A0A077Z5R0_TRITR Loading...

TAP42 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z5R0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 158 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
1M36.6Very low53.6Low237 Ų237133.8 Ų133.8100%1.16767%0.668SS**  0100.90-78.9169.167.600108.2K3M1-K3 PolarHBondContact O-N 3.33Å
2V37.2Very low56.5Low149 Ų149125.7 Ų125.790%0.90363%0.628SS**  trans-79.8106.6172.2178.80000106.2K4V2-K4 PolarHBondContact O-N 2.91Å; V2-K4 VanDerWaalsContact O-N 3.1Å
3K39.9Very low59.2Low188 Ų188118.9 Ų118.982%0.81759%0.591SS**  trans-58.7114.4169.3-81.7-179.9173.3-1790106.7M1 E5M1-K3 PolarHBondContact O-N 3.33Å; K3-E5 VanDerWaalsContact C-N 3.28Å; K3-E5 PolarHBondContact O-N 2.95Å
4K43.5Very low61.6Low194 Ų194114.6 Ų114.684%0.84358%0.584SS**  trans-62.897.5163.5-116.5179176.2-179.80105.3V2 I6V2-K4 PolarHBondContact O-N 2.91Å; V2-K4 VanDerWaalsContact O-N 3.1Å; K4-I6 PolarHBondContact O-N 3.1Å
5E47.7Very low63.8Low185 Ų185112.5 Ų112.586%0.86457%0.571SS**  trans-62.496.9161.8-74.4177.3174.500105.7K3 D7K3-E5 VanDerWaalsContact C-N 3.28Å; K3-E5 PolarHBondContact O-N 2.95Å; E5-D7 PolarHBondContact O-N 3.38Å
6I51Low65.8Low140 Ų140106.3 Ų106.372%0.71854%0.538SS*.  trans-63.9108.6167.3-63.8174.4000103.9K4 E8K4-I6 PolarHBondContact O-N 3.1Å; I6-E8 PolarHBondContact O-N 2.93Å
7D59.2Low67.5Low33 Ų33102 Ų10218%0.17652%0.523CS..  trans-58.1105.3177.8-170.89.1000108E5 H9 V10 K71E5-D7 PolarHBondContact O-N 3.38Å; D7-H9 PolarHBondContact O-N 3.29Å; D7-H9 IonicContact OD1-CG 3.88Å; D7-H9 IonicContact OD1-ND1 3.21Å; D7-H9 PolarHBondContact OD1-ND1 3.15Å; D7-V10 HydrophobicContact CB-CG2 3.7Å; D7-V10 WeakPolarHBondContact O-CB 3.48Å; D7-V10 WeakPolarHBondContact O-CG2 3.13Å; D7-V10 PolarHBondContact O-N 3.02Å; D7-K71 IonicContact OD1-NZ 3.36Å; D7-K71 PolarHBondContact OD1-NZ 2.86Å; D7-K71 WeakPolarHBondContact OD2-CD 3.13Å; D7-K71 IonicContact OD2-NZ 3.12Å; D7-K71 PolarHBondContact OD2-NZ 2.68Å
8E60.8Low69Low165 Ų165102.1 Ų102.177%0.77152%0.521SS*.THydrogen-bonded Turntrans-55.1-16.8-173.9-67.6177.9163.800112.5I6 P11I6-E8 PolarHBondContact O-N 2.93Å; E8-P11 WeakPolarHBondContact O-CD 3.41Å
9H65.7Low70.5Confident34 Ų3497.3 Ų97.316%0.15750%0.496CS..THydrogen-bonded Turntrans-87.3-6.1179.7-51.280.7000114.2D7 L12 Y13 S58D7-H9 PolarHBondContact O-N 3.29Å; D7-H9 IonicContact OD1-CG 3.88Å; D7-H9 IonicContact OD1-ND1 3.21Å; D7-H9 PolarHBondContact OD1-ND1 3.15Å; H9-L12 PolarHBondContact O-N 2.97Å; H9-Y13 PolarHBondContact O-N 3.02Å; H9-S58 WeakPolarHBondContact NE2-CB 3.41Å
10V69.5Low71.7Confident59 Ų5992.6 Ų92.636%0.35847%0.473SS..Hα-helixtrans-58.9-45.2-179.3175.30000112.7D7 Y13 A14D7-V10 HydrophobicContact CB-CG2 3.7Å; D7-V10 WeakPolarHBondContact O-CB 3.48Å; D7-V10 WeakPolarHBondContact O-CG2 3.13Å; D7-V10 PolarHBondContact O-N 3.02Å; V10-Y13 PolarHBondContact O-N 2.94Å; V10-A14 PolarHBondContact O-N 3.28Å; V10-A14 VanDerWaalsContact O-N 3.13Å
11P78.6Confident72.8Confident88 Ų8892.9 Ų92.957%0.57148%0.475SS*.Hα-helixtrans-62.2-44.7178.3-21.734.5000112E8 Y13 A14 E15E8-P11 WeakPolarHBondContact O-CD 3.41Å; P11-Y13 VanDerWaalsContact C-N 3.33Å; P11-Y13 PolarHBondContact O-N 2.94Å; P11-A14 WeakPolarHBondContact O-CB 3.47Å; P11-A14 PolarHBondContact O-N 2.68Å; P11-A14 VanDerWaalsContact O-N 3.13Å; P11-E15 PolarHBondContact O-N 2.81Å
12L88.7Confident75.6Confident36 Ų3686.5 Ų86.519%0.18844%0.438CS..Hα-helixtrans-65.3-36.1-179.6-60.5177.6000112.1H9 E15 F16 L50 D53 I54H9-L12 PolarHBondContact O-N 2.97Å; L12-E15 PolarHBondContact O-N 3.04Å; L12-F16 WeakPolarHBondContact O-CB 3.14Å; L12-F16 PolarHBondContact O-N 3.31Å; L12-L50 HydrophobicContact CB-CD1 4.29Å; L12-L50 HydrophobicContact CD2-CD1 3.84Å; L12-D53 HydrophobicContact CD2-CB 4.3Å; L12-I54 HydrophobicContact CB-CG1 3.97Å; L12-I54 HydrophobicContact CD1-CG1 3.86Å; L12-I54 HydrophobicContact CG-CG1 4.42Å
13Y91.4Very high78.4Confident38 Ų3879.4 Ų79.415%0.14940%0.395CS..Hα-helixtrans-67-37.2173.8177.7-97.1000112.6H9 V10 P11 F16 A17 R73 R76 M77H9-Y13 PolarHBondContact O-N 3.02Å; V10-Y13 PolarHBondContact O-N 2.94Å; P11-Y13 VanDerWaalsContact C-N 3.33Å; P11-Y13 PolarHBondContact O-N 2.94Å; Y13-F16 PolarHBondContact O-N 3.27Å; Y13-A17 HydrophobicContact CE1-CB 4.49Å; Y13-A17 WeakPolarHBondContact O-CB 3.46Å; Y13-A17 PolarHBondContact O-N 2.92Å; Y13-R73 HydrophobicContact CD1-CB 4.41Å; Y13-R73 HydrophobicContact CD1-CG 3.93Å; Y13-R73 HydrophobicContact CD2-CB 3.48Å; Y13-R73 VanDerWaalsContact CD2-CB 3.48Å; Y13-R73 HydrophobicContact CD2-CG 3.82Å; Y13-R73 HydrophobicContact CE1-CG 3.98Å; Y13-R73 HydrophobicContact CE2-CB 3.79Å; Y13-R73 HydrophobicContact CE2-CG 3.85Å; Y13-R73 HydrophobicContact CG-CB 3.82Å; Y13-R73 HydrophobicContact CG-CG 3.86Å; Y13-R76 HydrophobicContact CE2-CB 4.07Å; Y13-R76 WeakPolarHBondContact OH-CD 3.45Å; Y13-R76 PolarHBondContact OH-NH1 2.89Å; Y13-M77 HydrophobicContact CD2-CG 3.91Å; Y13-M77 HydrophobicContact CD2-SD 4.13Å
14A92.6Very high81Confident59 Ų5973.6 Ų73.649%0.48837%0.373SS..Hα-helixtrans-65.2-44.217700000110.8V10 P11 A17 E18V10-A14 PolarHBondContact O-N 3.28Å; V10-A14 VanDerWaalsContact O-N 3.13Å; P11-A14 WeakPolarHBondContact O-CB 3.47Å; P11-A14 PolarHBondContact O-N 2.68Å; P11-A14 VanDerWaalsContact O-N 3.13Å; A14-A17 PolarHBondContact O-N 2.89Å; A14-E18 PolarHBondContact O-N 2.87Å
15E94.2Very high83.3Confident83 Ų8370.1 Ų70.139%0.38836%0.36SS..Hα-helixtrans-61.2-45.5173.9-170.7174.2173.600111.5P11 L12 A17 E18 L19 L50P11-E15 PolarHBondContact O-N 2.81Å; L12-E15 PolarHBondContact O-N 3.04Å; E15-A17 VanDerWaalsContact C-N 3.33Å; E15-A17 PolarHBondContact O-N 3.38Å; E15-E18 PolarHBondContact O-N 3.16Å; E15-L19 HydrophobicContact CG-CD1 4.42Å; E15-L19 WeakPolarHBondContact O-CG 3.1Å; E15-L19 PolarHBondContact O-N 2.95Å; E15-L50 HydrophobicContact CB-CD1 4.31Å; E15-L50 HydrophobicContact CB-CD2 4.37Å; E15-L50 HydrophobicContact CG-CD1 4.24Å; E15-L50 HydrophobicContact CG-CD2 4.17Å
16F95.4Very high85.4Confident12 Ų1261.8 Ų61.85%0.05332%0.321CS..Hα-helixtrans-57.8-45.1175178.5-93.4000112.1L12 Y13 E18 L19 G20 F47 L50 R76 M77 K79 A80 Y83L12-F16 WeakPolarHBondContact O-CB 3.14Å; L12-F16 PolarHBondContact O-N 3.31Å; Y13-F16 PolarHBondContact O-N 3.27Å; F16-E18 VanDerWaalsContact C-N 3.34Å; F16-E18 PolarHBondContact O-N 2.78Å; F16-L19 PolarHBondContact O-N 3.3Å; F16-G20 PolarHBondContact O-N 3.12Å; F16-F47 HydrophobicContact CD2-CD1 4.45Å; F16-F47 HydrophobicContact CD2-CE1 4.08Å; F16-F47 HydrophobicContact CE2-CD1 4.31Å; F16-F47 AromaticContact CE2-CE1 3.84Å; F16-F47 HydrophobicContact CE2-CE1 3.84Å; F16-L50 VanDerWaalsContact CA-CD2 3.46Å; F16-L50 HydrophobicContact CB-CD2 3.75Å; F16-L50 HydrophobicContact CD2-CD2 4.23Å; F16-R76 WeakPolarHBondContact CE1-O 3.19Å; F16-R76 WeakPolarHBondContact CZ-O 3.43Å; F16-M77 HydrophobicContact CB-CG 3.91Å; F16-M77 HydrophobicContact CB-SD 4.1Å; F16-M77 HydrophobicContact CD1-CB 4.36Å; F16-M77 HydrophobicContact CD1-CG 3.71Å; F16-M77 HydrophobicContact CD2-CB 4.22Å; F16-M77 HydrophobicContact CD2-CG 4.11Å; F16-M77 HydrophobicContact CE1-CG 4.31Å; F16-M77 HydrophobicContact CE2-CB 4.43Å; F16-M77 HydrophobicContact CG-CB 4.2Å; F16-M77 HydrophobicContact CG-CG 3.6Å; F16-M77 HydrophobicContact CG-SD 4.42Å; F16-K79 HydrophobicContact CZ-CB 4.23Å; F16-A80 HydrophobicContact CD2-CB 4.47Å; F16-A80 HydrophobicContact CE2-CB 3.8Å; F16-Y83 HydrophobicContact CZ-CD2 4.27Å; F16-Y83 AromaticContact CZ-CE2 3.97Å; F16-Y83 HydrophobicContact CZ-CE2 3.97Å
17A94.9Very high87.4Confident34 Ų3456.8 Ų56.828%0.28130%0.295SS..Hα-helixtrans-64.9-39.5-178.800000111.7Y13 A14 E15 G20 I21Y13-A17 HydrophobicContact CE1-CB 4.49Å; Y13-A17 WeakPolarHBondContact O-CB 3.46Å; Y13-A17 PolarHBondContact O-N 2.92Å; A14-A17 PolarHBondContact O-N 2.89Å; E15-A17 VanDerWaalsContact C-N 3.33Å; E15-A17 PolarHBondContact O-N 3.38Å; A17-G20 PolarHBondContact O-N 3.32Å; A17-I21 WeakPolarHBondContact O-CG1 3.4Å; A17-I21 PolarHBondContact O-N 3.21Å; A17-I21 VanDerWaalsContact O-N 3.13Å
18E95.7Very high88.8Confident103 Ų10361.6 Ų61.648%0.48132%0.317SS..Hα-helixtrans-66.8-46.4176.1-174.5177174.900111.9A14 E15 F16 G20 I21 R22A14-E18 PolarHBondContact O-N 2.87Å; E15-E18 PolarHBondContact O-N 3.16Å; F16-E18 VanDerWaalsContact C-N 3.34Å; F16-E18 PolarHBondContact O-N 2.78Å; E18-G20 VanDerWaalsContact C-N 3.3Å; E18-G20 PolarHBondContact O-N 2.82Å; E18-I21 PolarHBondContact O-N 3.17Å; E18-R22 WeakPolarHBondContact O-CG 3.47Å; E18-R22 PolarHBondContact O-N 2.91Å; E18-R22 IonicContact OE1-CZ 3.51Å; E18-R22 IonicContact OE1-NE 3.67Å; E18-R22 IonicContact OE1-NH2 2.66Å; E18-R22 PolarHBondContact OE1-NH2 2.83Å
19L96.4Very high90Very high11 Ų1155.5 Ų55.56%0.05829%0.292CS..Hα-helixtrans-61.9-39.2174.9-68.7-179.5000111.7E15 F16 I21 R22 A23 M43 K46 F47 L50E15-L19 HydrophobicContact CG-CD1 4.42Å; E15-L19 WeakPolarHBondContact O-CG 3.1Å; E15-L19 PolarHBondContact O-N 2.95Å; F16-L19 PolarHBondContact O-N 3.3Å; L19-I21 PolarHBondContact O-N 3.43Å; L19-R22 PolarHBondContact O-N 2.71Å; L19-A23 WeakPolarHBondContact O-CB 3.41Å; L19-A23 PolarHBondContact O-N 2.73Å; L19-M43 HydrophobicContact CD2-SD 3.98Å; L19-K46 HydrophobicContact CD1-CB 3.94Å; L19-K46 HydrophobicContact CD2-CB 3.97Å; L19-K46 HydrophobicContact CD2-CD 3.86Å; L19-K46 HydrophobicContact CD2-CG 4.49Å; L19-F47 HydrophobicContact CB-CE1 3.87Å; L19-F47 HydrophobicContact CB-CE2 4.21Å; L19-F47 HydrophobicContact CB-CZ 3.69Å; L19-L50 HydrophobicContact CD1-CB 4.44Å; L19-L50 HydrophobicContact CD1-CD2 3.82Å
20G95.8Very high90.6Very high3 Ų358.7 Ų58.73%0.03130%0.303CS..Hα-helixtrans-59-45.8177.100000112.6F16 A17 E18 A23 D24F16-G20 PolarHBondContact O-N 3.12Å; A17-G20 PolarHBondContact O-N 3.32Å; E18-G20 VanDerWaalsContact C-N 3.3Å; E18-G20 PolarHBondContact O-N 2.82Å; G20-A23 PolarHBondContact O-N 3.37Å; G20-D24 WeakPolarHBondContact O-CB 3.36Å; G20-D24 PolarHBondContact O-N 3.24Å
21I95Very high90.8Very high100 Ų10061.8 Ų61.851%0.51332%0.322SS..Hα-helixtrans-59.9-48.9176.2-68.7164.1000110.6A17 E18 L19 A23 D24 E25A17-I21 WeakPolarHBondContact O-CG1 3.4Å; A17-I21 PolarHBondContact O-N 3.21Å; A17-I21 VanDerWaalsContact O-N 3.13Å; E18-I21 PolarHBondContact O-N 3.17Å; L19-I21 PolarHBondContact O-N 3.43Å; I21-A23 VanDerWaalsContact C-N 3.31Å; I21-A23 PolarHBondContact O-N 3.22Å; I21-D24 PolarHBondContact O-N 3.33Å; I21-E25 WeakPolarHBondContact O-CG 3.37Å; I21-E25 PolarHBondContact O-N 2.77Å
22R95.2Very high90.7Very high102 Ų10264.7 Ų64.739%0.38533%0.332SS..Hα-helixtrans-62.2-39.3179.4-65.6179.9-170.8-158.35.9112E18 L19 E25 I26 M43E18-R22 WeakPolarHBondContact O-CG 3.47Å; E18-R22 PolarHBondContact O-N 2.91Å; E18-R22 IonicContact OE1-CZ 3.51Å; E18-R22 IonicContact OE1-NE 3.67Å; E18-R22 IonicContact OE1-NH2 2.66Å; E18-R22 PolarHBondContact OE1-NH2 2.83Å; L19-R22 PolarHBondContact O-N 2.71Å; R22-E25 PolarHBondContact O-N 2.86Å; R22-I26 VanDerWaalsContact O-CG1 3.28Å; R22-I26 WeakPolarHBondContact O-CG1 3.33Å; R22-I26 PolarHBondContact O-N 3.29Å; R22-M43 HydrophobicContact CB-CE 4.37Å; R22-M43 HydrophobicContact CB-SD 4.3Å
23A95.1Very high90.4Very high0 Ų066.7 Ų66.70%035%0.346CS..Hα-helixtrans-67.3-42.3177.500000111.9L19 G20 I21 E25 I26 I27 M43 F47 Y83L19-A23 WeakPolarHBondContact O-CB 3.41Å; L19-A23 PolarHBondContact O-N 2.73Å; G20-A23 PolarHBondContact O-N 3.37Å; I21-A23 VanDerWaalsContact C-N 3.31Å; I21-A23 PolarHBondContact O-N 3.22Å; A23-E25 VanDerWaalsContact C-N 3.33Å; A23-E25 PolarHBondContact O-N 3.03Å; A23-I26 PolarHBondContact O-N 2.7Å; A23-I27 WeakPolarHBondContact O-CB 3.46Å; A23-I27 WeakPolarHBondContact O-CD1 3.38Å; A23-I27 WeakPolarHBondContact O-CG1 3.33Å; A23-I27 PolarHBondContact O-N 2.95Å; A23-M43 HydrophobicContact CB-CG 4.38Å; A23-F47 HydrophobicContact CB-CE2 3.71Å; A23-F47 HydrophobicContact CB-CZ 3.98Å; A23-Y83 HydrophobicContact CB-CD1 3.55Å; A23-Y83 HydrophobicContact CB-CE1 3.92Å; A23-Y83 HydrophobicContact CB-CG 4.16Å
