A0A077YXH6_TRITR Loading...

7TM GPCR Srsx domain containing protein

AlphaFold DB , UniProt , Accession A0A077YXH6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 338 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
1M50.7Low64.7Low100 Ų10099.2 Ų99.249%0.49351%0.507SS..  0-3.60-96.8-174.1158.700115.8A3 V21 L176 L276M1-A3 PolarHBondContact O-N 3.33Å; M1-V21 HydrophobicContact CE-CG2 4.32Å; M1-L176 HydrophobicContact CE-CD2 3.44Å; M1-L176 VanDerWaalsContact CE-CD2 3.44Å; M1-L176 HydrophobicContact SD-CD2 4.43Å; M1-L276 HydrophobicContact CE-CD1 4.42Å
2K52.2Low66Low204 Ų20499.8 Ų99.889%0.88751%0.512SS*.  trans-82.787.2168.8-76.8-176.9176.1-177.20109.3
3A54.3Low67.2Low30 Ų30101.8 Ų101.825%0.24852%0.518CS..  trans-84.513816900000109.2M1 I5 T14M1-A3 PolarHBondContact O-N 3.33Å; A3-I5 PolarHBondContact O-N 3.37Å; A3-T14 HydrophobicContact CB-CG2 3.51Å; A3-T14 WeakPolarHBondContact CB-OG1 3.36Å
4E55.6Low68.1Low175 Ų17595.9 Ų95.982%0.81849%0.489SS*.  trans-72.8110.3167.2-82.7179.2162.700108.3
5I58Low69Low30 Ų3096 Ų9615%0.15448%0.481CS..  trans-98.295.5175-62.2173.6000107.4A3 C8 F10 P97 C173 I174 P175A3-I5 PolarHBondContact O-N 3.37Å; I5-C8 VanDerWaalsContact CG2-CA 3.5Å; I5-F10 HydrophobicContact CD1-CD1 4.38Å; I5-F10 HydrophobicContact CD1-CE1 4.02Å; I5-P97 HydrophobicContact CD1-CB 4.01Å; I5-P97 HydrophobicContact CG2-CB 4.36Å; I5-P97 HydrophobicContact CG2-CG 4.05Å; I5-C173 HydrophobicContact CB-CB 4.4Å; I5-C173 HydrophobicContact CG2-CB 3.81Å; I5-I174 VanDerWaalsContact CD1-C 3.42Å; I5-P175 HydrophobicContact CD1-CB 3.93Å; I5-P175 HydrophobicContact CD1-CG 4.3Å; I5-P175 VanDerWaalsContact CD1-N 3.34Å
6E62.1Low69.9Low150 Ų15097.6 Ų97.670%0.70149%0.487SS*.G310 helixtrans-77.2136.3169.4-71.5-169.9158.600110.3C8 T9E6-C8 PolarHBondContact O-N 3.2Å; E6-T9 PolarHBondContact O-N 3.28Å; E6-T9 PolarHBondContact O-OG1 3.04Å
7N69.4Low70.6Confident157 Ų15794.1 Ų94.184%0.8447%0.469SS*.G310 helixtrans50.328.7177.2-70.7-22.4000115.4T9N7-T9 PolarHBondContact O-N 3.17Å
8C73.8Confident71.3Confident62 Ų6289.6 Ų89.642%0.41945%0.447SS..G310 helixtrans55.935.8-177.8-60.10000112.9I5 E6 P97 C173I5-C8 VanDerWaalsContact CG2-CA 3.5Å; E6-C8 PolarHBondContact O-N 3.2Å; C8-P97 HydrophobicContact CB-CG 4Å; C8-P97 WeakPolarHBondContact O-CD 3.26Å; C8-P97 WeakPolarHBondContact O-CG 3.4Å; C8-C173 HydrophobicContact CB-CB 3.91Å; C8-C173 WeakPolarHBondContact CB-SG 3.46Å; C8-C173 WeakPolarHBondContact SG-CB 3.49Å; C8-C173 CovalentContact SG-SG 2.02Å; C8-C173 PolarHBondContact SG-SG 3.47Å
9T78.9Confident71.9Confident89 Ų8986.9 Ų86.955%0.54644%0.436SS..  trans-120.7136.5172.149.60000109.8E6 N7E6-T9 PolarHBondContact O-N 3.28Å; E6-T9 PolarHBondContact O-OG1 3.04Å; N7-T9 PolarHBondContact O-N 3.17Å
10F74.5Confident72.6Confident29 Ų2987.9 Ų87.913%0.12744%0.44CS..  trans-73.6135.7174.6-68.9-60.5000110.5I5 T14 R15 V18 P97 P175I5-F10 HydrophobicContact CD1-CD1 4.38Å; I5-F10 HydrophobicContact CD1-CE1 4.02Å; F10-T14 HydrophobicContact CD1-CG2 3.59Å; F10-T14 HydrophobicContact CE1-CG2 3.97Å; F10-R15 HydrophobicContact CB-CB 3.86Å; F10-R15 HydrophobicContact CG-CB 4.44Å; F10-V18 HydrophobicContact CE1-CG2 4.14Å; F10-V18 HydrophobicContact CZ-CG1 4.37Å; F10-V18 HydrophobicContact CZ-CG2 4.3Å; F10-P97 HydrophobicContact CE1-CB 3.94Å; F10-P97 HydrophobicContact CE2-CB 4.11Å; F10-P97 HydrophobicContact CE2-CG 4.48Å; F10-P97 HydrophobicContact CZ-CB 3.65Å; F10-P97 HydrophobicContact CZ-CG 4.43Å; F10-P175 HydrophobicContact CE1-CB 3.87Å
11D82.5Confident73.1Confident65 Ų6584.3 Ų84.335%0.34842%0.423SS..  trans-63.3160.2154.572.171.6000109.7E13 T14 R15D11-E13 VanDerWaalsContact C-N 3.29Å; D11-E13 PolarHBondContact O-N 3.35Å; D11-E13 WeakPolarHBondContact OD1-CA 3.44Å; D11-E13 WeakPolarHBondContact OD1-CB 3.48Å; D11-E13 PolarHBondContact OD1-N 2.99Å; D11-T14 VanDerWaalsContact CG-OG1 3.29Å; D11-T14 PolarHBondContact O-N 2.92Å; D11-T14 WeakPolarHBondContact OD1-CB 3.46Å; D11-T14 PolarHBondContact OD1-N 3.18Å; D11-T14 PolarHBondContact OD1-OG1 3.28Å; D11-T14 VanDerWaalsContact OD2-CB 3.27Å; D11-T14 WeakPolarHBondContact OD2-CB 3.48Å; D11-T14 PolarHBondContact OD2-OG1 3.39Å; D11-R15 WeakPolarHBondContact O-CB 3.41Å; D11-R15 PolarHBondContact O-N 3.47Å
12N80.2Confident74.7Confident106 Ų10680.3 Ų80.357%0.56740%0.403SS*.Hα-helixtrans-66.7-31.3-171.4-156.945.9000112.7E16N12-E16 WeakPolarHBondContact O-CG 3.43Å; N12-E16 PolarHBondContact O-N 3.37Å
13E81.9Confident76.2Confident126 Ų12680.2 Ų80.259%0.58940%0.397SS*.Hα-helixtrans-72-50.7179.3-177.6177.5173.800110.5D11 R15 E16 H17D11-E13 VanDerWaalsContact C-N 3.29Å; D11-E13 PolarHBondContact O-N 3.35Å; D11-E13 WeakPolarHBondContact OD1-CA 3.44Å; D11-E13 WeakPolarHBondContact OD1-CB 3.48Å; D11-E13 PolarHBondContact OD1-N 2.99Å; E13-R15 VanDerWaalsContact C-N 3.25Å; E13-R15 PolarHBondContact O-N 3.5Å; E13-E16 PolarHBondContact O-N 2.86Å; E13-E16 VanDerWaalsContact O-N 3.15Å; E13-H17 WeakPolarHBondContact CG-NE2 3.45Å; E13-H17 PolarHBondContact O-CD2 3.3Å; E13-H17 PolarHBondContact O-N 3.06Å; E13-H17 IonicContact OE1-NE2 4Å
14T79.8Confident77.7Confident19 Ų1980.1 Ų80.112%0.11740%0.395CS..Hα-helixtrans-56.9-40.9175.2-63.40000111.3A3 F10 D11 H17 V18 P175A3-T14 HydrophobicContact CB-CG2 3.51Å; A3-T14 WeakPolarHBondContact CB-OG1 3.36Å; F10-T14 HydrophobicContact CD1-CG2 3.59Å; F10-T14 HydrophobicContact CE1-CG2 3.97Å; D11-T14 VanDerWaalsContact CG-OG1 3.29Å; D11-T14 PolarHBondContact O-N 2.92Å; D11-T14 WeakPolarHBondContact OD1-CB 3.46Å; D11-T14 PolarHBondContact OD1-N 3.18Å; D11-T14 PolarHBondContact OD1-OG1 3.28Å; D11-T14 VanDerWaalsContact OD2-CB 3.27Å; D11-T14 WeakPolarHBondContact OD2-CB 3.48Å; D11-T14 PolarHBondContact OD2-OG1 3.39Å; T14-H17 PolarHBondContact O-N 3.48Å; T14-V18 HydrophobicContact CG2-CG2 4.24Å; T14-V18 WeakPolarHBondContact O-CB 3.44Å; T14-V18 VanDerWaalsContact O-CG2 3.28Å; T14-V18 WeakPolarHBondContact O-CG2 3.23Å; T14-V18 PolarHBondContact O-N 3.18Å; T14-P175 HydrophobicContact CG2-CB 4.03Å
15R81.1Confident79.2Confident98 Ų9872.8 Ų72.837%0.3736%0.361SS..Hα-helixtrans-59.3-50.4176.1-175-175.2176.4-159.92.8111.6F10 D11 E13 H17 V18 V19 D95F10-R15 HydrophobicContact CB-CB 3.86Å; F10-R15 HydrophobicContact CG-CB 4.44Å; D11-R15 WeakPolarHBondContact O-CB 3.41Å; D11-R15 PolarHBondContact O-N 3.47Å; E13-R15 VanDerWaalsContact C-N 3.25Å; E13-R15 PolarHBondContact O-N 3.5Å; R15-H17 VanDerWaalsContact C-N 3.28Å; R15-H17 PolarHBondContact O-N 2.9Å; R15-V18 PolarHBondContact O-N 2.96Å; R15-V19 HydrophobicContact CG-CG2 4.33Å; R15-V19 WeakPolarHBondContact O-CB 3.08Å; R15-V19 WeakPolarHBondContact O-CG2 3.37Å; R15-V19 PolarHBondContact O-N 3.41Å; R15-D95 IonicContact CZ-OD1 3.11Å; R15-D95 IonicContact CZ-OD2 3.89Å; R15-D95 IonicContact NE-OD1 2.71Å; R15-D95 PolarHBondContact NE-OD1 3.46Å; R15-D95 IonicContact NH2-OD1 2.75Å; R15-D95 PolarHBondContact NH2-OD1 2.86Å; R15-D95 IonicContact NH2-OD2 3Å; R15-D95 PolarHBondContact NH2-OD2 3.2Å
16E83.4Confident80.6Confident121 Ų12171.9 Ų71.957%0.56536%0.36SS*.Hα-helixtrans-59.2-40.8179.4-74.9-177.7-175.800111.7N12 E13 M20N12-E16 WeakPolarHBondContact O-CG 3.43Å; N12-E16 PolarHBondContact O-N 3.37Å; E13-E16 PolarHBondContact O-N 2.86Å; E13-E16 VanDerWaalsContact O-N 3.15Å; E16-M20 WeakPolarHBondContact O-CB 3.28Å; E16-M20 PolarHBondContact O-N 3.37Å
17H81.9Confident81.9Confident39 Ų3968.6 Ų68.618%0.18135%0.349CS..Hα-helixtrans-66.9-45.9177-67.4-53.7000113.1E13 T14 R15 V19 M20 V21 Y269E13-H17 WeakPolarHBondContact CG-NE2 3.45Å; E13-H17 PolarHBondContact O-CD2 3.3Å; E13-H17 PolarHBondContact O-N 3.06Å; E13-H17 IonicContact OE1-NE2 4Å; T14-H17 PolarHBondContact O-N 3.48Å; R15-H17 VanDerWaalsContact C-N 3.28Å; R15-H17 PolarHBondContact O-N 2.9Å; H17-V19 VanDerWaalsContact C-N 3.33Å; H17-V19 PolarHBondContact O-N 3.05Å; H17-M20 PolarHBondContact O-N 3.33Å; H17-V21 WeakPolarHBondContact O-CG2 3.42Å; H17-V21 PolarHBondContact O-N 3.2Å; H17-Y269 HydrophobicContact CB-CE1 3.98Å; H17-Y269 AromaticContact CD2-CE1 4Å; H17-Y269 AromaticContact CD2-CZ 3.53Å; H17-Y269 PolarHBondContact CD2-OH 3.38Å; H17-Y269 AromaticContact CE1-CD2 3.66Å; H17-Y269 AromaticContact CE1-CE1 3.87Å; H17-Y269 AromaticContact CE1-CE2 3.14Å; H17-Y269 WeakPolarHBondContact CE1-CE2 3.39Å; H17-Y269 AromaticContact CE1-CZ 3.27Å; H17-Y269 AromaticContact CG-CE1 3.54Å; H17-Y269 AromaticContact CG-CZ 3.53Å; H17-Y269 AromaticContact ND1-CD1 3.75Å; H17-Y269 AromaticContact ND1-CD2 3.88Å; H17-Y269 AromaticContact ND1-CE1 3.45Å; H17-Y269 WeakPolarHBondContact ND1-CE1 3.24Å; H17-Y269 AromaticContact ND1-CE2 3.58Å; H17-Y269 AromaticContact ND1-CG 3.96Å; H17-Y269 AromaticContact ND1-CZ 3.36Å; H17-Y269 AromaticContact NE2-CE2 3.51Å; H17-Y269 AromaticContact NE2-CZ 3.36Å; H17-Y269 PolarHBondContact NE2-OH 2.85Å; H17-Y269 VanDerWaalsContact NE2-OH 3.16Å
18V82.1Confident83Confident13 Ų1362.5 Ų62.58%0.07932%0.316CS..Hα-helixtrans-61.4-44177.4170.30000110.5F10 T14 R15 M20 V21 L22 P175F10-V18 HydrophobicContact CE1-CG2 4.14Å; F10-V18 HydrophobicContact CZ-CG1 4.37Å; F10-V18 HydrophobicContact CZ-CG2 4.3Å; T14-V18 HydrophobicContact CG2-CG2 4.24Å; T14-V18 WeakPolarHBondContact O-CB 3.44Å; T14-V18 VanDerWaalsContact O-CG2 3.28Å; T14-V18 WeakPolarHBondContact O-CG2 3.23Å; T14-V18 PolarHBondContact O-N 3.18Å; R15-V18 PolarHBondContact O-N 2.96Å; V18-M20 PolarHBondContact O-N 3.21Å; V18-V21 PolarHBondContact O-N 3.11Å; V18-L22 HydrophobicContact CG1-CD1 3.77Å; V18-L22 HydrophobicContact CG1-CG 4.25Å; V18-L22 WeakPolarHBondContact O-CB 3.28Å; V18-L22 VanDerWaalsContact O-CG 3.29Å; V18-L22 WeakPolarHBondContact O-CG 3.47Å; V18-L22 PolarHBondContact O-N 3.41Å; V18-P175 HydrophobicContact CG2-CB 3.98Å; V18-P175 WeakPolarHBondContact CG2-O 3.23Å
