114-L131 HydrophobicContact CD2-CD1 4.39Å
115Y98.5Very high98Very high165 Ų16547 Ų4765%0.64724%0.242SC*.Hα-helixtrans-63.5-47.3176.6-81.2-82000111.9V111 E112 L113 V117 E118 E119V111-Y115 HydrophobicContact CG1-CD2 4.08Å; V111-Y115 HydrophobicContact CG1-CE2 3.82Å; V111-Y115 VanDerWaalsContact O-CD2 3.31Å; V111-Y115 WeakPolarHBondContact O-CD2 3.12Å; V111-Y115 PolarHBondContact O-N 2.91Å; E112-Y115 PolarHBondContact O-N 2.96Å; L113-Y115 VanDerWaalsContact C-N 3.31Å; L113-Y115 PolarHBondContact O-N 3.19Å; Y115-V117 VanDerWaalsContact C-N 3.3Å; Y115-V117 PolarHBondContact O-N 3.03Å; Y115-E118 PolarHBondContact O-N 3.5Å; Y115-E119 PolarHBondContact O-N 3.01Å; Y115-E119 VanDerWaalsContact O-N 3.08Å
116H98.3Very high98Very high50 Ų5050 Ų5023%0.23126%0.26CS..Hα-helixtrans-62.1-38.6179.4-62.8163.5000112.7E53 I56 E112 L113E53-H116 VanDerWaalsContact CD-ND1 3.26Å; E53-H116 IonicContact OE1-CE1 2.6Å; E53-H116 PolarHBondContact OE1-CE1 2.95Å; E53-H116 IonicContact OE1-CG 2.64Å; E53-H116 IonicContact OE1-ND1 2.82Å; E53-H116 PolarHBondContact OE1-ND1 3.45Å; E53-H116 IonicContact OE2-ND1 2.71Å; E53-H116 PolarHBondContact OE2-ND1 3.26Å; E53-H116 VanDerWaalsContact OE2-ND1 3.1Å; I56-H116 HydrophobicContact CD1-CB 4.46Å; I56-H116 HydrophobicContact CG2-CB 4.13Å; E112-H116 PolarHBondContact O-N 3.24Å; E112-H116 IonicContact OE1-CE1 3.92Å; L113-H116 PolarHBondContact O-N 2.97Å
117V97.9Very high97.9Very high3 Ų355 Ų552%0.01829%0.286CS..Hα-helixtrans-67.4-41.7175.5163.60000111.3L52 I56 T78 F83 L113 L114 Y115 E119 L120 D121 V124L52-V117 HydrophobicContact CD2-CG2 4.29Å; I56-V117 HydrophobicContact CD1-CG2 3.59Å; T78-V117 HydrophobicContact CG2-CG1 3.59Å; T78-V117 HydrophobicContact CG2-CG2 4.41Å; F83-V117 HydrophobicContact CE1-CG2 4.33Å; F83-V117 HydrophobicContact CE2-CG1 3.95Å; F83-V117 HydrophobicContact CZ-CB 3.91Å; F83-V117 HydrophobicContact CZ-CG1 3.59Å; F83-V117 HydrophobicContact CZ-CG2 4.07Å; L113-V117 HydrophobicContact CD1-CG2 3.91Å; L113-V117 HydrophobicContact CG-CG2 4.3Å; L113-V117 WeakPolarHBondContact O-CB 3.38Å; L113-V117 WeakPolarHBondContact O-CG2 3.49Å; L113-V117 PolarHBondContact O-N 3.38Å; L114-V117 PolarHBondContact O-N 3.39Å; Y115-V117 VanDerWaalsContact C-N 3.3Å; Y115-V117 PolarHBondContact O-N 3.03Å; V117-E119 VanDerWaalsContact C-N 3.26Å; V117-E119 PolarHBondContact O-N 3.32Å; V117-L120 PolarHBondContact O-N 2.99Å; V117-D121 PolarHBondContact O-N 2.92Å; V117-V124 HydrophobicContact CG1-CG1 3.43Å; V117-V124 VanDerWaalsContact CG1-CG1 3.43Å
