A0A096MVH5_PAPAN Loading...

peptidylprolyl isomerase

May play a positive role in AHR-mediated (aromatic hydrocarbon receptor) signaling, possibly by influencing its receptivity for ligand and/or its nuclear targeting.

AlphaFold DB (A0A2K5LIP8), UniProt , Accession A0A096MVH5, Species PAPAN (Papio anubis, Olive baboon), Gene AIP, Length 330 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
1M64.6Low85.4Confident78 Ų7886.8 Ų86.838%0.38444%0.437SS..  0-54.40-149.496.9-88.100112.2D3 I4 I5 L25 T79M1-D3 PolarHBondContact O-N 3.16Å; M1-I4 HydrophobicContact CE-CD1 4.34Å; M1-I4 PolarHBondContact O-N 3.38Å; M1-I5 HydrophobicContact CG-CD1 4.16Å; M1-I5 WeakPolarHBondContact O-CG1 3.37Å; M1-I5 PolarHBondContact O-N 3.11Å; M1-L25 HydrophobicContact CE-CD2 4.35Å; M1-T79 WeakPolarHBondContact CE-O 3.46Å
2A72.4Confident86.3Confident84 Ų8480.6 Ų80.669%0.69441%0.411SS*.Hα-helixtrans-59-42.9-17800000114.1I5 A6A2-I5 PolarHBondContact O-N 3Å; A2-A6 PolarHBondContact O-N 3.18Å
3D81.8Confident87.2Confident93 Ų9374.5 Ų74.550%0.49738%0.38SS..Hα-helixtrans-63.4-42.4175.9-17617.8000112.2M1 I5 A6 R7M1-D3 PolarHBondContact O-N 3.16Å; D3-I5 PolarHBondContact O-N 2.98Å; D3-A6 PolarHBondContact O-N 3.38Å; D3-R7 WeakPolarHBondContact O-CG 3.26Å; D3-R7 PolarHBondContact O-N 3.36Å; D3-R7 IonicContact OD1-CZ 3.31Å; D3-R7 IonicContact OD1-NE 3.02Å; D3-R7 PolarHBondContact OD1-NE 2.93Å; D3-R7 IonicContact OD1-NH2 2.69Å; D3-R7 IonicContact OD2-CZ 3.55Å; D3-R7 IonicContact OD2-NE 2.93Å; D3-R7 IonicContact OD2-NH2 3.29Å; D3-R7 PolarHBondContact OD2-NH2 3.21Å
4I83.5Confident87.8Confident54 Ų5477.1 Ų77.128%0.27739%0.389SS..Hα-helixtrans-61.4-44.9176.9-61.1173000111M1 A6 R7 L8 L25 T79M1-I4 HydrophobicContact CE-CD1 4.34Å; M1-I4 PolarHBondContact O-N 3.38Å; I4-A6 VanDerWaalsContact C-N 3.32Å; I4-A6 PolarHBondContact O-N 3.18Å; I4-R7 PolarHBondContact O-N 3.29Å; I4-L8 WeakPolarHBondContact O-CG 3.43Å; I4-L8 PolarHBondContact O-N 2.95Å; I4-L25 HydrophobicContact CD1-CD2 3.81Å; I4-T79 HydrophobicContact CG2-CG2 3.48Å; I4-T79 VanDerWaalsContact CG2-CG2 3.48Å
5I86.1Confident88.4Confident44 Ų4473.3 Ų73.323%0.22637%0.369CS..Hα-helixtrans-65.7-36.9179.2-66.6170.4000111.1M1 A2 D3 R9 K15M1-I5 HydrophobicContact CG-CD1 4.16Å; M1-I5 WeakPolarHBondContact O-CG1 3.37Å; M1-I5 PolarHBondContact O-N 3.11Å; A2-I5 PolarHBondContact O-N 3Å; D3-I5 PolarHBondContact O-N 2.98Å; I5-R9 WeakPolarHBondContact O-CB 3.39Å; I5-R9 PolarHBondContact O-N 3.46Å; I5-K15 HydrophobicContact CG1-CD 4.48Å
6A87.7Confident88.8Confident41 Ų4179.3 Ų79.334%0.33939%0.386SS..Hα-helixtrans-63.6-47.7175.900000111.4A2 D3 I4 L8 R9 E10A2-A6 PolarHBondContact O-N 3.18Å; D3-A6 PolarHBondContact O-N 3.38Å; I4-A6 VanDerWaalsContact C-N 3.32Å; I4-A6 PolarHBondContact O-N 3.18Å; A6-L8 PolarHBondContact O-N 2.97Å; A6-R9 WeakPolarHBondContact O-CB 3.42Å; A6-R9 PolarHBondContact O-N 3.15Å; A6-R9 VanDerWaalsContact O-N 3.1Å; A6-E10 WeakPolarHBondContact O-CG 3.44Å; A6-E10 PolarHBondContact O-N 3.26Å
7R90.7Very high89.3Confident152 Ų15276.9 Ų76.957%0.57438%0.377SS*.Hα-helixtrans-60.8-42.4176.9-66.3176.1-163.3-162.42.6112.7D3 I4 R9 E10 D11D3-R7 WeakPolarHBondContact O-CG 3.26Å; D3-R7 PolarHBondContact O-N 3.36Å; D3-R7 IonicContact OD1-CZ 3.31Å; D3-R7 IonicContact OD1-NE 3.02Å; D3-R7 PolarHBondContact OD1-NE 2.93Å; D3-R7 IonicContact OD1-NH2 2.69Å; D3-R7 IonicContact OD2-CZ 3.55Å; D3-R7 IonicContact OD2-NE 2.93Å; D3-R7 IonicContact OD2-NH2 3.29Å; D3-R7 PolarHBondContact OD2-NH2 3.21Å; I4-R7 PolarHBondContact O-N 3.29Å; R7-R9 VanDerWaalsContact C-N 3.3Å; R7-R9 PolarHBondContact O-N 3.13Å; R7-E10 PolarHBondContact O-N 3.25Å; R7-D11 PolarHBondContact O-N 3.45Å; R7-D11 VanDerWaalsContact O-N 3.15Å
8L93.1Very high89.7Confident11 Ų1177.8 Ų77.86%0.05838%0.383CS..Hα-helixtrans-58.6-44.6173.6-74.2-177.7000111.2I4 A6 E10 D11 G12 I13 K15 T75 T79I4-L8 WeakPolarHBondContact O-CG 3.43Å; I4-L8 PolarHBondContact O-N 2.95Å; A6-L8 PolarHBondContact O-N 2.97Å; L8-E10 PolarHBondContact O-N 3.03Å; L8-D11 CarbonylContact O-C 3.47Å; L8-D11 PolarHBondContact O-N 3.16Å; L8-D11 VanDerWaalsContact O-N 3.13Å; L8-G12 PolarHBondContact O-N 3.02Å; L8-I13 CarbonylContact C-O 3.53Å; L8-I13 HydrophobicContact CB-CB 4.13Å; L8-I13 HydrophobicContact CB-CG2 4.37Å; L8-I13 WeakPolarHBondContact CB-O 3.43Å; L8-I13 HydrophobicContact CD1-CG2 4.49Å; L8-I13 HydrophobicContact CD2-CB 4.32Å; L8-I13 HydrophobicContact CD2-CD1 4.09Å; L8-I13 HydrophobicContact CD2-CG2 4.28Å; L8-I13 WeakPolarHBondContact O-CA 3.48Å; L8-I13 WeakPolarHBondContact O-CB 3.39Å; L8-I13 PolarHBondContact O-N 2.97Å; L8-I13 VanDerWaalsContact O-O 3.08Å; L8-K15 HydrophobicContact CD1-CB 4.03Å; L8-K15 HydrophobicContact CD1-CD 4.41Å; L8-T75 HydrophobicContact CD2-CG2 3.75Å; L8-T79 HydrophobicContact CD1-CG2 3.97Å
9R93.1Very high90.1Very high166 Ų16679.2 Ų79.263%0.62639%0.388SS*.Hα-helixtrans-64.7-40.4-179.3-173.5-178.6-67.4165.1-1.2112.1I5 A6 R7 D11 G12 I13I5-R9 WeakPolarHBondContact O-CB 3.39Å; I5-R9 PolarHBondContact O-N 3.46Å; A6-R9 WeakPolarHBondContact O-CB 3.42Å; A6-R9 PolarHBondContact O-N 3.15Å; A6-R9 VanDerWaalsContact O-N 3.1Å; R7-R9 VanDerWaalsContact C-N 3.3Å; R7-R9 PolarHBondContact O-N 3.13Å; R9-D11 PolarHBondContact O-N 3.18Å; R9-G12 PolarHBondContact O-N 3.38Å; R9-I13 WeakPolarHBondContact CA-O 3.16Å; R9-I13 PolarHBondContact N-O 3.41Å
10E93Very high90.3Very high164 Ų16481.5 Ų81.577%0.76640%0.398SS*.Hα-helixtrans-60.5-33.8173.9-72.4172.9-176.700112A6 R7 L8 G12A6-E10 WeakPolarHBondContact O-CG 3.44Å; A6-E10 PolarHBondContact O-N 3.26Å; R7-E10 PolarHBondContact O-N 3.25Å; L8-E10 PolarHBondContact O-N 3.03Å; E10-G12 VanDerWaalsContact C-N 3.28Å; E10-G12 PolarHBondContact O-N 3.34Å
11D93.8Very high90.5Very high68 Ų6878.4 Ų78.436%0.36439%0.388SS..THydrogen-bonded Turntrans-86.19.6175-163.226.1000113.7R7 L8 R9 K93 H94R7-D11 PolarHBondContact O-N 3.45Å; R7-D11 VanDerWaalsContact O-N 3.15Å; L8-D11 CarbonylContact O-C 3.47Å; L8-D11 PolarHBondContact O-N 3.16Å; L8-D11 VanDerWaalsContact O-N 3.13Å; R9-D11 PolarHBondContact O-N 3.18Å; D11-K93 WeakPolarHBondContact O-CE 3.49Å; D11-K93 PolarHBondContact O-NZ 3.41Å; D11-K93 IonicContact OD1-NZ 2.7Å; D11-K93 PolarHBondContact OD1-NZ 3.38Å; D11-H94 PolarHBondContact O-NE2 3.5Å; D11-H94 IonicContact OD1-CE1 3.62Å; D11-H94 IonicContact OD1-NE2 2.66Å; D11-H94 IonicContact OD2-CE1 3.11Å; D11-H94 PolarHBondContact OD2-CE1 3.05Å; D11-H94 IonicContact OD2-NE2 2.79Å; D11-H94 PolarHBondContact OD2-NE2 2.8Å
12G95.7Very high91.8Very high12 Ų1284.4 Ų84.412%0.12441%0.406CS..THydrogen-bonded Turntrans77.828.2177.100000114L8 R9 E10 D91L8-G12 PolarHBondContact O-N 3.02Å; R9-G12 PolarHBondContact O-N 3.38Å; E10-G12 VanDerWaalsContact C-N 3.28Å; E10-G12 PolarHBondContact O-N 3.34Å; G12-D91 VanDerWaalsContact CA-OD2 3.25Å; G12-D91 WeakPolarHBondContact CA-OD2 3.37Å; G12-D91 VanDerWaalsContact O-CG 3.24Å; G12-D91 PolarHBondContact O-N 3.08Å
13I97.6Very high92.7Very high1 Ų183.3 Ų83.31%0.00540%0.402CS..EExtended strand (participates in β ladder)trans-120.7117.7176.2-57.8165.8000108.9L8 R9 V72 T75 I76 F88 L89L8-I13 CarbonylContact C-O 3.53Å; L8-I13 HydrophobicContact CB-CB 4.13Å; L8-I13 HydrophobicContact CB-CG2 4.37Å; L8-I13 WeakPolarHBondContact CB-O 3.43Å; L8-I13 HydrophobicContact CD1-CG2 4.49Å; L8-I13 HydrophobicContact CD2-CB 4.32Å; L8-I13 HydrophobicContact CD2-CD1 4.09Å; L8-I13 HydrophobicContact CD2-CG2 4.28Å; L8-I13 WeakPolarHBondContact O-CA 3.48Å; L8-I13 WeakPolarHBondContact O-CB 3.39Å; L8-I13 PolarHBondContact O-N 2.97Å; L8-I13 VanDerWaalsContact O-O 3.08Å; R9-I13 WeakPolarHBondContact CA-O 3.16Å; R9-I13 PolarHBondContact N-O 3.41Å; I13-V72 HydrophobicContact CD1-CG2 3.69Å; I13-V72 HydrophobicContact CG1-CG2 4.31Å; I13-T75 HydrophobicContact CD1-CG2 4.34Å; I13-I76 HydrophobicContact CG2-CG2 3.84Å; I13-F88 HydrophobicContact CG2-CD1 4.46Å; I13-L89 CarbonylContact C-O 3.47Å; I13-L89 WeakPolarHBondContact CA-O 3.34Å
14Q96.6Very high93.2Very high111 Ų11187.1 Ų87.152%0.51942%0.417SS..EExtended strand (participates in β ladder)trans-102.7109.9177.5-54.3-177.517.400110.1F88 L89Q14-F88 WeakPolarHBondContact O-CA 3.31Å; Q14-L89 HydrophobicContact CB-CB 4.25Å; Q14-L89 PolarHBondContact N-O 3.48Å; Q14-L89 PolarHBondContact O-N 2.98Å
15K96.3Very high93.6Very high20 Ų2087.1 Ų87.19%0.08742%0.417CS..EExtended strand (participates in β ladder)trans-89.2131.6173-178.2178.7-171.8171.50111I5 L8 T79 E84 Q87 F88I5-K15 HydrophobicContact CG1-CD 4.48Å; L8-K15 HydrophobicContact CD1-CB 4.03Å; L8-K15 HydrophobicContact CD1-CD 4.41Å; K15-T79 PolarHBondContact NZ-O 2.69Å; K15-T79 PolarHBondContact NZ-OG1 3.24Å; K15-E84 WeakPolarHBondContact CE-OE1 3.3Å; K15-E84 IonicContact NZ-OE1 3.65Å; K15-E84 PolarHBondContact NZ-OE1 2.95Å; K15-E84 IonicContact NZ-OE2 2.99Å; K15-Q87 CarbonylContact C-O 3.59Å; K15-Q87 WeakPolarHBondContact CA-O 3.47Å; K15-F88 HydrophobicContact CB-CD1 3.87Å; K15-F88 HydrophobicContact CB-CE1 3.85Å; K15-F88 HydrophobicContact CD-CD1 4.44Å; K15-F88 HydrophobicContact CD-CE1 3.57Å; K15-F88 HydrophobicContact CD-CZ 4.11Å; K15-F88 HydrophobicContact CG-CD1 3.91Å; K15-F88 HydrophobicContact CG-CE1 3.45Å; K15-F88 VanDerWaalsContact CG-CE1 3.45Å; K15-F88 HydrophobicContact CG-CZ 4.13Å
16R95.6Very high93.8Very high169 Ų16986.8 Ų86.864%0.63842%0.418SS*.EExtended strand (participates in β ladder)trans-126.1115.8167.1-179-178.9179-174.70.8109.3A86 Q87R16-A86 WeakPolarHBondContact O-CA 3.47Å; R16-Q87 PolarHBondContact N-O 2.95Å; R16-Q87 PolarHBondContact O-N 3.46Å
17V96.3Very high93.8Very high39 Ų3990.7 Ų90.724%0.23643%0.434CS..EExtended strand (participates in β ladder)trans-75.2127.7172.2-1780000108.4Q19 E20 E84V17-Q19 WeakPolarHBondContact CG1-O 3.38Å; V17-E20 HydrophobicContact CG1-CG 4.47Å; V17-E84 HydrophobicContact CG1-CG 4.27Å
18I96.8Very high93.8Very high94 Ų9484.3 Ų84.348%0.48241%0.41SS..EExtended strand (participates in β ladder)trans-96.8-41.8176.5-64.2167.3000109.2I85 Q87 H151I18-I85 WeakPolarHBondContact CA-O 3.47Å; I18-I85 HydrophobicContact CB-CB 4.41Å; I18-I85 HydrophobicContact CB-CG2 4.14Å; I18-I85 WeakPolarHBondContact CB-O 3.43Å; I18-I85 HydrophobicContact CD1-CG2 4.36Å; I18-I85 HydrophobicContact CG2-CG2 4.42Å; I18-I85 PolarHBondContact N-O 2.91Å; I18-Q87 HydrophobicContact CD1-CB 4.01Å; I18-H151 VanDerWaalsContact CD1-NE2 3.31Å; I18-H151 WeakPolarHBondContact CD1-NE2 3.41Å
19Q96.8Very high93.6Very high103 Ų10388.4 Ų88.448%0.48143%0.429SS..EExtended strand (participates in β ladder)trans-136.8129.4174.2-172.7-177.2-73.400109.2V17 G83 E84 I85V17-Q19 WeakPolarHBondContact CG1-O 3.38Å; Q19-G83 PolarHBondContact NE2-O 3.12Å; Q19-E84 WeakPolarHBondContact O-CA 3.4Å; Q19-E84 WeakPolarHBondContact O-CG 3.47Å; Q19-I85 HydrophobicContact CB-CB 3.85Å; Q19-I85 HydrophobicContact CB-CD1 4.11Å; Q19-I85 HydrophobicContact CB-CG1 4.01Å; Q19-I85 PolarHBondContact N-O 3.43Å; Q19-I85 PolarHBondContact O-N 3.47Å
20E95.5Very high93.3Very high126 Ų12685 Ų8559%0.58942%0.423SS*.  trans-64.6138.3174.7-67.4-65.9153.700110.9V17V17-E20 HydrophobicContact CG1-CG 4.47Å
21G93.4Very high92.8Very high17 Ų1777.2 Ų77.218%0.17539%0.387CS..  trans-80.3-174.2171.600000112.9E82G21-E82 CarbonylContact C-O 3.59Å; G21-E82 VanDerWaalsContact CA-O 3.3Å; G21-E82 WeakPolarHBondContact CA-O 3.47Å
22R92.3Very high92.7Very high204 Ų20474 Ų7477%0.7737%0.37SS*.BIsolated β-bridgetrans-111.4157.7-176.7-56.1177.7-173.4-176.42.5110.7E82R22-E82 PolarHBondContact N-O 3.12Å
23G91.4Very high92.5Very high60 Ų6074.4 Ų74.462%0.61937%0.368SS*.SBendtrans68.4-167.4177.300000113.1R81G23-R81 WeakPolarHBondContact O-CD 3.5Å; G23-R81 PolarHBondContact O-NH1 3.49Å
24E91.3Very high92.4Very high174 Ų17474.4 Ų74.481%0.81337%0.368SS*.SBendtrans-82.9164.2173.8-62.9-168.3158.900111.4P26E24-P26 WeakPolarHBondContact O-CD 3.5Å
25L91.9Very high92.4Very high53 Ų5369.8 Ų69.828%0.27735%0.347SS..PPolyproline II helixtrans-68.1123.9172.8-17769.2000108.3M1 I4 F28 M80 R81M1-L25 HydrophobicContact CE-CD2 4.35Å; I4-L25 HydrophobicContact CD1-CD2 3.81Å; L25-F28 HydrophobicContact CD1-CE2 4.05Å; L25-M80 WeakPolarHBondContact CD1-O 3.41Å; L25-R81 HydrophobicContact CD1-CG 4.25Å
26P90.8Very high92.5Very high38 Ų3868.8 Ų68.825%0.24734%0.343CS..PPolyproline II helixtrans-57.9153174.8-23.734.5000111.5E24 F28 V157E24-P26 WeakPolarHBondContact O-CD 3.5Å; P26-F28 HydrophobicContact CB-CD2 3.95Å; P26-F28 HydrophobicContact CB-CE2 3.8Å; P26-F28 HydrophobicContact CB-CG 4.38Å; P26-F28 HydrophobicContact CB-CZ 4.12Å; P26-F28 HydrophobicContact CG-CE2 3.99Å; P26-F28 HydrophobicContact CG-CZ 4.05Å; P26-F28 WeakPolarHBondContact O-CD2 3.39Å; P26-F28 PolarHBondContact O-N 2.89Å; P26-V157 HydrophobicContact CB-CG1 3.95Å; P26-V157 HydrophobicContact CG-CB 4.1Å; P26-V157 HydrophobicContact CG-CG1 3.91Å; P26-V157 HydrophobicContact CG-CG2 4.16Å
27D89Confident92.6Very high123 Ų12362.2 Ų62.266%0.65832%0.32SS*.  trans-72.8-16.3177.159.810.4000113.2Q29D27-Q29 PolarHBondContact O-N 3.18Å; D27-Q29 PolarHBondContact OD1-N 3.36Å
28F89.7Confident92.6Very high17 Ų1760.6 Ų60.68%0.07531%0.309CS..  trans46.745.6-178.6-68.1-81.1000112.9L25 P26 T32 A34 I64 V77 C78 M80 M154 V157L25-F28 HydrophobicContact CD1-CE2 4.05Å; P26-F28 HydrophobicContact CB-CD2 3.95Å; P26-F28 HydrophobicContact CB-CE2 3.8Å; P26-F28 HydrophobicContact CB-CG 4.38Å; P26-F28 HydrophobicContact CB-CZ 4.12Å; P26-F28 HydrophobicContact CG-CE2 3.99Å; P26-F28 HydrophobicContact CG-CZ 4.05Å; P26-F28 WeakPolarHBondContact O-CD2 3.39Å; P26-F28 PolarHBondContact O-N 2.89Å; F28-T32 HydrophobicContact CD1-CG2 3.98Å; F28-A34 HydrophobicContact CE1-CB 4.48Å; F28-I64 HydrophobicContact CD1-CD1 4.5Å; F28-I64 HydrophobicContact CD1-CG1 4.01Å; F28-V77 HydrophobicContact CE1-CG1 4.37Å; F28-V77 WeakPolarHBondContact CZ-O 3.27Å; F28-C78 HydrophobicContact CB-CB 4.21Å; F28-C78 VanDerWaalsContact CB-SG 3.59Å; F28-C78 HydrophobicContact CD2-CB 4Å; F28-C78 WeakPolarHBondContact CD2-O 3.32Å; F28-C78 WeakPolarHBondContact CE2-O 3.49Å; F28-C78 HydrophobicContact CG-CB 4.03Å; F28-M80 WeakPolarHBondContact CZ-O 3.3Å; F28-M154 HydrophobicContact CZ-CE 4.43Å; F28-V157 HydrophobicContact CD1-CG1 4.4Å; F28-V157 HydrophobicContact CE1-CG1 3.93Å; F28-V157 HydrophobicContact CE1-CG2 4.14Å; F28-V157 HydrophobicContact CZ-CG1 4.45Å; F28-V157 HydrophobicContact CZ-CG2 4.19Å
29Q89.1Confident92.6Very high97 Ų9760.6 Ų60.645%0.45330%0.303SS..  trans-59159.2173.563.6177.815.100112.3D27 G31 T32 P160D27-Q29 PolarHBondContact O-N 3.18Å; D27-Q29 PolarHBondContact OD1-N 3.36Å; Q29-G31 PolarHBondContact O-N 3.1Å; Q29-T32 PolarHBondContact N-OG1 3.26Å; Q29-T32 VanDerWaalsContact O-CB 3.24Å; Q29-T32 WeakPolarHBondContact O-CB 3.34Å; Q29-T32 PolarHBondContact O-N 3.19Å; Q29-T32 PolarHBondContact O-OG1 3.49Å; Q29-P160 HydrophobicContact CG-CG 3.86Å
30D85.8Confident92.6Very high95 Ų9555.7 Ų55.751%0.50828%0.28SS..THydrogen-bonded Turntrans-51.6131178.9-176.446.5000111.4G65 P160D30-G65 VanDerWaalsContact OD1-CA 3.27Å; D30-G65 WeakPolarHBondContact OD1-CA 3.49Å; D30-P160 WeakPolarHBondContact O-CG 3.38Å
31G83.8Confident92.5Very high0 Ų050.9 Ų50.90%026%0.258CS..THydrogen-bonded Turntrans83.95.4-174.600000115.5Q29 I64 Y163Q29-G31 PolarHBondContact O-N 3.1Å; G31-I64 PolarHBondContact N-O 3.22Å; G31-Y163 WeakPolarHBondContact O-CE1 3.3Å; G31-Y163 PolarHBondContact O-OH 2.93Å
32T90.4Very high92.5Very high2 Ų251.1 Ų51.11%0.01226%0.255CS..  trans-67.1133.1172-62.60000109.6F28 Q29 I63 I64 V157F28-T32 HydrophobicContact CD1-CG2 3.98Å; Q29-T32 PolarHBondContact N-OG1 3.26Å; Q29-T32 VanDerWaalsContact O-CB 3.24Å; Q29-T32 WeakPolarHBondContact O-CB 3.34Å; Q29-T32 PolarHBondContact O-N 3.19Å; Q29-T32 PolarHBondContact O-OG1 3.49Å; T32-I63 CarbonylContact O-C 3.58Å; T32-I63 WeakPolarHBondContact O-CA 3.46Å; T32-I64 WeakPolarHBondContact O-CG1 3.17Å; T32-I64 PolarHBondContact O-N 3.13Å; T32-V157 HydrophobicContact CG2-CG1 3.52Å
33K93.1Very high92.2Very high20 Ų2043.5 Ų43.59%0.08723%0.233CC..EExtended strand (participates in β ladder)trans-97.6124173.5-173.7177.664.2153.90110.7E61 L62 I63 V157 E158 Y163K33-E61 HydrophobicContact CD-CB 4.34Å; K33-E61 HydrophobicContact CD-CG 4.45Å; K33-E61 IonicContact NZ-OE1 3Å; K33-E61 PolarHBondContact NZ-OE1 2.88Å; K33-L62 WeakPolarHBondContact CA-O 3.43Å; K33-I63 HydrophobicContact CB-CG1 4.5Å; K33-I63 HydrophobicContact CG-CG1 4.41Å; K33-V157 WeakPolarHBondContact O-CA 3.43Å; K33-E158 HydrophobicContact CB-CB 4.45Å; K33-E158 WeakPolarHBondContact CE-OE2 3.22Å; K33-E158 PolarHBondContact N-O 3.42Å; K33-E158 IonicContact NZ-OE2 2.68Å; K33-E158 PolarHBondContact NZ-OE2 3.47Å; K33-E158 PolarHBondContact O-N 2.99Å; K33-Y163 HydrophobicContact CB-CD1 3.93Å; K33-Y163 HydrophobicContact CB-CD2 4.15Å; K33-Y163 HydrophobicContact CB-CE1 3.55Å; K33-Y163 HydrophobicContact CB-CE2 3.74Å; K33-Y163 HydrophobicContact CB-CG 4.22Å; K33-Y163 VanDerWaalsContact CB-CZ 3.45Å; K33-Y163 HydrophobicContact CD-CD2 3.66Å; K33-Y163 HydrophobicContact CD-CE2 3.69Å; K33-Y163 HydrophobicContact CD-CG 4.21Å; K33-Y163 HydrophobicContact CG-CE2 4.21Å
34A95.5Very high91.6Very high0 Ų043.7 Ų43.70%022%0.22CC..EExtended strand (participates in β ladder)trans-104.8125.5169.300000109.7F28 F36 E61 L62 V77 M154F28-A34 HydrophobicContact CE1-CB 4.48Å; A34-F36 HydrophobicContact CB-CD1 4.3Å; A34-E61 WeakPolarHBondContact O-CA 2.99Å; A34-L62 PolarHBondContact N-O 2.91Å; A34-L62 PolarHBondContact O-N 3.19Å; A34-V77 HydrophobicContact CB-CG1 3.46Å; A34-V77 VanDerWaalsContact CB-CG1 3.46Å; A34-M154 HydrophobicContact CB-CE 4.1Å; A34-M154 HydrophobicContact CB-SD 4.14Å
35T96.2Very high90.3Very high14 Ų1443.9 Ų43.99%0.08623%0.226CC..EExtended strand (participates in β ladder)trans-108.9121.8173.8-54.80000108.7P59 M60 E61 L155 K156T35-P59 HydrophobicContact CG2-CB 3.87Å; T35-P59 HydrophobicContact CG2-CG 3.79Å; T35-M60 CarbonylContact C-O 3.07Å; T35-M60 VanDerWaalsContact CA-O 3.32Å; T35-M60 WeakPolarHBondContact CA-O 3.35Å; T35-E61 HydrophobicContact CG2-CG 4.21Å; T35-L155 HydrophobicContact CG2-CD1 4.38Å; T35-L155 WeakPolarHBondContact O-CA 3.41Å; T35-L155 VanDerWaalsContact O-CB 3.32Å; T35-L155 WeakPolarHBondContact O-CB 3.19Å; T35-L155 PolarHBondContact O-N 3.24Å; T35-K156 PolarHBondContact N-O 3.47Å; T35-K156 PolarHBondContact O-N 2.97Å; T35-K156 VanDerWaalsContact O-N 3.09Å
36F97.4Very high89.2Confident0 Ų049.4 Ų49.40%025%0.251CS..EExtended strand (participates in β ladder)trans-149.1152.6-174.460.1-87.6000112.6A34 Y38 M60 L62 W73 V77 M152 E153 M154A34-F36 HydrophobicContact CB-CD1 4.3Å; F36-Y38 HydrophobicContact CE2-CD1 4.3Å; F36-M60 HydrophobicContact CD2-CB 4.23Å; F36-M60 HydrophobicContact CE1-CB 4.33Å; F36-M60 HydrophobicContact CE1-CG 4.04Å; F36-M60 HydrophobicContact CE2-CB 3.9Å; F36-M60 HydrophobicContact CE2-CG 3.97Å; F36-M60 HydrophobicContact CZ-CB 3.96Å; F36-M60 HydrophobicContact CZ-CG 3.58Å; F36-M60 PolarHBondContact N-O 3.35Å; F36-M60 PolarHBondContact O-N 3.32Å; F36-L62 HydrophobicContact CE1-CB 3.72Å; F36-L62 HydrophobicContact CE1-CD2 4.28Å; F36-L62 HydrophobicContact CZ-CB 4.34Å; F36-L62 HydrophobicContact CZ-CD2 4.48Å; F36-W73 HydrophobicContact CE2-CE3 4.42Å; F36-W73 HydrophobicContact CE2-CZ3 4.45Å; F36-W73 HydrophobicContact CZ-CE3 4.08Å; F36-W73 HydrophobicContact CZ-CZ3 4.37Å; F36-V77 HydrophobicContact CD1-CG2 4.24Å; F36-V77 HydrophobicContact CE1-CG1 4.42Å; F36-V77 HydrophobicContact CE1-CG2 3.77Å; F36-V77 HydrophobicContact CE2-CG2 4.44Å; F36-V77 HydrophobicContact CZ-CG2 3.88Å; F36-M152 HydrophobicContact CD2-CG 4.39Å; F36-M152 HydrophobicContact CD2-SD 4.28Å; F36-M152 HydrophobicContact CE2-CE 3.88Å; F36-M152 HydrophobicContact CE2-SD 4.11Å; F36-E153 CarbonylContact C-O 3.51Å; F36-E153 WeakPolarHBondContact CA-O 3.48Å; F36-E153 WeakPolarHBondContact CB-O 3.36Å; F36-M154 HydrophobicContact CB-SD 4.29Å
37H97.7Very high88.5Confident31 Ų3148.8 Ų48.814%0.14425%0.251CS..EExtended strand (participates in β ladder)trans-88.7138.8163.4-80.6-57.9000109.9S53 R54 M152 E153H37-S53 VanDerWaalsContact CA-OG 3.3Å; H37-S53 WeakPolarHBondContact CA-OG 3.3Å; H37-S53 WeakPolarHBondContact CB-OG 3.41Å; H37-S53 PolarHBondContact ND1-OG 2.97Å; H37-R54 HydrophobicContact CB-CG 4.29Å; H37-M152 CarbonylContact O-C 3.57Å; H37-M152 VanDerWaalsContact O-CA 3.27Å; H37-M152 WeakPolarHBondContact O-CA 3.38Å; H37-E153 HydrophobicContact CB-CB 4.39Å; H37-E153 IonicContact CD2-OE2 3.54Å; H37-E153 PolarHBondContact N-O 3.41Å; H37-E153 PolarHBondContact O-N 3.46Å
38Y96.7Very high88.5Confident5 Ų546 Ų462%0.0224%0.238CC..EExtended strand (participates in β ladder)trans-124.7153.6170.174.6-84.2000111.7F36 D51 S53 R56 M60 W73 L105 H151F36-Y38 HydrophobicContact CE2-CD1 4.3Å; Y38-D51 HydrophobicContact CE2-CB 3.96Å; Y38-S53 PolarHBondContact N-OG 3.24Å; Y38-S53 PolarHBondContact O-N 3.25Å; Y38-S53 PolarHBondContact O-OG 3Å; Y38-R56 PolarHBondContact OH-NH1 3.22Å; Y38-M60 HydrophobicContact CD1-CB 3.89Å; Y38-M60 HydrophobicContact CE1-CB 4.02Å; Y38-W73 AromaticContact CD1-CH2 3.85Å; Y38-W73 HydrophobicContact CD1-CH2 3.85Å; Y38-W73 HydrophobicContact CD1-CZ3 4.34Å; Y38-W73 AromaticContact CD2-CH2 3.82Å; Y38-W73 HydrophobicContact CD2-CH2 3.82Å; Y38-W73 AromaticContact CD2-CZ2 3.93Å; Y38-W73 HydrophobicContact CD2-CZ2 3.93Å; Y38-W73 AromaticContact CE1-CH2 3.77Å; Y38-W73 HydrophobicContact CE1-CH2 3.77Å; Y38-W73 HydrophobicContact CE1-CZ3 4.3Å; Y38-W73 AromaticContact CE2-CH2 3.75Å; Y38-W73 HydrophobicContact CE2-CH2 3.75Å; Y38-W73 HydrophobicContact CE2-CZ2 4.12Å; Y38-W73 AromaticContact CG-CH2 3.87Å; Y38-W73 HydrophobicContact CG-CH2 3.87Å; Y38-W73 HydrophobicContact CG-CZ2 4.21Å; Y38-W73 AromaticContact CZ-CH2 3.73Å; Y38-L105 WeakPolarHBondContact OH-CD1 3.46Å; Y38-H151 CarbonylContact C-O 3.59Å; Y38-H151 VanDerWaalsContact CA-O 3.27Å; Y38-H151 WeakPolarHBondContact CA-O 3.22Å
39R96.5Very high88.6Confident94 Ų9447.9 Ų47.936%0.35525%0.251SS..EExtended strand (participates in β ladder)trans-132.6123.5163.4-177.5179.5178.9-170.6-2107.9L41 V49 D51 D52 H151R39-L41 HydrophobicContact CG-CD1 4.2Å; R39-L41 HydrophobicContact CG-CG 4.3Å; R39-V49 HydrophobicContact CG-CG1 3.95Å; R39-D51 CarbonylContact C-O 3.51Å; R39-D51 VanDerWaalsContact CA-O 3.3Å; R39-D51 WeakPolarHBondContact CA-O 3.35Å; R39-D52 HydrophobicContact CG-CB 4.23Å; R39-H151 HydrophobicContact CB-CB 4.36Å; R39-H151 PolarHBondContact N-O 3Å; R39-H151 PolarHBondContact O-N 3.21Å
40T96.6Very high88.8Confident0 Ų043.8 Ų43.80%023%0.233CC..EExtended strand (participates in β ladder)trans-100.6132.3177.4-51.40000109.5L50 D51 Y98 L148 V149 F150T40-L50 HydrophobicContact CG2-CB 4.46Å; T40-L50 HydrophobicContact CG2-CD1 4.27Å; T40-L50 PolarHBondContact O-N 3.39Å; T40-D51 PolarHBondContact N-O 3.37Å; T40-D51 PolarHBondContact O-N 3.19Å; T40-Y98 WeakPolarHBondContact CB-OH 3.27Å; T40-Y98 HydrophobicContact CG2-CE1 3.85Å; T40-Y98 HydrophobicContact CG2-CE2 3.83Å; T40-Y98 VanDerWaalsContact CG2-CZ 3.47Å; T40-Y98 WeakPolarHBondContact OG1-CE2 3.22Å; T40-Y98 PolarHBondContact OG1-OH 2.92Å; T40-L148 HydrophobicContact CG2-CB 4.28Å; T40-L148 HydrophobicContact CG2-CD1 4.01Å; T40-V149 WeakPolarHBondContact CA-O 3.49Å; T40-F150 HydrophobicContact CG2-CD1 3.77Å; T40-F150 HydrophobicContact CG2-CE1 3.51Å; T40-F150 WeakPolarHBondContact OG1-CD1 3.43Å
41L95.2Very high89.2Confident24 Ų2439.5 Ų39.513%0.12621%0.21CC..EExtended strand (participates in β ladder)trans-128.8153.8179.8-44.194.4000110.5R39 G47 T48 V49 V149 H151R39-L41 HydrophobicContact CG-CD1 4.2Å; R39-L41 HydrophobicContact CG-CG 4.3Å; L41-G47 VanDerWaalsContact CD2-O 3.31Å; L41-G47 WeakPolarHBondContact CD2-O 3.03Å; L41-T48 CarbonylContact C-O 3.51Å; L41-T48 VanDerWaalsContact CA-O 3.25Å; L41-T48 WeakPolarHBondContact CA-O 3.46Å; L41-V49 HydrophobicContact CD2-CG2 4.29Å; L41-V149 HydrophobicContact CB-CB 4.36Å; L41-V149 HydrophobicContact CD1-CB 4.33Å; L41-V149 HydrophobicContact CD1-CG1 4.18Å; L41-V149 PolarHBondContact N-O 2.99Å; L41-V149 PolarHBondContact O-N 3.35Å; L41-H151 HydrophobicContact CD1-CB 4.33Å
42H91.9Very high89.7Confident22 Ų2240.9 Ų40.910%0.10222%0.217CC..EExtended strand (participates in β ladder)trans-60.1151.6161.3-73.2-80.8000110.7T48 L50 Q146H42-T48 PolarHBondContact N-O 3.48Å; H42-L50 VanDerWaalsContact NE2-CD2 3.29Å; H42-L50 WeakPolarHBondContact NE2-CD2 3.45Å; H42-Q146 PolarHBondContact CE1-NE2 3.1Å; H42-Q146 PolarHBondContact ND1-NE2 3.25Å; H42-Q146 PolarHBondContact ND1-OE1 3.16Å; H42-Q146 VanDerWaalsContact ND1-OE1 3.16Å
43S85.9Confident89.9Confident44 Ų4440.9 Ų40.931%0.30822%0.217SC..SBendtrans-84.11174.756.50000113.5P147S43-P147 WeakPolarHBondContact CB-O 3.38Å; S43-P147 PolarHBondContact N-O 3.07Å; S43-P147 WeakPolarHBondContact OG-CB 3.44Å; S43-P147 PolarHBondContact OG-O 3.13Å
44D79.9Confident89.9Confident65 Ų6544.8 Ų44.835%0.34823%0.231SC..SBendtrans-66165.6175.360.822.5000112.4E46 G47D44-E46 PolarHBondContact O-N 3.3Å; D44-E46 VanDerWaalsContact O-N 3.11Å; D44-E46 PolarHBondContact OD1-N 3.28Å; D44-G47 PolarHBondContact O-N 2.89Å; D44-G47 PolarHBondContact OD1-N 2.87Å