19V84.3Confident83.9Confident39 Ų3959.8 Ų59.824%0.23630%0.298CS..Hα-helixtrans-58-47.5175.6169.60000110.8R15 H17 R23 I94R15-V19 HydrophobicContact CG-CG2 4.33Å; R15-V19 WeakPolarHBondContact O-CB 3.08Å; R15-V19 WeakPolarHBondContact O-CG2 3.37Å; R15-V19 PolarHBondContact O-N 3.41Å; H17-V19 VanDerWaalsContact C-N 3.33Å; H17-V19 PolarHBondContact O-N 3.05Å; V19-R23 VanDerWaalsContact O-CB 3.27Å; V19-R23 WeakPolarHBondContact O-CB 3.24Å; V19-R23 PolarHBondContact O-N 2.81Å; V19-I94 HydrophobicContact CB-CD1 4.04Å; V19-I94 HydrophobicContact CB-CG1 4.45Å; V19-I94 HydrophobicContact CG1-CD1 3.82Å; V19-I94 HydrophobicContact CG2-CD1 3.62Å; V19-I94 HydrophobicContact CG2-CG1 3.68Å
20M84.5Confident84.6Confident105 Ų10560.7 Ų60.752%0.51729%0.291SS..Hα-helixtrans-62.3-45.9-179.5-170.7-173.2-5800111.8E16 H17 V18 R23 S24E16-M20 WeakPolarHBondContact O-CB 3.28Å; E16-M20 PolarHBondContact O-N 3.37Å; H17-M20 PolarHBondContact O-N 3.33Å; V18-M20 PolarHBondContact O-N 3.21Å; M20-R23 PolarHBondContact O-N 3.27Å; M20-S24 WeakPolarHBondContact O-CB 3.19Å; M20-S24 PolarHBondContact O-N 2.81Å
21V83.4Confident85.6Confident13 Ų1363.7 Ų63.78%0.07931%0.308CS..Hα-helixtrans-63.7-49.7178.41730000110.8M1 H17 V18 R23 S24 M25 L176 L276M1-V21 HydrophobicContact CE-CG2 4.32Å; H17-V21 WeakPolarHBondContact O-CG2 3.42Å; H17-V21 PolarHBondContact O-N 3.2Å; V18-V21 PolarHBondContact O-N 3.11Å; V21-R23 VanDerWaalsContact C-N 3.3Å; V21-R23 PolarHBondContact O-N 2.93Å; V21-S24 PolarHBondContact O-N 3.37Å; V21-M25 HydrophobicContact CG1-CG 4.21Å; V21-M25 WeakPolarHBondContact O-CB 3.25Å; V21-M25 VanDerWaalsContact O-CG 3.26Å; V21-M25 WeakPolarHBondContact O-CG 3.36Å; V21-M25 PolarHBondContact O-N 3.29Å; V21-L176 HydrophobicContact CG1-CD2 3.88Å; V21-L276 HydrophobicContact CG1-CD1 4.16Å
22L84Confident86.1Confident16 Ų1660.7 Ų60.78%0.08429%0.292CS..Hα-helixtrans-59-42.2179-73.5174.9000111.8V18 M25 G26 I94 L176V18-L22 HydrophobicContact CG1-CD1 3.77Å; V18-L22 HydrophobicContact CG1-CG 4.25Å; V18-L22 WeakPolarHBondContact O-CB 3.28Å; V18-L22 VanDerWaalsContact O-CG 3.29Å; V18-L22 WeakPolarHBondContact O-CG 3.47Å; V18-L22 PolarHBondContact O-N 3.41Å; L22-M25 PolarHBondContact O-N 2.89Å; L22-G26 PolarHBondContact O-N 3.23Å; L22-I94 HydrophobicContact CD1-CG1 4.28Å; L22-L176 HydrophobicContact CD2-CD1 3.93Å; L22-L176 HydrophobicContact CG-CD1 4.35Å
23R83.8Confident86.9Confident202 Ų20257.4 Ų57.476%0.76227%0.273SS*.Hα-helixtrans-66.5-42.5179.1-160.4177.9-158164.35.5112V19 M20 V21 G26V19-R23 VanDerWaalsContact O-CB 3.27Å; V19-R23 WeakPolarHBondContact O-CB 3.24Å; V19-R23 PolarHBondContact O-N 2.81Å; M20-R23 PolarHBondContact O-N 3.27Å; V21-R23 VanDerWaalsContact C-N 3.3Å; V21-R23 PolarHBondContact O-N 2.93Å; R23-G26 PolarHBondContact O-N 3.42Å
24S85.8Confident87.6Confident29 Ų2958.7 Ų58.720%0.20328%0.278CS..Hα-helixtrans-68.3-36.9177.5-173.20000112.6M20 V21 G26 M273 K277M20-S24 WeakPolarHBondContact O-CB 3.19Å; M20-S24 PolarHBondContact O-N 2.81Å; V21-S24 PolarHBondContact O-N 3.37Å; S24-G26 PolarHBondContact O-N 2.85Å; S24-M273 WeakPolarHBondContact CB-SD 3.48Å; S24-M273 PolarHBondContact OG-SD 3.34Å; S24-K277 VanDerWaalsContact OG-CE 3.26Å; S24-K277 WeakPolarHBondContact OG-CE 3.31Å; S24-K277 PolarHBondContact OG-NZ 2.99Å
25M87.6Confident88.4Confident20 Ų2058.6 Ų58.610%0.09928%0.276CS..Hα-helixtrans-74.9-11.4175.7-67-59.6-73.100112.9V21 L22 V27 I28 N29 L276 K277 T280V21-M25 HydrophobicContact CG1-CG 4.21Å; V21-M25 WeakPolarHBondContact O-CB 3.25Å; V21-M25 VanDerWaalsContact O-CG 3.26Å; V21-M25 WeakPolarHBondContact O-CG 3.36Å; V21-M25 PolarHBondContact O-N 3.29Å; L22-M25 PolarHBondContact O-N 2.89Å; M25-V27 VanDerWaalsContact C-N 3.3Å; M25-V27 PolarHBondContact O-N 3.19Å; M25-I28 HydrophobicContact CE-CB 4.21Å; M25-I28 HydrophobicContact CE-CG2 4.02Å; M25-I28 CarbonylContact O-C 3.56Å; M25-I28 WeakPolarHBondContact O-CB 3.44Å; M25-I28 PolarHBondContact O-N 3.42Å; M25-I28 HydrophobicContact SD-CG1 4.34Å; M25-N29 PolarHBondContact O-N 3.48Å; M25-N29 PolarHBondContact O-ND2 3.22Å; M25-L276 HydrophobicContact CE-CB 4.49Å; M25-L276 HydrophobicContact SD-CB 4.28Å; M25-K277 HydrophobicContact SD-CG 3.99Å; M25-T280 HydrophobicContact CE-CG2 4.16Å
26G88.2Confident89.1Confident12 Ų1254 Ų5412%0.12426%0.259CS..Hα-helixtrans-58-35.7-179.300000114.5L22 R23 S24 R30L22-G26 PolarHBondContact O-N 3.23Å; R23-G26 PolarHBondContact O-N 3.42Å; S24-G26 PolarHBondContact O-N 2.85Å; G26-R30 PolarHBondContact O-N 2.95Å
27V89.7Confident89.8Confident80 Ų8051.9 Ų51.949%0.48525%0.251SS..Hα-helixtrans-69.6-43173.9177.50000110.9M25 R30 I31M25-V27 VanDerWaalsContact C-N 3.3Å; M25-V27 PolarHBondContact O-N 3.19Å; V27-R30 PolarHBondContact O-N 3.27Å; V27-I31 HydrophobicContact CG1-CD1 4.12Å; V27-I31 WeakPolarHBondContact O-CG1 3.42Å; V27-I31 PolarHBondContact O-N 3.41Å; V27-I31 VanDerWaalsContact O-N 3.08Å
28I91.6Very high90.6Very high29 Ų2955.1 Ų55.115%0.14927%0.265CS..Hα-helixtrans-64.6-44.8179.6-58.2-59.7000110.8M25 R30 I31 D32 K277 T280M25-I28 HydrophobicContact CE-CB 4.21Å; M25-I28 HydrophobicContact CE-CG2 4.02Å; M25-I28 CarbonylContact O-C 3.56Å; M25-I28 WeakPolarHBondContact O-CB 3.44Å; M25-I28 PolarHBondContact O-N 3.42Å; M25-I28 HydrophobicContact SD-CG1 4.34Å; I28-R30 VanDerWaalsContact C-N 3.26Å; I28-R30 PolarHBondContact O-N 3.33Å; I28-I31 CarbonylContact O-C 3.54Å; I28-I31 WeakPolarHBondContact O-CA 3.35Å; I28-I31 WeakPolarHBondContact O-CB 3.21Å; I28-I31 PolarHBondContact O-N 3.46Å; I28-D32 WeakPolarHBondContact O-CB 3.3Å; I28-D32 PolarHBondContact O-N 3.16Å; I28-K277 HydrophobicContact CD1-CG 4.35Å; I28-K277 HydrophobicContact CG1-CG 4.05Å; I28-T280 HydrophobicContact CG2-CG2 3.47Å; I28-T280 VanDerWaalsContact CG2-CG2 3.47Å
29N92.5Very high91.3Very high5 Ų554.8 Ų54.83%0.02726%0.263CS..Hα-helixtrans-59-37.4176.4-70.3-24.9000111.7M25 D32 I33 A83 M87M25-N29 PolarHBondContact O-N 3.48Å; M25-N29 PolarHBondContact O-ND2 3.22Å; N29-D32 PolarHBondContact O-N 2.95Å; N29-I33 VanDerWaalsContact O-CG1 3.31Å; N29-I33 WeakPolarHBondContact O-CG1 3.31Å; N29-I33 PolarHBondContact O-N 3.38Å; N29-A83 HydrophobicContact CB-CB 4.15Å; N29-M87 HydrophobicContact CB-CG 3.88Å; N29-M87 HydrophobicContact CB-SD 4.22Å
30R94.3Very high91.9Very high108 Ų10853.2 Ų53.241%0.40825%0.254SS..Hα-helixtrans-64.3-46172.7-75.4-172.9-75.1-100.32.1112G26 V27 I28 D32 I33 F34 M87G26-R30 PolarHBondContact O-N 2.95Å; V27-R30 PolarHBondContact O-N 3.27Å; I28-R30 VanDerWaalsContact C-N 3.26Å; I28-R30 PolarHBondContact O-N 3.33Å; R30-D32 VanDerWaalsContact C-N 3.29Å; R30-D32 PolarHBondContact O-N 3.29Å; R30-I33 PolarHBondContact O-N 3.47Å; R30-F34 WeakPolarHBondContact O-CD2 3.47Å; R30-F34 PolarHBondContact O-N 2.92Å; R30-F34 VanDerWaalsContact O-N 3.09Å; R30-M87 HydrophobicContact CG-CE 3.97Å; R30-M87 HydrophobicContact CG-SD 3.89Å
31I94.4Very high92.6Very high93 Ų9352.5 Ų52.548%0.47725%0.251SS..Hα-helixtrans-59.6-43.2176.4-66.5167.9000110.3V27 I28 I33 F34 L35V27-I31 HydrophobicContact CG1-CD1 4.12Å; V27-I31 WeakPolarHBondContact O-CG1 3.42Å; V27-I31 PolarHBondContact O-N 3.41Å; V27-I31 VanDerWaalsContact O-N 3.08Å; I28-I31 CarbonylContact O-C 3.54Å; I28-I31 WeakPolarHBondContact O-CA 3.35Å; I28-I31 WeakPolarHBondContact O-CB 3.21Å; I28-I31 PolarHBondContact O-N 3.46Å; I31-I33 PolarHBondContact O-N 2.84Å; I31-F34 PolarHBondContact O-N 2.92Å; I31-L35 VanDerWaalsContact O-CB 3.26Å; I31-L35 WeakPolarHBondContact O-CB 3.28Å; I31-L35 PolarHBondContact O-N 3.19Å
32D94.5Very high93.2Very high2 Ų254.3 Ų54.31%0.01126%0.26CS..Hα-helixtrans-61.5-40.3177.5-78.1-18.4000112.3I28 N29 R30 L35 G36 I79 R82 A83 H283I28-D32 WeakPolarHBondContact O-CB 3.3Å; I28-D32 PolarHBondContact O-N 3.16Å; N29-D32 PolarHBondContact O-N 2.95Å; R30-D32 VanDerWaalsContact C-N 3.29Å; R30-D32 PolarHBondContact O-N 3.29Å; D32-L35 PolarHBondContact O-N 2.74Å; D32-G36 WeakPolarHBondContact O-CA 3.24Å; D32-G36 PolarHBondContact O-N 3.27Å; D32-I79 HydrophobicContact CB-CG2 3.77Å; D32-R82 IonicContact OD2-CZ 2.81Å; D32-R82 IonicContact OD2-NH2 3.2Å; D32-R82 PolarHBondContact OD2-NH2 3.19Å; D32-A83 HydrophobicContact CB-CB 4.07Å; D32-H283 IonicContact OD1-CE1 3.23Å; D32-H283 IonicContact OD1-CG 2.82Å; D32-H283 IonicContact OD1-ND1 3.11Å; D32-H283 PolarHBondContact OD1-ND1 3.08Å; D32-H283 IonicContact OD2-CE1 3.69Å; D32-H283 PolarHBondContact OD2-CE1 3.44Å; D32-H283 VanDerWaalsContact OD2-CE1 3.23Å; D32-H283 IonicContact OD2-ND1 3.76Å; D32-H283 PolarHBondContact OD2-ND1 2.99Å; D32-H283 VanDerWaalsContact OD2-ND1 3.11Å
33I96.6Very high93.9Very high36 Ų3653.6 Ų53.619%0.18526%0.256CS..Hα-helixtrans-61.5-50173.5-69.3166.4000110.1N29 R30 I31 L35 G36 I37 A83 M87N29-I33 VanDerWaalsContact O-CG1 3.31Å; N29-I33 WeakPolarHBondContact O-CG1 3.31Å; N29-I33 PolarHBondContact O-N 3.38Å; R30-I33 PolarHBondContact O-N 3.47Å; I31-I33 PolarHBondContact O-N 2.84Å; I33-L35 VanDerWaalsContact C-N 3.35Å; I33-L35 PolarHBondContact O-N 3.01Å; I33-G36 PolarHBondContact O-N 3.42Å; I33-I37 HydrophobicContact CG2-CD1 3.79Å; I33-I37 HydrophobicContact CG2-CG1 4.49Å; I33-I37 WeakPolarHBondContact O-CB 3.41Å; I33-I37 VanDerWaalsContact O-CG1 3.23Å; I33-I37 WeakPolarHBondContact O-CG1 3.28Å; I33-I37 PolarHBondContact O-N 3.3Å; I33-A83 HydrophobicContact CD1-CB 4.25Å; I33-A83 HydrophobicContact CG1-CB 3.67Å; I33-M87 HydrophobicContact CD1-SD 3.67Å
34F96.8Very high94.5Very high154 Ų15446.6 Ų46.668%0.67524%0.238SC*.Hα-helixtrans-60.1-45.1178.5-81.2-71.1000112R30 I31 I37 F38R30-F34 WeakPolarHBondContact O-CD2 3.47Å; R30-F34 PolarHBondContact O-N 2.92Å; R30-F34 VanDerWaalsContact O-N 3.09Å; I31-F34 PolarHBondContact O-N 2.92Å; F34-I37 PolarHBondContact O-N 3.37Å; F34-F38 WeakPolarHBondContact O-CB 3.41Å; F34-F38 PolarHBondContact O-N 3.32Å
