A0A3Q0KD79_SCHMA Loading...

Trimeric intracellular cation channel type B

AlphaFold DB , UniProt , Accession A0A3Q0KD79, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 339 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
1M61.4Low84.7Confident163 Ų16380.5 Ų80.580%0.80343%0.432SS*.  0129.20-173167.5164.300106.5I5 I6M1-I5 HydrophobicContact CE-CB 4.36Å; M1-I5 HydrophobicContact CE-CG2 3.67Å; M1-I6 HydrophobicContact CB-CD1 4.31Å; M1-I6 HydrophobicContact CB-CG1 4.45Å; M1-I6 HydrophobicContact CE-CG1 3.78Å; M1-I6 HydrophobicContact CG-CD1 4.31Å; M1-I6 HydrophobicContact CG-CG1 3.9Å; M1-I6 HydrophobicContact SD-CD1 4.48Å; M1-I6 HydrophobicContact SD-CG1 3.94Å
2N76.5Confident85.1Confident106 Ų10680.3 Ų80.357%0.56744%0.442SS*.  trans-61.4133.6-176.5-64.2-23.2000109.1I4 I5 I6N2-I4 PolarHBondContact O-N 3.47Å; N2-I5 HydrophobicContact CB-CD1 3.83Å; N2-I5 HydrophobicContact CB-CG1 3.98Å; N2-I5 WeakPolarHBondContact O-CB 3.43Å; N2-I5 PolarHBondContact O-N 3.2Å; N2-I6 PolarHBondContact O-N 3.32Å
3P81.7Confident85.3Confident90 Ų9078.2 Ų78.258%0.58443%0.429SS*.Hα-helixtrans-55.1-37.7-178.820.4-31.7000111.7I5 I6 D7P3-I5 VanDerWaalsContact C-N 3.28Å; P3-I5 PolarHBondContact O-N 3.49Å; P3-I6 WeakPolarHBondContact O-CA 3.44Å; P3-I6 WeakPolarHBondContact O-CB 3.43Å; P3-I6 PolarHBondContact O-N 3.48Å; P3-D7 PolarHBondContact O-N 3.24Å
4I85.7Confident85.4Confident117 Ų11776.1 Ų76.160%0.641%0.414SS*.Hα-helixtrans-54.7-41.7174.7-58.8166.6000112.1N2 I6 D7 D8N2-I4 PolarHBondContact O-N 3.47Å; I4-I6 VanDerWaalsContact C-N 3.32Å; I4-I6 PolarHBondContact O-N 2.95Å; I4-D7 PolarHBondContact O-N 2.68Å; I4-D8 VanDerWaalsContact O-CG 3.32Å; I4-D8 PolarHBondContact O-N 3.06Å
5I89.1Confident85.6Confident77 Ų7781.5 Ų81.540%0.39543%0.432SS..Hα-helixtrans-68.6-37.2179.2-60169.1000110.2M1 N2 P3 D7 V9M1-I5 HydrophobicContact CE-CB 4.36Å; M1-I5 HydrophobicContact CE-CG2 3.67Å; N2-I5 HydrophobicContact CB-CD1 3.83Å; N2-I5 HydrophobicContact CB-CG1 3.98Å; N2-I5 WeakPolarHBondContact O-CB 3.43Å; N2-I5 PolarHBondContact O-N 3.2Å; P3-I5 VanDerWaalsContact C-N 3.28Å; P3-I5 PolarHBondContact O-N 3.49Å; I5-D7 VanDerWaalsContact C-N 3.31Å; I5-V9 HydrophobicContact CG2-CG2 4.33Å; I5-V9 WeakPolarHBondContact O-CB 3.28Å; I5-V9 WeakPolarHBondContact O-CG2 3.46Å; I5-V9 PolarHBondContact O-N 3.22Å
6I88.6Confident85.6Confident60 Ų6080.3 Ų80.331%0.30843%0.425SS..Hα-helixtrans-65.2-41.6177.2-61.2173000109.6M1 N2 P3 I4 V9 A10M1-I6 HydrophobicContact CB-CD1 4.31Å; M1-I6 HydrophobicContact CB-CG1 4.45Å; M1-I6 HydrophobicContact CE-CG1 3.78Å; M1-I6 HydrophobicContact CG-CD1 4.31Å; M1-I6 HydrophobicContact CG-CG1 3.9Å; M1-I6 HydrophobicContact SD-CD1 4.48Å; M1-I6 HydrophobicContact SD-CG1 3.94Å; N2-I6 PolarHBondContact O-N 3.32Å; P3-I6 WeakPolarHBondContact O-CA 3.44Å; P3-I6 WeakPolarHBondContact O-CB 3.43Å; P3-I6 PolarHBondContact O-N 3.48Å; I4-I6 VanDerWaalsContact C-N 3.32Å; I4-I6 PolarHBondContact O-N 2.95Å; I6-V9 PolarHBondContact O-N 3.31Å; I6-A10 VanDerWaalsContact O-CB 3.26Å; I6-A10 WeakPolarHBondContact O-CB 3.18Å; I6-A10 PolarHBondContact O-N 2.84Å
7D88.6Confident85.5Confident60 Ų6085.1 Ų85.132%0.32144%0.436SS..Hα-helixtrans-64.3-47.7177.2-67.6-27.9000111.9P3 I4 I5 V9 A10 D11 Q211P3-D7 PolarHBondContact O-N 3.24Å; I4-D7 PolarHBondContact O-N 2.68Å; I5-D7 VanDerWaalsContact C-N 3.31Å; D7-V9 VanDerWaalsContact C-N 3.29Å; D7-V9 PolarHBondContact O-N 3.48Å; D7-A10 WeakPolarHBondContact O-CB 3.23Å; D7-A10 PolarHBondContact O-N 3.46Å; D7-A10 VanDerWaalsContact O-N 3.14Å; D7-D11 WeakPolarHBondContact O-CB 3.35Å; D7-D11 PolarHBondContact O-N 3.17Å; D7-Q211 PolarHBondContact OD1-NE2 3.32Å
8D90.7Very high85.2Confident97 Ų9780.7 Ų80.752%0.51941%0.413SS..Hα-helixtrans-60-41177.2-73.6-22.2000111.8I4 S12I4-D8 VanDerWaalsContact O-CG 3.32Å; I4-D8 PolarHBondContact O-N 3.06Å; D8-S12 VanDerWaalsContact O-CB 3.27Å; D8-S12 WeakPolarHBondContact O-CB 3.44Å; D8-S12 PolarHBondContact O-N 3.36Å; D8-S12 PolarHBondContact O-OG 2.97Å
9V89.9Confident84.9Confident59 Ų5979.3 Ų79.336%0.35840%0.403SS..Hα-helixtrans-67.7-42.4176.31720000110.7I5 I6 D7 S12 L13 L214I5-V9 HydrophobicContact CG2-CG2 4.33Å; I5-V9 WeakPolarHBondContact O-CB 3.28Å; I5-V9 WeakPolarHBondContact O-CG2 3.46Å; I5-V9 PolarHBondContact O-N 3.22Å; I6-V9 PolarHBondContact O-N 3.31Å; D7-V9 VanDerWaalsContact C-N 3.29Å; D7-V9 PolarHBondContact O-N 3.48Å; V9-S12 PolarHBondContact O-N 3.3Å; V9-L13 HydrophobicContact CG1-CD1 3.85Å; V9-L13 HydrophobicContact CG1-CG 4.31Å; V9-L13 WeakPolarHBondContact O-CB 3.42Å; V9-L13 VanDerWaalsContact O-CG 3.29Å; V9-L13 WeakPolarHBondContact O-CG 3.38Å; V9-L13 PolarHBondContact O-N 2.97Å; V9-L214 HydrophobicContact CB-CD1 4.38Å; V9-L214 HydrophobicContact CG1-CD1 3.85Å
10A90.1Very high84.9Confident0 Ų077.3 Ų77.30%040%0.396CS..Hα-helixtrans-60.5-48.9177.500000111.3I6 D7 S12 L13 F14 N210 L214I6-A10 VanDerWaalsContact O-CB 3.26Å; I6-A10 WeakPolarHBondContact O-CB 3.18Å; I6-A10 PolarHBondContact O-N 2.84Å; D7-A10 WeakPolarHBondContact O-CB 3.23Å; D7-A10 PolarHBondContact O-N 3.46Å; D7-A10 VanDerWaalsContact O-N 3.14Å; A10-S12 VanDerWaalsContact C-N 3.34Å; A10-S12 PolarHBondContact O-N 3.47Å; A10-L13 PolarHBondContact O-N 3.27Å; A10-F14 VanDerWaalsContact O-CB 3.26Å; A10-F14 WeakPolarHBondContact O-CB 3.46Å; A10-F14 PolarHBondContact O-N 3.3Å; A10-N210 HydrophobicContact CB-CB 4.04Å; A10-L214 HydrophobicContact CB-CB 4.18Å; A10-L214 HydrophobicContact CB-CD1 3.8Å
11D89.6Confident85.1Confident56 Ų5681.7 Ų81.730%0.29941%0.408SS..Hα-helixtrans-60.9-43.3177.6-8519.7000112.1D7 F14 K15 N210D7-D11 WeakPolarHBondContact O-CB 3.35Å; D7-D11 PolarHBondContact O-N 3.17Å; D11-F14 PolarHBondContact O-N 2.97Å; D11-K15 WeakPolarHBondContact O-CB 3.38Å; D11-K15 WeakPolarHBondContact O-CG 3.17Å; D11-K15 PolarHBondContact O-N 2.96Å; D11-K15 VanDerWaalsContact O-N 3.07Å; D11-N210 PolarHBondContact OD1-ND2 3.44Å
12S89.5Confident86.6Confident79 Ų7975 Ų7555%0.55238%0.375SS*.Hα-helixtrans-63.6-44.8178-63.20000111.6D8 V9 A10 L16D8-S12 VanDerWaalsContact O-CB 3.27Å; D8-S12 WeakPolarHBondContact O-CB 3.44Å; D8-S12 PolarHBondContact O-N 3.36Å; D8-S12 PolarHBondContact O-OG 2.97Å; V9-S12 PolarHBondContact O-N 3.3Å; A10-S12 VanDerWaalsContact C-N 3.34Å; A10-S12 PolarHBondContact O-N 3.47Å; S12-L16 PolarHBondContact O-N 2.88Å
13L87.7Confident87.4Confident52 Ų5270 Ų7027%0.27235%0.348SS..Hα-helixtrans-69.7-36.1178.7-72.6176.6000112.3V9 A10 L16 F213 L214V9-L13 HydrophobicContact CG1-CD1 3.85Å; V9-L13 HydrophobicContact CG1-CG 4.31Å; V9-L13 WeakPolarHBondContact O-CB 3.42Å; V9-L13 VanDerWaalsContact O-CG 3.29Å; V9-L13 WeakPolarHBondContact O-CG 3.38Å; V9-L13 PolarHBondContact O-N 2.97Å; A10-L13 PolarHBondContact O-N 3.27Å; L13-L16 HydrophobicContact CD2-CD2 4.42Å; L13-L16 WeakPolarHBondContact O-CB 3.49Å; L13-L16 PolarHBondContact O-N 3.45Å; L13-F213 HydrophobicContact CB-CE1 4.43Å; L13-L214 HydrophobicContact CD1-CD1 4.24Å; L13-L214 HydrophobicContact CD1-CG 4.35Å
14F86.9Confident88.1Confident50 Ų5068.3 Ų68.322%0.21933%0.334CS..Hα-helixtrans-64.9-45.5178.1-171.8-100.6000111.4A10 D11 L16 K128 F131 E209 N210 F213A10-F14 VanDerWaalsContact O-CB 3.26Å; A10-F14 WeakPolarHBondContact O-CB 3.46Å; A10-F14 PolarHBondContact O-N 3.3Å; D11-F14 PolarHBondContact O-N 2.97Å; F14-L16 PolarHBondContact O-N 3.49Å; F14-K128 PolarHBondContact O-NZ 3.44Å; F14-F131 HydrophobicContact CE2-CD1 4.02Å; F14-F131 AromaticContact CE2-CE1 3.54Å; F14-F131 HydrophobicContact CE2-CE1 3.54Å; F14-F131 HydrophobicContact CE2-CE2 4.14Å; F14-F131 AromaticContact CE2-CZ 3.65Å; F14-F131 HydrophobicContact CE2-CZ 3.65Å; F14-F131 HydrophobicContact CZ-CD1 4.43Å; F14-F131 AromaticContact CZ-CE1 3.55Å; F14-F131 HydrophobicContact CZ-CE1 3.55Å; F14-F131 HydrophobicContact CZ-CE2 4.42Å; F14-F131 AromaticContact CZ-CZ 3.57Å; F14-F131 HydrophobicContact CZ-CZ 3.57Å; F14-E209 WeakPolarHBondContact CZ-OE1 3.43Å; F14-N210 HydrophobicContact CB-CB 4.43Å; F14-N210 WeakPolarHBondContact CD1-OD1 3.35Å; F14-N210 WeakPolarHBondContact CG-OD1 3.17Å; F14-F213 HydrophobicContact CB-CD1 4.23Å; F14-F213 HydrophobicContact CD2-CB 4.02Å; F14-F213 AromaticContact CD2-CD1 3.88Å; F14-F213 HydrophobicContact CD2-CD1 3.88Å; F14-F213 AromaticContact CD2-CG 3.88Å; F14-F213 HydrophobicContact CD2-CG 3.88Å; F14-F213 HydrophobicContact CE2-CB 4.49Å
15K87.7Confident88.6Confident156 Ų15662.9 Ų62.968%0.67831%0.306SS*.Hα-helixtrans-72.7-11.2177.2-68.2170.7-173.8163.50113.6D11 R17D11-K15 WeakPolarHBondContact O-CB 3.38Å; D11-K15 WeakPolarHBondContact O-CG 3.17Å; D11-K15 PolarHBondContact O-N 2.96Å; D11-K15 VanDerWaalsContact O-N 3.07Å; K15-R17 PolarHBondContact O-N 3.06Å
16L85.8Confident88.8Confident62 Ų6259.2 Ų59.233%0.32529%0.287SS..  trans-57.9122.3-176.5-164.272.3000111.8S12 L13 F14 M18 F22 K128S12-L16 PolarHBondContact O-N 2.88Å; L13-L16 HydrophobicContact CD2-CD2 4.42Å; L13-L16 WeakPolarHBondContact O-CB 3.49Å; L13-L16 PolarHBondContact O-N 3.45Å; F14-L16 PolarHBondContact O-N 3.49Å; L16-M18 HydrophobicContact CB-CE 4.03Å; L16-M18 HydrophobicContact CD2-CE 4.07Å; L16-M18 HydrophobicContact CG-CE 4.24Å; L16-M18 VanDerWaalsContact O-CE 3.27Å; L16-M18 WeakPolarHBondContact O-CE 3.32Å; L16-F22 HydrophobicContact CD2-CE1 4.46Å; L16-F22 HydrophobicContact CD2-CE2 3.41Å; L16-F22 VanDerWaalsContact CD2-CE2 3.41Å; L16-F22 HydrophobicContact CD2-CZ 3.34Å; L16-F22 HydrophobicContact CG-CE2 4.04Å; L16-F22 HydrophobicContact CG-CZ 4.43Å; L16-K128 PolarHBondContact O-NZ 3.29Å
17R83.2Confident89.2Confident162 Ų16256.4 Ų56.461%0.61127%0.273SS*.  trans-74128.5175.1-174.2173.8156.496.9-11.2109.5K15K15-R17 PolarHBondContact O-N 3.06Å
18M81.2Confident89.5Confident6 Ų654.6 Ų54.63%0.0326%0.263CS..  trans-76.7-34.1-174.3-63.1-74.6119.400112L16 F22 V124 Q125 K128 L322L16-M18 HydrophobicContact CB-CE 4.03Å; L16-M18 HydrophobicContact CD2-CE 4.07Å; L16-M18 HydrophobicContact CG-CE 4.24Å; L16-M18 VanDerWaalsContact O-CE 3.27Å; L16-M18 WeakPolarHBondContact O-CE 3.32Å; M18-F22 HydrophobicContact CB-CB 4.15Å; M18-F22 HydrophobicContact CE-CD2 4.29Å; M18-F22 HydrophobicContact CE-CE2 4.31Å; M18-F22 VanDerWaalsContact O-CB 3.22Å; M18-F22 WeakPolarHBondContact O-CB 3.42Å; M18-F22 WeakPolarHBondContact O-CD2 3.45Å; M18-F22 PolarHBondContact O-N 3.3Å; M18-F22 HydrophobicContact SD-CB 4.08Å; M18-F22 HydrophobicContact SD-CD1 4.3Å; M18-F22 HydrophobicContact SD-CD2 4.08Å; M18-F22 HydrophobicContact SD-CG 3.88Å; M18-V124 HydrophobicContact CE-CG1 4.07Å; M18-V124 HydrophobicContact SD-CG1 4.22Å; M18-Q125 HydrophobicContact SD-CB 4.46Å; M18-Q125 HydrophobicContact SD-CG 4.36Å; M18-K128 HydrophobicContact CE-CD 3.57Å; M18-K128 HydrophobicContact CG-CD 3.61Å; M18-K128 HydrophobicContact CG-CG 4.38Å; M18-K128 HydrophobicContact SD-CB 4.19Å; M18-K128 HydrophobicContact SD-CD 3.82Å; M18-L322 HydrophobicContact CB-CD1 4.26Å; M18-L322 HydrophobicContact CG-CD1 3.89Å; M18-L322 HydrophobicContact CG-CD2 4.29Å
19Y79.3Confident89.8Confident55 Ų5550.4 Ų50.422%0.21624%0.24CC..THydrogen-bonded Turntrans-76.8138.6172.1-175.3-85.3000111.6D23 I85 R323Y19-D23 WeakPolarHBondContact CA-OD2 3.36Å; Y19-D23 WeakPolarHBondContact CB-OD2 3.43Å; Y19-I85 HydrophobicContact CE2-CG2 3.95Å; Y19-I85 VanDerWaalsContact OH-CG2 3.31Å; Y19-I85 WeakPolarHBondContact OH-CG2 3.29Å; Y19-R323 VanDerWaalsContact CG-CZ 3.48Å
20P83.8Confident90Very high39 Ų3947.6 Ų47.625%0.25322%0.223SC..THydrogen-bonded Turncis-93.2-27.41.330.9-31.7000114.6F22 D23 I24P20-F22 PolarHBondContact O-N 2.83Å; P20-D23 PolarHBondContact O-N 2.97Å; P20-I24 HydrophobicContact CB-CD1 3.95Å; P20-I24 WeakPolarHBondContact O-CB 3.39Å; P20-I24 VanDerWaalsContact O-CG1 3.26Å; P20-I24 WeakPolarHBondContact O-CG1 3.29Å; P20-I24 PolarHBondContact O-N 2.96Å
21Y90.6Very high90.2Very high170 Ų17047.6 Ų47.667%0.66722%0.223SC*.Hα-helixtrans-65.5-43.8-162.2-56.4-72.6000113.8A25Y21-A25 WeakPolarHBondContact O-CB 3.48Å; Y21-A25 PolarHBondContact O-N 3.12Å
22F93.2Very high90.4Very high22 Ų2245.5 Ų45.510%0.09621%0.212CC..Hα-helixtrans-70.6-37.5-178.9-60.9-86.1000111.2L16 M18 P20 A25 N26 L121 V124 Q125L16-F22 HydrophobicContact CD2-CE1 4.46Å; L16-F22 HydrophobicContact CD2-CE2 3.41Å; L16-F22 VanDerWaalsContact CD2-CE2 3.41Å; L16-F22 HydrophobicContact CD2-CZ 3.34Å; L16-F22 HydrophobicContact CG-CE2 4.04Å; L16-F22 HydrophobicContact CG-CZ 4.43Å; M18-F22 HydrophobicContact CB-CB 4.15Å; M18-F22 HydrophobicContact CE-CD2 4.29Å; M18-F22 HydrophobicContact CE-CE2 4.31Å; M18-F22 VanDerWaalsContact O-CB 3.22Å; M18-F22 WeakPolarHBondContact O-CB 3.42Å; M18-F22 WeakPolarHBondContact O-CD2 3.45Å; M18-F22 PolarHBondContact O-N 3.3Å; M18-F22 HydrophobicContact SD-CB 4.08Å; M18-F22 HydrophobicContact SD-CD1 4.3Å; M18-F22 HydrophobicContact SD-CD2 4.08Å; M18-F22 HydrophobicContact SD-CG 3.88Å; P20-F22 PolarHBondContact O-N 2.83Å; F22-A25 PolarHBondContact O-N 3.48Å; F22-N26 PolarHBondContact O-N 3.25Å; F22-N26 VanDerWaalsContact O-N 3.12Å; F22-L121 HydrophobicContact CD1-CB 4.01Å; F22-L121 HydrophobicContact CD1-CD2 3.94Å; F22-L121 VanDerWaalsContact CD1-O 3.32Å; F22-L121 WeakPolarHBondContact CD1-O 3.44Å; F22-L121 HydrophobicContact CE1-CB 4.35Å; F22-L121 HydrophobicContact CE1-CD2 3.5Å; F22-L121 VanDerWaalsContact CE1-CD2 3.5Å; F22-L121 HydrophobicContact CZ-CD2 4.08Å; F22-V124 HydrophobicContact CD1-CB 3.94Å; F22-V124 HydrophobicContact CD1-CG1 3.61Å; F22-V124 HydrophobicContact CE1-CB 3.67Å; F22-V124 HydrophobicContact CE1-CG1 3.22Å; F22-V124 HydrophobicContact CE1-CG2 4.27Å; F22-V124 HydrophobicContact CZ-CG1 3.94Å; F22-Q125 HydrophobicContact CB-CB 4.09Å; F22-Q125 HydrophobicContact CB-CG 4.11Å
23D93.2Very high90.5Very high0 Ų041.8 Ų41.80%019%0.186CC..Hα-helixtrans-67.3-44.7177.3-66.2-19000111.4Y19 P20 A25 N26 Y27 Q125Y19-D23 WeakPolarHBondContact CA-OD2 3.36Å; Y19-D23 WeakPolarHBondContact CB-OD2 3.43Å; P20-D23 PolarHBondContact O-N 2.97Å; D23-A25 PolarHBondContact O-N 2.87Å; D23-N26 CarbonylContact O-C 3.54Å; D23-N26 WeakPolarHBondContact O-CB 3.3Å; D23-N26 PolarHBondContact O-N 3.04Å; D23-N26 PolarHBondContact O-ND2 3.03Å; D23-Y27 HydrophobicContact CB-CD2 4.48Å; D23-Y27 HydrophobicContact CB-CE2 3.83Å; D23-Y27 WeakPolarHBondContact O-CD2 3.49Å; D23-Y27 PolarHBondContact O-N 3.05Å; D23-Q125 PolarHBondContact OD1-NE2 3.4Å
24I95.7Very high90.7Very high56 Ų5639.3 Ų39.329%0.28717%0.173SC..Hα-helixtrans-59.7-46.4175.2-70.7168.1000110.9P20 N26 Y27 I28 T89 V93P20-I24 HydrophobicContact CB-CD1 3.95Å; P20-I24 WeakPolarHBondContact O-CB 3.39Å; P20-I24 VanDerWaalsContact O-CG1 3.26Å; P20-I24 WeakPolarHBondContact O-CG1 3.29Å; P20-I24 PolarHBondContact O-N 2.96Å; I24-N26 PolarHBondContact O-N 2.99Å; I24-Y27 PolarHBondContact O-N 3.4Å; I24-Y27 VanDerWaalsContact O-N 3.07Å; I24-I28 HydrophobicContact CG2-CD1 3.77Å; I24-I28 HydrophobicContact CG2-CG1 4.23Å; I24-I28 VanDerWaalsContact O-CG1 3.3Å; I24-I28 WeakPolarHBondContact O-CG1 3.43Å; I24-I28 PolarHBondContact O-N 2.82Å; I24-T89 HydrophobicContact CD1-CG2 4.42Å; I24-T89 HydrophobicContact CG1-CG2 3.77Å; I24-V93 HydrophobicContact CG2-CG2 4.26Å
25A95.6Very high90.9Very high3 Ų337 Ų373%0.02516%0.163CC..Hα-helixtrans-57.5-42.2178.400000111.5Y21 F22 D23 L29 V118 L121Y21-A25 WeakPolarHBondContact O-CB 3.48Å; Y21-A25 PolarHBondContact O-N 3.12Å; F22-A25 PolarHBondContact O-N 3.48Å; D23-A25 PolarHBondContact O-N 2.87Å; A25-L29 WeakPolarHBondContact O-CB 3.49Å; A25-L29 WeakPolarHBondContact O-CG 3.15Å; A25-L29 PolarHBondContact O-N 3.34Å; A25-V118 HydrophobicContact CB-CG1 3.89Å; A25-V118 WeakPolarHBondContact O-CG1 3.39Å; A25-L121 HydrophobicContact CB-CB 3.67Å; A25-L121 HydrophobicContact CB-CD1 4.07Å
26N93.3Very high90.9Very high0 Ų032.5 Ų32.50%014%0.144CC..Hα-helixtrans-60.5-55.6169.9134.556.7000111.5F22 D23 I24 I28 L29 M30 K122 S319 S320F22-N26 PolarHBondContact O-N 3.25Å; F22-N26 VanDerWaalsContact O-N 3.12Å; D23-N26 CarbonylContact O-C 3.54Å; D23-N26 WeakPolarHBondContact O-CB 3.3Å; D23-N26 PolarHBondContact O-N 3.04Å; D23-N26 PolarHBondContact O-ND2 3.03Å; I24-N26 PolarHBondContact O-N 2.99Å; N26-I28 PolarHBondContact O-N 2.8Å; N26-I28 VanDerWaalsContact O-N 3.13Å; N26-L29 CarbonylContact O-C 3.32Å; N26-L29 WeakPolarHBondContact O-CA 3.45Å; N26-L29 VanDerWaalsContact O-CB 3.32Å; N26-L29 WeakPolarHBondContact O-CB 3.48Å; N26-L29 PolarHBondContact O-N 3.17Å; N26-M30 HydrophobicContact CB-CE 4.05Å; N26-M30 WeakPolarHBondContact O-CE 3.4Å; N26-M30 VanDerWaalsContact O-CG 3.32Å; N26-M30 WeakPolarHBondContact O-CG 3.48Å; N26-M30 PolarHBondContact O-N 3.11Å; N26-M30 WeakPolarHBondContact OD1-CE 3.25Å; N26-M30 WeakPolarHBondContact OD1-CG 3.4Å; N26-M30 PolarHBondContact OD1-SD 2.77Å; N26-K122 HydrophobicContact CB-CG 4.43Å; N26-S319 WeakPolarHBondContact CB-O 3.47Å; N26-S319 PolarHBondContact OD1-O 3.38Å; N26-S320 WeakPolarHBondContact ND2-CA 3.45Å; N26-S320 WeakPolarHBondContact OD1-CA 3.37Å; N26-S320 WeakPolarHBondContact OD1-CB 3.34Å; N26-S320 PolarHBondContact OD1-N 3.21Å
27Y96.7Very high90.9Very high0 Ų031 Ų310%014%0.137CC..Hα-helixtrans-58.8-35.1-176-58.2-38.2000112.8D23 I24 L29 M30 S31 C62 F63 T89 A90 V93D23-Y27 HydrophobicContact CB-CD2 4.48Å; D23-Y27 HydrophobicContact CB-CE2 3.83Å; D23-Y27 WeakPolarHBondContact O-CD2 3.49Å; D23-Y27 PolarHBondContact O-N 3.05Å; I24-Y27 PolarHBondContact O-N 3.4Å; I24-Y27 VanDerWaalsContact O-N 3.07Å; Y27-L29 VanDerWaalsContact C-N 3.35Å; Y27-M30 PolarHBondContact O-N 3.42Å; Y27-S31 VanDerWaalsContact O-CB 3.29Å; Y27-S31 WeakPolarHBondContact O-CB 3.48Å; Y27-S31 PolarHBondContact O-N 2.85Å; Y27-S31 PolarHBondContact O-OG 3.39Å; Y27-C62 HydrophobicContact CD1-CB 3.78Å; Y27-C62 VanDerWaalsContact CD1-SG 3.53Å; Y27-C62 HydrophobicContact CE1-CB 3.94Å; Y27-F63 HydrophobicContact CE1-CZ 4.41Å; Y27-T89 HydrophobicContact CD2-CG2 4.06Å; Y27-T89 HydrophobicContact CE2-CG2 4.09Å; Y27-A90 HydrophobicContact CD1-CB 3.81Å; Y27-A90 HydrophobicContact CD2-CB 4.01Å; Y27-A90 HydrophobicContact CE1-CB 3.87Å; Y27-A90 HydrophobicContact CE2-CB 4.09Å; Y27-A90 HydrophobicContact CG-CB 3.87Å; Y27-V93 VanDerWaalsContact C-CG1 3.48Å
28I96.5Very high90.7Very high22 Ų2224 Ų2411%0.11311%0.112CC..Hα-helixtrans-57.8-52.3173-73.7169.8000109.1I24 N26 M30 S31 I32 V93 I97 C109 V118I24-I28 HydrophobicContact CG2-CD1 3.77Å; I24-I28 HydrophobicContact CG2-CG1 4.23Å; I24-I28 VanDerWaalsContact O-CG1 3.3Å; I24-I28 WeakPolarHBondContact O-CG1 3.43Å; I24-I28 PolarHBondContact O-N 2.82Å; N26-I28 PolarHBondContact O-N 2.8Å; N26-I28 VanDerWaalsContact O-N 3.13Å; I28-M30 PolarHBondContact O-N 3.32Å; I28-S31 PolarHBondContact O-N 2.86Å; I28-I32 HydrophobicContact CG2-CD1 3.67Å; I28-I32 HydrophobicContact CG2-CG1 4.47Å; I28-I32 WeakPolarHBondContact O-CB 3.34Å; I28-I32 VanDerWaalsContact O-CG1 3.23Å; I28-I32 WeakPolarHBondContact O-CG1 3.41Å; I28-I32 PolarHBondContact O-N 3.48Å; I28-V93 HydrophobicContact CB-CG1 4.26Å; I28-V93 HydrophobicContact CG1-CG1 3.61Å; I28-V93 VanDerWaalsContact N-CG1 3.35Å; I28-I97 HydrophobicContact CG2-CD1 4.13Å; I28-C109 HydrophobicContact CG2-CB 4.13Å; I28-C109 VanDerWaalsContact CG2-SG 3.6Å; I28-V118 HydrophobicContact CB-CG1 4.44Å; I28-V118 HydrophobicContact CG2-CG1 4.19Å
29L95.4Very high89.9Confident9 Ų928.1 Ų28.15%0.04714%0.139CC..Hα-helixtrans-63.1-39.1-179.3-82.4-179.3000112.5A25 N26 Y27 S33 V118 K122 N318A25-L29 WeakPolarHBondContact O-CB 3.49Å; A25-L29 WeakPolarHBondContact O-CG 3.15Å; A25-L29 PolarHBondContact O-N 3.34Å; N26-L29 CarbonylContact O-C 3.32Å; N26-L29 WeakPolarHBondContact O-CA 3.45Å; N26-L29 VanDerWaalsContact O-CB 3.32Å; N26-L29 WeakPolarHBondContact O-CB 3.48Å; N26-L29 PolarHBondContact O-N 3.17Å; Y27-L29 VanDerWaalsContact C-N 3.35Å; L29-S33 WeakPolarHBondContact O-CB 3.45Å; L29-S33 PolarHBondContact O-N 3.04Å; L29-V118 HydrophobicContact CD1-CG1 3.89Å; L29-V118 HydrophobicContact CD2-CG1 4.17Å; L29-V118 HydrophobicContact CG-CG1 3.64Å; L29-K122 HydrophobicContact CD1-CB 3.51Å; L29-K122 HydrophobicContact CD1-CD 4.29Å; L29-K122 HydrophobicContact CD1-CG 3.8Å; L29-N318 VanDerWaalsContact C-ND2 3.28Å; L29-N318 HydrophobicContact CB-CB 3.84Å; L29-N318 WeakPolarHBondContact CB-ND2 3.38Å; L29-N318 WeakPolarHBondContact CB-OD1 3.43Å; L29-N318 PolarHBondContact O-ND2 3.01Å
30M94.9Very high88.8Confident0 Ų031 Ų310%015%0.154CC..Hα-helixtrans-65.3-47.2177-52.2-43.1107.300109.8N26 Y27 I28 I32 S33 V34 C62 N318 S319N26-M30 HydrophobicContact CB-CE 4.05Å; N26-M30 WeakPolarHBondContact O-CE 3.4Å; N26-M30 VanDerWaalsContact O-CG 3.32Å; N26-M30 WeakPolarHBondContact O-CG 3.48Å; N26-M30 PolarHBondContact O-N 3.11Å; N26-M30 WeakPolarHBondContact OD1-CE 3.25Å; N26-M30 WeakPolarHBondContact OD1-CG 3.4Å; N26-M30 PolarHBondContact OD1-SD 2.77Å; Y27-M30 PolarHBondContact O-N 3.42Å; I28-M30 PolarHBondContact O-N 3.32Å; M30-I32 VanDerWaalsContact C-N 3.34Å; M30-I32 PolarHBondContact O-N 2.77Å; M30-S33 WeakPolarHBondContact O-CA 3.49Å; M30-S33 WeakPolarHBondContact O-CB 3.39Å; M30-S33 PolarHBondContact O-N 2.92Å; M30-S33 VanDerWaalsContact O-N 3.07Å; M30-V34 WeakPolarHBondContact O-CG2 3.38Å; M30-V34 PolarHBondContact O-N 2.84Å; M30-C62 WeakPolarHBondContact CB-SG 3.28Å; M30-C62 HydrophobicContact CG-CB 4.41Å; M30-C62 VanDerWaalsContact CG-SG 3.52Å; M30-N318 VanDerWaalsContact CE-CA 3.42Å; M30-N318 HydrophobicContact CE-CB 3.27Å; M30-N318 HydrophobicContact SD-CB 3.73Å; M30-S319 WeakPolarHBondContact CE-O 3.37Å; M30-S319 VanDerWaalsContact SD-C 3.58Å; M30-S319 VanDerWaalsContact SD-CA 3.54Å; M30-S319 PolarHBondContact SD-N 2.65Å
31S94.7Very high87Confident0 Ų035.1 Ų35.10%019%0.185CC..Hα-helixtrans-61.4-44.2-179.4-57.20000110.8Y27 I28 S33 V34 K35 T58 W94Y27-S31 VanDerWaalsContact O-CB 3.29Å; Y27-S31 WeakPolarHBondContact O-CB 3.48Å; Y27-S31 PolarHBondContact O-N 2.85Å; Y27-S31 PolarHBondContact O-OG 3.39Å; I28-S31 PolarHBondContact O-N 2.86Å; S31-S33 VanDerWaalsContact C-N 3.34Å; S31-S33 PolarHBondContact O-N 3.3Å; S31-V34 PolarHBondContact O-N 3.5Å; S31-K35 WeakPolarHBondContact O-CB 3.14Å; S31-K35 PolarHBondContact O-N 3.12Å; S31-T58 WeakPolarHBondContact OG-CG2 3.35Å; S31-W94 WeakPolarHBondContact OG-CA 3.36Å
32I93.7Very high85.4Confident13 Ų1329.2 Ų29.27%0.06718%0.175CC..Hα-helixtrans-60.5-44.3173.1-70170.2000110.5I28 M30 V34 K35 E36 I97 Y106 C109I28-I32 HydrophobicContact CG2-CD1 3.67Å; I28-I32 HydrophobicContact CG2-CG1 4.47Å; I28-I32 WeakPolarHBondContact O-CB 3.34Å; I28-I32 VanDerWaalsContact O-CG1 3.23Å; I28-I32 WeakPolarHBondContact O-CG1 3.41Å; I28-I32 PolarHBondContact O-N 3.48Å; M30-I32 VanDerWaalsContact C-N 3.34Å; M30-I32 PolarHBondContact O-N 2.77Å; I32-V34 PolarHBondContact O-N 3.23Å; I32-K35 WeakPolarHBondContact O-CB 3.26Å; I32-K35 PolarHBondContact O-N 2.93Å; I32-E36 HydrophobicContact CG2-CG 4.18Å; I32-E36 WeakPolarHBondContact O-CB 3.44Å; I32-E36 WeakPolarHBondContact O-CG 3.45Å; I32-E36 PolarHBondContact O-N 3.35Å; I32-I97 HydrophobicContact CD1-CD1 4.46Å; I32-I97 HydrophobicContact CG1-CD1 4.24Å; I32-I97 HydrophobicContact CG1-CG2 4.04Å; I32-Y106 HydrophobicContact CG1-CD2 4.1Å; I32-Y106 HydrophobicContact CG1-CE2 4.49Å; I32-Y106 HydrophobicContact CG2-CE2 4.19Å; I32-C109 HydrophobicContact CD1-CB 3.59Å
33S91.5Very high83.9Confident0 Ų029.1 Ų29.10%018%0.177CC..Hα-helixtrans-60.8-46.1-179.7-173.90000112L29 M30 S31 D37 S316L29-S33 WeakPolarHBondContact O-CB 3.45Å; L29-S33 PolarHBondContact O-N 3.04Å; M30-S33 WeakPolarHBondContact O-CA 3.49Å; M30-S33 WeakPolarHBondContact O-CB 3.39Å; M30-S33 PolarHBondContact O-N 2.92Å; M30-S33 VanDerWaalsContact O-N 3.07Å; S31-S33 VanDerWaalsContact C-N 3.34Å; S31-S33 PolarHBondContact O-N 3.3Å; S33-D37 WeakPolarHBondContact O-CB 3.43Å; S33-D37 PolarHBondContact O-N 3.46Å; S33-S316 PolarHBondContact OG-OG 3.08Å
