A0A077ZBE4_TRITR Loading...

SIS and HTH 6 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBE4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 236 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
1M73.1Confident85.5Confident78 Ų7877.7 Ų77.738%0.38446%0.462SS..  0-25.50-81.6-169.4-8500112.1D3 I4 R5 I15 F27M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 2.93Å; M1-I4 PolarHBondContact O-N 2.86Å; M1-R5 WeakPolarHBondContact O-CG 3.47Å; M1-R5 PolarHBondContact O-N 3.23Å; M1-I15 HydrophobicContact SD-CG2 4.35Å; M1-F27 HydrophobicContact CE-CB 4.44Å; M1-F27 HydrophobicContact CE-CD1 4.25Å; M1-F27 HydrophobicContact CG-CD1 3.34Å; M1-F27 HydrophobicContact CG-CE1 3.55Å; M1-F27 HydrophobicContact CG-CG 3.94Å; M1-F27 HydrophobicContact CG-CZ 4.32Å; M1-F27 HydrophobicContact SD-CB 3.87Å; M1-F27 HydrophobicContact SD-CD1 3.67Å; M1-F27 HydrophobicContact SD-CE1 4.46Å; M1-F27 HydrophobicContact SD-CG 3.78Å
2S75.5Confident85.9Confident25 Ų2576.3 Ų76.318%0.17545%0.45CS..Hα-helixtrans-41.3-57.2173.344.30000113.1I4 R5 E6S2-I4 VanDerWaalsContact C-N 3.29Å; S2-I4 PolarHBondContact O-N 3.39Å; S2-R5 WeakPolarHBondContact O-CB 3.33Å; S2-R5 PolarHBondContact O-N 3.38Å; S2-R5 VanDerWaalsContact O-N 3.12Å; S2-E6 PolarHBondContact O-N 3.48Å
3D80.1Confident86.5Confident83 Ų8373.7 Ų73.744%0.44445%0.45SS..Hα-helixtrans-67.1-33.3-169.9-43.8-9.4000111.7M1 A7M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 2.93Å; D3-A7 VanDerWaalsContact O-CB 3.31Å; D3-A7 WeakPolarHBondContact O-CB 3.34Å; D3-A7 PolarHBondContact O-N 2.95Å
4I84.3Confident87Confident70 Ų7073.4 Ų73.436%0.35945%0.448SS..Hα-helixtrans-75.2-38.8177.3-66167.6000111M1 S2 E6 A7 A8 I15 F27M1-I4 PolarHBondContact O-N 2.86Å; S2-I4 VanDerWaalsContact C-N 3.29Å; S2-I4 PolarHBondContact O-N 3.39Å; I4-E6 VanDerWaalsContact C-N 3.28Å; I4-E6 PolarHBondContact O-N 3.3Å; I4-A7 PolarHBondContact O-N 3.17Å; I4-A8 VanDerWaalsContact O-CB 3.27Å; I4-A8 WeakPolarHBondContact O-CB 3.4Å; I4-A8 PolarHBondContact O-N 3.37Å; I4-I15 HydrophobicContact CB-CD1 4.36Å; I4-I15 HydrophobicContact CG2-CD1 3.79Å; I4-I15 HydrophobicContact CG2-CG1 4.44Å; I4-F27 HydrophobicContact CD1-CE1 4.16Å; I4-F27 HydrophobicContact CD1-CE2 3.45Å; I4-F27 VanDerWaalsContact CD1-CE2 3.45Å; I4-F27 HydrophobicContact CD1-CZ 3.13Å
5R86Confident87.5Confident96 Ų9669.3 Ų69.336%0.36242%0.423SS..Hα-helixtrans-59.6-43.5174.6-72.3-172.3-62.4-164.213.2111M1 S2 T9 V10 D12 I15M1-R5 WeakPolarHBondContact O-CG 3.47Å; M1-R5 PolarHBondContact O-N 3.23Å; S2-R5 WeakPolarHBondContact O-CB 3.33Å; S2-R5 PolarHBondContact O-N 3.38Å; S2-R5 VanDerWaalsContact O-N 3.12Å; R5-T9 WeakPolarHBondContact O-CA 3.48Å; R5-T9 PolarHBondContact O-N 3.17Å; R5-V10 WeakPolarHBondContact CA-O 3.33Å; R5-V10 WeakPolarHBondContact CB-O 3.42Å; R5-V10 VanDerWaalsContact CG-O 3.27Å; R5-V10 WeakPolarHBondContact CG-O 3.5Å; R5-V10 PolarHBondContact O-N 3.44Å; R5-V10 VanDerWaalsContact O-N 3.09Å; R5-D12 VanDerWaalsContact CD-OD1 3.26Å; R5-D12 WeakPolarHBondContact CD-OD1 3.36Å; R5-D12 IonicContact CZ-OD1 2.73Å; R5-D12 IonicContact CZ-OD2 3.75Å; R5-D12 IonicContact NE-OD1 3.43Å; R5-D12 IonicContact NH1-OD1 2.69Å; R5-D12 PolarHBondContact NH1-OD1 3.21Å; R5-D12 IonicContact NH1-OD2 3.89Å; R5-D12 PolarHBondContact NH1-OD2 2.99Å; R5-I15 HydrophobicContact CG-CD1 3.59Å
6E85.9Confident87.9Confident139 Ų13968.9 Ų68.965%0.6542%0.416SS*.Hα-helixtrans-65.8-51.6177.7-72.5172.4-165.200111S2 I4 A8 T9S2-E6 PolarHBondContact O-N 3.48Å; I4-E6 VanDerWaalsContact C-N 3.28Å; I4-E6 PolarHBondContact O-N 3.3Å; E6-A8 PolarHBondContact O-N 3.1Å; E6-T9 PolarHBondContact O-N 3.13Å
7A88Confident88.3Confident89 Ų8975.5 Ų75.574%0.73643%0.431SS*.Hα-helixtrans-63-38.9-178.700000113.5D3 I4D3-A7 VanDerWaalsContact O-CB 3.31Å; D3-A7 WeakPolarHBondContact O-CB 3.34Å; D3-A7 PolarHBondContact O-N 2.95Å; I4-A7 PolarHBondContact O-N 3.17Å
8A90Very high88.7Confident56 Ų5677.7 Ų77.746%0.46344%0.435SS..Hα-helixtrans-91.9-5.3179.900000113.4I4 E6 V10I4-A8 VanDerWaalsContact O-CB 3.27Å; I4-A8 WeakPolarHBondContact O-CB 3.4Å; I4-A8 PolarHBondContact O-N 3.37Å; E6-A8 PolarHBondContact O-N 3.1Å; A8-V10 VanDerWaalsContact C-N 3.33Å; A8-V10 HydrophobicContact CB-CG2 3.82Å; A8-V10 PolarHBondContact O-N 3.1Å
9T91.8Very high89Confident129 Ų12973.6 Ų73.679%0.79141%0.412SS*.THydrogen-bonded Turntrans52.247-175.8-45.80000112.7R5 E6R5-T9 WeakPolarHBondContact O-CA 3.48Å; R5-T9 PolarHBondContact O-N 3.17Å; E6-T9 PolarHBondContact O-N 3.13Å
10V93.4Very high89.3Confident49 Ų4975.7 Ų75.730%0.29742%0.418SS..  trans-136.4156.9-178.8-66.10000112.8R5 A8 T14 I15R5-V10 WeakPolarHBondContact CA-O 3.33Å; R5-V10 WeakPolarHBondContact CB-O 3.42Å; R5-V10 VanDerWaalsContact CG-O 3.27Å; R5-V10 WeakPolarHBondContact CG-O 3.5Å; R5-V10 PolarHBondContact O-N 3.44Å; R5-V10 VanDerWaalsContact O-N 3.09Å; A8-V10 VanDerWaalsContact C-N 3.33Å; A8-V10 HydrophobicContact CB-CG2 3.82Å; A8-V10 PolarHBondContact O-N 3.1Å; V10-T14 HydrophobicContact CB-CG2 4.01Å; V10-T14 HydrophobicContact CG1-CG2 3.93Å; V10-T14 HydrophobicContact CG2-CG2 4.44Å; V10-I15 HydrophobicContact CG2-CD1 4.27Å; V10-I15 HydrophobicContact CG2-CG1 3.78Å
11G92Very high89.7Confident41 Ų4180.8 Ų80.842%0.42344%0.437SS..  trans-81165.2173.400000113.7G13 T14 I15G11-G13 PolarHBondContact O-N 3Å; G11-T14 WeakPolarHBondContact O-CB 3.5Å; G11-T14 PolarHBondContact O-N 2.83Å; G11-I15 PolarHBondContact O-N 3.05Å
12D90.4Very high90.7Very high60 Ų6080.9 Ų80.932%0.32144%0.438SS..Hα-helixtrans-55.5-39179.6-66-53.7000112.5R5 T14 I15 M16R5-D12 VanDerWaalsContact CD-OD1 3.26Å; R5-D12 WeakPolarHBondContact CD-OD1 3.36Å; R5-D12 IonicContact CZ-OD1 2.73Å; R5-D12 IonicContact CZ-OD2 3.75Å; R5-D12 IonicContact NE-OD1 3.43Å; R5-D12 IonicContact NH1-OD1 2.69Å; R5-D12 PolarHBondContact NH1-OD1 3.21Å; R5-D12 IonicContact NH1-OD2 3.89Å; R5-D12 PolarHBondContact NH1-OD2 2.99Å; D12-T14 VanDerWaalsContact C-N 3.26Å; D12-T14 PolarHBondContact O-N 3.04Å; D12-I15 PolarHBondContact O-N 3.31Å; D12-M16 WeakPolarHBondContact O-CG 3.17Å; D12-M16 PolarHBondContact O-N 2.84Å
13G93.5Very high91.7Very high43 Ų4382.9 Ų82.944%0.44346%0.462SS..Hα-helixtrans-60.1-34.1178.400000113.2G11 R17G11-G13 PolarHBondContact O-N 3Å; G13-R17 WeakPolarHBondContact O-CB 3.31Å; G13-R17 WeakPolarHBondContact O-CG 3.48Å; G13-R17 PolarHBondContact O-N 2.65Å
14T94.6Very high92.4Very high70 Ų7082 Ų8243%0.42946%0.455SS..Hα-helixtrans-72.2-43.5176.2-55.90000111.1V10 G11 D12 M16 R17 F18V10-T14 HydrophobicContact CB-CG2 4.01Å; V10-T14 HydrophobicContact CG1-CG2 3.93Å; V10-T14 HydrophobicContact CG2-CG2 4.44Å; G11-T14 WeakPolarHBondContact O-CB 3.5Å; G11-T14 PolarHBondContact O-N 2.83Å; D12-T14 VanDerWaalsContact C-N 3.26Å; D12-T14 PolarHBondContact O-N 3.04Å; T14-M16 VanDerWaalsContact C-N 3.33Å; T14-M16 PolarHBondContact O-N 2.8Å; T14-R17 PolarHBondContact O-N 3.24Å; T14-F18 WeakPolarHBondContact O-CB 3.36Å; T14-F18 PolarHBondContact O-N 2.85Å
15I93.7Very high92.6Very high12 Ų1282.7 Ų82.76%0.06247%0.466CS..Hα-helixtrans-60.8-44.6176.7-61.5173.2000110.3M1 I4 R5 V10 G11 D12 F18 C19 F27M1-I15 HydrophobicContact SD-CG2 4.35Å; I4-I15 HydrophobicContact CB-CD1 4.36Å; I4-I15 HydrophobicContact CG2-CD1 3.79Å; I4-I15 HydrophobicContact CG2-CG1 4.44Å; R5-I15 HydrophobicContact CG-CD1 3.59Å; V10-I15 HydrophobicContact CG2-CD1 4.27Å; V10-I15 HydrophobicContact CG2-CG1 3.78Å; G11-I15 PolarHBondContact O-N 3.05Å; D12-I15 PolarHBondContact O-N 3.31Å; I15-F18 WeakPolarHBondContact O-CB 3.48Å; I15-F18 PolarHBondContact O-N 3.21Å; I15-C19 PolarHBondContact O-N 2.86Å; I15-C19 PolarHBondContact O-SG 3.43Å; I15-F27 HydrophobicContact CG2-CB 4.42Å; I15-F27 HydrophobicContact CG2-CD2 3.74Å; I15-F27 HydrophobicContact CG2-CE2 4.43Å; I15-F27 HydrophobicContact CG2-CG 4.25Å
16M93.5Very high92.9Very high63 Ų6378.4 Ų78.431%0.3145%0.452SS..Hα-helixtrans-64.8-45178.6-70.5-60.7-64.600112.1D12 T14 F18 C19 Q20 F27D12-M16 WeakPolarHBondContact O-CG 3.17Å; D12-M16 PolarHBondContact O-N 2.84Å; T14-M16 VanDerWaalsContact C-N 3.33Å; T14-M16 PolarHBondContact O-N 2.8Å; M16-F18 VanDerWaalsContact C-N 3.3Å; M16-F18 PolarHBondContact O-N 3.01Å; M16-C19 PolarHBondContact O-N 3.45Å; M16-Q20 WeakPolarHBondContact O-CG 3.43Å; M16-Q20 PolarHBondContact O-N 2.99Å; M16-F27 HydrophobicContact SD-CB 4.02Å
17R94.9Very high93Very high180 Ų18073 Ų7368%0.67943%0.426SS*.Hα-helixtrans-61.5-38.7174.5-75173-170.2159.42.8112G13 T14 Q20 K21G13-R17 WeakPolarHBondContact O-CB 3.31Å; G13-R17 WeakPolarHBondContact O-CG 3.48Å; G13-R17 PolarHBondContact O-N 2.65Å; T14-R17 PolarHBondContact O-N 3.24Å; R17-Q20 PolarHBondContact O-N 3.29Å; R17-K21 VanDerWaalsContact O-CB 3.23Å; R17-K21 WeakPolarHBondContact O-CB 3.35Å; R17-K21 PolarHBondContact O-N 3.15Å
18F95.4Very high93Very high115 Ų11572.2 Ų72.250%0.50442%0.415SS..Hα-helixtrans-60.2-51.4174.1170.4-102.2000110.9T14 I15 M16 Q20 K21 I22 L30T14-F18 WeakPolarHBondContact O-CB 3.36Å; T14-F18 PolarHBondContact O-N 2.85Å; I15-F18 WeakPolarHBondContact O-CB 3.48Å; I15-F18 PolarHBondContact O-N 3.21Å; M16-F18 VanDerWaalsContact C-N 3.3Å; M16-F18 PolarHBondContact O-N 3.01Å; F18-Q20 VanDerWaalsContact C-N 3.31Å; F18-Q20 PolarHBondContact O-N 3.35Å; F18-K21 WeakPolarHBondContact O-CB 3.17Å; F18-K21 PolarHBondContact O-N 3Å; F18-K21 VanDerWaalsContact O-N 3.1Å; F18-I22 HydrophobicContact CD1-CD1 4.33Å; F18-I22 HydrophobicContact CD2-CG2 4.36Å; F18-I22 HydrophobicContact CE1-CD1 3.7Å; F18-I22 HydrophobicContact CE2-CG2 3.92Å; F18-I22 HydrophobicContact CZ-CD1 3.85Å; F18-I22 HydrophobicContact CZ-CG2 4.18Å; F18-I22 WeakPolarHBondContact O-CG1 3.34Å; F18-I22 PolarHBondContact O-N 3.49Å; F18-I22 VanDerWaalsContact O-N 3.1Å; F18-L30 HydrophobicContact CE1-CD2 4.22Å
19C94.9Very high92.9Very high0 Ų072.8 Ų72.80%041%0.41CS..Hα-helixtrans-56-45.5178.5-62.70000111.7I15 M16 I22 G23 F24I15-C19 PolarHBondContact O-N 2.86Å; I15-C19 PolarHBondContact O-SG 3.43Å; M16-C19 PolarHBondContact O-N 3.45Å; C19-I22 VanDerWaalsContact O-CG1 3.26Å; C19-I22 WeakPolarHBondContact O-CG1 3.48Å; C19-I22 PolarHBondContact O-N 3.28Å; C19-G23 PolarHBondContact O-N 3.5Å; C19-F24 CarbonylContact C-O 3.54Å; C19-F24 HydrophobicContact CB-CB 4.43Å; C19-F24 PolarHBondContact O-N 3.24Å
20Q95.6Very high92.9Very high115 Ų11567.7 Ų67.754%0.53738%0.378SS..Hα-helixtrans-64.8-40.4176.7-70.4172.8-8.500112.6M16 R17 F18 I22 G23 F24M16-Q20 WeakPolarHBondContact O-CG 3.43Å; M16-Q20 PolarHBondContact O-N 2.99Å; R17-Q20 PolarHBondContact O-N 3.29Å; F18-Q20 VanDerWaalsContact C-N 3.31Å; F18-Q20 PolarHBondContact O-N 3.35Å; Q20-I22 VanDerWaalsContact C-N 3.26Å; Q20-I22 PolarHBondContact O-N 3.04Å; Q20-G23 PolarHBondContact O-N 3.11Å; Q20-G23 VanDerWaalsContact O-N 3.13Å; Q20-F24 VanDerWaalsContact CA-O 3.22Å; Q20-F24 WeakPolarHBondContact CA-O 3.46Å; Q20-F24 PolarHBondContact N-O 2.94Å
21K96.2Very high92.6Very high184 Ų18468.3 Ų68.380%0.838%0.377SS*.Hα-helixtrans-62.1-33.8178.7-176.366.8176.5-177.20112.4R17 F18R17-K21 VanDerWaalsContact O-CB 3.23Å; R17-K21 WeakPolarHBondContact O-CB 3.35Å; R17-K21 PolarHBondContact O-N 3.15Å; F18-K21 WeakPolarHBondContact O-CB 3.17Å; F18-K21 PolarHBondContact O-N 3Å; F18-K21 VanDerWaalsContact O-N 3.1Å
22I95.8Very high92.4Very high79 Ų7970.6 Ų70.641%0.40538%0.379SS..THydrogen-bonded Turntrans-93.18178.367.4170.6000113.4F18 C19 Q20 F24 L30F18-I22 HydrophobicContact CD1-CD1 4.33Å; F18-I22 HydrophobicContact CD2-CG2 4.36Å; F18-I22 HydrophobicContact CE1-CD1 3.7Å; F18-I22 HydrophobicContact CE2-CG2 3.92Å; F18-I22 HydrophobicContact CZ-CD1 3.85Å; F18-I22 HydrophobicContact CZ-CG2 4.18Å; F18-I22 WeakPolarHBondContact O-CG1 3.34Å; F18-I22 PolarHBondContact O-N 3.49Å; F18-I22 VanDerWaalsContact O-N 3.1Å; C19-I22 VanDerWaalsContact O-CG1 3.26Å; C19-I22 WeakPolarHBondContact O-CG1 3.48Å; C19-I22 PolarHBondContact O-N 3.28Å; Q20-I22 VanDerWaalsContact C-N 3.26Å; Q20-I22 PolarHBondContact O-N 3.04Å; I22-F24 HydrophobicContact CD1-CD2 3.73Å; I22-F24 HydrophobicContact CD1-CE2 3.87Å; I22-F24 HydrophobicContact CG1-CD2 3.71Å; I22-F24 HydrophobicContact CG1-CE2 4.12Å; I22-L30 HydrophobicContact CD1-CD1 3.95Å; I22-L30 HydrophobicContact CD1-CD2 4.31Å
23G95.1Very high92.4Very high67 Ų6769.3 Ų69.369%0.69138%0.376SS*.THydrogen-bonded Turntrans96.88.9170.900000116.7C19 Q20C19-G23 PolarHBondContact O-N 3.5Å; Q20-G23 PolarHBondContact O-N 3.11Å; Q20-G23 VanDerWaalsContact O-N 3.13Å
24F94.7Very high92.1Very high65 Ų6571.3 Ų71.329%0.28538%0.376SS..  trans-100145174.3-62.3-72000111.7C19 Q20 I22 G26 D29 L30 A33C19-F24 CarbonylContact C-O 3.54Å; C19-F24 HydrophobicContact CB-CB 4.43Å; C19-F24 PolarHBondContact O-N 3.24Å; Q20-F24 VanDerWaalsContact CA-O 3.22Å; Q20-F24 WeakPolarHBondContact CA-O 3.46Å; Q20-F24 PolarHBondContact N-O 2.94Å; I22-F24 HydrophobicContact CD1-CD2 3.73Å; I22-F24 HydrophobicContact CD1-CE2 3.87Å; I22-F24 HydrophobicContact CG1-CD2 3.71Å; I22-F24 HydrophobicContact CG1-CE2 4.12Å; F24-G26 PolarHBondContact O-N 2.87Å; F24-G26 VanDerWaalsContact O-N 3.16Å; F24-D29 HydrophobicContact CB-CB 4.12Å; F24-D29 HydrophobicContact CD1-CB 4.25Å; F24-L30 HydrophobicContact CB-CB 4.34Å; F24-L30 HydrophobicContact CD2-CB 3.99Å; F24-L30 HydrophobicContact CD2-CD1 3.61Å; F24-L30 HydrophobicContact CD2-CG 4.35Å; F24-L30 HydrophobicContact CE2-CD1 3.45Å; F24-L30 VanDerWaalsContact CE2-CD1 3.45Å; F24-L30 HydrophobicContact CG-CB 4.12Å; F24-L30 HydrophobicContact CG-CD1 4.47Å; F24-L30 HydrophobicContact CZ-CD1 4.19Å; F24-A33 HydrophobicContact CD1-CB 4.24Å; F24-A33 HydrophobicContact CE1-CB 3.31Å; F24-A33 HydrophobicContact CZ-CB 3.58Å
25S90.1Very high91.5Very high84 Ų8468.4 Ų68.459%0.58736%0.359SS*.SBendtrans-65.8-22.2-178.383.10000113.1D29S25-D29 VanDerWaalsContact CB-OD2 3.22Å; S25-D29 WeakPolarHBondContact CB-OD2 3.49Å; S25-D29 VanDerWaalsContact OG-CG 3.26Å; S25-D29 PolarHBondContact OG-OD2 2.86Å
26G90.7Very high91.1Very high7 Ų774.3 Ų74.37%0.07238%0.384CS..SBendtrans179.4-170.3176.800000112.8F24 S28 D29 L30F24-G26 PolarHBondContact O-N 2.87Å; F24-G26 VanDerWaalsContact O-N 3.16Å; G26-S28 VanDerWaalsContact C-N 3.35Å; G26-S28 PolarHBondContact O-N 2.8Å; G26-D29 PolarHBondContact O-N 2.87Å; G26-L30 PolarHBondContact O-N 3.41Å
27F88.6Confident90.7Very high24 Ų2476.5 Ų76.511%0.10539%0.394CS..Hα-helixtrans-65.8-32.9-175.4-177.7-110.2000113.9M1 I4 I15 M16 K31M1-F27 HydrophobicContact CE-CB 4.44Å; M1-F27 HydrophobicContact CE-CD1 4.25Å; M1-F27 HydrophobicContact CG-CD1 3.34Å; M1-F27 HydrophobicContact CG-CE1 3.55Å; M1-F27 HydrophobicContact CG-CG 3.94Å; M1-F27 HydrophobicContact CG-CZ 4.32Å; M1-F27 HydrophobicContact SD-CB 3.87Å; M1-F27 HydrophobicContact SD-CD1 3.67Å; M1-F27 HydrophobicContact SD-CE1 4.46Å; M1-F27 HydrophobicContact SD-CG 3.78Å; I4-F27 HydrophobicContact CD1-CE1 4.16Å; I4-F27 HydrophobicContact CD1-CE2 3.45Å; I4-F27 VanDerWaalsContact CD1-CE2 3.45Å; I4-F27 HydrophobicContact CD1-CZ 3.13Å; I15-F27 HydrophobicContact CG2-CB 4.42Å; I15-F27 HydrophobicContact CG2-CD2 3.74Å; I15-F27 HydrophobicContact CG2-CE2 4.43Å; I15-F27 HydrophobicContact CG2-CG 4.25Å; M16-F27 HydrophobicContact SD-CB 4.02Å; F27-K31 HydrophobicContact CD1-CD 4.26Å; F27-K31 HydrophobicContact CD1-CG 4.49Å; F27-K31 HydrophobicContact CE1-CD 3.5Å; F27-K31 VanDerWaalsContact CE1-CD 3.5Å; F27-K31 HydrophobicContact CE1-CG 3.92Å; F27-K31 HydrophobicContact CE2-CG 4.18Å; F27-K31 HydrophobicContact CZ-CD 3.66Å; F27-K31 HydrophobicContact CZ-CG 3.69Å; F27-K31 WeakPolarHBondContact O-CG 3.35Å; F27-K31 PolarHBondContact O-N 2.69Å; F27-K31 VanDerWaalsContact O-N 3.11Å
28S87.3Confident90Very high74 Ų7471.9 Ų71.952%0.51738%0.382SS..Hα-helixtrans-64.6-43.9176.6-64.70000112.1G26 K31 I32G26-S28 VanDerWaalsContact C-N 3.35Å; G26-S28 PolarHBondContact O-N 2.8Å; S28-K31 PolarHBondContact O-N 2.85Å; S28-I32 WeakPolarHBondContact O-CG1 3.46Å; S28-I32 PolarHBondContact O-N 3.34Å
29D89.4Confident89Confident67 Ų6770.1 Ų70.136%0.35838%0.375SS..Hα-helixtrans-64.9-41.1178.7-72.78.2000111.9F24 S25 G26 K31 I32 A33F24-D29 HydrophobicContact CB-CB 4.12Å; F24-D29 HydrophobicContact CD1-CB 4.25Å; S25-D29 VanDerWaalsContact CB-OD2 3.22Å; S25-D29 WeakPolarHBondContact CB-OD2 3.49Å; S25-D29 VanDerWaalsContact OG-CG 3.26Å; S25-D29 PolarHBondContact OG-OD2 2.86Å; G26-D29 PolarHBondContact O-N 2.87Å; D29-K31 VanDerWaalsContact C-N 3.34Å; D29-K31 PolarHBondContact O-N 3.37Å; D29-I32 PolarHBondContact O-N 2.82Å; D29-A33 PolarHBondContact O-N 3.28Å
30L91.4Very high88.2Confident22 Ų2272.3 Ų72.312%0.11539%0.39CS..Hα-helixtrans-58.9-45.8173.9174.660.9000111.2F18 I22 F24 G26 I32 A33 I34F18-L30 HydrophobicContact CE1-CD2 4.22Å; I22-L30 HydrophobicContact CD1-CD1 3.95Å; I22-L30 HydrophobicContact CD1-CD2 4.31Å; F24-L30 HydrophobicContact CB-CB 4.34Å; F24-L30 HydrophobicContact CD2-CB 3.99Å; F24-L30 HydrophobicContact CD2-CD1 3.61Å; F24-L30 HydrophobicContact CD2-CG 4.35Å; F24-L30 HydrophobicContact CE2-CD1 3.45Å; F24-L30 VanDerWaalsContact CE2-CD1 3.45Å; F24-L30 HydrophobicContact CG-CB 4.12Å; F24-L30 HydrophobicContact CG-CD1 4.47Å; F24-L30 HydrophobicContact CZ-CD1 4.19Å; G26-L30 PolarHBondContact O-N 3.41Å; L30-I32 VanDerWaalsContact C-N 3.32Å; L30-I32 PolarHBondContact O-N 3.43Å; L30-A33 PolarHBondContact O-N 2.96Å; L30-I34 HydrophobicContact CD1-CD1 3.84Å; L30-I34 HydrophobicContact CD1-CG1 4.1Å; L30-I34 HydrophobicContact CG-CD1 3.91Å; L30-I34 WeakPolarHBondContact O-CG1 3.31Å; L30-I34 PolarHBondContact O-N 3.37Å