35L95.5Very high95Very high17 Ų1746.8 Ų46.89%0.08924%0.236CC..Hα-helixtrans-63.4-47.8178.2178.963000111.2I31 D32 I33 I37 F38 V39 H283 L284 L287I31-L35 VanDerWaalsContact O-CB 3.26Å; I31-L35 WeakPolarHBondContact O-CB 3.28Å; I31-L35 PolarHBondContact O-N 3.19Å; D32-L35 PolarHBondContact O-N 2.74Å; I33-L35 VanDerWaalsContact C-N 3.35Å; I33-L35 PolarHBondContact O-N 3.01Å; L35-I37 VanDerWaalsContact C-N 3.33Å; L35-I37 PolarHBondContact O-N 3.37Å; L35-F38 PolarHBondContact O-N 3.08Å; L35-F38 VanDerWaalsContact O-N 3.16Å; L35-V39 HydrophobicContact CD1-CG2 4.12Å; L35-V39 HydrophobicContact CG-CG2 4.42Å; L35-V39 WeakPolarHBondContact O-CB 3.15Å; L35-V39 WeakPolarHBondContact O-CG2 3.38Å; L35-V39 PolarHBondContact O-N 2.97Å; L35-H283 HydrophobicContact CD2-CB 3.87Å; L35-H283 WeakPolarHBondContact CD2-O 3.47Å; L35-L284 HydrophobicContact CD1-CD2 4Å; L35-L284 HydrophobicContact CD2-CD2 3.65Å; L35-L284 HydrophobicContact CD2-CG 4.24Å; L35-L284 HydrophobicContact CG-CD2 4.5Å; L35-L287 HydrophobicContact CD1-CB 4.12Å; L35-L287 HydrophobicContact CD1-CD2 3.85Å
36G96.6Very high95.5Very high1 Ų146.1 Ų46.11%0.0123%0.234CC..Hα-helixtrans-60.5-40.817800000112D32 I33 S40D32-G36 WeakPolarHBondContact O-CA 3.24Å; D32-G36 PolarHBondContact O-N 3.27Å; I33-G36 PolarHBondContact O-N 3.42Å; G36-S40 WeakPolarHBondContact O-CB 3.29Å; G36-S40 PolarHBondContact O-N 3.01Å; G36-S40 PolarHBondContact O-OG 3.4Å
37I98Very high95.9Very high77 Ų7746.8 Ų46.840%0.39524%0.236SC..Hα-helixtrans-61.2-48.9173.7-71.1166.6000109.9I33 F34 L35 S40 I41 I80I33-I37 HydrophobicContact CG2-CD1 3.79Å; I33-I37 HydrophobicContact CG2-CG1 4.49Å; I33-I37 WeakPolarHBondContact O-CB 3.41Å; I33-I37 VanDerWaalsContact O-CG1 3.23Å; I33-I37 WeakPolarHBondContact O-CG1 3.28Å; I33-I37 PolarHBondContact O-N 3.3Å; F34-I37 PolarHBondContact O-N 3.37Å; L35-I37 VanDerWaalsContact C-N 3.33Å; L35-I37 PolarHBondContact O-N 3.37Å; I37-S40 PolarHBondContact O-N 3.35Å; I37-I41 HydrophobicContact CG2-CD1 3.69Å; I37-I41 HydrophobicContact CG2-CG1 4.44Å; I37-I41 WeakPolarHBondContact O-CB 3.44Å; I37-I41 VanDerWaalsContact O-CG1 3.29Å; I37-I41 WeakPolarHBondContact O-CG1 3.4Å; I37-I41 PolarHBondContact O-N 3.45Å; I37-I80 HydrophobicContact CG1-CD1 3.78Å; I37-I80 HydrophobicContact CG1-CG1 4.29Å
38F97.3Very high96.3Very high107 Ų10745.2 Ų45.247%0.46923%0.228SC..Hα-helixtrans-63.7-46.4-177.7-165.6-110.4000112F34 L35 S40 I41 L42 L287F34-F38 WeakPolarHBondContact O-CB 3.41Å; F34-F38 PolarHBondContact O-N 3.32Å; L35-F38 PolarHBondContact O-N 3.08Å; L35-F38 VanDerWaalsContact O-N 3.16Å; F38-S40 VanDerWaalsContact C-N 3.34Å; F38-S40 PolarHBondContact O-N 3.47Å; F38-I41 PolarHBondContact O-N 2.7Å; F38-L42 HydrophobicContact CD1-CD1 3.68Å; F38-L42 HydrophobicContact CD1-CG 4.32Å; F38-L42 HydrophobicContact CE1-CD1 3.29Å; F38-L42 HydrophobicContact CE1-CG 4.13Å; F38-L42 HydrophobicContact CG-CD1 4.46Å; F38-L42 HydrophobicContact CZ-CD1 3.77Å; F38-L42 HydrophobicContact CZ-CG 4.25Å; F38-L42 WeakPolarHBondContact O-CB 3.42Å; F38-L42 WeakPolarHBondContact O-CG 3.4Å; F38-L42 PolarHBondContact O-N 2.95Å; F38-L287 HydrophobicContact CD1-CD1 3.81Å; F38-L287 HydrophobicContact CE1-CD1 3.69Å
39V97.3Very high96.4Very high5 Ų544 Ų443%0.0322%0.222CC..Hα-helixtrans-61.1-43.3175.4171.50000110.8L35 L42 S43 L287L35-V39 HydrophobicContact CD1-CG2 4.12Å; L35-V39 HydrophobicContact CG-CG2 4.42Å; L35-V39 WeakPolarHBondContact O-CB 3.15Å; L35-V39 WeakPolarHBondContact O-CG2 3.38Å; L35-V39 PolarHBondContact O-N 2.97Å; V39-L42 PolarHBondContact O-N 3.04Å; V39-S43 WeakPolarHBondContact O-CB 3.29Å; V39-S43 PolarHBondContact O-N 3.17Å; V39-S43 PolarHBondContact O-OG 3.36Å; V39-L287 HydrophobicContact CG2-CB 3.92Å
40S98Very high96.6Very high7 Ų743.7 Ų43.75%0.04922%0.221CC..Hα-helixtrans-63.4-45.5179-60.90000111.7G36 I37 F38 S43 S44 F73 I77G36-S40 WeakPolarHBondContact O-CB 3.29Å; G36-S40 PolarHBondContact O-N 3.01Å; G36-S40 PolarHBondContact O-OG 3.4Å; I37-S40 PolarHBondContact O-N 3.35Å; F38-S40 VanDerWaalsContact C-N 3.34Å; F38-S40 PolarHBondContact O-N 3.47Å; S40-S43 PolarHBondContact O-N 3.49Å; S40-S44 WeakPolarHBondContact O-CB 3.31Å; S40-S44 PolarHBondContact O-N 3.34Å; S40-F73 WeakPolarHBondContact O-CD2 3.44Å; S40-I77 PolarHBondContact OG-N 2.96Å
41I97.7Very high96.7Very high90 Ų9042.7 Ų42.746%0.46222%0.222SC..Hα-helixtrans-63-50.5177.3-69.6170.2000110.6I37 F38 S43 S44 I45I37-I41 HydrophobicContact CG2-CD1 3.69Å; I37-I41 HydrophobicContact CG2-CG1 4.44Å; I37-I41 WeakPolarHBondContact O-CB 3.44Å; I37-I41 VanDerWaalsContact O-CG1 3.29Å; I37-I41 WeakPolarHBondContact O-CG1 3.4Å; I37-I41 PolarHBondContact O-N 3.45Å; F38-I41 PolarHBondContact O-N 2.7Å; I41-S43 VanDerWaalsContact C-N 3.32Å; I41-S43 PolarHBondContact O-N 2.84Å; I41-S44 PolarHBondContact O-N 3.16Å; I41-I45 HydrophobicContact CG2-CD1 3.73Å; I41-I45 HydrophobicContact CG2-CG1 4.48Å; I41-I45 VanDerWaalsContact O-CG1 3.31Å; I41-I45 WeakPolarHBondContact O-CG1 3.43Å; I41-I45 PolarHBondContact O-N 3.19Å
42L96.8Very high96.6Very high51 Ų5143.1 Ų43.127%0.26722%0.224SC..Hα-helixtrans-63.2-39.4-179.8-72.3-176.2000112F38 V39 I45 S46 L287 L290F38-L42 HydrophobicContact CD1-CD1 3.68Å; F38-L42 HydrophobicContact CD1-CG 4.32Å; F38-L42 HydrophobicContact CE1-CD1 3.29Å; F38-L42 HydrophobicContact CE1-CG 4.13Å; F38-L42 HydrophobicContact CG-CD1 4.46Å; F38-L42 HydrophobicContact CZ-CD1 3.77Å; F38-L42 HydrophobicContact CZ-CG 4.25Å; F38-L42 WeakPolarHBondContact O-CB 3.42Å; F38-L42 WeakPolarHBondContact O-CG 3.4Å; F38-L42 PolarHBondContact O-N 2.95Å; V39-L42 PolarHBondContact O-N 3.04Å; L42-I45 PolarHBondContact O-N 3.44Å; L42-S46 WeakPolarHBondContact O-CB 3.05Å; L42-S46 PolarHBondContact O-N 3.43Å; L42-S46 PolarHBondContact O-OG 3.04Å; L42-L287 HydrophobicContact CD1-CD1 4.09Å; L42-L290 HydrophobicContact CB-CD1 3.81Å
43S97.8Very high96.6Very high0 Ų045.3 Ų45.30%024%0.235CC..Hα-helixtrans-64.5-42.6176.2-64.90000111.6V39 S40 I41 S46 T47 C69 Y72V39-S43 WeakPolarHBondContact O-CB 3.29Å; V39-S43 PolarHBondContact O-N 3.17Å; V39-S43 PolarHBondContact O-OG 3.36Å; S40-S43 PolarHBondContact O-N 3.49Å; I41-S43 VanDerWaalsContact C-N 3.32Å; I41-S43 PolarHBondContact O-N 2.84Å; S43-S46 PolarHBondContact O-N 3Å; S43-T47 WeakPolarHBondContact O-CB 3.21Å; S43-T47 PolarHBondContact O-N 2.88Å; S43-T47 PolarHBondContact O-OG1 3.42Å; S43-C69 WeakPolarHBondContact CB-O 3.49Å; S43-Y72 WeakPolarHBondContact OG-CB 3.34Å
44S97.7Very high96.4Very high56 Ų5650.5 Ų50.539%0.39226%0.257SS..Hα-helixtrans-61-50.4174.9-178.90000111.3S40 I41 S46 T47 S48S40-S44 WeakPolarHBondContact O-CB 3.31Å; S40-S44 PolarHBondContact O-N 3.34Å; I41-S44 PolarHBondContact O-N 3.16Å; S44-S46 VanDerWaalsContact C-N 3.3Å; S44-S46 PolarHBondContact O-N 3.27Å; S44-T47 PolarHBondContact O-N 3.38Å; S44-S48 WeakPolarHBondContact O-CB 3.47Å; S44-S48 PolarHBondContact O-N 3.23Å; S44-S48 PolarHBondContact O-OG 2.75Å; S44-S48 VanDerWaalsContact O-OG 3.1Å
45I97Very high96.2Very high32 Ų3248.4 Ų48.416%0.16425%0.252CS..Hα-helixtrans-58-44.2176.7-68.1167.4000110.8I41 L42 S48 A49 V304 L307 L308I41-I45 HydrophobicContact CG2-CD1 3.73Å; I41-I45 HydrophobicContact CG2-CG1 4.48Å; I41-I45 VanDerWaalsContact O-CG1 3.31Å; I41-I45 WeakPolarHBondContact O-CG1 3.43Å; I41-I45 PolarHBondContact O-N 3.19Å; L42-I45 PolarHBondContact O-N 3.44Å; I45-S48 PolarHBondContact O-N 2.86Å; I45-A49 VanDerWaalsContact O-CB 3.26Å; I45-A49 WeakPolarHBondContact O-CB 3.45Å; I45-A49 PolarHBondContact O-N 3.37Å; I45-V304 HydrophobicContact CG2-CG1 4.08Å; I45-L307 HydrophobicContact CG2-CD2 4.31Å; I45-L308 HydrophobicContact CD1-CD2 4.4Å; I45-L308 HydrophobicContact CG2-CD2 4.41Å
46S96.8Very high96Very high7 Ų747.8 Ų47.85%0.04925%0.249CC..Hα-helixtrans-63.4-46.8-179.6-63.60000111.9L42 S43 S44 A49 I50 F300L42-S46 WeakPolarHBondContact O-CB 3.05Å; L42-S46 PolarHBondContact O-N 3.43Å; L42-S46 PolarHBondContact O-OG 3.04Å; S43-S46 PolarHBondContact O-N 3Å; S44-S46 VanDerWaalsContact C-N 3.3Å; S44-S46 PolarHBondContact O-N 3.27Å; S46-A49 PolarHBondContact O-N 3.41Å; S46-I50 WeakPolarHBondContact O-CG1 3.49Å; S46-I50 PolarHBondContact O-N 2.98Å; S46-I50 VanDerWaalsContact O-N 3.13Å; S46-F300 WeakPolarHBondContact OG-CZ 3.49Å
47T97.5Very high95.6Very high26 Ų2652.7 Ų52.716%0.1627%0.267CS..Hα-helixtrans-60.5-50.8175-61.90000110.5S43 S44 A49 I50 M51 A66 C69 V70S43-T47 WeakPolarHBondContact O-CB 3.21Å; S43-T47 PolarHBondContact O-N 2.88Å; S43-T47 PolarHBondContact O-OG1 3.42Å; S44-T47 PolarHBondContact O-N 3.38Å; T47-A49 VanDerWaalsContact C-N 3.32Å; T47-A49 PolarHBondContact O-N 2.94Å; T47-I50 PolarHBondContact O-N 3.28Å; T47-M51 HydrophobicContact CG2-CG 4.27Å; T47-M51 WeakPolarHBondContact O-CB 3.34Å; T47-M51 VanDerWaalsContact O-CG 3.24Å; T47-M51 WeakPolarHBondContact O-CG 3.34Å; T47-M51 PolarHBondContact O-N 3.45Å; T47-A66 HydrophobicContact CG2-CB 4.47Å; T47-C69 WeakPolarHBondContact OG1-CB 3.28Å; T47-V70 HydrophobicContact CG2-CG2 3.87Å
48S96.6Very high95.2Very high47 Ų4757 Ų5733%0.32928%0.279SS..Hα-helixtrans-58.5-42.7178-63.20000112.1S44 I45 I50 M51 I52S44-S48 WeakPolarHBondContact O-CB 3.47Å; S44-S48 PolarHBondContact O-N 3.23Å; S44-S48 PolarHBondContact O-OG 2.75Å; S44-S48 VanDerWaalsContact O-OG 3.1Å; I45-S48 PolarHBondContact O-N 2.86Å; S48-I50 VanDerWaalsContact C-N 3.34Å; S48-I50 PolarHBondContact O-N 2.9Å; S48-M51 PolarHBondContact O-N 2.89Å; S48-I52 WeakPolarHBondContact O-CB 3.36Å; S48-I52 WeakPolarHBondContact O-CD1 3.41Å; S48-I52 VanDerWaalsContact O-CG1 3.22Å; S48-I52 WeakPolarHBondContact O-CG1 3.23Å; S48-I52 PolarHBondContact O-N 3.45Å