118E97.1Very high97.9Very high64 Ų6455.2 Ų55.230%0.29929%0.287SS..Hα-helixtrans-62.5-33178.9-168.868.6-169.800111.9L114 Y115 L120 P122 G123 V125L114-E118 VanDerWaalsContact O-CB 3.32Å; L114-E118 WeakPolarHBondContact O-CB 3.37Å; L114-E118 PolarHBondContact O-N 2.91Å; Y115-E118 PolarHBondContact O-N 3.5Å; E118-L120 VanDerWaalsContact C-N 3.28Å; E118-L120 PolarHBondContact O-N 2.88Å; E118-P122 WeakPolarHBondContact O-CA 3.4Å; E118-P122 WeakPolarHBondContact O-CD 3.37Å; E118-P122 WeakPolarHBondContact O-CG 3.26Å; E118-G123 PolarHBondContact OE1-N 2.96Å; E118-G123 PolarHBondContact OE2-N 3.49Å; E118-V125 WeakPolarHBondContact OE2-CG2 3.33Å
119E97.6Very high97.8Very high154 Ų15455.4 Ų55.472%0.7229%0.293SS*.Hα-helixtrans-64.3-30.3172.6-70.2179.5172.600113.2Y115 V117Y115-E119 PolarHBondContact O-N 3.01Å; Y115-E119 VanDerWaalsContact O-N 3.08Å; V117-E119 VanDerWaalsContact C-N 3.26Å; V117-E119 PolarHBondContact O-N 3.32Å
120L96.6Very high97.8Very high38 Ų3857.9 Ų57.920%0.19930%0.303CS..Hα-helixtrans-93.8-28.4-179.3-64.8-178.6000113.6I56 Y59 L71 I74 K75 V117 E118I56-L120 HydrophobicContact CB-CD1 4.38Å; I56-L120 HydrophobicContact CG1-CD1 3.97Å; I56-L120 HydrophobicContact CG2-CD1 3.88Å; Y59-L120 HydrophobicContact CD1-CD2 3.89Å; Y59-L120 HydrophobicContact CE1-CD2 3.8Å; L71-L120 HydrophobicContact CD1-CB 4.11Å; L71-L120 HydrophobicContact CD1-CD2 4.42Å; I74-L120 HydrophobicContact CD1-CD1 4.47Å; I74-L120 HydrophobicContact CG2-CD1 4.22Å; K75-L120 WeakPolarHBondContact CE-O 3.47Å; K75-L120 PolarHBondContact NZ-O 3.41Å; V117-L120 PolarHBondContact O-N 2.99Å; E118-L120 VanDerWaalsContact C-N 3.28Å; E118-L120 PolarHBondContact O-N 2.88Å
121D96.7Very high97.8Very high17 Ų1758.1 Ų58.19%0.09131%0.305CS..SBendtrans-142.971.9-176.1-160.823.3000111.6K75 R79 V117 G123 V124K75-D121 HydrophobicContact CD-CB 4.11Å; K75-D121 HydrophobicContact CG-CB 4.05Å; K75-D121 IonicContact NZ-OD1 3.86Å; K75-D121 PolarHBondContact NZ-OD1 3.42Å; R79-D121 IonicContact CZ-OD2 3.15Å; R79-D121 IonicContact NE-OD2 2.87Å; R79-D121 PolarHBondContact NE-OD2 3.19Å; R79-D121 IonicContact NH2-OD1 3.22Å; R79-D121 PolarHBondContact NH2-OD1 3.3Å; R79-D121 IonicContact NH2-OD2 2.68Å; R79-D121 PolarHBondContact NH2-OD2 3.06Å; V117-D121 PolarHBondContact O-N 2.92Å; D121-G123 PolarHBondContact O-N 2.94Å; D121-V124 HydrophobicContact CB-CB 4.21Å; D121-V124 HydrophobicContact CB-CG1 4.17Å; D121-V124 VanDerWaalsContact O-CB 3.25Å; D121-V124 WeakPolarHBondContact O-CB 3.26Å; D121-V124 WeakPolarHBondContact O-CG1 3.4Å; D121-V124 PolarHBondContact O-N 2.91Å; D121-V124 VanDerWaalsContact O-N 3.11Å