31K87.1Confident87.3Confident62 Ų6271.8 Ų71.827%0.2739%0.386SS..Hα-helixtrans-61-40.6176.6-74.8-169.6-65.8161.10112.4F27 S28 D29 A33 A35 F188F27-K31 HydrophobicContact CD1-CD 4.26Å; F27-K31 HydrophobicContact CD1-CG 4.49Å; F27-K31 HydrophobicContact CE1-CD 3.5Å; F27-K31 VanDerWaalsContact CE1-CD 3.5Å; F27-K31 HydrophobicContact CE1-CG 3.92Å; F27-K31 HydrophobicContact CE2-CG 4.18Å; F27-K31 HydrophobicContact CZ-CD 3.66Å; F27-K31 HydrophobicContact CZ-CG 3.69Å; F27-K31 WeakPolarHBondContact O-CG 3.35Å; F27-K31 PolarHBondContact O-N 2.69Å; F27-K31 VanDerWaalsContact O-N 3.11Å; S28-K31 PolarHBondContact O-N 2.85Å; D29-K31 VanDerWaalsContact C-N 3.34Å; D29-K31 PolarHBondContact O-N 3.37Å; K31-A33 VanDerWaalsContact C-N 3.34Å; K31-A35 WeakPolarHBondContact O-CB 3.34Å; K31-A35 PolarHBondContact O-N 2.86Å; K31-F188 HydrophobicContact CB-CD1 4.29Å; K31-F188 HydrophobicContact CB-CE1 3.81Å; K31-F188 HydrophobicContact CB-CZ 4.36Å; K31-F188 HydrophobicContact CD-CE1 4.27Å; K31-F188 HydrophobicContact CD-CE2 4.35Å; K31-F188 HydrophobicContact CD-CZ 4.04Å
32I87.8Confident86.1Confident90 Ų9067.6 Ų67.646%0.46237%0.37SS..Hα-helixtrans-63.8-43177.3-68164.9000110.1S28 D29 L30 A35 K36S28-I32 WeakPolarHBondContact O-CG1 3.46Å; S28-I32 PolarHBondContact O-N 3.34Å; D29-I32 PolarHBondContact O-N 2.82Å; L30-I32 VanDerWaalsContact C-N 3.32Å; L30-I32 PolarHBondContact O-N 3.43Å; I32-A35 PolarHBondContact O-N 3.02Å; I32-K36 VanDerWaalsContact O-CB 3.29Å; I32-K36 WeakPolarHBondContact O-CB 3.47Å; I32-K36 PolarHBondContact O-N 3.07Å
33A89.2Confident84.8Confident32 Ų3269.4 Ų69.426%0.26438%0.376SS..Hα-helixtrans-63.3-47.5178.800000112.5F24 D29 L30 K31 K36 E37F24-A33 HydrophobicContact CD1-CB 4.24Å; F24-A33 HydrophobicContact CE1-CB 3.31Å; F24-A33 HydrophobicContact CZ-CB 3.58Å; D29-A33 PolarHBondContact O-N 3.28Å; L30-A33 PolarHBondContact O-N 2.96Å; K31-A33 VanDerWaalsContact C-N 3.34Å; A33-K36 PolarHBondContact O-N 2.88Å; A33-E37 PolarHBondContact O-N 2.87Å
34I87.6Confident83.6Confident85 Ų8573.9 Ų73.944%0.43638%0.379SS..Hα-helixtrans-59.5-49.4175.2-66.8168.1000110.1L30 K36 E37 D38L30-I34 HydrophobicContact CD1-CD1 3.84Å; L30-I34 HydrophobicContact CD1-CG1 4.1Å; L30-I34 HydrophobicContact CG-CD1 3.91Å; L30-I34 WeakPolarHBondContact O-CG1 3.31Å; L30-I34 PolarHBondContact O-N 3.37Å; I34-K36 VanDerWaalsContact C-N 3.26Å; I34-K36 PolarHBondContact O-N 2.93Å; I34-E37 WeakPolarHBondContact O-CB 3.49Å; I34-E37 PolarHBondContact O-N 3.29Å; I34-E37 VanDerWaalsContact O-N 3.1Å; I34-D38 PolarHBondContact O-N 3.28Å
35A83.3Confident82.3Confident10 Ų1076.9 Ų76.98%0.08340%0.398CS..Hα-helixtrans-66.1-30.2-177.200000112.3K31 I32 F39 F188 L189K31-A35 WeakPolarHBondContact O-CB 3.34Å; K31-A35 PolarHBondContact O-N 2.86Å; I32-A35 PolarHBondContact O-N 3.02Å; A35-F39 VanDerWaalsContact O-CB 3.29Å; A35-F39 WeakPolarHBondContact O-CB 3.38Å; A35-F39 PolarHBondContact O-N 3.01Å; A35-F188 HydrophobicContact CB-CB 4.48Å; A35-F188 HydrophobicContact CB-CD1 4.07Å; A35-L189 HydrophobicContact CB-CB 3.91Å; A35-L189 HydrophobicContact CB-CD1 3.52Å; A35-L189 HydrophobicContact CB-CG 4.31Å
36K85.3Confident80.9Confident136 Ų13675.3 Ų75.359%0.59139%0.387SS*.Hα-helixtrans-67.7-43.6172.1-177.1-179.4176.9-176.30111.1I32 A33 I34 F39 S40I32-K36 VanDerWaalsContact O-CB 3.29Å; I32-K36 WeakPolarHBondContact O-CB 3.47Å; I32-K36 PolarHBondContact O-N 3.07Å; A33-K36 PolarHBondContact O-N 2.88Å; I34-K36 VanDerWaalsContact C-N 3.26Å; I34-K36 PolarHBondContact O-N 2.93Å; K36-F39 PolarHBondContact O-N 3.33Å; K36-S40 WeakPolarHBondContact O-CB 3.49Å; K36-S40 PolarHBondContact O-N 3.25Å; K36-S40 PolarHBondContact O-OG 3.37Å
37E85.3Confident79.8Confident109 Ų10982.1 Ų82.151%0.50942%0.417SS..Hα-helixtrans-62-45.8176.6-171.3-177160.100111.5A33 I34 F39 S40 K41A33-E37 PolarHBondContact O-N 2.87Å; I34-E37 WeakPolarHBondContact O-CB 3.49Å; I34-E37 PolarHBondContact O-N 3.29Å; I34-E37 VanDerWaalsContact O-N 3.1Å; E37-F39 VanDerWaalsContact C-N 3.34Å; E37-F39 PolarHBondContact O-N 3.34Å; E37-S40 PolarHBondContact O-N 2.94Å; E37-K41 HydrophobicContact CG-CD 4.48Å; E37-K41 WeakPolarHBondContact O-CG 3.22Å; E37-K41 PolarHBondContact O-N 3.26Å; E37-K41 VanDerWaalsContact OE1-CE 3.29Å; E37-K41 WeakPolarHBondContact OE1-CE 3.49Å; E37-K41 IonicContact OE1-NZ 2.86Å; E37-K41 PolarHBondContact OE1-NZ 2.89Å
38D79Confident78.7Confident82 Ų8289.9 Ų89.944%0.43945%0.454SS..Hα-helixtrans-60.6-43.5176.3-71.6-23.2000111.7I34 Q42I34-D38 PolarHBondContact O-N 3.28Å; D38-Q42 WeakPolarHBondContact O-CG 3.36Å; D38-Q42 PolarHBondContact O-N 3.44Å; D38-Q42 VanDerWaalsContact O-N 3.15Å
39F75Confident77.9Confident78 Ų7891 Ų9134%0.34246%0.462SS..Hα-helixtrans-66.1-41.3178-171.9-95.3000112.3A35 K36 E37 Q42 Q43 L189A35-F39 VanDerWaalsContact O-CB 3.29Å; A35-F39 WeakPolarHBondContact O-CB 3.38Å; A35-F39 PolarHBondContact O-N 3.01Å; K36-F39 PolarHBondContact O-N 3.33Å; E37-F39 VanDerWaalsContact C-N 3.34Å; E37-F39 PolarHBondContact O-N 3.34Å; F39-Q42 PolarHBondContact O-N 3.41Å; F39-Q43 HydrophobicContact CE1-CG 4.29Å; F39-Q43 VanDerWaalsContact CE1-NE2 3.28Å; F39-Q43 PolarHBondContact O-N 3.18Å; F39-L189 HydrophobicContact CB-CD2 3.84Å; F39-L189 HydrophobicContact CD1-CD2 4.4Å; F39-L189 HydrophobicContact CD2-CD2 4.42Å; F39-L189 HydrophobicContact CG-CD2 3.98Å
40S78.3Confident77.6Confident47 Ų4790.3 Ų90.333%0.32946%0.458SS..Hα-helixtrans-64.5-43.8176.8-71.10000112.3K36 E37 Q42 Q43 E44K36-S40 WeakPolarHBondContact O-CB 3.49Å; K36-S40 PolarHBondContact O-N 3.25Å; K36-S40 PolarHBondContact O-OG 3.37Å; E37-S40 PolarHBondContact O-N 2.94Å; S40-Q42 VanDerWaalsContact C-N 3.26Å; S40-Q42 PolarHBondContact O-N 3.29Å; S40-Q43 PolarHBondContact O-N 3.44Å; S40-E44 PolarHBondContact O-N 2.96Å
41K75.2Confident77.2Confident104 Ų10494.5 Ų94.545%0.45248%0.475SS..Hα-helixtrans-58-40.4174.2-73.7173.5-176.1164.40111.8E37 Q43 E44 D45E37-K41 HydrophobicContact CG-CD 4.48Å; E37-K41 WeakPolarHBondContact O-CG 3.22Å; E37-K41 PolarHBondContact O-N 3.26Å; E37-K41 VanDerWaalsContact OE1-CE 3.29Å; E37-K41 WeakPolarHBondContact OE1-CE 3.49Å; E37-K41 IonicContact OE1-NZ 2.86Å; E37-K41 PolarHBondContact OE1-NZ 2.89Å; K41-Q43 VanDerWaalsContact C-N 3.26Å; K41-Q43 PolarHBondContact O-N 3.31Å; K41-E44 PolarHBondContact O-N 3.07Å; K41-D45 PolarHBondContact O-N 2.92Å
42Q71Confident77.3Confident96 Ų9699 Ų9945%0.44950%0.495SS..Hα-helixtrans-66.3-24175.3-70.5177.813.900113.6D38 F39 S40 K54D38-Q42 WeakPolarHBondContact O-CG 3.36Å; D38-Q42 PolarHBondContact O-N 3.44Å; D38-Q42 VanDerWaalsContact O-N 3.15Å; F39-Q42 PolarHBondContact O-N 3.41Å; S40-Q42 VanDerWaalsContact C-N 3.26Å; S40-Q42 PolarHBondContact O-N 3.29Å; Q42-K54 VanDerWaalsContact O-CE 3.31Å; Q42-K54 WeakPolarHBondContact O-CE 3.3Å; Q42-K54 PolarHBondContact O-NZ 3.25Å
43Q70.1Confident77.4Confident116 Ų11699.3 Ų99.354%0.54250%0.498SS..Hα-helixtrans-83.6-36.6174.1-74.1-169.2-16.500112.9F39 S40 K41 D45 S46F39-Q43 HydrophobicContact CE1-CG 4.29Å; F39-Q43 VanDerWaalsContact CE1-NE2 3.28Å; F39-Q43 PolarHBondContact O-N 3.18Å; S40-Q43 PolarHBondContact O-N 3.44Å; K41-Q43 VanDerWaalsContact C-N 3.26Å; K41-Q43 PolarHBondContact O-N 3.31Å; Q43-D45 VanDerWaalsContact C-N 3.3Å; Q43-D45 PolarHBondContact O-N 3.5Å; Q43-S46 PolarHBondContact O-N 3.01Å; Q43-S46 PolarHBondContact O-OG 3.46Å
44E69.8Low77.2Confident162 Ų162100.1 Ų100.176%0.75750%0.495SS*.Hα-helixtrans-65.2-32.9-178.9-71.9177.9-175.700112.9S40 K41 S46S40-E44 PolarHBondContact O-N 2.96Å; K41-E44 PolarHBondContact O-N 3.07Å; E44-S46 PolarHBondContact O-N 3.42Å
45D66Low77.1Confident127 Ų127100.4 Ų100.468%0.67949%0.491SS*.THydrogen-bonded Turntrans-70.5-7.9177.6-77.2-21.3000114.3K41 Q43K41-D45 PolarHBondContact O-N 2.92Å; Q43-D45 VanDerWaalsContact C-N 3.3Å; Q43-D45 PolarHBondContact O-N 3.5Å
46S60.7Low77.4Confident51 Ų51103.5 Ų103.536%0.35751%0.509SS..  trans-90.4112.6-176.560.30000112.9Q43 E44Q43-S46 PolarHBondContact O-N 3.01Å; Q43-S46 PolarHBondContact O-OG 3.46Å; E44-S46 PolarHBondContact O-N 3.42Å
47Q68.6Low77.7Confident150 Ų150102.8 Ų102.870%0.70151%0.506SS*.  trans-75148.6149.7-65.6-169.1-7.500108.8S49 D50Q47-S49 PolarHBondContact O-N 2.92Å; Q47-D50 PolarHBondContact O-N 2.9Å
48E64.8Low77.8Confident187 Ų18799.3 Ų99.387%0.87449%0.492SS*.G310 helixtrans-52.7-32.8179.5-77.1-177.2161.700112.9D50 F51E48-D50 VanDerWaalsContact C-N 3.28Å; E48-D50 PolarHBondContact O-N 2.99Å; E48-F51 PolarHBondContact O-N 2.81Å
49S70.5Confident78.4Confident99 Ų9997.3 Ų97.369%0.69248%0.481SS*.G310 helixtrans-66.4-20.7178.853.70000114.8Q47Q47-S49 PolarHBondContact O-N 2.92Å
50D83.8Confident79.2Confident51 Ų5196.9 Ų96.927%0.27348%0.482SS..G310 helixtrans-103.13-179.2-172.537.2000112.6Q47 E48 F52 D53 K54 K57Q47-D50 PolarHBondContact O-N 2.9Å; E48-D50 VanDerWaalsContact C-N 3.28Å; E48-D50 PolarHBondContact O-N 2.99Å; D50-F52 PolarHBondContact O-N 3.47Å; D50-D53 PolarHBondContact O-N 2.96Å; D50-D53 WeakPolarHBondContact OD1-CB 3.24Å; D50-K54 WeakPolarHBondContact O-CB 3.27Å; D50-K54 PolarHBondContact O-N 3.46Å; D50-K57 IonicContact OD1-NZ 3.63Å
51F83.6Confident79.9Confident110 Ų110100 Ų10048%0.48249%0.49SS..Hα-helixtrans-60.7-49.9-175.1177.2-99.1000113E48 R55E48-F51 PolarHBondContact O-N 2.81Å; F51-R55 HydrophobicContact CE1-CG 4.23Å; F51-R55 HydrophobicContact CE2-CG 4.22Å; F51-R55 HydrophobicContact CZ-CG 4.01Å; F51-R55 WeakPolarHBondContact O-CG 3.48Å; F51-R55 PolarHBondContact O-N 3.45Å; F51-R55 VanDerWaalsContact O-N 3.08Å
52F88.4Confident80.6Confident158 Ų15895.3 Ų95.369%0.69347%0.471SS*.Hα-helixtrans-66-43.4-179.6-65.6-66.7000112D50 K54 R55 T56D50-F52 PolarHBondContact O-N 3.47Å; F52-K54 PolarHBondContact O-N 3.29Å; F52-R55 PolarHBondContact O-N 2.84Å; F52-T56 WeakPolarHBondContact O-CB 3.42Å; F52-T56 PolarHBondContact O-N 2.9Å; F52-T56 PolarHBondContact O-OG1 3.33Å
53D89Confident81.7Confident95 Ų9593.3 Ų93.351%0.50846%0.463SS..Hα-helixtrans-63.4-42.7179.2-78.4-7000111.2D50 T56 K57D50-D53 PolarHBondContact O-N 2.96Å; D50-D53 WeakPolarHBondContact OD1-CB 3.24Å; D53-T56 PolarHBondContact O-N 3.25Å; D53-K57 WeakPolarHBondContact O-CB 3.17Å; D53-K57 VanDerWaalsContact O-CG 3.22Å; D53-K57 WeakPolarHBondContact O-CG 3.36Å; D53-K57 PolarHBondContact O-N 3.14Å
54K84.9Confident82.9Confident50 Ų5094.1 Ų94.122%0.21747%0.465CS..Hα-helixtrans-62.3-46.4175.5-170.2171.4-165157.70112.3Q42 D50 F52 T56 K57 T58Q42-K54 VanDerWaalsContact O-CE 3.31Å; Q42-K54 WeakPolarHBondContact O-CE 3.3Å; Q42-K54 PolarHBondContact O-NZ 3.25Å; D50-K54 WeakPolarHBondContact O-CB 3.27Å; D50-K54 PolarHBondContact O-N 3.46Å; F52-K54 PolarHBondContact O-N 3.29Å; K54-T56 VanDerWaalsContact C-N 3.32Å; K54-T56 PolarHBondContact O-N 3.36Å; K54-K57 PolarHBondContact O-N 3.29Å; K54-T58 PolarHBondContact O-N 2.87Å; K54-T58 PolarHBondContact O-OG1 3.25Å
55R86.2Confident84.1Confident91 Ų9187.7 Ų87.734%0.34344%0.436SS..Hα-helixtrans-61.5-40.8176.5-71.2-63.8-66.3-178.1-5.4111.8F51 F52 T58 I59F51-R55 HydrophobicContact CE1-CG 4.23Å; F51-R55 HydrophobicContact CE2-CG 4.22Å; F51-R55 HydrophobicContact CZ-CG 4.01Å; F51-R55 WeakPolarHBondContact O-CG 3.48Å; F51-R55 PolarHBondContact O-N 3.45Å; F51-R55 VanDerWaalsContact O-N 3.08Å; F52-R55 PolarHBondContact O-N 2.84Å; R55-T58 PolarHBondContact O-N 2.87Å; R55-I59 WeakPolarHBondContact O-CG1 3.33Å; R55-I59 PolarHBondContact O-N 3.43Å; R55-I59 VanDerWaalsContact O-N 3.14Å
56T90.5Very high85.4Confident75 Ų7581.6 Ų81.646%0.4640%0.404SS..Hα-helixtrans-64-47176.5-55.70000111F52 D53 K54 T58 I59 D60F52-T56 WeakPolarHBondContact O-CB 3.42Å; F52-T56 PolarHBondContact O-N 2.9Å; F52-T56 PolarHBondContact O-OG1 3.33Å; D53-T56 PolarHBondContact O-N 3.25Å; K54-T56 VanDerWaalsContact C-N 3.32Å; K54-T56 PolarHBondContact O-N 3.36Å; T56-T58 VanDerWaalsContact C-N 3.3Å; T56-T58 PolarHBondContact O-N 2.93Å; T56-I59 PolarHBondContact O-N 3.39Å; T56-I59 VanDerWaalsContact O-N 3.15Å; T56-D60 WeakPolarHBondContact O-CB 3.31Å; T56-D60 PolarHBondContact O-N 2.86Å
57K90.2Very high87.1Confident121 Ų12183.1 Ų83.153%0.52641%0.408SS..Hα-helixtrans-56.9-40.2175.3-73.4165-171.9159.80112.4D50 D53 K54 K61D50-K57 IonicContact OD1-NZ 3.63Å; D53-K57 WeakPolarHBondContact O-CB 3.17Å; D53-K57 VanDerWaalsContact O-CG 3.22Å; D53-K57 WeakPolarHBondContact O-CG 3.36Å; D53-K57 PolarHBondContact O-N 3.14Å; K54-K57 PolarHBondContact O-N 3.29Å; K57-K61 VanDerWaalsContact O-CB 3.28Å; K57-K61 WeakPolarHBondContact O-CB 3.39Å; K57-K61 PolarHBondContact O-N 2.71Å
58T88Confident88.4Confident36 Ų3682.9 Ų82.922%0.22141%0.407CS..Hα-helixtrans-63.1-46176.1-63.40000111.8K54 R55 T56 K61 A62 E187 A195K54-T58 PolarHBondContact O-N 2.87Å; K54-T58 PolarHBondContact O-OG1 3.25Å; R55-T58 PolarHBondContact O-N 2.87Å; T56-T58 VanDerWaalsContact C-N 3.3Å; T56-T58 PolarHBondContact O-N 2.93Å; T58-K61 PolarHBondContact O-N 2.78Å; T58-A62 PolarHBondContact O-N 3.01Å; T58-E187 WeakPolarHBondContact CG2-OE1 3.48Å; T58-A195 HydrophobicContact CG2-CB 4.12Å
59I91.2Very high89.8Confident39 Ų3980 Ų8020%0.239%0.388CS..Hα-helixtrans-64.3-46.5178.2-67.2170.6000110.6R55 T56 K61 A62 L63 L194 I198R55-I59 WeakPolarHBondContact O-CG1 3.33Å; R55-I59 PolarHBondContact O-N 3.43Å; R55-I59 VanDerWaalsContact O-N 3.14Å; T56-I59 PolarHBondContact O-N 3.39Å; T56-I59 VanDerWaalsContact O-N 3.15Å; I59-K61 VanDerWaalsContact C-N 3.3Å; I59-K61 PolarHBondContact O-N 2.88Å; I59-A62 WeakPolarHBondContact O-CB 3.36Å; I59-A62 PolarHBondContact O-N 3.3Å; I59-L63 HydrophobicContact CG2-CD1 4.36Å; I59-L63 PolarHBondContact O-N 3.2Å; I59-L194 HydrophobicContact CD1-CD2 3.98Å; I59-I198 HydrophobicContact CB-CD1 4.37Å; I59-I198 HydrophobicContact CD1-CD1 3.9Å; I59-I198 HydrophobicContact CG1-CD1 3.95Å; I59-I198 HydrophobicContact CG2-CD1 3.54Å; I59-I198 HydrophobicContact CG2-CG2 4.2Å
60D93.1Very high90.9Very high69 Ų6977.6 Ų77.637%0.36937%0.367SS..Hα-helixtrans-59.3-42.1177.1-82.4-6.2000112T56 L63 K64T56-D60 WeakPolarHBondContact O-CB 3.31Å; T56-D60 PolarHBondContact O-N 2.86Å; D60-L63 PolarHBondContact O-N 3.49Å; D60-K64 WeakPolarHBondContact O-CB 3.27Å; D60-K64 VanDerWaalsContact O-CG 3.28Å; D60-K64 WeakPolarHBondContact O-CG 3.37Å; D60-K64 PolarHBondContact O-N 3.39Å
61K91.6Very high91.4Very high113 Ų11378.1 Ų78.149%0.49137%0.369SS..Hα-helixtrans-61.3-48.2175.8-175.8-177.6172.2-1660110.3K57 T58 I59 L63 K64 T65 D186K57-K61 VanDerWaalsContact O-CB 3.28Å; K57-K61 WeakPolarHBondContact O-CB 3.39Å; K57-K61 PolarHBondContact O-N 2.71Å; T58-K61 PolarHBondContact O-N 2.78Å; I59-K61 VanDerWaalsContact C-N 3.3Å; I59-K61 PolarHBondContact O-N 2.88Å; K61-L63 VanDerWaalsContact C-N 3.33Å; K61-L63 PolarHBondContact O-N 3.34Å; K61-K64 PolarHBondContact O-N 3.36Å; K61-T65 WeakPolarHBondContact O-CB 3.45Å; K61-T65 PolarHBondContact O-N 3.28Å; K61-T65 PolarHBondContact O-OG1 3.31Å; K61-D186 VanDerWaalsContact CE-OD2 3.29Å; K61-D186 WeakPolarHBondContact CE-OD2 3.4Å; K61-D186 IonicContact NZ-OD2 2.68Å; K61-D186 PolarHBondContact NZ-OD2 3.25Å
62A91.5Very high92Very high6 Ų677.1 Ų77.15%0.0537%0.369CS..Hα-helixtrans-58.5-43178.900000112.4T58 I59 T66 I185 A195T58-A62 PolarHBondContact O-N 3.01Å; I59-A62 WeakPolarHBondContact O-CB 3.36Å; I59-A62 PolarHBondContact O-N 3.3Å; A62-T66 WeakPolarHBondContact O-CB 3.4Å; A62-T66 PolarHBondContact O-N 3.01Å; A62-T66 PolarHBondContact O-OG1 3.45Å; A62-I185 HydrophobicContact CB-CG2 4.14Å; A62-A195 HydrophobicContact CB-CB 3.94Å
63L93.8Very high92.5Very high54 Ų5474.8 Ų74.828%0.28336%0.364SS..Hα-helixtrans-63.8-50.6175.4-73174.5000111.8I59 D60 K61 T65 T66 N67 I198 Y202I59-L63 HydrophobicContact CG2-CD1 4.36Å; I59-L63 PolarHBondContact O-N 3.2Å; D60-L63 PolarHBondContact O-N 3.49Å; K61-L63 VanDerWaalsContact C-N 3.33Å; K61-L63 PolarHBondContact O-N 3.34Å; L63-T65 PolarHBondContact O-N 3.24Å; L63-T66 PolarHBondContact O-N 3.37Å; L63-N67 WeakPolarHBondContact O-CB 3.3Å; L63-N67 PolarHBondContact O-N 3.45Å; L63-I198 HydrophobicContact CD1-CG2 4.29Å; L63-I198 HydrophobicContact CD2-CG2 3.55Å; L63-I198 HydrophobicContact CG-CG2 3.85Å; L63-Y202 HydrophobicContact CD2-CD1 4.16Å; L63-Y202 HydrophobicContact CD2-CD2 4.15Å; L63-Y202 HydrophobicContact CD2-CG 3.74Å
64K95.2Very high92.9Very high133 Ų13372.9 Ų72.958%0.57835%0.351SS*.Hα-helixtrans-62-45.6-179-74.5172.1-177.8169.30111.9D60 K61 N67 Q68D60-K64 WeakPolarHBondContact O-CB 3.27Å; D60-K64 VanDerWaalsContact O-CG 3.28Å; D60-K64 WeakPolarHBondContact O-CG 3.37Å; D60-K64 PolarHBondContact O-N 3.39Å; K61-K64 PolarHBondContact O-N 3.36Å; K64-N67 PolarHBondContact O-N 3.04Å; K64-Q68 VanDerWaalsContact O-CG 3.27Å; K64-Q68 WeakPolarHBondContact O-CG 3.44Å; K64-Q68 PolarHBondContact O-N 3.25Å
65T93.5Very high93.6Very high26 Ų2670.8 Ų70.816%0.1634%0.342CS..Hα-helixtrans-68.5-38.3179.3-51.30000110.9K61 L63 Q68 R69 A184K61-T65 WeakPolarHBondContact O-CB 3.45Å; K61-T65 PolarHBondContact O-N 3.28Å; K61-T65 PolarHBondContact O-OG1 3.31Å; L63-T65 PolarHBondContact O-N 3.24Å; T65-Q68 WeakPolarHBondContact O-CB 3.49Å; T65-Q68 PolarHBondContact O-N 2.92Å; T65-R69 WeakPolarHBondContact O-CG 3.3Å; T65-R69 PolarHBondContact O-N 3.36Å; T65-A184 HydrophobicContact CG2-CB 3.5Å; T65-A184 VanDerWaalsContact CG2-CB 3.5Å