49A95.6Very high94.9Very high2 Ų256.5 Ų56.52%0.01728%0.276CS..Hα-helixtrans-60-43.7178.800000111.8I45 S46 T47 D53 A303 V304 L307I45-A49 VanDerWaalsContact O-CB 3.26Å; I45-A49 WeakPolarHBondContact O-CB 3.45Å; I45-A49 PolarHBondContact O-N 3.37Å; S46-A49 PolarHBondContact O-N 3.41Å; T47-A49 VanDerWaalsContact C-N 3.32Å; T47-A49 PolarHBondContact O-N 2.94Å; A49-D53 WeakPolarHBondContact O-CB 3.38Å; A49-D53 PolarHBondContact O-N 3.43Å; A49-D53 VanDerWaalsContact O-N 3.15Å; A49-A303 HydrophobicContact CB-CB 4.19Å; A49-V304 HydrophobicContact CB-CB 4.43Å; A49-V304 HydrophobicContact CB-CG2 3.81Å; A49-L307 HydrophobicContact CB-CB 4.43Å; A49-L307 HydrophobicContact CB-CD2 4.04Å
50I95.7Very high94.6Very high0 Ų057 Ų570%028%0.279CS..Hα-helixtrans-66.9-42.2176.2-65.3166.8000111.3S46 T47 S48 L56 Y62 T65 A66 F300S46-I50 WeakPolarHBondContact O-CG1 3.49Å; S46-I50 PolarHBondContact O-N 2.98Å; S46-I50 VanDerWaalsContact O-N 3.13Å; T47-I50 PolarHBondContact O-N 3.28Å; S48-I50 VanDerWaalsContact C-N 3.34Å; S48-I50 PolarHBondContact O-N 2.9Å; I50-L56 HydrophobicContact CG1-CD1 4.29Å; I50-L56 HydrophobicContact CG2-CB 4.33Å; I50-Y62 WeakPolarHBondContact CG2-O 3.43Å; I50-T65 HydrophobicContact CD1-CG2 4.08Å; I50-A66 HydrophobicContact CB-CB 4.2Å; I50-A66 HydrophobicContact CD1-CB 4.05Å; I50-A66 HydrophobicContact CG2-CB 3.95Å; I50-F300 HydrophobicContact CD1-CD2 3.94Å; I50-F300 HydrophobicContact CD1-CE2 3.83Å; I50-F300 HydrophobicContact CG1-CD2 3.94Å; I50-F300 HydrophobicContact CG1-CE2 4.08Å
51M95.5Very high94.2Very high87 Ų8756.7 Ų56.743%0.42928%0.277SS..Hα-helixtrans-71.9-32.6-175.3-68.6-57.3-73.600113.1T47 S48 R57 L63T47-M51 HydrophobicContact CG2-CG 4.27Å; T47-M51 WeakPolarHBondContact O-CB 3.34Å; T47-M51 VanDerWaalsContact O-CG 3.24Å; T47-M51 WeakPolarHBondContact O-CG 3.34Å; T47-M51 PolarHBondContact O-N 3.45Å; S48-M51 PolarHBondContact O-N 2.89Å; M51-R57 PolarHBondContact O-NH1 3.01Å; M51-L63 HydrophobicContact SD-CD2 4.07Å
52I94.4Very high94.1Very high102 Ų10252.8 Ų52.852%0.52326%0.256SS..Hα-helixtrans-76.8-39.3176.9-68.3166.3000110.9S48 K54 L307S48-I52 WeakPolarHBondContact O-CB 3.36Å; S48-I52 WeakPolarHBondContact O-CD1 3.41Å; S48-I52 VanDerWaalsContact O-CG1 3.22Å; S48-I52 WeakPolarHBondContact O-CG1 3.23Å; S48-I52 PolarHBondContact O-N 3.45Å; I52-K54 PolarHBondContact O-N 2.91Å; I52-K54 VanDerWaalsContact O-N 3.14Å; I52-L307 HydrophobicContact CD1-CD1 3.51Å
53D94Very high94Very high47 Ų4751.1 Ų51.125%0.25125%0.248SC..  trans-73.1107.2-179.4-169.8-42.8000111.9A49 N55 L56 R57 A303A49-D53 WeakPolarHBondContact O-CB 3.38Å; A49-D53 PolarHBondContact O-N 3.43Å; A49-D53 VanDerWaalsContact O-N 3.15Å; D53-N55 PolarHBondContact O-N 3.17Å; D53-N55 WeakPolarHBondContact OD1-CA 3.28Å; D53-N55 VanDerWaalsContact OD1-CB 3.25Å; D53-N55 WeakPolarHBondContact OD1-CB 3.47Å; D53-N55 PolarHBondContact OD1-N 3.28Å; D53-L56 HydrophobicContact CB-CB 4.12Å; D53-L56 HydrophobicContact CB-CD1 4.12Å; D53-L56 HydrophobicContact CB-CG 3.99Å; D53-L56 PolarHBondContact O-N 3.46Å; D53-L56 PolarHBondContact OD1-N 3.34Å; D53-L56 VanDerWaalsContact OD1-N 3.16Å; D53-R57 WeakPolarHBondContact O-CB 3.47Å; D53-R57 PolarHBondContact O-N 3.22Å; D53-A303 HydrophobicContact CB-CB 4.2Å
54K91.8Very high93.8Very high146 Ų14651.2 Ų51.264%0.63525%0.248SC*.Hα-helixtrans-58-30.1179.1-66.1-179.3-177.8176.20113.2I52 R58I52-K54 PolarHBondContact O-N 2.91Å; I52-K54 VanDerWaalsContact O-N 3.14Å; K54-R58 WeakPolarHBondContact O-CD 3.48Å; K54-R58 VanDerWaalsContact O-CG 3.23Å; K54-R58 WeakPolarHBondContact O-CG 3.36Å; K54-R58 PolarHBondContact O-N 2.83Å
55N92.1Very high93.7Very high109 Ų10948.6 Ų48.658%0.58323%0.23SC*.Hα-helixtrans-76.9-38.5-179.7-65-44.6000111.7D53D53-N55 PolarHBondContact O-N 3.17Å; D53-N55 WeakPolarHBondContact OD1-CA 3.28Å; D53-N55 VanDerWaalsContact OD1-CB 3.25Å; D53-N55 WeakPolarHBondContact OD1-CB 3.47Å; D53-N55 PolarHBondContact OD1-N 3.28Å
56L90.9Very high93.7Very high4 Ų447.3 Ų47.32%0.02122%0.224CC..Hα-helixtrans-69.1-47.7174.8-64.4-171.6000110.9I50 D53 R58 K59 Y62 E299 A303I50-L56 HydrophobicContact CG1-CD1 4.29Å; I50-L56 HydrophobicContact CG2-CB 4.33Å; D53-L56 HydrophobicContact CB-CB 4.12Å; D53-L56 HydrophobicContact CB-CD1 4.12Å; D53-L56 HydrophobicContact CB-CG 3.99Å; D53-L56 PolarHBondContact O-N 3.46Å; D53-L56 PolarHBondContact OD1-N 3.34Å; D53-L56 VanDerWaalsContact OD1-N 3.16Å; L56-R58 PolarHBondContact O-N 2.98Å; L56-K59 PolarHBondContact O-N 3.26Å; L56-Y62 HydrophobicContact CB-CD1 4.39Å; L56-Y62 HydrophobicContact CB-CG 4.24Å; L56-Y62 HydrophobicContact CD1-CD1 4.3Å; L56-Y62 HydrophobicContact CD2-CD1 3.72Å; L56-Y62 HydrophobicContact CD2-CD2 4.19Å; L56-Y62 HydrophobicContact CD2-CE1 3.58Å; L56-Y62 HydrophobicContact CD2-CE2 4.07Å; L56-Y62 HydrophobicContact CD2-CG 4Å; L56-Y62 HydrophobicContact CG-CD1 4.37Å; L56-E299 HydrophobicContact CD2-CB 3.78Å; L56-A303 HydrophobicContact CD1-CB 3.48Å; L56-A303 VanDerWaalsContact CD1-CB 3.48Å
57R90Very high93.6Very high104 Ų10450.3 Ų50.339%0.39224%0.236SC..Hα-helixtrans-57.4-24.7179.7-164.4171.468.8-153.610114.1M51 D53 K59 L63M51-R57 PolarHBondContact O-NH1 3.01Å; D53-R57 WeakPolarHBondContact O-CB 3.47Å; D53-R57 PolarHBondContact O-N 3.22Å; R57-K59 PolarHBondContact O-N 3.15Å; R57-L63 HydrophobicContact CG-CD2 3.92Å; R57-L63 WeakPolarHBondContact O-CD1 3.29Å
58R88.5Confident93.6Very high169 Ų16949.3 Ų49.364%0.63823%0.23SC*.THydrogen-bonded Turntrans-72-12.6177.5-81.2172.1177.7-165.8-0.3114.2K54 L56 K143K54-R58 WeakPolarHBondContact O-CD 3.48Å; K54-R58 VanDerWaalsContact O-CG 3.23Å; K54-R58 WeakPolarHBondContact O-CG 3.36Å; K54-R58 PolarHBondContact O-N 2.83Å; L56-R58 PolarHBondContact O-N 2.98Å; R58-K143 PolarHBondContact O-NZ 3.21Å
59K90.5Very high93.6Very high96 Ų9647 Ų4742%0.41721%0.214SC..SBendtrans-113119.2-174.2-64.9174.8-175173.70110.1L56 R57 A61 Y62 L63L56-K59 PolarHBondContact O-N 3.26Å; R57-K59 PolarHBondContact O-N 3.15Å; K59-A61 VanDerWaalsContact C-N 3.26Å; K59-A61 PolarHBondContact O-N 3.11Å; K59-A61 VanDerWaalsContact O-N 3.15Å; K59-Y62 HydrophobicContact CB-CD2 3.69Å; K59-Y62 HydrophobicContact CB-CE2 4.38Å; K59-Y62 HydrophobicContact CD-CD2 3.67Å; K59-Y62 HydrophobicContact CD-CE2 3.52Å; K59-Y62 HydrophobicContact CG-CD2 4.34Å; K59-Y62 PolarHBondContact O-N 3.06Å; K59-L63 PolarHBondContact O-N 3.09Å
60N91Very high93.7Very high14 Ų1449.2 Ų49.28%0.07523%0.227CC..Hα-helixtrans-53.1-39.4-177.4-60.27.2000113.4Y62 L63 L64 Y138 I147N60-Y62 VanDerWaalsContact C-N 3.27Å; N60-Y62 PolarHBondContact O-N 3.06Å; N60-L63 PolarHBondContact O-N 3.06Å; N60-L63 VanDerWaalsContact O-N 3.12Å; N60-L64 PolarHBondContact O-N 3.45Å; N60-Y138 WeakPolarHBondContact CB-OH 3.07Å; N60-Y138 PolarHBondContact ND2-OH 2.94Å; N60-I147 HydrophobicContact CB-CD1 4.11Å; N60-I147 HydrophobicContact CB-CG1 4.43Å
61A91.4Very high93.8Very high2 Ų249.2 Ų49.22%0.01723%0.227CC..Hα-helixtrans-54.6-40.4176.600000113.5K59 T65 L238 F242K59-A61 VanDerWaalsContact C-N 3.26Å; K59-A61 PolarHBondContact O-N 3.11Å; K59-A61 VanDerWaalsContact O-N 3.15Å; A61-T65 WeakPolarHBondContact O-CB 3.44Å; A61-T65 PolarHBondContact O-N 3.05Å; A61-T65 PolarHBondContact O-OG1 3.34Å; A61-L238 HydrophobicContact CB-CD2 4.27Å; A61-F242 HydrophobicContact CB-CE2 4.2Å; A61-F242 HydrophobicContact CB-CZ 4.3Å
62Y93.9Very high93.9Very high7 Ų745.1 Ų45.13%0.02721%0.207CC..Hα-helixtrans-77.6-33-179.9-71-87.9000111.5I50 L56 K59 N60 T65 A66 I297 E299 F300I50-Y62 WeakPolarHBondContact CG2-O 3.43Å; L56-Y62 HydrophobicContact CB-CD1 4.39Å; L56-Y62 HydrophobicContact CB-CG 4.24Å; L56-Y62 HydrophobicContact CD1-CD1 4.3Å; L56-Y62 HydrophobicContact CD2-CD1 3.72Å; L56-Y62 HydrophobicContact CD2-CD2 4.19Å; L56-Y62 HydrophobicContact CD2-CE1 3.58Å; L56-Y62 HydrophobicContact CD2-CE2 4.07Å; L56-Y62 HydrophobicContact CD2-CG 4Å; L56-Y62 HydrophobicContact CG-CD1 4.37Å; K59-Y62 HydrophobicContact CB-CD2 3.69Å; K59-Y62 HydrophobicContact CB-CE2 4.38Å; K59-Y62 HydrophobicContact CD-CD2 3.67Å; K59-Y62 HydrophobicContact CD-CE2 3.52Å; K59-Y62 HydrophobicContact CG-CD2 4.34Å; K59-Y62 PolarHBondContact O-N 3.06Å; N60-Y62 VanDerWaalsContact C-N 3.27Å; N60-Y62 PolarHBondContact O-N 3.06Å; Y62-T65 CarbonylContact O-C 3.56Å; Y62-T65 WeakPolarHBondContact O-CB 3.46Å; Y62-T65 PolarHBondContact O-N 2.94Å; Y62-A66 PolarHBondContact O-N 3.22Å; Y62-I297 HydrophobicContact CE1-CG2 3.84Å; Y62-E299 PolarHBondContact OH-OE2 3.32Å; Y62-F300 HydrophobicContact CE1-CB 4.43Å
63L94.5Very high94.1Very high17 Ų1744 Ų449%0.08920%0.199CC..Hα-helixtrans-61.8-45.4171-75.5174.2000111.3M51 R57 K59 N60 T65 A66 F67 I147M51-L63 HydrophobicContact SD-CD2 4.07Å; R57-L63 HydrophobicContact CG-CD2 3.92Å; R57-L63 WeakPolarHBondContact O-CD1 3.29Å; K59-L63 PolarHBondContact O-N 3.09Å; N60-L63 PolarHBondContact O-N 3.06Å; N60-L63 VanDerWaalsContact O-N 3.12Å; L63-T65 VanDerWaalsContact C-N 3.31Å; L63-T65 PolarHBondContact O-N 2.89Å; L63-A66 WeakPolarHBondContact O-CB 3.4Å; L63-A66 PolarHBondContact O-N 3.04Å; L63-A66 VanDerWaalsContact O-N 3.07Å; L63-F67 WeakPolarHBondContact O-CD2 3.42Å; L63-F67 PolarHBondContact O-N 2.96Å; L63-I147 HydrophobicContact CB-CD1 3.99Å; L63-I147 HydrophobicContact CD1-CD1 3.29Å; L63-I147 HydrophobicContact CG-CD1 4.27Å
64L94.4Very high94.3Very high1 Ų144.2 Ų44.21%0.00520%0.199CC..Hα-helixtrans-62.5-37.7172.5-68.6172.2000112N60 A66 F67 L68 V120 T124 D127N60-L64 PolarHBondContact O-N 3.45Å; L64-A66 VanDerWaalsContact C-N 3.27Å; L64-A66 PolarHBondContact O-N 3.42Å; L64-F67 PolarHBondContact O-N 3.3Å; L64-L68 WeakPolarHBondContact O-CB 3.28Å; L64-L68 PolarHBondContact O-N 2.92Å; L64-V120 HydrophobicContact CB-CG1 4.39Å; L64-V120 VanDerWaalsContact O-CG1 3.27Å; L64-V120 WeakPolarHBondContact O-CG1 3.14Å; L64-T124 WeakPolarHBondContact CB-OG1 3.27Å; L64-D127 HydrophobicContact CD1-CB 4.02Å
