A0A077Z4D1_TRITR Loading...

Protein dpy 19 1

AlphaFold DB , UniProt , Accession A0A077Z4D1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 572 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M70.5Confident86.1Confident103 Ų10386.4 Ų86.451%0.50741%0.406SS..  0-63.40-157.3-179.217000111.6V3 Y4 L5 L143 S146 L150M1-V3 VanDerWaalsContact C-N 3.3Å; M1-V3 PolarHBondContact O-N 2.7Å; M1-Y4 PolarHBondContact O-N 3.42Å; M1-L5 PolarHBondContact O-N 3.35Å; M1-L5 VanDerWaalsContact O-N 3.14Å; M1-L143 HydrophobicContact CE-CD1 3.58Å; M1-S146 PolarHBondContact O-OG 3.34Å; M1-L150 HydrophobicContact SD-CD1 4.4Å
2H77.9Confident86.8Confident150 Ų15079.3 Ų79.369%0.69437%0.372SS*.Hα-helixtrans-52.2-41.2-177.9-64.2-66.3000114.9Y4 L5 L6H2-Y4 PolarHBondContact O-N 3.12Å; H2-L5 PolarHBondContact O-N 3.27Å; H2-L6 WeakPolarHBondContact O-CG 3.26Å; H2-L6 PolarHBondContact O-N 3.27Å
3V82.6Confident87.4Confident99 Ų9975.6 Ų75.660%0.636%0.364SS*.Hα-helixtrans-59.3-47.4177.4178.30000111.8M1 L5 L6 L7M1-V3 VanDerWaalsContact C-N 3.3Å; M1-V3 PolarHBondContact O-N 2.7Å; V3-L5 VanDerWaalsContact C-N 3.33Å; V3-L5 PolarHBondContact O-N 2.98Å; V3-L6 PolarHBondContact O-N 3.23Å; V3-L7 HydrophobicContact CG1-CD1 3.7Å; V3-L7 HydrophobicContact CG1-CG 4.27Å; V3-L7 WeakPolarHBondContact O-CB 3.24Å; V3-L7 VanDerWaalsContact O-CG 3.27Å; V3-L7 WeakPolarHBondContact O-CG 3.46Å; V3-L7 PolarHBondContact O-N 3.2Å
4Y80Confident87.9Confident74 Ų7473.9 Ų73.929%0.2936%0.357SS..Hα-helixtrans-64.5-38.6178.1-72.9-75.8000112.3M1 H2 R8 F149 A166M1-Y4 PolarHBondContact O-N 3.42Å; H2-Y4 PolarHBondContact O-N 3.12Å; Y4-R8 WeakPolarHBondContact O-CB 3.22Å; Y4-R8 PolarHBondContact O-N 3.35Å; Y4-F149 AromaticContact CE2-CD2 3.86Å; Y4-F149 HydrophobicContact CE2-CD2 3.86Å; Y4-F149 AromaticContact CE2-CE2 3.97Å; Y4-F149 HydrophobicContact CE2-CE2 3.97Å; Y4-F149 HydrophobicContact CE2-CG 4.38Å; Y4-A166 HydrophobicContact CD1-CB 4.44Å; Y4-A166 HydrophobicContact CE1-CB 4.17Å
5L85.4Confident88.4Confident44 Ų4469.3 Ų69.323%0.2334%0.335CS..Hα-helixtrans-60.9-49.9176.5-176.3151.3000111.1M1 H2 V3 R9 L143M1-L5 PolarHBondContact O-N 3.35Å; M1-L5 VanDerWaalsContact O-N 3.14Å; H2-L5 PolarHBondContact O-N 3.27Å; V3-L5 VanDerWaalsContact C-N 3.33Å; V3-L5 PolarHBondContact O-N 2.98Å; L5-R9 WeakPolarHBondContact O-CB 3.18Å; L5-R9 PolarHBondContact O-N 3.41Å; L5-L143 HydrophobicContact CD1-CB 4.49Å
6L88.8Confident88.7Confident97 Ų9765.4 Ų65.451%0.50832%0.316SS..Hα-helixtrans-67.3-46.1-178.7-69.6174.9000112.2H2 V3 R8 R9 Y10H2-L6 WeakPolarHBondContact O-CG 3.26Å; H2-L6 PolarHBondContact O-N 3.27Å; V3-L6 PolarHBondContact O-N 3.23Å; L6-R8 VanDerWaalsContact C-N 3.33Å; L6-R8 PolarHBondContact O-N 3.38Å; L6-R9 PolarHBondContact O-N 3.4Å; L6-Y10 WeakPolarHBondContact O-CB 3.45Å; L6-Y10 PolarHBondContact O-N 2.98Å
7L90.6Very high89.1Confident111 Ų11164.2 Ų64.258%0.58131%0.31SS*.Hα-helixtrans-60.4-43.7177.8-72.8174.4000111.5V3 Y10 Y11V3-L7 HydrophobicContact CG1-CD1 3.7Å; V3-L7 HydrophobicContact CG1-CG 4.27Å; V3-L7 WeakPolarHBondContact O-CB 3.24Å; V3-L7 VanDerWaalsContact O-CG 3.27Å; V3-L7 WeakPolarHBondContact O-CG 3.46Å; V3-L7 PolarHBondContact O-N 3.2Å; L7-Y10 PolarHBondContact O-N 3.4Å; L7-Y11 WeakPolarHBondContact O-CB 3.32Å; L7-Y11 PolarHBondContact O-N 3.45Å
8R90.9Very high89.3Confident16 Ų1662.8 Ų62.86%0.0630%0.304CS..Hα-helixtrans-70.3-39.1179.7-178.258.5178.1-134.14112.3Y4 L6 Y10 Y11 L12 A145 F169Y4-R8 WeakPolarHBondContact O-CB 3.22Å; Y4-R8 PolarHBondContact O-N 3.35Å; L6-R8 VanDerWaalsContact C-N 3.33Å; L6-R8 PolarHBondContact O-N 3.38Å; R8-Y10 VanDerWaalsContact C-N 3.33Å; R8-Y11 PolarHBondContact O-N 2.7Å; R8-L12 HydrophobicContact CG-CD1 4.31Å; R8-L12 WeakPolarHBondContact O-CG 3.08Å; R8-L12 PolarHBondContact O-N 3.46Å; R8-A145 HydrophobicContact CB-CB 4.24Å; R8-A145 HydrophobicContact CG-CB 4.01Å; R8-F169 VanDerWaalsContact NH1-CE1 3.27Å
9R91.6Very high89.5Confident82 Ų8262.1 Ų62.131%0.30930%0.302SS..Hα-helixtrans-58.2-48174.1-175.8-172.170.589.6-0.7110.5L5 L6 L12 A13 N135 F138L5-R9 WeakPolarHBondContact O-CB 3.18Å; L5-R9 PolarHBondContact O-N 3.41Å; L6-R9 PolarHBondContact O-N 3.4Å; R9-L12 PolarHBondContact O-N 2.67Å; R9-A13 PolarHBondContact O-N 2.98Å; R9-A13 VanDerWaalsContact O-N 3.07Å; R9-N135 PolarHBondContact NH1-OD1 2.89Å; R9-F138 HydrophobicContact CG-CB 3.81Å
10Y93.6Very high89.6Confident149 Ų14960 Ų6058%0.58429%0.291SS*.Hα-helixtrans-62.6-44177.9-177.4-109.2000112.2L6 L7 R8 L12 A13 I14L6-Y10 WeakPolarHBondContact O-CB 3.45Å; L6-Y10 PolarHBondContact O-N 2.98Å; L7-Y10 PolarHBondContact O-N 3.4Å; R8-Y10 VanDerWaalsContact C-N 3.33Å; Y10-L12 PolarHBondContact O-N 3.5Å; Y10-A13 WeakPolarHBondContact O-CB 3.21Å; Y10-A13 PolarHBondContact O-N 3.05Å; Y10-I14 HydrophobicContact CD1-CD1 3.75Å; Y10-I14 HydrophobicContact CE1-CD1 3.25Å; Y10-I14 HydrophobicContact CE1-CG1 4.27Å; Y10-I14 HydrophobicContact CE2-CD1 4.31Å; Y10-I14 HydrophobicContact CG-CD1 4.46Å; Y10-I14 PolarHBondContact O-N 2.91Å
11Y94.7Very high89.6Confident25 Ų2560.7 Ų60.710%0.09829%0.293CS..Hα-helixtrans-59.1-44.3176.1179.7-114.3000112.9L7 R8 A13 I14 L15 L170 H173 V417 L421L7-Y11 WeakPolarHBondContact O-CB 3.32Å; L7-Y11 PolarHBondContact O-N 3.45Å; R8-Y11 PolarHBondContact O-N 2.7Å; Y11-A13 VanDerWaalsContact C-N 3.33Å; Y11-A13 PolarHBondContact O-N 3.45Å; Y11-I14 PolarHBondContact O-N 3.1Å; Y11-L15 HydrophobicContact CD1-CD1 3.77Å; Y11-L15 HydrophobicContact CD2-CD1 4.42Å; Y11-L15 HydrophobicContact CE1-CD1 3.27Å; Y11-L15 HydrophobicContact CE1-CG 4.3Å; Y11-L15 HydrophobicContact CE2-CD1 3.98Å; Y11-L15 HydrophobicContact CE2-CD2 4.39Å; Y11-L15 HydrophobicContact CE2-CG 4.17Å; Y11-L15 HydrophobicContact CG-CD1 4.33Å; Y11-L15 WeakPolarHBondContact O-CG 3.46Å; Y11-L15 PolarHBondContact O-N 2.79Å; Y11-L170 HydrophobicContact CD1-CD1 3.8Å; Y11-L170 HydrophobicContact CE1-CD1 3.47Å; Y11-L170 VanDerWaalsContact CE1-CD1 3.47Å; Y11-L170 HydrophobicContact CE2-CD1 4.43Å; Y11-L170 HydrophobicContact CG-CD1 4.38Å; Y11-H173 PolarHBondContact OH-CE1 3.2Å; Y11-H173 PolarHBondContact OH-ND1 3.36Å; Y11-V417 HydrophobicContact CE2-CG1 4.11Å; Y11-L421 HydrophobicContact CD2-CD2 4.1Å; Y11-L421 HydrophobicContact CE2-CD1 4.09Å; Y11-L421 HydrophobicContact CE2-CD2 3.67Å; Y11-L421 HydrophobicContact CE2-CG 3.93Å
12L94.9Very high90.6Very high1 Ų155.8 Ų55.81%0.00527%0.269CS..Hα-helixtrans-64.5-38.1176.5-72172.7000112.2R8 R9 Y10 L15 F16 F138 T179 M180R8-L12 HydrophobicContact CG-CD1 4.31Å; R8-L12 WeakPolarHBondContact O-CG 3.08Å; R8-L12 PolarHBondContact O-N 3.46Å; R9-L12 PolarHBondContact O-N 2.67Å; Y10-L12 PolarHBondContact O-N 3.5Å; L12-L15 PolarHBondContact O-N 3.29Å; L12-F16 WeakPolarHBondContact O-CB 3.45Å; L12-F16 PolarHBondContact O-N 3.31Å; L12-F138 HydrophobicContact CB-CB 4.31Å; L12-F138 HydrophobicContact CB-CD1 3.82Å; L12-F138 HydrophobicContact CB-CD2 4.29Å; L12-F138 HydrophobicContact CB-CE1 4.16Å; L12-F138 HydrophobicContact CB-CG 3.89Å; L12-F138 HydrophobicContact CD1-CB 4.38Å; L12-F138 HydrophobicContact CD1-CD1 4.17Å; L12-T179 HydrophobicContact CD1-CG2 4.2Å; L12-M180 HydrophobicContact CD2-CB 4.3Å
13A94.4Very high91.1Very high32 Ų3249.6 Ų49.626%0.26424%0.243SC..Hα-helixtrans-62.8-43.9176.500000112R9 Y10 Y11 F16 E17 F138R9-A13 PolarHBondContact O-N 2.98Å; R9-A13 VanDerWaalsContact O-N 3.07Å; Y10-A13 WeakPolarHBondContact O-CB 3.21Å; Y10-A13 PolarHBondContact O-N 3.05Å; Y11-A13 VanDerWaalsContact C-N 3.33Å; Y11-A13 PolarHBondContact O-N 3.45Å; A13-F16 PolarHBondContact O-N 2.65Å; A13-E17 WeakPolarHBondContact O-CB 3.12Å; A13-E17 PolarHBondContact O-N 3.14Å; A13-F138 HydrophobicContact CB-CD2 4.02Å; A13-F138 HydrophobicContact CB-CE2 4.04Å
14I94.9Very high91.4Very high51 Ų5146.8 Ų46.826%0.26222%0.223SC..Hα-helixtrans-61.4-47.3174.9-67.5166.3000110.8Y10 Y11 F16 E17 N18 L421Y10-I14 HydrophobicContact CD1-CD1 3.75Å; Y10-I14 HydrophobicContact CE1-CD1 3.25Å; Y10-I14 HydrophobicContact CE1-CG1 4.27Å; Y10-I14 HydrophobicContact CE2-CD1 4.31Å; Y10-I14 HydrophobicContact CG-CD1 4.46Å; Y10-I14 PolarHBondContact O-N 2.91Å; Y11-I14 PolarHBondContact O-N 3.1Å; I14-F16 VanDerWaalsContact C-N 3.31Å; I14-F16 PolarHBondContact O-N 3.47Å; I14-E17 PolarHBondContact O-N 3.33Å; I14-N18 WeakPolarHBondContact O-CB 2.99Å; I14-N18 PolarHBondContact O-N 3.44Å; I14-N18 PolarHBondContact O-OD1 3.34Å; I14-L421 HydrophobicContact CB-CD2 4.5Å; I14-L421 HydrophobicContact CG2-CD2 3.72Å
15L94.6Very high91.8Very high5 Ų543.4 Ų43.43%0.02621%0.21CC..Hα-helixtrans-62.5-39.1-179.1-71.4171.7000112.4Y11 L12 D19 M180 E420 L421Y11-L15 HydrophobicContact CD1-CD1 3.77Å; Y11-L15 HydrophobicContact CD2-CD1 4.42Å; Y11-L15 HydrophobicContact CE1-CD1 3.27Å; Y11-L15 HydrophobicContact CE1-CG 4.3Å; Y11-L15 HydrophobicContact CE2-CD1 3.98Å; Y11-L15 HydrophobicContact CE2-CD2 4.39Å; Y11-L15 HydrophobicContact CE2-CG 4.17Å; Y11-L15 HydrophobicContact CG-CD1 4.33Å; Y11-L15 WeakPolarHBondContact O-CG 3.46Å; Y11-L15 PolarHBondContact O-N 2.79Å; L12-L15 PolarHBondContact O-N 3.29Å; L15-D19 VanDerWaalsContact O-CB 3.32Å; L15-D19 WeakPolarHBondContact O-CB 2.91Å; L15-D19 PolarHBondContact O-N 2.87Å; L15-M180 HydrophobicContact CB-CB 3.97Å; L15-M180 HydrophobicContact CB-CE 4.32Å; L15-M180 HydrophobicContact CB-CG 4.45Å; L15-M180 HydrophobicContact CB-SD 4.38Å; L15-M180 HydrophobicContact CD1-CE 3.85Å; L15-M180 HydrophobicContact CD1-SD 3.72Å; L15-M180 HydrophobicContact CD2-CE 4.28Å; L15-M180 HydrophobicContact CG-CE 4.39Å; L15-E420 HydrophobicContact CD2-CB 4.02Å; L15-L421 HydrophobicContact CD2-CD2 3.92Å; L15-L421 HydrophobicContact CD2-CG 4.43Å; L15-L421 HydrophobicContact CG-CD2 4.39Å
16F94.5Very high92.1Very high7 Ų741.3 Ų41.33%0.03120%0.199CC..Hα-helixtrans-66-43.4176.1-177.8-114.2000112.4L12 A13 I14 D19 R20 F22 V134 F138 M180 P183L12-F16 WeakPolarHBondContact O-CB 3.45Å; L12-F16 PolarHBondContact O-N 3.31Å; A13-F16 PolarHBondContact O-N 2.65Å; I14-F16 VanDerWaalsContact C-N 3.31Å; I14-F16 PolarHBondContact O-N 3.47Å; F16-D19 PolarHBondContact O-N 3.36Å; F16-R20 VanDerWaalsContact CE2-CD 3.44Å; F16-R20 PolarHBondContact O-N 3.44Å; F16-R20 VanDerWaalsContact O-N 3.16Å; F16-F22 HydrophobicContact CD1-CB 4.21Å; F16-F22 HydrophobicContact CD1-CG 4.27Å; F16-F22 HydrophobicContact CE1-CB 3.84Å; F16-F22 AromaticContact CE1-CD1 3.71Å; F16-F22 HydrophobicContact CE1-CD1 3.71Å; F16-F22 AromaticContact CE1-CD2 3.59Å; F16-F22 HydrophobicContact CE1-CD2 3.59Å; F16-F22 HydrophobicContact CE1-CE1 4.09Å; F16-F22 AromaticContact CE1-CE2 3.99Å; F16-F22 HydrophobicContact CE1-CE2 3.99Å; F16-F22 AromaticContact CE1-CG 3.43Å; F16-F22 HydrophobicContact CE1-CG 3.43Å; F16-F22 VanDerWaalsContact CE1-CG 3.43Å; F16-F22 HydrophobicContact CE1-CZ 4.21Å; F16-F22 HydrophobicContact CZ-CD1 4.47Å; F16-F22 AromaticContact CZ-CD2 3.64Å; F16-F22 HydrophobicContact CZ-CD2 3.64Å; F16-F22 AromaticContact CZ-CE2 3.78Å; F16-F22 HydrophobicContact CZ-CE2 3.78Å; F16-F22 HydrophobicContact CZ-CG 4Å; F16-F22 HydrophobicContact CZ-CZ 4.26Å; F16-V134 HydrophobicContact CD1-CG1 4.22Å; F16-V134 HydrophobicContact CE1-CG1 4.07Å; F16-V134 HydrophobicContact CE1-CG2 4.47Å; F16-V134 HydrophobicContact CZ-CG1 4.34Å; F16-V134 HydrophobicContact CZ-CG2 4.32Å; F16-F138 HydrophobicContact CB-CE2 4.11Å; F16-F138 HydrophobicContact CB-CZ 3.56Å; F16-F138 HydrophobicContact CD1-CE2 4.41Å; F16-F138 HydrophobicContact CD1-CZ 4.1Å; F16-F138 HydrophobicContact CD2-CZ 4.35Å; F16-F138 HydrophobicContact CG-CE2 4.41Å; F16-F138 AromaticContact CG-CZ 3.77Å; F16-F138 HydrophobicContact CG-CZ 3.77Å; F16-M180 WeakPolarHBondContact CD2-O 3.35Å; F16-P183 HydrophobicContact CE2-CG 4.44Å
17E94.6Very high92.1Very high46 Ų4641.3 Ų41.322%0.21520%0.197CC..Hα-helixtrans-64.5-43.5176.5-172.157.4-147.400111.2A13 I14 D19 H21 F22 S23A13-E17 WeakPolarHBondContact O-CB 3.12Å; A13-E17 PolarHBondContact O-N 3.14Å; I14-E17 PolarHBondContact O-N 3.33Å; E17-D19 VanDerWaalsContact C-N 3.32Å; E17-D19 PolarHBondContact O-N 2.99Å; E17-H21 WeakPolarHBondContact O-CA 3.14Å; E17-H21 PolarHBondContact O-N 3.15Å; E17-H21 VanDerWaalsContact OE1-C 3.28Å; E17-H21 IonicContact OE1-CD2 3.92Å; E17-H21 PolarHBondContact OE1-CD2 2.89Å; E17-F22 PolarHBondContact OE1-N 2.8Å; E17-F22 WeakPolarHBondContact OE2-CB 3.28Å; E17-F22 PolarHBondContact OE2-N 3.14Å; E17-S23 VanDerWaalsContact OE1-CB 3.23Å; E17-S23 WeakPolarHBondContact OE1-CB 3.09Å; E17-S23 PolarHBondContact OE1-N 3.4Å; E17-S23 PolarHBondContact OE1-OG 3.01Å; E17-S23 PolarHBondContact OE2-N 3.31Å; E17-S23 VanDerWaalsContact OE2-N 3.15Å
18N93.7Very high92.1Very high38 Ų3837.5 Ų37.520%0.20318%0.176CC..Hα-helixtrans-62.9-34.7176.7-81.64.9000113.5I14 L421 I423 G425I14-N18 WeakPolarHBondContact O-CB 2.99Å; I14-N18 PolarHBondContact O-N 3.44Å; I14-N18 PolarHBondContact O-OD1 3.34Å; N18-L421 PolarHBondContact ND2-O 2.86Å; N18-I423 VanDerWaalsContact CB-O 3.24Å; N18-I423 WeakPolarHBondContact CB-O 3.36Å; N18-G425 PolarHBondContact O-N 2.82Å
19D91.8Very high92.1Very high49 Ų4937.5 Ų37.526%0.26218%0.177SC..Hα-helixtrans-76.2-39.3-179-177.673.8000112.3L15 F16 E17 W181 G425L15-D19 VanDerWaalsContact O-CB 3.32Å; L15-D19 WeakPolarHBondContact O-CB 2.91Å; L15-D19 PolarHBondContact O-N 2.87Å; F16-D19 PolarHBondContact O-N 3.36Å; E17-D19 VanDerWaalsContact C-N 3.32Å; E17-D19 PolarHBondContact O-N 2.99Å; D19-W181 PolarHBondContact OD1-NE1 2.8Å; D19-G425 CarbonylContact O-C 3.6Å; D19-G425 WeakPolarHBondContact O-CA 3.34Å
20R91.1Very high92.2Very high21 Ų2133.8 Ų33.88%0.07916%0.163CC..Hα-helixtrans-115.4-16.9-168.2-60.9-175.8178.5-154-6.4115.1F16 F22 S33 W181 F427F16-R20 VanDerWaalsContact CE2-CD 3.44Å; F16-R20 PolarHBondContact O-N 3.44Å; F16-R20 VanDerWaalsContact O-N 3.16Å; R20-F22 VanDerWaalsContact C-N 3.3Å; R20-F22 HydrophobicContact CB-CB 4.43Å; R20-S33 PolarHBondContact NH1-O 3.49Å; R20-S33 PolarHBondContact NH1-OG 3.5Å; R20-S33 PolarHBondContact NH2-O 3.39Å; R20-W181 PolarHBondContact NH2-O 3.22Å; R20-F427 HydrophobicContact CB-CB 4.42Å; R20-F427 PolarHBondContact O-N 2.76Å; R20-F427 VanDerWaalsContact O-N 3.08Å
21H90.7Very high92.3Very high75 Ų7526.9 Ų26.935%0.34714%0.136SC..  trans52.149.4-165.5-158.9-170.2000111.5E17 S23 H24 E426E17-H21 WeakPolarHBondContact O-CA 3.14Å; E17-H21 PolarHBondContact O-N 3.15Å; E17-H21 VanDerWaalsContact OE1-C 3.28Å; E17-H21 IonicContact OE1-CD2 3.92Å; E17-H21 PolarHBondContact OE1-CD2 2.89Å; H21-S23 PolarHBondContact O-N 3.25Å; H21-H24 WeakPolarHBondContact O-CB 3.24Å; H21-H24 PolarHBondContact O-N 3.08Å; H21-E426 HydrophobicContact CB-CB 4.5Å; H21-E426 HydrophobicContact CB-CG 4.43Å
22F91Very high92.2Very high0 Ų025.7 Ų25.70%013%0.131CC..THydrogen-bonded Turntrans-62.4-27.4-166.4-162.6-101.9000113.5F16 E17 R20 H24 L25 R30 F34 F130 Y131F16-F22 HydrophobicContact CD1-CB 4.21Å; F16-F22 HydrophobicContact CD1-CG 4.27Å; F16-F22 HydrophobicContact CE1-CB 3.84Å; F16-F22 AromaticContact CE1-CD1 3.71Å; F16-F22 HydrophobicContact CE1-CD1 3.71Å; F16-F22 AromaticContact CE1-CD2 3.59Å; F16-F22 HydrophobicContact CE1-CD2 3.59Å; F16-F22 HydrophobicContact CE1-CE1 4.09Å; F16-F22 AromaticContact CE1-CE2 3.99Å; F16-F22 HydrophobicContact CE1-CE2 3.99Å; F16-F22 AromaticContact CE1-CG 3.43Å; F16-F22 HydrophobicContact CE1-CG 3.43Å; F16-F22 VanDerWaalsContact CE1-CG 3.43Å; F16-F22 HydrophobicContact CE1-CZ 4.21Å; F16-F22 HydrophobicContact CZ-CD1 4.47Å; F16-F22 AromaticContact CZ-CD2 3.64Å; F16-F22 HydrophobicContact CZ-CD2 3.64Å; F16-F22 AromaticContact CZ-CE2 3.78Å; F16-F22 HydrophobicContact CZ-CE2 3.78Å; F16-F22 HydrophobicContact CZ-CG 4Å; F16-F22 HydrophobicContact CZ-CZ 4.26Å; E17-F22 PolarHBondContact OE1-N 2.8Å; E17-F22 WeakPolarHBondContact OE2-CB 3.28Å; E17-F22 PolarHBondContact OE2-N 3.14Å; R20-F22 VanDerWaalsContact C-N 3.3Å; R20-F22 HydrophobicContact CB-CB 4.43Å; F22-H24 VanDerWaalsContact C-N 3.31Å; F22-H24 PolarHBondContact O-N 2.93Å; F22-L25 HydrophobicContact CD2-CD1 4.05Å; F22-L25 PolarHBondContact O-N 2.62Å; F22-R30 HydrophobicContact CD1-CG 4.45Å; F22-R30 HydrophobicContact CD2-CG 4.14Å; F22-R30 HydrophobicContact CE1-CG 3.99Å; F22-R30 HydrophobicContact CE2-CB 3.8Å; F22-R30 HydrophobicContact CE2-CG 3.63Å; F22-R30 HydrophobicContact CZ-CB 3.72Å; F22-R30 HydrophobicContact CZ-CG 3.55Å; F22-R30 PolarHBondContact O-NE 3.46Å; F22-R30 VanDerWaalsContact O-NE 3.08Å; F22-R30 PolarHBondContact O-NH2 2.9Å; F22-F34 HydrophobicContact CE2-CE2 4.22Å; F22-F34 HydrophobicContact CZ-CE2 4.16Å; F22-F34 HydrophobicContact CZ-CZ 4.38Å; F22-F130 HydrophobicContact CE1-CB 3.85Å; F22-F130 HydrophobicContact CZ-CB 3.84Å; F22-F130 HydrophobicContact CZ-CD1 4.21Å; F22-F130 HydrophobicContact CZ-CG 4.28Å; F22-Y131 HydrophobicContact CD1-CE1 4.15Å; F22-Y131 HydrophobicContact CD1-CE2 4.1Å; F22-Y131 AromaticContact CD1-CZ 3.79Å; F22-Y131 HydrophobicContact CE1-CD2 4.45Å; F22-Y131 HydrophobicContact CE1-CE2 4.18Å
23S89.6Confident92.1Very high20 Ų2025.8 Ų25.814%0.1413%0.132CC..THydrogen-bonded Turntrans-63.7-31.5172.564.80000113.8E17 H21 S122 Y131E17-S23 VanDerWaalsContact OE1-CB 3.23Å; E17-S23 WeakPolarHBondContact OE1-CB 3.09Å; E17-S23 PolarHBondContact OE1-N 3.4Å; E17-S23 PolarHBondContact OE1-OG 3.01Å; E17-S23 PolarHBondContact OE2-N 3.31Å; E17-S23 VanDerWaalsContact OE2-N 3.15Å; H21-S23 PolarHBondContact O-N 3.25Å; S23-S122 WeakPolarHBondContact O-CB 3.37Å; S23-Y131 WeakPolarHBondContact CA-OH 3.21Å; S23-Y131 PolarHBondContact N-OH 3.12Å
24H87.6Confident92Very high39 Ų3924.3 Ų24.318%0.18112%0.119CC..THydrogen-bonded Turntrans-76.5-30.9179.4-168.9-109.6000112.8H21 F22 T111 S122 E426H21-H24 WeakPolarHBondContact O-CB 3.24Å; H21-H24 PolarHBondContact O-N 3.08Å; F22-H24 VanDerWaalsContact C-N 3.31Å; F22-H24 PolarHBondContact O-N 2.93Å; H24-T111 PolarHBondContact O-OG1 3.27Å; H24-S122 PolarHBondContact O-OG 2.93Å; H24-E426 IonicContact ND1-OE1 3.27Å
25L89.5Confident91.7Very high3 Ų327.9 Ų27.92%0.01613%0.13CC..  trans-69.3137.8-172.7-56.3-177.9000113.1F22 E29 R30 S122 F427F22-L25 HydrophobicContact CD2-CD1 4.05Å; F22-L25 PolarHBondContact O-N 2.62Å; L25-E29 HydrophobicContact CB-CB 3.91Å; L25-E29 HydrophobicContact CD2-CB 4.11Å; L25-E29 HydrophobicContact CG-CB 4.4Å; L25-R30 HydrophobicContact CB-CG 3.68Å; L25-R30 HydrophobicContact CD1-CG 4.42Å; L25-R30 VanDerWaalsContact O-CZ 3.24Å; L25-R30 PolarHBondContact O-NE 3.48Å; L25-R30 PolarHBondContact O-NH2 2.73Å; L25-S122 PolarHBondContact O-OG 2.91Å; L25-F427 HydrophobicContact CD1-CB 4.01Å; L25-F427 HydrophobicContact CD1-CD1 4.07Å; L25-F427 HydrophobicContact CD1-CG 4.41Å; L25-F427 HydrophobicContact CD2-CB 4.35Å; L25-F427 HydrophobicContact CD2-CD1 4.4Å; L25-F427 WeakPolarHBondContact CD2-O 3.43Å
26G90.1Very high91.5Very high1 Ų129.6 Ų29.61%0.0114%0.142CC..  trans-72.6173.7167.800000112.8M28 E29 R30G26-M28 VanDerWaalsContact C-N 3.35Å; G26-M28 PolarHBondContact O-N 3.09Å; G26-E29 PolarHBondContact N-OE2 2.97Å; G26-E29 PolarHBondContact O-N 3.43Å; G26-R30 VanDerWaalsContact O-CG 3.3Å; G26-R30 WeakPolarHBondContact O-CG 3.04Å; G26-R30 PolarHBondContact O-N 2.73Å
27E90.5Very high91.4Very high97 Ų9730.8 Ų30.845%0.45315%0.148SC..Hα-helixtrans-56.2-46-177.7177.9165.2-158.100112.6E29 R30 E31 K129 F130E27-E29 PolarHBondContact O-N 3.2Å; E27-R30 PolarHBondContact O-N 2.69Å; E27-E31 WeakPolarHBondContact O-CG 3.29Å; E27-E31 PolarHBondContact O-N 3.49Å; E27-E31 VanDerWaalsContact O-N 3.08Å; E27-K129 WeakPolarHBondContact OE1-CE 3.46Å; E27-K129 IonicContact OE1-NZ 3.21Å; E27-K129 PolarHBondContact OE1-NZ 3.39Å; E27-F130 HydrophobicContact CG-CE2 3.83Å; E27-F130 HydrophobicContact CG-CZ 3.96Å
28M89.8Confident91.3Very high30 Ų3029 Ų2915%0.14814%0.14CC..Hα-helixtrans-62.3-44.3179.5-167.868.5175.200112.3G26 E31 M32 E433 L436G26-M28 VanDerWaalsContact C-N 3.35Å; G26-M28 PolarHBondContact O-N 3.09Å; M28-E31 PolarHBondContact O-N 2.89Å; M28-M32 HydrophobicContact CG-CE 4.33Å; M28-M32 WeakPolarHBondContact O-CG 3.48Å; M28-M32 PolarHBondContact O-N 3.22Å; M28-E433 HydrophobicContact CG-CG 4.23Å; M28-L436 HydrophobicContact CE-CB 3.15Å; M28-L436 HydrophobicContact CE-CD1 3.78Å; M28-L436 HydrophobicContact CE-CG 4.08Å
29E91.6Very high91.3Very high16 Ų1627.2 Ų27.28%0.07513%0.13CC..Hα-helixtrans-67.1-39.2-179.8-67163.5148.700111.6L25 G26 E27 E31 M32 S33 R113 F427L25-E29 HydrophobicContact CB-CB 3.91Å; L25-E29 HydrophobicContact CD2-CB 4.11Å; L25-E29 HydrophobicContact CG-CB 4.4Å; G26-E29 PolarHBondContact N-OE2 2.97Å; G26-E29 PolarHBondContact O-N 3.43Å; E27-E29 PolarHBondContact O-N 3.2Å; E29-E31 VanDerWaalsContact C-N 3.32Å; E29-E31 PolarHBondContact O-N 3.1Å; E29-M32 HydrophobicContact CB-CE 4.22Å; E29-M32 HydrophobicContact CG-CE 3.87Å; E29-M32 PolarHBondContact O-N 3.28Å; E29-S33 PolarHBondContact O-N 2.88Å; E29-R113 WeakPolarHBondContact OE1-CD 2.99Å; E29-R113 IonicContact OE1-CZ 3.42Å; E29-R113 IonicContact OE1-NE 2.76Å; E29-R113 IonicContact OE1-NH1 3.8Å; E29-R113 PolarHBondContact OE1-NH1 2.97Å; E29-R113 IonicContact OE2-NH1 3.72Å; E29-F427 WeakPolarHBondContact O-CE1 3.41Å
30R93.7Very high91.5Very high4 Ų424.9 Ų24.92%0.01512%0.118CC..Hα-helixtrans-59.7-43.9172.8-71.6178.3-179.3162.64.8111.1F22 L25 G26 E27 S33 F34 C123 F130F22-R30 HydrophobicContact CD1-CG 4.45Å; F22-R30 HydrophobicContact CD2-CG 4.14Å; F22-R30 HydrophobicContact CE1-CG 3.99Å; F22-R30 HydrophobicContact CE2-CB 3.8Å; F22-R30 HydrophobicContact CE2-CG 3.63Å; F22-R30 HydrophobicContact CZ-CB 3.72Å; F22-R30 HydrophobicContact CZ-CG 3.55Å; F22-R30 PolarHBondContact O-NE 3.46Å; F22-R30 VanDerWaalsContact O-NE 3.08Å; F22-R30 PolarHBondContact O-NH2 2.9Å; L25-R30 HydrophobicContact CB-CG 3.68Å; L25-R30 HydrophobicContact CD1-CG 4.42Å; L25-R30 VanDerWaalsContact O-CZ 3.24Å; L25-R30 PolarHBondContact O-NE 3.48Å; L25-R30 PolarHBondContact O-NH2 2.73Å; G26-R30 VanDerWaalsContact O-CG 3.3Å; G26-R30 WeakPolarHBondContact O-CG 3.04Å; G26-R30 PolarHBondContact O-N 2.73Å; E27-R30 PolarHBondContact O-N 2.69Å; R30-S33 WeakPolarHBondContact O-CB 3.45Å; R30-S33 PolarHBondContact O-N 3.26Å; R30-S33 PolarHBondContact O-OG 3.34Å; R30-F34 WeakPolarHBondContact O-CD2 3.42Å; R30-F34 WeakPolarHBondContact O-CE2 3.47Å; R30-C123 PolarHBondContact NH1-O 3.06Å; R30-C123 PolarHBondContact NH2-O 2.94Å; R30-C123 VanDerWaalsContact NH2-O 3.08Å; R30-F130 HydrophobicContact CB-CD1 3.86Å; R30-F130 HydrophobicContact CB-CE1 3.82Å; R30-F130 HydrophobicContact CB-CG 4.25Å; R30-F130 HydrophobicContact CB-CZ 4.22Å
31E94.3Very high91.7Very high4 Ų424 Ų242%0.01912%0.115CC..Hα-helixtrans-63.5-45.5176.3-69.6-179.9178.500112.8E27 M28 E29 S33 F34 K46 F130 L461 S462E27-E31 WeakPolarHBondContact O-CG 3.29Å; E27-E31 PolarHBondContact O-N 3.49Å; E27-E31 VanDerWaalsContact O-N 3.08Å; M28-E31 PolarHBondContact O-N 2.89Å; E29-E31 VanDerWaalsContact C-N 3.32Å; E29-E31 PolarHBondContact O-N 3.1Å; E31-S33 PolarHBondContact O-N 2.88Å; E31-F34 WeakPolarHBondContact O-CB 3.39Å; E31-F34 PolarHBondContact O-N 3.4Å; E31-K46 VanDerWaalsContact CD-NZ 3.28Å; E31-K46 VanDerWaalsContact OE1-CE 3.25Å; E31-K46 WeakPolarHBondContact OE1-CE 3.48Å; E31-K46 IonicContact OE1-NZ 3.62Å; E31-K46 PolarHBondContact OE1-NZ 2.97Å; E31-K46 IonicContact OE2-NZ 2.96Å; E31-K46 PolarHBondContact OE2-NZ 3.26Å; E31-F130 HydrophobicContact CG-CE1 3.51Å; E31-F130 HydrophobicContact CG-CZ 3.45Å; E31-F130 VanDerWaalsContact CG-CZ 3.45Å; E31-L461 HydrophobicContact CB-CD2 3.8Å; E31-L461 HydrophobicContact CB-CG 3.94Å; E31-L461 HydrophobicContact CG-CD1 4.33Å; E31-L461 HydrophobicContact CG-CD2 4.19Å; E31-L461 HydrophobicContact CG-CG 4.08Å; E31-L461 WeakPolarHBondContact O-CD2 3.49Å; E31-S462 WeakPolarHBondContact CB-OG 3.25Å; E31-S462 WeakPolarHBondContact OE2-CA 3.44Å; E31-S462 WeakPolarHBondContact OE2-CB 3.35Å; E31-S462 PolarHBondContact OE2-OG 3.31Å
32M92.6Very high92Very high1 Ų120.5 Ų20.51%0.00510%0.098CC..Hα-helixtrans-62.2-28.9176.4-68.6-174.6-61.600112.8M28 E29 F34 R35 F427 Q432 E433 L436M28-M32 HydrophobicContact CG-CE 4.33Å; M28-M32 WeakPolarHBondContact O-CG 3.48Å; M28-M32 PolarHBondContact O-N 3.22Å; E29-M32 HydrophobicContact CB-CE 4.22Å; E29-M32 HydrophobicContact CG-CE 3.87Å; E29-M32 PolarHBondContact O-N 3.28Å; M32-F34 PolarHBondContact O-N 3.11Å; M32-R35 WeakPolarHBondContact O-CG 3.19Å; M32-F427 HydrophobicContact CB-CE1 3.88Å; M32-F427 HydrophobicContact CB-CZ 3.85Å; M32-Q432 HydrophobicContact SD-CB 4.28Å; M32-Q432 HydrophobicContact SD-CG 4.18Å; M32-E433 HydrophobicContact CE-CB 3.64Å; M32-E433 HydrophobicContact CE-CG 3.72Å; M32-E433 WeakPolarHBondContact SD-CA 3.19Å; M32-E433 HydrophobicContact SD-CB 3.82Å; M32-E433 HydrophobicContact SD-CG 4.26Å; M32-E433 PolarHBondContact SD-N 3.34Å; M32-E433 VanDerWaalsContact SD-N 3.4Å; M32-L436 HydrophobicContact CG-CD1 3.64Å; M32-L436 HydrophobicContact SD-CD1 3.8Å
33S92.9Very high92.2Very high3 Ų320.6 Ų20.62%0.02110%0.099CC..Hα-helixtrans-65.6-20.4174.886.30000112.6R20 E29 R30 E31 R35R20-S33 PolarHBondContact NH1-O 3.49Å; R20-S33 PolarHBondContact NH1-OG 3.5Å; R20-S33 PolarHBondContact NH2-O 3.39Å; E29-S33 PolarHBondContact O-N 2.88Å; R30-S33 WeakPolarHBondContact O-CB 3.45Å; R30-S33 PolarHBondContact O-N 3.26Å; R30-S33 PolarHBondContact O-OG 3.34Å; E31-S33 PolarHBondContact O-N 2.88Å; S33-R35 PolarHBondContact O-N 3.49Å
34F93.2Very high92.5Very high0 Ų019.7 Ų19.70%09%0.093CC..SBendtrans-86.791168.8-62.6-86.4000109.6F22 R30 E31 M32 T38 G39 Y42 F130 V134 P183 L461F22-F34 HydrophobicContact CE2-CE2 4.22Å; F22-F34 HydrophobicContact CZ-CE2 4.16Å; F22-F34 HydrophobicContact CZ-CZ 4.38Å; R30-F34 WeakPolarHBondContact O-CD2 3.42Å; R30-F34 WeakPolarHBondContact O-CE2 3.47Å; E31-F34 WeakPolarHBondContact O-CB 3.39Å; E31-F34 PolarHBondContact O-N 3.4Å; M32-F34 PolarHBondContact O-N 3.11Å; F34-T38 WeakPolarHBondContact CA-OG1 3.15Å; F34-G39 WeakPolarHBondContact O-CA 3.44Å; F34-G39 PolarHBondContact O-N 3.48Å; F34-Y42 HydrophobicContact CD2-CD1 4.36Å; F34-F130 AromaticContact CE2-CD1 3.79Å; F34-F130 HydrophobicContact CE2-CD1 3.79Å; F34-F130 HydrophobicContact CE2-CE1 4.27Å; F34-V134 HydrophobicContact CE1-CG2 4.2Å; F34-V134 HydrophobicContact CZ-CG2 3.84Å; F34-P183 HydrophobicContact CE1-CG 4.07Å; F34-L461 HydrophobicContact CB-CD2 4.28Å
35R88.6Confident92.9Very high126 Ų12617.9 Ų17.948%0.4758%0.084SC..  trans-86.4146.4-178.1-64.3-178.1167.8175.7-6.2113M32 S33 E37 T38 D429M32-R35 WeakPolarHBondContact O-CG 3.19Å; S33-R35 PolarHBondContact O-N 3.49Å; R35-E37 PolarHBondContact O-N 3.11Å; R35-T38 PolarHBondContact N-OG1 2.86Å; R35-T38 PolarHBondContact O-N 3.39Å; R35-T38 VanDerWaalsContact O-N 3.14Å; R35-T38 PolarHBondContact O-OG1 3.48Å; R35-D429 IonicContact NH2-OD2 3.33Å; R35-D429 PolarHBondContact NH2-OD2 2.86Å
36S90.8Very high93.2Very high42 Ų4219.1 Ų19.129%0.2949%0.09SC..THydrogen-bonded Turntrans54.5-129.8172.6-172.10000111.7T38 G39 F40 S457 P471S36-T38 PolarHBondContact O-N 3.25Å; S36-T38 VanDerWaalsContact O-N 3.13Å; S36-G39 PolarHBondContact O-N 3.42Å; S36-G39 VanDerWaalsContact O-N 3.1Å; S36-F40 PolarHBondContact O-N 2.92Å; S36-S457 VanDerWaalsContact CA-OG 3.25Å; S36-S457 WeakPolarHBondContact CA-OG 3.32Å; S36-S457 PolarHBondContact N-OG 3.29Å; S36-S457 WeakPolarHBondContact O-CB 3.39Å; S36-S457 PolarHBondContact O-OG 2.96Å; S36-S457 VanDerWaalsContact O-OG 3.1Å; S36-P471 WeakPolarHBondContact OG-CB 3.29Å
37E91.7Very high93.5Very high31 Ų3123 Ų2315%0.14511%0.11CC..Hα-helixtrans-55.5-30.9-179.5-166.2-177.1178.300113.2R35 F40 Y41 L185 P471R35-E37 PolarHBondContact O-N 3.11Å; E37-F40 WeakPolarHBondContact O-CB 3.36Å; E37-F40 PolarHBondContact O-N 3.01Å; E37-Y41 HydrophobicContact CG-CD2 3.91Å; E37-Y41 HydrophobicContact CG-CE2 3.32Å; E37-Y41 VanDerWaalsContact O-CD2 3.3Å; E37-Y41 WeakPolarHBondContact O-CD2 3.41Å; E37-Y41 PolarHBondContact O-N 3.37Å; E37-Y41 WeakPolarHBondContact OE1-CE2 3.35Å; E37-Y41 PolarHBondContact OE1-OH 2.82Å; E37-L185 HydrophobicContact CB-CD2 3.89Å; E37-L185 HydrophobicContact CG-CD2 3.98Å; E37-L185 WeakPolarHBondContact OE2-CD2 3.35Å; E37-P471 HydrophobicContact CB-CB 4.48Å
38T93.2Very high93.7Very high9 Ų918.4 Ų18.46%0.0559%0.089CC..Hα-helixtrans-67.1-39.8178.161.40000112.7F34 R35 S36 Y42 A182 S184 L185F34-T38 WeakPolarHBondContact CA-OG1 3.15Å; R35-T38 PolarHBondContact N-OG1 2.86Å; R35-T38 PolarHBondContact O-N 3.39Å; R35-T38 VanDerWaalsContact O-N 3.14Å; R35-T38 PolarHBondContact O-OG1 3.48Å; S36-T38 PolarHBondContact O-N 3.25Å; S36-T38 VanDerWaalsContact O-N 3.13Å; T38-Y42 WeakPolarHBondContact O-CB 3.1Å; T38-Y42 PolarHBondContact O-N 3.4Å; T38-A182 HydrophobicContact CG2-CB 3.82Å; T38-S184 VanDerWaalsContact C-OG 3.29Å; T38-S184 WeakPolarHBondContact CA-OG 3.47Å; T38-S184 WeakPolarHBondContact CB-OG 3.27Å; T38-S184 WeakPolarHBondContact O-CB 3.04Å; T38-S184 PolarHBondContact O-OG 3.21Å; T38-L185 HydrophobicContact CG2-CD2 3.78Å; T38-L185 HydrophobicContact CG2-CG 3.76Å
39G94Very high94.1Very high0 Ų017.3 Ų17.30%08%0.084CC..Hα-helixtrans-73.5-35.4175.900000111.7F34 S36 Y42 S43F34-G39 WeakPolarHBondContact O-CA 3.44Å; F34-G39 PolarHBondContact O-N 3.48Å; S36-G39 PolarHBondContact O-N 3.42Å; S36-G39 VanDerWaalsContact O-N 3.1Å; G39-Y42 PolarHBondContact O-N 2.9Å; G39-S43 WeakPolarHBondContact O-CB 3.27Å; G39-S43 PolarHBondContact O-N 3.23Å
40F94.9Very high94.2Very high0 Ų020.5 Ų20.50%010%0.101CC..Hα-helixtrans-55.8-56.4174.2-173.9-104.3000111.8S36 E37 Y42 S43 F44 T67 F79 M460 H470 H472S36-F40 PolarHBondContact O-N 2.92Å; E37-F40 WeakPolarHBondContact O-CB 3.36Å; E37-F40 PolarHBondContact O-N 3.01Å; F40-Y42 PolarHBondContact O-N 2.9Å; F40-S43 WeakPolarHBondContact O-CB 3.28Å; F40-S43 PolarHBondContact O-N 3.43Å; F40-S43 PolarHBondContact O-OG 3.22Å; F40-F44 AromaticContact CD1-CE2 3.89Å; F40-F44 HydrophobicContact CD1-CE2 3.89Å; F40-F44 AromaticContact CE1-CE2 3.55Å; F40-F44 HydrophobicContact CE1-CE2 3.55Å; F40-F44 HydrophobicContact CE1-CZ 4.03Å; F40-F44 HydrophobicContact CE2-CE2 4.2Å; F40-F44 HydrophobicContact CE2-CZ 4.14Å; F40-F44 HydrophobicContact CG-CE2 4.36Å; F40-F44 AromaticContact CZ-CE2 3.71Å; F40-F44 HydrophobicContact CZ-CE2 3.71Å; F40-F44 AromaticContact CZ-CZ 3.71Å; F40-F44 HydrophobicContact CZ-CZ 3.71Å; F40-F44 WeakPolarHBondContact O-CD2 3.31Å; F40-F44 WeakPolarHBondContact O-CE2 3.44Å; F40-T67 HydrophobicContact CE2-CG2 3.54Å; F40-T67 HydrophobicContact CZ-CG2 3.65Å; F40-F79 AromaticContact CE1-CD1 3.94Å; F40-F79 HydrophobicContact CE1-CD1 3.94Å; F40-F79 HydrophobicContact CE1-CD2 4.1Å; F40-F79 HydrophobicContact CE1-CE1 4.09Å; F40-F79 HydrophobicContact CE1-CE2 4.25Å; F40-F79 AromaticContact CE1-CG 3.95Å; F40-F79 HydrophobicContact CE1-CG 3.95Å; F40-F79 HydrophobicContact CE1-CZ 4.24Å; F40-F79 HydrophobicContact CZ-CD1 4.27Å; F40-F79 HydrophobicContact CZ-CD2 4.05Å; F40-F79 AromaticContact CZ-CE1 3.99Å; F40-F79 HydrophobicContact CZ-CE1 3.99Å; F40-F79 AromaticContact CZ-CE2 3.76Å; F40-F79 HydrophobicContact CZ-CE2 3.76Å; F40-F79 HydrophobicContact CZ-CG 4.3Å; F40-F79 AromaticContact CZ-CZ 3.73Å; F40-F79 HydrophobicContact CZ-CZ 3.73Å; F40-M460 HydrophobicContact CD2-CE 3.46Å; F40-M460 VanDerWaalsContact CD2-CE 3.46Å; F40-M460 HydrophobicContact CD2-SD 4.49Å; F40-M460 HydrophobicContact CE2-CE 3.76Å; F40-M460 HydrophobicContact CE2-SD 4.36Å; F40-M460 HydrophobicContact CG-CE 4.33Å; F40-H470 HydrophobicContact CD2-CB 3.77Å; F40-H470 HydrophobicContact CE2-CB 3.41Å; F40-H470 VanDerWaalsContact CE2-CB 3.41Å; F40-H470 AromaticContact CE2-CG 3.48Å; F40-H470 VanDerWaalsContact CE2-CG 3.48Å; F40-H470 AromaticContact CE2-ND1 3.7Å; F40-H470 HydrophobicContact CZ-CB 4.21Å; F40-H470 AromaticContact CZ-CG 3.79Å; F40-H470 AromaticContact CZ-ND1 3.56Å; F40-H472 HydrophobicContact CE1-CB 4.33Å
41Y95.6Very high94.2Very high4 Ų421.6 Ų21.62%0.01611%0.109CC..Hα-helixtrans-66.9-39.9179.5-66.2-54.9000113.5E37 S43 F44 Y45 F79 L81 E84 S184 R186E37-Y41 HydrophobicContact CG-CD2 3.91Å; E37-Y41 HydrophobicContact CG-CE2 3.32Å; E37-Y41 VanDerWaalsContact O-CD2 3.3Å; E37-Y41 WeakPolarHBondContact O-CD2 3.41Å; E37-Y41 PolarHBondContact O-N 3.37Å; E37-Y41 WeakPolarHBondContact OE1-CE2 3.35Å; E37-Y41 PolarHBondContact OE1-OH 2.82Å; Y41-S43 PolarHBondContact O-N 3.08Å; Y41-F44 PolarHBondContact O-N 3.17Å; Y41-Y45 PolarHBondContact O-N 3.48Å; Y41-F79 HydrophobicContact CE1-CB 4.35Å; Y41-L81 HydrophobicContact CD1-CD2 4.08Å; Y41-E84 WeakPolarHBondContact O-CG 3.29Å; Y41-S184 VanDerWaalsContact CD2-O 3.25Å; Y41-S184 WeakPolarHBondContact CD2-O 3.45Å; Y41-R186 VanDerWaalsContact CD1-NH2 3.32Å; Y41-R186 HydrophobicContact CE1-CG 4.35Å; Y41-R186 HydrophobicContact CE2-CG 3.71Å; Y41-R186 WeakPolarHBondContact OH-CG 3.36Å
42Y96.5Very high94.2Very high0 Ų027.1 Ų27.10%015%0.146CC..Hα-helixtrans-61.8-31.4179.6-178.1-103.1000112F34 T38 G39 F40 F44 Y45 K46 F130 Y133 L461F34-Y42 HydrophobicContact CD2-CD1 4.36Å; T38-Y42 WeakPolarHBondContact O-CB 3.1Å; T38-Y42 PolarHBondContact O-N 3.4Å; G39-Y42 PolarHBondContact O-N 2.9Å; F40-Y42 PolarHBondContact O-N 2.9Å; Y42-F44 VanDerWaalsContact C-N 3.31Å; Y42-F44 PolarHBondContact O-N 3.41Å; Y42-Y45 AromaticContact CD2-CD1 3.83Å; Y42-Y45 HydrophobicContact CD2-CD1 3.83Å; Y42-Y45 HydrophobicContact CD2-CE1 4.48Å; Y42-Y45 AromaticContact CE2-CD1 3.45Å; Y42-Y45 HydrophobicContact CE2-CD1 3.45Å; Y42-Y45 VanDerWaalsContact CE2-CD1 3.45Å; Y42-Y45 AromaticContact CE2-CE1 3.72Å; Y42-Y45 HydrophobicContact CE2-CE1 3.72Å; Y42-Y45 PolarHBondContact O-N 3.5Å; Y42-K46 HydrophobicContact CE1-CB 4.33Å; Y42-K46 WeakPolarHBondContact O-CB 3.38Å; Y42-K46 PolarHBondContact O-N 2.97Å; Y42-F130 HydrophobicContact CD1-CE1 4.34Å; Y42-F130 AromaticContact CE1-CD1 3.71Å; Y42-F130 HydrophobicContact CE1-CD1 3.71Å; Y42-F130 AromaticContact CE1-CE1 3.29Å; Y42-F130 HydrophobicContact CE1-CE1 3.29Å; Y42-F130 AromaticContact CE1-CZ 3.98Å; Y42-F130 HydrophobicContact CE1-CZ 3.98Å; Y42-F130 HydrophobicContact CE2-CD1 4.21Å; Y42-F130 AromaticContact CZ-CD1 3.4Å; Y42-F130 AromaticContact CZ-CE1 3.46Å; Y42-F130 VanDerWaalsContact CZ-CE1 3.46Å; Y42-F130 WeakPolarHBondContact OH-CD1 3.44Å; Y42-F130 WeakPolarHBondContact OH-CE1 3.41Å; Y42-F130 VanDerWaalsContact OH-CG 3.25Å; Y42-F130 WeakPolarHBondContact OH-CG 3.42Å; Y42-F130 WeakPolarHBondContact OH-CZ 3.41Å; Y42-Y133 AromaticContact CD2-CD1 3.69Å; Y42-Y133 HydrophobicContact CD2-CD1 3.69Å; Y42-Y133 HydrophobicContact CD2-CD2 4.43Å; Y42-Y133 HydrophobicContact CD2-CE1 4.03Å; Y42-Y133 AromaticContact CD2-CG 3.92Å; Y42-Y133 HydrophobicContact CD2-CG 3.92Å; Y42-Y133 HydrophobicContact CE2-CD1 4.12Å; Y42-Y133 HydrophobicContact CE2-CG 4.03Å; Y42-L461 HydrophobicContact CD1-CD1 3.54Å; Y42-L461 HydrophobicContact CD1-CD2 3.92Å; Y42-L461 HydrophobicContact CD1-CG 4.39Å; Y42-L461 HydrophobicContact CE1-CD1 4.03Å
43S95.5Very high94.3Very high2 Ų229 Ų291%0.01416%0.159CC..Hα-helixtrans-59.2-38176.678.40000113.4G39 F40 Y41 K46 N47 M460G39-S43 WeakPolarHBondContact O-CB 3.27Å; G39-S43 PolarHBondContact O-N 3.23Å; F40-S43 WeakPolarHBondContact O-CB 3.28Å; F40-S43 PolarHBondContact O-N 3.43Å; F40-S43 PolarHBondContact O-OG 3.22Å; Y41-S43 PolarHBondContact O-N 3.08Å; S43-K46 PolarHBondContact O-N 3.44Å; S43-N47 WeakPolarHBondContact O-CB 3.43Å; S43-N47 PolarHBondContact O-N 3.17Å; S43-N47 PolarHBondContact O-ND2 3.31Å; S43-M460 WeakPolarHBondContact OG-CE 3.3Å
44F95.7Very high94.3Very high2 Ų231.5 Ų31.51%0.00917%0.17CC..Hα-helixtrans-70.5-41178-60.4-69.5000111.5F40 Y41 Y42 N47 L48 L61 T67 D75 F79 L81F40-F44 AromaticContact CD1-CE2 3.89Å; F40-F44 HydrophobicContact CD1-CE2 3.89Å; F40-F44 AromaticContact CE1-CE2 3.55Å; F40-F44 HydrophobicContact CE1-CE2 3.55Å; F40-F44 HydrophobicContact CE1-CZ 4.03Å; F40-F44 HydrophobicContact CE2-CE2 4.2Å; F40-F44 HydrophobicContact CE2-CZ 4.14Å; F40-F44 HydrophobicContact CG-CE2 4.36Å; F40-F44 AromaticContact CZ-CE2 3.71Å; F40-F44 HydrophobicContact CZ-CE2 3.71Å; F40-F44 AromaticContact CZ-CZ 3.71Å; F40-F44 HydrophobicContact CZ-CZ 3.71Å; F40-F44 WeakPolarHBondContact O-CD2 3.31Å; F40-F44 WeakPolarHBondContact O-CE2 3.44Å; Y41-F44 PolarHBondContact O-N 3.17Å; Y42-F44 VanDerWaalsContact C-N 3.31Å; Y42-F44 PolarHBondContact O-N 3.41Å; F44-N47 PolarHBondContact O-N 3.27Å; F44-L48 WeakPolarHBondContact O-CG 3.37Å; F44-L48 PolarHBondContact O-N 3.25Å; F44-L61 HydrophobicContact CB-CD2 4.22Å; F44-L61 HydrophobicContact CD1-CD2 3.46Å; F44-L61 VanDerWaalsContact CD1-CD2 3.46Å; F44-L61 HydrophobicContact CE1-CD2 4.26Å; F44-L61 HydrophobicContact CG-CD2 4.23Å; F44-T67 HydrophobicContact CZ-CG2 4.09Å; F44-D75 HydrophobicContact CE1-CB 3.99Å; F44-D75 WeakPolarHBondContact CE1-OD2 3.34Å; F44-D75 HydrophobicContact CZ-CB 4.46Å; F44-F79 HydrophobicContact CE2-CD2 4.32Å; F44-F79 AromaticContact CZ-CD2 3.98Å; F44-F79 HydrophobicContact CZ-CD2 3.98Å; F44-F79 HydrophobicContact CZ-CE2 4.23Å; F44-L81 HydrophobicContact CB-CD1 3.91Å; F44-L81 HydrophobicContact CB-CD2 4.36Å; F44-L81 HydrophobicContact CD1-CD1 3.7Å; F44-L81 HydrophobicContact CD2-CD1 3.9Å; F44-L81 HydrophobicContact CD2-CD2 3.55Å; F44-L81 HydrophobicContact CD2-CG 4.4Å; F44-L81 HydrophobicContact CE1-CD1 4.13Å; F44-L81 HydrophobicContact CE2-CD1 4.32Å; F44-L81 HydrophobicContact CE2-CD2 3.98Å; F44-L81 HydrophobicContact CG-CD1 3.56Å; F44-L81 HydrophobicContact CG-CD2 4.02Å; F44-L81 HydrophobicContact CG-CG 4.46Å; F44-L81 HydrophobicContact CZ-CD1 4.42Å
45Y97Very high94.3Very high0 Ų035.8 Ų35.80%020%0.195CC..Hα-helixtrans-59.1-47.8171.8165.1-98.1000111.2Y41 Y42 N47 L48 V49 A87 A88 F91 K129 Y133Y41-Y45 PolarHBondContact O-N 3.48Å; Y42-Y45 AromaticContact CD2-CD1 3.83Å; Y42-Y45 HydrophobicContact CD2-CD1 3.83Å; Y42-Y45 HydrophobicContact CD2-CE1 4.48Å; Y42-Y45 AromaticContact CE2-CD1 3.45Å; Y42-Y45 HydrophobicContact CE2-CD1 3.45Å; Y42-Y45 VanDerWaalsContact CE2-CD1 3.45Å; Y42-Y45 AromaticContact CE2-CE1 3.72Å; Y42-Y45 HydrophobicContact CE2-CE1 3.72Å; Y42-Y45 PolarHBondContact O-N 3.5Å; Y45-N47 VanDerWaalsContact C-N 3.34Å; Y45-N47 PolarHBondContact O-N 2.94Å; Y45-L48 PolarHBondContact O-N 3.26Å; Y45-V49 HydrophobicContact CD2-CG2 4.05Å; Y45-V49 HydrophobicContact CE1-CG2 4.18Å; Y45-V49 HydrophobicContact CE2-CG2 3.61Å; Y45-V49 WeakPolarHBondContact O-CG2 3.38Å; Y45-V49 PolarHBondContact O-N 3.22Å; Y45-A87 HydrophobicContact CD2-CB 3.92Å; Y45-A87 HydrophobicContact CE2-CB 3.94Å; Y45-A88 HydrophobicContact CD2-CB 3.99Å; Y45-A88 HydrophobicContact CE2-CB 4.25Å; Y45-F91 HydrophobicContact CE2-CB 4.45Å; Y45-K129 HydrophobicContact CE1-CB 4.17Å; Y45-K129 WeakPolarHBondContact CE1-O 3.4Å; Y45-K129 PolarHBondContact OH-O 2.95Å; Y45-Y133 AromaticContact CD1-CD2 3.68Å; Y45-Y133 HydrophobicContact CD1-CD2 3.68Å; Y45-Y133 HydrophobicContact CD1-CE2 4.41Å; Y45-Y133 HydrophobicContact CD1-CG 4.03Å; Y45-Y133 AromaticContact CD2-CD2 3.63Å; Y45-Y133 HydrophobicContact CD2-CD2 3.63Å; Y45-Y133 HydrophobicContact CD2-CE2 4.2Å; Y45-Y133 HydrophobicContact CE1-CD2 4.01Å; Y45-Y133 HydrophobicContact CE1-CG 4.1Å; Y45-Y133 AromaticContact CE2-CD2 3.95Å; Y45-Y133 HydrophobicContact CE2-CD2 3.95Å; Y45-Y133 AromaticContact CG-CD2 3.46Å; Y45-Y133 HydrophobicContact CG-CD2 3.46Å; Y45-Y133 VanDerWaalsContact CG-CD2 3.46Å; Y45-Y133 AromaticContact CG-CE2 3.92Å; Y45-Y133 HydrophobicContact CG-CE2 3.92Å; Y45-Y133 HydrophobicContact CG-CG 4.28Å
46K95.9Very high94.6Very high30 Ų3033 Ų3313%0.1319%0.19CC..Hα-helixtrans-56.4-48.3176.3179.4-176.1169.6-176.70110.8E31 Y42 S43 L48 V49 D50 L461E31-K46 VanDerWaalsContact CD-NZ 3.28Å; E31-K46 VanDerWaalsContact OE1-CE 3.25Å; E31-K46 WeakPolarHBondContact OE1-CE 3.48Å; E31-K46 IonicContact OE1-NZ 3.62Å; E31-K46 PolarHBondContact OE1-NZ 2.97Å; E31-K46 IonicContact OE2-NZ 2.96Å; E31-K46 PolarHBondContact OE2-NZ 3.26Å; Y42-K46 HydrophobicContact CE1-CB 4.33Å; Y42-K46 WeakPolarHBondContact O-CB 3.38Å; Y42-K46 PolarHBondContact O-N 2.97Å; S43-K46 PolarHBondContact O-N 3.44Å; K46-L48 PolarHBondContact O-N 3.3Å; K46-V49 PolarHBondContact O-N 2.88Å; K46-D50 WeakPolarHBondContact CG-OD2 3.16Å; K46-D50 VanDerWaalsContact O-CB 3.31Å; K46-D50 WeakPolarHBondContact O-CB 3.28Å; K46-D50 PolarHBondContact O-N 3.33Å; K46-L461 HydrophobicContact CD-CD1 3.77Å; K46-L461 PolarHBondContact NZ-O 2.99Å
47N94.6Very high94.8Very high83 Ų8331.3 Ų31.344%0.44418%0.179SC..Hα-helixtrans-59.2-43178.2-72.1-16.7000112.3S43 F44 Y45 V49 S51S43-N47 WeakPolarHBondContact O-CB 3.43Å; S43-N47 PolarHBondContact O-N 3.17Å; S43-N47 PolarHBondContact O-ND2 3.31Å; F44-N47 PolarHBondContact O-N 3.27Å; Y45-N47 VanDerWaalsContact C-N 3.34Å; Y45-N47 PolarHBondContact O-N 2.94Å; N47-V49 VanDerWaalsContact C-N 3.35Å; N47-V49 PolarHBondContact O-N 3.14Å; N47-S51 VanDerWaalsContact O-CB 3.26Å; N47-S51 WeakPolarHBondContact O-CB 3.22Å; N47-S51 PolarHBondContact O-N 3.14Å; N47-S51 PolarHBondContact O-OG 2.91Å
48L96.6Very high94.9Very high0 Ų031.4 Ų31.40%018%0.181CC..Hα-helixtrans-65.2-37.5177.7-73.1168.8000113F44 Y45 K46 F54 V58 L61 I85 A88 R92F44-L48 WeakPolarHBondContact O-CG 3.37Å; F44-L48 PolarHBondContact O-N 3.25Å; Y45-L48 PolarHBondContact O-N 3.26Å; K46-L48 PolarHBondContact O-N 3.3Å; L48-F54 HydrophobicContact CD2-CE2 4.18Å; L48-V58 HydrophobicContact CD2-CG2 3.94Å; L48-L61 HydrophobicContact CD1-CD1 3.91Å; L48-L61 HydrophobicContact CD2-CD1 3.77Å; L48-L61 HydrophobicContact CD2-CG 4.38Å; L48-L61 HydrophobicContact CG-CD1 3.95Å; L48-I85 HydrophobicContact CD1-CB 4.48Å; L48-I85 HydrophobicContact CD1-CG1 3.78Å; L48-A88 HydrophobicContact CB-CB 3.57Å; L48-A88 HydrophobicContact CD1-CB 3.92Å; L48-A88 HydrophobicContact CG-CB 4.4Å; L48-R92 PolarHBondContact O-NE 3.29Å
49V96.4Very high95Very high7 Ų737.8 Ų37.84%0.04221%0.205CC..Hα-helixtrans-74.8-44.2-179.9166.40000111.6Y45 K46 N47 S51 A88 F91 K129Y45-V49 HydrophobicContact CD2-CG2 4.05Å; Y45-V49 HydrophobicContact CE1-CG2 4.18Å; Y45-V49 HydrophobicContact CE2-CG2 3.61Å; Y45-V49 WeakPolarHBondContact O-CG2 3.38Å; Y45-V49 PolarHBondContact O-N 3.22Å; K46-V49 PolarHBondContact O-N 2.88Å; N47-V49 VanDerWaalsContact C-N 3.35Å; N47-V49 PolarHBondContact O-N 3.14Å; V49-S51 VanDerWaalsContact C-N 3.34Å; V49-A88 HydrophobicContact CG2-CB 3.95Å; V49-F91 HydrophobicContact CB-CD1 4.19Å; V49-F91 HydrophobicContact CG1-CD1 3.39Å; V49-F91 HydrophobicContact CG1-CE1 3.34Å; V49-F91 HydrophobicContact CG2-CB 4.44Å; V49-F91 HydrophobicContact CG2-CD1 3.67Å; V49-F91 HydrophobicContact CG2-CE1 4.44Å; V49-F91 HydrophobicContact CG2-CG 4.45Å; V49-K129 HydrophobicContact CG1-CB 4.36Å
50D94.6Very high94.9Very high83 Ų8339.6 Ų39.644%0.44422%0.223SC..Hα-helixtrans-81.4-13.9-176.1-67.1-18.8000112.2K46 K129K46-D50 WeakPolarHBondContact CG-OD2 3.16Å; K46-D50 VanDerWaalsContact O-CB 3.31Å; K46-D50 WeakPolarHBondContact O-CB 3.28Å; K46-D50 PolarHBondContact O-N 3.33Å; D50-K129 IonicContact OD1-NZ 3.15Å; D50-K129 PolarHBondContact OD1-NZ 3.47Å; D50-K129 IonicContact OD2-NZ 2.85Å; D50-K129 PolarHBondContact OD2-NZ 3.36Å
51S94.5Very high94.8Very high26 Ų2639.9 Ų39.918%0.18222%0.224CC..SBendtrans-62.3144174.8-73.50000112.5N47 V49 S53 G57 R92N47-S51 VanDerWaalsContact O-CB 3.26Å; N47-S51 WeakPolarHBondContact O-CB 3.22Å; N47-S51 PolarHBondContact O-N 3.14Å; N47-S51 PolarHBondContact O-OG 2.91Å; V49-S51 VanDerWaalsContact C-N 3.34Å; S51-S53 WeakPolarHBondContact CB-O 3.35Å; S51-S53 PolarHBondContact O-N 3.45Å; S51-G57 VanDerWaalsContact OG-CA 3.27Å; S51-G57 WeakPolarHBondContact OG-CA 3.29Å; S51-R92 PolarHBondContact O-NH2 3.41Å
52P93.3Very high94.7Very high121 Ų12143.1 Ų43.179%0.78624%0.242SC*.SBendtrans-56.4-50.3-179.6-24.833.3000112.8R92P52-R92 PolarHBondContact O-NH2 2.89Å
53S94.3Very high94.5Very high40 Ų4049.6 Ų49.628%0.2827%0.27SS..SBendtrans-117.5153.2170.384.40000110.4S51 V55 D56 G57S51-S53 WeakPolarHBondContact CB-O 3.35Å; S51-S53 PolarHBondContact O-N 3.45Å; S53-V55 PolarHBondContact O-N 2.87Å; S53-D56 WeakPolarHBondContact CB-OD2 3.47Å; S53-D56 PolarHBondContact O-N 3.23Å; S53-D56 WeakPolarHBondContact OG-CB 3.37Å; S53-D56 PolarHBondContact OG-N 2.96Å; S53-D56 PolarHBondContact OG-OD2 3.46Å; S53-G57 PolarHBondContact O-N 2.97Å; S53-G57 VanDerWaalsContact O-N 3.16Å
54F93.4Very high94.3Very high56 Ų5650.3 Ų50.325%0.24627%0.274CS..Hα-helixtrans-63.4-35175.7-178.6-104.9000111.2L48 G57 V58 I85 A88 V89L48-F54 HydrophobicContact CD2-CE2 4.18Å; F54-G57 PolarHBondContact O-N 2.69Å; F54-V58 HydrophobicContact CD1-CG2 4.11Å; F54-V58 HydrophobicContact CE1-CG2 3.61Å; F54-V58 HydrophobicContact CE2-CG2 4.19Å; F54-V58 HydrophobicContact CZ-CG2 3.63Å; F54-V58 WeakPolarHBondContact O-CG2 3.48Å; F54-V58 PolarHBondContact O-N 2.97Å; F54-I85 HydrophobicContact CZ-CG2 4.12Å; F54-A88 HydrophobicContact CE2-CB 4.41Å; F54-V89 HydrophobicContact CD2-CG2 4.26Å; F54-V89 HydrophobicContact CE1-CG2 3.87Å; F54-V89 HydrophobicContact CE2-CG2 3.53Å; F54-V89 HydrophobicContact CZ-CG2 3.31Å
55V94.1Very high94.1Very high89 Ų8954.5 Ų54.554%0.53930%0.296SS..Hα-helixtrans-65.2-39.6177.8179.90000111.2S53 V58 R59S53-V55 PolarHBondContact O-N 2.87Å; V55-V58 PolarHBondContact O-N 3.09Å; V55-R59 VanDerWaalsContact O-CB 3.32Å; V55-R59 WeakPolarHBondContact O-CB 3.29Å; V55-R59 PolarHBondContact O-N 3.12Å
56D94.3Very high93.8Very high69 Ų6961.6 Ų61.637%0.36932%0.323SS..Hα-helixtrans-66.7-40.1176.3-62.4-39.6000111.4S53 R59 G60S53-D56 WeakPolarHBondContact CB-OD2 3.47Å; S53-D56 PolarHBondContact O-N 3.23Å; S53-D56 WeakPolarHBondContact OG-CB 3.37Å; S53-D56 PolarHBondContact OG-N 2.96Å; S53-D56 PolarHBondContact OG-OD2 3.46Å; D56-R59 PolarHBondContact O-N 3.35Å; D56-R59 IonicContact OD1-NH1 2.94Å; D56-R59 PolarHBondContact OD1-NH1 3.01Å; D56-G60 PolarHBondContact O-N 3.18Å
57G94Very high93.5Very high6 Ų660.4 Ų60.46%0.06232%0.318CS..Hα-helixtrans-59.5-48.217300000112.3S51 S53 F54 G60 L61S51-G57 VanDerWaalsContact OG-CA 3.27Å; S51-G57 WeakPolarHBondContact OG-CA 3.29Å; S53-G57 PolarHBondContact O-N 2.97Å; S53-G57 VanDerWaalsContact O-N 3.16Å; F54-G57 PolarHBondContact O-N 2.69Å; G57-G60 PolarHBondContact O-N 3.16Å; G57-L61 PolarHBondContact O-N 2.86Å
58V95.2Very high93.3Very high32 Ų3256.6 Ų56.619%0.19430%0.297CS..Hα-helixtrans-65.1-39.7177.4173.40000111.7L48 F54 V55 G60 L61 L62L48-V58 HydrophobicContact CD2-CG2 3.94Å; F54-V58 HydrophobicContact CD1-CG2 4.11Å; F54-V58 HydrophobicContact CE1-CG2 3.61Å; F54-V58 HydrophobicContact CE2-CG2 4.19Å; F54-V58 HydrophobicContact CZ-CG2 3.63Å; F54-V58 WeakPolarHBondContact O-CG2 3.48Å; F54-V58 PolarHBondContact O-N 2.97Å; V55-V58 PolarHBondContact O-N 3.09Å; V58-G60 VanDerWaalsContact C-N 3.26Å; V58-G60 PolarHBondContact O-N 3.33Å; V58-L61 PolarHBondContact O-N 2.69Å; V58-L61 VanDerWaalsContact O-N 3.13Å; V58-L62 HydrophobicContact CG1-CD1 4.14Å; V58-L62 HydrophobicContact CG1-CG 4.39Å; V58-L62 WeakPolarHBondContact O-CG 3.44Å; V58-L62 PolarHBondContact O-N 3.41Å; V58-L62 VanDerWaalsContact O-N 3.08Å
59R94Very high93Very high144 Ų14459.4 Ų59.454%0.54331%0.31SS..Hα-helixtrans-60.5-39.7175.3-173.4-177-68.4128-2.6111V55 D56 L61 L62 K63V55-R59 VanDerWaalsContact O-CB 3.32Å; V55-R59 WeakPolarHBondContact O-CB 3.29Å; V55-R59 PolarHBondContact O-N 3.12Å; D56-R59 PolarHBondContact O-N 3.35Å; D56-R59 IonicContact OD1-NH1 2.94Å; D56-R59 PolarHBondContact OD1-NH1 3.01Å; R59-L61 VanDerWaalsContact C-N 3.33Å; R59-L61 PolarHBondContact O-N 3.29Å; R59-L62 PolarHBondContact O-N 2.95Å; R59-K63 PolarHBondContact O-N 3.31Å
60G92.2Very high92.5Very high37 Ų3761.9 Ų61.938%0.38134%0.337SS..Hα-helixtrans-58.7-41.2173.400000112.9D56 G57 V58 K63 D64D56-G60 PolarHBondContact O-N 3.18Å; G57-G60 PolarHBondContact O-N 3.16Å; V58-G60 VanDerWaalsContact C-N 3.26Å; V58-G60 PolarHBondContact O-N 3.33Å; G60-K63 CarbonylContact O-C 3.55Å; G60-D64 WeakPolarHBondContact O-CB 3.45Å; G60-D64 PolarHBondContact O-N 3.44Å
61L93.5Very high92.1Very high6 Ų662.4 Ų62.43%0.03134%0.336CS..Hα-helixtrans-71-28.3176.8-61.4-177000114.1F44 L48 G57 V58 R59 D75 L81 I85F44-L61 HydrophobicContact CB-CD2 4.22Å; F44-L61 HydrophobicContact CD1-CD2 3.46Å; F44-L61 VanDerWaalsContact CD1-CD2 3.46Å; F44-L61 HydrophobicContact CE1-CD2 4.26Å; F44-L61 HydrophobicContact CG-CD2 4.23Å; L48-L61 HydrophobicContact CD1-CD1 3.91Å; L48-L61 HydrophobicContact CD2-CD1 3.77Å; L48-L61 HydrophobicContact CD2-CG 4.38Å; L48-L61 HydrophobicContact CG-CD1 3.95Å; G57-L61 PolarHBondContact O-N 2.86Å; V58-L61 PolarHBondContact O-N 2.69Å; V58-L61 VanDerWaalsContact O-N 3.13Å; R59-L61 VanDerWaalsContact C-N 3.33Å; R59-L61 PolarHBondContact O-N 3.29Å; L61-D75 HydrophobicContact CB-CB 4.47Å; L61-D75 HydrophobicContact CD2-CB 4.45Å; L61-D75 WeakPolarHBondContact O-CB 3.3Å; L61-D75 PolarHBondContact O-N 3.47Å; L61-L81 HydrophobicContact CD1-CD1 4.09Å; L61-L81 HydrophobicContact CD2-CD1 3.99Å; L61-I85 HydrophobicContact CD1-CG1 4.43Å