66T95.2Very high94.1Very high0 Ų071 Ų710%035%0.346CS..Hα-helixtrans-62.9-46.2174.7-61.90000111A62 L63 Q68 R69 L70 A184 S199 Y202 L203A62-T66 WeakPolarHBondContact O-CB 3.4Å; A62-T66 PolarHBondContact O-N 3.01Å; A62-T66 PolarHBondContact O-OG1 3.45Å; L63-T66 PolarHBondContact O-N 3.37Å; T66-Q68 VanDerWaalsContact C-N 3.28Å; T66-Q68 PolarHBondContact O-N 3.2Å; T66-R69 PolarHBondContact O-N 2.93Å; T66-L70 PolarHBondContact O-N 3.48Å; T66-A184 PolarHBondContact OG1-N 2.88Å; T66-A184 VanDerWaalsContact OG1-N 3.07Å; T66-S199 WeakPolarHBondContact OG1-CB 3.38Å; T66-Y202 HydrophobicContact CG2-CD1 3.99Å; T66-L203 HydrophobicContact CG2-CD1 4.33Å; T66-L203 HydrophobicContact CG2-CD2 3.97Å; T66-L203 HydrophobicContact CG2-CG 4.01Å
67N96.3Very high94.5Very high82 Ų8272.2 Ų72.244%0.43935%0.346SS..Hα-helixtrans-58.3-38.6175.6-175.553.6000112.5L63 K64 R69 L70 Y202L63-N67 WeakPolarHBondContact O-CB 3.3Å; L63-N67 PolarHBondContact O-N 3.45Å; K64-N67 PolarHBondContact O-N 3.04Å; N67-R69 PolarHBondContact O-N 3.32Å; N67-L70 WeakPolarHBondContact O-CB 3.45Å; N67-L70 PolarHBondContact O-N 3.42Å; N67-Y202 HydrophobicContact CB-CE1 3.99Å; N67-Y202 PolarHBondContact OD1-OH 2.86Å
68Q95.8Very high94.9Very high145 Ų14566.4 Ų66.468%0.67832%0.321SS*.Hα-helixtrans-66.1-21.2176.1-73.5169-6.400114K64 T65 T66K64-Q68 VanDerWaalsContact O-CG 3.27Å; K64-Q68 WeakPolarHBondContact O-CG 3.44Å; K64-Q68 PolarHBondContact O-N 3.25Å; T65-Q68 WeakPolarHBondContact O-CB 3.49Å; T65-Q68 PolarHBondContact O-N 2.92Å; T66-Q68 VanDerWaalsContact C-N 3.28Å; T66-Q68 PolarHBondContact O-N 3.2Å
69R93.1Very high95.5Very high128 Ų12864.7 Ų64.748%0.48331%0.311SS..Hα-helixtrans-96.9-3.4177.1-60.2-54.3179.285.31.5113.2T65 T66 N67 D71 Q182 A184T65-R69 WeakPolarHBondContact O-CG 3.3Å; T65-R69 PolarHBondContact O-N 3.36Å; T66-R69 PolarHBondContact O-N 2.93Å; N67-R69 PolarHBondContact O-N 3.32Å; R69-D71 PolarHBondContact O-N 3.01Å; R69-Q182 HydrophobicContact CB-CB 4.3Å; R69-Q182 HydrophobicContact CB-CG 4.1Å; R69-A184 HydrophobicContact CG-CB 3.83Å
70L93.6Very high95.8Very high47 Ų4767.9 Ų67.925%0.24633%0.325CS..  trans-68.6131.9178.8-172.670.1000110.3T66 N67 L203 L206T66-L70 PolarHBondContact O-N 3.48Å; N67-L70 WeakPolarHBondContact O-CB 3.45Å; N67-L70 PolarHBondContact O-N 3.42Å; L70-L203 HydrophobicContact CD1-CD2 3.77Å; L70-L206 HydrophobicContact CD1-CD1 4.2Å; L70-L206 HydrophobicContact CD2-CD1 3.56Å
71D95.2Very high96.1Very high62 Ų6265.5 Ų65.533%0.33231%0.311SS..  trans-111.5113.5172.5-178.7-22.2000108.3R69 N73 K74 L75R69-D71 PolarHBondContact O-N 3.01Å; D71-N73 PolarHBondContact O-N 3Å; D71-N73 WeakPolarHBondContact OD1-CB 3.37Å; D71-N73 PolarHBondContact OD1-N 2.89Å; D71-K74 HydrophobicContact CB-CB 4.03Å; D71-K74 HydrophobicContact CB-CD 3.95Å; D71-K74 HydrophobicContact CB-CG 3.92Å; D71-K74 PolarHBondContact O-N 2.95Å; D71-K74 PolarHBondContact OD1-N 3.26Å; D71-K74 WeakPolarHBondContact OD2-CE 3.12Å; D71-L75 PolarHBondContact O-N 2.9Å
72N96Very high96.4Very high90 Ų9060.4 Ų60.448%0.48129%0.289SS..Hα-helixtrans-60.8-34.4-177.7-169.553.7000112.2L75 K76N72-L75 PolarHBondContact O-N 3.36Å; N72-K76 VanDerWaalsContact O-CG 3.31Å; N72-K76 WeakPolarHBondContact O-CG 3.46Å; N72-K76 PolarHBondContact O-N 3.01Å
73N98Very high96.8Very high109 Ų10963.1 Ų63.158%0.58331%0.305SS*.Hα-helixtrans-68.7-39.9178.7-67.1-32.2000111D71 L75 K76 Q77D71-N73 PolarHBondContact O-N 3Å; D71-N73 WeakPolarHBondContact OD1-CB 3.37Å; D71-N73 PolarHBondContact OD1-N 2.89Å; N73-L75 VanDerWaalsContact C-N 3.34Å; N73-K76 PolarHBondContact O-N 2.96Å; N73-Q77 VanDerWaalsContact O-CG 3.27Å; N73-Q77 WeakPolarHBondContact O-CG 3.48Å; N73-Q77 PolarHBondContact O-N 3.39Å
74K98.4Very high97Very high55 Ų5565.3 Ų65.324%0.23931%0.314CS..Hα-helixtrans-65-39.1174-66.8-174.3-170.4177.70111.7D71 Q77 A78 V179 V180 L181D71-K74 HydrophobicContact CB-CB 4.03Å; D71-K74 HydrophobicContact CB-CD 3.95Å; D71-K74 HydrophobicContact CB-CG 3.92Å; D71-K74 PolarHBondContact O-N 2.95Å; D71-K74 PolarHBondContact OD1-N 3.26Å; D71-K74 WeakPolarHBondContact OD2-CE 3.12Å; K74-Q77 PolarHBondContact O-N 3.06Å; K74-A78 WeakPolarHBondContact O-CB 3.47Å; K74-A78 PolarHBondContact O-N 3.42Å; K74-V179 HydrophobicContact CB-CG1 3.95Å; K74-V179 WeakPolarHBondContact O-CG1 3.5Å; K74-V180 VanDerWaalsContact CD-O 3.29Å; K74-V180 WeakPolarHBondContact CD-O 3.5Å; K74-L181 HydrophobicContact CB-CD2 4.18Å
75L98.6Very high97.1Very high6 Ų660.1 Ų60.13%0.03130%0.296CS..Hα-helixtrans-59.8-46.6175.1-175.661.4000111.2D71 N72 N73 A78 V79 L206 L207 S210D71-L75 PolarHBondContact O-N 2.9Å; N72-L75 PolarHBondContact O-N 3.36Å; N73-L75 VanDerWaalsContact C-N 3.34Å; L75-A78 WeakPolarHBondContact O-CB 3.33Å; L75-A78 PolarHBondContact O-N 3.18Å; L75-V79 WeakPolarHBondContact O-CG2 3.37Å; L75-V79 PolarHBondContact O-N 2.9Å; L75-L206 HydrophobicContact CD2-CB 4.37Å; L75-L207 HydrophobicContact CD1-CD2 3.76Å; L75-L207 HydrophobicContact CD1-CG 3.97Å; L75-S210 WeakPolarHBondContact CD2-OG 3.23Å
76K98.3Very high97.4Very high96 Ų9663.8 Ų63.842%0.41732%0.315SS..Hα-helixtrans-61.9-43.4175.4-67-169.2171.7-175.60113.2N72 N73 A78 V79 Q80 E214N72-K76 VanDerWaalsContact O-CG 3.31Å; N72-K76 WeakPolarHBondContact O-CG 3.46Å; N72-K76 PolarHBondContact O-N 3.01Å; N73-K76 PolarHBondContact O-N 2.96Å; K76-A78 VanDerWaalsContact C-N 3.31Å; K76-A78 PolarHBondContact O-N 3.33Å; K76-V79 PolarHBondContact O-N 2.9Å; K76-Q80 WeakPolarHBondContact O-CB 3.38Å; K76-Q80 PolarHBondContact O-N 3.31Å; K76-E214 VanDerWaalsContact CG-OE1 3.29Å; K76-E214 WeakPolarHBondContact CG-OE1 3.26Å
77Q98.7Very high97.5Very high99 Ų9968.2 Ų68.246%0.46334%0.335SS..Hα-helixtrans-60.5-43175.5-72.8172-26.600111.3N73 K74 Q80 M81 V179N73-Q77 VanDerWaalsContact O-CG 3.27Å; N73-Q77 WeakPolarHBondContact O-CG 3.48Å; N73-Q77 PolarHBondContact O-N 3.39Å; K74-Q77 PolarHBondContact O-N 3.06Å; Q77-Q80 PolarHBondContact O-N 2.87Å; Q77-M81 WeakPolarHBondContact O-CG 3.43Å; Q77-M81 PolarHBondContact O-N 2.66Å; Q77-V179 HydrophobicContact CB-CG2 3.68Å
78A98.8Very high97.7Very high0 Ų064.9 Ų64.90%032%0.317CS..Hα-helixtrans-62.4-43.2175.600000112.1K74 L75 K76 M81 I82 I163 V179 L181 L207K74-A78 WeakPolarHBondContact O-CB 3.47Å; K74-A78 PolarHBondContact O-N 3.42Å; L75-A78 WeakPolarHBondContact O-CB 3.33Å; L75-A78 PolarHBondContact O-N 3.18Å; K76-A78 VanDerWaalsContact C-N 3.31Å; K76-A78 PolarHBondContact O-N 3.33Å; A78-M81 WeakPolarHBondContact O-CB 3.47Å; A78-M81 PolarHBondContact O-N 3.18Å; A78-I82 WeakPolarHBondContact O-CG1 3.34Å; A78-I82 PolarHBondContact O-N 2.84Å; A78-I163 HydrophobicContact CB-CD1 3.72Å; A78-I163 HydrophobicContact CB-CG1 4.17Å; A78-I163 HydrophobicContact CB-CG2 4.42Å; A78-V179 HydrophobicContact CB-CG1 4.04Å; A78-L181 HydrophobicContact CB-CD1 4.23Å; A78-L181 HydrophobicContact CB-CD2 4.48Å; A78-L207 HydrophobicContact CB-CD2 3.68Å
79V98.7Very high97.8Very high0 Ų059.9 Ų59.90%029%0.293CS..Hα-helixtrans-62.1-45.1175.5171.60000111.3L75 K76 M81 I82 T83 L207 Y211 E214L75-V79 WeakPolarHBondContact O-CG2 3.37Å; L75-V79 PolarHBondContact O-N 2.9Å; K76-V79 PolarHBondContact O-N 2.9Å; V79-M81 VanDerWaalsContact C-N 3.3Å; V79-M81 PolarHBondContact O-N 2.74Å; V79-I82 WeakPolarHBondContact O-CB 3.5Å; V79-I82 PolarHBondContact O-N 2.68Å; V79-I82 VanDerWaalsContact O-N 3.07Å; V79-T83 PolarHBondContact O-N 2.98Å; V79-T83 PolarHBondContact O-OG1 3.26Å; V79-L207 HydrophobicContact CG2-CD2 4.36Å; V79-Y211 HydrophobicContact CG1-CD2 4.16Å; V79-E214 HydrophobicContact CG1-CB 4.14Å; V79-E214 HydrophobicContact CG1-CG 4.48Å; V79-E214 WeakPolarHBondContact CG1-OE2 3.38Å
80Q98.7Very high98.1Very high106 Ų10653.8 Ų53.850%0.49527%0.27SS..Hα-helixtrans-58.7-42.3175.5-176.8178.8-0.100111.8K76 Q77 I82 T83 E84K76-Q80 WeakPolarHBondContact O-CB 3.38Å; K76-Q80 PolarHBondContact O-N 3.31Å; Q77-Q80 PolarHBondContact O-N 2.87Å; Q80-I82 VanDerWaalsContact C-N 3.31Å; Q80-I82 PolarHBondContact O-N 3.29Å; Q80-T83 PolarHBondContact O-N 3.31Å; Q80-E84 HydrophobicContact CG-CG 4.4Å; Q80-E84 VanDerWaalsContact CG-OE1 3.31Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.45Å; Q80-E84 PolarHBondContact NE2-OE1 3.14Å; Q80-E84 WeakPolarHBondContact O-CB 3.26Å; Q80-E84 WeakPolarHBondContact O-CG 3.35Å; Q80-E84 PolarHBondContact O-N 3.07Å
81M98.8Very high98.3Very high18 Ų1851.6 Ų51.69%0.08926%0.258CS..Hα-helixtrans-61.9-38.7175.3-67.9164.875.500112Q77 A78 V79 A85 L135 K161 I163 D178 V179Q77-M81 WeakPolarHBondContact O-CG 3.43Å; Q77-M81 PolarHBondContact O-N 2.66Å; A78-M81 WeakPolarHBondContact O-CB 3.47Å; A78-M81 PolarHBondContact O-N 3.18Å; V79-M81 VanDerWaalsContact C-N 3.3Å; V79-M81 PolarHBondContact O-N 2.74Å; M81-A85 WeakPolarHBondContact O-CB 3.42Å; M81-A85 PolarHBondContact O-N 3.47Å; M81-L135 HydrophobicContact CB-CD1 4.21Å; M81-L135 HydrophobicContact CB-CD2 4.38Å; M81-L135 HydrophobicContact CE-CD1 3.88Å; M81-K161 HydrophobicContact CE-CB 3.65Å; M81-K161 HydrophobicContact CE-CD 4.46Å; M81-K161 HydrophobicContact CE-CG 4.35Å; M81-K161 HydrophobicContact CG-CD 4.29Å; M81-I163 HydrophobicContact CB-CD1 4.26Å; M81-I163 HydrophobicContact CE-CG1 3.8Å; M81-I163 HydrophobicContact SD-CD1 4.39Å; M81-I163 HydrophobicContact SD-CG1 3.92Å; M81-D178 HydrophobicContact CE-CB 3.9Å; M81-V179 HydrophobicContact SD-CB 4.12Å; M81-V179 HydrophobicContact SD-CG2 3.49Å; M81-V179 WeakPolarHBondContact SD-CG2 3.36Å
82I98.8Very high98.5Very high6 Ų648.6 Ų48.63%0.03124%0.242CC..Hα-helixtrans-65.5-45.6175-68.9167.2000110.6A78 V79 Q80 E84 A85 I88 V112 L135 I137 I163 L207 Y211A78-I82 WeakPolarHBondContact O-CG1 3.34Å; A78-I82 PolarHBondContact O-N 2.84Å; V79-I82 WeakPolarHBondContact O-CB 3.5Å; V79-I82 PolarHBondContact O-N 2.68Å; V79-I82 VanDerWaalsContact O-N 3.07Å; Q80-I82 VanDerWaalsContact C-N 3.31Å; Q80-I82 PolarHBondContact O-N 3.29Å; I82-E84 VanDerWaalsContact C-N 3.33Å; I82-E84 PolarHBondContact O-N 2.78Å; I82-A85 PolarHBondContact O-N 2.88Å; I82-I88 HydrophobicContact CG2-CD1 3.9Å; I82-V112 HydrophobicContact CG2-CG1 4.19Å; I82-V112 HydrophobicContact CG2-CG2 4.45Å; I82-L135 HydrophobicContact CB-CD2 4.3Å; I82-L135 HydrophobicContact CG1-CD2 3.62Å; I82-I137 HydrophobicContact CD1-CD1 4.26Å; I82-I137 HydrophobicContact CG1-CD1 4.39Å; I82-I163 HydrophobicContact CG1-CD1 4.3Å; I82-L207 HydrophobicContact CD1-CD2 4.1Å; I82-Y211 HydrophobicContact CB-CD2 4.28Å; I82-Y211 HydrophobicContact CG2-CD2 3.62Å; I82-Y211 HydrophobicContact CG2-CE2 3.72Å
83T98.4Very high98.5Very high63 Ų6345.8 Ų45.839%0.38723%0.228SC..Hα-helixtrans-60.9-38.7178.7-66.60000112.8V79 Q80 Y211 N215V79-T83 PolarHBondContact O-N 2.98Å; V79-T83 PolarHBondContact O-OG1 3.26Å; Q80-T83 PolarHBondContact O-N 3.31Å; T83-Y211 WeakPolarHBondContact OG1-CE2 3.48Å; T83-N215 WeakPolarHBondContact CG2-OD1 3.39Å; T83-N215 PolarHBondContact OG1-ND2 3.42Å; T83-N215 PolarHBondContact OG1-OD1 3.19Å
84E98.3Very high98.3Very high101 Ų10142.9 Ų42.947%0.47222%0.224SC..Hα-helixtrans-87.9-10.9-175.8-68173.7-177.800114.1Q80 I82 K161Q80-E84 HydrophobicContact CG-CG 4.4Å; Q80-E84 VanDerWaalsContact CG-OE1 3.31Å; Q80-E84 WeakPolarHBondContact CG-OE1 3.45Å; Q80-E84 PolarHBondContact NE2-OE1 3.14Å; Q80-E84 WeakPolarHBondContact O-CB 3.26Å; Q80-E84 WeakPolarHBondContact O-CG 3.35Å; Q80-E84 PolarHBondContact O-N 3.07Å; I82-E84 VanDerWaalsContact C-N 3.33Å; I82-E84 PolarHBondContact O-N 2.78Å; E84-K161 IonicContact OE2-NZ 2.84Å; E84-K161 PolarHBondContact OE2-NZ 3.16Å
85A98.7Very high98Very high23 Ų2342.6 Ų42.619%0.1923%0.229CC..  trans-72.1136-172.700000112.3M81 I82 I88 L135M81-A85 WeakPolarHBondContact O-CB 3.42Å; M81-A85 PolarHBondContact O-N 3.47Å; I82-A85 PolarHBondContact O-N 2.88Å; A85-I88 HydrophobicContact CB-CD1 4.18Å; A85-I88 HydrophobicContact CB-CG1 3.63Å; A85-L135 HydrophobicContact CB-CB 3.58Å; A85-L135 HydrophobicContact CB-CD2 4.25Å
86N98.5Very high97.9Very high103 Ų10343 Ų4355%0.55123%0.232SC*.SBendtrans-76.6-44.6172.2173.463.8000112K133 D134N86-K133 HydrophobicContact CB-CB 3.97Å; N86-K133 WeakPolarHBondContact CB-O 3.31Å; N86-K133 PolarHBondContact N-O 2.9Å; N86-D134 PolarHBondContact ND2-OD1 3.3Å
87Q98.7Very high97.8Very high94 Ų9438.4 Ų38.444%0.43921%0.212SC..SBendtrans-130.5143.1171.6-62.4-65.2-54.300109.6Y89 D134 L135Q87-Y89 HydrophobicContact CB-CD2 4.35Å; Q87-Y89 HydrophobicContact CB-CE2 3.8Å; Q87-D134 HydrophobicContact CB-CB 4.36Å; Q87-D134 WeakPolarHBondContact CB-OD1 3.47Å; Q87-D134 PolarHBondContact N-OD1 3.19Å; Q87-L135 PolarHBondContact O-N 3.5Å
88I98.9Very high97.7Very high11 Ų1137.5 Ų37.56%0.05621%0.211CC..EExtended strand (participates in β ladder)trans-121.9119178.8-56174.2000108.9I82 A85 V112 S114 R115 L135 I137I82-I88 HydrophobicContact CG2-CD1 3.9Å; A85-I88 HydrophobicContact CB-CD1 4.18Å; A85-I88 HydrophobicContact CB-CG1 3.63Å; I88-V112 HydrophobicContact CD1-CG1 3.57Å; I88-S114 CarbonylContact O-C 3.56Å; I88-S114 VanDerWaalsContact O-CA 3.3Å; I88-S114 WeakPolarHBondContact O-CA 3.29Å; I88-R115 PolarHBondContact O-N 3.46Å; I88-L135 WeakPolarHBondContact CA-O 3.44Å; I88-L135 HydrophobicContact CG1-CB 4.37Å; I88-L135 HydrophobicContact CG1-CD2 4.3Å; I88-L135 HydrophobicContact CG2-CD2 4.3Å; I88-I137 HydrophobicContact CG2-CD1 4.27Å
89Y98.9Very high97.7Very high41 Ų4137.5 Ų37.516%0.16121%0.211CC..EExtended strand (participates in β ladder)trans-115143173.2-67.4-84.2000111Q87 F91 R115 V117 I126 L130 L135 V136 I137Q87-Y89 HydrophobicContact CB-CD2 4.35Å; Q87-Y89 HydrophobicContact CB-CE2 3.8Å; Y89-F91 HydrophobicContact CG-CE1 4.39Å; Y89-R115 WeakPolarHBondContact CA-O 3.37Å; Y89-R115 HydrophobicContact CD1-CB 3.94Å; Y89-R115 HydrophobicContact CD1-CG 4.4Å; Y89-R115 HydrophobicContact CE1-CB 4.08Å; Y89-R115 HydrophobicContact CE1-CG 4.43Å; Y89-V117 HydrophobicContact CD1-CG2 4.04Å; Y89-I126 HydrophobicContact CD1-CD1 4.12Å; Y89-I126 HydrophobicContact CD1-CG2 3.62Å; Y89-I126 HydrophobicContact CD2-CG2 3.75Å; Y89-I126 HydrophobicContact CE1-CD1 3.91Å; Y89-I126 HydrophobicContact CE1-CG1 4.36Å; Y89-I126 HydrophobicContact CE1-CG2 3.6Å; Y89-I126 HydrophobicContact CE2-CG2 3.76Å; Y89-I126 HydrophobicContact CG-CG2 3.67Å; Y89-L130 HydrophobicContact CD2-CD2 3.65Å; Y89-L130 HydrophobicContact CE2-CD2 3.65Å; Y89-L135 PolarHBondContact N-O 3.2Å; Y89-V136 CarbonylContact O-C 3.37Å; Y89-V136 VanDerWaalsContact O-CA 3.3Å; Y89-V136 WeakPolarHBondContact O-CA 3.26Å; Y89-I137 PolarHBondContact O-N 3.2Å
90I98.9Very high97.7Very high0 Ų037.5 Ų37.50%021%0.211CC..EExtended strand (participates in β ladder)trans-116115.1179.8-56161.7000108.1L103 E104 L107 R115 S116 V117 I137 F139I90-L103 HydrophobicContact CD1-CB 4.18Å; I90-L103 HydrophobicContact CD1-CD2 3.94Å; I90-L103 HydrophobicContact CD1-CG 3.91Å; I90-L103 HydrophobicContact CG1-CD2 4.32Å; I90-E104 HydrophobicContact CD1-CB 4.06Å; I90-L107 HydrophobicContact CD1-CD1 4.25Å; I90-R115 PolarHBondContact N-O 3.33Å; I90-S116 WeakPolarHBondContact O-CA 3.29Å; I90-V117 PolarHBondContact O-N 2.87Å; I90-I137 CarbonylContact C-O 3.32Å; I90-I137 WeakPolarHBondContact CA-O 3.36Å; I90-I137 HydrophobicContact CG1-CB 4.33Å; I90-F139 HydrophobicContact CG2-CD2 3.77Å; I90-F139 HydrophobicContact CG2-CE2 3.56Å
91F98.9Very high97.7Very high0 Ų035.6 Ų35.60%020%0.204CC..EExtended strand (participates in β ladder)trans-106.4129.5-177.3-66.6-6.6000110.4Y89 V117 Q123 I126 A127 V136 I137 G138 F139 T148 L152Y89-F91 HydrophobicContact CG-CE1 4.39Å; F91-V117 HydrophobicContact CD1-CB 4.03Å; F91-V117 HydrophobicContact CD1-CG2 4.3Å; F91-V117 HydrophobicContact CE1-CB 4.16Å; F91-V117 HydrophobicContact CE1-CG2 4.08Å; F91-Q123 HydrophobicContact CB-CG 4.18Å; F91-Q123 HydrophobicContact CD1-CB 4.21Å; F91-Q123 HydrophobicContact CD1-CG 3.76Å; F91-Q123 HydrophobicContact CD2-CB 4.24Å; F91-Q123 HydrophobicContact CD2-CG 4.38Å; F91-Q123 HydrophobicContact CE1-CB 4.29Å; F91-Q123 HydrophobicContact CE1-CG 4.23Å; F91-Q123 HydrophobicContact CE2-CB 4.35Å; F91-Q123 HydrophobicContact CG-CB 4.2Å; F91-Q123 HydrophobicContact CG-CG 3.85Å; F91-Q123 HydrophobicContact CZ-CB 4.38Å; F91-Q123 WeakPolarHBondContact CZ-O 3.49Å; F91-I126 HydrophobicContact CE1-CG2 4.25Å; F91-I126 HydrophobicContact CZ-CB 4.37Å; F91-I126 HydrophobicContact CZ-CG2 4.06Å; F91-A127 HydrophobicContact CE2-CB 3.97Å; F91-A127 HydrophobicContact CZ-CB 4.25Å; F91-V136 HydrophobicContact CB-CG1 4.16Å; F91-V136 HydrophobicContact CD1-CG1 4.21Å; F91-V136 HydrophobicContact CD2-CG1 3.36Å; F91-V136 HydrophobicContact CE1-CG1 4.47Å; F91-V136 HydrophobicContact CE2-CG1 3.64Å; F91-V136 HydrophobicContact CE2-CG2 4.11Å; F91-V136 HydrophobicContact CG-CG1 3.65Å; F91-V136 HydrophobicContact CZ-CG1 4.2Å; F91-V136 HydrophobicContact CZ-CG2 4.32Å; F91-I137 PolarHBondContact N-O 2.93Å; F91-G138 CarbonylContact O-C 3.54Å; F91-G138 WeakPolarHBondContact O-CA 3.39Å; F91-F139 PolarHBondContact O-N 3.46Å; F91-T148 HydrophobicContact CB-CG2 4.49Å; F91-L152 HydrophobicContact CD2-CD2 4.18Å
92G98.2Very high97.6Very high0 Ų037.3 Ų37.30%021%0.213CC..  trans-176.2151.5176.400000108.9G97 I118 Q123G92-G97 VanDerWaalsContact O-CA 3.24Å; G92-G97 WeakPolarHBondContact O-CA 3.45Å; G92-I118 WeakPolarHBondContact O-CA 3.26Å; G92-Q123 PolarHBondContact O-NE2 3.49Å
93V96.7Very high97.6Very high30 Ų3037.1 Ų37.118%0.18221%0.212CC..  trans-121.3156.5179.7-550000110.3S95 S96 G97 P120 T145 D147V93-S95 PolarHBondContact O-N 3.36Å; V93-S96 PolarHBondContact O-N 3.37Å; V93-G97 PolarHBondContact O-N 2.77Å; V93-G97 VanDerWaalsContact O-N 3.15Å; V93-P120 HydrophobicContact CG1-CG 3.92Å; V93-T145 HydrophobicContact CG2-CG2 3.36Å; V93-D147 HydrophobicContact CG1-CB 4.01Å