34V91.7Very high82.7Confident0 Ų030.5 Ų30.50%019%0.186CC..Hα-helixtrans-67-40.2176.7178.50000110.9M30 S31 I32 E36 D37 T38 A57 M61 R170M30-V34 WeakPolarHBondContact O-CG2 3.38Å; M30-V34 PolarHBondContact O-N 2.84Å; S31-V34 PolarHBondContact O-N 3.5Å; I32-V34 PolarHBondContact O-N 3.23Å; V34-E36 PolarHBondContact O-N 2.83Å; V34-D37 PolarHBondContact O-N 3.01Å; V34-T38 PolarHBondContact O-OG1 3.11Å; V34-A57 HydrophobicContact CG1-CB 3.99Å; V34-M61 HydrophobicContact CG2-CG 4.06Å; V34-R170 PolarHBondContact O-NH1 3.44Å
35K90.6Very high81.7Confident3 Ų331.2 Ų31.21%0.01320%0.196CC..Hα-helixtrans-59.8-45.5177.8-172.4168.9175.4151.60111.3S31 I32 S43 I97 D103 Y106S31-K35 WeakPolarHBondContact O-CB 3.14Å; S31-K35 PolarHBondContact O-N 3.12Å; I32-K35 WeakPolarHBondContact O-CB 3.26Å; I32-K35 PolarHBondContact O-N 2.93Å; K35-S43 WeakPolarHBondContact CG-OG 3.46Å; K35-S43 WeakPolarHBondContact O-CB 3.32Å; K35-S43 PolarHBondContact O-OG 2.97Å; K35-I97 HydrophobicContact CD-CG2 3.91Å; K35-I97 WeakPolarHBondContact CD-O 3.23Å; K35-I97 PolarHBondContact NZ-O 3.33Å; K35-D103 IonicContact NZ-OD1 2.67Å; K35-D103 PolarHBondContact NZ-OD1 3.46Å; K35-Y106 HydrophobicContact CD-CD2 3.86Å; K35-Y106 HydrophobicContact CD-CE2 4.22Å; K35-Y106 HydrophobicContact CD-CG 4.24Å
36E88.5Confident81.1Confident61 Ų6131.6 Ų31.629%0.28520%0.197SC..Hα-helixtrans-78.4-29.8-179.6-69.6-178.7153.800113.4I32 V34 T38 Y106 K110I32-E36 HydrophobicContact CG2-CG 4.18Å; I32-E36 WeakPolarHBondContact O-CB 3.44Å; I32-E36 WeakPolarHBondContact O-CG 3.45Å; I32-E36 PolarHBondContact O-N 3.35Å; V34-E36 PolarHBondContact O-N 2.83Å; E36-T38 PolarHBondContact O-N 3Å; E36-T38 VanDerWaalsContact O-N 3.13Å; E36-Y106 HydrophobicContact CG-CE2 4.14Å; E36-Y106 PolarHBondContact OE1-OH 3.13Å; E36-K110 IonicContact OE1-NZ 2.59Å; E36-K110 PolarHBondContact OE1-NZ 3.28Å
37D85Confident80.8Confident30 Ų3031.7 Ų31.716%0.1620%0.197CC..THydrogen-bonded Turntrans-79.314.9-179.6-167.765.1000113.5S33 V34 Q166 R167 R170S33-D37 WeakPolarHBondContact O-CB 3.43Å; S33-D37 PolarHBondContact O-N 3.46Å; V34-D37 PolarHBondContact O-N 3.01Å; D37-Q166 PolarHBondContact OD2-NE2 3.38Å; D37-R167 IonicContact OD1-CZ 2.82Å; D37-R167 IonicContact OD1-NE 3.41Å; D37-R167 PolarHBondContact OD1-NE 3.39Å; D37-R167 IonicContact OD1-NH2 2.73Å; D37-R167 PolarHBondContact OD1-NH2 2.87Å; D37-R167 VanDerWaalsContact OD2-CG 3.22Å; D37-R167 WeakPolarHBondContact OD2-CG 3.04Å; D37-R167 IonicContact OD2-CZ 2.68Å; D37-R167 IonicContact OD2-NE 2.84Å; D37-R167 PolarHBondContact OD2-NE 3.29Å; D37-R167 IonicContact OD2-NH2 3.68Å; D37-R170 PolarHBondContact O-NH1 3.05Å; D37-R170 IonicContact OD2-CZ 3.85Å; D37-R170 IonicContact OD2-NH1 3.37Å; D37-R170 IonicContact OD2-NH2 2.72Å; D37-R170 PolarHBondContact OD2-NH2 3.1Å
38T78.9Confident80.4Confident14 Ų1439.6 Ų39.69%0.08623%0.227CC..  trans-100.1114.8-179-60.30000110.4V34 E36 Q40 F46 R170V34-T38 PolarHBondContact O-OG1 3.11Å; E36-T38 PolarHBondContact O-N 3Å; E36-T38 VanDerWaalsContact O-N 3.13Å; T38-Q40 VanDerWaalsContact C-N 3.31Å; T38-Q40 PolarHBondContact O-N 3.47Å; T38-F46 HydrophobicContact CG2-CB 3.31Å; T38-F46 HydrophobicContact CG2-CD1 4Å; T38-F46 HydrophobicContact CG2-CD2 4.08Å; T38-F46 HydrophobicContact CG2-CG 3.53Å; T38-R170 PolarHBondContact OG1-NH1 3.16Å; T38-R170 VanDerWaalsContact OG1-NH1 3.08Å
39P64.8Low80.1Confident93 Ų9347.7 Ų47.760%0.60426%0.256SS*.THydrogen-bonded Turntrans-67.5-21-168.4-17.626.8000115.9S41 V172P39-S41 PolarHBondContact O-N 2.76Å; P39-V172 HydrophobicContact CG-CG1 4.06Å; P39-V172 HydrophobicContact CG-CG2 4.05Å
40Q57.1Low79.8Confident115 Ų11551.5 Ų51.554%0.53727%0.274SS..THydrogen-bonded Turntrans-86.7112.3-166.7-63.2-179.3-1.600111.5T38 G42 S43T38-Q40 VanDerWaalsContact C-N 3.31Å; T38-Q40 PolarHBondContact O-N 3.47Å; Q40-G42 VanDerWaalsContact C-N 3.25Å; Q40-G42 CarbonylContact O-C 3.21Å; Q40-G42 PolarHBondContact O-N 3.26Å; Q40-S43 PolarHBondContact O-N 2.9Å
41S46.5Very low79.7Confident127 Ų12754.4 Ų54.489%0.88829%0.292SS*.THydrogen-bonded Turntrans22.249.2162.2-58.40000118.3P39P39-S41 PolarHBondContact O-N 2.76Å
42G55.5Low79.7Confident46 Ų4661 Ų6147%0.47432%0.322SS..THydrogen-bonded Turntrans91.182.4-173.400000111.5Q40 V44 S45Q40-G42 VanDerWaalsContact C-N 3.25Å; Q40-G42 CarbonylContact O-C 3.21Å; Q40-G42 PolarHBondContact O-N 3.26Å; G42-V44 PolarHBondContact O-N 2.94Å; G42-S45 WeakPolarHBondContact O-CB 3.23Å; G42-S45 PolarHBondContact O-N 2.66Å; G42-S45 PolarHBondContact O-OG 2.93Å
43S61.4Low79.6Confident20 Ų2061.5 Ų61.514%0.1433%0.326CS..THydrogen-bonded Turntrans23.9-63.1139.2174.30000118.7K35 Q40 S45 F46 S47K35-S43 WeakPolarHBondContact CG-OG 3.46Å; K35-S43 WeakPolarHBondContact O-CB 3.32Å; K35-S43 PolarHBondContact O-OG 2.97Å; Q40-S43 PolarHBondContact O-N 2.9Å; S43-S45 PolarHBondContact O-N 3.31Å; S43-F46 PolarHBondContact O-N 3.48Å; S43-F46 VanDerWaalsContact O-N 3.15Å; S43-S47 PolarHBondContact O-N 3.19Å
44V69Low79.7Confident28 Ų2861.6 Ų61.617%0.1733%0.326CS..Hα-helixtrans-56.8-33178.1-177.70000112.2G42 S47 R48 D103G42-V44 PolarHBondContact O-N 2.94Å; V44-S47 PolarHBondContact O-OG 2.99Å; V44-R48 WeakPolarHBondContact O-CB 3.46Å; V44-R48 VanDerWaalsContact O-CG 3.25Å; V44-R48 WeakPolarHBondContact O-CG 3.47Å; V44-R48 PolarHBondContact O-N 3.33Å; V44-D103 WeakPolarHBondContact CG2-OD2 3.46Å
45S74.2Confident79.9Confident72 Ų7264.3 Ų64.350%0.50334%0.337SS..Hα-helixtrans-65.6-38.9178.7-60.80000112.1G42 S43 R49G42-S45 WeakPolarHBondContact O-CB 3.23Å; G42-S45 PolarHBondContact O-N 2.66Å; G42-S45 PolarHBondContact O-OG 2.93Å; S43-S45 PolarHBondContact O-N 3.31Å; S45-R49 WeakPolarHBondContact O-CB 3.44Å; S45-R49 PolarHBondContact O-N 3.2Å; S45-R49 VanDerWaalsContact O-N 3.07Å
46F84.1Confident80.1Confident11 Ų1166.6 Ų66.65%0.04835%0.349CS..Hα-helixtrans-72.3-47.5-179.3179.4-92.1000111.9T38 S43 R48 R49 H50 C54 R170T38-F46 HydrophobicContact CG2-CB 3.31Å; T38-F46 HydrophobicContact CG2-CD1 4Å; T38-F46 HydrophobicContact CG2-CD2 4.08Å; T38-F46 HydrophobicContact CG2-CG 3.53Å; S43-F46 PolarHBondContact O-N 3.48Å; S43-F46 VanDerWaalsContact O-N 3.15Å; F46-R48 PolarHBondContact O-N 3.24Å; F46-R49 PolarHBondContact O-N 3.04Å; F46-R49 VanDerWaalsContact O-N 3.08Å; F46-H50 HydrophobicContact CE1-CB 4.38Å; F46-H50 HydrophobicContact CE2-CB 4.3Å; F46-H50 AromaticContact CE2-CD2 3.83Å; F46-H50 HydrophobicContact CZ-CB 4.08Å; F46-H50 PolarHBondContact O-N 3.12Å; F46-C54 HydrophobicContact CD1-CB 4.29Å; F46-C54 HydrophobicContact CE1-CB 4.13Å; F46-R170 HydrophobicContact CE1-CB 4.24Å; F46-R170 HydrophobicContact CE1-CG 3.77Å; F46-R170 HydrophobicContact CE2-CB 4.48Å; F46-R170 HydrophobicContact CZ-CB 3.71Å; F46-R170 HydrophobicContact CZ-CG 3.72Å
47S86.8Confident80.4Confident1 Ų163.7 Ų63.71%0.00734%0.335CS..Hα-helixtrans-61.4-31.6178.762.50000111.5S43 V44 P51 Y99S43-S47 PolarHBondContact O-N 3.19Å; V44-S47 PolarHBondContact O-OG 2.99Å; S47-P51 WeakPolarHBondContact O-CA 3.33Å; S47-P51 WeakPolarHBondContact O-CB 3.15Å; S47-Y99 VanDerWaalsContact C-OH 3.32Å; S47-Y99 PolarHBondContact O-OH 2.74Å
48R88Confident80.9Confident167 Ų16762.2 Ų62.263%0.6333%0.328SS*.Hα-helixtrans-72.7-36.1173.4-72.3176176.4-172.7-1.7113.7V44 F46 Y99V44-R48 WeakPolarHBondContact O-CB 3.46Å; V44-R48 VanDerWaalsContact O-CG 3.25Å; V44-R48 WeakPolarHBondContact O-CG 3.47Å; V44-R48 PolarHBondContact O-N 3.33Å; F46-R48 PolarHBondContact O-N 3.24Å; R48-Y99 HydrophobicContact CG-CD1 4.33Å; R48-Y99 HydrophobicContact CG-CE1 3.91Å
49R89.6Confident81.8Confident192 Ų19261.6 Ų61.673%0.72532%0.323SS*.Hα-helixtrans-80.2-34.7-178.9-164.7172.2-176.8144.40.1113S45 F46S45-R49 WeakPolarHBondContact O-CB 3.44Å; S45-R49 PolarHBondContact O-N 3.2Å; S45-R49 VanDerWaalsContact O-N 3.07Å; F46-R49 PolarHBondContact O-N 3.04Å; F46-R49 VanDerWaalsContact O-N 3.08Å
50H90.5Very high83.2Confident88 Ų8857.8 Ų57.841%0.40730%0.298SS..SBendtrans-133.763.8-177-57.8-68.6000111F46 F52 S53 C54F46-H50 HydrophobicContact CE1-CB 4.38Å; F46-H50 HydrophobicContact CE2-CB 4.3Å; F46-H50 AromaticContact CE2-CD2 3.83Å; F46-H50 HydrophobicContact CZ-CB 4.08Å; F46-H50 PolarHBondContact O-N 3.12Å; H50-F52 VanDerWaalsContact C-N 3.32Å; H50-F52 PolarHBondContact O-N 3.19Å; H50-S53 PolarHBondContact O-N 3.43Å; H50-C54 PolarHBondContact O-N 3.21Å
51P92.2Very high85Confident61 Ų6152.4 Ų52.440%0.39627%0.273SS..Hα-helixtrans-59-41.7-174.123.1-34000112.5S47 C54 W55 W94 Y99S47-P51 WeakPolarHBondContact O-CA 3.33Å; S47-P51 WeakPolarHBondContact O-CB 3.15Å; P51-C54 PolarHBondContact O-N 2.97Å; P51-W55 WeakPolarHBondContact O-CB 3.26Å; P51-W55 PolarHBondContact O-N 2.87Å; P51-W94 WeakPolarHBondContact O-CZ2 3.47Å; P51-Y99 WeakPolarHBondContact CB-OH 3.31Å
52F94Very high87.3Confident140 Ų14046.3 Ų46.361%0.61423%0.231SC*.Hα-helixtrans-65.4-43.8179.7-179.5-105000112.9H50 C54 W55 L56H50-F52 VanDerWaalsContact C-N 3.32Å; H50-F52 PolarHBondContact O-N 3.19Å; F52-C54 VanDerWaalsContact C-N 3.33Å; F52-C54 PolarHBondContact O-N 3.26Å; F52-W55 HydrophobicContact CD2-CE3 4.12Å; F52-W55 AromaticContact CE2-CE3 3.92Å; F52-W55 HydrophobicContact CE2-CE3 3.92Å; F52-W55 AromaticContact CE2-CZ3 3.93Å; F52-W55 HydrophobicContact CE2-CZ3 3.93Å; F52-W55 PolarHBondContact O-N 3.46Å; F52-L56 HydrophobicContact CE1-CD2 4.29Å; F52-L56 WeakPolarHBondContact O-CB 3.32Å; F52-L56 PolarHBondContact O-N 3.34Å
53S92.5Very high89.3Confident23 Ų2344.3 Ų44.316%0.16121%0.209CC..Hα-helixtrans-63.7-41.1176.9176.30000111.1H50 L56 A57 V169H50-S53 PolarHBondContact O-N 3.43Å; S53-L56 PolarHBondContact O-N 2.72Å; S53-A57 WeakPolarHBondContact O-CB 3.18Å; S53-A57 PolarHBondContact O-N 3.41Å; S53-V169 PolarHBondContact OG-O 3.03Å
54C92.6Very high90.9Very high1 Ų143.4 Ų43.41%0.00720%0.202CC..Hα-helixtrans-64.1-43.7174.9-1770000112.4F46 H50 P51 F52 T58 W94F46-C54 HydrophobicContact CD1-CB 4.29Å; F46-C54 HydrophobicContact CE1-CB 4.13Å; H50-C54 PolarHBondContact O-N 3.21Å; P51-C54 PolarHBondContact O-N 2.97Å; F52-C54 VanDerWaalsContact C-N 3.33Å; F52-C54 PolarHBondContact O-N 3.26Å; C54-T58 WeakPolarHBondContact O-CB 3.42Å; C54-T58 PolarHBondContact O-N 3.24Å; C54-T58 PolarHBondContact O-OG1 3.14Å; C54-W94 HydrophobicContact CB-CZ2 4.46Å; C54-W94 PolarHBondContact SG-NE1 3.29Å; C54-W94 VanDerWaalsContact SG-NE1 3.38Å
55W95.8Very high92.1Very high58 Ų5842.1 Ų42.122%0.2220%0.195CC..Hα-helixtrans-60.2-51.3174.9175.484.5000110.9P51 F52 A57 T58 M59 T91 W94P51-W55 WeakPolarHBondContact O-CB 3.26Å; P51-W55 PolarHBondContact O-N 2.87Å; F52-W55 HydrophobicContact CD2-CE3 4.12Å; F52-W55 AromaticContact CE2-CE3 3.92Å; F52-W55 HydrophobicContact CE2-CE3 3.92Å; F52-W55 AromaticContact CE2-CZ3 3.93Å; F52-W55 HydrophobicContact CE2-CZ3 3.93Å; F52-W55 PolarHBondContact O-N 3.46Å; W55-A57 PolarHBondContact O-N 2.94Å; W55-T58 CarbonylContact O-C 3.48Å; W55-T58 WeakPolarHBondContact O-CA 3.3Å; W55-T58 WeakPolarHBondContact O-CB 3.29Å; W55-T58 PolarHBondContact O-N 3.2Å; W55-M59 HydrophobicContact CD2-CG 3.87Å; W55-M59 HydrophobicContact CE3-CG 4.28Å; W55-M59 HydrophobicContact CG-CG 4.42Å; W55-M59 HydrophobicContact CH2-CG 4.04Å; W55-M59 HydrophobicContact CZ2-CG 3.62Å; W55-M59 HydrophobicContact CZ2-SD 4.31Å; W55-M59 HydrophobicContact CZ3-CG 4.34Å; W55-M59 WeakPolarHBondContact O-CG 3.1Å; W55-M59 PolarHBondContact O-N 3.39Å; W55-T91 PolarHBondContact NE1-OG1 2.96Å; W55-W94 HydrophobicContact CB-CD2 4.2Å; W55-W94 HydrophobicContact CB-CE3 4.39Å; W55-W94 HydrophobicContact CB-CH2 3.83Å; W55-W94 HydrophobicContact CB-CZ2 3.62Å; W55-W94 HydrophobicContact CB-CZ3 4.21Å; W55-W94 AromaticContact CD1-CD2 3.85Å; W55-W94 AromaticContact CD1-CE3 3.57Å; W55-W94 AromaticContact CD1-CZ3 3.81Å; W55-W94 HydrophobicContact CG-CD2 4.44Å; W55-W94 HydrophobicContact CG-CE3 4.38Å; W55-W94 HydrophobicContact CG-CH2 4.44Å; W55-W94 HydrophobicContact CG-CZ3 4.36Å
56L95.8Very high93Very high50 Ų5039.4 Ų39.426%0.26218%0.177SC..Hα-helixtrans-62-44.8-179.1-178.860.7000111.4F52 S53 T58 M59 L60 V169F52-L56 HydrophobicContact CE1-CD2 4.29Å; F52-L56 WeakPolarHBondContact O-CB 3.32Å; F52-L56 PolarHBondContact O-N 3.34Å; S53-L56 PolarHBondContact O-N 2.72Å; L56-T58 PolarHBondContact O-N 3.15Å; L56-M59 PolarHBondContact O-N 3.43Å; L56-M59 VanDerWaalsContact O-N 3.11Å; L56-L60 HydrophobicContact CD1-CG 4.49Å; L56-L60 HydrophobicContact CG-CD1 4.42Å; L56-L60 WeakPolarHBondContact O-CG 3.42Å; L56-L60 PolarHBondContact O-N 2.81Å; L56-V169 HydrophobicContact CB-CG1 4.28Å; L56-V169 HydrophobicContact CD2-CG1 3.8Å; L56-V169 HydrophobicContact CG-CG1 4.06Å
57A94.4Very high93.6Very high0 Ų039.5 Ų39.50%018%0.177CC..Hα-helixtrans-57.7-40.2173.700000111.8V34 S53 W55 M61 Q166 R170V34-A57 HydrophobicContact CG1-CB 3.99Å; S53-A57 WeakPolarHBondContact O-CB 3.18Å; S53-A57 PolarHBondContact O-N 3.41Å; W55-A57 PolarHBondContact O-N 2.94Å; A57-M61 PolarHBondContact O-N 3.23Å; A57-Q166 HydrophobicContact CB-CB 3.94Å; A57-R170 HydrophobicContact CB-CG 3.85Å
58T95.6Very high94Very high0 Ų040.7 Ų40.70%018%0.184CC..Hα-helixtrans-69.3-38.5175-53.20000111.8S31 C54 W55 L56 M61 C62 W94S31-T58 WeakPolarHBondContact OG-CG2 3.35Å; C54-T58 WeakPolarHBondContact O-CB 3.42Å; C54-T58 PolarHBondContact O-N 3.24Å; C54-T58 PolarHBondContact O-OG1 3.14Å; W55-T58 CarbonylContact O-C 3.48Å; W55-T58 WeakPolarHBondContact O-CA 3.3Å; W55-T58 WeakPolarHBondContact O-CB 3.29Å; W55-T58 PolarHBondContact O-N 3.2Å; L56-T58 PolarHBondContact O-N 3.15Å; T58-M61 CarbonylContact O-C 3.56Å; T58-M61 WeakPolarHBondContact O-CA 3.46Å; T58-M61 PolarHBondContact O-N 2.88Å; T58-C62 VanDerWaalsContact O-CB 3.29Å; T58-C62 WeakPolarHBondContact O-CB 3.4Å; T58-C62 PolarHBondContact O-N 3.03Å; T58-C62 PolarHBondContact O-SG 3.49Å; T58-W94 HydrophobicContact CG2-CB 4.08Å; T58-W94 HydrophobicContact CG2-CG 4.25Å
59M96.7Very high94.3Very high0 Ų032.8 Ų32.80%015%0.154CC..Hα-helixtrans-67.4-40.1176.5-68.1-55.1130.400112.2W55 L56 M61 C62 F63 F81 A90 W94W55-M59 HydrophobicContact CD2-CG 3.87Å; W55-M59 HydrophobicContact CE3-CG 4.28Å; W55-M59 HydrophobicContact CG-CG 4.42Å; W55-M59 HydrophobicContact CH2-CG 4.04Å; W55-M59 HydrophobicContact CZ2-CG 3.62Å; W55-M59 HydrophobicContact CZ2-SD 4.31Å; W55-M59 HydrophobicContact CZ3-CG 4.34Å; W55-M59 WeakPolarHBondContact O-CG 3.1Å; W55-M59 PolarHBondContact O-N 3.39Å; L56-M59 PolarHBondContact O-N 3.43Å; L56-M59 VanDerWaalsContact O-N 3.11Å; M59-M61 VanDerWaalsContact C-N 3.29Å; M59-M61 PolarHBondContact O-N 3.34Å; M59-C62 CarbonylContact O-C 3.44Å; M59-C62 WeakPolarHBondContact O-CA 3.3Å; M59-C62 PolarHBondContact O-N 3.05Å; M59-F63 VanDerWaalsContact O-CD2 3.28Å; M59-F63 WeakPolarHBondContact O-CD2 3.41Å; M59-F63 PolarHBondContact O-N 2.97Å; M59-F63 HydrophobicContact SD-CD2 4.43Å; M59-F63 HydrophobicContact SD-CE2 3.81Å; M59-F81 HydrophobicContact CB-CE1 4.01Å; M59-F81 HydrophobicContact CB-CZ 3.86Å; M59-F81 HydrophobicContact CG-CE1 4.23Å; M59-A90 HydrophobicContact CE-CB 3.8Å; M59-A90 HydrophobicContact SD-CB 3.92Å; M59-W94 HydrophobicContact CE-CB 4.43Å
60L95.3Very high94.6Very high14 Ų1424.3 Ų24.37%0.07312%0.123CC..Hα-helixtrans-60.1-43.7169.6-67.4174.6000110.3L56 C62 F63 G64 I67 M162 I165 Q166 V169L56-L60 HydrophobicContact CD1-CG 4.49Å; L56-L60 HydrophobicContact CG-CD1 4.42Å; L56-L60 WeakPolarHBondContact O-CG 3.42Å; L56-L60 PolarHBondContact O-N 2.81Å; L60-C62 PolarHBondContact O-N 3.22Å; L60-F63 PolarHBondContact O-N 2.84Å; L60-G64 WeakPolarHBondContact O-CA 3.43Å; L60-G64 PolarHBondContact O-N 3Å; L60-I67 HydrophobicContact CD2-CD1 3.85Å; L60-M162 HydrophobicContact CB-CG 3.78Å; L60-M162 HydrophobicContact CB-SD 4.14Å; L60-M162 HydrophobicContact CD2-SD 4.18Å; L60-M162 VanDerWaalsContact O-CG 3.26Å; L60-M162 WeakPolarHBondContact O-CG 3.38Å; L60-I165 HydrophobicContact CD1-CG2 4.12Å; L60-Q166 HydrophobicContact CB-CB 4.34Å; L60-V169 HydrophobicContact CD1-CG2 3.77Å
61M94.2Very high94.8Very high1 Ų126.8 Ų26.81%0.00513%0.133CC..Hα-helixtrans-39.3-63.2160.367.8-178.2-64.600113.9V34 A57 T58 M59 F63 Y159 K163 Q166 S320V34-M61 HydrophobicContact CG2-CG 4.06Å; A57-M61 PolarHBondContact O-N 3.23Å; T58-M61 CarbonylContact O-C 3.56Å; T58-M61 WeakPolarHBondContact O-CA 3.46Å; T58-M61 PolarHBondContact O-N 2.88Å; M59-M61 VanDerWaalsContact C-N 3.29Å; M59-M61 PolarHBondContact O-N 3.34Å; M61-F63 VanDerWaalsContact C-N 3.31Å; M61-F63 PolarHBondContact O-N 3.14Å; M61-Y159 HydrophobicContact CE-CD2 4.11Å; M61-K163 HydrophobicContact SD-CB 3.89Å; M61-K163 HydrophobicContact SD-CG 4.05Å; M61-Q166 HydrophobicContact CG-CB 4.31Å; M61-Q166 HydrophobicContact CG-CG 3.73Å; M61-Q166 HydrophobicContact SD-CG 3.55Å; M61-Q166 VanDerWaalsContact SD-CG 3.55Å; M61-S320 PolarHBondContact O-OG 3.37Å
62C95.7Very high94.8Very high0 Ų026.6 Ų26.60%013%0.128CC..Hα-helixtrans-77.4-3.4-170.7-690000114.7Y27 M30 T58 M59 L60 A90 S320Y27-C62 HydrophobicContact CD1-CB 3.78Å; Y27-C62 VanDerWaalsContact CD1-SG 3.53Å; Y27-C62 HydrophobicContact CE1-CB 3.94Å; M30-C62 WeakPolarHBondContact CB-SG 3.28Å; M30-C62 HydrophobicContact CG-CB 4.41Å; M30-C62 VanDerWaalsContact CG-SG 3.52Å; T58-C62 VanDerWaalsContact O-CB 3.29Å; T58-C62 WeakPolarHBondContact O-CB 3.4Å; T58-C62 PolarHBondContact O-N 3.03Å; T58-C62 PolarHBondContact O-SG 3.49Å; M59-C62 CarbonylContact O-C 3.44Å; M59-C62 WeakPolarHBondContact O-CA 3.3Å; M59-C62 PolarHBondContact O-N 3.05Å; L60-C62 PolarHBondContact O-N 3.22Å; C62-A90 HydrophobicContact CB-CB 4.26Å; C62-S320 WeakPolarHBondContact CA-OG 3.44Å; C62-S320 WeakPolarHBondContact O-CB 3.25Å; C62-S320 PolarHBondContact O-OG 3.05Å
63F96.1Very high94.8Very high4 Ų421.1 Ų21.12%0.01811%0.106CC..Hα-helixtrans-140.711.8171.5-58.8-75.4000113.3Y27 M59 L60 M61 G65 A66 I67 C80 F81 V87 A90 S320Y27-F63 HydrophobicContact CE1-CZ 4.41Å; M59-F63 VanDerWaalsContact O-CD2 3.28Å; M59-F63 WeakPolarHBondContact O-CD2 3.41Å; M59-F63 PolarHBondContact O-N 2.97Å; M59-F63 HydrophobicContact SD-CD2 4.43Å; M59-F63 HydrophobicContact SD-CE2 3.81Å; L60-F63 PolarHBondContact O-N 2.84Å; M61-F63 VanDerWaalsContact C-N 3.31Å; M61-F63 PolarHBondContact O-N 3.14Å; F63-G65 VanDerWaalsContact C-N 3.29Å; F63-G65 PolarHBondContact O-N 3.34Å; F63-G65 VanDerWaalsContact O-N 3.15Å; F63-A66 PolarHBondContact O-N 2.68Å; F63-I67 HydrophobicContact CB-CD1 3.96Å; F63-I67 HydrophobicContact CB-CG1 4.15Å; F63-I67 WeakPolarHBondContact O-CG1 3.39Å; F63-I67 PolarHBondContact O-N 3.43Å; F63-C80 HydrophobicContact CB-CB 4.23Å; F63-C80 VanDerWaalsContact CB-SG 3.59Å; F63-C80 HydrophobicContact CD1-CB 4.07Å; F63-C80 HydrophobicContact CG-CB 4.36Å; F63-F81 HydrophobicContact CD2-CE1 4.29Å; F63-F81 HydrophobicContact CD2-CE2 4.31Å; F63-F81 HydrophobicContact CD2-CZ 4.01Å; F63-F81 HydrophobicContact CE2-CE1 4.44Å; F63-V87 HydrophobicContact CE2-CG2 4.22Å; F63-V87 HydrophobicContact CZ-CG2 4.04Å; F63-A90 HydrophobicContact CE2-CB 4.34Å; F63-A90 HydrophobicContact CZ-CB 4.3Å; F63-S320 WeakPolarHBondContact CA-OG 3.46Å; F63-S320 PolarHBondContact N-OG 3.47Å
64G95.1Very high94.8Very high0 Ų023.4 Ų23.40%013%0.133CC..Hα-helixtrans-57.1-38.2-170.500000114.2L60 L68L60-G64 WeakPolarHBondContact O-CA 3.43Å; L60-G64 PolarHBondContact O-N 3Å; G64-L68 WeakPolarHBondContact O-CB 3.47Å; G64-L68 VanDerWaalsContact O-CG 3.26Å; G64-L68 WeakPolarHBondContact O-CG 3.42Å; G64-L68 PolarHBondContact O-N 3.42Å
65G94.2Very high94.8Very high2 Ų225.1 Ų25.12%0.02115%0.145CC..Hα-helixtrans-67.1-39175.600000113.6F63 S69 L154F63-G65 VanDerWaalsContact C-N 3.29Å; F63-G65 PolarHBondContact O-N 3.34Å; F63-G65 VanDerWaalsContact O-N 3.15Å; G65-S69 VanDerWaalsContact O-CB 3.28Å; G65-S69 WeakPolarHBondContact O-CB 3.37Å; G65-S69 PolarHBondContact O-N 3.49Å; G65-S69 PolarHBondContact O-OG 3.47Å; G65-L154 WeakPolarHBondContact CA-O 3.36Å
66A94.7Very high94.7Very high14 Ų1426.7 Ų26.712%0.11616%0.163CC..Hα-helixtrans-69.5-49.4176.600000111F63 L68 S69 N70 C80F63-A66 PolarHBondContact O-N 2.68Å; A66-L68 VanDerWaalsContact C-N 3.35Å; A66-L68 PolarHBondContact O-N 2.97Å; A66-S69 PolarHBondContact O-N 2.88Å; A66-S69 VanDerWaalsContact O-N 3.12Å; A66-S69 PolarHBondContact O-OG 3.3Å; A66-N70 WeakPolarHBondContact O-CB 3.46Å; A66-N70 VanDerWaalsContact O-CG 3.27Å; A66-N70 PolarHBondContact O-N 2.86Å; A66-N70 PolarHBondContact O-OD1 2.98Å; A66-C80 HydrophobicContact CB-CB 3.7Å
67I96.1Very high94.5Very high13 Ų1327.6 Ų27.67%0.06717%0.167CC..Hα-helixtrans-54.8-49.2178.3-65.1167.1000110.8L60 F63 N70 F71 F81 M162L60-I67 HydrophobicContact CD2-CD1 3.85Å; F63-I67 HydrophobicContact CB-CD1 3.96Å; F63-I67 HydrophobicContact CB-CG1 4.15Å; F63-I67 WeakPolarHBondContact O-CG1 3.39Å; F63-I67 PolarHBondContact O-N 3.43Å; I67-N70 PolarHBondContact O-N 3.5Å; I67-F71 WeakPolarHBondContact O-CB 3.42Å; I67-F71 PolarHBondContact O-N 3.35Å; I67-F81 HydrophobicContact CD1-CE2 4.36Å; I67-M162 HydrophobicContact CB-CE 4.07Å; I67-M162 HydrophobicContact CG2-CE 3.84Å
68L95.2Very high94.4Very high27 Ų2733.3 Ų33.314%0.14119%0.193CC..Hα-helixtrans-68.9-37179.1-68.6172.4000112.3G64 A66 N70 F71 I72 L154 G158 E161 M162G64-L68 WeakPolarHBondContact O-CB 3.47Å; G64-L68 VanDerWaalsContact O-CG 3.26Å; G64-L68 WeakPolarHBondContact O-CG 3.42Å; G64-L68 PolarHBondContact O-N 3.42Å; A66-L68 VanDerWaalsContact C-N 3.35Å; A66-L68 PolarHBondContact O-N 2.97Å; L68-N70 VanDerWaalsContact C-N 3.31Å; L68-N70 PolarHBondContact O-N 3.49Å; L68-F71 WeakPolarHBondContact O-CB 3.49Å; L68-F71 PolarHBondContact O-N 2.75Å; L68-I72 PolarHBondContact O-N 2.9Å; L68-L154 HydrophobicContact CB-CB 4.42Å; L68-L154 HydrophobicContact CB-CD1 4.22Å; L68-L154 HydrophobicContact CB-CD2 4.07Å; L68-L154 HydrophobicContact CB-CG 4.48Å; L68-L154 HydrophobicContact CD1-CD2 4.08Å; L68-G158 WeakPolarHBondContact CD1-O 3.29Å; L68-E161 HydrophobicContact CD1-CB 3.86Å; L68-M162 HydrophobicContact CD1-CE 4.17Å; L68-M162 HydrophobicContact CD2-CE 3.92Å; L68-M162 HydrophobicContact CG-CE 3.68Å
69S94.5Very high94.3Very high0 Ų035.9 Ų35.90%020%0.204CC..Hα-helixtrans-64-40.3175.174.60000111.6G65 A66 I72 T73 K155G65-S69 VanDerWaalsContact O-CB 3.28Å; G65-S69 WeakPolarHBondContact O-CB 3.37Å; G65-S69 PolarHBondContact O-N 3.49Å; G65-S69 PolarHBondContact O-OG 3.47Å; A66-S69 PolarHBondContact O-N 2.88Å; A66-S69 VanDerWaalsContact O-N 3.12Å; A66-S69 PolarHBondContact O-OG 3.3Å; S69-I72 PolarHBondContact O-N 3.4Å; S69-T73 WeakPolarHBondContact O-CG2 3.32Å; S69-T73 PolarHBondContact O-N 3.45Å; S69-T73 PolarHBondContact O-OG1 3.26Å; S69-K155 PolarHBondContact OG-NZ 3.32Å
70N94.8Very high94Very high14 Ų1436.4 Ų36.48%0.07521%0.208CC..Hα-helixtrans-67.8-37.7177.8-70.812.5000111.5A66 I67 L68 I72 T73 G74 S75 P76A66-N70 WeakPolarHBondContact O-CB 3.46Å; A66-N70 VanDerWaalsContact O-CG 3.27Å; A66-N70 PolarHBondContact O-N 2.86Å; A66-N70 PolarHBondContact O-OD1 2.98Å; I67-N70 PolarHBondContact O-N 3.5Å; L68-N70 VanDerWaalsContact C-N 3.31Å; L68-N70 PolarHBondContact O-N 3.49Å; N70-I72 VanDerWaalsContact C-N 3.3Å; N70-I72 PolarHBondContact O-N 2.82Å; N70-T73 WeakPolarHBondContact CA-OG1 3.4Å; N70-T73 PolarHBondContact O-N 2.89Å; N70-T73 PolarHBondContact O-OG1 2.89Å; N70-G74 PolarHBondContact O-N 3.42Å; N70-S75 PolarHBondContact O-N 2.89Å; N70-P76 PolarHBondContact ND2-O 3.42Å