62L94Very high91.8Very high72 Ų7267.5 Ų67.538%0.37736%0.357SS..Hα-helixtrans-78.9-24.6-178.2-69.7174000112.6V58 R59 N74 L76V58-L62 HydrophobicContact CG1-CD1 4.14Å; V58-L62 HydrophobicContact CG1-CG 4.39Å; V58-L62 WeakPolarHBondContact O-CG 3.44Å; V58-L62 PolarHBondContact O-N 3.41Å; V58-L62 VanDerWaalsContact O-N 3.08Å; R59-L62 PolarHBondContact O-N 2.95Å; L62-N74 WeakPolarHBondContact CD2-ND2 3.26Å; L62-L76 HydrophobicContact CD2-CB 4.45Å; L62-L76 HydrophobicContact CD2-CD2 4.26Å
63K91.9Very high91.6Very high137 Ų13762.9 Ų62.960%0.59633%0.326SS*.SBendtrans-13973.9-179.5-66.2-169.4172.1-161.90109.3R59 G60 E72R59-K63 PolarHBondContact O-N 3.31Å; G60-K63 CarbonylContact O-C 3.55Å; K63-E72 HydrophobicContact CB-CG 4.05Å; K63-E72 WeakPolarHBondContact CD-OE1 3.34Å; K63-E72 HydrophobicContact CG-CG 4.45Å; K63-E72 WeakPolarHBondContact CG-OE1 3.44Å
64D91.4Very high91.5Very high17 Ų1764 Ų649%0.09133%0.329CS..BIsolated β-bridgetrans-101.7135.6178.5-173.939.9000111.4G60 R66 T67 E72 I73 D75G60-D64 WeakPolarHBondContact O-CB 3.45Å; G60-D64 PolarHBondContact O-N 3.44Å; D64-R66 WeakPolarHBondContact OD1-CB 3.48Å; D64-R66 PolarHBondContact OD1-N 2.59Å; D64-R66 PolarHBondContact OD2-N 2.64Å; D64-T67 WeakPolarHBondContact OD2-CA 3.38Å; D64-T67 WeakPolarHBondContact OD2-CB 3.31Å; D64-T67 PolarHBondContact OD2-N 2.94Å; D64-T67 PolarHBondContact OD2-OG1 2.7Å; D64-E72 CarbonylContact O-C 3.59Å; D64-E72 WeakPolarHBondContact O-CA 3.48Å; D64-I73 PolarHBondContact N-O 3.25Å; D64-I73 PolarHBondContact O-N 2.85Å; D64-D75 WeakPolarHBondContact CB-OD2 3.25Å
65N90.6Very high91.5Very high89 Ų8961.4 Ų61.448%0.47632%0.317SS..SBendtrans-119.99.5173.570.5-7.8000112.3F69N65-F69 WeakPolarHBondContact O-CA 3.49Å
66R90.8Very high91.3Very high150 Ų15058.3 Ų58.357%0.56630%0.298SS*.THydrogen-bonded Turntrans-100.3-36.2-175.5-59-178.2177175.3-0.9112.7D64 P466 I467D64-R66 WeakPolarHBondContact OD1-CB 3.48Å; D64-R66 PolarHBondContact OD1-N 2.59Å; D64-R66 PolarHBondContact OD2-N 2.64Å; R66-P466 HydrophobicContact CB-CB 4.4Å; R66-P466 HydrophobicContact CG-CG 4.34Å; R66-P466 CarbonylContact O-C 3.47Å; R66-P466 WeakPolarHBondContact O-CA 3.5Å; R66-I467 PolarHBondContact O-N 2.92Å
67T90.4Very high91Very high4 Ų463.3 Ų63.33%0.02532%0.316CS..THydrogen-bonded Turntrans-72.6-38.9-177.6-58.70000111.9F40 F44 D64 F79 M460 I467 H470F40-T67 HydrophobicContact CE2-CG2 3.54Å; F40-T67 HydrophobicContact CZ-CG2 3.65Å; F44-T67 HydrophobicContact CZ-CG2 4.09Å; D64-T67 WeakPolarHBondContact OD2-CA 3.38Å; D64-T67 WeakPolarHBondContact OD2-CB 3.31Å; D64-T67 PolarHBondContact OD2-N 2.94Å; D64-T67 PolarHBondContact OD2-OG1 2.7Å; T67-F79 HydrophobicContact CG2-CE2 3.96Å; T67-F79 HydrophobicContact CG2-CZ 4.25Å; T67-M460 HydrophobicContact CG2-SD 4.26Å; T67-I467 WeakPolarHBondContact O-CG1 3.47Å; T67-H470 PolarHBondContact O-CD2 3.26Å
68E90.3Very high90.7Very high3 Ų366.7 Ų66.71%0.01433%0.327CS..THydrogen-bonded Turntrans-127.270.8175-73.5-167.6-148.700109.4G70 H71 I73 R78 H470 L478 R481E68-G70 PolarHBondContact O-N 3.18Å; E68-H71 PolarHBondContact O-N 2.73Å; E68-I73 HydrophobicContact CB-CD1 3.91Å; E68-I73 HydrophobicContact CB-CG1 4.46Å; E68-I73 HydrophobicContact CG-CD1 3.69Å; E68-R78 IonicContact OE1-CZ 3.72Å; E68-R78 IonicContact OE1-NE 2.67Å; E68-R78 PolarHBondContact OE1-NE 2.84Å; E68-R78 IonicContact OE1-NH2 3.31Å; E68-R78 PolarHBondContact OE1-NH2 3.31Å; E68-R78 IonicContact OE2-NH2 3.25Å; E68-H470 WeakPolarHBondContact CG-NE2 3.36Å; E68-H470 IonicContact OE1-NE2 2.85Å; E68-H470 PolarHBondContact OE1-NE2 2.87Å; E68-L478 HydrophobicContact CG-CD1 4.48Å; E68-R481 VanDerWaalsContact C-NH1 3.28Å; E68-R481 PolarHBondContact O-NH1 3.27Å
69F89.3Confident90.5Very high59 Ų5965.3 Ų65.326%0.25932%0.318SS..THydrogen-bonded Turntrans-46.1134.1-172-178.8-96.4000113.9N65 V448 P466 I467 R481N65-F69 WeakPolarHBondContact O-CA 3.49Å; F69-V448 HydrophobicContact CB-CG1 3.77Å; F69-V448 HydrophobicContact CD1-CB 4.38Å; F69-V448 HydrophobicContact CD1-CG1 3.71Å; F69-V448 HydrophobicContact CD1-CG2 3.87Å; F69-V448 HydrophobicContact CD2-CG1 4.19Å; F69-V448 HydrophobicContact CD2-CG2 3.49Å; F69-V448 VanDerWaalsContact CD2-CG2 3.49Å; F69-V448 HydrophobicContact CE1-CG1 4.37Å; F69-V448 HydrophobicContact CE1-CG2 3.81Å; F69-V448 HydrophobicContact CE2-CG2 3.42Å; F69-V448 VanDerWaalsContact CE2-CG2 3.42Å; F69-V448 HydrophobicContact CG-CB 4.32Å; F69-V448 HydrophobicContact CG-CG1 3.59Å; F69-V448 HydrophobicContact CG-CG2 3.72Å; F69-V448 HydrophobicContact CZ-CG2 3.58Å; F69-P466 HydrophobicContact CD2-CB 4.14Å; F69-I467 WeakPolarHBondContact CB-O 3.49Å; F69-I467 PolarHBondContact N-O 3.45Å; F69-R481 PolarHBondContact O-NH1 3.3Å; F69-R481 PolarHBondContact O-NH2 3.45Å
70G86.8Confident90.3Very high60 Ų6062.8 Ų62.862%0.61932%0.316SS*.THydrogen-bonded Turntrans91.3-11.9-176.400000114.7E68E68-G70 PolarHBondContact O-N 3.18Å
71H85.6Confident90.4Very high93 Ų9361 Ų6143%0.43130%0.298SS..SBendtrans-122.2130.7171.5-55.9140.1000110.1E68 I73E68-H71 PolarHBondContact O-N 2.73Å; H71-I73 HydrophobicContact CB-CG2 4.09Å; H71-I73 PolarHBondContact O-N 3.31Å
72E88.3Confident90.4Very high133 Ų13367 Ų6762%0.62132%0.321SS*.  trans-81.3113.1167.1-174.6175.4111.300108K63 D64K63-E72 HydrophobicContact CB-CG 4.05Å; K63-E72 WeakPolarHBondContact CD-OE1 3.34Å; K63-E72 HydrophobicContact CG-CG 4.45Å; K63-E72 WeakPolarHBondContact CG-OE1 3.44Å; D64-E72 CarbonylContact O-C 3.59Å; D64-E72 WeakPolarHBondContact O-CA 3.48Å
73I89.6Confident90.5Very high25 Ų2565 Ų6513%0.12831%0.312CS..BIsolated β-bridgetrans-118.4155-179.161.3164.2000111.4D64 E68 H71 D75 F79D64-I73 PolarHBondContact N-O 3.25Å; D64-I73 PolarHBondContact O-N 2.85Å; E68-I73 HydrophobicContact CB-CD1 3.91Å; E68-I73 HydrophobicContact CB-CG1 4.46Å; E68-I73 HydrophobicContact CG-CD1 3.69Å; H71-I73 HydrophobicContact CB-CG2 4.09Å; H71-I73 PolarHBondContact O-N 3.31Å; I73-D75 WeakPolarHBondContact CD1-OD1 3.3Å; I73-D75 WeakPolarHBondContact CG1-OD1 3.17Å; I73-F79 HydrophobicContact CD1-CE2 3.99Å; I73-F79 HydrophobicContact CD1-CZ 4.19Å
74N92.4Very high90.7Very high62 Ų6258.5 Ų58.533%0.33228%0.284SS..  trans-95.194170.5-178.9-35000108.4L62 L76 K77 R78L62-N74 WeakPolarHBondContact CD2-ND2 3.26Å; N74-L76 PolarHBondContact O-N 2.91Å; N74-L76 WeakPolarHBondContact OD1-CB 3.36Å; N74-L76 PolarHBondContact OD1-N 3.32Å; N74-K77 HydrophobicContact CB-CB 4.43Å; N74-K77 PolarHBondContact O-N 2.84Å; N74-K77 PolarHBondContact OD1-N 2.96Å; N74-R78 WeakPolarHBondContact O-CB 3.46Å; N74-R78 PolarHBondContact O-N 3.01Å
75D91.9Very high91Very high2 Ų259 Ų591%0.01129%0.287CS..Hα-helixtrans-58.7-37.5-177.5-66.5-28.4000112.1F44 L61 D64 I73 K77 R78 F79 L81F44-D75 HydrophobicContact CE1-CB 3.99Å; F44-D75 WeakPolarHBondContact CE1-OD2 3.34Å; F44-D75 HydrophobicContact CZ-CB 4.46Å; L61-D75 HydrophobicContact CB-CB 4.47Å; L61-D75 HydrophobicContact CD2-CB 4.45Å; L61-D75 WeakPolarHBondContact O-CB 3.3Å; L61-D75 PolarHBondContact O-N 3.47Å; D64-D75 WeakPolarHBondContact CB-OD2 3.25Å; I73-D75 WeakPolarHBondContact CD1-OD1 3.3Å; I73-D75 WeakPolarHBondContact CG1-OD1 3.17Å; D75-K77 PolarHBondContact O-N 3.34Å; D75-R78 PolarHBondContact O-N 2.91Å; D75-F79 HydrophobicContact CB-CD2 4Å; D75-F79 HydrophobicContact CB-CE2 4.33Å; D75-F79 PolarHBondContact O-N 2.94Å; D75-F79 WeakPolarHBondContact OD1-CE2 3.32Å; D75-L81 HydrophobicContact CB-CD1 3.71Å
76L90.7Very high91.2Very high24 Ų2458.8 Ų58.813%0.12629%0.288CS..Hα-helixtrans-58.1-51.1179.8174.459.4000111.2L62 N74 N80 L81 Y82 I85L62-L76 HydrophobicContact CD2-CB 4.45Å; L62-L76 HydrophobicContact CD2-CD2 4.26Å; N74-L76 PolarHBondContact O-N 2.91Å; N74-L76 WeakPolarHBondContact OD1-CB 3.36Å; N74-L76 PolarHBondContact OD1-N 3.32Å; L76-N80 VanDerWaalsContact O-CA 3.31Å; L76-N80 WeakPolarHBondContact O-CA 3.44Å; L76-N80 PolarHBondContact O-N 3.42Å; L76-N80 VanDerWaalsContact O-N 3.12Å; L76-L81 HydrophobicContact CD1-CB 3.95Å; L76-L81 PolarHBondContact O-N 3.33Å; L76-Y82 HydrophobicContact CD1-CD1 3.96Å; L76-Y82 HydrophobicContact CD1-CE1 3.94Å; L76-Y82 HydrophobicContact CD1-CG 4.34Å; L76-Y82 HydrophobicContact CD2-CE1 4.34Å; L76-Y82 HydrophobicContact CG-CE1 4.34Å; L76-I85 HydrophobicContact CD1-CD1 3.46Å; L76-I85 VanDerWaalsContact CD1-CD1 3.46Å; L76-I85 HydrophobicContact CD2-CD1 4.01Å; L76-I85 HydrophobicContact CG-CD1 4.31Å
77K87.7Confident91.5Very high175 Ų17551.7 Ų51.776%0.76126%0.262SS*.Hα-helixtrans-70.6-40.8178.3-175.6-177.5176.9-173.50111.1N74 D75N74-K77 HydrophobicContact CB-CB 4.43Å; N74-K77 PolarHBondContact O-N 2.84Å; N74-K77 PolarHBondContact OD1-N 2.96Å; D75-K77 PolarHBondContact O-N 3.34Å
78R87.5Confident91.9Very high76 Ų7651.5 Ų51.529%0.28726%0.26SS..Hα-helixtrans-66.1-44-174.1-179.861.9158.6-164.5-16.4112.9E68 N74 D75 D475E68-R78 IonicContact OE1-CZ 3.72Å; E68-R78 IonicContact OE1-NE 2.67Å; E68-R78 PolarHBondContact OE1-NE 2.84Å; E68-R78 IonicContact OE1-NH2 3.31Å; E68-R78 PolarHBondContact OE1-NH2 3.31Å; E68-R78 IonicContact OE2-NH2 3.25Å; N74-R78 WeakPolarHBondContact O-CB 3.46Å; N74-R78 PolarHBondContact O-N 3.01Å; D75-R78 PolarHBondContact O-N 2.91Å; R78-D475 VanDerWaalsContact CZ-CB 3.41Å; R78-D475 IonicContact CZ-OD1 3.24Å; R78-D475 IonicContact CZ-OD2 3Å; R78-D475 VanDerWaalsContact CZ-OD2 3.31Å; R78-D475 IonicContact NH1-OD1 2.85Å; R78-D475 IonicContact NH1-OD2 3.49Å; R78-D475 PolarHBondContact NH1-OD2 3.39Å; R78-D475 IonicContact NH2-OD1 2.65Å; R78-D475 PolarHBondContact NH2-OD1 3.08Å; R78-D475 IonicContact NH2-OD2 3.84Å; R78-D475 PolarHBondContact NH2-OD2 2.92Å
79F90.6Very high92.2Very high3 Ų354.1 Ų54.11%0.01328%0.276CS..Hα-helixtrans-114.38.9-172.4-53.6-58.3000113.8F40 Y41 F44 T67 I73 D75 L81 R186 H470 H472F40-F79 AromaticContact CE1-CD1 3.94Å; F40-F79 HydrophobicContact CE1-CD1 3.94Å; F40-F79 HydrophobicContact CE1-CD2 4.1Å; F40-F79 HydrophobicContact CE1-CE1 4.09Å; F40-F79 HydrophobicContact CE1-CE2 4.25Å; F40-F79 AromaticContact CE1-CG 3.95Å; F40-F79 HydrophobicContact CE1-CG 3.95Å; F40-F79 HydrophobicContact CE1-CZ 4.24Å; F40-F79 HydrophobicContact CZ-CD1 4.27Å; F40-F79 HydrophobicContact CZ-CD2 4.05Å; F40-F79 AromaticContact CZ-CE1 3.99Å; F40-F79 HydrophobicContact CZ-CE1 3.99Å; F40-F79 AromaticContact CZ-CE2 3.76Å; F40-F79 HydrophobicContact CZ-CE2 3.76Å; F40-F79 HydrophobicContact CZ-CG 4.3Å; F40-F79 AromaticContact CZ-CZ 3.73Å; F40-F79 HydrophobicContact CZ-CZ 3.73Å; Y41-F79 HydrophobicContact CE1-CB 4.35Å; F44-F79 HydrophobicContact CE2-CD2 4.32Å; F44-F79 AromaticContact CZ-CD2 3.98Å; F44-F79 HydrophobicContact CZ-CD2 3.98Å; F44-F79 HydrophobicContact CZ-CE2 4.23Å; T67-F79 HydrophobicContact CG2-CE2 3.96Å; T67-F79 HydrophobicContact CG2-CZ 4.25Å; I73-F79 HydrophobicContact CD1-CE2 3.99Å; I73-F79 HydrophobicContact CD1-CZ 4.19Å; D75-F79 HydrophobicContact CB-CD2 4Å; D75-F79 HydrophobicContact CB-CE2 4.33Å; D75-F79 PolarHBondContact O-N 2.94Å; D75-F79 WeakPolarHBondContact OD1-CE2 3.32Å; F79-L81 HydrophobicContact CB-CD2 3.69Å; F79-L81 HydrophobicContact CB-CG 4.05Å; F79-L81 PolarHBondContact O-N 2.87Å; F79-R186 PolarHBondContact O-NE 2.89Å; F79-R186 PolarHBondContact O-NH2 3.41Å; F79-H470 AromaticContact CE1-CE1 3.46Å; F79-H470 VanDerWaalsContact CE1-CE1 3.46Å; F79-H470 WeakPolarHBondContact CE1-CE1 3.27Å; F79-H470 AromaticContact CZ-CE1 3.46Å; F79-H470 VanDerWaalsContact CZ-CE1 3.46Å; F79-H470 WeakPolarHBondContact CZ-CE1 3.41Å; F79-H470 AromaticContact CZ-NE2 3.68Å; F79-H472 HydrophobicContact CD1-CB 4.17Å; F79-H472 AromaticContact CD1-CD2 3.79Å; F79-H472 AromaticContact CD1-CG 3.68Å; F79-H472 AromaticContact CD1-ND1 3.85Å; F79-H472 HydrophobicContact CE1-CB 3.94Å; F79-H472 AromaticContact CE1-CG 3.78Å; F79-H472 AromaticContact CE1-ND1 3.81Å
80N91.3Very high92.6Very high91 Ų9155.5 Ų55.549%0.48729%0.286SS..THydrogen-bonded Turntrans53.650.5179.1-165.134.1000112.7L76 Y82 P83 R186L76-N80 VanDerWaalsContact O-CA 3.31Å; L76-N80 WeakPolarHBondContact O-CA 3.44Å; L76-N80 PolarHBondContact O-N 3.42Å; L76-N80 VanDerWaalsContact O-N 3.12Å; N80-Y82 PolarHBondContact O-N 3.26Å; N80-Y82 WeakPolarHBondContact OD1-CD2 3.49Å; N80-Y82 VanDerWaalsContact OD1-CE2 3.25Å; N80-Y82 WeakPolarHBondContact OD1-CE2 3.47Å; N80-P83 WeakPolarHBondContact O-CD 3.27Å; N80-R186 PolarHBondContact O-NH2 2.9Å
81L94.2Very high93.1Very high0 Ų052.9 Ų52.90%026%0.257CS..  trans-73.616.1-170.9-56.8-179000115.5Y41 F44 L61 D75 L76 F79 P83 E84 I85 R186Y41-L81 HydrophobicContact CD1-CD2 4.08Å; F44-L81 HydrophobicContact CB-CD1 3.91Å; F44-L81 HydrophobicContact CB-CD2 4.36Å; F44-L81 HydrophobicContact CD1-CD1 3.7Å; F44-L81 HydrophobicContact CD2-CD1 3.9Å; F44-L81 HydrophobicContact CD2-CD2 3.55Å; F44-L81 HydrophobicContact CD2-CG 4.4Å; F44-L81 HydrophobicContact CE1-CD1 4.13Å; F44-L81 HydrophobicContact CE2-CD1 4.32Å; F44-L81 HydrophobicContact CE2-CD2 3.98Å; F44-L81 HydrophobicContact CG-CD1 3.56Å; F44-L81 HydrophobicContact CG-CD2 4.02Å; F44-L81 HydrophobicContact CG-CG 4.46Å; F44-L81 HydrophobicContact CZ-CD1 4.42Å; L61-L81 HydrophobicContact CD1-CD1 4.09Å; L61-L81 HydrophobicContact CD2-CD1 3.99Å; D75-L81 HydrophobicContact CB-CD1 3.71Å; L76-L81 HydrophobicContact CD1-CB 3.95Å; L76-L81 PolarHBondContact O-N 3.33Å; F79-L81 HydrophobicContact CB-CD2 3.69Å; F79-L81 HydrophobicContact CB-CG 4.05Å; F79-L81 PolarHBondContact O-N 2.87Å; L81-P83 VanDerWaalsContact C-CD 3.45Å; L81-E84 PolarHBondContact O-N 2.9Å; L81-I85 PolarHBondContact O-N 2.85Å; L81-R186 VanDerWaalsContact CD2-NH2 3.3Å
82Y94.1Very high93.7Very high131 Ų13152 Ų5251%0.51425%0.25SS..Hα-helixtrans-57.8-39.2178-58.6-72.5000113.7L76 N80 E84 I85 V86L76-Y82 HydrophobicContact CD1-CD1 3.96Å; L76-Y82 HydrophobicContact CD1-CE1 3.94Å; L76-Y82 HydrophobicContact CD1-CG 4.34Å; L76-Y82 HydrophobicContact CD2-CE1 4.34Å; L76-Y82 HydrophobicContact CG-CE1 4.34Å; N80-Y82 PolarHBondContact O-N 3.26Å; N80-Y82 WeakPolarHBondContact OD1-CD2 3.49Å; N80-Y82 VanDerWaalsContact OD1-CE2 3.25Å; N80-Y82 WeakPolarHBondContact OD1-CE2 3.47Å; Y82-E84 PolarHBondContact O-N 2.91Å; Y82-I85 PolarHBondContact O-N 3.01Å; Y82-V86 WeakPolarHBondContact O-CG2 3.4Å; Y82-V86 PolarHBondContact O-N 3.48Å
83P95.3Very high94Very high31 Ų3149.1 Ų49.120%0.20124%0.242CC..Hα-helixtrans-61.3-41.7177.3-24.436.2000113.1N80 L81 V86 A87 F189N80-P83 WeakPolarHBondContact O-CD 3.27Å; L81-P83 VanDerWaalsContact C-CD 3.45Å; P83-V86 PolarHBondContact O-N 3.43Å; P83-A87 WeakPolarHBondContact O-CB 3.42Å; P83-A87 PolarHBondContact O-N 2.71Å; P83-F189 HydrophobicContact CB-CB 4.31Å; P83-F189 HydrophobicContact CB-CD1 3.5Å; P83-F189 VanDerWaalsContact CB-CD1 3.5Å; P83-F189 HydrophobicContact CB-CD2 4.36Å; P83-F189 HydrophobicContact CB-CE1 3.75Å; P83-F189 HydrophobicContact CB-CG 3.82Å; P83-F189 HydrophobicContact CB-CZ 4.28Å; P83-F189 HydrophobicContact CG-CB 4.18Å; P83-F189 HydrophobicContact CG-CD1 4.28Å; P83-F189 HydrophobicContact CG-CG 4.19Å
84E96.6Very high94.4Very high0 Ų050.8 Ų50.80%025%0.247CC..Hα-helixtrans-66.9-40.2177.1-71.263.9-130.700111.4Y41 L81 Y82 A87 A88 Y133 R186Y41-E84 WeakPolarHBondContact O-CG 3.29Å; L81-E84 PolarHBondContact O-N 2.9Å; Y82-E84 PolarHBondContact O-N 2.91Å; E84-A87 PolarHBondContact O-N 2.9Å; E84-A88 VanDerWaalsContact O-CB 3.27Å; E84-A88 WeakPolarHBondContact O-CB 3.34Å; E84-A88 PolarHBondContact O-N 2.89Å; E84-Y133 HydrophobicContact CG-CE2 4.31Å; E84-Y133 PolarHBondContact OE1-OH 3.31Å; E84-Y133 VanDerWaalsContact OE1-OH 3.06Å; E84-R186 VanDerWaalsContact CD-NH1 3.26Å; E84-R186 IonicContact OE1-CZ 3.94Å; E84-R186 IonicContact OE1-NH1 3.02Å; E84-R186 PolarHBondContact OE1-NH1 3.21Å; E84-R186 IonicContact OE2-CZ 3.22Å; E84-R186 VanDerWaalsContact OE2-CZ 3.22Å; E84-R186 IonicContact OE2-NH1 2.73Å; E84-R186 PolarHBondContact OE2-NH1 3.02Å; E84-R186 IonicContact OE2-NH2 2.79Å; E84-R186 PolarHBondContact OE2-NH2 3.31Å
85I96.2Very high94.5Very high29 Ų2952.5 Ų52.515%0.14925%0.249CC..Hα-helixtrans-58.1-50.5173.7-78.9179.6000111.1L48 F54 L61 L76 L81 Y82 A87 A88 V89L48-I85 HydrophobicContact CD1-CB 4.48Å; L48-I85 HydrophobicContact CD1-CG1 3.78Å; F54-I85 HydrophobicContact CZ-CG2 4.12Å; L61-I85 HydrophobicContact CD1-CG1 4.43Å; L76-I85 HydrophobicContact CD1-CD1 3.46Å; L76-I85 VanDerWaalsContact CD1-CD1 3.46Å; L76-I85 HydrophobicContact CD2-CD1 4.01Å; L76-I85 HydrophobicContact CG-CD1 4.31Å; L81-I85 PolarHBondContact O-N 2.85Å; Y82-I85 PolarHBondContact O-N 3.01Å; I85-A87 PolarHBondContact O-N 3.45Å; I85-A88 PolarHBondContact O-N 3.22Å; I85-V89 WeakPolarHBondContact O-CG2 3.46Å; I85-V89 PolarHBondContact O-N 3.34Å
86V96.3Very high94.6Very high84 Ų8456.1 Ų56.151%0.50928%0.275SS..Hα-helixtrans-62.3-45.8-180172.30000110.4Y82 P83 A88 V89 L90Y82-V86 WeakPolarHBondContact O-CG2 3.4Å; Y82-V86 PolarHBondContact O-N 3.48Å; P83-V86 PolarHBondContact O-N 3.43Å; V86-A88 VanDerWaalsContact C-N 3.33Å; V86-A88 PolarHBondContact O-N 2.96Å; V86-V89 PolarHBondContact O-N 2.88Å; V86-L90 HydrophobicContact CG1-CD1 3.98Å; V86-L90 HydrophobicContact CG1-CG 4.41Å; V86-L90 WeakPolarHBondContact O-CB 3.5Å; V86-L90 VanDerWaalsContact O-CG 3.27Å; V86-L90 WeakPolarHBondContact O-CG 3.21Å; V86-L90 PolarHBondContact O-N 3.46Å
87A97.1Very high94.8Very high1 Ų159.3 Ų59.31%0.00829%0.291CS..Hα-helixtrans-60.1-41.8176.900000112.2Y45 P83 E84 I85 L90 F91 Y133Y45-A87 HydrophobicContact CD2-CB 3.92Å; Y45-A87 HydrophobicContact CE2-CB 3.94Å; P83-A87 WeakPolarHBondContact O-CB 3.42Å; P83-A87 PolarHBondContact O-N 2.71Å; E84-A87 PolarHBondContact O-N 2.9Å; I85-A87 PolarHBondContact O-N 3.45Å; A87-L90 PolarHBondContact O-N 3.44Å; A87-F91 WeakPolarHBondContact O-CB 3.27Å; A87-F91 PolarHBondContact O-N 3.37Å; A87-Y133 HydrophobicContact CB-CD2 4.11Å; A87-Y133 HydrophobicContact CB-CE2 4.4Å
88A97.6Very high95.2Very high0 Ų051.7 Ų51.70%026%0.259CS..Hα-helixtrans-67.6-40.8179.200000112.6Y45 L48 V49 F54 E84 I85 V86 F91 R92Y45-A88 HydrophobicContact CD2-CB 3.99Å; Y45-A88 HydrophobicContact CE2-CB 4.25Å; L48-A88 HydrophobicContact CB-CB 3.57Å; L48-A88 HydrophobicContact CD1-CB 3.92Å; L48-A88 HydrophobicContact CG-CB 4.4Å; V49-A88 HydrophobicContact CG2-CB 3.95Å; F54-A88 HydrophobicContact CE2-CB 4.41Å; E84-A88 VanDerWaalsContact O-CB 3.27Å; E84-A88 WeakPolarHBondContact O-CB 3.34Å; E84-A88 PolarHBondContact O-N 2.89Å; I85-A88 PolarHBondContact O-N 3.22Å; V86-A88 VanDerWaalsContact C-N 3.33Å; V86-A88 PolarHBondContact O-N 2.96Å; A88-F91 PolarHBondContact O-N 3.28Å; A88-R92 WeakPolarHBondContact O-CB 3.28Å; A88-R92 WeakPolarHBondContact O-CG 3.36Å; A88-R92 PolarHBondContact O-N 3.44Å
89V97.3Very high95.5Very high58 Ų5855.2 Ų55.235%0.35227%0.273SS..Hα-helixtrans-60.6-50.5173.4171.70000110F54 I85 V86 F91 R92 T93F54-V89 HydrophobicContact CD2-CG2 4.26Å; F54-V89 HydrophobicContact CE1-CG2 3.87Å; F54-V89 HydrophobicContact CE2-CG2 3.53Å; F54-V89 HydrophobicContact CZ-CG2 3.31Å; I85-V89 WeakPolarHBondContact O-CG2 3.46Å; I85-V89 PolarHBondContact O-N 3.34Å; V86-V89 PolarHBondContact O-N 2.88Å; V89-F91 VanDerWaalsContact C-N 3.29Å; V89-F91 PolarHBondContact O-N 2.98Å; V89-R92 PolarHBondContact O-N 3.4Å; V89-T93 WeakPolarHBondContact O-CB 3.25Å; V89-T93 PolarHBondContact O-N 3.42Å; V89-T93 PolarHBondContact O-OG1 3.03Å; V89-T93 VanDerWaalsContact O-OG1 3.08Å
90L97.6Very high95.8Very high88 Ų8863.6 Ų63.646%0.46131%0.305SS..Hα-helixtrans-57.5-42.3178.6-70.4173.9000111.7V86 A87 Y94 F132V86-L90 HydrophobicContact CG1-CD1 3.98Å; V86-L90 HydrophobicContact CG1-CG 4.41Å; V86-L90 WeakPolarHBondContact O-CB 3.5Å; V86-L90 VanDerWaalsContact O-CG 3.27Å; V86-L90 WeakPolarHBondContact O-CG 3.21Å; V86-L90 PolarHBondContact O-N 3.46Å; A87-L90 PolarHBondContact O-N 3.44Å; L90-Y94 WeakPolarHBondContact O-CB 3.4Å; L90-Y94 PolarHBondContact O-N 2.87Å; L90-F132 HydrophobicContact CB-CE1 3.92Å; L90-F132 HydrophobicContact CB-CZ 3.92Å
91F97.8Very high96Very high4 Ų466.3 Ų66.32%0.01831%0.313CS..Hα-helixtrans-67.7-46.2178.8-176.6-114.7000112.7Y45 V49 A87 A88 V89 T93 Y94 R95 G127 K129 F132Y45-F91 HydrophobicContact CE2-CB 4.45Å; V49-F91 HydrophobicContact CB-CD1 4.19Å; V49-F91 HydrophobicContact CG1-CD1 3.39Å; V49-F91 HydrophobicContact CG1-CE1 3.34Å; V49-F91 HydrophobicContact CG2-CB 4.44Å; V49-F91 HydrophobicContact CG2-CD1 3.67Å; V49-F91 HydrophobicContact CG2-CE1 4.44Å; V49-F91 HydrophobicContact CG2-CG 4.45Å; A87-F91 WeakPolarHBondContact O-CB 3.27Å; A87-F91 PolarHBondContact O-N 3.37Å; A88-F91 PolarHBondContact O-N 3.28Å; V89-F91 VanDerWaalsContact C-N 3.29Å; V89-F91 PolarHBondContact O-N 2.98Å; F91-T93 VanDerWaalsContact C-N 3.32Å; F91-T93 PolarHBondContact O-N 2.97Å; F91-Y94 PolarHBondContact O-N 3.17Å; F91-R95 VanDerWaalsContact O-CB 3.32Å; F91-R95 WeakPolarHBondContact O-CB 3.39Å; F91-R95 PolarHBondContact O-N 3Å; F91-G127 WeakPolarHBondContact CE2-O 3.2Å; F91-G127 VanDerWaalsContact CZ-O 3.23Å; F91-G127 WeakPolarHBondContact CZ-O 3.26Å; F91-K129 HydrophobicContact CE1-CB 3.94Å; F91-K129 HydrophobicContact CZ-CB 3.94Å; F91-F132 HydrophobicContact CB-CD1 3.59Å; F91-F132 HydrophobicContact CB-CE1 3.6Å; F91-F132 HydrophobicContact CB-CG 4.17Å; F91-F132 HydrophobicContact CB-CZ 4.18Å; F91-F132 HydrophobicContact CD2-CB 3.55Å; F91-F132 AromaticContact CD2-CD1 3.69Å; F91-F132 HydrophobicContact CD2-CD1 3.69Å; F91-F132 AromaticContact CD2-CD2 3.63Å; F91-F132 HydrophobicContact CD2-CD2 3.63Å; F91-F132 HydrophobicContact CD2-CE1 4.26Å; F91-F132 HydrophobicContact CD2-CE2 4.19Å; F91-F132 AromaticContact CD2-CG 3.33Å; F91-F132 HydrophobicContact CD2-CG 3.33Å; F91-F132 HydrophobicContact CD2-CZ 4.48Å; F91-F132 HydrophobicContact CE2-CB 3.87Å; F91-F132 HydrophobicContact CE2-CD2 4.32Å; F91-F132 HydrophobicContact CE2-CG 4.1Å; F91-F132 HydrophobicContact CG-CB 4.46Å; F91-F132 HydrophobicContact CG-CD1 4.02Å; F91-F132 HydrophobicContact CG-CE1 4.42Å; F91-F132 HydrophobicContact CG-CG 4.14Å
92R96.7Very high95.9Very high74 Ų7473.3 Ų73.328%0.27935%0.351SS..Hα-helixtrans-62.1-41178.1-74178.8122.6-109.3-1.6111.2L48 S51 P52 A88 V89 S96L48-R92 PolarHBondContact O-NE 3.29Å; S51-R92 PolarHBondContact O-NH2 3.41Å; P52-R92 PolarHBondContact O-NH2 2.89Å; A88-R92 WeakPolarHBondContact O-CB 3.28Å; A88-R92 WeakPolarHBondContact O-CG 3.36Å; A88-R92 PolarHBondContact O-N 3.44Å; V89-R92 PolarHBondContact O-N 3.4Å; R92-S96 WeakPolarHBondContact O-CB 3.34Å; R92-S96 PolarHBondContact O-N 2.79Å
93T96Very high95.9Very high73 Ų7374.8 Ų74.845%0.44836%0.356SS..Hα-helixtrans-65-47.5174.4-600000111.5V89 F91 R95 S96 L97V89-T93 WeakPolarHBondContact O-CB 3.25Å; V89-T93 PolarHBondContact O-N 3.42Å; V89-T93 PolarHBondContact O-OG1 3.03Å; V89-T93 VanDerWaalsContact O-OG1 3.08Å; F91-T93 VanDerWaalsContact C-N 3.32Å; F91-T93 PolarHBondContact O-N 2.97Å; T93-R95 PolarHBondContact O-N 3.38Å; T93-S96 PolarHBondContact O-N 3.21Å; T93-L97 HydrophobicContact CG2-CD1 4.01Å; T93-L97 HydrophobicContact CG2-CG 4.44Å; T93-L97 WeakPolarHBondContact O-CG 3.33Å; T93-L97 PolarHBondContact O-N 2.9Å
94Y96.6Very high95.8Very high60 Ų6081.5 Ų81.524%0.23539%0.385CS..Hα-helixtrans-55.7-50.9176.7175.5-102.1000111.4L90 F91 S96 L97 T98 T105 L126 F132L90-Y94 WeakPolarHBondContact O-CB 3.4Å; L90-Y94 PolarHBondContact O-N 2.87Å; F91-Y94 PolarHBondContact O-N 3.17Å; Y94-S96 VanDerWaalsContact C-N 3.3Å; Y94-S96 PolarHBondContact O-N 3.35Å; Y94-L97 PolarHBondContact O-N 3.38Å; Y94-T98 HydrophobicContact CD1-CG2 4.37Å; Y94-T98 HydrophobicContact CD2-CG2 4.06Å; Y94-T98 HydrophobicContact CE1-CG2 4.05Å; Y94-T98 HydrophobicContact CE2-CG2 3.73Å; Y94-T98 HydrophobicContact CG-CG2 4.38Å; Y94-T98 VanDerWaalsContact O-CG2 3.3Å; Y94-T98 WeakPolarHBondContact O-CG2 3.45Å; Y94-T98 PolarHBondContact O-N 2.98Å; Y94-T98 PolarHBondContact O-OG1 2.86Å; Y94-T98 VanDerWaalsContact O-OG1 3.1Å; Y94-T105 HydrophobicContact CE1-CG2 3.88Å; Y94-T105 WeakPolarHBondContact OH-CG2 3.3Å; Y94-L126 HydrophobicContact CE1-CB 3.9Å; Y94-L126 WeakPolarHBondContact CE1-O 3.41Å; Y94-L126 WeakPolarHBondContact OH-CB 3.49Å; Y94-F132 HydrophobicContact CD1-CD2 4.15Å; Y94-F132 AromaticContact CD1-CE2 3.93Å; Y94-F132 HydrophobicContact CD1-CE2 3.93Å; Y94-F132 HydrophobicContact CD2-CE2 4.41Å; Y94-F132 HydrophobicContact CG-CD2 4.48Å; Y94-F132 AromaticContact CG-CE2 3.81Å; Y94-F132 HydrophobicContact CG-CE2 3.81Å
95R94.8Very high95.6Very high99 Ų9982.9 Ų82.937%0.37439%0.394SS..Hα-helixtrans-62.1-36.1178.2-168.4179.4-172.5-170.24.5112.5F91 T93 T98 R99F91-R95 VanDerWaalsContact O-CB 3.32Å; F91-R95 WeakPolarHBondContact O-CB 3.39Å; F91-R95 PolarHBondContact O-N 3Å; T93-R95 PolarHBondContact O-N 3.38Å; R95-T98 PolarHBondContact O-OG1 3.3Å; R95-R99 VanDerWaalsContact NE-CZ 3.3Å; R95-R99 VanDerWaalsContact O-CB 3.29Å; R95-R99 WeakPolarHBondContact O-CB 3.14Å; R95-R99 WeakPolarHBondContact O-CD 3.38Å; R95-R99 WeakPolarHBondContact O-CG 3.48Å; R95-R99 PolarHBondContact O-N 3.49Å
96S94.3Very high95.5Very high78 Ų7885.3 Ų85.355%0.54540%0.404SS..Hα-helixtrans-67.8-42.3176.1-170.10000111.9R92 T93 Y94 Y100R92-S96 WeakPolarHBondContact O-CB 3.34Å; R92-S96 PolarHBondContact O-N 2.79Å; T93-S96 PolarHBondContact O-N 3.21Å; Y94-S96 VanDerWaalsContact C-N 3.3Å; Y94-S96 PolarHBondContact O-N 3.35Å; S96-Y100 WeakPolarHBondContact O-CB 3.44Å; S96-Y100 PolarHBondContact O-N 2.95Å; S96-Y100 VanDerWaalsContact O-N 3.09Å
97L96.2Very high95.4Very high90 Ų9086 Ų8647%0.47141%0.408SS..Hα-helixtrans-69.5-46179.4-70.8172.1000111.4T93 Y94 R99 Y100 F101T93-L97 HydrophobicContact CG2-CD1 4.01Å; T93-L97 HydrophobicContact CG2-CG 4.44Å; T93-L97 WeakPolarHBondContact O-CG 3.33Å; T93-L97 PolarHBondContact O-N 2.9Å; Y94-L97 PolarHBondContact O-N 3.38Å; L97-R99 VanDerWaalsContact C-N 3.3Å; L97-R99 PolarHBondContact O-N 2.71Å; L97-Y100 WeakPolarHBondContact O-CB 3.25Å; L97-Y100 PolarHBondContact O-N 2.91Å; L97-F101 HydrophobicContact CD2-CE2 4.47Å; L97-F101 WeakPolarHBondContact O-CD2 3.4Å; L97-F101 PolarHBondContact O-N 3.25Å
98T96.2Very high95.2Very high15 Ų1589.1 Ų89.19%0.09243%0.43CS..Hα-helixtrans-67.2-33.7-177.957.90000111.9Y94 R95 F101 D102 Y103 T105Y94-T98 HydrophobicContact CD1-CG2 4.37Å; Y94-T98 HydrophobicContact CD2-CG2 4.06Å; Y94-T98 HydrophobicContact CE1-CG2 4.05Å; Y94-T98 HydrophobicContact CE2-CG2 3.73Å; Y94-T98 HydrophobicContact CG-CG2 4.38Å; Y94-T98 VanDerWaalsContact O-CG2 3.3Å; Y94-T98 WeakPolarHBondContact O-CG2 3.45Å; Y94-T98 PolarHBondContact O-N 2.98Å; Y94-T98 PolarHBondContact O-OG1 2.86Å; Y94-T98 VanDerWaalsContact O-OG1 3.1Å; R95-T98 PolarHBondContact O-OG1 3.3Å; T98-F101 CarbonylContact O-C 3.58Å; T98-F101 PolarHBondContact O-N 3.03Å; T98-D102 PolarHBondContact O-N 2.65Å; T98-D102 VanDerWaalsContact O-N 3.08Å; T98-Y103 PolarHBondContact O-N 3.14Å; T98-T105 HydrophobicContact CG2-CG2 3.52Å
99R93.8Very high95Very high151 Ų15193.5 Ų93.557%0.5745%0.446SS*.Hα-helixtrans-66.8-36.5168.9-76172.9172.2178.8-11.8113.5R95 L97 F101 D102R95-R99 VanDerWaalsContact NE-CZ 3.3Å; R95-R99 VanDerWaalsContact O-CB 3.29Å; R95-R99 WeakPolarHBondContact O-CB 3.14Å; R95-R99 WeakPolarHBondContact O-CD 3.38Å; R95-R99 WeakPolarHBondContact O-CG 3.48Å; R95-R99 PolarHBondContact O-N 3.49Å; L97-R99 VanDerWaalsContact C-N 3.3Å; L97-R99 PolarHBondContact O-N 2.71Å; R99-F101 VanDerWaalsContact C-N 3.28Å; R99-D102 PolarHBondContact O-N 3.4Å
100Y95.4Very high94.6Very high178 Ų17895.8 Ų95.870%0.69846%0.46SS*.Hα-helixtrans-67.1-33.2177.2177.6-98000112.1S96 L97S96-Y100 WeakPolarHBondContact O-CB 3.44Å; S96-Y100 PolarHBondContact O-N 2.95Å; S96-Y100 VanDerWaalsContact O-N 3.09Å; L97-Y100 WeakPolarHBondContact O-CB 3.25Å; L97-Y100 PolarHBondContact O-N 2.91Å
101F95.4Very high94Very high148 Ų14891.9 Ų91.965%0.64944%0.44SS*.THydrogen-bonded Turntrans-96.79.4178.3-66.5-68.5000114L97 T98 R99 Y103L97-F101 HydrophobicContact CD2-CE2 4.47Å; L97-F101 WeakPolarHBondContact O-CD2 3.4Å; L97-F101 PolarHBondContact O-N 3.25Å; T98-F101 CarbonylContact O-C 3.58Å; T98-F101 PolarHBondContact O-N 3.03Å; R99-F101 VanDerWaalsContact C-N 3.28Å; F101-Y103 PolarHBondContact O-N 3.49Å; F101-Y103 VanDerWaalsContact O-N 3.11Å
102D93.4Very high93.3Very high148 Ų14898.1 Ų98.179%0.79147%0.467SS*.THydrogen-bonded Turntrans46.339.2-175.8-68.1-41.8000114T98 R99T98-D102 PolarHBondContact O-N 2.65Å; T98-D102 VanDerWaalsContact O-N 3.08Å; R99-D102 PolarHBondContact O-N 3.4Å
103Y93.8Very high92.5Very high162 Ų16296.9 Ų96.964%0.63546%0.463SS*.  trans-91.2119.8-179.9-170.8-103.1000110.6T98 F101 T105T98-Y103 PolarHBondContact O-N 3.14Å; F101-Y103 PolarHBondContact O-N 3.49Å; F101-Y103 VanDerWaalsContact O-N 3.11Å; Y103-T105 HydrophobicContact CD1-CG2 3.66Å; Y103-T105 HydrophobicContact CE1-CG2 4.2Å; Y103-T105 PolarHBondContact O-N 3.33Å
104E92.7Very high91.6Very high172 Ų17294.7 Ų94.780%0.80445%0.454SS*.  trans-67.4127174.3-67.8-173.2171.100110.6
105T93.7Very high90.4Very high29 Ų29100.1 Ų100.118%0.17848%0.482CS..  trans-123.6-4.6-172.650.80000114.5Y94 T98 Y103 G125 L126 G127Y94-T105 HydrophobicContact CE1-CG2 3.88Å; Y94-T105 WeakPolarHBondContact OH-CG2 3.3Å; T98-T105 HydrophobicContact CG2-CG2 3.52Å; Y103-T105 HydrophobicContact CD1-CG2 3.66Å; Y103-T105 HydrophobicContact CE1-CG2 4.2Å; Y103-T105 PolarHBondContact O-N 3.33Å; T105-G125 CarbonylContact O-C 3.45Å; T105-G125 WeakPolarHBondContact O-CA 3.48Å; T105-L126 PolarHBondContact O-N 2.84Å; T105-L126 VanDerWaalsContact O-N 3.16Å; T105-G127 PolarHBondContact O-N 2.91Å; T105-G127 WeakPolarHBondContact OG1-CA 3.39Å
106E93.7Very high89.4Confident80 Ų80103.8 Ų103.837%0.37451%0.509SS..  trans-144.9145.8174.763-174.6174.800110.5E124 N128E106-E124 CarbonylContact C-O 3.57Å; E106-E124 WeakPolarHBondContact CA-O 3.05Å; E106-E124 WeakPolarHBondContact CB-O 3.44Å; E106-N128 WeakPolarHBondContact OE2-CA 3.5Å; E106-N128 WeakPolarHBondContact OE2-CB 3.29Å; E106-N128 PolarHBondContact OE2-N 3.02Å
107V93.1Very high88.5Confident98 Ų98101.8 Ų101.859%0.59449%0.493SS*.EExtended strand (participates in β ladder)trans-113.6130.5174.8-1780000107.3W109 C123 E124V107-W109 HydrophobicContact CB-CZ3 4.27Å; V107-W109 HydrophobicContact CG1-CE3 4.13Å; V107-W109 HydrophobicContact CG1-CZ3 4.2Å; V107-W109 WeakPolarHBondContact O-CZ3 3.33Å; V107-C123 CarbonylContact O-C 3.57Å; V107-C123 VanDerWaalsContact O-CA 3.31Å; V107-C123 WeakPolarHBondContact O-CA 3.46Å; V107-E124 PolarHBondContact N-O 3.4Å; V107-E124 PolarHBondContact O-N 3.26Å
108C93.9Very high87.7Confident67 Ų67101.7 Ų101.745%0.45350%0.5SS..EExtended strand (participates in β ladder)trans-116.8140.8-177.2-59.50000111.2T121 S122 C123C108-T121 HydrophobicContact CB-CG2 4.35Å; C108-S122 WeakPolarHBondContact CA-O 3.38Å; C108-C123 HydrophobicContact CB-CB 4.09Å; C108-C123 WeakPolarHBondContact CB-SG 3.3Å; C108-C123 WeakPolarHBondContact SG-CB 3.34Å; C108-C123 CovalentContact SG-SG 2.04Å; C108-C123 PolarHBondContact SG-SG 3.26Å
109W92.5Very high87Confident92 Ų92105.2 Ų105.235%0.34852%0.522SS..EExtended strand (participates in β ladder)trans-142167.8172.157.191.1000110.1V107 T111 S122 E124V107-W109 HydrophobicContact CB-CZ3 4.27Å; V107-W109 HydrophobicContact CG1-CE3 4.13Å; V107-W109 HydrophobicContact CG1-CZ3 4.2Å; V107-W109 WeakPolarHBondContact O-CZ3 3.33Å; W109-T111 VanDerWaalsContact CD1-CG2 3.45Å; W109-T111 VanDerWaalsContact NE1-CG2 3.34Å; W109-S122 PolarHBondContact N-O 3.26Å; W109-S122 PolarHBondContact O-N 3.48Å; W109-E124 HydrophobicContact CH2-CB 3.57Å; W109-E124 HydrophobicContact CZ3-CB 3.99Å
110T88.9Confident86.6Confident105 Ų10599.4 Ų99.464%0.64450%0.503SS*.EExtended strand (participates in β ladder)trans-95.7131.3173.948.20000109.7T120T110-T120 WeakPolarHBondContact CA-O 3.42Å
111T85.8Confident86.3Confident7 Ų795 Ų954%0.04350%0.495CS..EExtended strand (participates in β ladder)trans-107.8139.4178.556.30000110.8H24 W109 T119 T120 S122H24-T111 PolarHBondContact O-OG1 3.27Å; W109-T111 VanDerWaalsContact CD1-CG2 3.45Å; W109-T111 VanDerWaalsContact NE1-CG2 3.34Å; T111-T119 WeakPolarHBondContact O-CA 3.33Å; T111-T119 WeakPolarHBondContact O-CB 3.27Å; T111-T120 PolarHBondContact N-O 3.42Å; T111-T120 PolarHBondContact O-N 2.9Å; T111-T120 WeakPolarHBondContact OG1-CG2 3.45Å; T111-T120 PolarHBondContact OG1-O 3.3Å; T111-S122 PolarHBondContact OG1-OG 2.83Å
112F83.1Confident86.1Confident134 Ų13488 Ų8859%0.58846%0.464SS*.  trans-92.5124175.2-179.6-101.4000109.3G114 T119F112-G114 VanDerWaalsContact CE1-CA 3.43Å; F112-G114 VanDerWaalsContact CZ-O 3.3Å; F112-G114 WeakPolarHBondContact CZ-O 3.47Å; F112-T119 HydrophobicContact CD2-CG2 4.22Å
113R78.6Confident86.1Confident49 Ų4982 Ų8219%0.18543%0.434CS..  trans-101.78.2-171.6-63.2-168.3-68.7165.43.7114.6E29 V117 S118 T120 E433E29-R113 WeakPolarHBondContact OE1-CD 2.99Å; E29-R113 IonicContact OE1-CZ 3.42Å; E29-R113 IonicContact OE1-NE 2.76Å; E29-R113 IonicContact OE1-NH1 3.8Å; E29-R113 PolarHBondContact OE1-NH1 2.97Å; E29-R113 IonicContact OE2-NH1 3.72Å; R113-V117 HydrophobicContact CB-CB 4.03Å; R113-V117 HydrophobicContact CB-CG1 3.71Å; R113-V117 VanDerWaalsContact CZ-CG1 3.49Å; R113-S118 VanDerWaalsContact CZ-O 3.26Å; R113-S118 PolarHBondContact NE-O 3.49Å; R113-S118 PolarHBondContact NH2-O 3.03Å; R113-S118 PolarHBondContact NH2-OG 3.3Å; R113-T120 HydrophobicContact CG-CG2 4.18Å; R113-E433 IonicContact CZ-OE1 3.81Å; R113-E433 IonicContact NH1-OE1 2.9Å; R113-E433 PolarHBondContact NH1-OE1 3.5Å; R113-E433 IonicContact NH1-OE2 3.31Å; R113-E433 PolarHBondContact NH1-OE2 3.24Å; R113-E433 IonicContact NH2-OE1 3.9Å
114G77.4Confident86Confident26 Ų2678.4 Ų78.427%0.26842%0.423SS..SBendtrans109.1174.2-175.800000113.4F112 V117F112-G114 VanDerWaalsContact CE1-CA 3.43Å; F112-G114 VanDerWaalsContact CZ-O 3.3Å; F112-G114 WeakPolarHBondContact CZ-O 3.47Å; G114-V117 PolarHBondContact O-N 2.96Å
115E72.5Confident86.1Confident175 Ų17571.2 Ų71.282%0.81840%0.395SS*.THydrogen-bonded Turntrans-65.7134.2-179.6-65.2-178.1172.600110.8V117E115-V117 VanDerWaalsContact C-N 3.25Å; E115-V117 PolarHBondContact O-N 3.25Å
116N72.9Confident86.1Confident175 Ų17573.1 Ų73.194%0.93640%0.404SS*.THydrogen-bonded Turntrans67.87.4-178.1-55.6-30.7000117
117V75.2Confident86.2Confident37 Ų3769.7 Ų69.722%0.22439%0.39CS..SBendtrans-106.8127.4171.9-173.40000108.7R113 G114 E115R113-V117 HydrophobicContact CB-CB 4.03Å; R113-V117 HydrophobicContact CB-CG1 3.71Å; R113-V117 VanDerWaalsContact CZ-CG1 3.49Å; G114-V117 PolarHBondContact O-N 2.96Å; E115-V117 VanDerWaalsContact C-N 3.25Å; E115-V117 PolarHBondContact O-N 3.25Å
118S79.1Confident86.3Confident88 Ų8866 Ų6662%0.61537%0.367SS*.  trans-59.3142.6179.560.10000110.6R113R113-S118 VanDerWaalsContact CZ-O 3.26Å; R113-S118 PolarHBondContact NE-O 3.49Å; R113-S118 PolarHBondContact NH2-O 3.03Å; R113-S118 PolarHBondContact NH2-OG 3.3Å
119T83Confident86.3Confident89 Ų8963.9 Ų63.955%0.54635%0.35SS..  trans-60.5149.2172.852.60000110.2T111 F112T111-T119 WeakPolarHBondContact O-CA 3.33Å; T111-T119 WeakPolarHBondContact O-CB 3.27Å; F112-T119 HydrophobicContact CD2-CG2 4.22Å
120T84Confident86.5Confident29 Ų2959.6 Ų59.618%0.17833%0.334CS..EExtended strand (participates in β ladder)trans-121.7150175.6-171.40000110.1T110 T111 R113T110-T120 WeakPolarHBondContact CA-O 3.42Å; T111-T120 PolarHBondContact N-O 3.42Å; T111-T120 PolarHBondContact O-N 2.9Å; T111-T120 WeakPolarHBondContact OG1-CG2 3.45Å; T111-T120 PolarHBondContact OG1-O 3.3Å; R113-T120 HydrophobicContact CG-CG2 4.18Å
121T89.7Confident86.8Confident86 Ų8655.6 Ų55.653%0.52831%0.307SS..EExtended strand (participates in β ladder)trans-85.2128.5169.7-55.90000108.5C108C108-T121 HydrophobicContact CB-CG2 4.35Å
122S91.5Very high87.3Confident0 Ų056.3 Ų56.30%031%0.309CS..EExtended strand (participates in β ladder)trans-120.5126.9178.1-60.60000108.5S23 H24 L25 C108 W109 T111S23-S122 WeakPolarHBondContact O-CB 3.37Å; H24-S122 PolarHBondContact O-OG 2.93Å; L25-S122 PolarHBondContact O-OG 2.91Å; C108-S122 WeakPolarHBondContact CA-O 3.38Å; W109-S122 PolarHBondContact N-O 3.26Å; W109-S122 PolarHBondContact O-N 3.48Å; T111-S122 PolarHBondContact OG1-OG 2.83Å
123C93.2Very high88Confident23 Ų2349.9 Ų49.916%0.15528%0.281CS..EExtended strand (participates in β ladder)trans-118.1132179.5-60.50000110.2R30 V107 C108 Y131R30-C123 PolarHBondContact NH1-O 3.06Å; R30-C123 PolarHBondContact NH2-O 2.94Å; R30-C123 VanDerWaalsContact NH2-O 3.08Å; V107-C123 CarbonylContact O-C 3.57Å; V107-C123 VanDerWaalsContact O-CA 3.31Å; V107-C123 WeakPolarHBondContact O-CA 3.46Å; C108-C123 HydrophobicContact CB-CB 4.09Å; C108-C123 WeakPolarHBondContact CB-SG 3.3Å; C108-C123 WeakPolarHBondContact SG-CB 3.34Å; C108-C123 CovalentContact SG-SG 2.04Å; C108-C123 PolarHBondContact SG-SG 3.26Å; C123-Y131 WeakPolarHBondContact O-CE2 3.34Å
124E92.3Very high88.8Confident85 Ų8547.7 Ų47.740%0.39727%0.273SS..EExtended strand (participates in β ladder)trans-115.9142.8177.2175.8174.117900111E106 V107 W109 Y131E106-E124 CarbonylContact C-O 3.57Å; E106-E124 WeakPolarHBondContact CA-O 3.05Å; E106-E124 WeakPolarHBondContact CB-O 3.44Å; V107-E124 PolarHBondContact N-O 3.4Å; V107-E124 PolarHBondContact O-N 3.26Å; W109-E124 HydrophobicContact CH2-CB 3.57Å; W109-E124 HydrophobicContact CZ3-CB 3.99Å; E124-Y131 HydrophobicContact CB-CE2 4.08Å; E124-Y131 HydrophobicContact CG-CD1 4.42Å; E124-Y131 HydrophobicContact CG-CE1 3.83Å; E124-Y131 HydrophobicContact CG-CE2 4.13Å
125G93.8Very high89.7Confident21 Ų2147.9 Ų47.922%0.21627%0.268CS..SBendtrans135.7171.7171.700000112.9T105 G127 N128 Y131T105-G125 CarbonylContact O-C 3.45Å; T105-G125 WeakPolarHBondContact O-CA 3.48Å; G125-G127 PolarHBondContact O-N 3.33Å; G125-N128 VanDerWaalsContact O-CB 3.31Å; G125-N128 WeakPolarHBondContact O-CB 3.48Å; G125-N128 PolarHBondContact O-N 3.27Å; G125-Y131 WeakPolarHBondContact O-CB 3.46Å
126L94.5Very high90.8Very high70 Ų7041.2 Ų41.237%0.36624%0.239SC..THydrogen-bonded Turntrans-68.4-16.1-179.3-70.3175.7000113.2Y94 T105 N128 F132 N135Y94-L126 HydrophobicContact CE1-CB 3.9Å; Y94-L126 WeakPolarHBondContact CE1-O 3.41Å; Y94-L126 WeakPolarHBondContact OH-CB 3.49Å; T105-L126 PolarHBondContact O-N 2.84Å; T105-L126 VanDerWaalsContact O-N 3.16Å; L126-N128 PolarHBondContact O-N 3.48Å; L126-F132 HydrophobicContact CB-CD2 4.45Å; L126-F132 HydrophobicContact CD2-CD2 4.4Å; L126-F132 WeakPolarHBondContact O-CD2 3.38Å; L126-N135 HydrophobicContact CD2-CB 4Å
127G94.7Very high91.9Very high8 Ų832.9 Ų32.98%0.08220%0.195CC..THydrogen-bonded Turntrans-66.8-23.3169.900000113.1F91 T105 G125F91-G127 WeakPolarHBondContact CE2-O 3.2Å; F91-G127 VanDerWaalsContact CZ-O 3.23Å; F91-G127 WeakPolarHBondContact CZ-O 3.26Å; T105-G127 PolarHBondContact O-N 2.91Å; T105-G127 WeakPolarHBondContact OG1-CA 3.39Å; G125-G127 PolarHBondContact O-N 3.33Å
128N95.1Very high92.9Very high20 Ų2031.2 Ų31.211%0.10718%0.184CC..SBendtrans-85.3129.1179.3-171.3-79.3000111.1E106 G125 L126 F130 Y131 F132E106-N128 WeakPolarHBondContact OE2-CA 3.5Å; E106-N128 WeakPolarHBondContact OE2-CB 3.29Å; E106-N128 PolarHBondContact OE2-N 3.02Å; G125-N128 VanDerWaalsContact O-CB 3.31Å; G125-N128 WeakPolarHBondContact O-CB 3.48Å; G125-N128 PolarHBondContact O-N 3.27Å; L126-N128 PolarHBondContact O-N 3.48Å; N128-F130 VanDerWaalsContact C-N 3.27Å; N128-F130 PolarHBondContact O-N 2.84Å; N128-F130 WeakPolarHBondContact OD1-CB 3.27Å; N128-F130 VanDerWaalsContact OD1-CD2 3.3Å; N128-F130 WeakPolarHBondContact OD1-CD2 3.46Å; N128-F130 PolarHBondContact OD1-N 3.29Å; N128-F130 VanDerWaalsContact OD1-N 3.13Å; N128-Y131 HydrophobicContact CB-CD2 3.91Å; N128-Y131 PolarHBondContact O-N 2.95Å; N128-F132 PolarHBondContact O-N 3.36Å
129K95.6Very high93.6Very high23 Ų2328.7 Ų28.710%0.117%0.169CC..Hα-helixtrans-58.1-33.7-174.561.1-177.4179.5-159.60114E27 Y45 V49 D50 F91 Y133E27-K129 WeakPolarHBondContact OE1-CE 3.46Å; E27-K129 IonicContact OE1-NZ 3.21Å; E27-K129 PolarHBondContact OE1-NZ 3.39Å; Y45-K129 HydrophobicContact CE1-CB 4.17Å; Y45-K129 WeakPolarHBondContact CE1-O 3.4Å; Y45-K129 PolarHBondContact OH-O 2.95Å; V49-K129 HydrophobicContact CG1-CB 4.36Å; D50-K129 IonicContact OD1-NZ 3.15Å; D50-K129 PolarHBondContact OD1-NZ 3.47Å; D50-K129 IonicContact OD2-NZ 2.85Å; D50-K129 PolarHBondContact OD2-NZ 3.36Å; F91-K129 HydrophobicContact CE1-CB 3.94Å; F91-K129 HydrophobicContact CZ-CB 3.94Å; K129-Y133 WeakPolarHBondContact O-CB 3.36Å; K129-Y133 PolarHBondContact O-N 2.96Å; K129-Y133 VanDerWaalsContact O-N 3.14Å
130F95.4Very high94.2Very high2 Ų226.6 Ų26.61%0.00915%0.154CC..Hα-helixtrans-68.9-52.7179.1-65-88.6000111.1F22 E27 R30 E31 F34 Y42 N128 F132 Y133 V134F22-F130 HydrophobicContact CE1-CB 3.85Å; F22-F130 HydrophobicContact CZ-CB 3.84Å; F22-F130 HydrophobicContact CZ-CD1 4.21Å; F22-F130 HydrophobicContact CZ-CG 4.28Å; E27-F130 HydrophobicContact CG-CE2 3.83Å; E27-F130 HydrophobicContact CG-CZ 3.96Å; R30-F130 HydrophobicContact CB-CD1 3.86Å; R30-F130 HydrophobicContact CB-CE1 3.82Å; R30-F130 HydrophobicContact CB-CG 4.25Å; R30-F130 HydrophobicContact CB-CZ 4.22Å; E31-F130 HydrophobicContact CG-CE1 3.51Å; E31-F130 HydrophobicContact CG-CZ 3.45Å; E31-F130 VanDerWaalsContact CG-CZ 3.45Å; F34-F130 AromaticContact CE2-CD1 3.79Å; F34-F130 HydrophobicContact CE2-CD1 3.79Å; F34-F130 HydrophobicContact CE2-CE1 4.27Å; Y42-F130 HydrophobicContact CD1-CE1 4.34Å; Y42-F130 AromaticContact CE1-CD1 3.71Å; Y42-F130 HydrophobicContact CE1-CD1 3.71Å; Y42-F130 AromaticContact CE1-CE1 3.29Å; Y42-F130 HydrophobicContact CE1-CE1 3.29Å; Y42-F130 AromaticContact CE1-CZ 3.98Å; Y42-F130 HydrophobicContact CE1-CZ 3.98Å; Y42-F130 HydrophobicContact CE2-CD1 4.21Å; Y42-F130 AromaticContact CZ-CD1 3.4Å; Y42-F130 AromaticContact CZ-CE1 3.46Å; Y42-F130 VanDerWaalsContact CZ-CE1 3.46Å; Y42-F130 WeakPolarHBondContact OH-CD1 3.44Å; Y42-F130 WeakPolarHBondContact OH-CE1 3.41Å; Y42-F130 VanDerWaalsContact OH-CG 3.25Å; Y42-F130 WeakPolarHBondContact OH-CG 3.42Å; Y42-F130 WeakPolarHBondContact OH-CZ 3.41Å; N128-F130 VanDerWaalsContact C-N 3.27Å; N128-F130 PolarHBondContact O-N 2.84Å; N128-F130 WeakPolarHBondContact OD1-CB 3.27Å; N128-F130 VanDerWaalsContact OD1-CD2 3.3Å; N128-F130 WeakPolarHBondContact OD1-CD2 3.46Å; N128-F130 PolarHBondContact OD1-N 3.29Å; N128-F130 VanDerWaalsContact OD1-N 3.13Å; F130-F132 VanDerWaalsContact C-N 3.31Å; F130-F132 PolarHBondContact O-N 3.49Å; F130-Y133 PolarHBondContact O-N 3.39Å; F130-V134 WeakPolarHBondContact O-CG2 3.27Å; F130-V134 PolarHBondContact O-N 2.99Å
131Y95.5Very high94.7Very high20 Ų2025.5 Ų25.58%0.07815%0.148CC..Hα-helixtrans-62.1-40.2179.3-79.1-84.7000111.7F22 S23 C123 E124 G125 N128 N135F22-Y131 HydrophobicContact CD1-CE1 4.15Å; F22-Y131 HydrophobicContact CD1-CE2 4.1Å; F22-Y131 AromaticContact CD1-CZ 3.79Å; F22-Y131 HydrophobicContact CE1-CD2 4.45Å; F22-Y131 HydrophobicContact CE1-CE2 4.18Å; S23-Y131 WeakPolarHBondContact CA-OH 3.21Å; S23-Y131 PolarHBondContact N-OH 3.12Å; C123-Y131 WeakPolarHBondContact O-CE2 3.34Å; E124-Y131 HydrophobicContact CB-CE2 4.08Å; E124-Y131 HydrophobicContact CG-CD1 4.42Å; E124-Y131 HydrophobicContact CG-CE1 3.83Å; E124-Y131 HydrophobicContact CG-CE2 4.13Å; G125-Y131 WeakPolarHBondContact O-CB 3.46Å; N128-Y131 HydrophobicContact CB-CD2 3.91Å; N128-Y131 PolarHBondContact O-N 2.95Å; Y131-N135 WeakPolarHBondContact O-CB 3.4Å; Y131-N135 PolarHBondContact O-N 3.24Å; Y131-N135 PolarHBondContact O-ND2 3.3Å
132F97Very high95Very high22 Ų2221.4 Ų21.410%0.09612%0.123CC..Hα-helixtrans-60.6-50.9176.7-167.5-87.9000111.3L90 F91 Y94 L126 N128 F130 V134 N135 V136L90-F132 HydrophobicContact CB-CE1 3.92Å; L90-F132 HydrophobicContact CB-CZ 3.92Å; F91-F132 HydrophobicContact CB-CD1 3.59Å; F91-F132 HydrophobicContact CB-CE1 3.6Å; F91-F132 HydrophobicContact CB-CG 4.17Å; F91-F132 HydrophobicContact CB-CZ 4.18Å; F91-F132 HydrophobicContact CD2-CB 3.55Å; F91-F132 AromaticContact CD2-CD1 3.69Å; F91-F132 HydrophobicContact CD2-CD1 3.69Å; F91-F132 AromaticContact CD2-CD2 3.63Å; F91-F132 HydrophobicContact CD2-CD2 3.63Å; F91-F132 HydrophobicContact CD2-CE1 4.26Å; F91-F132 HydrophobicContact CD2-CE2 4.19Å; F91-F132 AromaticContact CD2-CG 3.33Å; F91-F132 HydrophobicContact CD2-CG 3.33Å; F91-F132 HydrophobicContact CD2-CZ 4.48Å; F91-F132 HydrophobicContact CE2-CB 3.87Å; F91-F132 HydrophobicContact CE2-CD2 4.32Å; F91-F132 HydrophobicContact CE2-CG 4.1Å; F91-F132 HydrophobicContact CG-CB 4.46Å; F91-F132 HydrophobicContact CG-CD1 4.02Å; F91-F132 HydrophobicContact CG-CE1 4.42Å; F91-F132 HydrophobicContact CG-CG 4.14Å; Y94-F132 HydrophobicContact CD1-CD2 4.15Å; Y94-F132 AromaticContact CD1-CE2 3.93Å; Y94-F132 HydrophobicContact CD1-CE2 3.93Å; Y94-F132 HydrophobicContact CD2-CE2 4.41Å; Y94-F132 HydrophobicContact CG-CD2 4.48Å; Y94-F132 AromaticContact CG-CE2 3.81Å; Y94-F132 HydrophobicContact CG-CE2 3.81Å; L126-F132 HydrophobicContact CB-CD2 4.45Å; L126-F132 HydrophobicContact CD2-CD2 4.4Å; L126-F132 WeakPolarHBondContact O-CD2 3.38Å; N128-F132 PolarHBondContact O-N 3.36Å; F130-F132 VanDerWaalsContact C-N 3.31Å; F130-F132 PolarHBondContact O-N 3.49Å; F132-V134 PolarHBondContact O-N 3.36Å; F132-N135 PolarHBondContact O-N 3.45Å; F132-V136 HydrophobicContact CD1-CG2 4.17Å; F132-V136 HydrophobicContact CE1-CG2 3.95Å; F132-V136 WeakPolarHBondContact O-CG2 3.47Å; F132-V136 PolarHBondContact O-N 2.97Å
133Y97.2Very high95.1Very high0 Ų024 Ų240%014%0.137CC..Hα-helixtrans-58.9-50.9179.6-176.8-95.9000111.8Y42 Y45 E84 A87 K129 F130 N135 V136 V137 S184 F189Y42-Y133 AromaticContact CD2-CD1 3.69Å; Y42-Y133 HydrophobicContact CD2-CD1 3.69Å; Y42-Y133 HydrophobicContact CD2-CD2 4.43Å; Y42-Y133 HydrophobicContact CD2-CE1 4.03Å; Y42-Y133 AromaticContact CD2-CG 3.92Å; Y42-Y133 HydrophobicContact CD2-CG 3.92Å; Y42-Y133 HydrophobicContact CE2-CD1 4.12Å; Y42-Y133 HydrophobicContact CE2-CG 4.03Å; Y45-Y133 AromaticContact CD1-CD2 3.68Å; Y45-Y133 HydrophobicContact CD1-CD2 3.68Å; Y45-Y133 HydrophobicContact CD1-CE2 4.41Å; Y45-Y133 HydrophobicContact CD1-CG 4.03Å; Y45-Y133 AromaticContact CD2-CD2 3.63Å; Y45-Y133 HydrophobicContact CD2-CD2 3.63Å; Y45-Y133 HydrophobicContact CD2-CE2 4.2Å; Y45-Y133 HydrophobicContact CE1-CD2 4.01Å; Y45-Y133 HydrophobicContact CE1-CG 4.1Å; Y45-Y133 AromaticContact CE2-CD2 3.95Å; Y45-Y133 HydrophobicContact CE2-CD2 3.95Å; Y45-Y133 AromaticContact CG-CD2 3.46Å; Y45-Y133 HydrophobicContact CG-CD2 3.46Å; Y45-Y133 VanDerWaalsContact CG-CD2 3.46Å; Y45-Y133 AromaticContact CG-CE2 3.92Å; Y45-Y133 HydrophobicContact CG-CE2 3.92Å; Y45-Y133 HydrophobicContact CG-CG 4.28Å; E84-Y133 HydrophobicContact CG-CE2 4.31Å; E84-Y133 PolarHBondContact OE1-OH 3.31Å; E84-Y133 VanDerWaalsContact OE1-OH 3.06Å; A87-Y133 HydrophobicContact CB-CD2 4.11Å; A87-Y133 HydrophobicContact CB-CE2 4.4Å; K129-Y133 WeakPolarHBondContact O-CB 3.36Å; K129-Y133 PolarHBondContact O-N 2.96Å; K129-Y133 VanDerWaalsContact O-N 3.14Å; F130-Y133 PolarHBondContact O-N 3.39Å; Y133-N135 VanDerWaalsContact C-N 3.32Å; Y133-N135 PolarHBondContact O-N 3.43Å; Y133-V136 WeakPolarHBondContact O-CB 3.43Å; Y133-V136 PolarHBondContact O-N 3.14Å; Y133-V137 HydrophobicContact CE1-CG2 4.36Å; Y133-V137 PolarHBondContact O-N 2.77Å; Y133-S184 WeakPolarHBondContact OH-CB 3.43Å; Y133-F189 HydrophobicContact CE2-CZ 4.33Å; Y133-F189 AromaticContact CZ-CZ 3.92Å; Y133-F189 WeakPolarHBondContact OH-CZ 3.31Å
134V95.8Very high95.2Very high3 Ų323.1 Ų23.12%0.01813%0.131CC..Hα-helixtrans-64.3-36.5-179.3175.60000111.4F16 F34 F130 F132 V136 V137 F138 P183F16-V134 HydrophobicContact CD1-CG1 4.22Å; F16-V134 HydrophobicContact CE1-CG1 4.07Å; F16-V134 HydrophobicContact CE1-CG2 4.47Å; F16-V134 HydrophobicContact CZ-CG1 4.34Å; F16-V134 HydrophobicContact CZ-CG2 4.32Å; F34-V134 HydrophobicContact CE1-CG2 4.2Å; F34-V134 HydrophobicContact CZ-CG2 3.84Å; F130-V134 WeakPolarHBondContact O-CG2 3.27Å; F130-V134 PolarHBondContact O-N 2.99Å; F132-V134 PolarHBondContact O-N 3.36Å; V134-V136 PolarHBondContact O-N 3.31Å; V134-V137 WeakPolarHBondContact O-CB 3.34Å; V134-V137 PolarHBondContact O-N 2.92Å; V134-F138 HydrophobicContact CG1-CD1 4.2Å; V134-F138 HydrophobicContact CG1-CD2 3.97Å; V134-F138 HydrophobicContact CG1-CE1 3.6Å; V134-F138 HydrophobicContact CG1-CE2 3.32Å; V134-F138 HydrophobicContact CG1-CG 4.37Å; V134-F138 HydrophobicContact CG1-CZ 3.1Å; V134-F138 WeakPolarHBondContact O-CG 3.3Å; V134-F138 PolarHBondContact O-N 2.84Å; V134-P183 HydrophobicContact CG1-CB 4.47Å; V134-P183 HydrophobicContact CG1-CG 4.4Å; V134-P183 HydrophobicContact CG2-CG 4.17Å