94G93.4Very high97.6Very high48 Ų4836.7 Ų36.750%0.49521%0.206SC..Hα-helixtrans55.1-135.7-178.400000112.3S96 G97 N98G94-S96 VanDerWaalsContact C-N 3.27Å; G94-S96 PolarHBondContact O-N 3.29Å; G94-G97 WeakPolarHBondContact O-CA 3.25Å; G94-G97 PolarHBondContact O-N 3.12Å; G94-N98 PolarHBondContact O-N 3.36Å
95S92.9Very high97.6Very high49 Ų4934.7 Ų34.734%0.34321%0.206SC..Hα-helixtrans-59.5-34.6-179.2-550000113.6V93 N98 T99 A192V93-S95 PolarHBondContact O-N 3.36Å; S95-N98 WeakPolarHBondContact O-CB 3.5Å; S95-N98 PolarHBondContact O-N 3.25Å; S95-T99 PolarHBondContact O-N 3.33Å; S95-T99 VanDerWaalsContact O-N 3.14Å; S95-T99 PolarHBondContact O-OG1 2.85Å; S95-A192 WeakPolarHBondContact OG-CB 3.39Å
96S95.4Very high97.5Very high15 Ų1535 Ų3511%0.10520%0.204CC..Hα-helixtrans-69.8-33.4174.4-75.60000112.3V93 G94 T99 G100 Q200V93-S96 PolarHBondContact O-N 3.37Å; G94-S96 VanDerWaalsContact C-N 3.27Å; G94-S96 PolarHBondContact O-N 3.29Å; S96-T99 PolarHBondContact O-N 2.96Å; S96-G100 PolarHBondContact O-N 3.45Å; S96-Q200 PolarHBondContact OG-NE2 2.97Å; S96-Q200 VanDerWaalsContact OG-NE2 3.11Å
97G97.1Very high97.4Very high0 Ų030.1 Ų30.10%018%0.178CC..Hα-helixtrans-65.2-39.5170.900000112.6G92 V93 G94 T99 G100 N101G92-G97 VanDerWaalsContact O-CA 3.24Å; G92-G97 WeakPolarHBondContact O-CA 3.45Å; V93-G97 PolarHBondContact O-N 2.77Å; V93-G97 VanDerWaalsContact O-N 3.15Å; G94-G97 WeakPolarHBondContact O-CA 3.25Å; G94-G97 PolarHBondContact O-N 3.12Å; G97-T99 VanDerWaalsContact C-N 3.33Å; G97-T99 PolarHBondContact O-N 3.33Å; G97-G100 VanDerWaalsContact O-CA 3.31Å; G97-G100 WeakPolarHBondContact O-CA 3.34Å; G97-G100 PolarHBondContact O-N 3.04Å; G97-N101 PolarHBondContact O-N 3.39Å
98N96.7Very high97.2Very high80 Ų8030 Ų3043%0.42818%0.18SC..Hα-helixtrans-61-42.1173.7-67.3-18.5000111.8G94 S95 G100 N101 D102G94-N98 PolarHBondContact O-N 3.36Å; S95-N98 WeakPolarHBondContact O-CB 3.5Å; S95-N98 PolarHBondContact O-N 3.25Å; N98-G100 PolarHBondContact O-N 3.18Å; N98-N101 WeakPolarHBondContact O-CB 3.07Å; N98-N101 PolarHBondContact O-N 2.84Å; N98-N101 VanDerWaalsContact O-N 3.14Å; N98-D102 PolarHBondContact O-N 3.43Å
99T97.5Very high96.8Very high0 Ų034.4 Ų34.40%020%0.196CC..Hα-helixtrans-62.3-31.7172-52.30000112S95 S96 G97 D102 L103 F139 Q200 L201S95-T99 PolarHBondContact O-N 3.33Å; S95-T99 VanDerWaalsContact O-N 3.14Å; S95-T99 PolarHBondContact O-OG1 2.85Å; S96-T99 PolarHBondContact O-N 2.96Å; G97-T99 VanDerWaalsContact C-N 3.33Å; G97-T99 PolarHBondContact O-N 3.33Å; T99-D102 WeakPolarHBondContact O-CB 3.02Å; T99-D102 PolarHBondContact O-N 3.44Å; T99-L103 PolarHBondContact O-N 3.14Å; T99-F139 HydrophobicContact CG2-CD1 4.32Å; T99-F139 HydrophobicContact CG2-CE1 3.8Å; T99-F139 HydrophobicContact CG2-CZ 4.37Å; T99-Q200 HydrophobicContact CG2-CB 3.64Å; T99-Q200 PolarHBondContact OG1-OE1 2.93Å; T99-L201 HydrophobicContact CG2-CD2 3.86Å; T99-L201 HydrophobicContact CG2-CG 4.18Å
100G98.4Very high96.6Very high0 Ų032.6 Ų32.60%019%0.189CC..Hα-helixtrans-61.2-42.5171.300000113.1S96 G97 N98 D102 L103 E104S96-G100 PolarHBondContact O-N 3.45Å; G97-G100 VanDerWaalsContact O-CA 3.31Å; G97-G100 WeakPolarHBondContact O-CA 3.34Å; G97-G100 PolarHBondContact O-N 3.04Å; N98-G100 PolarHBondContact O-N 3.18Å; G100-D102 VanDerWaalsContact C-N 3.33Å; G100-L103 PolarHBondContact O-N 3.48Å; G100-E104 PolarHBondContact O-N 3.31Å
101N98.6Very high96.4Very high66 Ų6634.8 Ų34.835%0.35321%0.211SC..Hα-helixtrans-64.2-39.2172.5-65.3-7.1000111.7G97 N98 L103 E104 A105 S116 I118G97-N101 PolarHBondContact O-N 3.39Å; N98-N101 WeakPolarHBondContact O-CB 3.07Å; N98-N101 PolarHBondContact O-N 2.84Å; N98-N101 VanDerWaalsContact O-N 3.14Å; N101-L103 VanDerWaalsContact C-N 3.32Å; N101-L103 PolarHBondContact O-N 2.92Å; N101-E104 PolarHBondContact O-N 3.44Å; N101-A105 PolarHBondContact O-N 3.23Å; N101-S116 PolarHBondContact N-OG 3.49Å; N101-S116 WeakPolarHBondContact OD1-CB 3.37Å; N101-S116 PolarHBondContact OD1-OG 2.64Å; N101-I118 VanDerWaalsContact ND2-CD1 3.27Å; N101-I118 WeakPolarHBondContact ND2-CD1 3.18Å; N101-I118 WeakPolarHBondContact OD1-CD1 3.49Å
102D98.5Very high96.3Very high53 Ų5335.2 Ų35.228%0.28321%0.214SC..Hα-helixtrans-60.8-43.9175.7-64.9-45.7000110.1N98 T99 G100 A105 M106 K197 L201N98-D102 PolarHBondContact O-N 3.43Å; T99-D102 WeakPolarHBondContact O-CB 3.02Å; T99-D102 PolarHBondContact O-N 3.44Å; G100-D102 VanDerWaalsContact C-N 3.33Å; D102-A105 PolarHBondContact O-N 2.84Å; D102-M106 HydrophobicContact CB-CE 4.41Å; D102-M106 VanDerWaalsContact O-CG 3.24Å; D102-M106 WeakPolarHBondContact O-CG 3.45Å; D102-M106 PolarHBondContact O-N 3.43Å; D102-K197 WeakPolarHBondContact OD2-CE 3.39Å; D102-K197 IonicContact OD2-NZ 2.69Å; D102-K197 PolarHBondContact OD2-NZ 3.1Å; D102-L201 HydrophobicContact CB-CD2 3.52Å
103L98.8Very high96.2Very high2 Ų243.2 Ų43.21%0.0125%0.252CS..Hα-helixtrans-62.9-43.4175.3176.461.6000112.4I90 T99 G100 N101 A105 M106 L107 I137 F139 C204 V208I90-L103 HydrophobicContact CD1-CB 4.18Å; I90-L103 HydrophobicContact CD1-CD2 3.94Å; I90-L103 HydrophobicContact CD1-CG 3.91Å; I90-L103 HydrophobicContact CG1-CD2 4.32Å; T99-L103 PolarHBondContact O-N 3.14Å; G100-L103 PolarHBondContact O-N 3.48Å; N101-L103 VanDerWaalsContact C-N 3.32Å; N101-L103 PolarHBondContact O-N 2.92Å; L103-A105 VanDerWaalsContact C-N 3.29Å; L103-A105 PolarHBondContact O-N 2.88Å; L103-M106 PolarHBondContact O-N 3.29Å; L103-M106 VanDerWaalsContact O-N 3.12Å; L103-L107 HydrophobicContact CD1-CD1 4.12Å; L103-L107 HydrophobicContact CD1-CG 3.97Å; L103-L107 HydrophobicContact CG-CD1 3.96Å; L103-L107 HydrophobicContact CG-CG 4.29Å; L103-L107 WeakPolarHBondContact O-CB 3.45Å; L103-L107 WeakPolarHBondContact O-CG 3.4Å; L103-L107 PolarHBondContact O-N 3.43Å; L103-I137 HydrophobicContact CD2-CD1 3.96Å; L103-I137 HydrophobicContact CD2-CG2 4.16Å; L103-F139 HydrophobicContact CB-CZ 4.47Å; L103-F139 HydrophobicContact CD2-CE2 3.88Å; L103-F139 HydrophobicContact CD2-CZ 3.87Å; L103-C204 HydrophobicContact CB-CB 4.33Å; L103-C204 HydrophobicContact CD1-CB 3.83Å; L103-V208 HydrophobicContact CD1-CG2 3.99Å
104E98.6Very high96.3Very high55 Ų5542.7 Ų42.726%0.25725%0.249SC..Hα-helixtrans-54.5-47.8175178.2179.4173.300111I90 G100 N101 M106 L107 L108 S116I90-E104 HydrophobicContact CD1-CB 4.06Å; G100-E104 PolarHBondContact O-N 3.31Å; N101-E104 PolarHBondContact O-N 3.44Å; E104-M106 VanDerWaalsContact C-N 3.34Å; E104-M106 PolarHBondContact O-N 2.93Å; E104-L107 PolarHBondContact O-N 2.88Å; E104-L108 PolarHBondContact O-N 3.25Å; E104-S116 WeakPolarHBondContact OE2-CA 3.38Å; E104-S116 WeakPolarHBondContact OE2-CB 3.34Å; E104-S116 PolarHBondContact OE2-N 2.86Å
105A96.7Very high96.6Very high58 Ų5846.6 Ų46.648%0.47925%0.249SC..Hα-helixtrans-64.3-37.2177.200000112.6N101 D102 L103N101-A105 PolarHBondContact O-N 3.23Å; D102-A105 PolarHBondContact O-N 2.84Å; L103-A105 VanDerWaalsContact C-N 3.29Å; L103-A105 PolarHBondContact O-N 2.88Å
106M97Very high96.8Very high29 Ų2945 Ų4514%0.14324%0.238CC..Hα-helixtrans-68.5-38.9177.1-67.1179.7-165.800112.6D102 L103 E104 L108 R109 L201 C204 V208D102-M106 HydrophobicContact CB-CE 4.41Å; D102-M106 VanDerWaalsContact O-CG 3.24Å; D102-M106 WeakPolarHBondContact O-CG 3.45Å; D102-M106 PolarHBondContact O-N 3.43Å; L103-M106 PolarHBondContact O-N 3.29Å; L103-M106 VanDerWaalsContact O-N 3.12Å; E104-M106 VanDerWaalsContact C-N 3.34Å; E104-M106 PolarHBondContact O-N 2.93Å; M106-L108 VanDerWaalsContact C-N 3.32Å; M106-L108 PolarHBondContact O-N 2.82Å; M106-R109 VanDerWaalsContact O-CB 3.27Å; M106-R109 WeakPolarHBondContact O-CB 3.33Å; M106-R109 WeakPolarHBondContact O-CG 3.35Å; M106-R109 PolarHBondContact O-N 2.86Å; M106-R109 VanDerWaalsContact O-N 3.14Å; M106-R109 PolarHBondContact O-NE 2.91Å; M106-L201 HydrophobicContact CE-CD2 3.76Å; M106-C204 HydrophobicContact SD-CB 4.01Å; M106-V208 HydrophobicContact CB-CG2 3.84Å
107L97.6Very high97Very high1 Ų144.6 Ų44.61%0.00524%0.235CC..Hα-helixtrans-64.1-35.6178.3-78.4171.4000112.2I90 L103 E104 R109 V110 G111 V112 S114 V208I90-L107 HydrophobicContact CD1-CD1 4.25Å; L103-L107 HydrophobicContact CD1-CD1 4.12Å; L103-L107 HydrophobicContact CD1-CG 3.97Å; L103-L107 HydrophobicContact CG-CD1 3.96Å; L103-L107 HydrophobicContact CG-CG 4.29Å; L103-L107 WeakPolarHBondContact O-CB 3.45Å; L103-L107 WeakPolarHBondContact O-CG 3.4Å; L103-L107 PolarHBondContact O-N 3.43Å; E104-L107 PolarHBondContact O-N 2.88Å; L107-R109 PolarHBondContact O-N 3.5Å; L107-V110 HydrophobicContact CD2-CG2 4.48Å; L107-V110 CarbonylContact O-C 3.55Å; L107-V110 WeakPolarHBondContact O-CG2 3.3Å; L107-V110 PolarHBondContact O-N 3Å; L107-G111 PolarHBondContact O-N 2.93Å; L107-V112 CarbonylContact C-O 3.6Å; L107-V112 VanDerWaalsContact C-O 3.27Å; L107-V112 HydrophobicContact CB-CB 4Å; L107-V112 HydrophobicContact CB-CG1 4.22Å; L107-V112 HydrophobicContact CD1-CG1 4.36Å; L107-V112 HydrophobicContact CD2-CB 4Å; L107-V112 HydrophobicContact CD2-CG1 3.98Å; L107-V112 HydrophobicContact CD2-CG2 4.44Å; L107-V112 HydrophobicContact CG-CG1 4.42Å; L107-V112 PolarHBondContact O-N 3.28Å; L107-S114 WeakPolarHBondContact CD1-OG 3.44Å; L107-V208 HydrophobicContact CD2-CG2 4Å; L107-V208 HydrophobicContact CG-CG2 4.26Å
108L93.3Very high97.1Very high91 Ų9147.2 Ų47.248%0.47625%0.248SC..Hα-helixtrans-58.4-30.1173.7-72.7173.2000112.8E104 M106 V110 G111 V112 Q113E104-L108 PolarHBondContact O-N 3.25Å; M106-L108 VanDerWaalsContact C-N 3.32Å; M106-L108 PolarHBondContact O-N 2.82Å; L108-V110 PolarHBondContact O-N 3.05Å; L108-G111 PolarHBondContact O-N 3.29Å; L108-G111 VanDerWaalsContact O-N 3.14Å; L108-V112 PolarHBondContact N-O 3.46Å; L108-Q113 HydrophobicContact CD2-CG 4.47Å
109R91Very high97.1Very high104 Ų10447 Ų4739%0.39225%0.247SC..THydrogen-bonded Turntrans-65.7-22.2177.7-54.1-176.8-57.6-152.76.6113.1M106 L107 D205M106-R109 VanDerWaalsContact O-CB 3.27Å; M106-R109 WeakPolarHBondContact O-CB 3.33Å; M106-R109 WeakPolarHBondContact O-CG 3.35Å; M106-R109 PolarHBondContact O-N 2.86Å; M106-R109 VanDerWaalsContact O-N 3.14Å; M106-R109 PolarHBondContact O-NE 2.91Å; L107-R109 PolarHBondContact O-N 3.5Å; R109-D205 IonicContact NH2-OD1 3.37Å
110V94.8Very high97.2Very high4 Ų448.9 Ų48.92%0.02426%0.259CS..THydrogen-bonded Turntrans-110.516.6178.1-61.80000111.9L107 L108 V112 V208 Y211 E212 V217 T219L107-V110 HydrophobicContact CD2-CG2 4.48Å; L107-V110 CarbonylContact O-C 3.55Å; L107-V110 WeakPolarHBondContact O-CG2 3.3Å; L107-V110 PolarHBondContact O-N 3Å; L108-V110 PolarHBondContact O-N 3.05Å; V110-V112 VanDerWaalsContact C-N 3.26Å; V110-V112 HydrophobicContact CG2-CB 4.41Å; V110-V112 HydrophobicContact CG2-CG2 4.04Å; V110-V112 PolarHBondContact O-N 3Å; V110-V208 HydrophobicContact CG1-CG1 3.71Å; V110-V208 HydrophobicContact CG2-CG1 4.03Å; V110-Y211 HydrophobicContact CB-CD1 3.95Å; V110-Y211 HydrophobicContact CB-CE1 4.24Å; V110-Y211 HydrophobicContact CG2-CD1 3.67Å; V110-Y211 HydrophobicContact CG2-CE1 4.07Å; V110-E212 HydrophobicContact CG1-CB 3.93Å; V110-V217 HydrophobicContact CB-CG1 4.35Å; V110-T219 HydrophobicContact CG1-CG2 4.08Å
111G93.8Very high97.2Very high45 Ų4555.8 Ų55.846%0.46429%0.291SS..THydrogen-bonded Turntrans77.17.4175.200000114.6L107 L108L107-G111 PolarHBondContact O-N 2.93Å; L108-G111 PolarHBondContact O-N 3.29Å; L108-G111 VanDerWaalsContact O-N 3.14Å
112V96.9Very high97.2Very high10 Ų1057.9 Ų57.96%0.06130%0.297CS..  trans-88.6116.5179.8177.50000109.4I82 I88 L107 L108 V110 Y211I82-V112 HydrophobicContact CG2-CG1 4.19Å; I82-V112 HydrophobicContact CG2-CG2 4.45Å; I88-V112 HydrophobicContact CD1-CG1 3.57Å; L107-V112 CarbonylContact C-O 3.6Å; L107-V112 VanDerWaalsContact C-O 3.27Å; L107-V112 HydrophobicContact CB-CB 4Å; L107-V112 HydrophobicContact CB-CG1 4.22Å; L107-V112 HydrophobicContact CD1-CG1 4.36Å; L107-V112 HydrophobicContact CD2-CB 4Å; L107-V112 HydrophobicContact CD2-CG1 3.98Å; L107-V112 HydrophobicContact CD2-CG2 4.44Å; L107-V112 HydrophobicContact CG-CG1 4.42Å; L107-V112 PolarHBondContact O-N 3.28Å; L108-V112 PolarHBondContact N-O 3.46Å; V110-V112 VanDerWaalsContact C-N 3.26Å; V110-V112 HydrophobicContact CG2-CB 4.41Å; V110-V112 HydrophobicContact CG2-CG2 4.04Å; V110-V112 PolarHBondContact O-N 3Å; V112-Y211 HydrophobicContact CG2-CD1 3.98Å; V112-Y211 HydrophobicContact CG2-CD2 4.4Å; V112-Y211 HydrophobicContact CG2-CE1 3.32Å; V112-Y211 HydrophobicContact CG2-CE2 3.81Å; V112-Y211 HydrophobicContact CG2-CG 4.49Å; V112-Y211 WeakPolarHBondContact CG2-OH 3.29Å
113Q96.8Very high97.2Very high168 Ų16855.3 Ų55.379%0.78528%0.284SS*.  trans-83.3129.9171.9-64.4-176.80.300109.6L108L108-Q113 HydrophobicContact CD2-CG 4.47Å
114S98.6Very high97.2Very high19 Ų1956.7 Ų56.713%0.13330%0.295CS..  trans-144.9170175.662.90000109I88 L107I88-S114 CarbonylContact O-C 3.56Å; I88-S114 VanDerWaalsContact O-CA 3.3Å; I88-S114 WeakPolarHBondContact O-CA 3.29Å; L107-S114 WeakPolarHBondContact CD1-OG 3.44Å
115R98.7Very high97.2Very high129 Ų12959 Ų5949%0.48731%0.306SS..EExtended strand (participates in β ladder)trans-133.2118.2175.3-179.1174.8174.7-168.81111.2I88 Y89 I90 V117I88-R115 PolarHBondContact O-N 3.46Å; Y89-R115 WeakPolarHBondContact CA-O 3.37Å; Y89-R115 HydrophobicContact CD1-CB 3.94Å; Y89-R115 HydrophobicContact CD1-CG 4.4Å; Y89-R115 HydrophobicContact CE1-CB 4.08Å; Y89-R115 HydrophobicContact CE1-CG 4.43Å; I90-R115 PolarHBondContact N-O 3.33Å; R115-V117 HydrophobicContact CG-CG2 4.23Å
116S98.8Very high97.3Very high15 Ų1557.1 Ų57.111%0.10529%0.288CS..EExtended strand (participates in β ladder)trans-76.6136.7168.5-176.20000110.9I90 N101 E104I90-S116 WeakPolarHBondContact O-CA 3.29Å; N101-S116 PolarHBondContact N-OG 3.49Å; N101-S116 WeakPolarHBondContact OD1-CB 3.37Å; N101-S116 PolarHBondContact OD1-OG 2.64Å; E104-S116 WeakPolarHBondContact OE2-CA 3.38Å; E104-S116 WeakPolarHBondContact OE2-CB 3.34Å; E104-S116 PolarHBondContact OE2-N 2.86Å
117V98.8Very high97.4Very high7 Ų755.8 Ų55.84%0.04228%0.281CS..EExtended strand (participates in β ladder)trans-130.6102.2-177.2-168.70000107.9Y89 I90 F91 R115 F122 Q123 I126Y89-V117 HydrophobicContact CD1-CG2 4.04Å; I90-V117 PolarHBondContact O-N 2.87Å; F91-V117 HydrophobicContact CD1-CB 4.03Å; F91-V117 HydrophobicContact CD1-CG2 4.3Å; F91-V117 HydrophobicContact CE1-CB 4.16Å; F91-V117 HydrophobicContact CE1-CG2 4.08Å; R115-V117 HydrophobicContact CG-CG2 4.23Å; V117-F122 HydrophobicContact CG1-CB 3.69Å; V117-Q123 HydrophobicContact CB-CG 3.94Å; V117-Q123 HydrophobicContact CG1-CB 4.41Å; V117-Q123 HydrophobicContact CG1-CG 3.74Å; V117-Q123 VanDerWaalsContact O-CG 3.25Å; V117-Q123 WeakPolarHBondContact O-CG 3.49Å; V117-Q123 PolarHBondContact O-NE2 3.09Å; V117-I126 HydrophobicContact CB-CD1 4.46Å; V117-I126 HydrophobicContact CG1-CD1 4.07Å; V117-I126 HydrophobicContact CG2-CD1 3.58Å
118I98.3Very high97.5Very high56 Ų5658.6 Ų58.629%0.28730%0.301SS..  trans-87.9-29.5-177.4-60.6179.5000112.1G92 N101 P120G92-I118 WeakPolarHBondContact O-CA 3.26Å; N101-I118 VanDerWaalsContact ND2-CD1 3.27Å; N101-I118 WeakPolarHBondContact ND2-CD1 3.18Å; N101-I118 WeakPolarHBondContact OD1-CD1 3.49Å; I118-P120 WeakPolarHBondContact O-CD 3.48Å
119D98.5Very high97.7Very high76 Ų7660.9 Ų60.941%0.40631%0.313SS..SBendtrans-75.2121.8179.9180-81.1000111H121 F122 Q123D119-H121 VanDerWaalsContact C-N 3.31Å; D119-H121 PolarHBondContact O-N 3.2Å; D119-H121 WeakPolarHBondContact OD1-CA 3.28Å; D119-H121 VanDerWaalsContact OD1-CB 3.26Å; D119-H121 WeakPolarHBondContact OD1-CB 3.46Å; D119-H121 PolarHBondContact OD1-N 3.08Å; D119-F122 HydrophobicContact CB-CB 4.23Å; D119-F122 HydrophobicContact CB-CD2 3.78Å; D119-F122 PolarHBondContact O-N 2.97Å; D119-F122 WeakPolarHBondContact OD1-CD2 3.47Å; D119-F122 PolarHBondContact OD1-N 3.15Å; D119-Q123 WeakPolarHBondContact O-CG 3.27Å; D119-Q123 PolarHBondContact O-N 3.31Å
120P98.4Very high98.1Very high38 Ų3856.5 Ų56.525%0.24730%0.297CS..Hα-helixtrans-59.6-34.9-178.2-28.336.8000115V93 I118 Q123 A124 D147V93-P120 HydrophobicContact CG1-CG 3.92Å; I118-P120 WeakPolarHBondContact O-CD 3.48Å; P120-Q123 PolarHBondContact O-N 3.08Å; P120-A124 PolarHBondContact O-N 2.78Å; P120-D147 HydrophobicContact CB-CB 3.87Å; P120-D147 HydrophobicContact CG-CB 3.8Å
121H98.6Very high98.3Very high146 Ų14658.9 Ų58.968%0.67631%0.312SS*.Hα-helixtrans-68.1-45179-97.760.1000110.3D119 Q123 A124 Q125D119-H121 VanDerWaalsContact C-N 3.31Å; D119-H121 PolarHBondContact O-N 3.2Å; D119-H121 WeakPolarHBondContact OD1-CA 3.28Å; D119-H121 VanDerWaalsContact OD1-CB 3.26Å; D119-H121 WeakPolarHBondContact OD1-CB 3.46Å; D119-H121 PolarHBondContact OD1-N 3.08Å; H121-Q123 VanDerWaalsContact C-N 3.34Å; H121-Q123 PolarHBondContact O-N 2.85Å; H121-A124 PolarHBondContact O-N 3.49Å; H121-Q125 WeakPolarHBondContact O-CG 3.12Å; H121-Q125 PolarHBondContact O-N 3.28Å
122F98.8Very high98.5Very high109 Ų10962.2 Ų62.248%0.47832%0.315SS..Hα-helixtrans-66-35174.7-75.8-65.3000112.5V117 D119 Q125 I126V117-F122 HydrophobicContact CG1-CB 3.69Å; D119-F122 HydrophobicContact CB-CB 4.23Å; D119-F122 HydrophobicContact CB-CD2 3.78Å; D119-F122 PolarHBondContact O-N 2.97Å; D119-F122 WeakPolarHBondContact OD1-CD2 3.47Å; D119-F122 PolarHBondContact OD1-N 3.15Å; F122-Q125 PolarHBondContact O-N 3.46Å; F122-I126 WeakPolarHBondContact O-CB 3.27Å; F122-I126 VanDerWaalsContact O-CG1 3.31Å; F122-I126 WeakPolarHBondContact O-CG1 3.4Å; F122-I126 PolarHBondContact O-N 2.92Å