45N62.6Low89.6Confident178 Ų17850.8 Ų50.895%0.95227%0.268SS*.THydrogen-bonded Turntrans-64-16.1-178.3-72.9-20.6000113.4
46E68.9Low88.8Confident169 Ų16953.6 Ų53.679%0.7928%0.277SS*.THydrogen-bonded Turntrans-88-22.1-179.4-61.7-168.516500112.1D44 T48D44-E46 PolarHBondContact O-N 3.3Å; D44-E46 VanDerWaalsContact O-N 3.11Å; D44-E46 PolarHBondContact OD1-N 3.28Å; E46-T48 VanDerWaalsContact C-N 3.32Å; E46-T48 PolarHBondContact O-N 3.46Å
47G76.5Confident88Confident25 Ų2556.5 Ų56.526%0.25831%0.307SS..  trans62.340.9177.900000111.8L41 D44 V49L41-G47 VanDerWaalsContact CD2-O 3.31Å; L41-G47 WeakPolarHBondContact CD2-O 3.03Å; D44-G47 PolarHBondContact O-N 2.89Å; D44-G47 PolarHBondContact OD1-N 2.87Å; G47-V49 PolarHBondContact O-N 3.18Å
48T88.4Confident87.4Confident63 Ų6362.8 Ų62.839%0.38733%0.334SS..  trans-59.9130.2-176.8-650000110.7L41 H42 E46L41-T48 CarbonylContact C-O 3.51Å; L41-T48 VanDerWaalsContact CA-O 3.25Å; L41-T48 WeakPolarHBondContact CA-O 3.46Å; H42-T48 PolarHBondContact N-O 3.48Å; E46-T48 VanDerWaalsContact C-N 3.32Å; E46-T48 PolarHBondContact O-N 3.46Å
49V93.1Very high87.3Confident57 Ų5765.1 Ų65.135%0.34535%0.349SS..EExtended strand (participates in β ladder)trans-80.7125.5-177.8-171.80000110.3R39 L41 G47 D52R39-V49 HydrophobicContact CG-CG1 3.95Å; L41-V49 HydrophobicContact CD2-CG2 4.29Å; G47-V49 PolarHBondContact O-N 3.18Å; V49-D52 HydrophobicContact CG1-CB 4.41Å
50L92.8Very high87.1Confident11 Ų1161.8 Ų61.86%0.05834%0.338CS..EExtended strand (participates in β ladder)trans-90.5-48.4172.7-75.1170.2000111.7T40 H42 Y98 R106 D137 L141 L148T40-L50 HydrophobicContact CG2-CB 4.46Å; T40-L50 HydrophobicContact CG2-CD1 4.27Å; T40-L50 PolarHBondContact O-N 3.39Å; H42-L50 VanDerWaalsContact NE2-CD2 3.29Å; H42-L50 WeakPolarHBondContact NE2-CD2 3.45Å; L50-Y98 HydrophobicContact CB-CE1 4.38Å; L50-Y98 HydrophobicContact CD1-CE1 4.11Å; L50-R106 PolarHBondContact O-NH2 2.86Å; L50-D137 HydrophobicContact CD2-CB 4.17Å; L50-L141 HydrophobicContact CD1-CD2 3.77Å; L50-L148 HydrophobicContact CD1-CD2 3.76Å
51D94Very high86.9Confident5 Ų566.9 Ų66.93%0.02736%0.362CS..EExtended strand (participates in β ladder)trans-147.5144.1-177.5-60.6-86.4000110.4Y38 R39 T40 R56 Y98 A102 R106Y38-D51 HydrophobicContact CE2-CB 3.96Å; R39-D51 CarbonylContact C-O 3.51Å; R39-D51 VanDerWaalsContact CA-O 3.3Å; R39-D51 WeakPolarHBondContact CA-O 3.35Å; T40-D51 PolarHBondContact N-O 3.37Å; T40-D51 PolarHBondContact O-N 3.19Å; D51-R56 IonicContact OD1-CZ 2.89Å; D51-R56 IonicContact OD1-NH1 3.86Å; D51-R56 IonicContact OD1-NH2 3.8Å; D51-R56 PolarHBondContact OD1-NH2 2.87Å; D51-Y98 WeakPolarHBondContact CB-OH 3.38Å; D51-Y98 VanDerWaalsContact CG-OH 3.28Å; D51-Y98 WeakPolarHBondContact OD2-CE1 3.48Å; D51-Y98 PolarHBondContact OD2-OH 3.48Å; D51-A102 WeakPolarHBondContact OD2-CB 3.31Å; D51-R106 IonicContact OD1-CZ 3.9Å; D51-R106 IonicContact OD1-NE 3.68Å; D51-R106 PolarHBondContact OD1-NE 2.93Å; D51-R106 IonicContact OD1-NH2 3.95Å; D51-R106 PolarHBondContact OD1-NH2 2.99Å; D51-R106 IonicContact OD2-NH2 3.39Å
52D94.9Very high86.7Confident30 Ų3066 Ų6616%0.1636%0.357CS..EExtended strand (participates in β ladder)trans-139.8118174.9-168-29.2000110.1R39 V49 R54 V55 R56R39-D52 HydrophobicContact CG-CB 4.23Å; V49-D52 HydrophobicContact CG1-CB 4.41Å; D52-R54 VanDerWaalsContact C-N 3.26Å; D52-R54 PolarHBondContact O-N 3.42Å; D52-R54 WeakPolarHBondContact OD1-CB 3.48Å; D52-R54 PolarHBondContact OD1-N 3.12Å; D52-V55 HydrophobicContact CB-CB 4.24Å; D52-V55 HydrophobicContact CB-CG2 3.84Å; D52-V55 PolarHBondContact O-N 3.23Å; D52-R56 PolarHBondContact O-N 2.69Å
53S94.3Very high86.7Confident2 Ų266.4 Ų66.41%0.01436%0.36CS..THydrogen-bonded Turntrans-63.1-27.9177.859.90000113.6H37 Y38 R56 G57H37-S53 VanDerWaalsContact CA-OG 3.3Å; H37-S53 WeakPolarHBondContact CA-OG 3.3Å; H37-S53 WeakPolarHBondContact CB-OG 3.41Å; H37-S53 PolarHBondContact ND1-OG 2.97Å; Y38-S53 PolarHBondContact N-OG 3.24Å; Y38-S53 PolarHBondContact O-N 3.25Å; Y38-S53 PolarHBondContact O-OG 3Å; S53-R56 WeakPolarHBondContact O-CB 3.4Å; S53-R56 PolarHBondContact O-N 3.23Å; S53-G57 PolarHBondContact O-N 3.49Å
54R92.2Very high86.9Confident101 Ų10164.9 Ų64.938%0.38135%0.348SS..THydrogen-bonded Turntrans-72.2-37.9178.2-66.7-176.9-174.578-4.3111.6H37 D52 R56 G57 E153H37-R54 HydrophobicContact CB-CG 4.29Å; D52-R54 VanDerWaalsContact C-N 3.26Å; D52-R54 PolarHBondContact O-N 3.42Å; D52-R54 WeakPolarHBondContact OD1-CB 3.48Å; D52-R54 PolarHBondContact OD1-N 3.12Å; R54-R56 PolarHBondContact O-N 3.49Å; R54-G57 PolarHBondContact O-N 3.16Å; R54-E153 IonicContact CZ-OE2 2.73Å; R54-E153 IonicContact NE-OE2 3.69Å; R54-E153 IonicContact NH2-OE2 3.51Å; R54-E153 PolarHBondContact NH2-OE2 2.92Å
55V89Confident87.2Confident127 Ų12763.4 Ų63.477%0.7735%0.349SS*.THydrogen-bonded Turntrans-63-30.8173.4178.60000110.7D52 G57D52-V55 HydrophobicContact CB-CB 4.24Å; D52-V55 HydrophobicContact CB-CG2 3.84Å; D52-V55 PolarHBondContact O-N 3.23Å; V55-G57 VanDerWaalsContact C-N 3.31Å
56R81.2Confident88.1Confident72 Ų7257.7 Ų57.727%0.27232%0.315SS..THydrogen-bonded Turntrans-78.9-9.8174.8-66.3179.9167.4154.613.3114.5Y38 D51 D52 S53 R54 K58 A109Y38-R56 PolarHBondContact OH-NH1 3.22Å; D51-R56 IonicContact OD1-CZ 2.89Å; D51-R56 IonicContact OD1-NH1 3.86Å; D51-R56 IonicContact OD1-NH2 3.8Å; D51-R56 PolarHBondContact OD1-NH2 2.87Å; D52-R56 PolarHBondContact O-N 2.69Å; S53-R56 WeakPolarHBondContact O-CB 3.4Å; S53-R56 PolarHBondContact O-N 3.23Å; R54-R56 PolarHBondContact O-N 3.49Å; R56-K58 PolarHBondContact O-N 3.08Å; R56-A109 HydrophobicContact CG-CB 4.27Å
57G80Confident88.5Confident61 Ų6158.7 Ų58.763%0.62932%0.317SS*.THydrogen-bonded Turntrans735.2177.500000115.9S53 R54 V55S53-G57 PolarHBondContact O-N 3.49Å; R54-G57 PolarHBondContact O-N 3.16Å; V55-G57 VanDerWaalsContact C-N 3.31Å
58K85.5Confident88.8Confident164 Ų16459.8 Ų59.871%0.71332%0.315SS*.SBendtrans-138.1135.2176.3-70.5-171.5178.7-177.30111.7R56R56-K58 PolarHBondContact O-N 3.08Å
59P92.9Very high88.6Confident53 Ų5362 Ų6234%0.34432%0.319SS..  trans-66.8161.5172.530.2-34.5000111.1T35 L155T35-P59 HydrophobicContact CG2-CB 3.87Å; T35-P59 HydrophobicContact CG2-CG 3.79Å; P59-L155 HydrophobicContact CB-CD1 3.76Å; P59-L155 HydrophobicContact CG-CD1 4.25Å
60M92.8Very high88.5Confident24 Ų2459.4 Ų59.412%0.11830%0.303CS..EExtended strand (participates in β ladder)trans-80.1139.3169.9-177.965.1-175.300109.5T35 F36 Y38 F68 W73 L105T35-M60 CarbonylContact C-O 3.07Å; T35-M60 VanDerWaalsContact CA-O 3.32Å; T35-M60 WeakPolarHBondContact CA-O 3.35Å; F36-M60 HydrophobicContact CD2-CB 4.23Å; F36-M60 HydrophobicContact CE1-CB 4.33Å; F36-M60 HydrophobicContact CE1-CG 4.04Å; F36-M60 HydrophobicContact CE2-CB 3.9Å; F36-M60 HydrophobicContact CE2-CG 3.97Å; F36-M60 HydrophobicContact CZ-CB 3.96Å; F36-M60 HydrophobicContact CZ-CG 3.58Å; F36-M60 PolarHBondContact N-O 3.35Å; F36-M60 PolarHBondContact O-N 3.32Å; Y38-M60 HydrophobicContact CD1-CB 3.89Å; Y38-M60 HydrophobicContact CE1-CB 4.02Å; M60-F68 HydrophobicContact CE-CE1 4.42Å; M60-F68 HydrophobicContact CE-CE2 3.72Å; M60-F68 HydrophobicContact CE-CZ 3.66Å; M60-W73 HydrophobicContact CE-CE3 4.46Å; M60-W73 HydrophobicContact CE-CZ3 4.08Å; M60-W73 HydrophobicContact CG-CZ3 4Å; M60-W73 HydrophobicContact SD-CZ3 4.21Å; M60-L105 HydrophobicContact CE-CD2 4.4Å; M60-L105 HydrophobicContact SD-CD2 4.04Å
61E92.3Very high88.5Confident107 Ų10762.8 Ų62.850%0.533%0.326SS..EExtended strand (participates in β ladder)trans-113.6124.4167.1-63.8-168.5129.400108.8K33 A34 T35K33-E61 HydrophobicContact CD-CB 4.34Å; K33-E61 HydrophobicContact CD-CG 4.45Å; K33-E61 IonicContact NZ-OE1 3Å; K33-E61 PolarHBondContact NZ-OE1 2.88Å; A34-E61 WeakPolarHBondContact O-CA 2.99Å; T35-E61 HydrophobicContact CG2-CG 4.21Å
62L92.1Very high88.6Confident5 Ų562.7 Ų62.73%0.02633%0.326CS..EExtended strand (participates in β ladder)trans-121.8125.9177.9-177.465.5000109K33 A34 F36 I64 F68 W73 E74 V77K33-L62 WeakPolarHBondContact CA-O 3.43Å; A34-L62 PolarHBondContact N-O 2.91Å; A34-L62 PolarHBondContact O-N 3.19Å; F36-L62 HydrophobicContact CE1-CB 3.72Å; F36-L62 HydrophobicContact CE1-CD2 4.28Å; F36-L62 HydrophobicContact CZ-CB 4.34Å; F36-L62 HydrophobicContact CZ-CD2 4.48Å; L62-I64 HydrophobicContact CD2-CD1 4.26Å; L62-I64 HydrophobicContact CG-CD1 4.38Å; L62-F68 HydrophobicContact CD1-CB 3.53Å; L62-F68 HydrophobicContact CD1-CD1 3.89Å; L62-F68 HydrophobicContact CD1-CD2 4Å; L62-F68 HydrophobicContact CD1-CG 3.54Å; L62-W73 HydrophobicContact CD2-CB 4.32Å; L62-E74 HydrophobicContact CD1-CG 4.29Å; L62-E74 HydrophobicContact CD2-CG 3.89Å; L62-E74 HydrophobicContact CG-CG 4.3Å; L62-V77 HydrophobicContact CD2-CB 4.36Å; L62-V77 HydrophobicContact CD2-CG1 4.42Å; L62-V77 HydrophobicContact CD2-CG2 4.15Å
63I90.6Very high88.6Confident31 Ų3161.3 Ų61.316%0.15932%0.318CS..EExtended strand (participates in β ladder)trans-99.1115.7174.1-55.8175.2000108T32 K33 K66 Y163 Q165 A169T32-I63 CarbonylContact O-C 3.58Å; T32-I63 WeakPolarHBondContact O-CA 3.46Å; K33-I63 HydrophobicContact CB-CG1 4.5Å; K33-I63 HydrophobicContact CG-CG1 4.41Å; I63-K66 HydrophobicContact CB-CG 3.88Å; I63-K66 HydrophobicContact CG2-CG 3.58Å; I63-K66 PolarHBondContact O-N 2.83Å; I63-Y163 HydrophobicContact CD1-CE2 4.18Å; I63-Y163 HydrophobicContact CG1-CE2 4.48Å; I63-Y163 WeakPolarHBondContact CG2-OH 3.45Å; I63-Q165 HydrophobicContact CD1-CG 4.47Å; I63-A169 HydrophobicContact CD1-CB 4.09Å
64I91.6Very high88.6Confident12 Ų1262.8 Ų62.86%0.06233%0.325CS..THydrogen-bonded Turntrans-63.1137.2-177.8-55.9-51.5000110.3F28 G31 T32 L62 K66 E74 V77F28-I64 HydrophobicContact CD1-CD1 4.5Å; F28-I64 HydrophobicContact CD1-CG1 4.01Å; G31-I64 PolarHBondContact N-O 3.22Å; T32-I64 WeakPolarHBondContact O-CG1 3.17Å; T32-I64 PolarHBondContact O-N 3.13Å; L62-I64 HydrophobicContact CD2-CD1 4.26Å; L62-I64 HydrophobicContact CG-CD1 4.38Å; I64-K66 VanDerWaalsContact C-N 3.3Å; I64-K66 PolarHBondContact O-N 3.33Å; I64-E74 HydrophobicContact CD1-CB 4.5Å; I64-E74 HydrophobicContact CD1-CG 4.31Å; I64-V77 HydrophobicContact CD1-CG1 4.39Å
65G84.8Confident88.7Confident35 Ų3561 Ų6136%0.36133%0.325SS..THydrogen-bonded Turntrans83-4.1176.900000115.4D30 K67 E74D30-G65 VanDerWaalsContact OD1-CA 3.27Å; D30-G65 WeakPolarHBondContact OD1-CA 3.49Å; G65-K67 PolarHBondContact O-N 3.35Å; G65-E74 PolarHBondContact N-OE2 3.41Å
66K81.4Confident89.1Confident57 Ų5754.9 Ų54.925%0.24829%0.288CS..SBendtrans-82.414.2172.4-56.4-57.7-178.5-162.20114I63 I64 A169 E174I63-K66 HydrophobicContact CB-CG 3.88Å; I63-K66 HydrophobicContact CG2-CG 3.58Å; I63-K66 PolarHBondContact O-N 2.83Å; I64-K66 VanDerWaalsContact C-N 3.3Å; I64-K66 PolarHBondContact O-N 3.33Å; K66-A169 WeakPolarHBondContact CE-O 3.43Å; K66-E174 IonicContact NZ-OE1 2.7Å; K66-E174 PolarHBondContact NZ-OE1 3.4Å; K66-E174 IonicContact NZ-OE2 3.26Å; K66-E174 PolarHBondContact NZ-OE2 2.99Å
67K78.1Confident89.8Confident190 Ų19051.5 Ų51.583%0.82628%0.275SS*.  trans5358.9176-60.9-178-179.9177.60112.3G65 E74G65-K67 PolarHBondContact O-N 3.35Å; K67-E74 PolarHBondContact N-OE1 3.24Å
68F83.9Confident90.5Very high49 Ų4950.3 Ų50.322%0.21526%0.257CS..  trans-55.8143.3175.4-176.4-116.2000111.1M60 L62 L70 W73 E74 V101M60-F68 HydrophobicContact CE-CE1 4.42Å; M60-F68 HydrophobicContact CE-CE2 3.72Å; M60-F68 HydrophobicContact CE-CZ 3.66Å; L62-F68 HydrophobicContact CD1-CB 3.53Å; L62-F68 HydrophobicContact CD1-CD1 3.89Å; L62-F68 HydrophobicContact CD1-CD2 4Å; L62-F68 HydrophobicContact CD1-CG 3.54Å; F68-L70 HydrophobicContact CD1-CB 3.9Å; F68-L70 HydrophobicContact CE1-CB 3.73Å; F68-L70 PolarHBondContact O-N 3.15Å; F68-W73 HydrophobicContact CD1-CB 4.33Å; F68-W73 HydrophobicContact CD1-CE3 4.36Å; F68-W73 HydrophobicContact CE1-CB 4.46Å; F68-W73 HydrophobicContact CE1-CD2 4.1Å; F68-W73 AromaticContact CE1-CE3 3.53Å; F68-W73 HydrophobicContact CE1-CE3 3.53Å; F68-W73 HydrophobicContact CE1-CZ3 4.1Å; F68-W73 HydrophobicContact CZ-CE3 4.12Å; F68-W73 HydrophobicContact CZ-CZ3 4.26Å; F68-E74 HydrophobicContact CB-CG 4.48Å; F68-E74 PolarHBondContact N-OE1 2.93Å; F68-V101 HydrophobicContact CE1-CG1 4.08Å; F68-V101 HydrophobicContact CZ-CG1 3.67Å
69K83.6Confident91Very high110 Ų11042.8 Ų42.848%0.47823%0.225SC..SBendtrans-59.2-12.9-174.3-73.6-173178.9-179.30114.2L97 V101K69-L97 WeakPolarHBondContact O-CD1 3.39Å; K69-V101 HydrophobicContact CB-CG2 3.64Å
70L90.9Very high91.2Very high1 Ų140.3 Ų40.31%0.00521%0.209CC..SBendtrans-120.787.5173.6-171.661.1000110.1F68 V72 W73 H94 Y98 V101 F150F68-L70 HydrophobicContact CD1-CB 3.9Å; F68-L70 HydrophobicContact CE1-CB 3.73Å; F68-L70 PolarHBondContact O-N 3.15Å; L70-V72 VanDerWaalsContact C-N 3.25Å; L70-V72 HydrophobicContact CD1-CG1 3.93Å; L70-V72 HydrophobicContact CG-CG1 3.85Å; L70-V72 PolarHBondContact O-N 3.45Å; L70-V72 VanDerWaalsContact O-N 3.17Å; L70-W73 VanDerWaalsContact CD2-CD1 3.5Å; L70-W73 HydrophobicContact CD2-CD2 3.95Å; L70-W73 HydrophobicContact CD2-CG 3.87Å; L70-W73 HydrophobicContact CD2-CZ2 4.33Å; L70-W73 HydrophobicContact CG-CG 4.22Å; L70-W73 WeakPolarHBondContact O-CB 3.42Å; L70-W73 PolarHBondContact O-N 3.26Å; L70-H94 WeakPolarHBondContact CD1-O 3.46Å; L70-Y98 HydrophobicContact CD2-CD2 3.73Å; L70-Y98 HydrophobicContact CD2-CE2 4.48Å; L70-V101 HydrophobicContact CB-CG2 4.15Å; L70-F150 HydrophobicContact CD2-CZ 4.35Å
71P92.3Very high91.4Very high82 Ų8242.5 Ų42.553%0.53222%0.216SC..Hα-helixtrans-57.6-34.3-171.7-28.336000114.5W73 E74 T75P71-W73 PolarHBondContact O-N 2.9Å; P71-W73 VanDerWaalsContact O-N 3.11Å; P71-E74 PolarHBondContact O-N 3.37Å; P71-T75 PolarHBondContact O-N 3.08Å; P71-T75 PolarHBondContact O-OG1 3.22Å
72V95.5Very high91.5Very high4 Ų441.5 Ų41.52%0.02421%0.211CC..Hα-helixtrans-59.3-26.4179.866.50000112.7I13 L70 T75 I76 C90 H94 F150I13-V72 HydrophobicContact CD1-CG2 3.69Å; I13-V72 HydrophobicContact CG1-CG2 4.31Å; L70-V72 VanDerWaalsContact C-N 3.25Å; L70-V72 HydrophobicContact CD1-CG1 3.93Å; L70-V72 HydrophobicContact CG-CG1 3.85Å; L70-V72 PolarHBondContact O-N 3.45Å; L70-V72 VanDerWaalsContact O-N 3.17Å; V72-T75 WeakPolarHBondContact O-CB 3.47Å; V72-T75 PolarHBondContact O-N 3.46Å; V72-I76 HydrophobicContact CG2-CG2 4.2Å; V72-I76 WeakPolarHBondContact O-CG1 3.38Å; V72-I76 WeakPolarHBondContact O-CG2 3.41Å; V72-I76 PolarHBondContact O-N 3.11Å; V72-C90 HydrophobicContact CG2-CB 4.43Å; V72-H94 HydrophobicContact CB-CB 3.87Å; V72-H94 HydrophobicContact CG1-CB 4.09Å; V72-H94 WeakPolarHBondContact CG1-O 3.45Å; V72-H94 HydrophobicContact CG2-CB 3.88Å; V72-F150 HydrophobicContact CG1-CE2 4.33Å
73W95.8Very high91.8Very high0 Ų042.2 Ų42.20%022%0.22CC..Hα-helixtrans-66.4-43.9175.2-81.917.9000112.2F36 Y38 M60 L62 F68 L70 P71 T75 I76 V77 Y98 L105 F150 M152F36-W73 HydrophobicContact CE2-CE3 4.42Å; F36-W73 HydrophobicContact CE2-CZ3 4.45Å; F36-W73 HydrophobicContact CZ-CE3 4.08Å; F36-W73 HydrophobicContact CZ-CZ3 4.37Å; Y38-W73 AromaticContact CD1-CH2 3.85Å; Y38-W73 HydrophobicContact CD1-CH2 3.85Å; Y38-W73 HydrophobicContact CD1-CZ3 4.34Å; Y38-W73 AromaticContact CD2-CH2 3.82Å; Y38-W73 HydrophobicContact CD2-CH2 3.82Å; Y38-W73 AromaticContact CD2-CZ2 3.93Å; Y38-W73 HydrophobicContact CD2-CZ2 3.93Å; Y38-W73 AromaticContact CE1-CH2 3.77Å; Y38-W73 HydrophobicContact CE1-CH2 3.77Å; Y38-W73 HydrophobicContact CE1-CZ3 4.3Å; Y38-W73 AromaticContact CE2-CH2 3.75Å; Y38-W73 HydrophobicContact CE2-CH2 3.75Å; Y38-W73 HydrophobicContact CE2-CZ2 4.12Å; Y38-W73 AromaticContact CG-CH2 3.87Å; Y38-W73 HydrophobicContact CG-CH2 3.87Å; Y38-W73 HydrophobicContact CG-CZ2 4.21Å; Y38-W73 AromaticContact CZ-CH2 3.73Å; M60-W73 HydrophobicContact CE-CE3 4.46Å; M60-W73 HydrophobicContact CE-CZ3 4.08Å; M60-W73 HydrophobicContact CG-CZ3 4Å; M60-W73 HydrophobicContact SD-CZ3 4.21Å; L62-W73 HydrophobicContact CD2-CB 4.32Å; F68-W73 HydrophobicContact CD1-CB 4.33Å; F68-W73 HydrophobicContact CD1-CE3 4.36Å; F68-W73 HydrophobicContact CE1-CB 4.46Å; F68-W73 HydrophobicContact CE1-CD2 4.1Å; F68-W73 AromaticContact CE1-CE3 3.53Å; F68-W73 HydrophobicContact CE1-CE3 3.53Å; F68-W73 HydrophobicContact CE1-CZ3 4.1Å; F68-W73 HydrophobicContact CZ-CE3 4.12Å; F68-W73 HydrophobicContact CZ-CZ3 4.26Å; L70-W73 VanDerWaalsContact CD2-CD1 3.5Å; L70-W73 HydrophobicContact CD2-CD2 3.95Å; L70-W73 HydrophobicContact CD2-CG 3.87Å; L70-W73 HydrophobicContact CD2-CZ2 4.33Å; L70-W73 HydrophobicContact CG-CG 4.22Å; L70-W73 WeakPolarHBondContact O-CB 3.42Å; L70-W73 PolarHBondContact O-N 3.26Å; P71-W73 PolarHBondContact O-N 2.9Å; P71-W73 VanDerWaalsContact O-N 3.11Å; W73-T75 VanDerWaalsContact C-N 3.29Å; W73-T75 PolarHBondContact O-N 3.42Å; W73-I76 WeakPolarHBondContact O-CG1 3.34Å; W73-I76 PolarHBondContact O-N 3.08Å; W73-V77 WeakPolarHBondContact O-CB 3.32Å; W73-V77 WeakPolarHBondContact O-CG2 3.36Å; W73-V77 PolarHBondContact O-N 3.44Å; W73-Y98 HydrophobicContact CZ2-CE2 4.09Å; W73-L105 HydrophobicContact CH2-CD1 4.07Å; W73-L105 HydrophobicContact CZ3-CD1 4.33Å; W73-F150 HydrophobicContact CZ2-CD1 4.36Å; W73-F150 HydrophobicContact CZ2-CE1 4.23Å; W73-F150 AromaticContact NE1-CD1 3.57Å; W73-F150 AromaticContact NE1-CD2 3.97Å; W73-F150 AromaticContact NE1-CE1 3.34Å; W73-F150 VanDerWaalsContact NE1-CE1 3.34Å; W73-F150 AromaticContact NE1-CE2 3.76Å; W73-F150 AromaticContact NE1-CG 3.89Å; W73-F150 AromaticContact NE1-CZ 3.44Å; W73-M152 HydrophobicContact CD2-CE 3.99Å; W73-M152 HydrophobicContact CG-CE 4.03Å; W73-M152 HydrophobicContact CZ2-CE 4.42Å
74E94.3Very high92.1Very high33 Ų3340.8 Ų40.815%0.15421%0.212CC..Hα-helixtrans-59.7-44.6173.3-70-174.5-143.600110L62 I64 G65 K67 F68 P71 I76 C78L62-E74 HydrophobicContact CD1-CG 4.29Å; L62-E74 HydrophobicContact CD2-CG 3.89Å; L62-E74 HydrophobicContact CG-CG 4.3Å; I64-E74 HydrophobicContact CD1-CB 4.5Å; I64-E74 HydrophobicContact CD1-CG 4.31Å; G65-E74 PolarHBondContact N-OE2 3.41Å; K67-E74 PolarHBondContact N-OE1 3.24Å; F68-E74 HydrophobicContact CB-CG 4.48Å; F68-E74 PolarHBondContact N-OE1 2.93Å; P71-E74 PolarHBondContact O-N 3.37Å; E74-I76 PolarHBondContact O-N 3.34Å; E74-C78 WeakPolarHBondContact O-CB 3.41Å; E74-C78 PolarHBondContact O-N 2.89Å; E74-C78 PolarHBondContact O-SG 3.07Å
75T94.4Very high92.4Very high63 Ų6341.4 Ų41.439%0.38722%0.216SC..Hα-helixtrans-57.1-49.1178.6-53.90000113.1L8 I13 P71 V72 W73 T79L8-T75 HydrophobicContact CD2-CG2 3.75Å; I13-T75 HydrophobicContact CD1-CG2 4.34Å; P71-T75 PolarHBondContact O-N 3.08Å; P71-T75 PolarHBondContact O-OG1 3.22Å; V72-T75 WeakPolarHBondContact O-CB 3.47Å; V72-T75 PolarHBondContact O-N 3.46Å; W73-T75 VanDerWaalsContact C-N 3.29Å; W73-T75 PolarHBondContact O-N 3.42Å; T75-T79 WeakPolarHBondContact O-CG2 3.46Å
76I96.3Very high93Very high0 Ų039.8 Ų39.80%020%0.199CC..Hα-helixtrans-76.3-38.3-176.465.2-170.5000112.5I13 V72 W73 E74 C78 T79 F88 F150 M152I13-I76 HydrophobicContact CG2-CG2 3.84Å; V72-I76 HydrophobicContact CG2-CG2 4.2Å; V72-I76 WeakPolarHBondContact O-CG1 3.38Å; V72-I76 WeakPolarHBondContact O-CG2 3.41Å; V72-I76 PolarHBondContact O-N 3.11Å; W73-I76 WeakPolarHBondContact O-CG1 3.34Å; W73-I76 PolarHBondContact O-N 3.08Å; E74-I76 PolarHBondContact O-N 3.34Å; I76-C78 VanDerWaalsContact C-N 3.34Å; I76-C78 PolarHBondContact O-N 3.06Å; I76-T79 WeakPolarHBondContact O-CB 3.28Å; I76-T79 PolarHBondContact O-N 3.17Å; I76-T79 VanDerWaalsContact O-N 3.1Å; I76-T79 PolarHBondContact O-OG1 2.92Å; I76-F88 HydrophobicContact CB-CD1 3.62Å; I76-F88 HydrophobicContact CB-CD2 4.24Å; I76-F88 HydrophobicContact CB-CE1 3.61Å; I76-F88 HydrophobicContact CB-CE2 4.25Å; I76-F88 HydrophobicContact CB-CG 3.93Å; I76-F88 HydrophobicContact CB-CZ 3.94Å; I76-F88 HydrophobicContact CD1-CB 4.19Å; I76-F88 HydrophobicContact CD1-CD2 4.02Å; I76-F88 HydrophobicContact CD1-CG 4.03Å; I76-F88 HydrophobicContact CG1-CD2 4.39Å; I76-F88 HydrophobicContact CG1-CE2 4.5Å; I76-F88 HydrophobicContact CG1-CG 4.42Å; I76-F88 HydrophobicContact CG2-CB 4.31Å; I76-F88 HydrophobicContact CG2-CD1 3.6Å; I76-F88 HydrophobicContact CG2-CE1 4.02Å; I76-F88 HydrophobicContact CG2-CG 4Å; I76-F150 HydrophobicContact CD1-CB 4.31Å; I76-F150 HydrophobicContact CD1-CD2 3.9Å; I76-F150 HydrophobicContact CD1-CG 4.36Å; I76-M152 HydrophobicContact CD1-CE 3.56Å; I76-M152 HydrophobicContact CD1-SD 3.76Å; I76-M152 HydrophobicContact CG1-CE 4.2Å; I76-M152 HydrophobicContact CG1-SD 3.98Å
77V96.6Very high93.8Very high0 Ų040.3 Ų40.30%020%0.202CC..Hα-helixtrans-61.8-41.6178.2167.60000110.6F28 A34 F36 L62 I64 W73 T79 M80 M152 M154F28-V77 HydrophobicContact CE1-CG1 4.37Å; F28-V77 WeakPolarHBondContact CZ-O 3.27Å; A34-V77 HydrophobicContact CB-CG1 3.46Å; A34-V77 VanDerWaalsContact CB-CG1 3.46Å; F36-V77 HydrophobicContact CD1-CG2 4.24Å; F36-V77 HydrophobicContact CE1-CG1 4.42Å; F36-V77 HydrophobicContact CE1-CG2 3.77Å; F36-V77 HydrophobicContact CE2-CG2 4.44Å; F36-V77 HydrophobicContact CZ-CG2 3.88Å; L62-V77 HydrophobicContact CD2-CB 4.36Å; L62-V77 HydrophobicContact CD2-CG1 4.42Å; L62-V77 HydrophobicContact CD2-CG2 4.15Å; I64-V77 HydrophobicContact CD1-CG1 4.39Å; W73-V77 WeakPolarHBondContact O-CB 3.32Å; W73-V77 WeakPolarHBondContact O-CG2 3.36Å; W73-V77 PolarHBondContact O-N 3.44Å; V77-T79 PolarHBondContact O-N 2.67Å; V77-M80 WeakPolarHBondContact O-CB 3.45Å; V77-M80 PolarHBondContact O-N 2.95Å; V77-M152 HydrophobicContact CG2-SD 4.05Å; V77-M154 HydrophobicContact CG1-CE 3.69Å
78C95.3Very high94.7Very high36 Ų3631.2 Ų31.224%0.24316%0.163CC..THydrogen-bonded Turntrans-64.9-4177.2-69.40000114.4F28 E74 I76F28-C78 HydrophobicContact CB-CB 4.21Å; F28-C78 VanDerWaalsContact CB-SG 3.59Å; F28-C78 HydrophobicContact CD2-CB 4Å; F28-C78 WeakPolarHBondContact CD2-O 3.32Å; F28-C78 WeakPolarHBondContact CE2-O 3.49Å; F28-C78 HydrophobicContact CG-CB 4.03Å; E74-C78 WeakPolarHBondContact O-CB 3.41Å; E74-C78 PolarHBondContact O-N 2.89Å; E74-C78 PolarHBondContact O-SG 3.07Å; I76-C78 VanDerWaalsContact C-N 3.34Å; I76-C78 PolarHBondContact O-N 3.06Å
79T95.9Very high95.4Very high7 Ų731.3 Ų31.34%0.04317%0.165CC..THydrogen-bonded Turntrans-99.9-4.2174.376.40000113.6M1 I4 L8 K15 T75 I76 V77M1-T79 WeakPolarHBondContact CE-O 3.46Å; I4-T79 HydrophobicContact CG2-CG2 3.48Å; I4-T79 VanDerWaalsContact CG2-CG2 3.48Å; L8-T79 HydrophobicContact CD1-CG2 3.97Å; K15-T79 PolarHBondContact NZ-O 2.69Å; K15-T79 PolarHBondContact NZ-OG1 3.24Å; T75-T79 WeakPolarHBondContact O-CG2 3.46Å; I76-T79 WeakPolarHBondContact O-CB 3.28Å; I76-T79 PolarHBondContact O-N 3.17Å; I76-T79 VanDerWaalsContact O-N 3.1Å; I76-T79 PolarHBondContact O-OG1 2.92Å; V77-T79 PolarHBondContact O-N 2.67Å
80M96.7Very high96Very high0 Ų026 Ų260%014%0.142CC..PPolyproline II helixtrans-99.1143.8-172.3-62.6-17672.200112.3L25 F28 V77 E84 A86 F88 M152 M154L25-M80 WeakPolarHBondContact CD1-O 3.41Å; F28-M80 WeakPolarHBondContact CZ-O 3.3Å; V77-M80 WeakPolarHBondContact O-CB 3.45Å; V77-M80 PolarHBondContact O-N 2.95Å; M80-E84 VanDerWaalsContact CA-OE2 3.32Å; M80-E84 WeakPolarHBondContact CA-OE2 3.26Å; M80-E84 HydrophobicContact CB-CB 4.46Å; M80-E84 HydrophobicContact CE-CB 4.16Å; M80-E84 HydrophobicContact CE-CG 4.26Å; M80-E84 VanDerWaalsContact CE-O 3.29Å; M80-E84 WeakPolarHBondContact CE-O 3.14Å; M80-A86 HydrophobicContact CE-CB 4.05Å; M80-F88 HydrophobicContact CG-CE2 4.33Å; M80-F88 HydrophobicContact CG-CZ 3.82Å; M80-F88 HydrophobicContact SD-CE2 3.76Å; M80-F88 HydrophobicContact SD-CZ 3.87Å; M80-M152 HydrophobicContact CE-CB 3.98Å; M80-M152 WeakPolarHBondContact CE-O 3.43Å; M80-M152 HydrophobicContact SD-CB 3.9Å; M80-M152 HydrophobicContact SD-SD 4.47Å; M80-M154 HydrophobicContact CB-CB 4.32Å; M80-M154 HydrophobicContact CB-CE 3.81Å; M80-M154 HydrophobicContact CE-CB 3.98Å; M80-M154 HydrophobicContact SD-CE 4.48Å
81R96.2Very high96.3Very high71 Ų7129.1 Ų29.127%0.26816%0.159SC..PPolyproline II helixtrans-90.2160.9168.4-62-177.9-166-136.31.9111.3G23 L25 G83 E84 M154G23-R81 WeakPolarHBondContact O-CD 3.5Å; G23-R81 PolarHBondContact O-NH1 3.49Å; L25-R81 HydrophobicContact CD1-CG 4.25Å; R81-G83 PolarHBondContact O-N 3.45Å; R81-E84 HydrophobicContact CB-CB 4.41Å; R81-E84 PolarHBondContact N-OE2 3.27Å; R81-E84 WeakPolarHBondContact O-CB 3.38Å; R81-E84 PolarHBondContact O-N 3.49Å; R81-M154 VanDerWaalsContact O-CB 3.24Å; R81-M154 WeakPolarHBondContact O-CB 3.4Å; R81-M154 WeakPolarHBondContact O-CG 3.46Å
82E96.2Very high96.4Very high85 Ų8528.6 Ų28.640%0.39715%0.151SC..BIsolated β-bridgetrans-60.5131.2173.2-169.7169.6115.600111.1G21 R22 E84 L155 V157G21-E82 CarbonylContact C-O 3.59Å; G21-E82 VanDerWaalsContact CA-O 3.3Å; G21-E82 WeakPolarHBondContact CA-O 3.47Å; R22-E82 PolarHBondContact N-O 3.12Å; E82-E84 VanDerWaalsContact C-N 3.27Å; E82-E84 PolarHBondContact O-N 3.13Å; E82-L155 WeakPolarHBondContact CG-O 3.28Å; E82-V157 PolarHBondContact OE2-N 3.29Å; E82-V157 VanDerWaalsContact OE2-N 3.12Å