135N95.4Very high95.4Very high29 Ų2919.4 Ų19.416%0.15511%0.114CC..Hα-helixtrans-66.5-34.2175.6-89.8-84.4000113.3R9 L126 Y131 F132 Y133 V137 F138 A139R9-N135 PolarHBondContact NH1-OD1 2.89Å; L126-N135 HydrophobicContact CD2-CB 4Å; Y131-N135 WeakPolarHBondContact O-CB 3.4Å; Y131-N135 PolarHBondContact O-N 3.24Å; Y131-N135 PolarHBondContact O-ND2 3.3Å; F132-N135 PolarHBondContact O-N 3.45Å; Y133-N135 VanDerWaalsContact C-N 3.32Å; Y133-N135 PolarHBondContact O-N 3.43Å; N135-V137 VanDerWaalsContact C-N 3.29Å; N135-V137 PolarHBondContact O-N 3.41Å; N135-F138 PolarHBondContact O-N 3.35Å; N135-A139 WeakPolarHBondContact O-CB 3.21Å; N135-A139 PolarHBondContact O-N 2.88Å
136V95.7Very high95.5Very high35 Ų3518.4 Ų18.421%0.21210%0.104CC..Hα-helixtrans-59.1-45.5171.7170.30000109.8F132 Y133 V134 A139 L140F132-V136 HydrophobicContact CD1-CG2 4.17Å; F132-V136 HydrophobicContact CE1-CG2 3.95Å; F132-V136 WeakPolarHBondContact O-CG2 3.47Å; F132-V136 PolarHBondContact O-N 2.97Å; Y133-V136 WeakPolarHBondContact O-CB 3.43Å; Y133-V136 PolarHBondContact O-N 3.14Å; V134-V136 PolarHBondContact O-N 3.31Å; V136-A139 WeakPolarHBondContact O-CB 3.44Å; V136-A139 PolarHBondContact O-N 3.38Å; V136-L140 PolarHBondContact O-N 3.35Å; V136-L140 VanDerWaalsContact O-N 3.12Å
137V96.3Very high95.6Very high0 Ų015.5 Ų15.50%09%0.089CC..Hα-helixtrans-64.8-41.9176.6-171.40000111.5Y133 V134 N135 A139 L140 G141 T179 P183 C188 F189Y133-V137 HydrophobicContact CE1-CG2 4.36Å; Y133-V137 PolarHBondContact O-N 2.77Å; V134-V137 WeakPolarHBondContact O-CB 3.34Å; V134-V137 PolarHBondContact O-N 2.92Å; N135-V137 VanDerWaalsContact C-N 3.29Å; N135-V137 PolarHBondContact O-N 3.41Å; V137-A139 VanDerWaalsContact C-N 3.3Å; V137-A139 PolarHBondContact O-N 2.9Å; V137-L140 CarbonylContact O-C 3.58Å; V137-L140 WeakPolarHBondContact O-CA 3.46Å; V137-L140 WeakPolarHBondContact O-CB 3.43Å; V137-L140 PolarHBondContact O-N 3.03Å; V137-L140 VanDerWaalsContact O-N 3.11Å; V137-G141 PolarHBondContact O-N 3.05Å; V137-T179 HydrophobicContact CG1-CG2 3.61Å; V137-P183 HydrophobicContact CB-CB 4.09Å; V137-P183 HydrophobicContact CG1-CB 3.91Å; V137-P183 WeakPolarHBondContact CG1-O 3.25Å; V137-P183 HydrophobicContact CG2-CB 4.24Å; V137-C188 HydrophobicContact CG1-CB 3.68Å; V137-F189 HydrophobicContact CG2-CE1 3.99Å; V137-F189 HydrophobicContact CG2-CE2 4.16Å; V137-F189 HydrophobicContact CG2-CZ 3.53Å
138F96Very high95.7Very high3 Ų315.1 Ų15.11%0.0139%0.085CC..Hα-helixtrans-65.3-33.3177.4-64.6-14.2000112.7R9 L12 A13 F16 V134 N135 G141 G142 T179 P183R9-F138 HydrophobicContact CG-CB 3.81Å; L12-F138 HydrophobicContact CB-CB 4.31Å; L12-F138 HydrophobicContact CB-CD1 3.82Å; L12-F138 HydrophobicContact CB-CD2 4.29Å; L12-F138 HydrophobicContact CB-CE1 4.16Å; L12-F138 HydrophobicContact CB-CG 3.89Å; L12-F138 HydrophobicContact CD1-CB 4.38Å; L12-F138 HydrophobicContact CD1-CD1 4.17Å; A13-F138 HydrophobicContact CB-CD2 4.02Å; A13-F138 HydrophobicContact CB-CE2 4.04Å; F16-F138 HydrophobicContact CB-CE2 4.11Å; F16-F138 HydrophobicContact CB-CZ 3.56Å; F16-F138 HydrophobicContact CD1-CE2 4.41Å; F16-F138 HydrophobicContact CD1-CZ 4.1Å; F16-F138 HydrophobicContact CD2-CZ 4.35Å; F16-F138 HydrophobicContact CG-CE2 4.41Å; F16-F138 AromaticContact CG-CZ 3.77Å; F16-F138 HydrophobicContact CG-CZ 3.77Å; V134-F138 HydrophobicContact CG1-CD1 4.2Å; V134-F138 HydrophobicContact CG1-CD2 3.97Å; V134-F138 HydrophobicContact CG1-CE1 3.6Å; V134-F138 HydrophobicContact CG1-CE2 3.32Å; V134-F138 HydrophobicContact CG1-CG 4.37Å; V134-F138 HydrophobicContact CG1-CZ 3.1Å; V134-F138 WeakPolarHBondContact O-CG 3.3Å; V134-F138 PolarHBondContact O-N 2.84Å; N135-F138 PolarHBondContact O-N 3.35Å; F138-G141 PolarHBondContact O-N 3.42Å; F138-G142 PolarHBondContact O-N 3.34Å; F138-T179 HydrophobicContact CD1-CG2 4Å; F138-T179 HydrophobicContact CE1-CG2 4.29Å; F138-P183 HydrophobicContact CE1-CB 4.46Å
139A95.1Very high95.8Very high35 Ų3515.6 Ų15.629%0.2899%0.086SC..Hα-helixtrans-63.5-41171.300000111.5N135 V136 V137 G142 L143N135-A139 WeakPolarHBondContact O-CB 3.21Å; N135-A139 PolarHBondContact O-N 2.88Å; V136-A139 WeakPolarHBondContact O-CB 3.44Å; V136-A139 PolarHBondContact O-N 3.38Å; V137-A139 VanDerWaalsContact C-N 3.3Å; V137-A139 PolarHBondContact O-N 2.9Å; A139-G142 PolarHBondContact O-N 2.91Å; A139-G142 VanDerWaalsContact O-N 3.15Å; A139-L143 PolarHBondContact O-N 3.12Å
140L95.3Very high95.9Very high44 Ų4417.2 Ų17.223%0.2310%0.096CC..Hα-helixtrans-64.1-37.6172.2-69.2172.8000112.4V136 V137 G142 L143 L144 F189 P192V136-L140 PolarHBondContact O-N 3.35Å; V136-L140 VanDerWaalsContact O-N 3.12Å; V137-L140 CarbonylContact O-C 3.58Å; V137-L140 WeakPolarHBondContact O-CA 3.46Å; V137-L140 WeakPolarHBondContact O-CB 3.43Å; V137-L140 PolarHBondContact O-N 3.03Å; V137-L140 VanDerWaalsContact O-N 3.11Å; L140-G142 VanDerWaalsContact C-N 3.29Å; L140-G142 PolarHBondContact O-N 3.18Å; L140-L143 HydrophobicContact CD2-CD2 4.35Å; L140-L143 WeakPolarHBondContact O-CB 3.19Å; L140-L143 PolarHBondContact O-N 3.08Å; L140-L144 PolarHBondContact O-N 3.08Å; L140-F189 HydrophobicContact CD1-CD1 3.49Å; L140-F189 VanDerWaalsContact CD1-CD1 3.49Å; L140-F189 HydrophobicContact CD1-CE1 4.04Å; L140-F189 HydrophobicContact CD1-CG 4.33Å; L140-P192 HydrophobicContact CB-CG 4.26Å
141G94.7Very high96Very high6 Ų617.1 Ų17.16%0.06210%0.095CC..Hα-helixtrans-62-35.2170.800000113.1V137 F138 L144 A145V137-G141 PolarHBondContact O-N 3.05Å; F138-G141 PolarHBondContact O-N 3.42Å; G141-L144 WeakPolarHBondContact O-CB 3.45Å; G141-A145 PolarHBondContact O-N 2.92Å
142G94.6Very high96.1Very high0 Ų016.1 Ų16.10%09%0.091CC..Hα-helixtrans-70.9-36.6171.600000113.8F138 A139 L140 A145 S146F138-G142 PolarHBondContact O-N 3.34Å; A139-G142 PolarHBondContact O-N 2.91Å; A139-G142 VanDerWaalsContact O-N 3.15Å; L140-G142 VanDerWaalsContact C-N 3.29Å; L140-G142 PolarHBondContact O-N 3.18Å; G142-A145 PolarHBondContact O-N 3.39Å; G142-S146 WeakPolarHBondContact O-CB 3.46Å; G142-S146 PolarHBondContact O-N 3.45Å; G142-S146 VanDerWaalsContact O-N 3.07Å; G142-S146 PolarHBondContact O-OG 3.47Å
143L95.1Very high96.1Very high54 Ų5420.2 Ų20.228%0.28311%0.107SC..Hα-helixtrans-62.6-42.8171.1177.761.4000111.1M1 L5 A139 L140 A145 S146 L147 P192M1-L143 HydrophobicContact CE-CD1 3.58Å; L5-L143 HydrophobicContact CD1-CB 4.49Å; A139-L143 PolarHBondContact O-N 3.12Å; L140-L143 HydrophobicContact CD2-CD2 4.35Å; L140-L143 WeakPolarHBondContact O-CB 3.19Å; L140-L143 PolarHBondContact O-N 3.08Å; L143-A145 PolarHBondContact O-N 3.37Å; L143-S146 WeakPolarHBondContact O-CB 3.36Å; L143-S146 PolarHBondContact O-N 2.94Å; L143-S146 VanDerWaalsContact O-N 3.16Å; L143-L147 HydrophobicContact CD1-CD1 4.25Å; L143-L147 HydrophobicContact CD1-CG 4.14Å; L143-L147 HydrophobicContact CG-CD1 4.01Å; L143-L147 HydrophobicContact CG-CG 4.36Å; L143-L147 WeakPolarHBondContact O-CG 3.38Å; L143-L147 PolarHBondContact O-N 3.38Å; L143-P192 HydrophobicContact CD2-CB 4.22Å; L143-P192 HydrophobicContact CG-CB 4.41Å
144L95.2Very high96Very high6 Ų621.9 Ų21.93%0.03112%0.116CC..Hα-helixtrans-55.8-51.1175.5176.465000111.8L140 G141 S146 L147 L148 F169 Y191 P192 L195L140-L144 PolarHBondContact O-N 3.08Å; G141-L144 WeakPolarHBondContact O-CB 3.45Å; L144-S146 VanDerWaalsContact C-N 3.26Å; L144-S146 PolarHBondContact O-N 3.38Å; L144-L147 PolarHBondContact O-N 2.88Å; L144-L148 HydrophobicContact CG-CD1 4.36Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 3.45Å; L144-F169 HydrophobicContact CD2-CE2 4.47Å; L144-F169 HydrophobicContact CD2-CZ 3.92Å; L144-F169 HydrophobicContact CG-CZ 4.43Å; L144-Y191 HydrophobicContact CD1-CD1 3.47Å; L144-Y191 VanDerWaalsContact CD1-CD1 3.47Å; L144-Y191 HydrophobicContact CD1-CE1 3.48Å; L144-Y191 VanDerWaalsContact CD1-CE1 3.48Å; L144-Y191 HydrophobicContact CD1-CG 4.14Å; L144-Y191 HydrophobicContact CD2-CD1 3.57Å; L144-Y191 HydrophobicContact CD2-CE1 3.81Å; L144-Y191 HydrophobicContact CG-CD1 4.17Å; L144-Y191 HydrophobicContact CG-CE1 4.24Å; L144-P192 HydrophobicContact CB-CG 4.27Å; L144-L195 HydrophobicContact CD1-CB 4.38Å; L144-L195 HydrophobicContact CD1-CD2 3.58Å
145A95.3Very high95.9Very high6 Ų622 Ų225%0.0512%0.116CC..Hα-helixtrans-60.6-37.217800000112.3R8 G141 G142 L143 L148 F149 F169R8-A145 HydrophobicContact CB-CB 4.24Å; R8-A145 HydrophobicContact CG-CB 4.01Å; G141-A145 PolarHBondContact O-N 2.92Å; G142-A145 PolarHBondContact O-N 3.39Å; L143-A145 PolarHBondContact O-N 3.37Å; A145-L148 PolarHBondContact O-N 2.83Å; A145-F149 PolarHBondContact O-N 2.83Å; A145-F169 HydrophobicContact CB-CD1 4.33Å; A145-F169 HydrophobicContact CB-CE1 4.2Å
146S95.8Very high95.9Very high1 Ų120.6 Ų20.61%0.00711%0.109CC..Hα-helixtrans-66.4-41.3176.2-640000112.7M1 G142 L143 L144 F149 L150M1-S146 PolarHBondContact O-OG 3.34Å; G142-S146 WeakPolarHBondContact O-CB 3.46Å; G142-S146 PolarHBondContact O-N 3.45Å; G142-S146 VanDerWaalsContact O-N 3.07Å; G142-S146 PolarHBondContact O-OG 3.47Å; L143-S146 WeakPolarHBondContact O-CB 3.36Å; L143-S146 PolarHBondContact O-N 2.94Å; L143-S146 VanDerWaalsContact O-N 3.16Å; L144-S146 VanDerWaalsContact C-N 3.26Å; L144-S146 PolarHBondContact O-N 3.38Å; S146-F149 WeakPolarHBondContact O-CB 3.4Å; S146-F149 PolarHBondContact O-N 3.16Å; S146-L150 WeakPolarHBondContact O-CG 3.47Å; S146-L150 PolarHBondContact O-N 3.26Å; S146-L150 VanDerWaalsContact O-N 3.12Å
147L97.2Very high95.8Very high9 Ų924 Ų245%0.04713%0.126CC..Hα-helixtrans-67.9-38175.7-71.1171.4000111.6L143 L144 L150 F151 P192 L195 L196 L199L143-L147 HydrophobicContact CD1-CD1 4.25Å; L143-L147 HydrophobicContact CD1-CG 4.14Å; L143-L147 HydrophobicContact CG-CD1 4.01Å; L143-L147 HydrophobicContact CG-CG 4.36Å; L143-L147 WeakPolarHBondContact O-CG 3.38Å; L143-L147 PolarHBondContact O-N 3.38Å; L144-L147 PolarHBondContact O-N 2.88Å; L147-L150 PolarHBondContact O-N 3.01Å; L147-F151 WeakPolarHBondContact O-CB 3.22Å; L147-F151 PolarHBondContact O-N 3.41Å; L147-P192 HydrophobicContact CD1-CB 4.33Å; L147-P192 WeakPolarHBondContact CD1-O 3.18Å; L147-L195 HydrophobicContact CB-CD2 3.67Å; L147-L195 HydrophobicContact CB-CG 4.23Å; L147-L196 HydrophobicContact CD1-CB 4.11Å; L147-L196 HydrophobicContact CD2-CB 4.41Å; L147-L196 HydrophobicContact CD2-CD1 3.89Å; L147-L199 HydrophobicContact CD2-CD2 4.14Å
148L97.3Very high95.7Very high0 Ų025.2 Ų25.20%013%0.134CC..Hα-helixtrans-61.4-42.6173.6-73.6173.7000111.8L144 A145 L150 F151 G152 T165 F169 L195 P370 I374L144-L148 HydrophobicContact CG-CD1 4.36Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 3.45Å; A145-L148 PolarHBondContact O-N 2.83Å; L148-L150 VanDerWaalsContact C-N 3.35Å; L148-L150 PolarHBondContact O-N 2.6Å; L148-F151 PolarHBondContact O-N 3.48Å; L148-G152 PolarHBondContact O-N 3.06Å; L148-T165 HydrophobicContact CB-CG2 4.06Å; L148-T165 WeakPolarHBondContact O-CG2 3.49Å; L148-F169 HydrophobicContact CD1-CB 4.11Å; L148-F169 HydrophobicContact CD1-CD1 3.93Å; L148-F169 HydrophobicContact CD1-CD2 3.51Å; L148-F169 HydrophobicContact CD1-CE1 4.2Å; L148-F169 HydrophobicContact CD1-CE2 3.82Å; L148-F169 HydrophobicContact CD1-CG 3.58Å; L148-F169 HydrophobicContact CD1-CZ 4.16Å; L148-L195 HydrophobicContact CB-CD2 4.45Å; L148-L195 HydrophobicContact CD2-CD1 4.12Å; L148-L195 HydrophobicContact CD2-CD2 3.52Å; L148-L195 HydrophobicContact CD2-CG 4.49Å; L148-L195 HydrophobicContact CG-CD2 3.59Å; L148-P370 HydrophobicContact CD1-CB 4.15Å; L148-P370 HydrophobicContact CD2-CB 3.77Å; L148-I374 HydrophobicContact CD2-CD1 3.75Å; L148-I374 HydrophobicContact CD2-CG1 3.97Å
149F97.4Very high95.7Very high29 Ų2930.4 Ų30.413%0.12716%0.161CC..Hα-helixtrans-57.1-47.8172.3171-84.3000111.5Y4 A145 S146 F151 G152 Y153 I159 G162 V163 A166Y4-F149 AromaticContact CE2-CD2 3.86Å; Y4-F149 HydrophobicContact CE2-CD2 3.86Å; Y4-F149 AromaticContact CE2-CE2 3.97Å; Y4-F149 HydrophobicContact CE2-CE2 3.97Å; Y4-F149 HydrophobicContact CE2-CG 4.38Å; A145-F149 PolarHBondContact O-N 2.83Å; S146-F149 WeakPolarHBondContact O-CB 3.4Å; S146-F149 PolarHBondContact O-N 3.16Å; F149-F151 VanDerWaalsContact C-N 3.29Å; F149-F151 PolarHBondContact O-N 3.35Å; F149-G152 PolarHBondContact O-N 2.86Å; F149-Y153 WeakPolarHBondContact O-CB 3.14Å; F149-Y153 PolarHBondContact O-N 3.48Å; F149-I159 HydrophobicContact CZ-CG2 4.21Å; F149-G162 VanDerWaalsContact CD2-O 3.3Å; F149-G162 WeakPolarHBondContact CD2-O 3.43Å; F149-G162 WeakPolarHBondContact O-CA 3.32Å; F149-V163 HydrophobicContact CE2-CG2 3.87Å; F149-A166 HydrophobicContact CB-CB 4.45Å
150L96.8Very high95.8Very high57 Ų5731.7 Ų31.730%0.29816%0.163SC..Hα-helixtrans-63.9-35.6178.8-69.5175.4000112M1 S146 L147 L148 Y153 L154 L199M1-L150 HydrophobicContact SD-CD1 4.4Å; S146-L150 WeakPolarHBondContact O-CG 3.47Å; S146-L150 PolarHBondContact O-N 3.26Å; S146-L150 VanDerWaalsContact O-N 3.12Å; L147-L150 PolarHBondContact O-N 3.01Å; L148-L150 VanDerWaalsContact C-N 3.35Å; L148-L150 PolarHBondContact O-N 2.6Å; L150-Y153 PolarHBondContact O-N 2.88Å; L150-L154 VanDerWaalsContact O-CB 3.25Å; L150-L154 WeakPolarHBondContact O-CB 3.09Å; L150-L154 PolarHBondContact O-N 2.84Å; L150-L199 HydrophobicContact CB-CD2 4.02Å
151F97.4Very high95.9Very high0 Ų029.6 Ų29.60%015%0.152CC..Hα-helixtrans-66.9-48.1176-148.2136.2000111.4L147 L148 F149 Y153 L154 L155 L195 M198 L199 T202 T347 I374L147-F151 WeakPolarHBondContact O-CB 3.22Å; L147-F151 PolarHBondContact O-N 3.41Å; L148-F151 PolarHBondContact O-N 3.48Å; F149-F151 VanDerWaalsContact C-N 3.29Å; F149-F151 PolarHBondContact O-N 3.35Å; F151-Y153 VanDerWaalsContact C-N 3.3Å; F151-Y153 PolarHBondContact O-N 3.5Å; F151-L154 PolarHBondContact O-N 3.25Å; F151-L155 WeakPolarHBondContact O-CB 3.1Å; F151-L155 PolarHBondContact O-N 2.91Å; F151-L195 HydrophobicContact CD1-CD1 3.67Å; F151-L195 HydrophobicContact CD1-CG 4.4Å; F151-L195 HydrophobicContact CE1-CD1 3.99Å; F151-M198 HydrophobicContact CE1-CB 3.87Å; F151-M198 HydrophobicContact CZ-CB 4.47Å; F151-L199 VanDerWaalsContact CA-CD1 3.45Å; F151-L199 HydrophobicContact CB-CD1 3.78Å; F151-L199 HydrophobicContact CD1-CB 3.98Å; F151-L199 HydrophobicContact CD1-CD1 3.96Å; F151-L199 HydrophobicContact CD2-CD1 4.32Å; F151-L199 HydrophobicContact CE1-CB 4.28Å; F151-L199 HydrophobicContact CG-CD1 3.76Å; F151-T202 HydrophobicContact CE2-CG2 3.9Å; F151-T202 HydrophobicContact CZ-CG2 4.31Å; F151-T202 VanDerWaalsContact CZ-OG1 3.28Å; F151-T202 WeakPolarHBondContact CZ-OG1 3.29Å; F151-T347 HydrophobicContact CE2-CG2 4.33Å; F151-I374 HydrophobicContact CB-CD1 4.12Å; F151-I374 HydrophobicContact CB-CG1 4.13Å; F151-I374 HydrophobicContact CD1-CD1 3.79Å; F151-I374 HydrophobicContact CD2-CD1 4.17Å; F151-I374 HydrophobicContact CD2-CG1 4.4Å; F151-I374 HydrophobicContact CD2-CG2 3.48Å; F151-I374 VanDerWaalsContact CD2-CG2 3.48Å; F151-I374 HydrophobicContact CE1-CD1 4.19Å; F151-I374 HydrophobicContact CE2-CG2 3.87Å; F151-I374 HydrophobicContact CG-CD1 3.77Å; F151-I374 HydrophobicContact CG-CG1 4.16Å; F151-I374 HydrophobicContact CG-CG2 4.1Å
152G97.4Very high96Very high0 Ų029.3 Ų29.30%015%0.149CC..Hα-helixtrans-59.7-40.5174.700000112.3L148 F149 L155 S156 S377L148-G152 PolarHBondContact O-N 3.06Å; F149-G152 PolarHBondContact O-N 2.86Å; G152-L155 PolarHBondContact O-N 3.08Å; G152-S156 VanDerWaalsContact O-CB 3.3Å; G152-S156 WeakPolarHBondContact O-CB 3.38Å; G152-S156 PolarHBondContact O-N 3.03Å; G152-S156 PolarHBondContact O-OG 3.06Å; G152-S377 WeakPolarHBondContact O-CB 3.48Å; G152-S377 PolarHBondContact O-OG 3.41Å
153Y97Very high96Very high107 Ų10731.6 Ų31.642%0.4216%0.163SC..Hα-helixtrans-62.3-50.4173.7168.2-109.9000112.1F149 L150 F151 L155 S156 D157 I159F149-Y153 WeakPolarHBondContact O-CB 3.14Å; F149-Y153 PolarHBondContact O-N 3.48Å; L150-Y153 PolarHBondContact O-N 2.88Å; F151-Y153 VanDerWaalsContact C-N 3.3Å; F151-Y153 PolarHBondContact O-N 3.5Å; Y153-L155 VanDerWaalsContact C-N 3.27Å; Y153-L155 PolarHBondContact O-N 3.38Å; Y153-S156 PolarHBondContact O-N 3.42Å; Y153-D157 WeakPolarHBondContact O-CA 3.23Å; Y153-D157 PolarHBondContact O-N 2.97Å; Y153-I159 HydrophobicContact CD2-CG1 4.18Å; Y153-I159 HydrophobicContact CE2-CG1 4.08Å
154L95.1Very high96.1Very high36 Ų3629.3 Ų29.319%0.18815%0.15CC..Hα-helixtrans-59.6-38.8179.2178.170.7000111.4L150 F151 L199 T202 A203 K206L150-L154 VanDerWaalsContact O-CB 3.25Å; L150-L154 WeakPolarHBondContact O-CB 3.09Å; L150-L154 PolarHBondContact O-N 2.84Å; F151-L154 PolarHBondContact O-N 3.25Å; L154-L199 HydrophobicContact CB-CD1 4.29Å; L154-L199 HydrophobicContact CD2-CD1 3.66Å; L154-T202 HydrophobicContact CD2-CG2 4.09Å; L154-A203 HydrophobicContact CD1-CB 4.24Å; L154-A203 HydrophobicContact CD2-CB 3.81Å; L154-K206 HydrophobicContact CD1-CD 3.98Å; L154-K206 HydrophobicContact CG-CD 4.35Å; L154-K206 WeakPolarHBondContact O-CD 3.45Å; L154-K206 PolarHBondContact O-NZ 3.07Å
155L94.6Very high96.2Very high4 Ų429 Ų292%0.02115%0.149CC..Hα-helixtrans-77.3-38.3-176.9-16863000112.3F151 G152 Y153 A343 V344 T347 I374 I375 L378F151-L155 WeakPolarHBondContact O-CB 3.1Å; F151-L155 PolarHBondContact O-N 2.91Å; G152-L155 PolarHBondContact O-N 3.08Å; Y153-L155 VanDerWaalsContact C-N 3.27Å; Y153-L155 PolarHBondContact O-N 3.38Å; L155-A343 HydrophobicContact CD1-CB 4.45Å; L155-V344 HydrophobicContact CD1-CG2 3.9Å; L155-T347 HydrophobicContact CD2-CG2 4.2Å; L155-I374 HydrophobicContact CD2-CG2 3.74Å; L155-I375 HydrophobicContact CD2-CG2 4.45Å; L155-L378 HydrophobicContact CD2-CD1 4.16Å; L155-L378 HydrophobicContact CD2-CD2 4.45Å; L155-L378 HydrophobicContact CD2-CG 4.08Å; L155-L378 HydrophobicContact CG-CD1 4.45Å; L155-L378 HydrophobicContact CG-CD2 3.92Å; L155-L378 HydrophobicContact CG-CG 4.1Å
156S95Very high96.2Very high1 Ų129.2 Ų29.21%0.00715%0.151CC..Hα-helixtrans-91.5-13.5-175.164.90000115.5G152 Y153 S158 G161 S377 N381G152-S156 VanDerWaalsContact O-CB 3.3Å; G152-S156 WeakPolarHBondContact O-CB 3.38Å; G152-S156 PolarHBondContact O-N 3.03Å; G152-S156 PolarHBondContact O-OG 3.06Å; Y153-S156 PolarHBondContact O-N 3.42Å; S156-S158 PolarHBondContact O-N 3.36Å; S156-S158 PolarHBondContact OG-N 3.42Å; S156-S158 PolarHBondContact OG-O 3.38Å; S156-S158 VanDerWaalsContact OG-O 3.14Å; S156-G161 WeakPolarHBondContact OG-CA 3.41Å; S156-S377 WeakPolarHBondContact CB-O 3.48Å; S156-N381 WeakPolarHBondContact O-CB 3.36Å
157D92.9Very high96.2Very high107 Ų10731.3 Ų31.357%0.57216%0.163SC*.THydrogen-bonded Turntrans56.125.4-167.4-66.6-55.9000113.5Y153 K206Y153-D157 WeakPolarHBondContact O-CA 3.23Å; Y153-D157 PolarHBondContact O-N 2.97Å; D157-K206 IonicContact OD1-NZ 2.59Å; D157-K206 PolarHBondContact OD1-NZ 2.91Å; D157-K206 IonicContact OD2-NZ 2.7Å; D157-K206 PolarHBondContact OD2-NZ 3.45Å
158S94.9Very high96.1Very high24 Ų2430.9 Ų30.917%0.16816%0.161CC..SBendtrans-140.1131.9-175.9179.80000111.4S156 L160 G161 G162S156-S158 PolarHBondContact O-N 3.36Å; S156-S158 PolarHBondContact OG-N 3.42Å; S156-S158 PolarHBondContact OG-O 3.38Å; S156-S158 VanDerWaalsContact OG-O 3.14Å; S158-L160 PolarHBondContact O-N 3.12Å; S158-L160 PolarHBondContact OG-N 2.98Å; S158-G161 PolarHBondContact O-N 3.35Å; S158-G162 PolarHBondContact O-N 2.88Å
159I96Very high96Very high113 Ų11330.9 Ų30.958%0.57916%0.161SC*.Hα-helixtrans-57.4-37.6173.8-65.6172.9000109.8F149 Y153 G161 G162 V163F149-I159 HydrophobicContact CZ-CG2 4.21Å; Y153-I159 HydrophobicContact CD2-CG1 4.18Å; Y153-I159 HydrophobicContact CE2-CG1 4.08Å; I159-G161 VanDerWaalsContact C-N 3.26Å; I159-G161 PolarHBondContact O-N 2.96Å; I159-G162 PolarHBondContact O-N 3.45Å; I159-G162 VanDerWaalsContact O-N 3.12Å; I159-V163 HydrophobicContact CG2-CG2 4.48Å; I159-V163 WeakPolarHBondContact O-CG2 3.19Å; I159-V163 PolarHBondContact O-N 3.21Å
160L96.6Very high95.9Very high62 Ų6232.2 Ų32.233%0.32517%0.169SC..Hα-helixtrans-64.2-31.1177.7-63.4175.8000112.5S158 V163 L164 F380 V399S158-L160 PolarHBondContact O-N 3.12Å; S158-L160 PolarHBondContact OG-N 2.98Å; L160-V163 PolarHBondContact O-N 2.86Å; L160-L164 WeakPolarHBondContact O-CB 3.36Å; L160-L164 PolarHBondContact O-N 3.23Å; L160-F380 HydrophobicContact CB-CD1 3.67Å; L160-F380 HydrophobicContact CB-CD2 4.18Å; L160-F380 HydrophobicContact CB-CE1 3.61Å; L160-F380 HydrophobicContact CB-CE2 4.12Å; L160-F380 HydrophobicContact CB-CG 3.94Å; L160-F380 HydrophobicContact CB-CZ 3.83Å; L160-F380 HydrophobicContact CD1-CD1 4.03Å; L160-F380 HydrophobicContact CD1-CE1 3.76Å; L160-F380 HydrophobicContact CG-CE1 4.32Å; L160-V399 HydrophobicContact CD1-CB 4.48Å; L160-V399 HydrophobicContact CD1-CG1 3.93Å; L160-V399 HydrophobicContact CD1-CG2 3.9Å
161G96.8Very high95.8Very high0 Ų030.4 Ų30.40%016%0.159CC..Hα-helixtrans-66.5-40.6172.800000112.3S156 S158 I159 L164 T165 S377S156-G161 WeakPolarHBondContact OG-CA 3.41Å; S158-G161 PolarHBondContact O-N 3.35Å; I159-G161 VanDerWaalsContact C-N 3.26Å; I159-G161 PolarHBondContact O-N 2.96Å; G161-L164 PolarHBondContact O-N 3.19Å; G161-T165 PolarHBondContact O-N 2.94Å; G161-T165 PolarHBondContact O-OG1 3.21Å; G161-S377 WeakPolarHBondContact O-CB 3.43Å
162G96.9Very high95.6Very high0 Ų030.5 Ų30.50%016%0.16CC..Hα-helixtrans-62.1-43.2171.400000112.9F149 S158 I159 T165 A166F149-G162 VanDerWaalsContact CD2-O 3.3Å; F149-G162 WeakPolarHBondContact CD2-O 3.43Å; F149-G162 WeakPolarHBondContact O-CA 3.32Å; S158-G162 PolarHBondContact O-N 2.88Å; I159-G162 PolarHBondContact O-N 3.45Å; I159-G162 VanDerWaalsContact O-N 3.12Å; G162-T165 PolarHBondContact O-N 2.92Å; G162-A166 PolarHBondContact O-N 3.21Å; G162-A166 VanDerWaalsContact O-N 3.08Å
163V95.9Very high95.4Very high48 Ų4830.5 Ų30.529%0.29116%0.16SC..Hα-helixtrans-60.2-48.7175.5176.40000110.6F149 I159 L160 T165 A166 V167F149-V163 HydrophobicContact CE2-CG2 3.87Å; I159-V163 HydrophobicContact CG2-CG2 4.48Å; I159-V163 WeakPolarHBondContact O-CG2 3.19Å; I159-V163 PolarHBondContact O-N 3.21Å; L160-V163 PolarHBondContact O-N 2.86Å; V163-T165 VanDerWaalsContact C-N 3.34Å; V163-T165 PolarHBondContact O-N 3.13Å; V163-A166 PolarHBondContact O-N 2.95Å; V163-V167 HydrophobicContact CG1-CG2 4.13Å; V163-V167 WeakPolarHBondContact O-CB 3.15Å; V163-V167 VanDerWaalsContact O-CG2 3.3Å; V163-V167 WeakPolarHBondContact O-CG2 3.49Å; V163-V167 PolarHBondContact O-N 3.3Å
164L96.8Very high95.1Very high5 Ų526.1 Ų26.13%0.02615%0.147CC..Hα-helixtrans-58.1-46.1178.7179.666.6000111.1L160 G161 A166 V167 C168 C376 V379 F380 L405 A406 M409L160-L164 WeakPolarHBondContact O-CB 3.36Å; L160-L164 PolarHBondContact O-N 3.23Å; G161-L164 PolarHBondContact O-N 3.19Å; L164-A166 VanDerWaalsContact C-N 3.35Å; L164-A166 PolarHBondContact O-N 3.12Å; L164-V167 PolarHBondContact O-N 3.29Å; L164-C168 WeakPolarHBondContact O-CB 3.48Å; L164-C168 PolarHBondContact O-N 3.5Å; L164-C168 PolarHBondContact O-SG 2.92Å; L164-C376 HydrophobicContact CD2-CB 4.4Å; L164-C376 WeakPolarHBondContact CD2-O 3.38Å; L164-V379 HydrophobicContact CD2-CG2 3.73Å; L164-F380 HydrophobicContact CB-CD2 4.43Å; L164-F380 HydrophobicContact CB-CE2 3.85Å; L164-F380 HydrophobicContact CD2-CD2 4.19Å; L164-F380 HydrophobicContact CD2-CE2 3.78Å; L164-F380 HydrophobicContact CG-CE2 4.35Å; L164-L405 HydrophobicContact CD2-CD2 4.49Å; L164-A406 HydrophobicContact CD1-CB 3.88Å; L164-M409 HydrophobicContact CD1-SD 4.48Å
165T97.4Very high95Very high0 Ų024.9 Ų24.90%014%0.14CC..Hα-helixtrans-58.1-45.5177.1-64.10000112.2L148 G161 G162 V163 F169 C373 I374L148-T165 HydrophobicContact CB-CG2 4.06Å; L148-T165 WeakPolarHBondContact O-CG2 3.49Å; G161-T165 PolarHBondContact O-N 2.94Å; G161-T165 PolarHBondContact O-OG1 3.21Å; G162-T165 PolarHBondContact O-N 2.92Å; V163-T165 VanDerWaalsContact C-N 3.34Å; V163-T165 PolarHBondContact O-N 3.13Å; T165-F169 WeakPolarHBondContact O-CB 3.4Å; T165-F169 PolarHBondContact O-N 3.32Å; T165-C373 WeakPolarHBondContact CB-O 3.38Å; T165-C373 HydrophobicContact CG2-CB 4.03Å; T165-C373 PolarHBondContact OG1-O 3.33Å; T165-I374 HydrophobicContact CG2-CG1 3.98Å
166A95.7Very high94.9Very high11 Ų1124.8 Ų24.89%0.09114%0.14CC..Hα-helixtrans-65-39.9178.100000112.4Y4 F149 G162 V163 L164 F169 L170Y4-A166 HydrophobicContact CD1-CB 4.44Å; Y4-A166 HydrophobicContact CE1-CB 4.17Å; F149-A166 HydrophobicContact CB-CB 4.45Å; G162-A166 PolarHBondContact O-N 3.21Å; G162-A166 VanDerWaalsContact O-N 3.08Å; V163-A166 PolarHBondContact O-N 2.95Å; L164-A166 VanDerWaalsContact C-N 3.35Å; L164-A166 PolarHBondContact O-N 3.12Å; A166-F169 PolarHBondContact O-N 3.41Å; A166-L170 PolarHBondContact O-N 3.02Å
167V94.3Very high94.9Very high44 Ų4425.2 Ų25.227%0.26714%0.142SC..Hα-helixtrans-67.3-46177.4168.90000111.2V163 L164 F169 L170 F171V163-V167 HydrophobicContact CG1-CG2 4.13Å; V163-V167 WeakPolarHBondContact O-CB 3.15Å; V163-V167 VanDerWaalsContact O-CG2 3.3Å; V163-V167 WeakPolarHBondContact O-CG2 3.49Å; V163-V167 PolarHBondContact O-N 3.3Å; L164-V167 PolarHBondContact O-N 3.29Å; V167-F169 VanDerWaalsContact C-N 3.28Å; V167-F169 PolarHBondContact O-N 3Å; V167-L170 WeakPolarHBondContact O-CB 3.4Å; V167-L170 PolarHBondContact O-N 2.76Å; V167-L170 VanDerWaalsContact O-N 3.12Å; V167-F171 HydrophobicContact CG1-CD2 3.66Å; V167-F171 HydrophobicContact CG1-CE1 4.16Å; V167-F171 HydrophobicContact CG1-CE2 3.14Å; V167-F171 HydrophobicContact CG1-CG 4.35Å; V167-F171 HydrophobicContact CG1-CZ 3.44Å; V167-F171 VanDerWaalsContact CG1-CZ 3.44Å; V167-F171 WeakPolarHBondContact O-CG 3.4Å; V167-F171 PolarHBondContact O-N 2.95Å
168C96Very high94.8Very high0 Ų022.3 Ų22.30%012%0.123CC..Hα-helixtrans-59-40.2174.9-66.60000111.7L164 F171 N172 L307 C373 M409L164-C168 WeakPolarHBondContact O-CB 3.48Å; L164-C168 PolarHBondContact O-N 3.5Å; L164-C168 PolarHBondContact O-SG 2.92Å; C168-F171 PolarHBondContact O-N 2.76Å; C168-N172 WeakPolarHBondContact O-CB 3.43Å; C168-N172 PolarHBondContact O-N 3.33Å; C168-N172 PolarHBondContact O-ND2 3.14Å; C168-L307 HydrophobicContact CB-CD1 4.29Å; C168-C373 HydrophobicContact CB-CB 3.87Å; C168-C373 VanDerWaalsContact CB-SG 3.55Å; C168-M409 HydrophobicContact CB-CE 4.3Å; C168-M409 WeakPolarHBondContact SG-CE 3.34Å
169F95.9Very high94.7Very high1 Ų121.4 Ų21.40%0.00412%0.117CC..Hα-helixtrans-65.9-37.2175.4177.3-107.4000112.7R8 L144 A145 L148 T165 A166 V167 H173 A176 T177 P370R8-F169 VanDerWaalsContact NH1-CE1 3.27Å; L144-F169 HydrophobicContact CD2-CE2 4.47Å; L144-F169 HydrophobicContact CD2-CZ 3.92Å; L144-F169 HydrophobicContact CG-CZ 4.43Å; A145-F169 HydrophobicContact CB-CD1 4.33Å; A145-F169 HydrophobicContact CB-CE1 4.2Å; L148-F169 HydrophobicContact CD1-CB 4.11Å; L148-F169 HydrophobicContact CD1-CD1 3.93Å; L148-F169 HydrophobicContact CD1-CD2 3.51Å; L148-F169 HydrophobicContact CD1-CE1 4.2Å; L148-F169 HydrophobicContact CD1-CE2 3.82Å; L148-F169 HydrophobicContact CD1-CG 3.58Å; L148-F169 HydrophobicContact CD1-CZ 4.16Å; T165-F169 WeakPolarHBondContact O-CB 3.4Å; T165-F169 PolarHBondContact O-N 3.32Å; A166-F169 PolarHBondContact O-N 3.41Å; V167-F169 VanDerWaalsContact C-N 3.28Å; V167-F169 PolarHBondContact O-N 3Å; F169-H173 VanDerWaalsContact O-CA 3.31Å; F169-H173 WeakPolarHBondContact O-CA 3.25Å; F169-H173 PolarHBondContact O-N 3.39Å; F169-H173 VanDerWaalsContact O-N 3.13Å; F169-A176 HydrophobicContact CD2-CB 3.52Å; F169-A176 HydrophobicContact CE2-CB 3.48Å; F169-A176 VanDerWaalsContact CE2-CB 3.48Å; F169-T177 HydrophobicContact CE2-CG2 4.42Å; F169-T177 HydrophobicContact CZ-CG2 3.93Å; F169-P370 HydrophobicContact CD2-CG 4.36Å; F169-P370 HydrophobicContact CE2-CG 4.26Å
170L94.6Very high94.5Very high56 Ų5616.1 Ų16.129%0.2939%0.09SC..Hα-helixtrans-66.3-48.4174.1179.964.9000111.6Y11 A166 V167 N172 H173 V417Y11-L170 HydrophobicContact CD1-CD1 3.8Å; Y11-L170 HydrophobicContact CE1-CD1 3.47Å; Y11-L170 VanDerWaalsContact CE1-CD1 3.47Å; Y11-L170 HydrophobicContact CE2-CD1 4.43Å; Y11-L170 HydrophobicContact CG-CD1 4.38Å; A166-L170 PolarHBondContact O-N 3.02Å; V167-L170 WeakPolarHBondContact O-CB 3.4Å; V167-L170 PolarHBondContact O-N 2.76Å; V167-L170 VanDerWaalsContact O-N 3.12Å; L170-N172 VanDerWaalsContact C-N 3.25Å; L170-N172 PolarHBondContact O-N 2.82Å; L170-H173 WeakPolarHBondContact O-CB 3.45Å; L170-H173 PolarHBondContact O-N 3.02Å; L170-H173 PolarHBondContact O-ND1 3.28Å; L170-V417 HydrophobicContact CG-CG2 4.24Å
171F94.2Very high94.1Very high20 Ų2017 Ų179%0.0889%0.089CC..Hα-helixtrans-63.4-30.7-179.5-68-19.1000113.3V167 C168 M409 S410 G413 V414 H416 V417V167-F171 HydrophobicContact CG1-CD2 3.66Å; V167-F171 HydrophobicContact CG1-CE1 4.16Å; V167-F171 HydrophobicContact CG1-CE2 3.14Å; V167-F171 HydrophobicContact CG1-CG 4.35Å; V167-F171 HydrophobicContact CG1-CZ 3.44Å; V167-F171 VanDerWaalsContact CG1-CZ 3.44Å; V167-F171 WeakPolarHBondContact O-CG 3.4Å; V167-F171 PolarHBondContact O-N 2.95Å; C168-F171 PolarHBondContact O-N 2.76Å; F171-M409 HydrophobicContact CD2-CB 4.49Å; F171-S410 VanDerWaalsContact CE2-CA 3.41Å; F171-G413 VanDerWaalsContact CD1-C 3.5Å; F171-G413 VanDerWaalsContact CG-CA 3.43Å; F171-V414 HydrophobicContact CE1-CG2 4Å; F171-V414 HydrophobicContact CZ-CG2 4.18Å; F171-H416 PolarHBondContact O-ND1 3.44Å; F171-V417 HydrophobicContact CD1-CG2 4.2Å
172N94.7Very high93.9Very high2 Ų217.5 Ų17.51%0.0119%0.093CC..THydrogen-bonded Turntrans-109.926.1-179.7-62.6-87.8000112.4C168 L170 G174 Q175 A176 S305 L307 T369C168-N172 WeakPolarHBondContact O-CB 3.43Å; C168-N172 PolarHBondContact O-N 3.33Å; C168-N172 PolarHBondContact O-ND2 3.14Å; L170-N172 VanDerWaalsContact C-N 3.25Å; L170-N172 PolarHBondContact O-N 2.82Å; N172-G174 VanDerWaalsContact C-N 3.3Å; N172-G174 PolarHBondContact O-N 3.26Å; N172-Q175 PolarHBondContact O-N 3.26Å; N172-A176 WeakPolarHBondContact O-CB 3.3Å; N172-A176 PolarHBondContact O-N 3.23Å; N172-A176 VanDerWaalsContact O-N 3.1Å; N172-S305 WeakPolarHBondContact OD1-CB 3.32Å; N172-S305 PolarHBondContact OD1-OG 3.29Å; N172-L307 HydrophobicContact CB-CD2 4.01Å; N172-T369 HydrophobicContact CB-CG2 4.16Å
173H93.3Very high93.7Very high0 Ų017.5 Ų17.50%09%0.093CC..Hα-helixtrans-58.6-38.4-170.869.2-88.7000113Y11 F169 L170 Q175 A176 T177 M180Y11-H173 PolarHBondContact OH-CE1 3.2Å; Y11-H173 PolarHBondContact OH-ND1 3.36Å; F169-H173 VanDerWaalsContact O-CA 3.31Å; F169-H173 WeakPolarHBondContact O-CA 3.25Å; F169-H173 PolarHBondContact O-N 3.39Å; F169-H173 VanDerWaalsContact O-N 3.13Å; L170-H173 WeakPolarHBondContact O-CB 3.45Å; L170-H173 PolarHBondContact O-N 3.02Å; L170-H173 PolarHBondContact O-ND1 3.28Å; H173-Q175 PolarHBondContact O-N 2.93Å; H173-Q175 VanDerWaalsContact O-N 3.14Å; H173-A176 PolarHBondContact O-N 3.45Å; H173-T177 HydrophobicContact CB-CG2 4.45Å; H173-T177 PolarHBondContact O-N 3.07Å; H173-M180 WeakPolarHBondContact NE2-CE 3.49Å
174G89.9Confident93.6Very high15 Ų1515.2 Ų15.216%0.1558%0.079CC..Hα-helixtrans-62.1-20177.400000114.8N172N172-G174 VanDerWaalsContact C-N 3.3Å; N172-G174 PolarHBondContact O-N 3.26Å
175Q92.3Very high93.4Very high10 Ų1015.4 Ų15.45%0.0478%0.08CC..Hα-helixtrans-100.9-12175.2-54.7-59.1-16.300112.9N172 H173 D298 E301 M302 T369N172-Q175 PolarHBondContact O-N 3.26Å; H173-Q175 PolarHBondContact O-N 2.93Å; H173-Q175 VanDerWaalsContact O-N 3.14Å; Q175-D298 PolarHBondContact NE2-OD1 2.96Å; Q175-D298 PolarHBondContact OE1-OD1 3.22Å; Q175-D298 VanDerWaalsContact OE1-OD1 3.04Å; Q175-E301 PolarHBondContact NE2-OE2 3.49Å; Q175-M302 HydrophobicContact CB-CG 4.36Å; Q175-M302 HydrophobicContact CB-SD 4.43Å; Q175-M302 HydrophobicContact CG-CG 4.26Å; Q175-T369 HydrophobicContact CB-CG2 4.17Å; Q175-T369 WeakPolarHBondContact O-CB 2.95Å; Q175-T369 PolarHBondContact O-OG1 3.37Å
176A94Very high93.1Very high1 Ų117.5 Ų17.51%0.0089%0.088CC..Hα-helixtrans-111.2-22.5-172.300000113.7F169 N172 H173 T369 P370F169-A176 HydrophobicContact CD2-CB 3.52Å; F169-A176 HydrophobicContact CE2-CB 3.48Å; F169-A176 VanDerWaalsContact CE2-CB 3.48Å; N172-A176 WeakPolarHBondContact O-CB 3.3Å; N172-A176 PolarHBondContact O-N 3.23Å; N172-A176 VanDerWaalsContact O-N 3.1Å; H173-A176 PolarHBondContact O-N 3.45Å; A176-T369 HydrophobicContact CB-CG2 3.77Å; A176-P370 HydrophobicContact CB-CG 4.2Å
177T93.7Very high92.8Very high11 Ų1119 Ų197%0.0679%0.093CC..  trans-155.6155.4175.6-1790000110.8F169 H173 T179F169-T177 HydrophobicContact CE2-CG2 4.42Å; F169-T177 HydrophobicContact CZ-CG2 3.93Å; H173-T177 HydrophobicContact CB-CG2 4.45Å; H173-T177 PolarHBondContact O-N 3.07Å; T177-T179 PolarHBondContact OG1-N 3.03Å; T177-T179 VanDerWaalsContact OG1-N 3.13Å; T177-T179 PolarHBondContact OG1-OG1 3.39Å
178R91.8Very high92.8Very high45 Ų4517.3 Ų17.317%0.178%0.083CC..  trans-124.621.2169.660175.9179.8167.61.6113M180 W181 A182 E187 L366R178-M180 PolarHBondContact O-N 3.42Å; R178-M180 VanDerWaalsContact O-N 3.12Å; R178-W181 HydrophobicContact CB-CE3 3.62Å; R178-W181 HydrophobicContact CB-CZ3 4.17Å; R178-W181 PolarHBondContact O-N 3.25Å; R178-A182 PolarHBondContact O-N 3.38Å; R178-E187 IonicContact CZ-OE1 2.76Å; R178-E187 IonicContact NE-OE1 3.5Å; R178-E187 PolarHBondContact NE-OE1 3.02Å; R178-E187 IonicContact NH2-OE1 2.61Å; R178-E187 PolarHBondContact NH2-OE1 3.47Å; R178-E187 IonicContact NH2-OE2 3.39Å; R178-E187 PolarHBondContact NH2-OE2 2.87Å; R178-L366 HydrophobicContact CG-CD1 4.34Å
179T92.3Very high92.7Very high5 Ų518 Ų183%0.0319%0.086CC..THydrogen-bonded Turntrans-55.5-30.7-179-54.80000112.8L12 V137 F138 T177 C188L12-T179 HydrophobicContact CD1-CG2 4.2Å; V137-T179 HydrophobicContact CG1-CG2 3.61Å; F138-T179 HydrophobicContact CD1-CG2 4Å; F138-T179 HydrophobicContact CE1-CG2 4.29Å; T177-T179 PolarHBondContact OG1-N 3.03Å; T177-T179 VanDerWaalsContact OG1-N 3.13Å; T177-T179 PolarHBondContact OG1-OG1 3.39Å; T179-C188 HydrophobicContact CG2-CB 4.5Å; T179-C188 PolarHBondContact OG1-SG 3.16Å; T179-C188 VanDerWaalsContact OG1-SG 3.4Å
180M91.2Very high92.6Very high2 Ų219.7 Ų19.71%0.0110%0.104CC..THydrogen-bonded Turntrans-67.9-36.7174.167.6-134.6-123.200112.4L12 L15 F16 H173 R178L12-M180 HydrophobicContact CD2-CB 4.3Å; L15-M180 HydrophobicContact CB-CB 3.97Å; L15-M180 HydrophobicContact CB-CE 4.32Å; L15-M180 HydrophobicContact CB-CG 4.45Å; L15-M180 HydrophobicContact CB-SD 4.38Å; L15-M180 HydrophobicContact CD1-CE 3.85Å; L15-M180 HydrophobicContact CD1-SD 3.72Å; L15-M180 HydrophobicContact CD2-CE 4.28Å; L15-M180 HydrophobicContact CG-CE 4.39Å; F16-M180 WeakPolarHBondContact CD2-O 3.35Å; H173-M180 WeakPolarHBondContact NE2-CE 3.49Å; R178-M180 PolarHBondContact O-N 3.42Å; R178-M180 VanDerWaalsContact O-N 3.12Å
181W89.3Confident92.5Very high80 Ų8017.8 Ų17.830%0.3039%0.093SC..THydrogen-bonded Turntrans-92-26.6-177.4-58.2-65.1000113.4D19 R20 R178D19-W181 PolarHBondContact OD1-NE1 2.8Å; R20-W181 PolarHBondContact NH2-O 3.22Å; R178-W181 HydrophobicContact CB-CE3 3.62Å; R178-W181 HydrophobicContact CB-CZ3 4.17Å; R178-W181 PolarHBondContact O-N 3.25Å
182A92Very high92.5Very high12 Ų1217 Ų1710%0.0999%0.091CC..  trans-145.269-172.400000112T38 R178 S184 L185T38-A182 HydrophobicContact CG2-CB 3.82Å; R178-A182 PolarHBondContact O-N 3.38Å; A182-S184 PolarHBondContact O-N 2.96Å; A182-L185 HydrophobicContact CB-CD1 3.41Å; A182-L185 VanDerWaalsContact CB-CD1 3.41Å; A182-L185 HydrophobicContact CB-CG 3.85Å; A182-L185 PolarHBondContact O-N 3.12Å
183P93.1Very high92.4Very high0 Ų022 Ų220%012%0.116CC..THydrogen-bonded Turntrans-67.1-34.3-170.424.5-34000114.4F16 F34 V134 V137 F138 L185 C188F16-P183 HydrophobicContact CE2-CG 4.44Å; F34-P183 HydrophobicContact CE1-CG 4.07Å; V134-P183 HydrophobicContact CG1-CB 4.47Å; V134-P183 HydrophobicContact CG1-CG 4.4Å; V134-P183 HydrophobicContact CG2-CG 4.17Å; V137-P183 HydrophobicContact CB-CB 4.09Å; V137-P183 HydrophobicContact CG1-CB 3.91Å; V137-P183 WeakPolarHBondContact CG1-O 3.25Å; V137-P183 HydrophobicContact CG2-CB 4.24Å; F138-P183 HydrophobicContact CE1-CB 4.46Å; P183-L185 PolarHBondContact O-N 3.16Å; P183-C188 WeakPolarHBondContact O-CB 3.46Å
184S92.5Very high92.4Very high0 Ų026.1 Ų26.10%013%0.134CC..THydrogen-bonded Turntrans-75.4-4-177.426.50000115T38 Y41 Y133 A182T38-S184 VanDerWaalsContact C-OG 3.29Å; T38-S184 WeakPolarHBondContact CA-OG 3.47Å; T38-S184 WeakPolarHBondContact CB-OG 3.27Å; T38-S184 WeakPolarHBondContact O-CB 3.04Å; T38-S184 PolarHBondContact O-OG 3.21Å; Y41-S184 VanDerWaalsContact CD2-O 3.25Å; Y41-S184 WeakPolarHBondContact CD2-O 3.45Å; Y133-S184 WeakPolarHBondContact OH-CB 3.43Å; A182-S184 PolarHBondContact O-N 2.96Å
185L93.1Very high92.7Very high8 Ų825.4 Ų25.44%0.04213%0.127CC..SBendtrans-68.2145.1-178.5-65.6179.3000112.3E37 T38 A182 P183 E187 C188E37-L185 HydrophobicContact CB-CD2 3.89Å; E37-L185 HydrophobicContact CG-CD2 3.98Å; E37-L185 WeakPolarHBondContact OE2-CD2 3.35Å; T38-L185 HydrophobicContact CG2-CD2 3.78Å; T38-L185 HydrophobicContact CG2-CG 3.76Å; A182-L185 HydrophobicContact CB-CD1 3.41Å; A182-L185 VanDerWaalsContact CB-CD1 3.41Å; A182-L185 HydrophobicContact CB-CG 3.85Å; A182-L185 PolarHBondContact O-N 3.12Å; P183-L185 PolarHBondContact O-N 3.16Å; L185-E187 HydrophobicContact CB-CG 4Å; L185-E187 PolarHBondContact O-N 3.23Å; L185-E187 VanDerWaalsContact O-N 3.15Å; L185-C188 WeakPolarHBondContact O-CB 3.37Å; L185-C188 PolarHBondContact O-N 3.33Å
186R91.4Very high92.8Very high44 Ų4428.8 Ų28.817%0.16614%0.144CC..Hα-helixtrans-58.2-31.5-176.5-70.7-66.7177.3-140.87.8114.1Y41 F79 N80 L81 E84 C188 F189 G190Y41-R186 VanDerWaalsContact CD1-NH2 3.32Å; Y41-R186 HydrophobicContact CE1-CG 4.35Å; Y41-R186 HydrophobicContact CE2-CG 3.71Å; Y41-R186 WeakPolarHBondContact OH-CG 3.36Å; F79-R186 PolarHBondContact O-NE 2.89Å; F79-R186 PolarHBondContact O-NH2 3.41Å; N80-R186 PolarHBondContact O-NH2 2.9Å; L81-R186 VanDerWaalsContact CD2-NH2 3.3Å; E84-R186 VanDerWaalsContact CD-NH1 3.26Å; E84-R186 IonicContact OE1-CZ 3.94Å; E84-R186 IonicContact OE1-NH1 3.02Å; E84-R186 PolarHBondContact OE1-NH1 3.21Å; E84-R186 IonicContact OE2-CZ 3.22Å; E84-R186 VanDerWaalsContact OE2-CZ 3.22Å; E84-R186 IonicContact OE2-NH1 2.73Å; E84-R186 PolarHBondContact OE2-NH1 3.02Å; E84-R186 IonicContact OE2-NH2 2.79Å; E84-R186 PolarHBondContact OE2-NH2 3.31Å; R186-C188 VanDerWaalsContact C-N 3.27Å; R186-C188 PolarHBondContact O-N 3.23Å; R186-F189 PolarHBondContact O-N 2.81Å; R186-G190 PolarHBondContact O-N 3.4Å
187E90Very high92.8Very high42 Ų4234.1 Ų34.120%0.19617%0.172CC..Hα-helixtrans-60.4-32.7173.563-132.9-129.400113.6R178 L185 F189 Y191 L366R178-E187 IonicContact CZ-OE1 2.76Å; R178-E187 IonicContact NE-OE1 3.5Å; R178-E187 PolarHBondContact NE-OE1 3.02Å; R178-E187 IonicContact NH2-OE1 2.61Å; R178-E187 PolarHBondContact NH2-OE1 3.47Å; R178-E187 IonicContact NH2-OE2 3.39Å; R178-E187 PolarHBondContact NH2-OE2 2.87Å; L185-E187 HydrophobicContact CB-CG 4Å; L185-E187 PolarHBondContact O-N 3.23Å; L185-E187 VanDerWaalsContact O-N 3.15Å; E187-F189 VanDerWaalsContact C-N 3.29Å; E187-F189 PolarHBondContact O-N 3.07Å; E187-Y191 WeakPolarHBondContact O-CB 3.48Å; E187-Y191 PolarHBondContact O-N 3.46Å; E187-L366 WeakPolarHBondContact OE1-CD1 3.02Å
188C93.9Very high92.7Very high9 Ų933.9 Ų33.96%0.06117%0.171CC..Hα-helixtrans-70-28.9178.9-64.50000112V137 T179 P183 L185 R186V137-C188 HydrophobicContact CG1-CB 3.68Å; T179-C188 HydrophobicContact CG2-CB 4.5Å; T179-C188 PolarHBondContact OG1-SG 3.16Å; T179-C188 VanDerWaalsContact OG1-SG 3.4Å; P183-C188 WeakPolarHBondContact O-CB 3.46Å; L185-C188 WeakPolarHBondContact O-CB 3.37Å; L185-C188 PolarHBondContact O-N 3.33Å; R186-C188 VanDerWaalsContact C-N 3.27Å; R186-C188 PolarHBondContact O-N 3.23Å
189F94.1Very high92.8Very high15 Ų1532.6 Ų32.67%0.06617%0.167CC..Hα-helixtrans-88.6-44.1176.7-65.2-84.8000112.9P83 Y133 V137 L140 R186 E187P83-F189 HydrophobicContact CB-CB 4.31Å; P83-F189 HydrophobicContact CB-CD1 3.5Å; P83-F189 VanDerWaalsContact CB-CD1 3.5Å; P83-F189 HydrophobicContact CB-CD2 4.36Å; P83-F189 HydrophobicContact CB-CE1 3.75Å; P83-F189 HydrophobicContact CB-CG 3.82Å; P83-F189 HydrophobicContact CB-CZ 4.28Å; P83-F189 HydrophobicContact CG-CB 4.18Å; P83-F189 HydrophobicContact CG-CD1 4.28Å; P83-F189 HydrophobicContact CG-CG 4.19Å; Y133-F189 HydrophobicContact CE2-CZ 4.33Å; Y133-F189 AromaticContact CZ-CZ 3.92Å; Y133-F189 WeakPolarHBondContact OH-CZ 3.31Å; V137-F189 HydrophobicContact CG2-CE1 3.99Å; V137-F189 HydrophobicContact CG2-CE2 4.16Å; V137-F189 HydrophobicContact CG2-CZ 3.53Å; L140-F189 HydrophobicContact CD1-CD1 3.49Å; L140-F189 VanDerWaalsContact CD1-CD1 3.49Å; L140-F189 HydrophobicContact CD1-CE1 4.04Å; L140-F189 HydrophobicContact CD1-CG 4.33Å; R186-F189 PolarHBondContact O-N 2.81Å; E187-F189 VanDerWaalsContact C-N 3.29Å; E187-F189 PolarHBondContact O-N 3.07Å
190G92.5Very high92.7Very high37 Ų3735.8 Ų35.838%0.38119%0.186SC..Hα-helixtrans-78.7-31.3-17400000113.7R186 I193 F194R186-G190 PolarHBondContact O-N 3.4Å; G190-I193 PolarHBondContact O-N 3.47Å; G190-F194 PolarHBondContact O-N 3.21Å
191Y93.7Very high92.6Very high16 Ų1638.9 Ų38.96%0.06320%0.202CC..Hα-helixtrans-65.5-41.4-172.2-173.4-142.4000115L144 E187 I193 F194 L195 M198 F367 P370L144-Y191 HydrophobicContact CD1-CD1 3.47Å; L144-Y191 VanDerWaalsContact CD1-CD1 3.47Å; L144-Y191 HydrophobicContact CD1-CE1 3.48Å; L144-Y191 VanDerWaalsContact CD1-CE1 3.48Å; L144-Y191 HydrophobicContact CD1-CG 4.14Å; L144-Y191 HydrophobicContact CD2-CD1 3.57Å; L144-Y191 HydrophobicContact CD2-CE1 3.81Å; L144-Y191 HydrophobicContact CG-CD1 4.17Å; L144-Y191 HydrophobicContact CG-CE1 4.24Å; E187-Y191 WeakPolarHBondContact O-CB 3.48Å; E187-Y191 PolarHBondContact O-N 3.46Å; Y191-I193 VanDerWaalsContact C-N 3.26Å; Y191-I193 PolarHBondContact O-N 2.92Å; Y191-F194 HydrophobicContact CD2-CB 4.43Å; Y191-F194 HydrophobicContact CD2-CD1 4.05Å; Y191-F194 HydrophobicContact CE2-CD1 4.15Å; Y191-F194 PolarHBondContact O-N 2.89Å; Y191-L195 HydrophobicContact CE2-CB 4.46Å; Y191-L195 WeakPolarHBondContact O-CB 3.32Å; Y191-L195 PolarHBondContact O-N 3.14Å; Y191-M198 HydrophobicContact CE2-CE 4.4Å; Y191-F367 AromaticContact CD2-CD1 3.65Å; Y191-F367 HydrophobicContact CD2-CD1 3.65Å; Y191-F367 AromaticContact CD2-CE1 3.48Å; Y191-F367 HydrophobicContact CD2-CE1 3.48Å; Y191-F367 VanDerWaalsContact CD2-CE1 3.48Å; Y191-F367 AromaticContact CE2-CD1 3.46Å; Y191-F367 HydrophobicContact CE2-CD1 3.46Å; Y191-F367 VanDerWaalsContact CE2-CD1 3.46Å; Y191-F367 AromaticContact CE2-CE1 3.83Å; Y191-F367 HydrophobicContact CE2-CE1 3.83Å; Y191-F367 HydrophobicContact CG-CD1 4.48Å; Y191-F367 HydrophobicContact CG-CE1 4.12Å; Y191-P370 HydrophobicContact CE1-CG 4.03Å; Y191-P370 WeakPolarHBondContact OH-CB 3.44Å; Y191-P370 VanDerWaalsContact OH-CG 3.27Å; Y191-P370 WeakPolarHBondContact OH-CG 3.32Å
192P94Very high92.6Very high4 Ų435 Ų353%0.02619%0.188CC..Hα-helixtrans-56.4-40.3173.7-22.730.9000112.9L140 L143 L144 L147 L195 L196L140-P192 HydrophobicContact CB-CG 4.26Å; L143-P192 HydrophobicContact CD2-CB 4.22Å; L143-P192 HydrophobicContact CG-CB 4.41Å; L144-P192 HydrophobicContact CB-CG 4.27Å; L147-P192 HydrophobicContact CD1-CB 4.33Å; L147-P192 WeakPolarHBondContact CD1-O 3.18Å; P192-L195 PolarHBondContact O-N 3.28Å; P192-L196 WeakPolarHBondContact O-CB 3.33Å; P192-L196 PolarHBondContact O-N 3.25Å
193I92.5Very high92.4Very high106 Ų10636.1 Ų36.154%0.54420%0.197SC..Hα-helixtrans-69.1-45.1178.6-57.9173.4000110.1G190 Y191 L195 L196 L197G190-I193 PolarHBondContact O-N 3.47Å; Y191-I193 VanDerWaalsContact C-N 3.26Å; Y191-I193 PolarHBondContact O-N 2.92Å; I193-L195 VanDerWaalsContact C-N 3.31Å; I193-L195 PolarHBondContact O-N 3.07Å; I193-L196 WeakPolarHBondContact O-CB 3.41Å; I193-L196 PolarHBondContact O-N 3.38Å; I193-L197 WeakPolarHBondContact O-CG 3.32Å; I193-L197 PolarHBondContact O-N 2.95Å
194F92.7Very high91.9Very high87 Ų8739.9 Ų39.938%0.38222%0.216SC..Hα-helixtrans-58.9-43.3176-176.6-112.6000111.8G190 Y191 L197 M198 F354 F367G190-F194 PolarHBondContact O-N 3.21Å; Y191-F194 HydrophobicContact CD2-CB 4.43Å; Y191-F194 HydrophobicContact CD2-CD1 4.05Å; Y191-F194 HydrophobicContact CE2-CD1 4.15Å; Y191-F194 PolarHBondContact O-N 2.89Å; F194-L197 PolarHBondContact O-N 3.45Å; F194-M198 HydrophobicContact CD1-CE 3.28Å; F194-M198 HydrophobicContact CD1-SD 4.03Å; F194-M198 HydrophobicContact CE1-CE 3.29Å; F194-M198 HydrophobicContact CE1-CG 4.42Å; F194-M198 HydrophobicContact CE1-SD 3.46Å; F194-M198 WeakPolarHBondContact CE1-SD 3.42Å; F194-M198 HydrophobicContact CG-CE 4.14Å; F194-M198 HydrophobicContact CZ-CE 4.15Å; F194-M198 HydrophobicContact CZ-CG 4.4Å; F194-M198 HydrophobicContact CZ-SD 3.77Å; F194-M198 WeakPolarHBondContact O-CG 3.47Å; F194-M198 PolarHBondContact O-N 2.99Å; F194-F354 HydrophobicContact CE1-CE1 4.4Å; F194-F354 AromaticContact CE1-CZ 3.88Å; F194-F354 HydrophobicContact CE1-CZ 3.88Å; F194-F354 HydrophobicContact CZ-CZ 4.16Å; F194-F367 HydrophobicContact CD1-CD1 4.31Å; F194-F367 HydrophobicContact CD1-CE1 4.24Å; F194-F367 HydrophobicContact CE1-CD1 4.31Å
195L95.6Very high91.5Very high0 Ų041.3 Ų41.30%023%0.225CC..Hα-helixtrans-65.6-39.5175.8-173.866.2000112.4L144 L147 L148 F151 Y191 P192 I193 L197 M198 L199 I374L144-L195 HydrophobicContact CD1-CB 4.38Å; L144-L195 HydrophobicContact CD1-CD2 3.58Å; L147-L195 HydrophobicContact CB-CD2 3.67Å; L147-L195 HydrophobicContact CB-CG 4.23Å; L148-L195 HydrophobicContact CB-CD2 4.45Å; L148-L195 HydrophobicContact CD2-CD1 4.12Å; L148-L195 HydrophobicContact CD2-CD2 3.52Å; L148-L195 HydrophobicContact CD2-CG 4.49Å; L148-L195 HydrophobicContact CG-CD2 3.59Å; F151-L195 HydrophobicContact CD1-CD1 3.67Å; F151-L195 HydrophobicContact CD1-CG 4.4Å; F151-L195 HydrophobicContact CE1-CD1 3.99Å; Y191-L195 HydrophobicContact CE2-CB 4.46Å; Y191-L195 WeakPolarHBondContact O-CB 3.32Å; Y191-L195 PolarHBondContact O-N 3.14Å; P192-L195 PolarHBondContact O-N 3.28Å; I193-L195 VanDerWaalsContact C-N 3.31Å; I193-L195 PolarHBondContact O-N 3.07Å; L195-L197 VanDerWaalsContact C-N 3.34Å; L195-L197 PolarHBondContact O-N 3.48Å; L195-M198 HydrophobicContact CB-CE 4.32Å; L195-M198 HydrophobicContact CD1-CE 3.85Å; L195-M198 PolarHBondContact O-N 2.78Å; L195-L199 WeakPolarHBondContact O-CB 3.13Å; L195-L199 PolarHBondContact O-N 3.35Å; L195-I374 HydrophobicContact CD1-CD1 4.18Å
196L95.1Very high91Very high80 Ų8044 Ų4442%0.41924%0.236SC..Hα-helixtrans-60.1-44.3174.5177.162.7000111.4L147 P192 I193 L199 V200L147-L196 HydrophobicContact CD1-CB 4.11Å; L147-L196 HydrophobicContact CD2-CB 4.41Å; L147-L196 HydrophobicContact CD2-CD1 3.89Å; P192-L196 WeakPolarHBondContact O-CB 3.33Å; P192-L196 PolarHBondContact O-N 3.25Å; I193-L196 WeakPolarHBondContact O-CB 3.41Å; I193-L196 PolarHBondContact O-N 3.38Å; L196-L199 WeakPolarHBondContact O-CB 3.49Å; L196-L199 PolarHBondContact O-N 3.04Å; L196-V200 HydrophobicContact CD1-CG2 4.26Å; L196-V200 WeakPolarHBondContact O-CG2 3.48Å; L196-V200 PolarHBondContact O-N 3.36Å
197L93.8Very high90.5Very high113 Ų11344.8 Ų44.859%0.59225%0.252SS*.Hα-helixtrans-62.7-43.2176.3-68.5173.2000111.7I193 F194 L195 L199 V200 L201I193-L197 WeakPolarHBondContact O-CG 3.32Å; I193-L197 PolarHBondContact O-N 2.95Å; F194-L197 PolarHBondContact O-N 3.45Å; L195-L197 VanDerWaalsContact C-N 3.34Å; L195-L197 PolarHBondContact O-N 3.48Å; L197-L199 VanDerWaalsContact C-N 3.33Å; L197-L199 PolarHBondContact O-N 3.38Å; L197-V200 PolarHBondContact O-N 3.18Å; L197-L201 WeakPolarHBondContact O-CB 3.46Å; L197-L201 PolarHBondContact O-N 3.47Å
198M92.6Very high89.5Confident7 Ų746.6 Ų46.63%0.03426%0.263CS..Hα-helixtrans-63.2-39.3175.2-69.8-173.2-67.800112.2F151 Y191 F194 L195 T202 F354F151-M198 HydrophobicContact CE1-CB 3.87Å; F151-M198 HydrophobicContact CZ-CB 4.47Å; Y191-M198 HydrophobicContact CE2-CE 4.4Å; F194-M198 HydrophobicContact CD1-CE 3.28Å; F194-M198 HydrophobicContact CD1-SD 4.03Å; F194-M198 HydrophobicContact CE1-CE 3.29Å; F194-M198 HydrophobicContact CE1-CG 4.42Å; F194-M198 HydrophobicContact CE1-SD 3.46Å; F194-M198 WeakPolarHBondContact CE1-SD 3.42Å; F194-M198 HydrophobicContact CG-CE 4.14Å; F194-M198 HydrophobicContact CZ-CE 4.15Å; F194-M198 HydrophobicContact CZ-CG 4.4Å; F194-M198 HydrophobicContact CZ-SD 3.77Å; F194-M198 WeakPolarHBondContact O-CG 3.47Å; F194-M198 PolarHBondContact O-N 2.99Å; L195-M198 HydrophobicContact CB-CE 4.32Å; L195-M198 HydrophobicContact CD1-CE 3.85Å; L195-M198 PolarHBondContact O-N 2.78Å; M198-T202 WeakPolarHBondContact O-CB 3.34Å; M198-T202 PolarHBondContact O-N 2.97Å; M198-T202 PolarHBondContact O-OG1 3.3Å; M198-F354 HydrophobicContact SD-CE2 4.27Å; M198-F354 HydrophobicContact SD-CZ 4.2Å