123Q98.8Very high98.6Very high0 Ų068 Ų680%034%0.34CS..Hα-helixtrans-58.1-49172.3-71.2176.116.700111F91 G92 V117 D119 P120 H121 I126 A127 S151F91-Q123 HydrophobicContact CB-CG 4.18Å; F91-Q123 HydrophobicContact CD1-CB 4.21Å; F91-Q123 HydrophobicContact CD1-CG 3.76Å; F91-Q123 HydrophobicContact CD2-CB 4.24Å; F91-Q123 HydrophobicContact CD2-CG 4.38Å; F91-Q123 HydrophobicContact CE1-CB 4.29Å; F91-Q123 HydrophobicContact CE1-CG 4.23Å; F91-Q123 HydrophobicContact CE2-CB 4.35Å; F91-Q123 HydrophobicContact CG-CB 4.2Å; F91-Q123 HydrophobicContact CG-CG 3.85Å; F91-Q123 HydrophobicContact CZ-CB 4.38Å; F91-Q123 WeakPolarHBondContact CZ-O 3.49Å; G92-Q123 PolarHBondContact O-NE2 3.49Å; V117-Q123 HydrophobicContact CB-CG 3.94Å; V117-Q123 HydrophobicContact CG1-CB 4.41Å; V117-Q123 HydrophobicContact CG1-CG 3.74Å; V117-Q123 VanDerWaalsContact O-CG 3.25Å; V117-Q123 WeakPolarHBondContact O-CG 3.49Å; V117-Q123 PolarHBondContact O-NE2 3.09Å; D119-Q123 WeakPolarHBondContact O-CG 3.27Å; D119-Q123 PolarHBondContact O-N 3.31Å; P120-Q123 PolarHBondContact O-N 3.08Å; H121-Q123 VanDerWaalsContact C-N 3.34Å; H121-Q123 PolarHBondContact O-N 2.85Å; Q123-I126 PolarHBondContact O-N 3.35Å; Q123-A127 WeakPolarHBondContact O-CB 3.34Å; Q123-A127 PolarHBondContact O-N 3Å; Q123-S151 VanDerWaalsContact CB-OG 3.27Å; Q123-S151 WeakPolarHBondContact CB-OG 3.24Å; Q123-S151 PolarHBondContact OE1-OG 2.87Å
124A98.8Very high98.7Very high30 Ų3060.5 Ų60.525%0.24831%0.305CS..Hα-helixtrans-65.1-41.2179.800000112.6P120 H121 A127 S128 I154P120-A124 PolarHBondContact O-N 2.78Å; H121-A124 PolarHBondContact O-N 3.49Å; A124-A127 PolarHBondContact O-N 3.04Å; A124-S128 WeakPolarHBondContact O-CB 3.14Å; A124-S128 PolarHBondContact O-N 2.97Å; A124-I154 HydrophobicContact CB-CD1 3.84Å
125Q98.8Very high98.7Very high104 Ų10459.6 Ų59.649%0.48630%0.299SS..Hα-helixtrans-61.8-49.4175.8-74.8177.5-27.400111.5H121 F122 S128H121-Q125 WeakPolarHBondContact O-CG 3.12Å; H121-Q125 PolarHBondContact O-N 3.28Å; F122-Q125 PolarHBondContact O-N 3.46Å; Q125-S128 PolarHBondContact O-N 3.15Å; Q125-S128 PolarHBondContact O-OG 2.99Å
126I98.9Very high98.7Very high19 Ų1953.5 Ų53.510%0.09728%0.275CS..Hα-helixtrans-61.7-48.7177.7-72.4165.7000110Y89 F91 V117 F122 Q123 S128 L129 L130Y89-I126 HydrophobicContact CD1-CD1 4.12Å; Y89-I126 HydrophobicContact CD1-CG2 3.62Å; Y89-I126 HydrophobicContact CD2-CG2 3.75Å; Y89-I126 HydrophobicContact CE1-CD1 3.91Å; Y89-I126 HydrophobicContact CE1-CG1 4.36Å; Y89-I126 HydrophobicContact CE1-CG2 3.6Å; Y89-I126 HydrophobicContact CE2-CG2 3.76Å; Y89-I126 HydrophobicContact CG-CG2 3.67Å; F91-I126 HydrophobicContact CE1-CG2 4.25Å; F91-I126 HydrophobicContact CZ-CB 4.37Å; F91-I126 HydrophobicContact CZ-CG2 4.06Å; V117-I126 HydrophobicContact CB-CD1 4.46Å; V117-I126 HydrophobicContact CG1-CD1 4.07Å; V117-I126 HydrophobicContact CG2-CD1 3.58Å; F122-I126 WeakPolarHBondContact O-CB 3.27Å; F122-I126 VanDerWaalsContact O-CG1 3.31Å; F122-I126 WeakPolarHBondContact O-CG1 3.4Å; F122-I126 PolarHBondContact O-N 2.92Å; Q123-I126 PolarHBondContact O-N 3.35Å; I126-S128 PolarHBondContact O-N 3.45Å; I126-S128 VanDerWaalsContact O-N 3.15Å; I126-L129 PolarHBondContact O-N 3.07Å; I126-L130 HydrophobicContact CG2-CD2 4.07Å; I126-L130 WeakPolarHBondContact O-CG 3.22Å; I126-L130 PolarHBondContact O-N 3.24Å
127A98.8Very high98.7Very high0 Ų052.8 Ų52.80%027%0.27CS..Hα-helixtrans-54.1-34.6177.300000113.4F91 Q123 A124 L129 S151 I154 A155 N158F91-A127 HydrophobicContact CE2-CB 3.97Å; F91-A127 HydrophobicContact CZ-CB 4.25Å; Q123-A127 WeakPolarHBondContact O-CB 3.34Å; Q123-A127 PolarHBondContact O-N 3Å; A124-A127 PolarHBondContact O-N 3.04Å; A127-L129 PolarHBondContact O-N 3.4Å; A127-S151 WeakPolarHBondContact CB-O 3.43Å; A127-I154 HydrophobicContact CB-CB 3.91Å; A127-I154 HydrophobicContact CB-CG2 3.75Å; A127-A155 HydrophobicContact CB-CB 4.1Å; A127-N158 PolarHBondContact O-ND2 3.27Å
128S98.7Very high98.7Very high60 Ų6052.4 Ų52.442%0.4227%0.268SS..THydrogen-bonded Turntrans-68.6-16.5179.177.50000114A124 Q125 I126 N158A124-S128 WeakPolarHBondContact O-CB 3.14Å; A124-S128 PolarHBondContact O-N 2.97Å; Q125-S128 PolarHBondContact O-N 3.15Å; Q125-S128 PolarHBondContact O-OG 2.99Å; I126-S128 PolarHBondContact O-N 3.45Å; I126-S128 VanDerWaalsContact O-N 3.15Å; S128-N158 VanDerWaalsContact CA-ND2 3.34Å; S128-N158 WeakPolarHBondContact CA-ND2 3.37Å; S128-N158 PolarHBondContact O-ND2 3.27Å
129L98.7Very high98.7Very high140 Ų14049.8 Ų49.873%0.73326%0.255SS*.THydrogen-bonded Turntrans-109.9-2.7-176.4-59.1175.4000113.6I126 A127I126-L129 PolarHBondContact O-N 3.07Å; A127-L129 PolarHBondContact O-N 3.4Å
130L98.7Very high98.6Very high11 Ų1146.1 Ų46.16%0.05824%0.235CC..  trans-71.5162.6179.1-58.4-178.9000111.6Y89 I126 D134 V136 A155 N158 A160Y89-L130 HydrophobicContact CD2-CD2 3.65Å; Y89-L130 HydrophobicContact CE2-CD2 3.65Å; I126-L130 HydrophobicContact CG2-CD2 4.07Å; I126-L130 WeakPolarHBondContact O-CG 3.22Å; I126-L130 PolarHBondContact O-N 3.24Å; L130-D134 HydrophobicContact CB-CB 4.26Å; L130-D134 HydrophobicContact CD2-CB 3.97Å; L130-V136 HydrophobicContact CD1-CG2 3.22Å; L130-A155 HydrophobicContact CD1-CB 4Å; L130-N158 WeakPolarHBondContact O-CB 3.34Å; L130-A160 HydrophobicContact CB-CB 3.84Å; L130-A160 HydrophobicContact CD1-CB 3.9Å
131T98.7Very high98.3Very high54 Ų5445 Ų4533%0.33123%0.227SC..  trans-130.1178.3176.266.30000110.6K133 D134 A160T131-K133 PolarHBondContact O-N 3Å; T131-K133 PolarHBondContact OG1-N 3.14Å; T131-D134 PolarHBondContact N-OD2 3.38Å; T131-D134 PolarHBondContact O-N 3.14Å; T131-D134 PolarHBondContact OG1-OD2 3.36Å; T131-A160 WeakPolarHBondContact O-CA 3.25Å
132E98.6Very high98Very high115 Ų11540.4 Ų40.454%0.53721%0.211SC..THydrogen-bonded Turntrans-61-12.9174.871.6-78.2-179.800114.9H159E132-H159 WeakPolarHBondContact CA-O 3.26Å; E132-H159 HydrophobicContact CB-CB 4.06Å
133K98.6Very high97.7Very high133 Ų13335.2 Ų35.258%0.57819%0.188SC*.THydrogen-bonded Turntrans-89.3-11.1177.5-60.4-179-177.6176.30113.2N86 T131N86-K133 HydrophobicContact CB-CB 3.97Å; N86-K133 WeakPolarHBondContact CB-O 3.31Å; N86-K133 PolarHBondContact N-O 2.9Å; T131-K133 PolarHBondContact O-N 3Å; T131-K133 PolarHBondContact OG1-N 3.14Å
134D98.8Very high97.5Very high10 Ų1041.6 Ų41.65%0.05321%0.213CC..  trans-102.6154.3-174-51.1-53.7000111.2N86 Q87 L130 T131 K161N86-D134 PolarHBondContact ND2-OD1 3.3Å; Q87-D134 HydrophobicContact CB-CB 4.36Å; Q87-D134 WeakPolarHBondContact CB-OD1 3.47Å; Q87-D134 PolarHBondContact N-OD1 3.19Å; L130-D134 HydrophobicContact CB-CB 4.26Å; L130-D134 HydrophobicContact CD2-CB 3.97Å; T131-D134 PolarHBondContact N-OD2 3.38Å; T131-D134 PolarHBondContact O-N 3.14Å; T131-D134 PolarHBondContact OG1-OD2 3.36Å; D134-K161 PolarHBondContact O-N 3.49Å
135L98.9Very high97.3Very high0 Ų042 Ų420%021%0.212CC..EExtended strand (participates in β ladder)trans-119.2136.7-177.5173.464.4000110.8M81 I82 A85 Q87 I88 Y89 I137 K161 I163M81-L135 HydrophobicContact CB-CD1 4.21Å; M81-L135 HydrophobicContact CB-CD2 4.38Å; M81-L135 HydrophobicContact CE-CD1 3.88Å; I82-L135 HydrophobicContact CB-CD2 4.3Å; I82-L135 HydrophobicContact CG1-CD2 3.62Å; A85-L135 HydrophobicContact CB-CB 3.58Å; A85-L135 HydrophobicContact CB-CD2 4.25Å; Q87-L135 PolarHBondContact O-N 3.5Å; I88-L135 WeakPolarHBondContact CA-O 3.44Å; I88-L135 HydrophobicContact CG1-CB 4.37Å; I88-L135 HydrophobicContact CG1-CD2 4.3Å; I88-L135 HydrophobicContact CG2-CD2 4.3Å; Y89-L135 PolarHBondContact N-O 3.2Å; L135-I137 HydrophobicContact CD2-CG1 4.32Å; L135-I137 HydrophobicContact CG-CG1 4.33Å; L135-K161 WeakPolarHBondContact CA-O 3.37Å; L135-K161 HydrophobicContact CD1-CB 4.03Å; L135-I163 HydrophobicContact CD1-CD1 3.89Å; L135-I163 HydrophobicContact CD1-CG1 4.01Å; L135-I163 HydrophobicContact CD2-CD1 4.05Å
136V98.9Very high97.2Very high0 Ų043.6 Ų43.60%022%0.218CC..EExtended strand (participates in β ladder)trans-116.2129.5166.8-173.40000110.9Y89 F91 L130 L152 A155 K161 I162 I163Y89-V136 CarbonylContact O-C 3.37Å; Y89-V136 VanDerWaalsContact O-CA 3.3Å; Y89-V136 WeakPolarHBondContact O-CA 3.26Å; F91-V136 HydrophobicContact CB-CG1 4.16Å; F91-V136 HydrophobicContact CD1-CG1 4.21Å; F91-V136 HydrophobicContact CD2-CG1 3.36Å; F91-V136 HydrophobicContact CE1-CG1 4.47Å; F91-V136 HydrophobicContact CE2-CG1 3.64Å; F91-V136 HydrophobicContact CE2-CG2 4.11Å; F91-V136 HydrophobicContact CG-CG1 3.65Å; F91-V136 HydrophobicContact CZ-CG1 4.2Å; F91-V136 HydrophobicContact CZ-CG2 4.32Å; L130-V136 HydrophobicContact CD1-CG2 3.22Å; V136-L152 HydrophobicContact CB-CD2 4.21Å; V136-L152 HydrophobicContact CG1-CD2 3.49Å; V136-L152 VanDerWaalsContact CG1-CD2 3.49Å; V136-A155 HydrophobicContact CG2-CB 3.96Å; V136-K161 PolarHBondContact N-O 2.73Å; V136-I162 CarbonylContact O-C 3.53Å; V136-I162 WeakPolarHBondContact O-CA 3.29Å; V136-I163 PolarHBondContact O-N 3.09Å
137I98.9Very high97.2Very high0 Ų046.4 Ų46.40%023%0.233CC..EExtended strand (participates in β ladder)trans-103.9108.9169.2-52.1178.7000108.3I82 I88 Y89 I90 F91 L103 L135 F139 I163 I165I82-I137 HydrophobicContact CD1-CD1 4.26Å; I82-I137 HydrophobicContact CG1-CD1 4.39Å; I88-I137 HydrophobicContact CG2-CD1 4.27Å; Y89-I137 PolarHBondContact O-N 3.2Å; I90-I137 CarbonylContact C-O 3.32Å; I90-I137 WeakPolarHBondContact CA-O 3.36Å; I90-I137 HydrophobicContact CG1-CB 4.33Å; F91-I137 PolarHBondContact N-O 2.93Å; L103-I137 HydrophobicContact CD2-CD1 3.96Å; L103-I137 HydrophobicContact CD2-CG2 4.16Å; L135-I137 HydrophobicContact CD2-CG1 4.32Å; L135-I137 HydrophobicContact CG-CG1 4.33Å; I137-F139 HydrophobicContact CG2-CD2 4.35Å; I137-F139 HydrophobicContact CG2-CE2 3.78Å; I137-F139 HydrophobicContact CG2-CZ 4.46Å; I137-I163 CarbonylContact C-O 3.27Å; I137-I163 WeakPolarHBondContact CA-O 2.97Å; I137-I163 HydrophobicContact CG1-CB 4.36Å; I137-I163 HydrophobicContact CG1-CD1 4.25Å; I137-I163 HydrophobicContact CG2-CB 4.45Å; I137-I163 HydrophobicContact CG2-CG2 4.41Å; I137-I165 HydrophobicContact CG2-CD1 4.16Å; I137-I165 HydrophobicContact CG2-CG1 4.29Å
138G98.8Very high97.2Very high0 Ų046.4 Ų46.40%023%0.233CC..EExtended strand (participates in β ladder)trans-99.2123.2-176.100000113.5F91 I163 A164 I165F91-G138 CarbonylContact O-C 3.54Å; F91-G138 WeakPolarHBondContact O-CA 3.39Å; G138-I163 PolarHBondContact N-O 3.3Å; G138-A164 WeakPolarHBondContact O-CA 3.41Å; G138-I165 PolarHBondContact O-N 3.24Å
139F98Very high97.2Very high0 Ų046 Ų460%022%0.224CC..EExtended strand (participates in β ladder)trans-104123.7175.5-72.4-100.5000111.9I90 F91 T99 L103 I137 I165 Q200 C204I90-F139 HydrophobicContact CG2-CD2 3.77Å; I90-F139 HydrophobicContact CG2-CE2 3.56Å; F91-F139 PolarHBondContact O-N 3.46Å; T99-F139 HydrophobicContact CG2-CD1 4.32Å; T99-F139 HydrophobicContact CG2-CE1 3.8Å; T99-F139 HydrophobicContact CG2-CZ 4.37Å; L103-F139 HydrophobicContact CB-CZ 4.47Å; L103-F139 HydrophobicContact CD2-CE2 3.88Å; L103-F139 HydrophobicContact CD2-CZ 3.87Å; I137-F139 HydrophobicContact CG2-CD2 4.35Å; I137-F139 HydrophobicContact CG2-CE2 3.78Å; I137-F139 HydrophobicContact CG2-CZ 4.46Å; F139-I165 HydrophobicContact CD1-CB 3.86Å; F139-I165 HydrophobicContact CD1-CG2 3.95Å; F139-I165 HydrophobicContact CE1-CB 3.9Å; F139-I165 HydrophobicContact CE1-CD1 3.73Å; F139-I165 HydrophobicContact CE1-CG1 4.27Å; F139-I165 HydrophobicContact CE1-CG2 3.85Å; F139-I165 HydrophobicContact CE2-CD1 4.27Å; F139-I165 HydrophobicContact CG-CB 4.36Å; F139-I165 HydrophobicContact CZ-CB 4.45Å; F139-I165 HydrophobicContact CZ-CD1 3.6Å; F139-I165 HydrophobicContact CZ-CG1 4.36Å; F139-Q200 HydrophobicContact CD1-CB 4.36Å; F139-Q200 HydrophobicContact CD1-CG 4.29Å; F139-Q200 HydrophobicContact CE1-CB 4.18Å; F139-C204 VanDerWaalsContact CZ-SG 3.55Å
140S95.8Very high97.2Very high0 Ų042 Ų420%020%0.203CC..  trans-155.9113.3161.6175.70000108.6S142 G143 R144 T145 I165 T166S140-S142 VanDerWaalsContact C-N 3.34Å; S140-S142 PolarHBondContact O-N 2.91Å; S140-S142 PolarHBondContact OG-OG 2.7Å; S140-G143 WeakPolarHBondContact O-CA 3.41Å; S140-G143 PolarHBondContact O-N 3.4Å; S140-G143 WeakPolarHBondContact OG-CA 3.36Å; S140-G143 PolarHBondContact OG-N 3.16Å; S140-G143 VanDerWaalsContact OG-N 3.09Å; S140-R144 PolarHBondContact OG-N 3.22Å; S140-T145 WeakPolarHBondContact OG-CB 3.34Å; S140-T145 PolarHBondContact OG-N 3.19Å; S140-T145 PolarHBondContact OG-OG1 3.43Å; S140-I165 PolarHBondContact N-O 3.29Å; S140-I165 VanDerWaalsContact N-O 3.16Å; S140-T166 WeakPolarHBondContact O-CA 3.43Å; S140-T166 WeakPolarHBondContact O-CB 3.4Å; S140-T166 PolarHBondContact O-OG1 3.41Å
141L93.1Very high97.2Very high14 Ų1441.6 Ų41.67%0.07320%0.202CC..THydrogen-bonded Turntrans-58.4-47.4-179.5-162.760.5000111.4G143 T166 N167 T183 I185 Q200L141-G143 PolarHBondContact O-N 3.11Å; L141-T166 PolarHBondContact O-OG1 3.21Å; L141-N167 HydrophobicContact CD1-CB 4.41Å; L141-N167 WeakPolarHBondContact O-CB 3.44Å; L141-N167 PolarHBondContact O-N 3.03Å; L141-T183 HydrophobicContact CD1-CG2 4.4Å; L141-T183 WeakPolarHBondContact CD1-OG1 3.38Å; L141-I185 HydrophobicContact CD1-CD1 4.24Å; L141-I185 HydrophobicContact CD1-CG1 4.05Å; L141-I185 HydrophobicContact CD2-CD1 3.35Å; L141-I185 HydrophobicContact CD2-CG1 4.09Å; L141-I185 HydrophobicContact CG-CD1 3.85Å; L141-I185 HydrophobicContact CG-CG1 4.11Å; L141-Q200 HydrophobicContact CD1-CG 4.31Å
142S90.9Very high97.2Very high49 Ų4939 Ų3934%0.34319%0.186SC..THydrogen-bonded Turntrans-69.4-18.7173.869.90000113.8S140 R144S140-S142 VanDerWaalsContact C-N 3.34Å; S140-S142 PolarHBondContact O-N 2.91Å; S140-S142 PolarHBondContact OG-OG 2.7Å; S142-R144 PolarHBondContact O-N 2.69Å; S142-R144 PolarHBondContact OG-N 3.43Å
143G93.9Very high97.2Very high0 Ų036 Ų360%017%0.173CC..SBendtrans6511.4-17200000114.3S140 L141 T166 S171 P172 I173S140-G143 WeakPolarHBondContact O-CA 3.41Å; S140-G143 PolarHBondContact O-N 3.4Å; S140-G143 WeakPolarHBondContact OG-CA 3.36Å; S140-G143 PolarHBondContact OG-N 3.16Å; S140-G143 VanDerWaalsContact OG-N 3.09Å; L141-G143 PolarHBondContact O-N 3.11Å; G143-T166 WeakPolarHBondContact CA-OG1 3.02Å; G143-T166 PolarHBondContact N-OG1 3.12Å; G143-S171 WeakPolarHBondContact O-CB 3.36Å; G143-P172 VanDerWaalsContact O-CD 3.28Å; G143-P172 WeakPolarHBondContact O-CD 3.29Å; G143-I173 PolarHBondContact O-N 3.2Å
144R93.6Very high97.2Very high134 Ų13432.1 Ų32.151%0.50616%0.158SC..  trans-126.98.3-171-69179179.5-75.7-6.7113S140 S142 K146 P172S140-R144 PolarHBondContact OG-N 3.22Å; S142-R144 PolarHBondContact O-N 2.69Å; S142-R144 PolarHBondContact OG-N 3.43Å; R144-K146 PolarHBondContact O-N 3.34Å; R144-K146 VanDerWaalsContact O-N 3.09Å; R144-P172 HydrophobicContact CG-CG 4.02Å
145T95.1Very high97.2Very high40 Ų4031.6 Ų31.625%0.24516%0.156CC..  trans-64.6112.2175.2-53.10000109.3V93 S140 D147 T148 H149V93-T145 HydrophobicContact CG2-CG2 3.36Å; S140-T145 WeakPolarHBondContact OG-CB 3.34Å; S140-T145 PolarHBondContact OG-N 3.19Å; S140-T145 PolarHBondContact OG-OG1 3.43Å; T145-D147 VanDerWaalsContact C-N 3.33Å; T145-D147 PolarHBondContact O-N 3.01Å; T145-T148 PolarHBondContact O-N 3.42Å; T145-H149 WeakPolarHBondContact O-CB 3.27Å; T145-H149 PolarHBondContact O-N 2.99Å
146K97.2Very high97.2Very high137 Ų13735 Ų3560%0.59617%0.17SC*.Hα-helixtrans-57.6-45-172.6178.6170.1173.245.60112.2R144 T148 H149 D150R144-K146 PolarHBondContact O-N 3.34Å; R144-K146 VanDerWaalsContact O-N 3.09Å; K146-T148 PolarHBondContact O-N 2.97Å; K146-H149 PolarHBondContact O-N 3.47Å; K146-D150 WeakPolarHBondContact CE-OD2 3.27Å; K146-D150 IonicContact NZ-OD1 2.69Å; K146-D150 PolarHBondContact NZ-OD1 3.38Å; K146-D150 IonicContact NZ-OD2 3.77Å; K146-D150 PolarHBondContact NZ-OD2 3.38Å; K146-D150 WeakPolarHBondContact O-CB 3.47Å; K146-D150 VanDerWaalsContact O-CG 3.29Å; K146-D150 PolarHBondContact O-N 3.21Å
147D98.4Very high97.2Very high78 Ų7841.7 Ų41.742%0.41720%0.199SC..Hα-helixtrans-58.5-48.9-178.3-61.7-43.5000112.3V93 P120 T145 S151V93-D147 HydrophobicContact CG1-CB 4.01Å; P120-D147 HydrophobicContact CB-CB 3.87Å; P120-D147 HydrophobicContact CG-CB 3.8Å; T145-D147 VanDerWaalsContact C-N 3.33Å; T145-D147 PolarHBondContact O-N 3.01Å; D147-S151 PolarHBondContact O-N 2.98Å; D147-S151 PolarHBondContact O-OG 3.32Å
148T98.6Very high97.2Very high0 Ų044.2 Ų44.20%021%0.213CC..Hα-helixtrans-64.4-45.8174.8-49.60000111.1F91 T145 K146 D150 S151 L152F91-T148 HydrophobicContact CB-CG2 4.49Å; T145-T148 PolarHBondContact O-N 3.42Å; K146-T148 PolarHBondContact O-N 2.97Å; T148-D150 PolarHBondContact O-N 3.18Å; T148-S151 PolarHBondContact O-N 2.68Å; T148-L152 HydrophobicContact CG2-CD1 4.03Å; T148-L152 HydrophobicContact CG2-CG 4.3Å; T148-L152 VanDerWaalsContact O-CG 3.29Å; T148-L152 WeakPolarHBondContact O-CG 3.31Å; T148-L152 PolarHBondContact O-N 3.03Å
149H98.7Very high97.2Very high50 Ų5050.9 Ų50.923%0.23124%0.244CC..Hα-helixtrans-58.5-47.3-179.2166.8-86000112.5T145 K146 S151 L152 N153 P172 I173T145-H149 WeakPolarHBondContact O-CB 3.27Å; T145-H149 PolarHBondContact O-N 2.99Å; K146-H149 PolarHBondContact O-N 3.47Å; H149-S151 VanDerWaalsContact C-N 3.32Å; H149-S151 PolarHBondContact O-N 3.31Å; H149-L152 PolarHBondContact O-N 3.12Å; H149-N153 WeakPolarHBondContact O-CB 3.4Å; H149-N153 PolarHBondContact O-N 2.98Å; H149-P172 VanDerWaalsContact CD2-CB 3.47Å; H149-P172 WeakPolarHBondContact CD2-CB 3.39Å; H149-I173 HydrophobicContact CB-CG2 3.84Å