122P97.5Very high97.8Very high100 Ų10060.5 Ų60.565%0.64931%0.309SS*.THydrogen-bonded Turntrans-54.7136.6-174.8-26.634.3000113.1E118 V124E118-P122 WeakPolarHBondContact O-CA 3.4Å; E118-P122 WeakPolarHBondContact O-CD 3.37Å; E118-P122 WeakPolarHBondContact O-CG 3.26Å; P122-V124 VanDerWaalsContact C-N 3.29Å
123G96.6Very high97.7Very high25 Ų2561.9 Ų61.926%0.25834%0.339SS..THydrogen-bonded Turntrans77.86.7-178.400000114.3E118 D121 V125 D126E118-G123 PolarHBondContact OE1-N 2.96Å; E118-G123 PolarHBondContact OE2-N 3.49Å; D121-G123 PolarHBondContact O-N 2.94Å; G123-V125 VanDerWaalsContact C-N 3.31Å; G123-V125 PolarHBondContact O-N 3.43Å; G123-D126 WeakPolarHBondContact O-CB 3.35Å; G123-D126 PolarHBondContact O-N 3.43Å
124V97.1Very high97.6Very high0 Ų065 Ų650%036%0.356CS..SBendtrans-66.1-36.8178.665.50000111.8T78 R79 F83 V117 D121 P122 D126 N127 F128T78-V124 HydrophobicContact CG2-CG2 4.12Å; R79-V124 HydrophobicContact CG-CG2 3.76Å; F83-V124 HydrophobicContact CE2-CG1 4.17Å; V117-V124 HydrophobicContact CG1-CG1 3.43Å; V117-V124 VanDerWaalsContact CG1-CG1 3.43Å; D121-V124 HydrophobicContact CB-CB 4.21Å; D121-V124 HydrophobicContact CB-CG1 4.17Å; D121-V124 VanDerWaalsContact O-CB 3.25Å; D121-V124 WeakPolarHBondContact O-CB 3.26Å; D121-V124 WeakPolarHBondContact O-CG1 3.4Å; D121-V124 PolarHBondContact O-N 2.91Å; D121-V124 VanDerWaalsContact O-N 3.11Å; P122-V124 VanDerWaalsContact C-N 3.29Å; V124-D126 PolarHBondContact O-N 3.06Å; V124-N127 PolarHBondContact O-N 2.75Å; V124-N127 PolarHBondContact O-ND2 2.81Å; V124-F128 WeakPolarHBondContact O-CD2 3.34Å
125V96.7Very high97.5Very high16 Ų1667.4 Ų67.410%0.09737%0.37CS..G310 helixtrans-65-24.2179.9-176.80000111.9F83 L114 E118 G123 N127 F128 K132F83-V125 HydrophobicContact CE2-CG2 3.97Å; L114-V125 HydrophobicContact CD2-CG2 4.35Å; E118-V125 WeakPolarHBondContact OE2-CG2 3.33Å; G123-V125 VanDerWaalsContact C-N 3.31Å; G123-V125 PolarHBondContact O-N 3.43Å; V125-N127 PolarHBondContact O-N 2.64Å; V125-F128 CarbonylContact O-C 3.52Å; V125-F128 PolarHBondContact O-N 2.95Å; V125-K132 HydrophobicContact CG1-CB 3.95Å; V125-K132 HydrophobicContact CG1-CG 4.45Å
126D97.6Very high97.5Very high94 Ų9462 Ų6250%0.50335%0.354SS..G310 helixtrans-60.7-20.8177.8-68.5-21.3000113.9G123 V124 F128 K132G123-D126 WeakPolarHBondContact O-CB 3.35Å; G123-D126 PolarHBondContact O-N 3.43Å; V124-D126 PolarHBondContact O-N 3.06Å; D126-F128 VanDerWaalsContact C-N 3.27Å; D126-K132 WeakPolarHBondContact OD1-CD 3.41Å; D126-K132 WeakPolarHBondContact OD1-CE 3.35Å; D126-K132 IonicContact OD1-NZ 2.81Å; D126-K132 PolarHBondContact OD1-NZ 3.47Å