199L93.6Very high87.6Confident17 Ų1753 Ų539%0.08929%0.292CS..Hα-helixtrans-63-49.4176.1178.268.4000111.3L147 L150 F151 L154 L195 L196 L197 L201 T202 A203L147-L199 HydrophobicContact CD2-CD2 4.14Å; L150-L199 HydrophobicContact CB-CD2 4.02Å; F151-L199 VanDerWaalsContact CA-CD1 3.45Å; F151-L199 HydrophobicContact CB-CD1 3.78Å; F151-L199 HydrophobicContact CD1-CB 3.98Å; F151-L199 HydrophobicContact CD1-CD1 3.96Å; F151-L199 HydrophobicContact CD2-CD1 4.32Å; F151-L199 HydrophobicContact CE1-CB 4.28Å; F151-L199 HydrophobicContact CG-CD1 3.76Å; L154-L199 HydrophobicContact CB-CD1 4.29Å; L154-L199 HydrophobicContact CD2-CD1 3.66Å; L195-L199 WeakPolarHBondContact O-CB 3.13Å; L195-L199 PolarHBondContact O-N 3.35Å; L196-L199 WeakPolarHBondContact O-CB 3.49Å; L196-L199 PolarHBondContact O-N 3.04Å; L197-L199 VanDerWaalsContact C-N 3.33Å; L197-L199 PolarHBondContact O-N 3.38Å; L199-L201 PolarHBondContact O-N 3.5Å; L199-T202 PolarHBondContact O-N 2.9Å; L199-A203 WeakPolarHBondContact O-CB 3.09Å; L199-A203 PolarHBondContact O-N 3.48Å
200V90.1Very high85.8Confident72 Ų7253.2 Ų53.244%0.43629%0.294SS..Hα-helixtrans-60.8-45.7178.6170.10000110.9L196 L197 T202 A203 I204L196-V200 HydrophobicContact CD1-CG2 4.26Å; L196-V200 WeakPolarHBondContact O-CG2 3.48Å; L196-V200 PolarHBondContact O-N 3.36Å; L197-V200 PolarHBondContact O-N 3.18Å; V200-T202 VanDerWaalsContact C-N 3.33Å; V200-T202 PolarHBondContact O-N 2.83Å; V200-A203 WeakPolarHBondContact O-CB 3.21Å; V200-A203 PolarHBondContact O-N 3.21Å; V200-I204 HydrophobicContact CG1-CD1 3.91Å; V200-I204 WeakPolarHBondContact O-CG1 3.27Å; V200-I204 PolarHBondContact O-N 3.21Å
201L88.3Confident83.8Confident67 Ų6756.6 Ų56.635%0.35131%0.307SS..Hα-helixtrans-63.1-41.3177.6-176.854.8000111.6L197 L199 A203 I204 V205 Y346L197-L201 WeakPolarHBondContact O-CB 3.46Å; L197-L201 PolarHBondContact O-N 3.47Å; L199-L201 PolarHBondContact O-N 3.5Å; L201-A203 VanDerWaalsContact C-N 3.31Å; L201-A203 PolarHBondContact O-N 2.99Å; L201-I204 PolarHBondContact O-N 3.42Å; L201-V205 VanDerWaalsContact O-CG2 3.29Å; L201-V205 WeakPolarHBondContact O-CG2 3.43Å; L201-V205 PolarHBondContact O-N 3.41Å; L201-Y346 HydrophobicContact CD2-CE2 4.4Å; L201-Y346 WeakPolarHBondContact CD2-OH 3.45Å; L201-Y346 HydrophobicContact CG-CE1 4.46Å
202T89.9Confident81.7Confident0 Ų059.8 Ų59.80%033%0.332CS..Hα-helixtrans-63-38.7174.9-56.20000111.5F151 L154 M198 L199 V200 V205 K206 A343F151-T202 HydrophobicContact CE2-CG2 3.9Å; F151-T202 HydrophobicContact CZ-CG2 4.31Å; F151-T202 VanDerWaalsContact CZ-OG1 3.28Å; F151-T202 WeakPolarHBondContact CZ-OG1 3.29Å; L154-T202 HydrophobicContact CD2-CG2 4.09Å; M198-T202 WeakPolarHBondContact O-CB 3.34Å; M198-T202 PolarHBondContact O-N 2.97Å; M198-T202 PolarHBondContact O-OG1 3.3Å; L199-T202 PolarHBondContact O-N 2.9Å; V200-T202 VanDerWaalsContact C-N 3.33Å; V200-T202 PolarHBondContact O-N 2.83Å; T202-V205 PolarHBondContact O-N 2.84Å; T202-K206 VanDerWaalsContact O-CB 3.3Å; T202-K206 WeakPolarHBondContact O-CB 3.46Å; T202-K206 PolarHBondContact O-N 2.8Å; T202-A343 HydrophobicContact CG2-CB 3.87Å
203A88.1Confident79.5Confident35 Ų3565 Ų6529%0.28936%0.355SS..Hα-helixtrans-65.3-42.7176.400000111.8L154 L199 V200 L201 K206 A207L154-A203 HydrophobicContact CD1-CB 4.24Å; L154-A203 HydrophobicContact CD2-CB 3.81Å; L199-A203 WeakPolarHBondContact O-CB 3.09Å; L199-A203 PolarHBondContact O-N 3.48Å; V200-A203 WeakPolarHBondContact O-CB 3.21Å; V200-A203 PolarHBondContact O-N 3.21Å; L201-A203 VanDerWaalsContact C-N 3.31Å; L201-A203 PolarHBondContact O-N 2.99Å; A203-K206 PolarHBondContact O-N 3.12Å; A203-A207 VanDerWaalsContact O-CB 3.31Å; A203-A207 WeakPolarHBondContact O-CB 3.48Å; A203-A207 PolarHBondContact O-N 3.41Å
204I83.1Confident77.5Confident79 Ų7964.3 Ų64.341%0.40535%0.345SS..Hα-helixtrans-61.6-45.8175.4-68.8165.4000110.7V200 L201 K206 A207 N208 V210V200-I204 HydrophobicContact CG1-CD1 3.91Å; V200-I204 WeakPolarHBondContact O-CG1 3.27Å; V200-I204 PolarHBondContact O-N 3.21Å; L201-I204 PolarHBondContact O-N 3.42Å; I204-K206 VanDerWaalsContact C-N 3.34Å; I204-K206 PolarHBondContact O-N 3.14Å; I204-A207 PolarHBondContact O-N 3.49Å; I204-N208 PolarHBondContact O-N 3.25Å; I204-V210 HydrophobicContact CG2-CG2 4.07Å; I204-V210 VanDerWaalsContact O-CG2 3.28Å; I204-V210 WeakPolarHBondContact O-CG2 3.41Å
205V82.4Confident75.4Confident30 Ų3064.6 Ų64.618%0.18235%0.354CS..Hα-helixtrans-60.6-44.6176.1171.50000110.8L201 T202 N208 A342 A343L201-V205 VanDerWaalsContact O-CG2 3.29Å; L201-V205 WeakPolarHBondContact O-CG2 3.43Å; L201-V205 PolarHBondContact O-N 3.41Å; T202-V205 PolarHBondContact O-N 2.84Å; V205-N208 PolarHBondContact O-N 3.4Å; V205-A342 HydrophobicContact CG1-CB 3.74Å; V205-A343 HydrophobicContact CG1-CB 4.39Å
206K83.9Confident73.2Confident65 Ų6569.3 Ų69.328%0.28338%0.383SS..Hα-helixtrans-65.3-44.4179.7-172.1172.6-172.3172.10112.9L154 D157 T202 A203 I204 N208 A343L154-K206 HydrophobicContact CD1-CD 3.98Å; L154-K206 HydrophobicContact CG-CD 4.35Å; L154-K206 WeakPolarHBondContact O-CD 3.45Å; L154-K206 PolarHBondContact O-NZ 3.07Å; D157-K206 IonicContact OD1-NZ 2.59Å; D157-K206 PolarHBondContact OD1-NZ 2.91Å; D157-K206 IonicContact OD2-NZ 2.7Å; D157-K206 PolarHBondContact OD2-NZ 3.45Å; T202-K206 VanDerWaalsContact O-CB 3.3Å; T202-K206 WeakPolarHBondContact O-CB 3.46Å; T202-K206 PolarHBondContact O-N 2.8Å; A203-K206 PolarHBondContact O-N 3.12Å; I204-K206 VanDerWaalsContact C-N 3.34Å; I204-K206 PolarHBondContact O-N 3.14Å; K206-N208 PolarHBondContact O-N 3.18Å; K206-N208 VanDerWaalsContact O-N 3.11Å; K206-A343 HydrophobicContact CB-CB 3.94Å; K206-A343 HydrophobicContact CG-CB 4.44Å
207A79.9Confident71.2Confident59 Ų5969.7 Ų69.749%0.48839%0.385SS..THydrogen-bonded Turntrans-69.7-6.1-178.400000112.8A203 I204 H209A203-A207 VanDerWaalsContact O-CB 3.31Å; A203-A207 WeakPolarHBondContact O-CB 3.48Å; A203-A207 PolarHBondContact O-N 3.41Å; I204-A207 PolarHBondContact O-N 3.49Å; A207-H209 PolarHBondContact O-N 3.42Å
208N69.2Low69.2Low80 Ų8067.4 Ų67.443%0.42838%0.375SS..THydrogen-bonded Turntrans54.418.4-179.5-168.337.8000113.3I204 V205 K206 V210 R214I204-N208 PolarHBondContact O-N 3.25Å; V205-N208 PolarHBondContact O-N 3.4Å; K206-N208 PolarHBondContact O-N 3.18Å; K206-N208 VanDerWaalsContact O-N 3.11Å; N208-V210 PolarHBondContact O-N 3.34Å; N208-R214 PolarHBondContact OD1-NH2 3.32Å; N208-R214 VanDerWaalsContact OD1-NH2 3.15Å
209H55Low67.3Low145 Ų14569.4 Ų69.467%0.67139%0.393SS*.  trans-70.512.1170.9-90.9-83.4000112.9A207 T211A207-H209 PolarHBondContact O-N 3.42Å; H209-T211 PolarHBondContact O-N 3.16Å; H209-T211 PolarHBondContact O-OG1 3.4Å
210V54.8Low65.4Low19 Ų1971.7 Ų71.712%0.11540%0.402CS..THydrogen-bonded Turntrans-80.856.8-173.3-163.30000109.7I204 N208 F213 R214I204-V210 HydrophobicContact CG2-CG2 4.07Å; I204-V210 VanDerWaalsContact O-CG2 3.28Å; I204-V210 WeakPolarHBondContact O-CG2 3.41Å; N208-V210 PolarHBondContact O-N 3.34Å; V210-F213 HydrophobicContact CG1-CB 3.28Å; V210-F213 HydrophobicContact CG1-CD1 4.39Å; V210-F213 HydrophobicContact CG1-CG 4.3Å; V210-R214 WeakPolarHBondContact O-CB 3.47Å; V210-R214 VanDerWaalsContact O-CD 3.24Å; V210-R214 WeakPolarHBondContact O-CD 3.35Å; V210-R214 WeakPolarHBondContact O-CG 3.31Å; V210-R214 PolarHBondContact O-N 3.01Å
211T51.2Low63.7Low107 Ų10770 Ų7066%0.65640%0.396SS*.Hα-helixtrans-73-34.516716.80000110.9H209 T215H209-T211 PolarHBondContact O-N 3.16Å; H209-T211 PolarHBondContact O-OG1 3.4Å; T211-T215 PolarHBondContact O-N 2.94Å; T211-T215 VanDerWaalsContact O-N 3.14Å; T211-T215 PolarHBondContact O-OG1 3.5Å
212S50.2Low62.2Low83 Ų8371.5 Ų71.558%0.5840%0.404SS*.Hα-helixtrans-80.8-47.4-177.248.60000114.3R214 T215 V216S212-R214 VanDerWaalsContact C-N 3.26Å; S212-R214 PolarHBondContact O-N 3.14Å; S212-T215 VanDerWaalsContact CA-OG1 3.29Å; S212-T215 WeakPolarHBondContact CA-OG1 3.14Å; S212-T215 WeakPolarHBondContact O-CB 3.02Å; S212-T215 PolarHBondContact O-N 3.05Å; S212-T215 PolarHBondContact O-OG1 2.64Å; S212-V216 PolarHBondContact O-N 3.05Å
213F47.9Very low60.6Low115 Ų11577.6 Ų77.650%0.50444%0.435SS..Hα-helixtrans-71.5-25.8172.8-158.2-104.5000111.1V210 T215 V216 L217V210-F213 HydrophobicContact CG1-CB 3.28Å; V210-F213 HydrophobicContact CG1-CD1 4.39Å; V210-F213 HydrophobicContact CG1-CG 4.3Å; F213-T215 VanDerWaalsContact C-N 3.28Å; F213-T215 PolarHBondContact O-N 2.89Å; F213-V216 PolarHBondContact O-N 2.87Å; F213-L217 HydrophobicContact CD1-CD1 3.44Å; F213-L217 VanDerWaalsContact CD1-CD1 3.44Å; F213-L217 HydrophobicContact CD1-CG 3.76Å; F213-L217 HydrophobicContact CE1-CD1 3.47Å; F213-L217 VanDerWaalsContact CE1-CD1 3.47Å; F213-L217 HydrophobicContact CE1-CD2 4.24Å; F213-L217 HydrophobicContact CE1-CG 3.7Å; F213-L217 WeakPolarHBondContact O-CB 3.31Å; F213-L217 PolarHBondContact O-N 3.1Å
214R49.5Very low58.9Low90 Ų9076.4 Ų76.434%0.3442%0.424SS..Hα-helixtrans-58.7-43.3164.6-92.3179.4-174176.111.7109.8N208 V210 S212 V216 L217 V218 R339N208-R214 PolarHBondContact OD1-NH2 3.32Å; N208-R214 VanDerWaalsContact OD1-NH2 3.15Å; V210-R214 WeakPolarHBondContact O-CB 3.47Å; V210-R214 VanDerWaalsContact O-CD 3.24Å; V210-R214 WeakPolarHBondContact O-CD 3.35Å; V210-R214 WeakPolarHBondContact O-CG 3.31Å; V210-R214 PolarHBondContact O-N 3.01Å; S212-R214 VanDerWaalsContact C-N 3.26Å; S212-R214 PolarHBondContact O-N 3.14Å; R214-V216 VanDerWaalsContact C-N 3.29Å; R214-V216 PolarHBondContact O-N 3.08Å; R214-L217 PolarHBondContact O-N 3.38Å; R214-V218 HydrophobicContact CB-CG2 4.21Å; R214-V218 VanDerWaalsContact O-CA 3.28Å; R214-V218 WeakPolarHBondContact O-CA 3.22Å; R214-V218 WeakPolarHBondContact O-CB 3.38Å; R214-V218 WeakPolarHBondContact O-CG2 3.5Å; R214-V218 PolarHBondContact O-N 2.92Å; R214-R339 VanDerWaalsContact NH2-CZ 3.3Å
215T48.4Very low57.6Low93 Ų9376.5 Ų76.557%0.57142%0.423SS*.Hα-helixtrans-62.1-38.7-177.9-3.80000111.7T211 S212 F213 A219T211-T215 PolarHBondContact O-N 2.94Å; T211-T215 VanDerWaalsContact O-N 3.14Å; T211-T215 PolarHBondContact O-OG1 3.5Å; S212-T215 VanDerWaalsContact CA-OG1 3.29Å; S212-T215 WeakPolarHBondContact CA-OG1 3.14Å; S212-T215 WeakPolarHBondContact O-CB 3.02Å; S212-T215 PolarHBondContact O-N 3.05Å; S212-T215 PolarHBondContact O-OG1 2.64Å; F213-T215 VanDerWaalsContact C-N 3.28Å; F213-T215 PolarHBondContact O-N 2.89Å; T215-A219 WeakPolarHBondContact O-CB 3.19Å; T215-A219 PolarHBondContact O-N 3.13Å
216V50.4Low56.3Low100 Ų10086.4 Ų86.461%0.60646%0.457SS*.Hα-helixtrans-72.6-49.1176.4-178.10000112.1S212 F213 R214 V218 A219 F220S212-V216 PolarHBondContact O-N 3.05Å; F213-V216 PolarHBondContact O-N 2.87Å; R214-V216 VanDerWaalsContact C-N 3.29Å; R214-V216 PolarHBondContact O-N 3.08Å; V216-V218 VanDerWaalsContact C-N 3.34Å; V216-V218 PolarHBondContact O-N 3.41Å; V216-A219 PolarHBondContact O-N 3.35Å; V216-F220 PolarHBondContact O-N 3.43Å
217L52.4Low54.9Low88 Ų8887.9 Ų87.946%0.46147%0.472SS..Hα-helixtrans-65.3-36.6177-79178.2000112.5F213 R214 F220 A221F213-L217 HydrophobicContact CD1-CD1 3.44Å; F213-L217 VanDerWaalsContact CD1-CD1 3.44Å; F213-L217 HydrophobicContact CD1-CG 3.76Å; F213-L217 HydrophobicContact CE1-CD1 3.47Å; F213-L217 VanDerWaalsContact CE1-CD1 3.47Å; F213-L217 HydrophobicContact CE1-CD2 4.24Å; F213-L217 HydrophobicContact CE1-CG 3.7Å; F213-L217 WeakPolarHBondContact O-CB 3.31Å; F213-L217 PolarHBondContact O-N 3.1Å; R214-L217 PolarHBondContact O-N 3.38Å; L217-F220 PolarHBondContact O-N 2.9Å; L217-A221 WeakPolarHBondContact O-CB 3.44Å; L217-A221 PolarHBondContact O-N 3.15Å
218V52.1Low53.5Low65 Ų6589.3 Ų89.339%0.39447%0.467SS..Hα-helixtrans-73.2-38175.5174.20000109.4R214 V216 F220 A221 L222R214-V218 HydrophobicContact CB-CG2 4.21Å; R214-V218 VanDerWaalsContact O-CA 3.28Å; R214-V218 WeakPolarHBondContact O-CA 3.22Å; R214-V218 WeakPolarHBondContact O-CB 3.38Å; R214-V218 WeakPolarHBondContact O-CG2 3.5Å; R214-V218 PolarHBondContact O-N 2.92Å; V216-V218 VanDerWaalsContact C-N 3.34Å; V216-V218 PolarHBondContact O-N 3.41Å; V218-F220 VanDerWaalsContact C-N 3.32Å; V218-F220 PolarHBondContact O-N 3.12Å; V218-A221 CarbonylContact O-C 3.34Å; V218-A221 PolarHBondContact O-N 2.99Å; V218-L222 HydrophobicContact CG1-CD1 3.54Å; V218-L222 HydrophobicContact CG1-CG 3.69Å; V218-L222 WeakPolarHBondContact O-CA 3.4Å; V218-L222 WeakPolarHBondContact O-CB 3.44Å; V218-L222 WeakPolarHBondContact O-CG 3.47Å; V218-L222 PolarHBondContact O-N 3.22Å
219A52.8Low52.8Low48 Ų4890.3 Ų90.340%0.39748%0.48SS..Hα-helixtrans-59.5-45.3170.900000110.8T215 V216 L222 L223T215-A219 WeakPolarHBondContact O-CB 3.19Å; T215-A219 PolarHBondContact O-N 3.13Å; V216-A219 PolarHBondContact O-N 3.35Å; A219-L222 PolarHBondContact O-N 3.35Å; A219-L223 WeakPolarHBondContact O-CB 3.46Å; A219-L223 WeakPolarHBondContact O-CD1 3.33Å; A219-L223 WeakPolarHBondContact O-CG 3.43Å; A219-L223 PolarHBondContact O-N 2.92Å
220F54.3Low52.8Low66 Ų6690.7 Ų90.729%0.28948%0.48SS..Hα-helixtrans-64.6-44.1174.1-172-93.5000112.3V216 L217 V218 L222 L223 T224 F243V216-F220 PolarHBondContact O-N 3.43Å; L217-F220 PolarHBondContact O-N 2.9Å; V218-F220 VanDerWaalsContact C-N 3.32Å; V218-F220 PolarHBondContact O-N 3.12Å; F220-L222 PolarHBondContact O-N 3.43Å; F220-L223 PolarHBondContact O-N 2.91Å; F220-T224 HydrophobicContact CD1-CG2 4.36Å; F220-T224 HydrophobicContact CE1-CG2 3.91Å; F220-T224 HydrophobicContact CZ-CG2 4.03Å; F220-T224 WeakPolarHBondContact O-CG2 3.37Å; F220-T224 PolarHBondContact O-N 3.32Å; F220-T224 PolarHBondContact O-OG1 3.12Å; F220-F243 HydrophobicContact CD1-CD2 4.09Å; F220-F243 HydrophobicContact CD2-CD2 4.45Å; F220-F243 HydrophobicContact CE1-CB 3.77Å; F220-F243 AromaticContact CE1-CD2 3.66Å; F220-F243 HydrophobicContact CE1-CD2 3.66Å; F220-F243 HydrophobicContact CE1-CG 4.17Å; F220-F243 HydrophobicContact CE2-CD2 4.05Å; F220-F243 HydrophobicContact CG-CD2 4.49Å; F220-F243 HydrophobicContact CZ-CB 3.59Å; F220-F243 AromaticContact CZ-CD2 3.66Å; F220-F243 HydrophobicContact CZ-CD2 3.66Å; F220-F243 HydrophobicContact CZ-CG 4.12Å
221A54.4Low53Low36 Ų3699.5 Ų99.530%0.29851%0.511SS..Hα-helixtrans-66.4-36.6177.700000111.9L217 V218 T224 E225L217-A221 WeakPolarHBondContact O-CB 3.44Å; L217-A221 PolarHBondContact O-N 3.15Å; V218-A221 CarbonylContact O-C 3.34Å; V218-A221 PolarHBondContact O-N 2.99Å; A221-T224 WeakPolarHBondContact CA-OG1 3.38Å; A221-T224 CarbonylContact O-C 3.6Å; A221-T224 PolarHBondContact O-N 3.3Å; A221-T224 PolarHBondContact O-OG1 2.84Å; A221-T224 VanDerWaalsContact O-OG1 3.05Å; A221-E225 WeakPolarHBondContact O-CA 3.38Å; A221-E225 WeakPolarHBondContact O-CB 3.4Å; A221-E225 VanDerWaalsContact O-CG 3.22Å; A221-E225 WeakPolarHBondContact O-CG 3.4Å; A221-E225 PolarHBondContact O-N 2.87Å
222L56.4Low53.7Low99 Ų9997.5 Ų97.552%0.51850%0.501SS..Hα-helixtrans-71.2-41.7176.8-74173.7000111.1V218 A219 F220 T224 E225 R226V218-L222 HydrophobicContact CG1-CD1 3.54Å; V218-L222 HydrophobicContact CG1-CG 3.69Å; V218-L222 WeakPolarHBondContact O-CA 3.4Å; V218-L222 WeakPolarHBondContact O-CB 3.44Å; V218-L222 WeakPolarHBondContact O-CG 3.47Å; V218-L222 PolarHBondContact O-N 3.22Å; A219-L222 PolarHBondContact O-N 3.35Å; F220-L222 PolarHBondContact O-N 3.43Å; L222-T224 VanDerWaalsContact C-N 3.25Å; L222-T224 PolarHBondContact O-N 3.28Å; L222-E225 PolarHBondContact O-N 3.46Å; L222-R226 PolarHBondContact O-N 2.98Å
223L56.5Low54.6Low128 Ų128100.2 Ų100.267%0.6751%0.508SS*.Hα-helixtrans-58.8-40.1172.4-77.6165.5000110.9A219 F220A219-L223 WeakPolarHBondContact O-CB 3.46Å; A219-L223 WeakPolarHBondContact O-CD1 3.33Å; A219-L223 WeakPolarHBondContact O-CG 3.43Å; A219-L223 PolarHBondContact O-N 2.92Å; F220-L223 PolarHBondContact O-N 2.91Å
224T52.8Low55.7Low9 Ų9100.3 Ų100.36%0.05551%0.513CS..Hα-helixtrans-83.7-26.5178.357.40000114.5F220 A221 L222 R226 V227 F228 L242F220-T224 HydrophobicContact CD1-CG2 4.36Å; F220-T224 HydrophobicContact CE1-CG2 3.91Å; F220-T224 HydrophobicContact CZ-CG2 4.03Å; F220-T224 WeakPolarHBondContact O-CG2 3.37Å; F220-T224 PolarHBondContact O-N 3.32Å; F220-T224 PolarHBondContact O-OG1 3.12Å; A221-T224 WeakPolarHBondContact CA-OG1 3.38Å; A221-T224 CarbonylContact O-C 3.6Å; A221-T224 PolarHBondContact O-N 3.3Å; A221-T224 PolarHBondContact O-OG1 2.84Å; A221-T224 VanDerWaalsContact O-OG1 3.05Å; L222-T224 VanDerWaalsContact C-N 3.25Å; L222-T224 PolarHBondContact O-N 3.28Å; T224-R226 VanDerWaalsContact C-N 3.26Å; T224-R226 PolarHBondContact O-N 3.27Å; T224-V227 PolarHBondContact O-N 3.18Å; T224-V227 VanDerWaalsContact O-N 3.12Å; T224-F228 PolarHBondContact O-N 2.79Å; T224-L242 HydrophobicContact CG2-CD2 3.61Å
225E55.6Low56.7Low82 Ų8296.3 Ų96.338%0.38350%0.5SS..Hα-helixtrans-64.7-30.5176.3-91-164.1-178.200111.7A221 L222 V227 K230A221-E225 WeakPolarHBondContact O-CA 3.38Å; A221-E225 WeakPolarHBondContact O-CB 3.4Å; A221-E225 VanDerWaalsContact O-CG 3.22Å; A221-E225 WeakPolarHBondContact O-CG 3.4Å; A221-E225 PolarHBondContact O-N 2.87Å; L222-E225 PolarHBondContact O-N 3.46Å; E225-V227 PolarHBondContact O-N 2.89Å; E225-K230 VanDerWaalsContact CD-CE 3.42Å; E225-K230 VanDerWaalsContact OE1-CE 3.24Å; E225-K230 WeakPolarHBondContact OE1-CE 3.44Å; E225-K230 IonicContact OE1-NZ 3.84Å; E225-K230 VanDerWaalsContact OE2-CE 3.26Å; E225-K230 WeakPolarHBondContact OE2-CE 3.27Å; E225-K230 IonicContact OE2-NZ 3.56Å
226R53.8Low57.7Low237 Ų23794.5 Ų94.589%0.89450%0.495SS*.THydrogen-bonded Turntrans-65.6-23.7173.5-88-173.3177.4173.40.2113.6L222 T224L222-R226 PolarHBondContact O-N 2.98Å; T224-R226 VanDerWaalsContact C-N 3.26Å; T224-R226 PolarHBondContact O-N 3.27Å
227V55.4Low58.8Low97 Ų9794 Ų9459%0.58849%0.487SS*.THydrogen-bonded Turntrans-100.7-32.3-171.5-166.10000112.4T224 E225T224-V227 PolarHBondContact O-N 3.18Å; T224-V227 VanDerWaalsContact O-N 3.12Å; E225-V227 PolarHBondContact O-N 2.89Å
228F51.3Low60Low89 Ų8991.7 Ų91.739%0.3948%0.477SS..SBendtrans-138.4128.4-175.3-66.2-77.9000114.6T224 V238T224-F228 PolarHBondContact O-N 2.79Å; F228-V238 HydrophobicContact CD2-CG1 3.77Å; F228-V238 HydrophobicContact CE1-CG1 4.41Å; F228-V238 HydrophobicContact CE2-CG1 3.4Å; F228-V238 VanDerWaalsContact CE2-CG1 3.4Å; F228-V238 HydrophobicContact CG-CG1 4.42Å; F228-V238 HydrophobicContact CZ-CG1 3.78Å
229S54.5Low60.9Low101 Ų10191 Ų9171%0.70647%0.468SS*.  trans-49.9139-179.2179.70000113.9R231S229-R231 PolarHBondContact O-N 3.35Å
230K55.4Low62.1Low152 Ų15293.1 Ų93.166%0.66148%0.476SS*.THydrogen-bonded Turntrans-57-16-166.3-81-176.3172.51790117.2E225E225-K230 VanDerWaalsContact CD-CE 3.42Å; E225-K230 VanDerWaalsContact OE1-CE 3.24Å; E225-K230 WeakPolarHBondContact OE1-CE 3.44Å; E225-K230 IonicContact OE1-NZ 3.84Å; E225-K230 VanDerWaalsContact OE2-CE 3.26Å; E225-K230 WeakPolarHBondContact OE2-CE 3.27Å; E225-K230 IonicContact OE2-NZ 3.56Å
231R57.7Low63.3Low204 Ų20494.9 Ų94.977%0.7749%0.488SS*.THydrogen-bonded Turntrans-133.71.1-163.4-71.4-172.4178.2167.2-0.2117.6S229S229-R231 PolarHBondContact O-N 3.35Å
232S65.8Low64.6Low65 Ų6597.6 Ų97.646%0.45550%0.497SS..  trans-83.7134.7174.5-177.70000110.6L234 G235 A236S232-L234 PolarHBondContact O-N 3.42Å; S232-L234 WeakPolarHBondContact OG-CB 3.36Å; S232-L234 PolarHBondContact OG-N 3.02Å; S232-G235 WeakPolarHBondContact O-CA 3.48Å; S232-G235 PolarHBondContact O-N 3.12Å; S232-A236 PolarHBondContact O-N 3Å; S232-A236 VanDerWaalsContact O-N 3.12Å
233I68.8Low65.6Low140 Ų14097.7 Ų97.772%0.71849%0.494SS*.Hα-helixtrans-52.2-39.1169.9-66.9169.9000109.9G235 A236 I237I233-G235 VanDerWaalsContact C-N 3.31Å; I233-G235 PolarHBondContact O-N 3.15Å; I233-A236 WeakPolarHBondContact O-CB 3.27Å; I233-A236 PolarHBondContact O-N 2.73Å; I233-A236 VanDerWaalsContact O-N 3.11Å; I233-I237 HydrophobicContact CG2-CD1 3.96Å; I233-I237 HydrophobicContact CG2-CG1 4.45Å; I233-I237 WeakPolarHBondContact O-CG1 3.44Å; I233-I237 PolarHBondContact O-N 2.88Å
234L71.3Confident66.8Low118 Ų11894.6 Ų94.662%0.61848%0.482SS*.Hα-helixtrans-58.6-43174.5-174.666.2000111.7S232 A236 I237 V238S232-L234 PolarHBondContact O-N 3.42Å; S232-L234 WeakPolarHBondContact OG-CB 3.36Å; S232-L234 PolarHBondContact OG-N 3.02Å; L234-A236 VanDerWaalsContact C-N 3.31Å; L234-A236 PolarHBondContact O-N 3.27Å; L234-I237 PolarHBondContact O-N 3.43Å; L234-V238 VanDerWaalsContact O-CG2 3.29Å; L234-V238 WeakPolarHBondContact O-CG2 3.32Å; L234-V238 PolarHBondContact O-N 3.11Å
235G70.4Confident68.3Low5 Ų598.7 Ų98.75%0.05251%0.507CS..Hα-helixtrans-63.5-35.1176.100000112.8S232 I233 K239S232-G235 WeakPolarHBondContact O-CA 3.48Å; S232-G235 PolarHBondContact O-N 3.12Å; I233-G235 VanDerWaalsContact C-N 3.31Å; I233-G235 PolarHBondContact O-N 3.15Å; G235-K239 WeakPolarHBondContact O-CB 3.45Å; G235-K239 WeakPolarHBondContact O-CG 3.45Å; G235-K239 PolarHBondContact O-N 3.39Å; G235-K239 VanDerWaalsContact O-N 3.08Å
236A68.9Low69.6Low56 Ų5696.5 Ų96.546%0.46351%0.507SS..Hα-helixtrans-68.4-44.6173.900000111.8S232 I233 L234 V238 K239 V240S232-A236 PolarHBondContact O-N 3Å; S232-A236 VanDerWaalsContact O-N 3.12Å; I233-A236 WeakPolarHBondContact O-CB 3.27Å; I233-A236 PolarHBondContact O-N 2.73Å; I233-A236 VanDerWaalsContact O-N 3.11Å; L234-A236 VanDerWaalsContact C-N 3.31Å; L234-A236 PolarHBondContact O-N 3.27Å; A236-V238 PolarHBondContact O-N 2.96Å; A236-K239 PolarHBondContact O-N 3.04Å; A236-V240 WeakPolarHBondContact O-CG2 3.38Å; A236-V240 PolarHBondContact O-N 2.94Å
237I74.4Confident71Confident89 Ų8988.5 Ų88.546%0.45648%0.484SS..Hα-helixtrans-59.4-47.6176.5-66.6167.8000110.4I233 L234 K239 V240 L241I233-I237 HydrophobicContact CG2-CD1 3.96Å; I233-I237 HydrophobicContact CG2-CG1 4.45Å; I233-I237 WeakPolarHBondContact O-CG1 3.44Å; I233-I237 PolarHBondContact O-N 2.88Å; L234-I237 PolarHBondContact O-N 3.43Å; I237-K239 VanDerWaalsContact C-N 3.32Å; I237-K239 PolarHBondContact O-N 3.31Å; I237-V240 PolarHBondContact O-N 3.36Å; I237-L241 HydrophobicContact CG2-CD1 3.9Å; I237-L241 HydrophobicContact CG2-CG 4.38Å; I237-L241 WeakPolarHBondContact O-CG 3.22Å; I237-L241 PolarHBondContact O-N 2.95Å
238V77.4Confident72.4Confident40 Ų4088 Ų8824%0.24248%0.481CS..Hα-helixtrans-62.3-38.8178.81740000111.6F228 L234 A236 L241 L242F228-V238 HydrophobicContact CD2-CG1 3.77Å; F228-V238 HydrophobicContact CE1-CG1 4.41Å; F228-V238 HydrophobicContact CE2-CG1 3.4Å; F228-V238 VanDerWaalsContact CE2-CG1 3.4Å; F228-V238 HydrophobicContact CG-CG1 4.42Å; F228-V238 HydrophobicContact CZ-CG1 3.78Å; L234-V238 VanDerWaalsContact O-CG2 3.29Å; L234-V238 WeakPolarHBondContact O-CG2 3.32Å; L234-V238 PolarHBondContact O-N 3.11Å; A236-V238 PolarHBondContact O-N 2.96Å; V238-L241 PolarHBondContact O-N 3.44Å; V238-L242 WeakPolarHBondContact O-CB 3.41Å; V238-L242 PolarHBondContact O-N 3.27Å
239K71.9Confident73.9Confident49 Ų4986.4 Ų86.421%0.21348%0.484CS..Hα-helixtrans-63.4-43.5175.2-75.6171.6-172.5-176.90112.5G235 A236 I237 L242 F243G235-K239 WeakPolarHBondContact O-CB 3.45Å; G235-K239 WeakPolarHBondContact O-CG 3.45Å; G235-K239 PolarHBondContact O-N 3.39Å; G235-K239 VanDerWaalsContact O-N 3.08Å; A236-K239 PolarHBondContact O-N 3.04Å; I237-K239 VanDerWaalsContact C-N 3.32Å; I237-K239 PolarHBondContact O-N 3.31Å; K239-L242 PolarHBondContact O-N 2.95Å; K239-F243 WeakPolarHBondContact O-CB 3.36Å; K239-F243 PolarHBondContact O-N 3.31Å
240V76.4Confident75.3Confident93 Ų9386.3 Ų86.356%0.56448%0.475SS*.Hα-helixtrans-63.4-45.7176.2173.20000110.3A236 I237 L242 F243 C244A236-V240 WeakPolarHBondContact O-CG2 3.38Å; A236-V240 PolarHBondContact O-N 2.94Å; I237-V240 PolarHBondContact O-N 3.36Å; V240-L242 PolarHBondContact O-N 3.41Å; V240-F243 PolarHBondContact O-N 2.88Å; V240-C244 PolarHBondContact O-N 3.28Å; V240-C244 PolarHBondContact O-SG 3.08Å
241L80.5Confident76.6Confident103 Ų10384 Ų8454%0.53947%0.465SS..Hα-helixtrans-60.6-46.5176.9-72.7171.9000112I237 V238 F243 C244 V245I237-L241 HydrophobicContact CG2-CD1 3.9Å; I237-L241 HydrophobicContact CG2-CG 4.38Å; I237-L241 WeakPolarHBondContact O-CG 3.22Å; I237-L241 PolarHBondContact O-N 2.95Å; V238-L241 PolarHBondContact O-N 3.44Å; L241-F243 VanDerWaalsContact C-N 3.31Å; L241-F243 PolarHBondContact O-N 2.97Å; L241-C244 PolarHBondContact O-N 3.45Å; L241-V245 WeakPolarHBondContact O-CB 3.44Å; L241-V245 VanDerWaalsContact O-CG2 3.31Å; L241-V245 WeakPolarHBondContact O-CG2 3.42Å; L241-V245 PolarHBondContact O-N 3.25Å
242L81.7Confident77.8Confident93 Ų9378.3 Ų78.349%0.48745%0.449SS..Hα-helixtrans-62.6-38.6177.9-170.276.3000111.7T224 V238 K239 V240 G246T224-L242 HydrophobicContact CG2-CD2 3.61Å; V238-L242 WeakPolarHBondContact O-CB 3.41Å; V238-L242 PolarHBondContact O-N 3.27Å; K239-L242 PolarHBondContact O-N 2.95Å; V240-L242 PolarHBondContact O-N 3.41Å; L242-G246 PolarHBondContact O-N 2.94Å
243F78.1Confident78.6Confident101 Ų10179.7 Ų79.744%0.44345%0.451SS..Hα-helixtrans-64-45.9174.5-179.4-98.7000111.8F220 K239 V240 L241 G246 T247F220-F243 HydrophobicContact CD1-CD2 4.09Å; F220-F243 HydrophobicContact CD2-CD2 4.45Å; F220-F243 HydrophobicContact CE1-CB 3.77Å; F220-F243 AromaticContact CE1-CD2 3.66Å; F220-F243 HydrophobicContact CE1-CD2 3.66Å; F220-F243 HydrophobicContact CE1-CG 4.17Å; F220-F243 HydrophobicContact CE2-CD2 4.05Å; F220-F243 HydrophobicContact CG-CD2 4.49Å; F220-F243 HydrophobicContact CZ-CB 3.59Å; F220-F243 AromaticContact CZ-CD2 3.66Å; F220-F243 HydrophobicContact CZ-CD2 3.66Å; F220-F243 HydrophobicContact CZ-CG 4.12Å; K239-F243 WeakPolarHBondContact O-CB 3.36Å; K239-F243 PolarHBondContact O-N 3.31Å; V240-F243 PolarHBondContact O-N 2.88Å; L241-F243 VanDerWaalsContact C-N 3.31Å; L241-F243 PolarHBondContact O-N 2.97Å; F243-G246 PolarHBondContact O-N 3.13Å; F243-T247 WeakPolarHBondContact O-CB 2.95Å; F243-T247 PolarHBondContact O-N 3.27Å; F243-T247 PolarHBondContact O-OG1 2.92Å
244C80.8Confident79.3Confident63 Ų6377.2 Ų77.243%0.42644%0.438SS..Hα-helixtrans-60.7-49.6176.2-70.20000111.4V240 L241 G246 T247 V248V240-C244 PolarHBondContact O-N 3.28Å; V240-C244 PolarHBondContact O-SG 3.08Å; L241-C244 PolarHBondContact O-N 3.45Å; C244-G246 PolarHBondContact O-N 3.4Å; C244-T247 PolarHBondContact O-N 2.86Å; C244-V248 WeakPolarHBondContact O-CG2 3.3Å; C244-V248 PolarHBondContact O-N 3.49Å
245V84.3Confident79.6Confident96 Ų9672.7 Ų72.758%0.58242%0.418SS*.Hα-helixtrans-61.2-45.31781720000110.8L241 T247 V248 A249L241-V245 WeakPolarHBondContact O-CB 3.44Å; L241-V245 VanDerWaalsContact O-CG2 3.31Å; L241-V245 WeakPolarHBondContact O-CG2 3.42Å; L241-V245 PolarHBondContact O-N 3.25Å; V245-T247 VanDerWaalsContact C-N 3.32Å; V245-T247 PolarHBondContact O-N 3.43Å; V245-V248 PolarHBondContact O-N 3.41Å; V245-A249 VanDerWaalsContact O-CB 3.3Å; V245-A249 WeakPolarHBondContact O-CB 3.4Å; V245-A249 PolarHBondContact O-N 2.98Å
246G83.5Confident80.2Confident36 Ų3682 Ų8237%0.37145%0.452SS..Hα-helixtrans-61.6-39.5177.200000112.7L242 F243 C244 L250L242-G246 PolarHBondContact O-N 2.94Å; F243-G246 PolarHBondContact O-N 3.13Å; C244-G246 PolarHBondContact O-N 3.4Å; G246-L250 VanDerWaalsContact O-CB 3.26Å; G246-L250 WeakPolarHBondContact O-CB 3.16Å; G246-L250 PolarHBondContact O-N 3.42Å
247T83Confident80.9Confident68 Ų6885.5 Ų85.542%0.41746%0.462SS..Hα-helixtrans-67.4-43.2176.8-550000111.5F243 C244 V245 L250 K251F243-T247 WeakPolarHBondContact O-CB 2.95Å; F243-T247 PolarHBondContact O-N 3.27Å; F243-T247 PolarHBondContact O-OG1 2.92Å; C244-T247 PolarHBondContact O-N 2.86Å; V245-T247 VanDerWaalsContact C-N 3.32Å; V245-T247 PolarHBondContact O-N 3.43Å; T247-L250 PolarHBondContact O-N 2.94Å; T247-K251 WeakPolarHBondContact O-CB 3.27Å; T247-K251 PolarHBondContact O-N 3.4Å
248V83.2Confident81.2Confident87 Ų8785.3 Ų85.353%0.52747%0.467SS..Hα-helixtrans-65.3-44.9176.3171.80000110.9C244 V245 L250 K251 I252C244-V248 WeakPolarHBondContact O-CG2 3.3Å; C244-V248 PolarHBondContact O-N 3.49Å; V245-V248 PolarHBondContact O-N 3.41Å; V248-L250 VanDerWaalsContact C-N 3.33Å; V248-L250 PolarHBondContact O-N 3.35Å; V248-K251 PolarHBondContact O-N 2.94Å; V248-I252 HydrophobicContact CG1-CD1 3.81Å; V248-I252 HydrophobicContact CG1-CG1 4.44Å; V248-I252 WeakPolarHBondContact O-CG1 3.32Å; V248-I252 PolarHBondContact O-N 3.08Å
249A83.2Confident80.9Confident56 Ų5688.1 Ų88.146%0.46349%0.489SS..Hα-helixtrans-60.8-43.3176.800000111.5V245 I252 L253V245-A249 VanDerWaalsContact O-CB 3.3Å; V245-A249 WeakPolarHBondContact O-CB 3.4Å; V245-A249 PolarHBondContact O-N 2.98Å; A249-I252 PolarHBondContact O-N 3.37Å; A249-L253 WeakPolarHBondContact O-CB 3.45Å; A249-L253 PolarHBondContact O-N 2.93Å
250L84.6Confident80.7Confident98 Ų9889 Ų8951%0.51350%0.498SS..Hα-helixtrans-63.3-42.9175.1-177.862.9000111.6G246 T247 V248 L253 I254G246-L250 VanDerWaalsContact O-CB 3.26Å; G246-L250 WeakPolarHBondContact O-CB 3.16Å; G246-L250 PolarHBondContact O-N 3.42Å; T247-L250 PolarHBondContact O-N 2.94Å; V248-L250 VanDerWaalsContact C-N 3.33Å; V248-L250 PolarHBondContact O-N 3.35Å; L250-L253 PolarHBondContact O-N 3.39Å; L250-I254 HydrophobicContact CD1-CD1 3.99Å; L250-I254 HydrophobicContact CD1-CG1 4.24Å; L250-I254 HydrophobicContact CG-CD1 3.85Å; L250-I254 HydrophobicContact CG-CG1 4.48Å; L250-I254 WeakPolarHBondContact O-CB 3.37Å; L250-I254 VanDerWaalsContact O-CG1 3.27Å; L250-I254 WeakPolarHBondContact O-CG1 3.15Å; L250-I254 PolarHBondContact O-N 2.84Å
251K82.9Confident80Confident103 Ų10389.5 Ų89.545%0.44850%0.502SS..Hα-helixtrans-59-49.1175.1-175-173175.8-169.70111T247 V248 L253 I254 A255 D263T247-K251 WeakPolarHBondContact O-CB 3.27Å; T247-K251 PolarHBondContact O-N 3.4Å; V248-K251 PolarHBondContact O-N 2.94Å; K251-L253 VanDerWaalsContact C-N 3.32Å; K251-L253 PolarHBondContact O-N 2.87Å; K251-I254 PolarHBondContact O-N 3.4Å; K251-A255 VanDerWaalsContact O-CB 3.3Å; K251-A255 WeakPolarHBondContact O-CB 3.19Å; K251-A255 PolarHBondContact O-N 3.31Å; K251-D263 WeakPolarHBondContact CE-OD2 3.16Å; K251-D263 IonicContact NZ-OD2 2.76Å; K251-D263 PolarHBondContact NZ-OD2 3.3Å
252I81.9Confident79Confident85 Ų8588.3 Ų88.344%0.43650%0.496SS..Hα-helixtrans-62.4-41.9179.6-67.5167.6000110.6V248 A249 A255 R256V248-I252 HydrophobicContact CG1-CD1 3.81Å; V248-I252 HydrophobicContact CG1-CG1 4.44Å; V248-I252 WeakPolarHBondContact O-CG1 3.32Å; V248-I252 PolarHBondContact O-N 3.08Å; A249-I252 PolarHBondContact O-N 3.37Å; I252-A255 PolarHBondContact O-N 2.93Å; I252-R256 WeakPolarHBondContact O-CB 3.42Å; I252-R256 WeakPolarHBondContact O-CG 3.5Å; I252-R256 PolarHBondContact O-N 3.33Å
253L83.4Confident78.2Confident95 Ų9586 Ų8650%0.49748%0.484SS..Hα-helixtrans-61.2-49.6176.9179.764.1000111.1A249 L250 K251 A255 R256 L257A249-L253 WeakPolarHBondContact O-CB 3.45Å; A249-L253 PolarHBondContact O-N 2.93Å; L250-L253 PolarHBondContact O-N 3.39Å; K251-L253 VanDerWaalsContact C-N 3.32Å; K251-L253 PolarHBondContact O-N 2.87Å; L253-A255 PolarHBondContact O-N 2.94Å; L253-R256 PolarHBondContact O-N 3.19Å; L253-L257 HydrophobicContact CD1-CD1 4.04Å; L253-L257 HydrophobicContact CD1-CG 4.21Å; L253-L257 HydrophobicContact CG-CD1 3.86Å; L253-L257 HydrophobicContact CG-CG 4.42Å; L253-L257 WeakPolarHBondContact O-CB 3.46Å; L253-L257 VanDerWaalsContact O-CG 3.25Å; L253-L257 WeakPolarHBondContact O-CG 3.16Å; L253-L257 PolarHBondContact O-N 3.44Å
254I82.5Confident77.7Confident87 Ų8783.5 Ų83.545%0.44648%0.482SS..Hα-helixtrans-61.8-44.9177.5-67.5168000110.4L250 K251 R256 L257 C258L250-I254 HydrophobicContact CD1-CD1 3.99Å; L250-I254 HydrophobicContact CD1-CG1 4.24Å; L250-I254 HydrophobicContact CG-CD1 3.85Å; L250-I254 HydrophobicContact CG-CG1 4.48Å; L250-I254 WeakPolarHBondContact O-CB 3.37Å; L250-I254 VanDerWaalsContact O-CG1 3.27Å; L250-I254 WeakPolarHBondContact O-CG1 3.15Å; L250-I254 PolarHBondContact O-N 2.84Å; K251-I254 PolarHBondContact O-N 3.4Å; I254-R256 VanDerWaalsContact C-N 3.31Å; I254-R256 PolarHBondContact O-N 3.37Å; I254-L257 PolarHBondContact O-N 3.03Å; I254-C258 VanDerWaalsContact O-CB 3.27Å; I254-C258 WeakPolarHBondContact O-CB 3.25Å; I254-C258 PolarHBondContact O-N 2.94Å; I254-C258 PolarHBondContact O-SG 2.96Å
255A79.1Confident77.2Confident24 Ų2481 Ų8120%0.19846%0.464CS..Hα-helixtrans-60-41.2178.500000111.9K251 I252 L253 S259 V260K251-A255 VanDerWaalsContact O-CB 3.3Å; K251-A255 WeakPolarHBondContact O-CB 3.19Å; K251-A255 PolarHBondContact O-N 3.31Å; I252-A255 PolarHBondContact O-N 2.93Å; L253-A255 PolarHBondContact O-N 2.94Å; A255-S259 WeakPolarHBondContact O-CA 3.48Å; A255-S259 PolarHBondContact O-N 3.1Å; A255-V260 HydrophobicContact CB-CB 4.39Å; A255-V260 PolarHBondContact O-N 2.9Å
256R81.3Confident76.9Confident201 Ų20181 Ų8176%0.75846%0.46SS*.Hα-helixtrans-69.9-41.8175.4-73.8-175.4179.5-172.10.4112.7I252 L253 I254 C258 S259I252-R256 WeakPolarHBondContact O-CB 3.42Å; I252-R256 WeakPolarHBondContact O-CG 3.5Å; I252-R256 PolarHBondContact O-N 3.33Å; L253-R256 PolarHBondContact O-N 3.19Å; I254-R256 VanDerWaalsContact C-N 3.31Å; I254-R256 PolarHBondContact O-N 3.37Å; R256-C258 VanDerWaalsContact C-N 3.3Å; R256-C258 PolarHBondContact O-N 3.21Å; R256-S259 PolarHBondContact O-N 3.09Å
257L83.8Confident76.6Confident129 Ų12985 Ų8568%0.67547%0.467SS*.Hα-helixtrans-65.5-34.3177.4-73.3172.4000112.2L253 I254L253-L257 HydrophobicContact CD1-CD1 4.04Å; L253-L257 HydrophobicContact CD1-CG 4.21Å; L253-L257 HydrophobicContact CG-CD1 3.86Å; L253-L257 HydrophobicContact CG-CG 4.42Å; L253-L257 WeakPolarHBondContact O-CB 3.46Å; L253-L257 VanDerWaalsContact O-CG 3.25Å; L253-L257 WeakPolarHBondContact O-CG 3.16Å; L253-L257 PolarHBondContact O-N 3.44Å; I254-L257 PolarHBondContact O-N 3.03Å
258C80.7Confident76.4Confident84 Ų8485.5 Ų85.557%0.56847%0.465SS*.THydrogen-bonded Turntrans-95.25.9179.2-63.50000113.3I254 R256 V260I254-C258 VanDerWaalsContact O-CB 3.27Å; I254-C258 WeakPolarHBondContact O-CB 3.25Å; I254-C258 PolarHBondContact O-N 2.94Å; I254-C258 PolarHBondContact O-SG 2.96Å; R256-C258 VanDerWaalsContact C-N 3.3Å; R256-C258 PolarHBondContact O-N 3.21Å; C258-V260 VanDerWaalsContact C-N 3.25Å; C258-V260 HydrophobicContact CB-CG2 3.77Å; C258-V260 PolarHBondContact O-N 3.47Å
259S72.4Confident76.3Confident99 Ų9982 Ų8269%0.69244%0.443SS*.THydrogen-bonded Turntrans47.842.6-177.5-60.80000114.1A255 R256 T261A255-S259 WeakPolarHBondContact O-CA 3.48Å; A255-S259 PolarHBondContact O-N 3.1Å; R256-S259 PolarHBondContact O-N 3.09Å; S259-T261 PolarHBondContact O-N 3.06Å
260V67.9Low76.4Confident67 Ų6782.1 Ų82.141%0.40644%0.435SS..  trans-80.7103.4-178.5-1760000109.5A255 C258A255-V260 HydrophobicContact CB-CB 4.39Å; A255-V260 PolarHBondContact O-N 2.9Å; C258-V260 VanDerWaalsContact C-N 3.25Å; C258-V260 HydrophobicContact CB-CG2 3.77Å; C258-V260 PolarHBondContact O-N 3.47Å
261T61.1Low76.3Confident104 Ų10481.9 Ų81.964%0.63843%0.43SS*.  trans-90.8-15.4177.947.70000114S259 D263 A264S259-T261 PolarHBondContact O-N 3.06Å; T261-D263 VanDerWaalsContact C-N 3.32Å; T261-D263 PolarHBondContact O-N 3.4Å; T261-A264 PolarHBondContact O-N 3.34Å
262D60.1Low76.3Confident79 Ų7977 Ų7742%0.42241%0.409SS..THydrogen-bonded Turntrans-74.9-20.9-166.8-58.9-24.4000113.6A264D262-A264 PolarHBondContact O-N 2.92Å
263D65Low76.4Confident44 Ų4474.3 Ų74.324%0.23539%0.394CS..THydrogen-bonded Turntrans-65.2-18.6178.5-90.814.6000113.2K251 T261 H265 I266 F267K251-D263 WeakPolarHBondContact CE-OD2 3.16Å; K251-D263 IonicContact NZ-OD2 2.76Å; K251-D263 PolarHBondContact NZ-OD2 3.3Å; T261-D263 VanDerWaalsContact C-N 3.32Å; T261-D263 PolarHBondContact O-N 3.4Å; D263-H265 PolarHBondContact O-N 2.61Å; D263-I266 PolarHBondContact O-N 2.77Å; D263-I266 VanDerWaalsContact O-N 3.14Å; D263-F267 HydrophobicContact CB-CD2 4.37Å; D263-F267 HydrophobicContact CB-CE2 4.34Å; D263-F267 WeakPolarHBondContact O-CD2 2.76Å; D263-F267 PolarHBondContact O-N 3.4Å
264A66.7Low76.5Confident48 Ų4875.5 Ų75.540%0.39740%0.401SS..Hα-helixtrans-54.5-39.5-178.800000111.9T261 D262 I266 F267 E268T261-A264 PolarHBondContact O-N 3.34Å; D262-A264 PolarHBondContact O-N 2.92Å; A264-I266 PolarHBondContact O-N 2.81Å; A264-F267 PolarHBondContact O-N 3.44Å; A264-E268 WeakPolarHBondContact O-CG 3.29Å; A264-E268 PolarHBondContact O-N 3.41Å
265H71.2Confident76.6Confident12 Ų1277.2 Ų77.26%0.05641%0.41CS..Hα-helixtrans-65-40.6-179.6173.5-99.3000113.1D263 F267 E268 L269 Y285D263-H265 PolarHBondContact O-N 2.61Å; H265-F267 VanDerWaalsContact C-N 3.33Å; H265-F267 PolarHBondContact O-N 2.95Å; H265-E268 PolarHBondContact O-N 2.63Å; H265-L269 WeakPolarHBondContact O-CB 3.19Å; H265-L269 PolarHBondContact O-N 3.31Å; H265-Y285 AromaticContact CD2-CE2 3.58Å; H265-Y285 AromaticContact CE1-CD2 3.64Å; H265-Y285 AromaticContact CE1-CE1 3.58Å; H265-Y285 AromaticContact CE1-CE2 3.19Å; H265-Y285 WeakPolarHBondContact CE1-CE2 3.33Å; H265-Y285 AromaticContact CE1-CZ 3.09Å; H265-Y285 PolarHBondContact CE1-OH 3.4Å; H265-Y285 AromaticContact ND1-CZ 3.9Å; H265-Y285 AromaticContact NE2-CD2 3.06Å; H265-Y285 WeakPolarHBondContact NE2-CD2 3.28Å; H265-Y285 AromaticContact NE2-CE2 2.76Å; H265-Y285 WeakPolarHBondContact NE2-CE2 3.46Å; H265-Y285 AromaticContact NE2-CG 3.82Å; H265-Y285 AromaticContact NE2-CZ 3.25Å; H265-Y285 VanDerWaalsContact NE2-CZ 3.25Å
266I77.6Confident76.6Confident95 Ų9578.2 Ų78.249%0.48742%0.423SS..Hα-helixtrans-66.6-40.1178.3-59.8174.9000110D263 A264 L269 L270D263-I266 PolarHBondContact O-N 2.77Å; D263-I266 VanDerWaalsContact O-N 3.14Å; A264-I266 PolarHBondContact O-N 2.81Å; I266-L269 PolarHBondContact O-N 3.48Å; I266-L270 HydrophobicContact CG2-CD1 4.13Å; I266-L270 WeakPolarHBondContact O-CB 3.39Å; I266-L270 WeakPolarHBondContact O-CG 3.48Å; I266-L270 PolarHBondContact O-N 3.3Å
267F76.2Confident76.3Confident120 Ų12073.8 Ų73.853%0.52641%0.411SS..Hα-helixtrans-66.3-40.5175.8-79.9-72.1000112.4D263 A264 H265 L270 K271D263-F267 HydrophobicContact CB-CD2 4.37Å; D263-F267 HydrophobicContact CB-CE2 4.34Å; D263-F267 WeakPolarHBondContact O-CD2 2.76Å; D263-F267 PolarHBondContact O-N 3.4Å; A264-F267 PolarHBondContact O-N 3.44Å; H265-F267 VanDerWaalsContact C-N 3.33Å; H265-F267 PolarHBondContact O-N 2.95Å; F267-L270 PolarHBondContact O-N 3.25Å; F267-K271 WeakPolarHBondContact O-CB 3.18Å; F267-K271 PolarHBondContact O-N 3.02Å
268E79.1Confident76.1Confident78 Ų7871.4 Ų71.436%0.36440%0.396SS..Hα-helixtrans-61.3-43.8173.3-77.1-177.4-174.100111.7A264 H265 L270 K271 S272 T282A264-E268 WeakPolarHBondContact O-CG 3.29Å; A264-E268 PolarHBondContact O-N 3.41Å; H265-E268 PolarHBondContact O-N 2.63Å; E268-L270 PolarHBondContact O-N 2.69Å; E268-K271 PolarHBondContact O-N 2.9Å; E268-S272 WeakPolarHBondContact O-CB 3.06Å; E268-S272 PolarHBondContact O-N 3.49Å; E268-T282 HydrophobicContact CB-CG2 4.19Å
269L82.6Confident76.1Confident15 Ų1569.7 Ų69.78%0.07938%0.383CS..Hα-helixtrans-61.8-44.3175.8-178.664000111.9H265 I266 S272 K273 L286 F291H265-L269 WeakPolarHBondContact O-CB 3.19Å; H265-L269 PolarHBondContact O-N 3.31Å; I266-L269 PolarHBondContact O-N 3.48Å; L269-S272 PolarHBondContact O-N 3.05Å; L269-K273 WeakPolarHBondContact O-CG 3.35Å; L269-K273 PolarHBondContact O-N 3.36Å; L269-L286 HydrophobicContact CD1-CD2 3.9Å; L269-L286 HydrophobicContact CD1-CG 4.21Å; L269-F291 HydrophobicContact CD2-CD1 4.08Å
270L83.4Confident76.6Confident57 Ų5765 Ų6530%0.29835%0.35SS..Hα-helixtrans-66.9-43.7177.5-73.3172.4000111.8I266 F267 E268 S272 K273 L274 L360I266-L270 HydrophobicContact CG2-CD1 4.13Å; I266-L270 WeakPolarHBondContact O-CB 3.39Å; I266-L270 WeakPolarHBondContact O-CG 3.48Å; I266-L270 PolarHBondContact O-N 3.3Å; F267-L270 PolarHBondContact O-N 3.25Å; E268-L270 PolarHBondContact O-N 2.69Å; L270-S272 VanDerWaalsContact C-N 3.28Å; L270-S272 PolarHBondContact O-N 3.26Å; L270-K273 PolarHBondContact O-N 2.95Å; L270-L274 WeakPolarHBondContact O-CB 3.27Å; L270-L274 VanDerWaalsContact O-CG 3.31Å; L270-L274 WeakPolarHBondContact O-CG 3.32Å; L270-L274 PolarHBondContact O-N 2.63Å; L270-L360 HydrophobicContact CD2-CD1 4.12Å
271K82.6Confident77.4Confident93 Ų9362.6 Ų62.640%0.40433%0.334SS..Hα-helixtrans-57.1-45.9173.6175.4170.8-174.9-159.80110.1F267 E268 K273 L274 L275 E277F267-K271 WeakPolarHBondContact O-CB 3.18Å; F267-K271 PolarHBondContact O-N 3.02Å; E268-K271 PolarHBondContact O-N 2.9Å; K271-K273 VanDerWaalsContact C-N 3.33Å; K271-K273 PolarHBondContact O-N 2.84Å; K271-L274 PolarHBondContact O-N 3.32Å; K271-L275 HydrophobicContact CD-CD1 4.48Å; K271-L275 HydrophobicContact CG-CB 4.39Å; K271-L275 HydrophobicContact CG-CD1 3.87Å; K271-L275 WeakPolarHBondContact O-CA 3.28Å; K271-L275 VanDerWaalsContact O-CB 3.27Å; K271-L275 WeakPolarHBondContact O-CB 3.36Å; K271-L275 PolarHBondContact O-N 2.98Å; K271-E277 VanDerWaalsContact CE-CD 3.42Å; K271-E277 WeakPolarHBondContact CE-OE2 3.44Å; K271-E277 IonicContact NZ-OE1 3.73Å; K271-E277 IonicContact NZ-OE2 3.79Å; K271-E277 PolarHBondContact NZ-OE2 3.32Å
272S83Confident78.4Confident2 Ų257.7 Ų57.71%0.01430%0.304CS..Hα-helixtrans-62.6-39.5179.3-160.70000112.8E268 L269 L270 G276 E277 H278 L286E268-S272 WeakPolarHBondContact O-CB 3.06Å; E268-S272 PolarHBondContact O-N 3.49Å; L269-S272 PolarHBondContact O-N 3.05Å; L270-S272 VanDerWaalsContact C-N 3.28Å; L270-S272 PolarHBondContact O-N 3.26Å; S272-G276 VanDerWaalsContact O-CA 3.29Å; S272-G276 WeakPolarHBondContact O-CA 3.47Å; S272-G276 PolarHBondContact O-N 2.81Å; S272-G276 VanDerWaalsContact O-N 3.1Å; S272-E277 WeakPolarHBondContact CA-O 3.25Å; S272-E277 WeakPolarHBondContact CB-O 3.49Å; S272-E277 PolarHBondContact OG-O 2.93Å; S272-H278 PolarHBondContact OG-CE1 2.63Å; S272-H278 PolarHBondContact OG-ND1 3.4Å; S272-L286 WeakPolarHBondContact OG-CD1 3.39Å
273K84.8Confident79.5Confident27 Ų2754.7 Ų54.712%0.11729%0.287CS..Hα-helixtrans-72.7-35.6176.5-74.9-173.9177.3-177.30114.7L269 L270 K271 L286 F291 F293 L360L269-K273 WeakPolarHBondContact O-CG 3.35Å; L269-K273 PolarHBondContact O-N 3.36Å; L270-K273 PolarHBondContact O-N 2.95Å; K271-K273 VanDerWaalsContact C-N 3.33Å; K271-K273 PolarHBondContact O-N 2.84Å; K273-L286 HydrophobicContact CD-CD2 4.31Å; K273-L286 HydrophobicContact CG-CD2 3.7Å; K273-F291 WeakPolarHBondContact CE-O 3.33Å; K273-F291 PolarHBondContact NZ-O 3.36Å; K273-F293 HydrophobicContact CB-CZ 4.44Å; K273-L360 PolarHBondContact NZ-O 3.19Å
274L86.4Confident80.3Confident121 Ų12153.9 Ų53.963%0.63428%0.283SS*.Hα-helixtrans-94.3-32.3-173-64175.8000113L270 K271 L360L270-L274 WeakPolarHBondContact O-CB 3.27Å; L270-L274 VanDerWaalsContact O-CG 3.31Å; L270-L274 WeakPolarHBondContact O-CG 3.32Å; L270-L274 PolarHBondContact O-N 2.63Å; K271-L274 PolarHBondContact O-N 3.32Å; L274-L360 HydrophobicContact CD2-CD2 4.28Å
275L83.4Confident81Confident123 Ų12352.2 Ų52.264%0.64427%0.266SS*.Hα-helixtrans-110.3-13.3-176.3-61.6175.3000113.4K271 E277K271-L275 HydrophobicContact CD-CD1 4.48Å; K271-L275 HydrophobicContact CG-CB 4.39Å; K271-L275 HydrophobicContact CG-CD1 3.87Å; K271-L275 WeakPolarHBondContact O-CA 3.28Å; K271-L275 VanDerWaalsContact O-CB 3.27Å; K271-L275 WeakPolarHBondContact O-CB 3.36Å; K271-L275 PolarHBondContact O-N 2.98Å; L275-E277 VanDerWaalsContact C-N 3.3Å; L275-E277 PolarHBondContact O-N 3.09Å
276G79.4Confident81.6Confident45 Ų4552.7 Ų52.746%0.46427%0.269SS..  trans7612177.600000115.1S272 H278S272-G276 VanDerWaalsContact O-CA 3.29Å; S272-G276 WeakPolarHBondContact O-CA 3.47Å; S272-G276 PolarHBondContact O-N 2.81Å; S272-G276 VanDerWaalsContact O-N 3.1Å; G276-H278 PolarHBondContact O-CD2 2.9Å; G276-H278 VanDerWaalsContact O-CD2 3.26Å; G276-H278 PolarHBondContact O-NE2 3.13Å
277E75.7Confident81.9Confident108 Ų10849.7 Ų49.751%0.50526%0.256SS..  trans-83.6124.2172.8-70.2-179.5-146.500110.1K271 S272 L275K271-E277 VanDerWaalsContact CE-CD 3.42Å; K271-E277 WeakPolarHBondContact CE-OE2 3.44Å; K271-E277 IonicContact NZ-OE1 3.73Å; K271-E277 IonicContact NZ-OE2 3.79Å; K271-E277 PolarHBondContact NZ-OE2 3.32Å; S272-E277 WeakPolarHBondContact CA-O 3.25Å; S272-E277 WeakPolarHBondContact CB-O 3.49Å; S272-E277 PolarHBondContact OG-O 2.93Å; L275-E277 VanDerWaalsContact C-N 3.3Å; L275-E277 PolarHBondContact O-N 3.09Å
278H79.2Confident82.3Confident78 Ų7848.6 Ų48.636%0.36125%0.254SS..  trans-118.2133.4-175.9-55.4-65.8000111.4S272 G276 T282 Y283 L286S272-H278 PolarHBondContact OG-CE1 2.63Å; S272-H278 PolarHBondContact OG-ND1 3.4Å; G276-H278 PolarHBondContact O-CD2 2.9Å; G276-H278 VanDerWaalsContact O-CD2 3.26Å; G276-H278 PolarHBondContact O-NE2 3.13Å; H278-T282 WeakPolarHBondContact CA-OG1 3.16Å; H278-Y283 HydrophobicContact CB-CD1 4.49Å; H278-Y283 HydrophobicContact CB-CD2 4.14Å; H278-Y283 HydrophobicContact CB-CE1 3.86Å; H278-Y283 HydrophobicContact CB-CE2 3.5Å; H278-Y283 WeakPolarHBondContact CB-OH 3.47Å; H278-Y283 AromaticContact CD2-CZ 3.99Å; H278-Y283 PolarHBondContact CD2-OH 3.14Å; H278-Y283 AromaticContact CG-CE1 3.83Å; H278-Y283 AromaticContact CG-CZ 3.69Å; H278-L286 VanDerWaalsContact ND1-CD1 3.33Å; H278-L286 WeakPolarHBondContact ND1-CD1 3.46Å
279T81.1Confident82.5Confident48 Ų4849.7 Ų49.729%0.29427%0.266SS..  trans-108.7165.8165.367.10000110.1H281 T282 Y283T279-H281 PolarHBondContact O-N 3.38Å; T279-T282 PolarHBondContact N-OG1 3.01Å; T279-T282 PolarHBondContact O-N 3.33Å; T279-T282 PolarHBondContact O-OG1 3.08Å; T279-T282 WeakPolarHBondContact OG1-CG2 3.09Å; T279-T282 PolarHBondContact OG1-N 3.41Å; T279-Y283 WeakPolarHBondContact O-CD2 3.38Å; T279-Y283 PolarHBondContact O-N 3.28Å
280F82.4Confident82.5Confident1 Ų151.4 Ų51.40%0.00427%0.273CS..Hα-helixtrans-52-42.1173.3170.3-96000113.1Y283 L284 K483 Y486 A533 W534 E537F280-Y283 PolarHBondContact O-N 3.1Å; F280-L284 HydrophobicContact CD1-CD1 3.94Å; F280-L284 HydrophobicContact CE1-CD1 3.37Å; F280-L284 HydrophobicContact CE1-CG 4.43Å; F280-L284 HydrophobicContact CE2-CD1 4.49Å; F280-L284 HydrophobicContact CZ-CD1 3.68Å; F280-L284 HydrophobicContact CZ-CG 4.36Å; F280-L284 PolarHBondContact O-N 2.98Å; F280-K483 HydrophobicContact CD1-CG 4.24Å; F280-K483 HydrophobicContact CE1-CB 4.38Å; F280-K483 HydrophobicContact CE1-CG 4.3Å; F280-Y486 AromaticContact CZ-CD2 3.92Å; F280-Y486 HydrophobicContact CZ-CD2 3.92Å; F280-Y486 HydrophobicContact CZ-CG 4.12Å; F280-A533 HydrophobicContact CD2-CB 4.33Å; F280-W534 HydrophobicContact CD2-CD2 4.37Å; F280-W534 HydrophobicContact CD2-CG 4.44Å; F280-W534 AromaticContact CE2-CD1 3.78Å; F280-W534 HydrophobicContact CE2-CD2 4.37Å; F280-W534 AromaticContact CE2-CE2 3.73Å; F280-W534 HydrophobicContact CE2-CG 4.38Å; F280-W534 HydrophobicContact CE2-CZ2 4.23Å; F280-W534 AromaticContact CE2-NE1 3.34Å; F280-W534 VanDerWaalsContact CE2-NE1 3.34Å; F280-W534 HydrophobicContact CZ-CZ2 4.27Å; F280-W534 AromaticContact CZ-NE1 3.93Å; F280-E537 HydrophobicContact CB-CG 3.61Å; F280-E537 PolarHBondContact N-OE1 3.49Å; F280-E537 VanDerWaalsContact N-OE1 3.07Å
281H83.6Confident82.7Confident16 Ų1650.7 Ų50.77%0.07427%0.268CS..Hα-helixtrans-62.2-45176.3-60.6-58.4000111.4T279 Y283 L284 Y285 Y473T279-H281 PolarHBondContact O-N 3.38Å; H281-Y283 VanDerWaalsContact C-N 3.3Å; H281-Y283 PolarHBondContact O-N 2.8Å; H281-L284 WeakPolarHBondContact O-CB 3.4Å; H281-L284 PolarHBondContact O-N 3.46Å; H281-Y285 VanDerWaalsContact O-CD2 3.23Å; H281-Y285 WeakPolarHBondContact O-CD2 3.46Å; H281-Y285 PolarHBondContact O-N 2.98Å; H281-Y473 PolarHBondContact CE1-OH 2.99Å; H281-Y473 VanDerWaalsContact CE1-OH 3.26Å; H281-Y473 AromaticContact ND1-CE1 3.96Å; H281-Y473 AromaticContact ND1-CZ 3.65Å; H281-Y473 PolarHBondContact ND1-OH 3.02Å
282T82.6Confident82.9Confident2 Ų247.1 Ų47.11%0.01226%0.258CS..Hα-helixtrans-64.5-34.2178.663.90000112.5E268 H278 T279 Y285 L286E268-T282 HydrophobicContact CB-CG2 4.19Å; H278-T282 WeakPolarHBondContact CA-OG1 3.16Å; T279-T282 PolarHBondContact N-OG1 3.01Å; T279-T282 PolarHBondContact O-N 3.33Å; T279-T282 PolarHBondContact O-OG1 3.08Å; T279-T282 WeakPolarHBondContact OG1-CG2 3.09Å; T279-T282 PolarHBondContact OG1-N 3.41Å; T282-Y285 PolarHBondContact O-N 3.14Å; T282-L286 WeakPolarHBondContact O-CB 3.25Å; T282-L286 VanDerWaalsContact O-CG 3.28Å; T282-L286 WeakPolarHBondContact O-CG 3.48Å; T282-L286 PolarHBondContact O-N 3.25Å
283Y83Confident83.3Confident16 Ų1653 Ų536%0.06328%0.283CS..Hα-helixtrans-64.9-40.4176.2-80-54.4000112.5H278 T279 F280 H281 Y285 L286 C287 E527 A533 Y536H278-Y283 HydrophobicContact CB-CD1 4.49Å; H278-Y283 HydrophobicContact CB-CD2 4.14Å; H278-Y283 HydrophobicContact CB-CE1 3.86Å; H278-Y283 HydrophobicContact CB-CE2 3.5Å; H278-Y283 WeakPolarHBondContact CB-OH 3.47Å; H278-Y283 AromaticContact CD2-CZ 3.99Å; H278-Y283 PolarHBondContact CD2-OH 3.14Å; H278-Y283 AromaticContact CG-CE1 3.83Å; H278-Y283 AromaticContact CG-CZ 3.69Å; T279-Y283 WeakPolarHBondContact O-CD2 3.38Å; T279-Y283 PolarHBondContact O-N 3.28Å; F280-Y283 PolarHBondContact O-N 3.1Å; H281-Y283 VanDerWaalsContact C-N 3.3Å; H281-Y283 PolarHBondContact O-N 2.8Å; Y283-Y285 PolarHBondContact O-N 3.22Å; Y283-L286 PolarHBondContact O-N 2.89Å; Y283-C287 WeakPolarHBondContact O-CB 3.14Å; Y283-C287 PolarHBondContact O-N 3.42Å; Y283-C287 PolarHBondContact O-SG 2.98Å; Y283-E527 HydrophobicContact CD1-CB 4.24Å; Y283-E527 HydrophobicContact CD1-CG 4.3Å; Y283-E527 HydrophobicContact CE1-CB 3.54Å; Y283-E527 HydrophobicContact CE1-CG 3.7Å; Y283-A533 HydrophobicContact CD2-CB 3.99Å; Y283-A533 HydrophobicContact CG-CB 4.19Å; Y283-Y536 AromaticContact CE2-CD2 3.73Å; Y283-Y536 HydrophobicContact CE2-CD2 3.73Å; Y283-Y536 AromaticContact CE2-CE2 3.93Å; Y283-Y536 HydrophobicContact CE2-CE2 3.93Å; Y283-Y536 WeakPolarHBondContact OH-CE2 3.49Å