24D94.1Very high90Very high67 Ų6769.1 Ų69.136%0.35837%0.367SS..Hα-helixtrans-58.7-44.9173.4-75.6-38.8000110.6G20 I21 I26 I27 E28 Y83G20-D24 WeakPolarHBondContact O-CB 3.36Å; G20-D24 PolarHBondContact O-N 3.24Å; I21-D24 PolarHBondContact O-N 3.33Å; D24-I26 PolarHBondContact O-N 2.96Å; D24-I27 PolarHBondContact O-N 2.96Å; D24-E28 WeakPolarHBondContact O-CB 3.49Å; D24-E28 VanDerWaalsContact O-CG 3.29Å; D24-E28 WeakPolarHBondContact O-CG 3.43Å; D24-E28 PolarHBondContact O-N 3.37Å; D24-Y83 VanDerWaalsContact OD1-CE1 3.3Å; D24-Y83 WeakPolarHBondContact OD1-CE1 3.41Å; D24-Y83 PolarHBondContact OD1-OH 3.42Å; D24-Y83 PolarHBondContact OD2-OH 3.06Å
25E92.6Very high89.9Confident121 Ų12166.5 Ų66.557%0.56534%0.344SS*.Hα-helixtrans-58.6-45.9175.6-71.7171171.700112.4I21 R22 A23 E28 S29I21-E25 WeakPolarHBondContact O-CG 3.37Å; I21-E25 PolarHBondContact O-N 2.77Å; R22-E25 PolarHBondContact O-N 2.86Å; A23-E25 VanDerWaalsContact C-N 3.33Å; A23-E25 PolarHBondContact O-N 3.03Å; E25-E28 PolarHBondContact O-N 3.41Å; E25-S29 WeakPolarHBondContact O-CB 3.42Å; E25-S29 PolarHBondContact O-N 3.21Å
26I92Very high89.8Confident10 Ų1065.3 Ų65.35%0.05135%0.345CS..Hα-helixtrans-62.5-47.3176.7-67.2163.9000110.6R22 A23 D24 E28 S29 R30 V35 E39 M43 L87 I90R22-I26 VanDerWaalsContact O-CG1 3.28Å; R22-I26 WeakPolarHBondContact O-CG1 3.33Å; R22-I26 PolarHBondContact O-N 3.29Å; A23-I26 PolarHBondContact O-N 2.7Å; D24-I26 PolarHBondContact O-N 2.96Å; I26-E28 VanDerWaalsContact C-N 3.35Å; I26-E28 PolarHBondContact O-N 3.25Å; I26-S29 PolarHBondContact O-N 3.16Å; I26-S29 PolarHBondContact O-OG 2.79Å; I26-R30 PolarHBondContact O-N 3.39Å; I26-V35 HydrophobicContact CG2-CG1 3.53Å; I26-V35 HydrophobicContact CG2-CG2 4.32Å; I26-E39 HydrophobicContact CD1-CG 3.87Å; I26-E39 HydrophobicContact CG1-CG 4.3Å; I26-M43 HydrophobicContact CD1-CB 4.2Å; I26-M43 HydrophobicContact CD1-CE 4.04Å; I26-M43 HydrophobicContact CD1-CG 4.05Å; I26-L87 HydrophobicContact CB-CD2 4.32Å; I26-L87 HydrophobicContact CG2-CD2 3.84Å; I26-I90 HydrophobicContact CG2-CD1 4.07Å
27I91.8Very high89.8Confident35 Ų3565.7 Ų65.718%0.17935%0.35CS..Hα-helixtrans-62.3-43-179.3-68.8161.1000110.9A23 D24 R30 Y83 M86 I90A23-I27 WeakPolarHBondContact O-CB 3.46Å; A23-I27 WeakPolarHBondContact O-CD1 3.38Å; A23-I27 WeakPolarHBondContact O-CG1 3.33Å; A23-I27 PolarHBondContact O-N 2.95Å; D24-I27 PolarHBondContact O-N 2.96Å; I27-R30 WeakPolarHBondContact O-CB 3.44Å; I27-R30 PolarHBondContact O-N 3.42Å; I27-Y83 HydrophobicContact CD1-CD1 4Å; I27-Y83 HydrophobicContact CD1-CE1 4.44Å; I27-M86 HydrophobicContact CD1-CB 3.77Å; I27-M86 HydrophobicContact CD1-SD 3.97Å; I27-M86 HydrophobicContact CG1-CB 4.19Å; I27-I90 HydrophobicContact CB-CD1 4.3Å; I27-I90 HydrophobicContact CG1-CD1 3.84Å
28E89.2Confident89.8Confident133 Ų13371.4 Ų71.462%0.62137%0.371SS*.Hα-helixtrans-67-37.9177.1-72.5-178176.900111.7D24 E25 I26 R30 T31D24-E28 WeakPolarHBondContact O-CB 3.49Å; D24-E28 VanDerWaalsContact O-CG 3.29Å; D24-E28 WeakPolarHBondContact O-CG 3.43Å; D24-E28 PolarHBondContact O-N 3.37Å; E25-E28 PolarHBondContact O-N 3.41Å; I26-E28 VanDerWaalsContact C-N 3.35Å; I26-E28 PolarHBondContact O-N 3.25Å; E28-R30 PolarHBondContact O-N 2.68Å; E28-T31 WeakPolarHBondContact O-CB 3.48Å; E28-T31 PolarHBondContact O-N 3.13Å; E28-T31 PolarHBondContact O-OG1 3.05Å
29S85.2Confident89.8Confident38 Ų3870.2 Ų70.227%0.26637%0.366SS..Hα-helixtrans-61.3-26.5178.1820000113.3E25 I26 T31 L32 T33E25-S29 WeakPolarHBondContact O-CB 3.42Å; E25-S29 PolarHBondContact O-N 3.21Å; I26-S29 PolarHBondContact O-N 3.16Å; I26-S29 PolarHBondContact O-OG 2.79Å; S29-T31 PolarHBondContact O-N 3.41Å; S29-L32 WeakPolarHBondContact O-CA 3.5Å; S29-L32 WeakPolarHBondContact O-CB 3.22Å; S29-L32 PolarHBondContact O-N 2.99Å; S29-T33 PolarHBondContact O-N 3.14Å
30R78.9Confident89.7Confident101 Ų10169.7 Ų69.738%0.38136%0.363SS..THydrogen-bonded Turntrans-56.9-27.2177.7-173.861.9175.9110.5-7.8113.1I26 I27 E28 L32 T33 V35 I90I26-R30 PolarHBondContact O-N 3.39Å; I27-R30 WeakPolarHBondContact O-CB 3.44Å; I27-R30 PolarHBondContact O-N 3.42Å; E28-R30 PolarHBondContact O-N 2.68Å; R30-L32 PolarHBondContact O-N 3.18Å; R30-T33 CarbonylContact C-O 3.58Å; R30-T33 WeakPolarHBondContact CA-O 3.24Å; R30-V35 HydrophobicContact CB-CG2 3.94Å; R30-V35 HydrophobicContact CG-CG2 4.48Å; R30-I90 HydrophobicContact CB-CB 4.24Å; R30-I90 HydrophobicContact CB-CD1 4.42Å; R30-I90 HydrophobicContact CB-CG2 4.33Å; R30-I90 WeakPolarHBondContact CD-O 3.22Å; R30-I90 HydrophobicContact CG-CB 3.81Å; R30-I90 HydrophobicContact CG-CG2 3.97Å; R30-I90 PolarHBondContact NE-O 2.87Å
31T74.4Confident89.7Confident123 Ų12373 Ų7376%0.75538%0.379SS*.THydrogen-bonded Turntrans-67.7-18.9176.764.60000113.2E28 S29E28-T31 WeakPolarHBondContact O-CB 3.48Å; E28-T31 PolarHBondContact O-N 3.13Å; E28-T31 PolarHBondContact O-OG1 3.05Å; S29-T31 PolarHBondContact O-N 3.41Å
32L75.7Confident89.8Confident149 Ų14973.3 Ų73.378%0.7838%0.379SS*.THydrogen-bonded Turntrans-107.8-41.2-176.7-58.6175.9000112.1S29 R30S29-L32 WeakPolarHBondContact O-CA 3.5Å; S29-L32 WeakPolarHBondContact O-CB 3.22Å; S29-L32 PolarHBondContact O-N 2.99Å; R30-L32 PolarHBondContact O-N 3.18Å
33T82.2Confident89.9Confident79 Ų7969 Ų6949%0.48536%0.363SS..SBendtrans-141.8156.3-175.951.40000112S29 R30S29-T33 PolarHBondContact O-N 3.14Å; R30-T33 CarbonylContact C-O 3.58Å; R30-T33 WeakPolarHBondContact CA-O 3.24Å
34P84.2Confident90Very high89 Ų8969 Ų6958%0.57836%0.363SS*.PPolyproline II helixtrans-53.5139.9161-21.633.6000110.7
35V89.4Confident90.2Very high4 Ų467.2 Ų67.22%0.02436%0.361CS..EExtended strand (participates in β ladder)trans-100.8133.8175.51790000107.6I26 R30 C40 I90 D92I26-V35 HydrophobicContact CG2-CG1 3.53Å; I26-V35 HydrophobicContact CG2-CG2 4.32Å; R30-V35 HydrophobicContact CB-CG2 3.94Å; R30-V35 HydrophobicContact CG-CG2 4.48Å; V35-C40 WeakPolarHBondContact CG1-SG 3.38Å; V35-I90 HydrophobicContact CG2-CD1 4.37Å; V35-D92 PolarHBondContact O-N 2.69Å
36S93.3Very high90.4Very high58 Ų5864.5 Ų64.541%0.40635%0.347SS..EExtended strand (participates in β ladder)trans-67.3139.8-177.475.90000111.2E38 E39 C40S36-E38 PolarHBondContact O-N 3.05Å; S36-E39 PolarHBondContact O-N 3.3Å; S36-E39 WeakPolarHBondContact OG-CB 3.41Å; S36-E39 PolarHBondContact OG-N 3.02Å; S36-E39 VanDerWaalsContact OG-N 3.14Å; S36-C40 PolarHBondContact O-N 3.18Å; S36-C40 VanDerWaalsContact O-N 3.16Å
37A94.4Very high90.7Very high19 Ų1964 Ų6416%0.15735%0.345CS..Hα-helixtrans-55.4-37.9172.700000112.3C40 L41 D92 F93A37-C40 PolarHBondContact O-N 3.1Å; A37-L41 WeakPolarHBondContact O-CB 3.3Å; A37-L41 VanDerWaalsContact O-CG 3.23Å; A37-L41 WeakPolarHBondContact O-CG 3.44Å; A37-L41 PolarHBondContact O-N 3.43Å; A37-D92 WeakPolarHBondContact CB-O 3.42Å; A37-F93 HydrophobicContact CB-CD1 3.35Å; A37-F93 HydrophobicContact CB-CE1 3.53Å; A37-F93 HydrophobicContact CB-CG 4.13Å; A37-F93 HydrophobicContact CB-CZ 4.44Å
38E95.2Very high90.9Very high155 Ų15566.3 Ų66.372%0.72435%0.354SS*.Hα-helixtrans-61.5-47.4179.8-174.8174.5-172.600112S36 C40 L41 E42S36-E38 PolarHBondContact O-N 3.05Å; E38-C40 PolarHBondContact O-N 2.96Å; E38-L41 PolarHBondContact O-N 3.27Å; E38-E42 WeakPolarHBondContact O-CB 3.2Å; E38-E42 PolarHBondContact O-N 3Å
39E94.8Very high91.2Very high78 Ų7866.5 Ų66.536%0.36435%0.353SS..Hα-helixtrans-63.2-42.3177.2-178.1174.2-152.800111.7I26 S36 L41 M43I26-E39 HydrophobicContact CD1-CG 3.87Å; I26-E39 HydrophobicContact CG1-CG 4.3Å; S36-E39 PolarHBondContact O-N 3.3Å; S36-E39 WeakPolarHBondContact OG-CB 3.41Å; S36-E39 PolarHBondContact OG-N 3.02Å; S36-E39 VanDerWaalsContact OG-N 3.14Å; E39-L41 PolarHBondContact O-N 3.47Å; E39-M43 WeakPolarHBondContact O-CB 3.45Å; E39-M43 PolarHBondContact O-N 3.45Å
40C95.4Very high91.7Very high0 Ų064.8 Ų64.80%034%0.341CS..Hα-helixtrans-62.7-41.6175-71.10000112.4V35 S36 A37 E38 S44 L87 G91 F93V35-C40 WeakPolarHBondContact CG1-SG 3.38Å; S36-C40 PolarHBondContact O-N 3.18Å; S36-C40 VanDerWaalsContact O-N 3.16Å; A37-C40 PolarHBondContact O-N 3.1Å; E38-C40 PolarHBondContact O-N 2.96Å; C40-S44 WeakPolarHBondContact O-CB 3.37Å; C40-S44 PolarHBondContact O-N 3.14Å; C40-S44 PolarHBondContact O-OG 3.32Å; C40-L87 HydrophobicContact CB-CB 4.3Å; C40-L87 PolarHBondContact SG-O 3Å; C40-L87 VanDerWaalsContact SG-O 3.34Å; C40-G91 VanDerWaalsContact SG-CA 3.57Å; C40-F93 HydrophobicContact CB-CE1 4.49Å; C40-F93 HydrophobicContact CB-CZ 3.74Å
41L96.6Very high92.4Very high71 Ų7160.7 Ų60.737%0.37233%0.326SS..Hα-helixtrans-67.6-45.3178.1-75.9169.9000111.8A37 E38 E39 M43 S44 G45 M88 F93 Y99A37-L41 WeakPolarHBondContact O-CB 3.3Å; A37-L41 VanDerWaalsContact O-CG 3.23Å; A37-L41 WeakPolarHBondContact O-CG 3.44Å; A37-L41 PolarHBondContact O-N 3.43Å; E38-L41 PolarHBondContact O-N 3.27Å; E39-L41 PolarHBondContact O-N 3.47Å; L41-M43 VanDerWaalsContact C-N 3.32Å; L41-M43 PolarHBondContact O-N 3.06Å; L41-S44 PolarHBondContact O-N 3.02Å; L41-G45 PolarHBondContact O-N 3.48Å; L41-M88 HydrophobicContact CD2-CE 4.13Å; L41-M88 HydrophobicContact CD2-SD 4.48Å; L41-F93 HydrophobicContact CD1-CE1 4.33Å; L41-F93 HydrophobicContact CD2-CE1 4.29Å; L41-F93 HydrophobicContact CG-CE1 3.95Å; L41-Y99 HydrophobicContact CD2-CE1 3.75Å
42E96.9Very high93.3Very high108 Ų10857.1 Ų57.151%0.50531%0.309SS..Hα-helixtrans-59.9-46.8177.8-170.9-167.2156.500110.3E38 G45 K46E38-E42 WeakPolarHBondContact O-CB 3.2Å; E38-E42 PolarHBondContact O-N 3Å; E42-G45 PolarHBondContact O-N 3.37Å; E42-K46 WeakPolarHBondContact O-CG 3.44Å; E42-K46 PolarHBondContact O-N 3.1Å; E42-K46 VanDerWaalsContact O-N 3.14Å; E42-K46 VanDerWaalsContact OE1-CE 3.29Å; E42-K46 WeakPolarHBondContact OE1-CE 3.45Å; E42-K46 IonicContact OE1-NZ 2.82Å; E42-K46 PolarHBondContact OE1-NZ 2.85Å
43M96.7Very high94.1Very high11 Ų1153 Ų535%0.05429%0.288CS..Hα-helixtrans-67-42-179.4-1625645.900112.1L19 R22 A23 I26 E39 L41 K46 F47 L87L19-M43 HydrophobicContact CD2-SD 3.98Å; R22-M43 HydrophobicContact CB-CE 4.37Å; R22-M43 HydrophobicContact CB-SD 4.3Å; A23-M43 HydrophobicContact CB-CG 4.38Å; I26-M43 HydrophobicContact CD1-CB 4.2Å; I26-M43 HydrophobicContact CD1-CE 4.04Å; I26-M43 HydrophobicContact CD1-CG 4.05Å; E39-M43 WeakPolarHBondContact O-CB 3.45Å; E39-M43 PolarHBondContact O-N 3.45Å; L41-M43 VanDerWaalsContact C-N 3.32Å; L41-M43 PolarHBondContact O-N 3.06Å; M43-K46 HydrophobicContact CE-CD 4.42Å; M43-K46 PolarHBondContact O-N 3.27Å; M43-K46 HydrophobicContact SD-CD 4.39Å; M43-F47 HydrophobicContact CG-CD2 4.46Å; M43-F47 HydrophobicContact CG-CE2 4.18Å; M43-F47 WeakPolarHBondContact O-CD2 3.33Å; M43-F47 PolarHBondContact O-N 3.28Å; M43-L87 HydrophobicContact CB-CD1 3.83Å; M43-L87 HydrophobicContact CB-CD2 4.34Å; M43-L87 HydrophobicContact CG-CD1 3.77Å; M43-L87 HydrophobicContact CG-CD2 4.44Å
44S97.2Very high94.5Very high1 Ų149.3 Ų49.31%0.00727%0.265CS..Hα-helixtrans-63.5-43.1176.9-61.50000112C40 L41 K46 F47 E48 L87 M88C40-S44 WeakPolarHBondContact O-CB 3.37Å; C40-S44 PolarHBondContact O-N 3.14Å; C40-S44 PolarHBondContact O-OG 3.32Å; L41-S44 PolarHBondContact O-N 3.02Å; S44-K46 VanDerWaalsContact C-N 3.28Å; S44-K46 PolarHBondContact O-N 3.44Å; S44-F47 PolarHBondContact O-N 2.88Å; S44-F47 VanDerWaalsContact O-N 3.1Å; S44-E48 WeakPolarHBondContact O-CG 3.48Å; S44-E48 PolarHBondContact O-N 3.32Å; S44-L87 WeakPolarHBondContact OG-CB 3.37Å; S44-M88 VanDerWaalsContact CB-CE 3.42Å; S44-M88 WeakPolarHBondContact OG-CE 3.47Å
45G97.5Very high94.7Very high29 Ų2946.5 Ų46.530%0.29925%0.246SC..Hα-helixtrans-62.4-33.3176.800000113.1L41 E42 E48 K49L41-G45 PolarHBondContact O-N 3.48Å; E42-G45 PolarHBondContact O-N 3.37Å; G45-E48 PolarHBondContact O-N 3.3Å; G45-K49 WeakPolarHBondContact O-CB 3.47Å; G45-K49 PolarHBondContact O-N 2.97Å