71F95.1Very high93.8Very high141 Ų14138 Ų3862%0.61821%0.214SC*.Hα-helixtrans-56.5-43.9173.7-178.1-105.8000112I67 L68 L77I67-F71 WeakPolarHBondContact O-CB 3.42Å; I67-F71 PolarHBondContact O-N 3.35Å; L68-F71 WeakPolarHBondContact O-CB 3.49Å; L68-F71 PolarHBondContact O-N 2.75Å; F71-L77 HydrophobicContact CB-CD2 3.57Å; F71-L77 HydrophobicContact CD2-CD1 4.45Å; F71-L77 HydrophobicContact CD2-CD2 3.76Å; F71-L77 HydrophobicContact CG-CD2 4.17Å
72I93.5Very high93.8Very high57 Ų5743.7 Ų43.729%0.29225%0.245SC..Hα-helixtrans-75.8-34.2179.6-62.3-159.2000112.3L68 S69 N70 G74 M147 L150 L151 L154L68-I72 PolarHBondContact O-N 2.9Å; S69-I72 PolarHBondContact O-N 3.4Å; N70-I72 VanDerWaalsContact C-N 3.3Å; N70-I72 PolarHBondContact O-N 2.82Å; I72-G74 VanDerWaalsContact C-N 3.26Å; I72-G74 PolarHBondContact O-N 2.91Å; I72-M147 HydrophobicContact CG2-SD 4.3Å; I72-L150 HydrophobicContact CD1-CD2 3.47Å; I72-L150 VanDerWaalsContact CD1-CD2 3.47Å; I72-L150 HydrophobicContact CD1-CG 3.89Å; I72-L151 HydrophobicContact CB-CD1 4.33Å; I72-L151 HydrophobicContact CG2-CD1 3.85Å; I72-L154 HydrophobicContact CD1-CD1 3.26Å; I72-L154 HydrophobicContact CG1-CD1 3.88Å
73T93.3Very high93.6Very high25 Ų2544.7 Ų44.715%0.15325%0.25CS..Hα-helixtrans-79.2-8.2178.757.70000113.7S69 N70 S75 L140 F141 L151S69-T73 WeakPolarHBondContact O-CG2 3.32Å; S69-T73 PolarHBondContact O-N 3.45Å; S69-T73 PolarHBondContact O-OG1 3.26Å; N70-T73 WeakPolarHBondContact CA-OG1 3.4Å; N70-T73 PolarHBondContact O-N 2.89Å; N70-T73 PolarHBondContact O-OG1 2.89Å; T73-S75 PolarHBondContact O-N 3.46Å; T73-S75 PolarHBondContact OG1-OG 3.44Å; T73-L140 HydrophobicContact CG2-CD1 3.59Å; T73-F141 HydrophobicContact CG2-CE2 4.33Å; T73-L151 HydrophobicContact CG2-CD1 4.34Å; T73-L151 HydrophobicContact CG2-CD2 3.73Å; T73-L151 HydrophobicContact CG2-CG 4.32Å
74G92.7Very high93.5Very high70 Ų7049.4 Ų49.472%0.72228%0.28SS*.THydrogen-bonded Turntrans71.416.3-173.400000113.4N70 I72N70-G74 PolarHBondContact O-N 3.42Å; I72-G74 VanDerWaalsContact C-N 3.26Å; I72-G74 PolarHBondContact O-N 2.91Å
75S91.5Very high93.5Very high38 Ų3853.6 Ų53.627%0.26630%0.301SS..SBendtrans-79.8159.6173.5-53.50000109.9N70 T73 L77N70-S75 PolarHBondContact O-N 2.89Å; T73-S75 PolarHBondContact O-N 3.46Å; T73-S75 PolarHBondContact OG1-OG 3.44Å; S75-L77 PolarHBondContact O-N 3.03Å
76P95.3Very high93.5Very high91 Ų9153.6 Ų53.659%0.59130%0.301SS*.  trans-54.6125.2175.5-22.633000111.4N70 F78 E79N70-P76 PolarHBondContact ND2-O 3.42Å; P76-F78 PolarHBondContact O-N 2.9Å; P76-F78 VanDerWaalsContact O-N 3.17Å; P76-E79 HydrophobicContact CB-CB 4.27Å; P76-E79 VanDerWaalsContact O-CB 3.27Å; P76-E79 WeakPolarHBondContact O-CB 3.36Å; P76-E79 PolarHBondContact O-N 3.4Å; P76-E79 VanDerWaalsContact O-N 3.08Å
77L91.6Very high93.5Very high68 Ų6854 Ų5436%0.35630%0.302SS..THydrogen-bonded Turntrans-58.6-35.5-172.6-59-176.9000113.1F71 S75F71-L77 HydrophobicContact CB-CD2 3.57Å; F71-L77 HydrophobicContact CD2-CD1 4.45Å; F71-L77 HydrophobicContact CD2-CD2 3.76Å; F71-L77 HydrophobicContact CG-CD2 4.17Å; S75-L77 PolarHBondContact O-N 3.03Å
78F92.2Very high93.5Very high121 Ų12158.6 Ų58.653%0.53133%0.326SS..THydrogen-bonded Turntrans-100.715.7-177.3-59.6-63.6000113.1P76 C80 F81P76-F78 PolarHBondContact O-N 2.9Å; P76-F78 VanDerWaalsContact O-N 3.17Å; F78-C80 PolarHBondContact O-N 3.47Å; F78-C80 VanDerWaalsContact O-N 3.12Å; F78-F81 HydrophobicContact CB-CD2 3.92Å; F78-F81 AromaticContact CD1-CD2 3.72Å; F78-F81 HydrophobicContact CD1-CD2 3.72Å; F78-F81 AromaticContact CD1-CE2 3.57Å; F78-F81 HydrophobicContact CD1-CE2 3.57Å; F78-F81 HydrophobicContact CE1-CE2 4.24Å; F78-F81 HydrophobicContact CG-CD2 4.29Å; F78-F81 WeakPolarHBondContact O-CB 3.16Å; F78-F81 PolarHBondContact O-N 2.97Å
79E92.5Very high93.6Very high53 Ų5358.4 Ų58.425%0.24833%0.326CS..G310 helixtrans-54.6-30.3171.7-174174.1-16800111.2P76 F81 D82P76-E79 HydrophobicContact CB-CB 4.27Å; P76-E79 VanDerWaalsContact O-CB 3.27Å; P76-E79 WeakPolarHBondContact O-CB 3.36Å; P76-E79 PolarHBondContact O-N 3.4Å; P76-E79 VanDerWaalsContact O-N 3.08Å; E79-F81 PolarHBondContact O-N 3.46Å; E79-F81 VanDerWaalsContact O-N 3.09Å; E79-D82 WeakPolarHBondContact O-CB 3.49Å; E79-D82 PolarHBondContact O-N 3.07Å
80C90Very high93.7Very high11 Ų1158.4 Ų58.47%0.07433%0.326CS..G310 helixtrans-63.2-12.9173.362.70000115.2F63 A66 F78F63-C80 HydrophobicContact CB-CB 4.23Å; F63-C80 VanDerWaalsContact CB-SG 3.59Å; F63-C80 HydrophobicContact CD1-CB 4.07Å; F63-C80 HydrophobicContact CG-CB 4.36Å; A66-C80 HydrophobicContact CB-CB 3.7Å; F78-C80 PolarHBondContact O-N 3.47Å; F78-C80 VanDerWaalsContact O-N 3.12Å
81F92.5Very high93.9Very high47 Ų4759.5 Ų59.521%0.20633%0.333CS..G310 helixtrans-90.1-10174.6-74.2-96.3000113.2M59 F63 I67 F78 E79 D83 V87M59-F81 HydrophobicContact CB-CE1 4.01Å; M59-F81 HydrophobicContact CB-CZ 3.86Å; M59-F81 HydrophobicContact CG-CE1 4.23Å; F63-F81 HydrophobicContact CD2-CE1 4.29Å; F63-F81 HydrophobicContact CD2-CE2 4.31Å; F63-F81 HydrophobicContact CD2-CZ 4.01Å; F63-F81 HydrophobicContact CE2-CE1 4.44Å; I67-F81 HydrophobicContact CD1-CE2 4.36Å; F78-F81 HydrophobicContact CB-CD2 3.92Å; F78-F81 AromaticContact CD1-CD2 3.72Å; F78-F81 HydrophobicContact CD1-CD2 3.72Å; F78-F81 AromaticContact CD1-CE2 3.57Å; F78-F81 HydrophobicContact CD1-CE2 3.57Å; F78-F81 HydrophobicContact CE1-CE2 4.24Å; F78-F81 HydrophobicContact CG-CD2 4.29Å; F78-F81 WeakPolarHBondContact O-CB 3.16Å; F78-F81 PolarHBondContact O-N 2.97Å; E79-F81 PolarHBondContact O-N 3.46Å; E79-F81 VanDerWaalsContact O-N 3.09Å; F81-D83 PolarHBondContact O-N 3.14Å; F81-V87 HydrophobicContact CB-CG2 4.14Å; F81-V87 HydrophobicContact CD1-CG1 4.11Å; F81-V87 HydrophobicContact CD1-CG2 3.67Å; F81-V87 HydrophobicContact CE1-CG2 4.45Å; F81-V87 HydrophobicContact CG-CG2 4.18Å
82D93.4Very high94Very high121 Ų12156.2 Ų56.265%0.64733%0.325SS*.SBendtrans-66-28.8177.4-67.1-17.4000111E79 T84E79-D82 WeakPolarHBondContact O-CB 3.49Å; E79-D82 PolarHBondContact O-N 3.07Å; D82-T84 VanDerWaalsContact C-N 3.3Å; D82-T84 PolarHBondContact O-N 2.86Å
83D91Very high94.2Very high22 Ų2254.1 Ų54.112%0.11831%0.314CS..  trans-73.484.4168.9-174.91.9000111.5F81 I85 S86 V87 R323F81-D83 PolarHBondContact O-N 3.14Å; D83-I85 PolarHBondContact O-N 3.22Å; D83-I85 VanDerWaalsContact O-N 3.16Å; D83-I85 WeakPolarHBondContact OD1-CB 3.29Å; D83-I85 PolarHBondContact OD1-N 2.89Å; D83-I85 VanDerWaalsContact OD1-N 3.13Å; D83-S86 VanDerWaalsContact CG-OG 3.32Å; D83-S86 PolarHBondContact O-N 3.44Å; D83-S86 VanDerWaalsContact O-N 3.07Å; D83-S86 PolarHBondContact OD1-N 3.4Å; D83-S86 VanDerWaalsContact OD2-CB 3.23Å; D83-S86 WeakPolarHBondContact OD2-CB 3.27Å; D83-S86 PolarHBondContact OD2-OG 3.46Å; D83-V87 WeakPolarHBondContact O-CG2 3.48Å; D83-V87 PolarHBondContact O-N 2.9Å; D83-R323 IonicContact OD1-NH1 2.7Å; D83-R323 WeakPolarHBondContact OD2-CB 3.33Å; D83-R323 WeakPolarHBondContact OD2-CD 3.39Å; D83-R323 IonicContact OD2-NH1 3.74Å
84T94.1Very high94.3Very high103 Ų10353.9 Ų53.963%0.63231%0.311SS*.Hα-helixtrans-55.3-34.2179.1-56.60000112.1D82 L88D82-T84 VanDerWaalsContact C-N 3.3Å; D82-T84 PolarHBondContact O-N 2.86Å; T84-L88 WeakPolarHBondContact O-CB 3.35Å; T84-L88 PolarHBondContact O-N 3.41Å
85I95.4Very high94.4Very high87 Ų8757 Ų5745%0.44630%0.302SS..Hα-helixtrans-68.9-42.8-179.7-62.6172.7000110Y19 D83 T89Y19-I85 HydrophobicContact CE2-CG2 3.95Å; Y19-I85 VanDerWaalsContact OH-CG2 3.31Å; Y19-I85 WeakPolarHBondContact OH-CG2 3.29Å; D83-I85 PolarHBondContact O-N 3.22Å; D83-I85 VanDerWaalsContact O-N 3.16Å; D83-I85 WeakPolarHBondContact OD1-CB 3.29Å; D83-I85 PolarHBondContact OD1-N 2.89Å; D83-I85 VanDerWaalsContact OD1-N 3.13Å; I85-T89 VanDerWaalsContact O-CB 3.29Å; I85-T89 WeakPolarHBondContact O-CB 3.26Å; I85-T89 PolarHBondContact O-N 3.44Å; I85-T89 PolarHBondContact O-OG1 2.92Å
86S93.7Very high94.6Very high3 Ų358 Ų582%0.02130%0.304CS..Hα-helixtrans-65.3-45176.6-73.80000111.7D83 T89 A90D83-S86 VanDerWaalsContact CG-OG 3.32Å; D83-S86 PolarHBondContact O-N 3.44Å; D83-S86 VanDerWaalsContact O-N 3.07Å; D83-S86 PolarHBondContact OD1-N 3.4Å; D83-S86 VanDerWaalsContact OD2-CB 3.23Å; D83-S86 WeakPolarHBondContact OD2-CB 3.27Å; D83-S86 PolarHBondContact OD2-OG 3.46Å; S86-T89 PolarHBondContact O-N 2.95Å; S86-A90 WeakPolarHBondContact O-CB 3.38Å; S86-A90 PolarHBondContact O-N 3.47Å
87V95.7Very high94.6Very high23 Ų2353.7 Ų53.714%0.13928%0.276CS..Hα-helixtrans-63.3-43.5177.3177.60000111.3F63 F81 D83 A90 T91F63-V87 HydrophobicContact CE2-CG2 4.22Å; F63-V87 HydrophobicContact CZ-CG2 4.04Å; F81-V87 HydrophobicContact CB-CG2 4.14Å; F81-V87 HydrophobicContact CD1-CG1 4.11Å; F81-V87 HydrophobicContact CD1-CG2 3.67Å; F81-V87 HydrophobicContact CE1-CG2 4.45Å; F81-V87 HydrophobicContact CG-CG2 4.18Å; D83-V87 WeakPolarHBondContact O-CG2 3.48Å; D83-V87 PolarHBondContact O-N 2.9Å; V87-A90 PolarHBondContact O-N 3.5Å; V87-T91 WeakPolarHBondContact O-CB 3.15Å; V87-T91 PolarHBondContact O-N 3.15Å; V87-T91 PolarHBondContact O-OG1 3.03Å
88L96.8Very high94.6Very high109 Ų10950.6 Ų50.657%0.57126%0.259SS*.Hα-helixtrans-63.3-45.8176.6-177.366.2000111T84 A90 T91 V92T84-L88 WeakPolarHBondContact O-CB 3.35Å; T84-L88 PolarHBondContact O-N 3.41Å; L88-A90 PolarHBondContact O-N 2.91Å; L88-T91 WeakPolarHBondContact O-CB 3.44Å; L88-T91 PolarHBondContact O-N 2.96Å; L88-V92 WeakPolarHBondContact O-CG2 3.34Å; L88-V92 PolarHBondContact O-N 3.04Å
89T96.6Very high94.6Very high22 Ų2247.2 Ų47.214%0.13524%0.243CC..Hα-helixtrans-61.1-46.5178-55.50000110.7I24 Y27 I85 S86 T91 V92 V93I24-T89 HydrophobicContact CD1-CG2 4.42Å; I24-T89 HydrophobicContact CG1-CG2 3.77Å; Y27-T89 HydrophobicContact CD2-CG2 4.06Å; Y27-T89 HydrophobicContact CE2-CG2 4.09Å; I85-T89 VanDerWaalsContact O-CB 3.29Å; I85-T89 WeakPolarHBondContact O-CB 3.26Å; I85-T89 PolarHBondContact O-N 3.44Å; I85-T89 PolarHBondContact O-OG1 2.92Å; S86-T89 PolarHBondContact O-N 2.95Å; T89-T91 VanDerWaalsContact C-N 3.28Å; T89-T91 PolarHBondContact O-N 3.38Å; T89-V92 PolarHBondContact O-N 3.42Å; T89-V93 WeakPolarHBondContact O-CB 3.43Å; T89-V93 VanDerWaalsContact O-CG2 3.28Å; T89-V93 WeakPolarHBondContact O-CG2 3.34Å; T89-V93 PolarHBondContact O-N 3Å
90A97.2Very high94.7Very high0 Ų048.6 Ų48.60%025%0.249CC..Hα-helixtrans-60.8-39.3176.200000111.6Y27 M59 C62 F63 S86 V87 L88 V93 W94Y27-A90 HydrophobicContact CD1-CB 3.81Å; Y27-A90 HydrophobicContact CD2-CB 4.01Å; Y27-A90 HydrophobicContact CE1-CB 3.87Å; Y27-A90 HydrophobicContact CE2-CB 4.09Å; Y27-A90 HydrophobicContact CG-CB 3.87Å; M59-A90 HydrophobicContact CE-CB 3.8Å; M59-A90 HydrophobicContact SD-CB 3.92Å; C62-A90 HydrophobicContact CB-CB 4.26Å; F63-A90 HydrophobicContact CE2-CB 4.34Å; F63-A90 HydrophobicContact CZ-CB 4.3Å; S86-A90 WeakPolarHBondContact O-CB 3.38Å; S86-A90 PolarHBondContact O-N 3.47Å; V87-A90 PolarHBondContact O-N 3.5Å; L88-A90 PolarHBondContact O-N 2.91Å; A90-V93 PolarHBondContact O-N 2.97Å; A90-W94 VanDerWaalsContact O-CB 3.26Å; A90-W94 WeakPolarHBondContact O-CB 2.88Å; A90-W94 PolarHBondContact O-N 3.43Å
91T97.5Very high94.7Very high37 Ų3751.6 Ų51.623%0.22727%0.268CS..Hα-helixtrans-67.2-44.1177.8-60.90000111.8W55 V87 L88 T89 W94 Y95W55-T91 PolarHBondContact NE1-OG1 2.96Å; V87-T91 WeakPolarHBondContact O-CB 3.15Å; V87-T91 PolarHBondContact O-N 3.15Å; V87-T91 PolarHBondContact O-OG1 3.03Å; L88-T91 WeakPolarHBondContact O-CB 3.44Å; L88-T91 PolarHBondContact O-N 2.96Å; T89-T91 VanDerWaalsContact C-N 3.28Å; T89-T91 PolarHBondContact O-N 3.38Å; T91-W94 HydrophobicContact CG2-CE3 4.37Å; T91-W94 PolarHBondContact O-N 3.36Å; T91-Y95 WeakPolarHBondContact O-CB 3.3Å; T91-Y95 PolarHBondContact O-N 3.32Å
92V97.8Very high94.5Very high73 Ų7357.4 Ų57.444%0.44229%0.294SS..Hα-helixtrans-61.3-47.2175.3170.40000110.3L88 T89 W94 Y95 L96L88-V92 WeakPolarHBondContact O-CG2 3.34Å; L88-V92 PolarHBondContact O-N 3.04Å; T89-V92 PolarHBondContact O-N 3.42Å; V92-W94 PolarHBondContact O-N 3.22Å; V92-Y95 PolarHBondContact O-N 2.94Å; V92-L96 HydrophobicContact CG1-CD1 3.91Å; V92-L96 HydrophobicContact CG1-CG 4.33Å; V92-L96 VanDerWaalsContact O-CG 3.28Å; V92-L96 WeakPolarHBondContact O-CG 3.5Å; V92-L96 PolarHBondContact O-N 3.46Å
93V97Very high94.3Very high13 Ų1353.4 Ų53.48%0.07927%0.272CS..Hα-helixtrans-62.2-45.1178.21730000111.3I24 Y27 I28 T89 A90 Y95 L96 I97I24-V93 HydrophobicContact CG2-CG2 4.26Å; Y27-V93 VanDerWaalsContact C-CG1 3.48Å; I28-V93 HydrophobicContact CB-CG1 4.26Å; I28-V93 HydrophobicContact CG1-CG1 3.61Å; I28-V93 VanDerWaalsContact N-CG1 3.35Å; T89-V93 WeakPolarHBondContact O-CB 3.43Å; T89-V93 VanDerWaalsContact O-CG2 3.28Å; T89-V93 WeakPolarHBondContact O-CG2 3.34Å; T89-V93 PolarHBondContact O-N 3Å; A90-V93 PolarHBondContact O-N 2.97Å; V93-Y95 VanDerWaalsContact C-N 3.31Å; V93-Y95 PolarHBondContact O-N 3.29Å; V93-L96 PolarHBondContact O-N 2.89Å; V93-I97 HydrophobicContact CG1-CG1 4.28Å; V93-I97 WeakPolarHBondContact O-CB 3.41Å; V93-I97 VanDerWaalsContact O-CG1 3.29Å; V93-I97 WeakPolarHBondContact O-CG1 3.37Å; V93-I97 PolarHBondContact O-N 3.17Å
94W95.6Very high94.4Very high20 Ų2056.9 Ų56.98%0.07629%0.29CS..Hα-helixtrans-56-46.4174163.478.9000111.6S31 P51 C54 W55 T58 M59 A90 T91 V92 I97 N98 Y99S31-W94 WeakPolarHBondContact OG-CA 3.36Å; P51-W94 WeakPolarHBondContact O-CZ2 3.47Å; C54-W94 HydrophobicContact CB-CZ2 4.46Å; C54-W94 PolarHBondContact SG-NE1 3.29Å; C54-W94 VanDerWaalsContact SG-NE1 3.38Å; W55-W94 HydrophobicContact CB-CD2 4.2Å; W55-W94 HydrophobicContact CB-CE3 4.39Å; W55-W94 HydrophobicContact CB-CH2 3.83Å; W55-W94 HydrophobicContact CB-CZ2 3.62Å; W55-W94 HydrophobicContact CB-CZ3 4.21Å; W55-W94 AromaticContact CD1-CD2 3.85Å; W55-W94 AromaticContact CD1-CE3 3.57Å; W55-W94 AromaticContact CD1-CZ3 3.81Å; W55-W94 HydrophobicContact CG-CD2 4.44Å; W55-W94 HydrophobicContact CG-CE3 4.38Å; W55-W94 HydrophobicContact CG-CH2 4.44Å; W55-W94 HydrophobicContact CG-CZ3 4.36Å; T58-W94 HydrophobicContact CG2-CB 4.08Å; T58-W94 HydrophobicContact CG2-CG 4.25Å; M59-W94 HydrophobicContact CE-CB 4.43Å; A90-W94 VanDerWaalsContact O-CB 3.26Å; A90-W94 WeakPolarHBondContact O-CB 2.88Å; A90-W94 PolarHBondContact O-N 3.43Å; T91-W94 HydrophobicContact CG2-CE3 4.37Å; T91-W94 PolarHBondContact O-N 3.36Å; V92-W94 PolarHBondContact O-N 3.22Å; W94-I97 PolarHBondContact O-N 3.4Å; W94-N98 PolarHBondContact NE1-ND2 3.29Å; W94-N98 WeakPolarHBondContact O-CB 3.08Å; W94-N98 PolarHBondContact O-N 2.99Å; W94-N98 PolarHBondContact O-ND2 3.47Å; W94-Y99 AromaticContact CH2-CE2 3.73Å; W94-Y99 HydrophobicContact CH2-CE2 3.73Å; W94-Y99 AromaticContact CZ2-CE2 3.81Å; W94-Y99 HydrophobicContact CZ2-CE2 3.81Å; W94-Y99 HydrophobicContact CZ3-CE2 4.24Å
95Y95.8Very high94.3Very high136 Ų13654.1 Ų54.153%0.53327%0.271SS..Hα-helixtrans-63-48.1-179.8-177.3-91.1000111.1T91 V92 V93 I97 N98 Y99T91-Y95 WeakPolarHBondContact O-CB 3.3Å; T91-Y95 PolarHBondContact O-N 3.32Å; V92-Y95 PolarHBondContact O-N 2.94Å; V93-Y95 VanDerWaalsContact C-N 3.31Å; V93-Y95 PolarHBondContact O-N 3.29Å; Y95-I97 PolarHBondContact O-N 2.95Å; Y95-N98 PolarHBondContact O-N 3.22Å; Y95-Y99 AromaticContact CD2-CD2 3.52Å; Y95-Y99 HydrophobicContact CD2-CD2 3.52Å; Y95-Y99 HydrophobicContact CD2-CE2 4.07Å; Y95-Y99 HydrophobicContact CD2-CG 4.32Å; Y95-Y99 AromaticContact CE2-CD2 3.78Å; Y95-Y99 HydrophobicContact CE2-CD2 3.78Å; Y95-Y99 HydrophobicContact CE2-CE2 4.45Å; Y95-Y99 HydrophobicContact CE2-CG 4.16Å; Y95-Y99 HydrophobicContact CG-CD2 4.05Å; Y95-Y99 WeakPolarHBondContact O-CD2 3.41Å; Y95-Y99 PolarHBondContact O-N 3.07Å
96L95.8Very high94.2Very high59 Ų5951.9 Ų51.931%0.30926%0.258SS..Hα-helixtrans-62.7-42.3178.4-64.6171.8000111.6V92 V93 N98 F100 L105V92-L96 HydrophobicContact CG1-CD1 3.91Å; V92-L96 HydrophobicContact CG1-CG 4.33Å; V92-L96 VanDerWaalsContact O-CG 3.28Å; V92-L96 WeakPolarHBondContact O-CG 3.5Å; V92-L96 PolarHBondContact O-N 3.46Å; V93-L96 PolarHBondContact O-N 2.89Å; L96-N98 VanDerWaalsContact C-N 3.29Å; L96-N98 PolarHBondContact O-N 2.9Å; L96-F100 HydrophobicContact CD2-CD2 3.71Å; L96-F100 HydrophobicContact CD2-CE2 4.26Å; L96-F100 WeakPolarHBondContact O-CB 3.42Å; L96-F100 PolarHBondContact O-N 2.59Å; L96-L105 HydrophobicContact CB-CD2 3.44Å; L96-L105 VanDerWaalsContact CB-CD2 3.44Å; L96-L105 HydrophobicContact CD1-CD2 4.35Å; L96-L105 HydrophobicContact CG-CD2 4.49Å
97I94.3Very high94.1Very high0 Ų059.3 Ų59.30%029%0.285CS..Hα-helixtrans-65.8-33.5178.9-68.2-68.7000111.9I28 I32 K35 V93 W94 Y95 L105I28-I97 HydrophobicContact CG2-CD1 4.13Å; I32-I97 HydrophobicContact CD1-CD1 4.46Å; I32-I97 HydrophobicContact CG1-CD1 4.24Å; I32-I97 HydrophobicContact CG1-CG2 4.04Å; K35-I97 HydrophobicContact CD-CG2 3.91Å; K35-I97 WeakPolarHBondContact CD-O 3.23Å; K35-I97 PolarHBondContact NZ-O 3.33Å; V93-I97 HydrophobicContact CG1-CG1 4.28Å; V93-I97 WeakPolarHBondContact O-CB 3.41Å; V93-I97 VanDerWaalsContact O-CG1 3.29Å; V93-I97 WeakPolarHBondContact O-CG1 3.37Å; V93-I97 PolarHBondContact O-N 3.17Å; W94-I97 PolarHBondContact O-N 3.4Å; Y95-I97 PolarHBondContact O-N 2.95Å; I97-L105 HydrophobicContact CD1-CD2 3.87Å; I97-L105 HydrophobicContact CD1-CG 3.88Å; I97-L105 HydrophobicContact CG1-CD2 4.3Å
98N92.2Very high94.1Very high2 Ų263.6 Ų63.61%0.01130%0.302CS..Hα-helixtrans-91-34.4-175.5-77.5-74.1000114.9W94 Y95 L96W94-N98 PolarHBondContact NE1-ND2 3.29Å; W94-N98 WeakPolarHBondContact O-CB 3.08Å; W94-N98 PolarHBondContact O-N 2.99Å; W94-N98 PolarHBondContact O-ND2 3.47Å; Y95-N98 PolarHBondContact O-N 3.22Å; L96-N98 VanDerWaalsContact C-N 3.29Å; L96-N98 PolarHBondContact O-N 2.9Å
99Y92.4Very high93.9Very high50 Ų5058.8 Ų58.820%0.19628%0.278CS..Hα-helixtrans-123.6-3.7-167.9-54.6-78.6000114.7S47 R48 P51 W94 Y95S47-Y99 VanDerWaalsContact C-OH 3.32Å; S47-Y99 PolarHBondContact O-OH 2.74Å; R48-Y99 HydrophobicContact CG-CD1 4.33Å; R48-Y99 HydrophobicContact CG-CE1 3.91Å; P51-Y99 WeakPolarHBondContact CB-OH 3.31Å; W94-Y99 AromaticContact CH2-CE2 3.73Å; W94-Y99 HydrophobicContact CH2-CE2 3.73Å; W94-Y99 AromaticContact CZ2-CE2 3.81Å; W94-Y99 HydrophobicContact CZ2-CE2 3.81Å; W94-Y99 HydrophobicContact CZ3-CE2 4.24Å; Y95-Y99 AromaticContact CD2-CD2 3.52Å; Y95-Y99 HydrophobicContact CD2-CD2 3.52Å; Y95-Y99 HydrophobicContact CD2-CE2 4.07Å; Y95-Y99 HydrophobicContact CD2-CG 4.32Å; Y95-Y99 AromaticContact CE2-CD2 3.78Å; Y95-Y99 HydrophobicContact CE2-CD2 3.78Å; Y95-Y99 HydrophobicContact CE2-CE2 4.45Å; Y95-Y99 HydrophobicContact CE2-CG 4.16Å; Y95-Y99 HydrophobicContact CG-CD2 4.05Å; Y95-Y99 WeakPolarHBondContact O-CD2 3.41Å; Y95-Y99 PolarHBondContact O-N 3.07Å
100F92.9Very high93.7Very high83 Ų8361.9 Ų61.936%0.36429%0.289SS..SBendtrans-59.6135.9176.9-162.8-89.4000110.5L96 F102 D103 L104 L105L96-F100 HydrophobicContact CD2-CD2 3.71Å; L96-F100 HydrophobicContact CD2-CE2 4.26Å; L96-F100 WeakPolarHBondContact O-CB 3.42Å; L96-F100 PolarHBondContact O-N 2.59Å; F100-F102 PolarHBondContact O-N 3Å; F100-D103 PolarHBondContact O-N 2.91Å; F100-D103 VanDerWaalsContact O-N 3.08Å; F100-L104 HydrophobicContact CD1-CB 3.84Å; F100-L104 HydrophobicContact CE1-CB 3.87Å; F100-L104 HydrophobicContact CE1-CD1 4.03Å; F100-L105 HydrophobicContact CB-CB 4.37Å; F100-L105 HydrophobicContact CD1-CB 4.4Å; F100-L105 HydrophobicContact CG-CB 4.33Å
101P90.7Very high93.6Very high74 Ų7466 Ų6648%0.48131%0.31SS..G310 helixtrans-55141.5-172.121.5-34.7000112D103 L104P101-D103 PolarHBondContact O-N 3.39Å; P101-L104 WeakPolarHBondContact O-CG 3.37Å; P101-L104 PolarHBondContact O-N 3.31Å
102F88.5Confident93.4Very high169 Ų16968.8 Ų68.874%0.74132%0.323SS*.G310 helixtrans55.318.7-177.3-47.6-78000115.4F100 L104 R107F100-F102 PolarHBondContact O-N 3Å; F102-L104 HydrophobicContact CB-CG 4.12Å; F102-L104 PolarHBondContact O-N 2.85Å; F102-L104 VanDerWaalsContact O-N 3.15Å; F102-R107 PolarHBondContact O-NE 3.28Å
103D89.8Confident93.3Very high37 Ų3769.5 Ų69.520%0.19833%0.33CS..G310 helixtrans53.329-173-69.2-51.6000112.7K35 V44 F100 P101 L105 Y106 R107K35-D103 IonicContact NZ-OD1 2.67Å; K35-D103 PolarHBondContact NZ-OD1 3.46Å; V44-D103 WeakPolarHBondContact CG2-OD2 3.46Å; F100-D103 PolarHBondContact O-N 2.91Å; F100-D103 VanDerWaalsContact O-N 3.08Å; P101-D103 PolarHBondContact O-N 3.39Å; D103-L105 PolarHBondContact O-N 3.45Å; D103-Y106 HydrophobicContact CB-CD1 4.19Å; D103-Y106 PolarHBondContact O-N 3.07Å; D103-R107 HydrophobicContact CB-CG 4.46Å; D103-R107 WeakPolarHBondContact O-CB 3.09Å; D103-R107 WeakPolarHBondContact O-CG 3.26Å; D103-R107 PolarHBondContact O-N 3.3Å
104L91.9Very high93.2Very high94 Ų9470.1 Ų70.149%0.49233%0.333SS..Hα-helixtrans-57.3-46.5-172.9-72.1167.6000112F100 P101 F102 R107 F108F100-L104 HydrophobicContact CD1-CB 3.84Å; F100-L104 HydrophobicContact CE1-CB 3.87Å; F100-L104 HydrophobicContact CE1-CD1 4.03Å; P101-L104 WeakPolarHBondContact O-CG 3.37Å; P101-L104 PolarHBondContact O-N 3.31Å; F102-L104 HydrophobicContact CB-CG 4.12Å; F102-L104 PolarHBondContact O-N 2.85Å; F102-L104 VanDerWaalsContact O-N 3.15Å; L104-R107 PolarHBondContact O-N 2.9Å; L104-F108 WeakPolarHBondContact O-CB 3.21Å; L104-F108 PolarHBondContact O-N 2.71Å
105L92.5Very high93.1Very high45 Ų4573.4 Ų73.424%0.23635%0.346CS..Hα-helixtrans-64.6-43.5-179.7-174.165000111.7L96 I97 F100 D103 F108 C109L96-L105 HydrophobicContact CB-CD2 3.44Å; L96-L105 VanDerWaalsContact CB-CD2 3.44Å; L96-L105 HydrophobicContact CD1-CD2 4.35Å; L96-L105 HydrophobicContact CG-CD2 4.49Å; I97-L105 HydrophobicContact CD1-CD2 3.87Å; I97-L105 HydrophobicContact CD1-CG 3.88Å; I97-L105 HydrophobicContact CG1-CD2 4.3Å; F100-L105 HydrophobicContact CB-CB 4.37Å; F100-L105 HydrophobicContact CD1-CB 4.4Å; F100-L105 HydrophobicContact CG-CB 4.33Å; D103-L105 PolarHBondContact O-N 3.45Å; L105-F108 PolarHBondContact O-N 3.07Å; L105-C109 WeakPolarHBondContact O-CB 3.44Å; L105-C109 PolarHBondContact O-N 3.31Å; L105-C109 PolarHBondContact O-SG 3.21Å
106Y92.7Very high93.1Very high41 Ų4168.5 Ų68.516%0.16133%0.328CS..Hα-helixtrans-60.2-46.8175.5166.5-104000111.5I32 K35 E36 D103 C109 K110I32-Y106 HydrophobicContact CG1-CD2 4.1Å; I32-Y106 HydrophobicContact CG1-CE2 4.49Å; I32-Y106 HydrophobicContact CG2-CE2 4.19Å; K35-Y106 HydrophobicContact CD-CD2 3.86Å; K35-Y106 HydrophobicContact CD-CE2 4.22Å; K35-Y106 HydrophobicContact CD-CG 4.24Å; E36-Y106 HydrophobicContact CG-CE2 4.14Å; E36-Y106 PolarHBondContact OE1-OH 3.13Å; D103-Y106 HydrophobicContact CB-CD1 4.19Å; D103-Y106 PolarHBondContact O-N 3.07Å; Y106-C109 PolarHBondContact O-N 3.34Å; Y106-K110 HydrophobicContact CD1-CD 4.42Å; Y106-K110 HydrophobicContact CD2-CD 4.35Å; Y106-K110 HydrophobicContact CE1-CD 3.8Å; Y106-K110 HydrophobicContact CE2-CD 3.69Å; Y106-K110 HydrophobicContact CE2-CG 4.44Å; Y106-K110 WeakPolarHBondContact O-CG 3.46Å; Y106-K110 PolarHBondContact O-N 3.38Å; Y106-K110 WeakPolarHBondContact OH-CD 3.44Å; Y106-K110 PolarHBondContact OH-NZ 3.02Å
107R93Very high93.1Very high158 Ų15870.9 Ų70.960%0.59634%0.341SS*.Hα-helixtrans-63.3-42.8177-70177.5-175.8-158.41.4111.5F102 D103 L104 K110 I111F102-R107 PolarHBondContact O-NE 3.28Å; D103-R107 HydrophobicContact CB-CG 4.46Å; D103-R107 WeakPolarHBondContact O-CB 3.09Å; D103-R107 WeakPolarHBondContact O-CG 3.26Å; D103-R107 PolarHBondContact O-N 3.3Å; L104-R107 PolarHBondContact O-N 2.9Å; R107-K110 WeakPolarHBondContact O-CB 3.31Å; R107-K110 PolarHBondContact O-N 3.07Å; R107-K110 VanDerWaalsContact O-N 3.08Å; R107-I111 PolarHBondContact O-N 3.29Å