83G96.6Very high96.4Very high21 Ų2133.9 Ų33.922%0.21617%0.173CC..THydrogen-bonded Turntrans77.71.7-174.400000115.4Q19 R81 M154Q19-G83 PolarHBondContact NE2-O 3.12Å; R81-G83 PolarHBondContact O-N 3.45Å; G83-M154 WeakPolarHBondContact CA-O 3.44Å; G83-M154 PolarHBondContact N-O 3.43Å
84E98Very high96.4Very high0 Ų035.6 Ų35.60%018%0.181CC..  trans-71.3138.2176-171.9-179.3133.400111.1K15 V17 Q19 M80 R81 E82 A86 E153 M154K15-E84 WeakPolarHBondContact CE-OE1 3.3Å; K15-E84 IonicContact NZ-OE1 3.65Å; K15-E84 PolarHBondContact NZ-OE1 2.95Å; K15-E84 IonicContact NZ-OE2 2.99Å; V17-E84 HydrophobicContact CG1-CG 4.27Å; Q19-E84 WeakPolarHBondContact O-CA 3.4Å; Q19-E84 WeakPolarHBondContact O-CG 3.47Å; M80-E84 VanDerWaalsContact CA-OE2 3.32Å; M80-E84 WeakPolarHBondContact CA-OE2 3.26Å; M80-E84 HydrophobicContact CB-CB 4.46Å; M80-E84 HydrophobicContact CE-CB 4.16Å; M80-E84 HydrophobicContact CE-CG 4.26Å; M80-E84 VanDerWaalsContact CE-O 3.29Å; M80-E84 WeakPolarHBondContact CE-O 3.14Å; R81-E84 HydrophobicContact CB-CB 4.41Å; R81-E84 PolarHBondContact N-OE2 3.27Å; R81-E84 WeakPolarHBondContact O-CB 3.38Å; R81-E84 PolarHBondContact O-N 3.49Å; E82-E84 VanDerWaalsContact C-N 3.27Å; E82-E84 PolarHBondContact O-N 3.13Å; E84-A86 HydrophobicContact CG-CB 4.47Å; E84-E153 WeakPolarHBondContact O-CA 3.39Å; E84-M154 PolarHBondContact O-N 2.89Å
85I98.1Very high96.4Very high26 Ų2634.3 Ų34.313%0.13318%0.176CC..EExtended strand (participates in β ladder)trans-113.9120.7168.1-53.8177.5000107.8I18 Q19 H151 M152 E153I18-I85 WeakPolarHBondContact CA-O 3.47Å; I18-I85 HydrophobicContact CB-CB 4.41Å; I18-I85 HydrophobicContact CB-CG2 4.14Å; I18-I85 WeakPolarHBondContact CB-O 3.43Å; I18-I85 HydrophobicContact CD1-CG2 4.36Å; I18-I85 HydrophobicContact CG2-CG2 4.42Å; I18-I85 PolarHBondContact N-O 2.91Å; Q19-I85 HydrophobicContact CB-CB 3.85Å; Q19-I85 HydrophobicContact CB-CD1 4.11Å; Q19-I85 HydrophobicContact CB-CG1 4.01Å; Q19-I85 PolarHBondContact N-O 3.43Å; Q19-I85 PolarHBondContact O-N 3.47Å; I85-H151 WeakPolarHBondContact CG2-NE2 3.35Å; I85-M152 WeakPolarHBondContact CA-O 2.81Å; I85-E153 HydrophobicContact CG1-CB 4.17Å; I85-E153 HydrophobicContact CG1-CG 4.03Å
86A97.6Very high96.2Very high0 Ų035.4 Ų35.40%018%0.182CC..EExtended strand (participates in β ladder)trans-138.1151.4-178.100000112.1R16 M80 E84 F88 M152R16-A86 WeakPolarHBondContact O-CA 3.47Å; M80-A86 HydrophobicContact CE-CB 4.05Å; E84-A86 HydrophobicContact CG-CB 4.47Å; A86-F88 HydrophobicContact CB-CE2 3.68Å; A86-F88 HydrophobicContact CB-CZ 3.78Å; A86-M152 PolarHBondContact N-O 2.84Å; A86-M152 PolarHBondContact O-N 3.28Å
87Q97.4Very high95.9Very high68 Ų6839.6 Ų39.632%0.31820%0.204SC..EExtended strand (participates in β ladder)trans-109.5135.9171.9-178.1179.469.700109.3K15 R16 I18 V149 F150K15-Q87 CarbonylContact C-O 3.59Å; K15-Q87 WeakPolarHBondContact CA-O 3.47Å; R16-Q87 PolarHBondContact N-O 2.95Å; R16-Q87 PolarHBondContact O-N 3.46Å; I18-Q87 HydrophobicContact CD1-CB 4.01Å; Q87-V149 HydrophobicContact CG-CG1 3.44Å; Q87-V149 VanDerWaalsContact CG-CG1 3.44Å; Q87-F150 CarbonylContact C-O 3.59Å; Q87-F150 WeakPolarHBondContact CA-O 3.5Å
88F97.8Very high95.8Very high0 Ų039.6 Ų39.60%020%0.204CC..EExtended strand (participates in β ladder)trans-124.9115.9178.1-56.5-90.1000109.1I13 Q14 K15 I76 M80 A86 V149 F150 M152I13-F88 HydrophobicContact CG2-CD1 4.46Å; Q14-F88 WeakPolarHBondContact O-CA 3.31Å; K15-F88 HydrophobicContact CB-CD1 3.87Å; K15-F88 HydrophobicContact CB-CE1 3.85Å; K15-F88 HydrophobicContact CD-CD1 4.44Å; K15-F88 HydrophobicContact CD-CE1 3.57Å; K15-F88 HydrophobicContact CD-CZ 4.11Å; K15-F88 HydrophobicContact CG-CD1 3.91Å; K15-F88 HydrophobicContact CG-CE1 3.45Å; K15-F88 VanDerWaalsContact CG-CE1 3.45Å; K15-F88 HydrophobicContact CG-CZ 4.13Å; I76-F88 HydrophobicContact CB-CD1 3.62Å; I76-F88 HydrophobicContact CB-CD2 4.24Å; I76-F88 HydrophobicContact CB-CE1 3.61Å; I76-F88 HydrophobicContact CB-CE2 4.25Å; I76-F88 HydrophobicContact CB-CG 3.93Å; I76-F88 HydrophobicContact CB-CZ 3.94Å; I76-F88 HydrophobicContact CD1-CB 4.19Å; I76-F88 HydrophobicContact CD1-CD2 4.02Å; I76-F88 HydrophobicContact CD1-CG 4.03Å; I76-F88 HydrophobicContact CG1-CD2 4.39Å; I76-F88 HydrophobicContact CG1-CE2 4.5Å; I76-F88 HydrophobicContact CG1-CG 4.42Å; I76-F88 HydrophobicContact CG2-CB 4.31Å; I76-F88 HydrophobicContact CG2-CD1 3.6Å; I76-F88 HydrophobicContact CG2-CE1 4.02Å; I76-F88 HydrophobicContact CG2-CG 4Å; M80-F88 HydrophobicContact CG-CE2 4.33Å; M80-F88 HydrophobicContact CG-CZ 3.82Å; M80-F88 HydrophobicContact SD-CE2 3.76Å; M80-F88 HydrophobicContact SD-CZ 3.87Å; A86-F88 HydrophobicContact CB-CE2 3.68Å; A86-F88 HydrophobicContact CB-CZ 3.78Å; F88-V149 CarbonylContact O-C 3.43Å; F88-V149 VanDerWaalsContact O-CA 3.31Å; F88-V149 WeakPolarHBondContact O-CA 3.29Å; F88-F150 HydrophobicContact CB-CB 4.39Å; F88-F150 PolarHBondContact N-O 3.28Å; F88-F150 PolarHBondContact O-N 2.88Å; F88-M152 HydrophobicContact CD2-SD 4.42Å; F88-M152 HydrophobicContact CE2-CB 4.32Å; F88-M152 HydrophobicContact CE2-SD 4.31Å
89L97.1Very high95.7Very high50 Ų5038 Ų3826%0.26219%0.193SC..EExtended strand (participates in β ladder)trans-90.2117.6165.8170.566.7000107.9I13 Q14 P147 V149I13-L89 CarbonylContact C-O 3.47Å; I13-L89 WeakPolarHBondContact CA-O 3.34Å; Q14-L89 HydrophobicContact CB-CB 4.25Å; Q14-L89 PolarHBondContact N-O 3.48Å; Q14-L89 PolarHBondContact O-N 2.98Å; L89-P147 HydrophobicContact CD1-CB 4.01Å; L89-V149 HydrophobicContact CD1-CG2 3.81Å
90C97.1Very high95.3Very high0 Ų040.8 Ų40.80%021%0.207CC..EExtended strand (participates in β ladder)trans-114.3128.4-177.3-62.70000110.6V72 H94 V95 P147 L148 F150V72-C90 HydrophobicContact CG2-CB 4.43Å; C90-H94 HydrophobicContact CB-CB 4.36Å; C90-V95 HydrophobicContact CB-CG1 3.86Å; C90-P147 VanDerWaalsContact O-CA 3.29Å; C90-P147 WeakPolarHBondContact O-CA 3.35Å; C90-P147 WeakPolarHBondContact O-CB 3.43Å; C90-L148 PolarHBondContact N-O 2.92Å; C90-L148 PolarHBondContact O-N 2.83Å; C90-L148 VanDerWaalsContact O-N 3.14Å; C90-F150 HydrophobicContact CB-CD2 4.45Å; C90-F150 HydrophobicContact CB-CE2 4.1Å
91D96.8Very high95Very high66 Ų6641 Ų4135%0.35321%0.208SC..  trans-59157.3175.2-76.8-9.5000113.2G12 K93 H94G12-D91 VanDerWaalsContact CA-OD2 3.25Å; G12-D91 WeakPolarHBondContact CA-OD2 3.37Å; G12-D91 VanDerWaalsContact O-CG 3.24Å; G12-D91 PolarHBondContact O-N 3.08Å; D91-K93 HydrophobicContact CB-CG 4.23Å; D91-K93 PolarHBondContact O-N 2.99Å; D91-K93 VanDerWaalsContact O-N 3.08Å; D91-H94 WeakPolarHBondContact O-CB 3.39Å; D91-H94 PolarHBondContact O-N 3.44Å
92I94.9Very high94.8Very high71 Ų7137.6 Ų37.636%0.36420%0.196SC..Hα-helixtrans-48.5-43.2-176.8-57.4174.5000112H94 V95 V96 P145 P147I92-H94 PolarHBondContact O-N 3.04Å; I92-V95 WeakPolarHBondContact O-CG2 3.07Å; I92-V95 PolarHBondContact O-N 2.93Å; I92-V96 HydrophobicContact CG2-CG2 4.38Å; I92-V96 WeakPolarHBondContact O-CG2 3.46Å; I92-V96 PolarHBondContact O-N 3.05Å; I92-P145 HydrophobicContact CG2-CB 3.65Å; I92-P147 HydrophobicContact CG1-CG 3.94Å
93K94.9Very high94.4Very high115 Ų11534.6 Ų34.650%0.518%0.181SC..Hα-helixtrans-54.6-27.6-177.963.1172.4173.6162.10113.7D11 D91D11-K93 WeakPolarHBondContact O-CE 3.49Å; D11-K93 PolarHBondContact O-NZ 3.41Å; D11-K93 IonicContact OD1-NZ 2.7Å; D11-K93 PolarHBondContact OD1-NZ 3.38Å; D91-K93 HydrophobicContact CB-CG 4.23Å; D91-K93 PolarHBondContact O-N 2.99Å; D91-K93 VanDerWaalsContact O-N 3.08Å
94H95.4Very high93.9Very high36 Ų3634.2 Ų34.217%0.16718%0.175CC..Hα-helixtrans-90.4-18.2-177.5-69.6-50.5000113.7D11 L70 V72 C90 D91 I92D11-H94 PolarHBondContact O-NE2 3.5Å; D11-H94 IonicContact OD1-CE1 3.62Å; D11-H94 IonicContact OD1-NE2 2.66Å; D11-H94 IonicContact OD2-CE1 3.11Å; D11-H94 PolarHBondContact OD2-CE1 3.05Å; D11-H94 IonicContact OD2-NE2 2.79Å; D11-H94 PolarHBondContact OD2-NE2 2.8Å; L70-H94 WeakPolarHBondContact CD1-O 3.46Å; V72-H94 HydrophobicContact CB-CB 3.87Å; V72-H94 HydrophobicContact CG1-CB 4.09Å; V72-H94 WeakPolarHBondContact CG1-O 3.45Å; V72-H94 HydrophobicContact CG2-CB 3.88Å; C90-H94 HydrophobicContact CB-CB 4.36Å; D91-H94 WeakPolarHBondContact O-CB 3.39Å; D91-H94 PolarHBondContact O-N 3.44Å; I92-H94 PolarHBondContact O-N 3.04Å
95V94.6Very high93.4Very high6 Ų635.2 Ų35.24%0.03618%0.18CC..Hα-helixtrans-119.74.9-167.1-59.90000113.7C90 I92 L97 Y98 Q146 L148 F150C90-V95 HydrophobicContact CB-CG1 3.86Å; I92-V95 WeakPolarHBondContact O-CG2 3.07Å; I92-V95 PolarHBondContact O-N 2.93Å; V95-L97 PolarHBondContact O-N 3.3Å; V95-L97 VanDerWaalsContact O-N 3.14Å; V95-Y98 WeakPolarHBondContact O-CB 3.44Å; V95-Y98 PolarHBondContact O-N 3.12Å; V95-Q146 WeakPolarHBondContact CG2-O 3.44Å; V95-L148 HydrophobicContact CB-CB 4.46Å; V95-L148 HydrophobicContact CB-CD1 3.87Å; V95-L148 HydrophobicContact CB-CG 4.12Å; V95-L148 HydrophobicContact CG1-CB 4.18Å; V95-L148 HydrophobicContact CG1-CD1 4.26Å; V95-L148 HydrophobicContact CG1-CG 4.38Å; V95-L148 HydrophobicContact CG2-CB 4.47Å; V95-L148 HydrophobicContact CG2-CD1 4.24Å; V95-L148 HydrophobicContact CG2-CG 4Å; V95-F150 HydrophobicContact CG1-CE2 3.81Å; V95-F150 HydrophobicContact CG1-CZ 3.81Å
96V90.5Very high93.1Very high86 Ų8635.8 Ų35.852%0.52118%0.181SC..THydrogen-bonded Turntrans-53.1-36.5177.3-178.30000112.6I92 Y98 P99I92-V96 HydrophobicContact CG2-CG2 4.38Å; I92-V96 WeakPolarHBondContact O-CG2 3.46Å; I92-V96 PolarHBondContact O-N 3.05Å; V96-Y98 VanDerWaalsContact C-N 3.32Å; V96-P99 WeakPolarHBondContact O-CD 3.14Å
97L90.1Very high92.4Very high87 Ų8736.6 Ų36.646%0.45519%0.185SC..THydrogen-bonded Turntrans-85.2-4.1-179.8-62.1179.1000113.7K69 V95 P99 L100 V101K69-L97 WeakPolarHBondContact O-CD1 3.39Å; V95-L97 PolarHBondContact O-N 3.3Å; V95-L97 VanDerWaalsContact O-N 3.14Å; L97-P99 VanDerWaalsContact C-CD 3.5Å; L97-L100 HydrophobicContact CD2-CD1 4.24Å; L97-L100 PolarHBondContact O-N 3.37Å; L97-V101 PolarHBondContact O-N 3.15Å
98Y94.4Very high91.5Very high0 Ų037.8 Ų37.80%019%0.193CC..Hα-helixtrans-55.8-44.3-177.9-175.8-93.6000113.2T40 L50 D51 L70 W73 V95 V96 L100 V101 A102 L141 L148 F150T40-Y98 WeakPolarHBondContact CB-OH 3.27Å; T40-Y98 HydrophobicContact CG2-CE1 3.85Å; T40-Y98 HydrophobicContact CG2-CE2 3.83Å; T40-Y98 VanDerWaalsContact CG2-CZ 3.47Å; T40-Y98 WeakPolarHBondContact OG1-CE2 3.22Å; T40-Y98 PolarHBondContact OG1-OH 2.92Å; L50-Y98 HydrophobicContact CB-CE1 4.38Å; L50-Y98 HydrophobicContact CD1-CE1 4.11Å; D51-Y98 WeakPolarHBondContact CB-OH 3.38Å; D51-Y98 VanDerWaalsContact CG-OH 3.28Å; D51-Y98 WeakPolarHBondContact OD2-CE1 3.48Å; D51-Y98 PolarHBondContact OD2-OH 3.48Å; L70-Y98 HydrophobicContact CD2-CD2 3.73Å; L70-Y98 HydrophobicContact CD2-CE2 4.48Å; W73-Y98 HydrophobicContact CZ2-CE2 4.09Å; V95-Y98 WeakPolarHBondContact O-CB 3.44Å; V95-Y98 PolarHBondContact O-N 3.12Å; V96-Y98 VanDerWaalsContact C-N 3.32Å; Y98-L100 VanDerWaalsContact C-N 3.29Å; Y98-L100 PolarHBondContact O-N 3.26Å; Y98-V101 PolarHBondContact O-N 2.93Å; Y98-V101 VanDerWaalsContact O-N 3.12Å; Y98-A102 HydrophobicContact CD1-CB 4.16Å; Y98-A102 HydrophobicContact CE1-CB 3.68Å; Y98-A102 VanDerWaalsContact O-CB 3.31Å; Y98-A102 WeakPolarHBondContact O-CB 3.26Å; Y98-A102 PolarHBondContact O-N 3.26Å; Y98-L141 HydrophobicContact CD1-CD2 3.88Å; Y98-L148 HydrophobicContact CD1-CD1 3.54Å; Y98-L148 HydrophobicContact CD2-CD1 4.1Å; Y98-L148 HydrophobicContact CE1-CD1 4.21Å; Y98-L148 HydrophobicContact CG-CD1 3.49Å; Y98-L148 VanDerWaalsContact CG-CD1 3.49Å; Y98-F150 AromaticContact CD2-CE1 3.83Å; Y98-F150 HydrophobicContact CD2-CE1 3.83Å; Y98-F150 HydrophobicContact CD2-CZ 4.06Å; Y98-F150 AromaticContact CE2-CE1 3.72Å; Y98-F150 HydrophobicContact CE2-CE1 3.72Å; Y98-F150 HydrophobicContact CE2-CZ 4.4Å
99P92.7Very high90.7Very high4 Ų440.8 Ų40.83%0.02622%0.217CC..Hα-helixtrans-55.4-41.1178.7-26.535.4000113.6V96 L97 K103 L133 L138 L141 Q142V96-P99 WeakPolarHBondContact O-CD 3.14Å; L97-P99 VanDerWaalsContact C-CD 3.5Å; P99-K103 WeakPolarHBondContact O-CB 3.3Å; P99-K103 PolarHBondContact O-N 3.34Å; P99-L133 HydrophobicContact CB-CD1 3.47Å; P99-L133 VanDerWaalsContact CB-CD1 3.47Å; P99-L138 HydrophobicContact CB-CB 4.3Å; P99-L141 HydrophobicContact CG-CB 4.34Å; P99-L141 HydrophobicContact CG-CD2 3.95Å; P99-L141 HydrophobicContact CG-CG 3.98Å; P99-Q142 HydrophobicContact CG-CB 4.39Å
100L88.1Confident90.1Very high64 Ų6441.6 Ų41.634%0.33523%0.231SC..Hα-helixtrans-69-39.8179-62.2176.4000112L97 Y98 S104 L133L97-L100 HydrophobicContact CD2-CD1 4.24Å; L97-L100 PolarHBondContact O-N 3.37Å; Y98-L100 VanDerWaalsContact C-N 3.29Å; Y98-L100 PolarHBondContact O-N 3.26Å; L100-S104 PolarHBondContact O-N 3.38Å; L100-S104 VanDerWaalsContact O-N 3.11Å; L100-S104 PolarHBondContact O-OG 3.15Å; L100-L133 HydrophobicContact CD2-CD2 3.67Å
101V90.6Very high89.2Confident4 Ų445.1 Ų45.12%0.02427%0.268CS..Hα-helixtrans-69.4-45.2177.5173.80000110.5F68 K69 L70 L97 Y98 K103 S104 L105F68-V101 HydrophobicContact CE1-CG1 4.08Å; F68-V101 HydrophobicContact CZ-CG1 3.67Å; K69-V101 HydrophobicContact CB-CG2 3.64Å; L70-V101 HydrophobicContact CB-CG2 4.15Å; L97-V101 PolarHBondContact O-N 3.15Å; Y98-V101 PolarHBondContact O-N 2.93Å; Y98-V101 VanDerWaalsContact O-N 3.12Å; V101-K103 PolarHBondContact O-N 2.96Å; V101-S104 WeakPolarHBondContact O-CB 3.3Å; V101-S104 PolarHBondContact O-N 3.5Å; V101-S104 VanDerWaalsContact O-N 3.08Å; V101-L105 HydrophobicContact CG1-CD1 3.89Å; V101-L105 HydrophobicContact CG1-CG 4.3Å; V101-L105 VanDerWaalsContact O-CG 3.31Å; V101-L105 WeakPolarHBondContact O-CG 3.34Å; V101-L105 PolarHBondContact O-N 2.96Å
102A92Very high88Confident0 Ų047.2 Ų47.20%027%0.274CS..Hα-helixtrans-57-46.1175.400000111.7D51 Y98 S104 L105 R106 L138D51-A102 WeakPolarHBondContact OD2-CB 3.31Å; Y98-A102 HydrophobicContact CD1-CB 4.16Å; Y98-A102 HydrophobicContact CE1-CB 3.68Å; Y98-A102 VanDerWaalsContact O-CB 3.31Å; Y98-A102 WeakPolarHBondContact O-CB 3.26Å; Y98-A102 PolarHBondContact O-N 3.26Å; A102-S104 VanDerWaalsContact C-N 3.35Å; A102-S104 PolarHBondContact O-N 2.89Å; A102-L105 PolarHBondContact O-N 3.33Å; A102-R106 WeakPolarHBondContact O-CB 3.48Å; A102-R106 VanDerWaalsContact O-CG 3.27Å; A102-R106 WeakPolarHBondContact O-CG 3.42Å; A102-R106 PolarHBondContact O-N 3.38Å; A102-L138 HydrophobicContact CB-CD1 3.88Å; A102-L138 HydrophobicContact CB-CD2 3.73Å; A102-L138 HydrophobicContact CB-CG 4.49Å
103K88.5Confident86.8Confident23 Ų2348.3 Ų48.310%0.128%0.281CS..Hα-helixtrans-56-48.3172.3179178.6179.9160.70111.9P99 V101 L105 R106 N107 L133 L138P99-K103 WeakPolarHBondContact O-CB 3.3Å; P99-K103 PolarHBondContact O-N 3.34Å; V101-K103 PolarHBondContact O-N 2.96Å; K103-L105 VanDerWaalsContact C-N 3.3Å; K103-L105 PolarHBondContact O-N 3.39Å; K103-R106 WeakPolarHBondContact O-CB 3.34Å; K103-R106 PolarHBondContact O-N 3.16Å; K103-N107 PolarHBondContact O-N 3.48Å; K103-L133 HydrophobicContact CD-CB 4.13Å; K103-L133 HydrophobicContact CD-CD2 4.12Å; K103-L133 WeakPolarHBondContact CD-O 3.32Å; K103-L133 VanDerWaalsContact CE-O 3.3Å; K103-L133 WeakPolarHBondContact CE-O 3.37Å; K103-L133 PolarHBondContact NZ-O 3.06Å; K103-L138 HydrophobicContact CB-CD1 4.19Å
104S85.8Confident85.6Confident12 Ų1245.3 Ų45.38%0.08427%0.273CS..Hα-helixtrans-59.9-42.6-179.9-510000111L100 V101 A102 N107 I108L100-S104 PolarHBondContact O-N 3.38Å; L100-S104 VanDerWaalsContact O-N 3.11Å; L100-S104 PolarHBondContact O-OG 3.15Å; V101-S104 WeakPolarHBondContact O-CB 3.3Å; V101-S104 PolarHBondContact O-N 3.5Å; V101-S104 VanDerWaalsContact O-N 3.08Å; A102-S104 VanDerWaalsContact C-N 3.35Å; A102-S104 PolarHBondContact O-N 2.89Å; S104-N107 PolarHBondContact O-N 3.31Å; S104-I108 WeakPolarHBondContact O-CD1 3.03Å; S104-I108 VanDerWaalsContact O-CG1 3.29Å; S104-I108 WeakPolarHBondContact O-CG1 3.32Å; S104-I108 PolarHBondContact O-N 3.43Å
105L87.8Confident84.3Confident21 Ų2147.7 Ų47.711%0.1129%0.287CS..Hα-helixtrans-68.7-34.8177.6-64.3173.1000112.6Y38 M60 W73 V101 A102 K103 A109Y38-L105 WeakPolarHBondContact OH-CD1 3.46Å; M60-L105 HydrophobicContact CE-CD2 4.4Å; M60-L105 HydrophobicContact SD-CD2 4.04Å; W73-L105 HydrophobicContact CH2-CD1 4.07Å; W73-L105 HydrophobicContact CZ3-CD1 4.33Å; V101-L105 HydrophobicContact CG1-CD1 3.89Å; V101-L105 HydrophobicContact CG1-CG 4.3Å; V101-L105 VanDerWaalsContact O-CG 3.31Å; V101-L105 WeakPolarHBondContact O-CG 3.34Å; V101-L105 PolarHBondContact O-N 2.96Å; A102-L105 PolarHBondContact O-N 3.33Å; K103-L105 VanDerWaalsContact C-N 3.3Å; K103-L105 PolarHBondContact O-N 3.39Å; L105-A109 WeakPolarHBondContact O-CB 3.37Å; L105-A109 PolarHBondContact O-N 3.31Å
106R89.9Confident82.8Confident38 Ų3852 Ų5214%0.14331%0.306CS..Hα-helixtrans-64.7-44.4172.8-73172.6-173-162.50.9111.5L50 D51 A102 K103 A109 A110 H135 D137L50-R106 PolarHBondContact O-NH2 2.86Å; D51-R106 IonicContact OD1-CZ 3.9Å; D51-R106 IonicContact OD1-NE 3.68Å; D51-R106 PolarHBondContact OD1-NE 2.93Å; D51-R106 IonicContact OD1-NH2 3.95Å; D51-R106 PolarHBondContact OD1-NH2 2.99Å; D51-R106 IonicContact OD2-NH2 3.39Å; A102-R106 WeakPolarHBondContact O-CB 3.48Å; A102-R106 VanDerWaalsContact O-CG 3.27Å; A102-R106 WeakPolarHBondContact O-CG 3.42Å; A102-R106 PolarHBondContact O-N 3.38Å; K103-R106 WeakPolarHBondContact O-CB 3.34Å; K103-R106 PolarHBondContact O-N 3.16Å; R106-A109 PolarHBondContact O-N 2.96Å; R106-A110 PolarHBondContact O-N 3.35Å; R106-H135 PolarHBondContact NH1-ND1 2.82Å; R106-D137 IonicContact CZ-OD1 3.43Å; R106-D137 IonicContact CZ-OD2 2.94Å; R106-D137 VanDerWaalsContact CZ-OD2 3.31Å; R106-D137 IonicContact NH1-OD1 2.7Å; R106-D137 PolarHBondContact NH1-OD1 3.5Å; R106-D137 IonicContact NH1-OD2 3.6Å; R106-D137 PolarHBondContact NH1-OD2 3.48Å; R106-D137 IonicContact NH2-OD1 3.24Å; R106-D137 IonicContact NH2-OD2 3.35Å; R106-D137 PolarHBondContact NH2-OD2 3.36Å
107N83.1Confident81.3Confident18 Ų1850.8 Ų50.810%0.09631%0.312CS..Hα-helixtrans-60.8-48.6176.3-76.4-4.5000111.4K103 S104 A109 A110 G111 K112 D113 E116K103-N107 PolarHBondContact O-N 3.48Å; S104-N107 PolarHBondContact O-N 3.31Å; N107-A109 VanDerWaalsContact C-N 3.29Å; N107-A109 PolarHBondContact O-N 3.01Å; N107-A110 CarbonylContact O-C 3.59Å; N107-A110 WeakPolarHBondContact O-CA 3.42Å; N107-A110 PolarHBondContact O-N 3.42Å; N107-G111 PolarHBondContact O-N 3.16Å; N107-K112 HydrophobicContact CB-CB 4.06Å; N107-K112 WeakPolarHBondContact O-CB 3.23Å; N107-K112 PolarHBondContact O-N 3.48Å; N107-D113 WeakPolarHBondContact CB-O 3.45Å; N107-D113 PolarHBondContact ND2-O 3.43Å; N107-E116 PolarHBondContact ND2-O 2.97Å
108I80.3Confident79.7Confident93 Ų9349 Ų4948%0.47730%0.301SS..Hα-helixtrans-56.3-45.6176.6-69162.9000110.8S104 A110 G111 P114S104-I108 WeakPolarHBondContact O-CD1 3.03Å; S104-I108 VanDerWaalsContact O-CG1 3.29Å; S104-I108 WeakPolarHBondContact O-CG1 3.32Å; S104-I108 PolarHBondContact O-N 3.43Å; I108-A110 PolarHBondContact O-N 3.16Å; I108-G111 PolarHBondContact O-N 2.94Å; I108-P114 HydrophobicContact CD1-CB 3.99Å; I108-P114 HydrophobicContact CD1-CG 3.9Å; I108-P114 HydrophobicContact CG1-CB 3.93Å; I108-P114 HydrophobicContact CG1-CG 3.64Å
109A80.4Confident77.5Confident62 Ų6259.3 Ų59.351%0.51234%0.34SS..Hα-helixtrans-62.8-28.8178.300000112.9R56 L105 R106 N107 G111R56-A109 HydrophobicContact CG-CB 4.27Å; L105-A109 WeakPolarHBondContact O-CB 3.37Å; L105-A109 PolarHBondContact O-N 3.31Å; R106-A109 PolarHBondContact O-N 2.96Å; N107-A109 VanDerWaalsContact C-N 3.29Å; N107-A109 PolarHBondContact O-N 3.01Å; A109-G111 VanDerWaalsContact C-N 3.31Å
110A83.5Confident75.1Confident67 Ų6768 Ų6855%0.55438%0.38SS*.THydrogen-bonded Turntrans-85.53.6174.700000114R106 N107 I108 K112R106-A110 PolarHBondContact O-N 3.35Å; N107-A110 CarbonylContact O-C 3.59Å; N107-A110 WeakPolarHBondContact O-CA 3.42Å; N107-A110 PolarHBondContact O-N 3.42Å; I108-A110 PolarHBondContact O-N 3.16Å; A110-K112 VanDerWaalsContact C-N 3.28Å; A110-K112 HydrophobicContact CB-CD 4.43Å; A110-K112 HydrophobicContact CB-CG 4.3Å; A110-K112 PolarHBondContact O-N 3Å
111G78.1Confident72.5Confident75 Ų7569.1 Ų69.177%0.77339%0.392SS*.THydrogen-bonded Turntrans71.920.4-176.600000114N107 I108 A109N107-G111 PolarHBondContact O-N 3.16Å; I108-G111 PolarHBondContact O-N 2.94Å; A109-G111 VanDerWaalsContact C-N 3.31Å
112K73.1Confident70.3Confident110 Ų11075.8 Ų75.848%0.47844%0.437SS..SBendtrans-98.7163.9-179.2-72.3-173-178.5-169.50111.9N107 A110 E116N107-K112 HydrophobicContact CB-CB 4.06Å; N107-K112 WeakPolarHBondContact O-CB 3.23Å; N107-K112 PolarHBondContact O-N 3.48Å; A110-K112 VanDerWaalsContact C-N 3.28Å; A110-K112 HydrophobicContact CB-CD 4.43Å; A110-K112 HydrophobicContact CB-CG 4.3Å; A110-K112 PolarHBondContact O-N 3Å; K112-E116 VanDerWaalsContact CB-OE2 3.23Å; K112-E116 WeakPolarHBondContact CB-OE2 3.2Å; K112-E116 WeakPolarHBondContact CG-OE2 3.44Å
113D68Low67.8Low94 Ų9478 Ų7850%0.50346%0.459SS..  trans-62.6130.4174.1-175.1-54.6000109.6N107 L115 E116N107-D113 WeakPolarHBondContact CB-O 3.45Å; N107-D113 PolarHBondContact ND2-O 3.43Å; D113-L115 PolarHBondContact O-N 3.23Å; D113-L115 VanDerWaalsContact O-N 3.14Å; D113-L115 WeakPolarHBondContact OD1-CA 3.46Å; D113-L115 WeakPolarHBondContact OD1-CB 2.98Å; D113-L115 PolarHBondContact OD1-N 3.23Å; D113-E116 HydrophobicContact CB-CB 4.08Å; D113-E116 PolarHBondContact N-OE2 3.49Å; D113-E116 WeakPolarHBondContact O-CB 3.37Å; D113-E116 PolarHBondContact O-N 3.02Å
114P70.3Confident65.8Low52 Ų5284.1 Ų84.134%0.33850%0.499SS..THydrogen-bonded Turntrans-56.6-29.6180-17.923.9000113.9I108I108-P114 HydrophobicContact CD1-CB 3.99Å; I108-P114 HydrophobicContact CD1-CG 3.9Å; I108-P114 HydrophobicContact CG1-CB 3.93Å; I108-P114 HydrophobicContact CG1-CG 3.64Å
115L69.5Low63.5Low86 Ų8688.1 Ų88.145%0.4553%0.532SS..THydrogen-bonded Turntrans-96.45179.3-53.5178.9000112.1D113 G117 Q118D113-L115 PolarHBondContact O-N 3.23Å; D113-L115 VanDerWaalsContact O-N 3.14Å; D113-L115 WeakPolarHBondContact OD1-CA 3.46Å; D113-L115 WeakPolarHBondContact OD1-CB 2.98Å; D113-L115 PolarHBondContact OD1-N 3.23Å; L115-G117 PolarHBondContact O-N 2.98Å; L115-G117 VanDerWaalsContact O-N 3.07Å; L115-Q118 HydrophobicContact CB-CB 4.5Å; L115-Q118 VanDerWaalsContact CD2-OE1 3.26Å; L115-Q118 WeakPolarHBondContact O-CA 3.43Å; L115-Q118 WeakPolarHBondContact O-CB 3.35Å; L115-Q118 PolarHBondContact O-N 3.35Å
116E61.5Low61.4Low95 Ų9591.4 Ų91.444%0.44455%0.547SS..THydrogen-bonded Turntrans-57.2117.9178.1-159.1178.1144.300110.3N107 K112 D113N107-E116 PolarHBondContact ND2-O 2.97Å; K112-E116 VanDerWaalsContact CB-OE2 3.23Å; K112-E116 WeakPolarHBondContact CB-OE2 3.2Å; K112-E116 WeakPolarHBondContact CG-OE2 3.44Å; D113-E116 HydrophobicContact CB-CB 4.08Å; D113-E116 PolarHBondContact N-OE2 3.49Å; D113-E116 WeakPolarHBondContact O-CB 3.37Å; D113-E116 PolarHBondContact O-N 3.02Å
117G58.9Low59.2Low62 Ų6298 Ų9864%0.63958%0.581SS**THydrogen-bonded Turntrans842.1-17500000115.5L115L115-G117 PolarHBondContact O-N 2.98Å; L115-G117 VanDerWaalsContact O-N 3.07Å
118Q57.7Low57.1Low48 Ų48106.1 Ų106.122%0.22462%0.618CS.*  trans-93.686.1164.6-67.4-175.5-300108.8L115 H120L115-Q118 HydrophobicContact CB-CB 4.5Å; L115-Q118 VanDerWaalsContact CD2-OE1 3.26Å; L115-Q118 WeakPolarHBondContact O-CA 3.43Å; L115-Q118 WeakPolarHBondContact O-CB 3.35Å; L115-Q118 PolarHBondContact O-N 3.35Å; Q118-H120 PolarHBondContact O-N 3.19Å
119R47.5Very low55.3Low217 Ų217110.2 Ų110.282%0.81964%0.636SS**  trans-81.3118.5174.4-77.8-172.1172.4-176.9-1.1110.6C121R119-C121 PolarHBondContact O-N 2.98Å
120H41.9Very low53.7Low187 Ų187112.4 Ų112.487%0.86664%0.635SS**  trans-81.1104.9162.4-90.3-86.5000109.3Q118Q118-H120 PolarHBondContact O-N 3.19Å
121C35.1Very low52.6Low87 Ų87113.2 Ų113.259%0.58864%0.637SS**  trans-132.6120.4163.6-74.40000109.4R119 G123R119-C121 PolarHBondContact O-N 2.98Å; C121-G123 PolarHBondContact O-N 3Å
122C43.9Very low52.5Low145 Ų145113.5 Ų113.598%0.9863%0.627SS**  trans-65.8119.8164-65.60000108.9
123G39.1Very low52.8Low45 Ų45109.1 Ų109.146%0.46461%0.609SS.*SBendtrans155.9141170.600000114.6C121 A125C121-G123 PolarHBondContact O-N 3Å; G123-A125 PolarHBondContact O-N 2.7Å
124V47Very low53.6Low153 Ų153107.6 Ų107.693%0.92762%0.615SS**G310 helixtrans-591.8-175.6-1700000114.5Q126V124-Q126 PolarHBondContact O-N 3.08Å
125A37.9Very low54.4Low96 Ų96107.8 Ų107.879%0.79361%0.611SS**G310 helixtrans-75.5-0.6175.500000114.4G123G123-A125 PolarHBondContact O-N 2.7Å
126Q43.5Very low55.3Low90 Ų90107.6 Ų107.642%0.42162%0.622SS.*G310 helixtrans-84.9-0.7-168.8-83.1-164.3-45.500117.3V124 H128 H130V124-Q126 PolarHBondContact O-N 3.08Å; Q126-H128 PolarHBondContact O-N 3.33Å; Q126-H130 PolarHBondContact NE2-NE2 3.26Å; Q126-H130 PolarHBondContact O-CD2 3.36Å; Q126-H130 VanDerWaalsContact O-CD2 3.31Å
127M43.9Very low56.7Low175 Ų175105.8 Ų105.886%0.86262%0.615SS**G310 helixtrans-80.2-12.7-173-77.4-150.1165.800115.8
128H37.8Very low58.3Low189 Ų189102.8 Ų102.888%0.87559%0.585SS**SBendtrans-117-7.6-169.9-69-70.5000116.6Q126Q126-H128 PolarHBondContact O-N 3.33Å
129E42.6Very low59.8Low180 Ų180101.3 Ų101.384%0.84158%0.579SS**SBendtrans-117.64.4-178.1-74.7-174166.300114.9