46K97.8Very high94.6Very high63 Ų6352.8 Ų52.827%0.27428%0.279SS..Hα-helixtrans-65.1-42.6172.1-71.4171.4-174.4167.30111.8L19 E42 M43 S44 L50L19-K46 HydrophobicContact CD1-CB 3.94Å; L19-K46 HydrophobicContact CD2-CB 3.97Å; L19-K46 HydrophobicContact CD2-CD 3.86Å; L19-K46 HydrophobicContact CD2-CG 4.49Å; E42-K46 WeakPolarHBondContact O-CG 3.44Å; E42-K46 PolarHBondContact O-N 3.1Å; E42-K46 VanDerWaalsContact O-N 3.14Å; E42-K46 VanDerWaalsContact OE1-CE 3.29Å; E42-K46 WeakPolarHBondContact OE1-CE 3.45Å; E42-K46 IonicContact OE1-NZ 2.82Å; E42-K46 PolarHBondContact OE1-NZ 2.85Å; M43-K46 HydrophobicContact CE-CD 4.42Å; M43-K46 PolarHBondContact O-N 3.27Å; M43-K46 HydrophobicContact SD-CD 4.39Å; S44-K46 VanDerWaalsContact C-N 3.28Å; S44-K46 PolarHBondContact O-N 3.44Å; K46-L50 WeakPolarHBondContact O-CB 3.46Å; K46-L50 PolarHBondContact O-N 3.2Å
47F97.4Very high94Very high1 Ų153 Ų530%0.00429%0.29CS..Hα-helixtrans-65.2-44173.9-81.5-70.5000112.6F16 L19 A23 M43 S44 K49 L50 M51 A80 Y83 I84 L87F16-F47 HydrophobicContact CD2-CD1 4.45Å; F16-F47 HydrophobicContact CD2-CE1 4.08Å; F16-F47 HydrophobicContact CE2-CD1 4.31Å; F16-F47 AromaticContact CE2-CE1 3.84Å; F16-F47 HydrophobicContact CE2-CE1 3.84Å; L19-F47 HydrophobicContact CB-CE1 3.87Å; L19-F47 HydrophobicContact CB-CE2 4.21Å; L19-F47 HydrophobicContact CB-CZ 3.69Å; A23-F47 HydrophobicContact CB-CE2 3.71Å; A23-F47 HydrophobicContact CB-CZ 3.98Å; M43-F47 HydrophobicContact CG-CD2 4.46Å; M43-F47 HydrophobicContact CG-CE2 4.18Å; M43-F47 WeakPolarHBondContact O-CD2 3.33Å; M43-F47 PolarHBondContact O-N 3.28Å; S44-F47 PolarHBondContact O-N 2.88Å; S44-F47 VanDerWaalsContact O-N 3.1Å; F47-K49 VanDerWaalsContact C-N 3.31Å; F47-K49 PolarHBondContact O-N 3.01Å; F47-L50 PolarHBondContact O-N 3.04Å; F47-M51 WeakPolarHBondContact O-CB 3.34Å; F47-M51 VanDerWaalsContact O-CG 3.24Å; F47-M51 WeakPolarHBondContact O-CG 3.24Å; F47-M51 PolarHBondContact O-N 3.4Å; F47-A80 HydrophobicContact CD1-CB 4.05Å; F47-Y83 AromaticContact CE1-CD2 3.85Å; F47-Y83 HydrophobicContact CE1-CD2 3.85Å; F47-Y83 HydrophobicContact CE1-CG 4.29Å; F47-Y83 HydrophobicContact CE2-CD2 4.49Å; F47-Y83 HydrophobicContact CE2-CG 4.14Å; F47-Y83 HydrophobicContact CZ-CD1 4.49Å; F47-Y83 AromaticContact CZ-CD2 3.7Å; F47-Y83 HydrophobicContact CZ-CD2 3.7Å; F47-Y83 HydrophobicContact CZ-CE2 4.39Å; F47-Y83 AromaticContact CZ-CG 3.77Å; F47-Y83 HydrophobicContact CZ-CG 3.77Å; F47-I84 HydrophobicContact CB-CD1 3.69Å; F47-I84 HydrophobicContact CB-CG1 3.58Å; F47-I84 HydrophobicContact CG-CG1 4.3Å; F47-L87 HydrophobicContact CD2-CD1 4.35Å; F47-L87 HydrophobicContact CE2-CD1 4.41Å
48E96.4Very high93.5Very high82 Ų8252.7 Ų52.738%0.38329%0.287SS..Hα-helixtrans-58.1-46177.9-72.7175.2161.400111.1S44 G45 M51 A52 I84 Y106S44-E48 WeakPolarHBondContact O-CG 3.48Å; S44-E48 PolarHBondContact O-N 3.32Å; G45-E48 PolarHBondContact O-N 3.3Å; E48-M51 PolarHBondContact O-N 2.97Å; E48-A52 PolarHBondContact O-N 3.47Å; E48-I84 HydrophobicContact CG-CD1 3.87Å; E48-Y106 PolarHBondContact OE1-OH 3.49Å
49K96Very high93Very high137 Ų13751 Ų5160%0.59628%0.279SS*.Hα-helixtrans-61-49.6175.5-174.9-175.3174.9-168.10111.6G45 F47 M51 A52 D53G45-K49 WeakPolarHBondContact O-CB 3.47Å; G45-K49 PolarHBondContact O-N 2.97Å; F47-K49 VanDerWaalsContact C-N 3.31Å; F47-K49 PolarHBondContact O-N 3.01Å; K49-M51 VanDerWaalsContact C-N 3.3Å; K49-M51 PolarHBondContact O-N 2.97Å; K49-A52 WeakPolarHBondContact O-CB 3.3Å; K49-A52 PolarHBondContact O-N 3.45Å; K49-A52 VanDerWaalsContact O-N 3.16Å; K49-D53 PolarHBondContact O-N 3.4Å
50L95.3Very high92.7Very high2 Ų247.5 Ų47.51%0.0126%0.262CS..Hα-helixtrans-62.5-38.3-179.9-179.860.3000112L12 E15 F16 L19 K46 F47 A52 D53 I54L12-L50 HydrophobicContact CB-CD1 4.29Å; L12-L50 HydrophobicContact CD2-CD1 3.84Å; E15-L50 HydrophobicContact CB-CD1 4.31Å; E15-L50 HydrophobicContact CB-CD2 4.37Å; E15-L50 HydrophobicContact CG-CD1 4.24Å; E15-L50 HydrophobicContact CG-CD2 4.17Å; F16-L50 VanDerWaalsContact CA-CD2 3.46Å; F16-L50 HydrophobicContact CB-CD2 3.75Å; F16-L50 HydrophobicContact CD2-CD2 4.23Å; L19-L50 HydrophobicContact CD1-CB 4.44Å; L19-L50 HydrophobicContact CD1-CD2 3.82Å; K46-L50 WeakPolarHBondContact O-CB 3.46Å; K46-L50 PolarHBondContact O-N 3.2Å; F47-L50 PolarHBondContact O-N 3.04Å; L50-A52 VanDerWaalsContact C-N 3.35Å; L50-D53 PolarHBondContact O-N 2.64Å; L50-I54 HydrophobicContact CD1-CD1 4.13Å; L50-I54 HydrophobicContact CD1-CG1 4.24Å; L50-I54 HydrophobicContact CG-CD1 3.85Å; L50-I54 HydrophobicContact CG-CG1 4.42Å; L50-I54 WeakPolarHBondContact O-CB 3.45Å; L50-I54 WeakPolarHBondContact O-CD1 3.24Å; L50-I54 WeakPolarHBondContact O-CG1 3.27Å; L50-I54 PolarHBondContact O-N 3.36Å
51M94.3Very high92.3Very high16 Ų1648.2 Ų48.28%0.07927%0.265CS..Hα-helixtrans-60.6-44.7174.4-75.917755.700111.5F47 E48 K49 I54 D55 Y61 A80 P81 I84F47-M51 WeakPolarHBondContact O-CB 3.34Å; F47-M51 VanDerWaalsContact O-CG 3.24Å; F47-M51 WeakPolarHBondContact O-CG 3.24Å; F47-M51 PolarHBondContact O-N 3.4Å; E48-M51 PolarHBondContact O-N 2.97Å; K49-M51 VanDerWaalsContact C-N 3.3Å; K49-M51 PolarHBondContact O-N 2.97Å; M51-I54 PolarHBondContact O-N 3.42Å; M51-D55 WeakPolarHBondContact O-CB 3.4Å; M51-D55 PolarHBondContact O-N 2.84Å; M51-Y61 HydrophobicContact CB-CD2 4.07Å; M51-Y61 HydrophobicContact CB-CE2 3.85Å; M51-Y61 HydrophobicContact CE-CD1 3.98Å; M51-Y61 HydrophobicContact CE-CD2 4.32Å; M51-Y61 HydrophobicContact CE-CE1 4.28Å; M51-Y61 HydrophobicContact CE-CG 4.01Å; M51-Y61 HydrophobicContact CG-CD2 4.18Å; M51-Y61 HydrophobicContact CG-CE1 4.19Å; M51-Y61 HydrophobicContact CG-CE2 3.67Å; M51-A80 HydrophobicContact CG-CB 3.51Å; M51-A80 HydrophobicContact SD-CB 3.54Å; M51-A80 VanDerWaalsContact SD-CB 3.54Å; M51-P81 HydrophobicContact CE-CG 3.8Å; M51-P81 HydrophobicContact SD-CG 4.15Å; M51-I84 HydrophobicContact SD-CD1 3.72Å
52A93Very high91.8Very high48 Ų4848.6 Ų48.640%0.39727%0.274SS..Hα-helixtrans-62.3-43175.900000111.7E48 K49 L50 D55 N56E48-A52 PolarHBondContact O-N 3.47Å; K49-A52 WeakPolarHBondContact O-CB 3.3Å; K49-A52 PolarHBondContact O-N 3.45Å; K49-A52 VanDerWaalsContact O-N 3.16Å; L50-A52 VanDerWaalsContact C-N 3.35Å; A52-D55 PolarHBondContact O-N 3.46Å; A52-N56 WeakPolarHBondContact O-CB 3.37Å; A52-N56 PolarHBondContact O-N 3.29Å; A52-N56 PolarHBondContact O-ND2 3.13Å; A52-N56 VanDerWaalsContact O-ND2 3.16Å
53D92.4Very high91.1Very high63 Ų6344.3 Ų44.334%0.33726%0.258SS..Hα-helixtrans-63.9-40.8177.6-70.2-23.6000111.9L12 K49 L50L12-D53 HydrophobicContact CD2-CB 4.3Å; K49-D53 PolarHBondContact O-N 3.4Å; L50-D53 PolarHBondContact O-N 2.64Å
54I90.7Very high90.5Very high0 Ų050.4 Ų50.40%029%0.291CS..Hα-helixtrans-64.4-41.9173.9-69.9165.4000111.3L12 L50 M51 G57 S58 L60 Y61 M77L12-I54 HydrophobicContact CB-CG1 3.97Å; L12-I54 HydrophobicContact CD1-CG1 3.86Å; L12-I54 HydrophobicContact CG-CG1 4.42Å; L50-I54 HydrophobicContact CD1-CD1 4.13Å; L50-I54 HydrophobicContact CD1-CG1 4.24Å; L50-I54 HydrophobicContact CG-CD1 3.85Å; L50-I54 HydrophobicContact CG-CG1 4.42Å; L50-I54 WeakPolarHBondContact O-CB 3.45Å; L50-I54 WeakPolarHBondContact O-CD1 3.24Å; L50-I54 WeakPolarHBondContact O-CG1 3.27Å; L50-I54 PolarHBondContact O-N 3.36Å; M51-I54 PolarHBondContact O-N 3.42Å; I54-G57 PolarHBondContact O-N 3.41Å; I54-S58 WeakPolarHBondContact CG2-OG 3.48Å; I54-S58 WeakPolarHBondContact O-CB 3.5Å; I54-S58 PolarHBondContact O-N 3.01Å; I54-S58 PolarHBondContact O-OG 3.29Å; I54-L60 HydrophobicContact CG2-CB 3.58Å; I54-L60 HydrophobicContact CG2-CD2 3.8Å; I54-L60 HydrophobicContact CG2-CG 4.34Å; I54-Y61 HydrophobicContact CB-CE2 4.02Å; I54-Y61 HydrophobicContact CD1-CE2 4.17Å; I54-Y61 HydrophobicContact CG2-CD2 4.38Å; I54-Y61 HydrophobicContact CG2-CE2 3.81Å; I54-M77 HydrophobicContact CD1-CB 4.47Å; I54-M77 HydrophobicContact CD1-CE 4.45Å; I54-M77 HydrophobicContact CD1-SD 3.66Å; I54-M77 HydrophobicContact CG1-SD 4.41Å
55D88.9Confident90Very high31 Ų3152.8 Ų52.817%0.16630%0.3CS..Hα-helixtrans-70.5-34.3-179.6-92.6-1.4000113M51 A52 G57 Q59 L60 Y61 S62M51-D55 WeakPolarHBondContact O-CB 3.4Å; M51-D55 PolarHBondContact O-N 2.84Å; A52-D55 PolarHBondContact O-N 3.46Å; D55-G57 PolarHBondContact O-N 3.49Å; D55-Q59 WeakPolarHBondContact O-CA 3.45Å; D55-Q59 PolarHBondContact O-N 3.14Å; D55-L60 PolarHBondContact OD1-N 3.38Å; D55-Y61 WeakPolarHBondContact OD1-CD2 3.33Å; D55-Y61 PolarHBondContact OD1-N 3.22Å; D55-Y61 WeakPolarHBondContact OD2-CB 3.41Å; D55-S62 PolarHBondContact OD1-N 3.33Å; D55-S62 WeakPolarHBondContact OD2-CB 3.35Å; D55-S62 PolarHBondContact OD2-N 3.04Å
56N86.6Confident89.4Confident136 Ų13655 Ų5573%0.72731%0.308SS*.Hα-helixtrans-59.6-33174.7-74.8-29.3000112.5A52A52-N56 WeakPolarHBondContact O-CB 3.37Å; A52-N56 PolarHBondContact O-N 3.29Å; A52-N56 PolarHBondContact O-ND2 3.13Å; A52-N56 VanDerWaalsContact O-ND2 3.16Å
57G81.7Confident88.7Confident61 Ų6157.6 Ų57.663%0.62932%0.319SS*.Hα-helixtrans-94-39.3177.700000114.6I54 D55I54-G57 PolarHBondContact O-N 3.41Å; D55-G57 PolarHBondContact O-N 3.49Å
58S82.5Confident88.1Confident13 Ų1361 Ų619%0.09135%0.354CS..Hα-helixtrans-124.7-14.1-161.881.70000115H9 I54 L60 R65H9-S58 WeakPolarHBondContact NE2-CB 3.41Å; I54-S58 WeakPolarHBondContact CG2-OG 3.48Å; I54-S58 WeakPolarHBondContact O-CB 3.5Å; I54-S58 PolarHBondContact O-N 3.01Å; I54-S58 PolarHBondContact O-OG 3.29Å; S58-L60 PolarHBondContact O-N 3.42Å; S58-L60 WeakPolarHBondContact OG-CB 3.42Å; S58-L60 PolarHBondContact OG-N 3.28Å; S58-R65 PolarHBondContact O-NE 3.29Å; S58-R65 VanDerWaalsContact O-NE 3.15Å; S58-R65 PolarHBondContact O-NH2 3.34Å; S58-R65 PolarHBondContact OG-NH2 3.27Å
59Q85.8Confident87.6Confident121 Ų12162.8 Ų62.857%0.56536%0.362SS*.  trans47.449.1-171.6-56-179.3-27.200111.4D55 G63D55-Q59 WeakPolarHBondContact O-CA 3.45Å; D55-Q59 PolarHBondContact O-N 3.14Å; Q59-G63 WeakPolarHBondContact O-CA 3.18Å; Q59-G63 PolarHBondContact O-N 3.44Å
60L88.5Confident87.2Confident3 Ų357.2 Ų57.22%0.01634%0.339CS..THydrogen-bonded Turntrans-69.8-42.6-177.4-179.359.6000112.3I54 D55 S58 M70 E74 M77 L78I54-L60 HydrophobicContact CG2-CB 3.58Å; I54-L60 HydrophobicContact CG2-CD2 3.8Å; I54-L60 HydrophobicContact CG2-CG 4.34Å; D55-L60 PolarHBondContact OD1-N 3.38Å; S58-L60 PolarHBondContact O-N 3.42Å; S58-L60 WeakPolarHBondContact OG-CB 3.42Å; S58-L60 PolarHBondContact OG-N 3.28Å; L60-M70 HydrophobicContact CD1-CE 3.73Å; L60-M70 HydrophobicContact CD1-SD 3.98Å; L60-E74 HydrophobicContact CD1-CB 3.89Å; L60-E74 HydrophobicContact CD2-CB 4.35Å; L60-M77 HydrophobicContact CD2-CB 3.7Å; L60-M77 HydrophobicContact CD2-CE 4.04Å; L60-L78 HydrophobicContact CD1-CD2 3.8Å; L60-L78 HydrophobicContact CD1-CG 4.44Å; L60-L78 HydrophobicContact CD2-CD2 4.38Å; L60-L78 HydrophobicContact CG-CD2 3.83Å
61Y85.8Confident86.9Confident16 Ų1662.1 Ų62.16%0.06336%0.36CS..THydrogen-bonded Turntrans-95.3-28.9-178.6-48.5-84.6000111.9M51 I54 D55 M77 A80 P81 L113M51-Y61 HydrophobicContact CB-CD2 4.07Å; M51-Y61 HydrophobicContact CB-CE2 3.85Å; M51-Y61 HydrophobicContact CE-CD1 3.98Å; M51-Y61 HydrophobicContact CE-CD2 4.32Å; M51-Y61 HydrophobicContact CE-CE1 4.28Å; M51-Y61 HydrophobicContact CE-CG 4.01Å; M51-Y61 HydrophobicContact CG-CD2 4.18Å; M51-Y61 HydrophobicContact CG-CE1 4.19Å; M51-Y61 HydrophobicContact CG-CE2 3.67Å; I54-Y61 HydrophobicContact CB-CE2 4.02Å; I54-Y61 HydrophobicContact CD1-CE2 4.17Å; I54-Y61 HydrophobicContact CG2-CD2 4.38Å; I54-Y61 HydrophobicContact CG2-CE2 3.81Å; D55-Y61 WeakPolarHBondContact OD1-CD2 3.33Å; D55-Y61 PolarHBondContact OD1-N 3.22Å; D55-Y61 WeakPolarHBondContact OD2-CB 3.41Å; Y61-M77 WeakPolarHBondContact CE1-O 3.49Å; Y61-M77 PolarHBondContact OH-O 2.9Å; Y61-A80 HydrophobicContact CE1-CB 4.03Å; Y61-A80 WeakPolarHBondContact OH-CB 3.38Å; Y61-P81 HydrophobicContact CD1-CG 4.38Å; Y61-P81 HydrophobicContact CE1-CG 4.49Å; Y61-L113 HydrophobicContact CD1-CD1 3.83Å; Y61-L113 WeakPolarHBondContact O-CD2 3.38Å
62S85.6Confident86.5Confident79 Ų7966.6 Ų66.655%0.55238%0.384SS*.THydrogen-bonded Turntrans-99.1-12.9179.9740000115.2D55D55-S62 PolarHBondContact OD1-N 3.33Å; D55-S62 WeakPolarHBondContact OD2-CB 3.35Å; D55-S62 PolarHBondContact OD2-N 3.04Å