65T95.1Very high94.5Very high2 Ų237.6 Ų37.61%0.01217%0.17CC..Hα-helixtrans-62.2-35.2172.4-51.90000111.9I50 A61 Y62 L63 L68 C69 F242 L293I50-T65 HydrophobicContact CD1-CG2 4.08Å; A61-T65 WeakPolarHBondContact O-CB 3.44Å; A61-T65 PolarHBondContact O-N 3.05Å; A61-T65 PolarHBondContact O-OG1 3.34Å; Y62-T65 CarbonylContact O-C 3.56Å; Y62-T65 WeakPolarHBondContact O-CB 3.46Å; Y62-T65 PolarHBondContact O-N 2.94Å; L63-T65 VanDerWaalsContact C-N 3.31Å; L63-T65 PolarHBondContact O-N 2.89Å; T65-L68 WeakPolarHBondContact O-CB 3.4Å; T65-L68 PolarHBondContact O-N 2.98Å; T65-C69 PolarHBondContact O-N 3.21Å; T65-C69 PolarHBondContact O-SG 2.95Å; T65-F242 HydrophobicContact CG2-CE1 4.5Å; T65-F242 VanDerWaalsContact OG1-CE1 3.26Å; T65-F242 WeakPolarHBondContact OG1-CE1 3.26Å; T65-F242 WeakPolarHBondContact OG1-CZ 3.34Å; T65-L293 HydrophobicContact CG2-CD1 3.89Å; T65-L293 HydrophobicContact CG2-CD2 4.24Å
66A96.7Very high94.7Very high4 Ų432.4 Ų32.43%0.03314%0.143CC..Hα-helixtrans-67-42.7174.600000111.1T47 I50 Y62 L63 L64 L68 C69 V70T47-A66 HydrophobicContact CG2-CB 4.47Å; I50-A66 HydrophobicContact CB-CB 4.2Å; I50-A66 HydrophobicContact CD1-CB 4.05Å; I50-A66 HydrophobicContact CG2-CB 3.95Å; Y62-A66 PolarHBondContact O-N 3.22Å; L63-A66 WeakPolarHBondContact O-CB 3.4Å; L63-A66 PolarHBondContact O-N 3.04Å; L63-A66 VanDerWaalsContact O-N 3.07Å; L64-A66 VanDerWaalsContact C-N 3.27Å; L64-A66 PolarHBondContact O-N 3.42Å; A66-L68 VanDerWaalsContact C-N 3.31Å; A66-L68 PolarHBondContact O-N 3.15Å; A66-C69 CarbonylContact O-C 3.57Å; A66-C69 WeakPolarHBondContact O-CB 3.27Å; A66-C69 PolarHBondContact O-N 3.03Å; A66-C69 VanDerWaalsContact O-N 3.14Å; A66-V70 WeakPolarHBondContact O-CG2 3.32Å; A66-V70 PolarHBondContact O-N 2.91Å
67F96.4Very high95Very high70 Ų7035 Ų3531%0.30716%0.156SC..Hα-helixtrans-63.2-36.9173.2-72.1-68.8000112.7L63 L64 C69 V70 G71 V120 I147 L151L63-F67 WeakPolarHBondContact O-CD2 3.42Å; L63-F67 PolarHBondContact O-N 2.96Å; L64-F67 PolarHBondContact O-N 3.3Å; F67-C69 VanDerWaalsContact C-N 3.32Å; F67-C69 PolarHBondContact O-N 3.27Å; F67-V70 WeakPolarHBondContact O-CB 3.5Å; F67-V70 PolarHBondContact O-N 2.93Å; F67-V70 VanDerWaalsContact O-N 3.14Å; F67-G71 PolarHBondContact O-N 3.14Å; F67-V120 HydrophobicContact CB-CG1 4.2Å; F67-V120 HydrophobicContact CB-CG2 4.1Å; F67-I147 HydrophobicContact CE2-CG2 4.22Å; F67-L151 HydrophobicContact CD1-CD2 3.77Å; F67-L151 HydrophobicContact CD2-CD1 4.43Å; F67-L151 HydrophobicContact CD2-CD2 3.82Å; F67-L151 HydrophobicContact CE1-CD1 3.85Å; F67-L151 HydrophobicContact CE1-CD2 3.81Å; F67-L151 HydrophobicContact CE1-CG 4.5Å; F67-L151 HydrophobicContact CE2-CD1 3.63Å; F67-L151 HydrophobicContact CE2-CD2 3.87Å; F67-L151 HydrophobicContact CE2-CG 4.24Å; F67-L151 HydrophobicContact CG-CD2 3.79Å; F67-L151 HydrophobicContact CZ-CD1 3.3Å; F67-L151 HydrophobicContact CZ-CD2 3.88Å; F67-L151 HydrophobicContact CZ-CG 4.19Å
68L96.2Very high95.3Very high5 Ų530 Ų303%0.02614%0.137CC..Hα-helixtrans-60.2-43.3171.7-178.367000111.1L64 T65 A66 V70 G71 Y72 I117 V120L64-L68 WeakPolarHBondContact O-CB 3.28Å; L64-L68 PolarHBondContact O-N 2.92Å; T65-L68 WeakPolarHBondContact O-CB 3.4Å; T65-L68 PolarHBondContact O-N 2.98Å; A66-L68 VanDerWaalsContact C-N 3.31Å; A66-L68 PolarHBondContact O-N 3.15Å; L68-V70 VanDerWaalsContact C-N 3.34Å; L68-G71 PolarHBondContact O-N 3.44Å; L68-Y72 HydrophobicContact CD1-CE2 3.89Å; L68-Y72 HydrophobicContact CD2-CE2 4.12Å; L68-Y72 HydrophobicContact CG-CD2 4.13Å; L68-Y72 HydrophobicContact CG-CE2 3.64Å; L68-Y72 VanDerWaalsContact O-CD2 3.22Å; L68-Y72 WeakPolarHBondContact O-CD2 3.39Å; L68-Y72 PolarHBondContact O-N 2.97Å; L68-I117 HydrophobicContact CD1-CB 4.26Å; L68-I117 HydrophobicContact CD1-CG1 4.33Å; L68-I117 HydrophobicContact CD1-CG2 3.88Å; L68-V120 HydrophobicContact CB-CG1 4.01Å
69C97.6Very high95.6Very high0 Ų022.1 Ų22.10%011%0.107CC..Hα-helixtrans-65.1-35.7173.8-63.50000112S43 T47 T65 A66 F67 G71 Y72 F73S43-C69 WeakPolarHBondContact CB-O 3.49Å; T47-C69 WeakPolarHBondContact OG1-CB 3.28Å; T65-C69 PolarHBondContact O-N 3.21Å; T65-C69 PolarHBondContact O-SG 2.95Å; A66-C69 CarbonylContact O-C 3.57Å; A66-C69 WeakPolarHBondContact O-CB 3.27Å; A66-C69 PolarHBondContact O-N 3.03Å; A66-C69 VanDerWaalsContact O-N 3.14Å; F67-C69 VanDerWaalsContact C-N 3.32Å; F67-C69 PolarHBondContact O-N 3.27Å; C69-G71 VanDerWaalsContact C-N 3.34Å; C69-Y72 PolarHBondContact O-N 3.09Å; C69-F73 WeakPolarHBondContact O-CB 3.22Å; C69-F73 PolarHBondContact O-N 3.26Å
70V97.6Very high95.9Very high48 Ų4819.3 Ų19.329%0.29110%0.096SC..Hα-helixtrans-63-41.1172.1171.90000111T47 A66 F67 L68 F73 I74T47-V70 HydrophobicContact CG2-CG2 3.87Å; A66-V70 WeakPolarHBondContact O-CG2 3.32Å; A66-V70 PolarHBondContact O-N 2.91Å; F67-V70 WeakPolarHBondContact O-CB 3.5Å; F67-V70 PolarHBondContact O-N 2.93Å; F67-V70 VanDerWaalsContact O-N 3.14Å; L68-V70 VanDerWaalsContact C-N 3.34Å; V70-F73 WeakPolarHBondContact O-CB 3.43Å; V70-F73 PolarHBondContact O-N 2.92Å; V70-I74 HydrophobicContact CG1-CD1 3.9Å; V70-I74 HydrophobicContact CG1-CG1 4.45Å; V70-I74 WeakPolarHBondContact O-CG1 3.31Å; V70-I74 PolarHBondContact O-N 3.4Å
71G97.4Very high96.1Very high0 Ų021.6 Ų21.60%011%0.108CC..Hα-helixtrans-57.7-48.5172.200000112.2F67 L68 C69 F73 I74 H75F67-G71 PolarHBondContact O-N 3.14Å; L68-G71 PolarHBondContact O-N 3.44Å; C69-G71 VanDerWaalsContact C-N 3.34Å; G71-F73 VanDerWaalsContact C-N 3.31Å; G71-F73 PolarHBondContact O-N 3.44Å; G71-I74 PolarHBondContact O-N 3.06Å; G71-H75 VanDerWaalsContact O-CB 3.3Å; G71-H75 WeakPolarHBondContact O-CB 3.48Å; G71-H75 PolarHBondContact O-N 3.22Å
72Y97.8Very high96.2Very high0 Ų022.7 Ų22.70%011%0.112CC..Hα-helixtrans-62.5-34.3174.9-71.4-55.3000113.6S43 L68 C69 G76 I117 N245 Y249 S289S43-Y72 WeakPolarHBondContact OG-CB 3.34Å; L68-Y72 HydrophobicContact CD1-CE2 3.89Å; L68-Y72 HydrophobicContact CD2-CE2 4.12Å; L68-Y72 HydrophobicContact CG-CD2 4.13Å; L68-Y72 HydrophobicContact CG-CE2 3.64Å; L68-Y72 VanDerWaalsContact O-CD2 3.22Å; L68-Y72 WeakPolarHBondContact O-CD2 3.39Å; L68-Y72 PolarHBondContact O-N 2.97Å; C69-Y72 PolarHBondContact O-N 3.09Å; Y72-G76 PolarHBondContact O-N 3.38Å; Y72-I117 HydrophobicContact CD1-CD1 3.31Å; Y72-I117 HydrophobicContact CD1-CG1 3.92Å; Y72-I117 HydrophobicContact CE1-CD1 3.48Å; Y72-I117 VanDerWaalsContact CE1-CD1 3.48Å; Y72-I117 HydrophobicContact CE1-CG1 3.93Å; Y72-I117 HydrophobicContact CE1-CG2 4.06Å; Y72-I117 HydrophobicContact CG-CD1 4.05Å; Y72-I117 HydrophobicContact CG-CG1 4.28Å; Y72-N245 PolarHBondContact OH-OD1 3.38Å; Y72-N245 VanDerWaalsContact OH-OD1 3.12Å; Y72-Y249 HydrophobicContact CE1-CD2 4.32Å; Y72-S289 VanDerWaalsContact CZ-CB 3.47Å; Y72-S289 WeakPolarHBondContact OH-CB 3.25Å; Y72-S289 PolarHBondContact OH-OG 3.44Å
73F98.1Very high96.1Very high80 Ų8022.3 Ų22.335%0.35111%0.11SC..Hα-helixtrans-63.8-52.1172.9170.3-99.5000111.3S40 C69 V70 G71 H75 G76 I77S40-F73 WeakPolarHBondContact O-CD2 3.44Å; C69-F73 WeakPolarHBondContact O-CB 3.22Å; C69-F73 PolarHBondContact O-N 3.26Å; V70-F73 WeakPolarHBondContact O-CB 3.43Å; V70-F73 PolarHBondContact O-N 2.92Å; G71-F73 VanDerWaalsContact C-N 3.31Å; G71-F73 PolarHBondContact O-N 3.44Å; F73-H75 VanDerWaalsContact C-N 3.31Å; F73-H75 PolarHBondContact O-N 3.04Å; F73-G76 PolarHBondContact O-N 2.99Å; F73-I77 HydrophobicContact CD2-CG1 4.46Å; F73-I77 HydrophobicContact CE1-CG1 4.16Å; F73-I77 HydrophobicContact CE2-CD1 4.18Å; F73-I77 HydrophobicContact CE2-CG1 4.04Å; F73-I77 HydrophobicContact CZ-CD1 4.19Å; F73-I77 HydrophobicContact CZ-CG1 3.87Å; F73-I77 WeakPolarHBondContact O-CG1 3.49Å; F73-I77 PolarHBondContact O-N 2.97Å
74I97.8Very high96.1Very high50 Ų5023.6 Ų23.626%0.25612%0.123SC..Hα-helixtrans-61.4-43.2179.9-66.9169.1000110.4V70 G71 I77 G78 C109 L112 I116V70-I74 HydrophobicContact CG1-CD1 3.9Å; V70-I74 HydrophobicContact CG1-CG1 4.45Å; V70-I74 WeakPolarHBondContact O-CG1 3.31Å; V70-I74 PolarHBondContact O-N 3.4Å; G71-I74 PolarHBondContact O-N 3.06Å; I74-I77 PolarHBondContact O-N 3.3Å; I74-G78 PolarHBondContact O-N 2.78Å; I74-C109 WeakPolarHBondContact CG2-O 3.39Å; I74-L112 HydrophobicContact CG2-CB 4.47Å; I74-I116 HydrophobicContact CD1-CD1 3.64Å
75H96.3Very high95.9Very high8 Ų826.9 Ų26.94%0.03714%0.141CC..Hα-helixtrans-61.4-45.1176-173.670000111.8G71 F73 I77 G78 I79 A110 I117G71-H75 VanDerWaalsContact O-CB 3.3Å; G71-H75 WeakPolarHBondContact O-CB 3.48Å; G71-H75 PolarHBondContact O-N 3.22Å; F73-H75 VanDerWaalsContact C-N 3.31Å; F73-H75 PolarHBondContact O-N 3.04Å; H75-I77 PolarHBondContact O-N 3.48Å; H75-G78 WeakPolarHBondContact O-CA 3.3Å; H75-G78 PolarHBondContact O-N 3.36Å; H75-G78 VanDerWaalsContact O-N 3.12Å; H75-I79 WeakPolarHBondContact O-CG1 3.48Å; H75-I79 PolarHBondContact O-N 3.01Å; H75-A110 PolarHBondContact ND1-O 2.81Å; H75-I117 HydrophobicContact CB-CD1 4.12Å
76G96.9Very high95.6Very high0 Ų027.5 Ų27.50%015%0.146CC..Hα-helixtrans-60.1-41.8175.500000113.1Y72 F73 G78 I79 I80Y72-G76 PolarHBondContact O-N 3.38Å; F73-G76 PolarHBondContact O-N 2.99Å; G76-G78 VanDerWaalsContact C-N 3.35Å; G76-I79 PolarHBondContact O-N 2.95Å; G76-I80 WeakPolarHBondContact O-CG1 3.42Å; G76-I80 PolarHBondContact O-N 3.42Å; G76-I80 VanDerWaalsContact O-N 3.12Å