150D98.8Very high97.2Very high56 Ų5650.9 Ų50.930%0.29924%0.244SC..Hα-helixtrans-65.1-40.1-177.5-70.1-5.3000110.8K146 T148 N153 I154K146-D150 WeakPolarHBondContact CE-OD2 3.27Å; K146-D150 IonicContact NZ-OD1 2.69Å; K146-D150 PolarHBondContact NZ-OD1 3.38Å; K146-D150 IonicContact NZ-OD2 3.77Å; K146-D150 PolarHBondContact NZ-OD2 3.38Å; K146-D150 WeakPolarHBondContact O-CB 3.47Å; K146-D150 VanDerWaalsContact O-CG 3.29Å; K146-D150 PolarHBondContact O-N 3.21Å; T148-D150 PolarHBondContact O-N 3.18Å; D150-N153 WeakPolarHBondContact O-CB 3.31Å; D150-N153 PolarHBondContact O-N 3.27Å; D150-I154 WeakPolarHBondContact O-CG1 3.43Å; D150-I154 PolarHBondContact O-N 3.05Å
151S98.9Very high97.4Very high3 Ų353.9 Ų53.92%0.02126%0.257CS..Hα-helixtrans-65.5-42.1175.8-57.30000112.6Q123 A127 D147 T148 H149 N153 I154 A155Q123-S151 VanDerWaalsContact CB-OG 3.27Å; Q123-S151 WeakPolarHBondContact CB-OG 3.24Å; Q123-S151 PolarHBondContact OE1-OG 2.87Å; A127-S151 WeakPolarHBondContact CB-O 3.43Å; D147-S151 PolarHBondContact O-N 2.98Å; D147-S151 PolarHBondContact O-OG 3.32Å; T148-S151 PolarHBondContact O-N 2.68Å; H149-S151 VanDerWaalsContact C-N 3.32Å; H149-S151 PolarHBondContact O-N 3.31Å; S151-N153 VanDerWaalsContact C-N 3.32Å; S151-N153 PolarHBondContact O-N 3.27Å; S151-I154 PolarHBondContact O-N 3.21Å; S151-A155 PolarHBondContact O-N 3.09Å
152L98.9Very high97.7Very high0 Ų053.2 Ų53.20%025%0.254CS..Hα-helixtrans-64.4-36.7173.8-69178.3000112.2F91 V136 T148 H149 I154 A155 K156 I162 I173 L176F91-L152 HydrophobicContact CD2-CD2 4.18Å; V136-L152 HydrophobicContact CB-CD2 4.21Å; V136-L152 HydrophobicContact CG1-CD2 3.49Å; V136-L152 VanDerWaalsContact CG1-CD2 3.49Å; T148-L152 HydrophobicContact CG2-CD1 4.03Å; T148-L152 HydrophobicContact CG2-CG 4.3Å; T148-L152 VanDerWaalsContact O-CG 3.29Å; T148-L152 WeakPolarHBondContact O-CG 3.31Å; T148-L152 PolarHBondContact O-N 3.03Å; H149-L152 PolarHBondContact O-N 3.12Å; L152-I154 VanDerWaalsContact C-N 3.33Å; L152-I154 PolarHBondContact O-N 2.95Å; L152-A155 PolarHBondContact O-N 3.4Å; L152-K156 WeakPolarHBondContact O-CB 3.44Å; L152-K156 PolarHBondContact O-N 2.98Å; L152-I162 HydrophobicContact CB-CD1 4.32Å; L152-I162 HydrophobicContact CD2-CD1 4.38Å; L152-I162 HydrophobicContact CD2-CG2 3.92Å; L152-I162 VanDerWaalsContact O-CD1 3.31Å; L152-I162 WeakPolarHBondContact O-CD1 3.42Å; L152-I173 HydrophobicContact CD1-CB 3.75Å; L152-I173 HydrophobicContact CD1-CG2 3.92Å; L152-L176 HydrophobicContact CB-CD1 3.98Å
153N98.9Very high98Very high52 Ų5250.9 Ų50.928%0.27824%0.237SC..Hα-helixtrans-65.8-37.1176.3-176.146.7000111.7H149 D150 S151 K157 L176H149-N153 WeakPolarHBondContact O-CB 3.4Å; H149-N153 PolarHBondContact O-N 2.98Å; D150-N153 WeakPolarHBondContact O-CB 3.31Å; D150-N153 PolarHBondContact O-N 3.27Å; S151-N153 VanDerWaalsContact C-N 3.32Å; S151-N153 PolarHBondContact O-N 3.27Å; N153-K157 WeakPolarHBondContact O-CG 3.38Å; N153-K157 PolarHBondContact O-N 3.45Å; N153-K157 VanDerWaalsContact O-N 3.13Å; N153-L176 HydrophobicContact CB-CD1 3.98Å; N153-L176 HydrophobicContact CB-CD2 4.43Å
154I98.9Very high98.3Very high51 Ų5150.9 Ų50.926%0.26224%0.237SC..Hα-helixtrans-64.2-47.7172.1-64.2164.3000110A124 A127 D150 S151 L152 K156 K157 N158A124-I154 HydrophobicContact CB-CD1 3.84Å; A127-I154 HydrophobicContact CB-CB 3.91Å; A127-I154 HydrophobicContact CB-CG2 3.75Å; D150-I154 WeakPolarHBondContact O-CG1 3.43Å; D150-I154 PolarHBondContact O-N 3.05Å; S151-I154 PolarHBondContact O-N 3.21Å; L152-I154 VanDerWaalsContact C-N 3.33Å; L152-I154 PolarHBondContact O-N 2.95Å; I154-K156 VanDerWaalsContact C-N 3.31Å; I154-K156 PolarHBondContact O-N 2.85Å; I154-K157 WeakPolarHBondContact O-CB 3.13Å; I154-K157 PolarHBondContact O-N 3.23Å; I154-K157 VanDerWaalsContact O-N 3.17Å; I154-N158 PolarHBondContact O-N 3.01Å; I154-N158 VanDerWaalsContact O-N 3.17Å; I154-N158 PolarHBondContact O-ND2 3.29Å
155A98.9Very high98.5Very high0 Ų044.5 Ų44.50%021%0.213CC..Hα-helixtrans-57.5-43.717800000111.7A127 L130 V136 S151 L152 K157 N158 H159 A160 I162A127-A155 HydrophobicContact CB-CB 4.1Å; L130-A155 HydrophobicContact CD1-CB 4Å; V136-A155 HydrophobicContact CG2-CB 3.96Å; S151-A155 PolarHBondContact O-N 3.09Å; L152-A155 PolarHBondContact O-N 3.4Å; A155-K157 PolarHBondContact O-N 3.21Å; A155-N158 CarbonylContact O-C 3.53Å; A155-N158 WeakPolarHBondContact O-CA 3.13Å; A155-N158 PolarHBondContact O-N 3.29Å; A155-N158 VanDerWaalsContact O-N 3.1Å; A155-H159 PolarHBondContact O-N 2.87Å; A155-A160 HydrophobicContact CB-CB 4.18Å; A155-A160 WeakPolarHBondContact O-CB 3.2Å; A155-A160 PolarHBondContact O-N 3.26Å; A155-A160 VanDerWaalsContact O-N 3.11Å; A155-I162 HydrophobicContact CB-CD1 4.26Å
156K98.8Very high98.5Very high70 Ų7042.6 Ų42.630%0.30420%0.202SC..Hα-helixtrans-62.7-39.8177.8-168.363.9170.8-162.70112.6L152 I154 N158 H159 I162 L176 D178L152-K156 WeakPolarHBondContact O-CB 3.44Å; L152-K156 PolarHBondContact O-N 2.98Å; I154-K156 VanDerWaalsContact C-N 3.31Å; I154-K156 PolarHBondContact O-N 2.85Å; K156-N158 PolarHBondContact O-N 3.29Å; K156-H159 WeakPolarHBondContact O-CA 3.24Å; K156-H159 PolarHBondContact O-N 3.45Å; K156-I162 HydrophobicContact CB-CD1 3.85Å; K156-I162 HydrophobicContact CD-CD1 4.15Å; K156-L176 WeakPolarHBondContact CD-O 3.43Å; K156-L176 PolarHBondContact NZ-O 2.78Å; K156-D178 VanDerWaalsContact NZ-CG 3.33Å; K156-D178 IonicContact NZ-OD1 2.71Å; K156-D178 PolarHBondContact NZ-OD1 2.73Å; K156-D178 IonicContact NZ-OD2 3.21Å; K156-D178 PolarHBondContact NZ-OD2 2.96Å
157K98.7Very high98.3Very high141 Ų14136.6 Ų36.661%0.61318%0.176SC*.Hα-helixtrans-63.8-28.8175.4-74.5172.9-179-179.80112.6N153 I154 A155 H159N153-K157 WeakPolarHBondContact O-CG 3.38Å; N153-K157 PolarHBondContact O-N 3.45Å; N153-K157 VanDerWaalsContact O-N 3.13Å; I154-K157 WeakPolarHBondContact O-CB 3.13Å; I154-K157 PolarHBondContact O-N 3.23Å; I154-K157 VanDerWaalsContact O-N 3.17Å; A155-K157 PolarHBondContact O-N 3.21Å; K157-H159 VanDerWaalsContact C-N 3.27Å
158N98.6Very high98Very high54 Ų5437.4 Ų37.429%0.28917%0.174SC..THydrogen-bonded Turntrans-90.315.1172.4-73.6-45000113.3A127 S128 L130 I154 A155 K156 A160A127-N158 PolarHBondContact O-ND2 3.27Å; S128-N158 VanDerWaalsContact CA-ND2 3.34Å; S128-N158 WeakPolarHBondContact CA-ND2 3.37Å; S128-N158 PolarHBondContact O-ND2 3.27Å; L130-N158 WeakPolarHBondContact O-CB 3.34Å; I154-N158 PolarHBondContact O-N 3.01Å; I154-N158 VanDerWaalsContact O-N 3.17Å; I154-N158 PolarHBondContact O-ND2 3.29Å; A155-N158 CarbonylContact O-C 3.53Å; A155-N158 WeakPolarHBondContact O-CA 3.13Å; A155-N158 PolarHBondContact O-N 3.29Å; A155-N158 VanDerWaalsContact O-N 3.1Å; K156-N158 PolarHBondContact O-N 3.29Å; N158-A160 PolarHBondContact O-N 3.31Å; N158-A160 VanDerWaalsContact O-N 3.1Å
159H98.5Very high97.7Very high139 Ų13942.1 Ų42.164%0.64420%0.196SC*.THydrogen-bonded Turntrans64.49.7175.4-52-65.9000116.2E132 A155 K156 K157E132-H159 WeakPolarHBondContact CA-O 3.26Å; E132-H159 HydrophobicContact CB-CB 4.06Å; A155-H159 PolarHBondContact O-N 2.87Å; K156-H159 WeakPolarHBondContact O-CA 3.24Å; K156-H159 PolarHBondContact O-N 3.45Å; K157-H159 VanDerWaalsContact C-N 3.27Å
160A98.8Very high97.4Very high1 Ų144.5 Ų44.51%0.00821%0.21CC..  trans-59.1143.4173.200000111.1L130 T131 A155 N158L130-A160 HydrophobicContact CB-CB 3.84Å; L130-A160 HydrophobicContact CD1-CB 3.9Å; T131-A160 WeakPolarHBondContact O-CA 3.25Å; A155-A160 HydrophobicContact CB-CB 4.18Å; A155-A160 WeakPolarHBondContact O-CB 3.2Å; A155-A160 PolarHBondContact O-N 3.26Å; A155-A160 VanDerWaalsContact O-N 3.11Å; N158-A160 PolarHBondContact O-N 3.31Å; N158-A160 VanDerWaalsContact O-N 3.1Å
161K98.9Very high97.2Very high62 Ų6241.9 Ų41.927%0.2720%0.196SC..EExtended strand (participates in β ladder)trans-70.1140.4173.3-72.8-177.7-177.21780109.3M81 E84 D134 L135 V136 D178M81-K161 HydrophobicContact CE-CB 3.65Å; M81-K161 HydrophobicContact CE-CD 4.46Å; M81-K161 HydrophobicContact CE-CG 4.35Å; M81-K161 HydrophobicContact CG-CD 4.29Å; E84-K161 IonicContact OE2-NZ 2.84Å; E84-K161 PolarHBondContact OE2-NZ 3.16Å; D134-K161 PolarHBondContact O-N 3.49Å; L135-K161 WeakPolarHBondContact CA-O 3.37Å; L135-K161 HydrophobicContact CD1-CB 4.03Å; V136-K161 PolarHBondContact N-O 2.73Å; K161-D178 WeakPolarHBondContact CA-OD2 3.37Å
162I98.9Very high97.1Very high0 Ų043.2 Ų43.20%020%0.204CC..EExtended strand (participates in β ladder)trans-130.2125.4-176.5-60.3177.6000111.6V136 L152 A155 K156 A177 D178 V179V136-I162 CarbonylContact O-C 3.53Å; V136-I162 WeakPolarHBondContact O-CA 3.29Å; L152-I162 HydrophobicContact CB-CD1 4.32Å; L152-I162 HydrophobicContact CD2-CD1 4.38Å; L152-I162 HydrophobicContact CD2-CG2 3.92Å; L152-I162 VanDerWaalsContact O-CD1 3.31Å; L152-I162 WeakPolarHBondContact O-CD1 3.42Å; A155-I162 HydrophobicContact CB-CD1 4.26Å; K156-I162 HydrophobicContact CB-CD1 3.85Å; K156-I162 HydrophobicContact CD-CD1 4.15Å; I162-A177 HydrophobicContact CB-CB 4.5Å; I162-A177 HydrophobicContact CG2-CB 3.88Å; I162-D178 PolarHBondContact N-OD2 2.96Å; I162-D178 PolarHBondContact O-N 3.07Å; I162-V179 PolarHBondContact O-N 2.88Å
163I98.9Very high97Very high0 Ų043.2 Ų43.20%020%0.204CC..EExtended strand (participates in β ladder)trans-103.7127.9164.2-62.1161.9000108.1A78 M81 I82 L135 V136 I137 G138 V179 L181A78-I163 HydrophobicContact CB-CD1 3.72Å; A78-I163 HydrophobicContact CB-CG1 4.17Å; A78-I163 HydrophobicContact CB-CG2 4.42Å; M81-I163 HydrophobicContact CB-CD1 4.26Å; M81-I163 HydrophobicContact CE-CG1 3.8Å; M81-I163 HydrophobicContact SD-CD1 4.39Å; M81-I163 HydrophobicContact SD-CG1 3.92Å; I82-I163 HydrophobicContact CG1-CD1 4.3Å; L135-I163 HydrophobicContact CD1-CD1 3.89Å; L135-I163 HydrophobicContact CD1-CG1 4.01Å; L135-I163 HydrophobicContact CD2-CD1 4.05Å; V136-I163 PolarHBondContact O-N 3.09Å; I137-I163 CarbonylContact C-O 3.27Å; I137-I163 WeakPolarHBondContact CA-O 2.97Å; I137-I163 HydrophobicContact CG1-CB 4.36Å; I137-I163 HydrophobicContact CG1-CD1 4.25Å; I137-I163 HydrophobicContact CG2-CB 4.45Å; I137-I163 HydrophobicContact CG2-CG2 4.41Å; G138-I163 PolarHBondContact N-O 3.3Å; I163-V179 CarbonylContact C-O 3.6Å; I163-V179 WeakPolarHBondContact CA-O 3.48Å; I163-V179 HydrophobicContact CG1-CB 4.35Å; I163-L181 HydrophobicContact CG2-CD1 4.18Å; I163-L181 HydrophobicContact CG2-CG 4.3Å
164A98.7Very high97Very high0 Ų041 Ų410%019%0.194CC..EExtended strand (participates in β ladder)trans-106.5131.5172.800000111.8G138 I173 A177 V179 V180 L181G138-A164 WeakPolarHBondContact O-CA 3.41Å; A164-I173 HydrophobicContact CB-CD1 4.18Å; A164-I173 HydrophobicContact CB-CG1 4.27Å; A164-A177 HydrophobicContact CB-CB 3.5Å; A164-A177 VanDerWaalsContact CB-CB 3.5Å; A164-V179 PolarHBondContact N-O 3.39Å; A164-V180 HydrophobicContact CB-CG2 4.5Å; A164-V180 WeakPolarHBondContact O-CA 3.43Å; A164-L181 PolarHBondContact O-N 2.89Å
165I98.3Very high97Very high0 Ų045.5 Ų45.50%021%0.214CC..EExtended strand (participates in β ladder)trans-109.7107.6171.3-55-165.1000108.7I137 G138 F139 S140 L181 T183 Q200 L203 L207I137-I165 HydrophobicContact CG2-CD1 4.16Å; I137-I165 HydrophobicContact CG2-CG1 4.29Å; G138-I165 PolarHBondContact O-N 3.24Å; F139-I165 HydrophobicContact CD1-CB 3.86Å; F139-I165 HydrophobicContact CD1-CG2 3.95Å; F139-I165 HydrophobicContact CE1-CB 3.9Å; F139-I165 HydrophobicContact CE1-CD1 3.73Å; F139-I165 HydrophobicContact CE1-CG1 4.27Å; F139-I165 HydrophobicContact CE1-CG2 3.85Å; F139-I165 HydrophobicContact CE2-CD1 4.27Å; F139-I165 HydrophobicContact CG-CB 4.36Å; F139-I165 HydrophobicContact CZ-CB 4.45Å; F139-I165 HydrophobicContact CZ-CD1 3.6Å; F139-I165 HydrophobicContact CZ-CG1 4.36Å; S140-I165 PolarHBondContact N-O 3.29Å; S140-I165 VanDerWaalsContact N-O 3.16Å; I165-L181 WeakPolarHBondContact CA-O 3.1Å; I165-L181 HydrophobicContact CD1-CD1 4.34Å; I165-L181 HydrophobicContact CG1-CB 4.32Å; I165-L181 HydrophobicContact CG1-CD1 4.5Å; I165-T183 HydrophobicContact CG2-CG2 4.07Å; I165-Q200 HydrophobicContact CG2-CG 4.42Å; I165-L203 HydrophobicContact CG2-CD1 3.91Å; I165-L207 HydrophobicContact CD1-CD1 3.96Å
166T95.9Very high96.9Very high0 Ų046.8 Ų46.80%022%0.22CC..EExtended strand (participates in β ladder)trans-156.7159.7-169.8-171.30000113.1S140 L141 G143 Y168 I173 A174 V180 L181 Q182 T183S140-T166 WeakPolarHBondContact O-CA 3.43Å; S140-T166 WeakPolarHBondContact O-CB 3.4Å; S140-T166 PolarHBondContact O-OG1 3.41Å; L141-T166 PolarHBondContact O-OG1 3.21Å; G143-T166 WeakPolarHBondContact CA-OG1 3.02Å; G143-T166 PolarHBondContact N-OG1 3.12Å; T166-Y168 WeakPolarHBondContact CG2-O 3.46Å; T166-I173 HydrophobicContact CG2-CG1 4.41Å; T166-A174 HydrophobicContact CG2-CB 4.07Å; T166-V180 HydrophobicContact CG2-CG1 4Å; T166-L181 PolarHBondContact N-O 3.29Å; T166-Q182 VanDerWaalsContact O-CA 3.29Å; T166-Q182 WeakPolarHBondContact O-CA 3.35Å; T166-T183 VanDerWaalsContact C-OG1 3.3Å; T166-T183 PolarHBondContact O-N 3.41Å; T166-T183 PolarHBondContact O-OG1 2.83Å
167N93.4Very high96.9Very high12 Ų1244.3 Ų44.36%0.06421%0.213CC..SBendtrans-76.4-24.2-178.5-154.449.8000113.5L141 Q182 T183 A184 I185L141-N167 HydrophobicContact CD1-CB 4.41Å; L141-N167 WeakPolarHBondContact O-CB 3.44Å; L141-N167 PolarHBondContact O-N 3.03Å; N167-Q182 PolarHBondContact O-NE2 3.03Å; N167-T183 WeakPolarHBondContact CA-O 3.27Å; N167-T183 WeakPolarHBondContact CA-OG1 3.21Å; N167-T183 PolarHBondContact N-OG1 3.49Å; N167-T183 VanDerWaalsContact OD1-C 3.24Å; N167-T183 PolarHBondContact OD1-O 3.33Å; N167-T183 PolarHBondContact OD1-OG1 3.43Å; N167-A184 WeakPolarHBondContact OD1-CA 3.34Å; N167-A184 PolarHBondContact OD1-N 2.9Å; N167-I185 PolarHBondContact ND2-O 3.37Å; N167-I185 PolarHBondContact OD1-N 2.49Å
168Y92Very high96.9Very high95 Ų9541.5 Ų41.537%0.37321%0.205SC..  trans-125.5118.3-170.7-53.9-78.1000111.8T166 L170 S171T166-Y168 WeakPolarHBondContact CG2-O 3.46Å; Y168-L170 PolarHBondContact O-N 3.46Å; Y168-S171 VanDerWaalsContact O-CB 3.25Å; Y168-S171 WeakPolarHBondContact O-CB 3.21Å; Y168-S171 PolarHBondContact O-N 3.2Å; Y168-S171 PolarHBondContact O-OG 3.29Å
169Q91.8Very high96.9Very high98 Ų9839.3 Ų39.346%0.45819%0.193SC..THydrogen-bonded Turntrans-62.4-24.6-178.1-62.5-170.937.300114.1A174 Q182Q169-A174 WeakPolarHBondContact O-CB 3.43Å; Q169-Q182 HydrophobicContact CG-CB 4.44Å; Q169-Q182 HydrophobicContact CG-CG 4.43Å
170L91.7Very high96.9Very high101 Ų10133.6 Ų33.653%0.52917%0.168SC..THydrogen-bonded Turntrans-102.212.3178.6-58.8179.8000112.7Y168 Q175Y168-L170 PolarHBondContact O-N 3.46Å; L170-Q175 PolarHBondContact O-NE2 2.91Å
171S94.4Very high96.9Very high1 Ų133.8 Ų33.81%0.00717%0.169CC..SBendtrans-65.3156.2177.263.80000112.2G143 Y168 I173 A174 Q175G143-S171 WeakPolarHBondContact O-CB 3.36Å; Y168-S171 VanDerWaalsContact O-CB 3.25Å; Y168-S171 WeakPolarHBondContact O-CB 3.21Å; Y168-S171 PolarHBondContact O-N 3.2Å; Y168-S171 PolarHBondContact O-OG 3.29Å; S171-I173 VanDerWaalsContact C-N 3.29Å; S171-I173 PolarHBondContact O-N 3.41Å; S171-A174 WeakPolarHBondContact O-CB 3.41Å; S171-A174 PolarHBondContact O-N 2.69Å; S171-A174 WeakPolarHBondContact OG-CB 3.21Å; S171-A174 PolarHBondContact OG-N 3.32Å; S171-Q175 WeakPolarHBondContact O-CG 3.31Å; S171-Q175 PolarHBondContact O-N 3.48Å
172P97Very high96.8Very high30 Ų3031.6 Ų31.620%0.19516%0.159CC..Hα-helixtrans-48.6-44.2176.2-31.836.1000114.8G143 R144 H149 Q175G143-P172 VanDerWaalsContact O-CD 3.28Å; G143-P172 WeakPolarHBondContact O-CD 3.29Å; R144-P172 HydrophobicContact CG-CG 4.02Å; H149-P172 VanDerWaalsContact CD2-CB 3.47Å; H149-P172 WeakPolarHBondContact CD2-CB 3.39Å; P172-Q175 PolarHBondContact O-N 2.84Å
173I98Very high96.6Very high0 Ų031.6 Ų31.60%016%0.159CC..Hα-helixtrans-71.7-32.3178.171.1163.1000112.9G143 H149 L152 A164 T166 S171 Q175 L176 A177G143-I173 PolarHBondContact O-N 3.2Å; H149-I173 HydrophobicContact CB-CG2 3.84Å; L152-I173 HydrophobicContact CD1-CB 3.75Å; L152-I173 HydrophobicContact CD1-CG2 3.92Å; A164-I173 HydrophobicContact CB-CD1 4.18Å; A164-I173 HydrophobicContact CB-CG1 4.27Å; T166-I173 HydrophobicContact CG2-CG1 4.41Å; S171-I173 VanDerWaalsContact C-N 3.29Å; S171-I173 PolarHBondContact O-N 3.41Å; I173-Q175 VanDerWaalsContact C-N 3.29Å; I173-Q175 PolarHBondContact O-N 3.33Å; I173-L176 PolarHBondContact O-N 3.4Å; I173-A177 PolarHBondContact O-N 3.35Å
174A97.9Very high96.1Very high7 Ų731.9 Ų31.96%0.05816%0.162CC..Hα-helixtrans-66.2-34.2177.500000111.6T166 Q169 S171 L176 A177 V180T166-A174 HydrophobicContact CG2-CB 4.07Å; Q169-A174 WeakPolarHBondContact O-CB 3.43Å; S171-A174 WeakPolarHBondContact O-CB 3.41Å; S171-A174 PolarHBondContact O-N 2.69Å; S171-A174 WeakPolarHBondContact OG-CB 3.21Å; S171-A174 PolarHBondContact OG-N 3.32Å; A174-L176 PolarHBondContact O-N 2.87Å; A174-A177 PolarHBondContact O-N 2.85Å; A174-V180 HydrophobicContact CB-CG1 4.12Å; A174-V180 HydrophobicContact CB-CG2 3.79Å
175Q98.1Very high95.4Very high145 Ų14532.4 Ų32.468%0.67817%0.165SC*.Hα-helixtrans-69-20.7176-66.5178.324.900113.5L170 S171 P172 I173L170-Q175 PolarHBondContact O-NE2 2.91Å; S171-Q175 WeakPolarHBondContact O-CG 3.31Å; S171-Q175 PolarHBondContact O-N 3.48Å; P172-Q175 PolarHBondContact O-N 2.84Å; I173-Q175 VanDerWaalsContact C-N 3.29Å; I173-Q175 PolarHBondContact O-N 3.33Å
176L98.6Very high94.2Very high26 Ų2638 Ų3814%0.13620%0.195CC..Hα-helixtrans-86.4-21.7174.9-63.5171.5000112.4L152 N153 K156 I173 A174L152-L176 HydrophobicContact CB-CD1 3.98Å; N153-L176 HydrophobicContact CB-CD1 3.98Å; N153-L176 HydrophobicContact CB-CD2 4.43Å; K156-L176 WeakPolarHBondContact CD-O 3.43Å; K156-L176 PolarHBondContact NZ-O 2.78Å; I173-L176 PolarHBondContact O-N 3.4Å; A174-L176 PolarHBondContact O-N 2.87Å