63G83.3Confident86.4Confident17 Ų1769.5 Ų69.518%0.17538%0.384CS..SBendtrans-86.3175.1-173.600000114.4Q59Q59-G63 WeakPolarHBondContact O-CA 3.18Å; Q59-G63 PolarHBondContact O-N 3.44Å
64N84.3Confident86.2Confident140 Ų14066.9 Ų66.975%0.74937%0.37SS*.  trans-108.125.9179.8-69.7-45.8000112.9
65R85.9Confident86.1Confident51 Ų5169.5 Ų69.519%0.19238%0.384CS..  trans-67.4137180-66-170.1-72.5161.9-6.5109.9S58 E69 M70 E74 L117S58-R65 PolarHBondContact O-NE 3.29Å; S58-R65 VanDerWaalsContact O-NE 3.15Å; S58-R65 PolarHBondContact O-NH2 3.34Å; S58-R65 PolarHBondContact OG-NH2 3.27Å; R65-E69 HydrophobicContact CB-CB 4.43Å; R65-M70 HydrophobicContact CB-CE 3.8Å; R65-M70 HydrophobicContact CB-CG 4.47Å; R65-E74 IonicContact CZ-OE1 3.74Å; R65-E74 IonicContact NH1-OE1 2.68Å; R65-E74 PolarHBondContact NH1-OE1 2.87Å; R65-E74 IonicContact NH1-OE2 3.54Å; R65-E74 IonicContact NH2-OE1 2.7Å; R65-E74 PolarHBondContact NH2-OE1 3.37Å; R65-E74 VanDerWaalsContact NH2-OE1 3.12Å; R65-L117 WeakPolarHBondContact O-CD2 3.46Å
66T85.3Confident86.2Confident76 Ų7673.6 Ų73.647%0.46640%0.397SS..  trans-79.1159.2172.168.40000110.5G68 E69T66-G68 PolarHBondContact O-N 3.48Å; T66-E69 WeakPolarHBondContact CB-OE2 3.32Å; T66-E69 PolarHBondContact N-OE2 2.94Å; T66-E69 PolarHBondContact O-N 3.03Å; T66-E69 PolarHBondContact OG1-OE2 2.54Å
67K83.2Confident86.4Confident117 Ų11767.2 Ų67.251%0.50936%0.363SS..THydrogen-bonded Turntrans-56.3-24.1176.468.5176.3176.6-171.90114.2E69 L117K67-E69 VanDerWaalsContact C-N 3.34Å; K67-L117 HydrophobicContact CB-CB 4.4Å; K67-L117 HydrophobicContact CB-CD2 4.42Å; K67-L117 WeakPolarHBondContact CD-O 3.33Å
68G84.8Confident87Confident71 Ų7164.3 Ų64.373%0.73233%0.333SS*.THydrogen-bonded Turntrans-78.4-18.9179.200000113.6T66T66-G68 PolarHBondContact O-N 3.48Å
69E86.6Confident87.5Confident120 Ų12068.4 Ų68.456%0.56135%0.349SS*.THydrogen-bonded Turntrans-91.9-7.5178-67.3162133.500112.2R65 T66 K67R65-E69 HydrophobicContact CB-CB 4.43Å; T66-E69 WeakPolarHBondContact CB-OE2 3.32Å; T66-E69 PolarHBondContact N-OE2 2.94Å; T66-E69 PolarHBondContact O-N 3.03Å; T66-E69 PolarHBondContact OG1-OE2 2.54Å; K67-E69 VanDerWaalsContact C-N 3.34Å
70M86.9Confident88Confident21 Ų2162.7 Ų62.710%0.10332%0.323CS..SBendtrans-98.6137.7-177.3-65.8-177.7174.200111.8L60 R65 E74 L75 L78 L117L60-M70 HydrophobicContact CD1-CE 3.73Å; L60-M70 HydrophobicContact CD1-SD 3.98Å; R65-M70 HydrophobicContact CB-CE 3.8Å; R65-M70 HydrophobicContact CB-CG 4.47Å; M70-E74 WeakPolarHBondContact CA-OE2 3.45Å; M70-E74 HydrophobicContact CB-CB 4.34Å; M70-L75 HydrophobicContact CB-CD2 4.02Å; M70-L75 HydrophobicContact CB-CG 4.05Å; M70-L75 HydrophobicContact SD-CD2 3.83Å; M70-L78 HydrophobicContact SD-CD1 4.32Å; M70-L117 HydrophobicContact CE-CD1 4.19Å; M70-L117 HydrophobicContact CE-CD2 3.66Å; M70-L117 HydrophobicContact SD-CD1 3.92Å; M70-L117 HydrophobicContact SD-CD2 3.83Å
71K88.1Confident88.3Confident104 Ų10462.5 Ų62.545%0.45232%0.322SS..  trans-73.8156168.5-63.6174.8-176.6172.50110D7 R73 E74 L75D7-K71 IonicContact OD1-NZ 3.36Å; D7-K71 PolarHBondContact OD1-NZ 2.86Å; D7-K71 WeakPolarHBondContact OD2-CD 3.13Å; D7-K71 IonicContact OD2-NZ 3.12Å; D7-K71 PolarHBondContact OD2-NZ 2.68Å; K71-R73 PolarHBondContact O-N 2.88Å; K71-R73 VanDerWaalsContact O-N 3.1Å; K71-E74 HydrophobicContact CB-CG 4.33Å; K71-E74 PolarHBondContact N-OE2 3.14Å; K71-E74 WeakPolarHBondContact O-CB 3.33Å; K71-E74 PolarHBondContact O-N 2.95Å; K71-L75 PolarHBondContact O-N 3.18Å
72L87.3Confident88.8Confident111 Ų11162.2 Ų62.258%0.58132%0.323SS*.Hα-helixtrans-53.7-35.6176.817961.3000113L75 R76L72-L75 PolarHBondContact O-N 3.31Å; L72-R76 WeakPolarHBondContact O-CG 3.44Å; L72-R76 PolarHBondContact O-N 3.1Å; L72-R76 VanDerWaalsContact O-N 3.14Å
73R89.6Confident89.3Confident108 Ų10859.6 Ų59.641%0.40830%0.301SS..Hα-helixtrans-64-44.4177-72.9-177.6179.8178.5-1.8111.7Y13 K71 R76 M77Y13-R73 HydrophobicContact CD1-CB 4.41Å; Y13-R73 HydrophobicContact CD1-CG 3.93Å; Y13-R73 HydrophobicContact CD2-CB 3.48Å; Y13-R73 VanDerWaalsContact CD2-CB 3.48Å; Y13-R73 HydrophobicContact CD2-CG 3.82Å; Y13-R73 HydrophobicContact CE1-CG 3.98Å; Y13-R73 HydrophobicContact CE2-CB 3.79Å; Y13-R73 HydrophobicContact CE2-CG 3.85Å; Y13-R73 HydrophobicContact CG-CB 3.82Å; Y13-R73 HydrophobicContact CG-CG 3.86Å; K71-R73 PolarHBondContact O-N 2.88Å; K71-R73 VanDerWaalsContact O-N 3.1Å; R73-R76 WeakPolarHBondContact O-CB 3.41Å; R73-R76 PolarHBondContact O-N 3.1Å; R73-M77 WeakPolarHBondContact O-CG 3.49Å; R73-M77 PolarHBondContact O-N 3.18Å; R73-M77 VanDerWaalsContact O-N 3.14Å
74E89.7Confident90Very high9 Ų958.8 Ų58.84%0.04229%0.293CS..Hα-helixtrans-63.6-44.3176.2-61.5177.7113.300111.3L60 R65 M70 K71 R76 M77 L78L60-E74 HydrophobicContact CD1-CB 3.89Å; L60-E74 HydrophobicContact CD2-CB 4.35Å; R65-E74 IonicContact CZ-OE1 3.74Å; R65-E74 IonicContact NH1-OE1 2.68Å; R65-E74 PolarHBondContact NH1-OE1 2.87Å; R65-E74 IonicContact NH1-OE2 3.54Å; R65-E74 IonicContact NH2-OE1 2.7Å; R65-E74 PolarHBondContact NH2-OE1 3.37Å; R65-E74 VanDerWaalsContact NH2-OE1 3.12Å; M70-E74 WeakPolarHBondContact CA-OE2 3.45Å; M70-E74 HydrophobicContact CB-CB 4.34Å; K71-E74 HydrophobicContact CB-CG 4.33Å; K71-E74 PolarHBondContact N-OE2 3.14Å; K71-E74 WeakPolarHBondContact O-CB 3.33Å; K71-E74 PolarHBondContact O-N 2.95Å; E74-R76 PolarHBondContact O-N 2.87Å; E74-M77 HydrophobicContact CB-CE 4.35Å; E74-M77 HydrophobicContact CG-CE 4.03Å; E74-M77 PolarHBondContact O-N 2.93Å; E74-L78 PolarHBondContact O-N 3.04Å
75L88.2Confident90.5Very high54 Ų5452.2 Ų52.228%0.28326%0.258SS..Hα-helixtrans-57.3-33.4174.7-69.4174000113M70 K71 L72 L78 I119M70-L75 HydrophobicContact CB-CD2 4.02Å; M70-L75 HydrophobicContact CB-CG 4.05Å; M70-L75 HydrophobicContact SD-CD2 3.83Å; K71-L75 PolarHBondContact O-N 3.18Å; L72-L75 PolarHBondContact O-N 3.31Å; L75-L78 HydrophobicContact CD2-CD1 3.95Å; L75-L78 WeakPolarHBondContact O-CB 3.32Å; L75-I119 HydrophobicContact CD2-CD1 4.27Å
76R89.9Confident90.9Very high118 Ų11853.1 Ų53.145%0.44527%0.265SS..Hα-helixtrans-72.6-37.1175.8-72.3172.3177.4-172.6-3112.3Y13 F16 L72 R73 E74 L78 K79Y13-R76 HydrophobicContact CE2-CB 4.07Å; Y13-R76 WeakPolarHBondContact OH-CD 3.45Å; Y13-R76 PolarHBondContact OH-NH1 2.89Å; F16-R76 WeakPolarHBondContact CE1-O 3.19Å; F16-R76 WeakPolarHBondContact CZ-O 3.43Å; L72-R76 WeakPolarHBondContact O-CG 3.44Å; L72-R76 PolarHBondContact O-N 3.1Å; L72-R76 VanDerWaalsContact O-N 3.14Å; R73-R76 WeakPolarHBondContact O-CB 3.41Å; R73-R76 PolarHBondContact O-N 3.1Å; E74-R76 PolarHBondContact O-N 2.87Å; R76-L78 PolarHBondContact O-N 3.05Å; R76-K79 WeakPolarHBondContact O-CG 3.45Å; R76-K79 PolarHBondContact O-N 3.41Å
77M92.7Very high91.4Very high1 Ų149.5 Ų49.51%0.00524%0.243CC..Hα-helixtrans-66-21.3178.7-65.6-171.3-64.900112.8Y13 F16 I54 L60 Y61 R73 E74 K79 A80Y13-M77 HydrophobicContact CD2-CG 3.91Å; Y13-M77 HydrophobicContact CD2-SD 4.13Å; F16-M77 HydrophobicContact CB-CG 3.91Å; F16-M77 HydrophobicContact CB-SD 4.1Å; F16-M77 HydrophobicContact CD1-CB 4.36Å; F16-M77 HydrophobicContact CD1-CG 3.71Å; F16-M77 HydrophobicContact CD2-CB 4.22Å; F16-M77 HydrophobicContact CD2-CG 4.11Å; F16-M77 HydrophobicContact CE1-CG 4.31Å; F16-M77 HydrophobicContact CE2-CB 4.43Å; F16-M77 HydrophobicContact CG-CB 4.2Å; F16-M77 HydrophobicContact CG-CG 3.6Å; F16-M77 HydrophobicContact CG-SD 4.42Å; I54-M77 HydrophobicContact CD1-CB 4.47Å; I54-M77 HydrophobicContact CD1-CE 4.45Å; I54-M77 HydrophobicContact CD1-SD 3.66Å; I54-M77 HydrophobicContact CG1-SD 4.41Å; L60-M77 HydrophobicContact CD2-CB 3.7Å; L60-M77 HydrophobicContact CD2-CE 4.04Å; Y61-M77 WeakPolarHBondContact CE1-O 3.49Å; Y61-M77 PolarHBondContact OH-O 2.9Å; R73-M77 WeakPolarHBondContact O-CG 3.49Å; R73-M77 PolarHBondContact O-N 3.18Å; R73-M77 VanDerWaalsContact O-N 3.14Å; E74-M77 HydrophobicContact CB-CE 4.35Å; E74-M77 HydrophobicContact CG-CE 4.03Å; E74-M77 PolarHBondContact O-N 2.93Å; M77-K79 PolarHBondContact O-N 3.33Å; M77-A80 PolarHBondContact O-N 3.39Å
78L92.4Very high91.9Very high1 Ų144.3 Ų44.31%0.00522%0.22CC..THydrogen-bonded Turntrans-56.7-16.4174.3-64.4174.4000114.4L60 M70 E74 L75 R76 A80 P81 Y110 L113 L117 I119L60-L78 HydrophobicContact CD1-CD2 3.8Å; L60-L78 HydrophobicContact CD1-CG 4.44Å; L60-L78 HydrophobicContact CD2-CD2 4.38Å; L60-L78 HydrophobicContact CG-CD2 3.83Å; M70-L78 HydrophobicContact SD-CD1 4.32Å; E74-L78 PolarHBondContact O-N 3.04Å; L75-L78 HydrophobicContact CD2-CD1 3.95Å; L75-L78 WeakPolarHBondContact O-CB 3.32Å; R76-L78 PolarHBondContact O-N 3.05Å; L78-A80 VanDerWaalsContact C-N 3.26Å; L78-A80 PolarHBondContact O-N 3.38Å; L78-P81 VanDerWaalsContact O-CD 3.3Å; L78-P81 WeakPolarHBondContact O-CD 3.3Å; L78-Y110 WeakPolarHBondContact O-CD2 3.15Å; L78-Y110 WeakPolarHBondContact O-CE2 3.41Å; L78-L113 HydrophobicContact CD2-CD1 4.47Å; L78-L117 HydrophobicContact CD1-CD1 3.24Å; L78-L117 HydrophobicContact CD2-CD1 4.38Å; L78-L117 HydrophobicContact CG-CD1 4.44Å; L78-I119 HydrophobicContact CD1-CD1 4.45Å
79K93.4Very high92.3Very high98 Ų9846.5 Ų46.543%0.42621%0.213SC..THydrogen-bonded Turntrans-74.4-9.9176.5-61178.5-179.5-174.70114.2F16 R76 M77 P81 A82 Y83 Y110F16-K79 HydrophobicContact CZ-CB 4.23Å; R76-K79 WeakPolarHBondContact O-CG 3.45Å; R76-K79 PolarHBondContact O-N 3.41Å; M77-K79 PolarHBondContact O-N 3.33Å; K79-P81 VanDerWaalsContact C-CD 3.5Å; K79-A82 WeakPolarHBondContact O-CA 3.37Å; K79-A82 WeakPolarHBondContact O-CB 3.22Å; K79-A82 PolarHBondContact O-N 3.35Å; K79-Y83 HydrophobicContact CB-CD2 4.3Å; K79-Y83 HydrophobicContact CB-CE2 4.13Å; K79-Y83 PolarHBondContact O-N 3.18Å; K79-Y83 VanDerWaalsContact O-N 3.1Å; K79-Y110 HydrophobicContact CG-CE2 4.34Å
80A96Very high92.5Very high1 Ų141.5 Ų41.51%0.00819%0.19CC..Hα-helixtrans-50.3-47.2-176.600000114.1F16 F47 M51 Y61 M77 L78 A82 Y83 I84F16-A80 HydrophobicContact CD2-CB 4.47Å; F16-A80 HydrophobicContact CE2-CB 3.8Å; F47-A80 HydrophobicContact CD1-CB 4.05Å; M51-A80 HydrophobicContact CG-CB 3.51Å; M51-A80 HydrophobicContact SD-CB 3.54Å; M51-A80 VanDerWaalsContact SD-CB 3.54Å; Y61-A80 HydrophobicContact CE1-CB 4.03Å; Y61-A80 WeakPolarHBondContact OH-CB 3.38Å; M77-A80 PolarHBondContact O-N 3.39Å; L78-A80 VanDerWaalsContact C-N 3.26Å; L78-A80 PolarHBondContact O-N 3.38Å; A80-A82 VanDerWaalsContact C-N 3.27Å; A80-A82 PolarHBondContact O-N 3.49Å; A80-Y83 PolarHBondContact O-N 3.41Å; A80-I84 PolarHBondContact O-N 3Å; A80-I84 VanDerWaalsContact O-N 3.14Å
81P96Very high92.8Very high0 Ų041 Ų410%019%0.191CC..Hα-helixtrans-63.7-33.4177.4-17.230.5000112.3M51 Y61 L78 K79 I84 G85 Y106 Q109 L113M51-P81 HydrophobicContact CE-CG 3.8Å; M51-P81 HydrophobicContact SD-CG 4.15Å; Y61-P81 HydrophobicContact CD1-CG 4.38Å; Y61-P81 HydrophobicContact CE1-CG 4.49Å; L78-P81 VanDerWaalsContact O-CD 3.3Å; L78-P81 WeakPolarHBondContact O-CD 3.3Å; K79-P81 VanDerWaalsContact C-CD 3.5Å; P81-I84 PolarHBondContact O-N 3.25Å; P81-G85 PolarHBondContact O-N 2.86Å; P81-Y106 HydrophobicContact CB-CD1 4.17Å; P81-Y106 WeakPolarHBondContact CB-O 3.41Å; P81-Y106 WeakPolarHBondContact O-CB 3.47Å; P81-Q109 HydrophobicContact CB-CB 4.32Å; P81-Q109 HydrophobicContact CB-CG 4.41Å; P81-Q109 HydrophobicContact CG-CG 4.31Å; P81-L113 HydrophobicContact CG-CD1 4.15Å
82A95.5Very high92.9Very high10 Ų1041.4 Ų41.48%0.08320%0.197CC..Hα-helixtrans-66.2-39.5176.600000112K79 A80 G85 M86 M107 Y110K79-A82 WeakPolarHBondContact O-CA 3.37Å; K79-A82 WeakPolarHBondContact O-CB 3.22Å; K79-A82 PolarHBondContact O-N 3.35Å; A80-A82 VanDerWaalsContact C-N 3.27Å; A80-A82 PolarHBondContact O-N 3.49Å; A82-G85 PolarHBondContact O-N 2.63Å; A82-M86 WeakPolarHBondContact O-CB 3.23Å; A82-M86 VanDerWaalsContact O-CG 3.31Å; A82-M86 WeakPolarHBondContact O-CG 3.38Å; A82-M86 PolarHBondContact O-N 2.85Å; A82-M107 HydrophobicContact CB-SD 4.23Å; A82-Y110 HydrophobicContact CB-CD1 3.77Å; A82-Y110 HydrophobicContact CB-CD2 4.24Å; A82-Y110 HydrophobicContact CB-CE1 4.07Å; A82-Y110 HydrophobicContact CB-CG 3.84Å