77I97.7Very high95.2Very high57 Ų5729.1 Ų29.129%0.29215%0.153SC..Hα-helixtrans-62.6-42.8172.3-65.6-63.9000110.9S40 F73 I74 H75 I79 I80 I81S40-I77 PolarHBondContact OG-N 2.96Å; F73-I77 HydrophobicContact CD2-CG1 4.46Å; F73-I77 HydrophobicContact CE1-CG1 4.16Å; F73-I77 HydrophobicContact CE2-CD1 4.18Å; F73-I77 HydrophobicContact CE2-CG1 4.04Å; F73-I77 HydrophobicContact CZ-CD1 4.19Å; F73-I77 HydrophobicContact CZ-CG1 3.87Å; F73-I77 WeakPolarHBondContact O-CG1 3.49Å; F73-I77 PolarHBondContact O-N 2.97Å; I74-I77 PolarHBondContact O-N 3.3Å; H75-I77 PolarHBondContact O-N 3.48Å; I77-I79 PolarHBondContact O-N 3.35Å; I77-I80 HydrophobicContact CD1-CD1 4.25Å; I77-I80 WeakPolarHBondContact O-CB 3.24Å; I77-I80 PolarHBondContact O-N 3.06Å; I77-I81 HydrophobicContact CG2-CD1 3.77Å; I77-I81 HydrophobicContact CG2-CG1 4.35Å; I77-I81 WeakPolarHBondContact O-CG1 3.48Å; I77-I81 PolarHBondContact O-N 3.16Å
78G96.1Very high94.9Very high0 Ų029.8 Ų29.80%016%0.157CC..Hα-helixtrans-58.4-43.8175.100000113.2I74 H75 G76 I80 I81 R82I74-G78 PolarHBondContact O-N 2.78Å; H75-G78 WeakPolarHBondContact O-CA 3.3Å; H75-G78 PolarHBondContact O-N 3.36Å; H75-G78 VanDerWaalsContact O-N 3.12Å; G76-G78 VanDerWaalsContact C-N 3.35Å; G78-I80 VanDerWaalsContact C-N 3.33Å; G78-I80 PolarHBondContact O-N 3.49Å; G78-I81 PolarHBondContact O-N 3.21Å; G78-R82 WeakPolarHBondContact O-CB 3.48Å; G78-R82 PolarHBondContact O-N 3.17Å
79I94.8Very high94.3Very high4 Ų430.7 Ų30.72%0.02116%0.161CC..Hα-helixtrans-60.1-43.6175.2-68161.8000110.9D32 H75 G76 I77 A83 H283D32-I79 HydrophobicContact CB-CG2 3.77Å; H75-I79 WeakPolarHBondContact O-CG1 3.48Å; H75-I79 PolarHBondContact O-N 3.01Å; G76-I79 PolarHBondContact O-N 2.95Å; I77-I79 PolarHBondContact O-N 3.35Å; I79-A83 VanDerWaalsContact O-CB 3.24Å; I79-A83 WeakPolarHBondContact O-CB 3.1Å; I79-A83 PolarHBondContact O-N 3.26Å; I79-H283 HydrophobicContact CD1-CB 3.81Å
80I96.5Very high93.7Very high36 Ų3632.1 Ų32.119%0.18517%0.171CC..Hα-helixtrans-61.4-50.2177.6-64.4162.4000110.6I37 G76 I77 G78 R82 A83 A84I37-I80 HydrophobicContact CG1-CD1 3.78Å; I37-I80 HydrophobicContact CG1-CG1 4.29Å; G76-I80 WeakPolarHBondContact O-CG1 3.42Å; G76-I80 PolarHBondContact O-N 3.42Å; G76-I80 VanDerWaalsContact O-N 3.12Å; I77-I80 HydrophobicContact CD1-CD1 4.25Å; I77-I80 WeakPolarHBondContact O-CB 3.24Å; I77-I80 PolarHBondContact O-N 3.06Å; G78-I80 VanDerWaalsContact C-N 3.33Å; G78-I80 PolarHBondContact O-N 3.49Å; I80-R82 PolarHBondContact O-N 2.79Å; I80-A83 PolarHBondContact O-N 2.91Å; I80-A84 WeakPolarHBondContact O-CB 3.18Å; I80-A84 PolarHBondContact O-N 3.16Å
81I95.2Very high93.1Very high62 Ų6237.4 Ų37.432%0.31819%0.187SC..Hα-helixtrans-58.6-50.4-178.7-68.9168.9000109.8I77 G78 A83 A84 L85 C109I77-I81 HydrophobicContact CG2-CD1 3.77Å; I77-I81 HydrophobicContact CG2-CG1 4.35Å; I77-I81 WeakPolarHBondContact O-CG1 3.48Å; I77-I81 PolarHBondContact O-N 3.16Å; G78-I81 PolarHBondContact O-N 3.21Å; I81-A83 PolarHBondContact O-N 3.43Å; I81-A84 PolarHBondContact O-N 3.49Å; I81-L85 HydrophobicContact CG2-CD1 3.7Å; I81-L85 HydrophobicContact CG2-CG 4.45Å; I81-L85 WeakPolarHBondContact O-CB 3.43Å; I81-L85 VanDerWaalsContact O-CG 3.31Å; I81-L85 WeakPolarHBondContact O-CG 3.4Å; I81-L85 PolarHBondContact O-N 3.43Å; I81-C109 HydrophobicContact CD1-CB 4.47Å
82R92.9Very high92.5Very high25 Ų2545.3 Ų45.39%0.09422%0.218CC..Hα-helixtrans-56.9-51.5177.9-175.2-1586880.11.4111.7D32 G78 I80 A84 L85 A86 W107D32-R82 IonicContact OD2-CZ 2.81Å; D32-R82 IonicContact OD2-NH2 3.2Å; D32-R82 PolarHBondContact OD2-NH2 3.19Å; G78-R82 WeakPolarHBondContact O-CB 3.48Å; G78-R82 PolarHBondContact O-N 3.17Å; I80-R82 PolarHBondContact O-N 2.79Å; R82-A84 PolarHBondContact O-N 3.35Å; R82-L85 PolarHBondContact O-N 3.48Å; R82-A86 WeakPolarHBondContact O-CB 3.4Å; R82-A86 PolarHBondContact O-N 2.89Å; R82-W107 VanDerWaalsContact CD-CH2 3.44Å; R82-W107 HydrophobicContact CG-CZ2 4.31Å
83A92.8Very high91.6Very high0 Ų048.7 Ų48.70%023%0.234CC..Hα-helixtrans-66.4-38.5-17700000112.3N29 D32 I33 I79 I80 I81 M87N29-A83 HydrophobicContact CB-CB 4.15Å; D32-A83 HydrophobicContact CB-CB 4.07Å; I33-A83 HydrophobicContact CD1-CB 4.25Å; I33-A83 HydrophobicContact CG1-CB 3.67Å; I79-A83 VanDerWaalsContact O-CB 3.24Å; I79-A83 WeakPolarHBondContact O-CB 3.1Å; I79-A83 PolarHBondContact O-N 3.26Å; I80-A83 PolarHBondContact O-N 2.91Å; I81-A83 PolarHBondContact O-N 3.43Å; A83-M87 WeakPolarHBondContact O-CG 3.46Å; A83-M87 PolarHBondContact O-N 3.1Å
84A93.5Very high90.6Very high44 Ų4447 Ų4736%0.36423%0.228SC..Hα-helixtrans-65.3-43.617600000111.9I80 I81 R82 M87 H88I80-A84 WeakPolarHBondContact O-CB 3.18Å; I80-A84 PolarHBondContact O-N 3.16Å; I81-A84 PolarHBondContact O-N 3.49Å; R82-A84 PolarHBondContact O-N 3.35Å; A84-M87 PolarHBondContact O-N 2.88Å; A84-H88 WeakPolarHBondContact O-CB 3.34Å; A84-H88 PolarHBondContact O-N 3.29Å
85L90.8Very high89.4Confident70 Ų7048.5 Ų48.537%0.36624%0.236SC..Hα-helixtrans-69.1-38.6177.5-69.3173.6000112I81 R82 M87 H88 Q89 Q106I81-L85 HydrophobicContact CG2-CD1 3.7Å; I81-L85 HydrophobicContact CG2-CG 4.45Å; I81-L85 WeakPolarHBondContact O-CB 3.43Å; I81-L85 VanDerWaalsContact O-CG 3.31Å; I81-L85 WeakPolarHBondContact O-CG 3.4Å; I81-L85 PolarHBondContact O-N 3.43Å; R82-L85 PolarHBondContact O-N 3.48Å; L85-M87 VanDerWaalsContact C-N 3.33Å; L85-M87 PolarHBondContact O-N 3.23Å; L85-H88 PolarHBondContact O-N 2.94Å; L85-Q89 WeakPolarHBondContact O-CB 3.26Å; L85-Q89 PolarHBondContact O-N 2.96Å; L85-Q106 HydrophobicContact CB-CG 4.37Å; L85-Q106 HydrophobicContact CD1-CG 3.67Å
86A88.3Confident88.5Confident14 Ų1454.3 Ų54.312%0.11626%0.261CS..Hα-helixtrans-61.8-40.3172.800000112.1R82 S90R82-A86 WeakPolarHBondContact O-CB 3.4Å; R82-A86 PolarHBondContact O-N 2.89Å; A86-S90 PolarHBondContact O-N 3.2Å; A86-S90 VanDerWaalsContact O-N 3.07Å
87M89.6Confident87.7Confident39 Ų3955.2 Ų55.219%0.19227%0.267CS..Hα-helixtrans-65.4-45.2172.8-75.1-178.461.200111.6N29 R30 I33 A83 A84 L85 Q89 S90 Y91N29-M87 HydrophobicContact CB-CG 3.88Å; N29-M87 HydrophobicContact CB-SD 4.22Å; R30-M87 HydrophobicContact CG-CE 3.97Å; R30-M87 HydrophobicContact CG-SD 3.89Å; I33-M87 HydrophobicContact CD1-SD 3.67Å; A83-M87 WeakPolarHBondContact O-CG 3.46Å; A83-M87 PolarHBondContact O-N 3.1Å; A84-M87 PolarHBondContact O-N 2.88Å; L85-M87 VanDerWaalsContact C-N 3.33Å; L85-M87 PolarHBondContact O-N 3.23Å; M87-Q89 VanDerWaalsContact C-N 3.33Å; M87-Q89 PolarHBondContact O-N 3.09Å; M87-S90 WeakPolarHBondContact O-CB 3.39Å; M87-S90 PolarHBondContact O-N 3.43Å; M87-Y91 HydrophobicContact CE-CE2 4.32Å; M87-Y91 WeakPolarHBondContact O-CD2 3.45Å; M87-Y91 PolarHBondContact O-N 2.64Å; M87-Y91 VanDerWaalsContact O-N 3.15Å
88H88.8Confident87.1Confident84 Ų8453.8 Ų53.839%0.38926%0.259SS..Hα-helixtrans-58.9-44.9177.7-174.372.6000111.7A84 L85 S90 Y91 Y92A84-H88 WeakPolarHBondContact O-CB 3.34Å; A84-H88 PolarHBondContact O-N 3.29Å; L85-H88 PolarHBondContact O-N 2.94Å; H88-S90 VanDerWaalsContact C-N 3.33Å; H88-S90 PolarHBondContact O-N 3.44Å; H88-Y91 PolarHBondContact O-N 3.39Å; H88-Y91 VanDerWaalsContact O-N 3.14Å; H88-Y92 AromaticContact CE1-CD2 3.3Å; H88-Y92 WeakPolarHBondContact CE1-CD2 3.46Å; H88-Y92 AromaticContact CE1-CE2 3.77Å; H88-Y92 AromaticContact CE1-CG 3.99Å; H88-Y92 AromaticContact ND1-CD2 3.3Å; H88-Y92 VanDerWaalsContact ND1-CD2 3.3Å; H88-Y92 WeakPolarHBondContact ND1-CD2 3.42Å; H88-Y92 AromaticContact ND1-CE2 3.62Å; H88-Y92 PolarHBondContact O-N 3.21Å
89Q84.3Confident86.7Confident24 Ų2455.1 Ų55.111%0.11227%0.268CS..Hα-helixtrans-57.3-46.8174.4-169.274.1600111.2L85 M87 Y91 H93 I94 K96L85-Q89 WeakPolarHBondContact O-CB 3.26Å; L85-Q89 PolarHBondContact O-N 2.96Å; M87-Q89 VanDerWaalsContact C-N 3.33Å; M87-Q89 PolarHBondContact O-N 3.09Å; Q89-Y91 PolarHBondContact O-N 3.17Å; Q89-H93 HydrophobicContact CG-CB 4.43Å; Q89-H93 PolarHBondContact NE2-O 3.48Å; Q89-H93 CarbonylContact O-C 3.18Å; Q89-H93 WeakPolarHBondContact O-CA 3.5Å; Q89-H93 PolarHBondContact O-N 3.47Å; Q89-I94 PolarHBondContact O-N 3.35Å; Q89-K96 PolarHBondContact NE2-O 3.38Å
90S85Confident86.4Confident30 Ų3055.8 Ų55.821%0.2127%0.271CS..Hα-helixtrans-61.9-25.2179-176.60000113.9A86 M87 H88A86-S90 PolarHBondContact O-N 3.2Å; A86-S90 VanDerWaalsContact O-N 3.07Å; M87-S90 WeakPolarHBondContact O-CB 3.39Å; M87-S90 PolarHBondContact O-N 3.43Å; H88-S90 VanDerWaalsContact C-N 3.33Å; H88-S90 PolarHBondContact O-N 3.44Å
91Y85Confident86Confident158 Ų15856.1 Ų56.162%0.6227%0.273SS*.Hα-helixtrans-93.8-39.7-179.5-78.4-67.1000113.6M87 H88 Q89M87-Y91 HydrophobicContact CE-CE2 4.32Å; M87-Y91 WeakPolarHBondContact O-CD2 3.45Å; M87-Y91 PolarHBondContact O-N 2.64Å; M87-Y91 VanDerWaalsContact O-N 3.15Å; H88-Y91 PolarHBondContact O-N 3.39Å; H88-Y91 VanDerWaalsContact O-N 3.14Å; Q89-Y91 PolarHBondContact O-N 3.17Å
92Y83.6Confident85.8Confident167 Ų16757 Ų5766%0.65528%0.278SS*.Hα-helixtrans-114.9-21.8-168.5-63.7-77.4000114.6H88H88-Y92 AromaticContact CE1-CD2 3.3Å; H88-Y92 WeakPolarHBondContact CE1-CD2 3.46Å; H88-Y92 AromaticContact CE1-CE2 3.77Å; H88-Y92 AromaticContact CE1-CG 3.99Å; H88-Y92 AromaticContact ND1-CD2 3.3Å; H88-Y92 VanDerWaalsContact ND1-CD2 3.3Å; H88-Y92 WeakPolarHBondContact ND1-CD2 3.42Å; H88-Y92 AromaticContact ND1-CE2 3.62Å; H88-Y92 PolarHBondContact O-N 3.21Å
93H80.7Confident85.6Confident71 Ų7155.8 Ų55.833%0.32927%0.273SS..  trans-135.730.5-169.7-64-38.2000112.3Q89 D95 K96Q89-H93 HydrophobicContact CG-CB 4.43Å; Q89-H93 PolarHBondContact NE2-O 3.48Å; Q89-H93 CarbonylContact O-C 3.18Å; Q89-H93 WeakPolarHBondContact O-CA 3.5Å; Q89-H93 PolarHBondContact O-N 3.47Å; H93-D95 PolarHBondContact O-N 3.22Å; H93-D95 VanDerWaalsContact O-N 3.09Å; H93-K96 HydrophobicContact CB-CB 4.47Å; H93-K96 PolarHBondContact O-N 3.48Å