284L82.6Confident83.7Confident26 Ų2653 Ų5314%0.13628%0.284CS..Hα-helixtrans-54-37.1173.7-83.7156.1000112.3F280 H281 M288 M453 Y473 Y486 F530F280-L284 HydrophobicContact CD1-CD1 3.94Å; F280-L284 HydrophobicContact CE1-CD1 3.37Å; F280-L284 HydrophobicContact CE1-CG 4.43Å; F280-L284 HydrophobicContact CE2-CD1 4.49Å; F280-L284 HydrophobicContact CZ-CD1 3.68Å; F280-L284 HydrophobicContact CZ-CG 4.36Å; F280-L284 PolarHBondContact O-N 2.98Å; H281-L284 WeakPolarHBondContact O-CB 3.4Å; H281-L284 PolarHBondContact O-N 3.46Å; L284-M288 VanDerWaalsContact O-CG 3.3Å; L284-M288 WeakPolarHBondContact O-CG 3.38Å; L284-M453 HydrophobicContact CD2-CE 4.16Å; L284-Y473 HydrophobicContact CD1-CE1 3.92Å; L284-Y473 WeakPolarHBondContact CD1-OH 3.37Å; L284-Y486 HydrophobicContact CD2-CD2 4.18Å; L284-Y486 HydrophobicContact CD2-CE2 3.7Å; L284-F530 HydrophobicContact CD2-CE1 3.83Å
285Y82.2Confident84Confident14 Ų1449.6 Ų49.66%0.05527%0.27CS..Hα-helixtrans-81.3-54.8175.8-72.3-82.2000112.5H265 H281 T282 Y283 C287 M288 F291 Y473H265-Y285 AromaticContact CD2-CE2 3.58Å; H265-Y285 AromaticContact CE1-CD2 3.64Å; H265-Y285 AromaticContact CE1-CE1 3.58Å; H265-Y285 AromaticContact CE1-CE2 3.19Å; H265-Y285 WeakPolarHBondContact CE1-CE2 3.33Å; H265-Y285 AromaticContact CE1-CZ 3.09Å; H265-Y285 PolarHBondContact CE1-OH 3.4Å; H265-Y285 AromaticContact ND1-CZ 3.9Å; H265-Y285 AromaticContact NE2-CD2 3.06Å; H265-Y285 WeakPolarHBondContact NE2-CD2 3.28Å; H265-Y285 AromaticContact NE2-CE2 2.76Å; H265-Y285 WeakPolarHBondContact NE2-CE2 3.46Å; H265-Y285 AromaticContact NE2-CG 3.82Å; H265-Y285 AromaticContact NE2-CZ 3.25Å; H265-Y285 VanDerWaalsContact NE2-CZ 3.25Å; H281-Y285 VanDerWaalsContact O-CD2 3.23Å; H281-Y285 WeakPolarHBondContact O-CD2 3.46Å; H281-Y285 PolarHBondContact O-N 2.98Å; T282-Y285 PolarHBondContact O-N 3.14Å; Y283-Y285 PolarHBondContact O-N 3.22Å; Y285-C287 PolarHBondContact O-N 3.32Å; Y285-C287 VanDerWaalsContact O-N 3.14Å; Y285-M288 WeakPolarHBondContact O-CB 3.3Å; Y285-M288 PolarHBondContact O-N 2.82Å; Y285-F291 AromaticContact CD1-CD1 3.88Å; Y285-F291 HydrophobicContact CD1-CD1 3.88Å; Y285-F291 AromaticContact CD1-CD2 3.86Å; Y285-F291 HydrophobicContact CD1-CD2 3.86Å; Y285-F291 AromaticContact CD1-CE1 3.59Å; Y285-F291 HydrophobicContact CD1-CE1 3.59Å; Y285-F291 AromaticContact CD1-CE2 3.58Å; Y285-F291 HydrophobicContact CD1-CE2 3.58Å; Y285-F291 HydrophobicContact CD1-CG 4.01Å; Y285-F291 AromaticContact CD1-CZ 3.43Å; Y285-F291 HydrophobicContact CD1-CZ 3.43Å; Y285-F291 VanDerWaalsContact CD1-CZ 3.43Å; Y285-F291 AromaticContact CE1-CE1 3.97Å; Y285-F291 HydrophobicContact CE1-CE1 3.97Å; Y285-F291 HydrophobicContact CE1-CE2 4.13Å; Y285-F291 AromaticContact CE1-CZ 3.67Å; Y285-F291 HydrophobicContact CE1-CZ 3.67Å; Y285-F291 WeakPolarHBondContact O-CB 3.49Å; Y285-Y473 AromaticContact CE2-CD1 3.42Å; Y285-Y473 HydrophobicContact CE2-CD1 3.42Å; Y285-Y473 VanDerWaalsContact CE2-CD1 3.42Å; Y285-Y473 AromaticContact CE2-CE1 3.83Å; Y285-Y473 HydrophobicContact CE2-CE1 3.83Å; Y285-Y473 AromaticContact CZ-CD1 3.57Å; Y285-Y473 VanDerWaalsContact OH-CD1 3.3Å; Y285-Y473 WeakPolarHBondContact OH-CD1 3.29Å; Y285-Y473 PolarHBondContact OH-O 3.46Å
286L82.6Confident84.4Confident21 Ų2149.2 Ų49.211%0.1127%0.272CS..Hα-helixtrans-59.5-31.5-172.8-70.2174.6000112.5L269 S272 K273 H278 T282 Y283 M288 R525L269-L286 HydrophobicContact CD1-CD2 3.9Å; L269-L286 HydrophobicContact CD1-CG 4.21Å; S272-L286 WeakPolarHBondContact OG-CD1 3.39Å; K273-L286 HydrophobicContact CD-CD2 4.31Å; K273-L286 HydrophobicContact CG-CD2 3.7Å; H278-L286 VanDerWaalsContact ND1-CD1 3.33Å; H278-L286 WeakPolarHBondContact ND1-CD1 3.46Å; T282-L286 WeakPolarHBondContact O-CB 3.25Å; T282-L286 VanDerWaalsContact O-CG 3.28Å; T282-L286 WeakPolarHBondContact O-CG 3.48Å; T282-L286 PolarHBondContact O-N 3.25Å; Y283-L286 PolarHBondContact O-N 2.89Å; L286-M288 VanDerWaalsContact C-N 3.3Å; L286-R525 PolarHBondContact O-NH2 3.2Å
287C83.7Confident85Confident32 Ų3254.3 Ų54.322%0.21628%0.282CS..THydrogen-bonded Turntrans-76.8-15.8179.6-67.30000114.3Y283 Y285 C528Y283-C287 WeakPolarHBondContact O-CB 3.14Å; Y283-C287 PolarHBondContact O-N 3.42Å; Y283-C287 PolarHBondContact O-SG 2.98Å; Y285-C287 PolarHBondContact O-N 3.32Å; Y285-C287 VanDerWaalsContact O-N 3.14Å; C287-C528 WeakPolarHBondContact CA-SG 2.95Å; C287-C528 HydrophobicContact CB-CB 3.59Å; C287-C528 WeakPolarHBondContact CB-SG 3.3Å; C287-C528 WeakPolarHBondContact SG-CA 3.49Å; C287-C528 WeakPolarHBondContact SG-CB 3.32Å; C287-C528 CovalentContact SG-SG 2.04Å; C287-C528 PolarHBondContact SG-SG 3.27Å
288M84.5Confident85.9Confident98 Ų9849.7 Ų49.748%0.48326%0.261SS..SBendtrans-81.7131.6171.2-65.2-65.4-69.500110L284 Y285 L286 E290 F291 G292L284-M288 VanDerWaalsContact O-CG 3.3Å; L284-M288 WeakPolarHBondContact O-CG 3.38Å; Y285-M288 WeakPolarHBondContact O-CB 3.3Å; Y285-M288 PolarHBondContact O-N 2.82Å; L286-M288 VanDerWaalsContact C-N 3.3Å; M288-E290 PolarHBondContact O-N 2.99Å; M288-E290 VanDerWaalsContact O-N 3.11Å; M288-F291 HydrophobicContact CB-CD2 3.98Å; M288-F291 PolarHBondContact O-N 3.41Å; M288-F291 VanDerWaalsContact O-N 3.11Å; M288-G292 PolarHBondContact O-N 2.92Å
289V83.5Confident86.6Confident101 Ų10149.1 Ų49.161%0.61226%0.26SS*.G310 helixtrans-58.9-30.7-174.8179.40000111.5F291 G292 M362V289-F291 VanDerWaalsContact C-N 3.3Å; V289-F291 PolarHBondContact O-N 3.44Å; V289-G292 PolarHBondContact O-N 3.25Å; V289-G292 VanDerWaalsContact O-N 3.12Å; V289-M362 HydrophobicContact CG1-CE 3.97Å; V289-M362 WeakPolarHBondContact O-CE 3.35Å
290E83.9Confident87.3Confident50 Ų5050 Ų5023%0.23427%0.265CS..G310 helixtrans-66.4-28.7-178.7-60.286.9168.900114.1M288 R363M288-E290 PolarHBondContact O-N 2.99Å; M288-E290 VanDerWaalsContact O-N 3.11Å; E290-R363 HydrophobicContact CB-CB 4.38Å; E290-R363 WeakPolarHBondContact O-CB 3.45Å; E290-R363 PolarHBondContact O-N 3.01Å; E290-R363 VanDerWaalsContact O-N 3.08Å
291F86.8Confident87.8Confident42 Ų4251.1 Ų51.118%0.18427%0.27CS..G310 helixtrans-99.78.5175.2-56.9-90.7000112L269 K273 Y285 M288 V289 V361L269-F291 HydrophobicContact CD2-CD1 4.08Å; K273-F291 WeakPolarHBondContact CE-O 3.33Å; K273-F291 PolarHBondContact NZ-O 3.36Å; Y285-F291 AromaticContact CD1-CD1 3.88Å; Y285-F291 HydrophobicContact CD1-CD1 3.88Å; Y285-F291 AromaticContact CD1-CD2 3.86Å; Y285-F291 HydrophobicContact CD1-CD2 3.86Å; Y285-F291 AromaticContact CD1-CE1 3.59Å; Y285-F291 HydrophobicContact CD1-CE1 3.59Å; Y285-F291 AromaticContact CD1-CE2 3.58Å; Y285-F291 HydrophobicContact CD1-CE2 3.58Å; Y285-F291 HydrophobicContact CD1-CG 4.01Å; Y285-F291 AromaticContact CD1-CZ 3.43Å; Y285-F291 HydrophobicContact CD1-CZ 3.43Å; Y285-F291 VanDerWaalsContact CD1-CZ 3.43Å; Y285-F291 AromaticContact CE1-CE1 3.97Å; Y285-F291 HydrophobicContact CE1-CE1 3.97Å; Y285-F291 HydrophobicContact CE1-CE2 4.13Å; Y285-F291 AromaticContact CE1-CZ 3.67Å; Y285-F291 HydrophobicContact CE1-CZ 3.67Å; Y285-F291 WeakPolarHBondContact O-CB 3.49Å; M288-F291 HydrophobicContact CB-CD2 3.98Å; M288-F291 PolarHBondContact O-N 3.41Å; M288-F291 VanDerWaalsContact O-N 3.11Å; V289-F291 VanDerWaalsContact C-N 3.3Å; V289-F291 PolarHBondContact O-N 3.44Å; F291-V361 HydrophobicContact CD1-CG1 4.49Å
292G87.1Confident88.4Confident19 Ų1950.4 Ų50.420%0.19627%0.266CS..SBendtrans-69.2175.1169.900000112.7M288 V289 V361 M362M288-G292 PolarHBondContact O-N 2.92Å; V289-G292 PolarHBondContact O-N 3.25Å; V289-G292 VanDerWaalsContact O-N 3.12Å; G292-V361 CarbonylContact O-C 3.39Å; G292-V361 WeakPolarHBondContact O-CA 3.36Å; G292-M362 PolarHBondContact O-N 2.96Å
293F91.3Very high89Confident126 Ų12652.3 Ų52.355%0.55328%0.28SS*.PPolyproline II helixtrans-67160.9165.1-65.7-83.7000110.6K273 P295 G359 L360K273-F293 HydrophobicContact CB-CZ 4.44Å; F293-P295 WeakPolarHBondContact O-CD 3.34Å; F293-P295 VanDerWaalsContact O-N 3.14Å; F293-G359 WeakPolarHBondContact CA-O 3Å; F293-G359 VanDerWaalsContact CD1-O 3.32Å; F293-G359 WeakPolarHBondContact CD1-O 3.05Å; F293-L360 HydrophobicContact CE1-CD2 4.22Å
294L92.1Very high89.5Confident26 Ų2659.3 Ų59.314%0.13631%0.306CS..PPolyproline II helixtrans-57.4116.7175.6-172.568.3000110.5D298 I299 M302 G359 K365L294-D298 HydrophobicContact CD1-CB 4.13Å; L294-I299 HydrophobicContact CD2-CD1 4.14Å; L294-I299 HydrophobicContact CD2-CG1 3.69Å; L294-I299 HydrophobicContact CG-CD1 4.48Å; L294-I299 HydrophobicContact CG-CG1 4.09Å; L294-M302 HydrophobicContact CD2-CE 4.21Å; L294-G359 PolarHBondContact N-O 3.18Å; L294-K365 HydrophobicContact CD1-CB 3.98Å; L294-K365 HydrophobicContact CD1-CD 4.05Å
295P92.5Very high90Very high50 Ų5058.1 Ų58.133%0.32530%0.301SS..PPolyproline II helixtrans-70.6146.7-175.828.9-35.2000110.5F293 K297 D298 I299 M362F293-P295 WeakPolarHBondContact O-CD 3.34Å; F293-P295 VanDerWaalsContact O-N 3.14Å; P295-K297 PolarHBondContact O-N 3.43Å; P295-K297 VanDerWaalsContact O-N 3.15Å; P295-D298 WeakPolarHBondContact CD-OD2 3.45Å; P295-D298 HydrophobicContact CG-CB 4.2Å; P295-D298 WeakPolarHBondContact CG-OD2 3.37Å; P295-D298 PolarHBondContact O-N 2.67Å; P295-I299 PolarHBondContact O-N 2.96Å; P295-M362 HydrophobicContact CG-CG 4.17Å
296T92.9Very high90.6Very high115 Ų11560.4 Ų60.471%0.70631%0.313SS*.Hα-helixtrans-58-31.4179.952.80000112.6D298 I299 V300T296-D298 VanDerWaalsContact C-N 3.32Å; T296-D298 PolarHBondContact O-N 3.43Å; T296-I299 PolarHBondContact O-N 2.64Å; T296-V300 VanDerWaalsContact O-CG2 3.28Å; T296-V300 WeakPolarHBondContact O-CG2 3.42Å; T296-V300 PolarHBondContact O-N 2.93Å
297K92.9Very high91.3Very high152 Ų15259.4 Ų59.466%0.66131%0.308SS*.Hα-helixtrans-55.4-45.3174-175.8-174.5173.4-170.80112.1P295 V300 E301P295-K297 PolarHBondContact O-N 3.43Å; P295-K297 VanDerWaalsContact O-N 3.15Å; K297-V300 PolarHBondContact O-N 3.26Å; K297-E301 WeakPolarHBondContact O-CB 3.34Å; K297-E301 PolarHBondContact O-N 3Å
298D93Very high91.9Very high11 Ų1159.2 Ų59.26%0.05931%0.305CS..Hα-helixtrans-68.2-40.2-179.1-66.1-18.1000110.6Q175 L294 P295 T296 V300 E301 M302 K365Q175-D298 PolarHBondContact NE2-OD1 2.96Å; Q175-D298 PolarHBondContact OE1-OD1 3.22Å; Q175-D298 VanDerWaalsContact OE1-OD1 3.04Å; L294-D298 HydrophobicContact CD1-CB 4.13Å; P295-D298 WeakPolarHBondContact CD-OD2 3.45Å; P295-D298 HydrophobicContact CG-CB 4.2Å; P295-D298 WeakPolarHBondContact CG-OD2 3.37Å; P295-D298 PolarHBondContact O-N 2.67Å; T296-D298 VanDerWaalsContact C-N 3.32Å; T296-D298 PolarHBondContact O-N 3.43Å; D298-V300 VanDerWaalsContact C-N 3.34Å; D298-V300 PolarHBondContact O-N 2.8Å; D298-E301 PolarHBondContact O-N 3.23Å; D298-M302 HydrophobicContact CB-CE 4.26Å; D298-M302 WeakPolarHBondContact O-CB 3.38Å; D298-M302 WeakPolarHBondContact O-CE 3.27Å; D298-M302 VanDerWaalsContact O-CG 3.28Å; D298-M302 WeakPolarHBondContact O-CG 3.21Å; D298-M302 PolarHBondContact O-N 3.38Å; D298-K365 IonicContact OD1-NZ 3.57Å; D298-K365 PolarHBondContact OD1-NZ 3.33Å; D298-K365 WeakPolarHBondContact OD2-CD 3.44Å; D298-K365 IonicContact OD2-NZ 2.99Å; D298-K365 PolarHBondContact OD2-NZ 2.73Å
299I95.4Very high92.5Very high66 Ų6657.5 Ų57.534%0.33830%0.301SS..Hα-helixtrans-60.9-45.2175.3-59.7174.8000110.4L294 P295 T296 S303 L308L294-I299 HydrophobicContact CD2-CD1 4.14Å; L294-I299 HydrophobicContact CD2-CG1 3.69Å; L294-I299 HydrophobicContact CG-CD1 4.48Å; L294-I299 HydrophobicContact CG-CG1 4.09Å; P295-I299 PolarHBondContact O-N 2.96Å; T296-I299 PolarHBondContact O-N 2.64Å; I299-S303 VanDerWaalsContact O-CB 3.25Å; I299-S303 WeakPolarHBondContact O-CB 3.49Å; I299-S303 PolarHBondContact O-N 2.82Å; I299-S303 PolarHBondContact O-OG 3.3Å; I299-L308 HydrophobicContact CG2-CD2 3.91Å
300V95.3Very high93.1Very high67 Ų6753.4 Ų53.441%0.40628%0.278SS..Hα-helixtrans-63.6-42.7178.1170.20000110.9T296 K297 D298 S303 R304T296-V300 VanDerWaalsContact O-CG2 3.28Å; T296-V300 WeakPolarHBondContact O-CG2 3.42Å; T296-V300 PolarHBondContact O-N 2.93Å; K297-V300 PolarHBondContact O-N 3.26Å; D298-V300 VanDerWaalsContact C-N 3.34Å; D298-V300 PolarHBondContact O-N 2.8Å; V300-S303 PolarHBondContact O-N 2.8Å; V300-R304 HydrophobicContact CG1-CG 4.33Å; V300-R304 WeakPolarHBondContact O-CB 3.26Å; V300-R304 VanDerWaalsContact O-CG 3.31Å; V300-R304 WeakPolarHBondContact O-CG 3.41Å; V300-R304 PolarHBondContact O-N 2.84Å
301E93.3Very high93.7Very high23 Ų2351 Ų5111%0.10727%0.267CS..Hα-helixtrans-65.5-45.6179.4-173.6144.2-123.300112.3Q175 K297 D298 S303 R304 S305 Y412 H416Q175-E301 PolarHBondContact NE2-OE2 3.49Å; K297-E301 WeakPolarHBondContact O-CB 3.34Å; K297-E301 PolarHBondContact O-N 3Å; D298-E301 PolarHBondContact O-N 3.23Å; E301-S303 PolarHBondContact O-N 3.47Å; E301-R304 PolarHBondContact O-N 3.13Å; E301-S305 PolarHBondContact O-N 3.06Å; E301-S305 PolarHBondContact O-OG 2.9Å; E301-Y412 HydrophobicContact CG-CE1 4.2Å; E301-Y412 PolarHBondContact OE1-OH 3.1Å; E301-H416 IonicContact OE1-CD2 3.23Å; E301-H416 IonicContact OE1-NE2 3.67Å
302M94.9Very high94.2Very high1 Ų152.4 Ų52.41%0.00527%0.274CS..Hα-helixtrans-67.1-25.8174.4-65-177.8-67.200112.7Q175 L294 D298 S305 L307 L308 F368 T369 M372Q175-M302 HydrophobicContact CB-CG 4.36Å; Q175-M302 HydrophobicContact CB-SD 4.43Å; Q175-M302 HydrophobicContact CG-CG 4.26Å; L294-M302 HydrophobicContact CD2-CE 4.21Å; D298-M302 HydrophobicContact CB-CE 4.26Å; D298-M302 WeakPolarHBondContact O-CB 3.38Å; D298-M302 WeakPolarHBondContact O-CE 3.27Å; D298-M302 VanDerWaalsContact O-CG 3.28Å; D298-M302 WeakPolarHBondContact O-CG 3.21Å; D298-M302 PolarHBondContact O-N 3.38Å; M302-S305 PolarHBondContact O-OG 3.39Å; M302-L307 PolarHBondContact O-N 3.44Å; M302-L307 VanDerWaalsContact O-N 3.12Å; M302-L308 HydrophobicContact CB-CB 4.04Å; M302-L308 PolarHBondContact O-N 3.35Å; M302-F368 HydrophobicContact CE-CE1 4.4Å; M302-T369 HydrophobicContact SD-CG2 4.45Å; M302-M372 HydrophobicContact SD-CE 3.48Å; M302-M372 WeakPolarHBondContact SD-CE 3.46Å
303S95.3Very high94.6Very high43 Ų4356.3 Ų56.330%0.30129%0.286SS..Hα-helixtrans-76.6-42.2174-60.30000112.1I299 V300 E301 S305 L306I299-S303 VanDerWaalsContact O-CB 3.25Å; I299-S303 WeakPolarHBondContact O-CB 3.49Å; I299-S303 PolarHBondContact O-N 2.82Å; I299-S303 PolarHBondContact O-OG 3.3Å; V300-S303 PolarHBondContact O-N 2.8Å; E301-S303 PolarHBondContact O-N 3.47Å; S303-S305 VanDerWaalsContact C-N 3.33Å; S303-S305 PolarHBondContact O-N 3.25Å; S303-L306 WeakPolarHBondContact O-CA 3.45Å; S303-L306 PolarHBondContact O-N 3.4Å
304R93.4Very high94.7Very high162 Ų16250.6 Ų50.661%0.61126%0.262SS*.Hα-helixtrans-66.1-34.2176.9-76.2178.7178.4-176.8-0.3112.4V300 E301 L306 Y412V300-R304 HydrophobicContact CG1-CG 4.33Å; V300-R304 WeakPolarHBondContact O-CB 3.26Å; V300-R304 VanDerWaalsContact O-CG 3.31Å; V300-R304 WeakPolarHBondContact O-CG 3.41Å; V300-R304 PolarHBondContact O-N 2.84Å; E301-R304 PolarHBondContact O-N 3.13Å; R304-L306 PolarHBondContact O-N 2.96Å; R304-Y412 HydrophobicContact CB-CD1 4.45Å; R304-Y412 HydrophobicContact CB-CD2 3.93Å; R304-Y412 HydrophobicContact CB-CE1 4.3Å; R304-Y412 HydrophobicContact CB-CE2 3.76Å; R304-Y412 HydrophobicContact CB-CG 4.28Å; R304-Y412 HydrophobicContact CG-CE2 4.46Å
305S93.7Very high94.9Very high2 Ų250.9 Ų50.91%0.01426%0.263CS..THydrogen-bonded Turntrans-75.50.8172.873.10000114N172 E301 M302 S303 L307 M409N172-S305 WeakPolarHBondContact OD1-CB 3.32Å; N172-S305 PolarHBondContact OD1-OG 3.29Å; E301-S305 PolarHBondContact O-N 3.06Å; E301-S305 PolarHBondContact O-OG 2.9Å; M302-S305 PolarHBondContact O-OG 3.39Å; S303-S305 VanDerWaalsContact C-N 3.33Å; S303-S305 PolarHBondContact O-N 3.25Å; S305-L307 PolarHBondContact O-N 3.07Å; S305-L307 WeakPolarHBondContact OG-CB 3.44Å; S305-M409 WeakPolarHBondContact O-CE 3.49Å
306L95.9Very high95Very high61 Ų6153.8 Ų53.832%0.31928%0.275SS..THydrogen-bonded Turntrans606.1-173.8-60.3170.6000114.8S303 R304 A310 L408 M409S303-L306 WeakPolarHBondContact O-CA 3.45Å; S303-L306 PolarHBondContact O-N 3.4Å; R304-L306 PolarHBondContact O-N 2.96Å; L306-A310 WeakPolarHBondContact O-CB 3.44Å; L306-A310 PolarHBondContact O-N 2.92Å; L306-L408 HydrophobicContact CD1-CB 3.67Å; L306-M409 HydrophobicContact CB-CG 4.09Å
307L96.9Very high95Very high0 Ų048.7 Ų48.70%025%0.245CC..Hα-helixtrans-66.3-47.1-179.8-18061.6000111.4C168 N172 M302 S305 S311 T369 M372 M409C168-L307 HydrophobicContact CB-CD1 4.29Å; N172-L307 HydrophobicContact CB-CD2 4.01Å; M302-L307 PolarHBondContact O-N 3.44Å; M302-L307 VanDerWaalsContact O-N 3.12Å; S305-L307 PolarHBondContact O-N 3.07Å; S305-L307 WeakPolarHBondContact OG-CB 3.44Å; L307-S311 VanDerWaalsContact O-CB 3.23Å; L307-S311 WeakPolarHBondContact O-CB 3.46Å; L307-S311 PolarHBondContact O-N 3.2Å; L307-S311 PolarHBondContact O-OG 2.9Å; L307-T369 HydrophobicContact CD2-CG2 3.65Å; L307-M372 HydrophobicContact CD1-CB 3.88Å; L307-M372 HydrophobicContact CD2-CB 4.27Å; L307-M372 HydrophobicContact CD2-CE 4.1Å; L307-M372 HydrophobicContact CG-CB 3.93Å; L307-M372 HydrophobicContact CG-CE 4.29Å; L307-M372 HydrophobicContact CG-SD 4.45Å; L307-M409 HydrophobicContact CB-CE 3.9Å; L307-M409 HydrophobicContact CD1-CE 4.06Å
308L96.5Very high95Very high29 Ų2941.6 Ų41.615%0.15221%0.214CC..Hα-helixtrans-67.4-51-179.8-179.268.4000111.6I299 M302 A310 S311 M312 F368 M372I299-L308 HydrophobicContact CG2-CD2 3.91Å; M302-L308 HydrophobicContact CB-CB 4.04Å; M302-L308 PolarHBondContact O-N 3.35Å; L308-A310 PolarHBondContact O-N 3.04Å; L308-S311 PolarHBondContact O-N 3.46Å; L308-S311 PolarHBondContact O-OG 3.46Å; L308-M312 HydrophobicContact CD1-CG 4.04Å; L308-M312 HydrophobicContact CG-CG 4.4Å; L308-M312 WeakPolarHBondContact O-CB 3.48Å; L308-M312 VanDerWaalsContact O-CG 3.22Å; L308-M312 WeakPolarHBondContact O-CG 3.32Å; L308-M312 PolarHBondContact O-N 2.99Å; L308-F368 HydrophobicContact CD1-CE1 4.45Å; L308-F368 HydrophobicContact CD1-CZ 4.07Å; L308-M372 HydrophobicContact CB-SD 4.41Å; L308-M372 HydrophobicContact CD1-SD 3.74Å
309P96.2Very high94.9Very high62 Ų6247.3 Ų47.340%0.40324%0.239SC..Hα-helixtrans-58.2-43.4175.6-26.132.7000113.9F313P309-F313 WeakPolarHBondContact O-CB 3.15Å; P309-F313 PolarHBondContact O-N 3.25Å
310A96Very high94.7Very high15 Ų1549.1 Ų49.112%0.12424%0.244CC..Hα-helixtrans-66.5-44.5-179.400000112L306 L308 F313 V314 L405L306-A310 WeakPolarHBondContact O-CB 3.44Å; L306-A310 PolarHBondContact O-N 2.92Å; L308-A310 PolarHBondContact O-N 3.04Å; A310-F313 PolarHBondContact O-N 3.19Å; A310-V314 WeakPolarHBondContact O-CG2 3.29Å; A310-V314 PolarHBondContact O-N 2.97Å; A310-L405 HydrophobicContact CB-CD1 4.15Å; A310-L405 HydrophobicContact CB-CD2 4.24Å
311S96.9Very high94.3Very high0 Ų046 Ų460%023%0.225CC..Hα-helixtrans-65.8-40.2177.960.70000111.8L307 L308 V314 L315 M372 I375L307-S311 VanDerWaalsContact O-CB 3.23Å; L307-S311 WeakPolarHBondContact O-CB 3.46Å; L307-S311 PolarHBondContact O-N 3.2Å; L307-S311 PolarHBondContact O-OG 2.9Å; L308-S311 PolarHBondContact O-N 3.46Å; L308-S311 PolarHBondContact O-OG 3.46Å; S311-V314 PolarHBondContact O-N 3.49Å; S311-L315 WeakPolarHBondContact O-CB 3.29Å; S311-L315 PolarHBondContact O-N 3.29Å; S311-M372 WeakPolarHBondContact OG-CG 3.41Å; S311-M372 PolarHBondContact OG-SD 2.85Å; S311-I375 WeakPolarHBondContact O-CD1 3.12Å
312M96.3Very high93.8Very high70 Ų7048.8 Ų48.835%0.34524%0.237SC..Hα-helixtrans-65.1-40174.1-68.4-56.6-66.100112.3L308 V314 L315 L316L308-M312 HydrophobicContact CD1-CG 4.04Å; L308-M312 HydrophobicContact CG-CG 4.4Å; L308-M312 WeakPolarHBondContact O-CB 3.48Å; L308-M312 VanDerWaalsContact O-CG 3.22Å; L308-M312 WeakPolarHBondContact O-CG 3.32Å; L308-M312 PolarHBondContact O-N 2.99Å; M312-V314 PolarHBondContact O-N 3.38Å; M312-L315 HydrophobicContact CE-CD2 4.38Å; M312-L315 PolarHBondContact O-N 3.49Å; M312-L315 HydrophobicContact SD-CD2 4.29Å; M312-L316 WeakPolarHBondContact O-CG 3.35Å; M312-L316 PolarHBondContact O-N 3.39Å
313F95.3Very high93.2Very high102 Ų10250.8 Ų50.845%0.44725%0.25SC..Hα-helixtrans-60.7-44.8173.6178-96.1000111.6P309 A310 L315 L316 A317P309-F313 WeakPolarHBondContact O-CB 3.15Å; P309-F313 PolarHBondContact O-N 3.25Å; A310-F313 PolarHBondContact O-N 3.19Å; F313-L315 VanDerWaalsContact C-N 3.35Å; F313-L315 PolarHBondContact O-N 3.26Å; F313-L316 PolarHBondContact O-N 3.49Å; F313-A317 VanDerWaalsContact O-CB 3.27Å; F313-A317 WeakPolarHBondContact O-CB 3.33Å; F313-A317 PolarHBondContact O-N 3.2Å
314V94.6Very high92.5Very high6 Ų651.2 Ų51.24%0.03625%0.25CS..Hα-helixtrans-63.6-40176.2171.20000111.6A310 S311 M312 A317 A318 I375 L378 V379A310-V314 WeakPolarHBondContact O-CG2 3.29Å; A310-V314 PolarHBondContact O-N 2.97Å; S311-V314 PolarHBondContact O-N 3.49Å; M312-V314 PolarHBondContact O-N 3.38Å; V314-A317 PolarHBondContact O-N 3.48Å; V314-A318 WeakPolarHBondContact O-CB 3.16Å; V314-A318 PolarHBondContact O-N 3.05Å; V314-I375 HydrophobicContact CB-CD1 4.15Å; V314-I375 HydrophobicContact CG1-CB 4.21Å; V314-I375 HydrophobicContact CG1-CD1 4.11Å; V314-L378 HydrophobicContact CG1-CB 4.13Å; V314-L378 HydrophobicContact CG1-CD1 3.71Å; V314-V379 HydrophobicContact CG2-CG1 4.4Å
315L95.5Very high91.5Very high32 Ų3244 Ų4417%0.16823%0.225CC..Hα-helixtrans-61.7-45.6176.5-17465.9000111.5S311 M312 F313 A318 F319 C348S311-L315 WeakPolarHBondContact O-CB 3.29Å; S311-L315 PolarHBondContact O-N 3.29Å; M312-L315 HydrophobicContact CE-CD2 4.38Å; M312-L315 PolarHBondContact O-N 3.49Å; M312-L315 HydrophobicContact SD-CD2 4.29Å; F313-L315 VanDerWaalsContact C-N 3.35Å; F313-L315 PolarHBondContact O-N 3.26Å; L315-A318 PolarHBondContact O-N 3.2Å; L315-F319 PolarHBondContact O-N 2.89Å; L315-C348 HydrophobicContact CD1-CB 3.57Å
316L95.4Very high90.3Very high111 Ų11147 Ų4758%0.58124%0.243SC*.Hα-helixtrans-65.7-38.3175.4-68.9173.3000112.1M312 F313 F319 K320M312-L316 WeakPolarHBondContact O-CG 3.35Å; M312-L316 PolarHBondContact O-N 3.39Å; F313-L316 PolarHBondContact O-N 3.49Å; L316-F319 PolarHBondContact O-N 2.95Å; L316-K320 WeakPolarHBondContact O-CB 3.28Å; L316-K320 PolarHBondContact O-N 3.48Å
317A93.6Very high89.1Confident8 Ų850.2 Ų50.27%0.06626%0.26CS..Hα-helixtrans-63.5-43.6175.300000111.6F313 V314 K320 V321 F384 V388F313-A317 VanDerWaalsContact O-CB 3.27Å; F313-A317 WeakPolarHBondContact O-CB 3.33Å; F313-A317 PolarHBondContact O-N 3.2Å; V314-A317 PolarHBondContact O-N 3.48Å; A317-K320 WeakPolarHBondContact O-CB 3.4Å; A317-K320 PolarHBondContact O-N 3.18Å; A317-V321 WeakPolarHBondContact O-CG2 3.28Å; A317-V321 PolarHBondContact O-N 3.4Å; A317-F384 HydrophobicContact CB-CE1 4.48Å; A317-F384 HydrophobicContact CB-CZ 4.25Å; A317-V388 HydrophobicContact CB-CG1 3.83Å; A317-V388 HydrophobicContact CB-CG2 3.78Å
318A92.4Very high87.6Confident2 Ų258 Ų582%0.01729%0.294CS..Hα-helixtrans-62.5-43174.100000111.4V314 L315 V321 F322 V344 Y345 F384V314-A318 WeakPolarHBondContact O-CB 3.16Å; V314-A318 PolarHBondContact O-N 3.05Å; L315-A318 PolarHBondContact O-N 3.2Å; A318-V321 PolarHBondContact O-N 3.3Å; A318-F322 PolarHBondContact O-N 3.43Å; A318-V344 HydrophobicContact CB-CG1 4.12Å; A318-Y345 WeakPolarHBondContact O-CE1 3.37Å; A318-F384 HydrophobicContact CB-CE2 4.25Å; A318-F384 HydrophobicContact CB-CZ 4.12Å
319F91Very high85.6Confident131 Ų13159.3 Ų59.358%0.57530%0.303SS*.Hα-helixtrans-61.9-43.5175.2-176.9-108.6000112.2L315 L316 V321 F322 V323L315-F319 PolarHBondContact O-N 2.89Å; L316-F319 PolarHBondContact O-N 2.95Å; F319-V321 PolarHBondContact O-N 3.27Å; F319-F322 WeakPolarHBondContact O-CB 3.43Å; F319-F322 PolarHBondContact O-N 3Å; F319-V323 HydrophobicContact CD1-CG2 4.24Å; F319-V323 HydrophobicContact CD2-CG2 4.37Å; F319-V323 HydrophobicContact CE1-CG2 3.83Å; F319-V323 HydrophobicContact CE2-CG2 3.96Å; F319-V323 HydrophobicContact CZ-CG2 3.67Å; F319-V323 WeakPolarHBondContact O-CG2 3.4Å; F319-V323 PolarHBondContact O-N 3.14Å
320K89.6Confident83.5Confident105 Ų10559 Ų5946%0.45731%0.311SS..Hα-helixtrans-56.3-51.3174.1179.6-169.1175.5-173.90111.1L316 A317 F322 V323 T324 V388L316-K320 WeakPolarHBondContact O-CB 3.28Å; L316-K320 PolarHBondContact O-N 3.48Å; A317-K320 WeakPolarHBondContact O-CB 3.4Å; A317-K320 PolarHBondContact O-N 3.18Å; K320-F322 VanDerWaalsContact C-N 3.27Å; K320-F322 PolarHBondContact O-N 2.94Å; K320-V323 PolarHBondContact O-N 3.23Å; K320-T324 HydrophobicContact CG-CG2 4.35Å; K320-T324 WeakPolarHBondContact O-CG2 3.33Å; K320-T324 PolarHBondContact O-N 2.82Å; K320-T324 PolarHBondContact O-OG1 3.22Å; K320-T324 VanDerWaalsContact O-OG1 3.08Å; K320-V388 PolarHBondContact NZ-O 2.99Å
321V86.9Confident81.1Confident0 Ų067.8 Ų67.80%035%0.346CS..Hα-helixtrans-60.2-38.7179.5173.70000111.1A317 A318 F319 T324 S325 Y341 F384 D387 V388A317-V321 WeakPolarHBondContact O-CG2 3.28Å; A317-V321 PolarHBondContact O-N 3.4Å; A318-V321 PolarHBondContact O-N 3.3Å; F319-V321 PolarHBondContact O-N 3.27Å; V321-T324 PolarHBondContact O-OG1 3.16Å; V321-S325 WeakPolarHBondContact O-CB 3.41Å; V321-S325 PolarHBondContact O-N 3.02Å; V321-S325 PolarHBondContact O-OG 2.6Å; V321-Y341 HydrophobicContact CG1-CD2 4.14Å; V321-Y341 HydrophobicContact CG1-CE2 4.27Å; V321-F384 HydrophobicContact CG2-CE2 4.49Å; V321-D387 HydrophobicContact CG1-CB 4.23Å; V321-D387 HydrophobicContact CG2-CB 4.11Å; V321-V388 HydrophobicContact CG2-CB 4.38Å; V321-V388 HydrophobicContact CG2-CG2 3.55Å
322F84Confident78.5Confident82 Ų8271 Ų7136%0.3638%0.38SS..Hα-helixtrans-62.3-49.4175.2179.1-99.1000112.2A318 F319 K320 S325 T326 I338 Y345A318-F322 PolarHBondContact O-N 3.43Å; F319-F322 WeakPolarHBondContact O-CB 3.43Å; F319-F322 PolarHBondContact O-N 3Å; K320-F322 VanDerWaalsContact C-N 3.27Å; K320-F322 PolarHBondContact O-N 2.94Å; F322-S325 PolarHBondContact O-N 3.3Å; F322-T326 WeakPolarHBondContact O-CB 3.23Å; F322-T326 PolarHBondContact O-N 3.49Å; F322-T326 PolarHBondContact O-OG1 3.29Å; F322-I338 HydrophobicContact CE2-CD1 4.42Å; F322-Y345 WeakPolarHBondContact CA-OH 3.31Å; F322-Y345 HydrophobicContact CB-CD1 4.44Å; F322-Y345 HydrophobicContact CB-CE1 3.67Å; F322-Y345 HydrophobicContact CD2-CE1 4.18Å; F322-Y345 HydrophobicContact CD2-CE2 4.16Å; F322-Y345 AromaticContact CD2-CZ 3.97Å; F322-Y345 HydrophobicContact CG-CE1 4.37Å; F322-Y345 PolarHBondContact N-OH 3.35Å
323V82.1Confident75.9Confident44 Ų4470.8 Ų70.827%0.26739%0.385SS..Hα-helixtrans-64.8-46.7-178.8172.80000111F319 K320 S325 T326 L327F319-V323 HydrophobicContact CD1-CG2 4.24Å; F319-V323 HydrophobicContact CD2-CG2 4.37Å; F319-V323 HydrophobicContact CE1-CG2 3.83Å; F319-V323 HydrophobicContact CE2-CG2 3.96Å; F319-V323 HydrophobicContact CZ-CG2 3.67Å; F319-V323 WeakPolarHBondContact O-CG2 3.4Å; F319-V323 PolarHBondContact O-N 3.14Å; K320-V323 PolarHBondContact O-N 3.23Å; V323-S325 VanDerWaalsContact C-N 3.33Å; V323-S325 PolarHBondContact O-N 3.04Å; V323-T326 PolarHBondContact O-N 3.47Å; V323-L327 HydrophobicContact CG1-CD1 3.55Å; V323-L327 HydrophobicContact CG1-CG 4.21Å; V323-L327 WeakPolarHBondContact O-CB 3.38Å; V323-L327 PolarHBondContact O-N 3.44Å
324T79.7Confident73.3Confident52 Ų5272.5 Ų72.532%0.31940%0.404SS..Hα-helixtrans-62.4-42.918054.20000111.6K320 V321 T326 F328K320-T324 HydrophobicContact CG-CG2 4.35Å; K320-T324 WeakPolarHBondContact O-CG2 3.33Å; K320-T324 PolarHBondContact O-N 2.82Å; K320-T324 PolarHBondContact O-OG1 3.22Å; K320-T324 VanDerWaalsContact O-OG1 3.08Å; V321-T324 PolarHBondContact O-OG1 3.16Å; T324-T326 VanDerWaalsContact C-N 3.31Å; T324-T326 PolarHBondContact O-N 2.85Å; T324-F328 PolarHBondContact O-N 3.45Å; T324-F328 VanDerWaalsContact O-N 3.09Å
325S72.2Confident70.9Confident10 Ų1081.9 Ų81.97%0.0744%0.439CS..Hα-helixtrans-67.1-29.1177.3-59.80000113.4V321 F322 V323 T329V321-S325 WeakPolarHBondContact O-CB 3.41Å; V321-S325 PolarHBondContact O-N 3.02Å; V321-S325 PolarHBondContact O-OG 2.6Å; F322-S325 PolarHBondContact O-N 3.3Å; V323-S325 VanDerWaalsContact C-N 3.33Å; V323-S325 PolarHBondContact O-N 3.04Å; S325-T329 WeakPolarHBondContact O-CB 3.41Å; S325-T329 PolarHBondContact O-OG1 2.6Å
326T68.9Low68.5Low64 Ų6487.9 Ų87.939%0.39346%0.459SS..Hα-helixtrans-87.9-38.8-178.2-54.20000112.3F322 V323 T324F322-T326 WeakPolarHBondContact O-CB 3.23Å; F322-T326 PolarHBondContact O-N 3.49Å; F322-T326 PolarHBondContact O-OG1 3.29Å; V323-T326 PolarHBondContact O-N 3.47Å; T324-T326 VanDerWaalsContact C-N 3.31Å; T324-T326 PolarHBondContact O-N 2.85Å
327L70.1Confident66.4Low129 Ų12984 Ų8468%0.67544%0.44SS*.Hα-helixtrans-90.7-41.2-173.7-66.4-179.9000114V323V323-L327 HydrophobicContact CG1-CD1 3.55Å; V323-L327 HydrophobicContact CG1-CG 4.21Å; V323-L327 WeakPolarHBondContact O-CB 3.38Å; V323-L327 PolarHBondContact O-N 3.44Å
328F65.7Low64.6Low165 Ų16585.8 Ų85.872%0.72445%0.448SS*.SBendtrans-98.7-8.2-169.1-66.9-83.4000114.3T324 G330T324-F328 PolarHBondContact O-N 3.45Å; T324-F328 VanDerWaalsContact O-N 3.09Å; F328-G330 PolarHBondContact O-N 3.41Å
329T55.6Low63.1Low56 Ų5693.1 Ų93.134%0.34448%0.476SS..  trans-75.797.1178.8-39.10000109.7S325S325-T329 WeakPolarHBondContact O-CB 3.41Å; S325-T329 PolarHBondContact O-OG1 2.6Å
330G50.8Low62.1Low54 Ų5490.9 Ų90.956%0.55748%0.476SS*.  trans-54.9154176.500000112.9F328 G332 S333F328-G330 PolarHBondContact O-N 3.41Å; G330-G332 PolarHBondContact O-N 2.78Å; G330-S333 PolarHBondContact O-N 2.92Å
331K45.6Very low61.7Low201 Ų20186.5 Ų86.587%0.87446%0.457SS*.THydrogen-bonded Turntrans-44.2-10.6-172.3-80.8175.6174.7174.30117.7
332G43Very low61.6Low68 Ų6888 Ų8870%0.70147%0.47SS*.THydrogen-bonded Turntrans-109.9-8.2-173.200000117.1G330 T334G330-G332 PolarHBondContact O-N 2.78Å; G332-T334 PolarHBondContact O-N 3.37Å
333S42.1Very low61.7Low64 Ų6484.4 Ų84.445%0.44846%0.455SS..  trans-83.9102.9177.1-167.40000110.5G330 R335G330-S333 PolarHBondContact O-N 2.92Å; S333-R335 PolarHBondContact O-N 3.18Å
334T41.4Very low62.1Low139 Ų13982.6 Ų82.685%0.85344%0.444SS*.  trans-67.1-8.8176.445.20000113.6G332 W336G332-T334 PolarHBondContact O-N 3.37Å; T334-W336 PolarHBondContact O-N 3.08Å
335R42.6Very low62.6Low203 Ų20381.5 Ų81.577%0.76643%0.434SS*.  trans-9980.6-179.7-159.4170.6-166.5156.42.1110.2S333 P337S333-R335 PolarHBondContact O-N 3.18Å; R335-P337 WeakPolarHBondContact O-CD 3.34Å; R335-P337 VanDerWaalsContact O-N 3.14Å
336W45.8Very low63.4Low157 Ų15784.1 Ų84.160%0.59544%0.443SS*.  trans-61.3108170.7-71.279.4000109.7T334 I338 R339T334-W336 PolarHBondContact O-N 3.08Å; W336-I338 HydrophobicContact CE3-CD1 3.91Å; W336-I338 HydrophobicContact CZ3-CD1 4.22Å; W336-I338 PolarHBondContact O-N 2.88Å; W336-I338 VanDerWaalsContact O-N 3.1Å; W336-R339 PolarHBondContact O-N 3.11Å; W336-R339 VanDerWaalsContact O-N 3.14Å
337P51.2Low64.5Low29 Ų2981.1 Ų81.119%0.18842%0.424CS..Hα-helixtrans-61.5-23.5179.7-17.130.7000111.7R335 R339 S340 Y341R335-P337 WeakPolarHBondContact O-CD 3.34Å; R335-P337 VanDerWaalsContact O-N 3.14Å; P337-R339 PolarHBondContact O-N 3.35Å; P337-R339 VanDerWaalsContact O-N 3.1Å; P337-S340 WeakPolarHBondContact O-CB 3.5Å; P337-S340 PolarHBondContact O-N 3.44Å; P337-Y341 PolarHBondContact O-N 3.44Å
338I55.4Low65.7Low46 Ų4675.4 Ų75.424%0.23640%0.395CS..Hα-helixtrans-51.9-34.9176.7-56.4177.6000111.8F322 W336 A342 Y345F322-I338 HydrophobicContact CE2-CD1 4.42Å; W336-I338 HydrophobicContact CE3-CD1 3.91Å; W336-I338 HydrophobicContact CZ3-CD1 4.22Å; W336-I338 PolarHBondContact O-N 2.88Å; W336-I338 VanDerWaalsContact O-N 3.1Å; I338-A342 PolarHBondContact O-N 3.42Å; I338-Y345 HydrophobicContact CG2-CE2 4.22Å
339R60.5Low66.9Low157 Ų15772.7 Ų72.759%0.59239%0.387SS*.Hα-helixtrans-68.2-36.8176.2-83.7-172.6175.9174.11.8112.9R214 W336 P337 Y341R214-R339 VanDerWaalsContact NH2-CZ 3.3Å; W336-R339 PolarHBondContact O-N 3.11Å; W336-R339 VanDerWaalsContact O-N 3.14Å; P337-R339 PolarHBondContact O-N 3.35Å; P337-R339 VanDerWaalsContact O-N 3.1Å; R339-Y341 VanDerWaalsContact C-N 3.31Å; R339-Y341 PolarHBondContact O-N 3.26Å
340S70.1Confident68.7Low83 Ų8371.1 Ų71.158%0.5838%0.376SS*.Hα-helixtrans-71-28-179-66.20000112.4P337P337-S340 WeakPolarHBondContact O-CB 3.5Å; P337-S340 PolarHBondContact O-N 3.44Å
341Y82.5Confident70.9Confident13 Ų1368.7 Ų68.75%0.05135%0.35CS..THydrogen-bonded Turntrans-109.116-178-61.1-61.3000114.4V321 P337 R339 A343 V344 Y345 T383 F384 D387V321-Y341 HydrophobicContact CG1-CD2 4.14Å; V321-Y341 HydrophobicContact CG1-CE2 4.27Å; P337-Y341 PolarHBondContact O-N 3.44Å; R339-Y341 VanDerWaalsContact C-N 3.31Å; R339-Y341 PolarHBondContact O-N 3.26Å; Y341-A343 VanDerWaalsContact C-N 3.27Å; Y341-A343 PolarHBondContact O-N 3.02Å; Y341-V344 HydrophobicContact CD1-CG2 4.08Å; Y341-V344 WeakPolarHBondContact O-CA 3.1Å; Y341-V344 WeakPolarHBondContact O-CB 3.46Å; Y341-V344 PolarHBondContact O-N 2.89Å; Y341-Y345 WeakPolarHBondContact O-CD2 3.34Å; Y341-Y345 PolarHBondContact O-N 3.1Å; Y341-T383 PolarHBondContact OH-O 2.79Å; Y341-T383 PolarHBondContact OH-OG1 2.71Å; Y341-F384 HydrophobicContact CD1-CD2 4.1Å; Y341-F384 HydrophobicContact CE1-CB 3.93Å; Y341-F384 AromaticContact CE1-CD2 3.96Å; Y341-F384 HydrophobicContact CE1-CD2 3.96Å; Y341-F384 HydrophobicContact CE1-CG 4.45Å; Y341-F384 WeakPolarHBondContact OH-CA 3.4Å; Y341-F384 PolarHBondContact OH-N 2.75Å; Y341-D387 VanDerWaalsContact CE2-OD2 3.27Å; Y341-D387 WeakPolarHBondContact CE2-OD2 3.36Å; Y341-D387 PolarHBondContact OH-OD2 3.39Å
342A83.2Confident73.2Confident33 Ų3361.4 Ų61.427%0.27332%0.324SS..Hα-helixtrans-54.5-42.1-179.200000112.9V205 I338 Y345 Y346V205-A342 HydrophobicContact CG1-CB 3.74Å; I338-A342 PolarHBondContact O-N 3.42Å; A342-Y345 PolarHBondContact O-N 2.74Å; A342-Y346 WeakPolarHBondContact O-CB 3.34Å; A342-Y346 PolarHBondContact O-N 3.15Å
343A87.2Confident75.7Confident6 Ų661.4 Ų61.45%0.0531%0.313CS..Hα-helixtrans-64.2-39.2175.700000112.4L155 T202 V205 K206 Y341 Y346 T347L155-A343 HydrophobicContact CD1-CB 4.45Å; T202-A343 HydrophobicContact CG2-CB 3.87Å; V205-A343 HydrophobicContact CG1-CB 4.39Å; K206-A343 HydrophobicContact CB-CB 3.94Å; K206-A343 HydrophobicContact CG-CB 4.44Å; Y341-A343 VanDerWaalsContact C-N 3.27Å; Y341-A343 PolarHBondContact O-N 3.02Å; A343-Y346 PolarHBondContact O-N 3.4Å; A343-T347 PolarHBondContact O-N 2.83Å; A343-T347 PolarHBondContact O-OG1 3.41Å
344V90.9Very high78.2Confident6 Ų659.1 Ų59.14%0.03630%0.295CS..Hα-helixtrans-62.6-49.6176.2176.20000110.8L155 A318 Y341 Y346 T347 C348 L378 F384L155-V344 HydrophobicContact CD1-CG2 3.9Å; A318-V344 HydrophobicContact CB-CG1 4.12Å; Y341-V344 HydrophobicContact CD1-CG2 4.08Å; Y341-V344 WeakPolarHBondContact O-CA 3.1Å; Y341-V344 WeakPolarHBondContact O-CB 3.46Å; Y341-V344 PolarHBondContact O-N 2.89Å; V344-Y346 VanDerWaalsContact C-N 3.32Å; V344-Y346 PolarHBondContact O-N 3.24Å; V344-T347 PolarHBondContact O-N 3.02Å; V344-C348 WeakPolarHBondContact O-CB 3.3Å; V344-C348 PolarHBondContact O-N 3.35Å; V344-C348 PolarHBondContact O-SG 3.37Å; V344-L378 HydrophobicContact CG1-CD1 3.65Å; V344-L378 HydrophobicContact CG2-CD1 4.21Å; V344-L378 HydrophobicContact CG2-CD2 3.8Å; V344-F384 HydrophobicContact CG1-CE2 4.23Å
345Y89.3Confident80.8Confident28 Ų2855.5 Ų55.511%0.1127%0.27CS..Hα-helixtrans-62.7-41178.3-58.6-47.4000112.1A318 F322 I338 Y341 A342 C348 I349A318-Y345 WeakPolarHBondContact O-CE1 3.37Å; F322-Y345 WeakPolarHBondContact CA-OH 3.31Å; F322-Y345 HydrophobicContact CB-CD1 4.44Å; F322-Y345 HydrophobicContact CB-CE1 3.67Å; F322-Y345 HydrophobicContact CD2-CE1 4.18Å; F322-Y345 HydrophobicContact CD2-CE2 4.16Å; F322-Y345 AromaticContact CD2-CZ 3.97Å; F322-Y345 HydrophobicContact CG-CE1 4.37Å; F322-Y345 PolarHBondContact N-OH 3.35Å; I338-Y345 HydrophobicContact CG2-CE2 4.22Å; Y341-Y345 WeakPolarHBondContact O-CD2 3.34Å; Y341-Y345 PolarHBondContact O-N 3.1Å; A342-Y345 PolarHBondContact O-N 2.74Å; Y345-C348 PolarHBondContact O-N 3.48Å; Y345-I349 VanDerWaalsContact O-CG1 3.25Å; Y345-I349 WeakPolarHBondContact O-CG1 3.45Å; Y345-I349 PolarHBondContact O-N 3.25Å
346Y88.6Confident83.2Confident66 Ų6650.3 Ų50.326%0.25926%0.261SS..Hα-helixtrans-57.5-50.6174.9176.5-104000111.5L201 A342 A343 V344 C348 I349 Q350L201-Y346 HydrophobicContact CD2-CE2 4.4Å; L201-Y346 WeakPolarHBondContact CD2-OH 3.45Å; L201-Y346 HydrophobicContact CG-CE1 4.46Å; A342-Y346 WeakPolarHBondContact O-CB 3.34Å; A342-Y346 PolarHBondContact O-N 3.15Å; A343-Y346 PolarHBondContact O-N 3.4Å; V344-Y346 VanDerWaalsContact C-N 3.32Å; V344-Y346 PolarHBondContact O-N 3.24Å; Y346-C348 PolarHBondContact O-N 3.22Å; Y346-I349 PolarHBondContact O-N 3.4Å; Y346-Q350 HydrophobicContact CE1-CG 4.12Å; Y346-Q350 VanDerWaalsContact CE1-OE1 3.32Å; Y346-Q350 HydrophobicContact CE2-CG 4.39Å; Y346-Q350 WeakPolarHBondContact O-CG 3.43Å; Y346-Q350 PolarHBondContact O-N 3.47Å; Y346-Q350 PolarHBondContact OH-NE2 3.2Å
347T93Very high85.5Confident0 Ų046.3 Ų46.30%025%0.25CC..Hα-helixtrans-65.9-35.2178.5-52.80000112.6F151 L155 A343 V344 Q350 L351 I374 I375F151-T347 HydrophobicContact CE2-CG2 4.33Å; L155-T347 HydrophobicContact CD2-CG2 4.2Å; A343-T347 PolarHBondContact O-N 2.83Å; A343-T347 PolarHBondContact O-OG1 3.41Å; V344-T347 PolarHBondContact O-N 3.02Å; T347-Q350 PolarHBondContact O-N 3.45Å; T347-L351 WeakPolarHBondContact O-CB 3.26Å; T347-L351 PolarHBondContact O-N 3.11Å; T347-I374 HydrophobicContact CG2-CG2 4.03Å; T347-I375 HydrophobicContact CG2-CG2 3.72Å
348C94.3Very high87.5Confident10 Ų1045 Ų457%0.06824%0.241CC..Hα-helixtrans-65.2-38.8173.7-74.60000112.7L315 V344 Y345 Y346 L351 S352L315-C348 HydrophobicContact CD1-CB 3.57Å; V344-C348 WeakPolarHBondContact O-CB 3.3Å; V344-C348 PolarHBondContact O-N 3.35Å; V344-C348 PolarHBondContact O-SG 3.37Å; Y345-C348 PolarHBondContact O-N 3.48Å; Y346-C348 PolarHBondContact O-N 3.22Å; C348-L351 PolarHBondContact O-N 3.27Å; C348-S352 PolarHBondContact O-N 2.64Å; C348-S352 PolarHBondContact O-OG 2.89Å
349I91.3Very high89.3Confident108 Ų10844 Ų4455%0.55424%0.243SC*.Hα-helixtrans-65.2-45.7174.4-69.2163.6000109.7Y345 Y346 L351 S352 C353Y345-I349 VanDerWaalsContact O-CG1 3.25Å; Y345-I349 WeakPolarHBondContact O-CG1 3.45Å; Y345-I349 PolarHBondContact O-N 3.25Å; Y346-I349 PolarHBondContact O-N 3.4Å; I349-L351 VanDerWaalsContact C-N 3.35Å; I349-L351 PolarHBondContact O-N 2.99Å; I349-S352 WeakPolarHBondContact O-CB 3.44Å; I349-S352 PolarHBondContact O-N 3.14Å; I349-S352 VanDerWaalsContact O-N 3.14Å; I349-C353 PolarHBondContact O-N 3.12Å; I349-C353 PolarHBondContact O-SG 2.92Å; I349-C353 VanDerWaalsContact O-SG 3.39Å
350Q93.7Very high90.8Very high22 Ų2238.5 Ų38.510%0.10322%0.224CC..Hα-helixtrans-56.5-48.4175-70.8-177.9-52.200111.6Y346 T347 S352 C353 F354Y346-Q350 HydrophobicContact CE1-CG 4.12Å; Y346-Q350 VanDerWaalsContact CE1-OE1 3.32Å; Y346-Q350 HydrophobicContact CE2-CG 4.39Å; Y346-Q350 WeakPolarHBondContact O-CG 3.43Å; Y346-Q350 PolarHBondContact O-N 3.47Å; Y346-Q350 PolarHBondContact OH-NE2 3.2Å; T347-Q350 PolarHBondContact O-N 3.45Å; Q350-S352 VanDerWaalsContact C-N 3.29Å; Q350-S352 PolarHBondContact O-N 3.35Å; Q350-C353 PolarHBondContact O-N 2.93Å; Q350-F354 HydrophobicContact CB-CD2 4.38Å; Q350-F354 HydrophobicContact CB-CE2 4.11Å; Q350-F354 WeakPolarHBondContact O-CD2 3.23Å; Q350-F354 WeakPolarHBondContact O-CG 3.35Å; Q350-F354 PolarHBondContact O-N 3.37Å
351L96.7Very high91.8Very high4 Ų435.5 Ų35.52%0.02120%0.203CC..Hα-helixtrans-57.3-42.6176.4178.365.6000112T347 C348 I349 F354 L355 F368 H371 M372 I375T347-L351 WeakPolarHBondContact O-CB 3.26Å; T347-L351 PolarHBondContact O-N 3.11Å; C348-L351 PolarHBondContact O-N 3.27Å; I349-L351 VanDerWaalsContact C-N 3.35Å; I349-L351 PolarHBondContact O-N 2.99Å; L351-F354 PolarHBondContact O-N 3.17Å; L351-L355 WeakPolarHBondContact O-CB 3.45Å; L351-L355 PolarHBondContact O-N 3.26Å; L351-F368 HydrophobicContact CD1-CD2 3.55Å; L351-F368 HydrophobicContact CD1-CE2 3.53Å; L351-F368 HydrophobicContact CG-CE2 4.28Å; L351-H371 HydrophobicContact CB-CB 4.44Å; L351-H371 HydrophobicContact CD1-CB 3.74Å; L351-M372 HydrophobicContact CD1-CG 3.69Å; L351-I375 HydrophobicContact CD2-CD1 3.2Å; L351-I375 HydrophobicContact CD2-CG1 3.84Å; L351-I375 HydrophobicContact CD2-CG2 4.41Å
352S94.9Very high92.2Very high47 Ų4736.1 Ų36.133%0.32921%0.206SC..Hα-helixtrans-64.2-41.6179.2-54.20000111.5C348 I349 Q350 L355 V356C348-S352 PolarHBondContact O-N 2.64Å; C348-S352 PolarHBondContact O-OG 2.89Å; I349-S352 WeakPolarHBondContact O-CB 3.44Å; I349-S352 PolarHBondContact O-N 3.14Å; I349-S352 VanDerWaalsContact O-N 3.14Å; Q350-S352 VanDerWaalsContact C-N 3.29Å; Q350-S352 PolarHBondContact O-N 3.35Å; S352-L355 WeakPolarHBondContact O-CB 3.38Å; S352-L355 PolarHBondContact O-N 3.04Å; S352-V356 WeakPolarHBondContact O-CG2 3.36Å; S352-V356 PolarHBondContact O-N 2.92Å; S352-V356 VanDerWaalsContact O-N 3.13Å
353C94.4Very high92.6Very high68 Ų6837.3 Ų37.346%0.45920%0.204SC..Hα-helixtrans-63.5-43.8173.1-66.10000111.7I349 Q350 L355 V356 M357I349-C353 PolarHBondContact O-N 3.12Å; I349-C353 PolarHBondContact O-SG 2.92Å; I349-C353 VanDerWaalsContact O-SG 3.39Å; Q350-C353 PolarHBondContact O-N 2.93Å; C353-L355 VanDerWaalsContact C-N 3.3Å; C353-L355 PolarHBondContact O-N 2.72Å; C353-V356 PolarHBondContact O-N 3.4Å; C353-M357 WeakPolarHBondContact O-CB 3.48Å; C353-M357 WeakPolarHBondContact O-CG 3.31Å; C353-M357 PolarHBondContact O-N 3.31Å
354F96Very high92.9Very high16 Ų1639.3 Ų39.37%0.0721%0.213CC..Hα-helixtrans-65.1-32.8176.3-69.9-54.4000112.6F194 M198 Q350 L351 M357 A358 F367 F368 H371F194-F354 HydrophobicContact CE1-CE1 4.4Å; F194-F354 AromaticContact CE1-CZ 3.88Å; F194-F354 HydrophobicContact CE1-CZ 3.88Å; F194-F354 HydrophobicContact CZ-CZ 4.16Å; M198-F354 HydrophobicContact SD-CE2 4.27Å; M198-F354 HydrophobicContact SD-CZ 4.2Å; Q350-F354 HydrophobicContact CB-CD2 4.38Å; Q350-F354 HydrophobicContact CB-CE2 4.11Å; Q350-F354 WeakPolarHBondContact O-CD2 3.23Å; Q350-F354 WeakPolarHBondContact O-CG 3.35Å; Q350-F354 PolarHBondContact O-N 3.37Å; L351-F354 PolarHBondContact O-N 3.17Å; F354-M357 HydrophobicContact CD1-CE 3.27Å; F354-M357 HydrophobicContact CE1-CE 3.56Å; F354-M357 HydrophobicContact CG-CE 4.24Å; F354-M357 PolarHBondContact O-N 3.37Å; F354-A358 WeakPolarHBondContact O-CB 3.28Å; F354-A358 PolarHBondContact O-N 3.49Å; F354-F367 HydrophobicContact CD1-CB 3.44Å; F354-F367 VanDerWaalsContact CD1-CB 3.44Å; F354-F367 HydrophobicContact CD1-CG 4.34Å; F354-F367 HydrophobicContact CE1-CB 3.6Å; F354-F367 HydrophobicContact CE1-CG 4.14Å; F354-F367 HydrophobicContact CG-CB 4.06Å; F354-F367 HydrophobicContact CZ-CB 4.29Å; F354-F368 HydrophobicContact CB-CB 4.08Å; F354-F368 HydrophobicContact CB-CD2 4.35Å; F354-H371 HydrophobicContact CD2-CB 4.4Å; F354-H371 AromaticContact CD2-CE1 3.69Å; F354-H371 AromaticContact CD2-CG 3.75Å; F354-H371 AromaticContact CD2-ND1 3.51Å; F354-H371 AromaticContact CE2-CD2 3.95Å; F354-H371 AromaticContact CE2-CE1 3.15Å; F354-H371 WeakPolarHBondContact CE2-CE1 3.46Å; F354-H371 AromaticContact CE2-CG 3.96Å; F354-H371 AromaticContact CE2-ND1 3.49Å; F354-H371 WeakPolarHBondContact CE2-ND1 3.46Å; F354-H371 AromaticContact CE2-NE2 3.46Å; F354-H371 WeakPolarHBondContact CE2-NE2 3.03Å; F354-H371 AromaticContact CZ-CE1 3.91Å
355L95.5Very high93.1Very high63 Ų6340 Ų4033%0.3322%0.216SC..Hα-helixtrans-62.8-48.9173.3173.161.3000111.2L351 S352 C353 M357 A358 G359 F368L351-L355 WeakPolarHBondContact O-CB 3.45Å; L351-L355 PolarHBondContact O-N 3.26Å; S352-L355 WeakPolarHBondContact O-CB 3.38Å; S352-L355 PolarHBondContact O-N 3.04Å; C353-L355 VanDerWaalsContact C-N 3.3Å; C353-L355 PolarHBondContact O-N 2.72Å; L355-M357 VanDerWaalsContact C-N 3.34Å; L355-M357 PolarHBondContact O-N 3.18Å; L355-A358 PolarHBondContact O-N 3.48Å; L355-G359 PolarHBondContact O-N 2.91Å; L355-F368 HydrophobicContact CB-CD2 3.99Å; L355-F368 HydrophobicContact CB-CE2 3.66Å; L355-F368 HydrophobicContact CB-CZ 4.34Å; L355-F368 HydrophobicContact CD1-CE1 4.17Å; L355-F368 HydrophobicContact CD1-CE2 3.86Å; L355-F368 HydrophobicContact CD1-CZ 3.62Å; L355-F368 HydrophobicContact CG-CE2 4.28Å; L355-F368 HydrophobicContact CG-CZ 4.5Å
356V93.5Very high93.3Very high94 Ų9439.6 Ų39.657%0.5722%0.215SC*.Hα-helixtrans-60.5-46.7177.8174.40000110.3S352 C353 G359 L360S352-V356 WeakPolarHBondContact O-CG2 3.36Å; S352-V356 PolarHBondContact O-N 2.92Å; S352-V356 VanDerWaalsContact O-N 3.13Å; C353-V356 PolarHBondContact O-N 3.4Å; V356-G359 PolarHBondContact O-N 2.9Å; V356-L360 HydrophobicContact CG1-CD1 4.37Å; V356-L360 WeakPolarHBondContact O-CG 3.27Å; V356-L360 PolarHBondContact O-N 3.45Å
357M92.2Very high93.6Very high74 Ų7438.7 Ų38.737%0.36521%0.213SC..Hα-helixtrans-64-44.6179-73.8-167.3-57.800112.9C353 F354 L355 G359 L360 V361 L364C353-M357 WeakPolarHBondContact O-CB 3.48Å; C353-M357 WeakPolarHBondContact O-CG 3.31Å; C353-M357 PolarHBondContact O-N 3.31Å; F354-M357 HydrophobicContact CD1-CE 3.27Å; F354-M357 HydrophobicContact CE1-CE 3.56Å; F354-M357 HydrophobicContact CG-CE 4.24Å; F354-M357 PolarHBondContact O-N 3.37Å; L355-M357 VanDerWaalsContact C-N 3.34Å; L355-M357 PolarHBondContact O-N 3.18Å; M357-G359 VanDerWaalsContact C-N 3.33Å; M357-L360 PolarHBondContact O-N 3.5Å; M357-V361 PolarHBondContact O-N 3.36Å; M357-L364 HydrophobicContact CB-CB 4.35Å; M357-L364 HydrophobicContact CB-CD1 3.74Å; M357-L364 HydrophobicContact CG-CD1 4.42Å
358A94.2Very high93.8Very high0 Ų038.8 Ų38.80%021%0.214CC..Hα-helixtrans-66.7-35.4176.900000112.2F354 L355 L360 V361 K365 F368F354-A358 WeakPolarHBondContact O-CB 3.28Å; F354-A358 PolarHBondContact O-N 3.49Å; L355-A358 PolarHBondContact O-N 3.48Å; A358-L360 VanDerWaalsContact C-N 3.34Å; A358-V361 WeakPolarHBondContact CA-O 3.37Å; A358-V361 CarbonylContact O-C 3.58Å; A358-K365 HydrophobicContact CB-CB 4.28Å; A358-F368 HydrophobicContact CB-CB 3.8Å; A358-F368 HydrophobicContact CB-CD1 4.28Å; A358-F368 HydrophobicContact CB-CG 4.17Å
359G93.5Very high93.9Very high27 Ų2738.3 Ų38.328%0.27821%0.21SC..Hα-helixtrans-60.2-45.317300000111.4F293 L294 L355 V356 M357F293-G359 WeakPolarHBondContact CA-O 3Å; F293-G359 VanDerWaalsContact CD1-O 3.32Å; F293-G359 WeakPolarHBondContact CD1-O 3.05Å; L294-G359 PolarHBondContact N-O 3.18Å; L355-G359 PolarHBondContact O-N 2.91Å; V356-G359 PolarHBondContact O-N 2.9Å; M357-G359 VanDerWaalsContact C-N 3.33Å
360L91Very high94.1Very high40 Ų4033.2 Ų33.221%0.20918%0.184CC..Hα-helixtrans-71.8-44.5177.6-66.9176.1000112.6L270 K273 L274 F293 V356 M357 A358L270-L360 HydrophobicContact CD2-CD1 4.12Å; K273-L360 PolarHBondContact NZ-O 3.19Å; L274-L360 HydrophobicContact CD2-CD2 4.28Å; F293-L360 HydrophobicContact CE1-CD2 4.22Å; V356-L360 HydrophobicContact CG1-CD1 4.37Å; V356-L360 WeakPolarHBondContact O-CG 3.27Å; V356-L360 PolarHBondContact O-N 3.45Å; M357-L360 PolarHBondContact O-N 3.5Å; A358-L360 VanDerWaalsContact C-N 3.34Å
361V91.6Very high94.3Very high21 Ų2132.1 Ų32.113%0.12718%0.179CC..  trans-128.4109.6-174.8179.30000109.1F291 G292 M357 A358 R363 L364F291-V361 HydrophobicContact CD1-CG1 4.49Å; G292-V361 CarbonylContact O-C 3.39Å; G292-V361 WeakPolarHBondContact O-CA 3.36Å; M357-V361 PolarHBondContact O-N 3.36Å; A358-V361 WeakPolarHBondContact CA-O 3.37Å; A358-V361 CarbonylContact O-C 3.58Å; V361-R363 HydrophobicContact CG1-CB 4.25Å; V361-R363 PolarHBondContact O-N 3.49Å; V361-R363 VanDerWaalsContact O-N 3.13Å; V361-L364 HydrophobicContact CB-CD1 3.87Å; V361-L364 HydrophobicContact CB-CG 3.96Å; V361-L364 HydrophobicContact CG1-CD1 4.32Å; V361-L364 HydrophobicContact CG1-CG 4.01Å; V361-L364 HydrophobicContact CG2-CD1 4.33Å; V361-L364 WeakPolarHBondContact O-CB 3.46Å; V361-L364 PolarHBondContact O-N 2.96Å
362M91.3Very high94.4Very high25 Ų2532 Ų3212%0.12318%0.178CC..G310 helixtrans-50.4-43.1-177-179.7-81.9-82.200112.3V289 G292 P295 L364 K365V289-M362 HydrophobicContact CG1-CE 3.97Å; V289-M362 WeakPolarHBondContact O-CE 3.35Å; G292-M362 PolarHBondContact O-N 2.96Å; P295-M362 HydrophobicContact CG-CG 4.17Å; M362-L364 PolarHBondContact O-N 3.14Å; M362-L364 VanDerWaalsContact O-N 3.09Å; M362-K365 HydrophobicContact CG-CD 4.4Å; M362-K365 VanDerWaalsContact O-CB 3.29Å; M362-K365 WeakPolarHBondContact O-CB 3.46Å; M362-K365 WeakPolarHBondContact O-CG 3.48Å; M362-K365 PolarHBondContact O-N 3.08Å; M362-K365 HydrophobicContact SD-CD 4.04Å; M362-K365 VanDerWaalsContact SD-CE 3.57Å
363R91.9Very high94.5Very high58 Ų5829.7 Ų29.722%0.21916%0.162CC..G310 helixtrans-56.1-28.8179.6-167.2-178.2-70.7-166.13.2113.1E290 V361 K365 L366E290-R363 HydrophobicContact CB-CB 4.38Å; E290-R363 WeakPolarHBondContact O-CB 3.45Å; E290-R363 PolarHBondContact O-N 3.01Å; E290-R363 VanDerWaalsContact O-N 3.08Å; V361-R363 HydrophobicContact CG1-CB 4.25Å; V361-R363 PolarHBondContact O-N 3.49Å; V361-R363 VanDerWaalsContact O-N 3.13Å; R363-K365 PolarHBondContact O-N 2.96Å; R363-L366 HydrophobicContact CG-CD1 4.32Å; R363-L366 WeakPolarHBondContact O-CD1 3.38Å; R363-L366 VanDerWaalsContact O-CG 3.25Å; R363-L366 WeakPolarHBondContact O-CG 3.1Å; R363-L366 PolarHBondContact O-N 2.84Å