108F94.6Very high93.1Very high113 Ų11371.6 Ų71.650%0.49635%0.345SS..Hα-helixtrans-60-46.4177.2179.5-104.8000111.8L104 L105 K110 I111 V114L104-F108 WeakPolarHBondContact O-CB 3.21Å; L104-F108 PolarHBondContact O-N 2.71Å; L105-F108 PolarHBondContact O-N 3.07Å; F108-K110 PolarHBondContact O-N 3.27Å; F108-K110 VanDerWaalsContact O-N 3.16Å; F108-I111 HydrophobicContact CD2-CD1 3.96Å; F108-I111 WeakPolarHBondContact O-CB 3.11Å; F108-I111 PolarHBondContact O-N 3.27Å; F108-I111 VanDerWaalsContact O-N 3.1Å; F108-V114 HydrophobicContact CD1-CG1 4.05Å; F108-V114 HydrophobicContact CD1-CG2 4.47Å; F108-V114 HydrophobicContact CD2-CG2 4.38Å; F108-V114 HydrophobicContact CE1-CG1 3.77Å; F108-V114 HydrophobicContact CE1-CG2 3.97Å; F108-V114 HydrophobicContact CE2-CG2 3.87Å; F108-V114 HydrophobicContact CZ-CG1 4.31Å; F108-V114 HydrophobicContact CZ-CG2 3.64Å; F108-V114 WeakPolarHBondContact O-CB 3.44Å
109C94Very high93.2Very high9 Ų971.6 Ų71.66%0.06135%0.345CS..Hα-helixtrans-65-16.8176-66.30000114I28 I32 L105 Y106 R115I28-C109 HydrophobicContact CG2-CB 4.13Å; I28-C109 VanDerWaalsContact CG2-SG 3.6Å; I32-C109 HydrophobicContact CD1-CB 3.59Å; L105-C109 WeakPolarHBondContact O-CB 3.44Å; L105-C109 PolarHBondContact O-N 3.31Å; L105-C109 PolarHBondContact O-SG 3.21Å; Y106-C109 PolarHBondContact O-N 3.34Å; C109-R115 WeakPolarHBondContact O-CB 3.08Å
110K91.5Very high93.3Very high87 Ų8770.1 Ų70.138%0.37834%0.342SS..Hα-helixtrans-89.3-14.2175.3-72.4-175.467.5143.20113.9E36 Y106 R107 F108 L112E36-K110 IonicContact OE1-NZ 2.59Å; E36-K110 PolarHBondContact OE1-NZ 3.28Å; Y106-K110 HydrophobicContact CD1-CD 4.42Å; Y106-K110 HydrophobicContact CD2-CD 4.35Å; Y106-K110 HydrophobicContact CE1-CD 3.8Å; Y106-K110 HydrophobicContact CE2-CD 3.69Å; Y106-K110 HydrophobicContact CE2-CG 4.44Å; Y106-K110 WeakPolarHBondContact O-CG 3.46Å; Y106-K110 PolarHBondContact O-N 3.38Å; Y106-K110 WeakPolarHBondContact OH-CD 3.44Å; Y106-K110 PolarHBondContact OH-NZ 3.02Å; R107-K110 WeakPolarHBondContact O-CB 3.31Å; R107-K110 PolarHBondContact O-N 3.07Å; R107-K110 VanDerWaalsContact O-N 3.08Å; F108-K110 PolarHBondContact O-N 3.27Å; F108-K110 VanDerWaalsContact O-N 3.16Å; K110-L112 PolarHBondContact O-N 3.44Å
111I95.4Very high93.4Very high86 Ų8668.4 Ų68.444%0.44134%0.337SS..SBendtrans-60.4128.8172.3-61172.4000108.1R107 F108 P113 V114 R115R107-I111 PolarHBondContact O-N 3.29Å; F108-I111 HydrophobicContact CD2-CD1 3.96Å; F108-I111 WeakPolarHBondContact O-CB 3.11Å; F108-I111 PolarHBondContact O-N 3.27Å; F108-I111 VanDerWaalsContact O-N 3.1Å; I111-P113 HydrophobicContact CG2-CG 3.8Å; I111-V114 HydrophobicContact CB-CG2 4.34Å; I111-V114 PolarHBondContact O-N 2.86Å; I111-R115 PolarHBondContact O-N 3.14Å
112L92.9Very high93.6Very high96 Ų9664.9 Ų64.950%0.50331%0.314SS..Hα-helixtrans-47.7-54.8-169.9-159.5173.7000113.7K110 V114 R115 L116K110-L112 PolarHBondContact O-N 3.44Å; L112-V114 PolarHBondContact O-N 3.09Å; L112-R115 PolarHBondContact O-N 3.45Å; L112-L116 HydrophobicContact CD2-CD1 3.31Å; L112-L116 HydrophobicContact CD2-CG 3.72Å; L112-L116 WeakPolarHBondContact O-CG 3.22Å; L112-L116 PolarHBondContact O-N 3.41Å
113P95.2Very high93.9Very high88 Ų8856.9 Ų56.957%0.57128%0.279SS*.Hα-helixtrans-58.9-41.1178.520.5-35.4000113.9I111 L116 L117I111-P113 HydrophobicContact CG2-CG 3.8Å; P113-L116 PolarHBondContact O-N 3.38Å; P113-L117 PolarHBondContact O-N 2.86Å
114V95.6Very high94.1Very high26 Ų2656 Ų5616%0.15828%0.275CS..Hα-helixtrans-66.8-44.7177.8-1780000109.9F108 I111 L112 L116 L117 V118F108-V114 HydrophobicContact CD1-CG1 4.05Å; F108-V114 HydrophobicContact CD1-CG2 4.47Å; F108-V114 HydrophobicContact CD2-CG2 4.38Å; F108-V114 HydrophobicContact CE1-CG1 3.77Å; F108-V114 HydrophobicContact CE1-CG2 3.97Å; F108-V114 HydrophobicContact CE2-CG2 3.87Å; F108-V114 HydrophobicContact CZ-CG1 4.31Å; F108-V114 HydrophobicContact CZ-CG2 3.64Å; F108-V114 WeakPolarHBondContact O-CB 3.44Å; I111-V114 HydrophobicContact CB-CG2 4.34Å; I111-V114 PolarHBondContact O-N 2.86Å; L112-V114 PolarHBondContact O-N 3.09Å; V114-L116 VanDerWaalsContact C-N 3.32Å; V114-L116 PolarHBondContact O-N 3.1Å; V114-L117 PolarHBondContact O-N 3.38Å; V114-V118 HydrophobicContact CG1-CG2 4.22Å; V114-V118 VanDerWaalsContact O-CG2 3.29Å; V114-V118 WeakPolarHBondContact O-CG2 3.35Å; V114-V118 PolarHBondContact O-N 3.46Å
115R93.9Very high94.2Very high88 Ų8851.6 Ų51.633%0.33225%0.252SS..Hα-helixtrans-59.4-43.1177.4-172.5176.4-179.41782.3111.5C109 I111 L112 C119C109-R115 WeakPolarHBondContact O-CB 3.08Å; I111-R115 PolarHBondContact O-N 3.14Å; L112-R115 PolarHBondContact O-N 3.45Å; R115-C119 WeakPolarHBondContact O-CB 3.23Å; R115-C119 PolarHBondContact O-N 3.05Å; R115-C119 PolarHBondContact O-SG 2.84Å
116L94.6Very high94.3Very high33 Ų3349.4 Ų49.417%0.17324%0.24CC..Hα-helixtrans-61.4-46176.1-76.8176000111.6L112 P113 V114 C119 S120 I225 I228L112-L116 HydrophobicContact CD2-CD1 3.31Å; L112-L116 HydrophobicContact CD2-CG 3.72Å; L112-L116 WeakPolarHBondContact O-CG 3.22Å; L112-L116 PolarHBondContact O-N 3.41Å; P113-L116 PolarHBondContact O-N 3.38Å; V114-L116 VanDerWaalsContact C-N 3.32Å; V114-L116 PolarHBondContact O-N 3.1Å; L116-C119 PolarHBondContact O-N 2.68Å; L116-S120 WeakPolarHBondContact O-CB 3.45Å; L116-S120 PolarHBondContact O-N 2.67Å; L116-S120 PolarHBondContact O-OG 3.32Å; L116-I225 HydrophobicContact CD2-CG1 4.43Å; L116-I225 HydrophobicContact CD2-CG2 4.35Å; L116-I228 HydrophobicContact CD2-CB 3.83Å; L116-I228 HydrophobicContact CD2-CD1 4.03Å; L116-I228 HydrophobicContact CD2-CG2 3.59Å; L116-I228 HydrophobicContact CG-CG2 4.41Å
117L95.6Very high94.5Very high110 Ų11047.5 Ų47.558%0.57623%0.233SC*.Hα-helixtrans-61.4-51.8178.618064.5000111.5P113 V114 C119 S120 L121P113-L117 PolarHBondContact O-N 2.86Å; V114-L117 PolarHBondContact O-N 3.38Å; L117-C119 VanDerWaalsContact C-N 3.33Å; L117-C119 PolarHBondContact O-N 2.73Å; L117-S120 WeakPolarHBondContact O-CB 3.42Å; L117-S120 PolarHBondContact O-N 3.49Å; L117-S120 VanDerWaalsContact O-N 3.11Å; L117-L121 HydrophobicContact CG-CD1 4.48Å; L117-L121 WeakPolarHBondContact O-CG 3.32Å; L117-L121 PolarHBondContact O-N 3.39Å
118V95.6Very high94.6Very high14 Ų1441.5 Ų41.59%0.08521%0.211CC..Hα-helixtrans-62-42-179.4178.20000110.9A25 I28 L29 V114 S120 L121 K122A25-V118 HydrophobicContact CB-CG1 3.89Å; A25-V118 WeakPolarHBondContact O-CG1 3.39Å; I28-V118 HydrophobicContact CB-CG1 4.44Å; I28-V118 HydrophobicContact CG2-CG1 4.19Å; L29-V118 HydrophobicContact CD1-CG1 3.89Å; L29-V118 HydrophobicContact CD2-CG1 4.17Å; L29-V118 HydrophobicContact CG-CG1 3.64Å; V114-V118 HydrophobicContact CG1-CG2 4.22Å; V114-V118 VanDerWaalsContact O-CG2 3.29Å; V114-V118 WeakPolarHBondContact O-CG2 3.35Å; V114-V118 PolarHBondContact O-N 3.46Å; V118-S120 VanDerWaalsContact C-N 3.34Å; V118-S120 PolarHBondContact O-N 3.02Å; V118-L121 PolarHBondContact O-N 3.12Å; V118-K122 WeakPolarHBondContact O-CB 3.28Å; V118-K122 PolarHBondContact O-N 3.5Å
119C94.3Very high94.6Very high2 Ų236.3 Ų36.31%0.01419%0.188CC..Hα-helixtrans-61.5-42.3174.1-730000111.8R115 L116 L117 K122 E123 R224 I228R115-C119 WeakPolarHBondContact O-CB 3.23Å; R115-C119 PolarHBondContact O-N 3.05Å; R115-C119 PolarHBondContact O-SG 2.84Å; L116-C119 PolarHBondContact O-N 2.68Å; L117-C119 VanDerWaalsContact C-N 3.33Å; L117-C119 PolarHBondContact O-N 2.73Å; C119-K122 PolarHBondContact O-N 3.48Å; C119-E123 VanDerWaalsContact O-CG 3.23Å; C119-E123 WeakPolarHBondContact O-CG 3.27Å; C119-E123 PolarHBondContact O-N 3.17Å; C119-R224 HydrophobicContact CB-CG 4.18Å; C119-I228 HydrophobicContact CB-CD1 3.86Å
120S94.8Very high94.7Very high19 Ų1935.9 Ų35.913%0.13319%0.186CC..Hα-helixtrans-63.2-46.3179.8-57.90000111.6L116 L117 V118 K122 E123 V124L116-S120 WeakPolarHBondContact O-CB 3.45Å; L116-S120 PolarHBondContact O-N 2.67Å; L116-S120 PolarHBondContact O-OG 3.32Å; L117-S120 WeakPolarHBondContact O-CB 3.42Å; L117-S120 PolarHBondContact O-N 3.49Å; L117-S120 VanDerWaalsContact O-N 3.11Å; V118-S120 VanDerWaalsContact C-N 3.34Å; V118-S120 PolarHBondContact O-N 3.02Å; S120-K122 VanDerWaalsContact C-N 3.32Å; S120-K122 PolarHBondContact O-N 3.3Å; S120-E123 PolarHBondContact O-N 2.76Å; S120-E123 VanDerWaalsContact O-N 3.15Å; S120-V124 PolarHBondContact O-N 3.48Å
121L95.2Very high94.9Very high47 Ų4732.9 Ų32.925%0.24617%0.173CC..Hα-helixtrans-59-44.3174.7-65.5175.5000111.1F22 A25 L117 V118 E123 V124 Q125F22-L121 HydrophobicContact CD1-CB 4.01Å; F22-L121 HydrophobicContact CD1-CD2 3.94Å; F22-L121 VanDerWaalsContact CD1-O 3.32Å; F22-L121 WeakPolarHBondContact CD1-O 3.44Å; F22-L121 HydrophobicContact CE1-CB 4.35Å; F22-L121 HydrophobicContact CE1-CD2 3.5Å; F22-L121 VanDerWaalsContact CE1-CD2 3.5Å; F22-L121 HydrophobicContact CZ-CD2 4.08Å; A25-L121 HydrophobicContact CB-CB 3.67Å; A25-L121 HydrophobicContact CB-CD1 4.07Å; L117-L121 HydrophobicContact CG-CD1 4.48Å; L117-L121 WeakPolarHBondContact O-CG 3.32Å; L117-L121 PolarHBondContact O-N 3.39Å; V118-L121 PolarHBondContact O-N 3.12Å; L121-E123 VanDerWaalsContact C-N 3.28Å; L121-E123 PolarHBondContact O-N 3.06Å; L121-V124 WeakPolarHBondContact O-CB 3.37Å; L121-V124 PolarHBondContact O-N 3.48Å; L121-Q125 PolarHBondContact O-N 2.98Å
122K93.4Very high94.9Very high0 Ų030.3 Ų30.30%016%0.159CC..Hα-helixtrans-62-35.8177.2176.6-92.9154.91740112.7N26 L29 V118 C119 S120 Q125 R126 Y159 S319N26-K122 HydrophobicContact CB-CG 4.43Å; L29-K122 HydrophobicContact CD1-CB 3.51Å; L29-K122 HydrophobicContact CD1-CD 4.29Å; L29-K122 HydrophobicContact CD1-CG 3.8Å; V118-K122 WeakPolarHBondContact O-CB 3.28Å; V118-K122 PolarHBondContact O-N 3.5Å; C119-K122 PolarHBondContact O-N 3.48Å; S120-K122 VanDerWaalsContact C-N 3.32Å; S120-K122 PolarHBondContact O-N 3.3Å; K122-Q125 WeakPolarHBondContact O-CB 3.49Å; K122-Q125 PolarHBondContact O-N 2.89Å; K122-R126 PolarHBondContact O-N 2.87Å; K122-Y159 PolarHBondContact NZ-OH 3.19Å; K122-S319 WeakPolarHBondContact CE-OG 3.37Å; K122-S319 PolarHBondContact NZ-OG 2.81Å
123E94.7Very high95Very high1 Ų125.7 Ų25.71%0.00514%0.135CC..Hα-helixtrans-70.7-34.8178.7-69.4-68.7108.800112.3C119 S120 L121 R126 A127 F220 V221 R224C119-E123 VanDerWaalsContact O-CG 3.23Å; C119-E123 WeakPolarHBondContact O-CG 3.27Å; C119-E123 PolarHBondContact O-N 3.17Å; S120-E123 PolarHBondContact O-N 2.76Å; S120-E123 VanDerWaalsContact O-N 3.15Å; L121-E123 VanDerWaalsContact C-N 3.28Å; L121-E123 PolarHBondContact O-N 3.06Å; E123-R126 VanDerWaalsContact CD-CZ 3.46Å; E123-R126 WeakPolarHBondContact O-CB 3.46Å; E123-R126 PolarHBondContact O-N 3.06Å; E123-R126 IonicContact OE1-CZ 3.82Å; E123-R126 IonicContact OE1-NE 3.57Å; E123-R126 IonicContact OE1-NH1 3.53Å; E123-R126 PolarHBondContact OE1-NH1 3.28Å; E123-R126 IonicContact OE2-CZ 3.22Å; E123-R126 IonicContact OE2-NE 2.72Å; E123-R126 IonicContact OE2-NH1 3.72Å; E123-R126 PolarHBondContact OE2-NH1 2.86Å; E123-R126 IonicContact OE2-NH2 2.82Å; E123-R126 PolarHBondContact OE2-NH2 2.84Å; E123-A127 PolarHBondContact O-N 3.26Å; E123-F220 HydrophobicContact CB-CB 4.23Å; E123-V221 HydrophobicContact CB-CG2 4.12Å; E123-R224 HydrophobicContact CG-CB 3.72Å; E123-R224 HydrophobicContact CG-CG 3.69Å
124V95.1Very high95.1Very high20 Ų2021.7 Ų21.712%0.12111%0.109CC..Hα-helixtrans-59.3-50168.7162.50000110.8M18 F22 S120 L121 R126 A127 K128 M217 V221M18-V124 HydrophobicContact CE-CG1 4.07Å; M18-V124 HydrophobicContact SD-CG1 4.22Å; F22-V124 HydrophobicContact CD1-CB 3.94Å; F22-V124 HydrophobicContact CD1-CG1 3.61Å; F22-V124 HydrophobicContact CE1-CB 3.67Å; F22-V124 HydrophobicContact CE1-CG1 3.22Å; F22-V124 HydrophobicContact CE1-CG2 4.27Å; F22-V124 HydrophobicContact CZ-CG1 3.94Å; S120-V124 PolarHBondContact O-N 3.48Å; L121-V124 WeakPolarHBondContact O-CB 3.37Å; L121-V124 PolarHBondContact O-N 3.48Å; V124-R126 PolarHBondContact O-N 3.36Å; V124-A127 PolarHBondContact O-N 2.99Å; V124-K128 PolarHBondContact O-N 3.03Å; V124-M217 WeakPolarHBondContact CA-SD 3.43Å; V124-M217 HydrophobicContact CB-CE 3.86Å; V124-M217 HydrophobicContact CB-SD 3.83Å; V124-M217 HydrophobicContact CG1-CE 3.29Å; V124-M217 HydrophobicContact CG1-SD 3.58Å; V124-M217 VanDerWaalsContact CG1-SD 3.58Å; V124-M217 HydrophobicContact CG2-CE 3.71Å; V124-M217 HydrophobicContact CG2-SD 4.05Å; V124-V221 HydrophobicContact CG2-CG2 3.79Å
125Q93.9Very high95.1Very high0 Ų025.4 Ų25.40%012%0.124CC..Hα-helixtrans-58.5-40.1177.3-158.3-156.418.200111.5M18 F22 D23 L121 K122 K128 K129 L322M18-Q125 HydrophobicContact SD-CB 4.46Å; M18-Q125 HydrophobicContact SD-CG 4.36Å; F22-Q125 HydrophobicContact CB-CB 4.09Å; F22-Q125 HydrophobicContact CB-CG 4.11Å; D23-Q125 PolarHBondContact OD1-NE2 3.4Å; L121-Q125 PolarHBondContact O-N 2.98Å; K122-Q125 WeakPolarHBondContact O-CB 3.49Å; K122-Q125 PolarHBondContact O-N 2.89Å; Q125-K128 PolarHBondContact O-N 3.16Å; Q125-K129 VanDerWaalsContact NE2-NZ 3.13Å; Q125-K129 WeakPolarHBondContact O-CG 3.38Å; Q125-K129 PolarHBondContact O-N 3.34Å; Q125-L322 HydrophobicContact CG-CD1 3.92Å
126R95Very high95.1Very high0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-59.6-50.9177.9-174.6-17976.7-163.36111.5K122 E123 V124 K128 K129 I130 G156 T186 S190 F220K122-R126 PolarHBondContact O-N 2.87Å; E123-R126 VanDerWaalsContact CD-CZ 3.46Å; E123-R126 WeakPolarHBondContact O-CB 3.46Å; E123-R126 PolarHBondContact O-N 3.06Å; E123-R126 IonicContact OE1-CZ 3.82Å; E123-R126 IonicContact OE1-NE 3.57Å; E123-R126 IonicContact OE1-NH1 3.53Å; E123-R126 PolarHBondContact OE1-NH1 3.28Å; E123-R126 IonicContact OE2-CZ 3.22Å; E123-R126 IonicContact OE2-NE 2.72Å; E123-R126 IonicContact OE2-NH1 3.72Å; E123-R126 PolarHBondContact OE2-NH1 2.86Å; E123-R126 IonicContact OE2-NH2 2.82Å; E123-R126 PolarHBondContact OE2-NH2 2.84Å; V124-R126 PolarHBondContact O-N 3.36Å; R126-K128 PolarHBondContact O-N 3.2Å; R126-K129 PolarHBondContact O-N 3.19Å; R126-K129 VanDerWaalsContact O-N 3.14Å; R126-I130 HydrophobicContact CG-CD1 4.18Å; R126-I130 WeakPolarHBondContact O-CG1 3.23Å; R126-I130 PolarHBondContact O-N 2.74Å; R126-G156 WeakPolarHBondContact CG-O 3.45Å; R126-T186 VanDerWaalsContact NH1-CG2 3.26Å; R126-S190 WeakPolarHBondContact CD-OG 3.44Å; R126-F220 HydrophobicContact CB-CD2 4.46Å; R126-F220 HydrophobicContact CB-CE2 4.49Å; R126-F220 HydrophobicContact CG-CD2 4.45Å; R126-F220 HydrophobicContact CG-CE2 4.06Å; R126-F220 VanDerWaalsContact NH2-CD1 3.33Å
127A95.9Very high95.1Very high0 Ų022.4 Ų22.40%011%0.113CC..Hα-helixtrans-57.8-40.5179.900000111.5E123 V124 I130 F131 F213 I216 M217 F220E123-A127 PolarHBondContact O-N 3.26Å; V124-A127 PolarHBondContact O-N 2.99Å; A127-I130 PolarHBondContact O-N 2.84Å; A127-F131 PolarHBondContact O-N 3.16Å; A127-F131 VanDerWaalsContact O-N 3.07Å; A127-F213 HydrophobicContact CB-CE2 4.3Å; A127-I216 HydrophobicContact CB-CG2 4.19Å; A127-M217 HydrophobicContact CB-CB 4.4Å; A127-M217 HydrophobicContact CB-CG 3.56Å; A127-M217 HydrophobicContact CB-SD 3.62Å; A127-F220 HydrophobicContact CB-CD2 3.71Å; A127-F220 HydrophobicContact CB-CE2 3.94Å
128K94.9Very high95.1Very high32 Ų3218.2 Ų18.214%0.1399%0.091CC..Hα-helixtrans-66.7-38.2176.4-171.5155.2178.3158.80113.4F14 L16 M18 V124 Q125 R126 F131 I132 F213 L322F14-K128 PolarHBondContact O-NZ 3.44Å; L16-K128 PolarHBondContact O-NZ 3.29Å; M18-K128 HydrophobicContact CE-CD 3.57Å; M18-K128 HydrophobicContact CG-CD 3.61Å; M18-K128 HydrophobicContact CG-CG 4.38Å; M18-K128 HydrophobicContact SD-CB 4.19Å; M18-K128 HydrophobicContact SD-CD 3.82Å; V124-K128 PolarHBondContact O-N 3.03Å; Q125-K128 PolarHBondContact O-N 3.16Å; R126-K128 PolarHBondContact O-N 3.2Å; K128-F131 PolarHBondContact O-N 3.07Å; K128-I132 HydrophobicContact CG-CD1 3.83Å; K128-I132 HydrophobicContact CG-CG1 4.41Å; K128-I132 WeakPolarHBondContact O-CB 3.33Å; K128-I132 VanDerWaalsContact O-CG1 3.28Å; K128-I132 WeakPolarHBondContact O-CG1 3.21Å; K128-I132 PolarHBondContact O-N 3.47Å; K128-F213 HydrophobicContact CB-CE2 3.86Å; K128-F213 HydrophobicContact CB-CZ 4.02Å; K128-F213 HydrophobicContact CD-CZ 4.44Å; K128-F213 HydrophobicContact CG-CE2 4.41Å; K128-F213 HydrophobicContact CG-CZ 4.5Å; K128-L322 HydrophobicContact CB-CD1 4.36Å; K128-L322 HydrophobicContact CG-CD1 4.32Å
129K94.1Very high95Very high5 Ų524.3 Ų24.32%0.02212%0.119CC..Hα-helixtrans-64.3-40.6174.8-72-170.2-170.6128.10113Q125 R126 I132 G133 K155 S320 G321 L322Q125-K129 VanDerWaalsContact NE2-NZ 3.13Å; Q125-K129 WeakPolarHBondContact O-CG 3.38Å; Q125-K129 PolarHBondContact O-N 3.34Å; R126-K129 PolarHBondContact O-N 3.19Å; R126-K129 VanDerWaalsContact O-N 3.14Å; K129-I132 PolarHBondContact O-N 3.41Å; K129-G133 PolarHBondContact O-N 3.22Å; K129-K155 HydrophobicContact CB-CB 4.19Å; K129-K155 WeakPolarHBondContact CB-O 3.48Å; K129-K155 WeakPolarHBondContact CD-O 3.34Å; K129-K155 WeakPolarHBondContact O-CB 3.38Å; K129-S320 WeakPolarHBondContact CE-O 3.18Å; K129-S320 VanDerWaalsContact NZ-N 3.19Å; K129-S320 PolarHBondContact NZ-O 3.25Å; K129-G321 VanDerWaalsContact CE-O 3.24Å; K129-G321 WeakPolarHBondContact CE-O 3.14Å; K129-L322 HydrophobicContact CD-CD1 4.32Å; K129-L322 HydrophobicContact CG-CB 4.47Å; K129-L322 HydrophobicContact CG-CD1 3.38Å; K129-L322 HydrophobicContact CG-CG 3.91Å
130I97Very high95Very high0 Ų027.8 Ų27.80%014%0.137CC..Hα-helixtrans-62.3-49.7177.5-63.1171.3000109.2R126 A127 I132 G133 V134 A193 A194 Y197 F220R126-I130 HydrophobicContact CG-CD1 4.18Å; R126-I130 WeakPolarHBondContact O-CG1 3.23Å; R126-I130 PolarHBondContact O-N 2.74Å; A127-I130 PolarHBondContact O-N 2.84Å; I130-I132 PolarHBondContact O-N 2.87Å; I130-G133 PolarHBondContact O-N 3.3Å; I130-G133 VanDerWaalsContact O-N 3.09Å; I130-V134 HydrophobicContact CG2-CG2 4.36Å; I130-V134 WeakPolarHBondContact O-CG2 3.45Å; I130-V134 PolarHBondContact O-N 3.21Å; I130-A193 HydrophobicContact CD1-CB 4.05Å; I130-A193 HydrophobicContact CG2-CB 4.28Å; I130-A194 HydrophobicContact CG2-CB 3.86Å; I130-Y197 HydrophobicContact CB-CE2 4.39Å; I130-Y197 HydrophobicContact CG2-CD2 3.88Å; I130-Y197 HydrophobicContact CG2-CE2 4.02Å; I130-F220 HydrophobicContact CD1-CE2 3.57Å; I130-F220 HydrophobicContact CD1-CZ 3.63Å
131F95.9Very high94.9Very high24 Ų2430.2 Ų30.211%0.10515%0.145CC..Hα-helixtrans-53.3-54.4176.6169.1-103.1000111.7F14 A127 K128 G133 V134 H135 Y197 E209 F213F14-F131 HydrophobicContact CE2-CD1 4.02Å; F14-F131 AromaticContact CE2-CE1 3.54Å; F14-F131 HydrophobicContact CE2-CE1 3.54Å; F14-F131 HydrophobicContact CE2-CE2 4.14Å; F14-F131 AromaticContact CE2-CZ 3.65Å; F14-F131 HydrophobicContact CE2-CZ 3.65Å; F14-F131 HydrophobicContact CZ-CD1 4.43Å; F14-F131 AromaticContact CZ-CE1 3.55Å; F14-F131 HydrophobicContact CZ-CE1 3.55Å; F14-F131 HydrophobicContact CZ-CE2 4.42Å; F14-F131 AromaticContact CZ-CZ 3.57Å; F14-F131 HydrophobicContact CZ-CZ 3.57Å; A127-F131 PolarHBondContact O-N 3.16Å; A127-F131 VanDerWaalsContact O-N 3.07Å; K128-F131 PolarHBondContact O-N 3.07Å; F131-G133 VanDerWaalsContact C-N 3.26Å; F131-G133 PolarHBondContact O-N 3.22Å; F131-V134 PolarHBondContact O-N 3.43Å; F131-H135 PolarHBondContact O-N 2.89Å; F131-Y197 HydrophobicContact CB-CD2 4.47Å; F131-Y197 HydrophobicContact CB-CE1 4.17Å; F131-Y197 HydrophobicContact CB-CE2 3.93Å; F131-Y197 AromaticContact CD2-CD1 3.89Å; F131-Y197 HydrophobicContact CD2-CD1 3.89Å; F131-Y197 AromaticContact CD2-CE1 3.75Å; F131-Y197 HydrophobicContact CD2-CE1 3.75Å; F131-Y197 HydrophobicContact CD2-CG 4.49Å; F131-Y197 HydrophobicContact CG-CE1 4.38Å; F131-E209 VanDerWaalsContact CE2-CD 3.43Å; F131-E209 HydrophobicContact CE2-CG 3.73Å; F131-E209 WeakPolarHBondContact CE2-OE1 3.19Å; F131-E209 HydrophobicContact CZ-CG 4.34Å; F131-E209 WeakPolarHBondContact CZ-OE1 3.3Å; F131-F213 HydrophobicContact CB-CD2 4.32Å
132I94.5Very high94.6Very high31 Ų3131.6 Ų31.616%0.15916%0.157CC..Hα-helixtrans-59.6-37.9177.5-68.5167.6000111.2K128 K129 I130 H136 L322 A325K128-I132 HydrophobicContact CG-CD1 3.83Å; K128-I132 HydrophobicContact CG-CG1 4.41Å; K128-I132 WeakPolarHBondContact O-CB 3.33Å; K128-I132 VanDerWaalsContact O-CG1 3.28Å; K128-I132 WeakPolarHBondContact O-CG1 3.21Å; K128-I132 PolarHBondContact O-N 3.47Å; K129-I132 PolarHBondContact O-N 3.41Å; I130-I132 PolarHBondContact O-N 2.87Å; I132-H136 WeakPolarHBondContact O-CB 3.37Å; I132-H136 PolarHBondContact O-N 3.47Å; I132-L322 HydrophobicContact CD1-CD2 3.54Å; I132-L322 HydrophobicContact CD1-CG 4.21Å; I132-A325 HydrophobicContact CG2-CB 3.52Å
133G96Very high94.5Very high0 Ų040.1 Ų40.10%020%0.196CC..Hα-helixtrans-68.7-41.7179.800000113.7K129 I130 F131 H136 G137 L151 K155K129-G133 PolarHBondContact O-N 3.22Å; I130-G133 PolarHBondContact O-N 3.3Å; I130-G133 VanDerWaalsContact O-N 3.09Å; F131-G133 VanDerWaalsContact C-N 3.26Å; F131-G133 PolarHBondContact O-N 3.22Å; G133-H136 PolarHBondContact O-N 2.91Å; G133-G137 PolarHBondContact O-N 2.93Å; G133-L151 WeakPolarHBondContact O-CB 3.09Å; G133-K155 VanDerWaalsContact CA-CD 3.45Å
134V96.9Very high94.4Very high3 Ų341.7 Ų41.72%0.01821%0.208CC..Hα-helixtrans-63.8-47.4174.2176.80000110I130 F131 H136 G137 L138 A194I130-V134 HydrophobicContact CG2-CG2 4.36Å; I130-V134 WeakPolarHBondContact O-CG2 3.45Å; I130-V134 PolarHBondContact O-N 3.21Å; F131-V134 PolarHBondContact O-N 3.43Å; V134-H136 VanDerWaalsContact C-N 3.32Å; V134-H136 PolarHBondContact O-N 3.37Å; V134-G137 CarbonylContact O-C 3.6Å; V134-G137 WeakPolarHBondContact O-CA 2.98Å; V134-G137 PolarHBondContact O-N 3.11Å; V134-G137 VanDerWaalsContact O-N 3.1Å; V134-L138 HydrophobicContact CG1-CD1 4.13Å; V134-L138 HydrophobicContact CG1-CG 4.44Å; V134-L138 WeakPolarHBondContact O-CG 2.98Å; V134-L138 PolarHBondContact O-N 2.89Å; V134-A194 HydrophobicContact CG2-CB 3.98Å
135H95.4Very high94.3Very high104 Ų10443.6 Ų43.648%0.48122%0.22SC..Hα-helixtrans-64.3-35.9179.1-162.4-68.1000112.6F131 L138 H139F131-H135 PolarHBondContact O-N 2.89Å; H135-L138 PolarHBondContact O-N 3.49Å; H135-H139 PolarHBondContact O-N 3.41Å; H135-H139 VanDerWaalsContact O-N 3.14Å
136H94.3Very high94.4Very high59 Ų5948.2 Ų48.227%0.27325%0.248SC..Hα-helixtrans-63.9-41.5172.4-176.1-136.9000111.8I132 G133 V134 H139 L140I132-H136 WeakPolarHBondContact O-CB 3.37Å; I132-H136 PolarHBondContact O-N 3.47Å; G133-H136 PolarHBondContact O-N 2.91Å; V134-H136 VanDerWaalsContact C-N 3.32Å; V134-H136 PolarHBondContact O-N 3.37Å; H136-H139 PolarHBondContact O-N 3.32Å; H136-L140 VanDerWaalsContact NE2-CD1 3.34Å; H136-L140 WeakPolarHBondContact NE2-CD1 3.46Å; H136-L140 PolarHBondContact O-N 2.98Å; H136-L140 VanDerWaalsContact O-N 3.11Å
137G94.9Very high94.4Very high0 Ų051.4 Ų51.40%026%0.264CS..Hα-helixtrans-65.2-39.617500000113G133 V134 H139 L140 F141G133-G137 PolarHBondContact O-N 2.93Å; V134-G137 CarbonylContact O-C 3.6Å; V134-G137 WeakPolarHBondContact O-CA 2.98Å; V134-G137 PolarHBondContact O-N 3.11Å; V134-G137 VanDerWaalsContact O-N 3.1Å; G137-H139 VanDerWaalsContact C-N 3.29Å; G137-H139 PolarHBondContact O-N 3.15Å; G137-L140 PolarHBondContact O-N 3.41Å; G137-F141 CarbonylContact O-C 3.43Å; G137-F141 WeakPolarHBondContact O-CA 3.5Å; G137-F141 PolarHBondContact O-N 3.27Å
138L95Very high94.3Very high22 Ų2251.4 Ų51.412%0.11526%0.264CS..Hα-helixtrans-61.8-37.1175.8-73.5169.2000112.1V134 H135 P142 C148 Y198 H201V134-L138 HydrophobicContact CG1-CD1 4.13Å; V134-L138 HydrophobicContact CG1-CG 4.44Å; V134-L138 WeakPolarHBondContact O-CG 2.98Å; V134-L138 PolarHBondContact O-N 2.89Å; H135-L138 PolarHBondContact O-N 3.49Å; L138-P142 VanDerWaalsContact O-CA 3.23Å; L138-P142 WeakPolarHBondContact O-CA 3.16Å; L138-P142 WeakPolarHBondContact O-CB 3.4Å; L138-C148 HydrophobicContact CD2-CB 4.4Å; L138-C148 HydrophobicContact CG-CB 4.45Å; L138-C148 PolarHBondContact N-SG 2.98Å; L138-Y198 HydrophobicContact CD2-CD2 3.96Å; L138-Y198 HydrophobicContact CD2-CE2 3.79Å; L138-H201 HydrophobicContact CD1-CB 3.9Å; L138-H201 HydrophobicContact CD2-CB 4.48Å; L138-H201 WeakPolarHBondContact CD2-CD2 3.44Å