130H47.8Very low61.9Low107 Ų10793.6 Ų93.650%0.49556%0.561SS.*  trans-120.276.5-169.1-66.5-41.7000114Q126Q126-H130 PolarHBondContact NE2-NE2 3.26Å; Q126-H130 PolarHBondContact O-CD2 3.36Å; Q126-H130 VanDerWaalsContact O-CD2 3.31Å
131S58.9Low64.2Low85 Ų8585 Ų8559%0.59452%0.521SS*.SBendtrans-133.5-1.1164.4-57.20000114.8
132S77.1Confident66.8Low81 Ų8184.9 Ų84.957%0.56651%0.512SS*.  trans-124.2129.6179.5-176.50000112.4G134 D139S132-G134 PolarHBondContact OG-N 3.29Å; S132-D139 WeakPolarHBondContact CA-OD1 3.28Å; S132-D139 WeakPolarHBondContact CA-OD2 3.46Å; S132-D139 VanDerWaalsContact CB-OD2 3.28Å; S132-D139 WeakPolarHBondContact CB-OD2 3.39Å; S132-D139 PolarHBondContact OG-OD2 3.1Å
133L79.5Confident69Low17 Ų1785 Ų859%0.08950%0.498CS..  trans-80.3-6168.1-64.7177.5000112P99 L100 K103 L138 D139P99-L133 HydrophobicContact CB-CD1 3.47Å; P99-L133 VanDerWaalsContact CB-CD1 3.47Å; L100-L133 HydrophobicContact CD2-CD2 3.67Å; K103-L133 HydrophobicContact CD-CB 4.13Å; K103-L133 HydrophobicContact CD-CD2 4.12Å; K103-L133 WeakPolarHBondContact CD-O 3.32Å; K103-L133 VanDerWaalsContact CE-O 3.3Å; K103-L133 WeakPolarHBondContact CE-O 3.37Å; K103-L133 PolarHBondContact NZ-O 3.06Å; L133-L138 HydrophobicContact CD1-CB 3.85Å; L133-D139 WeakPolarHBondContact CA-OD1 3.44Å; L133-D139 VanDerWaalsContact CB-OD1 3.3Å; L133-D139 WeakPolarHBondContact CB-OD1 3.2Å; L133-D139 PolarHBondContact N-OD1 3.27Å
134G83.4Confident71.5Confident62 Ų6288 Ų8864%0.63950%0.504SS*.SBendtrans86.512-174.800000113.5S132S132-G134 PolarHBondContact OG-N 3.29Å
135H87.3Confident73.6Confident56 Ų5683.5 Ų83.526%0.25948%0.478SS..  trans-140.3108.7-176.4-68.6-66.4000108.8R106 D137 L138 D139R106-H135 PolarHBondContact NH1-ND1 2.82Å; H135-D137 WeakPolarHBondContact CB-OD1 3.05Å; H135-D137 PolarHBondContact O-N 3.42Å; H135-L138 HydrophobicContact CB-CB 3.97Å; H135-L138 HydrophobicContact CB-CD1 3.88Å; H135-L138 HydrophobicContact CB-CG 3.84Å; H135-L138 PolarHBondContact O-N 2.94Å; H135-D139 PolarHBondContact O-N 2.91Å
136A89.1Confident76.3Confident82 Ų8280.9 Ų80.968%0.67845%0.449SS*.Hα-helixtrans-58.1-34.4-172.100000113.5A140A136-A140 WeakPolarHBondContact O-CB 3.42Å; A136-A140 PolarHBondContact O-N 3.32Å
137D91.3Very high78.8Confident57 Ų5778.2 Ų78.231%0.30544%0.44SS..Hα-helixtrans-67.3-43.9175.359.3-27000112.5L50 R106 H135 L141L50-D137 HydrophobicContact CD2-CB 4.17Å; R106-D137 IonicContact CZ-OD1 3.43Å; R106-D137 IonicContact CZ-OD2 2.94Å; R106-D137 VanDerWaalsContact CZ-OD2 3.31Å; R106-D137 IonicContact NH1-OD1 2.7Å; R106-D137 PolarHBondContact NH1-OD1 3.5Å; R106-D137 IonicContact NH1-OD2 3.6Å; R106-D137 PolarHBondContact NH1-OD2 3.48Å; R106-D137 IonicContact NH2-OD1 3.24Å; R106-D137 IonicContact NH2-OD2 3.35Å; R106-D137 PolarHBondContact NH2-OD2 3.36Å; H135-D137 WeakPolarHBondContact CB-OD1 3.05Å; H135-D137 PolarHBondContact O-N 3.42Å; D137-L141 WeakPolarHBondContact O-CB 3.48Å; D137-L141 PolarHBondContact O-N 3.24Å
138L91.7Very high81.3Confident0 Ų069.9 Ų69.90%040%0.399CS..Hα-helixtrans-71.5-33.6176.5-57.1-175.9000112.1P99 A102 K103 L133 H135 L141 Q142P99-L138 HydrophobicContact CB-CB 4.3Å; A102-L138 HydrophobicContact CB-CD1 3.88Å; A102-L138 HydrophobicContact CB-CD2 3.73Å; A102-L138 HydrophobicContact CB-CG 4.49Å; K103-L138 HydrophobicContact CB-CD1 4.19Å; L133-L138 HydrophobicContact CD1-CB 3.85Å; H135-L138 HydrophobicContact CB-CB 3.97Å; H135-L138 HydrophobicContact CB-CD1 3.88Å; H135-L138 HydrophobicContact CB-CG 3.84Å; H135-L138 PolarHBondContact O-N 2.94Å; L138-L141 PolarHBondContact O-N 3.46Å; L138-Q142 WeakPolarHBondContact O-CB 3.41Å; L138-Q142 PolarHBondContact O-N 3.04Å
139D90.6Very high84.2Confident17 Ų1761.8 Ų61.89%0.09136%0.362CS..Hα-helixtrans-65.9-44.6175.6-65.8-15.3000110.9S132 L133 H135 L141 Q142 Q143S132-D139 WeakPolarHBondContact CA-OD1 3.28Å; S132-D139 WeakPolarHBondContact CA-OD2 3.46Å; S132-D139 VanDerWaalsContact CB-OD2 3.28Å; S132-D139 WeakPolarHBondContact CB-OD2 3.39Å; S132-D139 PolarHBondContact OG-OD2 3.1Å; L133-D139 WeakPolarHBondContact CA-OD1 3.44Å; L133-D139 VanDerWaalsContact CB-OD1 3.3Å; L133-D139 WeakPolarHBondContact CB-OD1 3.2Å; L133-D139 PolarHBondContact N-OD1 3.27Å; H135-D139 PolarHBondContact O-N 2.91Å; D139-L141 VanDerWaalsContact C-N 3.33Å; D139-L141 PolarHBondContact O-N 3.22Å; D139-Q142 PolarHBondContact O-N 3.06Å; D139-Q143 VanDerWaalsContact O-CG 3.29Å; D139-Q143 WeakPolarHBondContact O-CG 3.17Å; D139-Q143 PolarHBondContact O-N 3.14Å
140A90.8Very high86.8Confident54 Ų5453.2 Ų53.245%0.44632%0.322SS..Hα-helixtrans-61.1-42.5173.800000111.4A136 Q142 Q143 N144A136-A140 WeakPolarHBondContact O-CB 3.42Å; A136-A140 PolarHBondContact O-N 3.32Å; A140-Q142 VanDerWaalsContact C-N 3.33Å; A140-Q142 PolarHBondContact O-N 3.37Å; A140-Q143 PolarHBondContact O-N 2.99Å; A140-N144 PolarHBondContact O-N 3.47Å
141L91Very high89.2Confident7 Ų750.5 Ų50.54%0.03731%0.31CS..Hα-helixtrans-65.7-34.5176.3-176.961000112.6L50 Y98 P99 D137 L138 D139 N144 P145 Q146 L148L50-L141 HydrophobicContact CD1-CD2 3.77Å; Y98-L141 HydrophobicContact CD1-CD2 3.88Å; P99-L141 HydrophobicContact CG-CB 4.34Å; P99-L141 HydrophobicContact CG-CD2 3.95Å; P99-L141 HydrophobicContact CG-CG 3.98Å; D137-L141 WeakPolarHBondContact O-CB 3.48Å; D137-L141 PolarHBondContact O-N 3.24Å; L138-L141 PolarHBondContact O-N 3.46Å; D139-L141 VanDerWaalsContact C-N 3.33Å; D139-L141 PolarHBondContact O-N 3.22Å; L141-N144 CarbonylContact O-C 3.3Å; L141-N144 VanDerWaalsContact O-C 3.3Å; L141-P145 WeakPolarHBondContact O-CA 3.39Å; L141-Q146 HydrophobicContact CD1-CG 3.68Å; L141-L148 HydrophobicContact CD1-CD2 4.15Å; L141-L148 HydrophobicContact CD2-CD1 4.2Å; L141-L148 HydrophobicContact CD2-CD2 4.27Å
142Q89.2Confident91Very high85 Ų8546.5 Ų46.540%0.39728%0.282SS..Hα-helixtrans-71.4-37.9176.2-172.5174.9-60.700112P99 L138 D139 A140P99-Q142 HydrophobicContact CG-CB 4.39Å; L138-Q142 WeakPolarHBondContact O-CB 3.41Å; L138-Q142 PolarHBondContact O-N 3.04Å; D139-Q142 PolarHBondContact O-N 3.06Å; A140-Q142 VanDerWaalsContact C-N 3.33Å; A140-Q142 PolarHBondContact O-N 3.37Å
143Q90.1Very high92Very high146 Ų14645 Ų4568%0.68227%0.266SS*.Hα-helixtrans-73.6-35.6177.6-70.317028.500112.3D139 A140D139-Q143 VanDerWaalsContact O-CG 3.29Å; D139-Q143 WeakPolarHBondContact O-CG 3.17Å; D139-Q143 PolarHBondContact O-N 3.14Å; A140-Q143 PolarHBondContact O-N 2.99Å
144N90.7Very high92.9Very high110 Ų11044.2 Ų44.259%0.58826%0.262SS*.SBendtrans-127.878.9178.4-170.637.5000111.1A140 L141 Q146A140-N144 PolarHBondContact O-N 3.47Å; L141-N144 CarbonylContact O-C 3.3Å; L141-N144 VanDerWaalsContact O-C 3.3Å; N144-Q146 PolarHBondContact O-N 3.23Å
145P91.8Very high93.5Very high57 Ų5744.2 Ų44.237%0.3725%0.247SC..  trans-59.3135.3178.4-24.535.2000111.8I92 L141I92-P145 HydrophobicContact CG2-CB 3.65Å; L141-P145 WeakPolarHBondContact O-CA 3.39Å
146Q94.1Very high93.9Very high41 Ų4146.1 Ų46.119%0.19225%0.254CS..  trans-144.5160.1-178.660.4-179.4-7400110.4H42 V95 L141 N144H42-Q146 PolarHBondContact CE1-NE2 3.1Å; H42-Q146 PolarHBondContact ND1-NE2 3.25Å; H42-Q146 PolarHBondContact ND1-OE1 3.16Å; H42-Q146 VanDerWaalsContact ND1-OE1 3.16Å; V95-Q146 WeakPolarHBondContact CG2-O 3.44Å; L141-Q146 HydrophobicContact CD1-CG 3.68Å; N144-Q146 PolarHBondContact O-N 3.23Å
147P96Very high94.1Very high35 Ų3543.4 Ų43.423%0.22723%0.229CC..  trans-59148.2174.6-19.531.4000110.4S43 L89 C90 I92S43-P147 WeakPolarHBondContact CB-O 3.38Å; S43-P147 PolarHBondContact N-O 3.07Å; S43-P147 WeakPolarHBondContact OG-CB 3.44Å; S43-P147 PolarHBondContact OG-O 3.13Å; L89-P147 HydrophobicContact CD1-CB 4.01Å; C90-P147 VanDerWaalsContact O-CA 3.29Å; C90-P147 WeakPolarHBondContact O-CA 3.35Å; C90-P147 WeakPolarHBondContact O-CB 3.43Å; I92-P147 HydrophobicContact CG1-CG 3.94Å
148L97.2Very high94.2Very high0 Ų042 Ų420%022%0.22CC..EExtended strand (participates in β ladder)trans-119.5150.9177.5-61.6179.4000110.5T40 L50 C90 V95 Y98 L141 F150T40-L148 HydrophobicContact CG2-CB 4.28Å; T40-L148 HydrophobicContact CG2-CD1 4.01Å; L50-L148 HydrophobicContact CD1-CD2 3.76Å; C90-L148 PolarHBondContact N-O 2.92Å; C90-L148 PolarHBondContact O-N 2.83Å; C90-L148 VanDerWaalsContact O-N 3.14Å; V95-L148 HydrophobicContact CB-CB 4.46Å; V95-L148 HydrophobicContact CB-CD1 3.87Å; V95-L148 HydrophobicContact CB-CG 4.12Å; V95-L148 HydrophobicContact CG1-CB 4.18Å; V95-L148 HydrophobicContact CG1-CD1 4.26Å; V95-L148 HydrophobicContact CG1-CG 4.38Å; V95-L148 HydrophobicContact CG2-CB 4.47Å; V95-L148 HydrophobicContact CG2-CD1 4.24Å; V95-L148 HydrophobicContact CG2-CG 4Å; Y98-L148 HydrophobicContact CD1-CD1 3.54Å; Y98-L148 HydrophobicContact CD2-CD1 4.1Å; Y98-L148 HydrophobicContact CE1-CD1 4.21Å; Y98-L148 HydrophobicContact CG-CD1 3.49Å; Y98-L148 VanDerWaalsContact CG-CD1 3.49Å; L141-L148 HydrophobicContact CD1-CD2 4.15Å; L141-L148 HydrophobicContact CD2-CD1 4.2Å; L141-L148 HydrophobicContact CD2-CD2 4.27Å; L148-F150 HydrophobicContact CB-CE1 4.48Å; L148-F150 HydrophobicContact CB-CZ 4.22Å; L148-F150 HydrophobicContact CD1-CZ 4.33Å
149V97.4Very high93.9Very high18 Ų1844.9 Ų44.911%0.10924%0.241CC..EExtended strand (participates in β ladder)trans-105.6121.8173.5-179.70000108.6T40 L41 Q87 F88 L89T40-V149 WeakPolarHBondContact CA-O 3.49Å; L41-V149 HydrophobicContact CB-CB 4.36Å; L41-V149 HydrophobicContact CD1-CB 4.33Å; L41-V149 HydrophobicContact CD1-CG1 4.18Å; L41-V149 PolarHBondContact N-O 2.99Å; L41-V149 PolarHBondContact O-N 3.35Å; Q87-V149 HydrophobicContact CG-CG1 3.44Å; Q87-V149 VanDerWaalsContact CG-CG1 3.44Å; F88-V149 CarbonylContact O-C 3.43Å; F88-V149 VanDerWaalsContact O-CA 3.31Å; F88-V149 WeakPolarHBondContact O-CA 3.29Å; L89-V149 HydrophobicContact CD1-CG2 3.81Å
150F97.9Very high93.4Very high0 Ų046 Ų460%025%0.249CC..EExtended strand (participates in β ladder)trans-102.7118171.2-56.8-63.6000109.7T40 L70 V72 W73 I76 Q87 F88 C90 V95 Y98 L148 M152T40-F150 HydrophobicContact CG2-CD1 3.77Å; T40-F150 HydrophobicContact CG2-CE1 3.51Å; T40-F150 WeakPolarHBondContact OG1-CD1 3.43Å; L70-F150 HydrophobicContact CD2-CZ 4.35Å; V72-F150 HydrophobicContact CG1-CE2 4.33Å; W73-F150 HydrophobicContact CZ2-CD1 4.36Å; W73-F150 HydrophobicContact CZ2-CE1 4.23Å; W73-F150 AromaticContact NE1-CD1 3.57Å; W73-F150 AromaticContact NE1-CD2 3.97Å; W73-F150 AromaticContact NE1-CE1 3.34Å; W73-F150 VanDerWaalsContact NE1-CE1 3.34Å; W73-F150 AromaticContact NE1-CE2 3.76Å; W73-F150 AromaticContact NE1-CG 3.89Å; W73-F150 AromaticContact NE1-CZ 3.44Å; I76-F150 HydrophobicContact CD1-CB 4.31Å; I76-F150 HydrophobicContact CD1-CD2 3.9Å; I76-F150 HydrophobicContact CD1-CG 4.36Å; Q87-F150 CarbonylContact C-O 3.59Å; Q87-F150 WeakPolarHBondContact CA-O 3.5Å; F88-F150 HydrophobicContact CB-CB 4.39Å; F88-F150 PolarHBondContact N-O 3.28Å; F88-F150 PolarHBondContact O-N 2.88Å; C90-F150 HydrophobicContact CB-CD2 4.45Å; C90-F150 HydrophobicContact CB-CE2 4.1Å; V95-F150 HydrophobicContact CG1-CE2 3.81Å; V95-F150 HydrophobicContact CG1-CZ 3.81Å; Y98-F150 AromaticContact CD2-CE1 3.83Å; Y98-F150 HydrophobicContact CD2-CE1 3.83Å; Y98-F150 HydrophobicContact CD2-CZ 4.06Å; Y98-F150 AromaticContact CE2-CE1 3.72Å; Y98-F150 HydrophobicContact CE2-CE1 3.72Å; Y98-F150 HydrophobicContact CE2-CZ 4.4Å; L148-F150 HydrophobicContact CB-CE1 4.48Å; L148-F150 HydrophobicContact CB-CZ 4.22Å; L148-F150 HydrophobicContact CD1-CZ 4.33Å; F150-M152 HydrophobicContact CB-CE 4.03Å; F150-M152 HydrophobicContact CB-CG 4.38Å; F150-M152 HydrophobicContact CG-CE 4.33Å
151H97.4Very high92.4Very high51 Ų5147 Ų4724%0.23626%0.264CS..EExtended strand (participates in β ladder)trans-99.1114.7168.6-176.5-145.2000108.7I18 Y38 R39 L41 I85I18-H151 VanDerWaalsContact CD1-NE2 3.31Å; I18-H151 WeakPolarHBondContact CD1-NE2 3.41Å; Y38-H151 CarbonylContact C-O 3.59Å; Y38-H151 VanDerWaalsContact CA-O 3.27Å; Y38-H151 WeakPolarHBondContact CA-O 3.22Å; R39-H151 HydrophobicContact CB-CB 4.36Å; R39-H151 PolarHBondContact N-O 3Å; R39-H151 PolarHBondContact O-N 3.21Å; L41-H151 HydrophobicContact CD1-CB 4.33Å; I85-H151 WeakPolarHBondContact CG2-NE2 3.35Å
152M98.1Very high91.7Very high1 Ų151.2 Ų51.21%0.00529%0.29CS..EExtended strand (participates in β ladder)trans-121138.3-173.6-64.9-175168.200111.3F36 H37 W73 I76 V77 M80 I85 A86 F88 F150F36-M152 HydrophobicContact CD2-CG 4.39Å; F36-M152 HydrophobicContact CD2-SD 4.28Å; F36-M152 HydrophobicContact CE2-CE 3.88Å; F36-M152 HydrophobicContact CE2-SD 4.11Å; H37-M152 CarbonylContact O-C 3.57Å; H37-M152 VanDerWaalsContact O-CA 3.27Å; H37-M152 WeakPolarHBondContact O-CA 3.38Å; W73-M152 HydrophobicContact CD2-CE 3.99Å; W73-M152 HydrophobicContact CG-CE 4.03Å; W73-M152 HydrophobicContact CZ2-CE 4.42Å; I76-M152 HydrophobicContact CD1-CE 3.56Å; I76-M152 HydrophobicContact CD1-SD 3.76Å; I76-M152 HydrophobicContact CG1-CE 4.2Å; I76-M152 HydrophobicContact CG1-SD 3.98Å; V77-M152 HydrophobicContact CG2-SD 4.05Å; M80-M152 HydrophobicContact CE-CB 3.98Å; M80-M152 WeakPolarHBondContact CE-O 3.43Å; M80-M152 HydrophobicContact SD-CB 3.9Å; M80-M152 HydrophobicContact SD-SD 4.47Å; I85-M152 WeakPolarHBondContact CA-O 2.81Å; A86-M152 PolarHBondContact N-O 2.84Å; A86-M152 PolarHBondContact O-N 3.28Å; F88-M152 HydrophobicContact CD2-SD 4.42Å; F88-M152 HydrophobicContact CE2-CB 4.32Å; F88-M152 HydrophobicContact CE2-SD 4.31Å; F150-M152 HydrophobicContact CB-CE 4.03Å; F150-M152 HydrophobicContact CB-CG 4.38Å; F150-M152 HydrophobicContact CG-CE 4.33Å
153E97.9Very high91Very high50 Ų5048.2 Ų48.223%0.23428%0.276CS..EExtended strand (participates in β ladder)trans-116.4112.3168.2173.5-177-14700107.9F36 H37 R54 E84 I85 L155F36-E153 CarbonylContact C-O 3.51Å; F36-E153 WeakPolarHBondContact CA-O 3.48Å; F36-E153 WeakPolarHBondContact CB-O 3.36Å; H37-E153 HydrophobicContact CB-CB 4.39Å; H37-E153 IonicContact CD2-OE2 3.54Å; H37-E153 PolarHBondContact N-O 3.41Å; H37-E153 PolarHBondContact O-N 3.46Å; R54-E153 IonicContact CZ-OE2 2.73Å; R54-E153 IonicContact NE-OE2 3.69Å; R54-E153 IonicContact NH2-OE2 3.51Å; R54-E153 PolarHBondContact NH2-OE2 2.92Å; E84-E153 WeakPolarHBondContact O-CA 3.39Å; I85-E153 HydrophobicContact CG1-CB 4.17Å; I85-E153 HydrophobicContact CG1-CG 4.03Å; E153-L155 HydrophobicContact CG-CD2 3.9Å; E153-L155 PolarHBondContact O-N 3.39Å
154M97.8Very high89.5Confident0 Ų048.9 Ų48.90%028%0.279CS..EExtended strand (participates in β ladder)trans-74.5118.2175.2-177.964.473.800109.4F28 A34 F36 V77 M80 R81 G83 E84 V157F28-M154 HydrophobicContact CZ-CE 4.43Å; A34-M154 HydrophobicContact CB-CE 4.1Å; A34-M154 HydrophobicContact CB-SD 4.14Å; F36-M154 HydrophobicContact CB-SD 4.29Å; V77-M154 HydrophobicContact CG1-CE 3.69Å; M80-M154 HydrophobicContact CB-CB 4.32Å; M80-M154 HydrophobicContact CB-CE 3.81Å; M80-M154 HydrophobicContact CE-CB 3.98Å; M80-M154 HydrophobicContact SD-CE 4.48Å; R81-M154 VanDerWaalsContact O-CB 3.24Å; R81-M154 WeakPolarHBondContact O-CB 3.4Å; R81-M154 WeakPolarHBondContact O-CG 3.46Å; G83-M154 WeakPolarHBondContact CA-O 3.44Å; G83-M154 PolarHBondContact N-O 3.43Å; E84-M154 PolarHBondContact O-N 2.89Å; M154-V157 HydrophobicContact CE-CG2 4.18Å; M154-V157 HydrophobicContact CG-CG2 4.03Å; M154-V157 HydrophobicContact SD-CG2 3.67Å
155L96.3Very high88Confident62 Ų6245.5 Ų45.533%0.32526%0.259SS..EExtended strand (participates in β ladder)trans-92.1-45.7-179.6-58.4177.9000111.7T35 P59 E82 E153T35-L155 HydrophobicContact CG2-CD1 4.38Å; T35-L155 WeakPolarHBondContact O-CA 3.41Å; T35-L155 VanDerWaalsContact O-CB 3.32Å; T35-L155 WeakPolarHBondContact O-CB 3.19Å; T35-L155 PolarHBondContact O-N 3.24Å; P59-L155 HydrophobicContact CB-CD1 3.76Å; P59-L155 HydrophobicContact CG-CD1 4.25Å; E82-L155 WeakPolarHBondContact CG-O 3.28Å; E153-L155 HydrophobicContact CG-CD2 3.9Å; E153-L155 PolarHBondContact O-N 3.39Å
156K94.9Very high86.4Confident96 Ų9647 Ų4742%0.41727%0.265SS..EExtended strand (participates in β ladder)trans-154.8141.9-172.7-160.9-177.3-175.2-168.30111.3T35 E158T35-K156 PolarHBondContact N-O 3.47Å; T35-K156 PolarHBondContact O-N 2.97Å; T35-K156 VanDerWaalsContact O-N 3.09Å; K156-E158 HydrophobicContact CD-CG 3.74Å; K156-E158 WeakPolarHBondContact CE-OE1 3.37Å; K156-E158 HydrophobicContact CG-CG 3.98Å; K156-E158 VanDerWaalsContact NZ-CD 3.29Å; K156-E158 IonicContact NZ-OE1 2.66Å; K156-E158 PolarHBondContact NZ-OE1 2.89Å; K156-E158 IonicContact NZ-OE2 3.86Å
157V94.1Very high84.3Confident25 Ų2547 Ų4715%0.15227%0.268CS..EExtended strand (participates in β ladder)trans-121.7124.5168.2-175.10000109.4P26 F28 T32 K33 E82 M154P26-V157 HydrophobicContact CB-CG1 3.95Å; P26-V157 HydrophobicContact CG-CB 4.1Å; P26-V157 HydrophobicContact CG-CG1 3.91Å; P26-V157 HydrophobicContact CG-CG2 4.16Å; F28-V157 HydrophobicContact CD1-CG1 4.4Å; F28-V157 HydrophobicContact CE1-CG1 3.93Å; F28-V157 HydrophobicContact CE1-CG2 4.14Å; F28-V157 HydrophobicContact CZ-CG1 4.45Å; F28-V157 HydrophobicContact CZ-CG2 4.19Å; T32-V157 HydrophobicContact CG2-CG1 3.52Å; K33-V157 WeakPolarHBondContact O-CA 3.43Å; E82-V157 PolarHBondContact OE2-N 3.29Å; E82-V157 VanDerWaalsContact OE2-N 3.12Å; M154-V157 HydrophobicContact CE-CG2 4.18Å; M154-V157 HydrophobicContact CG-CG2 4.03Å; M154-V157 HydrophobicContact SD-CG2 3.67Å
158E92.5Very high82.2Confident26 Ų2654.7 Ų54.712%0.12129%0.293CS..EExtended strand (participates in β ladder)trans-119.7127.1-176.4-61-175.2101.300110.2K33 K156 Y163K33-E158 HydrophobicContact CB-CB 4.45Å; K33-E158 WeakPolarHBondContact CE-OE2 3.22Å; K33-E158 PolarHBondContact N-O 3.42Å; K33-E158 IonicContact NZ-OE2 2.68Å; K33-E158 PolarHBondContact NZ-OE2 3.47Å; K33-E158 PolarHBondContact O-N 2.99Å; K156-E158 HydrophobicContact CD-CG 3.74Å; K156-E158 WeakPolarHBondContact CE-OE1 3.37Å; K156-E158 HydrophobicContact CG-CG 3.98Å; K156-E158 VanDerWaalsContact NZ-CD 3.29Å; K156-E158 IonicContact NZ-OE1 2.66Å; K156-E158 PolarHBondContact NZ-OE1 2.89Å; K156-E158 IonicContact NZ-OE2 3.86Å; E158-Y163 HydrophobicContact CB-CD1 3.94Å; E158-Y163 HydrophobicContact CB-CG 4.46Å
159S85.4Confident80.1Confident61 Ų6155.5 Ų55.543%0.42730%0.299SS..  trans-65.3152.3177.3-58.40000111.4G161 T162 Y163S159-G161 PolarHBondContact O-N 3.2Å; S159-T162 PolarHBondContact N-OG1 3.1Å; S159-T162 PolarHBondContact O-N 3.08Å; S159-T162 VanDerWaalsContact O-N 3.09Å; S159-T162 PolarHBondContact O-OG1 3.41Å; S159-Y163 WeakPolarHBondContact O-CD1 3.29Å
160P80.8Confident78.5Confident42 Ų4255.7 Ų55.727%0.27330%0.299SS..THydrogen-bonded Turntrans-49.3132172.4-20.225.4000111.5Q29 D30 T162Q29-P160 HydrophobicContact CG-CG 3.86Å; D30-P160 WeakPolarHBondContact O-CG 3.38Å; P160-T162 VanDerWaalsContact C-N 3.34Å; P160-T162 PolarHBondContact O-N 3.49Å
161G69.9Low77.3Confident74 Ų7458.3 Ų58.376%0.76332%0.316SS*.THydrogen-bonded Turntrans84.3-8.2179.200000116S159S159-G161 PolarHBondContact O-N 3.2Å
162T76.1Confident76.3Confident95 Ų9558.6 Ų58.658%0.58332%0.319SS*.SBendtrans-89.8-5.6174.6700000113.4S159 P160S159-T162 PolarHBondContact N-OG1 3.1Å; S159-T162 PolarHBondContact O-N 3.08Å; S159-T162 VanDerWaalsContact O-N 3.09Å; S159-T162 PolarHBondContact O-OG1 3.41Å; P160-T162 VanDerWaalsContact C-N 3.34Å; P160-T162 PolarHBondContact O-N 3.49Å
163Y74.1Confident75.3Confident22 Ų2264.8 Ų64.89%0.08635%0.348CS..SBendtrans-128.1151.2179.568.3-84.3000110.5G31 K33 I63 E158 S159 Q165G31-Y163 WeakPolarHBondContact O-CE1 3.3Å; G31-Y163 PolarHBondContact O-OH 2.93Å; K33-Y163 HydrophobicContact CB-CD1 3.93Å; K33-Y163 HydrophobicContact CB-CD2 4.15Å; K33-Y163 HydrophobicContact CB-CE1 3.55Å; K33-Y163 HydrophobicContact CB-CE2 3.74Å; K33-Y163 HydrophobicContact CB-CG 4.22Å; K33-Y163 VanDerWaalsContact CB-CZ 3.45Å; K33-Y163 HydrophobicContact CD-CD2 3.66Å; K33-Y163 HydrophobicContact CD-CE2 3.69Å; K33-Y163 HydrophobicContact CD-CG 4.21Å; K33-Y163 HydrophobicContact CG-CE2 4.21Å; I63-Y163 HydrophobicContact CD1-CE2 4.18Å; I63-Y163 HydrophobicContact CG1-CE2 4.48Å; I63-Y163 WeakPolarHBondContact CG2-OH 3.45Å; E158-Y163 HydrophobicContact CB-CD1 3.94Å; E158-Y163 HydrophobicContact CB-CG 4.46Å; S159-Y163 WeakPolarHBondContact O-CD1 3.29Å; Y163-Q165 HydrophobicContact CD2-CG 3.89Å; Y163-Q165 HydrophobicContact CE2-CB 4.29Å; Y163-Q165 HydrophobicContact CE2-CG 3.16Å; Y163-Q165 PolarHBondContact O-N 3.49Å; Y163-Q165 VanDerWaalsContact O-N 3.15Å; Y163-Q165 PolarHBondContact OH-NE2 3.28Å
164Q60.1Low74.2Confident161 Ų16164.7 Ų64.775%0.75235%0.347SS*.  trans-72.7107.3173.5-70.3-177.3-5.600108.2
165Q59.1Low73.1Confident38 Ų3865.1 Ų65.118%0.17835%0.349CS..  trans-76136.9169.3-80.2-178.9-13.600109.2I63 Y163 M170I63-Q165 HydrophobicContact CD1-CG 4.47Å; Y163-Q165 HydrophobicContact CD2-CG 3.89Å; Y163-Q165 HydrophobicContact CE2-CB 4.29Å; Y163-Q165 HydrophobicContact CE2-CG 3.16Å; Y163-Q165 PolarHBondContact O-N 3.49Å; Y163-Q165 VanDerWaalsContact O-N 3.15Å; Y163-Q165 PolarHBondContact OH-NE2 3.28Å; Q165-M170 HydrophobicContact CB-CG 4.13Å
166D56.7Low72.4Confident90 Ų9064.6 Ų64.648%0.48135%0.354SS..  trans-63.3137.3168.3-71-43.8000109.9W168 A169D166-W168 HydrophobicContact CB-CD2 4.3Å; D166-W168 HydrophobicContact CB-CG 4.13Å; D166-W168 HydrophobicContact CB-CZ2 4.28Å; D166-W168 PolarHBondContact O-N 2.97Å; D166-W168 PolarHBondContact OD2-NE1 2.7Å; D166-A169 PolarHBondContact O-N 3.06Å
167P51.3Low71.9Confident40 Ų4067.8 Ų67.826%0.2637%0.368SS..THydrogen-bonded Turntrans-53.9-20.5-178.7-29.635.7000115.9M170 K175P167-M170 HydrophobicContact CB-CE 4.34Å; P167-K175 WeakPolarHBondContact O-CE 3.32Å; P167-K175 PolarHBondContact O-NZ 3.03Å
168W51.8Low71.3Confident197 Ų19767.6 Ų67.675%0.74637%0.368SS*.THydrogen-bonded Turntrans-81.7-18.317960.9-97000114.1D166D166-W168 HydrophobicContact CB-CD2 4.3Å; D166-W168 HydrophobicContact CB-CG 4.13Å; D166-W168 HydrophobicContact CB-CZ2 4.28Å; D166-W168 PolarHBondContact O-N 2.97Å; D166-W168 PolarHBondContact OD2-NE1 2.7Å
169A52.1Low71.2Confident17 Ų1767 Ų6714%0.1437%0.366CS..THydrogen-bonded Turntrans-94.9-8.2-177.300000114.1I63 K66 D166I63-A169 HydrophobicContact CD1-CB 4.09Å; K66-A169 WeakPolarHBondContact CE-O 3.43Å; D166-A169 PolarHBondContact O-N 3.06Å
170M63.6Low71.5Confident21 Ų2167.2 Ų67.210%0.10337%0.366CS..SBendtrans-80.7144.2177.8-74.2-173.7-79.800111.9Q165 P167 E174 K175 A178Q165-M170 HydrophobicContact CB-CG 4.13Å; P167-M170 HydrophobicContact CB-CE 4.34Å; M170-E174 WeakPolarHBondContact CA-OE2 3.47Å; M170-E174 HydrophobicContact CB-CB 3.98Å; M170-E174 HydrophobicContact CG-CB 4.21Å; M170-K175 HydrophobicContact CB-CD 4.46Å; M170-K175 HydrophobicContact CB-CG 3.62Å; M170-K175 HydrophobicContact CE-CG 4.32Å; M170-K175 WeakPolarHBondContact O-CE 3.43Å; M170-K175 PolarHBondContact O-NZ 3.2Å; M170-K175 HydrophobicContact SD-CG 4.45Å; M170-A178 HydrophobicContact SD-CB 3.99Å
171T73.9Confident72Confident56 Ų5670.7 Ų70.734%0.34438%0.382SS..  trans-68.3168.716471.40000110.5E173 E174 K175T171-E173 VanDerWaalsContact C-N 3.34Å; T171-E173 PolarHBondContact O-N 3.34Å; T171-E174 PolarHBondContact N-OE2 3.34Å; T171-E174 PolarHBondContact O-N 3.47Å; T171-E174 VanDerWaalsContact OG1-CG 3.31Å; T171-E174 WeakPolarHBondContact OG1-CG 3.34Å; T171-E174 PolarHBondContact OG1-N 3.47Å; T171-E174 PolarHBondContact OG1-OE2 2.66Å; T171-K175 WeakPolarHBondContact O-CG 3.17Å; T171-K175 PolarHBondContact O-N 3.16Å
172D76.3Confident72.8Confident56 Ų5668.7 Ų68.730%0.29935%0.354SS..Hα-helixtrans-65.3-40.2179.9-67-16.8000111.7K175 A176 L212 K215D172-K175 PolarHBondContact O-N 3.32Å; D172-A176 PolarHBondContact O-N 3.41Å; D172-L212 HydrophobicContact CB-CD2 3.48Å; D172-L212 VanDerWaalsContact CB-CD2 3.48Å; D172-L212 VanDerWaalsContact CG-CD2 3.45Å; D172-L212 WeakPolarHBondContact OD1-CD2 3.44Å; D172-K215 IonicContact OD1-NZ 3.95Å; D172-K215 PolarHBondContact OD1-NZ 3.26Å; D172-K215 IonicContact OD2-NZ 2.67Å; D172-K215 PolarHBondContact OD2-NZ 3.3Å
173E77.3Confident73.7Confident132 Ų13266.5 Ų66.562%0.61734%0.337SS*.Hα-helixtrans-64.8-38.5173.4-70.181.2-171.300113T171 A176 K177T171-E173 VanDerWaalsContact C-N 3.34Å; T171-E173 PolarHBondContact O-N 3.34Å; E173-A176 PolarHBondContact O-N 2.79Å; E173-K177 WeakPolarHBondContact O-CG 3.42Å; E173-K177 PolarHBondContact O-N 2.66Å; E173-K177 VanDerWaalsContact O-N 3.09Å
174E74.3Confident74.6Confident48 Ų4871.4 Ų71.422%0.22436%0.361CS..Hα-helixtrans-65.1-43.5176.7-74.7170.4158.100110.9K66 M170 T171 A176 K177 A178K66-E174 IonicContact NZ-OE1 2.7Å; K66-E174 PolarHBondContact NZ-OE1 3.4Å; K66-E174 IonicContact NZ-OE2 3.26Å; K66-E174 PolarHBondContact NZ-OE2 2.99Å; M170-E174 WeakPolarHBondContact CA-OE2 3.47Å; M170-E174 HydrophobicContact CB-CB 3.98Å; M170-E174 HydrophobicContact CG-CB 4.21Å; T171-E174 PolarHBondContact N-OE2 3.34Å; T171-E174 PolarHBondContact O-N 3.47Å; T171-E174 VanDerWaalsContact OG1-CG 3.31Å; T171-E174 WeakPolarHBondContact OG1-CG 3.34Å; T171-E174 PolarHBondContact OG1-N 3.47Å; T171-E174 PolarHBondContact OG1-OE2 2.66Å; E174-A176 PolarHBondContact O-N 3.2Å; E174-K177 PolarHBondContact O-N 3.43Å; E174-A178 VanDerWaalsContact O-CB 3.28Å; E174-A178 WeakPolarHBondContact O-CB 3.3Å; E174-A178 PolarHBondContact O-N 2.96Å