127N97.4Very high97.5Very high104 Ų10462.7 Ų62.756%0.55636%0.361SS*.G310 helixtrans-82.1-6.3176.9-56.1-70.6000113.1V124 V125V124-N127 PolarHBondContact O-N 2.75Å; V124-N127 PolarHBondContact O-ND2 2.81Å; V125-N127 PolarHBondContact O-N 2.64Å
128F98.4Very high97.4Very high23 Ų2366.4 Ų66.410%0.10138%0.383CS..  trans-127.879.5-173.7-59.3-82.5000109.4F83 P84 E87 V124 V125 D126 L130 L131 K132F83-F128 HydrophobicContact CB-CD1 3.89Å; F83-F128 HydrophobicContact CB-CD2 3.98Å; F83-F128 HydrophobicContact CB-CE1 3.68Å; F83-F128 HydrophobicContact CB-CE2 3.76Å; F83-F128 HydrophobicContact CB-CG 4.03Å; F83-F128 HydrophobicContact CB-CZ 3.6Å; F83-F128 AromaticContact CD2-CD2 3.6Å; F83-F128 HydrophobicContact CD2-CD2 3.6Å; F83-F128 AromaticContact CD2-CE2 3.69Å; F83-F128 HydrophobicContact CD2-CE2 3.69Å; F83-F128 HydrophobicContact CD2-CG 4.24Å; F83-F128 HydrophobicContact CD2-CZ 4.4Å; F83-F128 HydrophobicContact CG-CD2 4.31Å; F83-F128 HydrophobicContact CG-CE2 4.25Å; P84-F128 HydrophobicContact CG-CE1 3.91Å; P84-F128 HydrophobicContact CG-CZ 4.29Å; E87-F128 HydrophobicContact CB-CD1 4.07Å; E87-F128 HydrophobicContact CG-CD1 4.22Å; E87-F128 WeakPolarHBondContact OE2-CB 3.04Å; V124-F128 WeakPolarHBondContact O-CD2 3.34Å; V125-F128 CarbonylContact O-C 3.52Å; V125-F128 PolarHBondContact O-N 2.95Å; D126-F128 VanDerWaalsContact C-N 3.27Å; F128-L130 VanDerWaalsContact C-N 3.28Å; F128-L130 PolarHBondContact O-N 2.68Å; F128-L131 HydrophobicContact CB-CB 3.91Å; F128-L131 HydrophobicContact CB-CD1 3.81Å; F128-L131 HydrophobicContact CB-CG 4.06Å; F128-L131 HydrophobicContact CD1-CD1 4.45Å; F128-L131 HydrophobicContact CG-CD1 4.15Å; F128-L131 PolarHBondContact O-N 2.87Å; F128-L131 VanDerWaalsContact O-N 3.13Å; F128-K132 PolarHBondContact O-N 3.27Å
129P98.4Very high97.4Very high85 Ų8566.6 Ų66.655%0.55239%0.388SS*.Hα-helixtrans-63.1-28.9-168.724.1-34.9000114.1E87 K132 A133E87-P129 VanDerWaalsContact OE1-CD 3.26Å; E87-P129 WeakPolarHBondContact OE1-CD 3.45Å; P129-K132 PolarHBondContact O-N 3.11Å; P129-A133 WeakPolarHBondContact O-CB 3.31Å; P129-A133 PolarHBondContact O-N 3.35Å; P129-A133 VanDerWaalsContact O-N 3.11Å