83Y96.8Very high93.2Very high24 Ų2436.9 Ų36.99%0.09417%0.173CC..Hα-helixtrans-60-48.4173.5-78.3-61.3000111.3F16 A23 D24 I27 F47 K79 A80 G85 M86 L87F16-Y83 HydrophobicContact CZ-CD2 4.27Å; F16-Y83 AromaticContact CZ-CE2 3.97Å; F16-Y83 HydrophobicContact CZ-CE2 3.97Å; A23-Y83 HydrophobicContact CB-CD1 3.55Å; A23-Y83 HydrophobicContact CB-CE1 3.92Å; A23-Y83 HydrophobicContact CB-CG 4.16Å; D24-Y83 VanDerWaalsContact OD1-CE1 3.3Å; D24-Y83 WeakPolarHBondContact OD1-CE1 3.41Å; D24-Y83 PolarHBondContact OD1-OH 3.42Å; D24-Y83 PolarHBondContact OD2-OH 3.06Å; I27-Y83 HydrophobicContact CD1-CD1 4Å; I27-Y83 HydrophobicContact CD1-CE1 4.44Å; F47-Y83 AromaticContact CE1-CD2 3.85Å; F47-Y83 HydrophobicContact CE1-CD2 3.85Å; F47-Y83 HydrophobicContact CE1-CG 4.29Å; F47-Y83 HydrophobicContact CE2-CD2 4.49Å; F47-Y83 HydrophobicContact CE2-CG 4.14Å; F47-Y83 HydrophobicContact CZ-CD1 4.49Å; F47-Y83 AromaticContact CZ-CD2 3.7Å; F47-Y83 HydrophobicContact CZ-CD2 3.7Å; F47-Y83 HydrophobicContact CZ-CE2 4.39Å; F47-Y83 AromaticContact CZ-CG 3.77Å; F47-Y83 HydrophobicContact CZ-CG 3.77Å; K79-Y83 HydrophobicContact CB-CD2 4.3Å; K79-Y83 HydrophobicContact CB-CE2 4.13Å; K79-Y83 PolarHBondContact O-N 3.18Å; K79-Y83 VanDerWaalsContact O-N 3.1Å; A80-Y83 PolarHBondContact O-N 3.41Å; Y83-G85 PolarHBondContact O-N 2.66Å; Y83-M86 PolarHBondContact O-N 3.31Å; Y83-L87 WeakPolarHBondContact O-CD1 3.34Å; Y83-L87 VanDerWaalsContact O-CG 3.26Å; Y83-L87 WeakPolarHBondContact O-CG 3.47Å; Y83-L87 PolarHBondContact O-N 3.47Å
84I96.9Very high93.2Very high0 Ų038 Ų380%019%0.194CC..Hα-helixtrans-59.4-48.3177.2-62.4160.2000110.3F47 E48 M51 A80 P81 M86 L87 M88 Y106F47-I84 HydrophobicContact CB-CD1 3.69Å; F47-I84 HydrophobicContact CB-CG1 3.58Å; F47-I84 HydrophobicContact CG-CG1 4.3Å; E48-I84 HydrophobicContact CG-CD1 3.87Å; M51-I84 HydrophobicContact SD-CD1 3.72Å; A80-I84 PolarHBondContact O-N 3Å; A80-I84 VanDerWaalsContact O-N 3.14Å; P81-I84 PolarHBondContact O-N 3.25Å; I84-M86 VanDerWaalsContact C-N 3.31Å; I84-M86 PolarHBondContact O-N 3.04Å; I84-L87 PolarHBondContact O-N 2.9Å; I84-M88 HydrophobicContact CG2-CE 4.19Å; I84-M88 HydrophobicContact CG2-CG 4.18Å; I84-M88 WeakPolarHBondContact O-CG 3.36Å; I84-M88 PolarHBondContact O-N 2.81Å; I84-Y106 HydrophobicContact CB-CD1 4.15Å; I84-Y106 HydrophobicContact CB-CD2 4.19Å; I84-Y106 HydrophobicContact CB-CE1 4.42Å; I84-Y106 HydrophobicContact CB-CE2 4.42Å; I84-Y106 HydrophobicContact CB-CG 4.05Å; I84-Y106 HydrophobicContact CD1-CD1 4.19Å; I84-Y106 HydrophobicContact CD1-CE1 3.87Å; I84-Y106 HydrophobicContact CG2-CD1 4.05Å; I84-Y106 HydrophobicContact CG2-CD2 3.34Å; I84-Y106 HydrophobicContact CG2-CE1 4.07Å; I84-Y106 HydrophobicContact CG2-CE2 3.33Å; I84-Y106 HydrophobicContact CG2-CG 3.71Å
85G95.3Very high93.2Very high2 Ų241.2 Ų41.22%0.02121%0.212CC..Hα-helixtrans-57.6-41.9178.700000113.1P81 A82 Y83 M89 A103P81-G85 PolarHBondContact O-N 2.86Å; A82-G85 PolarHBondContact O-N 2.63Å; Y83-G85 PolarHBondContact O-N 2.66Å; G85-M89 WeakPolarHBondContact O-CB 3.21Å; G85-M89 PolarHBondContact O-N 3.46Å; G85-A103 VanDerWaalsContact O-CB 3.26Å; G85-A103 WeakPolarHBondContact O-CB 3.23Å
86M95Very high93.3Very high69 Ų6945.1 Ų45.134%0.3423%0.229SC..Hα-helixtrans-67.6-43176.6-71.7-177.4-174.800112.4I27 A82 Y83 I84 M88 M89 I90 M107I27-M86 HydrophobicContact CD1-CB 3.77Å; I27-M86 HydrophobicContact CD1-SD 3.97Å; I27-M86 HydrophobicContact CG1-CB 4.19Å; A82-M86 WeakPolarHBondContact O-CB 3.23Å; A82-M86 VanDerWaalsContact O-CG 3.31Å; A82-M86 WeakPolarHBondContact O-CG 3.38Å; A82-M86 PolarHBondContact O-N 2.85Å; Y83-M86 PolarHBondContact O-N 3.31Å; I84-M86 VanDerWaalsContact C-N 3.31Å; I84-M86 PolarHBondContact O-N 3.04Å; M86-M88 VanDerWaalsContact C-N 3.32Å; M86-M88 PolarHBondContact O-N 3.43Å; M86-M89 WeakPolarHBondContact O-CB 3.5Å; M86-M89 PolarHBondContact O-N 3.2Å; M86-M89 VanDerWaalsContact O-N 3.1Å; M86-I90 WeakPolarHBondContact O-CG1 3.26Å; M86-I90 WeakPolarHBondContact O-CG2 3.47Å; M86-I90 PolarHBondContact O-N 3.5Å; M86-I90 VanDerWaalsContact O-N 3.08Å; M86-M107 HydrophobicContact CE-CE 4.4Å
87L95.3Very high93.3Very high0 Ų046.4 Ų46.40%024%0.238CC..Hα-helixtrans-60-43.2177.1-70.8163.1000111.4I26 C40 M43 S44 F47 Y83 I84 M89 I90 G91I26-L87 HydrophobicContact CB-CD2 4.32Å; I26-L87 HydrophobicContact CG2-CD2 3.84Å; C40-L87 HydrophobicContact CB-CB 4.3Å; C40-L87 PolarHBondContact SG-O 3Å; C40-L87 VanDerWaalsContact SG-O 3.34Å; M43-L87 HydrophobicContact CB-CD1 3.83Å; M43-L87 HydrophobicContact CB-CD2 4.34Å; M43-L87 HydrophobicContact CG-CD1 3.77Å; M43-L87 HydrophobicContact CG-CD2 4.44Å; S44-L87 WeakPolarHBondContact OG-CB 3.37Å; F47-L87 HydrophobicContact CD2-CD1 4.35Å; F47-L87 HydrophobicContact CE2-CD1 4.41Å; Y83-L87 WeakPolarHBondContact O-CD1 3.34Å; Y83-L87 VanDerWaalsContact O-CG 3.26Å; Y83-L87 WeakPolarHBondContact O-CG 3.47Å; Y83-L87 PolarHBondContact O-N 3.47Å; I84-L87 PolarHBondContact O-N 2.9Å; L87-M89 PolarHBondContact O-N 3.46Å; L87-I90 HydrophobicContact CD2-CD1 4.43Å; L87-I90 WeakPolarHBondContact O-CG1 3.35Å; L87-I90 PolarHBondContact O-N 3.46Å; L87-G91 PolarHBondContact O-N 3.36Å
88M93.8Very high93.3Very high8 Ų850.1 Ų50.14%0.03926%0.255CS..Hα-helixtrans-66.8-23.1176.4-63.7-66172.300113.2L41 S44 I84 M86 F93 Y99 A103L41-M88 HydrophobicContact CD2-CE 4.13Å; L41-M88 HydrophobicContact CD2-SD 4.48Å; S44-M88 VanDerWaalsContact CB-CE 3.42Å; S44-M88 WeakPolarHBondContact OG-CE 3.47Å; I84-M88 HydrophobicContact CG2-CE 4.19Å; I84-M88 HydrophobicContact CG2-CG 4.18Å; I84-M88 WeakPolarHBondContact O-CG 3.36Å; I84-M88 PolarHBondContact O-N 2.81Å; M86-M88 VanDerWaalsContact C-N 3.32Å; M86-M88 PolarHBondContact O-N 3.43Å; M88-F93 VanDerWaalsContact O-CE2 3.23Å; M88-F93 WeakPolarHBondContact O-CE2 3.36Å; M88-F93 HydrophobicContact SD-CZ 4.22Å; M88-Y99 HydrophobicContact SD-CD1 3.5Å; M88-Y99 WeakPolarHBondContact SD-CD1 3.5Å; M88-Y99 HydrophobicContact SD-CE1 3.88Å; M88-A103 HydrophobicContact CB-CB 3.81Å
89M92.5Very high93.2Very high118 Ų11851.7 Ų51.758%0.58126%0.261SS*.Hα-helixtrans-84.8-30.1177.5-175.7-177.865.700113.1G85 M86 L87 L100 A103G85-M89 WeakPolarHBondContact O-CB 3.21Å; G85-M89 PolarHBondContact O-N 3.46Å; M86-M89 WeakPolarHBondContact O-CB 3.5Å; M86-M89 PolarHBondContact O-N 3.2Å; M86-M89 VanDerWaalsContact O-N 3.1Å; L87-M89 PolarHBondContact O-N 3.46Å; M89-L100 HydrophobicContact CG-CD2 4.22Å; M89-A103 HydrophobicContact CB-CB 4.27Å
90I91.9Very high93.1Very high15 Ų1550.1 Ų50.18%0.07726%0.257CS..Hα-helixtrans-95.6-23.6-172.965.8178.3000114.2I26 I27 R30 V35 M86 L87I26-I90 HydrophobicContact CG2-CD1 4.07Å; I27-I90 HydrophobicContact CB-CD1 4.3Å; I27-I90 HydrophobicContact CG1-CD1 3.84Å; R30-I90 HydrophobicContact CB-CB 4.24Å; R30-I90 HydrophobicContact CB-CD1 4.42Å; R30-I90 HydrophobicContact CB-CG2 4.33Å; R30-I90 WeakPolarHBondContact CD-O 3.22Å; R30-I90 HydrophobicContact CG-CB 3.81Å; R30-I90 HydrophobicContact CG-CG2 3.97Å; R30-I90 PolarHBondContact NE-O 2.87Å; V35-I90 HydrophobicContact CG2-CD1 4.37Å; M86-I90 WeakPolarHBondContact O-CG1 3.26Å; M86-I90 WeakPolarHBondContact O-CG2 3.47Å; M86-I90 PolarHBondContact O-N 3.5Å; M86-I90 VanDerWaalsContact O-N 3.08Å; L87-I90 HydrophobicContact CD2-CD1 4.43Å; L87-I90 WeakPolarHBondContact O-CG1 3.35Å; L87-I90 PolarHBondContact O-N 3.46Å
91G91.8Very high92.9Very high11 Ų1155.4 Ų55.411%0.11328%0.281CS..EExtended strand (participates in β ladder)trans-65.7145.8-177.300000112.8C40 L87 F93C40-G91 VanDerWaalsContact SG-CA 3.57Å; L87-G91 PolarHBondContact O-N 3.36Å; G91-F93 VanDerWaalsContact C-N 3.32Å; G91-F93 VanDerWaalsContact CA-CE2 3.41Å; G91-F93 WeakPolarHBondContact O-CD2 3.3Å; G91-F93 PolarHBondContact O-N 3.39Å
92D91.8Very high92.6Very high111 Ų11159 Ų5959%0.59430%0.297SS*.EExtended strand (participates in β ladder)trans-81.577.9175.9-168.820.3000110.6V35 A37V35-D92 PolarHBondContact O-N 2.69Å; A37-D92 WeakPolarHBondContact CB-O 3.42Å
93F92.1Very high92.6Very high16 Ų1658.8 Ų58.87%0.0730%0.295CS..  trans-89.8139.8-174.3-62.1-74.9000112.7A37 C40 L41 M88 G91 D95 Y99A37-F93 HydrophobicContact CB-CD1 3.35Å; A37-F93 HydrophobicContact CB-CE1 3.53Å; A37-F93 HydrophobicContact CB-CG 4.13Å; A37-F93 HydrophobicContact CB-CZ 4.44Å; C40-F93 HydrophobicContact CB-CE1 4.49Å; C40-F93 HydrophobicContact CB-CZ 3.74Å; L41-F93 HydrophobicContact CD1-CE1 4.33Å; L41-F93 HydrophobicContact CD2-CE1 4.29Å; L41-F93 HydrophobicContact CG-CE1 3.95Å; M88-F93 VanDerWaalsContact O-CE2 3.23Å; M88-F93 WeakPolarHBondContact O-CE2 3.36Å; M88-F93 HydrophobicContact SD-CZ 4.22Å; G91-F93 VanDerWaalsContact C-N 3.32Å; G91-F93 VanDerWaalsContact CA-CE2 3.41Å; G91-F93 WeakPolarHBondContact O-CD2 3.3Å; G91-F93 PolarHBondContact O-N 3.39Å; F93-D95 VanDerWaalsContact C-N 3.27Å; F93-D95 PolarHBondContact O-N 2.94Å; F93-Y99 HydrophobicContact CB-CD2 3.31Å; F93-Y99 HydrophobicContact CB-CE2 3.82Å; F93-Y99 HydrophobicContact CB-CG 3.85Å; F93-Y99 AromaticContact CD1-CD1 3.75Å; F93-Y99 HydrophobicContact CD1-CD1 3.75Å; F93-Y99 AromaticContact CD1-CD2 3.52Å; F93-Y99 HydrophobicContact CD1-CD2 3.52Å; F93-Y99 AromaticContact CD1-CE1 3.72Å; F93-Y99 HydrophobicContact CD1-CE1 3.72Å; F93-Y99 AromaticContact CD1-CE2 3.48Å; F93-Y99 HydrophobicContact CD1-CE2 3.48Å; F93-Y99 VanDerWaalsContact CD1-CE2 3.48Å; F93-Y99 AromaticContact CD1-CG 3.64Å; F93-Y99 HydrophobicContact CD1-CG 3.64Å; F93-Y99 AromaticContact CD1-CZ 3.56Å; F93-Y99 HydrophobicContact CD2-CD1 4.13Å; F93-Y99 HydrophobicContact CD2-CD2 4.05Å; F93-Y99 AromaticContact CD2-CG 3.66Å; F93-Y99 HydrophobicContact CD2-CG 3.66Å; F93-Y99 AromaticContact CE1-CD1 3.73Å; F93-Y99 HydrophobicContact CE1-CD1 3.73Å; F93-Y99 HydrophobicContact CE1-CD2 4.34Å; F93-Y99 AromaticContact CE1-CE1 3.65Å; F93-Y99 HydrophobicContact CE1-CE1 3.65Å; F93-Y99 HydrophobicContact CE1-CE2 4.27Å; F93-Y99 HydrophobicContact CE1-CG 4.08Å; F93-Y99 AromaticContact CE1-CZ 3.91Å; F93-Y99 HydrophobicContact CE2-CD1 4.12Å; F93-Y99 HydrophobicContact CE2-CG 4.1Å; F93-Y99 AromaticContact CG-CD1 3.96Å; F93-Y99 HydrophobicContact CG-CD1 3.96Å; F93-Y99 AromaticContact CG-CD2 3.35Å; F93-Y99 HydrophobicContact CG-CD2 3.35Å; F93-Y99 HydrophobicContact CG-CE1 4.37Å; F93-Y99 AromaticContact CG-CE2 3.81Å; F93-Y99 HydrophobicContact CG-CE2 3.81Å; F93-Y99 AromaticContact CG-CG 3.42Å; F93-Y99 HydrophobicContact CG-CG 3.42Å; F93-Y99 VanDerWaalsContact CG-CG 3.42Å; F93-Y99 AromaticContact CZ-CD1 3.92Å; F93-Y99 HydrophobicContact CZ-CD1 3.92Å; F93-Y99 HydrophobicContact CZ-CE1 4.23Å; F93-Y99 HydrophobicContact CZ-CG 4.29Å
94P89.8Confident92.2Very high132 Ų13260.8 Ų60.886%0.85731%0.307SS*.THydrogen-bonded Turntrans-66.6-27.5175.226.5-33.9000113.3
95D90.8Very high92Very high77 Ų7763.5 Ų63.541%0.41233%0.33SS..THydrogen-bonded Turntrans-111.366.4174-163.4-23.9000110.7F93 K97 E98 Y99F93-D95 VanDerWaalsContact C-N 3.27Å; F93-D95 PolarHBondContact O-N 2.94Å; D95-K97 PolarHBondContact O-N 2.87Å; D95-E98 HydrophobicContact CB-CB 4.11Å; D95-E98 PolarHBondContact O-N 3.3Å; D95-E98 VanDerWaalsContact O-N 3.1Å; D95-E98 PolarHBondContact OD1-N 3.49Å; D95-E98 VanDerWaalsContact OD1-N 3.16Å; D95-Y99 VanDerWaalsContact O-CD2 3.26Å; D95-Y99 WeakPolarHBondContact O-CD2 3.31Å; D95-Y99 PolarHBondContact O-N 2.83Å
96E89.2Confident91.9Very high136 Ų13665.8 Ų65.864%0.63634%0.338SS*.Hα-helixtrans-49.1-38.1-176.5-172.7-177.5-17900112.5Y99 L100E96-Y99 PolarHBondContact O-N 3.13Å; E96-L100 HydrophobicContact CG-CD1 3.91Å; E96-L100 HydrophobicContact CG-CG 4.29Å; E96-L100 WeakPolarHBondContact O-CB 3.42Å; E96-L100 WeakPolarHBondContact O-CG 3.24Å; E96-L100 PolarHBondContact O-N 3.38Å
97K90.2Very high91.8Very high145 Ų14565.7 Ų65.763%0.6334%0.338SS*.Hα-helixtrans-65.9-48.5-179.4-173-174.2172-162.60111.9D95 Y99 L100 E101D95-K97 PolarHBondContact O-N 2.87Å; K97-Y99 VanDerWaalsContact C-N 3.28Å; K97-Y99 PolarHBondContact O-N 2.66Å; K97-L100 PolarHBondContact O-N 3.21Å; K97-E101 WeakPolarHBondContact CE-OE1 3.5Å; K97-E101 IonicContact NZ-OE1 3.8Å; K97-E101 WeakPolarHBondContact O-CG 3.45Å; K97-E101 PolarHBondContact O-N 3.32Å