94I75.4Confident85.5Confident45 Ų4556.4 Ų56.423%0.23128%0.276CS..THydrogen-bonded Turntrans-60.7-25.4-175.6-158.2169.3000112.9V19 L22 Q89V19-I94 HydrophobicContact CB-CD1 4.04Å; V19-I94 HydrophobicContact CB-CG1 4.45Å; V19-I94 HydrophobicContact CG1-CD1 3.82Å; V19-I94 HydrophobicContact CG2-CD1 3.62Å; V19-I94 HydrophobicContact CG2-CG1 3.68Å; L22-I94 HydrophobicContact CD1-CG1 4.28Å; Q89-I94 PolarHBondContact O-N 3.35Å
95D72.5Confident85.4Confident80 Ų8061.1 Ų61.143%0.42829%0.285SS..THydrogen-bonded Turntrans-94.71.5-178.4-59.7-29.8000113.7R15 H93R15-D95 IonicContact CZ-OD1 3.11Å; R15-D95 IonicContact CZ-OD2 3.89Å; R15-D95 IonicContact NE-OD1 2.71Å; R15-D95 PolarHBondContact NE-OD1 3.46Å; R15-D95 IonicContact NH2-OD1 2.75Å; R15-D95 PolarHBondContact NH2-OD1 2.86Å; R15-D95 IonicContact NH2-OD2 3Å; R15-D95 PolarHBondContact NH2-OD2 3.2Å; H93-D95 PolarHBondContact O-N 3.22Å; H93-D95 VanDerWaalsContact O-N 3.09Å
96K79Confident85.4Confident130 Ų13058.5 Ų58.557%0.56527%0.271SS*.SBendtrans-112.3123.2-178.1-65.5-172.8178.9-175.40110.3Q89 H93Q89-K96 PolarHBondContact NE2-O 3.38Å; H93-K96 HydrophobicContact CB-CB 4.47Å; H93-K96 PolarHBondContact O-N 3.48Å
97P79.7Confident85.6Confident20 Ų2059.3 Ų59.313%0.1327%0.271CS..PPolyproline II helixtrans-65.2156.2169.427-30.8000110.2I5 C8 F10 C173I5-P97 HydrophobicContact CD1-CB 4.01Å; I5-P97 HydrophobicContact CG2-CB 4.36Å; I5-P97 HydrophobicContact CG2-CG 4.05Å; C8-P97 HydrophobicContact CB-CG 4Å; C8-P97 WeakPolarHBondContact O-CD 3.26Å; C8-P97 WeakPolarHBondContact O-CG 3.4Å; F10-P97 HydrophobicContact CE1-CB 3.94Å; F10-P97 HydrophobicContact CE2-CB 4.11Å; F10-P97 HydrophobicContact CE2-CG 4.48Å; F10-P97 HydrophobicContact CZ-CB 3.65Å; F10-P97 HydrophobicContact CZ-CG 4.43Å; P97-C173 HydrophobicContact CB-CB 4.27Å; P97-C173 HydrophobicContact CG-CB 4.31Å
98Q84.7Confident85.7Confident26 Ų2659.3 Ų59.312%0.12127%0.272CS..EExtended strand (participates in β ladder)trans-98.6157.3175.3-68-176.3-41.500109.1C173 I174Q98-C173 WeakPolarHBondContact O-CA 3.4Å; Q98-I174 PolarHBondContact N-O 3.3Å; Q98-I174 WeakPolarHBondContact O-CG1 3.32Å; Q98-I174 PolarHBondContact O-N 2.94Å
99T87.8Confident86Confident29 Ų2957.2 Ų57.218%0.17827%0.266CS..EExtended strand (participates in β ladder)trans-84.6157.7169.966.40000110.9L101 D102 C103 E172T99-L101 PolarHBondContact O-N 3.37Å; T99-D102 PolarHBondContact N-OD2 2.95Å; T99-D102 PolarHBondContact O-N 3.49Å; T99-D102 PolarHBondContact OG1-N 2.84Å; T99-D102 PolarHBondContact OG1-OD2 3.33Å; T99-C103 PolarHBondContact O-N 3.01Å; T99-C103 VanDerWaalsContact O-N 3.08Å; T99-E172 CarbonylContact C-O 3.6Å; T99-E172 WeakPolarHBondContact CA-O 3.41Å
100Q88.3Confident86.4Confident17 Ų1756.2 Ų56.28%0.07926%0.262CS..Hα-helixtrans-55.6-41.3171.1-65.2177.8-600111C103 F104 S170 E172 I174 T181Q100-C103 WeakPolarHBondContact O-CB 3.21Å; Q100-C103 PolarHBondContact O-N 3.45Å; Q100-F104 PolarHBondContact O-N 3.34Å; Q100-S170 WeakPolarHBondContact CB-O 3.5Å; Q100-S170 PolarHBondContact OE1-OG 2.91Å; Q100-E172 HydrophobicContact CG-CB 4.33Å; Q100-E172 PolarHBondContact N-O 2.82Å; Q100-E172 PolarHBondContact NE2-OE2 3.37Å; Q100-I174 HydrophobicContact CG-CG2 3.56Å; Q100-T181 WeakPolarHBondContact CG-O 3.5Å
101L89.3Confident86.7Confident44 Ų4455.9 Ų55.923%0.2326%0.259CS..Hα-helixtrans-59.7-46.1176.5-176.165000112.9T99 C103 F104 Y105 S170T99-L101 PolarHBondContact O-N 3.37Å; L101-C103 VanDerWaalsContact C-N 3.26Å; L101-C103 PolarHBondContact O-N 3.47Å; L101-F104 HydrophobicContact CD1-CD1 4.49Å; L101-F104 WeakPolarHBondContact O-CB 3.46Å; L101-F104 PolarHBondContact O-N 2.96Å; L101-Y105 HydrophobicContact CD1-CD2 4.27Å; L101-Y105 HydrophobicContact CD1-CE2 3.61Å; L101-Y105 HydrophobicContact CD2-CE2 4.2Å; L101-Y105 HydrophobicContact CG-CD2 4.1Å; L101-Y105 HydrophobicContact CG-CE2 3.63Å; L101-Y105 WeakPolarHBondContact O-CD2 3.33Å; L101-Y105 PolarHBondContact O-N 2.89Å; L101-Y105 VanDerWaalsContact O-N 3.08Å; L101-S170 PolarHBondContact N-O 3.27Å; L101-S170 VanDerWaalsContact N-O 3.1Å
102D89.2Confident87.1Confident79 Ų7950.3 Ų50.342%0.42224%0.239SC..Hα-helixtrans-60-41.7175.6-65.5-43.3000110.8T99 Y105 Q106T99-D102 PolarHBondContact N-OD2 2.95Å; T99-D102 PolarHBondContact O-N 3.49Å; T99-D102 PolarHBondContact OG1-N 2.84Å; T99-D102 PolarHBondContact OG1-OD2 3.33Å; D102-Y105 PolarHBondContact O-N 3.42Å; D102-Q106 WeakPolarHBondContact O-CG 3.45Å; D102-Q106 PolarHBondContact O-N 3.19Å; D102-Q106 VanDerWaalsContact O-N 3.14Å
103C90.3Very high87.7Confident0 Ų042.3 Ų42.30%021%0.208CC..Hα-helixtrans-66.7-39.3178.3-173.50000112.5T99 Q100 L101 Y105 Q106 W107 I174 C177 A182T99-C103 PolarHBondContact O-N 3.01Å; T99-C103 VanDerWaalsContact O-N 3.08Å; Q100-C103 WeakPolarHBondContact O-CB 3.21Å; Q100-C103 PolarHBondContact O-N 3.45Å; L101-C103 VanDerWaalsContact C-N 3.26Å; L101-C103 PolarHBondContact O-N 3.47Å; C103-Y105 VanDerWaalsContact C-N 3.34Å; C103-Y105 PolarHBondContact O-N 2.92Å; C103-Q106 WeakPolarHBondContact O-CB 3.24Å; C103-Q106 PolarHBondContact O-N 3.1Å; C103-Q106 VanDerWaalsContact O-N 3.12Å; C103-W107 PolarHBondContact O-N 3.33Å; C103-I174 HydrophobicContact CB-CD1 3.68Å; C103-C177 WeakPolarHBondContact CA-SG 3.23Å; C103-C177 HydrophobicContact CB-CB 3.69Å; C103-C177 WeakPolarHBondContact CB-SG 3.47Å; C103-C177 WeakPolarHBondContact SG-CA 3.42Å; C103-C177 WeakPolarHBondContact SG-CB 3.17Å; C103-C177 CovalentContact SG-SG 2.04Å; C103-C177 PolarHBondContact SG-SG 3.1Å; C103-A182 HydrophobicContact CB-CB 4.28Å
104F90.8Very high88.3Confident13 Ų1339.6 Ų39.66%0.05720%0.198CC..Hα-helixtrans-57.1-46.9172.9168.1-106.5000111.7Q100 L101 Q106 W107 I108 T162 H165 A166 T169Q100-F104 PolarHBondContact O-N 3.34Å; L101-F104 HydrophobicContact CD1-CD1 4.49Å; L101-F104 WeakPolarHBondContact O-CB 3.46Å; L101-F104 PolarHBondContact O-N 2.96Å; F104-Q106 VanDerWaalsContact C-N 3.25Å; F104-Q106 PolarHBondContact O-N 2.97Å; F104-W107 PolarHBondContact O-N 2.96Å; F104-W107 VanDerWaalsContact O-N 3.1Å; F104-I108 HydrophobicContact CE1-CD1 3.93Å; F104-I108 HydrophobicContact CE2-CD1 4.39Å; F104-I108 HydrophobicContact CE2-CG1 4.31Å; F104-I108 HydrophobicContact CZ-CB 4.49Å; F104-I108 HydrophobicContact CZ-CD1 3.62Å; F104-I108 HydrophobicContact CZ-CG1 4.03Å; F104-I108 WeakPolarHBondContact O-CB 3.47Å; F104-I108 PolarHBondContact O-N 3.06Å; F104-T162 HydrophobicContact CZ-CG2 4.45Å; F104-H165 HydrophobicContact CD2-CB 4.24Å; F104-H165 HydrophobicContact CE2-CB 3.54Å; F104-H165 HydrophobicContact CZ-CB 4.23Å; F104-A166 HydrophobicContact CE1-CB 4.07Å; F104-A166 HydrophobicContact CZ-CB 4.04Å; F104-T169 HydrophobicContact CB-CG2 3.58Å; F104-T169 HydrophobicContact CD1-CG2 4.19Å; F104-T169 HydrophobicContact CD2-CG2 3.98Å; F104-T169 HydrophobicContact CG-CG2 3.64Å
105Y90.8Very high89.1Confident144 Ų14437.5 Ų37.557%0.56519%0.187SC*.Hα-helixtrans-63.7-29176.5-72.2-57.4000113.5L101 D102 C103 I108L101-Y105 HydrophobicContact CD1-CD2 4.27Å; L101-Y105 HydrophobicContact CD1-CE2 3.61Å; L101-Y105 HydrophobicContact CD2-CE2 4.2Å; L101-Y105 HydrophobicContact CG-CD2 4.1Å; L101-Y105 HydrophobicContact CG-CE2 3.63Å; L101-Y105 WeakPolarHBondContact O-CD2 3.33Å; L101-Y105 PolarHBondContact O-N 2.89Å; L101-Y105 VanDerWaalsContact O-N 3.08Å; D102-Y105 PolarHBondContact O-N 3.42Å; C103-Y105 VanDerWaalsContact C-N 3.34Å; C103-Y105 PolarHBondContact O-N 2.92Å; Y105-I108 WeakPolarHBondContact O-CG2 3.22Å
106Q91.4Very high90.3Very high15 Ų1535 Ų357%0.0717%0.173CC..Hα-helixtrans-69.9-36173.6-67.217739.100112.3L85 D102 C103 F104L85-Q106 HydrophobicContact CB-CG 4.37Å; L85-Q106 HydrophobicContact CD1-CG 3.67Å; D102-Q106 WeakPolarHBondContact O-CG 3.45Å; D102-Q106 PolarHBondContact O-N 3.19Å; D102-Q106 VanDerWaalsContact O-N 3.14Å; C103-Q106 WeakPolarHBondContact O-CB 3.24Å; C103-Q106 PolarHBondContact O-N 3.1Å; C103-Q106 VanDerWaalsContact O-N 3.12Å; F104-Q106 VanDerWaalsContact C-N 3.25Å; F104-Q106 PolarHBondContact O-N 2.97Å
107W91.1Very high91.1Very high30 Ų3028.8 Ų28.811%0.11415%0.146CC..Hα-helixtrans-90.9-21-175.9-81.797.9000114.2R82 C103 F104 C109 A110 V111 C177 L179R82-W107 VanDerWaalsContact CD-CH2 3.44Å; R82-W107 HydrophobicContact CG-CZ2 4.31Å; C103-W107 PolarHBondContact O-N 3.33Å; F104-W107 PolarHBondContact O-N 2.96Å; F104-W107 VanDerWaalsContact O-N 3.1Å; W107-C109 VanDerWaalsContact C-N 3.32Å; W107-C109 PolarHBondContact O-N 3.4Å; W107-C109 VanDerWaalsContact O-N 3.17Å; W107-A110 HydrophobicContact CE3-CB 4.07Å; W107-A110 HydrophobicContact CZ3-CB 4.45Å; W107-A110 WeakPolarHBondContact O-CB 3.32Å; W107-A110 PolarHBondContact O-N 2.97Å; W107-V111 HydrophobicContact CB-CG2 4.24Å; W107-V111 WeakPolarHBondContact O-CG2 3.33Å; W107-V111 PolarHBondContact O-N 3.04Å; W107-C177 VanDerWaalsContact CD1-SG 3.55Å; W107-L179 HydrophobicContact CB-CD1 4.35Å; W107-L179 HydrophobicContact CD2-CB 4.23Å; W107-L179 HydrophobicContact CD2-CD1 4.18Å; W107-L179 HydrophobicContact CE3-CB 4.36Å; W107-L179 HydrophobicContact CE3-CD1 4.14Å; W107-L179 HydrophobicContact CG-CD1 4.29Å; W107-L179 HydrophobicContact CH2-CB 4.37Å; W107-L179 HydrophobicContact CZ2-CB 4.23Å; W107-L179 HydrophobicContact CZ3-CB 4.43Å
108I92.4Very high91.8Very high39 Ų3928 Ų2820%0.214%0.141CC..Hα-helixtrans-52.6-45.7-170.5-163.4174.3000112.7F104 Y105 A110 V111 L112 T162F104-I108 HydrophobicContact CE1-CD1 3.93Å; F104-I108 HydrophobicContact CE2-CD1 4.39Å; F104-I108 HydrophobicContact CE2-CG1 4.31Å; F104-I108 HydrophobicContact CZ-CB 4.49Å; F104-I108 HydrophobicContact CZ-CD1 3.62Å; F104-I108 HydrophobicContact CZ-CG1 4.03Å; F104-I108 WeakPolarHBondContact O-CB 3.47Å; F104-I108 PolarHBondContact O-N 3.06Å; Y105-I108 WeakPolarHBondContact O-CG2 3.22Å; I108-A110 PolarHBondContact O-N 3.45Å; I108-V111 PolarHBondContact O-N 3.06Å; I108-L112 HydrophobicContact CG1-CD1 3.96Å; I108-L112 HydrophobicContact CG1-CG 4.2Å; I108-L112 VanDerWaalsContact O-CB 3.27Å; I108-L112 WeakPolarHBondContact O-CB 3.49Å; I108-L112 WeakPolarHBondContact O-CG 3.21Å; I108-L112 PolarHBondContact O-N 2.95Å; I108-T162 HydrophobicContact CD1-CG2 4.05Å