139H94Very high94.4Very high142 Ų14251 Ų5166%0.65726%0.264SS*.Hα-helixtrans-72.2-41.1177.3-174.8-83.1000112.9H135 H136 G137H135-H139 PolarHBondContact O-N 3.41Å; H135-H139 VanDerWaalsContact O-N 3.14Å; H136-H139 PolarHBondContact O-N 3.32Å; G137-H139 VanDerWaalsContact C-N 3.29Å; G137-H139 PolarHBondContact O-N 3.15Å
140L93.2Very high94.6Very high75 Ų7553.3 Ų53.339%0.39328%0.276SS..Hα-helixtrans-83.1-36.2-177.8-71176.8000113.6T73 H136 G137 P142T73-L140 HydrophobicContact CG2-CD1 3.59Å; H136-L140 VanDerWaalsContact NE2-CD1 3.34Å; H136-L140 WeakPolarHBondContact NE2-CD1 3.46Å; H136-L140 PolarHBondContact O-N 2.98Å; H136-L140 VanDerWaalsContact O-N 3.11Å; G137-L140 PolarHBondContact O-N 3.41Å; L140-P142 VanDerWaalsContact C-CD 3.49Å
141F92.6Very high94.5Very high70 Ų7053.3 Ų53.331%0.30728%0.276SS..  trans-132.960.8-173.7-53.6-71000110.8T73 G137 Q143 S144 M147T73-F141 HydrophobicContact CG2-CE2 4.33Å; G137-F141 CarbonylContact O-C 3.43Å; G137-F141 WeakPolarHBondContact O-CA 3.5Å; G137-F141 PolarHBondContact O-N 3.27Å; F141-Q143 PolarHBondContact O-N 3.03Å; F141-S144 PolarHBondContact O-N 3.02Å; F141-M147 HydrophobicContact CB-CB 3.88Å; F141-M147 HydrophobicContact CB-CG 4.43Å; F141-M147 HydrophobicContact CD2-CB 3.76Å; F141-M147 HydrophobicContact CD2-CG 4.3Å; F141-M147 HydrophobicContact CE2-CB 4.5Å; F141-M147 HydrophobicContact CG-CB 3.91Å; F141-M147 HydrophobicContact CG-CG 4.22Å
142P90Very high94.6Very high76 Ų7652.2 Ų52.249%0.49427%0.271SS..THydrogen-bonded Turntrans-58-27.5-17422-33.7000113.5L138 L140L138-P142 VanDerWaalsContact O-CA 3.23Å; L138-P142 WeakPolarHBondContact O-CA 3.16Å; L138-P142 WeakPolarHBondContact O-CB 3.4Å; L140-P142 VanDerWaalsContact C-CD 3.49Å
143Q90.4Very high94.7Very high179 Ų17952.1 Ų52.184%0.83627%0.271SS*.THydrogen-bonded Turntrans-88.3-8.1-178.8-58.2-58.9-28.900113.9F141 P145F141-Q143 PolarHBondContact O-N 3.03Å; Q143-P145 WeakPolarHBondContact O-CD 3.4Å
144S92.6Very high94.7Very high34 Ų3453 Ų5324%0.23828%0.276CS..  trans-112.699.6-173.5-170.40000112.2F141 V146 M147 C148F141-S144 PolarHBondContact O-N 3.02Å; S144-V146 PolarHBondContact O-N 3.06Å; S144-M147 PolarHBondContact O-N 3.25Å; S144-M147 WeakPolarHBondContact OG-CG 3.17Å; S144-M147 PolarHBondContact OG-N 3.29Å; S144-C148 PolarHBondContact O-N 2.91Å; S144-C148 PolarHBondContact O-SG 3Å
145P93.6Very high94.6Very high59 Ų5954.4 Ų54.438%0.38328%0.282SS..Hα-helixtrans-55.6-40.7172.618.3-31000112Q143 M147 C148 V149 Y198Q143-P145 WeakPolarHBondContact O-CD 3.4Å; P145-M147 PolarHBondContact O-N 3.49Å; P145-C148 PolarHBondContact O-N 3.35Å; P145-V149 WeakPolarHBondContact O-CG2 3.14Å; P145-V149 PolarHBondContact O-N 2.96Å; P145-Y198 HydrophobicContact CB-CD1 4.3Å; P145-Y198 HydrophobicContact CB-CE1 3.5Å; P145-Y198 HydrophobicContact CB-CE2 4.21Å; P145-Y198 VanDerWaalsContact CB-CZ 3.46Å; P145-Y198 WeakPolarHBondContact CB-OH 3.49Å
146V95.8Very high94.4Very high98 Ų9849.5 Ų49.559%0.59426%0.259SS*.Hα-helixtrans-61.5-47.5-176.9178.40000110.6S144 C148 V149 L150S144-V146 PolarHBondContact O-N 3.06Å; V146-C148 VanDerWaalsContact C-N 3.35Å; V146-C148 PolarHBondContact O-N 3.04Å; V146-V149 PolarHBondContact O-N 2.81Å; V146-L150 WeakPolarHBondContact O-CB 3.16Å; V146-L150 PolarHBondContact O-N 3.49Å
147M94.7Very high94.4Very high67 Ų6746.9 Ų46.933%0.3325%0.247SC..Hα-helixtrans-66.6-38.4180-63.5-57.9173.800111.7I72 F141 S144 P145 L150 L151I72-M147 HydrophobicContact CG2-SD 4.3Å; F141-M147 HydrophobicContact CB-CB 3.88Å; F141-M147 HydrophobicContact CB-CG 4.43Å; F141-M147 HydrophobicContact CD2-CB 3.76Å; F141-M147 HydrophobicContact CD2-CG 4.3Å; F141-M147 HydrophobicContact CE2-CB 4.5Å; F141-M147 HydrophobicContact CG-CB 3.91Å; F141-M147 HydrophobicContact CG-CG 4.22Å; S144-M147 PolarHBondContact O-N 3.25Å; S144-M147 WeakPolarHBondContact OG-CG 3.17Å; S144-M147 PolarHBondContact OG-N 3.29Å; P145-M147 PolarHBondContact O-N 3.49Å; M147-L150 PolarHBondContact O-N 2.86Å; M147-L150 HydrophobicContact SD-CD2 4.49Å; M147-L151 WeakPolarHBondContact O-CB 3.28Å; M147-L151 WeakPolarHBondContact O-CD1 3.41Å; M147-L151 PolarHBondContact O-N 3.11Å
148C95.7Very high94.2Very high0 Ų046.9 Ų46.90%025%0.248CC..Hα-helixtrans-60.9-50.8177.1-62.10000111.8L138 S144 P145 V146 L151 G152 Y198L138-C148 HydrophobicContact CD2-CB 4.4Å; L138-C148 HydrophobicContact CG-CB 4.45Å; L138-C148 PolarHBondContact N-SG 2.98Å; S144-C148 PolarHBondContact O-N 2.91Å; S144-C148 PolarHBondContact O-SG 3Å; P145-C148 PolarHBondContact O-N 3.35Å; V146-C148 VanDerWaalsContact C-N 3.35Å; V146-C148 PolarHBondContact O-N 3.04Å; C148-L151 PolarHBondContact O-N 3.14Å; C148-G152 PolarHBondContact O-N 3.35Å; C148-G152 VanDerWaalsContact O-N 3.12Å; C148-Y198 HydrophobicContact CB-CD2 3.74Å; C148-Y198 HydrophobicContact CB-CE2 4.04Å
149V97.1Very high93.9Very high22 Ų2246 Ų4613%0.13324%0.243CC..Hα-helixtrans-65-41178.5173.50000110.9P145 V146 G152 L153 L191 A194 I195 Y198P145-V149 WeakPolarHBondContact O-CG2 3.14Å; P145-V149 PolarHBondContact O-N 2.96Å; V146-V149 PolarHBondContact O-N 2.81Å; V149-G152 PolarHBondContact O-N 3.34Å; V149-L153 WeakPolarHBondContact O-CB 3.27Å; V149-L153 PolarHBondContact O-N 3.29Å; V149-L191 HydrophobicContact CG1-CD1 3.55Å; V149-A194 HydrophobicContact CG1-CB 4.04Å; V149-I195 HydrophobicContact CG1-CG1 3.85Å; V149-I195 HydrophobicContact CG2-CG1 4.27Å; V149-Y198 HydrophobicContact CG2-CG 4.23Å
150L96.3Very high93.7Very high55 Ų5539.3 Ų39.329%0.28821%0.212SC..Hα-helixtrans-65-43.3179.8-176.559.4000112.1I72 V146 M147 G152 L153 L154I72-L150 HydrophobicContact CD1-CD2 3.47Å; I72-L150 VanDerWaalsContact CD1-CD2 3.47Å; I72-L150 HydrophobicContact CD1-CG 3.89Å; V146-L150 WeakPolarHBondContact O-CB 3.16Å; V146-L150 PolarHBondContact O-N 3.49Å; M147-L150 PolarHBondContact O-N 2.86Å; M147-L150 HydrophobicContact SD-CD2 4.49Å; L150-G152 VanDerWaalsContact C-N 3.34Å; L150-G152 PolarHBondContact O-N 3.12Å; L150-L153 PolarHBondContact O-N 3.41Å; L150-L154 HydrophobicContact CD1-CD1 4.25Å; L150-L154 HydrophobicContact CD1-CG 4.18Å; L150-L154 HydrophobicContact CG-CD1 4.15Å; L150-L154 HydrophobicContact CG-CG 4.46Å; L150-L154 WeakPolarHBondContact O-CB 3.47Å; L150-L154 VanDerWaalsContact O-CG 3.31Å; L150-L154 WeakPolarHBondContact O-CG 3.46Å; L150-L154 PolarHBondContact O-N 3.43Å
151L96.5Very high93.5Very high0 Ų037.5 Ų37.50%020%0.202CC..Hα-helixtrans-63.9-39.3175.4-99.161.5000111.9I72 T73 G133 M147 C148 K155I72-L151 HydrophobicContact CB-CD1 4.33Å; I72-L151 HydrophobicContact CG2-CD1 3.85Å; T73-L151 HydrophobicContact CG2-CD1 4.34Å; T73-L151 HydrophobicContact CG2-CD2 3.73Å; T73-L151 HydrophobicContact CG2-CG 4.32Å; G133-L151 WeakPolarHBondContact O-CB 3.09Å; M147-L151 WeakPolarHBondContact O-CB 3.28Å; M147-L151 WeakPolarHBondContact O-CD1 3.41Å; M147-L151 PolarHBondContact O-N 3.11Å; C148-L151 PolarHBondContact O-N 3.14Å; L151-K155 WeakPolarHBondContact O-CB 3.15Å; L151-K155 PolarHBondContact O-N 3.3Å
152G96.8Very high93.4Very high0 Ų034.4 Ų34.40%019%0.188CC..Hα-helixtrans-59.7-49.1171.700000112.3C148 V149 L150 K155 G156C148-G152 PolarHBondContact O-N 3.35Å; C148-G152 VanDerWaalsContact O-N 3.12Å; V149-G152 PolarHBondContact O-N 3.34Å; L150-G152 VanDerWaalsContact C-N 3.34Å; L150-G152 PolarHBondContact O-N 3.12Å; G152-K155 PolarHBondContact O-N 3.39Å; G152-G156 PolarHBondContact O-N 3.06Å
153L96.5Very high93.3Very high30 Ų3032 Ų3216%0.15717%0.17CC..Hα-helixtrans-59.3-49177.4176.562000111.4V149 L150 G156 A157 T187 L191V149-L153 WeakPolarHBondContact O-CB 3.27Å; V149-L153 PolarHBondContact O-N 3.29Å; L150-L153 PolarHBondContact O-N 3.41Å; L153-G156 PolarHBondContact O-N 2.96Å; L153-A157 HydrophobicContact CD1-CB 4.06Å; L153-A157 WeakPolarHBondContact O-CA 3.44Å; L153-A157 WeakPolarHBondContact O-CB 3.33Å; L153-A157 PolarHBondContact O-N 3.29Å; L153-T187 HydrophobicContact CD1-CG2 4.05Å; L153-L191 HydrophobicContact CD1-CB 4.03Å; L153-L191 HydrophobicContact CD2-CD1 4.31Å
154L95.7Very high93.2Very high18 Ų1825.6 Ų25.69%0.09414%0.142CC..Hα-helixtrans-66.7-41.8-178.3-70.4177.9000112.1G65 L68 I72 L150 G156 G158G65-L154 WeakPolarHBondContact CA-O 3.36Å; L68-L154 HydrophobicContact CB-CB 4.42Å; L68-L154 HydrophobicContact CB-CD1 4.22Å; L68-L154 HydrophobicContact CB-CD2 4.07Å; L68-L154 HydrophobicContact CB-CG 4.48Å; L68-L154 HydrophobicContact CD1-CD2 4.08Å; I72-L154 HydrophobicContact CD1-CD1 3.26Å; I72-L154 HydrophobicContact CG1-CD1 3.88Å; L150-L154 HydrophobicContact CD1-CD1 4.25Å; L150-L154 HydrophobicContact CD1-CG 4.18Å; L150-L154 HydrophobicContact CG-CD1 4.15Å; L150-L154 HydrophobicContact CG-CG 4.46Å; L150-L154 WeakPolarHBondContact O-CB 3.47Å; L150-L154 VanDerWaalsContact O-CG 3.31Å; L150-L154 WeakPolarHBondContact O-CG 3.46Å; L150-L154 PolarHBondContact O-N 3.43Å; L154-G156 VanDerWaalsContact C-N 3.31Å; L154-G156 PolarHBondContact O-N 2.95Å; L154-G158 WeakPolarHBondContact O-CA 3.35Å; L154-G158 PolarHBondContact O-N 2.76Å
155K94.8Very high93.1Very high33 Ų3327.5 Ų27.514%0.14315%0.148CC..Hα-helixtrans-65.1-34.9175.6-83.2-172.6148.9790112.2S69 K129 G133 L151 G152S69-K155 PolarHBondContact OG-NZ 3.32Å; K129-K155 HydrophobicContact CB-CB 4.19Å; K129-K155 WeakPolarHBondContact CB-O 3.48Å; K129-K155 WeakPolarHBondContact CD-O 3.34Å; K129-K155 WeakPolarHBondContact O-CB 3.38Å; G133-K155 VanDerWaalsContact CA-CD 3.45Å; L151-K155 WeakPolarHBondContact O-CB 3.15Å; L151-K155 PolarHBondContact O-N 3.3Å; G152-K155 PolarHBondContact O-N 3.39Å
156G92.8Very high92.9Very high0 Ų024.7 Ų24.70%013%0.13CC..Hα-helixtrans-77.9-45.1177.400000115.2R126 G152 L153 L154 S319R126-G156 WeakPolarHBondContact CG-O 3.45Å; G152-G156 PolarHBondContact O-N 3.06Å; L153-G156 PolarHBondContact O-N 2.96Å; L154-G156 VanDerWaalsContact C-N 3.31Å; L154-G156 PolarHBondContact O-N 2.95Å; G156-S319 WeakPolarHBondContact O-CB 3.47Å; G156-S319 PolarHBondContact O-OG 3.2Å; G156-S319 VanDerWaalsContact O-OG 3.06Å
157A93.6Very high92.6Very high4 Ų420.7 Ų20.73%0.03310%0.104CC..Hα-helixtrans-124.74.8-16700000114.2L153 Y159 C160L153-A157 HydrophobicContact CD1-CB 4.06Å; L153-A157 WeakPolarHBondContact O-CA 3.44Å; L153-A157 WeakPolarHBondContact O-CB 3.33Å; L153-A157 PolarHBondContact O-N 3.29Å; A157-Y159 PolarHBondContact O-N 3.02Å; A157-C160 WeakPolarHBondContact O-CB 3.22Å; A157-C160 PolarHBondContact O-N 3.37Å
158G90.6Very high92.3Very high1 Ų122.3 Ų22.31%0.0111%0.114CC..Hα-helixtrans-62.5-21.1-175.100000115.4L68 L154 C160 E161 M162L68-G158 WeakPolarHBondContact CD1-O 3.29Å; L154-G158 WeakPolarHBondContact O-CA 3.35Å; L154-G158 PolarHBondContact O-N 2.76Å; G158-C160 PolarHBondContact O-N 2.91Å; G158-E161 PolarHBondContact O-N 2.76Å; G158-M162 PolarHBondContact O-N 3.07Å
159Y89.7Confident91.9Very high2 Ų224.7 Ų24.71%0.00813%0.128CC..Hα-helixtrans-59.7-29169.973.6-84.8000113.7M61 K122 A157 E161 M162 K163 T186 F317 N318 S319M61-Y159 HydrophobicContact CE-CD2 4.11Å; K122-Y159 PolarHBondContact NZ-OH 3.19Å; A157-Y159 PolarHBondContact O-N 3.02Å; Y159-E161 VanDerWaalsContact C-N 3.31Å; Y159-M162 CarbonylContact O-C 3.25Å; Y159-M162 PolarHBondContact O-N 3.07Å; Y159-K163 PolarHBondContact O-N 3.27Å; Y159-T186 HydrophobicContact CE1-CG2 4.21Å; Y159-T186 WeakPolarHBondContact OH-CG2 3.39Å; Y159-F317 VanDerWaalsContact CE2-C 3.49Å; Y159-F317 HydrophobicContact CE2-CB 4.5Å; Y159-F317 VanDerWaalsContact OH-C 3.24Å; Y159-F317 PolarHBondContact OH-O 3.26Å; Y159-N318 WeakPolarHBondContact CB-O 3.12Å; Y159-N318 WeakPolarHBondContact CD2-O 3.4Å; Y159-N318 WeakPolarHBondContact CE2-O 3.49Å; Y159-N318 VanDerWaalsContact CZ-C 3.4Å; Y159-N318 VanDerWaalsContact CZ-N 3.27Å; Y159-N318 PolarHBondContact OH-N 2.79Å; Y159-S319 WeakPolarHBondContact CD1-OG 3.33Å; Y159-S319 WeakPolarHBondContact CE1-OG 3.45Å; Y159-S319 VanDerWaalsContact CG-CA 3.43Å
160C88.8Confident91.3Very high3 Ų324.4 Ų24.42%0.0213%0.125CC..Hα-helixtrans-62.5-47.3179.6-840000108.3A157 G158 K163 E179A157-C160 WeakPolarHBondContact O-CB 3.22Å; A157-C160 PolarHBondContact O-N 3.37Å; G158-C160 PolarHBondContact O-N 2.91Å; C160-K163 WeakPolarHBondContact O-CB 3.38Å; C160-K163 PolarHBondContact O-N 3Å; C160-E179 VanDerWaalsContact CB-CD 3.47Å; C160-E179 HydrophobicContact CB-CG 3.72Å; C160-E179 VanDerWaalsContact CB-OE1 3.28Å; C160-E179 WeakPolarHBondContact CB-OE1 2.87Å; C160-E179 PolarHBondContact SG-OE1 3.08Å
161E88.5Confident90.6Very high37 Ų3725.2 Ų25.217%0.17315%0.146CC..Hα-helixtrans-66.7-40.8173.9-55.1-53.7154.600111.8L68 G158 Y159 K163 L164 E179 F180L68-E161 HydrophobicContact CD1-CB 3.86Å; G158-E161 PolarHBondContact O-N 2.76Å; Y159-E161 VanDerWaalsContact C-N 3.31Å; E161-K163 PolarHBondContact O-N 2.85Å; E161-L164 PolarHBondContact O-N 2.93Å; E161-L164 VanDerWaalsContact O-N 3.1Å; E161-E179 VanDerWaalsContact OE1-CB 3.27Å; E161-E179 WeakPolarHBondContact OE1-CB 3.34Å; E161-F180 WeakPolarHBondContact OE2-CD2 2.77Å; E161-F180 WeakPolarHBondContact OE2-CE2 3.35Å
162M90.4Very high89.7Confident4 Ų426.4 Ų26.42%0.0215%0.154CC..Hα-helixtrans-62.8-16.1177.3-158.857.668.700113L60 I67 L68 G158 Y159 L164 I165 Q166L60-M162 HydrophobicContact CB-CG 3.78Å; L60-M162 HydrophobicContact CB-SD 4.14Å; L60-M162 HydrophobicContact CD2-SD 4.18Å; L60-M162 VanDerWaalsContact O-CG 3.26Å; L60-M162 WeakPolarHBondContact O-CG 3.38Å; I67-M162 HydrophobicContact CB-CE 4.07Å; I67-M162 HydrophobicContact CG2-CE 3.84Å; L68-M162 HydrophobicContact CD1-CE 4.17Å; L68-M162 HydrophobicContact CD2-CE 3.92Å; L68-M162 HydrophobicContact CG-CE 3.68Å; G158-M162 PolarHBondContact O-N 3.07Å; Y159-M162 CarbonylContact O-C 3.25Å; Y159-M162 PolarHBondContact O-N 3.07Å; M162-L164 PolarHBondContact O-N 2.94Å; M162-I165 HydrophobicContact CE-CD1 4.19Å; M162-I165 PolarHBondContact O-N 3.19Å; M162-I165 HydrophobicContact SD-CB 3.75Å; M162-I165 HydrophobicContact SD-CD1 3.58Å; M162-I165 VanDerWaalsContact SD-CD1 3.58Å; M162-I165 HydrophobicContact SD-CG1 4.18Å; M162-I165 HydrophobicContact SD-CG2 4Å; M162-Q166 VanDerWaalsContact O-CG 3.27Å; M162-Q166 WeakPolarHBondContact O-CG 3.48Å; M162-Q166 PolarHBondContact O-N 3.27Å
163K88.7Confident88.7Confident26 Ų2633.3 Ų33.311%0.11318%0.18CC..Hα-helixtrans-60.7-32.1173.8-162.8174.9-171.61710112.6M61 Y159 C160 E161 Q166 R167 S316M61-K163 HydrophobicContact SD-CB 3.89Å; M61-K163 HydrophobicContact SD-CG 4.05Å; Y159-K163 PolarHBondContact O-N 3.27Å; C160-K163 WeakPolarHBondContact O-CB 3.38Å; C160-K163 PolarHBondContact O-N 3Å; E161-K163 PolarHBondContact O-N 2.85Å; K163-Q166 WeakPolarHBondContact O-CG 2.86Å; K163-R167 WeakPolarHBondContact O-CB 3.33Å; K163-R167 WeakPolarHBondContact O-CD 3.32Å; K163-R167 WeakPolarHBondContact O-CG 3.19Å; K163-R167 PolarHBondContact O-N 3.08Å; K163-S316 PolarHBondContact NZ-O 3.06Å; K163-S316 PolarHBondContact NZ-OG 2.83Å
164L88.1Confident87.6Confident45 Ų4535.7 Ų35.724%0.23619%0.192CC..Hα-helixtrans-70.1-46.4174.8-179.660.2000110.9E161 M162 R167 L168 W173 N178E161-L164 PolarHBondContact O-N 2.93Å; E161-L164 VanDerWaalsContact O-N 3.1Å; M162-L164 PolarHBondContact O-N 2.94Å; L164-R167 WeakPolarHBondContact O-CB 3.17Å; L164-R167 PolarHBondContact O-N 3.34Å; L164-L168 PolarHBondContact O-N 3.25Å; L164-W173 HydrophobicContact CD1-CE3 4.28Å; L164-W173 HydrophobicContact CD1-CH2 4.13Å; L164-W173 HydrophobicContact CD1-CZ3 3.85Å; L164-W173 HydrophobicContact CD2-CH2 4.38Å; L164-W173 HydrophobicContact CG-CH2 4.45Å; L164-W173 HydrophobicContact CG-CZ3 4.23Å; L164-N178 WeakPolarHBondContact CD1-OD1 3.42Å; L164-N178 WeakPolarHBondContact CD2-OD1 3.39Å
165I90.2Very high86Confident74 Ų7437.7 Ų37.738%0.37921%0.206SC..Hα-helixtrans-65.8-43.6-177.5-60.6172000110.6L60 M162 R167 L168 V169L60-I165 HydrophobicContact CD1-CG2 4.12Å; M162-I165 HydrophobicContact CE-CD1 4.19Å; M162-I165 PolarHBondContact O-N 3.19Å; M162-I165 HydrophobicContact SD-CB 3.75Å; M162-I165 HydrophobicContact SD-CD1 3.58Å; M162-I165 VanDerWaalsContact SD-CD1 3.58Å; M162-I165 HydrophobicContact SD-CG1 4.18Å; M162-I165 HydrophobicContact SD-CG2 4Å; I165-R167 VanDerWaalsContact C-N 3.28Å; I165-R167 PolarHBondContact O-N 2.96Å; I165-L168 WeakPolarHBondContact O-CB 3.24Å; I165-L168 PolarHBondContact O-N 3.43Å; I165-L168 VanDerWaalsContact O-N 3.15Å; I165-V169 WeakPolarHBondContact O-CG2 3.11Å; I165-V169 PolarHBondContact O-N 3.1Å
166Q90.1Very high84.8Confident0 Ų039.9 Ų39.90%023%0.23CC..Hα-helixtrans-69.5-23.9178.470.3101.710.800113.5D37 A57 L60 M61 M162 K163 R170D37-Q166 PolarHBondContact OD2-NE2 3.38Å; A57-Q166 HydrophobicContact CB-CB 3.94Å; L60-Q166 HydrophobicContact CB-CB 4.34Å; M61-Q166 HydrophobicContact CG-CB 4.31Å; M61-Q166 HydrophobicContact CG-CG 3.73Å; M61-Q166 HydrophobicContact SD-CG 3.55Å; M61-Q166 VanDerWaalsContact SD-CG 3.55Å; M162-Q166 VanDerWaalsContact O-CG 3.27Å; M162-Q166 WeakPolarHBondContact O-CG 3.48Å; M162-Q166 PolarHBondContact O-N 3.27Å; K163-Q166 WeakPolarHBondContact O-CG 2.86Å; Q166-R170 WeakPolarHBondContact O-CG 3.34Å; Q166-R170 PolarHBondContact O-N 3.46Å; Q166-R170 PolarHBondContact O-NE 3.19Å; Q166-R170 VanDerWaalsContact OE1-NE 3.16Å
167R88.9Confident83.4Confident13 Ų1343.7 Ų43.75%0.04925%0.253CS..Hα-helixtrans-70.1-44168.9-77.9169.9174.4177.6-6.1110.6D37 K163 L164 I165 V169 R170 G171 V172D37-R167 IonicContact OD1-CZ 2.82Å; D37-R167 IonicContact OD1-NE 3.41Å; D37-R167 PolarHBondContact OD1-NE 3.39Å; D37-R167 IonicContact OD1-NH2 2.73Å; D37-R167 PolarHBondContact OD1-NH2 2.87Å; D37-R167 VanDerWaalsContact OD2-CG 3.22Å; D37-R167 WeakPolarHBondContact OD2-CG 3.04Å; D37-R167 IonicContact OD2-CZ 2.68Å; D37-R167 IonicContact OD2-NE 2.84Å; D37-R167 PolarHBondContact OD2-NE 3.29Å; D37-R167 IonicContact OD2-NH2 3.68Å; K163-R167 WeakPolarHBondContact O-CB 3.33Å; K163-R167 WeakPolarHBondContact O-CD 3.32Å; K163-R167 WeakPolarHBondContact O-CG 3.19Å; K163-R167 PolarHBondContact O-N 3.08Å; L164-R167 WeakPolarHBondContact O-CB 3.17Å; L164-R167 PolarHBondContact O-N 3.34Å; I165-R167 VanDerWaalsContact C-N 3.28Å; I165-R167 PolarHBondContact O-N 2.96Å; R167-V169 PolarHBondContact O-N 3.14Å; R167-R170 CarbonylContact O-C 3.58Å; R167-R170 PolarHBondContact O-N 3.31Å; R167-G171 PolarHBondContact O-N 3.49Å; R167-V172 CarbonylContact C-O 3.04Å; R167-V172 VanDerWaalsContact CB-O 3.32Å; R167-V172 WeakPolarHBondContact CB-O 3.1Å; R167-V172 PolarHBondContact O-N 3.38Å
168L89Confident82.1Confident101 Ų10145.6 Ų45.653%0.52926%0.263SS..Hα-helixtrans-58.4-44.2174.6-178.666.7000112.1L164 I165 R170 G171 V172 W173L164-L168 PolarHBondContact O-N 3.25Å; I165-L168 WeakPolarHBondContact O-CB 3.24Å; I165-L168 PolarHBondContact O-N 3.43Å; I165-L168 VanDerWaalsContact O-N 3.15Å; L168-R170 PolarHBondContact O-N 3.4Å; L168-R170 VanDerWaalsContact O-N 3.17Å; L168-G171 PolarHBondContact O-N 3.32Å; L168-V172 PolarHBondContact N-O 3.03Å; L168-W173 HydrophobicContact CB-CE3 4.38Å; L168-W173 HydrophobicContact CB-CZ3 4.38Å; L168-W173 HydrophobicContact CD1-CE3 3.86Å; L168-W173 HydrophobicContact CD1-CZ3 4.13Å; L168-W173 HydrophobicContact CD2-CZ3 4.47Å
169V86.9Confident81.2Confident51 Ų5146.2 Ų46.231%0.30927%0.266SS..Hα-helixtrans-59.1-26.6175.9168.20000113.1S53 L56 L60 I165 R167S53-V169 PolarHBondContact OG-O 3.03Å; L56-V169 HydrophobicContact CB-CG1 4.28Å; L56-V169 HydrophobicContact CD2-CG1 3.8Å; L56-V169 HydrophobicContact CG-CG1 4.06Å; L60-V169 HydrophobicContact CD1-CG2 3.77Å; I165-V169 WeakPolarHBondContact O-CG2 3.11Å; I165-V169 PolarHBondContact O-N 3.1Å; R167-V169 PolarHBondContact O-N 3.14Å
170R84Confident80Confident16 Ų1654.4 Ų54.46%0.0630%0.302CS..THydrogen-bonded Turntrans-92.53.6176.6-66.7178.7-69.1143.77.2113.2V34 D37 T38 F46 A57 Q166 R167 L168 V172V34-R170 PolarHBondContact O-NH1 3.44Å; D37-R170 PolarHBondContact O-NH1 3.05Å; D37-R170 IonicContact OD2-CZ 3.85Å; D37-R170 IonicContact OD2-NH1 3.37Å; D37-R170 IonicContact OD2-NH2 2.72Å; D37-R170 PolarHBondContact OD2-NH2 3.1Å; T38-R170 PolarHBondContact OG1-NH1 3.16Å; T38-R170 VanDerWaalsContact OG1-NH1 3.08Å; F46-R170 HydrophobicContact CE1-CB 4.24Å; F46-R170 HydrophobicContact CE1-CG 3.77Å; F46-R170 HydrophobicContact CE2-CB 4.48Å; F46-R170 HydrophobicContact CZ-CB 3.71Å; F46-R170 HydrophobicContact CZ-CG 3.72Å; A57-R170 HydrophobicContact CB-CG 3.85Å; Q166-R170 WeakPolarHBondContact O-CG 3.34Å; Q166-R170 PolarHBondContact O-N 3.46Å; Q166-R170 PolarHBondContact O-NE 3.19Å; Q166-R170 VanDerWaalsContact OE1-NE 3.16Å; R167-R170 CarbonylContact O-C 3.58Å; R167-R170 PolarHBondContact O-N 3.31Å; L168-R170 PolarHBondContact O-N 3.4Å; L168-R170 VanDerWaalsContact O-N 3.17Å; R170-V172 VanDerWaalsContact C-N 3.28Å; R170-V172 PolarHBondContact O-N 2.86Å
171G82.4Confident78.6Confident71 Ų7159.5 Ų59.573%0.73233%0.328SS*.THydrogen-bonded Turntrans73.716.8-177.200000114R167 L168R167-G171 PolarHBondContact O-N 3.49Å; L168-G171 PolarHBondContact O-N 3.32Å
172V78.1Confident77.9Confident26 Ų2664.3 Ų64.316%0.15835%0.351CS..  trans-105.7116.9179.91780000108.2P39 R167 L168 R170 L174P39-V172 HydrophobicContact CG-CG1 4.06Å; P39-V172 HydrophobicContact CG-CG2 4.05Å; R167-V172 CarbonylContact C-O 3.04Å; R167-V172 VanDerWaalsContact CB-O 3.32Å; R167-V172 WeakPolarHBondContact CB-O 3.1Å; R167-V172 PolarHBondContact O-N 3.38Å; L168-V172 PolarHBondContact N-O 3.03Å; R170-V172 VanDerWaalsContact C-N 3.28Å; R170-V172 PolarHBondContact O-N 2.86Å; V172-L174 HydrophobicContact CG1-CD1 3.28Å
173W74.3Confident77.2Confident145 Ų14566.2 Ų66.255%0.54936%0.363SS..  trans-113103.7176.8-171.9-108.6000110.5L164 L168 P175L164-W173 HydrophobicContact CD1-CE3 4.28Å; L164-W173 HydrophobicContact CD1-CH2 4.13Å; L164-W173 HydrophobicContact CD1-CZ3 3.85Å; L164-W173 HydrophobicContact CD2-CH2 4.38Å; L164-W173 HydrophobicContact CG-CH2 4.45Å; L164-W173 HydrophobicContact CG-CZ3 4.23Å; L168-W173 HydrophobicContact CB-CE3 4.38Å; L168-W173 HydrophobicContact CB-CZ3 4.38Å; L168-W173 HydrophobicContact CD1-CE3 3.86Å; L168-W173 HydrophobicContact CD1-CZ3 4.13Å; L168-W173 HydrophobicContact CD2-CZ3 4.47Å; W173-P175 HydrophobicContact CZ2-CB 4.2Å; W173-P175 WeakPolarHBondContact O-CD 3.49Å
174L73.6Confident76.9Confident79 Ų7965.8 Ų65.841%0.41436%0.362SS..  trans-119.281.6173-85.583.2000109.3V172 A176 T177V172-L174 HydrophobicContact CG1-CD1 3.28Å; L174-A176 PolarHBondContact O-N 3.12Å; L174-T177 PolarHBondContact O-N 3.19Å
175P62.9Low76.8Confident61 Ų6164 Ų6440%0.39635%0.353SS..G310 helixtrans-72.3-18.9-175.229.8-34.5000112.8W173 T177 N178W173-P175 HydrophobicContact CZ2-CB 4.2Å; W173-P175 WeakPolarHBondContact O-CD 3.49Å; P175-T177 PolarHBondContact O-N 2.66Å; P175-N178 PolarHBondContact O-ND2 3.24Å; P175-N178 PolarHBondContact O-OD1 3.31Å
176A68.3Low76.7Confident78 Ų7860.5 Ų60.565%0.64534%0.335SS*.G310 helixtrans-69.2-10.3177.800000113.3L174L174-A176 PolarHBondContact O-N 3.12Å
177T63.8Low76.7Confident80 Ų8061.2 Ų61.249%0.49134%0.339SS..G310 helixtrans-115.346.5-177.4-29.50000111.2L174 P175L174-T177 PolarHBondContact O-N 3.19Å; P175-T177 PolarHBondContact O-N 2.66Å