98E91.9Very high91.6Very high78 Ų7868 Ų6836%0.36435%0.349SS..Hα-helixtrans-58.4-43178.2-172.8-168.5157.100111D95 E101 K102D95-E98 HydrophobicContact CB-CB 4.11Å; D95-E98 PolarHBondContact O-N 3.3Å; D95-E98 VanDerWaalsContact O-N 3.1Å; D95-E98 PolarHBondContact OD1-N 3.49Å; D95-E98 VanDerWaalsContact OD1-N 3.16Å; E98-E101 PolarHBondContact O-N 2.96Å; E98-K102 WeakPolarHBondContact O-CG 3.14Å; E98-K102 PolarHBondContact O-N 2.92Å; E98-K102 WeakPolarHBondContact OE1-CE 3.38Å; E98-K102 IonicContact OE1-NZ 2.66Å; E98-K102 PolarHBondContact OE1-NZ 3.47Å
99Y91.1Very high91.4Very high35 Ų3570.9 Ų70.914%0.13736%0.363CS..Hα-helixtrans-72.5-33.9-178.7-75.8-76000113.3L41 M88 F93 D95 E96 K97 K102 A103L41-Y99 HydrophobicContact CD2-CE1 3.75Å; M88-Y99 HydrophobicContact SD-CD1 3.5Å; M88-Y99 WeakPolarHBondContact SD-CD1 3.5Å; M88-Y99 HydrophobicContact SD-CE1 3.88Å; F93-Y99 HydrophobicContact CB-CD2 3.31Å; F93-Y99 HydrophobicContact CB-CE2 3.82Å; F93-Y99 HydrophobicContact CB-CG 3.85Å; F93-Y99 AromaticContact CD1-CD1 3.75Å; F93-Y99 HydrophobicContact CD1-CD1 3.75Å; F93-Y99 AromaticContact CD1-CD2 3.52Å; F93-Y99 HydrophobicContact CD1-CD2 3.52Å; F93-Y99 AromaticContact CD1-CE1 3.72Å; F93-Y99 HydrophobicContact CD1-CE1 3.72Å; F93-Y99 AromaticContact CD1-CE2 3.48Å; F93-Y99 HydrophobicContact CD1-CE2 3.48Å; F93-Y99 VanDerWaalsContact CD1-CE2 3.48Å; F93-Y99 AromaticContact CD1-CG 3.64Å; F93-Y99 HydrophobicContact CD1-CG 3.64Å; F93-Y99 AromaticContact CD1-CZ 3.56Å; F93-Y99 HydrophobicContact CD2-CD1 4.13Å; F93-Y99 HydrophobicContact CD2-CD2 4.05Å; F93-Y99 AromaticContact CD2-CG 3.66Å; F93-Y99 HydrophobicContact CD2-CG 3.66Å; F93-Y99 AromaticContact CE1-CD1 3.73Å; F93-Y99 HydrophobicContact CE1-CD1 3.73Å; F93-Y99 HydrophobicContact CE1-CD2 4.34Å; F93-Y99 AromaticContact CE1-CE1 3.65Å; F93-Y99 HydrophobicContact CE1-CE1 3.65Å; F93-Y99 HydrophobicContact CE1-CE2 4.27Å; F93-Y99 HydrophobicContact CE1-CG 4.08Å; F93-Y99 AromaticContact CE1-CZ 3.91Å; F93-Y99 HydrophobicContact CE2-CD1 4.12Å; F93-Y99 HydrophobicContact CE2-CG 4.1Å; F93-Y99 AromaticContact CG-CD1 3.96Å; F93-Y99 HydrophobicContact CG-CD1 3.96Å; F93-Y99 AromaticContact CG-CD2 3.35Å; F93-Y99 HydrophobicContact CG-CD2 3.35Å; F93-Y99 HydrophobicContact CG-CE1 4.37Å; F93-Y99 AromaticContact CG-CE2 3.81Å; F93-Y99 HydrophobicContact CG-CE2 3.81Å; F93-Y99 AromaticContact CG-CG 3.42Å; F93-Y99 HydrophobicContact CG-CG 3.42Å; F93-Y99 VanDerWaalsContact CG-CG 3.42Å; F93-Y99 AromaticContact CZ-CD1 3.92Å; F93-Y99 HydrophobicContact CZ-CD1 3.92Å; F93-Y99 HydrophobicContact CZ-CE1 4.23Å; F93-Y99 HydrophobicContact CZ-CG 4.29Å; D95-Y99 VanDerWaalsContact O-CD2 3.26Å; D95-Y99 WeakPolarHBondContact O-CD2 3.31Å; D95-Y99 PolarHBondContact O-N 2.83Å; E96-Y99 PolarHBondContact O-N 3.13Å; K97-Y99 VanDerWaalsContact C-N 3.28Å; K97-Y99 PolarHBondContact O-N 2.66Å; Y99-K102 HydrophobicContact CD1-CD 4.33Å; Y99-K102 PolarHBondContact O-N 3.48Å; Y99-A103 WeakPolarHBondContact O-CB 3.26Å; Y99-A103 PolarHBondContact O-N 3.46Å
100L91.3Very high91.4Very high65 Ų6567.8 Ų67.834%0.3435%0.345SS..Hα-helixtrans-65.7-39.3170-72.7174.6000112M89 E96 K97 A103 I104M89-L100 HydrophobicContact CG-CD2 4.22Å; E96-L100 HydrophobicContact CG-CD1 3.91Å; E96-L100 HydrophobicContact CG-CG 4.29Å; E96-L100 WeakPolarHBondContact O-CB 3.42Å; E96-L100 WeakPolarHBondContact O-CG 3.24Å; E96-L100 PolarHBondContact O-N 3.38Å; K97-L100 PolarHBondContact O-N 3.21Å; L100-A103 WeakPolarHBondContact O-CB 3.47Å; L100-A103 PolarHBondContact O-N 3.1Å; L100-I104 WeakPolarHBondContact O-CD1 3.44Å; L100-I104 VanDerWaalsContact O-CG1 3.23Å; L100-I104 WeakPolarHBondContact O-CG1 3.31Å; L100-I104 PolarHBondContact O-N 3.39Å
101E91Very high91.3Very high111 Ų11168.8 Ų68.852%0.51935%0.35SS..Hα-helixtrans-62.6-42.9174.2-73.8176.9174.600111.4K97 E98 I104 A105K97-E101 WeakPolarHBondContact CE-OE1 3.5Å; K97-E101 IonicContact NZ-OE1 3.8Å; K97-E101 WeakPolarHBondContact O-CG 3.45Å; K97-E101 PolarHBondContact O-N 3.32Å; E98-E101 PolarHBondContact O-N 2.96Å; E101-I104 PolarHBondContact O-N 2.95Å; E101-A105 PolarHBondContact O-N 3.28Å
102K91.5Very high91.1Very high75 Ų7570 Ų7033%0.32636%0.36SS..Hα-helixtrans-62.1-43.7172.2-72176.8-175.2166.50112.2E98 Y99 I104 A105 Y106E98-K102 WeakPolarHBondContact O-CG 3.14Å; E98-K102 PolarHBondContact O-N 2.92Å; E98-K102 WeakPolarHBondContact OE1-CE 3.38Å; E98-K102 IonicContact OE1-NZ 2.66Å; E98-K102 PolarHBondContact OE1-NZ 3.47Å; Y99-K102 HydrophobicContact CD1-CD 4.33Å; Y99-K102 PolarHBondContact O-N 3.48Å; K102-I104 VanDerWaalsContact C-N 3.31Å; K102-I104 PolarHBondContact O-N 3.16Å; K102-A105 WeakPolarHBondContact O-CB 3.29Å; K102-A105 PolarHBondContact O-N 3.32Å; K102-Y106 WeakPolarHBondContact O-CD2 3.43Å; K102-Y106 PolarHBondContact O-N 2.91Å
103A93.6Very high91Very high6 Ų665.7 Ų65.75%0.0534%0.336CS..Hα-helixtrans-57.4-46.1177.300000111.3G85 M88 M89 Y99 L100 A105 Y106 M107G85-A103 VanDerWaalsContact O-CB 3.26Å; G85-A103 WeakPolarHBondContact O-CB 3.23Å; M88-A103 HydrophobicContact CB-CB 3.81Å; M89-A103 HydrophobicContact CB-CB 4.27Å; Y99-A103 WeakPolarHBondContact O-CB 3.26Å; Y99-A103 PolarHBondContact O-N 3.46Å; L100-A103 WeakPolarHBondContact O-CB 3.47Å; L100-A103 PolarHBondContact O-N 3.1Å; A103-A105 PolarHBondContact O-N 2.97Å; A103-Y106 PolarHBondContact O-N 2.83Å; A103-M107 VanDerWaalsContact O-CG 3.24Å; A103-M107 WeakPolarHBondContact O-CG 3.48Å; A103-M107 PolarHBondContact O-N 3.45Å
104I90.5Very high90.8Very high66 Ų6666 Ų6634%0.33834%0.339SS..Hα-helixtrans-60.7-45.5176.6-68159.9000110.7L100 E101 K102 Y106 M107 I108 I134L100-I104 WeakPolarHBondContact O-CD1 3.44Å; L100-I104 VanDerWaalsContact O-CG1 3.23Å; L100-I104 WeakPolarHBondContact O-CG1 3.31Å; L100-I104 PolarHBondContact O-N 3.39Å; E101-I104 PolarHBondContact O-N 2.95Å; K102-I104 VanDerWaalsContact C-N 3.31Å; K102-I104 PolarHBondContact O-N 3.16Å; I104-Y106 VanDerWaalsContact C-N 3.35Å; I104-Y106 PolarHBondContact O-N 3.39Å; I104-M107 PolarHBondContact O-N 3.2Å; I104-I108 HydrophobicContact CG2-CD1 3.72Å; I104-I108 HydrophobicContact CG2-CG1 4.32Å; I104-I108 WeakPolarHBondContact O-CB 3.35Å; I104-I108 WeakPolarHBondContact O-CG1 3.28Å; I104-I108 PolarHBondContact O-N 2.98Å; I104-I134 HydrophobicContact CD1-CD1 3.66Å; I104-I134 HydrophobicContact CD1-CG1 4.36Å
105A91.3Very high90.6Very high58 Ų5865.9 Ų65.948%0.47932%0.321SS..Hα-helixtrans-58.6-44.9179.300000112.2E101 K102 A103 I108 Q109E101-A105 PolarHBondContact O-N 3.28Å; K102-A105 WeakPolarHBondContact O-CB 3.29Å; K102-A105 PolarHBondContact O-N 3.32Å; A103-A105 PolarHBondContact O-N 2.97Å; A105-I108 PolarHBondContact O-N 3.34Å; A105-Q109 PolarHBondContact O-N 2.93Å
106Y93.6Very high90.3Very high49 Ų4966.7 Ų66.719%0.19232%0.322CS..Hα-helixtrans-67.3-37.9177.1-83.9-62.7000113.4E48 P81 I84 K102 A103 I104 Q109 Y110E48-Y106 PolarHBondContact OE1-OH 3.49Å; P81-Y106 HydrophobicContact CB-CD1 4.17Å; P81-Y106 WeakPolarHBondContact CB-O 3.41Å; P81-Y106 WeakPolarHBondContact O-CB 3.47Å; I84-Y106 HydrophobicContact CB-CD1 4.15Å; I84-Y106 HydrophobicContact CB-CD2 4.19Å; I84-Y106 HydrophobicContact CB-CE1 4.42Å; I84-Y106 HydrophobicContact CB-CE2 4.42Å; I84-Y106 HydrophobicContact CB-CG 4.05Å; I84-Y106 HydrophobicContact CD1-CD1 4.19Å; I84-Y106 HydrophobicContact CD1-CE1 3.87Å; I84-Y106 HydrophobicContact CG2-CD1 4.05Å; I84-Y106 HydrophobicContact CG2-CD2 3.34Å; I84-Y106 HydrophobicContact CG2-CE1 4.07Å; I84-Y106 HydrophobicContact CG2-CE2 3.33Å; I84-Y106 HydrophobicContact CG2-CG 3.71Å; K102-Y106 WeakPolarHBondContact O-CD2 3.43Å; K102-Y106 PolarHBondContact O-N 2.91Å; A103-Y106 PolarHBondContact O-N 2.83Å; I104-Y106 VanDerWaalsContact C-N 3.35Å; I104-Y106 PolarHBondContact O-N 3.39Å; Y106-Q109 WeakPolarHBondContact O-CB 3.38Å; Y106-Q109 PolarHBondContact O-N 3.17Å; Y106-Y110 PolarHBondContact O-N 2.87Å
107M93.2Very high90.1Very high68 Ų6860.5 Ų60.534%0.33529%0.293SS..Hα-helixtrans-67.2-37.8174.7-67.4-65-92.600111.7A82 M86 A103 I104 Y110 L111A82-M107 HydrophobicContact CB-SD 4.23Å; M86-M107 HydrophobicContact CE-CE 4.4Å; A103-M107 VanDerWaalsContact O-CG 3.24Å; A103-M107 WeakPolarHBondContact O-CG 3.48Å; A103-M107 PolarHBondContact O-N 3.45Å; I104-M107 PolarHBondContact O-N 3.2Å; M107-Y110 PolarHBondContact O-N 3.1Å; M107-L111 VanDerWaalsContact O-CG 3.3Å; M107-L111 WeakPolarHBondContact O-CG 3.39Å; M107-L111 PolarHBondContact O-N 3.44Å
108I90.2Very high89.8Confident48 Ų4863.5 Ų63.525%0.24630%0.301CS..Hα-helixtrans-61.8-44.6172.1-73.2170.8000110.5I104 A105 Y110 L111 A112 M129I104-I108 HydrophobicContact CG2-CD1 3.72Å; I104-I108 HydrophobicContact CG2-CG1 4.32Å; I104-I108 WeakPolarHBondContact O-CB 3.35Å; I104-I108 WeakPolarHBondContact O-CG1 3.28Å; I104-I108 PolarHBondContact O-N 2.98Å; A105-I108 PolarHBondContact O-N 3.34Å; I108-Y110 PolarHBondContact O-N 3.37Å; I108-L111 PolarHBondContact O-N 2.95Å; I108-A112 WeakPolarHBondContact O-CB 3.08Å; I108-A112 PolarHBondContact O-N 3.29Å; I108-M129 HydrophobicContact CG2-CG 4.28Å
109Q90.8Very high89.2Confident69 Ų6963.9 Ų63.932%0.32230%0.304SS..Hα-helixtrans-58.4-46.5176.3-174-176.510.300111.5P81 A105 Y106 L111 A112 L113P81-Q109 HydrophobicContact CB-CB 4.32Å; P81-Q109 HydrophobicContact CB-CG 4.41Å; P81-Q109 HydrophobicContact CG-CG 4.31Å; A105-Q109 PolarHBondContact O-N 2.93Å; Y106-Q109 WeakPolarHBondContact O-CB 3.38Å; Y106-Q109 PolarHBondContact O-N 3.17Å; Q109-L111 PolarHBondContact O-N 3.33Å; Q109-A112 PolarHBondContact O-N 3.03Å; Q109-L113 WeakPolarHBondContact O-CG 3.48Å; Q109-L113 PolarHBondContact O-N 3.4Å
110Y92.6Very high88.3Confident53 Ų5366.2 Ų66.221%0.20832%0.315CS..Hα-helixtrans-58.1-48.6176.1176.7-124000112.2L78 K79 A82 Y106 M107 I108 A112 L113 L114L78-Y110 WeakPolarHBondContact O-CD2 3.15Å; L78-Y110 WeakPolarHBondContact O-CE2 3.41Å; K79-Y110 HydrophobicContact CG-CE2 4.34Å; A82-Y110 HydrophobicContact CB-CD1 3.77Å; A82-Y110 HydrophobicContact CB-CD2 4.24Å; A82-Y110 HydrophobicContact CB-CE1 4.07Å; A82-Y110 HydrophobicContact CB-CG 3.84Å; Y106-Y110 PolarHBondContact O-N 2.87Å; M107-Y110 PolarHBondContact O-N 3.1Å; I108-Y110 PolarHBondContact O-N 3.37Å; Y110-A112 VanDerWaalsContact C-N 3.33Å; Y110-A112 PolarHBondContact O-N 2.94Å; Y110-L113 WeakPolarHBondContact O-CB 3.49Å; Y110-L113 PolarHBondContact O-N 3.21Å; Y110-L114 HydrophobicContact CD1-CD1 4.33Å; Y110-L114 HydrophobicContact CD2-CG 4.36Å; Y110-L114 HydrophobicContact CE1-CD1 3.72Å; Y110-L114 HydrophobicContact CE1-CG 4.49Å; Y110-L114 HydrophobicContact CE2-CD1 3.99Å; Y110-L114 HydrophobicContact CE2-CD2 4.04Å; Y110-L114 HydrophobicContact CE2-CG 3.99Å; Y110-L114 WeakPolarHBondContact O-CG 3.26Å; Y110-L114 PolarHBondContact O-N 3.26Å; Y110-L114 VanDerWaalsContact O-N 3.1Å
111L90Very high87Confident36 Ų3672.5 Ų72.519%0.18834%0.34CS..Hα-helixtrans-64.5-37.8179.7-68.8172.7000112.2M107 I108 Q109 L113 L114 R115 L128 M129M107-L111 VanDerWaalsContact O-CG 3.3Å; M107-L111 WeakPolarHBondContact O-CG 3.39Å; M107-L111 PolarHBondContact O-N 3.44Å; I108-L111 PolarHBondContact O-N 2.95Å; Q109-L111 PolarHBondContact O-N 3.33Å; L111-L113 PolarHBondContact O-N 3.34Å; L111-L114 PolarHBondContact O-N 3.26Å; L111-R115 WeakPolarHBondContact O-CB 3.23Å; L111-R115 PolarHBondContact O-N 3.48Å; L111-L128 HydrophobicContact CD1-CD2 3.5Å; L111-L128 VanDerWaalsContact CD1-CD2 3.5Å; L111-M129 HydrophobicContact CB-SD 4.38Å
112A87.1Confident85.7Confident37 Ų3770 Ų7031%0.30633%0.33SS..Hα-helixtrans-62-42175.800000111.8I108 Q109 Y110 R115 H116 M129I108-A112 WeakPolarHBondContact O-CB 3.08Å; I108-A112 PolarHBondContact O-N 3.29Å; Q109-A112 PolarHBondContact O-N 3.03Å; Y110-A112 VanDerWaalsContact C-N 3.33Å; Y110-A112 PolarHBondContact O-N 2.94Å; A112-R115 PolarHBondContact O-N 3Å; A112-H116 WeakPolarHBondContact O-CB 3.42Å; A112-H116 PolarHBondContact O-N 2.87Å; A112-M129 HydrophobicContact CB-SD 4.17Å