177A98.6Very high92.7Very high18 Ų1840 Ų4015%0.14920%0.204CC..  trans-80.7147.1-171.500000113.1I162 A164 I173 A174 V179 V180I162-A177 HydrophobicContact CB-CB 4.5Å; I162-A177 HydrophobicContact CG2-CB 3.88Å; A164-A177 HydrophobicContact CB-CB 3.5Å; A164-A177 VanDerWaalsContact CB-CB 3.5Å; I173-A177 PolarHBondContact O-N 3.35Å; A174-A177 PolarHBondContact O-N 2.85Å; A177-V179 WeakPolarHBondContact CB-O 3.33Å; A177-V180 HydrophobicContact CB-CG2 4.04Å
178D98.7Very high91.2Very high83 Ų8344 Ų4444%0.44422%0.221SC..SBendtrans-79.9-33.2169.6-55.4-69.9000110.6M81 K156 K161 I162M81-D178 HydrophobicContact CE-CB 3.9Å; K156-D178 VanDerWaalsContact NZ-CG 3.33Å; K156-D178 IonicContact NZ-OD1 2.71Å; K156-D178 PolarHBondContact NZ-OD1 2.73Å; K156-D178 IonicContact NZ-OD2 3.21Å; K156-D178 PolarHBondContact NZ-OD2 2.96Å; K161-D178 WeakPolarHBondContact CA-OD2 3.37Å; I162-D178 PolarHBondContact N-OD2 2.96Å; I162-D178 PolarHBondContact O-N 3.07Å
179V98.6Very high89.6Confident7 Ų743.1 Ų43.14%0.04222%0.222CC..EExtended strand (participates in β ladder)trans-132.4136.9174.3176.50000110.4K74 Q77 A78 M81 I162 I163 A164 A177 L181K74-V179 HydrophobicContact CB-CG1 3.95Å; K74-V179 WeakPolarHBondContact O-CG1 3.5Å; Q77-V179 HydrophobicContact CB-CG2 3.68Å; A78-V179 HydrophobicContact CB-CG1 4.04Å; M81-V179 HydrophobicContact SD-CB 4.12Å; M81-V179 HydrophobicContact SD-CG2 3.49Å; M81-V179 WeakPolarHBondContact SD-CG2 3.36Å; I162-V179 PolarHBondContact O-N 2.88Å; I163-V179 CarbonylContact C-O 3.6Å; I163-V179 WeakPolarHBondContact CA-O 3.48Å; I163-V179 HydrophobicContact CG1-CB 4.35Å; A164-V179 PolarHBondContact N-O 3.39Å; A177-V179 WeakPolarHBondContact CB-O 3.33Å; V179-L181 HydrophobicContact CG1-CD2 4.21Å
180V98.4Very high88.1Confident20 Ų2040.8 Ų40.812%0.12121%0.213CC..EExtended strand (participates in β ladder)trans-118120.2176.8-1770000109.7K74 A164 T166 A174 A177K74-V180 VanDerWaalsContact CD-O 3.29Å; K74-V180 WeakPolarHBondContact CD-O 3.5Å; A164-V180 HydrophobicContact CB-CG2 4.5Å; A164-V180 WeakPolarHBondContact O-CA 3.43Å; T166-V180 HydrophobicContact CG2-CG1 4Å; A174-V180 HydrophobicContact CB-CG1 4.12Å; A174-V180 HydrophobicContact CB-CG2 3.79Å; A177-V180 HydrophobicContact CB-CG2 4.04Å
181L98.3Very high86.5Confident4 Ų438.5 Ų38.52%0.02121%0.214CC..EExtended strand (participates in β ladder)trans-100.9114.5170.1-54.7177.3000108.6K74 A78 I163 A164 I165 T166 V179 L203 L207K74-L181 HydrophobicContact CB-CD2 4.18Å; A78-L181 HydrophobicContact CB-CD1 4.23Å; A78-L181 HydrophobicContact CB-CD2 4.48Å; I163-L181 HydrophobicContact CG2-CD1 4.18Å; I163-L181 HydrophobicContact CG2-CG 4.3Å; A164-L181 PolarHBondContact O-N 2.89Å; I165-L181 WeakPolarHBondContact CA-O 3.1Å; I165-L181 HydrophobicContact CD1-CD1 4.34Å; I165-L181 HydrophobicContact CG1-CB 4.32Å; I165-L181 HydrophobicContact CG1-CD1 4.5Å; T166-L181 PolarHBondContact N-O 3.29Å; V179-L181 HydrophobicContact CG1-CD2 4.21Å; L181-L203 HydrophobicContact CB-CD1 4.1Å; L181-L207 HydrophobicContact CD1-CD1 3.53Å; L181-L207 HydrophobicContact CD1-CD2 3.77Å; L181-L207 HydrophobicContact CD1-CG 3.69Å
182Q96.3Very high85.3Confident16 Ų1641.4 Ų41.48%0.07524%0.238CC..EExtended strand (participates in β ladder)trans-90.2118.3-168.7179.2171.129.600111.6R69 T166 N167 Q169R69-Q182 HydrophobicContact CB-CB 4.3Å; R69-Q182 HydrophobicContact CB-CG 4.1Å; T166-Q182 VanDerWaalsContact O-CA 3.29Å; T166-Q182 WeakPolarHBondContact O-CA 3.35Å; N167-Q182 PolarHBondContact O-NE2 3.03Å; Q169-Q182 HydrophobicContact CG-CB 4.44Å; Q169-Q182 HydrophobicContact CG-CG 4.43Å
183T94.3Very high84.6Confident0 Ų040.1 Ų40.10%023%0.229CC..  trans-74.9160.6160.460.50000109.8L141 I165 T166 N167 Q200 L203L141-T183 HydrophobicContact CD1-CG2 4.4Å; L141-T183 WeakPolarHBondContact CD1-OG1 3.38Å; I165-T183 HydrophobicContact CG2-CG2 4.07Å; T166-T183 VanDerWaalsContact C-OG1 3.3Å; T166-T183 PolarHBondContact O-N 3.41Å; T166-T183 PolarHBondContact O-OG1 2.83Å; N167-T183 WeakPolarHBondContact CA-O 3.27Å; N167-T183 WeakPolarHBondContact CA-OG1 3.21Å; N167-T183 PolarHBondContact N-OG1 3.49Å; N167-T183 VanDerWaalsContact OD1-C 3.24Å; N167-T183 PolarHBondContact OD1-O 3.33Å; N167-T183 PolarHBondContact OD1-OG1 3.43Å; T183-Q200 HydrophobicContact CG2-CG 3.87Å; T183-L203 HydrophobicContact CG2-CD1 3.61Å
184A88.9Confident84.1Confident7 Ų744.2 Ų44.26%0.05825%0.251CS..  trans-139.695.2173.400000111.7T65 T66 R69 N167T65-A184 HydrophobicContact CG2-CB 3.5Å; T65-A184 VanDerWaalsContact CG2-CB 3.5Å; T66-A184 PolarHBondContact OG1-N 2.88Å; T66-A184 VanDerWaalsContact OG1-N 3.07Å; R69-A184 HydrophobicContact CG-CB 3.83Å; N167-A184 WeakPolarHBondContact OD1-CA 3.34Å; N167-A184 PolarHBondContact OD1-N 2.9Å
185I84.6Confident83.8Confident11 Ų1144.1 Ų44.16%0.05625%0.25CS..  trans-122144.1171.964.3141.3000111.2A62 L141 N167 E187A62-I185 HydrophobicContact CB-CG2 4.14Å; L141-I185 HydrophobicContact CD1-CD1 4.24Å; L141-I185 HydrophobicContact CD1-CG1 4.05Å; L141-I185 HydrophobicContact CD2-CD1 3.35Å; L141-I185 HydrophobicContact CD2-CG1 4.09Å; L141-I185 HydrophobicContact CG-CD1 3.85Å; L141-I185 HydrophobicContact CG-CG1 4.11Å; N167-I185 PolarHBondContact ND2-O 3.37Å; N167-I185 PolarHBondContact OD1-N 2.49Å; I185-E187 HydrophobicContact CD1-CB 4.42Å
186D72.5Confident83.5Confident118 Ų11837.2 Ų37.263%0.63122%0.218SC*.  trans-93.6-1.4-178.5-68.6-25.4000112.9K61 F188K61-D186 VanDerWaalsContact CE-OD2 3.29Å; K61-D186 WeakPolarHBondContact CE-OD2 3.4Å; K61-D186 IonicContact NZ-OD2 2.68Å; K61-D186 PolarHBondContact NZ-OD2 3.25Å; D186-F188 PolarHBondContact O-N 3.37Å
187E64.7Low83.3Confident41 Ų4139 Ų3919%0.19223%0.225CC..  trans-9490.5-167-64.2173.6168.900112.1T58 I185 D190 S193T58-E187 WeakPolarHBondContact CG2-OE1 3.48Å; I185-E187 HydrophobicContact CD1-CB 4.42Å; E187-D190 HydrophobicContact CB-CB 4.24Å; E187-S193 WeakPolarHBondContact OE2-CB 3.41Å; E187-S193 PolarHBondContact OE2-OG 2.95Å
188F61.7Low83.1Confident97 Ų9739.9 Ų39.943%0.42523%0.227SC..SBendtrans-71.6-36.3176.4-176.4-99.1000113.3K31 A35 D186K31-F188 HydrophobicContact CB-CD1 4.29Å; K31-F188 HydrophobicContact CB-CE1 3.81Å; K31-F188 HydrophobicContact CB-CZ 4.36Å; K31-F188 HydrophobicContact CD-CE1 4.27Å; K31-F188 HydrophobicContact CD-CE2 4.35Å; K31-F188 HydrophobicContact CD-CZ 4.04Å; A35-F188 HydrophobicContact CB-CB 4.48Å; A35-F188 HydrophobicContact CB-CD1 4.07Å; D186-F188 PolarHBondContact O-N 3.37Å
189L57.7Low82.9Confident76 Ų7635.9 Ų35.940%0.39821%0.205SC..SBendtrans-72.1-36.1-178.9-150.181.8000111.9A35 F39 G191A35-L189 HydrophobicContact CB-CB 3.91Å; A35-L189 HydrophobicContact CB-CD1 3.52Å; A35-L189 HydrophobicContact CB-CG 4.31Å; F39-L189 HydrophobicContact CB-CD2 3.84Å; F39-L189 HydrophobicContact CD1-CD2 4.4Å; F39-L189 HydrophobicContact CD2-CD2 4.42Å; F39-L189 HydrophobicContact CG-CD2 3.98Å; L189-G191 VanDerWaalsContact C-N 3.35Å; L189-G191 PolarHBondContact O-N 3.4Å
190D60.2Low82.8Confident49 Ų4935.7 Ų35.726%0.26220%0.204SC..  trans-97.757.8-174.1-159.72.3000110.2E187 A192 S193E187-D190 HydrophobicContact CB-CB 4.24Å; D190-A192 PolarHBondContact O-N 3.16Å; D190-S193 WeakPolarHBondContact O-CB 3.42Å; D190-S193 PolarHBondContact O-N 3.01Å; D190-S193 WeakPolarHBondContact OD1-CA 3.32Å; D190-S193 PolarHBondContact OD1-N 3.25Å; D190-S193 WeakPolarHBondContact OD2-CB 3.12Å
191G58.9Low82.7Confident52 Ų5236.8 Ų36.854%0.53621%0.209SC..THydrogen-bonded Turntrans-61.1-10.5-17700000114.8L189L189-G191 VanDerWaalsContact C-N 3.35Å; L189-G191 PolarHBondContact O-N 3.4Å
192A68.9Low82.7Confident63 Ų6339.5 Ų39.552%0.52122%0.219SC..THydrogen-bonded Turntrans-114.920.7173.400000112.4S95 D190S95-A192 WeakPolarHBondContact OG-CB 3.39Å; D190-A192 PolarHBondContact O-N 3.16Å
193S82.2Confident82.8Confident2 Ų238.8 Ų38.81%0.01422%0.216CC..  trans-62.1150.5-175.584.50000111.9E187 D190 A195 G196 K197E187-S193 WeakPolarHBondContact OE2-CB 3.41Å; E187-S193 PolarHBondContact OE2-OG 2.95Å; D190-S193 WeakPolarHBondContact O-CB 3.42Å; D190-S193 PolarHBondContact O-N 3.01Å; D190-S193 WeakPolarHBondContact OD1-CA 3.32Å; D190-S193 PolarHBondContact OD1-N 3.25Å; D190-S193 WeakPolarHBondContact OD2-CB 3.12Å; S193-A195 PolarHBondContact O-N 2.83Å; S193-A195 PolarHBondContact OG-N 3.13Å; S193-G196 WeakPolarHBondContact O-CA 3.19Å; S193-G196 PolarHBondContact O-N 3.33Å; S193-G196 VanDerWaalsContact O-N 3.13Å; S193-G196 PolarHBondContact OG-N 3.31Å; S193-K197 PolarHBondContact O-N 3.48Å
194L89Confident83Confident86 Ų8638.8 Ų38.845%0.4522%0.216SC..Hα-helixtrans-57.7-35.7170.6179.860.8000111.2I59 K197 I198I59-L194 HydrophobicContact CD1-CD2 3.98Å; L194-K197 PolarHBondContact O-N 3.01Å; L194-I198 HydrophobicContact CD1-CD1 3.99Å; L194-I198 HydrophobicContact CD1-CG1 4.09Å; L194-I198 HydrophobicContact CD2-CD1 4.35Å; L194-I198 HydrophobicContact CG-CD1 3.76Å; L194-I198 HydrophobicContact CG-CG1 4.28Å; L194-I198 WeakPolarHBondContact O-CB 3.27Å; L194-I198 VanDerWaalsContact O-CG1 3.26Å; L194-I198 WeakPolarHBondContact O-CG1 3.5Å; L194-I198 PolarHBondContact O-N 3.28Å
195A91.3Very high83.4Confident5 Ų540.8 Ų40.84%0.04123%0.226CC..Hα-helixtrans-64.5-42.1176.400000111.6T58 A62 S193 I198 S199T58-A195 HydrophobicContact CG2-CB 4.12Å; A62-A195 HydrophobicContact CB-CB 3.94Å; S193-A195 PolarHBondContact O-N 2.83Å; S193-A195 PolarHBondContact OG-N 3.13Å; A195-I198 PolarHBondContact O-N 2.86Å; A195-S199 WeakPolarHBondContact O-CB 3.27Å; A195-S199 PolarHBondContact O-N 3.43Å
196G92.2Very high84.1Confident1 Ų141.7 Ų41.71%0.0123%0.23CC..Hα-helixtrans-55.7-51.917000000112.1S193 I198 S199 Q200S193-G196 WeakPolarHBondContact O-CA 3.19Å; S193-G196 PolarHBondContact O-N 3.33Å; S193-G196 VanDerWaalsContact O-N 3.13Å; S193-G196 PolarHBondContact OG-N 3.31Å; G196-I198 PolarHBondContact O-N 2.82Å; G196-S199 PolarHBondContact O-N 3.33Å; G196-S199 PolarHBondContact O-OG 3.31Å; G196-Q200 PolarHBondContact O-N 3.15Å
197K93Very high85.3Confident63 Ų6336.1 Ų36.127%0.27420%0.201SC..Hα-helixtrans-60.2-46.5177.3179.4162-178.1165.90112.2D102 S193 L194 S199 Q200 L201D102-K197 WeakPolarHBondContact OD2-CE 3.39Å; D102-K197 IonicContact OD2-NZ 2.69Å; D102-K197 PolarHBondContact OD2-NZ 3.1Å; S193-K197 PolarHBondContact O-N 3.48Å; L194-K197 PolarHBondContact O-N 3.01Å; K197-S199 VanDerWaalsContact C-N 3.32Å; K197-S199 PolarHBondContact O-N 3.27Å; K197-Q200 PolarHBondContact O-N 2.97Å; K197-L201 HydrophobicContact CD-CD1 4.45Å; K197-L201 HydrophobicContact CG-CD1 3.88Å; K197-L201 HydrophobicContact CG-CG 4.18Å; K197-L201 WeakPolarHBondContact O-CG 3.22Å; K197-L201 PolarHBondContact O-N 3.1Å
198I94.3Very high86.9Confident36 Ų3634.3 Ų34.319%0.18519%0.192CC..Hα-helixtrans-61.5-40.7179.2-73172.7000111.2I59 L63 L194 A195 G196 Q200 L201 Y202I59-I198 HydrophobicContact CB-CD1 4.37Å; I59-I198 HydrophobicContact CD1-CD1 3.9Å; I59-I198 HydrophobicContact CG1-CD1 3.95Å; I59-I198 HydrophobicContact CG2-CD1 3.54Å; I59-I198 HydrophobicContact CG2-CG2 4.2Å; L63-I198 HydrophobicContact CD1-CG2 4.29Å; L63-I198 HydrophobicContact CD2-CG2 3.55Å; L63-I198 HydrophobicContact CG-CG2 3.85Å; L194-I198 HydrophobicContact CD1-CD1 3.99Å; L194-I198 HydrophobicContact CD1-CG1 4.09Å; L194-I198 HydrophobicContact CD2-CD1 4.35Å; L194-I198 HydrophobicContact CG-CD1 3.76Å; L194-I198 HydrophobicContact CG-CG1 4.28Å; L194-I198 WeakPolarHBondContact O-CB 3.27Å; L194-I198 VanDerWaalsContact O-CG1 3.26Å; L194-I198 WeakPolarHBondContact O-CG1 3.5Å; L194-I198 PolarHBondContact O-N 3.28Å; A195-I198 PolarHBondContact O-N 2.86Å; G196-I198 PolarHBondContact O-N 2.82Å; I198-Q200 VanDerWaalsContact C-N 3.32Å; I198-Q200 PolarHBondContact O-N 3.11Å; I198-L201 PolarHBondContact O-N 3.35Å; I198-Y202 VanDerWaalsContact O-CB 3.32Å; I198-Y202 WeakPolarHBondContact O-CB 3.39Å; I198-Y202 PolarHBondContact O-N 2.67Å
199S94.7Very high88.6Confident0 Ų033.9 Ų33.90%019%0.192CC..Hα-helixtrans-61.6-39.617772.20000112.6T66 A195 G196 K197 L203T66-S199 WeakPolarHBondContact OG1-CB 3.38Å; A195-S199 WeakPolarHBondContact O-CB 3.27Å; A195-S199 PolarHBondContact O-N 3.43Å; G196-S199 PolarHBondContact O-N 3.33Å; G196-S199 PolarHBondContact O-OG 3.31Å; K197-S199 VanDerWaalsContact C-N 3.32Å; K197-S199 PolarHBondContact O-N 3.27Å; S199-L203 PolarHBondContact O-N 3.02Å
200Q96.1Very high90.5Very high3 Ų331.5 Ų31.51%0.01418%0.181CC..Hα-helixtrans-69.7-45.7175.5-68.8-177.9-3700111.5S96 T99 F139 L141 I165 T183 G196 K197 I198 Y202 L203 C204S96-Q200 PolarHBondContact OG-NE2 2.97Å; S96-Q200 VanDerWaalsContact OG-NE2 3.11Å; T99-Q200 HydrophobicContact CG2-CB 3.64Å; T99-Q200 PolarHBondContact OG1-OE1 2.93Å; F139-Q200 HydrophobicContact CD1-CB 4.36Å; F139-Q200 HydrophobicContact CD1-CG 4.29Å; F139-Q200 HydrophobicContact CE1-CB 4.18Å; L141-Q200 HydrophobicContact CD1-CG 4.31Å; I165-Q200 HydrophobicContact CG2-CG 4.42Å; T183-Q200 HydrophobicContact CG2-CG 3.87Å; G196-Q200 PolarHBondContact O-N 3.15Å; K197-Q200 PolarHBondContact O-N 2.97Å; I198-Q200 VanDerWaalsContact C-N 3.32Å; I198-Q200 PolarHBondContact O-N 3.11Å; Q200-Y202 VanDerWaalsContact C-N 3.27Å; Q200-Y202 PolarHBondContact O-N 3.32Å; Q200-L203 PolarHBondContact O-N 3.17Å; Q200-C204 PolarHBondContact O-N 3.37Å; Q200-C204 PolarHBondContact O-SG 3.39Å
201L97.3Very high92.3Very high42 Ų4230.8 Ų30.822%0.2218%0.175CC..Hα-helixtrans-61-36.9177.6-73.1175.6000112.2T99 D102 M106 K197 I198 C204 D205T99-L201 HydrophobicContact CG2-CD2 3.86Å; T99-L201 HydrophobicContact CG2-CG 4.18Å; D102-L201 HydrophobicContact CB-CD2 3.52Å; M106-L201 HydrophobicContact CE-CD2 3.76Å; K197-L201 HydrophobicContact CD-CD1 4.45Å; K197-L201 HydrophobicContact CG-CD1 3.88Å; K197-L201 HydrophobicContact CG-CG 4.18Å; K197-L201 WeakPolarHBondContact O-CG 3.22Å; K197-L201 PolarHBondContact O-N 3.1Å; I198-L201 PolarHBondContact O-N 3.35Å; L201-C204 WeakPolarHBondContact O-CB 3.49Å; L201-C204 PolarHBondContact O-N 3.39Å; L201-D205 WeakPolarHBondContact O-CB 3.03Å; L201-D205 PolarHBondContact O-N 2.69Å
202Y97.6Very high94.1Very high61 Ų6130.7 Ų30.724%0.23916%0.161CC..Hα-helixtrans-60.8-45.1175.3178.7-124.5000111.5L63 T66 N67 I198 Q200 C204 D205 L206L63-Y202 HydrophobicContact CD2-CD1 4.16Å; L63-Y202 HydrophobicContact CD2-CD2 4.15Å; L63-Y202 HydrophobicContact CD2-CG 3.74Å; T66-Y202 HydrophobicContact CG2-CD1 3.99Å; N67-Y202 HydrophobicContact CB-CE1 3.99Å; N67-Y202 PolarHBondContact OD1-OH 2.86Å; I198-Y202 VanDerWaalsContact O-CB 3.32Å; I198-Y202 WeakPolarHBondContact O-CB 3.39Å; I198-Y202 PolarHBondContact O-N 2.67Å; Q200-Y202 VanDerWaalsContact C-N 3.27Å; Q200-Y202 PolarHBondContact O-N 3.32Å; Y202-C204 VanDerWaalsContact C-N 3.34Å; Y202-C204 PolarHBondContact O-N 2.91Å; Y202-D205 PolarHBondContact O-N 2.97Å; Y202-L206 HydrophobicContact CD1-CD1 4.34Å; Y202-L206 HydrophobicContact CD2-CG 4.41Å; Y202-L206 HydrophobicContact CE1-CD1 3.85Å; Y202-L206 HydrophobicContact CE2-CD1 4.14Å; Y202-L206 HydrophobicContact CE2-CD2 4.12Å; Y202-L206 HydrophobicContact CE2-CG 4.06Å; Y202-L206 WeakPolarHBondContact O-CG 3.36Å; Y202-L206 PolarHBondContact O-N 3.35Å
203L98.1Very high95.4Very high1 Ų133.5 Ų33.51%0.00517%0.166CC..Hα-helixtrans-66.1-35174.4-65.5178.6000112.8T66 L70 I165 L181 T183 S199 Q200 D205 L206 L207T66-L203 HydrophobicContact CG2-CD1 4.33Å; T66-L203 HydrophobicContact CG2-CD2 3.97Å; T66-L203 HydrophobicContact CG2-CG 4.01Å; L70-L203 HydrophobicContact CD1-CD2 3.77Å; I165-L203 HydrophobicContact CG2-CD1 3.91Å; L181-L203 HydrophobicContact CB-CD1 4.1Å; T183-L203 HydrophobicContact CG2-CD1 3.61Å; S199-L203 PolarHBondContact O-N 3.02Å; Q200-L203 PolarHBondContact O-N 3.17Å; L203-D205 VanDerWaalsContact C-N 3.34Å; L203-L206 HydrophobicContact CD2-CD1 4.44Å; L203-L206 PolarHBondContact O-N 3Å; L203-L207 WeakPolarHBondContact O-CB 3.2Å; L203-L207 WeakPolarHBondContact O-CG 3.38Å; L203-L207 PolarHBondContact O-N 3.45Å
204C98.5Very high96.1Very high0 Ų037.1 Ų37.10%018%0.182CC..Hα-helixtrans-61.7-45173.7-62.60000111.2L103 M106 F139 Q200 L201 Y202 L207 V208L103-C204 HydrophobicContact CB-CB 4.33Å; L103-C204 HydrophobicContact CD1-CB 3.83Å; M106-C204 HydrophobicContact SD-CB 4.01Å; F139-C204 VanDerWaalsContact CZ-SG 3.55Å; Q200-C204 PolarHBondContact O-N 3.37Å; Q200-C204 PolarHBondContact O-SG 3.39Å; L201-C204 WeakPolarHBondContact O-CB 3.49Å; L201-C204 PolarHBondContact O-N 3.39Å; Y202-C204 VanDerWaalsContact C-N 3.34Å; Y202-C204 PolarHBondContact O-N 2.91Å; C204-L207 WeakPolarHBondContact O-CB 3.26Å; C204-L207 PolarHBondContact O-N 2.92Å; C204-V208 VanDerWaalsContact O-CG2 3.27Å; C204-V208 WeakPolarHBondContact O-CG2 3.43Å; C204-V208 PolarHBondContact O-N 3.22Å
205D98.2Very high96.5Very high50 Ų5035.5 Ų35.527%0.26717%0.174SC..Hα-helixtrans-64.8-44.2179.1-173.164.3000111.4R109 L201 Y202 L203 L207 V208 Q209R109-D205 IonicContact NH2-OD1 3.37Å; L201-D205 WeakPolarHBondContact O-CB 3.03Å; L201-D205 PolarHBondContact O-N 2.69Å; Y202-D205 PolarHBondContact O-N 2.97Å; L203-D205 VanDerWaalsContact C-N 3.34Å; D205-L207 PolarHBondContact O-N 3.24Å; D205-V208 PolarHBondContact O-N 3.42Å; D205-Q209 WeakPolarHBondContact O-CB 3.12Å; D205-Q209 WeakPolarHBondContact O-CG 3.44Å; D205-Q209 PolarHBondContact O-N 3.27Å; D205-Q209 PolarHBondContact OD2-NE2 2.92Å