178N66.2Low76.8Confident44 Ų4462.2 Ų62.224%0.23534%0.344CS..  trans-87.8139.2175.9-68.4-20.4000110.8L164 P175 F180 L181 H182L164-N178 WeakPolarHBondContact CD1-OD1 3.42Å; L164-N178 WeakPolarHBondContact CD2-OD1 3.39Å; P175-N178 PolarHBondContact O-ND2 3.24Å; P175-N178 PolarHBondContact O-OD1 3.31Å; N178-F180 VanDerWaalsContact C-N 3.3Å; N178-F180 PolarHBondContact O-N 3.4Å; N178-L181 HydrophobicContact CB-CB 4.43Å; N178-L181 PolarHBondContact O-N 3.48Å; N178-L181 VanDerWaalsContact O-N 3.08Å; N178-H182 PolarHBondContact O-N 2.67Å
179E72.7Confident77Confident14 Ų1457.6 Ų57.67%0.06532%0.32CS..THydrogen-bonded Turntrans-66.9-31.1178.3-76.1-93-174.200112.6C160 E161 L181 H182 P183 T184 T187C160-E179 VanDerWaalsContact CB-CD 3.47Å; C160-E179 HydrophobicContact CB-CG 3.72Å; C160-E179 VanDerWaalsContact CB-OE1 3.28Å; C160-E179 WeakPolarHBondContact CB-OE1 2.87Å; C160-E179 PolarHBondContact SG-OE1 3.08Å; E161-E179 VanDerWaalsContact OE1-CB 3.27Å; E161-E179 WeakPolarHBondContact OE1-CB 3.34Å; E179-L181 PolarHBondContact O-N 3.26Å; E179-H182 CarbonylContact O-C 3.59Å; E179-H182 VanDerWaalsContact O-C 3.25Å; E179-H182 PolarHBondContact O-N 3.27Å; E179-P183 VanDerWaalsContact O-CA 3.23Å; E179-P183 WeakPolarHBondContact O-CA 3.05Å; E179-T184 VanDerWaalsContact CD-CG2 3.41Å; E179-T184 WeakPolarHBondContact OE1-CG2 3.42Å; E179-T184 PolarHBondContact OE1-OG1 2.64Å; E179-T184 WeakPolarHBondContact OE2-CB 3.21Å; E179-T184 VanDerWaalsContact OE2-CG2 3.22Å; E179-T184 WeakPolarHBondContact OE2-CG2 3.14Å; E179-T184 PolarHBondContact OE2-N 3.46Å; E179-T184 PolarHBondContact OE2-OG1 2.91Å; E179-T187 PolarHBondContact OE2-OG1 3.27Å
180F64.4Low77.4Confident175 Ų17555.2 Ų55.277%0.76831%0.305SS*.THydrogen-bonded Turntrans-59.7-30.9170.2-71.3-69.9000113.7E161 N178E161-F180 WeakPolarHBondContact OE2-CD2 2.77Å; E161-F180 WeakPolarHBondContact OE2-CE2 3.35Å; N178-F180 VanDerWaalsContact C-N 3.3Å; N178-F180 PolarHBondContact O-N 3.4Å
181L59.2Low77.9Confident109 Ų10957.6 Ų57.657%0.57132%0.319SS*.THydrogen-bonded Turntrans-84.4-40.5-178.1-170.265.9000111.6N178 E179N178-L181 HydrophobicContact CB-CB 4.43Å; N178-L181 PolarHBondContact O-N 3.48Å; N178-L181 VanDerWaalsContact O-N 3.08Å; E179-L181 PolarHBondContact O-N 3.26Å
182H72.8Confident78.5Confident139 Ų13958.5 Ų58.564%0.64431%0.307SS*.SBendtrans-13486.2177.4-70.5-63.2000109.7N178 E179 T184N178-H182 PolarHBondContact O-N 2.67Å; E179-H182 CarbonylContact O-C 3.59Å; E179-H182 VanDerWaalsContact O-C 3.25Å; E179-H182 PolarHBondContact O-N 3.27Å; H182-T184 PolarHBondContact O-N 2.99Å; H182-T184 VanDerWaalsContact O-N 3.16Å
183P75.8Confident79.4Confident43 Ų4357.6 Ų57.628%0.27930%0.302SS..  trans-61.4122.6-178.720.4-30.2000109.5E179 K188E179-P183 VanDerWaalsContact O-CA 3.23Å; E179-P183 WeakPolarHBondContact O-CA 3.05Å; P183-K188 HydrophobicContact CB-CG 4.33Å; P183-K188 WeakPolarHBondContact O-CE 3.36Å; P183-K188 PolarHBondContact O-NZ 2.9Å; P183-K188 VanDerWaalsContact O-NZ 3.07Å
184T82.3Confident80.5Confident17 Ų1750.7 Ų50.710%0.10428%0.275CS..  trans-70.1159.8-179.759.30000111.1E179 H182 T186 T187 K188 F317E179-T184 VanDerWaalsContact CD-CG2 3.41Å; E179-T184 WeakPolarHBondContact OE1-CG2 3.42Å; E179-T184 PolarHBondContact OE1-OG1 2.64Å; E179-T184 WeakPolarHBondContact OE2-CB 3.21Å; E179-T184 VanDerWaalsContact OE2-CG2 3.22Å; E179-T184 WeakPolarHBondContact OE2-CG2 3.14Å; E179-T184 PolarHBondContact OE2-N 3.46Å; E179-T184 PolarHBondContact OE2-OG1 2.91Å; H182-T184 PolarHBondContact O-N 2.99Å; H182-T184 VanDerWaalsContact O-N 3.16Å; T184-T186 PolarHBondContact O-N 3.05Å; T184-T187 PolarHBondContact O-N 2.84Å; T184-T187 PolarHBondContact OG1-OG1 2.92Å; T184-K188 WeakPolarHBondContact O-CG 3.36Å; T184-K188 PolarHBondContact O-N 2.95Å; T184-F317 HydrophobicContact CG2-CD1 4.06Å; T184-F317 HydrophobicContact CG2-CE1 3.32Å; T184-F317 HydrophobicContact CG2-CZ 3.74Å
185F86.2Confident81.7Confident7 Ų750.2 Ų50.23%0.03127%0.273CS..Hα-helixtrans-45.3-38.5169.4-179.4-99.8000113.5K188 I189 L223 D234 P235 F236F185-K188 PolarHBondContact O-N 3.18Å; F185-I189 HydrophobicContact CE1-CD1 4.27Å; F185-I189 HydrophobicContact CE1-CG2 4.34Å; F185-I189 HydrophobicContact CZ-CD1 4.02Å; F185-I189 WeakPolarHBondContact O-CB 3.35Å; F185-I189 WeakPolarHBondContact O-CG2 3.13Å; F185-I189 PolarHBondContact O-N 2.72Å; F185-L223 HydrophobicContact CE1-CB 4.16Å; F185-L223 HydrophobicContact CZ-CB 3.83Å; F185-L223 HydrophobicContact CZ-CD1 4Å; F185-L223 HydrophobicContact CZ-CG 4.34Å; F185-D234 HydrophobicContact CB-CB 4.38Å; F185-D234 WeakPolarHBondContact CB-OD1 3.28Å; F185-D234 PolarHBondContact N-OD2 3.35Å; F185-P235 HydrophobicContact CD2-CG 4.31Å; F185-P235 HydrophobicContact CE2-CG 3.74Å; F185-F236 AromaticContact CD2-CD2 3.59Å; F185-F236 HydrophobicContact CD2-CD2 3.59Å; F185-F236 AromaticContact CD2-CE2 3.79Å; F185-F236 HydrophobicContact CD2-CE2 3.79Å; F185-F236 AromaticContact CE2-CD2 3.54Å; F185-F236 HydrophobicContact CE2-CD2 3.54Å; F185-F236 AromaticContact CE2-CE2 3.31Å; F185-F236 HydrophobicContact CE2-CE2 3.31Å; F185-F236 HydrophobicContact CE2-CZ 4.46Å; F185-F236 HydrophobicContact CZ-CE2 4.18Å
186T88.2Confident83.3Confident1 Ų148.6 Ų48.61%0.00626%0.264CS..Hα-helixtrans-66.1-46.7-179.1-54.70000111.4R126 Y159 T184 S190R126-T186 VanDerWaalsContact NH1-CG2 3.26Å; Y159-T186 HydrophobicContact CE1-CG2 4.21Å; Y159-T186 WeakPolarHBondContact OH-CG2 3.39Å; T184-T186 PolarHBondContact O-N 3.05Å; T186-S190 WeakPolarHBondContact O-CB 3.39Å; T186-S190 PolarHBondContact O-N 3.21Å; T186-S190 PolarHBondContact O-OG 3.12Å
187T90.8Very high84.6Confident15 Ų1545.3 Ų45.39%0.09224%0.235CC..Hα-helixtrans-62.4-44.9176.9-53.90000110.5L153 E179 T184 S190 L191L153-T187 HydrophobicContact CD1-CG2 4.05Å; E179-T187 PolarHBondContact OE2-OG1 3.27Å; T184-T187 PolarHBondContact O-N 2.84Å; T184-T187 PolarHBondContact OG1-OG1 2.92Å; T187-S190 PolarHBondContact O-N 2.73Å; T187-L191 WeakPolarHBondContact O-CB 3.44Å; T187-L191 PolarHBondContact O-N 3.02Å
188K91.2Very high86.1Confident35 Ų3543 Ų4315%0.15222%0.218CC..Hα-helixtrans-59.1-53.2178.5-71.6171.8174.31610112.6P183 T184 F185 S190 L191 L192 E240P183-K188 HydrophobicContact CB-CG 4.33Å; P183-K188 WeakPolarHBondContact O-CE 3.36Å; P183-K188 PolarHBondContact O-NZ 2.9Å; P183-K188 VanDerWaalsContact O-NZ 3.07Å; T184-K188 WeakPolarHBondContact O-CG 3.36Å; T184-K188 PolarHBondContact O-N 2.95Å; F185-K188 PolarHBondContact O-N 3.18Å; K188-S190 VanDerWaalsContact C-N 3.3Å; K188-S190 PolarHBondContact O-N 2.91Å; K188-L191 WeakPolarHBondContact O-CB 3.26Å; K188-L191 PolarHBondContact O-N 3.37Å; K188-L192 WeakPolarHBondContact O-CG 3.46Å; K188-L192 PolarHBondContact O-N 3.02Å; K188-E240 WeakPolarHBondContact CE-OE1 2.65Å; K188-E240 IonicContact NZ-OE1 3.55Å; K188-E240 PolarHBondContact NZ-OE1 3.26Å; K188-E240 IonicContact NZ-OE2 2.9Å; K188-E240 PolarHBondContact NZ-OE2 3.19Å
189I93.2Very high87.4Confident4 Ų442.6 Ų42.62%0.02122%0.218CC..Hα-helixtrans-70.5-30.5-177.4-153.5-175.1000112F185 L192 A193 F220 L223F185-I189 HydrophobicContact CE1-CD1 4.27Å; F185-I189 HydrophobicContact CE1-CG2 4.34Å; F185-I189 HydrophobicContact CZ-CD1 4.02Å; F185-I189 WeakPolarHBondContact O-CB 3.35Å; F185-I189 WeakPolarHBondContact O-CG2 3.13Å; F185-I189 PolarHBondContact O-N 2.72Å; I189-L192 PolarHBondContact O-N 3.04Å; I189-A193 WeakPolarHBondContact O-CB 3.07Å; I189-A193 PolarHBondContact O-N 3.4Å; I189-F220 HydrophobicContact CB-CE1 4.36Å; I189-F220 HydrophobicContact CD1-CD1 3.64Å; I189-F220 HydrophobicContact CD1-CE1 3.75Å; I189-F220 HydrophobicContact CG1-CD1 4.15Å; I189-F220 HydrophobicContact CG1-CE1 3.71Å; I189-F220 HydrophobicContact CG2-CD1 4.45Å; I189-F220 HydrophobicContact CG2-CE1 4.01Å; I189-F220 HydrophobicContact CG2-CZ 4.34Å; I189-L223 HydrophobicContact CD1-CD1 3.27Å
190S94.9Very high88.5Confident0 Ų043.2 Ų43.20%022%0.221CC..Hα-helixtrans-69.2-38.3174.9-57.80000111.5R126 T186 T187 K188 A193 A194R126-S190 WeakPolarHBondContact CD-OG 3.44Å; T186-S190 WeakPolarHBondContact O-CB 3.39Å; T186-S190 PolarHBondContact O-N 3.21Å; T186-S190 PolarHBondContact O-OG 3.12Å; T187-S190 PolarHBondContact O-N 2.73Å; K188-S190 VanDerWaalsContact C-N 3.3Å; K188-S190 PolarHBondContact O-N 2.91Å; S190-A193 PolarHBondContact O-N 3.31Å; S190-A194 WeakPolarHBondContact O-CB 3.38Å; S190-A194 PolarHBondContact O-N 3.15Å
191L95.1Very high89.8Confident67 Ų6739.6 Ų39.635%0.35121%0.206SC..Hα-helixtrans-63-47.9172.7177.161.3000111V149 L153 T187 K188 A193 A194 I195V149-L191 HydrophobicContact CG1-CD1 3.55Å; L153-L191 HydrophobicContact CD1-CB 4.03Å; L153-L191 HydrophobicContact CD2-CD1 4.31Å; T187-L191 WeakPolarHBondContact O-CB 3.44Å; T187-L191 PolarHBondContact O-N 3.02Å; K188-L191 WeakPolarHBondContact O-CB 3.26Å; K188-L191 PolarHBondContact O-N 3.37Å; L191-A193 VanDerWaalsContact C-N 3.31Å; L191-A193 PolarHBondContact O-N 3.2Å; L191-A194 PolarHBondContact O-N 3.38Å; L191-A194 VanDerWaalsContact O-N 3.15Å; L191-I195 HydrophobicContact CD1-CD1 4.11Å; L191-I195 HydrophobicContact CD1-CG1 4.34Å; L191-I195 HydrophobicContact CG-CD1 3.98Å; L191-I195 WeakPolarHBondContact O-CG1 3.11Å; L191-I195 PolarHBondContact O-N 2.92Å
192L95.2Very high91.3Very high90 Ų9038.4 Ų38.447%0.47120%0.2SC..Hα-helixtrans-59.4-41.4176.8-71.1174.2000112K188 I189 I195 A196 F236K188-L192 WeakPolarHBondContact O-CG 3.46Å; K188-L192 PolarHBondContact O-N 3.02Å; I189-L192 PolarHBondContact O-N 3.04Å; L192-I195 PolarHBondContact O-N 2.83Å; L192-A196 WeakPolarHBondContact O-CB 3.33Å; L192-A196 PolarHBondContact O-N 3.31Å; L192-F236 HydrophobicContact CD1-CE1 4.19Å; L192-F236 HydrophobicContact CD1-CZ 3.97Å
193A97.1Very high92.1Very high6 Ų638.7 Ų38.75%0.0521%0.206CC..Hα-helixtrans-65.3-40.817500000112.4I130 I189 S190 L191 I195 A196 Y197 I216 F220I130-A193 HydrophobicContact CD1-CB 4.05Å; I130-A193 HydrophobicContact CG2-CB 4.28Å; I189-A193 WeakPolarHBondContact O-CB 3.07Å; I189-A193 PolarHBondContact O-N 3.4Å; S190-A193 PolarHBondContact O-N 3.31Å; L191-A193 VanDerWaalsContact C-N 3.31Å; L191-A193 PolarHBondContact O-N 3.2Å; A193-I195 VanDerWaalsContact C-N 3.34Å; A193-I195 PolarHBondContact O-N 3.02Å; A193-A196 PolarHBondContact O-N 3.49Å; A193-Y197 WeakPolarHBondContact O-CD2 3.19Å; A193-Y197 PolarHBondContact O-N 3.43Å; A193-I216 HydrophobicContact CB-CD1 4.3Å; A193-I216 HydrophobicContact CB-CG2 3.8Å; A193-F220 HydrophobicContact CB-CE1 3.91Å; A193-F220 HydrophobicContact CB-CZ 3.5Å; A193-F220 VanDerWaalsContact CB-CZ 3.5Å
194A97.5Very high92.8Very high0 Ų042 Ų420%022%0.22CC..Hα-helixtrans-62.8-41.6176.200000111.7I130 V134 V149 S190 L191 Y198I130-A194 HydrophobicContact CG2-CB 3.86Å; V134-A194 HydrophobicContact CG2-CB 3.98Å; V149-A194 HydrophobicContact CG1-CB 4.04Å; S190-A194 WeakPolarHBondContact O-CB 3.38Å; S190-A194 PolarHBondContact O-N 3.15Å; L191-A194 PolarHBondContact O-N 3.38Å; L191-A194 VanDerWaalsContact O-N 3.15Å; A194-Y198 PolarHBondContact O-N 3.38Å
195I96.9Very high93.1Very high70 Ų7043.4 Ų43.436%0.35923%0.226SC..Hα-helixtrans-62.2-45.1172.8-65.9166000110.3V149 L191 L192 A193 Y197 Y198 C199V149-I195 HydrophobicContact CG1-CG1 3.85Å; V149-I195 HydrophobicContact CG2-CG1 4.27Å; L191-I195 HydrophobicContact CD1-CD1 4.11Å; L191-I195 HydrophobicContact CD1-CG1 4.34Å; L191-I195 HydrophobicContact CG-CD1 3.98Å; L191-I195 WeakPolarHBondContact O-CG1 3.11Å; L191-I195 PolarHBondContact O-N 2.92Å; L192-I195 PolarHBondContact O-N 2.83Å; A193-I195 VanDerWaalsContact C-N 3.34Å; A193-I195 PolarHBondContact O-N 3.02Å; I195-Y197 PolarHBondContact O-N 2.89Å; I195-Y198 PolarHBondContact O-N 3.24Å; I195-Y198 VanDerWaalsContact O-N 3.14Å; I195-C199 PolarHBondContact O-N 2.99Å; I195-C199 PolarHBondContact O-SG 3.01Å; I195-C199 VanDerWaalsContact O-SG 3.34Å
196A96.5Very high93.2Very high26 Ų2648.9 Ų48.922%0.21526%0.263CS..Hα-helixtrans-60.3-44.9179.300000112.5L192 A193 Y198 C199 H200 I205 I216L192-A196 WeakPolarHBondContact O-CB 3.33Å; L192-A196 PolarHBondContact O-N 3.31Å; A193-A196 PolarHBondContact O-N 3.49Å; A196-Y198 VanDerWaalsContact C-N 3.31Å; A196-Y198 PolarHBondContact O-N 3.36Å; A196-C199 PolarHBondContact O-N 3.03Å; A196-H200 WeakPolarHBondContact O-CB 3.26Å; A196-H200 PolarHBondContact O-N 3.44Å; A196-I205 WeakPolarHBondContact O-CD1 2.88Å; A196-I216 HydrophobicContact CB-CD1 4.19Å
197Y96.2Very high93.3Very high9 Ų952 Ų524%0.03528%0.279CS..Hα-helixtrans-63.5-36.7174.2-72.7-60000112.5I130 F131 A193 I195 H200 H201 L212 F213 I216I130-Y197 HydrophobicContact CB-CE2 4.39Å; I130-Y197 HydrophobicContact CG2-CD2 3.88Å; I130-Y197 HydrophobicContact CG2-CE2 4.02Å; F131-Y197 HydrophobicContact CB-CD2 4.47Å; F131-Y197 HydrophobicContact CB-CE1 4.17Å; F131-Y197 HydrophobicContact CB-CE2 3.93Å; F131-Y197 AromaticContact CD2-CD1 3.89Å; F131-Y197 HydrophobicContact CD2-CD1 3.89Å; F131-Y197 AromaticContact CD2-CE1 3.75Å; F131-Y197 HydrophobicContact CD2-CE1 3.75Å; F131-Y197 HydrophobicContact CD2-CG 4.49Å; F131-Y197 HydrophobicContact CG-CE1 4.38Å; A193-Y197 WeakPolarHBondContact O-CD2 3.19Å; A193-Y197 PolarHBondContact O-N 3.43Å; I195-Y197 PolarHBondContact O-N 2.89Å; Y197-H200 WeakPolarHBondContact O-CB 3.5Å; Y197-H200 PolarHBondContact O-N 3.05Å; Y197-H201 PolarHBondContact O-N 3.07Å; Y197-H201 VanDerWaalsContact O-N 3.14Å; Y197-L212 HydrophobicContact CD1-CD2 3.73Å; Y197-L212 HydrophobicContact CD1-CG 4.19Å; Y197-L212 HydrophobicContact CE1-CD2 4.11Å; Y197-L212 HydrophobicContact CE1-CG 4.05Å; Y197-F213 WeakPolarHBondContact OH-CA 3.43Å; Y197-F213 WeakPolarHBondContact OH-CD2 3.32Å; Y197-I216 HydrophobicContact CD1-CD1 4.29Å; Y197-I216 HydrophobicContact CD2-CD1 4.11Å; Y197-I216 HydrophobicContact CE1-CD1 3.83Å; Y197-I216 HydrophobicContact CE2-CD1 3.63Å; Y197-I216 HydrophobicContact CE2-CG2 4.41Å; Y197-I216 HydrophobicContact CG-CD1 4.41Å; Y197-I216 VanDerWaalsContact CZ-CD1 3.46Å
198Y95.4Very high93.3Very high33 Ų3354.5 Ų54.513%0.12930%0.295CS..Hα-helixtrans-68.9-41.5175.5-174.6-99.9000112.2L138 P145 C148 V149 A194 I195 A196 H200 H201 L202L138-Y198 HydrophobicContact CD2-CD2 3.96Å; L138-Y198 HydrophobicContact CD2-CE2 3.79Å; P145-Y198 HydrophobicContact CB-CD1 4.3Å; P145-Y198 HydrophobicContact CB-CE1 3.5Å; P145-Y198 HydrophobicContact CB-CE2 4.21Å; P145-Y198 VanDerWaalsContact CB-CZ 3.46Å; P145-Y198 WeakPolarHBondContact CB-OH 3.49Å; C148-Y198 HydrophobicContact CB-CD2 3.74Å; C148-Y198 HydrophobicContact CB-CE2 4.04Å; V149-Y198 HydrophobicContact CG2-CG 4.23Å; A194-Y198 PolarHBondContact O-N 3.38Å; I195-Y198 PolarHBondContact O-N 3.24Å; I195-Y198 VanDerWaalsContact O-N 3.14Å; A196-Y198 VanDerWaalsContact C-N 3.31Å; A196-Y198 PolarHBondContact O-N 3.36Å; Y198-H200 VanDerWaalsContact C-N 3.26Å; Y198-H200 PolarHBondContact O-N 3.29Å; Y198-H201 WeakPolarHBondContact O-CB 3.48Å; Y198-H201 PolarHBondContact O-N 2.7Å; Y198-H201 VanDerWaalsContact O-N 3.15Å; Y198-L202 HydrophobicContact CD1-CD1 4.18Å; Y198-L202 HydrophobicContact CE1-CD1 3.69Å; Y198-L202 HydrophobicContact CE1-CD2 4.46Å; Y198-L202 HydrophobicContact CE1-CG 4.09Å; Y198-L202 PolarHBondContact O-N 3.22Å
199C94.5Very high93.3Very high34 Ų3455.9 Ų55.923%0.2330%0.302CS..Hα-helixtrans-63.4-32.9174.2-70.20000112.6I195 A196 L202 I204 I205I195-C199 PolarHBondContact O-N 2.99Å; I195-C199 PolarHBondContact O-SG 3.01Å; I195-C199 VanDerWaalsContact O-SG 3.34Å; A196-C199 PolarHBondContact O-N 3.03Å; C199-L202 PolarHBondContact O-N 2.82Å; C199-I204 HydrophobicContact CB-CB 4.49Å; C199-I204 HydrophobicContact CB-CD1 4.49Å; C199-I204 WeakPolarHBondContact O-CB 3.47Å; C199-I204 PolarHBondContact O-N 3.46Å; C199-I204 VanDerWaalsContact O-N 3.17Å; C199-I205 HydrophobicContact CB-CD1 4.03Å; C199-I205 HydrophobicContact CB-CG1 4.33Å
200H94.2Very high93.3Very high27 Ų2757.4 Ų57.413%0.12531%0.311CS..Hα-helixtrans-64.1-41.3171.8174.6-94.2000112.1A196 Y197 Y198 L202 D203 I205 L207 L212A196-H200 WeakPolarHBondContact O-CB 3.26Å; A196-H200 PolarHBondContact O-N 3.44Å; Y197-H200 WeakPolarHBondContact O-CB 3.5Å; Y197-H200 PolarHBondContact O-N 3.05Å; Y198-H200 VanDerWaalsContact C-N 3.26Å; Y198-H200 PolarHBondContact O-N 3.29Å; H200-L202 PolarHBondContact O-N 2.96Å; H200-D203 PolarHBondContact O-N 3.1Å; H200-I205 HydrophobicContact CB-CB 4.35Å; H200-I205 HydrophobicContact CB-CD1 4.43Å; H200-I205 PolarHBondContact CD2-O 2.94Å; H200-L207 PolarHBondContact CD2-O 2.87Å; H200-L207 PolarHBondContact NE2-O 3.07Å; H200-L212 HydrophobicContact CB-CD2 3.38Å
201H91.6Very high93.2Very high100 Ų10059.7 Ų59.746%0.46332%0.322SS..Hα-helixtrans-61.6-27.2172.4177.669000113.6L138 Y197 Y198 D203L138-H201 HydrophobicContact CD1-CB 3.9Å; L138-H201 HydrophobicContact CD2-CB 4.48Å; L138-H201 WeakPolarHBondContact CD2-CD2 3.44Å; Y197-H201 PolarHBondContact O-N 3.07Å; Y197-H201 VanDerWaalsContact O-N 3.14Å; Y198-H201 WeakPolarHBondContact O-CB 3.48Å; Y198-H201 PolarHBondContact O-N 2.7Å; Y198-H201 VanDerWaalsContact O-N 3.15Å; H201-D203 PolarHBondContact O-N 3.3Å
202L91.6Very high93.1Very high84 Ų8457.1 Ų57.144%0.4431%0.308SS..THydrogen-bonded Turntrans-82.49.1173.8-63.4179.2000113.6Y198 C199 H200 I204Y198-L202 HydrophobicContact CD1-CD1 4.18Å; Y198-L202 HydrophobicContact CE1-CD1 3.69Å; Y198-L202 HydrophobicContact CE1-CD2 4.46Å; Y198-L202 HydrophobicContact CE1-CG 4.09Å; Y198-L202 PolarHBondContact O-N 3.22Å; C199-L202 PolarHBondContact O-N 2.82Å; H200-L202 PolarHBondContact O-N 2.96Å; L202-I204 HydrophobicContact CB-CD1 3.89Å; L202-I204 HydrophobicContact CB-CG1 3.89Å; L202-I204 HydrophobicContact CD1-CD1 3.96Å; L202-I204 PolarHBondContact O-N 3.33Å
203D89.6Confident93.1Very high145 Ų14552.8 Ų52.878%0.77529%0.285SS*.THydrogen-bonded Turntrans57.217.2-175.3-61.6-57.7000114.4H200 H201 I205H200-D203 PolarHBondContact O-N 3.1Å; H201-D203 PolarHBondContact O-N 3.3Å; D203-I205 VanDerWaalsContact C-N 3.3Å
204I90.9Very high93Very high113 Ų11353.8 Ų53.858%0.57929%0.29SS*.  trans-71.6-31177.3-60.6172.2000110.4C199 L202 P206C199-I204 HydrophobicContact CB-CB 4.49Å; C199-I204 HydrophobicContact CB-CD1 4.49Å; C199-I204 WeakPolarHBondContact O-CB 3.47Å; C199-I204 PolarHBondContact O-N 3.46Å; C199-I204 VanDerWaalsContact O-N 3.17Å; L202-I204 HydrophobicContact CB-CD1 3.89Å; L202-I204 HydrophobicContact CB-CG1 3.89Å; L202-I204 HydrophobicContact CD1-CD1 3.96Å; L202-I204 PolarHBondContact O-N 3.33Å; I204-P206 WeakPolarHBondContact O-CD 3.35Å
205I88.8Confident92.9Very high45 Ų4557.4 Ų57.423%0.23131%0.312CS..SBendtrans-105104.8179.8-56.4176.1000108A196 C199 H200 D203 L207A196-I205 WeakPolarHBondContact O-CD1 2.88Å; C199-I205 HydrophobicContact CB-CD1 4.03Å; C199-I205 HydrophobicContact CB-CG1 4.33Å; H200-I205 HydrophobicContact CB-CB 4.35Å; H200-I205 HydrophobicContact CB-CD1 4.43Å; H200-I205 PolarHBondContact CD2-O 2.94Å; D203-I205 VanDerWaalsContact C-N 3.3Å; I205-L207 HydrophobicContact CG2-CB 4.18Å; I205-L207 HydrophobicContact CG2-CD1 4.05Å; I205-L207 PolarHBondContact O-N 3.5Å
206P88.7Confident92.8Very high122 Ų12254.6 Ų54.679%0.79230%0.297SS*.  trans-80.648.3-175.335.3-38.2000112.2I204I204-P206 WeakPolarHBondContact O-CD 3.35Å
207L88.6Confident92.8Very high66 Ų6653.7 Ų53.735%0.34629%0.289SS..SBendtrans-113.1147.7174.3-87.669.7000109.4H200 I205 Q211H200-L207 PolarHBondContact CD2-O 2.87Å; H200-L207 PolarHBondContact NE2-O 3.07Å; I205-L207 HydrophobicContact CG2-CB 4.18Å; I205-L207 HydrophobicContact CG2-CD1 4.05Å; I205-L207 PolarHBondContact O-N 3.5Å; L207-Q211 HydrophobicContact CD2-CB 4.49Å
208P91.5Very high92.7Very high68 Ų6857.3 Ų57.344%0.44231%0.312SS..  trans-64.1146.3166.928.6-33.9000110.4N210 Q211 L212P208-N210 VanDerWaalsContact C-N 3.25Å; P208-N210 PolarHBondContact O-N 2.96Å; P208-Q211 VanDerWaalsContact CD-OE1 3.31Å; P208-Q211 HydrophobicContact CG-CB 3.89Å; P208-Q211 HydrophobicContact CG-CG 3.57Å; P208-Q211 WeakPolarHBondContact O-CB 3.47Å; P208-Q211 PolarHBondContact O-N 2.84Å; P208-L212 PolarHBondContact O-N 2.79Å; P208-L212 VanDerWaalsContact O-N 3.12Å
209E90.8Very high92.7Very high64 Ų6459.4 Ų59.430%0.29933%0.325SS..Hα-helixtrans-55.4-39.9-174-170178.3112.400112.8F14 F131 Q211 L212 F213F14-E209 WeakPolarHBondContact CZ-OE1 3.43Å; F131-E209 VanDerWaalsContact CE2-CD 3.43Å; F131-E209 HydrophobicContact CE2-CG 3.73Å; F131-E209 WeakPolarHBondContact CE2-OE1 3.19Å; F131-E209 HydrophobicContact CZ-CG 4.34Å; F131-E209 WeakPolarHBondContact CZ-OE1 3.3Å; E209-Q211 VanDerWaalsContact C-N 3.34Å; E209-Q211 PolarHBondContact O-N 3.42Å; E209-L212 PolarHBondContact O-N 2.87Å; E209-F213 WeakPolarHBondContact O-CB 3.23Å; E209-F213 PolarHBondContact O-N 3.46Å
210N92.8Very high92.8Very high37 Ų3758 Ų5820%0.19831%0.314CS..Hα-helixtrans-64-39.3-179.9-57.5-15.3000111.5A10 D11 F14 P208 F213 L214A10-N210 HydrophobicContact CB-CB 4.04Å; D11-N210 PolarHBondContact OD1-ND2 3.44Å; F14-N210 HydrophobicContact CB-CB 4.43Å; F14-N210 WeakPolarHBondContact CD1-OD1 3.35Å; F14-N210 WeakPolarHBondContact CG-OD1 3.17Å; P208-N210 VanDerWaalsContact C-N 3.25Å; P208-N210 PolarHBondContact O-N 2.96Å; N210-F213 PolarHBondContact O-N 3.34Å; N210-L214 PolarHBondContact O-N 3.24Å
211Q92.6Very high92.8Very high48 Ų4858 Ų5822%0.22432%0.316CS..Hα-helixtrans-68.8-42175.7-74-179.56.900111.3D7 L207 P208 E209 F213 L214 V215D7-Q211 PolarHBondContact OD1-NE2 3.32Å; L207-Q211 HydrophobicContact CD2-CB 4.49Å; P208-Q211 VanDerWaalsContact CD-OE1 3.31Å; P208-Q211 HydrophobicContact CG-CB 3.89Å; P208-Q211 HydrophobicContact CG-CG 3.57Å; P208-Q211 WeakPolarHBondContact O-CB 3.47Å; P208-Q211 PolarHBondContact O-N 2.84Å; E209-Q211 VanDerWaalsContact C-N 3.34Å; E209-Q211 PolarHBondContact O-N 3.42Å; Q211-F213 VanDerWaalsContact C-N 3.3Å; Q211-F213 PolarHBondContact O-N 2.93Å; Q211-L214 WeakPolarHBondContact O-CB 3.47Å; Q211-L214 PolarHBondContact O-N 3.34Å; Q211-V215 WeakPolarHBondContact O-CG2 3.46Å; Q211-V215 PolarHBondContact O-N 2.85Å
212L94.1Very high92.9Very high12 Ų1260 Ų606%0.06332%0.321CS..Hα-helixtrans-60-43.9175.8178.962.9000111.1Y197 H200 P208 E209 L214 V215 I216Y197-L212 HydrophobicContact CD1-CD2 3.73Å; Y197-L212 HydrophobicContact CD1-CG 4.19Å; Y197-L212 HydrophobicContact CE1-CD2 4.11Å; Y197-L212 HydrophobicContact CE1-CG 4.05Å; H200-L212 HydrophobicContact CB-CD2 3.38Å; P208-L212 PolarHBondContact O-N 2.79Å; P208-L212 VanDerWaalsContact O-N 3.12Å; E209-L212 PolarHBondContact O-N 2.87Å; L212-L214 PolarHBondContact O-N 2.91Å; L212-V215 PolarHBondContact O-N 2.95Å; L212-I216 HydrophobicContact CD1-CD1 3.9Å; L212-I216 HydrophobicContact CD1-CG1 4.3Å; L212-I216 HydrophobicContact CG-CD1 3.97Å; L212-I216 WeakPolarHBondContact O-CG1 3.5Å; L212-I216 PolarHBondContact O-N 3.32Å