364L92.5Very high94.7Very high48 Ų4826.5 Ų26.525%0.25114%0.141SC..G310 helixtrans-75-4.8-180-60179.4000113.5M357 V361 M362 L366 F367 F368M357-L364 HydrophobicContact CB-CB 4.35Å; M357-L364 HydrophobicContact CB-CD1 3.74Å; M357-L364 HydrophobicContact CG-CD1 4.42Å; V361-L364 HydrophobicContact CB-CD1 3.87Å; V361-L364 HydrophobicContact CB-CG 3.96Å; V361-L364 HydrophobicContact CG1-CD1 4.32Å; V361-L364 HydrophobicContact CG1-CG 4.01Å; V361-L364 HydrophobicContact CG2-CD1 4.33Å; V361-L364 WeakPolarHBondContact O-CB 3.46Å; V361-L364 PolarHBondContact O-N 2.96Å; M362-L364 PolarHBondContact O-N 3.14Å; M362-L364 VanDerWaalsContact O-N 3.09Å; L364-L366 PolarHBondContact O-N 3.25Å; L364-L366 VanDerWaalsContact O-N 3.14Å; L364-F367 HydrophobicContact CB-CD2 4.48Å; L364-F367 HydrophobicContact CD2-CD2 3.89Å; L364-F367 HydrophobicContact CD2-CE2 3.76Å; L364-F367 PolarHBondContact O-N 3.4Å; L364-F368 PolarHBondContact O-N 3.46Å
365K95.1Very high94.7Very high22 Ų2225.7 Ų25.710%0.09614%0.137CC..Hα-helixtrans-56.7-26168.578.2-175.8175175.80112.7L294 D298 A358 M362 R363 F367 F368 T369L294-K365 HydrophobicContact CD1-CB 3.98Å; L294-K365 HydrophobicContact CD1-CD 4.05Å; D298-K365 IonicContact OD1-NZ 3.57Å; D298-K365 PolarHBondContact OD1-NZ 3.33Å; D298-K365 WeakPolarHBondContact OD2-CD 3.44Å; D298-K365 IonicContact OD2-NZ 2.99Å; D298-K365 PolarHBondContact OD2-NZ 2.73Å; A358-K365 HydrophobicContact CB-CB 4.28Å; M362-K365 HydrophobicContact CG-CD 4.4Å; M362-K365 VanDerWaalsContact O-CB 3.29Å; M362-K365 WeakPolarHBondContact O-CB 3.46Å; M362-K365 WeakPolarHBondContact O-CG 3.48Å; M362-K365 PolarHBondContact O-N 3.08Å; M362-K365 HydrophobicContact SD-CD 4.04Å; M362-K365 VanDerWaalsContact SD-CE 3.57Å; R363-K365 PolarHBondContact O-N 2.96Å; K365-F367 PolarHBondContact O-N 2.93Å; K365-F367 VanDerWaalsContact O-N 3.16Å; K365-F368 PolarHBondContact O-N 3.29Å; K365-F368 VanDerWaalsContact O-N 3.08Å; K365-T369 PolarHBondContact O-N 3.14Å; K365-T369 PolarHBondContact O-OG1 3.14Å; K365-T369 VanDerWaalsContact O-OG1 3.05Å
366L93.9Very high94.8Very high18 Ų1822.7 Ų22.79%0.09412%0.122CC..Hα-helixtrans-58.1-25.2175-63.2175.7000113R178 E187 R363 L364 P370R178-L366 HydrophobicContact CG-CD1 4.34Å; E187-L366 WeakPolarHBondContact OE1-CD1 3.02Å; R363-L366 HydrophobicContact CG-CD1 4.32Å; R363-L366 WeakPolarHBondContact O-CD1 3.38Å; R363-L366 VanDerWaalsContact O-CG 3.25Å; R363-L366 WeakPolarHBondContact O-CG 3.1Å; R363-L366 PolarHBondContact O-N 2.84Å; L364-L366 PolarHBondContact O-N 3.25Å; L364-L366 VanDerWaalsContact O-N 3.14Å; L366-P370 WeakPolarHBondContact O-CD 3.5Å; L366-P370 WeakPolarHBondContact O-CG 3.43Å
367F94.5Very high95Very high47 Ų4718.2 Ų18.221%0.2069%0.094CC..Hα-helixtrans-94.4-33.5172.9-57.4-70.9000112.5Y191 F194 F354 L364 K365 H371Y191-F367 AromaticContact CD2-CD1 3.65Å; Y191-F367 HydrophobicContact CD2-CD1 3.65Å; Y191-F367 AromaticContact CD2-CE1 3.48Å; Y191-F367 HydrophobicContact CD2-CE1 3.48Å; Y191-F367 VanDerWaalsContact CD2-CE1 3.48Å; Y191-F367 AromaticContact CE2-CD1 3.46Å; Y191-F367 HydrophobicContact CE2-CD1 3.46Å; Y191-F367 VanDerWaalsContact CE2-CD1 3.46Å; Y191-F367 AromaticContact CE2-CE1 3.83Å; Y191-F367 HydrophobicContact CE2-CE1 3.83Å; Y191-F367 HydrophobicContact CG-CD1 4.48Å; Y191-F367 HydrophobicContact CG-CE1 4.12Å; F194-F367 HydrophobicContact CD1-CD1 4.31Å; F194-F367 HydrophobicContact CD1-CE1 4.24Å; F194-F367 HydrophobicContact CE1-CD1 4.31Å; F354-F367 HydrophobicContact CD1-CB 3.44Å; F354-F367 VanDerWaalsContact CD1-CB 3.44Å; F354-F367 HydrophobicContact CD1-CG 4.34Å; F354-F367 HydrophobicContact CE1-CB 3.6Å; F354-F367 HydrophobicContact CE1-CG 4.14Å; F354-F367 HydrophobicContact CG-CB 4.06Å; F354-F367 HydrophobicContact CZ-CB 4.29Å; L364-F367 HydrophobicContact CB-CD2 4.48Å; L364-F367 HydrophobicContact CD2-CD2 3.89Å; L364-F367 HydrophobicContact CD2-CE2 3.76Å; L364-F367 PolarHBondContact O-N 3.4Å; K365-F367 PolarHBondContact O-N 2.93Å; K365-F367 VanDerWaalsContact O-N 3.16Å; F367-H371 PolarHBondContact O-ND1 2.92Å
368F96.7Very high95.2Very high3 Ų314.7 Ų14.71%0.0138%0.077CC..Hα-helixtrans-67-50.9179.8174.9-122.9000112.6M302 L308 L351 F354 L355 A358 L364 K365 H371 M372M302-F368 HydrophobicContact CE-CE1 4.4Å; L308-F368 HydrophobicContact CD1-CE1 4.45Å; L308-F368 HydrophobicContact CD1-CZ 4.07Å; L351-F368 HydrophobicContact CD1-CD2 3.55Å; L351-F368 HydrophobicContact CD1-CE2 3.53Å; L351-F368 HydrophobicContact CG-CE2 4.28Å; F354-F368 HydrophobicContact CB-CB 4.08Å; F354-F368 HydrophobicContact CB-CD2 4.35Å; L355-F368 HydrophobicContact CB-CD2 3.99Å; L355-F368 HydrophobicContact CB-CE2 3.66Å; L355-F368 HydrophobicContact CB-CZ 4.34Å; L355-F368 HydrophobicContact CD1-CE1 4.17Å; L355-F368 HydrophobicContact CD1-CE2 3.86Å; L355-F368 HydrophobicContact CD1-CZ 3.62Å; L355-F368 HydrophobicContact CG-CE2 4.28Å; L355-F368 HydrophobicContact CG-CZ 4.5Å; A358-F368 HydrophobicContact CB-CB 3.8Å; A358-F368 HydrophobicContact CB-CD1 4.28Å; A358-F368 HydrophobicContact CB-CG 4.17Å; L364-F368 PolarHBondContact O-N 3.46Å; K365-F368 PolarHBondContact O-N 3.29Å; K365-F368 VanDerWaalsContact O-N 3.08Å; F368-H371 PolarHBondContact O-N 3.47Å; F368-H371 VanDerWaalsContact O-N 3.14Å; F368-M372 HydrophobicContact CD1-CE 3.66Å; F368-M372 HydrophobicContact CD1-SD 4.36Å; F368-M372 HydrophobicContact CD2-CG 4.33Å; F368-M372 HydrophobicContact CE1-CE 3.32Å; F368-M372 HydrophobicContact CE1-CG 4.43Å; F368-M372 HydrophobicContact CE1-SD 3.59Å; F368-M372 VanDerWaalsContact CE1-SD 3.59Å; F368-M372 HydrophobicContact CE2-CE 4.41Å; F368-M372 HydrophobicContact CE2-CG 3.87Å; F368-M372 HydrophobicContact CE2-SD 3.92Å; F368-M372 HydrophobicContact CG-CE 4.35Å; F368-M372 HydrophobicContact CZ-CE 3.73Å; F368-M372 HydrophobicContact CZ-CG 3.92Å; F368-M372 HydrophobicContact CZ-SD 3.32Å; F368-M372 WeakPolarHBondContact CZ-SD 3.48Å; F368-M372 PolarHBondContact O-N 3.35Å
369T96.8Very high95.2Very high0 Ų015 Ų150%08%0.079CC..Hα-helixtrans-60.2-46.7-175.3-49.20000112.8N172 Q175 A176 M302 L307 K365 H371 M372 C373N172-T369 HydrophobicContact CB-CG2 4.16Å; Q175-T369 HydrophobicContact CB-CG2 4.17Å; Q175-T369 WeakPolarHBondContact O-CB 2.95Å; Q175-T369 PolarHBondContact O-OG1 3.37Å; A176-T369 HydrophobicContact CB-CG2 3.77Å; M302-T369 HydrophobicContact SD-CG2 4.45Å; L307-T369 HydrophobicContact CD2-CG2 3.65Å; K365-T369 PolarHBondContact O-N 3.14Å; K365-T369 PolarHBondContact O-OG1 3.14Å; K365-T369 VanDerWaalsContact O-OG1 3.05Å; T369-H371 VanDerWaalsContact C-N 3.31Å; T369-H371 PolarHBondContact O-N 3.13Å; T369-M372 HydrophobicContact CG2-CE 4.26Å; T369-M372 WeakPolarHBondContact O-CB 3.07Å; T369-M372 PolarHBondContact O-N 2.68Å; T369-C373 PolarHBondContact O-N 3.42Å; T369-C373 VanDerWaalsContact O-N 3.12Å; T369-C373 PolarHBondContact O-SG 3.03Å
370P97.1Very high95.4Very high0 Ų014.1 Ų14.10%07%0.067CC..Hα-helixtrans-64.6-32.6176.4-23.136.1000113.5L148 F169 A176 Y191 L366 C373 I374L148-P370 HydrophobicContact CD1-CB 4.15Å; L148-P370 HydrophobicContact CD2-CB 3.77Å; F169-P370 HydrophobicContact CD2-CG 4.36Å; F169-P370 HydrophobicContact CE2-CG 4.26Å; A176-P370 HydrophobicContact CB-CG 4.2Å; Y191-P370 HydrophobicContact CE1-CG 4.03Å; Y191-P370 WeakPolarHBondContact OH-CB 3.44Å; Y191-P370 VanDerWaalsContact OH-CG 3.27Å; Y191-P370 WeakPolarHBondContact OH-CG 3.32Å; L366-P370 WeakPolarHBondContact O-CD 3.5Å; L366-P370 WeakPolarHBondContact O-CG 3.43Å; P370-C373 WeakPolarHBondContact O-CB 3.37Å; P370-C373 PolarHBondContact O-N 3.42Å; P370-I374 WeakPolarHBondContact O-CG1 3.4Å; P370-I374 PolarHBondContact O-N 3.36Å
371H97.1Very high95.5Very high0 Ų012.6 Ų12.60%06%0.059CC..Hα-helixtrans-68.8-34.1174.6-78.782.8000112.5L351 F354 F367 F368 T369 C373 I374 I375L351-H371 HydrophobicContact CB-CB 4.44Å; L351-H371 HydrophobicContact CD1-CB 3.74Å; F354-H371 HydrophobicContact CD2-CB 4.4Å; F354-H371 AromaticContact CD2-CE1 3.69Å; F354-H371 AromaticContact CD2-CG 3.75Å; F354-H371 AromaticContact CD2-ND1 3.51Å; F354-H371 AromaticContact CE2-CD2 3.95Å; F354-H371 AromaticContact CE2-CE1 3.15Å; F354-H371 WeakPolarHBondContact CE2-CE1 3.46Å; F354-H371 AromaticContact CE2-CG 3.96Å; F354-H371 AromaticContact CE2-ND1 3.49Å; F354-H371 WeakPolarHBondContact CE2-ND1 3.46Å; F354-H371 AromaticContact CE2-NE2 3.46Å; F354-H371 WeakPolarHBondContact CE2-NE2 3.03Å; F354-H371 AromaticContact CZ-CE1 3.91Å; F367-H371 PolarHBondContact O-ND1 2.92Å; F368-H371 PolarHBondContact O-N 3.47Å; F368-H371 VanDerWaalsContact O-N 3.14Å; T369-H371 VanDerWaalsContact C-N 3.31Å; T369-H371 PolarHBondContact O-N 3.13Å; H371-C373 VanDerWaalsContact C-N 3.32Å; H371-I374 PolarHBondContact O-N 3.45Å; H371-I375 PolarHBondContact O-N 3.07Å
372M97.8Very high95.6Very high0 Ų013.4 Ų13.40%07%0.065CC..Hα-helixtrans-59.6-45.1168.8-69.4-167.9-73.200110.9M302 L307 L308 S311 L351 F368 T369 I374 I375 C376M302-M372 HydrophobicContact SD-CE 3.48Å; M302-M372 WeakPolarHBondContact SD-CE 3.46Å; L307-M372 HydrophobicContact CD1-CB 3.88Å; L307-M372 HydrophobicContact CD2-CB 4.27Å; L307-M372 HydrophobicContact CD2-CE 4.1Å; L307-M372 HydrophobicContact CG-CB 3.93Å; L307-M372 HydrophobicContact CG-CE 4.29Å; L307-M372 HydrophobicContact CG-SD 4.45Å; L308-M372 HydrophobicContact CB-SD 4.41Å; L308-M372 HydrophobicContact CD1-SD 3.74Å; S311-M372 WeakPolarHBondContact OG-CG 3.41Å; S311-M372 PolarHBondContact OG-SD 2.85Å; L351-M372 HydrophobicContact CD1-CG 3.69Å; F368-M372 HydrophobicContact CD1-CE 3.66Å; F368-M372 HydrophobicContact CD1-SD 4.36Å; F368-M372 HydrophobicContact CD2-CG 4.33Å; F368-M372 HydrophobicContact CE1-CE 3.32Å; F368-M372 HydrophobicContact CE1-CG 4.43Å; F368-M372 HydrophobicContact CE1-SD 3.59Å; F368-M372 VanDerWaalsContact CE1-SD 3.59Å; F368-M372 HydrophobicContact CE2-CE 4.41Å; F368-M372 HydrophobicContact CE2-CG 3.87Å; F368-M372 HydrophobicContact CE2-SD 3.92Å; F368-M372 HydrophobicContact CG-CE 4.35Å; F368-M372 HydrophobicContact CZ-CE 3.73Å; F368-M372 HydrophobicContact CZ-CG 3.92Å; F368-M372 HydrophobicContact CZ-SD 3.32Å; F368-M372 WeakPolarHBondContact CZ-SD 3.48Å; F368-M372 PolarHBondContact O-N 3.35Å; T369-M372 HydrophobicContact CG2-CE 4.26Å; T369-M372 WeakPolarHBondContact O-CB 3.07Å; T369-M372 PolarHBondContact O-N 2.68Å; M372-I374 VanDerWaalsContact C-N 3.28Å; M372-I374 PolarHBondContact O-N 2.9Å; M372-I375 WeakPolarHBondContact O-CG1 3.43Å; M372-I375 PolarHBondContact O-N 2.61Å; M372-C376 PolarHBondContact O-N 3.49Å; M372-C376 VanDerWaalsContact O-N 3.12Å; M372-C376 PolarHBondContact O-SG 3.12Å
373C97.8Very high95.5Very high0 Ų016 Ų160%08%0.082CC..Hα-helixtrans-60.4-37.8176.5-59.70000112.3T165 C168 T369 P370 H371T165-C373 WeakPolarHBondContact CB-O 3.38Å; T165-C373 HydrophobicContact CG2-CB 4.03Å; T165-C373 PolarHBondContact OG1-O 3.33Å; C168-C373 HydrophobicContact CB-CB 3.87Å; C168-C373 VanDerWaalsContact CB-SG 3.55Å; T369-C373 PolarHBondContact O-N 3.42Å; T369-C373 VanDerWaalsContact O-N 3.12Å; T369-C373 PolarHBondContact O-SG 3.03Å; P370-C373 WeakPolarHBondContact O-CB 3.37Å; P370-C373 PolarHBondContact O-N 3.42Å; H371-C373 VanDerWaalsContact C-N 3.32Å
374I97.8Very high95.5Very high0 Ų013.4 Ų13.40%07%0.073CC..Hα-helixtrans-64.7-51.7177.6-70.5162.8000110.4L148 F151 L155 T165 L195 T347 P370 H371 M372 C376 S377L148-I374 HydrophobicContact CD2-CD1 3.75Å; L148-I374 HydrophobicContact CD2-CG1 3.97Å; F151-I374 HydrophobicContact CB-CD1 4.12Å; F151-I374 HydrophobicContact CB-CG1 4.13Å; F151-I374 HydrophobicContact CD1-CD1 3.79Å; F151-I374 HydrophobicContact CD2-CD1 4.17Å; F151-I374 HydrophobicContact CD2-CG1 4.4Å; F151-I374 HydrophobicContact CD2-CG2 3.48Å; F151-I374 VanDerWaalsContact CD2-CG2 3.48Å; F151-I374 HydrophobicContact CE1-CD1 4.19Å; F151-I374 HydrophobicContact CE2-CG2 3.87Å; F151-I374 HydrophobicContact CG-CD1 3.77Å; F151-I374 HydrophobicContact CG-CG1 4.16Å; F151-I374 HydrophobicContact CG-CG2 4.1Å; L155-I374 HydrophobicContact CD2-CG2 3.74Å; T165-I374 HydrophobicContact CG2-CG1 3.98Å; L195-I374 HydrophobicContact CD1-CD1 4.18Å; T347-I374 HydrophobicContact CG2-CG2 4.03Å; P370-I374 WeakPolarHBondContact O-CG1 3.4Å; P370-I374 PolarHBondContact O-N 3.36Å; H371-I374 PolarHBondContact O-N 3.45Å; M372-I374 VanDerWaalsContact C-N 3.28Å; M372-I374 PolarHBondContact O-N 2.9Å; I374-C376 VanDerWaalsContact C-N 3.29Å; I374-C376 PolarHBondContact O-N 3.38Å; I374-S377 WeakPolarHBondContact O-CB 3.21Å; I374-S377 PolarHBondContact O-N 3.46Å; I374-S377 PolarHBondContact O-OG 2.79Å
375I97.2Very high95.5Very high0 Ų011.5 Ų11.50%06%0.063CC..Hα-helixtrans-69-28.7-174.966.2153.4000112.6L155 S311 V314 T347 L351 H371 M372 S377 L378L155-I375 HydrophobicContact CD2-CG2 4.45Å; S311-I375 WeakPolarHBondContact O-CD1 3.12Å; V314-I375 HydrophobicContact CB-CD1 4.15Å; V314-I375 HydrophobicContact CG1-CB 4.21Å; V314-I375 HydrophobicContact CG1-CD1 4.11Å; T347-I375 HydrophobicContact CG2-CG2 3.72Å; L351-I375 HydrophobicContact CD2-CD1 3.2Å; L351-I375 HydrophobicContact CD2-CG1 3.84Å; L351-I375 HydrophobicContact CD2-CG2 4.41Å; H371-I375 PolarHBondContact O-N 3.07Å; M372-I375 WeakPolarHBondContact O-CG1 3.43Å; M372-I375 PolarHBondContact O-N 2.61Å; I375-S377 PolarHBondContact O-N 3.33Å; I375-S377 VanDerWaalsContact O-N 3.08Å; I375-L378 WeakPolarHBondContact O-CB 3.31Å; I375-L378 PolarHBondContact O-N 3.34Å
376C97.2Very high95.4Very high0 Ų011.5 Ų11.50%07%0.065CC..G310 helixtrans-57.9-22.3172.5-73.40000112.9L164 M372 I374 L378 V379L164-C376 HydrophobicContact CD2-CB 4.4Å; L164-C376 WeakPolarHBondContact CD2-O 3.38Å; M372-C376 PolarHBondContact O-N 3.49Å; M372-C376 VanDerWaalsContact O-N 3.12Å; M372-C376 PolarHBondContact O-SG 3.12Å; I374-C376 VanDerWaalsContact C-N 3.29Å; I374-C376 PolarHBondContact O-N 3.38Å; C376-L378 PolarHBondContact O-N 3.26Å; C376-V379 WeakPolarHBondContact O-CG1 3.45Å; C376-V379 VanDerWaalsContact O-CG2 3.26Å; C376-V379 WeakPolarHBondContact O-CG2 3.36Å; C376-V379 PolarHBondContact O-N 3Å
377S97.3Very high95.1Very high0 Ų014.1 Ų14.10%08%0.079CC..G310 helixtrans-59.7-24.6174.569.60000113.7G152 S156 G161 I374 I375 V379 F380G152-S377 WeakPolarHBondContact O-CB 3.48Å; G152-S377 PolarHBondContact O-OG 3.41Å; S156-S377 WeakPolarHBondContact CB-O 3.48Å; G161-S377 WeakPolarHBondContact O-CB 3.43Å; I374-S377 WeakPolarHBondContact O-CB 3.21Å; I374-S377 PolarHBondContact O-N 3.46Å; I374-S377 PolarHBondContact O-OG 2.79Å; I375-S377 PolarHBondContact O-N 3.33Å; I375-S377 VanDerWaalsContact O-N 3.08Å; S377-V379 PolarHBondContact O-N 3.41Å; S377-V379 VanDerWaalsContact O-N 3.08Å; S377-F380 PolarHBondContact O-N 3.4Å
378L96.2Very high94.9Very high0 Ų012.2 Ų12.20%07%0.072CC..G310 helixtrans-63.6-16.3-176.7-74.9169.5000114.2L155 V314 V344 I375 C376 F380 N381 F384L155-L378 HydrophobicContact CD2-CD1 4.16Å; L155-L378 HydrophobicContact CD2-CD2 4.45Å; L155-L378 HydrophobicContact CD2-CG 4.08Å; L155-L378 HydrophobicContact CG-CD1 4.45Å; L155-L378 HydrophobicContact CG-CD2 3.92Å; L155-L378 HydrophobicContact CG-CG 4.1Å; V314-L378 HydrophobicContact CG1-CB 4.13Å; V314-L378 HydrophobicContact CG1-CD1 3.71Å; V344-L378 HydrophobicContact CG1-CD1 3.65Å; V344-L378 HydrophobicContact CG2-CD1 4.21Å; V344-L378 HydrophobicContact CG2-CD2 3.8Å; I375-L378 WeakPolarHBondContact O-CB 3.31Å; I375-L378 PolarHBondContact O-N 3.34Å; C376-L378 PolarHBondContact O-N 3.26Å; L378-F380 PolarHBondContact O-N 2.98Å; L378-N381 HydrophobicContact CD2-CB 4.4Å; L378-N381 WeakPolarHBondContact O-CB 3.47Å; L378-N381 PolarHBondContact O-N 3.49Å; L378-F384 HydrophobicContact CB-CD1 3.98Å; L378-F384 HydrophobicContact CB-CE1 4.04Å; L378-F384 HydrophobicContact CD1-CE1 4.39Å; L378-F384 HydrophobicContact CD1-CZ 4.44Å
379V95.4Very high94.6Very high6 Ų617 Ų174%0.0369%0.093CC..G310 helixtrans-61-20.4171.2-56.50000112.8L164 V314 C376 S377 L385 S398 F401 L405L164-V379 HydrophobicContact CD2-CG2 3.73Å; V314-V379 HydrophobicContact CG2-CG1 4.4Å; C376-V379 WeakPolarHBondContact O-CG1 3.45Å; C376-V379 VanDerWaalsContact O-CG2 3.26Å; C376-V379 WeakPolarHBondContact O-CG2 3.36Å; C376-V379 PolarHBondContact O-N 3Å; S377-V379 PolarHBondContact O-N 3.41Å; S377-V379 VanDerWaalsContact O-N 3.08Å; V379-L385 VanDerWaalsContact O-CD1 3.27Å; V379-L385 WeakPolarHBondContact O-CD1 3.15Å; V379-S398 PolarHBondContact O-OG 2.95Å; V379-F401 HydrophobicContact CB-CD1 3.9Å; V379-F401 HydrophobicContact CB-CE1 3.98Å; V379-F401 HydrophobicContact CG1-CD1 4.27Å; V379-F401 HydrophobicContact CG1-CE1 3.82Å; V379-L405 HydrophobicContact CG1-CD2 3.93Å; V379-L405 HydrophobicContact CG2-CD2 4.32Å
380F96.2Very high94.1Very high9 Ų920.2 Ų20.24%0.03913%0.126CC..G310 helixtrans-92.73.9174.7-70.8-74.2000114L160 L164 S377 L378 P382 S398 G402L160-F380 HydrophobicContact CB-CD1 3.67Å; L160-F380 HydrophobicContact CB-CD2 4.18Å; L160-F380 HydrophobicContact CB-CE1 3.61Å; L160-F380 HydrophobicContact CB-CE2 4.12Å; L160-F380 HydrophobicContact CB-CG 3.94Å; L160-F380 HydrophobicContact CB-CZ 3.83Å; L160-F380 HydrophobicContact CD1-CD1 4.03Å; L160-F380 HydrophobicContact CD1-CE1 3.76Å; L160-F380 HydrophobicContact CG-CE1 4.32Å; L164-F380 HydrophobicContact CB-CD2 4.43Å; L164-F380 HydrophobicContact CB-CE2 3.85Å; L164-F380 HydrophobicContact CD2-CD2 4.19Å; L164-F380 HydrophobicContact CD2-CE2 3.78Å; L164-F380 HydrophobicContact CG-CE2 4.35Å; S377-F380 PolarHBondContact O-N 3.4Å; L378-F380 PolarHBondContact O-N 2.98Å; F380-P382 VanDerWaalsContact O-CD 3.29Å; F380-P382 WeakPolarHBondContact O-CD 3.15Å; F380-S398 WeakPolarHBondContact CA-OG 2.95Å; F380-S398 PolarHBondContact O-OG 3.07Å; F380-G402 VanDerWaalsContact CZ-CA 3.44Å
381N94.2Very high93.7Very high8 Ų829.7 Ų29.74%0.04316%0.161CC..  trans-96.6103.2175.5-172.3-35.2000110.5S156 L378 T383 F384 L385S156-N381 WeakPolarHBondContact O-CB 3.36Å; L378-N381 HydrophobicContact CD2-CB 4.4Å; L378-N381 WeakPolarHBondContact O-CB 3.47Å; L378-N381 PolarHBondContact O-N 3.49Å; N381-T383 VanDerWaalsContact C-N 3.31Å; N381-T383 PolarHBondContact O-N 3.06Å; N381-T383 PolarHBondContact OD1-N 3.39Å; N381-T383 VanDerWaalsContact OD1-N 3.12Å; N381-T383 PolarHBondContact OD1-OG1 3.3Å; N381-F384 HydrophobicContact CB-CB 3.88Å; N381-F384 PolarHBondContact O-N 3.01Å; N381-F384 PolarHBondContact OD1-N 2.57Å; N381-F384 VanDerWaalsContact OD1-N 3.09Å; N381-L385 WeakPolarHBondContact O-CG 3.25Å; N381-L385 PolarHBondContact O-N 3.35Å
382P93.1Very high93.4Very high37 Ų3735.1 Ų35.124%0.2420%0.197CC..Hα-helixtrans-67.1-30.2-175.626.4-34.7000113.3F380 S386 V393F380-P382 VanDerWaalsContact O-CD 3.29Å; F380-P382 WeakPolarHBondContact O-CD 3.15Å; P382-S386 WeakPolarHBondContact O-CB 3.23Å; P382-S386 PolarHBondContact O-N 2.86Å; P382-S386 PolarHBondContact O-OG 3.36Å; P382-V393 WeakPolarHBondContact CB-O 3.41Å
383T90.6Very high93.1Very high80 Ų8036.2 Ų36.249%0.49120%0.204SC..Hα-helixtrans-67.9-47177.567.40000110.2Y341 N381 L385 S386 D387Y341-T383 PolarHBondContact OH-O 2.79Å; Y341-T383 PolarHBondContact OH-OG1 2.71Å; N381-T383 VanDerWaalsContact C-N 3.31Å; N381-T383 PolarHBondContact O-N 3.06Å; N381-T383 PolarHBondContact OD1-N 3.39Å; N381-T383 VanDerWaalsContact OD1-N 3.12Å; N381-T383 PolarHBondContact OD1-OG1 3.3Å; T383-L385 PolarHBondContact O-N 2.76Å; T383-S386 WeakPolarHBondContact O-CB 3.31Å; T383-S386 PolarHBondContact O-N 3.31Å; T383-S386 VanDerWaalsContact O-N 3.14Å; T383-D387 PolarHBondContact O-N 2.87Å; T383-D387 VanDerWaalsContact O-N 3.14Å
384F91.7Very high92.9Very high3 Ų339.1 Ų39.11%0.01322%0.224CC..Hα-helixtrans-59.3-47.5176179.5-107.6000111A317 A318 V321 Y341 V344 L378 N381 S386 D387 V388A317-F384 HydrophobicContact CB-CE1 4.48Å; A317-F384 HydrophobicContact CB-CZ 4.25Å; A318-F384 HydrophobicContact CB-CE2 4.25Å; A318-F384 HydrophobicContact CB-CZ 4.12Å; V321-F384 HydrophobicContact CG2-CE2 4.49Å; Y341-F384 HydrophobicContact CD1-CD2 4.1Å; Y341-F384 HydrophobicContact CE1-CB 3.93Å; Y341-F384 AromaticContact CE1-CD2 3.96Å; Y341-F384 HydrophobicContact CE1-CD2 3.96Å; Y341-F384 HydrophobicContact CE1-CG 4.45Å; Y341-F384 WeakPolarHBondContact OH-CA 3.4Å; Y341-F384 PolarHBondContact OH-N 2.75Å; V344-F384 HydrophobicContact CG1-CE2 4.23Å; L378-F384 HydrophobicContact CB-CD1 3.98Å; L378-F384 HydrophobicContact CB-CE1 4.04Å; L378-F384 HydrophobicContact CD1-CE1 4.39Å; L378-F384 HydrophobicContact CD1-CZ 4.44Å; N381-F384 HydrophobicContact CB-CB 3.88Å; N381-F384 PolarHBondContact O-N 3.01Å; N381-F384 PolarHBondContact OD1-N 2.57Å; N381-F384 VanDerWaalsContact OD1-N 3.09Å; F384-S386 VanDerWaalsContact C-N 3.3Å; F384-S386 PolarHBondContact O-N 3.42Å; F384-D387 PolarHBondContact O-N 2.84Å; F384-V388 HydrophobicContact CD1-CG2 4.2Å; F384-V388 HydrophobicContact CD2-CG2 4.46Å; F384-V388 HydrophobicContact CE1-CG2 3.88Å; F384-V388 HydrophobicContact CE2-CG2 4.16Å; F384-V388 HydrophobicContact CG-CG2 4.48Å; F384-V388 HydrophobicContact CZ-CG2 3.87Å; F384-V388 VanDerWaalsContact O-CG2 3.22Å; F384-V388 WeakPolarHBondContact O-CG2 3Å; F384-V388 PolarHBondContact O-N 3.18Å
385L92.7Very high92.7Very high8 Ų847.1 Ų47.14%0.04225%0.254CS..Hα-helixtrans-62.3-36.1176.7-68.9-173000112.9V379 N381 T383 D387 V388 F389 V393 F401V379-L385 VanDerWaalsContact O-CD1 3.27Å; V379-L385 WeakPolarHBondContact O-CD1 3.15Å; N381-L385 WeakPolarHBondContact O-CG 3.25Å; N381-L385 PolarHBondContact O-N 3.35Å; T383-L385 PolarHBondContact O-N 2.76Å; L385-D387 VanDerWaalsContact C-N 3.33Å; L385-D387 PolarHBondContact O-N 3.21Å; L385-V388 PolarHBondContact O-N 3.13Å; L385-F389 HydrophobicContact CB-CD2 4.27Å; L385-F389 HydrophobicContact CB-CE2 4.37Å; L385-F389 HydrophobicContact CD2-CE2 4.1Å; L385-F389 WeakPolarHBondContact O-CD2 3.34Å; L385-F389 PolarHBondContact O-N 2.96Å; L385-V393 HydrophobicContact CB-CB 4.22Å; L385-V393 HydrophobicContact CB-CG1 4.17Å; L385-V393 HydrophobicContact CB-CG2 4.18Å; L385-V393 HydrophobicContact CD1-CG1 4.31Å; L385-F401 HydrophobicContact CD1-CD1 4.26Å
386S91.4Very high92.6Very high22 Ų2255.4 Ų55.415%0.15429%0.285CS..Hα-helixtrans-62-43.1178.1-60.80000111.8P382 T383 F384 G390 R391 V393P382-S386 WeakPolarHBondContact O-CB 3.23Å; P382-S386 PolarHBondContact O-N 2.86Å; P382-S386 PolarHBondContact O-OG 3.36Å; T383-S386 WeakPolarHBondContact O-CB 3.31Å; T383-S386 PolarHBondContact O-N 3.31Å; T383-S386 VanDerWaalsContact O-N 3.14Å; F384-S386 VanDerWaalsContact C-N 3.3Å; F384-S386 PolarHBondContact O-N 3.42Å; S386-G390 WeakPolarHBondContact O-CA 3.22Å; S386-G390 PolarHBondContact O-N 3.26Å; S386-R391 VanDerWaalsContact CA-O 3.28Å; S386-R391 WeakPolarHBondContact CA-O 3.41Å; S386-R391 PolarHBondContact O-N 3.41Å; S386-V393 PolarHBondContact OG-N 3.03Å
387D88.1Confident92.4Very high73 Ų7363.2 Ų63.239%0.3932%0.315SS..Hα-helixtrans-72.2-34.4178.1-71.1-7.1000111.9V321 Y341 T383 F384 L385V321-D387 HydrophobicContact CG1-CB 4.23Å; V321-D387 HydrophobicContact CG2-CB 4.11Å; Y341-D387 VanDerWaalsContact CE2-OD2 3.27Å; Y341-D387 WeakPolarHBondContact CE2-OD2 3.36Å; Y341-D387 PolarHBondContact OH-OD2 3.39Å; T383-D387 PolarHBondContact O-N 2.87Å; T383-D387 VanDerWaalsContact O-N 3.14Å; F384-D387 PolarHBondContact O-N 2.84Å; L385-D387 VanDerWaalsContact C-N 3.33Å; L385-D387 PolarHBondContact O-N 3.21Å
388V90.3Very high92.3Very high8 Ų863.3 Ų63.35%0.04832%0.315CS..Hα-helixtrans-65-46.6174.3170.90000111.4A317 K320 V321 F384 L385A317-V388 HydrophobicContact CB-CG1 3.83Å; A317-V388 HydrophobicContact CB-CG2 3.78Å; K320-V388 PolarHBondContact NZ-O 2.99Å; V321-V388 HydrophobicContact CG2-CB 4.38Å; V321-V388 HydrophobicContact CG2-CG2 3.55Å; F384-V388 HydrophobicContact CD1-CG2 4.2Å; F384-V388 HydrophobicContact CD2-CG2 4.46Å; F384-V388 HydrophobicContact CE1-CG2 3.88Å; F384-V388 HydrophobicContact CE2-CG2 4.16Å; F384-V388 HydrophobicContact CG-CG2 4.48Å; F384-V388 HydrophobicContact CZ-CG2 3.87Å; F384-V388 VanDerWaalsContact O-CG2 3.22Å; F384-V388 WeakPolarHBondContact O-CG2 3Å; F384-V388 PolarHBondContact O-N 3.18Å; L385-V388 PolarHBondContact O-N 3.13Å
389F90.4Very high92.2Very high104 Ų10464.7 Ų64.746%0.45632%0.324SS..Hα-helixtrans-85.9-11.3-177.9-69.3-65.1000113.8L385 R391 V393L385-F389 HydrophobicContact CB-CD2 4.27Å; L385-F389 HydrophobicContact CB-CE2 4.37Å; L385-F389 HydrophobicContact CD2-CE2 4.1Å; L385-F389 WeakPolarHBondContact O-CD2 3.34Å; L385-F389 PolarHBondContact O-N 2.96Å; F389-R391 PolarHBondContact O-N 2.98Å; F389-V393 HydrophobicContact CD2-CG2 4.04Å
390G86.1Confident92.2Very high67 Ų6769.2 Ų69.269%0.69135%0.347SS*.THydrogen-bonded Turntrans65.819.3-176.300000113.6S386S386-G390 WeakPolarHBondContact O-CA 3.22Å; S386-G390 PolarHBondContact O-N 3.26Å
391R90.1Very high92Very high198 Ų19872.6 Ų72.675%0.74736%0.362SS*.SBendtrans-141.7145.2179.5-67.7-174.7178.9179.7-0.5108.7S386 F389 V393S386-R391 VanDerWaalsContact CA-O 3.28Å; S386-R391 WeakPolarHBondContact CA-O 3.41Å; S386-R391 PolarHBondContact O-N 3.41Å; F389-R391 PolarHBondContact O-N 2.98Å; R391-V393 PolarHBondContact O-N 3.39Å; R391-V393 VanDerWaalsContact O-N 3.17Å
392P90Very high92Very high114 Ų11472.2 Ų72.274%0.7436%0.36SS*.  trans-62.1120.9179.425.5-33.5000110.9
393V91.9Very high92.1Very high24 Ų2474.4 Ų74.415%0.14537%0.369CS..  trans-103.3115.4174.9177.80000108.1P382 L385 S386 F389 R391 R397P382-V393 WeakPolarHBondContact CB-O 3.41Å; L385-V393 HydrophobicContact CB-CB 4.22Å; L385-V393 HydrophobicContact CB-CG1 4.17Å; L385-V393 HydrophobicContact CB-CG2 4.18Å; L385-V393 HydrophobicContact CD1-CG1 4.31Å; S386-V393 PolarHBondContact OG-N 3.03Å; F389-V393 HydrophobicContact CD2-CG2 4.04Å; R391-V393 PolarHBondContact O-N 3.39Å; R391-V393 VanDerWaalsContact O-N 3.17Å; V393-R397 HydrophobicContact CG1-CB 3.92Å
394S93.9Very high92.3Very high60 Ų6075.3 Ų75.342%0.4237%0.37SS..  trans-70.2154.8174.465.80000111.3R396 R397 S398S394-R396 PolarHBondContact O-N 3.27Å; S394-R397 PolarHBondContact O-N 3.24Å; S394-S398 PolarHBondContact O-N 2.94Å; S394-S398 VanDerWaalsContact O-N 3.16Å
395W93.7Very high92.4Very high169 Ų16976.4 Ų76.464%0.6438%0.376SS*.Hα-helixtrans-54-38.2178.279.7-86.4000112.4R397 S398 V399W395-R397 VanDerWaalsContact C-N 3.34Å; W395-R397 PolarHBondContact O-N 3.44Å; W395-S398 PolarHBondContact O-N 2.7Å; W395-V399 HydrophobicContact CE3-CG2 3.77Å; W395-V399 HydrophobicContact CZ3-CG2 4.03Å; W395-V399 WeakPolarHBondContact O-CG2 3.47Å; W395-V399 PolarHBondContact O-N 3.23Å
396R94.4Very high92.6Very high173 Ų17377.1 Ų77.165%0.65338%0.383SS*.Hα-helixtrans-58.2-43.1176.7-64.2-175.5-178175.60.7112.3S394 V399 I400S394-R396 PolarHBondContact O-N 3.27Å; R396-V399 PolarHBondContact O-N 3.02Å; R396-I400 VanDerWaalsContact O-CG1 3.27Å; R396-I400 WeakPolarHBondContact O-CG1 3.5Å; R396-I400 PolarHBondContact O-N 3.16Å
397R93Very high92.7Very high165 Ų16581 Ų8162%0.62340%0.401SS*.Hα-helixtrans-68.6-39178.2-72.3-177.1179.5170.9-0.1111.9V393 S394 W395 V399 I400 F401V393-R397 HydrophobicContact CG1-CB 3.92Å; S394-R397 PolarHBondContact O-N 3.24Å; W395-R397 VanDerWaalsContact C-N 3.34Å; W395-R397 PolarHBondContact O-N 3.44Å; R397-V399 VanDerWaalsContact C-N 3.35Å; R397-I400 PolarHBondContact O-N 3.48Å; R397-F401 WeakPolarHBondContact O-CB 3.46Å; R397-F401 PolarHBondContact O-N 3.48Å
398S93.8Very high93Very high1 Ų182.5 Ų82.51%0.00741%0.409CS..Hα-helixtrans-62.7-42174.31770000111.6V379 F380 S394 W395 F401 G402V379-S398 PolarHBondContact O-OG 2.95Å; F380-S398 WeakPolarHBondContact CA-OG 2.95Å; F380-S398 PolarHBondContact O-OG 3.07Å; S394-S398 PolarHBondContact O-N 2.94Å; S394-S398 VanDerWaalsContact O-N 3.16Å; W395-S398 PolarHBondContact O-N 2.7Å; S398-F401 PolarHBondContact O-N 2.76Å; S398-G402 PolarHBondContact O-N 3Å
399V95.8Very high93.2Very high29 Ų2982.2 Ų82.218%0.17641%0.407CS..Hα-helixtrans-61.7-47173.8172.20000111.5L160 W395 R396 R397 F401 G402 L403L160-V399 HydrophobicContact CD1-CB 4.48Å; L160-V399 HydrophobicContact CD1-CG1 3.93Å; L160-V399 HydrophobicContact CD1-CG2 3.9Å; W395-V399 HydrophobicContact CE3-CG2 3.77Å; W395-V399 HydrophobicContact CZ3-CG2 4.03Å; W395-V399 WeakPolarHBondContact O-CG2 3.47Å; W395-V399 PolarHBondContact O-N 3.23Å; R396-V399 PolarHBondContact O-N 3.02Å; R397-V399 VanDerWaalsContact C-N 3.35Å; V399-F401 VanDerWaalsContact C-N 3.35Å; V399-F401 PolarHBondContact O-N 3.3Å; V399-G402 PolarHBondContact O-N 3.11Å; V399-L403 HydrophobicContact CG1-CD1 3.77Å; V399-L403 HydrophobicContact CG1-CG 4.19Å; V399-L403 WeakPolarHBondContact O-CB 3.19Å; V399-L403 VanDerWaalsContact O-CG 3.27Å; V399-L403 WeakPolarHBondContact O-CG 3.19Å; V399-L403 PolarHBondContact O-N 3.23Å
400I95.1Very high93.4Very high102 Ų10279.1 Ų79.152%0.52340%0.398SS..Hα-helixtrans-59.1-47.2177.1-68.2163.1000110.6R396 R397 L403 L404R396-I400 VanDerWaalsContact O-CG1 3.27Å; R396-I400 WeakPolarHBondContact O-CG1 3.5Å; R396-I400 PolarHBondContact O-N 3.16Å; R397-I400 PolarHBondContact O-N 3.48Å; I400-L403 PolarHBondContact O-N 3.21Å; I400-L404 HydrophobicContact CG2-CD1 3.96Å; I400-L404 HydrophobicContact CG2-CG 4.41Å; I400-L404 WeakPolarHBondContact O-CB 3.39Å; I400-L404 VanDerWaalsContact O-CG 3.29Å; I400-L404 WeakPolarHBondContact O-CG 3.46Å; I400-L404 PolarHBondContact O-N 3.31Å
401F92Very high93.6Very high80 Ų8080.4 Ų80.435%0.35139%0.392SS..Hα-helixtrans-61.1-46.8179.5-176.6-108.7000112.2V379 L385 R397 S398 V399 L404 L405V379-F401 HydrophobicContact CB-CD1 3.9Å; V379-F401 HydrophobicContact CB-CE1 3.98Å; V379-F401 HydrophobicContact CG1-CD1 4.27Å; V379-F401 HydrophobicContact CG1-CE1 3.82Å; L385-F401 HydrophobicContact CD1-CD1 4.26Å; R397-F401 WeakPolarHBondContact O-CB 3.46Å; R397-F401 PolarHBondContact O-N 3.48Å; S398-F401 PolarHBondContact O-N 2.76Å; V399-F401 VanDerWaalsContact C-N 3.35Å; V399-F401 PolarHBondContact O-N 3.3Å; F401-L404 PolarHBondContact O-N 3.4Å; F401-L405 PolarHBondContact O-N 3.02Å
402G94.3Very high93.7Very high0 Ų073.7 Ų73.70%037%0.367CS..Hα-helixtrans-66.5-37.2177.900000113.6F380 S398 V399 L405 A406F380-G402 VanDerWaalsContact CZ-CA 3.44Å; S398-G402 PolarHBondContact O-N 3Å; V399-G402 PolarHBondContact O-N 3.11Å; G402-L405 PolarHBondContact O-N 3.45Å; G402-A406 WeakPolarHBondContact O-CB 3.3Å; G402-A406 PolarHBondContact O-N 3.33Å
403L94.8Very high93.8Very high82 Ų8268.2 Ų68.243%0.42933%0.332SS..Hα-helixtrans-67.3-41.5174.7-73.1177000112V399 I400 L405 A406 I407V399-L403 HydrophobicContact CG1-CD1 3.77Å; V399-L403 HydrophobicContact CG1-CG 4.19Å; V399-L403 WeakPolarHBondContact O-CB 3.19Å; V399-L403 VanDerWaalsContact O-CG 3.27Å; V399-L403 WeakPolarHBondContact O-CG 3.19Å; V399-L403 PolarHBondContact O-N 3.23Å; I400-L403 PolarHBondContact O-N 3.21Å; L403-L405 VanDerWaalsContact C-N 3.33Å; L403-L405 PolarHBondContact O-N 2.82Å; L403-A406 PolarHBondContact O-N 3.5Å; L403-I407 VanDerWaalsContact O-CG1 3.25Å; L403-I407 WeakPolarHBondContact O-CG1 3.42Å; L403-I407 PolarHBondContact O-N 2.91Å
404L95.1Very high93.9Very high99 Ų9970 Ų7052%0.51834%0.343SS..Hα-helixtrans-60.1-44.3174.5-73.5172000111.3I400 F401 I407 L408I400-L404 HydrophobicContact CG2-CD1 3.96Å; I400-L404 HydrophobicContact CG2-CG 4.41Å; I400-L404 WeakPolarHBondContact O-CB 3.39Å; I400-L404 VanDerWaalsContact O-CG 3.29Å; I400-L404 WeakPolarHBondContact O-CG 3.46Å; I400-L404 PolarHBondContact O-N 3.31Å; F401-L404 PolarHBondContact O-N 3.4Å; L404-I407 PolarHBondContact O-N 3.46Å; L404-L408 WeakPolarHBondContact O-CG 3.42Å; L404-L408 PolarHBondContact O-N 3.13Å
405L94.5Very high93.9Very high26 Ų2671.9 Ų71.914%0.13635%0.347CS..Hα-helixtrans-60.7-46.8174.218062.9000111.4L164 A310 V379 F401 G402 L403 I407 L408 M409L164-L405 HydrophobicContact CD2-CD2 4.49Å; A310-L405 HydrophobicContact CB-CD1 4.15Å; A310-L405 HydrophobicContact CB-CD2 4.24Å; V379-L405 HydrophobicContact CG1-CD2 3.93Å; V379-L405 HydrophobicContact CG2-CD2 4.32Å; F401-L405 PolarHBondContact O-N 3.02Å; G402-L405 PolarHBondContact O-N 3.45Å; L403-L405 VanDerWaalsContact C-N 3.33Å; L403-L405 PolarHBondContact O-N 2.82Å; L405-I407 VanDerWaalsContact C-N 3.33Å; L405-I407 PolarHBondContact O-N 3.17Å; L405-L408 PolarHBondContact O-N 2.66Å; L405-M409 HydrophobicContact CD1-CG 4.18Å; L405-M409 HydrophobicContact CD1-SD 4.24Å; L405-M409 HydrophobicContact CG-CG 4.38Å; L405-M409 HydrophobicContact CG-SD 4.07Å; L405-M409 VanDerWaalsContact O-CG 3.29Å; L405-M409 WeakPolarHBondContact O-CG 3.41Å; L405-M409 PolarHBondContact O-N 3.41Å
406A95Very high93.8Very high24 Ų2464.3 Ų64.320%0.19832%0.319CS..Hα-helixtrans-59.2-42.5178.600000112.4L164 G402 L403 M409 S410L164-A406 HydrophobicContact CD1-CB 3.88Å; G402-A406 WeakPolarHBondContact O-CB 3.3Å; G402-A406 PolarHBondContact O-N 3.33Å; L403-A406 PolarHBondContact O-N 3.5Å; A406-M409 PolarHBondContact O-N 3.1Å; A406-S410 WeakPolarHBondContact O-CB 3.49Å; A406-S410 PolarHBondContact O-N 3.37Å
407I94.8Very high93.7Very high104 Ų10457 Ų5753%0.53329%0.293SS..Hα-helixtrans-62.6-47.3177-69.5164.3000110.2L403 L404 L405 M409 S410 V411L403-I407 VanDerWaalsContact O-CG1 3.25Å; L403-I407 WeakPolarHBondContact O-CG1 3.42Å; L403-I407 PolarHBondContact O-N 2.91Å; L404-I407 PolarHBondContact O-N 3.46Å; L405-I407 VanDerWaalsContact C-N 3.33Å; L405-I407 PolarHBondContact O-N 3.17Å; I407-M409 PolarHBondContact O-N 3.15Å; I407-S410 WeakPolarHBondContact O-CB 3.27Å; I407-S410 PolarHBondContact O-N 3.49Å; I407-S410 VanDerWaalsContact O-N 3.1Å; I407-S410 PolarHBondContact O-OG 3.31Å; I407-V411 PolarHBondContact O-N 3.1Å
408L94.7Very high93.8Very high104 Ų10454.9 Ų54.955%0.54529%0.29SS..Hα-helixtrans-61.6-43.2178-69.6170.4000111.9L306 L404 L405 S410 V411L306-L408 HydrophobicContact CD1-CB 3.67Å; L404-L408 WeakPolarHBondContact O-CG 3.42Å; L404-L408 PolarHBondContact O-N 3.13Å; L405-L408 PolarHBondContact O-N 2.66Å; L408-S410 VanDerWaalsContact C-N 3.26Å; L408-S410 PolarHBondContact O-N 3.38Å; L408-V411 PolarHBondContact O-N 2.89Å
409M94.8Very high93.7Very high2 Ų260.9 Ų60.91%0.0132%0.316CS..Hα-helixtrans-64.4-31.1175.3-67.1-174.686.100112.3L164 C168 F171 S305 L306 L307 L405 A406 I407 V411 G413L164-M409 HydrophobicContact CD1-SD 4.48Å; C168-M409 HydrophobicContact CB-CE 4.3Å; C168-M409 WeakPolarHBondContact SG-CE 3.34Å; F171-M409 HydrophobicContact CD2-CB 4.49Å; S305-M409 WeakPolarHBondContact O-CE 3.49Å; L306-M409 HydrophobicContact CB-CG 4.09Å; L307-M409 HydrophobicContact CB-CE 3.9Å; L307-M409 HydrophobicContact CD1-CE 4.06Å; L405-M409 HydrophobicContact CD1-CG 4.18Å; L405-M409 HydrophobicContact CD1-SD 4.24Å; L405-M409 HydrophobicContact CG-CG 4.38Å; L405-M409 HydrophobicContact CG-SD 4.07Å; L405-M409 VanDerWaalsContact O-CG 3.29Å; L405-M409 WeakPolarHBondContact O-CG 3.41Å; L405-M409 PolarHBondContact O-N 3.41Å; A406-M409 PolarHBondContact O-N 3.1Å; I407-M409 PolarHBondContact O-N 3.15Å; M409-V411 VanDerWaalsContact C-N 3.33Å; M409-V411 PolarHBondContact O-N 3.21Å; M409-G413 PolarHBondContact O-N 3.04Å
410S93.3Very high93.5Very high38 Ų3860.7 Ų60.727%0.26631%0.313SS..Hα-helixtrans-69.8-26.4-17977.20000114.1F171 A406 I407 L408 G413 V414F171-S410 VanDerWaalsContact CE2-CA 3.41Å; A406-S410 WeakPolarHBondContact O-CB 3.49Å; A406-S410 PolarHBondContact O-N 3.37Å; I407-S410 WeakPolarHBondContact O-CB 3.27Å; I407-S410 PolarHBondContact O-N 3.49Å; I407-S410 VanDerWaalsContact O-N 3.1Å; I407-S410 PolarHBondContact O-OG 3.31Å; L408-S410 VanDerWaalsContact C-N 3.26Å; L408-S410 PolarHBondContact O-N 3.38Å; S410-G413 PolarHBondContact O-N 3.1Å; S410-V414 WeakPolarHBondContact O-CB 3.33Å; S410-V414 VanDerWaalsContact O-CG2 3.27Å; S410-V414 WeakPolarHBondContact O-CG2 3.11Å; S410-V414 PolarHBondContact O-N 3.44Å
411V91.5Very high93.4Very high94 Ų9458.8 Ų58.857%0.5730%0.304SS*.Hα-helixtrans-58.6-54.6178.9177.80000110.6I407 L408 M409 I415I407-V411 PolarHBondContact O-N 3.1Å; L408-V411 PolarHBondContact O-N 2.89Å; M409-V411 VanDerWaalsContact C-N 3.33Å; M409-V411 PolarHBondContact O-N 3.21Å; V411-I415 VanDerWaalsContact O-CD1 3.23Å; V411-I415 WeakPolarHBondContact O-CD1 3.44Å; V411-I415 VanDerWaalsContact O-CG1 3.26Å; V411-I415 WeakPolarHBondContact O-CG1 3.32Å
412Y91.9Very high93.6Very high57 Ų5758.9 Ų58.922%0.22431%0.314CS..Hα-helixtrans-76.2-37.9176.6-172-92.8000111.6E301 R304 V414 I415 H416E301-Y412 HydrophobicContact CG-CE1 4.2Å; E301-Y412 PolarHBondContact OE1-OH 3.1Å; R304-Y412 HydrophobicContact CB-CD1 4.45Å; R304-Y412 HydrophobicContact CB-CD2 3.93Å; R304-Y412 HydrophobicContact CB-CE1 4.3Å; R304-Y412 HydrophobicContact CB-CE2 3.76Å; R304-Y412 HydrophobicContact CB-CG 4.28Å; R304-Y412 HydrophobicContact CG-CE2 4.46Å; Y412-V414 PolarHBondContact O-N 3.31Å; Y412-I415 PolarHBondContact O-N 3.35Å; Y412-H416 HydrophobicContact CD1-CB 4.48Å; Y412-H416 HydrophobicContact CE1-CB 4.27Å; Y412-H416 WeakPolarHBondContact O-CB 3.48Å; Y412-H416 PolarHBondContact O-N 3.01Å
413G92.3Very high93.4Very high0 Ų061.6 Ų61.60%033%0.328CS..Hα-helixtrans-61.5-43.4-175.600000114.2F171 M409 S410 H416 V417F171-G413 VanDerWaalsContact CD1-C 3.5Å; F171-G413 VanDerWaalsContact CG-CA 3.43Å; M409-G413 PolarHBondContact O-N 3.04Å; S410-G413 PolarHBondContact O-N 3.1Å; G413-H416 PolarHBondContact O-N 3.18Å; G413-V417 WeakPolarHBondContact O-CG2 3.42Å; G413-V417 PolarHBondContact O-N 2.62Å
414V93.3Very high93.2Very high62 Ų6267.1 Ų67.138%0.37635%0.349SS..Hα-helixtrans-68.3-41.9177.4173.30000110.9F171 S410 Y412 H416 V417 Q418F171-V414 HydrophobicContact CE1-CG2 4Å; F171-V414 HydrophobicContact CZ-CG2 4.18Å; S410-V414 WeakPolarHBondContact O-CB 3.33Å; S410-V414 VanDerWaalsContact O-CG2 3.27Å; S410-V414 WeakPolarHBondContact O-CG2 3.11Å; S410-V414 PolarHBondContact O-N 3.44Å; Y412-V414 PolarHBondContact O-N 3.31Å; V414-H416 VanDerWaalsContact C-N 3.29Å; V414-H416 PolarHBondContact O-N 2.93Å; V414-V417 PolarHBondContact O-N 3.39Å; V414-Q418 HydrophobicContact CG1-CG 4.22Å; V414-Q418 WeakPolarHBondContact O-CB 3.32Å; V414-Q418 VanDerWaalsContact O-CG 3.28Å; V414-Q418 WeakPolarHBondContact O-CG 3.22Å; V414-Q418 PolarHBondContact O-N 3.38Å
415I93.3Very high92.9Very high99 Ų9963.6 Ų63.651%0.50834%0.337SS..Hα-helixtrans-59.3-43.6175.9-65.5169.9000110.4V411 Y412 Q418 K419V411-I415 VanDerWaalsContact O-CD1 3.23Å; V411-I415 WeakPolarHBondContact O-CD1 3.44Å; V411-I415 VanDerWaalsContact O-CG1 3.26Å; V411-I415 WeakPolarHBondContact O-CG1 3.32Å; Y412-I415 PolarHBondContact O-N 3.35Å; I415-Q418 PolarHBondContact O-N 2.84Å; I415-K419 WeakPolarHBondContact O-CB 3.25Å; I415-K419 PolarHBondContact O-N 2.66Å
416H91.4Very high92.5Very high10 Ų1068.3 Ų68.35%0.04636%0.358CS..Hα-helixtrans-64.9-45.9178.1-178.8-118.3000112F171 E301 Y412 G413 V414 Q418 K419 E420F171-H416 PolarHBondContact O-ND1 3.44Å; E301-H416 IonicContact OE1-CD2 3.23Å; E301-H416 IonicContact OE1-NE2 3.67Å; Y412-H416 HydrophobicContact CD1-CB 4.48Å; Y412-H416 HydrophobicContact CE1-CB 4.27Å; Y412-H416 WeakPolarHBondContact O-CB 3.48Å; Y412-H416 PolarHBondContact O-N 3.01Å; G413-H416 PolarHBondContact O-N 3.18Å; V414-H416 VanDerWaalsContact C-N 3.29Å; V414-H416 PolarHBondContact O-N 2.93Å; H416-Q418 PolarHBondContact O-N 2.86Å; H416-K419 WeakPolarHBondContact O-CB 3.38Å; H416-K419 PolarHBondContact O-N 2.94Å; H416-E420 WeakPolarHBondContact O-CG 3.34Å; H416-E420 PolarHBondContact O-N 3.3Å
417V93.4Very high92.2Very high19 Ų1968.5 Ų68.512%0.11535%0.354CS..Hα-helixtrans-62.2-42.2176.2168.70000111.7Y11 L170 F171 G413 V414 K419 E420 L421Y11-V417 HydrophobicContact CE2-CG1 4.11Å; L170-V417 HydrophobicContact CG-CG2 4.24Å; F171-V417 HydrophobicContact CD1-CG2 4.2Å; G413-V417 WeakPolarHBondContact O-CG2 3.42Å; G413-V417 PolarHBondContact O-N 2.62Å; V414-V417 PolarHBondContact O-N 3.39Å; V417-K419 VanDerWaalsContact C-N 3.34Å; V417-E420 PolarHBondContact O-N 2.94Å; V417-L421 HydrophobicContact CG1-CD1 3.82Å; V417-L421 HydrophobicContact CG1-CG 4.37Å; V417-L421 WeakPolarHBondContact O-CB 3.32Å; V417-L421 VanDerWaalsContact O-CG 3.31Å; V417-L421 WeakPolarHBondContact O-CG 3.46Å; V417-L421 PolarHBondContact O-N 3.5Å
418Q94.1Very high91.9Very high120 Ų12067.3 Ų67.356%0.56136%0.356SS*.Hα-helixtrans-62.9-41.4176.1-76.5176.1-16.800111.6V414 I415 H416 L421 S422V414-Q418 HydrophobicContact CG1-CG 4.22Å; V414-Q418 WeakPolarHBondContact O-CB 3.32Å; V414-Q418 VanDerWaalsContact O-CG 3.28Å; V414-Q418 WeakPolarHBondContact O-CG 3.22Å; V414-Q418 PolarHBondContact O-N 3.38Å; I415-Q418 PolarHBondContact O-N 2.84Å; H416-Q418 PolarHBondContact O-N 2.86Å; Q418-L421 PolarHBondContact O-N 2.91Å; Q418-S422 VanDerWaalsContact O-CB 3.27Å; Q418-S422 WeakPolarHBondContact O-CB 3.19Å; Q418-S422 PolarHBondContact O-N 3.33Å; Q418-S422 PolarHBondContact O-OG 3.41Å
419K92.9Very high91.6Very high128 Ų12864.2 Ų64.256%0.55734%0.34SS*.Hα-helixtrans-59.7-49.7175.9-177.7-175.3173.3-168.80111.2I415 H416 V417 L421 S422 I423I415-K419 WeakPolarHBondContact O-CB 3.25Å; I415-K419 PolarHBondContact O-N 2.66Å; H416-K419 WeakPolarHBondContact O-CB 3.38Å; H416-K419 PolarHBondContact O-N 2.94Å; V417-K419 VanDerWaalsContact C-N 3.34Å; K419-L421 PolarHBondContact O-N 3.28Å; K419-S422 WeakPolarHBondContact CA-OG 3.17Å; K419-S422 PolarHBondContact O-N 2.98Å; K419-S422 VanDerWaalsContact O-N 3.1Å; K419-S422 PolarHBondContact O-OG 2.9Å; K419-I423 PolarHBondContact O-N 2.63Å
420E91.2Very high91.3Very high24 Ų2467.6 Ų67.611%0.11236%0.357CS..Hα-helixtrans-65.1-39.3179.4-66.6-64.4129.500112L15 H416 V417 S422 I423L15-E420 HydrophobicContact CD2-CB 4.02Å; H416-E420 WeakPolarHBondContact O-CG 3.34Å; H416-E420 PolarHBondContact O-N 3.3Å; V417-E420 PolarHBondContact O-N 2.94Å; E420-S422 PolarHBondContact O-N 3.25Å; E420-I423 WeakPolarHBondContact O-CB 3.21Å; E420-I423 PolarHBondContact O-N 3.4Å; E420-I423 WeakPolarHBondContact OE2-CD1 3.48Å
421L93.9Very high91.3Very high63 Ų6370.6 Ų70.633%0.3337%0.366SS..Hα-helixtrans-69.1-19.7173.7-73.8174.1000113.5Y11 I14 L15 N18 V417 Q418 K419Y11-L421 HydrophobicContact CD2-CD2 4.1Å; Y11-L421 HydrophobicContact CE2-CD1 4.09Å; Y11-L421 HydrophobicContact CE2-CD2 3.67Å; Y11-L421 HydrophobicContact CE2-CG 3.93Å; I14-L421 HydrophobicContact CB-CD2 4.5Å; I14-L421 HydrophobicContact CG2-CD2 3.72Å; L15-L421 HydrophobicContact CD2-CD2 3.92Å; L15-L421 HydrophobicContact CD2-CG 4.43Å; L15-L421 HydrophobicContact CG-CD2 4.39Å; N18-L421 PolarHBondContact ND2-O 2.86Å; V417-L421 HydrophobicContact CG1-CD1 3.82Å; V417-L421 HydrophobicContact CG1-CG 4.37Å; V417-L421 WeakPolarHBondContact O-CB 3.32Å; V417-L421 VanDerWaalsContact O-CG 3.31Å; V417-L421 WeakPolarHBondContact O-CG 3.46Å; V417-L421 PolarHBondContact O-N 3.5Å; Q418-L421 PolarHBondContact O-N 2.91Å; K419-L421 PolarHBondContact O-N 3.28Å
422S94.5Very high91.4Very high81 Ų8166.8 Ų66.857%0.56634%0.342SS*.Hα-helixtrans-86.8-10.2177.474.20000113.5Q418 K419 E420 K424Q418-S422 VanDerWaalsContact O-CB 3.27Å; Q418-S422 WeakPolarHBondContact O-CB 3.19Å; Q418-S422 PolarHBondContact O-N 3.33Å; Q418-S422 PolarHBondContact O-OG 3.41Å; K419-S422 WeakPolarHBondContact CA-OG 3.17Å; K419-S422 PolarHBondContact O-N 2.98Å; K419-S422 VanDerWaalsContact O-N 3.1Å; K419-S422 PolarHBondContact O-OG 2.9Å; E420-S422 PolarHBondContact O-N 3.25Å; S422-K424 PolarHBondContact O-N 3Å
423I91.8Very high91.4Very high58 Ų5865.1 Ų65.130%0.29734%0.336SS..  trans-60.9128174.6-63.4174.1000107.9N18 K419 E420N18-I423 VanDerWaalsContact CB-O 3.24Å; N18-I423 WeakPolarHBondContact CB-O 3.36Å; K419-I423 PolarHBondContact O-N 2.63Å; E420-I423 WeakPolarHBondContact O-CB 3.21Å; E420-I423 PolarHBondContact O-N 3.4Å; E420-I423 WeakPolarHBondContact OE2-CD1 3.48Å
424K89.5Confident91.4Very high197 Ų19770.5 Ų70.586%0.85736%0.361SS*.  trans-125.282.8170.8-67.4-175.3179.2-174.80107.1S422S422-K424 PolarHBondContact O-N 3Å
425G88.5Confident91.5Very high26 Ų2667.5 Ų67.527%0.26834%0.343SS..  trans-89.7158173.900000111.2N18 D19N18-G425 PolarHBondContact O-N 2.82Å; D19-G425 CarbonylContact O-C 3.6Å; D19-G425 WeakPolarHBondContact O-CA 3.34Å
426E86.9Confident91.7Very high125 Ų12562.8 Ų62.858%0.58432%0.319SS*.  trans-135.7129171.8-177.4174-167.600107.4H21 H24H21-E426 HydrophobicContact CB-CB 4.5Å; H21-E426 HydrophobicContact CB-CG 4.43Å; H24-E426 IonicContact ND1-OE1 3.27Å
427F88.8Confident91.8Very high27 Ų2767 Ų6712%0.11834%0.339CS..  trans-80124.3174.8176.5-96.5000110R20 L25 E29 M32 D429R20-F427 HydrophobicContact CB-CB 4.42Å; R20-F427 PolarHBondContact O-N 2.76Å; R20-F427 VanDerWaalsContact O-N 3.08Å; L25-F427 HydrophobicContact CD1-CB 4.01Å; L25-F427 HydrophobicContact CD1-CD1 4.07Å; L25-F427 HydrophobicContact CD1-CG 4.41Å; L25-F427 HydrophobicContact CD2-CB 4.35Å; L25-F427 HydrophobicContact CD2-CD1 4.4Å; L25-F427 WeakPolarHBondContact CD2-O 3.43Å; E29-F427 WeakPolarHBondContact O-CE1 3.41Å; M32-F427 HydrophobicContact CB-CE1 3.88Å; M32-F427 HydrophobicContact CB-CZ 3.85Å; F427-D429 HydrophobicContact CZ-CB 4.03Å
428S87.2Confident92Very high80 Ų8068.3 Ų68.356%0.55934%0.342SS*.  trans-145.9127.3172.1-174.70000110.4
429D90.1Very high92.1Very high39 Ų3962.6 Ų62.621%0.20932%0.316CS..  trans-145.463.3174.9-155.5-32.1000110.7R35 F427 K431 Q432 E433R35-D429 IonicContact NH2-OD2 3.33Å; R35-D429 PolarHBondContact NH2-OD2 2.86Å; F427-D429 HydrophobicContact CZ-CB 4.03Å; D429-K431 PolarHBondContact O-N 3.28Å; D429-Q432 HydrophobicContact CB-CB 4.17Å; D429-Q432 PolarHBondContact O-N 3.16Å; D429-Q432 VanDerWaalsContact O-N 3.07Å; D429-Q432 VanDerWaalsContact OD1-CB 3.32Å; D429-Q432 WeakPolarHBondContact OD1-CB 3.36Å; D429-Q432 PolarHBondContact OD1-N 3.48Å; D429-Q432 PolarHBondContact OD2-OE1 3.33Å; D429-E433 PolarHBondContact O-N 3.31Å
430L88.5Confident92.3Very high73 Ų7362.5 Ų62.538%0.38232%0.315SS..Hα-helixtrans-55.8-35.6-174.6-62.6176.2000112.9Q432 E433 E434L430-Q432 VanDerWaalsContact C-N 3.35Å; L430-Q432 PolarHBondContact O-N 3.15Å; L430-E433 WeakPolarHBondContact O-CB 3.05Å; L430-E433 PolarHBondContact O-N 2.58Å; L430-E434 WeakPolarHBondContact O-CB 3.43Å; L430-E434 VanDerWaalsContact O-CG 3.31Å; L430-E434 WeakPolarHBondContact O-CG 3.23Å; L430-E434 PolarHBondContact O-N 2.86Å
431K91.7Very high92.5Very high101 Ų10169.7 Ų69.744%0.43935%0.346SS..Hα-helixtrans-68.5-35.9-179.8-65.1179.8-175.9168.90112D429 L435 V566 F567D429-K431 PolarHBondContact O-N 3.28Å; K431-L435 PolarHBondContact O-N 3.49Å; K431-V566 HydrophobicContact CD-CB 4.08Å; K431-V566 HydrophobicContact CD-CG2 3.43Å; K431-V566 VanDerWaalsContact CD-CG2 3.43Å; K431-F567 HydrophobicContact CB-CD2 4.49Å; K431-F567 HydrophobicContact CB-CE2 4.31Å
432Q93.6Very high92.7Very high14 Ų1470.7 Ų70.77%0.06535%0.352CS..Hα-helixtrans-72.6-37.3173.6-172.6172.7-1.500110.9M32 D429 L430 L435 L436 I455 S458 F567M32-Q432 HydrophobicContact SD-CB 4.28Å; M32-Q432 HydrophobicContact SD-CG 4.18Å; D429-Q432 HydrophobicContact CB-CB 4.17Å; D429-Q432 PolarHBondContact O-N 3.16Å; D429-Q432 VanDerWaalsContact O-N 3.07Å; D429-Q432 VanDerWaalsContact OD1-CB 3.32Å; D429-Q432 WeakPolarHBondContact OD1-CB 3.36Å; D429-Q432 PolarHBondContact OD1-N 3.48Å; D429-Q432 PolarHBondContact OD2-OE1 3.33Å; L430-Q432 VanDerWaalsContact C-N 3.35Å; L430-Q432 PolarHBondContact O-N 3.15Å; Q432-L435 PolarHBondContact O-N 3.01Å; Q432-L436 HydrophobicContact CG-CD1 3.99Å; Q432-L436 HydrophobicContact CG-CG 4.45Å; Q432-L436 VanDerWaalsContact O-CG 3.29Å; Q432-L436 WeakPolarHBondContact O-CG 3.25Å; Q432-L436 PolarHBondContact O-N 3.17Å; Q432-I455 HydrophobicContact CG-CD1 3.92Å; Q432-S458 PolarHBondContact NE2-OG 2.64Å; Q432-F567 HydrophobicContact CB-CE2 4.06Å; Q432-F567 HydrophobicContact CB-CZ 4.23Å; Q432-F567 HydrophobicContact CG-CZ 4.42Å
433E92.2Very high92.8Very high22 Ų2267.3 Ų67.310%0.10333%0.328CS..Hα-helixtrans-58.5-51.2173.9-161.5-177.1162.300111.5M28 M32 R113 D429 L430 L435 L436 M437M28-E433 HydrophobicContact CG-CG 4.23Å; M32-E433 HydrophobicContact CE-CB 3.64Å; M32-E433 HydrophobicContact CE-CG 3.72Å; M32-E433 WeakPolarHBondContact SD-CA 3.19Å; M32-E433 HydrophobicContact SD-CB 3.82Å; M32-E433 HydrophobicContact SD-CG 4.26Å; M32-E433 PolarHBondContact SD-N 3.34Å; M32-E433 VanDerWaalsContact SD-N 3.4Å; R113-E433 IonicContact CZ-OE1 3.81Å; R113-E433 IonicContact NH1-OE1 2.9Å; R113-E433 PolarHBondContact NH1-OE1 3.5Å; R113-E433 IonicContact NH1-OE2 3.31Å; R113-E433 PolarHBondContact NH1-OE2 3.24Å; R113-E433 IonicContact NH2-OE1 3.9Å; D429-E433 PolarHBondContact O-N 3.31Å; L430-E433 WeakPolarHBondContact O-CB 3.05Å; L430-E433 PolarHBondContact O-N 2.58Å; E433-L435 VanDerWaalsContact C-N 3.31Å; E433-L435 PolarHBondContact O-N 3.18Å; E433-L436 PolarHBondContact O-N 2.65Å; E433-M437 HydrophobicContact CG-CG 4.4Å; E433-M437 WeakPolarHBondContact O-CB 3.3Å; E433-M437 VanDerWaalsContact O-CG 3.3Å; E433-M437 WeakPolarHBondContact O-CG 3.42Å; E433-M437 PolarHBondContact O-N 2.72Å