175K75.6Confident76.1Confident8 Ų866.9 Ų66.94%0.03534%0.339CS..Hα-helixtrans-58.4-49.2174.9-72.2173.8-159.8175.60111.3P167 M170 T171 D172 K177 A178 V179 C208 N211 L212P167-K175 WeakPolarHBondContact O-CE 3.32Å; P167-K175 PolarHBondContact O-NZ 3.03Å; M170-K175 HydrophobicContact CB-CD 4.46Å; M170-K175 HydrophobicContact CB-CG 3.62Å; M170-K175 HydrophobicContact CE-CG 4.32Å; M170-K175 WeakPolarHBondContact O-CE 3.43Å; M170-K175 PolarHBondContact O-NZ 3.2Å; M170-K175 HydrophobicContact SD-CG 4.45Å; T171-K175 WeakPolarHBondContact O-CG 3.17Å; T171-K175 PolarHBondContact O-N 3.16Å; D172-K175 PolarHBondContact O-N 3.32Å; K175-K177 VanDerWaalsContact C-N 3.28Å; K175-K177 PolarHBondContact O-N 2.91Å; K175-A178 PolarHBondContact O-N 3.37Å; K175-A178 VanDerWaalsContact O-N 3.17Å; K175-V179 VanDerWaalsContact O-CG2 3.29Å; K175-V179 WeakPolarHBondContact O-CG2 3.35Å; K175-V179 PolarHBondContact O-N 3.39Å; K175-C208 HydrophobicContact CB-CB 4.24Å; K175-C208 HydrophobicContact CG-CB 4.36Å; K175-N211 PolarHBondContact NZ-OD1 3.07Å; K175-L212 HydrophobicContact CB-CD1 4.35Å; K175-L212 HydrophobicContact CD-CD2 4.35Å
176A79.8Confident77.8Confident52 Ų5265.1 Ų65.143%0.4333%0.331SS..Hα-helixtrans-60-38.7-179.400000112.1D172 E173 E174 P180 L212D172-A176 PolarHBondContact O-N 3.41Å; E173-A176 PolarHBondContact O-N 2.79Å; E174-A176 PolarHBondContact O-N 3.2Å; A176-P180 VanDerWaalsContact O-CD 3.29Å; A176-P180 WeakPolarHBondContact O-CD 3.24Å; A176-L212 HydrophobicContact CB-CD1 4.5Å
177K84.3Confident79.8Confident163 Ų16362.4 Ų62.471%0.70932%0.317SS*.Hα-helixtrans-75.1-30.3176.3-71.2176.4-177.8175.40113.6E173 E174 K175E173-K177 WeakPolarHBondContact O-CG 3.42Å; E173-K177 PolarHBondContact O-N 2.66Å; E173-K177 VanDerWaalsContact O-N 3.09Å; E174-K177 PolarHBondContact O-N 3.43Å; K175-K177 VanDerWaalsContact C-N 3.28Å; K175-K177 PolarHBondContact O-N 2.91Å
178A82.9Confident82Confident20 Ų2065 Ų6517%0.16532%0.321CS..Hα-helixtrans-74.9-35.518000000112.7M170 E174 K175 L181 I182M170-A178 HydrophobicContact SD-CB 3.99Å; E174-A178 VanDerWaalsContact O-CB 3.28Å; E174-A178 WeakPolarHBondContact O-CB 3.3Å; E174-A178 PolarHBondContact O-N 2.96Å; K175-A178 PolarHBondContact O-N 3.37Å; K175-A178 VanDerWaalsContact O-N 3.17Å; A178-L181 WeakPolarHBondContact O-CB 3.1Å; A178-L181 PolarHBondContact O-N 3.11Å; A178-I182 HydrophobicContact CB-CD1 4.11Å; A178-I182 WeakPolarHBondContact O-CG1 3.33Å; A178-I182 PolarHBondContact O-N 2.91Å
179V90.7Very high84Confident13 Ų1356.1 Ų56.18%0.07929%0.288CS..Hα-helixtrans-51.8-48.2-175.4163.30000113.4K175 L181 I182 H183 C208 L209 L233K175-V179 VanDerWaalsContact O-CG2 3.29Å; K175-V179 WeakPolarHBondContact O-CG2 3.35Å; K175-V179 PolarHBondContact O-N 3.39Å; V179-L181 VanDerWaalsContact C-N 3.32Å; V179-L181 PolarHBondContact O-N 3.34Å; V179-I182 PolarHBondContact O-N 3.43Å; V179-H183 WeakPolarHBondContact O-CB 3.45Å; V179-H183 PolarHBondContact O-N 3.19Å; V179-C208 HydrophobicContact CG2-CB 3.74Å; V179-L209 HydrophobicContact CB-CD2 4.47Å; V179-L209 HydrophobicContact CG1-CD1 4.06Å; V179-L209 HydrophobicContact CG1-CD2 4.24Å; V179-L209 HydrophobicContact CG1-CG 4.12Å; V179-L209 HydrophobicContact CG2-CD2 3.9Å; V179-L209 HydrophobicContact CG2-CG 3.86Å; V179-L233 HydrophobicContact CG1-CD1 4.13Å
180P91.6Very high86.2Confident66 Ų6658.8 Ų58.843%0.42930%0.295SS..Hα-helixtrans-60.4-37.9176.5-25.934.9000113.9A176 H183 Q184A176-P180 VanDerWaalsContact O-CD 3.29Å; A176-P180 WeakPolarHBondContact O-CD 3.24Å; P180-H183 PolarHBondContact O-N 2.96Å; P180-Q184 VanDerWaalsContact O-CG 3.3Å; P180-Q184 WeakPolarHBondContact O-CG 3.46Å; P180-Q184 PolarHBondContact O-N 2.96Å
181L89.7Confident87.8Confident115 Ų11567.1 Ų67.160%0.60233%0.326SS*.Hα-helixtrans-69.8-45.2179.7-61.5175000110.9A178 V179 H183 Q184 E185A178-L181 WeakPolarHBondContact O-CB 3.1Å; A178-L181 PolarHBondContact O-N 3.11Å; V179-L181 VanDerWaalsContact C-N 3.32Å; V179-L181 PolarHBondContact O-N 3.34Å; L181-H183 VanDerWaalsContact C-N 3.29Å; L181-H183 PolarHBondContact O-N 3.49Å; L181-Q184 PolarHBondContact O-N 3.46Å; L181-E185 WeakPolarHBondContact O-CB 3.38Å; L181-E185 PolarHBondContact O-N 2.74Å
182I88.3Confident88.9Confident32 Ų3269.2 Ų69.216%0.16433%0.331CS..Hα-helixtrans-61.4-40.9175.8-62168.6000110.1A178 V179 E185 G186 K201 D204 A205A178-I182 HydrophobicContact CB-CD1 4.11Å; A178-I182 WeakPolarHBondContact O-CG1 3.33Å; A178-I182 PolarHBondContact O-N 2.91Å; V179-I182 PolarHBondContact O-N 3.43Å; I182-E185 PolarHBondContact O-N 3.2Å; I182-G186 PolarHBondContact O-N 3.09Å; I182-K201 HydrophobicContact CG2-CB 4.13Å; I182-K201 HydrophobicContact CG2-CD 4.36Å; I182-K201 WeakPolarHBondContact CG2-O 3.32Å; I182-D204 HydrophobicContact CG2-CB 4.2Å; I182-A205 HydrophobicContact CB-CB 4.23Å; I182-A205 HydrophobicContact CG2-CB 3.83Å
183H93.8Very high89.8Confident49 Ų4969 Ų6923%0.22734%0.343CS..Hα-helixtrans-62.3-46.4176.5-177.3-158.1000112.2V179 P180 L181 E185 G186 N187 Y202 L233 N236V179-H183 WeakPolarHBondContact O-CB 3.45Å; V179-H183 PolarHBondContact O-N 3.19Å; P180-H183 PolarHBondContact O-N 2.96Å; L181-H183 VanDerWaalsContact C-N 3.29Å; L181-H183 PolarHBondContact O-N 3.49Å; H183-E185 VanDerWaalsContact C-N 3.32Å; H183-E185 PolarHBondContact O-N 2.97Å; H183-G186 PolarHBondContact O-N 3.39Å; H183-N187 PolarHBondContact CD2-ND2 3.03Å; H183-N187 PolarHBondContact NE2-ND2 3.45Å; H183-N187 VanDerWaalsContact O-CG 3.24Å; H183-N187 PolarHBondContact O-N 2.95Å; H183-N187 PolarHBondContact O-ND2 2.89Å; H183-N187 VanDerWaalsContact O-ND2 3.16Å; H183-Y202 AromaticContact CD2-CE1 3.72Å; H183-L233 HydrophobicContact CB-CD2 3.67Å; H183-L233 WeakPolarHBondContact CD2-CD2 3.38Å; H183-N236 PolarHBondContact NE2-ND2 3.27Å; H183-N236 VanDerWaalsContact NE2-ND2 3.16Å
184Q93.9Very high90.7Very high126 Ų12666.8 Ų66.859%0.58933%0.333SS*.Hα-helixtrans-61.5-41.4177.3-75.2176.613.200111.9P180 L181 N187 R188P180-Q184 VanDerWaalsContact O-CG 3.3Å; P180-Q184 WeakPolarHBondContact O-CG 3.46Å; P180-Q184 PolarHBondContact O-N 2.96Å; L181-Q184 PolarHBondContact O-N 3.46Å; Q184-N187 WeakPolarHBondContact O-CB 3.38Å; Q184-N187 PolarHBondContact O-N 3.37Å; Q184-R188 PolarHBondContact O-N 3.32Å
185E91.9Very high91.7Very high66 Ų6665.9 Ų65.931%0.30833%0.33SS..Hα-helixtrans-65-44.1176.8-179.960.4-174.700112L181 I182 H183 N187 R188 L189 K201L181-E185 WeakPolarHBondContact O-CB 3.38Å; L181-E185 PolarHBondContact O-N 2.74Å; I182-E185 PolarHBondContact O-N 3.2Å; H183-E185 VanDerWaalsContact C-N 3.32Å; H183-E185 PolarHBondContact O-N 2.97Å; E185-N187 VanDerWaalsContact C-N 3.29Å; E185-N187 PolarHBondContact O-N 3.46Å; E185-R188 WeakPolarHBondContact O-CB 3.47Å; E185-R188 PolarHBondContact O-N 3.26Å; E185-R188 VanDerWaalsContact O-N 3.12Å; E185-R188 IonicContact OE1-CZ 3.86Å; E185-R188 IonicContact OE1-NE 2.69Å; E185-R188 IonicContact OE1-NH2 3.38Å; E185-R188 PolarHBondContact OE1-NH2 2.94Å; E185-R188 IonicContact OE2-CZ 2.67Å; E185-R188 IonicContact OE2-NE 3.67Å; E185-R188 PolarHBondContact OE2-NE 3.47Å; E185-R188 IonicContact OE2-NH2 3.64Å; E185-L189 HydrophobicContact CG-CD1 4.18Å; E185-L189 WeakPolarHBondContact O-CG 3.5Å; E185-L189 PolarHBondContact O-N 3.05Å; E185-K201 HydrophobicContact CG-CG 4.33Å
186G95.2Very high92.6Very high0 Ų074 Ų740%037%0.365CS..Hα-helixtrans-58.3-41172.400000112.4I182 H183 R188 Y190 A198 Y202I182-G186 PolarHBondContact O-N 3.09Å; H183-G186 PolarHBondContact O-N 3.39Å; G186-R188 VanDerWaalsContact C-N 3.34Å; G186-R188 PolarHBondContact O-N 2.95Å; G186-Y190 WeakPolarHBondContact O-CB 3.39Å; G186-Y190 PolarHBondContact O-N 3.24Å; G186-A198 WeakPolarHBondContact O-CB 3.31Å; G186-Y202 PolarHBondContact O-OH 2.86Å
187N97Very high93Very high34 Ų3476.2 Ų76.218%0.18237%0.367CS..Hα-helixtrans-65.6-36.6175.8-68-35.8000112.1H183 Q184 E185 R191 Y202 N236H183-N187 PolarHBondContact CD2-ND2 3.03Å; H183-N187 PolarHBondContact NE2-ND2 3.45Å; H183-N187 VanDerWaalsContact O-CG 3.24Å; H183-N187 PolarHBondContact O-N 2.95Å; H183-N187 PolarHBondContact O-ND2 2.89Å; H183-N187 VanDerWaalsContact O-ND2 3.16Å; Q184-N187 WeakPolarHBondContact O-CB 3.38Å; Q184-N187 PolarHBondContact O-N 3.37Å; E185-N187 VanDerWaalsContact C-N 3.29Å; E185-N187 PolarHBondContact O-N 3.46Å; N187-R191 WeakPolarHBondContact O-CG 3.17Å; N187-R191 PolarHBondContact O-N 3.08Å; N187-R191 PolarHBondContact O-NH1 3Å; N187-Y202 VanDerWaalsContact CA-OH 3.32Å; N187-Y202 WeakPolarHBondContact CA-OH 3.46Å; N187-Y202 PolarHBondContact N-OH 3.29Å; N187-Y202 PolarHBondContact OD1-OH 3.48Å; N187-N236 PolarHBondContact OD1-ND2 3.32Å
188R97.4Very high93.6Very high94 Ų9468.5 Ų68.536%0.35533%0.333SS..Hα-helixtrans-64.6-54.2175.9-172.6-170.568.274.55.1110.6Q184 E185 G186 Y190 R191 E192Q184-R188 PolarHBondContact O-N 3.32Å; E185-R188 WeakPolarHBondContact O-CB 3.47Å; E185-R188 PolarHBondContact O-N 3.26Å; E185-R188 VanDerWaalsContact O-N 3.12Å; E185-R188 IonicContact OE1-CZ 3.86Å; E185-R188 IonicContact OE1-NE 2.69Å; E185-R188 IonicContact OE1-NH2 3.38Å; E185-R188 PolarHBondContact OE1-NH2 2.94Å; E185-R188 IonicContact OE2-CZ 2.67Å; E185-R188 IonicContact OE2-NE 3.67Å; E185-R188 PolarHBondContact OE2-NE 3.47Å; E185-R188 IonicContact OE2-NH2 3.64Å; G186-R188 VanDerWaalsContact C-N 3.34Å; G186-R188 PolarHBondContact O-N 2.95Å; R188-Y190 VanDerWaalsContact C-N 3.28Å; R188-Y190 PolarHBondContact O-N 3.42Å; R188-R191 PolarHBondContact O-N 3.46Å; R188-R191 VanDerWaalsContact O-N 3.08Å; R188-E192 WeakPolarHBondContact CG-OE1 3.24Å; R188-E192 IonicContact CZ-OE1 3.52Å; R188-E192 IonicContact CZ-OE2 2.86Å; R188-E192 IonicContact NH1-OE1 3.88Å; R188-E192 PolarHBondContact NH1-OE1 3Å; R188-E192 IonicContact NH1-OE2 2.69Å; R188-E192 PolarHBondContact NH1-OE2 3.35Å; R188-E192 PolarHBondContact O-N 2.88Å; R188-E192 VanDerWaalsContact O-N 3.12Å
189L95.4Very high94.1Very high11 Ų1168.1 Ų68.16%0.05833%0.33CS..Hα-helixtrans-56.3-41.7178-71.2166.4000112.1E185 R191 E192 G193 H194 E197 A198 K201E185-L189 HydrophobicContact CG-CD1 4.18Å; E185-L189 WeakPolarHBondContact O-CG 3.5Å; E185-L189 PolarHBondContact O-N 3.05Å; L189-R191 PolarHBondContact O-N 2.92Å; L189-E192 PolarHBondContact O-N 3.01Å; L189-G193 PolarHBondContact O-N 3.31Å; L189-H194 HydrophobicContact CB-CB 4.18Å; L189-H194 HydrophobicContact CD2-CB 4.02Å; L189-H194 WeakPolarHBondContact O-CB 3.34Å; L189-H194 PolarHBondContact O-N 3.12Å; L189-E197 HydrophobicContact CD1-CB 4.05Å; L189-E197 HydrophobicContact CD2-CB 4.37Å; L189-A198 HydrophobicContact CB-CB 3.91Å; L189-K201 HydrophobicContact CD1-CG 3.75Å
190Y97.6Very high94.1Very high73 Ų7369.9 Ų69.929%0.28635%0.346SS..Hα-helixtrans-62-42.5177.5-175.4-91.8000112.3G186 R188 E192 G193 Q239G186-Y190 WeakPolarHBondContact O-CB 3.39Å; G186-Y190 PolarHBondContact O-N 3.24Å; R188-Y190 VanDerWaalsContact C-N 3.28Å; R188-Y190 PolarHBondContact O-N 3.42Å; Y190-E192 VanDerWaalsContact C-N 3.27Å; Y190-E192 PolarHBondContact O-N 2.81Å; Y190-G193 PolarHBondContact O-N 2.9Å; Y190-G193 VanDerWaalsContact O-N 3.16Å; Y190-Q239 HydrophobicContact CE2-CG 3.97Å; Y190-Q239 VanDerWaalsContact OH-CG 3.27Å; Y190-Q239 WeakPolarHBondContact OH-CG 3.36Å; Y190-Q239 PolarHBondContact OH-NE2 3.15Å
191R97.3Very high94.1Very high195 Ų19568.5 Ų68.574%0.73633%0.333SS*.Hα-helixtrans-66.5-30.2177.9-71.2-178.5-160.9109.6-3.6112.7N187 R188 L189 G193N187-R191 WeakPolarHBondContact O-CG 3.17Å; N187-R191 PolarHBondContact O-N 3.08Å; N187-R191 PolarHBondContact O-NH1 3Å; R188-R191 PolarHBondContact O-N 3.46Å; R188-R191 VanDerWaalsContact O-N 3.08Å; L189-R191 PolarHBondContact O-N 2.92Å; R191-G193 PolarHBondContact O-N 3.4Å
192E96.8Very high94.4Very high100 Ų10063.2 Ų63.247%0.46731%0.306SS..THydrogen-bonded Turntrans-80.3-4.2176.5-68.8169.5-173.700113R188 L189 Y190 H194R188-E192 WeakPolarHBondContact CG-OE1 3.24Å; R188-E192 IonicContact CZ-OE1 3.52Å; R188-E192 IonicContact CZ-OE2 2.86Å; R188-E192 IonicContact NH1-OE1 3.88Å; R188-E192 PolarHBondContact NH1-OE1 3Å; R188-E192 IonicContact NH1-OE2 2.69Å; R188-E192 PolarHBondContact NH1-OE2 3.35Å; R188-E192 PolarHBondContact O-N 2.88Å; R188-E192 VanDerWaalsContact O-N 3.12Å; L189-E192 PolarHBondContact O-N 3.01Å; Y190-E192 VanDerWaalsContact C-N 3.27Å; Y190-E192 PolarHBondContact O-N 2.81Å; E192-H194 IonicContact OE2-CD2 3.5Å
193G95.2Very high94.5Very high53 Ų5368.3 Ų68.355%0.54632%0.323SS..THydrogen-bonded Turntrans87.12.7179.700000114.3L189 Y190 R191 V195L189-G193 PolarHBondContact O-N 3.31Å; Y190-G193 PolarHBondContact O-N 2.9Å; Y190-G193 VanDerWaalsContact O-N 3.16Å; R191-G193 PolarHBondContact O-N 3.4Å; G193-V195 PolarHBondContact O-N 2.76Å
194H96.4Very high94.1Very high85 Ų8568.4 Ų68.439%0.39433%0.326SS..  trans-78.163.3175.8-66.8-77.8000111.5L189 E192 K196 E197 A198L189-H194 HydrophobicContact CB-CB 4.18Å; L189-H194 HydrophobicContact CD2-CB 4.02Å; L189-H194 WeakPolarHBondContact O-CB 3.34Å; L189-H194 PolarHBondContact O-N 3.12Å; E192-H194 IonicContact OE2-CD2 3.5Å; H194-K196 PolarHBondContact O-N 2.89Å; H194-E197 HydrophobicContact CB-CB 4.3Å; H194-E197 VanDerWaalsContact CB-OE2 3.3Å; H194-E197 WeakPolarHBondContact CB-OE2 3.27Å; H194-E197 IonicContact CG-OE2 3.26Å; H194-E197 IonicContact ND1-OE1 2.69Å; H194-E197 IonicContact ND1-OE2 3.77Å; H194-E197 PolarHBondContact ND1-OE2 2.69Å; H194-E197 PolarHBondContact O-N 2.89Å; H194-A198 WeakPolarHBondContact O-CB 3.07Å; H194-A198 PolarHBondContact O-N 2.86Å
195V95.6Very high94Very high28 Ų2862.4 Ų62.417%0.1730%0.298CS..Hα-helixtrans-62-40.9-169.1179.90000113G193 A198 A199 C240 V243G193-V195 PolarHBondContact O-N 2.76Å; V195-A198 PolarHBondContact O-N 3.02Å; V195-A199 WeakPolarHBondContact O-CB 3.1Å; V195-A199 PolarHBondContact O-N 3.2Å; V195-C240 HydrophobicContact CG1-CB 3.75Å; V195-V243 HydrophobicContact CG1-CB 4.15Å; V195-V243 HydrophobicContact CG1-CG1 4.22Å; V195-V243 HydrophobicContact CG2-CG1 3.93Å
196K92.9Very high93.9Very high178 Ų17859.7 Ų59.777%0.77429%0.285SS*.Hα-helixtrans-65.9-43.3-179.8-69.3-174.6177.8-178.10111.9H194 A199 A200H194-K196 PolarHBondContact O-N 2.89Å; K196-A199 WeakPolarHBondContact O-CB 3.35Å; K196-A199 PolarHBondContact O-N 2.84Å; K196-A200 PolarHBondContact O-N 2.68Å; K196-A200 VanDerWaalsContact O-N 3.1Å
197E89.6Confident93.4Very high100 Ų10061.3 Ų61.347%0.46730%0.299SS..Hα-helixtrans-69.2-39.2178.7-65.1146.4-142.500110.7L189 H194 A199 A200 K201L189-E197 HydrophobicContact CD1-CB 4.05Å; L189-E197 HydrophobicContact CD2-CB 4.37Å; H194-E197 HydrophobicContact CB-CB 4.3Å; H194-E197 VanDerWaalsContact CB-OE2 3.3Å; H194-E197 WeakPolarHBondContact CB-OE2 3.27Å; H194-E197 IonicContact CG-OE2 3.26Å; H194-E197 IonicContact ND1-OE1 2.69Å; H194-E197 IonicContact ND1-OE2 3.77Å; H194-E197 PolarHBondContact ND1-OE2 2.69Å; H194-E197 PolarHBondContact O-N 2.89Å; E197-A199 PolarHBondContact O-N 3.21Å; E197-A200 WeakPolarHBondContact O-CB 3.37Å; E197-A200 PolarHBondContact O-N 2.84Å; E197-K201 PolarHBondContact O-N 3.15Å
198A95.9Very high92.8Very high0 Ų059.8 Ų59.80%029%0.29CS..Hα-helixtrans-59.8-44.5172.400000112.1G186 L189 H194 V195 A200 K201 Y202G186-A198 WeakPolarHBondContact O-CB 3.31Å; L189-A198 HydrophobicContact CB-CB 3.91Å; H194-A198 WeakPolarHBondContact O-CB 3.07Å; H194-A198 PolarHBondContact O-N 2.86Å; V195-A198 PolarHBondContact O-N 3.02Å; A198-A200 VanDerWaalsContact C-N 3.32Å; A198-A200 PolarHBondContact O-N 3.33Å; A198-K201 PolarHBondContact O-N 3.39Å; A198-Y202 HydrophobicContact CB-CE2 4.1Å; A198-Y202 WeakPolarHBondContact O-CD2 3.33Å; A198-Y202 PolarHBondContact O-N 3.34Å
199A93.9Very high92.4Very high12 Ų1255.4 Ų55.410%0.09927%0.274CS..Hα-helixtrans-58.7-43.9176.200000111.7V195 K196 E197 K201 Y202 Y203 Y237 C240V195-A199 WeakPolarHBondContact O-CB 3.1Å; V195-A199 PolarHBondContact O-N 3.2Å; K196-A199 WeakPolarHBondContact O-CB 3.35Å; K196-A199 PolarHBondContact O-N 2.84Å; E197-A199 PolarHBondContact O-N 3.21Å; A199-K201 PolarHBondContact O-N 3.47Å; A199-Y202 PolarHBondContact O-N 3.29Å; A199-Y203 WeakPolarHBondContact O-CB 3.47Å; A199-Y203 PolarHBondContact O-N 3.16Å; A199-Y237 HydrophobicContact CB-CD2 4.2Å; A199-Y237 HydrophobicContact CB-CE2 4.22Å; A199-Y237 WeakPolarHBondContact O-CD2 3.38Å; A199-C240 HydrophobicContact CB-CB 3.75Å
200A90.6Very high92Very high50 Ų5059.3 Ų59.341%0.41329%0.291SS..Hα-helixtrans-59.2-44.8175.500000111.7K196 E197 A198 Y202 Y203 D204K196-A200 PolarHBondContact O-N 2.68Å; K196-A200 VanDerWaalsContact O-N 3.1Å; E197-A200 WeakPolarHBondContact O-CB 3.37Å; E197-A200 PolarHBondContact O-N 2.84Å; A198-A200 VanDerWaalsContact C-N 3.32Å; A198-A200 PolarHBondContact O-N 3.33Å; A200-Y202 PolarHBondContact O-N 2.83Å; A200-Y203 WeakPolarHBondContact O-CB 3.39Å; A200-Y203 PolarHBondContact O-N 3.09Å; A200-D204 VanDerWaalsContact O-CG 3.27Å; A200-D204 PolarHBondContact O-N 3.04Å
201K92.3Very high91.4Very high38 Ų3859 Ų5917%0.16529%0.294CS..Hα-helixtrans-63.2-43.1176.9-65.9-54.5-178.9-169.90113.3I182 E185 L189 E197 A198 A199 Y203 D204 A205I182-K201 HydrophobicContact CG2-CB 4.13Å; I182-K201 HydrophobicContact CG2-CD 4.36Å; I182-K201 WeakPolarHBondContact CG2-O 3.32Å; E185-K201 HydrophobicContact CG-CG 4.33Å; L189-K201 HydrophobicContact CD1-CG 3.75Å; E197-K201 PolarHBondContact O-N 3.15Å; A198-K201 PolarHBondContact O-N 3.39Å; A199-K201 PolarHBondContact O-N 3.47Å; K201-Y203 VanDerWaalsContact C-N 3.28Å; K201-Y203 PolarHBondContact O-N 3.48Å; K201-D204 PolarHBondContact O-N 3.41Å; K201-A205 PolarHBondContact O-N 2.69Å; K201-A205 VanDerWaalsContact O-N 3.11Å
202Y95.3Very high90.9Very high4 Ų450.5 Ų50.52%0.01626%0.263CS..Hα-helixtrans-63-39175.1-59.9-50.5000111.5H183 G186 N187 A198 A199 A200 A205 I206 N236 C240H183-Y202 AromaticContact CD2-CE1 3.72Å; G186-Y202 PolarHBondContact O-OH 2.86Å; N187-Y202 VanDerWaalsContact CA-OH 3.32Å; N187-Y202 WeakPolarHBondContact CA-OH 3.46Å; N187-Y202 PolarHBondContact N-OH 3.29Å; N187-Y202 PolarHBondContact OD1-OH 3.48Å; A198-Y202 HydrophobicContact CB-CE2 4.1Å; A198-Y202 WeakPolarHBondContact O-CD2 3.33Å; A198-Y202 PolarHBondContact O-N 3.34Å; A199-Y202 PolarHBondContact O-N 3.29Å; A200-Y202 PolarHBondContact O-N 2.83Å; Y202-A205 PolarHBondContact O-N 3.06Å; Y202-I206 VanDerWaalsContact O-CD1 3.28Å; Y202-I206 WeakPolarHBondContact O-CD1 3.24Å; Y202-I206 WeakPolarHBondContact O-CG1 3.36Å; Y202-I206 PolarHBondContact O-N 3.5Å; Y202-N236 HydrophobicContact CD1-CB 3.91Å; Y202-N236 HydrophobicContact CD2-CB 3.95Å; Y202-N236 HydrophobicContact CE1-CB 3.73Å; Y202-N236 HydrophobicContact CE2-CB 3.77Å; Y202-N236 HydrophobicContact CG-CB 4.02Å; Y202-C240 VanDerWaalsContact CE2-SG 3.54Å
203Y90.4Very high90.4Very high138 Ų13846.6 Ų46.654%0.54125%0.245SC..Hα-helixtrans-61.4-45.8175.7-172.8-89.6000112A199 A200 K201 A205 I206 A207 Y237A199-Y203 WeakPolarHBondContact O-CB 3.47Å; A199-Y203 PolarHBondContact O-N 3.16Å; A200-Y203 WeakPolarHBondContact O-CB 3.39Å; A200-Y203 PolarHBondContact O-N 3.09Å; K201-Y203 VanDerWaalsContact C-N 3.28Å; K201-Y203 PolarHBondContact O-N 3.48Å; Y203-A205 VanDerWaalsContact C-N 3.33Å; Y203-A205 PolarHBondContact O-N 2.91Å; Y203-I206 PolarHBondContact O-N 3.17Å; Y203-A207 WeakPolarHBondContact O-CB 3.48Å; Y203-A207 PolarHBondContact O-N 3.34Å; Y203-Y237 HydrophobicContact CD2-CE2 4.32Å
204D86.5Confident89.8Confident51 Ų5151.7 Ų51.727%0.27326%0.256SS..Hα-helixtrans-57.4-45.3176.5-66.1-21.6000111.6I182 A200 K201 A207 C208I182-D204 HydrophobicContact CG2-CB 4.2Å; A200-D204 VanDerWaalsContact O-CG 3.27Å; A200-D204 PolarHBondContact O-N 3.04Å; K201-D204 PolarHBondContact O-N 3.41Å; D204-A207 PolarHBondContact O-N 2.96Å; D204-C208 PolarHBondContact O-N 3.46Å; D204-C208 PolarHBondContact O-SG 3.01Å
205A90.8Very high89.3Confident0 Ų053.3 Ų53.30%026%0.262CS..Hα-helixtrans-65.1-41.717800000112.2I182 K201 Y202 Y203 A207 C208 L209 L233I182-A205 HydrophobicContact CB-CB 4.23Å; I182-A205 HydrophobicContact CG2-CB 3.83Å; K201-A205 PolarHBondContact O-N 2.69Å; K201-A205 VanDerWaalsContact O-N 3.11Å; Y202-A205 PolarHBondContact O-N 3.06Å; Y203-A205 VanDerWaalsContact C-N 3.33Å; Y203-A205 PolarHBondContact O-N 2.91Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A205-C208 PolarHBondContact O-N 2.99Å; A205-L209 PolarHBondContact O-N 3.41Å; A205-L209 VanDerWaalsContact O-N 3.16Å; A205-L233 HydrophobicContact CB-CD1 3.79Å; A205-L233 HydrophobicContact CB-CD2 4.16Å
206I89.4Confident88.9Confident10 Ų1055.6 Ų55.65%0.05127%0.271CS..Hα-helixtrans-62.8-43.1175.3-67.8158.3000110.4Y202 Y203 C208 L209 K210 I230 L233 L234Y202-I206 VanDerWaalsContact O-CD1 3.28Å; Y202-I206 WeakPolarHBondContact O-CD1 3.24Å; Y202-I206 WeakPolarHBondContact O-CG1 3.36Å; Y202-I206 PolarHBondContact O-N 3.5Å; Y203-I206 PolarHBondContact O-N 3.17Å; I206-C208 VanDerWaalsContact C-N 3.33Å; I206-C208 PolarHBondContact O-N 3.38Å; I206-L209 PolarHBondContact O-N 2.9Å; I206-K210 HydrophobicContact CG2-CD 4.05Å; I206-K210 HydrophobicContact CG2-CG 4.17Å; I206-K210 WeakPolarHBondContact O-CB 3.47Å; I206-K210 WeakPolarHBondContact O-CG 3.46Å; I206-K210 PolarHBondContact O-N 3.32Å; I206-I230 HydrophobicContact CG2-CG2 4.13Å; I206-L233 HydrophobicContact CD1-CB 4.2Å; I206-L233 HydrophobicContact CG1-CB 3.66Å; I206-L233 HydrophobicContact CG1-CD1 4.44Å; I206-L234 HydrophobicContact CD1-CB 4.19Å; I206-L234 HydrophobicContact CD1-CD1 3.96Å
207A85.3Confident88.5Confident34 Ų3454.3 Ų54.328%0.28127%0.268SS..Hα-helixtrans-62.3-41.317900000111.7Y203 D204 A205 K210 N211Y203-A207 WeakPolarHBondContact O-CB 3.48Å; Y203-A207 PolarHBondContact O-N 3.34Å; D204-A207 PolarHBondContact O-N 2.96Å; A205-A207 VanDerWaalsContact C-N 3.35Å; A207-K210 PolarHBondContact O-N 2.96Å; A207-N211 WeakPolarHBondContact O-CB 3.44Å; A207-N211 PolarHBondContact O-N 3.19Å
208C85Confident88.3Confident1 Ų154.6 Ų54.61%0.00728%0.278CS..Hα-helixtrans-58.2-51.7174.3-68.10000111.4K175 V179 D204 A205 I206 N211 L212K175-C208 HydrophobicContact CB-CB 4.24Å; K175-C208 HydrophobicContact CG-CB 4.36Å; V179-C208 HydrophobicContact CG2-CB 3.74Å; D204-C208 PolarHBondContact O-N 3.46Å; D204-C208 PolarHBondContact O-SG 3.01Å; A205-C208 PolarHBondContact O-N 2.99Å; I206-C208 VanDerWaalsContact C-N 3.33Å; I206-C208 PolarHBondContact O-N 3.38Å; C208-N211 PolarHBondContact O-N 3.02Å; C208-L212 PolarHBondContact O-N 3.46Å
209L89.2Confident87.8Confident2 Ų257 Ų571%0.0130%0.304CS..Hα-helixtrans-68.3-38.5-179.3-68.6-179.2000113.1V179 A205 I206 N211 L212 Q213 L226 Q229 I230 L233V179-L209 HydrophobicContact CB-CD2 4.47Å; V179-L209 HydrophobicContact CG1-CD1 4.06Å; V179-L209 HydrophobicContact CG1-CD2 4.24Å; V179-L209 HydrophobicContact CG1-CG 4.12Å; V179-L209 HydrophobicContact CG2-CD2 3.9Å; V179-L209 HydrophobicContact CG2-CG 3.86Å; A205-L209 PolarHBondContact O-N 3.41Å; A205-L209 VanDerWaalsContact O-N 3.16Å; I206-L209 PolarHBondContact O-N 2.9Å; L209-N211 VanDerWaalsContact C-N 3.29Å; L209-N211 PolarHBondContact O-N 2.82Å; L209-L212 HydrophobicContact CD2-CD1 4.39Å; L209-L212 WeakPolarHBondContact O-CB 3.4Å; L209-L212 PolarHBondContact O-N 3.4Å; L209-Q213 WeakPolarHBondContact O-CB 3.35Å; L209-Q213 PolarHBondContact O-N 3.05Å; L209-L226 HydrophobicContact CD2-CD2 4.07Å; L209-Q229 HydrophobicContact CD1-CB 3.71Å; L209-I230 HydrophobicContact CB-CD1 3.89Å; L209-I230 HydrophobicContact CB-CG1 3.44Å; L209-I230 VanDerWaalsContact CB-CG1 3.44Å; L209-I230 HydrophobicContact CD1-CG1 3.74Å; L209-I230 HydrophobicContact CG-CG1 4.28Å; L209-L233 HydrophobicContact CD1-CD1 3.66Å
210K86.7Confident87.7Confident94 Ų9457.3 Ų57.341%0.40931%0.305SS..Hα-helixtrans-62.8-37.9175.2-80.7-168.5174.1-171.30111.7I206 A207 L212 Q213 M214 I230I206-K210 HydrophobicContact CG2-CD 4.05Å; I206-K210 HydrophobicContact CG2-CG 4.17Å; I206-K210 WeakPolarHBondContact O-CB 3.47Å; I206-K210 WeakPolarHBondContact O-CG 3.46Å; I206-K210 PolarHBondContact O-N 3.32Å; A207-K210 PolarHBondContact O-N 2.96Å; K210-L212 VanDerWaalsContact C-N 3.3Å; K210-L212 PolarHBondContact O-N 3.44Å; K210-Q213 PolarHBondContact O-N 3.48Å; K210-M214 VanDerWaalsContact O-CG 3.27Å; K210-M214 WeakPolarHBondContact O-CG 3.48Å; K210-M214 PolarHBondContact O-N 3.36Å; K210-I230 HydrophobicContact CG-CD1 3.81Å
211N84.9Confident87.9Confident65 Ų6559.5 Ų59.535%0.34832%0.315SS..Hα-helixtrans-62.8-38.5176.2-173.6-99.7000112.2K175 A207 C208 L209K175-N211 PolarHBondContact NZ-OD1 3.07Å; A207-N211 WeakPolarHBondContact O-CB 3.44Å; A207-N211 PolarHBondContact O-N 3.19Å; C208-N211 PolarHBondContact O-N 3.02Å; L209-N211 VanDerWaalsContact C-N 3.29Å; L209-N211 PolarHBondContact O-N 2.82Å