130L98.6Very high97.4Very high69 Ų6960.4 Ų60.436%0.36137%0.365SS..Hα-helixtrans-78.5-32.1176.6-57.4175.7000112.1E87 L90 K91 F128 K132E87-L130 WeakPolarHBondContact OE1-CB 3.2Å; E87-L130 WeakPolarHBondContact OE1-CG 3.38Å; E87-L130 PolarHBondContact OE1-N 3.22Å; E87-L130 WeakPolarHBondContact OE2-CB 3.39Å; E87-L130 PolarHBondContact OE2-N 3.06Å; L90-L130 HydrophobicContact CB-CB 3.99Å; L90-L130 HydrophobicContact CB-CD1 4.01Å; L90-L130 HydrophobicContact CD1-CB 3.94Å; L90-L130 WeakPolarHBondContact CD1-O 3.42Å; K91-L130 HydrophobicContact CB-CD1 3.61Å; K91-L130 HydrophobicContact CG-CD1 4.33Å; F128-L130 VanDerWaalsContact C-N 3.28Å; F128-L130 PolarHBondContact O-N 2.68Å; L130-K132 VanDerWaalsContact C-N 3.29Å
131L98.6Very high97.5Very high13 Ų1362.1 Ų62.17%0.06838%0.377CS..Hα-helixtrans-69.1-28.6169.4-64.8-178.4000112.8F83 F86 E87 L90 L110 L114 F128F83-L131 HydrophobicContact CB-CD1 3.73Å; F83-L131 HydrophobicContact CD1-CD1 4.25Å; F83-L131 HydrophobicContact CD2-CD1 4.14Å; F83-L131 HydrophobicContact CG-CD1 3.8Å; F86-L131 HydrophobicContact CB-CD1 4.49Å; F86-L131 HydrophobicContact CB-CD2 3.77Å; E87-L131 HydrophobicContact CB-CD1 4.5Å; E87-L131 HydrophobicContact CB-CG 4.4Å; E87-L131 WeakPolarHBondContact OE2-CG 3.25Å; E87-L131 PolarHBondContact OE2-N 3.27Å; L90-L131 HydrophobicContact CD1-CD2 3.9Å; L110-L131 HydrophobicContact CD2-CD2 3.82Å; L114-L131 HydrophobicContact CD1-CB 4.39Å; L114-L131 WeakPolarHBondContact CD1-O 3.45Å; L114-L131 HydrophobicContact CD2-CB 4.48Å; L114-L131 HydrophobicContact CD2-CD1 4.39Å; F128-L131 HydrophobicContact CB-CB 3.91Å; F128-L131 HydrophobicContact CB-CD1 3.81Å; F128-L131 HydrophobicContact CB-CG 4.06Å; F128-L131 HydrophobicContact CD1-CD1 4.45Å; F128-L131 HydrophobicContact CG-CD1 4.15Å; F128-L131 PolarHBondContact O-N 2.87Å; F128-L131 VanDerWaalsContact O-N 3.13Å
132K98.2Very high97.6Very high124 Ų12465.8 Ų65.854%0.53940%0.401SS..Hα-helixtrans-78.9-31.9178.8-174.7169.9175.2172.70113.9V125 D126 F128 P129 L130V125-K132 HydrophobicContact CG1-CB 3.95Å; V125-K132 HydrophobicContact CG1-CG 4.45Å; D126-K132 WeakPolarHBondContact OD1-CD 3.41Å; D126-K132 WeakPolarHBondContact OD1-CE 3.35Å; D126-K132 IonicContact OD1-NZ 2.81Å; D126-K132 PolarHBondContact OD1-NZ 3.47Å; F128-K132 PolarHBondContact O-N 3.27Å; P129-K132 PolarHBondContact O-N 3.11Å; L130-K132 VanDerWaalsContact C-N 3.29Å
133A95.8Very high97.6Very high137 Ų13762.7 Ų62.7100%1.13238%0.379SS*.  trans-64.30-17300000112.4P129P129-A133 WeakPolarHBondContact O-CB 3.31Å; P129-A133 PolarHBondContact O-N 3.35Å; P129-A133 VanDerWaalsContact O-N 3.11Å

Retrieved 133 of 133 residues in 979.7 ms (Link to these results)

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