434E92.7Very high93.1Very high112 Ų11267.7 Ų67.752%0.52334%0.335SS..Hα-helixtrans-56.4-44.3177.9-76.7173.9-173.200111.9L430 W438L430-E434 WeakPolarHBondContact O-CB 3.43Å; L430-E434 VanDerWaalsContact O-CG 3.31Å; L430-E434 WeakPolarHBondContact O-CG 3.23Å; L430-E434 PolarHBondContact O-N 2.86Å; E434-W438 VanDerWaalsContact O-CB 3.25Å; E434-W438 WeakPolarHBondContact O-CB 3.13Å; E434-W438 PolarHBondContact O-N 2.85Å
435L96.2Very high93.3Very high0 Ų062.7 Ų62.70%032%0.323CS..Hα-helixtrans-60.5-50.8176.5171.366.2000111K431 Q432 E433 M437 W438 I439 I455 I510 Y562 F567 V569K431-L435 PolarHBondContact O-N 3.49Å; Q432-L435 PolarHBondContact O-N 3.01Å; E433-L435 VanDerWaalsContact C-N 3.31Å; E433-L435 PolarHBondContact O-N 3.18Å; L435-M437 PolarHBondContact O-N 2.99Å; L435-W438 WeakPolarHBondContact O-CB 3.04Å; L435-W438 PolarHBondContact O-N 2.85Å; L435-I439 HydrophobicContact CD1-CD1 4.14Å; L435-I439 HydrophobicContact CD1-CG1 4.37Å; L435-I439 HydrophobicContact CG-CD1 4.12Å; L435-I439 WeakPolarHBondContact O-CG1 3.31Å; L435-I439 PolarHBondContact O-N 2.87Å; L435-I455 HydrophobicContact CD2-CD1 4.02Å; L435-I455 HydrophobicContact CD2-CG1 4.11Å; L435-I510 HydrophobicContact CD2-CD1 4.46Å; L435-I510 HydrophobicContact CD2-CG2 4.18Å; L435-Y562 HydrophobicContact CB-CE1 4.31Å; L435-Y562 HydrophobicContact CD1-CD1 3.93Å; L435-Y562 HydrophobicContact CD1-CE1 3.79Å; L435-F567 HydrophobicContact CB-CD2 4.37Å; L435-F567 HydrophobicContact CD1-CB 4.48Å; L435-F567 HydrophobicContact CD2-CB 3.97Å; L435-F567 HydrophobicContact CD2-CD1 3.73Å; L435-F567 HydrophobicContact CD2-CD2 4Å; L435-F567 HydrophobicContact CD2-CE1 4.17Å; L435-F567 HydrophobicContact CD2-CE2 4.44Å; L435-F567 HydrophobicContact CD2-CG 3.64Å; L435-V569 HydrophobicContact CD1-CG2 3.48Å; L435-V569 VanDerWaalsContact CD1-CG2 3.48Å
436L96Very high93.7Very high0 Ų066.3 Ų66.30%034%0.337CS..Hα-helixtrans-68.7-36.4-175.9-66.1167.2000111.8M28 M32 Q432 E433 I439 K440 V459M28-L436 HydrophobicContact CE-CB 3.15Å; M28-L436 HydrophobicContact CE-CD1 3.78Å; M28-L436 HydrophobicContact CE-CG 4.08Å; M32-L436 HydrophobicContact CG-CD1 3.64Å; M32-L436 HydrophobicContact SD-CD1 3.8Å; Q432-L436 HydrophobicContact CG-CD1 3.99Å; Q432-L436 HydrophobicContact CG-CG 4.45Å; Q432-L436 VanDerWaalsContact O-CG 3.29Å; Q432-L436 WeakPolarHBondContact O-CG 3.25Å; Q432-L436 PolarHBondContact O-N 3.17Å; E433-L436 PolarHBondContact O-N 2.65Å; L436-I439 PolarHBondContact O-N 3.3Å; L436-K440 WeakPolarHBondContact O-CB 3.44Å; L436-K440 PolarHBondContact O-N 3.08Å; L436-V459 HydrophobicContact CD2-CB 4.48Å; L436-V459 HydrophobicContact CD2-CG2 3.95Å
437M94.3Very high94.1Very high98 Ų9860.5 Ų60.548%0.48331%0.31SS..Hα-helixtrans-64.7-41171.9-73.5-63.4-74.300111.6E433 L435 K440 K441E433-M437 HydrophobicContact CG-CG 4.4Å; E433-M437 WeakPolarHBondContact O-CB 3.3Å; E433-M437 VanDerWaalsContact O-CG 3.3Å; E433-M437 WeakPolarHBondContact O-CG 3.42Å; E433-M437 PolarHBondContact O-N 2.72Å; L435-M437 PolarHBondContact O-N 2.99Å; M437-K440 PolarHBondContact O-N 3.13Å; M437-K441 VanDerWaalsContact O-CB 3.3Å; M437-K441 WeakPolarHBondContact O-CB 3.1Å; M437-K441 PolarHBondContact O-N 3.35Å
438W96.5Very high94.6Very high47 Ų4759.2 Ų59.218%0.17830%0.304CS..Hα-helixtrans-61.5-44173.6178.996.3000111.5E434 L435 K441 N442 T443 V561 Y562 V569E434-W438 VanDerWaalsContact O-CB 3.25Å; E434-W438 WeakPolarHBondContact O-CB 3.13Å; E434-W438 PolarHBondContact O-N 2.85Å; L435-W438 WeakPolarHBondContact O-CB 3.04Å; L435-W438 PolarHBondContact O-N 2.85Å; W438-K441 PolarHBondContact O-N 2.91Å; W438-N442 HydrophobicContact CD2-CB 4.37Å; W438-N442 HydrophobicContact CZ2-CB 4.26Å; W438-N442 PolarHBondContact NE1-ND2 2.84Å; W438-N442 VanDerWaalsContact NE1-ND2 3.11Å; W438-N442 VanDerWaalsContact O-CB 3.32Å; W438-N442 WeakPolarHBondContact O-CB 3.34Å; W438-N442 PolarHBondContact O-N 3.43Å; W438-N442 PolarHBondContact O-ND2 3Å; W438-T443 HydrophobicContact CH2-CG2 4.38Å; W438-T443 HydrophobicContact CZ3-CG2 4.17Å; W438-V561 HydrophobicContact CH2-CB 4.21Å; W438-V561 HydrophobicContact CH2-CG2 3.63Å; W438-V561 HydrophobicContact CZ2-CB 4.18Å; W438-V561 HydrophobicContact CZ2-CG2 4.08Å; W438-Y562 HydrophobicContact CB-CD2 4.08Å; W438-Y562 HydrophobicContact CB-CE2 3.94Å; W438-Y562 AromaticContact CD1-CD2 3.44Å; W438-Y562 VanDerWaalsContact CD1-CD2 3.44Å; W438-Y562 AromaticContact CD1-CE2 3.94Å; W438-Y562 AromaticContact CD2-CD2 3.71Å; W438-Y562 HydrophobicContact CD2-CD2 3.71Å; W438-Y562 HydrophobicContact CD2-CE2 4.47Å; W438-Y562 HydrophobicContact CD2-CG 4.04Å; W438-Y562 AromaticContact CE2-CD2 3.91Å; W438-Y562 HydrophobicContact CE3-CD2 4.42Å; W438-Y562 HydrophobicContact CE3-CG 4.36Å; W438-Y562 AromaticContact CG-CD2 3.48Å; W438-Y562 HydrophobicContact CG-CD2 3.48Å; W438-Y562 VanDerWaalsContact CG-CD2 3.48Å; W438-Y562 AromaticContact CG-CE2 3.86Å; W438-Y562 HydrophobicContact CG-CE2 3.86Å; W438-Y562 HydrophobicContact CG-CG 4.27Å; W438-Y562 AromaticContact NE1-CD2 3.7Å; W438-V569 HydrophobicContact CH2-CB 4.45Å; W438-V569 HydrophobicContact CH2-CG1 4.32Å; W438-V569 HydrophobicContact CZ3-CB 4.22Å; W438-V569 HydrophobicContact CZ3-CG1 4.06Å; W438-V569 HydrophobicContact CZ3-CG2 4.16Å
439I97.9Very high95.1Very high0 Ų055.4 Ų55.40%028%0.278CS..Hα-helixtrans-59.3-50.1176.4-69.6170.3000110.1L435 L436 K441 T443 F449 V459 A463 R465 I510L435-I439 HydrophobicContact CD1-CD1 4.14Å; L435-I439 HydrophobicContact CD1-CG1 4.37Å; L435-I439 HydrophobicContact CG-CD1 4.12Å; L435-I439 WeakPolarHBondContact O-CG1 3.31Å; L435-I439 PolarHBondContact O-N 2.87Å; L436-I439 PolarHBondContact O-N 3.3Å; I439-K441 VanDerWaalsContact C-N 3.29Å; I439-K441 PolarHBondContact O-N 2.91Å; I439-T443 WeakPolarHBondContact O-CB 3.37Å; I439-T443 PolarHBondContact O-N 2.9Å; I439-T443 VanDerWaalsContact O-N 3.12Å; I439-T443 PolarHBondContact O-OG1 3.39Å; I439-F449 HydrophobicContact CB-CZ 4.24Å; I439-F449 HydrophobicContact CD1-CD1 4.33Å; I439-F449 HydrophobicContact CD1-CE1 3.84Å; I439-F449 HydrophobicContact CD1-CZ 4.2Å; I439-F449 HydrophobicContact CG1-CE1 3.84Å; I439-F449 HydrophobicContact CG1-CZ 3.86Å; I439-F449 HydrophobicContact CG2-CE1 4.24Å; I439-F449 HydrophobicContact CG2-CE2 3.74Å; I439-F449 HydrophobicContact CG2-CZ 3.5Å; I439-F449 VanDerWaalsContact CG2-CZ 3.5Å; I439-V459 HydrophobicContact CD1-CG2 3.8Å; I439-A463 HydrophobicContact CB-CB 4.22Å; I439-A463 HydrophobicContact CG2-CB 3.63Å; I439-R465 HydrophobicContact CG2-CG 3.76Å; I439-I510 HydrophobicContact CD1-CD1 3.79Å
440K95.9Very high95.4Very high125 Ų12553.6 Ų53.654%0.54327%0.268SS..Hα-helixtrans-60.8-38.4-178.3-169.7175.2-177.2176.50112.2L436 M437 R465L436-K440 WeakPolarHBondContact O-CB 3.44Å; L436-K440 PolarHBondContact O-N 3.08Å; M437-K440 PolarHBondContact O-N 3.13Å; K440-R465 PolarHBondContact O-NH2 2.9Å
441K96.4Very high95.8Very high176 Ų17650.1 Ų50.177%0.76525%0.25SC*.Hα-helixtrans-81-39.4-177.1-174.9176.5177.7179.40113.8M437 W438 I439M437-K441 VanDerWaalsContact O-CB 3.3Å; M437-K441 WeakPolarHBondContact O-CB 3.1Å; M437-K441 PolarHBondContact O-N 3.35Å; W438-K441 PolarHBondContact O-N 2.91Å; I439-K441 VanDerWaalsContact C-N 3.29Å; I439-K441 PolarHBondContact O-N 2.91Å
442N97.2Very high95.9Very high83 Ų8345.5 Ų45.544%0.44423%0.23SC..Hα-helixtrans-109.1-0.3-166.4-61.4-53.1000114.5W438W438-N442 HydrophobicContact CD2-CB 4.37Å; W438-N442 HydrophobicContact CZ2-CB 4.26Å; W438-N442 PolarHBondContact NE1-ND2 2.84Å; W438-N442 VanDerWaalsContact NE1-ND2 3.11Å; W438-N442 VanDerWaalsContact O-CB 3.32Å; W438-N442 WeakPolarHBondContact O-CB 3.34Å; W438-N442 PolarHBondContact O-N 3.43Å; W438-N442 PolarHBondContact O-ND2 3Å
443T97.4Very high95.7Very high11 Ų1145.8 Ų45.87%0.06723%0.231CC..SBendtrans-125.3149.7178.172.10000112.2W438 I439 F449 R465 Y508W438-T443 HydrophobicContact CH2-CG2 4.38Å; W438-T443 HydrophobicContact CZ3-CG2 4.17Å; I439-T443 WeakPolarHBondContact O-CB 3.37Å; I439-T443 PolarHBondContact O-N 2.9Å; I439-T443 VanDerWaalsContact O-N 3.12Å; I439-T443 PolarHBondContact O-OG1 3.39Å; T443-F449 HydrophobicContact CG2-CE2 4.47Å; T443-F449 HydrophobicContact CG2-CZ 3.83Å; T443-R465 PolarHBondContact O-NH2 3.43Å; T443-R465 PolarHBondContact OG1-NE 2.9Å; T443-Y508 HydrophobicContact CG2-CD2 4.49Å; T443-Y508 HydrophobicContact CG2-CE1 4.39Å; T443-Y508 HydrophobicContact CG2-CE2 3.93Å
444S96.7Very high95.7Very high65 Ų6547.5 Ų47.546%0.45524%0.244SC..  trans-67149.6176.7-171.30000111.6D446 A447 R465S444-D446 WeakPolarHBondContact CB-OD1 3.2Å; S444-D446 PolarHBondContact O-N 2.04Å; S444-D446 VanDerWaalsContact O-N 3.17Å; S444-D446 PolarHBondContact OG-OD1 2.94Å; S444-A447 WeakPolarHBondContact O-CB 2.99Å; S444-A447 PolarHBondContact O-N 3.14Å; S444-R465 VanDerWaalsContact O-CD 3.28Å; S444-R465 WeakPolarHBondContact O-CD 3.24Å; S444-R465 PolarHBondContact O-NE 2.83Å
445P95.1Very high95.7Very high93 Ų9342.3 Ų42.360%0.60422%0.22SC*.THydrogen-bonded Turntrans-56.4-25.7177.7-27.836.8000116.1P466P445-P466 WeakPolarHBondContact O-CD 3.39Å
446D95.3Very high95.7Very high102 Ų10242.3 Ų42.355%0.54522%0.22SC..THydrogen-bonded Turntrans-91.32.4176.565.1-33.5000113.4S444 V448S444-D446 WeakPolarHBondContact CB-OD1 3.2Å; S444-D446 PolarHBondContact O-N 2.04Å; S444-D446 VanDerWaalsContact O-N 3.17Å; S444-D446 PolarHBondContact OG-OD1 2.94Å; D446-V448 PolarHBondContact O-N 3.14Å
447A97.2Very high95.6Very high3 Ų342.3 Ų42.33%0.02522%0.22CC..  trans-65.8122.9178.100000111.5S444 F449 P466 Y508S444-A447 WeakPolarHBondContact O-CB 2.99Å; S444-A447 PolarHBondContact O-N 3.14Å; A447-F449 HydrophobicContact CB-CE2 4.01Å; A447-F449 WeakPolarHBondContact O-CD2 3.46Å; A447-P466 WeakPolarHBondContact O-CD 3.38Å; A447-Y508 HydrophobicContact CB-CD2 4.15Å; A447-Y508 HydrophobicContact CB-CE2 3.85Å
448V97.7Very high95.7Very high0 Ų037.7 Ų37.70%020%0.198CC..  trans-89.9129.4-177.1-172.60000110.9F69 D446 P466 V468 H507 Y508F69-V448 HydrophobicContact CB-CG1 3.77Å; F69-V448 HydrophobicContact CD1-CB 4.38Å; F69-V448 HydrophobicContact CD1-CG1 3.71Å; F69-V448 HydrophobicContact CD1-CG2 3.87Å; F69-V448 HydrophobicContact CD2-CG1 4.19Å; F69-V448 HydrophobicContact CD2-CG2 3.49Å; F69-V448 VanDerWaalsContact CD2-CG2 3.49Å; F69-V448 HydrophobicContact CE1-CG1 4.37Å; F69-V448 HydrophobicContact CE1-CG2 3.81Å; F69-V448 HydrophobicContact CE2-CG2 3.42Å; F69-V448 VanDerWaalsContact CE2-CG2 3.42Å; F69-V448 HydrophobicContact CG-CB 4.32Å; F69-V448 HydrophobicContact CG-CG1 3.59Å; F69-V448 HydrophobicContact CG-CG2 3.72Å; F69-V448 HydrophobicContact CZ-CG2 3.58Å; D446-V448 PolarHBondContact O-N 3.14Å; V448-P466 WeakPolarHBondContact CA-O 3.39Å; V448-P466 HydrophobicContact CG2-CB 4.23Å; V448-V468 HydrophobicContact CG1-CG2 3.69Å; V448-H507 PolarHBondContact O-N 3.07Å; V448-Y508 PolarHBondContact O-N 3.09Å; V448-Y508 VanDerWaalsContact O-N 3.08Å
449F98.1Very high95.7Very high0 Ų035.5 Ų35.50%019%0.189CC..EExtended strand (participates in β ladder)trans-109.5140.7179.7-76-97.9000112.4I439 T443 A447 M456 V459 R465 P466 I467 V468 Y508 I510 V569I439-F449 HydrophobicContact CB-CZ 4.24Å; I439-F449 HydrophobicContact CD1-CD1 4.33Å; I439-F449 HydrophobicContact CD1-CE1 3.84Å; I439-F449 HydrophobicContact CD1-CZ 4.2Å; I439-F449 HydrophobicContact CG1-CE1 3.84Å; I439-F449 HydrophobicContact CG1-CZ 3.86Å; I439-F449 HydrophobicContact CG2-CE1 4.24Å; I439-F449 HydrophobicContact CG2-CE2 3.74Å; I439-F449 HydrophobicContact CG2-CZ 3.5Å; I439-F449 VanDerWaalsContact CG2-CZ 3.5Å; T443-F449 HydrophobicContact CG2-CE2 4.47Å; T443-F449 HydrophobicContact CG2-CZ 3.83Å; A447-F449 HydrophobicContact CB-CE2 4.01Å; A447-F449 WeakPolarHBondContact O-CD2 3.46Å; F449-M456 HydrophobicContact CB-CE 4.29Å; F449-M456 HydrophobicContact CB-SD 4.21Å; F449-V459 HydrophobicContact CB-CG1 4.1Å; F449-V459 HydrophobicContact CD2-CG1 4.17Å; F449-V459 HydrophobicContact CG-CG1 4.06Å; F449-R465 HydrophobicContact CD2-CB 3.74Å; F449-R465 HydrophobicContact CD2-CG 4.11Å; F449-R465 HydrophobicContact CE2-CB 4Å; F449-R465 HydrophobicContact CE2-CG 3.83Å; F449-P466 PolarHBondContact N-O 3.19Å; F449-I467 CarbonylContact O-C 3.39Å; F449-I467 WeakPolarHBondContact O-CA 3.42Å; F449-V468 PolarHBondContact O-N 3.12Å; F449-Y508 WeakPolarHBondContact CA-O 3.24Å; F449-Y508 HydrophobicContact CD1-CG 4.42Å; F449-Y508 HydrophobicContact CE1-CD2 4.17Å; F449-Y508 AromaticContact CE1-CG 3.91Å; F449-Y508 HydrophobicContact CE1-CG 3.91Å; F449-Y508 HydrophobicContact CE2-CD2 4.1Å; F449-Y508 AromaticContact CZ-CD2 3.85Å; F449-Y508 HydrophobicContact CZ-CD2 3.85Å; F449-Y508 HydrophobicContact CZ-CG 4.04Å; F449-I510 HydrophobicContact CD1-CD1 3.68Å; F449-I510 HydrophobicContact CD1-CG1 3.88Å; F449-I510 HydrophobicContact CE1-CD1 4.18Å; F449-I510 HydrophobicContact CE1-CG1 4.4Å; F449-V569 HydrophobicContact CE1-CG1 4.38Å
450A97.5Very high95.5Very high0 Ų036.4 Ų36.40%019%0.194CC..EExtended strand (participates in β ladder)trans-122.3154.9169.300000110V468 L485 A506 Y508 L509 I510A450-V468 HydrophobicContact CB-CB 4.13Å; A450-V468 HydrophobicContact CB-CG2 4.04Å; A450-L485 HydrophobicContact CB-CD1 3.85Å; A450-L485 HydrophobicContact CB-CD2 3.59Å; A450-L485 HydrophobicContact CB-CG 4.34Å; A450-A506 HydrophobicContact CB-CB 3.66Å; A450-Y508 PolarHBondContact N-O 3.46Å; A450-L509 HydrophobicContact CB-CD1 3.99Å; A450-L509 CarbonylContact O-C 3.5Å; A450-L509 WeakPolarHBondContact O-CA 3.13Å; A450-I510 PolarHBondContact O-N 2.8Å
451G95.5Very high95.5Very high0 Ų030.6 Ų30.60%017%0.169CC..EExtended strand (participates in β ladder)trans162.3-160.9177.400000111.5I510G451-I510 WeakPolarHBondContact CA-O 3.42Å
452Q93.4Very high95.4Very high4 Ų422.6 Ų22.62%0.01914%0.135CC..  trans-68.9144.3177.5-68.5167.5-65.800111.6P454 I455 M456 Y486 M488 F489 E512Q452-P454 VanDerWaalsContact C-CD 3.47Å; Q452-I455 HydrophobicContact CB-CG2 4.39Å; Q452-I455 VanDerWaalsContact O-CG2 3.25Å; Q452-I455 WeakPolarHBondContact O-CG2 3.46Å; Q452-I455 PolarHBondContact O-N 3.34Å; Q452-M456 WeakPolarHBondContact O-CG 3.35Å; Q452-M456 PolarHBondContact O-N 3.46Å; Q452-M456 VanDerWaalsContact O-N 3.16Å; Q452-Y486 HydrophobicContact CG-CE1 4.41Å; Q452-M488 HydrophobicContact CG-CE 3.88Å; Q452-F489 VanDerWaalsContact CD-CZ 3.47Å; Q452-F489 HydrophobicContact CG-CE2 3.79Å; Q452-F489 HydrophobicContact CG-CZ 3.74Å; Q452-E512 VanDerWaalsContact OE1-CG 3.25Å; Q452-E512 PolarHBondContact OE1-OE1 3.2Å
453M91Very high95.4Very high20 Ų2018.9 Ų18.910%0.09912%0.116CC..Hα-helixtrans-53.3-43.3-174.1-65.1178.4-111.400114.6L284 I455 M456 S457 P471 Y473 V482 Y486L284-M453 HydrophobicContact CD2-CE 4.16Å; M453-I455 PolarHBondContact O-N 2.8Å; M453-M456 PolarHBondContact O-N 2.9Å; M453-S457 PolarHBondContact O-N 3.07Å; M453-P471 HydrophobicContact CB-CB 4.39Å; M453-P471 HydrophobicContact CB-CG 4.18Å; M453-P471 WeakPolarHBondContact O-CG 3.18Å; M453-Y473 HydrophobicContact CE-CD2 4.03Å; M453-Y473 HydrophobicContact CE-CE2 4.13Å; M453-Y473 HydrophobicContact CE-CG 4.36Å; M453-Y473 HydrophobicContact SD-CD2 3.97Å; M453-Y473 HydrophobicContact SD-CG 4.3Å; M453-V482 HydrophobicContact CE-CG1 3.58Å; M453-V482 HydrophobicContact CE-CG2 4.16Å; M453-V482 HydrophobicContact CG-CG2 4.29Å; M453-V482 HydrophobicContact SD-CG2 4.18Å; M453-Y486 PolarHBondContact N-OH 2.96Å
454P91Very high95.2Very high58 Ų5820.5 Ų20.538%0.37713%0.134SC..Hα-helixtrans-62.3-46.2-178.4-23.936.1000112.8Q452 M456 S457Q452-P454 VanDerWaalsContact C-CD 3.47Å; P454-M456 VanDerWaalsContact C-N 3.34Å; P454-M456 PolarHBondContact O-N 3.28Å; P454-S457 PolarHBondContact O-N 2.85Å; P454-S457 PolarHBondContact O-OG 3.37Å
455I94.1Very high95.2Very high3 Ų318.4 Ų18.42%0.01512%0.117CC..Hα-helixtrans-69.9-31.7-179.3-166.361.2000112.1Q432 L435 Q452 M453 S457 S458 V459 I510 F567Q432-I455 HydrophobicContact CG-CD1 3.92Å; L435-I455 HydrophobicContact CD2-CD1 4.02Å; L435-I455 HydrophobicContact CD2-CG1 4.11Å; Q452-I455 HydrophobicContact CB-CG2 4.39Å; Q452-I455 VanDerWaalsContact O-CG2 3.25Å; Q452-I455 WeakPolarHBondContact O-CG2 3.46Å; Q452-I455 PolarHBondContact O-N 3.34Å; M453-I455 PolarHBondContact O-N 2.8Å; I455-S457 VanDerWaalsContact C-N 3.3Å; I455-S457 PolarHBondContact O-N 3.3Å; I455-S458 PolarHBondContact O-N 3.02Å; I455-S458 VanDerWaalsContact O-N 3.12Å; I455-V459 HydrophobicContact CG1-CG2 4.48Å; I455-V459 WeakPolarHBondContact O-CG2 3.34Å; I455-V459 PolarHBondContact O-N 3.16Å; I455-I510 HydrophobicContact CG1-CG2 4.35Å; I455-I510 HydrophobicContact CG2-CG2 4.24Å; I455-F567 HydrophobicContact CD1-CE1 3.99Å; I455-F567 HydrophobicContact CD1-CZ 4.26Å; I455-F567 HydrophobicContact CG1-CE1 4.2Å
456M95.7Very high95.3Very high0 Ų014.5 Ų14.50%09%0.091CC..Hα-helixtrans-60.1-39.5175-67-61.79600112.1F449 Q452 M453 P454 S458 V459 M460 I467 A469 I510F449-M456 HydrophobicContact CB-CE 4.29Å; F449-M456 HydrophobicContact CB-SD 4.21Å; Q452-M456 WeakPolarHBondContact O-CG 3.35Å; Q452-M456 PolarHBondContact O-N 3.46Å; Q452-M456 VanDerWaalsContact O-N 3.16Å; M453-M456 PolarHBondContact O-N 2.9Å; P454-M456 VanDerWaalsContact C-N 3.34Å; P454-M456 PolarHBondContact O-N 3.28Å; M456-S458 VanDerWaalsContact C-N 3.31Å; M456-S458 PolarHBondContact O-N 3.15Å; M456-V459 HydrophobicContact CE-CG2 4.27Å; M456-V459 PolarHBondContact O-N 3.06Å; M456-M460 WeakPolarHBondContact O-CB 3.48Å; M456-M460 PolarHBondContact O-N 2.62Å; M456-I467 HydrophobicContact CB-CB 4.38Å; M456-I467 HydrophobicContact CB-CD1 4.11Å; M456-I467 HydrophobicContact CB-CG2 4.24Å; M456-I467 HydrophobicContact SD-CB 4.24Å; M456-I467 HydrophobicContact SD-CG2 3.99Å; M456-A469 WeakPolarHBondContact CB-O 3.49Å; M456-A469 WeakPolarHBondContact CG-O 3.47Å; M456-I510 HydrophobicContact CE-CB 4.25Å; M456-I510 HydrophobicContact CE-CD1 3.86Å; M456-I510 HydrophobicContact CE-CG1 4.23Å
457S94.3Very high95.3Very high0 Ų09.6 Ų9.60%07%0.065CC..Hα-helixtrans-60.7-39.1174.771.90000112.8S36 M453 P454 I455 M460 L461S36-S457 VanDerWaalsContact CA-OG 3.25Å; S36-S457 WeakPolarHBondContact CA-OG 3.32Å; S36-S457 PolarHBondContact N-OG 3.29Å; S36-S457 WeakPolarHBondContact O-CB 3.39Å; S36-S457 PolarHBondContact O-OG 2.96Å; S36-S457 VanDerWaalsContact O-OG 3.1Å; M453-S457 PolarHBondContact O-N 3.07Å; P454-S457 PolarHBondContact O-N 2.85Å; P454-S457 PolarHBondContact O-OG 3.37Å; I455-S457 VanDerWaalsContact C-N 3.3Å; I455-S457 PolarHBondContact O-N 3.3Å; S457-M460 PolarHBondContact O-N 3.28Å; S457-L461 WeakPolarHBondContact O-CB 3.34Å; S457-L461 PolarHBondContact O-N 3.05Å
458S95.3Very high95.2Very high2 Ų29.5 Ų9.51%0.0146%0.064CC..Hα-helixtrans-73.5-36.8177.1-550000112.7Q432 I455 M456 M460 L461 S462Q432-S458 PolarHBondContact NE2-OG 2.64Å; I455-S458 PolarHBondContact O-N 3.02Å; I455-S458 VanDerWaalsContact O-N 3.12Å; M456-S458 VanDerWaalsContact C-N 3.31Å; M456-S458 PolarHBondContact O-N 3.15Å; S458-M460 VanDerWaalsContact C-N 3.33Å; S458-L461 PolarHBondContact O-N 3.33Å; S458-S462 VanDerWaalsContact O-CB 3.29Å; S458-S462 WeakPolarHBondContact O-CB 3.35Å; S458-S462 PolarHBondContact O-N 2.74Å
459V96.7Very high95Very high0 Ų09.5 Ų9.50%06%0.064CC..Iπ-helixtrans-60.8-45172.3171.60000110.3L436 I439 F449 I455 M456 A463 G464 R465 I467 I510L436-V459 HydrophobicContact CD2-CB 4.48Å; L436-V459 HydrophobicContact CD2-CG2 3.95Å; I439-V459 HydrophobicContact CD1-CG2 3.8Å; F449-V459 HydrophobicContact CB-CG1 4.1Å; F449-V459 HydrophobicContact CD2-CG1 4.17Å; F449-V459 HydrophobicContact CG-CG1 4.06Å; I455-V459 HydrophobicContact CG1-CG2 4.48Å; I455-V459 WeakPolarHBondContact O-CG2 3.34Å; I455-V459 PolarHBondContact O-N 3.16Å; M456-V459 HydrophobicContact CE-CG2 4.27Å; M456-V459 PolarHBondContact O-N 3.06Å; V459-A463 HydrophobicContact CG1-CB 4.43Å; V459-A463 CarbonylContact O-C 3.58Å; V459-A463 WeakPolarHBondContact O-CA 3.49Å; V459-A463 VanDerWaalsContact O-CB 3.29Å; V459-A463 WeakPolarHBondContact O-CB 3.36Å; V459-A463 PolarHBondContact O-N 3.46Å; V459-G464 PolarHBondContact O-N 3.27Å; V459-R465 HydrophobicContact CG1-CB 3.91Å; V459-I467 HydrophobicContact CB-CG2 4.4Å; V459-I467 HydrophobicContact CG1-CG2 4.17Å; V459-I510 HydrophobicContact CG2-CD1 3.77Å
460M94.9Very high94.7Very high20 Ų209.5 Ų9.510%0.0996%0.064CC..Iπ-helixtrans-65.2-47.6178.2-168.6179.974.100111.9F40 S43 T67 M456 S457 S458 G464 I467F40-M460 HydrophobicContact CD2-CE 3.46Å; F40-M460 VanDerWaalsContact CD2-CE 3.46Å; F40-M460 HydrophobicContact CD2-SD 4.49Å; F40-M460 HydrophobicContact CE2-CE 3.76Å; F40-M460 HydrophobicContact CE2-SD 4.36Å; F40-M460 HydrophobicContact CG-CE 4.33Å; S43-M460 WeakPolarHBondContact OG-CE 3.3Å; T67-M460 HydrophobicContact CG2-SD 4.26Å; M456-M460 WeakPolarHBondContact O-CB 3.48Å; M456-M460 PolarHBondContact O-N 2.62Å; S457-M460 PolarHBondContact O-N 3.28Å; S458-M460 VanDerWaalsContact C-N 3.33Å; M460-G464 WeakPolarHBondContact O-CA 3.33Å; M460-G464 PolarHBondContact O-N 2.63Å; M460-I467 HydrophobicContact CB-CD1 3.96Å; M460-I467 HydrophobicContact CB-CG1 4.42Å; M460-I467 HydrophobicContact CB-CG2 4.29Å; M460-I467 HydrophobicContact CG-CD1 4.3Å; M460-I467 HydrophobicContact SD-CD1 3.71Å; M460-I467 HydrophobicContact SD-CG1 4.14Å
461L95.5Very high94.4Very high3 Ų310.4 Ų10.42%0.0167%0.07CC..Iπ-helixtrans-67.9-47.6-178.1173.758.3000112.8E31 F34 Y42 K46 S457 S458E31-L461 HydrophobicContact CB-CD2 3.8Å; E31-L461 HydrophobicContact CB-CG 3.94Å; E31-L461 HydrophobicContact CG-CD1 4.33Å; E31-L461 HydrophobicContact CG-CD2 4.19Å; E31-L461 HydrophobicContact CG-CG 4.08Å; E31-L461 WeakPolarHBondContact O-CD2 3.49Å; F34-L461 HydrophobicContact CB-CD2 4.28Å; Y42-L461 HydrophobicContact CD1-CD1 3.54Å; Y42-L461 HydrophobicContact CD1-CD2 3.92Å; Y42-L461 HydrophobicContact CD1-CG 4.39Å; Y42-L461 HydrophobicContact CE1-CD1 4.03Å; K46-L461 HydrophobicContact CD-CD1 3.77Å; K46-L461 PolarHBondContact NZ-O 2.99Å; S457-L461 WeakPolarHBondContact O-CB 3.34Å; S457-L461 PolarHBondContact O-N 3.05Å; S458-L461 PolarHBondContact O-N 3.33Å
462S94.9Very high93.9Very high7 Ų711.9 Ų11.95%0.0498%0.077CC..Iπ-helixtrans-101.5-35.3-166.7-59.40000115E31 S458E31-S462 WeakPolarHBondContact CB-OG 3.25Å; E31-S462 WeakPolarHBondContact OE2-CA 3.44Å; E31-S462 WeakPolarHBondContact OE2-CB 3.35Å; E31-S462 PolarHBondContact OE2-OG 3.31Å; S458-S462 VanDerWaalsContact O-CB 3.29Å; S458-S462 WeakPolarHBondContact O-CB 3.35Å; S458-S462 PolarHBondContact O-N 2.74Å
463A95.4Very high93.3Very high6 Ų612.1 Ų12.15%0.058%0.077CC..Iπ-helixtrans-93.2-16.8174.500000112.7I439 V459 R465I439-A463 HydrophobicContact CB-CB 4.22Å; I439-A463 HydrophobicContact CG2-CB 3.63Å; V459-A463 HydrophobicContact CG1-CB 4.43Å; V459-A463 CarbonylContact O-C 3.58Å; V459-A463 WeakPolarHBondContact O-CA 3.49Å; V459-A463 VanDerWaalsContact O-CB 3.29Å; V459-A463 WeakPolarHBondContact O-CB 3.36Å; V459-A463 PolarHBondContact O-N 3.46Å; A463-R465 VanDerWaalsContact C-N 3.28Å; A463-R465 HydrophobicContact CB-CG 4.08Å; A463-R465 PolarHBondContact O-N 3.08Å; A463-R465 PolarHBondContact O-NH1 2.92Å
464G94.3Very high92.8Very high44 Ų4415.1 Ų15.145%0.4549%0.091SC..  trans62.235.4179.100000112.7V459 M460V459-G464 PolarHBondContact O-N 3.27Å; M460-G464 WeakPolarHBondContact O-CA 3.33Å; M460-G464 PolarHBondContact O-N 2.63Å
465R96.2Very high92.4Very high22 Ų2213.4 Ų13.48%0.0838%0.079CC..  trans-102.5145179.7-62.3-62.9-177.6-99.77.9110.9I439 K440 T443 S444 F449 V459 A463I439-R465 HydrophobicContact CG2-CG 3.76Å; K440-R465 PolarHBondContact O-NH2 2.9Å; T443-R465 PolarHBondContact O-NH2 3.43Å; T443-R465 PolarHBondContact OG1-NE 2.9Å; S444-R465 VanDerWaalsContact O-CD 3.28Å; S444-R465 WeakPolarHBondContact O-CD 3.24Å; S444-R465 PolarHBondContact O-NE 2.83Å; F449-R465 HydrophobicContact CD2-CB 3.74Å; F449-R465 HydrophobicContact CD2-CG 4.11Å; F449-R465 HydrophobicContact CE2-CB 4Å; F449-R465 HydrophobicContact CE2-CG 3.83Å; V459-R465 HydrophobicContact CG1-CB 3.91Å; A463-R465 VanDerWaalsContact C-N 3.28Å; A463-R465 HydrophobicContact CB-CG 4.08Å; A463-R465 PolarHBondContact O-N 3.08Å; A463-R465 PolarHBondContact O-NH1 2.92Å
466P96.5Very high91.8Very high10 Ų1015.3 Ų15.37%0.06510%0.095CC..  trans-56.7143.9170.9-24.233.2000112.2R66 F69 P445 A447 V448 F449R66-P466 HydrophobicContact CB-CB 4.4Å; R66-P466 HydrophobicContact CG-CG 4.34Å; R66-P466 CarbonylContact O-C 3.47Å; R66-P466 WeakPolarHBondContact O-CA 3.5Å; F69-P466 HydrophobicContact CD2-CB 4.14Å; P445-P466 WeakPolarHBondContact O-CD 3.39Å; A447-P466 WeakPolarHBondContact O-CD 3.38Å; V448-P466 WeakPolarHBondContact CA-O 3.39Å; V448-P466 HydrophobicContact CG2-CB 4.23Å; F449-P466 PolarHBondContact N-O 3.19Å
467I96.7Very high91.3Very high0 Ų017.8 Ų17.80%012%0.115CC..BIsolated β-bridgetrans-126150.1-179.557.9168.9000111.6R66 T67 F69 F449 M456 V459 M460 H470R66-I467 PolarHBondContact O-N 2.92Å; T67-I467 WeakPolarHBondContact O-CG1 3.47Å; F69-I467 WeakPolarHBondContact CB-O 3.49Å; F69-I467 PolarHBondContact N-O 3.45Å; F449-I467 CarbonylContact O-C 3.39Å; F449-I467 WeakPolarHBondContact O-CA 3.42Å; M456-I467 HydrophobicContact CB-CB 4.38Å; M456-I467 HydrophobicContact CB-CD1 4.11Å; M456-I467 HydrophobicContact CB-CG2 4.24Å; M456-I467 HydrophobicContact SD-CB 4.24Å; M456-I467 HydrophobicContact SD-CG2 3.99Å; V459-I467 HydrophobicContact CB-CG2 4.4Å; V459-I467 HydrophobicContact CG1-CG2 4.17Å; M460-I467 HydrophobicContact CB-CD1 3.96Å; M460-I467 HydrophobicContact CB-CG1 4.42Å; M460-I467 HydrophobicContact CB-CG2 4.29Å; M460-I467 HydrophobicContact CG-CD1 4.3Å; M460-I467 HydrophobicContact SD-CD1 3.71Å; M460-I467 HydrophobicContact SD-CG1 4.14Å; I467-H470 HydrophobicContact CD1-CB 3.89Å
468V95.1Very high91Very high0 Ų017.8 Ų17.80%012%0.115CC..SBendtrans-83.6-33.6178.3173.90000112.2V448 F449 A450 R481 L485 T504 A506V448-V468 HydrophobicContact CG1-CG2 3.69Å; F449-V468 PolarHBondContact O-N 3.12Å; A450-V468 HydrophobicContact CB-CB 4.13Å; A450-V468 HydrophobicContact CB-CG2 4.04Å; V468-R481 PolarHBondContact O-NE 2.88Å; V468-R481 VanDerWaalsContact O-NE 3.1Å; V468-R481 PolarHBondContact O-NH1 2.94Å; V468-R481 PolarHBondContact O-NH2 3.28Å; V468-R481 VanDerWaalsContact O-NH2 3.15Å; V468-L485 HydrophobicContact CB-CD1 4.13Å; V468-L485 HydrophobicContact CG1-CD1 3.8Å; V468-L485 HydrophobicContact CG1-CD2 4.18Å; V468-L485 HydrophobicContact CG1-CG 4.23Å; V468-T504 HydrophobicContact CG1-CG2 4.15Å; V468-A506 HydrophobicContact CG2-CB 3.96Å
469A93.2Very high90.7Very high1 Ų118.7 Ų18.71%0.00812%0.119CC..  trans-145.4152.7-177.200000111M456 L478 V482 L485M456-A469 WeakPolarHBondContact CB-O 3.49Å; M456-A469 WeakPolarHBondContact CG-O 3.47Å; A469-L478 HydrophobicContact CB-CD1 4.3Å; A469-V482 HydrophobicContact CB-CG2 3.82Å; A469-L485 HydrophobicContact CB-CD1 3.85Å
470H92.6Very high90.4Very high0 Ų023.7 Ų23.70%014%0.142CC..  trans-138.4169-177.257.982.9000111.3F40 T67 E68 F79 I467 H472 L478F40-H470 HydrophobicContact CD2-CB 3.77Å; F40-H470 HydrophobicContact CE2-CB 3.41Å; F40-H470 VanDerWaalsContact CE2-CB 3.41Å; F40-H470 AromaticContact CE2-CG 3.48Å; F40-H470 VanDerWaalsContact CE2-CG 3.48Å; F40-H470 AromaticContact CE2-ND1 3.7Å; F40-H470 HydrophobicContact CZ-CB 4.21Å; F40-H470 AromaticContact CZ-CG 3.79Å; F40-H470 AromaticContact CZ-ND1 3.56Å; T67-H470 PolarHBondContact O-CD2 3.26Å; E68-H470 WeakPolarHBondContact CG-NE2 3.36Å; E68-H470 IonicContact OE1-NE2 2.85Å; E68-H470 PolarHBondContact OE1-NE2 2.87Å; F79-H470 AromaticContact CE1-CE1 3.46Å; F79-H470 VanDerWaalsContact CE1-CE1 3.46Å; F79-H470 WeakPolarHBondContact CE1-CE1 3.27Å; F79-H470 AromaticContact CZ-CE1 3.46Å; F79-H470 VanDerWaalsContact CZ-CE1 3.46Å; F79-H470 WeakPolarHBondContact CZ-CE1 3.41Å; F79-H470 AromaticContact CZ-NE2 3.68Å; I467-H470 HydrophobicContact CD1-CB 3.89Å; H470-H472 WeakPolarHBondContact ND1-CB 3.35Å; H470-H472 PolarHBondContact ND1-N 3.3Å; H470-H472 PolarHBondContact O-N 3.08Å; H470-H472 VanDerWaalsContact O-N 3.14Å; H470-L478 WeakPolarHBondContact CE1-CD2 3.06Å
471P89.4Confident90.2Very high19 Ų1923.8 Ų23.812%0.12314%0.141CC..SBendtrans-66.6-7.5-174.8-24.134.8000118S36 E37 M453 Y473S36-P471 WeakPolarHBondContact OG-CB 3.29Å; E37-P471 HydrophobicContact CB-CB 4.48Å; M453-P471 HydrophobicContact CB-CB 4.39Å; M453-P471 HydrophobicContact CB-CG 4.18Å; M453-P471 WeakPolarHBondContact O-CG 3.18Å; P471-Y473 VanDerWaalsContact C-N 3.35Å; P471-Y473 PolarHBondContact O-N 3.39Å; P471-Y473 VanDerWaalsContact O-N 3.08Å
472H84.9Confident90.1Very high30 Ų3023.6 Ų23.614%0.13914%0.14CC..  trans-88.473.6-174.4-171.9-72.2000110.7F40 F79 H470 E474 L478F40-H472 HydrophobicContact CE1-CB 4.33Å; F79-H472 HydrophobicContact CD1-CB 4.17Å; F79-H472 AromaticContact CD1-CD2 3.79Å; F79-H472 AromaticContact CD1-CG 3.68Å; F79-H472 AromaticContact CD1-ND1 3.85Å; F79-H472 HydrophobicContact CE1-CB 3.94Å; F79-H472 AromaticContact CE1-CG 3.78Å; F79-H472 AromaticContact CE1-ND1 3.81Å; H470-H472 WeakPolarHBondContact ND1-CB 3.35Å; H470-H472 PolarHBondContact ND1-N 3.3Å; H470-H472 PolarHBondContact O-N 3.08Å; H470-H472 VanDerWaalsContact O-N 3.14Å; H472-E474 VanDerWaalsContact C-N 3.26Å; H472-E474 WeakPolarHBondContact CA-OE2 3.13Å; H472-E474 IonicContact CD2-OE2 3.69Å; H472-E474 IonicContact CE1-OE2 2.64Å; H472-E474 PolarHBondContact CE1-OE2 2.98Å; H472-E474 VanDerWaalsContact CE1-OE2 3.23Å; H472-E474 IonicContact CG-OE2 3.6Å; H472-E474 IonicContact ND1-OE2 3.35Å; H472-E474 PolarHBondContact ND1-OE2 2.93Å; H472-E474 IonicContact NE2-OE2 3.38Å; H472-E474 PolarHBondContact O-N 2.86Å; H472-L478 WeakPolarHBondContact O-CD2 3.28Å
473Y81.9Confident89.9Confident9 Ų925.4 Ų25.44%0.03515%0.147CC..THydrogen-bonded Turntrans-78.57.9-164.9-159-127.3000116.2H281 L284 Y285 M453 P471 D475 R479 V482H281-Y473 PolarHBondContact CE1-OH 2.99Å; H281-Y473 VanDerWaalsContact CE1-OH 3.26Å; H281-Y473 AromaticContact ND1-CE1 3.96Å; H281-Y473 AromaticContact ND1-CZ 3.65Å; H281-Y473 PolarHBondContact ND1-OH 3.02Å; L284-Y473 HydrophobicContact CD1-CE1 3.92Å; L284-Y473 WeakPolarHBondContact CD1-OH 3.37Å; Y285-Y473 AromaticContact CE2-CD1 3.42Å; Y285-Y473 HydrophobicContact CE2-CD1 3.42Å; Y285-Y473 VanDerWaalsContact CE2-CD1 3.42Å; Y285-Y473 AromaticContact CE2-CE1 3.83Å; Y285-Y473 HydrophobicContact CE2-CE1 3.83Å; Y285-Y473 AromaticContact CZ-CD1 3.57Å; Y285-Y473 VanDerWaalsContact OH-CD1 3.3Å; Y285-Y473 WeakPolarHBondContact OH-CD1 3.29Å; Y285-Y473 PolarHBondContact OH-O 3.46Å; M453-Y473 HydrophobicContact CE-CD2 4.03Å; M453-Y473 HydrophobicContact CE-CE2 4.13Å; M453-Y473 HydrophobicContact CE-CG 4.36Å; M453-Y473 HydrophobicContact SD-CD2 3.97Å; M453-Y473 HydrophobicContact SD-CG 4.3Å; P471-Y473 VanDerWaalsContact C-N 3.35Å; P471-Y473 PolarHBondContact O-N 3.39Å; P471-Y473 VanDerWaalsContact O-N 3.08Å; Y473-D475 VanDerWaalsContact C-N 3.32Å; Y473-D475 PolarHBondContact O-N 3.32Å; Y473-R479 HydrophobicContact CD1-CG 4.14Å; Y473-R479 HydrophobicContact CD2-CG 3.95Å; Y473-R479 HydrophobicContact CE1-CG 3.84Å; Y473-R479 VanDerWaalsContact CE2-CA 3.5Å; Y473-R479 HydrophobicContact CE2-CB 4Å; Y473-R479 HydrophobicContact CE2-CG 3.63Å; Y473-R479 HydrophobicContact CG-CG 4.18Å; Y473-R479 WeakPolarHBondContact O-CG 3.07Å; Y473-R479 PolarHBondContact O-NH1 2.88Å; Y473-V482 HydrophobicContact CD2-CB 4.37Å; Y473-V482 HydrophobicContact CD2-CG2 3.95Å; Y473-V482 HydrophobicContact CE2-CB 3.52Å; Y473-V482 HydrophobicContact CE2-CG1 3.64Å; Y473-V482 HydrophobicContact CE2-CG2 3.59Å
474E79.4Confident89.9Confident84 Ų8427.4 Ų27.439%0.39316%0.157SC..THydrogen-bonded Turntrans-69.4-27.1-176.1-68.872.4-16200113.2H472 R479H472-E474 VanDerWaalsContact C-N 3.26Å; H472-E474 WeakPolarHBondContact CA-OE2 3.13Å; H472-E474 IonicContact CD2-OE2 3.69Å; H472-E474 IonicContact CE1-OE2 2.64Å; H472-E474 PolarHBondContact CE1-OE2 2.98Å; H472-E474 VanDerWaalsContact CE1-OE2 3.23Å; H472-E474 IonicContact CG-OE2 3.6Å; H472-E474 IonicContact ND1-OE2 3.35Å; H472-E474 PolarHBondContact ND1-OE2 2.93Å; H472-E474 IonicContact NE2-OE2 3.38Å; H472-E474 PolarHBondContact O-N 2.86Å; E474-R479 PolarHBondContact O-NH1 3.32Å
475D83.9Confident89.9Confident21 Ų2125.3 Ų25.311%0.11214%0.135CC..SBendtrans-83.9137.6-177.6177.1-109.8000114.1R78 Y473 A477 L478 R479R78-D475 VanDerWaalsContact CZ-CB 3.41Å; R78-D475 IonicContact CZ-OD1 3.24Å; R78-D475 IonicContact CZ-OD2 3Å; R78-D475 VanDerWaalsContact CZ-OD2 3.31Å; R78-D475 IonicContact NH1-OD1 2.85Å; R78-D475 IonicContact NH1-OD2 3.49Å; R78-D475 PolarHBondContact NH1-OD2 3.39Å; R78-D475 IonicContact NH2-OD1 2.65Å; R78-D475 PolarHBondContact NH2-OD1 3.08Å; R78-D475 IonicContact NH2-OD2 3.84Å; R78-D475 PolarHBondContact NH2-OD2 2.92Å; Y473-D475 VanDerWaalsContact C-N 3.32Å; Y473-D475 PolarHBondContact O-N 3.32Å; D475-A477 WeakPolarHBondContact OD1-CA 3.17Å; D475-A477 VanDerWaalsContact OD1-CB 3.28Å; D475-A477 WeakPolarHBondContact OD1-CB 3.36Å; D475-A477 PolarHBondContact OD1-N 3.23Å; D475-L478 HydrophobicContact CB-CB 4.15Å; D475-L478 PolarHBondContact O-N 3.26Å; D475-L478 PolarHBondContact OD1-N 3.08Å; D475-R479 WeakPolarHBondContact O-CG 3.37Å; D475-R479 PolarHBondContact O-N 3.44Å
476A82.2Confident89.8Confident43 Ų4324.6 Ų24.636%0.35513%0.132SC..Hα-helixtrans-64.4-43-17900000113.9L478 R479 E480A476-L478 VanDerWaalsContact C-N 3.35Å; A476-L478 PolarHBondContact O-N 3.49Å; A476-R479 WeakPolarHBondContact O-CB 3.48Å; A476-R479 PolarHBondContact O-N 3.48Å; A476-E480 PolarHBondContact O-N 3.15Å
477A85Confident89.7Confident52 Ų5225.6 Ų25.643%0.4314%0.136SC..Hα-helixtrans-65-40.8179.100000111.1D475 R479 E480 R481D475-A477 WeakPolarHBondContact OD1-CA 3.17Å; D475-A477 VanDerWaalsContact OD1-CB 3.28Å; D475-A477 WeakPolarHBondContact OD1-CB 3.36Å; D475-A477 PolarHBondContact OD1-N 3.23Å; A477-R479 VanDerWaalsContact C-N 3.34Å; A477-R479 PolarHBondContact O-N 3.45Å; A477-E480 PolarHBondContact O-N 3.31Å; A477-R481 WeakPolarHBondContact O-CG 3.3Å; A477-R481 PolarHBondContact O-N 3.29Å
478L88Confident89.6Confident0 Ų025.6 Ų25.60%014%0.136CC..Hα-helixtrans-64.1-38.4173.3-171.572.7000112.2E68 A469 H470 H472 D475 A476 E480 R481 V482E68-L478 HydrophobicContact CG-CD1 4.48Å; A469-L478 HydrophobicContact CB-CD1 4.3Å; H470-L478 WeakPolarHBondContact CE1-CD2 3.06Å; H472-L478 WeakPolarHBondContact O-CD2 3.28Å; D475-L478 HydrophobicContact CB-CB 4.15Å; D475-L478 PolarHBondContact O-N 3.26Å; D475-L478 PolarHBondContact OD1-N 3.08Å; A476-L478 VanDerWaalsContact C-N 3.35Å; A476-L478 PolarHBondContact O-N 3.49Å; L478-E480 VanDerWaalsContact C-N 3.28Å; L478-E480 PolarHBondContact O-N 2.87Å; L478-R481 PolarHBondContact O-N 2.96Å; L478-R481 VanDerWaalsContact O-N 3.14Å; L478-V482 WeakPolarHBondContact O-CG2 3.38Å; L478-V482 PolarHBondContact O-N 2.96Å
479R88.6Confident89.6Confident22 Ų2225.6 Ų25.68%0.08314%0.136CC..Hα-helixtrans-56.1-43.3175.7-75.9-161.7-70.5-89.5-0112.6Y473 E474 D475 A476 A477 V482 K483Y473-R479 HydrophobicContact CD1-CG 4.14Å; Y473-R479 HydrophobicContact CD2-CG 3.95Å; Y473-R479 HydrophobicContact CE1-CG 3.84Å; Y473-R479 VanDerWaalsContact CE2-CA 3.5Å; Y473-R479 HydrophobicContact CE2-CB 4Å; Y473-R479 HydrophobicContact CE2-CG 3.63Å; Y473-R479 HydrophobicContact CG-CG 4.18Å; Y473-R479 WeakPolarHBondContact O-CG 3.07Å; Y473-R479 PolarHBondContact O-NH1 2.88Å; E474-R479 PolarHBondContact O-NH1 3.32Å; D475-R479 WeakPolarHBondContact O-CG 3.37Å; D475-R479 PolarHBondContact O-N 3.44Å; A476-R479 WeakPolarHBondContact O-CB 3.48Å; A476-R479 PolarHBondContact O-N 3.48Å; A477-R479 VanDerWaalsContact C-N 3.34Å; A477-R479 PolarHBondContact O-N 3.45Å; R479-V482 PolarHBondContact O-N 2.5Å; R479-K483 WeakPolarHBondContact O-CB 3.17Å; R479-K483 PolarHBondContact O-N 3.17Å
480E89.2Confident89.6Confident105 Ų10525.6 Ų25.649%0.49114%0.136SC..Hα-helixtrans-64.7-42.5175.9-67.5-54.2144.200112.2A476 A477 L478 V482 K483 I484A476-E480 PolarHBondContact O-N 3.15Å; A477-E480 PolarHBondContact O-N 3.31Å; L478-E480 VanDerWaalsContact C-N 3.28Å; L478-E480 PolarHBondContact O-N 2.87Å; E480-V482 PolarHBondContact O-N 2.04Å; E480-K483 WeakPolarHBondContact O-CB 3.39Å; E480-K483 PolarHBondContact O-N 3.17Å; E480-K483 VanDerWaalsContact O-N 3.13Å; E480-I484 WeakPolarHBondContact O-CG1 3.45Å; E480-I484 PolarHBondContact O-N 3.07Å
481R91.6Very high89.7Confident21 Ų2126.9 Ų26.98%0.07914%0.141CC..Hα-helixtrans-61.1-45.5177-66.6-179.873.9173.611.9112.2E68 F69 V468 A477 L478 K483 I484 L485E68-R481 VanDerWaalsContact C-NH1 3.28Å; E68-R481 PolarHBondContact O-NH1 3.27Å; F69-R481 PolarHBondContact O-NH1 3.3Å; F69-R481 PolarHBondContact O-NH2 3.45Å; V468-R481 PolarHBondContact O-NE 2.88Å; V468-R481 VanDerWaalsContact O-NE 3.1Å; V468-R481 PolarHBondContact O-NH1 2.94Å; V468-R481 PolarHBondContact O-NH2 3.28Å; V468-R481 VanDerWaalsContact O-NH2 3.15Å; A477-R481 WeakPolarHBondContact O-CG 3.3Å; A477-R481 PolarHBondContact O-N 3.29Å; L478-R481 PolarHBondContact O-N 2.96Å; L478-R481 VanDerWaalsContact O-N 3.14Å; R481-K483 VanDerWaalsContact C-N 3.3Å; R481-K483 PolarHBondContact O-N 3.15Å; R481-I484 WeakPolarHBondContact O-CB 3.4Å; R481-I484 PolarHBondContact O-N 2.85Å; R481-L485 WeakPolarHBondContact O-CG 3.25Å; R481-L485 PolarHBondContact O-N 2.94Å
482V92.5Very high90Very high0 Ų027.3 Ų27.30%014%0.141CC..Hα-helixtrans-61.6-41.4174.3168.10000110.8M453 A469 Y473 L478 R479 E480 I484 L485 Y486M453-V482 HydrophobicContact CE-CG1 3.58Å; M453-V482 HydrophobicContact CE-CG2 4.16Å; M453-V482 HydrophobicContact CG-CG2 4.29Å; M453-V482 HydrophobicContact SD-CG2 4.18Å; A469-V482 HydrophobicContact CB-CG2 3.82Å; Y473-V482 HydrophobicContact CD2-CB 4.37Å; Y473-V482 HydrophobicContact CD2-CG2 3.95Å; Y473-V482 HydrophobicContact CE2-CB 3.52Å; Y473-V482 HydrophobicContact CE2-CG1 3.64Å; Y473-V482 HydrophobicContact CE2-CG2 3.59Å; L478-V482 WeakPolarHBondContact O-CG2 3.38Å; L478-V482 PolarHBondContact O-N 2.96Å; R479-V482 PolarHBondContact O-N 2.5Å; E480-V482 PolarHBondContact O-N 2.04Å; V482-I484 VanDerWaalsContact C-N 3.28Å; V482-I484 PolarHBondContact O-N 2.79Å; V482-L485 PolarHBondContact O-N 2.95Å; V482-L485 VanDerWaalsContact O-N 3.17Å; V482-Y486 HydrophobicContact CG1-CD1 3.73Å; V482-Y486 HydrophobicContact CG1-CE1 3.8Å; V482-Y486 HydrophobicContact CG1-CG 4.11Å; V482-Y486 WeakPolarHBondContact O-CB 3.36Å; V482-Y486 WeakPolarHBondContact O-CD1 3.42Å; V482-Y486 PolarHBondContact O-N 3.35Å
483K92.1Very high90.6Very high45 Ų4529 Ų2920%0.19616%0.155CC..Hα-helixtrans-58.9-41.3176.4-168.7174.3-173.7172.40110.8F280 R479 E480 R481 Q487 W534 E537F280-K483 HydrophobicContact CD1-CG 4.24Å; F280-K483 HydrophobicContact CE1-CB 4.38Å; F280-K483 HydrophobicContact CE1-CG 4.3Å; R479-K483 WeakPolarHBondContact O-CB 3.17Å; R479-K483 PolarHBondContact O-N 3.17Å; E480-K483 WeakPolarHBondContact O-CB 3.39Å; E480-K483 PolarHBondContact O-N 3.17Å; E480-K483 VanDerWaalsContact O-N 3.13Å; R481-K483 VanDerWaalsContact C-N 3.3Å; R481-K483 PolarHBondContact O-N 3.15Å; K483-Q487 WeakPolarHBondContact O-CG 3.28Å; K483-Q487 PolarHBondContact O-N 2.84Å; K483-W534 HydrophobicContact CG-CH2 3.78Å; K483-W534 HydrophobicContact CG-CZ2 4.18Å; K483-W534 WeakPolarHBondContact O-CH2 3.44Å; K483-W534 WeakPolarHBondContact O-CZ2 2.99Å; K483-E537 IonicContact NZ-OE2 3.07Å; K483-E537 PolarHBondContact NZ-OE2 3.37Å
484I94.3Very high91.3Very high47 Ų4729.3 Ų29.324%0.24116%0.157CC..Hα-helixtrans-59.6-51.2172.8-67.8168.1000111.1E480 R481 V482 Y486 Q487 A500 T504E480-I484 WeakPolarHBondContact O-CG1 3.45Å; E480-I484 PolarHBondContact O-N 3.07Å; R481-I484 WeakPolarHBondContact O-CB 3.4Å; R481-I484 PolarHBondContact O-N 2.85Å; V482-I484 VanDerWaalsContact C-N 3.28Å; V482-I484 PolarHBondContact O-N 2.79Å; I484-Y486 PolarHBondContact O-N 3.04Å; I484-Q487 WeakPolarHBondContact O-CB 3.08Å; I484-Q487 WeakPolarHBondContact O-CG 3.28Å; I484-Q487 PolarHBondContact O-N 2.76Å; I484-A500 HydrophobicContact CG2-CB 4.03Å; I484-A500 WeakPolarHBondContact CG2-O 3.29Å; I484-T504 HydrophobicContact CG2-CG2 3.74Å
485L94.6Very high92.1Very high0 Ų027.8 Ų27.80%016%0.159CC..Hα-helixtrans-65.2-39.7-177.1-64.6-173.8000112.9A450 V468 A469 R481 V482 Q487 M488 V501 T504A450-L485 HydrophobicContact CB-CD1 3.85Å; A450-L485 HydrophobicContact CB-CD2 3.59Å; A450-L485 HydrophobicContact CB-CG 4.34Å; V468-L485 HydrophobicContact CB-CD1 4.13Å; V468-L485 HydrophobicContact CG1-CD1 3.8Å; V468-L485 HydrophobicContact CG1-CD2 4.18Å; V468-L485 HydrophobicContact CG1-CG 4.23Å; A469-L485 HydrophobicContact CB-CD1 3.85Å; R481-L485 WeakPolarHBondContact O-CG 3.25Å; R481-L485 PolarHBondContact O-N 2.94Å; V482-L485 PolarHBondContact O-N 2.95Å; V482-L485 VanDerWaalsContact O-N 3.17Å; L485-Q487 PolarHBondContact O-N 3.19Å; L485-M488 VanDerWaalsContact O-CG 3.3Å; L485-M488 WeakPolarHBondContact O-CG 3.3Å; L485-M488 PolarHBondContact O-N 3.3Å; L485-V501 HydrophobicContact CD2-CG1 4.37Å; L485-V501 HydrophobicContact CD2-CG2 4.3Å; L485-T504 HydrophobicContact CD2-CG2 4.19Å
486Y94.7Very high92.7Very high8 Ų831.1 Ų31.13%0.03117%0.174CC..Hα-helixtrans-75-5.1-175.7-82.244.9000112.3F280 L284 Q452 M453 V482 I484 M488 F489 F530 W534F280-Y486 AromaticContact CZ-CD2 3.92Å; F280-Y486 HydrophobicContact CZ-CD2 3.92Å; F280-Y486 HydrophobicContact CZ-CG 4.12Å; L284-Y486 HydrophobicContact CD2-CD2 4.18Å; L284-Y486 HydrophobicContact CD2-CE2 3.7Å; Q452-Y486 HydrophobicContact CG-CE1 4.41Å; M453-Y486 PolarHBondContact N-OH 2.96Å; V482-Y486 HydrophobicContact CG1-CD1 3.73Å; V482-Y486 HydrophobicContact CG1-CE1 3.8Å; V482-Y486 HydrophobicContact CG1-CG 4.11Å; V482-Y486 WeakPolarHBondContact O-CB 3.36Å; V482-Y486 WeakPolarHBondContact O-CD1 3.42Å; V482-Y486 PolarHBondContact O-N 3.35Å; I484-Y486 PolarHBondContact O-N 3.04Å; Y486-M488 PolarHBondContact O-N 3.25Å; Y486-M488 VanDerWaalsContact O-N 3.07Å; Y486-F489 HydrophobicContact CD2-CD2 4.02Å; Y486-F489 HydrophobicContact CD2-CE2 4.16Å; Y486-F489 HydrophobicContact CE2-CE2 4.36Å; Y486-F489 HydrophobicContact CG-CD2 4.18Å; Y486-F489 HydrophobicContact CG-CE2 4.34Å; Y486-F489 PolarHBondContact O-N 2.93Å; Y486-F530 HydrophobicContact CD2-CD1 4.11Å; Y486-F530 AromaticContact CD2-CE1 3.87Å; Y486-F530 HydrophobicContact CD2-CE1 3.87Å; Y486-F530 HydrophobicContact CD2-CZ 4.42Å; Y486-F530 HydrophobicContact CE2-CD1 4.3Å; Y486-F530 AromaticContact CE2-CE1 3.62Å; Y486-F530 HydrophobicContact CE2-CE1 3.62Å; Y486-F530 AromaticContact CE2-CZ 3.83Å; Y486-F530 HydrophobicContact CE2-CZ 3.83Å; Y486-W534 PolarHBondContact O-NE1 3.32Å
487Q94.4Very high93.4Very high31 Ų3129.1 Ų29.115%0.14516%0.157CC..G310 helixtrans-55.5-21.7167.2-67.8-179.721.200112.3K483 I484 L485 F489 S490 V497 W534K483-Q487 WeakPolarHBondContact O-CG 3.28Å; K483-Q487 PolarHBondContact O-N 2.84Å; I484-Q487 WeakPolarHBondContact O-CB 3.08Å; I484-Q487 WeakPolarHBondContact O-CG 3.28Å; I484-Q487 PolarHBondContact O-N 2.76Å; L485-Q487 PolarHBondContact O-N 3.19Å; Q487-F489 PolarHBondContact O-N 2.8Å; Q487-F489 VanDerWaalsContact O-N 3.15Å; Q487-S490 VanDerWaalsContact O-CB 3.28Å; Q487-S490 WeakPolarHBondContact O-CB 3.41Å; Q487-S490 PolarHBondContact O-N 2.61Å; Q487-S490 PolarHBondContact O-OG 2.91Å; Q487-V497 HydrophobicContact CB-CG1 4.44Å; Q487-V497 HydrophobicContact CB-CG2 4.16Å; Q487-W534 HydrophobicContact CB-CH2 4.5Å; Q487-W534 HydrophobicContact CB-CZ2 4.3Å; Q487-W534 HydrophobicContact CG-CH2 3.46Å; Q487-W534 VanDerWaalsContact CG-CH2 3.46Å; Q487-W534 HydrophobicContact CG-CZ2 3.66Å; Q487-W534 HydrophobicContact CG-CZ3 4.22Å
488M94.5Very high94Very high0 Ų028.5 Ų28.50%015%0.145CC..G310 helixtrans-58.7-22.6171.270.4-168.6178.600114Q452 L485 Y486 V497 L509 I511 C547 C548Q452-M488 HydrophobicContact CG-CE 3.88Å; L485-M488 VanDerWaalsContact O-CG 3.3Å; L485-M488 WeakPolarHBondContact O-CG 3.3Å; L485-M488 PolarHBondContact O-N 3.3Å; Y486-M488 PolarHBondContact O-N 3.25Å; Y486-M488 VanDerWaalsContact O-N 3.07Å; M488-V497 HydrophobicContact CB-CG1 4.25Å; M488-L509 HydrophobicContact SD-CD1 3.78Å; M488-L509 HydrophobicContact SD-CD2 4.11Å; M488-L509 HydrophobicContact SD-CG 4.16Å; M488-I511 HydrophobicContact CB-CD1 4.3Å; M488-I511 HydrophobicContact CG-CD1 4.49Å; M488-I511 HydrophobicContact SD-CD1 3.98Å; M488-I511 HydrophobicContact SD-CG1 3.75Å; M488-C547 WeakPolarHBondContact O-CB 3.35Å; M488-C548 VanDerWaalsContact O-CB 3.23Å; M488-C548 WeakPolarHBondContact O-CB 3.41Å; M488-C548 PolarHBondContact O-N 2.94Å
489F94.2Very high94.4Very high0 Ų035.9 Ų35.90%018%0.178CC..G310 helixtrans-94.2-5.1173.8-58.4-59.3000113.9Q452 Y486 Q487 I511 F530 S531Q452-F489 VanDerWaalsContact CD-CZ 3.47Å; Q452-F489 HydrophobicContact CG-CE2 3.79Å; Q452-F489 HydrophobicContact CG-CZ 3.74Å; Y486-F489 HydrophobicContact CD2-CD2 4.02Å; Y486-F489 HydrophobicContact CD2-CE2 4.16Å; Y486-F489 HydrophobicContact CE2-CE2 4.36Å; Y486-F489 HydrophobicContact CG-CD2 4.18Å; Y486-F489 HydrophobicContact CG-CE2 4.34Å; Y486-F489 PolarHBondContact O-N 2.93Å; Q487-F489 PolarHBondContact O-N 2.8Å; Q487-F489 VanDerWaalsContact O-N 3.15Å; F489-I511 HydrophobicContact CE1-CG2 4.34Å; F489-F530 HydrophobicContact CB-CB 3.43Å; F489-F530 VanDerWaalsContact CB-CB 3.43Å; F489-F530 HydrophobicContact CB-CG 4.27Å; F489-F530 HydrophobicContact CD1-CB 4.39Å; F489-F530 HydrophobicContact CD1-CD2 4.38Å; F489-F530 HydrophobicContact CD2-CB 4.03Å; F489-F530 HydrophobicContact CD2-CD1 4.46Å; F489-F530 AromaticContact CD2-CD2 3.97Å; F489-F530 HydrophobicContact CD2-CD2 3.97Å; F489-F530 AromaticContact CD2-CG 3.92Å; F489-F530 HydrophobicContact CD2-CG 3.92Å; F489-F530 HydrophobicContact CE2-CD2 4.11Å; F489-F530 HydrophobicContact CE2-CE2 4.3Å; F489-F530 HydrophobicContact CE2-CG 4.47Å; F489-F530 HydrophobicContact CG-CB 3.71Å; F489-F530 HydrophobicContact CG-CD2 4.12Å; F489-F530 HydrophobicContact CG-CG 4.06Å; F489-F530 HydrophobicContact CZ-CD2 4.4Å; F489-S531 VanDerWaalsContact O-CA 3.28Å; F489-S531 WeakPolarHBondContact O-CA 3.46Å
490S94.3Very high94.8Very high0 Ų035.7 Ų35.70%018%0.181CC..SBendtrans-76.3-177.4174.377.60000111.5Q487 K492 C547Q487-S490 VanDerWaalsContact O-CB 3.28Å; Q487-S490 WeakPolarHBondContact O-CB 3.41Å; Q487-S490 PolarHBondContact O-N 2.61Å; Q487-S490 PolarHBondContact O-OG 2.91Å; S490-K492 WeakPolarHBondContact OG-CB 3.45Å; S490-K492 WeakPolarHBondContact OG-CG 3.46Å; S490-K492 PolarHBondContact OG-N 3.03Å; S490-C547 WeakPolarHBondContact O-CB 3.23Å; S490-C547 PolarHBondContact O-N 3.15Å
491R95Very high95.2Very high28 Ų2830.7 Ų30.711%0.10616%0.157CC..SBendtrans-97.913.8173.5-58.6-179.6-174.2-72.9-10.8113.5D518 D535 N541 N544R491-D518 IonicContact CZ-OD1 3.1Å; R491-D518 IonicContact NH1-OD1 2.8Å; R491-D518 PolarHBondContact NH1-OD1 3.47Å; R491-D518 IonicContact NH1-OD2 3.66Å; R491-D518 IonicContact NH2-OD1 2.64Å; R491-D518 PolarHBondContact NH2-OD1 3.24Å; R491-D535 WeakPolarHBondContact CD-OD1 3.48Å; R491-D535 IonicContact CZ-OD1 3.67Å; R491-D535 IonicContact CZ-OD2 2.84Å; R491-D535 IonicContact NE-OD1 2.78Å; R491-D535 PolarHBondContact NE-OD1 3.05Å; R491-D535 IonicContact NE-OD2 3.68Å; R491-D535 PolarHBondContact NE-OD2 3.04Å; R491-D535 IonicContact NH2-OD2 2.76Å; R491-D535 PolarHBondContact NH2-OD2 3.07Å; R491-D535 VanDerWaalsContact NH2-OD2 3.15Å; R491-N541 HydrophobicContact CB-CB 4.09Å; R491-N541 WeakPolarHBondContact CB-O 3.48Å; R491-N544 HydrophobicContact CB-CB 4.01Å; R491-N544 VanDerWaalsContact CD-O 3.3Å; R491-N544 WeakPolarHBondContact CD-O 3.49Å; R491-N544 PolarHBondContact NH1-O 2.89Å; R491-N544 WeakPolarHBondContact O-CB 3.46Å
492K95.6Very high95.4Very high27 Ų2731.8 Ų31.812%0.11717%0.171CC..SBendtrans-65.6151.1178-68.4-175-177.4-55.10112S490 V497 D538 C547S490-K492 WeakPolarHBondContact OG-CB 3.45Å; S490-K492 WeakPolarHBondContact OG-CG 3.46Å; S490-K492 PolarHBondContact OG-N 3.03Å; K492-V497 HydrophobicContact CB-CG2 3.91Å; K492-D538 VanDerWaalsContact CE-OD2 3.24Å; K492-D538 WeakPolarHBondContact CE-OD2 3.39Å; K492-D538 WeakPolarHBondContact CG-OD2 3.34Å; K492-D538 IonicContact NZ-OD1 3.97Å; K492-D538 PolarHBondContact NZ-OD1 2.8Å; K492-D538 IonicContact NZ-OD2 2.73Å; K492-D538 PolarHBondContact NZ-OD2 3.38Å; K492-C547 WeakPolarHBondContact O-CB 3.31Å
493P96Very high95.6Very high67 Ų6736.2 Ų36.244%0.43520%0.202SC..  trans-58.9141.4172.4-23.433.6000112.6A495 Q496 V497P493-A495 PolarHBondContact O-N 3.49Å; P493-A495 VanDerWaalsContact O-N 3.16Å; P493-Q496 WeakPolarHBondContact O-CB 3.45Å; P493-Q496 PolarHBondContact O-N 3.28Å; P493-V497 PolarHBondContact O-N 3.21Å