212L85.4Confident87.9Confident17 Ų1762.2 Ų62.29%0.08933%0.328CS..Hα-helixtrans-65.9-47.9171.7-61.8176.8000110.8D172 K175 A176 C208 L209 K210 M214 K215 L226D172-L212 HydrophobicContact CB-CD2 3.48Å; D172-L212 VanDerWaalsContact CB-CD2 3.48Å; D172-L212 VanDerWaalsContact CG-CD2 3.45Å; D172-L212 WeakPolarHBondContact OD1-CD2 3.44Å; K175-L212 HydrophobicContact CB-CD1 4.35Å; K175-L212 HydrophobicContact CD-CD2 4.35Å; A176-L212 HydrophobicContact CB-CD1 4.5Å; C208-L212 PolarHBondContact O-N 3.46Å; L209-L212 HydrophobicContact CD2-CD1 4.39Å; L209-L212 WeakPolarHBondContact O-CB 3.4Å; L209-L212 PolarHBondContact O-N 3.4Å; K210-L212 VanDerWaalsContact C-N 3.3Å; K210-L212 PolarHBondContact O-N 3.44Å; L212-M214 PolarHBondContact O-N 2.84Å; L212-K215 WeakPolarHBondContact O-CB 3.49Å; L212-K215 PolarHBondContact O-N 3.42Å; L212-L226 HydrophobicContact CB-CD1 3.99Å; L212-L226 HydrophobicContact CB-CD2 4.2Å; L212-L226 HydrophobicContact CD1-CD2 4.32Å
213Q86.9Confident87.7Confident19 Ų1964.5 Ų64.59%0.08934%0.337CS..Hα-helixtrans-59.6-33.4-177.8-174.8-174.85900112.6L209 K210 K215 E216 W223 L226 D227L209-Q213 WeakPolarHBondContact O-CB 3.35Å; L209-Q213 PolarHBondContact O-N 3.05Å; K210-Q213 PolarHBondContact O-N 3.48Å; Q213-K215 PolarHBondContact O-N 3.39Å; Q213-E216 PolarHBondContact O-N 2.85Å; Q213-E216 VanDerWaalsContact O-N 3.11Å; Q213-W223 VanDerWaalsContact CG-CD1 3.42Å; Q213-W223 HydrophobicContact CG-CD2 4.11Å; Q213-W223 HydrophobicContact CG-CG 3.94Å; Q213-W223 HydrophobicContact CG-CZ2 4.36Å; Q213-W223 VanDerWaalsContact CG-NE1 3.26Å; Q213-W223 PolarHBondContact NE2-O 3.09Å; Q213-L226 HydrophobicContact CB-CB 4.12Å; Q213-L226 HydrophobicContact CB-CD1 4.08Å; Q213-L226 HydrophobicContact CG-CB 4.36Å; Q213-D227 PolarHBondContact NE2-OD1 2.72Å
214M83.1Confident87.8Confident159 Ų15961 Ų6178%0.78333%0.327SS*.THydrogen-bonded Turntrans-65.2-16.9176.3-75.1177.17100114.1K210 L212K210-M214 VanDerWaalsContact O-CG 3.27Å; K210-M214 WeakPolarHBondContact O-CG 3.48Å; K210-M214 PolarHBondContact O-N 3.36Å; L212-M214 PolarHBondContact O-N 2.84Å
215K85.9Confident88.1Confident119 Ų11964 Ų6452%0.51734%0.339SS..THydrogen-bonded Turntrans-87.2-16.6175.7-57.4-179.3-179-175.50112.3D172 L212 Q213D172-K215 IonicContact OD1-NZ 3.95Å; D172-K215 PolarHBondContact OD1-NZ 3.26Å; D172-K215 IonicContact OD2-NZ 2.67Å; D172-K215 PolarHBondContact OD2-NZ 3.3Å; L212-K215 WeakPolarHBondContact O-CB 3.49Å; L212-K215 PolarHBondContact O-N 3.42Å; Q213-K215 PolarHBondContact O-N 3.39Å
216E86.3Confident88.2Confident76 Ų7665.1 Ų65.136%0.35535%0.345SS..SBendtrans-93.3151.7-179.1-56.9-52.2142.800111.5Q213 P218 E222 W223 L226Q213-E216 PolarHBondContact O-N 2.85Å; Q213-E216 VanDerWaalsContact O-N 3.11Å; E216-P218 WeakPolarHBondContact O-CD 3.29Å; E216-E222 HydrophobicContact CG-CB 4.17Å; E216-W223 HydrophobicContact CB-CB 3.91Å; E216-W223 HydrophobicContact CB-CG 4.48Å; E216-L226 HydrophobicContact CG-CD1 3.95Å
217Q84.5Confident88.3Confident152 Ų15264.9 Ų64.971%0.7134%0.344SS*.PPolyproline II helixtrans-69.6127.7176-176.1176.66.900110.1G219 S220 W223Q217-G219 PolarHBondContact O-N 2.85Å; Q217-S220 WeakPolarHBondContact O-CB 3.5Å; Q217-S220 PolarHBondContact O-N 3.19Å; Q217-S220 PolarHBondContact O-OG 2.84Å; Q217-W223 VanDerWaalsContact O-CB 3.24Å; Q217-W223 WeakPolarHBondContact O-CB 3.17Å
218P86.1Confident88.7Confident105 Ų10568.6 Ų68.668%0.68236%0.355SS*.THydrogen-bonded Turntrans-53124.7176.4-2835.6000112.1E216E216-P218 WeakPolarHBondContact O-CD 3.29Å
219G84.8Confident89.2Confident52 Ų5272.6 Ų72.654%0.53637%0.374SS..THydrogen-bonded Turntrans86.4-1.4-178.200000115.6Q217Q217-G219 PolarHBondContact O-N 2.85Å
220S92.4Very high89.4Confident18 Ų1872.7 Ų72.713%0.12637%0.374CS..SBendtrans-66.3157.5169.184.30000111.1Q217 E222 W223 I224Q217-S220 WeakPolarHBondContact O-CB 3.5Å; Q217-S220 PolarHBondContact O-N 3.19Å; Q217-S220 PolarHBondContact O-OG 2.84Å; S220-E222 WeakPolarHBondContact CB-OE2 3.17Å; S220-E222 PolarHBondContact O-N 2.83Å; S220-E222 PolarHBondContact OG-N 2.8Å; S220-E222 PolarHBondContact OG-OE2 2.96Å; S220-E222 VanDerWaalsContact OG-OE2 3.05Å; S220-W223 PolarHBondContact O-N 2.91Å; S220-W223 PolarHBondContact OG-N 3.4Å; S220-W223 VanDerWaalsContact OG-N 3.15Å; S220-I224 WeakPolarHBondContact O-CG1 3.27Å; S220-I224 PolarHBondContact O-N 3.4Å
221P94.8Very high89.9Confident96 Ų9668.8 Ų68.862%0.62336%0.358SS*.Hα-helixtrans-53.1-40.6175.1-27.136000113.3I224 Q225P221-I224 PolarHBondContact O-N 3.25Å; P221-Q225 WeakPolarHBondContact O-CB 3.32Å; P221-Q225 PolarHBondContact O-N 2.68Å
222E92.3Very high90.4Very high94 Ų9468.5 Ų68.544%0.43936%0.36SS..Hα-helixtrans-67.4-43.4179.4-58.971.5-153.600111.1E216 S220 I224 Q225 L226E216-E222 HydrophobicContact CG-CB 4.17Å; S220-E222 WeakPolarHBondContact CB-OE2 3.17Å; S220-E222 PolarHBondContact O-N 2.83Å; S220-E222 PolarHBondContact OG-N 2.8Å; S220-E222 PolarHBondContact OG-OE2 2.96Å; S220-E222 VanDerWaalsContact OG-OE2 3.05Å; E222-I224 PolarHBondContact O-N 3.3Å; E222-Q225 PolarHBondContact O-N 2.97Å; E222-L226 WeakPolarHBondContact O-CG 3.04Å; E222-L226 PolarHBondContact O-N 3.34Å
223W92Very high91Very high53 Ų5367.9 Ų67.920%0.20136%0.357CS..Hα-helixtrans-61.4-44.3175.9-173.3100.1000111.6Q213 E216 Q217 S220 L226 D227Q213-W223 VanDerWaalsContact CG-CD1 3.42Å; Q213-W223 HydrophobicContact CG-CD2 4.11Å; Q213-W223 HydrophobicContact CG-CG 3.94Å; Q213-W223 HydrophobicContact CG-CZ2 4.36Å; Q213-W223 VanDerWaalsContact CG-NE1 3.26Å; Q213-W223 PolarHBondContact NE2-O 3.09Å; E216-W223 HydrophobicContact CB-CB 3.91Å; E216-W223 HydrophobicContact CB-CG 4.48Å; Q217-W223 VanDerWaalsContact O-CB 3.24Å; Q217-W223 WeakPolarHBondContact O-CB 3.17Å; S220-W223 PolarHBondContact O-N 2.91Å; S220-W223 PolarHBondContact OG-N 3.4Å; S220-W223 VanDerWaalsContact OG-N 3.15Å; W223-L226 PolarHBondContact O-N 2.91Å; W223-D227 HydrophobicContact CE3-CB 4.28Å; W223-D227 HydrophobicContact CH2-CB 4.32Å; W223-D227 HydrophobicContact CZ3-CB 3.91Å; W223-D227 PolarHBondContact O-N 3.48Å
224I91.1Very high91.5Very high64 Ų6467.7 Ų67.733%0.32836%0.356SS..Hα-helixtrans-66.1-41.1178.6-66.8168.8000110.3S220 P221 E222 L226 D227 Q228S220-I224 WeakPolarHBondContact O-CG1 3.27Å; S220-I224 PolarHBondContact O-N 3.4Å; P221-I224 PolarHBondContact O-N 3.25Å; E222-I224 PolarHBondContact O-N 3.3Å; I224-L226 VanDerWaalsContact C-N 3.34Å; I224-L226 PolarHBondContact O-N 2.8Å; I224-D227 WeakPolarHBondContact O-CB 3.48Å; I224-D227 PolarHBondContact O-N 3.49Å; I224-Q228 HydrophobicContact CG2-CG 4.41Å; I224-Q228 WeakPolarHBondContact O-CG 3.44Å; I224-Q228 PolarHBondContact O-N 3.43Å
225Q93.9Very high92.2Very high113 Ų11360.5 Ų60.553%0.52832%0.321SS..Hα-helixtrans-60.9-43.8177.2-173.9179.517.900111.6P221 E222 Q228 Q229P221-Q225 WeakPolarHBondContact O-CB 3.32Å; P221-Q225 PolarHBondContact O-N 2.68Å; E222-Q225 PolarHBondContact O-N 2.97Å; Q225-Q228 PolarHBondContact O-N 2.94Å; Q225-Q229 WeakPolarHBondContact O-CG 3.38Å; Q225-Q229 PolarHBondContact O-N 3.24Å; Q225-Q229 VanDerWaalsContact O-N 3.08Å
226L91.6Very high92.8Very high24 Ų2457 Ų5713%0.12631%0.308CS..Hα-helixtrans-64.1-40.2174.9-71167.6000111.6L209 L212 Q213 E216 E222 W223 I224 Q228 Q229 I230L209-L226 HydrophobicContact CD2-CD2 4.07Å; L212-L226 HydrophobicContact CB-CD1 3.99Å; L212-L226 HydrophobicContact CB-CD2 4.2Å; L212-L226 HydrophobicContact CD1-CD2 4.32Å; Q213-L226 HydrophobicContact CB-CB 4.12Å; Q213-L226 HydrophobicContact CB-CD1 4.08Å; Q213-L226 HydrophobicContact CG-CB 4.36Å; E216-L226 HydrophobicContact CG-CD1 3.95Å; E222-L226 WeakPolarHBondContact O-CG 3.04Å; E222-L226 PolarHBondContact O-N 3.34Å; W223-L226 PolarHBondContact O-N 2.91Å; I224-L226 VanDerWaalsContact C-N 3.34Å; I224-L226 PolarHBondContact O-N 2.8Å; L226-Q228 VanDerWaalsContact C-N 3.34Å; L226-Q228 PolarHBondContact O-N 2.69Å; L226-Q229 WeakPolarHBondContact O-CB 3.14Å; L226-Q229 PolarHBondContact O-N 3.45Å; L226-Q229 VanDerWaalsContact O-N 3.15Å; L226-I230 VanDerWaalsContact O-CG1 3.3Å; L226-I230 WeakPolarHBondContact O-CG1 3.27Å; L226-I230 PolarHBondContact O-N 2.76Å
227D91.6Very high93.4Very high6 Ų654.4 Ų54.43%0.03230%0.295CS..Hα-helixtrans-63.1-40176.9-15665.5000112.5Q213 W223 I224 Q229 I230 T231 K260 Y261Q213-D227 PolarHBondContact NE2-OD1 2.72Å; W223-D227 HydrophobicContact CE3-CB 4.28Å; W223-D227 HydrophobicContact CH2-CB 4.32Å; W223-D227 HydrophobicContact CZ3-CB 3.91Å; W223-D227 PolarHBondContact O-N 3.48Å; I224-D227 WeakPolarHBondContact O-CB 3.48Å; I224-D227 PolarHBondContact O-N 3.49Å; D227-Q229 VanDerWaalsContact C-N 3.31Å; D227-Q229 PolarHBondContact O-N 3.48Å; D227-I230 PolarHBondContact O-N 3.18Å; D227-T231 PolarHBondContact O-N 3.28Å; D227-T231 PolarHBondContact O-OG1 3.22Å; D227-K260 IonicContact OD1-NZ 3.44Å; D227-K260 PolarHBondContact OD1-NZ 3.27Å; D227-K260 WeakPolarHBondContact OD2-CE 3.46Å; D227-K260 IonicContact OD2-NZ 2.68Å; D227-K260 PolarHBondContact OD2-NZ 3.35Å; D227-Y261 WeakPolarHBondContact OD2-CE2 3.23Å; D227-Y261 PolarHBondContact OD2-OH 2.98Å
228Q93.9Very high94.1Very high111 Ų11147.2 Ų47.252%0.51926%0.261SS..Hα-helixtrans-65.2-33.3174.1-73.5178-13.400112.3I224 Q225 L226 P232I224-Q228 HydrophobicContact CG2-CG 4.41Å; I224-Q228 WeakPolarHBondContact O-CG 3.44Å; I224-Q228 PolarHBondContact O-N 3.43Å; Q225-Q228 PolarHBondContact O-N 2.94Å; L226-Q228 VanDerWaalsContact C-N 3.34Å; L226-Q228 PolarHBondContact O-N 2.69Å; Q228-P232 WeakPolarHBondContact O-CD 3.5Å
229Q95Very high94.7Very high85 Ų8544.5 Ų44.540%0.39724%0.24SC..Hα-helixtrans-73.1-34.9172.8-69.7179.718.700112.7L209 Q225 L226 D227 P232L209-Q229 HydrophobicContact CD1-CB 3.71Å; Q225-Q229 WeakPolarHBondContact O-CG 3.38Å; Q225-Q229 PolarHBondContact O-N 3.24Å; Q225-Q229 VanDerWaalsContact O-N 3.08Å; L226-Q229 WeakPolarHBondContact O-CB 3.14Å; L226-Q229 PolarHBondContact O-N 3.45Å; L226-Q229 VanDerWaalsContact O-N 3.15Å; D227-Q229 VanDerWaalsContact C-N 3.31Å; D227-Q229 PolarHBondContact O-N 3.48Å; Q229-P232 VanDerWaalsContact O-CD 3.32Å; Q229-P232 WeakPolarHBondContact O-CD 3.35Å; Q229-P232 WeakPolarHBondContact O-CG 3.39Å
230I94.6Very high95.3Very high5 Ų542.1 Ų42.13%0.02622%0.215CC..Hα-helixtrans-66.1-40176.3-71.3161.7000111I206 L209 K210 L226 D227 L233 L234I206-I230 HydrophobicContact CG2-CG2 4.13Å; L209-I230 HydrophobicContact CB-CD1 3.89Å; L209-I230 HydrophobicContact CB-CG1 3.44Å; L209-I230 VanDerWaalsContact CB-CG1 3.44Å; L209-I230 HydrophobicContact CD1-CG1 3.74Å; L209-I230 HydrophobicContact CG-CG1 4.28Å; K210-I230 HydrophobicContact CG-CD1 3.81Å; L226-I230 VanDerWaalsContact O-CG1 3.3Å; L226-I230 WeakPolarHBondContact O-CG1 3.27Å; L226-I230 PolarHBondContact O-N 2.76Å; D227-I230 PolarHBondContact O-N 3.18Å; I230-L233 WeakPolarHBondContact O-CB 3.16Å; I230-L233 PolarHBondContact O-N 3.11Å; I230-L233 VanDerWaalsContact O-N 3.1Å; I230-L234 HydrophobicContact CG2-CB 4.49Å; I230-L234 PolarHBondContact O-N 3.21Å
231T96.1Very high95.5Very high11 Ų1142.3 Ų42.37%0.06721%0.213CC..Hα-helixtrans-51.3-52.4-173.8-63.90000114.7D227 L233 L234 L235 I257D227-T231 PolarHBondContact O-N 3.28Å; D227-T231 PolarHBondContact O-OG1 3.22Å; T231-L233 VanDerWaalsContact C-N 3.33Å; T231-L233 PolarHBondContact O-N 2.86Å; T231-L234 PolarHBondContact O-N 3.49Å; T231-L235 HydrophobicContact CG2-CD1 4.11Å; T231-L235 WeakPolarHBondContact O-CG 3.43Å; T231-L235 PolarHBondContact O-N 3.19Å; T231-I257 HydrophobicContact CG2-CD1 4.39Å; T231-I257 HydrophobicContact CG2-CG2 4.1Å
232P97.2Very high95.7Very high59 Ų5938.6 Ų38.638%0.38319%0.188SC..Hα-helixtrans-64.1-34.317824.4-34.6000113.4Q228 Q229 L235 N236Q228-P232 WeakPolarHBondContact O-CD 3.5Å; Q229-P232 VanDerWaalsContact O-CD 3.32Å; Q229-P232 WeakPolarHBondContact O-CD 3.35Å; Q229-P232 WeakPolarHBondContact O-CG 3.39Å; P232-L235 PolarHBondContact O-N 3.23Å; P232-N236 PolarHBondContact O-N 3.17Å; P232-N236 VanDerWaalsContact O-N 3.08Å
233L97.8Very high95.9Very high4 Ų437.7 Ų37.72%0.02119%0.189CC..Hα-helixtrans-66.6-43.7175.3-60.3169.5000110.7V179 H183 A205 I206 L209 I230 T231 L235 N236 Y237V179-L233 HydrophobicContact CG1-CD1 4.13Å; H183-L233 HydrophobicContact CB-CD2 3.67Å; H183-L233 WeakPolarHBondContact CD2-CD2 3.38Å; A205-L233 HydrophobicContact CB-CD1 3.79Å; A205-L233 HydrophobicContact CB-CD2 4.16Å; I206-L233 HydrophobicContact CD1-CB 4.2Å; I206-L233 HydrophobicContact CG1-CB 3.66Å; I206-L233 HydrophobicContact CG1-CD1 4.44Å; L209-L233 HydrophobicContact CD1-CD1 3.66Å; I230-L233 WeakPolarHBondContact O-CB 3.16Å; I230-L233 PolarHBondContact O-N 3.11Å; I230-L233 VanDerWaalsContact O-N 3.1Å; T231-L233 VanDerWaalsContact C-N 3.33Å; T231-L233 PolarHBondContact O-N 2.86Å; L233-L235 VanDerWaalsContact C-N 3.35Å; L233-L235 PolarHBondContact O-N 2.97Å; L233-N236 WeakPolarHBondContact O-CB 3.44Å; L233-N236 PolarHBondContact O-N 3.05Å; L233-Y237 PolarHBondContact O-N 3.33Å
234L97.1Very high96.1Very high15 Ų1537.1 Ų37.18%0.07920%0.195CC..Hα-helixtrans-64.9-38.7177.8-170.459.9000111.6I206 I230 T231 N236 Y237 C238 H253 I257I206-L234 HydrophobicContact CD1-CB 4.19Å; I206-L234 HydrophobicContact CD1-CD1 3.96Å; I230-L234 HydrophobicContact CG2-CB 4.49Å; I230-L234 PolarHBondContact O-N 3.21Å; T231-L234 PolarHBondContact O-N 3.49Å; L234-N236 VanDerWaalsContact C-N 3.33Å; L234-N236 PolarHBondContact O-N 3.15Å; L234-Y237 HydrophobicContact CD1-CD1 4.3Å; L234-Y237 WeakPolarHBondContact O-CB 3.31Å; L234-Y237 PolarHBondContact O-N 3.03Å; L234-C238 PolarHBondContact O-N 2.59Å; L234-C238 PolarHBondContact O-SG 3.01Å; L234-H253 HydrophobicContact CD1-CB 4.1Å; L234-H253 HydrophobicContact CD2-CB 4.14Å; L234-H253 HydrophobicContact CG-CB 4.13Å; L234-I257 HydrophobicContact CB-CD1 4.42Å; L234-I257 HydrophobicContact CD2-CD1 3.93Å; L234-I257 HydrophobicContact CD2-CG1 4.06Å; L234-I257 HydrophobicContact CG-CD1 4.2Å
235L98.3Very high96.3Very high9 Ų940.7 Ų40.75%0.04721%0.211CC..Hα-helixtrans-64.6-36.2173.5-72.2169.7000112.7T231 P232 L233 Q239 I257 K266 A267 K270T231-L235 HydrophobicContact CG2-CD1 4.11Å; T231-L235 WeakPolarHBondContact O-CG 3.43Å; T231-L235 PolarHBondContact O-N 3.19Å; P232-L235 PolarHBondContact O-N 3.23Å; L233-L235 VanDerWaalsContact C-N 3.35Å; L233-L235 PolarHBondContact O-N 2.97Å; L235-Q239 PolarHBondContact O-N 2.99Å; L235-I257 HydrophobicContact CD2-CD1 3.94Å; L235-I257 HydrophobicContact CG-CD1 4.06Å; L235-K266 HydrophobicContact CD1-CB 3.91Å; L235-K266 HydrophobicContact CD1-CD 4.33Å; L235-K266 HydrophobicContact CD2-CB 4.23Å; L235-A267 HydrophobicContact CD2-CB 3.99Å; L235-K270 HydrophobicContact CD2-CD 4.04Å; L235-K270 WeakPolarHBondContact O-CE 3.3Å
236N98.5Very high96.3Very high45 Ų4539.2 Ų39.224%0.24120%0.204CC..Hα-helixtrans-69.4-39.3173.7-79.55.7000111.8H183 N187 Y202 P232 L233 L234 Q239 C240H183-N236 PolarHBondContact NE2-ND2 3.27Å; H183-N236 VanDerWaalsContact NE2-ND2 3.16Å; N187-N236 PolarHBondContact OD1-ND2 3.32Å; Y202-N236 HydrophobicContact CD1-CB 3.91Å; Y202-N236 HydrophobicContact CD2-CB 3.95Å; Y202-N236 HydrophobicContact CE1-CB 3.73Å; Y202-N236 HydrophobicContact CE2-CB 3.77Å; Y202-N236 HydrophobicContact CG-CB 4.02Å; P232-N236 PolarHBondContact O-N 3.17Å; P232-N236 VanDerWaalsContact O-N 3.08Å; L233-N236 WeakPolarHBondContact O-CB 3.44Å; L233-N236 PolarHBondContact O-N 3.05Å; L234-N236 VanDerWaalsContact C-N 3.33Å; L234-N236 PolarHBondContact O-N 3.15Å; N236-Q239 VanDerWaalsContact O-CB 3.32Å; N236-Q239 WeakPolarHBondContact O-CB 3.36Å; N236-Q239 PolarHBondContact O-N 3.49Å; N236-C240 PolarHBondContact O-N 2.79Å; N236-C240 VanDerWaalsContact O-N 3.13Å; N236-C240 PolarHBondContact O-SG 2.93Å
237Y98.1Very high96.6Very high21 Ų2140.5 Ų40.58%0.08221%0.207CC..Hα-helixtrans-60.1-49171.1178.1-98.5000111.5A199 Y203 L233 L234 Q239 C240 K241 E249 H253A199-Y237 HydrophobicContact CB-CD2 4.2Å; A199-Y237 HydrophobicContact CB-CE2 4.22Å; A199-Y237 WeakPolarHBondContact O-CD2 3.38Å; Y203-Y237 HydrophobicContact CD2-CE2 4.32Å; L233-Y237 PolarHBondContact O-N 3.33Å; L234-Y237 HydrophobicContact CD1-CD1 4.3Å; L234-Y237 WeakPolarHBondContact O-CB 3.31Å; L234-Y237 PolarHBondContact O-N 3.03Å; Y237-Q239 PolarHBondContact O-N 3.22Å; Y237-C240 WeakPolarHBondContact O-CA 3.4Å; Y237-C240 WeakPolarHBondContact O-CB 3.27Å; Y237-C240 PolarHBondContact O-N 2.94Å; Y237-K241 HydrophobicContact CD1-CG 4.2Å; Y237-K241 HydrophobicContact CE1-CD 4.5Å; Y237-K241 HydrophobicContact CE1-CG 3.83Å; Y237-K241 PolarHBondContact O-N 2.9Å; Y237-K241 WeakPolarHBondContact OH-CE 3.4Å; Y237-E249 WeakPolarHBondContact CE1-OE2 3.47Å; Y237-E249 PolarHBondContact OH-OE2 3.26Å; Y237-H253 AromaticContact CE1-CD2 3.88Å; Y237-H253 AromaticContact CE1-NE2 3.79Å
238C98.4Very high96.6Very high1 Ų148.2 Ų48.21%0.00724%0.237CC..Hα-helixtrans-57.6-34.6174.2-70.90000112.4L234 C240 K241 L242 V250 H253 K270L234-C238 PolarHBondContact O-N 2.59Å; L234-C238 PolarHBondContact O-SG 3.01Å; C238-C240 VanDerWaalsContact C-N 3.35Å; C238-K241 PolarHBondContact O-N 2.82Å; C238-L242 WeakPolarHBondContact O-CG 3.33Å; C238-L242 PolarHBondContact O-N 2.86Å; C238-V250 HydrophobicContact CB-CG1 4.18Å; C238-V250 HydrophobicContact CB-CG2 4.39Å; C238-H253 VanDerWaalsContact SG-CB 3.57Å; C238-K270 HydrophobicContact CB-CD 4.02Å
239Q98.4Very high96.5Very high49 Ų4945.9 Ų45.923%0.22923%0.226CC..Hα-helixtrans-63.3-41.7173.8-1765444.600112Y190 L235 N236 Y237 K241 L242 V243Y190-Q239 HydrophobicContact CE2-CG 3.97Å; Y190-Q239 VanDerWaalsContact OH-CG 3.27Å; Y190-Q239 WeakPolarHBondContact OH-CG 3.36Å; Y190-Q239 PolarHBondContact OH-NE2 3.15Å; L235-Q239 PolarHBondContact O-N 2.99Å; N236-Q239 VanDerWaalsContact O-CB 3.32Å; N236-Q239 WeakPolarHBondContact O-CB 3.36Å; N236-Q239 PolarHBondContact O-N 3.49Å; Y237-Q239 PolarHBondContact O-N 3.22Å; Q239-K241 VanDerWaalsContact C-N 3.34Å; Q239-L242 PolarHBondContact O-N 2.68Å; Q239-V243 WeakPolarHBondContact O-CG2 3.48Å; Q239-V243 PolarHBondContact O-N 2.89Å
240C98.2Very high96.6Very high1 Ų141.8 Ų41.81%0.00721%0.207CC..Hα-helixtrans-64-42.9175.9-59.40000111V195 A199 Y202 N236 Y237 C238 L242 V243 A244V195-C240 HydrophobicContact CG1-CB 3.75Å; A199-C240 HydrophobicContact CB-CB 3.75Å; Y202-C240 VanDerWaalsContact CE2-SG 3.54Å; N236-C240 PolarHBondContact O-N 2.79Å; N236-C240 VanDerWaalsContact O-N 3.13Å; N236-C240 PolarHBondContact O-SG 2.93Å; Y237-C240 WeakPolarHBondContact O-CA 3.4Å; Y237-C240 WeakPolarHBondContact O-CB 3.27Å; Y237-C240 PolarHBondContact O-N 2.94Å; C238-C240 VanDerWaalsContact C-N 3.35Å; C240-L242 PolarHBondContact O-N 2.89Å; C240-V243 PolarHBondContact O-N 2.83Å; C240-V243 VanDerWaalsContact O-N 3.12Å; C240-A244 PolarHBondContact O-N 2.77Å
241K97.6Very high96.7Very high22 Ų2242.4 Ų42.410%0.09621%0.21CC..Hα-helixtrans-65.2-36.6178.1-67.6-65.8-176.61600113.6Y237 C238 Q239 V243 A244 E245 E246 E249 V250Y237-K241 HydrophobicContact CD1-CG 4.2Å; Y237-K241 HydrophobicContact CE1-CD 4.5Å; Y237-K241 HydrophobicContact CE1-CG 3.83Å; Y237-K241 PolarHBondContact O-N 2.9Å; Y237-K241 WeakPolarHBondContact OH-CE 3.4Å; C238-K241 PolarHBondContact O-N 2.82Å; Q239-K241 VanDerWaalsContact C-N 3.34Å; K241-V243 VanDerWaalsContact C-N 3.3Å; K241-V243 PolarHBondContact O-N 2.93Å; K241-A244 CarbonylContact O-C 3.53Å; K241-A244 PolarHBondContact O-N 2.96Å; K241-E245 PolarHBondContact O-N 2.99Å; K241-E245 VanDerWaalsContact O-N 3.07Å; K241-E246 HydrophobicContact CB-CB 4.26Å; K241-E246 HydrophobicContact CD-CB 3.77Å; K241-E246 HydrophobicContact CD-CG 4.28Å; K241-E246 VanDerWaalsContact NZ-CD 3.25Å; K241-E246 IonicContact NZ-OE1 2.69Å; K241-E246 PolarHBondContact NZ-OE1 3.05Å; K241-E246 IonicContact NZ-OE2 3.96Å; K241-E246 PolarHBondContact NZ-OE2 3.42Å; K241-E246 PolarHBondContact O-N 3.04Å; K241-E249 WeakPolarHBondContact CE-OE1 3.37Å; K241-E249 WeakPolarHBondContact CE-OE2 3.4Å; K241-E249 IonicContact NZ-OE1 3.83Å; K241-E249 PolarHBondContact NZ-OE1 2.82Å; K241-E249 IonicContact NZ-OE2 3.56Å; K241-V250 HydrophobicContact CB-CG2 3.63Å
242L97.9Very high96.5Very high18 Ų1847.3 Ų47.39%0.09424%0.236CC..Hα-helixtrans-59.2-40.5170.1-79.9171000112.3C238 Q239 C240 E245 Y247 V250 K270 K273 A274C238-L242 WeakPolarHBondContact O-CG 3.33Å; C238-L242 PolarHBondContact O-N 2.86Å; Q239-L242 PolarHBondContact O-N 2.68Å; C240-L242 PolarHBondContact O-N 2.89Å; L242-E245 PolarHBondContact O-N 2.97Å; L242-Y247 HydrophobicContact CD2-CD1 4.13Å; L242-Y247 HydrophobicContact CD2-CE1 4.41Å; L242-V250 HydrophobicContact CD1-CG1 4.47Å; L242-V250 HydrophobicContact CD2-CG1 4.17Å; L242-V250 HydrophobicContact CD2-CG2 4.28Å; L242-V250 HydrophobicContact CG-CG1 4.09Å; L242-V250 HydrophobicContact CG-CG2 3.98Å; L242-K270 HydrophobicContact CD1-CB 3.94Å; L242-K270 HydrophobicContact CD1-CG 3.88Å; L242-K273 HydrophobicContact CD2-CB 4.18Å; L242-A274 HydrophobicContact CD2-CB 4.09Å
243V97.4Very high96.4Very high75 Ų7547 Ų4746%0.45523%0.23SC..Hα-helixtrans-73.1-32.1178.2176.60000111.6V195 Q239 C240 K241 E245V195-V243 HydrophobicContact CG1-CB 4.15Å; V195-V243 HydrophobicContact CG1-CG1 4.22Å; V195-V243 HydrophobicContact CG2-CG1 3.93Å; Q239-V243 WeakPolarHBondContact O-CG2 3.48Å; Q239-V243 PolarHBondContact O-N 2.89Å; C240-V243 PolarHBondContact O-N 2.83Å; C240-V243 VanDerWaalsContact O-N 3.12Å; K241-V243 VanDerWaalsContact C-N 3.3Å; K241-V243 PolarHBondContact O-N 2.93Å; V243-E245 PolarHBondContact O-N 3.1Å
244A94.6Very high96.4Very high41 Ų4146.8 Ų46.834%0.33923%0.229SC..THydrogen-bonded Turntrans-79.61174.300000113.8C240 K241 E246C240-A244 PolarHBondContact O-N 2.77Å; K241-A244 CarbonylContact O-C 3.53Å; K241-A244 PolarHBondContact O-N 2.96Å; A244-E246 HydrophobicContact CB-CG 4.14Å; A244-E246 PolarHBondContact O-N 3.47Å
245E96.5Very high96.2Very high139 Ų13947.8 Ų47.865%0.6524%0.236SC*.THydrogen-bonded Turntrans60.924.1-176.5-50-167.4-170.900114.5K241 L242 V243 Y247K241-E245 PolarHBondContact O-N 2.99Å; K241-E245 VanDerWaalsContact O-N 3.07Å; L242-E245 PolarHBondContact O-N 2.97Å; V243-E245 PolarHBondContact O-N 3.1Å; E245-Y247 HydrophobicContact CB-CE1 4.44Å; E245-Y247 HydrophobicContact CB-CE2 3.8Å; E245-Y247 WeakPolarHBondContact CB-OH 3.29Å; E245-Y247 VanDerWaalsContact CG-OH 3.31Å; E245-Y247 WeakPolarHBondContact CG-OH 3.45Å; E245-Y247 VanDerWaalsContact O-CD2 3.26Å; E245-Y247 WeakPolarHBondContact O-CD2 3.5Å; E245-Y247 VanDerWaalsContact O-CE2 3.3Å; E245-Y247 WeakPolarHBondContact O-CE2 3.06Å; E245-Y247 PolarHBondContact O-N 3.44Å
246E94.4Very high96Very high82 Ų8250.1 Ų50.138%0.38325%0.254SS..  trans-92.769.2178.6-66.1-177.8-111.400110.4K241 A244 Y248K241-E246 HydrophobicContact CB-CB 4.26Å; K241-E246 HydrophobicContact CD-CB 3.77Å; K241-E246 HydrophobicContact CD-CG 4.28Å; K241-E246 VanDerWaalsContact NZ-CD 3.25Å; K241-E246 IonicContact NZ-OE1 2.69Å; K241-E246 PolarHBondContact NZ-OE1 3.05Å; K241-E246 IonicContact NZ-OE2 3.96Å; K241-E246 PolarHBondContact NZ-OE2 3.42Å; K241-E246 PolarHBondContact O-N 3.04Å; A244-E246 HydrophobicContact CB-CG 4.14Å; A244-E246 PolarHBondContact O-N 3.47Å; E246-Y248 PolarHBondContact O-N 2.94Å
247Y96.3Very high95.8Very high51 Ų5148.1 Ų48.120%0.224%0.243CC..Hα-helixtrans-70.5-32.3-165.6-53.6-63.9000115.1L242 E245 E249 V250 L251 A274 A277 V278L242-Y247 HydrophobicContact CD2-CD1 4.13Å; L242-Y247 HydrophobicContact CD2-CE1 4.41Å; E245-Y247 HydrophobicContact CB-CE1 4.44Å; E245-Y247 HydrophobicContact CB-CE2 3.8Å; E245-Y247 WeakPolarHBondContact CB-OH 3.29Å; E245-Y247 VanDerWaalsContact CG-OH 3.31Å; E245-Y247 WeakPolarHBondContact CG-OH 3.45Å; E245-Y247 VanDerWaalsContact O-CD2 3.26Å; E245-Y247 WeakPolarHBondContact O-CD2 3.5Å; E245-Y247 VanDerWaalsContact O-CE2 3.3Å; E245-Y247 WeakPolarHBondContact O-CE2 3.06Å; E245-Y247 PolarHBondContact O-N 3.44Å; Y247-E249 PolarHBondContact O-N 2.66Å; Y247-V250 WeakPolarHBondContact O-CB 3.37Å; Y247-V250 PolarHBondContact O-N 2.68Å; Y247-V250 VanDerWaalsContact O-N 3.14Å; Y247-L251 WeakPolarHBondContact O-CG 3.4Å; Y247-L251 PolarHBondContact O-N 3.3Å; Y247-A274 HydrophobicContact CD1-CB 4.47Å; Y247-A277 HydrophobicContact CD1-CB 3.62Å; Y247-A277 HydrophobicContact CD2-CB 3.88Å; Y247-A277 HydrophobicContact CE1-CB 3.41Å; Y247-A277 VanDerWaalsContact CE1-CB 3.41Å; Y247-A277 HydrophobicContact CE2-CB 3.69Å; Y247-A277 HydrophobicContact CG-CB 3.85Å; Y247-A277 VanDerWaalsContact CZ-CB 3.44Å; Y247-V278 HydrophobicContact CD2-CG1 3.97Å; Y247-V278 HydrophobicContact CG-CG1 4.07Å
248Y93.1Very high95.7Very high169 Ų16947.6 Ų47.666%0.66324%0.241SC*.Hα-helixtrans-65.1-40.4-175.7-67.2-75.1000112.8E246 V250 L251 D252E246-Y248 PolarHBondContact O-N 2.94Å; Y248-V250 PolarHBondContact O-N 2.9Å; Y248-L251 HydrophobicContact CD1-CD1 4.39Å; Y248-L251 WeakPolarHBondContact O-CB 3.48Å; Y248-L251 PolarHBondContact O-N 3.36Å; Y248-L251 VanDerWaalsContact O-N 3.16Å; Y248-D252 PolarHBondContact O-N 3.35Å
249E90.9Very high95.5Very high61 Ų6154.3 Ų54.329%0.28528%0.277SS..Hα-helixtrans-60.3-37.4173.8-72.7-171.3-122.600111.7Y237 K241 Y247 H253Y237-E249 WeakPolarHBondContact CE1-OE2 3.47Å; Y237-E249 PolarHBondContact OH-OE2 3.26Å; K241-E249 WeakPolarHBondContact CE-OE1 3.37Å; K241-E249 WeakPolarHBondContact CE-OE2 3.4Å; K241-E249 IonicContact NZ-OE1 3.83Å; K241-E249 PolarHBondContact NZ-OE1 2.82Å; K241-E249 IonicContact NZ-OE2 3.56Å; Y247-E249 PolarHBondContact O-N 2.66Å; E249-H253 WeakPolarHBondContact O-CB 3.34Å; E249-H253 PolarHBondContact O-CD2 3.28Å; E249-H253 PolarHBondContact O-N 3.35Å