113L88.9Confident84.4Confident20 Ų2072.2 Ų72.211%0.10535%0.345CS..Hα-helixtrans-60.8-48.3174.3-69.5167000111.4Y61 L78 P81 Q109 Y110 L111 R115 H116 L117Y61-L113 HydrophobicContact CD1-CD1 3.83Å; Y61-L113 WeakPolarHBondContact O-CD2 3.38Å; L78-L113 HydrophobicContact CD2-CD1 4.47Å; P81-L113 HydrophobicContact CG-CD1 4.15Å; Q109-L113 WeakPolarHBondContact O-CG 3.48Å; Q109-L113 PolarHBondContact O-N 3.4Å; Y110-L113 WeakPolarHBondContact O-CB 3.49Å; Y110-L113 PolarHBondContact O-N 3.21Å; L111-L113 PolarHBondContact O-N 3.34Å; L113-R115 VanDerWaalsContact C-N 3.32Å; L113-R115 PolarHBondContact O-N 3.08Å; L113-H116 PolarHBondContact O-N 3.37Å; L113-L117 WeakPolarHBondContact O-CG 3.16Å; L113-L117 PolarHBondContact O-N 3.5Å
114L88.4Confident82.9Confident23 Ų2375.4 Ų75.412%0.1236%0.362CS..Hα-helixtrans-63.3-38.1178.4-64.3-172.6000112.6Y110 L111 R118 I119Y110-L114 HydrophobicContact CD1-CD1 4.33Å; Y110-L114 HydrophobicContact CD2-CG 4.36Å; Y110-L114 HydrophobicContact CE1-CD1 3.72Å; Y110-L114 HydrophobicContact CE1-CG 4.49Å; Y110-L114 HydrophobicContact CE2-CD1 3.99Å; Y110-L114 HydrophobicContact CE2-CD2 4.04Å; Y110-L114 HydrophobicContact CE2-CG 3.99Å; Y110-L114 WeakPolarHBondContact O-CG 3.26Å; Y110-L114 PolarHBondContact O-N 3.26Å; Y110-L114 VanDerWaalsContact O-N 3.1Å; L111-L114 PolarHBondContact O-N 3.26Å; L114-R118 PolarHBondContact O-N 3.31Å; L114-I119 HydrophobicContact CB-CB 4.46Å; L114-I119 HydrophobicContact CD2-CB 4.31Å; L114-I119 HydrophobicContact CD2-CD1 3.81Å; L114-I119 HydrophobicContact CD2-CG2 4.23Å; L114-I119 PolarHBondContact O-N 3.39Å
115R84.5Confident81.6Confident128 Ų12872.7 Ų72.748%0.48335%0.349SS..Hα-helixtrans-65.1-47.6174.7-175.4179.765.8172.19.1110.8L111 A112 L113 L117 R118 D126L111-R115 WeakPolarHBondContact O-CB 3.23Å; L111-R115 PolarHBondContact O-N 3.48Å; A112-R115 PolarHBondContact O-N 3Å; L113-R115 VanDerWaalsContact C-N 3.32Å; L113-R115 PolarHBondContact O-N 3.08Å; R115-L117 VanDerWaalsContact C-N 3.26Å; R115-L117 PolarHBondContact O-N 3.16Å; R115-R118 PolarHBondContact O-N 3.28Å; R115-D126 IonicContact CZ-OD1 2.81Å; R115-D126 IonicContact NH1-OD1 2.78Å; R115-D126 PolarHBondContact NH1-OD1 3.29Å
116H85.6Confident80.4Confident94 Ų9473.1 Ų73.144%0.43534%0.344SS..Hα-helixtrans-55-45178.5178.381000111.2A112 L113 R118A112-H116 WeakPolarHBondContact O-CB 3.42Å; A112-H116 PolarHBondContact O-N 2.87Å; L113-H116 PolarHBondContact O-N 3.37Å; H116-R118 PolarHBondContact O-N 2.9Å
117L85.5Confident79.2Confident6 Ų673 Ų733%0.03135%0.352CS..THydrogen-bonded Turntrans-75.8-2.1178.9-64.7171.1000114.2R65 K67 M70 L78 L113 R115 I119R65-L117 WeakPolarHBondContact O-CD2 3.46Å; K67-L117 HydrophobicContact CB-CB 4.4Å; K67-L117 HydrophobicContact CB-CD2 4.42Å; K67-L117 WeakPolarHBondContact CD-O 3.33Å; M70-L117 HydrophobicContact CE-CD1 4.19Å; M70-L117 HydrophobicContact CE-CD2 3.66Å; M70-L117 HydrophobicContact SD-CD1 3.92Å; M70-L117 HydrophobicContact SD-CD2 3.83Å; L78-L117 HydrophobicContact CD1-CD1 3.24Å; L78-L117 HydrophobicContact CD2-CD1 4.38Å; L78-L117 HydrophobicContact CG-CD1 4.44Å; L113-L117 WeakPolarHBondContact O-CG 3.16Å; L113-L117 PolarHBondContact O-N 3.5Å; R115-L117 VanDerWaalsContact C-N 3.26Å; R115-L117 PolarHBondContact O-N 3.16Å; L117-I119 HydrophobicContact CB-CD1 3.75Å; L117-I119 HydrophobicContact CB-CG1 3.8Å; L117-I119 HydrophobicContact CD1-CD1 3.82Å; L117-I119 HydrophobicContact CG-CD1 4.47Å; L117-I119 PolarHBondContact O-N 3.14Å
118R83.5Confident77.8Confident209 Ų20973.7 Ų73.779%0.78936%0.357SS*.THydrogen-bonded Turntrans51.836.8-174.2-51.6179.2-178.2-178.60.2111.8L114 R115 H116L114-R118 PolarHBondContact O-N 3.31Å; R115-R118 PolarHBondContact O-N 3.28Å; H116-R118 PolarHBondContact O-N 2.9Å
119I79.4Confident76.7Confident86 Ų8673.1 Ų73.144%0.44135%0.354SS..SBendtrans-77.7-35.3172.1-67.7170.2000109.2L75 L78 L114 L117L75-I119 HydrophobicContact CD2-CD1 4.27Å; L78-I119 HydrophobicContact CD1-CD1 4.45Å; L114-I119 HydrophobicContact CB-CB 4.46Å; L114-I119 HydrophobicContact CD2-CB 4.31Å; L114-I119 HydrophobicContact CD2-CD1 3.81Å; L114-I119 HydrophobicContact CD2-CG2 4.23Å; L114-I119 PolarHBondContact O-N 3.39Å; L117-I119 HydrophobicContact CB-CD1 3.75Å; L117-I119 HydrophobicContact CB-CG1 3.8Å; L117-I119 HydrophobicContact CD1-CD1 3.82Å; L117-I119 HydrophobicContact CG-CD1 4.47Å; L117-I119 PolarHBondContact O-N 3.14Å
120F71.6Confident75.5Confident84 Ų8474 Ų7437%0.36837%0.368SS..  trans-135.5139.4179.2177.3-113.1000109.3D122 A125F120-D122 HydrophobicContact CD1-CB 3.92Å; F120-D122 HydrophobicContact CD2-CB 4.27Å; F120-D122 HydrophobicContact CE1-CB 3.15Å; F120-D122 HydrophobicContact CE2-CB 3.53Å; F120-D122 HydrophobicContact CG-CB 4.45Å; F120-D122 HydrophobicContact CZ-CB 2.96Å; F120-D122 WeakPolarHBondContact CZ-OD2 3.4Å; F120-A125 HydrophobicContact CD1-CB 4.46Å; F120-A125 HydrophobicContact CE1-CB 3.86Å
121K63.8Low73.9Confident197 Ų19773.8 Ų73.886%0.85737%0.374SS*.  trans-134.694.2173.8-175.8-175179.3-175.40106.6
122D64.9Low72.4Confident58 Ų5880.8 Ų80.831%0.3141%0.411SS..  trans-127.7129.1177.1-166.8-24.6000108.9F120 D124 A125F120-D122 HydrophobicContact CD1-CB 3.92Å; F120-D122 HydrophobicContact CD2-CB 4.27Å; F120-D122 HydrophobicContact CE1-CB 3.15Å; F120-D122 HydrophobicContact CE2-CB 3.53Å; F120-D122 HydrophobicContact CG-CB 4.45Å; F120-D122 HydrophobicContact CZ-CB 2.96Å; F120-D122 WeakPolarHBondContact CZ-OD2 3.4Å; D122-D124 PolarHBondContact O-N 3.32Å; D122-D124 WeakPolarHBondContact OD1-CB 3.21Å; D122-D124 PolarHBondContact OD1-N 3.4Å; D122-A125 HydrophobicContact CB-CB 4.47Å; D122-A125 PolarHBondContact O-N 3.02Å
123N63.1Low71Confident121 Ų12181.2 Ų81.265%0.64742%0.419SS*.Hα-helixtrans-64.9-26.4179.6-61.9-23.9000110.7A125 D126 A127N123-A125 VanDerWaalsContact C-N 3.34Å; N123-D126 WeakPolarHBondContact O-CB 3.47Å; N123-D126 PolarHBondContact O-N 3.36Å; N123-A127 PolarHBondContact O-N 3.45Å
124D61.7Low69.3Low73 Ų7386.5 Ų86.539%0.3945%0.447SS..Hα-helixtrans-73.8-27.7179-65.1-29.7000111.9D122 D126 A127 L128 M145D122-D124 PolarHBondContact O-N 3.32Å; D122-D124 WeakPolarHBondContact OD1-CB 3.21Å; D122-D124 PolarHBondContact OD1-N 3.4Å; D124-D126 VanDerWaalsContact C-N 3.31Å; D124-A127 PolarHBondContact O-N 3.34Å; D124-L128 PolarHBondContact O-N 3.21Å; D124-M145 WeakPolarHBondContact OD2-CE 3.37Å
125A64.9Low68.1Low10 Ų1089.1 Ų89.18%0.08346%0.461CS..Hα-helixtrans-68-33.217200000111.8F120 D122 N123 A127 L128 M129F120-A125 HydrophobicContact CD1-CB 4.46Å; F120-A125 HydrophobicContact CE1-CB 3.86Å; D122-A125 HydrophobicContact CB-CB 4.47Å; D122-A125 PolarHBondContact O-N 3.02Å; N123-A125 VanDerWaalsContact C-N 3.34Å; A125-A127 VanDerWaalsContact C-N 3.33Å; A125-L128 PolarHBondContact O-N 2.97Å; A125-M129 HydrophobicContact CB-CE 4.09Å; A125-M129 WeakPolarHBondContact O-CB 3.4Å; A125-M129 VanDerWaalsContact O-CE 3.27Å; A125-M129 WeakPolarHBondContact O-CE 3.47Å; A125-M129 VanDerWaalsContact O-CG 3.24Å; A125-M129 WeakPolarHBondContact O-CG 3.36Å; A125-M129 PolarHBondContact O-N 3.36Å
126D66.3Low67Low67 Ų6790.5 Ų90.536%0.35847%0.467SS..Hα-helixtrans-64.3-40.4175.3-71.5-24.3000111.1R115 N123 D124 M129 S130R115-D126 IonicContact CZ-OD1 2.81Å; R115-D126 IonicContact NH1-OD1 2.78Å; R115-D126 PolarHBondContact NH1-OD1 3.29Å; N123-D126 WeakPolarHBondContact O-CB 3.47Å; N123-D126 PolarHBondContact O-N 3.36Å; D124-D126 VanDerWaalsContact C-N 3.31Å; D126-M129 PolarHBondContact O-N 3.33Å; D126-M129 WeakPolarHBondContact OD1-CE 3.46Å; D126-S130 VanDerWaalsContact O-CB 3.24Å; D126-S130 WeakPolarHBondContact O-CB 3.44Å; D126-S130 PolarHBondContact O-N 3.06Å; D126-S130 PolarHBondContact O-OG 3.1Å
127A66.3Low66.4Low45 Ų4589.9 Ų89.937%0.37247%0.469SS..Hα-helixtrans-62.1-45.7173.100000111.4N123 D124 A125 M129 S130 S131N123-A127 PolarHBondContact O-N 3.45Å; D124-A127 PolarHBondContact O-N 3.34Å; A125-A127 VanDerWaalsContact C-N 3.33Å; A127-M129 PolarHBondContact O-N 2.88Å; A127-S130 PolarHBondContact O-N 3.08Å; A127-S130 PolarHBondContact O-OG 2.96Å; A127-S131 VanDerWaalsContact O-CB 3.3Å; A127-S131 WeakPolarHBondContact O-CB 3.43Å; A127-S131 PolarHBondContact O-N 3.46Å; A127-S131 PolarHBondContact O-OG 3.41Å
128L64.9Low65.3Low83 Ų8391.8 Ų91.844%0.43548%0.48SS..Hα-helixtrans-62.6-42178.5-166.175.5000112.4L111 D124 A125 S131L111-L128 HydrophobicContact CD1-CD2 3.5Å; L111-L128 VanDerWaalsContact CD1-CD2 3.5Å; D124-L128 PolarHBondContact O-N 3.21Å; A125-L128 PolarHBondContact O-N 2.97Å; L128-S131 PolarHBondContact O-OG 2.9Å
129M67.6Low64.5Low36 Ų3687.8 Ų87.818%0.17747%0.466CS..Hα-helixtrans-76.2-24.4-179.2-70.8-175.3-70.600113.9I108 L111 A112 A125 D126 A127I108-M129 HydrophobicContact CG2-CG 4.28Å; L111-M129 HydrophobicContact CB-SD 4.38Å; A112-M129 HydrophobicContact CB-SD 4.17Å; A125-M129 HydrophobicContact CB-CE 4.09Å; A125-M129 WeakPolarHBondContact O-CB 3.4Å; A125-M129 VanDerWaalsContact O-CE 3.27Å; A125-M129 WeakPolarHBondContact O-CE 3.47Å; A125-M129 VanDerWaalsContact O-CG 3.24Å; A125-M129 WeakPolarHBondContact O-CG 3.36Å; A125-M129 PolarHBondContact O-N 3.36Å; D126-M129 PolarHBondContact O-N 3.33Å; D126-M129 WeakPolarHBondContact OD1-CE 3.46Å; A127-M129 PolarHBondContact O-N 2.88Å
130S65.6Low64.3Low89 Ų8987.6 Ų87.662%0.62247%0.465SS*.Hα-helixtrans-97.1-13-178.959.70000113.9D126 A127 N132D126-S130 VanDerWaalsContact O-CB 3.24Å; D126-S130 WeakPolarHBondContact O-CB 3.44Å; D126-S130 PolarHBondContact O-N 3.06Å; D126-S130 PolarHBondContact O-OG 3.1Å; A127-S130 PolarHBondContact O-N 3.08Å; A127-S130 PolarHBondContact O-OG 2.96Å; S130-N132 PolarHBondContact O-N 3.45Å
131S58.5Low64.5Low48 Ų4889.2 Ų89.234%0.33647%0.472SS..  trans-76.3122.1-179.371.80000111.7A127 L128 G133A127-S131 VanDerWaalsContact O-CB 3.3Å; A127-S131 WeakPolarHBondContact O-CB 3.43Å; A127-S131 PolarHBondContact O-N 3.46Å; A127-S131 PolarHBondContact O-OG 3.41Å; L128-S131 PolarHBondContact O-OG 2.9Å; S131-G133 WeakPolarHBondContact CB-O 3.5Å; S131-G133 PolarHBondContact O-N 3.45Å; S131-G133 PolarHBondContact OG-O 3.29Å
132N58.4Low64.8Low182 Ų18283.1 Ų83.197%0.97345%0.449SS*.SBendtrans-78.515.7170.4-69.6-15.8000112.8S130S130-N132 PolarHBondContact O-N 3.45Å
133G56.7Low65.2Low46 Ų4683 Ų8347%0.47445%0.45SS..SBendtrans-179.1147.1-178.500000111S131 N135S131-G133 WeakPolarHBondContact CB-O 3.5Å; S131-G133 PolarHBondContact O-N 3.45Å; S131-G133 PolarHBondContact OG-O 3.29Å; G133-N135 PolarHBondContact O-N 3.21Å
134I54.8Low66Low132 Ų13280 Ų8068%0.67744%0.442SS*.  trans-69.2106.5174.5-62.2165.9000108I104 Y136I104-I134 HydrophobicContact CD1-CD1 3.66Å; I104-I134 HydrophobicContact CD1-CG1 4.36Å; I134-Y136 PolarHBondContact O-N 2.94Å
135N62Low66.6Low78 Ų7879.9 Ų79.942%0.41744%0.44SS..  trans-75.1116.3172.6-173.5-14.4000109.1G133 V137 D138 Y139G133-N135 PolarHBondContact O-N 3.21Å; N135-V137 PolarHBondContact O-N 3.03Å; N135-V137 VanDerWaalsContact O-N 3.1Å; N135-V137 VanDerWaalsContact OD1-CB 3.31Å; N135-V137 WeakPolarHBondContact OD1-CB 3.36Å; N135-V137 PolarHBondContact OD1-N 3.03Å; N135-D138 HydrophobicContact CB-CB 4.19Å; N135-D138 WeakPolarHBondContact CB-OD2 3.47Å; N135-D138 WeakPolarHBondContact O-CA 3.44Å; N135-D138 PolarHBondContact O-N 3.18Å; N135-Y139 PolarHBondContact O-N 3.3Å
136Y62.7Low67.1Low157 Ų15785.1 Ų85.162%0.61647%0.466SS*.Hα-helixtrans-53.9-31.5177.3-178.3-109.2000112.7I134 D138 Y139 L140I134-Y136 PolarHBondContact O-N 2.94Å; Y136-D138 VanDerWaalsContact C-N 3.34Å; Y136-Y139 AromaticContact CD2-CD1 3.96Å; Y136-Y139 HydrophobicContact CD2-CD1 3.96Å; Y136-Y139 AromaticContact CE2-CD1 3.85Å; Y136-Y139 HydrophobicContact CE2-CD1 3.85Å; Y136-Y139 HydrophobicContact CE2-CE1 4.14Å; Y136-Y139 WeakPolarHBondContact O-CB 3.16Å; Y136-Y139 PolarHBondContact O-N 2.92Å; Y136-L140 HydrophobicContact CD1-CD1 4.06Å; Y136-L140 HydrophobicContact CD1-CG 4.43Å; Y136-L140 HydrophobicContact CE1-CD1 3.6Å; Y136-L140 HydrophobicContact CE1-CD2 4.46Å; Y136-L140 HydrophobicContact CE1-CG 4.05Å; Y136-L140 WeakPolarHBondContact O-CG 3.4Å; Y136-L140 PolarHBondContact O-N 3.49Å