494V96.9Very high95.7Very high15 Ų1534.9 Ų34.99%0.09120%0.197CC..Hα-helixtrans-54.2-39.5-177.7-177.70000112.5Q496 V497 H498 V550 M551 P555 A556 F558V494-Q496 VanDerWaalsContact C-N 3.3Å; V494-Q496 PolarHBondContact O-N 3.41Å; V494-V497 PolarHBondContact O-N 2.86Å; V494-H498 WeakPolarHBondContact O-CB 3.42Å; V494-H498 PolarHBondContact O-N 3.32Å; V494-V550 HydrophobicContact CG2-CB 4.09Å; V494-V550 HydrophobicContact CG2-CG1 3.77Å; V494-M551 HydrophobicContact CB-CG 4.48Å; V494-M551 HydrophobicContact CG1-CG 3.77Å; V494-M551 HydrophobicContact CG1-SD 4.49Å; V494-M551 HydrophobicContact CG2-CG 3.88Å; V494-P555 WeakPolarHBondContact CG1-O 3.48Å; V494-A556 WeakPolarHBondContact CG1-O 3.19Å; V494-F558 HydrophobicContact CG1-CD2 3.68Å; V494-F558 HydrophobicContact CG1-CE2 3.96Å
495A96.7Very high95.7Very high52 Ų5234 Ų3443%0.4320%0.199SC..Hα-helixtrans-64.1-32178.300000113.5P493 K499P493-A495 PolarHBondContact O-N 3.49Å; P493-A495 VanDerWaalsContact O-N 3.16Å; A495-K499 WeakPolarHBondContact O-CG 3.32Å; A495-K499 PolarHBondContact O-N 2.9Å
496Q96.2Very high95.8Very high91 Ų9134.3 Ų34.343%0.42520%0.202SC..Hα-helixtrans-72.9-45.8175.8-175.7177.38.700110.5P493 V494 H498 K499 A500P493-Q496 WeakPolarHBondContact O-CB 3.45Å; P493-Q496 PolarHBondContact O-N 3.28Å; V494-Q496 VanDerWaalsContact C-N 3.3Å; V494-Q496 PolarHBondContact O-N 3.41Å; Q496-H498 VanDerWaalsContact C-N 3.3Å; Q496-H498 PolarHBondContact O-N 3.4Å; Q496-K499 PolarHBondContact O-N 2.94Å; Q496-A500 PolarHBondContact O-N 3.32Å
497V96.6Very high96Very high0 Ų038 Ų380%022%0.219CC..Hα-helixtrans-61.1-40176.4178.40000111Q487 M488 K492 P493 V494 K499 A500 V501 C547 F558Q487-V497 HydrophobicContact CB-CG1 4.44Å; Q487-V497 HydrophobicContact CB-CG2 4.16Å; M488-V497 HydrophobicContact CB-CG1 4.25Å; K492-V497 HydrophobicContact CB-CG2 3.91Å; P493-V497 PolarHBondContact O-N 3.21Å; V494-V497 PolarHBondContact O-N 2.86Å; V497-K499 PolarHBondContact O-N 3.37Å; V497-A500 PolarHBondContact O-N 2.96Å; V497-V501 HydrophobicContact CG1-CG2 4.15Å; V497-V501 WeakPolarHBondContact O-CG2 3.39Å; V497-V501 PolarHBondContact O-N 3.36Å; V497-C547 HydrophobicContact CG2-CB 4.37Å; V497-F558 HydrophobicContact CG1-CZ 4.41Å
498H97.9Very high96.2Very high40 Ų4038.1 Ų38.119%0.18522%0.219CC..Hα-helixtrans-57.2-49.2173.4170.1-85.6000112.8V494 Q496 A500 V501 A502 P557 F558 V572V494-H498 WeakPolarHBondContact O-CB 3.42Å; V494-H498 PolarHBondContact O-N 3.32Å; Q496-H498 VanDerWaalsContact C-N 3.3Å; Q496-H498 PolarHBondContact O-N 3.4Å; H498-A500 VanDerWaalsContact C-N 3.28Å; H498-A500 PolarHBondContact O-N 2.8Å; H498-V501 PolarHBondContact O-N 3Å; H498-A502 WeakPolarHBondContact O-CB 3.26Å; H498-A502 PolarHBondContact O-N 3.26Å; H498-P557 HydrophobicContact CB-CG 3.5Å; H498-P557 VanDerWaalsContact CB-CG 3.5Å; H498-F558 HydrophobicContact CB-CD2 4.09Å; H498-F558 HydrophobicContact CB-CE1 4.32Å; H498-F558 HydrophobicContact CB-CE2 3.6Å; H498-F558 HydrophobicContact CB-CZ 3.74Å; H498-V572 PolarHBondContact CD2-OXT 2.83Å; H498-V572 PolarHBondContact NE2-OXT 2.82Å
499K97.5Very high96.4Very high155 Ų15538.1 Ų38.167%0.67422%0.219SC*.Hα-helixtrans-60.2-41.2177.2-71.7176.2-179.4-178.90111.5A495 Q496 V497 S503A495-K499 WeakPolarHBondContact O-CG 3.32Å; A495-K499 PolarHBondContact O-N 2.9Å; Q496-K499 PolarHBondContact O-N 2.94Å; V497-K499 PolarHBondContact O-N 3.37Å; K499-S503 PolarHBondContact O-N 3.07Å
500A96.7Very high96.5Very high18 Ų1838.1 Ų38.115%0.14922%0.219CC..Hα-helixtrans-63.6-50.1178.400000111.4I484 Q496 V497 H498 S503I484-A500 HydrophobicContact CG2-CB 4.03Å; I484-A500 WeakPolarHBondContact CG2-O 3.29Å; Q496-A500 PolarHBondContact O-N 3.32Å; V497-A500 PolarHBondContact O-N 2.96Å; H498-A500 VanDerWaalsContact C-N 3.28Å; H498-A500 PolarHBondContact O-N 2.8Å; A500-S503 WeakPolarHBondContact O-CB 3.29Å; A500-S503 PolarHBondContact O-N 3.18Å; A500-S503 PolarHBondContact O-OG 2.84Å
501V97Very high96.6Very high0 Ų038.1 Ų38.10%022%0.219CC..Hα-helixtrans-63.6-43.4177.3175.50000111.6L485 V497 H498 S503 T504 A506 L509 F558 V572L485-V501 HydrophobicContact CD2-CG1 4.37Å; L485-V501 HydrophobicContact CD2-CG2 4.3Å; V497-V501 HydrophobicContact CG1-CG2 4.15Å; V497-V501 WeakPolarHBondContact O-CG2 3.39Å; V497-V501 PolarHBondContact O-N 3.36Å; H498-V501 PolarHBondContact O-N 3Å; V501-S503 VanDerWaalsContact C-N 3.25Å; V501-S503 PolarHBondContact O-N 3.49Å; V501-T504 WeakPolarHBondContact O-CB 3.42Å; V501-T504 PolarHBondContact O-N 3.35Å; V501-T504 PolarHBondContact O-OG1 2.99Å; V501-A506 HydrophobicContact CG1-CB 4.05Å; V501-L509 HydrophobicContact CG1-CD1 4.36Å; V501-L509 HydrophobicContact CG2-CD2 4.31Å; V501-F558 HydrophobicContact CB-CE1 4.48Å; V501-F558 HydrophobicContact CB-CZ 4.41Å; V501-F558 HydrophobicContact CG1-CE1 4.49Å; V501-F558 HydrophobicContact CG2-CZ 4.44Å; V501-V572 HydrophobicContact CG1-CG1 4.16Å; V501-V572 HydrophobicContact CG1-CG2 3.77Å
502A96.4Very high96.6Very high44 Ų4438.2 Ų38.236%0.36422%0.22SC..Hα-helixtrans-60.1-34.8177.600000112.4H498 T504 G505 V572H498-A502 WeakPolarHBondContact O-CB 3.26Å; H498-A502 PolarHBondContact O-N 3.26Å; A502-T504 PolarHBondContact O-N 2.96Å; A502-T504 VanDerWaalsContact O-N 3.15Å; A502-G505 PolarHBondContact O-N 3.4Å; A502-V572 HydrophobicContact CB-CG1 3.85Å
503S95.8Very high96.4Very high92 Ų9239.9 Ų39.964%0.64323%0.226SC*.Hα-helixtrans-62.2-19.9176.877.50000114K499 A500 V501 G505K499-S503 PolarHBondContact O-N 3.07Å; A500-S503 WeakPolarHBondContact O-CB 3.29Å; A500-S503 PolarHBondContact O-N 3.18Å; A500-S503 PolarHBondContact O-OG 2.84Å; V501-S503 VanDerWaalsContact C-N 3.25Å; V501-S503 PolarHBondContact O-N 3.49Å; S503-G505 VanDerWaalsContact C-N 3.3Å
504T94.6Very high96.1Very high18 Ų1841.8 Ų41.811%0.1123%0.232CC..THydrogen-bonded Turntrans-82-6.8175.972.60000113.9V468 I484 L485 V501 A502 A506V468-T504 HydrophobicContact CG1-CG2 4.15Å; I484-T504 HydrophobicContact CG2-CG2 3.74Å; L485-T504 HydrophobicContact CD2-CG2 4.19Å; V501-T504 WeakPolarHBondContact O-CB 3.42Å; V501-T504 PolarHBondContact O-N 3.35Å; V501-T504 PolarHBondContact O-OG1 2.99Å; A502-T504 PolarHBondContact O-N 2.96Å; A502-T504 VanDerWaalsContact O-N 3.15Å; T504-A506 VanDerWaalsContact C-N 3.32Å
505G95.1Very high95.7Very high27 Ų2746 Ų4628%0.27825%0.248SC..THydrogen-bonded Turntrans78.210.3-17400000114.6A502 S503A502-G505 PolarHBondContact O-N 3.4Å; S503-G505 VanDerWaalsContact C-N 3.3Å
506A97Very high95.4Very high7 Ų743.6 Ų43.66%0.05823%0.227CC..  trans-64.5134.5176.100000111.7A450 V468 V501 T504 V572A450-A506 HydrophobicContact CB-CB 3.66Å; V468-A506 HydrophobicContact CG2-CB 3.96Å; V501-A506 HydrophobicContact CG1-CB 4.05Å; T504-A506 VanDerWaalsContact C-N 3.32Å; A506-V572 HydrophobicContact CB-CG2 4.25Å; A506-V572 WeakPolarHBondContact O-CB 3.3Å
507H98Very high94.9Very high85 Ų8544.4 Ų44.439%0.39423%0.229SC..SBendtrans-91.4-29.6171.2-61.3167000111.9V448 V572V448-H507 PolarHBondContact O-N 3.07Å; H507-V572 PolarHBondContact O-N 3.2Å
508Y98.4Very high94.3Very high34 Ų3447.9 Ų47.913%0.13325%0.248CC..EExtended strand (participates in β ladder)trans-135141.9-178.5-62.4-86.3000111.1T443 A447 V448 F449 A450 V561 V569 F570 K571T443-Y508 HydrophobicContact CG2-CD2 4.49Å; T443-Y508 HydrophobicContact CG2-CE1 4.39Å; T443-Y508 HydrophobicContact CG2-CE2 3.93Å; A447-Y508 HydrophobicContact CB-CD2 4.15Å; A447-Y508 HydrophobicContact CB-CE2 3.85Å; V448-Y508 PolarHBondContact O-N 3.09Å; V448-Y508 VanDerWaalsContact O-N 3.08Å; F449-Y508 WeakPolarHBondContact CA-O 3.24Å; F449-Y508 HydrophobicContact CD1-CG 4.42Å; F449-Y508 HydrophobicContact CE1-CD2 4.17Å; F449-Y508 AromaticContact CE1-CG 3.91Å; F449-Y508 HydrophobicContact CE1-CG 3.91Å; F449-Y508 HydrophobicContact CE2-CD2 4.1Å; F449-Y508 AromaticContact CZ-CD2 3.85Å; F449-Y508 HydrophobicContact CZ-CD2 3.85Å; F449-Y508 HydrophobicContact CZ-CG 4.04Å; A450-Y508 PolarHBondContact N-O 3.46Å; Y508-V561 HydrophobicContact CD1-CG2 4.14Å; Y508-V561 HydrophobicContact CE1-CG2 4.1Å; Y508-V569 HydrophobicContact CD1-CG1 3.96Å; Y508-V569 HydrophobicContact CG-CG1 4.39Å; Y508-F570 CarbonylContact C-O 3.59Å; Y508-F570 VanDerWaalsContact CA-O 3.26Å; Y508-F570 WeakPolarHBondContact CA-O 3.48Å; Y508-K571 HydrophobicContact CD1-CB 4.26Å; Y508-K571 HydrophobicContact CE1-CB 4.16Å; Y508-K571 HydrophobicContact CE1-CG 4.23Å
509L97.9Very high93.5Very high0 Ų047 Ų470%025%0.248CC..EExtended strand (participates in β ladder)trans-115.5122.4174-178.366000109.7A450 M488 V501 I511 M551 F558 V569 F570 V572A450-L509 HydrophobicContact CB-CD1 3.99Å; A450-L509 CarbonylContact O-C 3.5Å; A450-L509 WeakPolarHBondContact O-CA 3.13Å; M488-L509 HydrophobicContact SD-CD1 3.78Å; M488-L509 HydrophobicContact SD-CD2 4.11Å; M488-L509 HydrophobicContact SD-CG 4.16Å; V501-L509 HydrophobicContact CG1-CD1 4.36Å; V501-L509 HydrophobicContact CG2-CD2 4.31Å; L509-I511 HydrophobicContact CD2-CD1 4.08Å; L509-I511 HydrophobicContact CD2-CG1 4.31Å; L509-I511 HydrophobicContact CG-CD1 4.44Å; L509-I511 HydrophobicContact CG-CG1 4.14Å; L509-M551 HydrophobicContact CD2-CE 4.24Å; L509-F558 HydrophobicContact CD2-CE1 3.98Å; L509-F558 HydrophobicContact CD2-CZ 4.03Å; L509-V569 WeakPolarHBondContact O-CA 3.33Å; L509-F570 PolarHBondContact N-O 3.37Å; L509-F570 PolarHBondContact O-N 2.78Å; L509-V572 HydrophobicContact CB-CG2 4.19Å
510I97.7Very high92.7Very high0 Ų047 Ų470%025%0.248CC..EExtended strand (participates in β ladder)trans-99.6129.3175.1-54.3-177.6000109.3L435 I439 F449 A450 G451 I455 M456 V459 F567 M568 V569L435-I510 HydrophobicContact CD2-CD1 4.46Å; L435-I510 HydrophobicContact CD2-CG2 4.18Å; I439-I510 HydrophobicContact CD1-CD1 3.79Å; F449-I510 HydrophobicContact CD1-CD1 3.68Å; F449-I510 HydrophobicContact CD1-CG1 3.88Å; F449-I510 HydrophobicContact CE1-CD1 4.18Å; F449-I510 HydrophobicContact CE1-CG1 4.4Å; A450-I510 PolarHBondContact O-N 2.8Å; G451-I510 WeakPolarHBondContact CA-O 3.42Å; I455-I510 HydrophobicContact CG1-CG2 4.35Å; I455-I510 HydrophobicContact CG2-CG2 4.24Å; M456-I510 HydrophobicContact CE-CB 4.25Å; M456-I510 HydrophobicContact CE-CD1 3.86Å; M456-I510 HydrophobicContact CE-CG1 4.23Å; V459-I510 HydrophobicContact CG2-CD1 3.77Å; I510-F567 HydrophobicContact CG2-CD1 4.34Å; I510-M568 WeakPolarHBondContact CA-O 3.48Å; I510-V569 HydrophobicContact CG1-CG1 4.42Å; I510-V569 HydrophobicContact CG1-CG2 4.22Å
511I95.9Very high91.9Very high0 Ų052.8 Ų52.80%028%0.284CS..EExtended strand (participates in β ladder)trans-125127.8177.2-52.6-171.7000109.7M488 F489 L509 C516 C548 M551 M568 F570M488-I511 HydrophobicContact CB-CD1 4.3Å; M488-I511 HydrophobicContact CG-CD1 4.49Å; M488-I511 HydrophobicContact SD-CD1 3.98Å; M488-I511 HydrophobicContact SD-CG1 3.75Å; F489-I511 HydrophobicContact CE1-CG2 4.34Å; L509-I511 HydrophobicContact CD2-CD1 4.08Å; L509-I511 HydrophobicContact CD2-CG1 4.31Å; L509-I511 HydrophobicContact CG-CD1 4.44Å; L509-I511 HydrophobicContact CG-CG1 4.14Å; I511-C516 VanDerWaalsContact CG2-SG 3.51Å; I511-C548 HydrophobicContact CD1-CB 3.86Å; I511-C548 HydrophobicContact CG2-CB 4.02Å; I511-M551 HydrophobicContact CD1-CE 3.85Å; I511-M551 HydrophobicContact CD1-SD 4.05Å; I511-M568 HydrophobicContact CB-CE 4.16Å; I511-M568 HydrophobicContact CG2-CE 4.12Å; I511-M568 PolarHBondContact N-O 2.9Å; I511-M568 PolarHBondContact O-N 3.19Å; I511-F570 HydrophobicContact CB-CE2 4.47Å; I511-F570 HydrophobicContact CD1-CD2 4.04Å; I511-F570 HydrophobicContact CD1-CE2 3.82Å; I511-F570 HydrophobicContact CG1-CD2 4.23Å; I511-F570 HydrophobicContact CG1-CE2 4.15Å
512E94.4Very high90.9Very high30 Ų3056.2 Ų56.214%0.1432%0.319CS..EExtended strand (participates in β ladder)trans-82.5119.6165.8-66177.5-132.300110.2Q452 N514 Y515 V566 F567Q452-E512 VanDerWaalsContact OE1-CG 3.25Å; Q452-E512 PolarHBondContact OE1-OE1 3.2Å; E512-N514 PolarHBondContact O-N 2.97Å; E512-N514 VanDerWaalsContact O-N 3.16Å; E512-Y515 HydrophobicContact CB-CD2 3.7Å; E512-Y515 HydrophobicContact CB-CE2 3.97Å; E512-Y515 PolarHBondContact O-N 2.64Å; E512-Y515 WeakPolarHBondContact OE2-CE2 3.13Å; E512-V566 WeakPolarHBondContact CA-O 3.3Å; E512-F567 HydrophobicContact CG-CD1 3.63Å; E512-F567 HydrophobicContact CG-CE1 3.42Å; E512-F567 VanDerWaalsContact CG-CE1 3.42Å; E512-F567 HydrophobicContact CG-CZ 4.49Å
513R91.7Very high90.1Very high63 Ų6355.2 Ų55.224%0.23831%0.311CS..G310 helixtrans-60.1-29.9-173.9-66.8178.271-155.6-0.1113.2Y515 C516 F517 G565 V566 M568R513-Y515 PolarHBondContact O-N 2.79Å; R513-C516 WeakPolarHBondContact O-CB 3.48Å; R513-C516 PolarHBondContact O-N 3.38Å; R513-F517 WeakPolarHBondContact O-CE2 3.3Å; R513-G565 PolarHBondContact NH1-O 3.19Å; R513-V566 WeakPolarHBondContact CB-O 3.35Å; R513-V566 WeakPolarHBondContact CG-O 3.45Å; R513-V566 PolarHBondContact N-O 3.19Å; R513-M568 HydrophobicContact CG-CE 3.66Å; R513-M568 HydrophobicContact CG-CG 3.81Å; R513-M568 HydrophobicContact CG-SD 3.78Å
514N88.9Confident89Confident106 Ų10657.3 Ų57.357%0.56732%0.32SS*.G310 helixtrans-61.3-18.2-177.7-67.9-17.6000113.4E512E512-N514 PolarHBondContact O-N 2.97Å; E512-N514 VanDerWaalsContact O-N 3.16Å
515Y88.7Confident88.2Confident105 Ų10561.3 Ų61.341%0.41233%0.333SS..G310 helixtrans-100.92.8179.7-61.6-77.4000113.9E512 R513 F517 F530E512-Y515 HydrophobicContact CB-CD2 3.7Å; E512-Y515 HydrophobicContact CB-CE2 3.97Å; E512-Y515 PolarHBondContact O-N 2.64Å; E512-Y515 WeakPolarHBondContact OE2-CE2 3.13Å; R513-Y515 PolarHBondContact O-N 2.79Å; Y515-F517 VanDerWaalsContact C-N 3.33Å; Y515-F517 PolarHBondContact O-N 3.3Å; Y515-F530 AromaticContact CD1-CD2 3.7Å; Y515-F530 HydrophobicContact CD1-CD2 3.7Å; Y515-F530 AromaticContact CD1-CE2 3.38Å; Y515-F530 HydrophobicContact CD1-CE2 3.38Å; Y515-F530 AromaticContact CE1-CE2 3.84Å; Y515-F530 HydrophobicContact CE1-CE2 3.84Å; Y515-F530 HydrophobicContact CG-CD2 4.05Å; Y515-F530 AromaticContact CG-CE2 3.85Å; Y515-F530 HydrophobicContact CG-CE2 3.85Å
516C90.7Very high87.5Confident0 Ų062.8 Ų62.80%033%0.334CS..SBendtrans-93.922.5-177.5-68.30000114.6I511 R513 C548 S549I511-C516 VanDerWaalsContact CG2-SG 3.51Å; R513-C516 WeakPolarHBondContact O-CB 3.48Å; R513-C516 PolarHBondContact O-N 3.38Å; C516-C548 WeakPolarHBondContact CA-SG 3.25Å; C516-C548 HydrophobicContact CB-CB 4.16Å; C516-C548 WeakPolarHBondContact CB-SG 3.32Å; C516-C548 WeakPolarHBondContact SG-CB 3.46Å; C516-C548 CovalentContact SG-SG 2.04Å; C516-C548 PolarHBondContact SG-SG 3.28Å; C516-S549 WeakPolarHBondContact O-CB 3.21Å
517F85.4Confident86.6Confident108 Ų10865.8 Ų65.847%0.47435%0.347SS..SBendtrans-120.6145.9-177.2-55.5-73000110.7R513 Y515R513-F517 WeakPolarHBondContact O-CE2 3.3Å; Y515-F517 VanDerWaalsContact C-N 3.33Å; Y515-F517 PolarHBondContact O-N 3.3Å
518D85.1Confident86Confident73 Ų7363.7 Ų63.739%0.3934%0.341SS..PPolyproline II helixtrans-67.1155.1171.1-74.8-55.3000111.5R491 K520 V546R491-D518 IonicContact CZ-OD1 3.1Å; R491-D518 IonicContact NH1-OD1 2.8Å; R491-D518 PolarHBondContact NH1-OD1 3.47Å; R491-D518 IonicContact NH1-OD2 3.66Å; R491-D518 IonicContact NH2-OD1 2.64Å; R491-D518 PolarHBondContact NH2-OD1 3.24Å; D518-K520 PolarHBondContact O-N 3.34Å; D518-V546 VanDerWaalsContact OD1-CG2 3.3Å; D518-V546 WeakPolarHBondContact OD1-CG2 3.44Å
519A81.1Confident85.4Confident22 Ų2265.7 Ų65.718%0.18235%0.349CS..PPolyproline II helixtrans-57.3129170.900000109.9N526 Y529 N532A519-N526 HydrophobicContact CB-CB 4.3Å; A519-Y529 HydrophobicContact CB-CD1 4.16Å; A519-Y529 HydrophobicContact CB-CD2 3.46Å; A519-Y529 VanDerWaalsContact CB-CD2 3.46Å; A519-Y529 HydrophobicContact CB-CE1 4.42Å; A519-Y529 HydrophobicContact CB-CE2 3.76Å; A519-Y529 HydrophobicContact CB-CG 3.67Å; A519-N532 WeakPolarHBondContact CB-ND2 3.36Å
520K81.3Confident85Confident156 Ų15667.5 Ų67.568%0.67836%0.357SS*.PPolyproline II helixtrans-66.9144.1173.6-66.9-176.4-179.3179.80109.1D518 G522 A523D518-K520 PolarHBondContact O-N 3.34Å; K520-G522 PolarHBondContact O-N 3.12Å; K520-A523 HydrophobicContact CB-CB 4.39Å; K520-A523 VanDerWaalsContact O-CB 3.3Å; K520-A523 WeakPolarHBondContact O-CB 3.36Å; K520-A523 PolarHBondContact O-N 3.16Å
521P78.2Confident84.5Confident138 Ų13867.7 Ų67.790%0.89636%0.358SS*.THydrogen-bonded Turntrans-52.8126.1172.7-25.433.8000110.9A523P521-A523 VanDerWaalsContact C-N 3.35Å
522G77.4Confident84.1Confident72 Ų7269.2 Ų69.274%0.74237%0.367SS*.THydrogen-bonded Turntrans77.49.8-177.900000115.8K520K520-G522 PolarHBondContact O-N 3.12Å
523A78.6Confident83.7Confident24 Ų2468 Ų6820%0.19836%0.362CS..  trans-62.6141.1173.600000111.2K520 P521 R525 N526 Y529K520-A523 HydrophobicContact CB-CB 4.39Å; K520-A523 VanDerWaalsContact O-CB 3.3Å; K520-A523 WeakPolarHBondContact O-CB 3.36Å; K520-A523 PolarHBondContact O-N 3.16Å; P521-A523 VanDerWaalsContact C-N 3.35Å; A523-R525 PolarHBondContact O-N 3.33Å; A523-N526 VanDerWaalsContact CB-OD1 3.29Å; A523-N526 WeakPolarHBondContact CB-OD1 3.4Å; A523-N526 PolarHBondContact O-OD1 2.86Å; A523-Y529 HydrophobicContact CB-CE2 4.11Å
524V72.4Confident83.5Confident136 Ų13665.4 Ų65.482%0.82435%0.352SS*.THydrogen-bonded Turntrans-73.9125.2178.6178.70000107.8
525R78.9Confident83.5Confident102 Ų10261.8 Ų61.839%0.38533%0.333SS..THydrogen-bonded Turntrans63.157.7-174.3-52.8178.870.5-171.44.5113.5L286 A523 E527 C528L286-R525 PolarHBondContact O-NH2 3.2Å; A523-R525 PolarHBondContact O-N 3.33Å; R525-E527 VanDerWaalsContact C-OE2 3.28Å; R525-E527 WeakPolarHBondContact CA-OE2 3.46Å; R525-E527 PolarHBondContact O-N 3.21Å; R525-E527 VanDerWaalsContact O-N 3.14Å; R525-C528 HydrophobicContact CB-CB 4.31Å; R525-C528 VanDerWaalsContact CZ-SG 3.56Å; R525-C528 PolarHBondContact NH2-SG 2.95Å; R525-C528 WeakPolarHBondContact O-CB 3.3Å; R525-C528 PolarHBondContact O-N 3.4Å
526N79.8Confident83.2Confident57 Ų5764.2 Ų64.231%0.30534%0.342SS..G310 helixtrans-52.8-32.8176.2-76.6-25.9000112.7A519 A523 C528 Y529 N532A519-N526 HydrophobicContact CB-CB 4.3Å; A523-N526 VanDerWaalsContact CB-OD1 3.29Å; A523-N526 WeakPolarHBondContact CB-OD1 3.4Å; A523-N526 PolarHBondContact O-OD1 2.86Å; N526-C528 PolarHBondContact O-N 2.76Å; N526-C528 VanDerWaalsContact O-N 3.14Å; N526-Y529 PolarHBondContact O-N 2.89Å; N526-N532 WeakPolarHBondContact O-CB 3.39Å; N526-N532 PolarHBondContact O-ND2 2.94Å
527E78Confident82.9Confident71 Ų7167.6 Ų67.633%0.33236%0.358SS..G310 helixtrans-61.5-16176.465.9-81.8-176.300114.1Y283 R525Y283-E527 HydrophobicContact CD1-CB 4.24Å; Y283-E527 HydrophobicContact CD1-CG 4.3Å; Y283-E527 HydrophobicContact CE1-CB 3.54Å; Y283-E527 HydrophobicContact CE1-CG 3.7Å; R525-E527 VanDerWaalsContact C-OE2 3.28Å; R525-E527 WeakPolarHBondContact CA-OE2 3.46Å; R525-E527 PolarHBondContact O-N 3.21Å; R525-E527 VanDerWaalsContact O-N 3.14Å
528C85.1Confident83.1Confident40 Ų4062.9 Ų62.927%0.2734%0.338SS..G310 helixtrans-89.11.3178.7-68.10000115.5C287 R525 N526C287-C528 WeakPolarHBondContact CA-SG 2.95Å; C287-C528 HydrophobicContact CB-CB 3.59Å; C287-C528 WeakPolarHBondContact CB-SG 3.3Å; C287-C528 WeakPolarHBondContact SG-CA 3.49Å; C287-C528 WeakPolarHBondContact SG-CB 3.32Å; C287-C528 CovalentContact SG-SG 2.04Å; C287-C528 PolarHBondContact SG-SG 3.27Å; R525-C528 HydrophobicContact CB-CB 4.31Å; R525-C528 VanDerWaalsContact CZ-SG 3.56Å; R525-C528 PolarHBondContact NH2-SG 2.95Å; R525-C528 WeakPolarHBondContact O-CB 3.3Å; R525-C528 PolarHBondContact O-N 3.4Å; N526-C528 PolarHBondContact O-N 2.76Å; N526-C528 VanDerWaalsContact O-N 3.14Å
529Y87.2Confident83.2Confident76 Ų7663.1 Ų63.130%0.29834%0.343SS..SBendtrans-78.6131.1165.6-74.2-100.8000109A519 A523 N526 S531 N532 A533A519-Y529 HydrophobicContact CB-CD1 4.16Å; A519-Y529 HydrophobicContact CB-CD2 3.46Å; A519-Y529 VanDerWaalsContact CB-CD2 3.46Å; A519-Y529 HydrophobicContact CB-CE1 4.42Å; A519-Y529 HydrophobicContact CB-CE2 3.76Å; A519-Y529 HydrophobicContact CB-CG 3.67Å; A523-Y529 HydrophobicContact CB-CE2 4.11Å; N526-Y529 PolarHBondContact O-N 2.89Å; Y529-S531 PolarHBondContact O-N 3.32Å; Y529-N532 PolarHBondContact O-N 3.45Å; Y529-A533 PolarHBondContact O-N 3.37Å
530F88.6Confident83.7Confident38 Ų3869 Ų6917%0.16737%0.371CS..Hα-helixtrans-58.4-34.4-176.8-73.5-62.1000113L284 Y486 F489 Y515 A533 W534L284-F530 HydrophobicContact CD2-CE1 3.83Å; Y486-F530 HydrophobicContact CD2-CD1 4.11Å; Y486-F530 AromaticContact CD2-CE1 3.87Å; Y486-F530 HydrophobicContact CD2-CE1 3.87Å; Y486-F530 HydrophobicContact CD2-CZ 4.42Å; Y486-F530 HydrophobicContact CE2-CD1 4.3Å; Y486-F530 AromaticContact CE2-CE1 3.62Å; Y486-F530 HydrophobicContact CE2-CE1 3.62Å; Y486-F530 AromaticContact CE2-CZ 3.83Å; Y486-F530 HydrophobicContact CE2-CZ 3.83Å; F489-F530 HydrophobicContact CB-CB 3.43Å; F489-F530 VanDerWaalsContact CB-CB 3.43Å; F489-F530 HydrophobicContact CB-CG 4.27Å; F489-F530 HydrophobicContact CD1-CB 4.39Å; F489-F530 HydrophobicContact CD1-CD2 4.38Å; F489-F530 HydrophobicContact CD2-CB 4.03Å; F489-F530 HydrophobicContact CD2-CD1 4.46Å; F489-F530 AromaticContact CD2-CD2 3.97Å; F489-F530 HydrophobicContact CD2-CD2 3.97Å; F489-F530 AromaticContact CD2-CG 3.92Å; F489-F530 HydrophobicContact CD2-CG 3.92Å; F489-F530 HydrophobicContact CE2-CD2 4.11Å; F489-F530 HydrophobicContact CE2-CE2 4.3Å; F489-F530 HydrophobicContact CE2-CG 4.47Å; F489-F530 HydrophobicContact CG-CB 3.71Å; F489-F530 HydrophobicContact CG-CD2 4.12Å; F489-F530 HydrophobicContact CG-CG 4.06Å; F489-F530 HydrophobicContact CZ-CD2 4.4Å; Y515-F530 AromaticContact CD1-CD2 3.7Å; Y515-F530 HydrophobicContact CD1-CD2 3.7Å; Y515-F530 AromaticContact CD1-CE2 3.38Å; Y515-F530 HydrophobicContact CD1-CE2 3.38Å; Y515-F530 AromaticContact CE1-CE2 3.84Å; Y515-F530 HydrophobicContact CE1-CE2 3.84Å; Y515-F530 HydrophobicContact CG-CD2 4.05Å; Y515-F530 AromaticContact CG-CE2 3.85Å; Y515-F530 HydrophobicContact CG-CE2 3.85Å; F530-A533 PolarHBondContact O-N 3.16Å; F530-W534 VanDerWaalsContact O-CD1 3.31Å; F530-W534 PolarHBondContact O-N 3.22Å
531S88.3Confident84.2Confident4 Ų462.7 Ų62.73%0.02835%0.345CS..Hα-helixtrans-60.2-48174.552.20000111.6F489 Y529 A533 W534 D535F489-S531 VanDerWaalsContact O-CA 3.28Å; F489-S531 WeakPolarHBondContact O-CA 3.46Å; Y529-S531 PolarHBondContact O-N 3.32Å; S531-A533 VanDerWaalsContact C-N 3.34Å; S531-A533 PolarHBondContact O-N 3.2Å; S531-W534 WeakPolarHBondContact O-CB 3.24Å; S531-W534 PolarHBondContact O-N 2.96Å; S531-W534 VanDerWaalsContact O-N 3.09Å; S531-D535 VanDerWaalsContact O-CG 3.23Å; S531-D535 PolarHBondContact O-N 3.01Å
532N86.7Confident84.7Confident33 Ų3361 Ų6118%0.17633%0.328CS..Hα-helixtrans-65.7-36.2178.8-65.811.5000112.3A519 N526 Y529 W534 D535 Y536A519-N532 WeakPolarHBondContact CB-ND2 3.36Å; N526-N532 WeakPolarHBondContact O-CB 3.39Å; N526-N532 PolarHBondContact O-ND2 2.94Å; Y529-N532 PolarHBondContact O-N 3.45Å; N532-W534 VanDerWaalsContact C-N 3.26Å; N532-W534 PolarHBondContact O-N 3.35Å; N532-D535 PolarHBondContact O-N 2.85Å; N532-Y536 WeakPolarHBondContact O-CD2 3.48Å
533A85.4Confident85.1Confident4 Ų461.2 Ų61.23%0.03333%0.33CS..Hα-helixtrans-64-33.2173.700000112.1F280 Y283 Y529 F530 S531F280-A533 HydrophobicContact CD2-CB 4.33Å; Y283-A533 HydrophobicContact CD2-CB 3.99Å; Y283-A533 HydrophobicContact CG-CB 4.19Å; Y529-A533 PolarHBondContact O-N 3.37Å; F530-A533 PolarHBondContact O-N 3.16Å; S531-A533 VanDerWaalsContact C-N 3.34Å; S531-A533 PolarHBondContact O-N 3.2Å
534W88.4Confident85.8Confident9 Ų963.8 Ų63.83%0.03434%0.341CS..Hα-helixtrans-76.6-32.6174.5-92107.6000114F280 K483 Y486 Q487 F530 S531 N532 Y536 E537 D538F280-W534 HydrophobicContact CD2-CD2 4.37Å; F280-W534 HydrophobicContact CD2-CG 4.44Å; F280-W534 AromaticContact CE2-CD1 3.78Å; F280-W534 HydrophobicContact CE2-CD2 4.37Å; F280-W534 AromaticContact CE2-CE2 3.73Å; F280-W534 HydrophobicContact CE2-CG 4.38Å; F280-W534 HydrophobicContact CE2-CZ2 4.23Å; F280-W534 AromaticContact CE2-NE1 3.34Å; F280-W534 VanDerWaalsContact CE2-NE1 3.34Å; F280-W534 HydrophobicContact CZ-CZ2 4.27Å; F280-W534 AromaticContact CZ-NE1 3.93Å; K483-W534 HydrophobicContact CG-CH2 3.78Å; K483-W534 HydrophobicContact CG-CZ2 4.18Å; K483-W534 WeakPolarHBondContact O-CH2 3.44Å; K483-W534 WeakPolarHBondContact O-CZ2 2.99Å; Y486-W534 PolarHBondContact O-NE1 3.32Å; Q487-W534 HydrophobicContact CB-CH2 4.5Å; Q487-W534 HydrophobicContact CB-CZ2 4.3Å; Q487-W534 HydrophobicContact CG-CH2 3.46Å; Q487-W534 VanDerWaalsContact CG-CH2 3.46Å; Q487-W534 HydrophobicContact CG-CZ2 3.66Å; Q487-W534 HydrophobicContact CG-CZ3 4.22Å; F530-W534 VanDerWaalsContact O-CD1 3.31Å; F530-W534 PolarHBondContact O-N 3.22Å; S531-W534 WeakPolarHBondContact O-CB 3.24Å; S531-W534 PolarHBondContact O-N 2.96Å; S531-W534 VanDerWaalsContact O-N 3.09Å; N532-W534 VanDerWaalsContact C-N 3.26Å; N532-W534 PolarHBondContact O-N 3.35Å; W534-Y536 PolarHBondContact O-N 2.04Å; W534-Y536 VanDerWaalsContact O-N 3.13Å; W534-E537 HydrophobicContact CE3-CB 4.09Å; W534-E537 HydrophobicContact CZ3-CB 4.33Å; W534-E537 PolarHBondContact O-N 3.22Å; W534-D538 HydrophobicContact CE3-CB 4.44Å; W534-D538 PolarHBondContact O-N 3.16Å
535D87.9Confident86.8Confident30 Ų3061.1 Ų61.116%0.1633%0.328CS..Hα-helixtrans-58.5-26.4-179.7-74.8-14.6000112R491 S531 N532 L542R491-D535 WeakPolarHBondContact CD-OD1 3.48Å; R491-D535 IonicContact CZ-OD1 3.67Å; R491-D535 IonicContact CZ-OD2 2.84Å; R491-D535 IonicContact NE-OD1 2.78Å; R491-D535 PolarHBondContact NE-OD1 3.05Å; R491-D535 IonicContact NE-OD2 3.68Å; R491-D535 PolarHBondContact NE-OD2 3.04Å; R491-D535 IonicContact NH2-OD2 2.76Å; R491-D535 PolarHBondContact NH2-OD2 3.07Å; R491-D535 VanDerWaalsContact NH2-OD2 3.15Å; S531-D535 VanDerWaalsContact O-CG 3.23Å; S531-D535 PolarHBondContact O-N 3.01Å; N532-D535 PolarHBondContact O-N 2.85Å; D535-L542 HydrophobicContact CB-CD2 3.71Å
536Y82.3Confident87.5Confident156 Ų15656.4 Ų56.461%0.61231%0.311SS*.THydrogen-bonded Turntrans-74.3-30.9171.8-70.3-75.8000114.4Y283 N532 W534Y283-Y536 AromaticContact CE2-CD2 3.73Å; Y283-Y536 HydrophobicContact CE2-CD2 3.73Å; Y283-Y536 AromaticContact CE2-CE2 3.93Å; Y283-Y536 HydrophobicContact CE2-CE2 3.93Å; Y283-Y536 WeakPolarHBondContact OH-CE2 3.49Å; N532-Y536 WeakPolarHBondContact O-CD2 3.48Å; W534-Y536 PolarHBondContact O-N 2.04Å; W534-Y536 VanDerWaalsContact O-N 3.13Å
537E85.4Confident88.2Confident70 Ų7053.8 Ų53.833%0.32730%0.297SS..THydrogen-bonded Turntrans-90.8-21.7-179.5-64.2-81.9159.700112.5F280 K483 W534F280-E537 HydrophobicContact CB-CG 3.61Å; F280-E537 PolarHBondContact N-OE1 3.49Å; F280-E537 VanDerWaalsContact N-OE1 3.07Å; K483-E537 IonicContact NZ-OE2 3.07Å; K483-E537 PolarHBondContact NZ-OE2 3.37Å; W534-E537 HydrophobicContact CE3-CB 4.09Å; W534-E537 HydrophobicContact CZ3-CB 4.33Å; W534-E537 PolarHBondContact O-N 3.22Å
538D89.6Confident89Confident10 Ų1050.4 Ų50.45%0.05328%0.281CS..  trans-132.664.2-172.5-171.831.2000112.2K492 W534 D540 N541K492-D538 VanDerWaalsContact CE-OD2 3.24Å; K492-D538 WeakPolarHBondContact CE-OD2 3.39Å; K492-D538 WeakPolarHBondContact CG-OD2 3.34Å; K492-D538 IonicContact NZ-OD1 3.97Å; K492-D538 PolarHBondContact NZ-OD1 2.8Å; K492-D538 IonicContact NZ-OD2 2.73Å; K492-D538 PolarHBondContact NZ-OD2 3.38Å; W534-D538 HydrophobicContact CE3-CB 4.44Å; W534-D538 PolarHBondContact O-N 3.16Å; D538-D540 PolarHBondContact O-N 2.93Å; D538-N541 VanDerWaalsContact CG-ND2 3.3Å; D538-N541 PolarHBondContact O-N 2.84Å; D538-N541 PolarHBondContact OD1-ND2 3.05Å; D538-N541 PolarHBondContact OD2-ND2 3.34Å
539P87Confident89.4Confident77 Ų7750.2 Ų50.250%0.528%0.28SS..G310 helixtrans-63-23.6-177.526.7-35.2000113N541 L542P539-N541 PolarHBondContact O-N 2.87Å; P539-L542 HydrophobicContact CB-CD1 4.19Å; P539-L542 WeakPolarHBondContact O-CB 3.1Å; P539-L542 WeakPolarHBondContact O-CD1 3.47Å; P539-L542 VanDerWaalsContact O-CG 3.25Å; P539-L542 WeakPolarHBondContact O-CG 3.42Å; P539-L542 PolarHBondContact O-N 3.21Å
540D91.1Very high89.8Confident146 Ų14649 Ų4978%0.78128%0.281SS*.G310 helixtrans-66.2-24.2-176.9-63-26.3000113.4D538D538-D540 PolarHBondContact O-N 2.93Å
541N92.1Very high90.1Very high24 Ų2447.2 Ų47.213%0.12827%0.273CS..G310 helixtrans-104.311.6-177.8-68.9-77.9000113.2R491 D538 P539 G543 N544R491-N541 HydrophobicContact CB-CB 4.09Å; R491-N541 WeakPolarHBondContact CB-O 3.48Å; D538-N541 VanDerWaalsContact CG-ND2 3.3Å; D538-N541 PolarHBondContact O-N 2.84Å; D538-N541 PolarHBondContact OD1-ND2 3.05Å; D538-N541 PolarHBondContact OD2-ND2 3.34Å; P539-N541 PolarHBondContact O-N 2.87Å; N541-G543 PolarHBondContact O-N 2.77Å; N541-N544 WeakPolarHBondContact O-CB 3.4Å; N541-N544 PolarHBondContact O-N 3.28Å; N541-N544 PolarHBondContact OD1-ND2 2.94Å
542L88.5Confident90.3Very high101 Ų10149.4 Ų49.453%0.52928%0.282SS..THydrogen-bonded Turntrans-57.2133174.2-73171.1000110.7D535 P539D535-L542 HydrophobicContact CB-CD2 3.71Å; P539-L542 HydrophobicContact CB-CD1 4.19Å; P539-L542 WeakPolarHBondContact O-CB 3.1Å; P539-L542 WeakPolarHBondContact O-CD1 3.47Å; P539-L542 VanDerWaalsContact O-CG 3.25Å; P539-L542 WeakPolarHBondContact O-CG 3.42Å; P539-L542 PolarHBondContact O-N 3.21Å
543G87Confident90.5Very high77 Ų7756.7 Ų56.779%0.79431%0.313SS*.THydrogen-bonded Turntrans95.8-16.8-177.800000114.9N541N541-G543 PolarHBondContact O-N 2.77Å
544N93Very high91Very high79 Ų7961.3 Ų61.342%0.42234%0.337SS..SBendtrans-72.9158.6171.4-69-24.3000111.4R491 N541R491-N544 HydrophobicContact CB-CB 4.01Å; R491-N544 VanDerWaalsContact CD-O 3.3Å; R491-N544 WeakPolarHBondContact CD-O 3.49Å; R491-N544 PolarHBondContact NH1-O 2.89Å; R491-N544 WeakPolarHBondContact O-CB 3.46Å; N541-N544 WeakPolarHBondContact O-CB 3.4Å; N541-N544 PolarHBondContact O-N 3.28Å; N541-N544 PolarHBondContact OD1-ND2 2.94Å
545S92.4Very high91.3Very high80 Ų8062.3 Ų62.356%0.55934%0.344SS*.PPolyproline II helixtrans-70.6148171.5-63.30000111.1C547S545-C547 PolarHBondContact O-N 3.49Å
546V93.8Very high91.6Very high3 Ų363.6 Ų63.62%0.01836%0.359CS..PPolyproline II helixtrans-56.1129.6174.8179.90000110.7D518 C548 S549 V550D518-V546 VanDerWaalsContact OD1-CG2 3.3Å; D518-V546 WeakPolarHBondContact OD1-CG2 3.44Å; V546-C548 PolarHBondContact O-N 3.23Å; V546-S549 WeakPolarHBondContact O-CA 3.45Å; V546-S549 VanDerWaalsContact O-CB 3.24Å; V546-S549 WeakPolarHBondContact O-CB 3.31Å; V546-S549 PolarHBondContact O-N 2.86Å; V546-V550 PolarHBondContact O-N 3.25Å
547C95.1Very high92.3Very high1 Ų159.2 Ų59.21%0.00735%0.35CS..Hα-helixtrans-53.8-51.3-172.1177.20000112.3M488 S490 K492 V497 S545 S549 V550 M551M488-C547 WeakPolarHBondContact O-CB 3.35Å; S490-C547 WeakPolarHBondContact O-CB 3.23Å; S490-C547 PolarHBondContact O-N 3.15Å; K492-C547 WeakPolarHBondContact O-CB 3.31Å; V497-C547 HydrophobicContact CG2-CB 4.37Å; S545-C547 PolarHBondContact O-N 3.49Å; C547-S549 PolarHBondContact O-N 3.36Å; C547-V550 CarbonylContact O-C 3.36Å; C547-V550 WeakPolarHBondContact O-CA 3.48Å; C547-V550 WeakPolarHBondContact O-CB 3.39Å; C547-V550 PolarHBondContact O-N 2.88Å; C547-M551 WeakPolarHBondContact O-CG 3.45Å; C547-M551 PolarHBondContact O-N 2.9Å
548C94.8Very high92.8Very high0 Ų056.1 Ų56.10%034%0.335CS..Hα-helixtrans-69.9-15.7-179.5710000114.6M488 I511 C516 V546 Q552M488-C548 VanDerWaalsContact O-CB 3.23Å; M488-C548 WeakPolarHBondContact O-CB 3.41Å; M488-C548 PolarHBondContact O-N 2.94Å; I511-C548 HydrophobicContact CD1-CB 3.86Å; I511-C548 HydrophobicContact CG2-CB 4.02Å; C516-C548 WeakPolarHBondContact CA-SG 3.25Å; C516-C548 HydrophobicContact CB-CB 4.16Å; C516-C548 WeakPolarHBondContact CB-SG 3.32Å; C516-C548 WeakPolarHBondContact SG-CB 3.46Å; C516-C548 CovalentContact SG-SG 2.04Å; C516-C548 PolarHBondContact SG-SG 3.28Å; V546-C548 PolarHBondContact O-N 3.23Å; C548-Q552 PolarHBondContact O-N 2.87Å; C548-Q552 PolarHBondContact O-NE2 3.31Å
549S93.9Very high93.2Very high36 Ų3662.6 Ų62.625%0.25236%0.363SS..Hα-helixtrans-75.5-39.7167-167.70000111.3C516 V546 C547 Q552C516-S549 WeakPolarHBondContact O-CB 3.21Å; V546-S549 WeakPolarHBondContact O-CA 3.45Å; V546-S549 VanDerWaalsContact O-CB 3.24Å; V546-S549 WeakPolarHBondContact O-CB 3.31Å; V546-S549 PolarHBondContact O-N 2.86Å; C547-S549 PolarHBondContact O-N 3.36Å; S549-Q552 WeakPolarHBondContact O-CB 3.3Å; S549-Q552 PolarHBondContact O-N 2.98Å
550V94.7Very high93.6Very high52 Ų5261.7 Ų61.732%0.31535%0.352SS..Hα-helixtrans-63.9-43.2172.7-179.10000110.7V494 V546 C547 Q552 K553 N554V494-V550 HydrophobicContact CG2-CB 4.09Å; V494-V550 HydrophobicContact CG2-CG1 3.77Å; V546-V550 PolarHBondContact O-N 3.25Å; C547-V550 CarbonylContact O-C 3.36Å; C547-V550 WeakPolarHBondContact O-CA 3.48Å; C547-V550 WeakPolarHBondContact O-CB 3.39Å; C547-V550 PolarHBondContact O-N 2.88Å; V550-Q552 PolarHBondContact O-N 3.23Å; V550-K553 PolarHBondContact O-N 2.86Å; V550-N554 PolarHBondContact O-N 2.83Å
551M94.7Very high93.9Very high0 Ų057.3 Ų57.30%033%0.33CS..Hα-helixtrans-59.6-29178.8-69.2173.465.700113.4V494 L509 I511 C547 K553 P555 F558 F570V494-M551 HydrophobicContact CB-CG 4.48Å; V494-M551 HydrophobicContact CG1-CG 3.77Å; V494-M551 HydrophobicContact CG1-SD 4.49Å; V494-M551 HydrophobicContact CG2-CG 3.88Å; L509-M551 HydrophobicContact CD2-CE 4.24Å; I511-M551 HydrophobicContact CD1-CE 3.85Å; I511-M551 HydrophobicContact CD1-SD 4.05Å; C547-M551 WeakPolarHBondContact O-CG 3.45Å; C547-M551 PolarHBondContact O-N 2.9Å; M551-K553 PolarHBondContact O-N 3.24Å; M551-P555 WeakPolarHBondContact O-CA 3.42Å; M551-P555 WeakPolarHBondContact O-CB 3.46Å; M551-P555 WeakPolarHBondContact O-CD 3.19Å; M551-F558 HydrophobicContact CE-CB 4.36Å; M551-F558 HydrophobicContact CE-CD1 4.39Å; M551-F558 HydrophobicContact CE-CD2 3.49Å; M551-F558 VanDerWaalsContact CE-CD2 3.49Å; M551-F558 HydrophobicContact CE-CE2 3.69Å; M551-F558 HydrophobicContact CE-CG 3.86Å; M551-F558 HydrophobicContact CE-CZ 4.23Å; M551-F558 HydrophobicContact SD-CD2 4.26Å; M551-F558 HydrophobicContact SD-CE2 4.1Å; M551-F570 HydrophobicContact CB-CE1 4.48Å; M551-F570 HydrophobicContact CB-CZ 4.25Å; M551-F570 HydrophobicContact CE-CD1 4.19Å; M551-F570 HydrophobicContact CE-CD2 3.8Å; M551-F570 HydrophobicContact CE-CE1 4.39Å; M551-F570 HydrophobicContact CE-CE2 4Å; M551-F570 HydrophobicContact CE-CG 3.9Å; M551-F570 HydrophobicContact CE-CZ 4.3Å
552Q91.9Very high94.1Very high49 Ų4957.5 Ų57.523%0.22933%0.33CS..THydrogen-bonded Turntrans-64.6-26.1174.2-80.8176.273.600113.4C548 S549 V550 M568C548-Q552 PolarHBondContact O-N 2.87Å; C548-Q552 PolarHBondContact O-NE2 3.31Å; S549-Q552 WeakPolarHBondContact O-CB 3.3Å; S549-Q552 PolarHBondContact O-N 2.98Å; V550-Q552 PolarHBondContact O-N 3.23Å; Q552-M568 HydrophobicContact CG-CE 3.56Å; Q552-M568 HydrophobicContact CG-SD 3.35Å; Q552-M568 WeakPolarHBondContact CG-SD 3.45Å
553K92.4Very high94.3Very high187 Ų18757.8 Ų57.881%0.81333%0.328SS*.THydrogen-bonded Turntrans-102.9-43.1-177.9-61.2178.3-176.5175.80111.6V550 M551V550-K553 PolarHBondContact O-N 2.86Å; M551-K553 PolarHBondContact O-N 3.24Å
554N94.7Very high94.5Very high101 Ų10154.9 Ų54.954%0.5430%0.296SS..  trans-140.289.4179.7-174.312.5000109.6V550 A556V550-N554 PolarHBondContact O-N 2.83Å; N554-A556 VanDerWaalsContact C-N 3.3Å; N554-A556 PolarHBondContact O-N 3.43Å
555P94.6Very high94.1Very high29 Ų2953.3 Ų53.319%0.18830%0.298CS..  trans-75.1-15.3-175.427.8-33.5000114.1V494 M551 F558 Q560 F570V494-P555 WeakPolarHBondContact CG1-O 3.48Å; M551-P555 WeakPolarHBondContact O-CA 3.42Å; M551-P555 WeakPolarHBondContact O-CB 3.46Å; M551-P555 WeakPolarHBondContact O-CD 3.19Å; P555-F558 CarbonylContact C-O 3.33Å; P555-F558 HydrophobicContact CB-CB 4.34Å; P555-F558 WeakPolarHBondContact O-CA 3.46Å; P555-F558 WeakPolarHBondContact O-CB 3.46Å; P555-F558 PolarHBondContact O-N 3.38Å; P555-Q560 HydrophobicContact CG-CB 4.5Å; P555-F570 HydrophobicContact CB-CD1 3.87Å; P555-F570 HydrophobicContact CB-CE1 3.7Å
556A95.2Very high94.1Very high58 Ų5850.7 Ų50.748%0.47928%0.279SS..THydrogen-bonded Turntrans-55.4136.1-173.100000111.9V494 N554V494-A556 WeakPolarHBondContact CG1-O 3.19Å; N554-A556 VanDerWaalsContact C-N 3.3Å; N554-A556 PolarHBondContact O-N 3.43Å
557P95.9Very high94.2Very high63 Ų6351 Ų5141%0.40928%0.28SS..THydrogen-bonded Turncis-79.8-6.88.832.2-38.6000116.3H498H498-P557 HydrophobicContact CB-CG 3.5Å; H498-P557 VanDerWaalsContact CB-CG 3.5Å
558F97.2Very high94.2Very high5 Ų550.9 Ų50.92%0.02228%0.279CS..SBendtrans-63.7152172.3-62.2-85.9000111.5V494 V497 H498 V501 L509 M551 P555 F570 V572V494-F558 HydrophobicContact CG1-CD2 3.68Å; V494-F558 HydrophobicContact CG1-CE2 3.96Å; V497-F558 HydrophobicContact CG1-CZ 4.41Å; H498-F558 HydrophobicContact CB-CD2 4.09Å; H498-F558 HydrophobicContact CB-CE1 4.32Å; H498-F558 HydrophobicContact CB-CE2 3.6Å; H498-F558 HydrophobicContact CB-CZ 3.74Å; V501-F558 HydrophobicContact CB-CE1 4.48Å; V501-F558 HydrophobicContact CB-CZ 4.41Å; V501-F558 HydrophobicContact CG1-CE1 4.49Å; V501-F558 HydrophobicContact CG2-CZ 4.44Å; L509-F558 HydrophobicContact CD2-CE1 3.98Å; L509-F558 HydrophobicContact CD2-CZ 4.03Å; M551-F558 HydrophobicContact CE-CB 4.36Å; M551-F558 HydrophobicContact CE-CD1 4.39Å; M551-F558 HydrophobicContact CE-CD2 3.49Å; M551-F558 VanDerWaalsContact CE-CD2 3.49Å; M551-F558 HydrophobicContact CE-CE2 3.69Å; M551-F558 HydrophobicContact CE-CG 3.86Å; M551-F558 HydrophobicContact CE-CZ 4.23Å; M551-F558 HydrophobicContact SD-CD2 4.26Å; M551-F558 HydrophobicContact SD-CE2 4.1Å; P555-F558 CarbonylContact C-O 3.33Å; P555-F558 HydrophobicContact CB-CB 4.34Å; P555-F558 WeakPolarHBondContact O-CA 3.46Å; P555-F558 WeakPolarHBondContact O-CB 3.46Å; P555-F558 PolarHBondContact O-N 3.38Å; F558-F570 HydrophobicContact CB-CB 4.05Å; F558-F570 HydrophobicContact CB-CD1 4.23Å; F558-F570 HydrophobicContact CB-CG 4.42Å; F558-F570 HydrophobicContact CD1-CB 4.18Å; F558-F570 HydrophobicContact CG-CB 4.39Å; F558-V572 HydrophobicContact CD1-CG2 4.43Å; F558-V572 HydrophobicContact CE1-CB 4.42Å; F558-V572 HydrophobicContact CE1-CG1 4.16Å; F558-V572 HydrophobicContact CE1-CG2 4.13Å
559K96.5Very high94.4Very high146 Ų14650.9 Ų50.964%0.63528%0.279SS*.EExtended strand (participates in β ladder)trans-114.1113.7172.7-175.7178.1-179177.20110.8V561 F570 K571K559-V561 PolarHBondContact O-N 2.84Å; K559-F570 CarbonylContact O-C 3.57Å; K559-F570 WeakPolarHBondContact O-CA 3.35Å; K559-K571 HydrophobicContact CB-CB 4.41Å; K559-K571 PolarHBondContact N-O 2.85Å; K559-K571 PolarHBondContact O-N 3.45Å
560Q96.4Very high94.6Very high59 Ų5949.2 Ų49.228%0.27627%0.267SS..EExtended strand (participates in β ladder)trans-64.8128.9174.3-165178.4-62.500110.5P555 F570P555-Q560 HydrophobicContact CG-CB 4.5Å; Q560-F570 HydrophobicContact CB-CD1 3.81Å; Q560-F570 HydrophobicContact CB-CE1 3.72Å; Q560-F570 HydrophobicContact CG-CD1 4.11Å; Q560-F570 HydrophobicContact CG-CE1 3.78Å; Q560-F570 HydrophobicContact CG-CZ 4.39Å
561V96.8Very high94.7Very high53 Ų5351.8 Ų51.832%0.32127%0.274SS..EExtended strand (participates in β ladder)trans-124-16.8-176.9-69.30000113.5W438 Y508 K559 V569 K571W438-V561 HydrophobicContact CH2-CB 4.21Å; W438-V561 HydrophobicContact CH2-CG2 3.63Å; W438-V561 HydrophobicContact CZ2-CB 4.18Å; W438-V561 HydrophobicContact CZ2-CG2 4.08Å; Y508-V561 HydrophobicContact CD1-CG2 4.14Å; Y508-V561 HydrophobicContact CE1-CG2 4.1Å; K559-V561 PolarHBondContact O-N 2.84Å; V561-V569 HydrophobicContact CG2-CB 4.09Å; V561-V569 HydrophobicContact CG2-CG1 3.97Å; V561-V569 VanDerWaalsContact CG2-O 3.31Å; V561-V569 WeakPolarHBondContact CG2-O 3.35Å; V561-V569 PolarHBondContact N-O 3.11Å; V561-K571 HydrophobicContact CG1-CB 4.03Å
562Y96.4Very high94.8Very high29 Ų2953.7 Ų53.711%0.11429%0.286CS..EExtended strand (participates in β ladder)trans-149145.7174.3175-90.1000110.3L435 W438 F567 M568 V569L435-Y562 HydrophobicContact CB-CE1 4.31Å; L435-Y562 HydrophobicContact CD1-CD1 3.93Å; L435-Y562 HydrophobicContact CD1-CE1 3.79Å; W438-Y562 HydrophobicContact CB-CD2 4.08Å; W438-Y562 HydrophobicContact CB-CE2 3.94Å; W438-Y562 AromaticContact CD1-CD2 3.44Å; W438-Y562 VanDerWaalsContact CD1-CD2 3.44Å; W438-Y562 AromaticContact CD1-CE2 3.94Å; W438-Y562 AromaticContact CD2-CD2 3.71Å; W438-Y562 HydrophobicContact CD2-CD2 3.71Å; W438-Y562 HydrophobicContact CD2-CE2 4.47Å; W438-Y562 HydrophobicContact CD2-CG 4.04Å; W438-Y562 AromaticContact CE2-CD2 3.91Å; W438-Y562 HydrophobicContact CE3-CD2 4.42Å; W438-Y562 HydrophobicContact CE3-CG 4.36Å; W438-Y562 AromaticContact CG-CD2 3.48Å; W438-Y562 HydrophobicContact CG-CD2 3.48Å; W438-Y562 VanDerWaalsContact CG-CD2 3.48Å; W438-Y562 AromaticContact CG-CE2 3.86Å; W438-Y562 HydrophobicContact CG-CE2 3.86Å; W438-Y562 HydrophobicContact CG-CG 4.27Å; W438-Y562 AromaticContact NE1-CD2 3.7Å; Y562-F567 HydrophobicContact CE1-CB 4.41Å; Y562-M568 WeakPolarHBondContact O-CA 3.37Å; Y562-V569 HydrophobicContact CD1-CG2 3.85Å; Y562-V569 HydrophobicContact CG-CG2 4.21Å; Y562-V569 PolarHBondContact N-O 3.3Å; Y562-V569 PolarHBondContact O-N 3.37Å
563Q93.4Very high94.9Very high106 Ų10653.9 Ų53.950%0.49529%0.289SS..EExtended strand (participates in β ladder)trans-147.9133.4173.1180174.75.400110M568Q563-M568 HydrophobicContact CG-CG 4.31Å
564S90.8Very high95.1Very high17 Ų1746.9 Ų46.912%0.11926%0.261CS..  trans-125.2-177.1166.478.20000110.2V566 F567S564-V566 PolarHBondContact O-N 3.35Å; S564-V566 PolarHBondContact OG-N 2.94Å; S564-F567 PolarHBondContact N-O 3.02Å; S564-F567 PolarHBondContact OG-N 3.27Å
565G84.2Confident95.1Very high46 Ų4643.9 Ų43.947%0.47425%0.246SC..SBendtrans-58.8-25.8174.500000113.7R513R513-G565 PolarHBondContact NH1-O 3.19Å
566V92.2Very high95.1Very high25 Ų2544.8 Ų44.815%0.15225%0.249CC..SBendtrans-118.8-37.8-174174.70000112.7K431 E512 R513 S564K431-V566 HydrophobicContact CD-CB 4.08Å; K431-V566 HydrophobicContact CD-CG2 3.43Å; K431-V566 VanDerWaalsContact CD-CG2 3.43Å; E512-V566 WeakPolarHBondContact CA-O 3.3Å; R513-V566 WeakPolarHBondContact CB-O 3.35Å; R513-V566 WeakPolarHBondContact CG-O 3.45Å; R513-V566 PolarHBondContact N-O 3.19Å; S564-V566 PolarHBondContact O-N 3.35Å; S564-V566 PolarHBondContact OG-N 2.94Å
567F96.1Very high95.1Very high8 Ų843.9 Ų43.94%0.03524%0.235CC..EExtended strand (participates in β ladder)trans-113.2148.6-172.2-58.9-80000112.1K431 Q432 L435 I455 I510 E512 Y562 S564K431-F567 HydrophobicContact CB-CD2 4.49Å; K431-F567 HydrophobicContact CB-CE2 4.31Å; Q432-F567 HydrophobicContact CB-CE2 4.06Å; Q432-F567 HydrophobicContact CB-CZ 4.23Å; Q432-F567 HydrophobicContact CG-CZ 4.42Å; L435-F567 HydrophobicContact CB-CD2 4.37Å; L435-F567 HydrophobicContact CD1-CB 4.48Å; L435-F567 HydrophobicContact CD2-CB 3.97Å; L435-F567 HydrophobicContact CD2-CD1 3.73Å; L435-F567 HydrophobicContact CD2-CD2 4Å; L435-F567 HydrophobicContact CD2-CE1 4.17Å; L435-F567 HydrophobicContact CD2-CE2 4.44Å; L435-F567 HydrophobicContact CD2-CG 3.64Å; I455-F567 HydrophobicContact CD1-CE1 3.99Å; I455-F567 HydrophobicContact CD1-CZ 4.26Å; I455-F567 HydrophobicContact CG1-CE1 4.2Å; I510-F567 HydrophobicContact CG2-CD1 4.34Å; E512-F567 HydrophobicContact CG-CD1 3.63Å; E512-F567 HydrophobicContact CG-CE1 3.42Å; E512-F567 VanDerWaalsContact CG-CE1 3.42Å; E512-F567 HydrophobicContact CG-CZ 4.49Å; Y562-F567 HydrophobicContact CE1-CB 4.41Å; S564-F567 PolarHBondContact N-O 3.02Å; S564-F567 PolarHBondContact OG-N 3.27Å
568M96.2Very high95Very high0 Ų042.7 Ų42.70%022%0.223CC..EExtended strand (participates in β ladder)trans-129.7138.9168.2-61.1175.2-58.300108.8I510 I511 R513 Q552 Y562 Q563 F570I510-M568 WeakPolarHBondContact CA-O 3.48Å; I511-M568 HydrophobicContact CB-CE 4.16Å; I511-M568 HydrophobicContact CG2-CE 4.12Å; I511-M568 PolarHBondContact N-O 2.9Å; I511-M568 PolarHBondContact O-N 3.19Å; R513-M568 HydrophobicContact CG-CE 3.66Å; R513-M568 HydrophobicContact CG-CG 3.81Å; R513-M568 HydrophobicContact CG-SD 3.78Å; Q552-M568 HydrophobicContact CG-CE 3.56Å; Q552-M568 HydrophobicContact CG-SD 3.35Å; Q552-M568 WeakPolarHBondContact CG-SD 3.45Å; Y562-M568 WeakPolarHBondContact O-CA 3.37Å; Q563-M568 HydrophobicContact CG-CG 4.31Å; M568-F570 HydrophobicContact CB-CD2 4.38Å; M568-F570 HydrophobicContact CB-CE2 3.56Å; M568-F570 HydrophobicContact CB-CZ 3.91Å; M568-F570 HydrophobicContact CE-CE2 4.04Å; M568-F570 HydrophobicContact CE-CZ 4.13Å; M568-F570 HydrophobicContact SD-CE2 4.38Å; M568-F570 HydrophobicContact SD-CZ 4.04Å
569V97.6Very high94.9Very high0 Ų045.4 Ų45.40%024%0.237CC..EExtended strand (participates in β ladder)trans-117126.3172.1-1690000108.8L435 W438 F449 Y508 L509 I510 V561 Y562L435-V569 HydrophobicContact CD1-CG2 3.48Å; L435-V569 VanDerWaalsContact CD1-CG2 3.48Å; W438-V569 HydrophobicContact CH2-CB 4.45Å; W438-V569 HydrophobicContact CH2-CG1 4.32Å; W438-V569 HydrophobicContact CZ3-CB 4.22Å; W438-V569 HydrophobicContact CZ3-CG1 4.06Å; W438-V569 HydrophobicContact CZ3-CG2 4.16Å; F449-V569 HydrophobicContact CE1-CG1 4.38Å; Y508-V569 HydrophobicContact CD1-CG1 3.96Å; Y508-V569 HydrophobicContact CG-CG1 4.39Å; L509-V569 WeakPolarHBondContact O-CA 3.33Å; I510-V569 HydrophobicContact CG1-CG1 4.42Å; I510-V569 HydrophobicContact CG1-CG2 4.22Å; V561-V569 HydrophobicContact CG2-CB 4.09Å; V561-V569 HydrophobicContact CG2-CG1 3.97Å; V561-V569 VanDerWaalsContact CG2-O 3.31Å; V561-V569 WeakPolarHBondContact CG2-O 3.35Å; V561-V569 PolarHBondContact N-O 3.11Å; Y562-V569 HydrophobicContact CD1-CG2 3.85Å; Y562-V569 HydrophobicContact CG-CG2 4.21Å; Y562-V569 PolarHBondContact N-O 3.3Å; Y562-V569 PolarHBondContact O-N 3.37Å
570F97.8Very high94.8Very high0 Ų037.6 Ų37.60%021%0.207CC..EExtended strand (participates in β ladder)trans-110.4132.6174.4-59.9-84.9000108.7Y508 L509 I511 M551 P555 F558 K559 Q560 M568Y508-F570 CarbonylContact C-O 3.59Å; Y508-F570 VanDerWaalsContact CA-O 3.26Å; Y508-F570 WeakPolarHBondContact CA-O 3.48Å; L509-F570 PolarHBondContact N-O 3.37Å; L509-F570 PolarHBondContact O-N 2.78Å; I511-F570 HydrophobicContact CB-CE2 4.47Å; I511-F570 HydrophobicContact CD1-CD2 4.04Å; I511-F570 HydrophobicContact CD1-CE2 3.82Å; I511-F570 HydrophobicContact CG1-CD2 4.23Å; I511-F570 HydrophobicContact CG1-CE2 4.15Å; M551-F570 HydrophobicContact CB-CE1 4.48Å; M551-F570 HydrophobicContact CB-CZ 4.25Å; M551-F570 HydrophobicContact CE-CD1 4.19Å; M551-F570 HydrophobicContact CE-CD2 3.8Å; M551-F570 HydrophobicContact CE-CE1 4.39Å; M551-F570 HydrophobicContact CE-CE2 4Å; M551-F570 HydrophobicContact CE-CG 3.9Å; M551-F570 HydrophobicContact CE-CZ 4.3Å; P555-F570 HydrophobicContact CB-CD1 3.87Å; P555-F570 HydrophobicContact CB-CE1 3.7Å; F558-F570 HydrophobicContact CB-CB 4.05Å; F558-F570 HydrophobicContact CB-CD1 4.23Å; F558-F570 HydrophobicContact CB-CG 4.42Å; F558-F570 HydrophobicContact CD1-CB 4.18Å; F558-F570 HydrophobicContact CG-CB 4.39Å; K559-F570 CarbonylContact O-C 3.57Å; K559-F570 WeakPolarHBondContact O-CA 3.35Å; Q560-F570 HydrophobicContact CB-CD1 3.81Å; Q560-F570 HydrophobicContact CB-CE1 3.72Å; Q560-F570 HydrophobicContact CG-CD1 4.11Å; Q560-F570 HydrophobicContact CG-CE1 3.78Å; Q560-F570 HydrophobicContact CG-CZ 4.39Å; M568-F570 HydrophobicContact CB-CD2 4.38Å; M568-F570 HydrophobicContact CB-CE2 3.56Å; M568-F570 HydrophobicContact CB-CZ 3.91Å; M568-F570 HydrophobicContact CE-CE2 4.04Å; M568-F570 HydrophobicContact CE-CZ 4.13Å; M568-F570 HydrophobicContact SD-CE2 4.38Å; M568-F570 HydrophobicContact SD-CZ 4.04Å
571K97.6Very high94.6Very high106 Ų10635.8 Ų35.846%0.46120%0.201SC..EExtended strand (participates in β ladder)trans-73.1127.3161.8-171172.7-178176.20107.3Y508 K559 V561Y508-K571 HydrophobicContact CD1-CB 4.26Å; Y508-K571 HydrophobicContact CE1-CB 4.16Å; Y508-K571 HydrophobicContact CE1-CG 4.23Å; K559-K571 HydrophobicContact CB-CB 4.41Å; K559-K571 PolarHBondContact N-O 2.85Å; K559-K571 PolarHBondContact O-N 3.45Å; V561-K571 HydrophobicContact CG1-CB 4.03Å
572V96.3Very high94.4Very high40 Ų4034.3 Ų34.324%0.24219%0.19CC..  trans-69.80176.7-173.50000108.4H498 V501 A502 A506 H507 L509 F558H498-V572 PolarHBondContact CD2-OXT 2.83Å; H498-V572 PolarHBondContact NE2-OXT 2.82Å; V501-V572 HydrophobicContact CG1-CG1 4.16Å; V501-V572 HydrophobicContact CG1-CG2 3.77Å; A502-V572 HydrophobicContact CB-CG1 3.85Å; A506-V572 HydrophobicContact CB-CG2 4.25Å; A506-V572 WeakPolarHBondContact O-CB 3.3Å; H507-V572 PolarHBondContact O-N 3.2Å; L509-V572 HydrophobicContact CB-CG2 4.19Å; F558-V572 HydrophobicContact CD1-CG2 4.43Å; F558-V572 HydrophobicContact CE1-CB 4.42Å; F558-V572 HydrophobicContact CE1-CG1 4.16Å; F558-V572 HydrophobicContact CE1-CG2 4.13Å

Retrieved 572 of 572 residues in 451.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).