250V97.9Very high95.2Very high0 Ų056.2 Ų56.20%029%0.285CS..Hα-helixtrans-64.8-43.2177.6-179.10000110.5C238 K241 L242 Y247 Y248 C254 K270 A274C238-V250 HydrophobicContact CB-CG1 4.18Å; C238-V250 HydrophobicContact CB-CG2 4.39Å; K241-V250 HydrophobicContact CB-CG2 3.63Å; L242-V250 HydrophobicContact CD1-CG1 4.47Å; L242-V250 HydrophobicContact CD2-CG1 4.17Å; L242-V250 HydrophobicContact CD2-CG2 4.28Å; L242-V250 HydrophobicContact CG-CG1 4.09Å; L242-V250 HydrophobicContact CG-CG2 3.98Å; Y247-V250 WeakPolarHBondContact O-CB 3.37Å; Y247-V250 PolarHBondContact O-N 2.68Å; Y247-V250 VanDerWaalsContact O-N 3.14Å; Y248-V250 PolarHBondContact O-N 2.9Å; V250-C254 WeakPolarHBondContact O-CB 3.3Å; V250-C254 PolarHBondContact O-N 2.94Å; V250-C254 PolarHBondContact O-SG 2.99Å; V250-C254 VanDerWaalsContact O-SG 3.41Å; V250-K270 HydrophobicContact CG1-CB 4.3Å; V250-A274 HydrophobicContact CB-CB 4Å; V250-A274 HydrophobicContact CG1-CB 3.85Å
251L95.4Very high94.9Very high17 Ų1758.3 Ų58.39%0.08929%0.293CS..Hα-helixtrans-61.2-47178.5-67176.6000111.6Y247 Y248 S255 R271 A274 H275 V278Y247-L251 WeakPolarHBondContact O-CG 3.4Å; Y247-L251 PolarHBondContact O-N 3.3Å; Y248-L251 HydrophobicContact CD1-CD1 4.39Å; Y248-L251 WeakPolarHBondContact O-CB 3.48Å; Y248-L251 PolarHBondContact O-N 3.36Å; Y248-L251 VanDerWaalsContact O-N 3.16Å; L251-S255 WeakPolarHBondContact O-CB 3.37Å; L251-S255 PolarHBondContact O-N 3.31Å; L251-S255 PolarHBondContact O-OG 3.47Å; L251-R271 HydrophobicContact CD2-CG 3.75Å; L251-A274 HydrophobicContact CD2-CB 3.62Å; L251-A274 HydrophobicContact CG-CB 3.94Å; L251-H275 HydrophobicContact CD2-CB 4.5Å; L251-V278 HydrophobicContact CD1-CG2 4.1Å
252D93.3Very high94.9Very high115 Ų11562.3 Ų62.362%0.61532%0.315SS*.Hα-helixtrans-65.1-49.6-178.8-71.4-17.6000111.4Y248 S255 S256Y248-D252 PolarHBondContact O-N 3.35Å; D252-S255 PolarHBondContact O-N 2.88Å; D252-S256 WeakPolarHBondContact O-CB 3.31Å; D252-S256 PolarHBondContact O-N 3.28Å
253H94.6Very high94.8Very high52 Ų5266.6 Ų66.624%0.24134%0.338CS..Hα-helixtrans-66.1-45.9-178.9-72.8-37.4000112.6L234 Y237 C238 E249 S256 I257L234-H253 HydrophobicContact CD1-CB 4.1Å; L234-H253 HydrophobicContact CD2-CB 4.14Å; L234-H253 HydrophobicContact CG-CB 4.13Å; Y237-H253 AromaticContact CE1-CD2 3.88Å; Y237-H253 AromaticContact CE1-NE2 3.79Å; C238-H253 VanDerWaalsContact SG-CB 3.57Å; E249-H253 WeakPolarHBondContact O-CB 3.34Å; E249-H253 PolarHBondContact O-CD2 3.28Å; E249-H253 PolarHBondContact O-N 3.35Å; H253-S256 PolarHBondContact O-N 3.07Å; H253-I257 WeakPolarHBondContact O-CG1 3.48Å; H253-I257 PolarHBondContact O-N 3.2Å
254C97.3Very high94.8Very high0 Ų064.4 Ų64.40%032%0.324CS..Hα-helixtrans-67.4-36.5178.6-70.80000111.9V250 I257 L258 A267 R271V250-C254 WeakPolarHBondContact O-CB 3.3Å; V250-C254 PolarHBondContact O-N 2.94Å; V250-C254 PolarHBondContact O-SG 2.99Å; V250-C254 VanDerWaalsContact O-SG 3.41Å; C254-I257 PolarHBondContact O-N 2.82Å; C254-L258 WeakPolarHBondContact O-CB 3.5Å; C254-L258 VanDerWaalsContact O-CG 3.23Å; C254-L258 WeakPolarHBondContact O-CG 3.5Å; C254-L258 PolarHBondContact O-N 2.7Å; C254-A267 HydrophobicContact CB-CB 4.42Å; C254-R271 HydrophobicContact CB-CB 3.73Å; C254-R271 HydrophobicContact CB-CG 4.2Å
255S93.9Very high95Very high35 Ų3564 Ų6425%0.24532%0.317CS..Hα-helixtrans-65-40.3174.2-60.10000112L251 D252 I257 L258 N259 R271L251-S255 WeakPolarHBondContact O-CB 3.37Å; L251-S255 PolarHBondContact O-N 3.31Å; L251-S255 PolarHBondContact O-OG 3.47Å; D252-S255 PolarHBondContact O-N 2.88Å; S255-I257 VanDerWaalsContact C-N 3.34Å; S255-I257 PolarHBondContact O-N 2.85Å; S255-L258 PolarHBondContact O-N 2.97Å; S255-N259 PolarHBondContact O-N 3.06Å; S255-N259 PolarHBondContact O-ND2 3.34Å; S255-N259 PolarHBondContact O-OD1 3Å; S255-R271 VanDerWaalsContact OG-CD 3.26Å; S255-R271 WeakPolarHBondContact OG-CD 3.15Å; S255-R271 PolarHBondContact OG-NH1 2.92Å
256S93.4Very high95Very high59 Ų5964.2 Ų64.241%0.41332%0.316SS..Hα-helixtrans-61.9-39.5174.4-1780000112.8D252 H253 K260D252-S256 WeakPolarHBondContact O-CB 3.31Å; D252-S256 PolarHBondContact O-N 3.28Å; H253-S256 PolarHBondContact O-N 3.07Å; S256-K260 WeakPolarHBondContact O-CE 3.27Å
257I94.5Very high95.2Very high2 Ų260.3 Ų60.31%0.0130%0.298CS..Hα-helixtrans-62.3-50.4173.3-68.2166.9000110T231 L234 L235 H253 C254 S255 N259 K260 Y261 N264 A267T231-I257 HydrophobicContact CG2-CD1 4.39Å; T231-I257 HydrophobicContact CG2-CG2 4.1Å; L234-I257 HydrophobicContact CB-CD1 4.42Å; L234-I257 HydrophobicContact CD2-CD1 3.93Å; L234-I257 HydrophobicContact CD2-CG1 4.06Å; L234-I257 HydrophobicContact CG-CD1 4.2Å; L235-I257 HydrophobicContact CD2-CD1 3.94Å; L235-I257 HydrophobicContact CG-CD1 4.06Å; H253-I257 WeakPolarHBondContact O-CG1 3.48Å; H253-I257 PolarHBondContact O-N 3.2Å; C254-I257 PolarHBondContact O-N 2.82Å; S255-I257 VanDerWaalsContact C-N 3.34Å; S255-I257 PolarHBondContact O-N 2.85Å; I257-N259 VanDerWaalsContact C-N 3.29Å; I257-N259 PolarHBondContact O-N 2.82Å; I257-K260 PolarHBondContact O-N 3.05Å; I257-Y261 HydrophobicContact CG2-CD2 4.36Å; I257-Y261 PolarHBondContact O-N 3.47Å; I257-N264 HydrophobicContact CG2-CB 4.15Å; I257-A267 HydrophobicContact CB-CB 4.33Å; I257-A267 HydrophobicContact CG2-CB 3.9Å
258L96.6Very high95.3Very high10 Ų1059.2 Ų59.25%0.05229%0.294CS..Hα-helixtrans-68.6-25.4-174.4-69.5171.8000113.8C254 S255 K260 N264 A267 Y268C254-L258 WeakPolarHBondContact O-CB 3.5Å; C254-L258 VanDerWaalsContact O-CG 3.23Å; C254-L258 WeakPolarHBondContact O-CG 3.5Å; C254-L258 PolarHBondContact O-N 2.7Å; S255-L258 PolarHBondContact O-N 2.97Å; L258-K260 PolarHBondContact O-N 3.42Å; L258-N264 HydrophobicContact CD2-CB 4.23Å; L258-A267 HydrophobicContact CD1-CB 4.22Å; L258-A267 HydrophobicContact CD2-CB 3.74Å; L258-A267 HydrophobicContact CG-CB 3.77Å; L258-Y268 HydrophobicContact CD1-CD1 3.63Å; L258-Y268 HydrophobicContact CD1-CD2 4.45Å; L258-Y268 HydrophobicContact CD1-CE1 3.71Å; L258-Y268 HydrophobicContact CD1-CG 4.01Å; L258-Y268 HydrophobicContact CD2-CD1 4.19Å; L258-Y268 HydrophobicContact CD2-CD2 3.56Å; L258-Y268 HydrophobicContact CD2-CE1 4.02Å; L258-Y268 HydrophobicContact CD2-CE2 3.35Å; L258-Y268 HydrophobicContact CD2-CG 3.97Å; L258-Y268 HydrophobicContact CG-CE1 4.4Å
259N93.4Very high95.6Very high142 Ų14253 Ų5376%0.75927%0.27SS*.THydrogen-bonded Turntrans-65.6-20.6170.9-72.6-14000113S255 I257S255-N259 PolarHBondContact O-N 3.06Å; S255-N259 PolarHBondContact O-ND2 3.34Å; S255-N259 PolarHBondContact O-OD1 3Å; I257-N259 VanDerWaalsContact C-N 3.29Å; I257-N259 PolarHBondContact O-N 2.82Å
260K91.1Very high96Very high90 Ų9051.2 Ų51.239%0.39126%0.261SS..THydrogen-bonded Turntrans-108.3-38-179.2-63178.6-71.6171.70112.5D227 S256 I257 L258D227-K260 IonicContact OD1-NZ 3.44Å; D227-K260 PolarHBondContact OD1-NZ 3.27Å; D227-K260 WeakPolarHBondContact OD2-CE 3.46Å; D227-K260 IonicContact OD2-NZ 2.68Å; D227-K260 PolarHBondContact OD2-NZ 3.35Å; S256-K260 WeakPolarHBondContact O-CE 3.27Å; I257-K260 PolarHBondContact O-N 3.05Å; L258-K260 PolarHBondContact O-N 3.42Å
261Y93.4Very high96Very high44 Ų4453.1 Ų53.117%0.17327%0.269CS..  trans-131.483.4-173.8-51-55.7000108.8D227 I257 D263 N264D227-Y261 WeakPolarHBondContact OD2-CE2 3.23Å; D227-Y261 PolarHBondContact OD2-OH 2.98Å; I257-Y261 HydrophobicContact CG2-CD2 4.36Å; I257-Y261 PolarHBondContact O-N 3.47Å; Y261-D263 PolarHBondContact O-N 3.43Å; Y261-N264 WeakPolarHBondContact O-CB 3.44Å; Y261-N264 PolarHBondContact O-N 3.16Å
262D96Very high96.2Very high106 Ų10652.3 Ų52.357%0.56726%0.264SS*.THydrogen-bonded Turntrans-77.8-0.1-174.372.4-22.1000113.9Y268D262-Y268 WeakPolarHBondContact O-CE2 3.46Å; D262-Y268 PolarHBondContact O-OH 2.97Å
263D96.3Very high96.4Very high108 Ų10850 Ų5058%0.57825%0.249SC*.THydrogen-bonded Turntrans-993.5174.267.2-16.7000112.7Y261 V265Y261-D263 PolarHBondContact O-N 3.43Å; D263-V265 PolarHBondContact O-N 3.43Å
264N97.8Very high96.6Very high30 Ų3047.6 Ų47.616%0.1624%0.238CC..  trans-7989.8-175.7-162-57.7000112.8I257 L258 Y261 K266 A267 Y268I257-N264 HydrophobicContact CG2-CB 4.15Å; L258-N264 HydrophobicContact CD2-CB 4.23Å; Y261-N264 WeakPolarHBondContact O-CB 3.44Å; Y261-N264 PolarHBondContact O-N 3.16Å; N264-K266 VanDerWaalsContact C-N 3.26Å; N264-K266 PolarHBondContact O-N 3.4Å; N264-K266 PolarHBondContact OD1-N 3.06Å; N264-A267 HydrophobicContact CB-CB 3.97Å; N264-A267 PolarHBondContact O-N 3.23Å; N264-A267 PolarHBondContact OD1-N 3.43Å; N264-Y268 WeakPolarHBondContact O-CD2 3.49Å; N264-Y268 PolarHBondContact O-N 3Å
265V98.3Very high96.6Very high31 Ų3148.6 Ų48.619%0.18824%0.242CC..Hα-helixtrans-50.9-42.5178.9-172.80000112.9D263 A267 Y268 F269 V291 L294 D295 L298D263-V265 PolarHBondContact O-N 3.43Å; V265-A267 PolarHBondContact O-N 3.06Å; V265-Y268 PolarHBondContact O-N 3.41Å; V265-F269 WeakPolarHBondContact O-CB 3.49Å; V265-F269 PolarHBondContact O-N 3.05Å; V265-V291 HydrophobicContact CG1-CG1 3.99Å; V265-L294 HydrophobicContact CG2-CB 3.64Å; V265-L294 HydrophobicContact CG2-CD1 4.12Å; V265-D295 HydrophobicContact CG1-CB 3.96Å; V265-D295 HydrophobicContact CG2-CB 4.28Å; V265-L298 HydrophobicContact CG1-CD1 3.57Å
266K98Very high96.8Very high145 Ų14547.7 Ų47.763%0.6324%0.237SC*.Hα-helixtrans-67.9-35.8-178-70.3-179.9-178.3174.30112.1L235 N264 K270L235-K266 HydrophobicContact CD1-CB 3.91Å; L235-K266 HydrophobicContact CD1-CD 4.33Å; L235-K266 HydrophobicContact CD2-CB 4.23Å; N264-K266 VanDerWaalsContact C-N 3.26Å; N264-K266 PolarHBondContact O-N 3.4Å; N264-K266 PolarHBondContact OD1-N 3.06Å; K266-K270 WeakPolarHBondContact O-CB 3.49Å; K266-K270 VanDerWaalsContact O-CG 3.28Å; K266-K270 WeakPolarHBondContact O-CG 3.31Å; K266-K270 PolarHBondContact O-N 3.02Å
267A98.3Very high96.9Very high0 Ų046 Ų460%023%0.226CC..Hα-helixtrans-67.6-47.5177.400000111.1L235 C254 I257 L258 N264 V265 F269 K270 R271L235-A267 HydrophobicContact CD2-CB 3.99Å; C254-A267 HydrophobicContact CB-CB 4.42Å; I257-A267 HydrophobicContact CB-CB 4.33Å; I257-A267 HydrophobicContact CG2-CB 3.9Å; L258-A267 HydrophobicContact CD1-CB 4.22Å; L258-A267 HydrophobicContact CD2-CB 3.74Å; L258-A267 HydrophobicContact CG-CB 3.77Å; N264-A267 HydrophobicContact CB-CB 3.97Å; N264-A267 PolarHBondContact O-N 3.23Å; N264-A267 PolarHBondContact OD1-N 3.43Å; V265-A267 PolarHBondContact O-N 3.06Å; A267-F269 VanDerWaalsContact C-N 3.34Å; A267-F269 PolarHBondContact O-N 3.38Å; A267-K270 PolarHBondContact O-N 3.25Å; A267-R271 WeakPolarHBondContact O-CB 3.41Å; A267-R271 PolarHBondContact O-N 3.46Å
268Y98.8Very high97Very high27 Ų2747.1 Ų47.111%0.10623%0.233CC..Hα-helixtrans-57.8-46.9173.8-76.1-69.7000111.7L258 D262 N264 V265 K270 R271 G272 D287 K290 L294L258-Y268 HydrophobicContact CD1-CD1 3.63Å; L258-Y268 HydrophobicContact CD1-CD2 4.45Å; L258-Y268 HydrophobicContact CD1-CE1 3.71Å; L258-Y268 HydrophobicContact CD1-CG 4.01Å; L258-Y268 HydrophobicContact CD2-CD1 4.19Å; L258-Y268 HydrophobicContact CD2-CD2 3.56Å; L258-Y268 HydrophobicContact CD2-CE1 4.02Å; L258-Y268 HydrophobicContact CD2-CE2 3.35Å; L258-Y268 HydrophobicContact CD2-CG 3.97Å; L258-Y268 HydrophobicContact CG-CE1 4.4Å; D262-Y268 WeakPolarHBondContact O-CE2 3.46Å; D262-Y268 PolarHBondContact O-OH 2.97Å; N264-Y268 WeakPolarHBondContact O-CD2 3.49Å; N264-Y268 PolarHBondContact O-N 3Å; V265-Y268 PolarHBondContact O-N 3.41Å; Y268-K270 PolarHBondContact O-N 3.25Å; Y268-R271 PolarHBondContact O-N 3.26Å; Y268-G272 PolarHBondContact O-N 2.88Å; Y268-D287 HydrophobicContact CD1-CB 4.46Å; Y268-D287 WeakPolarHBondContact CD1-OD1 3.11Å; Y268-K290 HydrophobicContact CD1-CB 3.97Å; Y268-K290 HydrophobicContact CD1-CG 3.96Å; Y268-K290 HydrophobicContact CD2-CB 4.4Å; Y268-K290 HydrophobicContact CD2-CG 3.81Å; Y268-K290 HydrophobicContact CE1-CB 4.04Å; Y268-K290 HydrophobicContact CE1-CG 3.65Å; Y268-K290 HydrophobicContact CE2-CB 4.45Å; Y268-K290 HydrophobicContact CE2-CG 3.47Å; Y268-K290 VanDerWaalsContact CE2-CG 3.47Å; Y268-K290 HydrophobicContact CG-CB 4.18Å; Y268-K290 HydrophobicContact CG-CG 4.05Å; Y268-L294 HydrophobicContact CD2-CD1 3.88Å; Y268-L294 HydrophobicContact CE2-CD1 3.86Å
269F98.7Very high96.9Very high40 Ų4052.2 Ų52.218%0.17525%0.252CS..Hα-helixtrans-61.2-43.7-178.7-172.1-92000112.2V265 A267 K273 F288 V291 V301 V302 E305V265-F269 WeakPolarHBondContact O-CB 3.49Å; V265-F269 PolarHBondContact O-N 3.05Å; A267-F269 VanDerWaalsContact C-N 3.34Å; A267-F269 PolarHBondContact O-N 3.38Å; F269-K273 HydrophobicContact CD1-CD 4.22Å; F269-K273 HydrophobicContact CE1-CD 3.59Å; F269-K273 HydrophobicContact CE1-CG 4.21Å; F269-K273 HydrophobicContact CZ-CD 4.12Å; F269-K273 WeakPolarHBondContact O-CG 3.47Å; F269-K273 PolarHBondContact O-N 3.47Å; F269-K273 VanDerWaalsContact O-N 3.15Å; F269-F288 HydrophobicContact CD2-CD1 4.35Å; F269-F288 HydrophobicContact CD2-CE1 4.11Å; F269-F288 HydrophobicContact CE2-CE1 4.09Å; F269-V291 HydrophobicContact CB-CG2 3.82Å; F269-V291 HydrophobicContact CD2-CG1 4.22Å; F269-V291 HydrophobicContact CD2-CG2 4.31Å; F269-V301 HydrophobicContact CE2-CG1 3.88Å; F269-V301 HydrophobicContact CZ-CG1 3.62Å; F269-V302 HydrophobicContact CD2-CG2 4.24Å; F269-V302 HydrophobicContact CE2-CG2 4.1Å; F269-E305 HydrophobicContact CE2-CG 4.46Å; F269-E305 HydrophobicContact CZ-CG 4.18Å
270K98.6Very high97Very high22 Ų2248.4 Ų48.410%0.09623%0.231CC..Hα-helixtrans-68.6-41.9178.1-71.4178.6-165.2-59.50112.2L235 C238 L242 V250 K266 A267 Y268 K273 A274L235-K270 HydrophobicContact CD2-CD 4.04Å; L235-K270 WeakPolarHBondContact O-CE 3.3Å; C238-K270 HydrophobicContact CB-CD 4.02Å; L242-K270 HydrophobicContact CD1-CB 3.94Å; L242-K270 HydrophobicContact CD1-CG 3.88Å; V250-K270 HydrophobicContact CG1-CB 4.3Å; K266-K270 WeakPolarHBondContact O-CB 3.49Å; K266-K270 VanDerWaalsContact O-CG 3.28Å; K266-K270 WeakPolarHBondContact O-CG 3.31Å; K266-K270 PolarHBondContact O-N 3.02Å; A267-K270 PolarHBondContact O-N 3.25Å; Y268-K270 PolarHBondContact O-N 3.25Å; K270-K273 PolarHBondContact O-N 2.89Å; K270-A274 PolarHBondContact O-N 2.67Å
271R98.7Very high97.2Very high41 Ų4145.2 Ų45.216%0.15522%0.222CC..Hα-helixtrans-64.8-42.7177.2-165.3176.466.4-178.9-1.5111.6L251 C254 S255 A267 Y268 K273 A274 H275 D287L251-R271 HydrophobicContact CD2-CG 3.75Å; C254-R271 HydrophobicContact CB-CB 3.73Å; C254-R271 HydrophobicContact CB-CG 4.2Å; S255-R271 VanDerWaalsContact OG-CD 3.26Å; S255-R271 WeakPolarHBondContact OG-CD 3.15Å; S255-R271 PolarHBondContact OG-NH1 2.92Å; A267-R271 WeakPolarHBondContact O-CB 3.41Å; A267-R271 PolarHBondContact O-N 3.46Å; Y268-R271 PolarHBondContact O-N 3.26Å; R271-K273 VanDerWaalsContact C-N 3.34Å; R271-K273 PolarHBondContact O-N 2.83Å; R271-A274 PolarHBondContact O-N 2.9Å; R271-A274 VanDerWaalsContact O-N 3.08Å; R271-H275 PolarHBondContact O-CD2 2.73Å; R271-H275 PolarHBondContact O-N 3.29Å; R271-D287 VanDerWaalsContact CB-OD2 3.3Å; R271-D287 WeakPolarHBondContact CB-OD2 3.45Å; R271-D287 VanDerWaalsContact CG-OD2 3.3Å; R271-D287 WeakPolarHBondContact CG-OD2 3.44Å; R271-D287 IonicContact CZ-OD1 2.8Å; R271-D287 IonicContact CZ-OD2 2.8Å; R271-D287 IonicContact NE-OD1 3.51Å; R271-D287 PolarHBondContact NE-OD1 2.99Å; R271-D287 IonicContact NE-OD2 2.91Å; R271-D287 PolarHBondContact NE-OD2 3.11Å; R271-D287 IonicContact NH2-OD1 2.59Å; R271-D287 PolarHBondContact NH2-OD1 3.2Å; R271-D287 IonicContact NH2-OD2 2.69Å
272G98.5Very high97.3Very high0 Ų050.6 Ų50.60%025%0.249CC..Hα-helixtrans-59.9-41.4175.300000112.6Y268 H275 A276 A284 D287Y268-G272 PolarHBondContact O-N 2.88Å; G272-H275 PolarHBondContact O-N 2.93Å; G272-A276 WeakPolarHBondContact O-CB 3.41Å; G272-A276 PolarHBondContact O-N 3.4Å; G272-A284 WeakPolarHBondContact O-CB 3.44Å; G272-D287 PolarHBondContact N-OD2 3.47Å; G272-D287 VanDerWaalsContact N-OD2 3.16Å
273K98.4Very high97.5Very high67 Ų6749.6 Ų49.629%0.29124%0.241SC..Hα-helixtrans-63.2-41.5172.3-74-166.770.6170.10113L242 F269 K270 R271 A276 A277 F288 E305L242-K273 HydrophobicContact CD2-CB 4.18Å; F269-K273 HydrophobicContact CD1-CD 4.22Å; F269-K273 HydrophobicContact CE1-CD 3.59Å; F269-K273 HydrophobicContact CE1-CG 4.21Å; F269-K273 HydrophobicContact CZ-CD 4.12Å; F269-K273 WeakPolarHBondContact O-CG 3.47Å; F269-K273 PolarHBondContact O-N 3.47Å; F269-K273 VanDerWaalsContact O-N 3.15Å; K270-K273 PolarHBondContact O-N 2.89Å; R271-K273 VanDerWaalsContact C-N 3.34Å; R271-K273 PolarHBondContact O-N 2.83Å; K273-A276 PolarHBondContact O-N 2.94Å; K273-A277 PolarHBondContact O-N 2.81Å; K273-A277 VanDerWaalsContact O-N 3.08Å; K273-F288 HydrophobicContact CG-CE1 4.28Å; K273-F288 HydrophobicContact CG-CZ 4.03Å; K273-E305 WeakPolarHBondContact CE-OE2 3.33Å; K273-E305 IonicContact NZ-OE1 3.96Å; K273-E305 IonicContact NZ-OE2 3.93Å
274A98.4Very high97.6Very high0 Ų044.5 Ų44.50%021%0.213CC..Hα-helixtrans-66.3-44.8177.500000111.4L242 Y247 V250 L251 K270 R271 A276 A277 V278L242-A274 HydrophobicContact CD2-CB 4.09Å; Y247-A274 HydrophobicContact CD1-CB 4.47Å; V250-A274 HydrophobicContact CB-CB 4Å; V250-A274 HydrophobicContact CG1-CB 3.85Å; L251-A274 HydrophobicContact CD2-CB 3.62Å; L251-A274 HydrophobicContact CG-CB 3.94Å; K270-A274 PolarHBondContact O-N 2.67Å; R271-A274 PolarHBondContact O-N 2.9Å; R271-A274 VanDerWaalsContact O-N 3.08Å; A274-A276 VanDerWaalsContact C-N 3.34Å; A274-A276 PolarHBondContact O-N 2.84Å; A274-A277 WeakPolarHBondContact O-CB 3.41Å; A274-A277 PolarHBondContact O-N 2.8Å; A274-A277 VanDerWaalsContact O-N 3.11Å; A274-V278 WeakPolarHBondContact O-CG2 3.38Å; A274-V278 PolarHBondContact O-N 2.56Å; A274-V278 VanDerWaalsContact O-N 3.08Å
275H98.5Very high97.6Very high22 Ų2247.1 Ų47.110%0.10223%0.225CC..Hα-helixtrans-57.5-45173.4-82.1-51.1000112.2L251 R271 G272 A277 V278 W279 N280 E283 A284 D287L251-H275 HydrophobicContact CD2-CB 4.5Å; R271-H275 PolarHBondContact O-CD2 2.73Å; R271-H275 PolarHBondContact O-N 3.29Å; G272-H275 PolarHBondContact O-N 2.93Å; H275-A277 VanDerWaalsContact C-N 3.26Å; H275-A277 PolarHBondContact O-N 2.85Å; H275-V278 CarbonylContact O-C 3.52Å; H275-V278 PolarHBondContact O-N 2.79Å; H275-W279 PolarHBondContact O-N 2.86Å; H275-N280 HydrophobicContact CB-CB 3.89Å; H275-N280 WeakPolarHBondContact ND1-CB 3.46Å; H275-N280 PolarHBondContact ND1-ND2 3.08Å; H275-N280 PolarHBondContact O-N 3.44Å; H275-E283 HydrophobicContact CB-CB 4.29Å; H275-A284 HydrophobicContact CB-CB 3.84Å; H275-D287 IonicContact CD2-OD2 3.57Å; H275-D287 PolarHBondContact CD2-OD2 3.06Å
276A97.5Very high97.6Very high16 Ų1648.4 Ų48.413%0.13224%0.239CC..Hα-helixtrans-60.4-36.5176.300000112.3G272 K273 A274 A284 L309G272-A276 WeakPolarHBondContact O-CB 3.41Å; G272-A276 PolarHBondContact O-N 3.4Å; K273-A276 PolarHBondContact O-N 2.94Å; A274-A276 VanDerWaalsContact C-N 3.34Å; A274-A276 PolarHBondContact O-N 2.84Å; A276-A284 HydrophobicContact CB-CB 3.95Å; A276-L309 HydrophobicContact CB-CD1 4.15Å; A276-L309 HydrophobicContact CB-CD2 4.31Å
277A95.9Very high97.6Very high22 Ų2241.9 Ų41.918%0.18221%0.211CC..Hα-helixtrans-72-31.7178.500000113.4Y247 K273 A274 H275Y247-A277 HydrophobicContact CD1-CB 3.62Å; Y247-A277 HydrophobicContact CD2-CB 3.88Å; Y247-A277 HydrophobicContact CE1-CB 3.41Å; Y247-A277 VanDerWaalsContact CE1-CB 3.41Å; Y247-A277 HydrophobicContact CE2-CB 3.69Å; Y247-A277 HydrophobicContact CG-CB 3.85Å; Y247-A277 VanDerWaalsContact CZ-CB 3.44Å; K273-A277 PolarHBondContact O-N 2.81Å; K273-A277 VanDerWaalsContact O-N 3.08Å; A274-A277 WeakPolarHBondContact O-CB 3.41Å; A274-A277 PolarHBondContact O-N 2.8Å; A274-A277 VanDerWaalsContact O-N 3.11Å; H275-A277 VanDerWaalsContact C-N 3.26Å; H275-A277 PolarHBondContact O-N 2.85Å
278V95.9Very high97.6Very high27 Ų2741.9 Ų41.916%0.16421%0.211CC..THydrogen-bonded Turntrans-96.115178.2-55.90000114Y247 L251 A274 H275 N280Y247-V278 HydrophobicContact CD2-CG1 3.97Å; Y247-V278 HydrophobicContact CG-CG1 4.07Å; L251-V278 HydrophobicContact CD1-CG2 4.1Å; A274-V278 WeakPolarHBondContact O-CG2 3.38Å; A274-V278 PolarHBondContact O-N 2.56Å; A274-V278 VanDerWaalsContact O-N 3.08Å; H275-V278 CarbonylContact O-C 3.52Å; H275-V278 PolarHBondContact O-N 2.79Å; V278-N280 VanDerWaalsContact C-N 3.32Å; V278-N280 HydrophobicContact CG2-CB 4.34Å; V278-N280 PolarHBondContact O-N 2.76Å
279W93.9Very high97.6Very high117 Ų11743.4 Ų43.444%0.44323%0.229SC..THydrogen-bonded Turntrans6918.9177.6-55.988.3000116.3H275 A281 R312 K316H275-W279 PolarHBondContact O-N 2.86Å; W279-A281 VanDerWaalsContact C-N 3.27Å; W279-A281 PolarHBondContact O-N 3.26Å; W279-R312 HydrophobicContact CH2-CB 4.19Å; W279-R312 HydrophobicContact CZ3-CB 4.24Å; W279-K316 HydrophobicContact CE3-CD 4.04Å; W279-K316 HydrophobicContact CH2-CB 4.42Å; W279-K316 HydrophobicContact CH2-CD 4.04Å; W279-K316 HydrophobicContact CZ3-CB 4.21Å; W279-K316 HydrophobicContact CZ3-CD 3.69Å
280N95.9Very high97.6Very high61 Ų6143.9 Ų43.933%0.32623%0.231SC..  trans-8570.9172.1-70.913.3000109.5H275 V278 Q282 E283 A284H275-N280 HydrophobicContact CB-CB 3.89Å; H275-N280 WeakPolarHBondContact ND1-CB 3.46Å; H275-N280 PolarHBondContact ND1-ND2 3.08Å; H275-N280 PolarHBondContact O-N 3.44Å; V278-N280 VanDerWaalsContact C-N 3.32Å; V278-N280 HydrophobicContact CG2-CB 4.34Å; V278-N280 PolarHBondContact O-N 2.76Å; N280-Q282 PolarHBondContact O-N 3.41Å; N280-E283 HydrophobicContact CB-CB 4.25Å; N280-E283 WeakPolarHBondContact CB-OE2 3.49Å; N280-A284 WeakPolarHBondContact O-CB 3.34Å; N280-A284 PolarHBondContact O-N 2.89Å
281A95.3Very high97.6Very high24 Ų2442.9 Ų42.920%0.19823%0.226CC..Hα-helixtrans-64.5-39.2-168.800000113.6W279 A284 Q285 L309 I313W279-A281 VanDerWaalsContact C-N 3.27Å; W279-A281 PolarHBondContact O-N 3.26Å; A281-A284 PolarHBondContact O-N 3.18Å; A281-Q285 WeakPolarHBondContact O-CG 3.46Å; A281-Q285 PolarHBondContact O-N 3.38Å; A281-L309 HydrophobicContact CB-CD1 4.43Å; A281-L309 HydrophobicContact CB-CD2 4.42Å; A281-I313 HydrophobicContact CB-CD1 3.66Å
282Q96.7Very high97.6Very high156 Ų15643.5 Ų43.573%0.72923%0.232SC*.Hα-helixtrans-67.8-44.6-178.5-67.5-176.6-7.400110.9N280 Q285 A286N280-Q282 PolarHBondContact O-N 3.41Å; Q282-Q285 PolarHBondContact O-N 3.25Å; Q282-A286 PolarHBondContact O-N 2.78Å
283E98.3Very high97.6Very high86 Ų8649.7 Ų49.740%0.40226%0.262SS..Hα-helixtrans-65.4-40.8177.9-62.980.3175.100111.1H275 N280 Q285 A286 D287H275-E283 HydrophobicContact CB-CB 4.29Å; N280-E283 HydrophobicContact CB-CB 4.25Å; N280-E283 WeakPolarHBondContact CB-OE2 3.49Å; E283-Q285 PolarHBondContact O-N 2.81Å; E283-A286 PolarHBondContact O-N 3.11Å; E283-D287 PolarHBondContact O-N 2.94Å
284A98.3Very high97.5Very high0 Ų049.5 Ų49.50%026%0.263CS..Hα-helixtrans-60.2-45.3174.300000112.1G272 H275 A276 N280 A281 D287 F288 L309G272-A284 WeakPolarHBondContact O-CB 3.44Å; H275-A284 HydrophobicContact CB-CB 3.84Å; A276-A284 HydrophobicContact CB-CB 3.95Å; N280-A284 WeakPolarHBondContact O-CB 3.34Å; N280-A284 PolarHBondContact O-N 2.89Å; A281-A284 PolarHBondContact O-N 3.18Å; A284-D287 PolarHBondContact O-N 3.25Å; A284-F288 HydrophobicContact CB-CE2 4.38Å; A284-F288 WeakPolarHBondContact O-CB 3.5Å; A284-F288 WeakPolarHBondContact O-CD2 3.25Å; A284-F288 WeakPolarHBondContact O-CG 3.44Å; A284-F288 PolarHBondContact O-N 3.14Å; A284-L309 HydrophobicContact CB-CD2 3.89Å
285Q97.9Very high97.5Very high85 Ų8552.2 Ų52.240%0.39728%0.278SS..Hα-helixtrans-63-41.7176.7-74.9177.3-9.800112A281 Q282 E283 F288 A289 L306 L309A281-Q285 WeakPolarHBondContact O-CG 3.46Å; A281-Q285 PolarHBondContact O-N 3.38Å; Q282-Q285 PolarHBondContact O-N 3.25Å; E283-Q285 PolarHBondContact O-N 2.81Å; Q285-F288 PolarHBondContact O-N 2.94Å; Q285-A289 WeakPolarHBondContact O-CB 3.47Å; Q285-A289 PolarHBondContact O-N 2.9Å; Q285-L306 HydrophobicContact CG-CD2 3.95Å; Q285-L309 HydrophobicContact CG-CD2 4.47Å
286A98.4Very high97.5Very high59 Ų5955.5 Ų55.549%0.48830%0.301SS..Hα-helixtrans-62.5-45.5176.900000111.9Q282 E283 A289 K290Q282-A286 PolarHBondContact O-N 2.78Å; E283-A286 PolarHBondContact O-N 3.11Å; A286-A289 PolarHBondContact O-N 3.44Å; A286-K290 PolarHBondContact O-N 3.44Å
287D98.8Very high97.5Very high7 Ų758.7 Ų58.74%0.03733%0.327CS..Hα-helixtrans-62.3-44.6176.5-82.8-13000111.6Y268 R271 G272 H275 E283 A284 A289 K290 V291Y268-D287 HydrophobicContact CD1-CB 4.46Å; Y268-D287 WeakPolarHBondContact CD1-OD1 3.11Å; R271-D287 VanDerWaalsContact CB-OD2 3.3Å; R271-D287 WeakPolarHBondContact CB-OD2 3.45Å; R271-D287 VanDerWaalsContact CG-OD2 3.3Å; R271-D287 WeakPolarHBondContact CG-OD2 3.44Å; R271-D287 IonicContact CZ-OD1 2.8Å; R271-D287 IonicContact CZ-OD2 2.8Å; R271-D287 IonicContact NE-OD1 3.51Å; R271-D287 PolarHBondContact NE-OD1 2.99Å; R271-D287 IonicContact NE-OD2 2.91Å; R271-D287 PolarHBondContact NE-OD2 3.11Å; R271-D287 IonicContact NH2-OD1 2.59Å; R271-D287 PolarHBondContact NH2-OD1 3.2Å; R271-D287 IonicContact NH2-OD2 2.69Å; G272-D287 PolarHBondContact N-OD2 3.47Å; G272-D287 VanDerWaalsContact N-OD2 3.16Å; H275-D287 IonicContact CD2-OD2 3.57Å; H275-D287 PolarHBondContact CD2-OD2 3.06Å; E283-D287 PolarHBondContact O-N 2.94Å; A284-D287 PolarHBondContact O-N 3.25Å; D287-A289 PolarHBondContact O-N 3.1Å; D287-K290 PolarHBondContact O-N 3.15Å; D287-V291 WeakPolarHBondContact O-CG2 3.31Å; D287-V291 PolarHBondContact O-N 2.76Å