213F95.1Very high93Very high0 Ų057.7 Ų57.70%031%0.309CS..Hα-helixtrans-57.4-48.2173.7174.8-103.3000111.6L13 F14 A127 K128 F131 Y197 E209 N210 Q211 V215 I216 M217L13-F213 HydrophobicContact CB-CE1 4.43Å; F14-F213 HydrophobicContact CB-CD1 4.23Å; F14-F213 HydrophobicContact CD2-CB 4.02Å; F14-F213 AromaticContact CD2-CD1 3.88Å; F14-F213 HydrophobicContact CD2-CD1 3.88Å; F14-F213 AromaticContact CD2-CG 3.88Å; F14-F213 HydrophobicContact CD2-CG 3.88Å; F14-F213 HydrophobicContact CE2-CB 4.49Å; A127-F213 HydrophobicContact CB-CE2 4.3Å; K128-F213 HydrophobicContact CB-CE2 3.86Å; K128-F213 HydrophobicContact CB-CZ 4.02Å; K128-F213 HydrophobicContact CD-CZ 4.44Å; K128-F213 HydrophobicContact CG-CE2 4.41Å; K128-F213 HydrophobicContact CG-CZ 4.5Å; F131-F213 HydrophobicContact CB-CD2 4.32Å; Y197-F213 WeakPolarHBondContact OH-CA 3.43Å; Y197-F213 WeakPolarHBondContact OH-CD2 3.32Å; E209-F213 WeakPolarHBondContact O-CB 3.23Å; E209-F213 PolarHBondContact O-N 3.46Å; N210-F213 PolarHBondContact O-N 3.34Å; Q211-F213 VanDerWaalsContact C-N 3.3Å; Q211-F213 PolarHBondContact O-N 2.93Å; F213-V215 PolarHBondContact O-N 3.15Å; F213-I216 PolarHBondContact O-N 3.39Å; F213-M217 HydrophobicContact CD1-CG 4.08Å; F213-M217 HydrophobicContact CD2-CG 4.06Å; F213-M217 HydrophobicContact CE1-CE 3.82Å; F213-M217 HydrophobicContact CE1-CG 3.71Å; F213-M217 HydrophobicContact CE1-SD 3.93Å; F213-M217 HydrophobicContact CE2-CG 3.63Å; F213-M217 HydrophobicContact CE2-SD 3.84Å; F213-M217 HydrophobicContact CG-CG 4.25Å; F213-M217 HydrophobicContact CZ-CE 3.77Å; F213-M217 HydrophobicContact CZ-CG 3.47Å; F213-M217 VanDerWaalsContact CZ-CG 3.47Å; F213-M217 HydrophobicContact CZ-SD 3.34Å; F213-M217 WeakPolarHBondContact CZ-SD 3.09Å; F213-M217 VanDerWaalsContact O-CB 3.23Å; F213-M217 WeakPolarHBondContact O-CB 3.46Å; F213-M217 WeakPolarHBondContact O-CG 3.29Å; F213-M217 PolarHBondContact O-N 2.86Å
214L94.3Very high93Very high27 Ų2751.3 Ų51.314%0.14127%0.274CS..Hα-helixtrans-58.6-46.9176.6-178.2157.6000111.6V9 A10 L13 N210 Q211 L212 I216 M217 V218V9-L214 HydrophobicContact CB-CD1 4.38Å; V9-L214 HydrophobicContact CG1-CD1 3.85Å; A10-L214 HydrophobicContact CB-CB 4.18Å; A10-L214 HydrophobicContact CB-CD1 3.8Å; L13-L214 HydrophobicContact CD1-CD1 4.24Å; L13-L214 HydrophobicContact CD1-CG 4.35Å; N210-L214 PolarHBondContact O-N 3.24Å; Q211-L214 WeakPolarHBondContact O-CB 3.47Å; Q211-L214 PolarHBondContact O-N 3.34Å; L212-L214 PolarHBondContact O-N 2.91Å; L214-I216 PolarHBondContact O-N 3.13Å; L214-M217 WeakPolarHBondContact O-CB 3.29Å; L214-M217 PolarHBondContact O-N 2.72Å; L214-V218 HydrophobicContact CD2-CG2 3.97Å; L214-V218 HydrophobicContact CG-CG2 4.41Å; L214-V218 WeakPolarHBondContact O-CB 3.5Å; L214-V218 WeakPolarHBondContact O-CG2 3.47Å; L214-V218 PolarHBondContact O-N 3.4Å
215V95.2Very high93Very high76 Ų7648.7 Ų48.746%0.46126%0.261SS..Hα-helixtrans-60.6-48.7-179.5169.80000110.8Q211 L212 F213 M217 V218 L219Q211-V215 WeakPolarHBondContact O-CG2 3.46Å; Q211-V215 PolarHBondContact O-N 2.85Å; L212-V215 PolarHBondContact O-N 2.95Å; F213-V215 PolarHBondContact O-N 3.15Å; V215-M217 VanDerWaalsContact C-N 3.34Å; V215-M217 PolarHBondContact O-N 3.46Å; V215-V218 PolarHBondContact O-N 3.12Å; V215-L219 WeakPolarHBondContact O-CB 3.17Å; V215-L219 PolarHBondContact O-N 3.08Å
216I96.3Very high93Very high11 Ų1148.1 Ų48.16%0.05626%0.259CS..Hα-helixtrans-63.6-41.9179-70.4171.4000110.9A127 A193 A196 Y197 L212 F213 L214 L219 F220A127-I216 HydrophobicContact CB-CG2 4.19Å; A193-I216 HydrophobicContact CB-CD1 4.3Å; A193-I216 HydrophobicContact CB-CG2 3.8Å; A196-I216 HydrophobicContact CB-CD1 4.19Å; Y197-I216 HydrophobicContact CD1-CD1 4.29Å; Y197-I216 HydrophobicContact CD2-CD1 4.11Å; Y197-I216 HydrophobicContact CE1-CD1 3.83Å; Y197-I216 HydrophobicContact CE2-CD1 3.63Å; Y197-I216 HydrophobicContact CE2-CG2 4.41Å; Y197-I216 HydrophobicContact CG-CD1 4.41Å; Y197-I216 VanDerWaalsContact CZ-CD1 3.46Å; L212-I216 HydrophobicContact CD1-CD1 3.9Å; L212-I216 HydrophobicContact CD1-CG1 4.3Å; L212-I216 HydrophobicContact CG-CD1 3.97Å; L212-I216 WeakPolarHBondContact O-CG1 3.5Å; L212-I216 PolarHBondContact O-N 3.32Å; F213-I216 PolarHBondContact O-N 3.39Å; L214-I216 PolarHBondContact O-N 3.13Å; I216-L219 PolarHBondContact O-N 3.17Å; I216-F220 HydrophobicContact CG2-CD1 4.14Å; I216-F220 HydrophobicContact CG2-CD2 4.46Å; I216-F220 HydrophobicContact CG2-CE1 3.82Å; I216-F220 HydrophobicContact CG2-CE2 4.16Å; I216-F220 HydrophobicContact CG2-CG 4.47Å; I216-F220 HydrophobicContact CG2-CZ 3.86Å; I216-F220 WeakPolarHBondContact O-CB 3.27Å; I216-F220 VanDerWaalsContact O-CD1 3.29Å; I216-F220 WeakPolarHBondContact O-CD1 3.48Å; I216-F220 VanDerWaalsContact O-CG 3.3Å; I216-F220 WeakPolarHBondContact O-CG 3.5Å; I216-F220 PolarHBondContact O-N 2.83Å
217M95.2Very high93Very high7 Ų743.5 Ų43.53%0.03423%0.227CC..Hα-helixtrans-59.1-53.1176.3-78.2-99-67.500112.4V124 A127 F213 L214 V215 L219 F220 V221V124-M217 WeakPolarHBondContact CA-SD 3.43Å; V124-M217 HydrophobicContact CB-CE 3.86Å; V124-M217 HydrophobicContact CB-SD 3.83Å; V124-M217 HydrophobicContact CG1-CE 3.29Å; V124-M217 HydrophobicContact CG1-SD 3.58Å; V124-M217 VanDerWaalsContact CG1-SD 3.58Å; V124-M217 HydrophobicContact CG2-CE 3.71Å; V124-M217 HydrophobicContact CG2-SD 4.05Å; A127-M217 HydrophobicContact CB-CB 4.4Å; A127-M217 HydrophobicContact CB-CG 3.56Å; A127-M217 HydrophobicContact CB-SD 3.62Å; F213-M217 HydrophobicContact CD1-CG 4.08Å; F213-M217 HydrophobicContact CD2-CG 4.06Å; F213-M217 HydrophobicContact CE1-CE 3.82Å; F213-M217 HydrophobicContact CE1-CG 3.71Å; F213-M217 HydrophobicContact CE1-SD 3.93Å; F213-M217 HydrophobicContact CE2-CG 3.63Å; F213-M217 HydrophobicContact CE2-SD 3.84Å; F213-M217 HydrophobicContact CG-CG 4.25Å; F213-M217 HydrophobicContact CZ-CE 3.77Å; F213-M217 HydrophobicContact CZ-CG 3.47Å; F213-M217 VanDerWaalsContact CZ-CG 3.47Å; F213-M217 HydrophobicContact CZ-SD 3.34Å; F213-M217 WeakPolarHBondContact CZ-SD 3.09Å; F213-M217 VanDerWaalsContact O-CB 3.23Å; F213-M217 WeakPolarHBondContact O-CB 3.46Å; F213-M217 WeakPolarHBondContact O-CG 3.29Å; F213-M217 PolarHBondContact O-N 2.86Å; L214-M217 WeakPolarHBondContact O-CB 3.29Å; L214-M217 PolarHBondContact O-N 2.72Å; V215-M217 VanDerWaalsContact C-N 3.34Å; V215-M217 PolarHBondContact O-N 3.46Å; M217-L219 VanDerWaalsContact C-N 3.3Å; M217-L219 PolarHBondContact O-N 3.49Å; M217-F220 PolarHBondContact O-N 3.24Å; M217-V221 WeakPolarHBondContact O-CG2 3.39Å; M217-V221 PolarHBondContact O-N 2.8Å
218V95.3Very high92.9Very high85 Ų8542.5 Ų42.552%0.51522%0.222SC..Hα-helixtrans-61.5-42.71791710000110L214 V215 F220 V221 Y222L214-V218 HydrophobicContact CD2-CG2 3.97Å; L214-V218 HydrophobicContact CG-CG2 4.41Å; L214-V218 WeakPolarHBondContact O-CB 3.5Å; L214-V218 WeakPolarHBondContact O-CG2 3.47Å; L214-V218 PolarHBondContact O-N 3.4Å; V215-V218 PolarHBondContact O-N 3.12Å; V218-F220 PolarHBondContact O-N 3.47Å; V218-V221 PolarHBondContact O-N 2.97Å; V218-Y222 WeakPolarHBondContact O-CB 3.46Å; V218-Y222 PolarHBondContact O-N 3.46Å
219L95.3Very high92.9Very high77 Ų7744.8 Ų44.840%0.40323%0.23SC..Hα-helixtrans-59.6-44.9176.7-177.365.6000111.9V215 I216 M217 L223V215-L219 WeakPolarHBondContact O-CB 3.17Å; V215-L219 PolarHBondContact O-N 3.08Å; I216-L219 PolarHBondContact O-N 3.17Å; M217-L219 VanDerWaalsContact C-N 3.3Å; M217-L219 PolarHBondContact O-N 3.49Å; L219-L223 HydrophobicContact CD1-CD1 3.6Å; L219-L223 HydrophobicContact CD1-CG 4.06Å; L219-L223 HydrophobicContact CD2-CD1 4.47Å; L219-L223 HydrophobicContact CG-CD1 3.69Å; L219-L223 HydrophobicContact CG-CG 4.46Å; L219-L223 WeakPolarHBondContact O-CB 3.35Å; L219-L223 VanDerWaalsContact O-CG 3.26Å; L219-L223 WeakPolarHBondContact O-CG 3.26Å; L219-L223 PolarHBondContact O-N 3.07Å
220F95.8Very high92.6Very high3 Ų346.4 Ų46.41%0.01324%0.24CC..Hα-helixtrans-62-49.5178.2-79.611.3000111.9E123 R126 A127 I130 I189 A193 I216 M217 V218 R224E123-F220 HydrophobicContact CB-CB 4.23Å; R126-F220 HydrophobicContact CB-CD2 4.46Å; R126-F220 HydrophobicContact CB-CE2 4.49Å; R126-F220 HydrophobicContact CG-CD2 4.45Å; R126-F220 HydrophobicContact CG-CE2 4.06Å; R126-F220 VanDerWaalsContact NH2-CD1 3.33Å; A127-F220 HydrophobicContact CB-CD2 3.71Å; A127-F220 HydrophobicContact CB-CE2 3.94Å; I130-F220 HydrophobicContact CD1-CE2 3.57Å; I130-F220 HydrophobicContact CD1-CZ 3.63Å; I189-F220 HydrophobicContact CB-CE1 4.36Å; I189-F220 HydrophobicContact CD1-CD1 3.64Å; I189-F220 HydrophobicContact CD1-CE1 3.75Å; I189-F220 HydrophobicContact CG1-CD1 4.15Å; I189-F220 HydrophobicContact CG1-CE1 3.71Å; I189-F220 HydrophobicContact CG2-CD1 4.45Å; I189-F220 HydrophobicContact CG2-CE1 4.01Å; I189-F220 HydrophobicContact CG2-CZ 4.34Å; A193-F220 HydrophobicContact CB-CE1 3.91Å; A193-F220 HydrophobicContact CB-CZ 3.5Å; A193-F220 VanDerWaalsContact CB-CZ 3.5Å; I216-F220 HydrophobicContact CG2-CD1 4.14Å; I216-F220 HydrophobicContact CG2-CD2 4.46Å; I216-F220 HydrophobicContact CG2-CE1 3.82Å; I216-F220 HydrophobicContact CG2-CE2 4.16Å; I216-F220 HydrophobicContact CG2-CG 4.47Å; I216-F220 HydrophobicContact CG2-CZ 3.86Å; I216-F220 WeakPolarHBondContact O-CB 3.27Å; I216-F220 VanDerWaalsContact O-CD1 3.29Å; I216-F220 WeakPolarHBondContact O-CD1 3.48Å; I216-F220 VanDerWaalsContact O-CG 3.3Å; I216-F220 WeakPolarHBondContact O-CG 3.5Å; I216-F220 PolarHBondContact O-N 2.83Å; M217-F220 PolarHBondContact O-N 3.24Å; V218-F220 PolarHBondContact O-N 3.47Å; F220-R224 VanDerWaalsContact O-CB 3.26Å; F220-R224 WeakPolarHBondContact O-CB 3.4Å; F220-R224 PolarHBondContact O-N 3.19Å
221V95.5Very high91.8Very high28 Ų2847.6 Ų47.617%0.1726%0.261CS..Hα-helixtrans-62.5-47.4178.8173.90000110.4E123 V124 M217 V218 R224 I225E123-V221 HydrophobicContact CB-CG2 4.12Å; V124-V221 HydrophobicContact CG2-CG2 3.79Å; M217-V221 WeakPolarHBondContact O-CG2 3.39Å; M217-V221 PolarHBondContact O-N 2.8Å; V218-V221 PolarHBondContact O-N 2.97Å; V221-R224 PolarHBondContact O-N 3.45Å; V221-I225 HydrophobicContact CG1-CD1 3.64Å; V221-I225 HydrophobicContact CG1-CG1 4.35Å; V221-I225 VanDerWaalsContact O-CG1 3.3Å; V221-I225 WeakPolarHBondContact O-CG1 3.27Å; V221-I225 PolarHBondContact O-N 2.91Å
222Y93.7Very high90.7Very high142 Ų14250.4 Ų50.456%0.55728%0.277SS*.Hα-helixtrans-57.9-52178.8172.5-101.8000112.1V218 R224 I225 T226V218-Y222 WeakPolarHBondContact O-CB 3.46Å; V218-Y222 PolarHBondContact O-N 3.46Å; Y222-R224 VanDerWaalsContact C-N 3.29Å; Y222-R224 PolarHBondContact O-N 2.93Å; Y222-I225 PolarHBondContact O-N 2.71Å; Y222-T226 WeakPolarHBondContact O-CB 3.1Å; Y222-T226 PolarHBondContact O-N 3.46Å; Y222-T226 PolarHBondContact O-OG1 3.05Å
223L92.2Very high89.6Confident36 Ų3658.4 Ų58.419%0.18831%0.311CS..Hα-helixtrans-65.4-35.6-179.4-70.5168.5000111.5F185 I189 L219 M227F185-L223 HydrophobicContact CE1-CB 4.16Å; F185-L223 HydrophobicContact CZ-CB 3.83Å; F185-L223 HydrophobicContact CZ-CD1 4Å; F185-L223 HydrophobicContact CZ-CG 4.34Å; I189-L223 HydrophobicContact CD1-CD1 3.27Å; L219-L223 HydrophobicContact CD1-CD1 3.6Å; L219-L223 HydrophobicContact CD1-CG 4.06Å; L219-L223 HydrophobicContact CD2-CD1 4.47Å; L219-L223 HydrophobicContact CG-CD1 3.69Å; L219-L223 HydrophobicContact CG-CG 4.46Å; L219-L223 WeakPolarHBondContact O-CB 3.35Å; L219-L223 VanDerWaalsContact O-CG 3.26Å; L219-L223 WeakPolarHBondContact O-CG 3.26Å; L219-L223 PolarHBondContact O-N 3.07Å; L223-M227 VanDerWaalsContact O-CB 3.28Å; L223-M227 WeakPolarHBondContact O-CB 3.1Å; L223-M227 PolarHBondContact O-N 3.45Å
224R90.1Very high88.3Confident11 Ų1160 Ų604%0.04232%0.32CS..Hα-helixtrans-66.5-46.3176.2-172.964.7168.7-158.2-9.2112.1C119 E123 F220 V221 Y222 T226 M227 I228 F317C119-R224 HydrophobicContact CB-CG 4.18Å; E123-R224 HydrophobicContact CG-CB 3.72Å; E123-R224 HydrophobicContact CG-CG 3.69Å; F220-R224 VanDerWaalsContact O-CB 3.26Å; F220-R224 WeakPolarHBondContact O-CB 3.4Å; F220-R224 PolarHBondContact O-N 3.19Å; V221-R224 PolarHBondContact O-N 3.45Å; Y222-R224 VanDerWaalsContact C-N 3.29Å; Y222-R224 PolarHBondContact O-N 2.93Å; R224-T226 VanDerWaalsContact C-N 3.33Å; R224-M227 PolarHBondContact O-N 2.99Å; R224-I228 HydrophobicContact CG-CD1 4.03Å; R224-I228 VanDerWaalsContact O-CG1 3.31Å; R224-I228 WeakPolarHBondContact O-CG1 3.32Å; R224-I228 PolarHBondContact O-N 3.49Å; R224-F317 PolarHBondContact NH2-O 2.88Å
225I91.6Very high87.1Confident58 Ų5862.4 Ų62.430%0.29734%0.337SS..Hα-helixtrans-61.9-45.9177.2-68.3169.8000109.7L116 V221 Y222 M227 I228 L229L116-I225 HydrophobicContact CD2-CG1 4.43Å; L116-I225 HydrophobicContact CD2-CG2 4.35Å; V221-I225 HydrophobicContact CG1-CD1 3.64Å; V221-I225 HydrophobicContact CG1-CG1 4.35Å; V221-I225 VanDerWaalsContact O-CG1 3.3Å; V221-I225 WeakPolarHBondContact O-CG1 3.27Å; V221-I225 PolarHBondContact O-N 2.91Å; Y222-I225 PolarHBondContact O-N 2.71Å; I225-M227 PolarHBondContact O-N 2.93Å; I225-I228 PolarHBondContact O-N 3.47Å; I225-L229 VanDerWaalsContact O-CB 3.3Å; I225-L229 WeakPolarHBondContact O-CB 3.44Å; I225-L229 PolarHBondContact O-N 2.81Å
226T89.4Confident86Confident33 Ų3361.7 Ų61.720%0.20233%0.328CS..Hα-helixtrans-60.1-45178.8-55.70000111.4Y222 R224 I228 L229 L230Y222-T226 WeakPolarHBondContact O-CB 3.1Å; Y222-T226 PolarHBondContact O-N 3.46Å; Y222-T226 PolarHBondContact O-OG1 3.05Å; R224-T226 VanDerWaalsContact C-N 3.33Å; T226-I228 PolarHBondContact O-N 2.89Å; T226-L229 PolarHBondContact O-N 3.17Å; T226-L230 HydrophobicContact CG2-CD1 3.87Å; T226-L230 HydrophobicContact CG2-CD2 3.94Å; T226-L230 HydrophobicContact CG2-CG 4.41Å; T226-L230 WeakPolarHBondContact O-CB 3.22Å; T226-L230 WeakPolarHBondContact O-CD1 3.45Å; T226-L230 PolarHBondContact O-N 2.67Å
227M87.2Confident85Confident24 Ų2463 Ų6312%0.11834%0.337CS..Hα-helixtrans-62.1-41.4177.1-176.5-158.7146.100112.1L223 R224 I225 G231 N315L223-M227 VanDerWaalsContact O-CB 3.28Å; L223-M227 WeakPolarHBondContact O-CB 3.1Å; L223-M227 PolarHBondContact O-N 3.45Å; R224-M227 PolarHBondContact O-N 2.99Å; I225-M227 PolarHBondContact O-N 2.93Å; M227-G231 WeakPolarHBondContact O-CA 3.36Å; M227-G231 PolarHBondContact O-N 3.37Å; M227-N315 HydrophobicContact CE-CB 4.26Å; M227-N315 WeakPolarHBondContact CE-ND2 3.46Å
228I88.1Confident83.9Confident45 Ų4567.2 Ų67.223%0.23136%0.364CS..Hα-helixtrans-70.4-41.4179-66.6167.9000111.1L116 C119 R224 I225 T226L116-I228 HydrophobicContact CD2-CB 3.83Å; L116-I228 HydrophobicContact CD2-CD1 4.03Å; L116-I228 HydrophobicContact CD2-CG2 3.59Å; L116-I228 HydrophobicContact CG-CG2 4.41Å; C119-I228 HydrophobicContact CB-CD1 3.86Å; R224-I228 HydrophobicContact CG-CD1 4.03Å; R224-I228 VanDerWaalsContact O-CG1 3.31Å; R224-I228 WeakPolarHBondContact O-CG1 3.32Å; R224-I228 PolarHBondContact O-N 3.49Å; I225-I228 PolarHBondContact O-N 3.47Å; T226-I228 PolarHBondContact O-N 2.89Å
229L89.4Confident82.9Confident116 Ų11669.9 Ų69.961%0.60737%0.369SS*.Hα-helixtrans-80.4-43.5-172.9-17363.4000112.9I225 T226 G231I225-L229 VanDerWaalsContact O-CB 3.3Å; I225-L229 WeakPolarHBondContact O-CB 3.44Å; I225-L229 PolarHBondContact O-N 2.81Å; T226-L229 PolarHBondContact O-N 3.17Å; L229-G231 VanDerWaalsContact C-N 3.35Å
230L85.1Confident81.9Confident98 Ų9868.9 Ų68.951%0.51336%0.363SS..Hα-helixtrans-85.2-12.3-179.2-73.164.6000112.1T226 L232T226-L230 HydrophobicContact CG2-CD1 3.87Å; T226-L230 HydrophobicContact CG2-CD2 3.94Å; T226-L230 HydrophobicContact CG2-CG 4.41Å; T226-L230 WeakPolarHBondContact O-CB 3.22Å; T226-L230 WeakPolarHBondContact O-CD1 3.45Å; T226-L230 PolarHBondContact O-N 2.67Å; L230-L232 HydrophobicContact CB-CD1 3.98Å; L230-L232 HydrophobicContact CB-CG 3.74Å; L230-L232 HydrophobicContact CD2-CD1 3.65Å; L230-L232 HydrophobicContact CD2-CG 4.32Å; L230-L232 HydrophobicContact CG-CD1 4.49Å; L230-L232 PolarHBondContact O-N 2.95Å
231G76.9Confident81Confident63 Ų6372.7 Ų72.765%0.64938%0.383SS*.  trans60.415.8-17700000113.9M227 L229M227-G231 WeakPolarHBondContact O-CA 3.36Å; M227-G231 PolarHBondContact O-N 3.37Å; L229-G231 VanDerWaalsContact C-N 3.35Å
232L69.1Low80Confident106 Ų10674 Ų7456%0.55540%0.397SS*.  trans-66.8139.3-177.9-66.3175.1000110.4L230L230-L232 HydrophobicContact CB-CD1 3.98Å; L230-L232 HydrophobicContact CB-CG 3.74Å; L230-L232 HydrophobicContact CD2-CD1 3.65Å; L230-L232 HydrophobicContact CD2-CG 4.32Å; L230-L232 HydrophobicContact CG-CD1 4.49Å; L230-L232 PolarHBondContact O-N 2.95Å
233K70.1Confident79.2Confident180 Ų18069.6 Ų69.678%0.78338%0.384SS*.  trans-67.3148.2167.2-171.7155.1178.2158.20109.5
234D68.4Low78.4Confident33 Ų3370.5 Ų70.518%0.17639%0.393CS..  trans-31.7114.6-175.4-690.6000113.4F185 F236 V237F185-D234 HydrophobicContact CB-CB 4.38Å; F185-D234 WeakPolarHBondContact CB-OD1 3.28Å; F185-D234 PolarHBondContact N-OD2 3.35Å; D234-F236 PolarHBondContact O-N 3.21Å; D234-V237 HydrophobicContact CB-CG2 3.71Å; D234-V237 WeakPolarHBondContact O-CB 3.31Å; D234-V237 VanDerWaalsContact O-CG2 3.25Å; D234-V237 WeakPolarHBondContact O-CG2 3.49Å; D234-V237 PolarHBondContact O-N 2.9Å
235P68.6Low77.8Confident79 Ų7976.3 Ų76.351%0.51342%0.419SS..THydrogen-bonded Turntrans-65.8-15.8-172.826.5-36000113.4F185 P238F185-P235 HydrophobicContact CD2-CG 4.31Å; F185-P235 HydrophobicContact CE2-CG 3.74Å; P235-P238 WeakPolarHBondContact O-CD 3.28Å
236F72.6Confident77.1Confident60 Ų6079.2 Ų79.226%0.26343%0.434SS..THydrogen-bonded Turntrans-77.9-16.6175.8-66.8-67000113.9F185 L192 D234 F239 E240F185-F236 AromaticContact CD2-CD2 3.59Å; F185-F236 HydrophobicContact CD2-CD2 3.59Å; F185-F236 AromaticContact CD2-CE2 3.79Å; F185-F236 HydrophobicContact CD2-CE2 3.79Å; F185-F236 AromaticContact CE2-CD2 3.54Å; F185-F236 HydrophobicContact CE2-CD2 3.54Å; F185-F236 AromaticContact CE2-CE2 3.31Å; F185-F236 HydrophobicContact CE2-CE2 3.31Å; F185-F236 HydrophobicContact CE2-CZ 4.46Å; F185-F236 HydrophobicContact CZ-CE2 4.18Å; L192-F236 HydrophobicContact CD1-CE1 4.19Å; L192-F236 HydrophobicContact CD1-CZ 3.97Å; D234-F236 PolarHBondContact O-N 3.21Å; F236-F239 PolarHBondContact O-N 3.23Å; F236-F239 VanDerWaalsContact O-N 3.11Å; F236-E240 WeakPolarHBondContact O-CB 3.23Å; F236-E240 PolarHBondContact O-N 2.72Å
237V75.6Confident76.5Confident40 Ų4083.4 Ų83.424%0.24246%0.455CS..Hα-helixtrans-54.1-47.8-177.1171.40000113.8D234 F239 E240 N241D234-V237 HydrophobicContact CB-CG2 3.71Å; D234-V237 WeakPolarHBondContact O-CB 3.31Å; D234-V237 VanDerWaalsContact O-CG2 3.25Å; D234-V237 WeakPolarHBondContact O-CG2 3.49Å; D234-V237 PolarHBondContact O-N 2.9Å; V237-F239 VanDerWaalsContact C-N 3.31Å; V237-F239 PolarHBondContact O-N 3.13Å; V237-E240 PolarHBondContact O-N 3.06Å; V237-N241 WeakPolarHBondContact O-CB 3.29Å; V237-N241 PolarHBondContact O-N 3.05Å; V237-N241 PolarHBondContact O-ND2 3.15Å
238P72.1Confident75.8Confident94 Ų9490.5 Ų90.561%0.6149%0.486SS*.Hα-helixtrans-62.1-39177.522.4-33.9000112.6P235 A242P235-P238 WeakPolarHBondContact O-CD 3.28Å; P238-A242 PolarHBondContact O-N 3.34Å; P238-A242 VanDerWaalsContact O-N 3.12Å
239F74.7Confident74.7Confident141 Ų14189.1 Ų89.162%0.61848%0.482SS*.Hα-helixtrans-68.5-47.1178.9177.7-99.5000111.9F236 V237 N241 A242 V243F236-F239 PolarHBondContact O-N 3.23Å; F236-F239 VanDerWaalsContact O-N 3.11Å; V237-F239 VanDerWaalsContact C-N 3.31Å; V237-F239 PolarHBondContact O-N 3.13Å; F239-N241 VanDerWaalsContact C-N 3.35Å; F239-N241 PolarHBondContact O-N 3.47Å; F239-A242 WeakPolarHBondContact O-CB 3.35Å; F239-A242 PolarHBondContact O-N 3.05Å; F239-A242 VanDerWaalsContact O-N 3.11Å; F239-V243 HydrophobicContact CD1-CG2 4.23Å; F239-V243 HydrophobicContact CE1-CG2 3.77Å; F239-V243 HydrophobicContact CE2-CG2 4.07Å; F239-V243 HydrophobicContact CZ-CG2 3.68Å; F239-V243 WeakPolarHBondContact O-CG2 3.35Å; F239-V243 PolarHBondContact O-N 3.26Å
240E73.8Confident73.7Confident57 Ų5784.9 Ų84.927%0.26647%0.467SS..Hα-helixtrans-57.6-47.2175.8178.2179.3-156.400111.2K188 F236 V237 A242 V243 C244K188-E240 WeakPolarHBondContact CE-OE1 2.65Å; K188-E240 IonicContact NZ-OE1 3.55Å; K188-E240 PolarHBondContact NZ-OE1 3.26Å; K188-E240 IonicContact NZ-OE2 2.9Å; K188-E240 PolarHBondContact NZ-OE2 3.19Å; F236-E240 WeakPolarHBondContact O-CB 3.23Å; F236-E240 PolarHBondContact O-N 2.72Å; V237-E240 PolarHBondContact O-N 3.06Å; E240-A242 VanDerWaalsContact C-N 3.25Å; E240-A242 PolarHBondContact O-N 3.43Å; E240-V243 PolarHBondContact O-N 3.36Å; E240-C244 VanDerWaalsContact O-CB 3.29Å; E240-C244 WeakPolarHBondContact O-CB 3.48Å; E240-C244 PolarHBondContact O-N 3.43Å; E240-C244 PolarHBondContact O-SG 3.08Å; E240-C244 VanDerWaalsContact O-SG 3.33Å
241N76.3Confident72.9Confident83 Ų8382.9 Ų82.944%0.44446%0.459SS..Hα-helixtrans-61-35.5176.9-73.5-25.7000112.2V237 F239 K245V237-N241 WeakPolarHBondContact O-CB 3.29Å; V237-N241 PolarHBondContact O-N 3.05Å; V237-N241 PolarHBondContact O-ND2 3.15Å; F239-N241 VanDerWaalsContact C-N 3.35Å; F239-N241 PolarHBondContact O-N 3.47Å; N241-K245 VanDerWaalsContact O-CB 3.3Å; N241-K245 WeakPolarHBondContact O-CB 3.41Å; N241-K245 WeakPolarHBondContact O-CG 3.29Å; N241-K245 PolarHBondContact O-N 2.66Å
242A75.4Confident72.5Confident56 Ų5684.3 Ų84.346%0.46345%0.454SS..Hα-helixtrans-68.7-46.5176.100000111.6P238 F239 E240 K245 L246P238-A242 PolarHBondContact O-N 3.34Å; P238-A242 VanDerWaalsContact O-N 3.12Å; F239-A242 WeakPolarHBondContact O-CB 3.35Å; F239-A242 PolarHBondContact O-N 3.05Å; F239-A242 VanDerWaalsContact O-N 3.11Å; E240-A242 VanDerWaalsContact C-N 3.25Å; E240-A242 PolarHBondContact O-N 3.43Å; A242-K245 PolarHBondContact O-N 2.95Å; A242-L246 WeakPolarHBondContact O-CB 3.46Å; A242-L246 PolarHBondContact O-N 3.28Å
243V77.3Confident72.6Confident48 Ų4884.1 Ų84.129%0.29145%0.454SS..Hα-helixtrans-65.1-43.7177.7174.70000111.2F239 E240 K245 L246 L247F239-V243 HydrophobicContact CD1-CG2 4.23Å; F239-V243 HydrophobicContact CE1-CG2 3.77Å; F239-V243 HydrophobicContact CE2-CG2 4.07Å; F239-V243 HydrophobicContact CZ-CG2 3.68Å; F239-V243 WeakPolarHBondContact O-CG2 3.35Å; F239-V243 PolarHBondContact O-N 3.26Å; E240-V243 PolarHBondContact O-N 3.36Å; V243-K245 VanDerWaalsContact C-N 3.33Å; V243-K245 PolarHBondContact O-N 3.48Å; V243-L246 PolarHBondContact O-N 3Å; V243-L246 VanDerWaalsContact O-N 3.13Å; V243-L247 HydrophobicContact CG1-CD1 3.63Å; V243-L247 HydrophobicContact CG1-CG 4.2Å; V243-L247 WeakPolarHBondContact O-CB 3.48Å; V243-L247 PolarHBondContact O-N 2.96Å
244C74.9Confident72.6Confident55 Ų5578.1 Ų78.137%0.37244%0.438SS..Hα-helixtrans-62.1-41.3176.2-73.20000111.7E240 L246 F248E240-C244 VanDerWaalsContact O-CB 3.29Å; E240-C244 WeakPolarHBondContact O-CB 3.48Å; E240-C244 PolarHBondContact O-N 3.43Å; E240-C244 PolarHBondContact O-SG 3.08Å; E240-C244 VanDerWaalsContact O-SG 3.33Å; C244-L246 VanDerWaalsContact C-N 3.32Å; C244-L246 PolarHBondContact O-N 2.94Å; C244-F248 WeakPolarHBondContact O-CB 2.96Å; C244-F248 PolarHBondContact O-N 3.34Å
245K76.4Confident72.8Confident133 Ų13382.1 Ų82.158%0.57846%0.458SS*.Hα-helixtrans-62-41.8172.8-77.3174.2-178.3-171.20111.6N241 A242 V243 G250 T251N241-K245 VanDerWaalsContact O-CB 3.3Å; N241-K245 WeakPolarHBondContact O-CB 3.41Å; N241-K245 WeakPolarHBondContact O-CG 3.29Å; N241-K245 PolarHBondContact O-N 2.66Å; A242-K245 PolarHBondContact O-N 2.95Å; V243-K245 VanDerWaalsContact C-N 3.33Å; V243-K245 PolarHBondContact O-N 3.48Å; K245-G250 CarbonylContact O-C 3.44Å; K245-G250 WeakPolarHBondContact O-CA 3.34Å; K245-G250 PolarHBondContact O-N 2.53Å; K245-T251 WeakPolarHBondContact O-CG2 3.38Å; K245-T251 PolarHBondContact O-N 3.13Å; K245-T251 PolarHBondContact O-OG1 3.21Å
246L77.6Confident73.2Confident119 Ų11986 Ų8662%0.62346%0.463SS*.Hα-helixtrans-70.1-48.6-177.1-174.365.7000112.9A242 V243 C244 T251A242-L246 WeakPolarHBondContact O-CB 3.46Å; A242-L246 PolarHBondContact O-N 3.28Å; V243-L246 PolarHBondContact O-N 3Å; V243-L246 VanDerWaalsContact O-N 3.13Å; C244-L246 VanDerWaalsContact C-N 3.32Å; C244-L246 PolarHBondContact O-N 2.94Å; L246-T251 HydrophobicContact CD1-CG2 4.45Å
247L75.9Confident73.4Confident122 Ų12286.3 Ų86.364%0.63947%0.472SS*.Hα-helixtrans-90.6-40.8-171-66179.5000113.7V243 G249V243-L247 HydrophobicContact CG1-CD1 3.63Å; V243-L247 HydrophobicContact CG1-CG 4.2Å; V243-L247 WeakPolarHBondContact O-CB 3.48Å; V243-L247 PolarHBondContact O-N 2.96Å; L247-G249 VanDerWaalsContact C-N 3.35Å; L247-G249 PolarHBondContact O-N 3.5Å