137V71.3Confident67.8Low80 Ų8084.5 Ų84.549%0.48547%0.467SS..Hα-helixtrans-64.6-39.9174.9179.70000111.3N135 L140 K141N135-V137 PolarHBondContact O-N 3.03Å; N135-V137 VanDerWaalsContact O-N 3.1Å; N135-V137 VanDerWaalsContact OD1-CB 3.31Å; N135-V137 WeakPolarHBondContact OD1-CB 3.36Å; N135-V137 PolarHBondContact OD1-N 3.03Å; V137-L140 PolarHBondContact O-N 2.93Å; V137-K141 WeakPolarHBondContact O-CG 3.47Å; V137-K141 PolarHBondContact O-N 2.9Å; V137-K141 VanDerWaalsContact O-N 3.08Å
138D63.9Low68.6Low47 Ų4788.7 Ų88.725%0.25147%0.474SS..Hα-helixtrans-73.3-35.2178.5-64.8-30000111.3N135 Y136 L140 K141 N142N135-D138 HydrophobicContact CB-CB 4.19Å; N135-D138 WeakPolarHBondContact CB-OD2 3.47Å; N135-D138 WeakPolarHBondContact O-CA 3.44Å; N135-D138 PolarHBondContact O-N 3.18Å; Y136-D138 VanDerWaalsContact C-N 3.34Å; D138-L140 VanDerWaalsContact C-N 3.35Å; D138-L140 PolarHBondContact O-N 3.05Å; D138-K141 PolarHBondContact O-N 2.67Å; D138-K141 IonicContact OD1-NZ 2.63Å; D138-K141 PolarHBondContact OD1-NZ 3.45Å; D138-N142 WeakPolarHBondContact O-CB 3.39Å; D138-N142 VanDerWaalsContact O-CG 3.3Å; D138-N142 PolarHBondContact O-N 2.93Å; D138-N142 PolarHBondContact O-ND2 3.45Å
139Y65Low69.1Low125 Ų12589.4 Ų89.449%0.4948%0.475SS..Hα-helixtrans-54.2-49.5167.1165-102000111.8N135 Y136 K141 N142 V143N135-Y139 PolarHBondContact O-N 3.3Å; Y136-Y139 AromaticContact CD2-CD1 3.96Å; Y136-Y139 HydrophobicContact CD2-CD1 3.96Å; Y136-Y139 AromaticContact CE2-CD1 3.85Å; Y136-Y139 HydrophobicContact CE2-CD1 3.85Å; Y136-Y139 HydrophobicContact CE2-CE1 4.14Å; Y136-Y139 WeakPolarHBondContact O-CB 3.16Å; Y136-Y139 PolarHBondContact O-N 2.92Å; Y139-K141 VanDerWaalsContact C-N 3.35Å; Y139-K141 PolarHBondContact O-N 3.48Å; Y139-N142 PolarHBondContact O-N 2.86Å; Y139-V143 HydrophobicContact CD2-CG2 4.13Å; Y139-V143 HydrophobicContact CE1-CG2 4.15Å; Y139-V143 HydrophobicContact CE2-CG2 3.62Å; Y139-V143 WeakPolarHBondContact O-CG2 3.29Å; Y139-V143 PolarHBondContact O-N 2.85Å
140L75.4Confident69.6Low81 Ų8193.8 Ų93.842%0.42449%0.493SS..Hα-helixtrans-62.3-39.5178.9-70.6177.8000112.6Y136 V137 D138 V143 A144Y136-L140 HydrophobicContact CD1-CD1 4.06Å; Y136-L140 HydrophobicContact CD1-CG 4.43Å; Y136-L140 HydrophobicContact CE1-CD1 3.6Å; Y136-L140 HydrophobicContact CE1-CD2 4.46Å; Y136-L140 HydrophobicContact CE1-CG 4.05Å; Y136-L140 WeakPolarHBondContact O-CG 3.4Å; Y136-L140 PolarHBondContact O-N 3.49Å; V137-L140 PolarHBondContact O-N 2.93Å; D138-L140 VanDerWaalsContact C-N 3.35Å; D138-L140 PolarHBondContact O-N 3.05Å; L140-V143 PolarHBondContact O-N 3.38Å; L140-A144 PolarHBondContact O-N 3.33Å
141K75.4Confident70.3Confident119 Ų11996.9 Ų96.952%0.51749%0.491SS..Hα-helixtrans-60.9-46.1173.9-70174.8-167.6155.30111.4V137 D138 Y139 V143 A144 M145V137-K141 WeakPolarHBondContact O-CG 3.47Å; V137-K141 PolarHBondContact O-N 2.9Å; V137-K141 VanDerWaalsContact O-N 3.08Å; D138-K141 PolarHBondContact O-N 2.67Å; D138-K141 IonicContact OD1-NZ 2.63Å; D138-K141 PolarHBondContact OD1-NZ 3.45Å; Y139-K141 VanDerWaalsContact C-N 3.35Å; Y139-K141 PolarHBondContact O-N 3.48Å; K141-V143 PolarHBondContact O-N 3.28Å; K141-A144 WeakPolarHBondContact O-CB 3.34Å; K141-A144 PolarHBondContact O-N 3.32Å; K141-M145 WeakPolarHBondContact O-CB 3.37Å; K141-M145 PolarHBondContact O-N 3.06Å
142N70.5Confident71.4Confident68 Ų6897.9 Ų97.936%0.36449%0.492SS..Hα-helixtrans-62.2-42.4179.3-72.5-21.7000111.7D138 Y139 A144 M145 L146D138-N142 WeakPolarHBondContact O-CB 3.39Å; D138-N142 VanDerWaalsContact O-CG 3.3Å; D138-N142 PolarHBondContact O-N 2.93Å; D138-N142 PolarHBondContact O-ND2 3.45Å; Y139-N142 PolarHBondContact O-N 2.86Å; N142-A144 VanDerWaalsContact C-N 3.35Å; N142-A144 PolarHBondContact O-N 3.31Å; N142-M145 PolarHBondContact O-N 3.23Å; N142-L146 WeakPolarHBondContact O-CB 3.36Å; N142-L146 WeakPolarHBondContact O-CG 3.3Å; N142-L146 PolarHBondContact O-N 3.4Å
143V74Confident72.2Confident56 Ų5697.8 Ų97.834%0.33948%0.478SS..Hα-helixtrans-61.3-41.8174.2171.50000111.9Y139 L140 K141 S147Y139-V143 HydrophobicContact CD2-CG2 4.13Å; Y139-V143 HydrophobicContact CE1-CG2 4.15Å; Y139-V143 HydrophobicContact CE2-CG2 3.62Å; Y139-V143 WeakPolarHBondContact O-CG2 3.29Å; Y139-V143 PolarHBondContact O-N 2.85Å; L140-V143 PolarHBondContact O-N 3.38Å; K141-V143 PolarHBondContact O-N 3.28Å; V143-S147 WeakPolarHBondContact O-CB 3.37Å; V143-S147 PolarHBondContact O-N 3.18Å; V143-S147 PolarHBondContact O-OG 3Å
144A79.3Confident73.4Confident59 Ų59103.1 Ų103.149%0.48848%0.484SS..Hα-helixtrans-64.2-41.5177.300000111.9L140 K141 N142 S147 Y148L140-A144 PolarHBondContact O-N 3.33Å; K141-A144 WeakPolarHBondContact O-CB 3.34Å; K141-A144 PolarHBondContact O-N 3.32Å; N142-A144 VanDerWaalsContact C-N 3.35Å; N142-A144 PolarHBondContact O-N 3.31Å; A144-S147 WeakPolarHBondContact O-CB 3.29Å; A144-S147 PolarHBondContact O-N 3.36Å; A144-Y148 PolarHBondContact O-N 2.85Å
145M76Confident74.8Confident69 Ų69104.5 Ų104.534%0.3449%0.485SS..Hα-helixtrans-66.4-46.3177.8-163.4-165.8-47.200112.1D124 K141 N142 S147 Y148 H149D124-M145 WeakPolarHBondContact OD2-CE 3.37Å; K141-M145 WeakPolarHBondContact O-CB 3.37Å; K141-M145 PolarHBondContact O-N 3.06Å; N142-M145 PolarHBondContact O-N 3.23Å; M145-S147 VanDerWaalsContact C-N 3.26Å; M145-S147 PolarHBondContact O-N 3.32Å; M145-Y148 WeakPolarHBondContact O-CA 3.41Å; M145-Y148 WeakPolarHBondContact O-CB 3.34Å; M145-Y148 PolarHBondContact O-N 2.88Å; M145-H149 PolarHBondContact O-CD2 3.32Å; M145-H149 PolarHBondContact O-N 3.26Å
146L74.2Confident75.5Confident121 Ų121107 Ų10763%0.63450%0.498SS*.Hα-helixtrans-56.7-42172.6-75.3170.9000111.4N142 Y148 H149 K150N142-L146 WeakPolarHBondContact O-CB 3.36Å; N142-L146 WeakPolarHBondContact O-CG 3.3Å; N142-L146 PolarHBondContact O-N 3.4Å; L146-Y148 VanDerWaalsContact C-N 3.33Å; L146-Y148 PolarHBondContact O-N 3.47Å; L146-H149 PolarHBondContact O-N 3.37Å; L146-K150 VanDerWaalsContact O-CB 3.3Å; L146-K150 WeakPolarHBondContact O-CB 3.45Å; L146-K150 PolarHBondContact O-N 2.98Å
147S80.5Confident76.3Confident54 Ų54105.8 Ų105.838%0.37850%0.501SS..Hα-helixtrans-65.5-34.9176.3-62.70000112.6V143 A144 M145 R151V143-S147 WeakPolarHBondContact O-CB 3.37Å; V143-S147 PolarHBondContact O-N 3.18Å; V143-S147 PolarHBondContact O-OG 3Å; A144-S147 WeakPolarHBondContact O-CB 3.29Å; A144-S147 PolarHBondContact O-N 3.36Å; M145-S147 VanDerWaalsContact C-N 3.26Å; M145-S147 PolarHBondContact O-N 3.32Å; S147-R151 WeakPolarHBondContact O-CG 3.43Å; S147-R151 PolarHBondContact O-N 3.19Å; S147-R151 PolarHBondContact O-NE 2.88Å
148Y83.2Confident75.9Confident132 Ų132113.4 Ų113.452%0.51853%0.528SS..Hα-helixtrans-65.8-50.8171.8173.7-95000111.4A144 M145 L146 K150 R151 L152A144-Y148 PolarHBondContact O-N 2.85Å; M145-Y148 WeakPolarHBondContact O-CA 3.41Å; M145-Y148 WeakPolarHBondContact O-CB 3.34Å; M145-Y148 PolarHBondContact O-N 2.88Å; L146-Y148 VanDerWaalsContact C-N 3.33Å; L146-Y148 PolarHBondContact O-N 3.47Å; Y148-K150 VanDerWaalsContact C-N 3.35Å; Y148-K150 PolarHBondContact O-N 3.4Å; Y148-R151 WeakPolarHBondContact O-CB 3.34Å; Y148-R151 PolarHBondContact O-N 3.09Å; Y148-R151 VanDerWaalsContact O-N 3.09Å; Y148-L152 HydrophobicContact CE1-CD2 4.41Å; Y148-L152 PolarHBondContact O-N 2.87Å
149H75.9Confident76.5Confident98 Ų98116.7 Ų116.745%0.45454%0.542SS..Hα-helixtrans-62.2-39.7179.1-72.6-62.3000112.8M145 L146 R151 L152 R153M145-H149 PolarHBondContact O-CD2 3.32Å; M145-H149 PolarHBondContact O-N 3.26Å; L146-H149 PolarHBondContact O-N 3.37Å; H149-R151 VanDerWaalsContact C-N 3.31Å; H149-R151 PolarHBondContact O-N 3.41Å; H149-L152 PolarHBondContact O-N 3.11Å; H149-R153 WeakPolarHBondContact O-CB 3.33Å; H149-R153 PolarHBondContact O-N 3.09Å
150K78.5Confident77.1Confident129 Ų129116.3 Ų116.356%0.56154%0.544SS*.Hα-helixtrans-60.6-39.6173.9-169.9173.1-175.9173.60111.8L146 Y148 R154L146-K150 VanDerWaalsContact O-CB 3.3Å; L146-K150 WeakPolarHBondContact O-CB 3.45Å; L146-K150 PolarHBondContact O-N 2.98Å; Y148-K150 VanDerWaalsContact C-N 3.35Å; Y148-K150 PolarHBondContact O-N 3.4Å; K150-R154 WeakPolarHBondContact O-CG 3.48Å; K150-R154 PolarHBondContact O-N 2.85Å
151R80.8Confident77.2Confident154 Ų154118.2 Ų118.258%0.58155%0.551SS**Hα-helixtrans-68-43.8174.5-77.6-177.6-76.2-177.6-2.5112S147 Y148 H149 R154 K155S147-R151 WeakPolarHBondContact O-CG 3.43Å; S147-R151 PolarHBondContact O-N 3.19Å; S147-R151 PolarHBondContact O-NE 2.88Å; Y148-R151 WeakPolarHBondContact O-CB 3.34Å; Y148-R151 PolarHBondContact O-N 3.09Å; Y148-R151 VanDerWaalsContact O-N 3.09Å; H149-R151 VanDerWaalsContact C-N 3.31Å; H149-R151 PolarHBondContact O-N 3.41Å; R151-R154 PolarHBondContact O-N 3.33Å; R151-K155 PolarHBondContact O-N 3.21Å; R151-K155 VanDerWaalsContact O-N 3.09Å
152L80.6Confident77.3Confident68 Ų68118.2 Ų118.236%0.35655%0.553SS.*Hα-helixtrans-61.3-47.6177.7-173.467.3000111.2Y148 H149 R154 K155 L156Y148-L152 HydrophobicContact CE1-CD2 4.41Å; Y148-L152 PolarHBondContact O-N 2.87Å; H149-L152 PolarHBondContact O-N 3.11Å; L152-R154 VanDerWaalsContact C-N 3.32Å; L152-R154 PolarHBondContact O-N 3.2Å; L152-K155 WeakPolarHBondContact O-CB 3.45Å; L152-K155 PolarHBondContact O-N 3.03Å; L152-L156 HydrophobicContact CG-CD1 4.06Å; L152-L156 WeakPolarHBondContact O-CG 3.46Å; L152-L156 PolarHBondContact O-N 3.06Å
153R75.7Confident77.7Confident180 Ų180121.3 Ų121.368%0.67957%0.565SS**Hα-helixtrans-56.9-43.6175.7-175.9176.9177.3-175.20.2112.1H149 K155 L156 L157H149-R153 WeakPolarHBondContact O-CB 3.33Å; H149-R153 PolarHBondContact O-N 3.09Å; R153-K155 VanDerWaalsContact C-N 3.29Å; R153-K155 PolarHBondContact O-N 3.04Å; R153-L156 PolarHBondContact O-N 2.7Å; R153-L157 HydrophobicContact CG-CD1 3.78Å; R153-L157 HydrophobicContact CG-CG 4.43Å; R153-L157 WeakPolarHBondContact O-CB 3.49Å; R153-L157 VanDerWaalsContact O-CG 3.29Å; R153-L157 WeakPolarHBondContact O-CG 3.48Å; R153-L157 PolarHBondContact O-N 3.18Å; R153-L157 VanDerWaalsContact O-N 3.11Å
154R81.6Confident78Confident158 Ų158125.7 Ų125.760%0.59658%0.58SS**Hα-helixtrans-64.1-30.6175.8-75.8175.7-179.7176.9-2.2113.5K150 R151 L152K150-R154 WeakPolarHBondContact O-CG 3.48Å; K150-R154 PolarHBondContact O-N 2.85Å; R151-R154 PolarHBondContact O-N 3.33Å; L152-R154 VanDerWaalsContact C-N 3.32Å; L152-R154 PolarHBondContact O-N 3.2Å
155K83.3Confident77.9Confident161 Ų161130.4 Ų130.470%0.759%0.587SS**Hα-helixtrans-74.8-38.3175.2-74.6-175.4176.6-173.90112.1R151 L152 R153 L157R151-K155 PolarHBondContact O-N 3.21Å; R151-K155 VanDerWaalsContact O-N 3.09Å; L152-K155 WeakPolarHBondContact O-CB 3.45Å; L152-K155 PolarHBondContact O-N 3.03Å; R153-K155 VanDerWaalsContact C-N 3.29Å; R153-K155 PolarHBondContact O-N 3.04Å; K155-L157 VanDerWaalsContact C-N 3.31Å
156L77Confident78Confident132 Ų132135.2 Ų135.269%0.69161%0.605SS**Hα-helixtrans-75-20.2-179.4-68.3170.8000113.5L152 R153L152-L156 HydrophobicContact CG-CD1 4.06Å; L152-L156 WeakPolarHBondContact O-CG 3.46Å; L152-L156 PolarHBondContact O-N 3.06Å; R153-L156 PolarHBondContact O-N 2.7Å
157L79.9Confident78.4Confident130 Ų130136.3 Ų136.368%0.68160%0.603SS**THydrogen-bonded Turntrans-96.78.8178.2-65.7174.3000113.5R153 K155R153-L157 HydrophobicContact CG-CD1 3.78Å; R153-L157 HydrophobicContact CG-CG 4.43Å; R153-L157 WeakPolarHBondContact O-CB 3.49Å; R153-L157 VanDerWaalsContact O-CG 3.29Å; R153-L157 WeakPolarHBondContact O-CG 3.48Å; R153-L157 PolarHBondContact O-N 3.18Å; R153-L157 VanDerWaalsContact O-N 3.11Å; K155-L157 VanDerWaalsContact C-N 3.31Å
158K63.1Low78.2Confident240 Ų240143.8 Ų143.8100%1.04362%0.624SS**  trans-110.70170.8-77.3-172.9176.3-1660109.1

Retrieved 158 of 158 residues in 130.2 ms (Link to these results)

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