288F98.6Very high97.5Very high1 Ų160 Ų600%0.00433%0.331CS..Hα-helixtrans-65.4-36.5176.7-75-43.6000113.1F269 K273 A284 Q285 K290 V291 L292 V302 E305 L306F269-F288 HydrophobicContact CD2-CD1 4.35Å; F269-F288 HydrophobicContact CD2-CE1 4.11Å; F269-F288 HydrophobicContact CE2-CE1 4.09Å; K273-F288 HydrophobicContact CG-CE1 4.28Å; K273-F288 HydrophobicContact CG-CZ 4.03Å; A284-F288 HydrophobicContact CB-CE2 4.38Å; A284-F288 WeakPolarHBondContact O-CB 3.5Å; A284-F288 WeakPolarHBondContact O-CD2 3.25Å; A284-F288 WeakPolarHBondContact O-CG 3.44Å; A284-F288 PolarHBondContact O-N 3.14Å; Q285-F288 PolarHBondContact O-N 2.94Å; F288-K290 VanDerWaalsContact C-N 3.32Å; F288-V291 WeakPolarHBondContact O-CB 3.29Å; F288-V291 PolarHBondContact O-N 3.35Å; F288-L292 WeakPolarHBondContact O-CG 3.49Å; F288-L292 PolarHBondContact O-N 3.17Å; F288-V302 HydrophobicContact CB-CG1 3.66Å; F288-V302 HydrophobicContact CD1-CG1 4.08Å; F288-V302 HydrophobicContact CD1-CG2 4.3Å; F288-V302 HydrophobicContact CG-CG1 3.99Å; F288-E305 HydrophobicContact CE1-CB 4.08Å; F288-E305 HydrophobicContact CE1-CG 4.3Å; F288-E305 HydrophobicContact CE2-CB 4Å; F288-E305 HydrophobicContact CZ-CB 3.59Å; F288-E305 HydrophobicContact CZ-CG 4.13Å; F288-L306 HydrophobicContact CB-CD2 4.21Å; F288-L306 HydrophobicContact CB-CG 4.43Å; F288-L306 HydrophobicContact CD2-CD2 3.64Å; F288-L306 HydrophobicContact CD2-CG 4.1Å; F288-L306 HydrophobicContact CE2-CD2 4.47Å; F288-L306 HydrophobicContact CG-CD2 4.29Å; F288-L306 HydrophobicContact CG-CG 4.48Å
289A98.3Very high97.6Very high58 Ų5860.5 Ų60.548%0.47934%0.338SS..Hα-helixtrans-62-42.4172.900000111Q285 A286 D287 V291 L292 E293Q285-A289 WeakPolarHBondContact O-CB 3.47Å; Q285-A289 PolarHBondContact O-N 2.9Å; A286-A289 PolarHBondContact O-N 3.44Å; D287-A289 PolarHBondContact O-N 3.1Å; A289-V291 VanDerWaalsContact C-N 3.34Å; A289-V291 PolarHBondContact O-N 3.04Å; A289-L292 PolarHBondContact O-N 3.47Å; A289-L292 VanDerWaalsContact O-N 3.15Å; A289-E293 PolarHBondContact O-N 2.93Å
290K98.5Very high97.8Very high51 Ų5159.5 Ų59.522%0.22235%0.347CS..Hα-helixtrans-66.2-34.8177.1-166.853.4169.5-177.80112.8Y268 A286 D287 F288 L292 E293 L294Y268-K290 HydrophobicContact CD1-CB 3.97Å; Y268-K290 HydrophobicContact CD1-CG 3.96Å; Y268-K290 HydrophobicContact CD2-CB 4.4Å; Y268-K290 HydrophobicContact CD2-CG 3.81Å; Y268-K290 HydrophobicContact CE1-CB 4.04Å; Y268-K290 HydrophobicContact CE1-CG 3.65Å; Y268-K290 HydrophobicContact CE2-CB 4.45Å; Y268-K290 HydrophobicContact CE2-CG 3.47Å; Y268-K290 VanDerWaalsContact CE2-CG 3.47Å; Y268-K290 HydrophobicContact CG-CB 4.18Å; Y268-K290 HydrophobicContact CG-CG 4.05Å; A286-K290 PolarHBondContact O-N 3.44Å; D287-K290 PolarHBondContact O-N 3.15Å; F288-K290 VanDerWaalsContact C-N 3.32Å; K290-L292 VanDerWaalsContact C-N 3.32Å; K290-L292 PolarHBondContact O-N 3.36Å; K290-E293 HydrophobicContact CD-CB 4.34Å; K290-E293 WeakPolarHBondContact CD-OE2 3.43Å; K290-E293 IonicContact NZ-OE1 3.57Å; K290-E293 PolarHBondContact NZ-OE1 2.97Å; K290-E293 IonicContact NZ-OE2 2.89Å; K290-E293 PolarHBondContact NZ-OE2 2.92Å; K290-E293 PolarHBondContact O-N 3.18Å; K290-L294 HydrophobicContact CD-CD1 4.48Å; K290-L294 HydrophobicContact CD-CG 4.42Å; K290-L294 HydrophobicContact CG-CD1 4.22Å; K290-L294 WeakPolarHBondContact O-CG 3.3Å; K290-L294 PolarHBondContact O-N 3.38Å; K290-L294 VanDerWaalsContact O-N 3.08Å
291V98.6Very high97.9Very high0 Ų059 Ų590%035%0.346CS..Hα-helixtrans-57.7-45170.51720000111.1V265 F269 D287 F288 A289 L294 D295 L298 V302V265-V291 HydrophobicContact CG1-CG1 3.99Å; F269-V291 HydrophobicContact CB-CG2 3.82Å; F269-V291 HydrophobicContact CD2-CG1 4.22Å; F269-V291 HydrophobicContact CD2-CG2 4.31Å; D287-V291 WeakPolarHBondContact O-CG2 3.31Å; D287-V291 PolarHBondContact O-N 2.76Å; F288-V291 WeakPolarHBondContact O-CB 3.29Å; F288-V291 PolarHBondContact O-N 3.35Å; A289-V291 VanDerWaalsContact C-N 3.34Å; A289-V291 PolarHBondContact O-N 3.04Å; V291-L294 PolarHBondContact O-N 3.42Å; V291-D295 CarbonylContact O-C 3.52Å; V291-D295 PolarHBondContact O-N 2.87Å; V291-L298 HydrophobicContact CG1-CB 4.04Å; V291-L298 HydrophobicContact CG1-CD1 3.61Å; V291-L298 HydrophobicContact CG1-CG 4.49Å; V291-V302 HydrophobicContact CB-CG2 4.31Å; V291-V302 HydrophobicContact CG1-CG2 3.78Å
292L98.3Very high98Very high54 Ų5457.9 Ų57.928%0.28334%0.336SS..Hα-helixtrans-72.2-29.9-179.1-63.2179.5000113.4F288 A289 K290 P296 A299 V302F288-L292 WeakPolarHBondContact O-CG 3.49Å; F288-L292 PolarHBondContact O-N 3.17Å; A289-L292 PolarHBondContact O-N 3.47Å; A289-L292 VanDerWaalsContact O-N 3.15Å; K290-L292 VanDerWaalsContact C-N 3.32Å; K290-L292 PolarHBondContact O-N 3.36Å; L292-P296 WeakPolarHBondContact O-CG 3.31Å; L292-A299 VanDerWaalsContact CD2-CA 3.46Å; L292-A299 HydrophobicContact CD2-CB 3.97Å; L292-V302 HydrophobicContact CD1-CB 4.44Å; L292-V302 HydrophobicContact CD1-CG1 3.91Å; L292-V302 HydrophobicContact CD2-CB 3.87Å; L292-V302 HydrophobicContact CD2-CG1 4.19Å; L292-V302 HydrophobicContact CD2-CG2 3.84Å; L292-V302 HydrophobicContact CG-CB 4.26Å; L292-V302 HydrophobicContact CG-CG1 4.02Å; L292-V302 HydrophobicContact CG-CG2 4.29Å
293E98.2Very high98Very high131 Ų13153.1 Ų53.161%0.61232%0.32SS*.Hα-helixtrans-64.5-43.7172.5-169-164.1136.900111.1A289 K290A289-E293 PolarHBondContact O-N 2.93Å; K290-E293 HydrophobicContact CD-CB 4.34Å; K290-E293 WeakPolarHBondContact CD-OE2 3.43Å; K290-E293 IonicContact NZ-OE1 3.57Å; K290-E293 PolarHBondContact NZ-OE1 2.97Å; K290-E293 IonicContact NZ-OE2 2.89Å; K290-E293 PolarHBondContact NZ-OE2 2.92Å; K290-E293 PolarHBondContact O-N 3.18Å
294L97.9Very high97.9Very high62 Ų6256 Ų5633%0.32533%0.327SS..Hα-helixtrans-83.1-36.3-176.9-64.9171.9000113.4V265 Y268 K290 V291V265-L294 HydrophobicContact CG2-CB 3.64Å; V265-L294 HydrophobicContact CG2-CD1 4.12Å; Y268-L294 HydrophobicContact CD2-CD1 3.88Å; Y268-L294 HydrophobicContact CE2-CD1 3.86Å; K290-L294 HydrophobicContact CD-CD1 4.48Å; K290-L294 HydrophobicContact CD-CG 4.42Å; K290-L294 HydrophobicContact CG-CD1 4.22Å; K290-L294 WeakPolarHBondContact O-CG 3.3Å; K290-L294 PolarHBondContact O-N 3.38Å; K290-L294 VanDerWaalsContact O-N 3.08Å; V291-L294 PolarHBondContact O-N 3.42Å
295D97.8Very high97.9Very high57 Ų5757.7 Ų57.731%0.30534%0.335SS..  trans-141.288.7179-173.5-3.7000111.6V265 V291 A297 L298V265-D295 HydrophobicContact CG1-CB 3.96Å; V265-D295 HydrophobicContact CG2-CB 4.28Å; V291-D295 CarbonylContact O-C 3.52Å; V291-D295 PolarHBondContact O-N 2.87Å; D295-A297 PolarHBondContact O-N 2.69Å; D295-A297 VanDerWaalsContact O-N 3.1Å; D295-A297 VanDerWaalsContact OD1-CB 3.27Å; D295-A297 WeakPolarHBondContact OD1-CB 3.34Å; D295-A297 PolarHBondContact OD1-N 3.02Å; D295-A297 VanDerWaalsContact OD1-N 3.07Å; D295-L298 HydrophobicContact CB-CD1 4.09Å; D295-L298 HydrophobicContact CB-CG 4.35Å; D295-L298 PolarHBondContact O-N 3.46Å; D295-L298 VanDerWaalsContact O-N 3.16Å
296P97.7Very high97.8Very high92 Ų9255.5 Ų55.560%0.59733%0.326SS*.G310 helixtrans-59.3-20.6178.1-25.934.4000114.6L292 L298 A299L292-P296 WeakPolarHBondContact O-CG 3.31Å; P296-L298 PolarHBondContact O-N 2.89Å; P296-A299 WeakPolarHBondContact O-CB 3.29Å; P296-A299 PolarHBondContact O-N 3Å
297A97.6Very high97.7Very high82 Ų8260.5 Ų60.568%0.67833%0.332SS*.G310 helixtrans-67.9-19.3179.900000112.4D295 A299 P300D295-A297 PolarHBondContact O-N 2.69Å; D295-A297 VanDerWaalsContact O-N 3.1Å; D295-A297 VanDerWaalsContact OD1-CB 3.27Å; D295-A297 WeakPolarHBondContact OD1-CB 3.34Å; D295-A297 PolarHBondContact OD1-N 3.02Å; D295-A297 VanDerWaalsContact OD1-N 3.07Å; A297-A299 PolarHBondContact O-N 2.94Å; A297-P300 WeakPolarHBondContact O-CD 3.4Å
298L97.6Very high97.5Very high50 Ų5062.7 Ų62.726%0.26235%0.352SS..G310 helixtrans-79.5-0.2176.4-66.3175.6000113.9V265 V291 D295 P296 P300 V301 V302V265-L298 HydrophobicContact CG1-CD1 3.57Å; V291-L298 HydrophobicContact CG1-CB 4.04Å; V291-L298 HydrophobicContact CG1-CD1 3.61Å; V291-L298 HydrophobicContact CG1-CG 4.49Å; D295-L298 HydrophobicContact CB-CD1 4.09Å; D295-L298 HydrophobicContact CB-CG 4.35Å; D295-L298 PolarHBondContact O-N 3.46Å; D295-L298 VanDerWaalsContact O-N 3.16Å; P296-L298 PolarHBondContact O-N 2.89Å; L298-P300 VanDerWaalsContact C-CD 3.5Å; L298-V301 PolarHBondContact O-N 3.07Å; L298-V302 HydrophobicContact CB-CG2 4.37Å; L298-V302 PolarHBondContact O-N 3.14Å
299A97.4Very high97.4Very high37 Ų3763 Ų6331%0.30635%0.353SS..Hα-helixtrans-46.4-49.4179.600000114.7L292 P296 A297 V301 V302 S303L292-A299 VanDerWaalsContact CD2-CA 3.46Å; L292-A299 HydrophobicContact CD2-CB 3.97Å; P296-A299 WeakPolarHBondContact O-CB 3.29Å; P296-A299 PolarHBondContact O-N 3Å; A297-A299 PolarHBondContact O-N 2.94Å; A299-V301 VanDerWaalsContact C-N 3.27Å; A299-V301 PolarHBondContact O-N 2.92Å; A299-V302 PolarHBondContact O-N 2.84Å; A299-S303 WeakPolarHBondContact O-CB 3.41Å; A299-S303 PolarHBondContact O-N 3.14Å; A299-S303 PolarHBondContact O-OG 3.2Å
300P98Very high97.1Very high97 Ų9764.6 Ų64.663%0.6335%0.35SS*.Hα-helixtrans-61.4-35.5-179.7-22.734.7000113.4A297 L298 R304A297-P300 WeakPolarHBondContact O-CD 3.4Å; L298-P300 VanDerWaalsContact C-CD 3.5Å; P300-R304 PolarHBondContact O-N 2.96Å
301V97.2Very high96.9Very high51 Ų5164.8 Ų64.831%0.30936%0.362SS..Hα-helixtrans-74-48-179.3-1750000109.9F269 L298 A299 S303 R304 E305F269-V301 HydrophobicContact CE2-CG1 3.88Å; F269-V301 HydrophobicContact CZ-CG1 3.62Å; L298-V301 PolarHBondContact O-N 3.07Å; A299-V301 VanDerWaalsContact C-N 3.27Å; A299-V301 PolarHBondContact O-N 2.92Å; V301-S303 PolarHBondContact O-N 3.12Å; V301-R304 WeakPolarHBondContact O-CB 3.5Å; V301-R304 PolarHBondContact O-N 3.24Å; V301-R304 VanDerWaalsContact O-N 3.13Å; V301-E305 PolarHBondContact O-N 3.06Å
302V97.9Very high96.7Very high0 Ų071.2 Ų71.20%039%0.386CS..Hα-helixtrans-62.2-43.6178.5172.20000111.4F269 F288 V291 L292 L298 A299 R304 E305 L306F269-V302 HydrophobicContact CD2-CG2 4.24Å; F269-V302 HydrophobicContact CE2-CG2 4.1Å; F288-V302 HydrophobicContact CB-CG1 3.66Å; F288-V302 HydrophobicContact CD1-CG1 4.08Å; F288-V302 HydrophobicContact CD1-CG2 4.3Å; F288-V302 HydrophobicContact CG-CG1 3.99Å; V291-V302 HydrophobicContact CB-CG2 4.31Å; V291-V302 HydrophobicContact CG1-CG2 3.78Å; L292-V302 HydrophobicContact CD1-CB 4.44Å; L292-V302 HydrophobicContact CD1-CG1 3.91Å; L292-V302 HydrophobicContact CD2-CB 3.87Å; L292-V302 HydrophobicContact CD2-CG1 4.19Å; L292-V302 HydrophobicContact CD2-CG2 3.84Å; L292-V302 HydrophobicContact CG-CB 4.26Å; L292-V302 HydrophobicContact CG-CG1 4.02Å; L292-V302 HydrophobicContact CG-CG2 4.29Å; L298-V302 HydrophobicContact CB-CG2 4.37Å; L298-V302 PolarHBondContact O-N 3.14Å; A299-V302 PolarHBondContact O-N 2.84Å; V302-R304 PolarHBondContact O-N 3.21Å; V302-E305 PolarHBondContact O-N 2.84Å; V302-E305 VanDerWaalsContact O-N 3.1Å; V302-L306 HydrophobicContact CG1-CD1 3.8Å; V302-L306 HydrophobicContact CG1-CG 4.18Å; V302-L306 WeakPolarHBondContact O-CG 3.1Å; V302-L306 PolarHBondContact O-N 2.9Å
303S96.6Very high96.4Very high56 Ų5671 Ų7139%0.39239%0.385SS..Hα-helixtrans-62.2-25.4176.7-61.80000113.1A299 V301 R307A299-S303 WeakPolarHBondContact O-CB 3.41Å; A299-S303 PolarHBondContact O-N 3.14Å; A299-S303 PolarHBondContact O-OG 3.2Å; V301-S303 PolarHBondContact O-N 3.12Å; S303-R307 WeakPolarHBondContact O-CB 3.45Å; S303-R307 VanDerWaalsContact O-CG 3.26Å; S303-R307 WeakPolarHBondContact O-CG 3.36Å; S303-R307 PolarHBondContact O-N 2.97Å; S303-R307 PolarHBondContact O-NE 3.38Å; S303-R307 VanDerWaalsContact O-NE 3.11Å
304R97.4Very high96.1Very high146 Ų14672.1 Ų72.155%0.55138%0.383SS*.Hα-helixtrans-73.5-45.1172.9-174.6-177.164.9-166.3-2.4111.3P300 V301 V302 R307 A308P300-R304 PolarHBondContact O-N 2.96Å; V301-R304 WeakPolarHBondContact O-CB 3.5Å; V301-R304 PolarHBondContact O-N 3.24Å; V301-R304 VanDerWaalsContact O-N 3.13Å; V302-R304 PolarHBondContact O-N 3.21Å; R304-R307 PolarHBondContact O-N 2.8Å; R304-A308 PolarHBondContact O-N 3.49Å; R304-A308 VanDerWaalsContact O-N 3.12Å
305E97.4Very high95.8Very high36 Ų3674.5 Ų74.517%0.16839%0.393CS..Hα-helixtrans-64.4-42.7178.5-57.1-64145.600111.2F269 K273 F288 V301 V302 A308 L309F269-E305 HydrophobicContact CE2-CG 4.46Å; F269-E305 HydrophobicContact CZ-CG 4.18Å; K273-E305 WeakPolarHBondContact CE-OE2 3.33Å; K273-E305 IonicContact NZ-OE1 3.96Å; K273-E305 IonicContact NZ-OE2 3.93Å; F288-E305 HydrophobicContact CE1-CB 4.08Å; F288-E305 HydrophobicContact CE1-CG 4.3Å; F288-E305 HydrophobicContact CE2-CB 4Å; F288-E305 HydrophobicContact CZ-CB 3.59Å; F288-E305 HydrophobicContact CZ-CG 4.13Å; V301-E305 PolarHBondContact O-N 3.06Å; V302-E305 PolarHBondContact O-N 2.84Å; V302-E305 VanDerWaalsContact O-N 3.1Å; E305-A308 WeakPolarHBondContact O-CB 3.04Å; E305-A308 PolarHBondContact O-N 3Å; E305-L309 PolarHBondContact O-N 3.03Å
306L96.1Very high95.4Very high38 Ų3875.8 Ų75.820%0.19940%0.396CS..Hα-helixtrans-62.1-45.5176.8-73173.1000112.5Q285 F288 V302 A308 L309 E310Q285-L306 HydrophobicContact CG-CD2 3.95Å; F288-L306 HydrophobicContact CB-CD2 4.21Å; F288-L306 HydrophobicContact CB-CG 4.43Å; F288-L306 HydrophobicContact CD2-CD2 3.64Å; F288-L306 HydrophobicContact CD2-CG 4.1Å; F288-L306 HydrophobicContact CE2-CD2 4.47Å; F288-L306 HydrophobicContact CG-CD2 4.29Å; F288-L306 HydrophobicContact CG-CG 4.48Å; V302-L306 HydrophobicContact CG1-CD1 3.8Å; V302-L306 HydrophobicContact CG1-CG 4.18Å; V302-L306 WeakPolarHBondContact O-CG 3.1Å; V302-L306 PolarHBondContact O-N 2.9Å; L306-A308 VanDerWaalsContact C-N 3.28Å; L306-A308 PolarHBondContact O-N 3.13Å; L306-L309 WeakPolarHBondContact O-CB 3.45Å; L306-L309 PolarHBondContact O-N 3.46Å; L306-E310 WeakPolarHBondContact O-CG 3.25Å; L306-E310 PolarHBondContact O-N 3.49Å
307R96.4Very high95Very high165 Ų16575.1 Ų75.162%0.62339%0.387SS*.Hα-helixtrans-60.2-38.6175.5-78.7-176-65.6161.4-3.1112.3S303 R304 A311S303-R307 WeakPolarHBondContact O-CB 3.45Å; S303-R307 VanDerWaalsContact O-CG 3.26Å; S303-R307 WeakPolarHBondContact O-CG 3.36Å; S303-R307 PolarHBondContact O-N 2.97Å; S303-R307 PolarHBondContact O-NE 3.38Å; S303-R307 VanDerWaalsContact O-NE 3.11Å; R304-R307 PolarHBondContact O-N 2.8Å; R307-A311 WeakPolarHBondContact O-CB 3.5Å; R307-A311 PolarHBondContact O-N 3.22Å
308A95Very high94.8Very high53 Ų5376.7 Ų76.744%0.43838%0.38SS..Hα-helixtrans-66.2-41176.700000111.8R304 E305 L306 R312R304-A308 PolarHBondContact O-N 3.49Å; R304-A308 VanDerWaalsContact O-N 3.12Å; E305-A308 WeakPolarHBondContact O-CB 3.04Å; E305-A308 PolarHBondContact O-N 3Å; L306-A308 VanDerWaalsContact C-N 3.28Å; L306-A308 PolarHBondContact O-N 3.13Å; A308-R312 WeakPolarHBondContact O-CG 3.48Å; A308-R312 PolarHBondContact O-N 3.11Å; A308-R312 VanDerWaalsContact O-N 3.16Å
309L94.7Very high94.4Very high6 Ų679.4 Ų79.43%0.03139%0.392CS..Hα-helixtrans-63.3-48.4175.2177.459.7000111.6A276 A281 A284 Q285 E305 L306 A311 R312 I313A276-L309 HydrophobicContact CB-CD1 4.15Å; A276-L309 HydrophobicContact CB-CD2 4.31Å; A281-L309 HydrophobicContact CB-CD1 4.43Å; A281-L309 HydrophobicContact CB-CD2 4.42Å; A284-L309 HydrophobicContact CB-CD2 3.89Å; Q285-L309 HydrophobicContact CG-CD2 4.47Å; E305-L309 PolarHBondContact O-N 3.03Å; L306-L309 WeakPolarHBondContact O-CB 3.45Å; L306-L309 PolarHBondContact O-N 3.46Å; L309-A311 VanDerWaalsContact C-N 3.32Å; L309-A311 PolarHBondContact O-N 3.35Å; L309-R312 PolarHBondContact O-N 2.7Å; L309-I313 HydrophobicContact CD1-CD1 4Å; L309-I313 HydrophobicContact CD1-CG1 4.3Å; L309-I313 HydrophobicContact CG-CD1 3.91Å; L309-I313 WeakPolarHBondContact O-CG1 3.38Å; L309-I313 PolarHBondContact O-N 2.82Å
310E93.9Very high94Very high92 Ų9280.3 Ų80.343%0.4339%0.392SS..Hα-helixtrans-59-41.2177.8-73.5172.1-178.200112.5L306 I313 R314L306-E310 WeakPolarHBondContact O-CG 3.25Å; L306-E310 PolarHBondContact O-N 3.49Å; E310-I313 PolarHBondContact O-N 3.04Å; E310-R314 WeakPolarHBondContact O-CB 3.18Å; E310-R314 PolarHBondContact O-N 3.41Å
311A94.1Very high93.6Very high56 Ų5682 Ų8246%0.46339%0.389SS..Hα-helixtrans-62.7-43.2176.500000111.9R307 L309 R314 Q315R307-A311 WeakPolarHBondContact O-CB 3.5Å; R307-A311 PolarHBondContact O-N 3.22Å; L309-A311 VanDerWaalsContact C-N 3.32Å; L309-A311 PolarHBondContact O-N 3.35Å; A311-R314 PolarHBondContact O-N 2.75Å; A311-Q315 PolarHBondContact O-N 3.37Å
312R92.9Very high93.2Very high134 Ų13482 Ų8251%0.50639%0.394SS..Hα-helixtrans-64.8-40.2176.9-74.6179.3117171.82.4112.4W279 A308 L309 K316W279-R312 HydrophobicContact CH2-CB 4.19Å; W279-R312 HydrophobicContact CZ3-CB 4.24Å; A308-R312 WeakPolarHBondContact O-CG 3.48Å; A308-R312 PolarHBondContact O-N 3.11Å; A308-R312 VanDerWaalsContact O-N 3.16Å; L309-R312 PolarHBondContact O-N 2.7Å; R312-K316 PolarHBondContact O-N 3.04Å; R312-K316 VanDerWaalsContact O-N 3.13Å
313I92.1Very high92.6Very high49 Ų4990.6 Ų90.625%0.25143%0.427SS..Hα-helixtrans-63.1-48.6176.1-67.1165.7000110A281 L309 E310 Q315 K316 D317A281-I313 HydrophobicContact CB-CD1 3.66Å; L309-I313 HydrophobicContact CD1-CD1 4Å; L309-I313 HydrophobicContact CD1-CG1 4.3Å; L309-I313 HydrophobicContact CG-CD1 3.91Å; L309-I313 WeakPolarHBondContact O-CG1 3.38Å; L309-I313 PolarHBondContact O-N 2.82Å; E310-I313 PolarHBondContact O-N 3.04Å; I313-Q315 VanDerWaalsContact C-N 3.34Å; I313-Q315 PolarHBondContact O-N 2.99Å; I313-K316 PolarHBondContact O-N 3.05Å; I313-K316 VanDerWaalsContact O-N 3.15Å; I313-D317 PolarHBondContact O-N 3.06Å
314R92.4Very high92Very high156 Ų15693.4 Ų93.459%0.58943%0.432SS*.Hα-helixtrans-59.6-43.8179.7-174.1179.5-59.91566112.4E310 A311 K316 D317 E318E310-R314 WeakPolarHBondContact O-CB 3.18Å; E310-R314 PolarHBondContact O-N 3.41Å; A311-R314 PolarHBondContact O-N 2.75Å; R314-K316 VanDerWaalsContact C-N 3.32Å; R314-K316 PolarHBondContact O-N 3.18Å; R314-D317 PolarHBondContact O-N 3.11Å; R314-E318 WeakPolarHBondContact O-CG 3.3Å; R314-E318 PolarHBondContact O-N 3.37Å
315Q91.7Very high91.3Very high111 Ų11194.9 Ų94.952%0.51944%0.438SS..Hα-helixtrans-59-45.8176.6-177.7-175.7-10.500111.1A311 I313 E318 E319A311-Q315 PolarHBondContact O-N 3.37Å; I313-Q315 VanDerWaalsContact C-N 3.34Å; I313-Q315 PolarHBondContact O-N 2.99Å; Q315-E318 PolarHBondContact O-N 3.16Å; Q315-E319 WeakPolarHBondContact CG-OE1 3.48Å; Q315-E319 PolarHBondContact NE2-OE1 3.22Å; Q315-E319 WeakPolarHBondContact O-CG 3.37Å; Q315-E319 PolarHBondContact O-N 3.37Å
316K89.2Confident90Very high84 Ų8495.3 Ų95.337%0.36545%0.452SS..Hα-helixtrans-63.2-42.8178.3-173.7167.7-176.9167.90112.4W279 R312 I313 R314 E318 E319 D320W279-K316 HydrophobicContact CE3-CD 4.04Å; W279-K316 HydrophobicContact CH2-CB 4.42Å; W279-K316 HydrophobicContact CH2-CD 4.04Å; W279-K316 HydrophobicContact CZ3-CB 4.21Å; W279-K316 HydrophobicContact CZ3-CD 3.69Å; R312-K316 PolarHBondContact O-N 3.04Å; R312-K316 VanDerWaalsContact O-N 3.13Å; I313-K316 PolarHBondContact O-N 3.05Å; I313-K316 VanDerWaalsContact O-N 3.15Å; R314-K316 VanDerWaalsContact C-N 3.32Å; R314-K316 PolarHBondContact O-N 3.18Å; K316-E318 VanDerWaalsContact C-N 3.28Å; K316-E318 PolarHBondContact O-N 2.86Å; K316-E319 PolarHBondContact O-N 2.66Å; K316-D320 WeakPolarHBondContact O-CB 3.42Å; K316-D320 PolarHBondContact O-N 3.41Å
317D90.2Very high89.1Confident79 Ų7998.4 Ų98.442%0.42247%0.468SS..Hα-helixtrans-61.6-36.8176.2-70.5-17.2000112.1I313 R314 K321I313-D317 PolarHBondContact O-N 3.06Å; R314-D317 PolarHBondContact O-N 3.11Å; D317-K321 VanDerWaalsContact O-CB 3.31Å; D317-K321 WeakPolarHBondContact O-CB 3.48Å; D317-K321 WeakPolarHBondContact O-CD 3.33Å; D317-K321 WeakPolarHBondContact O-CG 3.2Å; D317-K321 PolarHBondContact O-N 2.7Å
318E92.1Very high87.5Confident114 Ų11498.7 Ų98.753%0.53347%0.474SS..Hα-helixtrans-68.6-42.9175.7-74.2173-173.900112.1R314 Q315 K316 K321 A322R314-E318 WeakPolarHBondContact O-CG 3.3Å; R314-E318 PolarHBondContact O-N 3.37Å; Q315-E318 PolarHBondContact O-N 3.16Å; K316-E318 VanDerWaalsContact C-N 3.28Å; K316-E318 PolarHBondContact O-N 2.86Å; E318-K321 PolarHBondContact O-N 2.89Å; E318-A322 WeakPolarHBondContact O-CB 3.28Å; E318-A322 PolarHBondContact O-N 2.56Å
319E89.7Confident85.8Confident107 Ų107100.1 Ų100.150%0.548%0.481SS..Hα-helixtrans-61.5-46.9174.5-72.8172.3-169.400111.4Q315 K316 A322 R323Q315-E319 WeakPolarHBondContact CG-OE1 3.48Å; Q315-E319 PolarHBondContact NE2-OE1 3.22Å; Q315-E319 WeakPolarHBondContact O-CG 3.37Å; Q315-E319 PolarHBondContact O-N 3.37Å; K316-E319 PolarHBondContact O-N 2.66Å; E319-A322 WeakPolarHBondContact O-CB 3.44Å; E319-A322 PolarHBondContact O-N 3.47Å; E319-R323 WeakPolarHBondContact O-CB 3.48Å; E319-R323 PolarHBondContact O-N 3.08Å
320D88.7Confident83.7Confident57 Ų57111.6 Ų111.631%0.30553%0.534SS..Hα-helixtrans-63.7-44.7177.5-76.8-23000111K316 A322 R323 F324K316-D320 WeakPolarHBondContact O-CB 3.42Å; K316-D320 PolarHBondContact O-N 3.41Å; D320-A322 VanDerWaalsContact C-N 3.31Å; D320-A322 PolarHBondContact O-N 2.87Å; D320-R323 PolarHBondContact O-N 3.36Å; D320-F324 HydrophobicContact CB-CD2 4.34Å; D320-F324 HydrophobicContact CB-CE2 4.11Å; D320-F324 WeakPolarHBondContact O-CD2 3.36Å; D320-F324 PolarHBondContact O-N 2.94Å
321K90.1Very high83.2Confident133 Ų133112.6 Ų112.658%0.57854%0.539SS*.Hα-helixtrans-59.1-39.3173.4-77.9169.2-173.4168.80112.5D317 E318 R325D317-K321 VanDerWaalsContact O-CB 3.31Å; D317-K321 WeakPolarHBondContact O-CB 3.48Å; D317-K321 WeakPolarHBondContact O-CD 3.33Å; D317-K321 WeakPolarHBondContact O-CG 3.2Å; D317-K321 PolarHBondContact O-N 2.7Å; E318-K321 PolarHBondContact O-N 2.89Å; K321-R325 WeakPolarHBondContact O-CG 3.37Å; K321-R325 PolarHBondContact O-N 3.48Å; K321-R325 PolarHBondContact O-NE 2.99Å
322A88.6Confident82.7Confident51 Ų51115.6 Ų115.642%0.42154%0.543SS..Hα-helixtrans-65.9-44.2175.500000111.4E318 E319 D320 R325 G326E318-A322 WeakPolarHBondContact O-CB 3.28Å; E318-A322 PolarHBondContact O-N 2.56Å; E319-A322 WeakPolarHBondContact O-CB 3.44Å; E319-A322 PolarHBondContact O-N 3.47Å; D320-A322 VanDerWaalsContact C-N 3.31Å; D320-A322 PolarHBondContact O-N 2.87Å; A322-R325 PolarHBondContact O-N 3.49Å; A322-G326 PolarHBondContact O-N 3.24Å
323R85.5Confident82.1Confident180 Ų180114.6 Ų114.668%0.67955%0.545SS*.Hα-helixtrans-61.9-45.6177.5-172.3178.9-179.8-174.10.4112.4E319 D320 R325 G326E319-R323 WeakPolarHBondContact O-CB 3.48Å; E319-R323 PolarHBondContact O-N 3.08Å; D320-R323 PolarHBondContact O-N 3.36Å; R323-R325 PolarHBondContact O-N 3.47Å; R323-G326 PolarHBondContact O-N 3.25Å
324F84.1Confident81.5Confident115 Ų115118.4 Ų118.450%0.50456%0.562SS.*Hα-helixtrans-67-34.6179.2-72.4-61.3000112.7D320 G326 I327 F328D320-F324 HydrophobicContact CB-CD2 4.34Å; D320-F324 HydrophobicContact CB-CE2 4.11Å; D320-F324 WeakPolarHBondContact O-CD2 3.36Å; D320-F324 PolarHBondContact O-N 2.94Å; F324-G326 VanDerWaalsContact C-N 3.25Å; F324-G326 PolarHBondContact O-N 3.31Å; F324-I327 HydrophobicContact CD1-CD1 4.24Å; F324-I327 PolarHBondContact O-N 2.83Å; F324-I327 VanDerWaalsContact O-N 3.13Å; F324-F328 WeakPolarHBondContact O-CD2 3.29Å
325R81.9Confident80.8Confident176 Ų176116.1 Ų116.166%0.66456%0.561SS**Hα-helixtrans-58.9-35.1174.2-81-177.6-70.1-1580.7113.2K321 A322 R323 I327 S329K321-R325 WeakPolarHBondContact O-CG 3.37Å; K321-R325 PolarHBondContact O-N 3.48Å; K321-R325 PolarHBondContact O-NE 2.99Å; A322-R325 PolarHBondContact O-N 3.49Å; R323-R325 PolarHBondContact O-N 3.47Å; R325-I327 VanDerWaalsContact C-N 3.33Å; R325-S329 PolarHBondContact O-OG 3.46Å
326G70.4Confident80.1Confident46 Ų46116.4 Ų116.447%0.47456%0.563SS.*Hα-helixtrans-74-18.7177.600000114.9A322 R323 F324 S329A322-G326 PolarHBondContact O-N 3.24Å; R323-G326 PolarHBondContact O-N 3.25Å; F324-G326 VanDerWaalsContact C-N 3.25Å; F324-G326 PolarHBondContact O-N 3.31Å; G326-S329 PolarHBondContact O-OG 3.29Å
327I76.6Confident79.4Confident103 Ų103118.7 Ų118.753%0.52858%0.578SS.*Hα-helixtrans-83.5-29.3-178.1-66.9170.9000111.8F324 R325F324-I327 HydrophobicContact CD1-CD1 4.24Å; F324-I327 PolarHBondContact O-N 2.83Å; F324-I327 VanDerWaalsContact O-N 3.13Å; R325-I327 VanDerWaalsContact C-N 3.33Å
328F64.5Low78.6Confident170 Ų170121.8 Ų121.875%0.74659%0.59SS**SBendtrans-96.56.6-177.7-62.8-72.1000114.3F324F324-F328 WeakPolarHBondContact O-CD2 3.29Å
329S58.4Low77.5Confident84 Ų84122.4 Ų122.459%0.58759%0.594SS**  trans-97.728.3-178.740.60000114.3R325 G326R325-S329 PolarHBondContact O-OG 3.46Å; G326-S329 PolarHBondContact O-OG 3.29Å
330H51.4Low76.4Confident247 Ų247123.8 Ų123.8100%1.14460%0.603SS**  trans-117.40172.1-88.6-47.1000112.9

Retrieved 330 of 330 residues in 2079.5 ms (Link to these results)

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