248F72.6Confident73.5Confident173 Ų17386.9 Ų86.976%0.75948%0.481SS*.SBendtrans-99.726.9-171.2-65.1-72.2000113.2C244C244-F248 WeakPolarHBondContact O-CB 2.96Å; C244-F248 PolarHBondContact O-N 3.34Å
249G66.7Low73.9Confident16 Ų1689.4 Ų89.417%0.16548%0.483CS..SBendtrans85.78.5168.300000115.5L247 T251 V252 D253L247-G249 VanDerWaalsContact C-N 3.35Å; L247-G249 PolarHBondContact O-N 3.5Å; G249-T251 PolarHBondContact O-N 3.48Å; G249-V252 CarbonylContact O-C 3.54Å; G249-V252 WeakPolarHBondContact O-CA 3.47Å; G249-V252 WeakPolarHBondContact O-CB 3.28Å; G249-V252 PolarHBondContact O-N 2.88Å; G249-D253 WeakPolarHBondContact O-CB 3.4Å; G249-D253 PolarHBondContact O-N 3.39Å
250G67.4Low74.2Confident27 Ų2788 Ų8828%0.27848%0.478SS..Hα-helixtrans-61.9-27.9170.100000112.8K245 A254K245-G250 CarbonylContact O-C 3.44Å; K245-G250 WeakPolarHBondContact O-CA 3.34Å; K245-G250 PolarHBondContact O-N 2.53Å; G250-A254 WeakPolarHBondContact O-CB 3.35Å; G250-A254 PolarHBondContact O-N 2.87Å
251T69Low74.4Confident56 Ų5694 Ų9434%0.34450%0.498SS..Hα-helixtrans-69.9-43.1167.749.40000111.7K245 L246 G249 A254 I255K245-T251 WeakPolarHBondContact O-CG2 3.38Å; K245-T251 PolarHBondContact O-N 3.13Å; K245-T251 PolarHBondContact O-OG1 3.21Å; L246-T251 HydrophobicContact CD1-CG2 4.45Å; G249-T251 PolarHBondContact O-N 3.48Å; T251-A254 PolarHBondContact O-N 3.43Å; T251-I255 WeakPolarHBondContact O-CB 3.26Å; T251-I255 WeakPolarHBondContact O-CD1 2.82Å; T251-I255 WeakPolarHBondContact O-CG1 3.46Å; T251-I255 PolarHBondContact O-N 3.35Å
252V68Low74.4Confident92 Ų9293.7 Ų93.756%0.55850%0.502SS*.Hα-helixtrans-64.6-43.9178.6-179.30000111G249 I255 R256G249-V252 CarbonylContact O-C 3.54Å; G249-V252 WeakPolarHBondContact O-CA 3.47Å; G249-V252 WeakPolarHBondContact O-CB 3.28Å; G249-V252 PolarHBondContact O-N 2.88Å; V252-I255 PolarHBondContact O-N 3.02Å; V252-R256 VanDerWaalsContact O-CB 3.29Å; V252-R256 WeakPolarHBondContact O-CB 3.4Å; V252-R256 PolarHBondContact O-N 3.36Å
253D71.6Confident74.4Confident103 Ų103100 Ų10055%0.55151%0.514SS*.Hα-helixtrans-67.7-37.9175.4-73.9-20.8000111.8G249 R256 S257G249-D253 WeakPolarHBondContact O-CB 3.4Å; G249-D253 PolarHBondContact O-N 3.39Å; D253-R256 PolarHBondContact O-N 3.03Å; D253-S257 VanDerWaalsContact O-CB 3.32Å; D253-S257 WeakPolarHBondContact O-CB 3.4Å; D253-S257 PolarHBondContact O-N 3.18Å; D253-S257 PolarHBondContact O-OG 3.15Å
254A68.9Low74.2Confident54 Ų54100.6 Ų100.645%0.44652%0.521SS..Hα-helixtrans-64.2-40.3173.300000111.8G250 T251 S257 A258G250-A254 WeakPolarHBondContact O-CB 3.35Å; G250-A254 PolarHBondContact O-N 2.87Å; T251-A254 PolarHBondContact O-N 3.43Å; A254-S257 WeakPolarHBondContact CA-OG 3.41Å; A254-S257 PolarHBondContact O-OG 3.21Å; A254-A258 VanDerWaalsContact O-CB 3.23Å; A254-A258 WeakPolarHBondContact O-CB 3.43Å; A254-A258 PolarHBondContact O-N 3.33Å
255I72.8Confident73.8Confident117 Ų117104.8 Ų104.860%0.653%0.532SS*.Hα-helixtrans-68.2-43.5175.3-68.7163.1000110.4T251 V252 A258 F259T251-I255 WeakPolarHBondContact O-CB 3.26Å; T251-I255 WeakPolarHBondContact O-CD1 2.82Å; T251-I255 WeakPolarHBondContact O-CG1 3.46Å; T251-I255 PolarHBondContact O-N 3.35Å; V252-I255 PolarHBondContact O-N 3.02Å; I255-A258 PolarHBondContact O-N 3.42Å; I255-F259 WeakPolarHBondContact O-CB 3.47Å; I255-F259 PolarHBondContact O-N 3.07Å
256R77.3Confident73Confident160 Ų160101.5 Ų101.560%0.60453%0.531SS*.Hα-helixtrans-63.1-45.8179.4-170.4176.1-177.1167.56.1111.6V252 D253 F259 E260V252-R256 VanDerWaalsContact O-CB 3.29Å; V252-R256 WeakPolarHBondContact O-CB 3.4Å; V252-R256 PolarHBondContact O-N 3.36Å; D253-R256 PolarHBondContact O-N 3.03Å; R256-F259 PolarHBondContact O-N 2.9Å; R256-E260 IonicContact NE-OE1 3.8Å; R256-E260 WeakPolarHBondContact O-CB 3.18Å; R256-E260 WeakPolarHBondContact O-CG 3.33Å; R256-E260 PolarHBondContact O-N 3.36Å
257S77.4Confident72.1Confident66 Ų6699.8 Ų99.846%0.46253%0.528SS..Hα-helixtrans-66.5-36.4175.456.30000112.6D253 A254 R261D253-S257 VanDerWaalsContact O-CB 3.32Å; D253-S257 WeakPolarHBondContact O-CB 3.4Å; D253-S257 PolarHBondContact O-N 3.18Å; D253-S257 PolarHBondContact O-OG 3.15Å; A254-S257 WeakPolarHBondContact CA-OG 3.41Å; A254-S257 PolarHBondContact O-OG 3.21Å; S257-R261 VanDerWaalsContact O-CB 3.28Å; S257-R261 WeakPolarHBondContact O-CB 3.43Å; S257-R261 PolarHBondContact O-N 2.89Å
258A77.4Confident71.2Confident52 Ų52102 Ų10243%0.4354%0.535SS..Hα-helixtrans-64.8-40.7172.500000111.8A254 I255 R261 S262A254-A258 VanDerWaalsContact O-CB 3.23Å; A254-A258 WeakPolarHBondContact O-CB 3.43Å; A254-A258 PolarHBondContact O-N 3.33Å; I255-A258 PolarHBondContact O-N 3.42Å; A258-R261 PolarHBondContact O-N 3.05Å; A258-S262 WeakPolarHBondContact O-CB 3.28Å; A258-S262 PolarHBondContact O-N 3.41Å; A258-S262 PolarHBondContact O-OG 2.89Å
259F80.2Confident70.2Confident148 Ų14897.5 Ų97.565%0.64953%0.53SS*.Hα-helixtrans-65.9-45.6176.6-172.3-99.5000111.8I255 R256 R261 S262 R263I255-F259 WeakPolarHBondContact O-CB 3.47Å; I255-F259 PolarHBondContact O-N 3.07Å; R256-F259 PolarHBondContact O-N 2.9Å; F259-R261 VanDerWaalsContact C-N 3.34Å; F259-R261 PolarHBondContact O-N 3.35Å; F259-S262 WeakPolarHBondContact O-CB 3.35Å; F259-S262 PolarHBondContact O-N 2.86Å; F259-S262 VanDerWaalsContact O-N 3.17Å; F259-R263 PolarHBondContact O-N 3.46Å
260E82.4Confident69Low110 Ų110102 Ų10251%0.51456%0.555SS.*Hα-helixtrans-61.5-40.7175.8-75.4171.7-172.400112R256 S262 R263 S264R256-E260 IonicContact NE-OE1 3.8Å; R256-E260 WeakPolarHBondContact O-CB 3.18Å; R256-E260 WeakPolarHBondContact O-CG 3.33Å; R256-E260 PolarHBondContact O-N 3.36Å; E260-S262 VanDerWaalsContact C-N 3.32Å; E260-S262 PolarHBondContact O-N 3.39Å; E260-R263 PolarHBondContact O-N 3.2Å; E260-S264 PolarHBondContact O-N 3.47Å; E260-S264 PolarHBondContact O-OG 2.67Å
261R77.9Confident67.7Low184 Ų184106 Ų10669%0.69458%0.576SS**Hα-helixtrans-68.3-30.1175.5-161.6178.5-150.3179.17.6113.3S257 A258 F259 S264 K265S257-R261 VanDerWaalsContact O-CB 3.28Å; S257-R261 WeakPolarHBondContact O-CB 3.43Å; S257-R261 PolarHBondContact O-N 2.89Å; A258-R261 PolarHBondContact O-N 3.05Å; F259-R261 VanDerWaalsContact C-N 3.34Å; F259-R261 PolarHBondContact O-N 3.35Å; R261-S264 PolarHBondContact O-OG 2.75Å; R261-S264 VanDerWaalsContact O-OG 3.06Å; R261-K265 PolarHBondContact O-N 3.26Å
262S75.1Confident66.3Low76 Ų76108.9 Ų108.953%0.53160%0.598SS.*Hα-helixtrans-71.2-39.9174.6-560000110.6A258 F259 E260 A266A258-S262 WeakPolarHBondContact O-CB 3.28Å; A258-S262 PolarHBondContact O-N 3.41Å; A258-S262 PolarHBondContact O-OG 2.89Å; F259-S262 WeakPolarHBondContact O-CB 3.35Å; F259-S262 PolarHBondContact O-N 2.86Å; F259-S262 VanDerWaalsContact O-N 3.17Å; E260-S262 VanDerWaalsContact C-N 3.32Å; E260-S262 PolarHBondContact O-N 3.39Å; S262-A266 PolarHBondContact O-N 3.34Å
263R76.2Confident64.8Low188 Ų188112.5 Ų112.571%0.70961%0.614SS**Hα-helixtrans-67.1-43.3176.6-177.4173.5165169.6-4.4112.1F259 E260 K265 A266 S267F259-R263 PolarHBondContact O-N 3.46Å; E260-R263 PolarHBondContact O-N 3.2Å; R263-K265 VanDerWaalsContact C-N 3.33Å; R263-K265 PolarHBondContact O-N 2.76Å; R263-A266 PolarHBondContact O-N 2.96Å; R263-S267 PolarHBondContact O-N 3.09Å; R263-S267 VanDerWaalsContact O-N 3.12Å; R263-S267 PolarHBondContact O-OG 2.84Å
264S72.2Confident62.9Low61 Ų61114.6 Ų114.643%0.42763%0.625SS.*Hα-helixtrans-61.9-41.7177.962.10000112E260 R261 A266 S267 E268E260-S264 PolarHBondContact O-N 3.47Å; E260-S264 PolarHBondContact O-OG 2.67Å; R261-S264 PolarHBondContact O-OG 2.75Å; R261-S264 VanDerWaalsContact O-OG 3.06Å; S264-A266 PolarHBondContact O-N 3.45Å; S264-S267 WeakPolarHBondContact CA-OG 3.5Å; S264-S267 PolarHBondContact O-N 2.85Å; S264-S267 PolarHBondContact O-OG 2.75Å; S264-E268 PolarHBondContact O-N 3.38Å
265K66.9Low61.5Low143 Ų143117.5 Ų117.562%0.62264%0.642SS**Hα-helixtrans-63.2-38.1173.5-80.1-174.6174.7-172.50113.5R261 R263 S267 E268 A269R261-K265 PolarHBondContact O-N 3.26Å; R263-K265 VanDerWaalsContact C-N 3.33Å; R263-K265 PolarHBondContact O-N 2.76Å; K265-S267 VanDerWaalsContact C-N 3.31Å; K265-S267 PolarHBondContact O-N 2.78Å; K265-E268 PolarHBondContact O-N 3.11Å; K265-A269 PolarHBondContact O-N 3.06Å
266A60.3Low59.5Low65 Ų65118.3 Ų118.354%0.53765%0.647SS.*Hα-helixtrans-65.2-36.5177.400000112S262 R263 S264 A269S262-A266 PolarHBondContact O-N 3.34Å; R263-A266 PolarHBondContact O-N 2.96Å; S264-A266 PolarHBondContact O-N 3.45Å; A266-A269 PolarHBondContact O-N 3.15Å
267S58.3Low57.4Low83 Ų83117.1 Ų117.158%0.5866%0.658SS**Hα-helixtrans-71.6-26.2175.731.70000114.2R263 S264 K265R263-S267 PolarHBondContact O-N 3.09Å; R263-S267 VanDerWaalsContact O-N 3.12Å; R263-S267 PolarHBondContact O-OG 2.84Å; S264-S267 WeakPolarHBondContact CA-OG 3.5Å; S264-S267 PolarHBondContact O-N 2.85Å; S264-S267 PolarHBondContact O-OG 2.75Å; K265-S267 VanDerWaalsContact C-N 3.31Å; K265-S267 PolarHBondContact O-N 2.78Å
268E57.9Low55.1Low168 Ų168119.3 Ų119.379%0.78567%0.673SS**Hα-helixtrans-80.3-17.2172.8-81.3176.7162.800113.4S264 K265 T270S264-E268 PolarHBondContact O-N 3.38Å; K265-E268 PolarHBondContact O-N 3.11Å; E268-T270 VanDerWaalsContact C-N 3.27Å; E268-T270 PolarHBondContact O-N 3.25Å
269A50.1Low52.8Low78 Ų78120.2 Ų120.265%0.64569%0.688SS**THydrogen-bonded Turntrans-86.217.4-179.300000114.4K265 A266K265-A269 PolarHBondContact O-N 3.06Å; A266-A269 PolarHBondContact O-N 3.15Å
270T41.1Very low50.5Low112 Ų112119.1 Ų119.169%0.68769%0.693SS**SBendtrans-98.4112.4169.4-48.30000108.9E268 S272E268-T270 VanDerWaalsContact C-N 3.27Å; E268-T270 PolarHBondContact O-N 3.25Å; T270-S272 PolarHBondContact O-N 2.88Å
271P41.4Very low47.9Very low110 Ų110119.8 Ų119.871%0.71471%0.705SS**  trans-66.3136.3-170.225.9-31.9000111N273P271-N273 PolarHBondContact O-N 3.47Å
272S39.7Very low45.7Very low117 Ų117115.9 Ų115.982%0.81871%0.706SS**  trans-4599.8169.250.90000111.5T270T270-S272 PolarHBondContact O-N 2.88Å
273N34.9Very low43.4Very low167 Ų167117.5 Ų117.589%0.89372%0.717SS**  trans-99.4111.3155.2-107.4-26.5000108.3P271 S275P271-N273 PolarHBondContact O-N 3.47Å; N273-S275 PolarHBondContact O-N 3.26Å
274L33.4Very low41.3Very low148 Ų148113.7 Ų113.778%0.77572%0.719SS**  trans-70114-177-17178.5000109.8
275S39Very low39.4Very low115 Ų115116.2 Ų116.280%0.80474%0.737SS**  trans-145.493.7151.457.50000108.5N273N273-S275 PolarHBondContact O-N 3.26Å
276N30.3Very low37.5Very low134 Ų134115.9 Ų115.972%0.71775%0.747SS**  trans-61.9169.7169.9-86.7-11.8000112.1
277V32.9Very low36.2Very low135 Ų135117.4 Ų117.482%0.81876%0.759SS**  trans98.6123.7158.8-170.40000113.3
278S30Very low35Very low111 Ų111120.4 Ų120.478%0.77677%0.769SS**  cis159.7137.6-19.1-930000104.7
279G28.8Very low33.5Very low72 Ų72121.5 Ų121.574%0.74278%0.777SS**  trans84.7132.4165.400000113.4
280T32.3Very low32.6Very low125 Ų125124 Ų12477%0.76778%0.784SS**  cis-163.9122.33236.80000107.4
281T26.9Very low31.9Very low124 Ų124122.6 Ų122.676%0.76179%0.792SS**  42.2125.8102.358.80000113.1
282S31.3Very low31.3Very low102 Ų102124.6 Ų124.671%0.71380%0.796SS**  cis-173.4128.543-25.50000108
283S28.6Very low30.7Very low109 Ų109123.7 Ų123.776%0.76280%0.796SS**  64115.2108.971.10000117.8
284S32.2Very low30.4Very low108 Ų108122.5 Ų122.576%0.75579%0.79SS**  175.1112.8107.658.20000112.7
285S30.7Very low29.9Very low115 Ų115125.5 Ų125.580%0.80480%0.797SS**  trans51.2103.7140.357.40000120.8
286T28.2Very low29.3Very low135 Ų135124.7 Ų124.783%0.82879%0.792SS**  trans-119.4112147.8-45.80000108.3
287A32.4Very low29.2Very low97 Ų97123.4 Ų123.480%0.80279%0.793SS**  trans-91.1100.5173.500000108.7
288N33Very low28.8Very low147 Ų147123.3 Ų123.379%0.78679%0.793SS**  trans-118.1105.6166.8-105.5-1.3000108.9T290N288-T290 PolarHBondContact O-N 3.32Å
289M26.6Very low28.6Very low191 Ų191121.7 Ų121.794%0.94179%0.793SS**  trans-72.4109.7172.7-66.2-174.8179.700109.2
290T30.9Very low28.4Very low130 Ų130125 Ų12580%0.79880%0.8SS**  trans-132.1111.2158.938.50000107.8N288 N292N288-T290 PolarHBondContact O-N 3.32Å; T290-N292 PolarHBondContact O-N 2.78Å
291G26.2Very low28Very low83 Ų83122.5 Ų122.586%0.85680%0.799SS**  trans-75.7106.7-178.400000110.7
292N30Very low27.9Very low151 Ų151123.5 Ų123.581%0.80781%0.805SS**  trans-102.8110.8162-102.932.3000108.5T290 N294T290-N292 PolarHBondContact O-N 2.78Å; N292-N294 VanDerWaalsContact C-N 3.35Å; N292-N294 PolarHBondContact O-N 3.17Å
293A26.8Very low27.5Very low99 Ų99122 Ų12282%0.81881%0.805SS**  trans-68.289.1173.900000109.7F295A293-F295 PolarHBondContact O-N 2.89Å
294N27.8Very low27.3Very low142 Ų142126 Ų12676%0.75981%0.812SS**  trans-87.3101.3174.8-133.631.9000108.9N292 S296N292-N294 VanDerWaalsContact C-N 3.35Å; N292-N294 PolarHBondContact O-N 3.17Å; N294-S296 VanDerWaalsContact C-N 3.26Å; N294-S296 PolarHBondContact O-N 3.48Å
295F23.2Very low26.9Very low211 Ų211126.2 Ų126.293%0.92581%0.814SS**  trans-7182.2167.9-104.6-95.5000108.8A293A293-F295 PolarHBondContact O-N 2.89Å
296S27Very low26.6Very low98 Ų98128.3 Ų128.369%0.68582%0.816SS**  trans-10194.9167.458.90000109.1N294 T298N294-S296 VanDerWaalsContact C-N 3.26Å; N294-S296 PolarHBondContact O-N 3.48Å; S296-T298 PolarHBondContact O-N 2.92Å
297S27.2Very low26.4Very low107 Ų107130.9 Ų130.975%0.74882%0.818SS**  trans-53.2128.4154.351.70000109.5
298T24.6Very low25.9Very low132 Ų132129.8 Ų129.881%0.8182%0.817SS**  trans160.2113.4135.3-58.60000107.4S296S296-T298 PolarHBondContact O-N 2.92Å
299G25.9Very low25.4Very low77 Ų77130.4 Ų130.479%0.79482%0.819SS**  trans-154.370.6177.700000109.4G301G299-G301 PolarHBondContact O-N 3.16Å; G299-G301 VanDerWaalsContact O-N 3.17Å
300T24.3Very low25.2Very low143 Ų143126.7 Ų126.788%0.87781%0.809SS**  trans-61.7105.6160.439.40000108
301G24.8Very low24.8Very low72 Ų72127.3 Ų127.374%0.74281%0.808SS**  trans-131.1109.917700000109.5G299G299-G301 PolarHBondContact O-N 3.16Å; G299-G301 VanDerWaalsContact O-N 3.17Å
302T23.5Very low24.7Very low145 Ų145128.3 Ų128.389%0.8980%0.801SS**  trans-59.3137.5178.442.40000113.3
303G23.2Very low24.3Very low70 Ų70127.6 Ų127.672%0.72280%0.798SS**  trans70.7103.214400000117.1
304Q24.6Very low24.1Very low192 Ų192125.8 Ų125.890%0.89778%0.783SS**  trans-162.3124.2132-107.4166.22800109.7N306Q304-N306 PolarHBondContact O-N 3.23Å
305S23.3Very low24Very low114 Ų114122.9 Ų122.980%0.79777%0.767SS**  trans-51.8117.517147.50000110.9
306N24.8Very low24.1Very low159 Ų159113.7 Ų113.785%0.8573%0.729SS**  trans-146.3137.1156.3-109.4-14.6000110.6Q304 G308Q304-N306 PolarHBondContact O-N 3.23Å; N306-G308 PolarHBondContact O-N 3.49Å; N306-G308 VanDerWaalsContact O-N 3.14Å
307Q24.2Very low24.4Very low188 Ų188110.4 Ų110.488%0.87970%0.703SS**  trans-54.4106.7-166.1-66.5164-8.500112
308G22.5Very low25Very low75 Ų75105.7 Ų105.777%0.77367%0.669SS**  trans-87.2112.7176.600000111.3N306N306-G308 PolarHBondContact O-N 3.49Å; N306-G308 VanDerWaalsContact O-N 3.14Å
309L21.7Very low25.8Very low159 Ų15999.5 Ų99.583%0.83263%0.631SS**  trans-52.7147166.5-74.690.1000110.9N311L309-N311 PolarHBondContact O-N 2.9Å; L309-N311 VanDerWaalsContact O-N 3.1Å
310P23.8Very low26.5Very low113 Ų11395.9 Ų95.973%0.73459%0.594SS**  trans-64.5115.7-170.523.5-31.6000111.9S312P310-S312 VanDerWaalsContact C-N 3.33Å; P310-S312 PolarHBondContact O-N 2.84Å; P310-S312 PolarHBondContact O-OG 3.18Å; P310-S312 VanDerWaalsContact O-OG 3.07Å
311N21.9Very low27Very low144 Ų14489.8 Ų89.877%0.7756%0.56SS**  trans-61.286.5177.8-154.110.4000110.2L309 N313L309-N311 PolarHBondContact O-N 2.9Å; L309-N311 VanDerWaalsContact O-N 3.1Å; N311-N313 PolarHBondContact O-N 2.84Å
312S23.1Very low27.6Very low103 Ų10387.9 Ų87.972%0.7253%0.532SS*.  trans-84.364.3-177.5-55.40000110.2P310 A314P310-S312 VanDerWaalsContact C-N 3.33Å; P310-S312 PolarHBondContact O-N 2.84Å; P310-S312 PolarHBondContact O-OG 3.18Å; P310-S312 VanDerWaalsContact O-OG 3.07Å; S312-A314 PolarHBondContact O-N 2.87Å
313N21.7Very low28.4Very low137 Ų13783.8 Ų83.873%0.73350%0.501SS*.  trans-73.176169.9-95-10.9000109.6N311N311-N313 PolarHBondContact O-N 2.84Å
314A23.4Very low28.9Very low61 Ų6185 Ų8550%0.50449%0.49SS..  trans-116.874.2175.400000110.7S312 S316S312-A314 PolarHBondContact O-N 2.87Å; A314-S316 PolarHBondContact O-N 3.49Å; A314-S316 VanDerWaalsContact O-N 3.07Å
315N25.5Very low29.3Very low81 Ų8179.2 Ų79.243%0.43348%0.475SS..  trans0.788.6153.4-69.8-10.5000116.5M227 F317M227-N315 HydrophobicContact CE-CB 4.26Å; M227-N315 WeakPolarHBondContact CE-ND2 3.46Å; N315-F317 HydrophobicContact CB-CD2 3.83Å; N315-F317 HydrophobicContact CB-CE2 3.42Å; N315-F317 VanDerWaalsContact CB-CE2 3.42Å; N315-F317 HydrophobicContact CB-CZ 4.37Å
316S25.3Very low29.7Very low18 Ų1878.4 Ų78.413%0.12648%0.476CS..  trans-99108.9171.771.20000110.9S33 K163 A314S33-S316 PolarHBondContact OG-OG 3.08Å; K163-S316 PolarHBondContact NZ-O 3.06Å; K163-S316 PolarHBondContact NZ-OG 2.83Å; A314-S316 PolarHBondContact O-N 3.49Å; A314-S316 VanDerWaalsContact O-N 3.07Å
317F33.9Very low29.8Very low28 Ų2878.2 Ų78.212%0.12348%0.475CS..  trans-14595.4-170.5-59.9-59.7000112.5Y159 T184 R224 N315Y159-F317 VanDerWaalsContact CE2-C 3.49Å; Y159-F317 HydrophobicContact CE2-CB 4.5Å; Y159-F317 VanDerWaalsContact OH-C 3.24Å; Y159-F317 PolarHBondContact OH-O 3.26Å; T184-F317 HydrophobicContact CG2-CD1 4.06Å; T184-F317 HydrophobicContact CG2-CE1 3.32Å; T184-F317 HydrophobicContact CG2-CZ 3.74Å; R224-F317 PolarHBondContact NH2-O 2.88Å; N315-F317 HydrophobicContact CB-CD2 3.83Å; N315-F317 HydrophobicContact CB-CE2 3.42Å; N315-F317 VanDerWaalsContact CB-CE2 3.42Å; N315-F317 HydrophobicContact CB-CZ 4.37Å
318N39.8Very low29.9Very low8 Ų879 Ų794%0.04347%0.469CS..  trans-147.2123.9-162-74.5-22000111.9L29 M30 Y159L29-N318 VanDerWaalsContact C-ND2 3.28Å; L29-N318 HydrophobicContact CB-CB 3.84Å; L29-N318 WeakPolarHBondContact CB-ND2 3.38Å; L29-N318 WeakPolarHBondContact CB-OD1 3.43Å; L29-N318 PolarHBondContact O-ND2 3.01Å; M30-N318 VanDerWaalsContact CE-CA 3.42Å; M30-N318 HydrophobicContact CE-CB 3.27Å; M30-N318 HydrophobicContact SD-CB 3.73Å; Y159-N318 WeakPolarHBondContact CB-O 3.12Å; Y159-N318 WeakPolarHBondContact CD2-O 3.4Å; Y159-N318 WeakPolarHBondContact CE2-O 3.49Å; Y159-N318 VanDerWaalsContact CZ-C 3.4Å; Y159-N318 VanDerWaalsContact CZ-N 3.27Å; Y159-N318 PolarHBondContact OH-N 2.79Å
319S40.7Very low30Very low2 Ų284.7 Ų84.71%0.01448%0.476CS..  trans-115.9167.8175.719.10000119.3N26 M30 K122 G156 Y159N26-S319 WeakPolarHBondContact CB-O 3.47Å; N26-S319 PolarHBondContact OD1-O 3.38Å; M30-S319 WeakPolarHBondContact CE-O 3.37Å; M30-S319 VanDerWaalsContact SD-C 3.58Å; M30-S319 VanDerWaalsContact SD-CA 3.54Å; M30-S319 PolarHBondContact SD-N 2.65Å; K122-S319 WeakPolarHBondContact CE-OG 3.37Å; K122-S319 PolarHBondContact NZ-OG 2.81Å; G156-S319 WeakPolarHBondContact O-CB 3.47Å; G156-S319 PolarHBondContact O-OG 3.2Å; G156-S319 VanDerWaalsContact O-OG 3.06Å; Y159-S319 WeakPolarHBondContact CD1-OG 3.33Å; Y159-S319 WeakPolarHBondContact CE1-OG 3.45Å; Y159-S319 VanDerWaalsContact CG-CA 3.43Å
320S40.7Very low30.2Very low1 Ų182.1 Ų82.11%0.00747%0.467CS..  trans-156.5166.7-16468.30000121.6N26 M61 C62 F63 K129N26-S320 WeakPolarHBondContact ND2-CA 3.45Å; N26-S320 WeakPolarHBondContact OD1-CA 3.37Å; N26-S320 WeakPolarHBondContact OD1-CB 3.34Å; N26-S320 PolarHBondContact OD1-N 3.21Å; M61-S320 PolarHBondContact O-OG 3.37Å; C62-S320 WeakPolarHBondContact CA-OG 3.44Å; C62-S320 WeakPolarHBondContact O-CB 3.25Å; C62-S320 PolarHBondContact O-OG 3.05Å; F63-S320 WeakPolarHBondContact CA-OG 3.46Å; F63-S320 PolarHBondContact N-OG 3.47Å; K129-S320 WeakPolarHBondContact CE-O 3.18Å; K129-S320 VanDerWaalsContact NZ-N 3.19Å; K129-S320 PolarHBondContact NZ-O 3.25Å
321G35.2Very low30.3Very low16 Ų1682.7 Ų82.717%0.16547%0.471CS..  trans82.5107.516600000119K129K129-G321 VanDerWaalsContact CE-O 3.24Å; K129-G321 WeakPolarHBondContact CE-O 3.14Å
322L37Very low30.6Very low32 Ų3281.1 Ų81.117%0.16847%0.471CS..  trans-155.577.3-171.6-149.9167.6000112.6M18 Q125 K128 K129 I132M18-L322 HydrophobicContact CB-CD1 4.26Å; M18-L322 HydrophobicContact CG-CD1 3.89Å; M18-L322 HydrophobicContact CG-CD2 4.29Å; Q125-L322 HydrophobicContact CG-CD1 3.92Å; K128-L322 HydrophobicContact CB-CD1 4.36Å; K128-L322 HydrophobicContact CG-CD1 4.32Å; K129-L322 HydrophobicContact CD-CD1 4.32Å; K129-L322 HydrophobicContact CG-CB 4.47Å; K129-L322 HydrophobicContact CG-CD1 3.38Å; K129-L322 HydrophobicContact CG-CG 3.91Å; I132-L322 HydrophobicContact CD1-CD2 3.54Å; I132-L322 HydrophobicContact CD1-CG 4.21Å
323R40.8Very low30.9Very low59 Ų5982.4 Ų82.422%0.22348%0.48CS..  trans-141.2-21173.4-105.2177.5171.1-162.6-0.4119.2Y19 D83Y19-R323 VanDerWaalsContact CG-CZ 3.48Å; D83-R323 IonicContact OD1-NH1 2.7Å; D83-R323 WeakPolarHBondContact OD2-CB 3.33Å; D83-R323 WeakPolarHBondContact OD2-CD 3.39Å; D83-R323 IonicContact OD2-NH1 3.74Å
324D32.2Very low31.4Very low95 Ų9579 Ų7951%0.50848%0.477SS..G310 helixtrans-94.2-3.4-173.3-60.8-50000117.1A326D324-A326 VanDerWaalsContact C-N 3.34Å; D324-A326 PolarHBondContact O-N 2.83Å
325A34.8Very low31.7Very low70 Ų7083.8 Ų83.858%0.57949%0.494SS*.G310 helixtrans-78.5-13.1-17900000114.6I132I132-A325 HydrophobicContact CG2-CB 3.52Å
326A31.7Very low32.1Very low98 Ų9890 Ų9081%0.8152%0.517SS*.G310 helixtrans-92.9-6.5-17100000115.3D324D324-A326 VanDerWaalsContact C-N 3.34Å; D324-A326 PolarHBondContact O-N 2.83Å
327N26Very low32.6Very low154 Ų15498 Ų9882%0.82455%0.55SS**SBendtrans-128.812.8-170.2-152.346.3000117.2Q329N327-Q329 PolarHBondContact O-N 3.31Å
328R26.5Very low32.3Very low204 Ų204107.7 Ų107.777%0.7759%0.586SS**  trans-97.978.1167-91.6-170.1-176-165.86.4111T330R328-T330 PolarHBondContact O-N 3.27Å
329Q24Very low32.5Very low195 Ų195118.6 Ų118.691%0.91164%0.644SS**  trans-78.197.1146.2-76.7-179.5-11.200106.4N327N327-Q329 PolarHBondContact O-N 3.31Å
330T26Very low32.1Very low106 Ų106124.5 Ų124.565%0.6568%0.676SS**PPolyproline II helixtrans-61.2131.2168.330.90000109.2R328 S332R328-T330 PolarHBondContact O-N 3.27Å; T330-S332 PolarHBondContact O-N 2.82Å
331P27Very low31.7Very low124 Ų124130.9 Ų130.981%0.80571%0.711SS**PPolyproline II helixtrans-64.8131.2178.7-10.524.1000109.6S333P331-S333 PolarHBondContact O-N 3.08Å
332S28.4Very low31.5Very low112 Ų112137.3 Ų137.378%0.78374%0.741SS**PPolyproline II helixtrans-56125.5175.4630000110.7T330 G334T330-S332 PolarHBondContact O-N 2.82Å; S332-G334 VanDerWaalsContact C-N 3.33Å; S332-G334 PolarHBondContact O-N 3.31Å
333S28.7Very low31.1Very low130 Ų130143.5 Ų143.591%0.90978%0.775SS**  trans-5597.1161.6-78.70000109P331P331-S333 PolarHBondContact O-N 3.08Å
334G31Very low30.5Very low64 Ų64148.8 Ų148.866%0.6681%0.809SS**  trans-87.7108.7169.500000109.1S332 K336S332-G334 VanDerWaalsContact C-N 3.33Å; S332-G334 PolarHBondContact O-N 3.31Å; G334-K336 PolarHBondContact O-N 2.83Å
335D29.9Very low30.4Very low162 Ų162152.4 Ų152.487%0.86683%0.829SS**  trans-35.7116.9165.7-83.8-51.1000112.7
336K35.5Very low30.1Very low211 Ų211158.3 Ų158.392%0.91785%0.847SS**  trans-107.986.7154-84.7-174.2176.2179.30108.7G334G334-K336 PolarHBondContact O-N 2.83Å
337K34.4Very low30Very low188 Ų188162.9 Ų162.982%0.81785%0.85SS**  trans-19.1129.9157.3-120.8173174.9-173.60113.9D339K337-D339 PolarHBondContact O-N 3.07Å
338R27.8Very low30.3Very low231 Ų231163.7 Ų163.787%0.87285%0.852SS**  trans-43.8127.3148.9-87.1174.5164.9178.3-5.4109.8
339D44.7Very low30.7Very low237 Ų237160 Ų160100%1.26786%0.86SS**  -139.20124.1-78.9-42.4000107.7K337K337-D339 PolarHBondContact O-N 3.07Å

Retrieved 339 of 339 residues in 472.9 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).