206L98.1Very high96.7Very high29 Ų2942.1 Ų42.115%0.15221%0.209CC..Hα-helixtrans-61-42.8173.7-67.3180000112.4L70 L75 Y202 L203 V208 Q209 S210L70-L206 HydrophobicContact CD1-CD1 4.2Å; L70-L206 HydrophobicContact CD2-CD1 3.56Å; L75-L206 HydrophobicContact CD2-CB 4.37Å; Y202-L206 HydrophobicContact CD1-CD1 4.34Å; Y202-L206 HydrophobicContact CD2-CG 4.41Å; Y202-L206 HydrophobicContact CE1-CD1 3.85Å; Y202-L206 HydrophobicContact CE2-CD1 4.14Å; Y202-L206 HydrophobicContact CE2-CD2 4.12Å; Y202-L206 HydrophobicContact CE2-CG 4.06Å; Y202-L206 WeakPolarHBondContact O-CG 3.36Å; Y202-L206 PolarHBondContact O-N 3.35Å; L203-L206 HydrophobicContact CD2-CD1 4.44Å; L203-L206 PolarHBondContact O-N 3Å; L206-V208 VanDerWaalsContact C-N 3.34Å; L206-V208 PolarHBondContact O-N 3.46Å; L206-Q209 PolarHBondContact O-N 2.86Å; L206-S210 VanDerWaalsContact O-CB 3.26Å; L206-S210 WeakPolarHBondContact O-CB 3.43Å; L206-S210 PolarHBondContact O-N 2.9Å; L206-S210 PolarHBondContact O-OG 3.42Å; L206-S210 VanDerWaalsContact O-OG 3.08Å
207L98.4Very high96.7Very high1 Ų143.4 Ų43.41%0.00522%0.217CC..Hα-helixtrans-57.4-47.5175.2-88169.8000111.9L75 A78 V79 I82 I165 L181 L203 C204 D205 Y211L75-L207 HydrophobicContact CD1-CD2 3.76Å; L75-L207 HydrophobicContact CD1-CG 3.97Å; A78-L207 HydrophobicContact CB-CD2 3.68Å; V79-L207 HydrophobicContact CG2-CD2 4.36Å; I82-L207 HydrophobicContact CD1-CD2 4.1Å; I165-L207 HydrophobicContact CD1-CD1 3.96Å; L181-L207 HydrophobicContact CD1-CD1 3.53Å; L181-L207 HydrophobicContact CD1-CD2 3.77Å; L181-L207 HydrophobicContact CD1-CG 3.69Å; L203-L207 WeakPolarHBondContact O-CB 3.2Å; L203-L207 WeakPolarHBondContact O-CG 3.38Å; L203-L207 PolarHBondContact O-N 3.45Å; C204-L207 WeakPolarHBondContact O-CB 3.26Å; C204-L207 PolarHBondContact O-N 2.92Å; D205-L207 PolarHBondContact O-N 3.24Å; L207-Y211 WeakPolarHBondContact O-CB 3.46Å; L207-Y211 PolarHBondContact O-N 3.13Å
208V98.1Very high96.7Very high3 Ų344.5 Ų44.52%0.01823%0.226CC..Hα-helixtrans-69.1-43.2-177.6171.70000111.1L103 M106 L107 V110 C204 D205 L206 Y211 E212L103-V208 HydrophobicContact CD1-CG2 3.99Å; M106-V208 HydrophobicContact CB-CG2 3.84Å; L107-V208 HydrophobicContact CD2-CG2 4Å; L107-V208 HydrophobicContact CG-CG2 4.26Å; V110-V208 HydrophobicContact CG1-CG1 3.71Å; V110-V208 HydrophobicContact CG2-CG1 4.03Å; C204-V208 VanDerWaalsContact O-CG2 3.27Å; C204-V208 WeakPolarHBondContact O-CG2 3.43Å; C204-V208 PolarHBondContact O-N 3.22Å; D205-V208 PolarHBondContact O-N 3.42Å; L206-V208 VanDerWaalsContact C-N 3.34Å; L206-V208 PolarHBondContact O-N 3.46Å; V208-Y211 PolarHBondContact O-N 3.3Å; V208-E212 PolarHBondContact O-N 3.3Å
209Q97.2Very high96.3Very high89 Ų8943.3 Ų43.342%0.41622%0.22SC..Hα-helixtrans-65.3-42.1176.1-73.2-168.866.100111.9D205 L206 Y211 E212 I213D205-Q209 WeakPolarHBondContact O-CB 3.12Å; D205-Q209 WeakPolarHBondContact O-CG 3.44Å; D205-Q209 PolarHBondContact O-N 3.27Å; D205-Q209 PolarHBondContact OD2-NE2 2.92Å; L206-Q209 PolarHBondContact O-N 2.86Å; Q209-Y211 VanDerWaalsContact C-N 3.34Å; Q209-E212 WeakPolarHBondContact O-CB 3.28Å; Q209-E212 PolarHBondContact O-N 3.32Å; Q209-I213 VanDerWaalsContact O-CG1 3.31Å; Q209-I213 WeakPolarHBondContact O-CG1 3.36Å; Q209-I213 PolarHBondContact O-N 2.93Å
210S97.9Very high96Very high25 Ų2549.2 Ų49.218%0.17525%0.25CS..Hα-helixtrans-64.7-39.7175.3-68.10000111.6L75 L206 I213 E214L75-S210 WeakPolarHBondContact CD2-OG 3.23Å; L206-S210 VanDerWaalsContact O-CB 3.26Å; L206-S210 WeakPolarHBondContact O-CB 3.43Å; L206-S210 PolarHBondContact O-N 2.9Å; L206-S210 PolarHBondContact O-OG 3.42Å; L206-S210 VanDerWaalsContact O-OG 3.08Å; S210-I213 PolarHBondContact O-N 2.93Å; S210-E214 WeakPolarHBondContact O-CB 3.22Å; S210-E214 WeakPolarHBondContact O-CG 3.29Å; S210-E214 PolarHBondContact O-N 3.1Å
211Y98.4Very high95.7Very high35 Ų3554.6 Ų54.614%0.13728%0.275CS..Hα-helixtrans-60.3-46172.7-179.8-84.1000112.3V79 I82 T83 V110 V112 L207 V208 Q209 I213 E214 N215 V217V79-Y211 HydrophobicContact CG1-CD2 4.16Å; I82-Y211 HydrophobicContact CB-CD2 4.28Å; I82-Y211 HydrophobicContact CG2-CD2 3.62Å; I82-Y211 HydrophobicContact CG2-CE2 3.72Å; T83-Y211 WeakPolarHBondContact OG1-CE2 3.48Å; V110-Y211 HydrophobicContact CB-CD1 3.95Å; V110-Y211 HydrophobicContact CB-CE1 4.24Å; V110-Y211 HydrophobicContact CG2-CD1 3.67Å; V110-Y211 HydrophobicContact CG2-CE1 4.07Å; V112-Y211 HydrophobicContact CG2-CD1 3.98Å; V112-Y211 HydrophobicContact CG2-CD2 4.4Å; V112-Y211 HydrophobicContact CG2-CE1 3.32Å; V112-Y211 HydrophobicContact CG2-CE2 3.81Å; V112-Y211 HydrophobicContact CG2-CG 4.49Å; V112-Y211 WeakPolarHBondContact CG2-OH 3.29Å; L207-Y211 WeakPolarHBondContact O-CB 3.46Å; L207-Y211 PolarHBondContact O-N 3.13Å; V208-Y211 PolarHBondContact O-N 3.3Å; Q209-Y211 VanDerWaalsContact C-N 3.34Å; Y211-I213 VanDerWaalsContact C-N 3.33Å; Y211-I213 PolarHBondContact O-N 3.35Å; Y211-E214 PolarHBondContact O-N 3.39Å; Y211-N215 WeakPolarHBondContact CD2-ND2 3.45Å; Y211-N215 HydrophobicContact CE1-CB 4.3Å; Y211-N215 VanDerWaalsContact CE2-ND2 3.3Å; Y211-N215 WeakPolarHBondContact CE2-ND2 3.5Å; Y211-N215 WeakPolarHBondContact O-CB 3.13Å; Y211-N215 PolarHBondContact O-N 2.98Å; Y211-N215 PolarHBondContact O-ND2 3.36Å; Y211-V217 HydrophobicContact CD1-CG2 4.07Å; Y211-V217 HydrophobicContact CE1-CG2 3.77Å
212E97.1Very high95.3Very high49 Ų4955.3 Ų55.323%0.22928%0.279CS..Hα-helixtrans-55-48.2176.8173.9170.1-170.800111.6V110 V208 Q209 N216 V217 T219V110-E212 HydrophobicContact CG1-CB 3.93Å; V208-E212 PolarHBondContact O-N 3.3Å; Q209-E212 WeakPolarHBondContact O-CB 3.28Å; Q209-E212 PolarHBondContact O-N 3.32Å; E212-N216 PolarHBondContact O-N 3.2Å; E212-V217 HydrophobicContact CG-CB 4.35Å; E212-V217 PolarHBondContact O-N 2.86Å; E212-T219 HydrophobicContact CG-CG2 3.73Å; E212-T219 WeakPolarHBondContact OE1-CB 3.29Å; E212-T219 WeakPolarHBondContact OE1-CG2 3.15Å; E212-T219 PolarHBondContact OE1-OG1 3.34Å
213I96.4Very high94.7Very high122 Ų12257.8 Ų57.863%0.62629%0.288SS*.Hα-helixtrans-68-50.4-178.9-65.5165.1000111.2Q209 S210 Y211 N215 N216Q209-I213 VanDerWaalsContact O-CG1 3.31Å; Q209-I213 WeakPolarHBondContact O-CG1 3.36Å; Q209-I213 PolarHBondContact O-N 2.93Å; S210-I213 PolarHBondContact O-N 2.93Å; Y211-I213 VanDerWaalsContact C-N 3.33Å; Y211-I213 PolarHBondContact O-N 3.35Å; I213-N215 VanDerWaalsContact C-N 3.33Å; I213-N215 PolarHBondContact O-N 3.02Å; I213-N216 PolarHBondContact O-N 3Å
214E96.5Very high94.2Very high78 Ų7862 Ų6236%0.36431%0.308SS..Hα-helixtrans-69-31-173.9-69.7-168.116800113K76 V79 S210 Y211K76-E214 VanDerWaalsContact CG-OE1 3.29Å; K76-E214 WeakPolarHBondContact CG-OE1 3.26Å; V79-E214 HydrophobicContact CG1-CB 4.14Å; V79-E214 HydrophobicContact CG1-CG 4.48Å; V79-E214 WeakPolarHBondContact CG1-OE2 3.38Å; S210-E214 WeakPolarHBondContact O-CB 3.22Å; S210-E214 WeakPolarHBondContact O-CG 3.29Å; S210-E214 PolarHBondContact O-N 3.1Å; Y211-E214 PolarHBondContact O-N 3.39Å
215N96.8Very high93.8Very high52 Ų5265.9 Ų65.928%0.27833%0.331SS..THydrogen-bonded Turntrans-96.45.3179-62.3-87.3000113.1T83 Y211 I213 V217T83-N215 WeakPolarHBondContact CG2-OD1 3.39Å; T83-N215 PolarHBondContact OG1-ND2 3.42Å; T83-N215 PolarHBondContact OG1-OD1 3.19Å; Y211-N215 WeakPolarHBondContact CD2-ND2 3.45Å; Y211-N215 HydrophobicContact CE1-CB 4.3Å; Y211-N215 VanDerWaalsContact CE2-ND2 3.3Å; Y211-N215 WeakPolarHBondContact CE2-ND2 3.5Å; Y211-N215 WeakPolarHBondContact O-CB 3.13Å; Y211-N215 PolarHBondContact O-N 2.98Å; Y211-N215 PolarHBondContact O-ND2 3.36Å; I213-N215 VanDerWaalsContact C-N 3.33Å; I213-N215 PolarHBondContact O-N 3.02Å; N215-V217 HydrophobicContact CB-CG2 3.86Å; N215-V217 PolarHBondContact O-N 3.14Å
216N94.9Very high93.2Very high144 Ų14467.1 Ų67.177%0.7734%0.341SS*.THydrogen-bonded Turntrans48.944.8-177.8-59.5-80.7000112.5E212 I213 N218E212-N216 PolarHBondContact O-N 3.2Å; I213-N216 PolarHBondContact O-N 3Å; N216-N218 PolarHBondContact O-N 3.31Å
217V93.1Very high92.5Very high29 Ų2970.4 Ų70.418%0.17636%0.358CS..  trans-67.4125.7-173.1-178.10000110V110 Y211 E212 N215 T219 L222V110-V217 HydrophobicContact CB-CG1 4.35Å; Y211-V217 HydrophobicContact CD1-CG2 4.07Å; Y211-V217 HydrophobicContact CE1-CG2 3.77Å; E212-V217 HydrophobicContact CG-CB 4.35Å; E212-V217 PolarHBondContact O-N 2.86Å; N215-V217 HydrophobicContact CB-CG2 3.86Å; N215-V217 PolarHBondContact O-N 3.14Å; V217-T219 VanDerWaalsContact C-N 3.25Å; V217-T219 HydrophobicContact CB-CG2 4.13Å; V217-T219 HydrophobicContact CG1-CG2 3.72Å; V217-T219 PolarHBondContact O-N 3.15Å; V217-L222 HydrophobicContact CG1-CD1 3.43Å; V217-L222 VanDerWaalsContact CG1-CD1 3.43Å
218N91.9Very high92Very high86 Ų8677.9 Ų77.946%0.4639%0.386SS..  trans-75.578.1171.4-172-1.9000110.6N216 I220 E221 L222N216-N218 PolarHBondContact O-N 3.31Å; N218-I220 PolarHBondContact O-N 2.99Å; N218-E221 HydrophobicContact CB-CB 4.33Å; N218-E221 WeakPolarHBondContact ND2-CB 3.42Å; N218-E221 PolarHBondContact ND2-OE2 3.38Å; N218-E221 PolarHBondContact O-N 3.03Å; N218-E221 PolarHBondContact OD1-N 3.18Å; N218-L222 PolarHBondContact O-N 3.31Å
219T86.4Confident91.5Very high10 Ų1081.7 Ų81.76%0.06141%0.413CS..Hα-helixtrans-69.4-19.2-175.556.40000113.7V110 E212 V217 R223V110-T219 HydrophobicContact CG1-CG2 4.08Å; E212-T219 HydrophobicContact CG-CG2 3.73Å; E212-T219 WeakPolarHBondContact OE1-CB 3.29Å; E212-T219 WeakPolarHBondContact OE1-CG2 3.15Å; E212-T219 PolarHBondContact OE1-OG1 3.34Å; V217-T219 VanDerWaalsContact C-N 3.25Å; V217-T219 HydrophobicContact CB-CG2 4.13Å; V217-T219 HydrophobicContact CG1-CG2 3.72Å; V217-T219 PolarHBondContact O-N 3.15Å; T219-R223 VanDerWaalsContact CB-NH1 3.25Å; T219-R223 VanDerWaalsContact O-CB 3.22Å; T219-R223 WeakPolarHBondContact O-CB 3.47Å; T219-R223 WeakPolarHBondContact O-CG 3.4Å; T219-R223 PolarHBondContact O-N 3.15Å; T219-R223 PolarHBondContact OG1-NH1 3.46Å
220I88.3Confident90.9Very high125 Ų12581.1 Ų81.164%0.64141%0.412SS*.Hα-helixtrans-66.5-50.1174-64.1175.6000109.9N218 L222 R223 E224N218-I220 PolarHBondContact O-N 2.99Å; I220-L222 PolarHBondContact O-N 3.19Å; I220-R223 PolarHBondContact O-N 3.35Å; I220-E224 WeakPolarHBondContact O-CB 3.44Å; I220-E224 PolarHBondContact O-N 3.08Å
221E90.5Very high90.1Very high116 Ų11685 Ų8554%0.54243%0.43SS..Hα-helixtrans-64.5-40.4179.6-178.2176.6-172.800112N218 E224 T225N218-E221 HydrophobicContact CB-CB 4.33Å; N218-E221 WeakPolarHBondContact ND2-CB 3.42Å; N218-E221 PolarHBondContact ND2-OE2 3.38Å; N218-E221 PolarHBondContact O-N 3.03Å; N218-E221 PolarHBondContact OD1-N 3.18Å; E221-E224 PolarHBondContact O-N 2.9Å; E221-T225 WeakPolarHBondContact O-CB 3.34Å; E221-T225 PolarHBondContact O-N 2.68Å; E221-T225 PolarHBondContact O-OG1 3.43Å
222L89.2Confident89.3Confident56 Ų5690.8 Ų90.829%0.29346%0.463SS..Hα-helixtrans-63.5-46.1174.1-71.4175.7000111.8V217 N218 I220 E224 T225 V226V217-L222 HydrophobicContact CG1-CD1 3.43Å; V217-L222 VanDerWaalsContact CG1-CD1 3.43Å; N218-L222 PolarHBondContact O-N 3.31Å; I220-L222 PolarHBondContact O-N 3.19Å; L222-E224 VanDerWaalsContact C-N 3.31Å; L222-E224 PolarHBondContact O-N 2.94Å; L222-T225 PolarHBondContact O-N 3.31Å; L222-V226 WeakPolarHBondContact O-CG2 3.38Å; L222-V226 PolarHBondContact O-N 2.87Å
223R84.3Confident88.5Confident114 Ų11496.1 Ų96.143%0.4349%0.486SS..Hα-helixtrans-61.3-41.7176.8-77176.2-171.1112.44.4111.1T219 I220 V226 L227T219-R223 VanDerWaalsContact CB-NH1 3.25Å; T219-R223 VanDerWaalsContact O-CB 3.22Å; T219-R223 WeakPolarHBondContact O-CB 3.47Å; T219-R223 WeakPolarHBondContact O-CG 3.4Å; T219-R223 PolarHBondContact O-N 3.15Å; T219-R223 PolarHBondContact OG1-NH1 3.46Å; I220-R223 PolarHBondContact O-N 3.35Å; R223-V226 PolarHBondContact O-N 3.36Å; R223-L227 VanDerWaalsContact O-CB 3.26Å; R223-L227 WeakPolarHBondContact O-CB 3.45Å; R223-L227 WeakPolarHBondContact O-CG 3.28Å; R223-L227 PolarHBondContact O-N 3.33Å
224E88.7Confident87.5Confident90 Ų9094.5 Ų94.542%0.42149%0.485SS..Hα-helixtrans-60-48.2175-175.9180166.500111.3I220 E221 L222 V226 L227 R228I220-E224 WeakPolarHBondContact O-CB 3.44Å; I220-E224 PolarHBondContact O-N 3.08Å; E221-E224 PolarHBondContact O-N 2.9Å; L222-E224 VanDerWaalsContact C-N 3.31Å; L222-E224 PolarHBondContact O-N 2.94Å; E224-V226 VanDerWaalsContact C-N 3.35Å; E224-V226 PolarHBondContact O-N 2.91Å; E224-L227 PolarHBondContact O-N 3.05Å; E224-R228 HydrophobicContact CG-CG 4.44Å; E224-R228 WeakPolarHBondContact O-CB 3.43Å; E224-R228 VanDerWaalsContact O-CG 3.3Å; E224-R228 WeakPolarHBondContact O-CG 3.22Å; E224-R228 PolarHBondContact O-N 2.97Å; E224-R228 IonicContact OE1-CZ 3.5Å; E224-R228 IonicContact OE1-NE 2.66Å; E224-R228 PolarHBondContact OE1-NE 3.5Å; E224-R228 IonicContact OE1-NH2 3.93Å; E224-R228 PolarHBondContact OE1-NH2 2.84Å
225T88.6Confident86.5Confident80 Ų8099 Ų9949%0.49151%0.511SS..Hα-helixtrans-59.4-45.4179-59.20000111.8E221 L222 S229E221-T225 WeakPolarHBondContact O-CB 3.34Å; E221-T225 PolarHBondContact O-N 2.68Å; E221-T225 PolarHBondContact O-OG1 3.43Å; L222-T225 PolarHBondContact O-N 3.31Å; T225-S229 PolarHBondContact O-N 3.22Å; T225-S229 VanDerWaalsContact O-N 3.14Å; T225-S229 PolarHBondContact O-OG 3.35Å
226V86Confident85.6Confident77 Ų77107.8 Ų107.847%0.46756%0.558SS.*Hα-helixtrans-65.7-46.7177.5172.40000110.9L222 R223 E224 R228 S229 I230L222-V226 WeakPolarHBondContact O-CG2 3.38Å; L222-V226 PolarHBondContact O-N 2.87Å; R223-V226 PolarHBondContact O-N 3.36Å; E224-V226 VanDerWaalsContact C-N 3.35Å; E224-V226 PolarHBondContact O-N 2.91Å; V226-R228 PolarHBondContact O-N 3.41Å; V226-S229 WeakPolarHBondContact O-CB 3.31Å; V226-S229 PolarHBondContact O-N 3.38Å; V226-I230 PolarHBondContact O-N 2.61Å
227L84.5Confident85.2Confident98 Ų98106 Ų10651%0.51355%0.547SS..Hα-helixtrans-57.3-49.7177.9-77.7170.1000110.7R223 E224 S229 I230 L231R223-L227 VanDerWaalsContact O-CB 3.26Å; R223-L227 WeakPolarHBondContact O-CB 3.45Å; R223-L227 WeakPolarHBondContact O-CG 3.28Å; R223-L227 PolarHBondContact O-N 3.33Å; E224-L227 PolarHBondContact O-N 3.05Å; L227-S229 PolarHBondContact O-N 2.81Å; L227-I230 HydrophobicContact CD2-CD1 4.49Å; L227-I230 WeakPolarHBondContact O-CG1 3.29Å; L227-I230 PolarHBondContact O-N 3.47Å; L227-L231 WeakPolarHBondContact O-CG 3.2Å; L227-L231 PolarHBondContact O-N 3.47Å
228R87.5Confident84.7Confident157 Ų157110 Ų11059%0.59257%0.567SS**Hα-helixtrans-55.9-34.6175.8-72.3179.1-177.3-72.4-0.1112.8E224 V226 I230E224-R228 HydrophobicContact CG-CG 4.44Å; E224-R228 WeakPolarHBondContact O-CB 3.43Å; E224-R228 VanDerWaalsContact O-CG 3.3Å; E224-R228 WeakPolarHBondContact O-CG 3.22Å; E224-R228 PolarHBondContact O-N 2.97Å; E224-R228 IonicContact OE1-CZ 3.5Å; E224-R228 IonicContact OE1-NE 2.66Å; E224-R228 PolarHBondContact OE1-NE 3.5Å; E224-R228 IonicContact OE1-NH2 3.93Å; E224-R228 PolarHBondContact OE1-NH2 2.84Å; V226-R228 PolarHBondContact O-N 3.41Å; R228-I230 VanDerWaalsContact C-N 3.28Å; R228-I230 PolarHBondContact O-N 3.37Å
229S86.2Confident84.3Confident84 Ų84111.3 Ų111.359%0.58757%0.573SS**Hα-helixtrans-75.8-12.5179-55.60000114.3T225 V226 L227T225-S229 PolarHBondContact O-N 3.22Å; T225-S229 VanDerWaalsContact O-N 3.14Å; T225-S229 PolarHBondContact O-OG 3.35Å; V226-S229 WeakPolarHBondContact O-CB 3.31Å; V226-S229 PolarHBondContact O-N 3.38Å; L227-S229 PolarHBondContact O-N 2.81Å
230I84.9Confident84.2Confident76 Ų76117.3 Ų117.339%0.3960%0.603SS.*Hα-helixtrans-119.6-8.5-179.867.2174.5000114V226 L227 R228 D232 K233V226-I230 PolarHBondContact O-N 2.61Å; L227-I230 HydrophobicContact CD2-CD1 4.49Å; L227-I230 WeakPolarHBondContact O-CG1 3.29Å; L227-I230 PolarHBondContact O-N 3.47Å; R228-I230 VanDerWaalsContact C-N 3.28Å; R228-I230 PolarHBondContact O-N 3.37Å; I230-D232 PolarHBondContact O-N 3.4Å; I230-K233 HydrophobicContact CB-CD 4.12Å; I230-K233 HydrophobicContact CG2-CD 4.1Å; I230-K233 VanDerWaalsContact O-CB 3.27Å; I230-K233 WeakPolarHBondContact O-CB 3.39Å; I230-K233 PolarHBondContact O-N 3.32Å
231L82Confident84Confident106 Ų106116.8 Ų116.856%0.55560%0.6SS**Hα-helixtrans-55.8-39.8176.7-81.8172.3000111.7L227 K233 S234L227-L231 WeakPolarHBondContact O-CG 3.2Å; L227-L231 PolarHBondContact O-N 3.47Å; L231-K233 PolarHBondContact O-N 3.22Å; L231-K233 VanDerWaalsContact O-N 3.15Å; L231-S234 PolarHBondContact O-N 2.98Å; L231-S234 PolarHBondContact O-OG 3.06Å; L231-S234 VanDerWaalsContact O-OG 3.08Å
232D81.1Confident83.5Confident157 Ų157116.9 Ų116.984%0.8460%0.604SS**THydrogen-bonded Turntrans-775.2178.5-60.5-20000113.7I230I230-D232 PolarHBondContact O-N 3.4Å
233K81.7Confident83.1Confident162 Ų162121.2 Ų121.270%0.70463%0.626SS**THydrogen-bonded Turntrans-90.6-7.1175.9-61.4-174.9-179.5-179.60113.2I230 L231I230-K233 HydrophobicContact CB-CD 4.12Å; I230-K233 HydrophobicContact CG2-CD 4.1Å; I230-K233 VanDerWaalsContact O-CB 3.27Å; I230-K233 WeakPolarHBondContact O-CB 3.39Å; I230-K233 PolarHBondContact O-N 3.32Å; L231-K233 PolarHBondContact O-N 3.22Å; L231-K233 VanDerWaalsContact O-N 3.15Å
234S75.4Confident83Confident88 Ų88121.8 Ų121.862%0.61564%0.641SS**  trans-78.4124.3166.552.50000109.3L231L231-S234 PolarHBondContact O-N 2.98Å; L231-S234 PolarHBondContact O-OG 3.06Å; L231-S234 VanDerWaalsContact O-OG 3.08Å
235L75.3Confident82.6Confident171 Ų171124.4 Ų124.490%0.89566%0.66SS**  trans-77.2133.9158.8-65172.1000107.3
236D77.4Confident82Confident237 Ų237128.5 Ų128.5100%1.26768%0.675SS**  trans-54.30170.3-68.4-34.3000112.4

Retrieved 236 of 236 residues in 246 ms (Link to these results)

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