109C93.9Very high92.3Very high41 Ų4127.4 Ų27.428%0.27714%0.139SC..Hα-helixtrans-64.4-39.7178.5-69.70000112.7I74 I81 W107 G113I74-C109 WeakPolarHBondContact CG2-O 3.39Å; I81-C109 HydrophobicContact CD1-CB 4.47Å; W107-C109 VanDerWaalsContact C-N 3.32Å; W107-C109 PolarHBondContact O-N 3.4Å; W107-C109 VanDerWaalsContact O-N 3.17Å; C109-G113 PolarHBondContact O-N 3.28Å
110A92.7Very high92.7Very high3 Ų326.1 Ų26.13%0.02513%0.131CC..Hα-helixtrans-68.4-43.1179.200000111H75 W107 I108 G113 A114H75-A110 PolarHBondContact ND1-O 2.81Å; W107-A110 HydrophobicContact CE3-CB 4.07Å; W107-A110 HydrophobicContact CZ3-CB 4.45Å; W107-A110 WeakPolarHBondContact O-CB 3.32Å; W107-A110 PolarHBondContact O-N 2.97Å; I108-A110 PolarHBondContact O-N 3.45Å; A110-G113 PolarHBondContact O-N 2.96Å; A110-A114 PolarHBondContact O-N 2.84Å
111V91.2Very high93.1Very high22 Ų2225.6 Ų25.613%0.13313%0.129CC..Hα-helixtrans-64.2-49.9177.7174.60000110.7W107 I108 G113 A114 E115 L179W107-V111 HydrophobicContact CB-CG2 4.24Å; W107-V111 WeakPolarHBondContact O-CG2 3.33Å; W107-V111 PolarHBondContact O-N 3.04Å; I108-V111 PolarHBondContact O-N 3.06Å; V111-G113 VanDerWaalsContact C-N 3.28Å; V111-G113 PolarHBondContact O-N 3.34Å; V111-A114 WeakPolarHBondContact O-CA 3.41Å; V111-A114 WeakPolarHBondContact O-CB 3.39Å; V111-A114 PolarHBondContact O-N 2.95Å; V111-E115 HydrophobicContact CG1-CG 4.4Å; V111-E115 WeakPolarHBondContact O-CG 3.4Å; V111-E115 PolarHBondContact O-N 3.31Å; V111-L179 HydrophobicContact CG2-CD1 3.58Å
112L94.1Very high93.5Very high41 Ų4126.9 Ų26.922%0.21513%0.133CC..Hα-helixtrans-55.2-44.6175.9-74.1174.3000111.9I74 I108 A114 E115 I116 I158 T162I74-L112 HydrophobicContact CG2-CB 4.47Å; I108-L112 HydrophobicContact CG1-CD1 3.96Å; I108-L112 HydrophobicContact CG1-CG 4.2Å; I108-L112 VanDerWaalsContact O-CB 3.27Å; I108-L112 WeakPolarHBondContact O-CB 3.49Å; I108-L112 WeakPolarHBondContact O-CG 3.21Å; I108-L112 PolarHBondContact O-N 2.95Å; L112-A114 PolarHBondContact O-N 3.41Å; L112-E115 PolarHBondContact O-N 3.01Å; L112-I116 VanDerWaalsContact O-CG1 3.24Å; L112-I116 WeakPolarHBondContact O-CG1 3.27Å; L112-I116 PolarHBondContact O-N 3.49Å; L112-I158 HydrophobicContact CD2-CG2 3.3Å; L112-T162 WeakPolarHBondContact CD2-OG1 3.36Å
113G95.7Very high93.8Very high0 Ų024 Ų240%012%0.117CC..Hα-helixtrans-61.4-43.1176.100000112.6C109 A110 V111 I116 I117C109-G113 PolarHBondContact O-N 3.28Å; A110-G113 PolarHBondContact O-N 2.96Å; V111-G113 VanDerWaalsContact C-N 3.28Å; V111-G113 PolarHBondContact O-N 3.34Å; G113-I116 PolarHBondContact O-N 3.3Å; G113-I117 VanDerWaalsContact O-CD1 3.3Å; G113-I117 WeakPolarHBondContact O-CD1 3.43Å; G113-I117 VanDerWaalsContact O-CG1 3.23Å; G113-I117 WeakPolarHBondContact O-CG1 3.17Å; G113-I117 PolarHBondContact O-N 2.7Å; G113-I117 VanDerWaalsContact O-N 3.09Å
114A93.2Very high94Very high14 Ų1424.2 Ų24.212%0.11612%0.119CC..Hα-helixtrans-64.2-43.3177.100000112.3A110 V111 L112 I116 I117 I118A110-A114 PolarHBondContact O-N 2.84Å; V111-A114 WeakPolarHBondContact O-CA 3.41Å; V111-A114 WeakPolarHBondContact O-CB 3.39Å; V111-A114 PolarHBondContact O-N 2.95Å; L112-A114 PolarHBondContact O-N 3.41Å; A114-I116 PolarHBondContact O-N 3.28Å; A114-I117 WeakPolarHBondContact O-CB 3.36Å; A114-I117 PolarHBondContact O-N 3.04Å; A114-I117 VanDerWaalsContact O-N 3.14Å; A114-I118 WeakPolarHBondContact O-CG1 3.47Å; A114-I118 PolarHBondContact O-N 2.92Å
115E93.7Very high94.3Very high1 Ų123.6 Ų23.61%0.00512%0.116CC..Hα-helixtrans-60.1-46.3175.7-71.8-174.3175.900111.7V111 L112 I117 I118 D119 I158 A161 H165 F195V111-E115 HydrophobicContact CG1-CG 4.4Å; V111-E115 WeakPolarHBondContact O-CG 3.4Å; V111-E115 PolarHBondContact O-N 3.31Å; L112-E115 PolarHBondContact O-N 3.01Å; E115-I117 VanDerWaalsContact C-N 3.26Å; E115-I117 PolarHBondContact O-N 3.18Å; E115-I118 PolarHBondContact O-N 3.44Å; E115-D119 WeakPolarHBondContact O-CB 3.25Å; E115-D119 PolarHBondContact O-N 3.21Å; E115-I158 HydrophobicContact CB-CG1 4.15Å; E115-A161 WeakPolarHBondContact OE1-CB 3.45Å; E115-H165 IonicContact OE1-NE2 2.92Å; E115-F195 HydrophobicContact CG-CE1 3.8Å; E115-F195 HydrophobicContact CG-CZ 3.68Å
116I96.1Very high94.4Very high27 Ų2717.9 Ų17.914%0.13810%0.099CC..Hα-helixtrans-56.9-43.1174.7-66.4165.3000110.6I74 L112 G113 A114 V120 I158I74-I116 HydrophobicContact CD1-CD1 3.64Å; L112-I116 VanDerWaalsContact O-CG1 3.24Å; L112-I116 WeakPolarHBondContact O-CG1 3.27Å; L112-I116 PolarHBondContact O-N 3.49Å; G113-I116 PolarHBondContact O-N 3.3Å; A114-I116 PolarHBondContact O-N 3.28Å; I116-V120 HydrophobicContact CG2-CG2 3.96Å; I116-V120 WeakPolarHBondContact O-CB 3.47Å; I116-V120 WeakPolarHBondContact O-CG2 3.17Å; I116-V120 PolarHBondContact O-N 2.98Å; I116-I158 HydrophobicContact CB-CD1 4.48Å; I116-I158 HydrophobicContact CD1-CD1 4.26Å; I116-I158 HydrophobicContact CG1-CD1 3.35Å
117I96Very high94.6Very high0 Ų017.2 Ų17.20%010%0.095CC..Hα-helixtrans-62-47.3-179.8-69.7156.8000110.8L68 Y72 H75 G113 A114 E115 S121 Y249L68-I117 HydrophobicContact CD1-CB 4.26Å; L68-I117 HydrophobicContact CD1-CG1 4.33Å; L68-I117 HydrophobicContact CD1-CG2 3.88Å; Y72-I117 HydrophobicContact CD1-CD1 3.31Å; Y72-I117 HydrophobicContact CD1-CG1 3.92Å; Y72-I117 HydrophobicContact CE1-CD1 3.48Å; Y72-I117 VanDerWaalsContact CE1-CD1 3.48Å; Y72-I117 HydrophobicContact CE1-CG1 3.93Å; Y72-I117 HydrophobicContact CE1-CG2 4.06Å; Y72-I117 HydrophobicContact CG-CD1 4.05Å; Y72-I117 HydrophobicContact CG-CG1 4.28Å; H75-I117 HydrophobicContact CB-CD1 4.12Å; G113-I117 VanDerWaalsContact O-CD1 3.3Å; G113-I117 WeakPolarHBondContact O-CD1 3.43Å; G113-I117 VanDerWaalsContact O-CG1 3.23Å; G113-I117 WeakPolarHBondContact O-CG1 3.17Å; G113-I117 PolarHBondContact O-N 2.7Å; G113-I117 VanDerWaalsContact O-N 3.09Å; A114-I117 WeakPolarHBondContact O-CB 3.36Å; A114-I117 PolarHBondContact O-N 3.04Å; A114-I117 VanDerWaalsContact O-N 3.14Å; E115-I117 VanDerWaalsContact C-N 3.26Å; E115-I117 PolarHBondContact O-N 3.18Å; I117-S121 WeakPolarHBondContact O-CB 3.42Å; I117-S121 PolarHBondContact O-N 3.15Å; I117-S121 PolarHBondContact O-OG 2.97Å; I117-Y249 HydrophobicContact CB-CE2 4.32Å; I117-Y249 HydrophobicContact CD1-CE2 4.31Å; I117-Y249 HydrophobicContact CG2-CD1 4.33Å; I117-Y249 HydrophobicContact CG2-CD2 3.71Å; I117-Y249 HydrophobicContact CG2-CE1 4.22Å; I117-Y249 HydrophobicContact CG2-CE2 3.6Å; I117-Y249 HydrophobicContact CG2-CG 4.09Å
118I94.8Very high94.7Very high3 Ų317.8 Ų17.82%0.01510%0.098CC..Hα-helixtrans-64-51.6-179.7-68.5168.7000110.3A114 E115 S121 F122 F195 I198 V199 Y249 M253A114-I118 WeakPolarHBondContact O-CG1 3.47Å; A114-I118 PolarHBondContact O-N 2.92Å; E115-I118 PolarHBondContact O-N 3.44Å; I118-S121 WeakPolarHBondContact O-CB 3.18Å; I118-S121 PolarHBondContact O-N 2.92Å; I118-F122 PolarHBondContact O-N 3.21Å; I118-F195 HydrophobicContact CD1-CB 4.11Å; I118-F195 HydrophobicContact CD1-CD1 3.73Å; I118-F195 HydrophobicContact CD1-CE1 4.32Å; I118-F195 HydrophobicContact CD1-CG 3.9Å; I118-I198 HydrophobicContact CG2-CB 4.01Å; I118-I198 HydrophobicContact CG2-CG2 3.51Å; I118-V199 HydrophobicContact CD1-CG2 4.48Å; I118-V199 HydrophobicContact CG1-CG2 4.25Å; I118-V199 HydrophobicContact CG2-CG2 4.17Å; I118-Y249 HydrophobicContact CD1-CE1 4.2Å; I118-Y249 HydrophobicContact CG1-CE1 3.6Å; I118-M253 HydrophobicContact CD1-CE 3.91Å; I118-M253 HydrophobicContact CD1-SD 4.09Å
119D96Very high94.7Very high13 Ų1317.4 Ų17.47%0.0710%0.098CC..Hα-helixtrans-64.9-46-175.9-72.2-12.9000111.9E115 S121 F122 L123 V154 H157E115-D119 WeakPolarHBondContact O-CB 3.25Å; E115-D119 PolarHBondContact O-N 3.21Å; D119-S121 VanDerWaalsContact C-N 3.27Å; D119-S121 PolarHBondContact O-N 3.12Å; D119-F122 PolarHBondContact O-N 3.28Å; D119-L123 WeakPolarHBondContact O-CB 3.22Å; D119-L123 VanDerWaalsContact O-CG 3.3Å; D119-L123 WeakPolarHBondContact O-CG 3.4Å; D119-L123 PolarHBondContact O-N 3.32Å; D119-V154 HydrophobicContact CB-CB 4.45Å; D119-V154 HydrophobicContact CB-CG1 4Å; D119-V154 HydrophobicContact CB-CG2 3.93Å; D119-H157 VanDerWaalsContact CG-ND1 3.35Å; D119-H157 IonicContact OD1-CE1 3.45Å; D119-H157 PolarHBondContact OD1-CE1 3.32Å; D119-H157 IonicContact OD1-ND1 3.26Å; D119-H157 PolarHBondContact OD1-ND1 3.2Å; D119-H157 IonicContact OD2-CE1 3.65Å; D119-H157 IonicContact OD2-CG 2.75Å; D119-H157 IonicContact OD2-ND1 2.74Å; D119-H157 PolarHBondContact OD2-ND1 3.06Å
120V96.6Very high94.7Very high2 Ų217.8 Ų17.81%0.01210%0.097CC..Hα-helixtrans-65.6-34.3177.8174.60000110.5L64 F67 L68 I116 T124L64-V120 HydrophobicContact CB-CG1 4.39Å; L64-V120 VanDerWaalsContact O-CG1 3.27Å; L64-V120 WeakPolarHBondContact O-CG1 3.14Å; F67-V120 HydrophobicContact CB-CG1 4.2Å; F67-V120 HydrophobicContact CB-CG2 4.1Å; L68-V120 HydrophobicContact CB-CG1 4.01Å; I116-V120 HydrophobicContact CG2-CG2 3.96Å; I116-V120 WeakPolarHBondContact O-CB 3.47Å; I116-V120 WeakPolarHBondContact O-CG2 3.17Å; I116-V120 PolarHBondContact O-N 2.98Å; V120-T124 VanDerWaalsContact O-CB 3.25Å; V120-T124 WeakPolarHBondContact O-CB 3.47Å; V120-T124 PolarHBondContact O-N 3.24Å; V120-T124 PolarHBondContact O-OG1 2.68Å
121S96.5Very high94.6Very high7 Ų718.5 Ų18.55%0.04910%0.103CC..Hα-helixtrans-65.4-44.7175.3-67.20000112I117 I118 D119 T124 A125I117-S121 WeakPolarHBondContact O-CB 3.42Å; I117-S121 PolarHBondContact O-N 3.15Å; I117-S121 PolarHBondContact O-OG 2.97Å; I118-S121 WeakPolarHBondContact O-CB 3.18Å; I118-S121 PolarHBondContact O-N 2.92Å; D119-S121 VanDerWaalsContact C-N 3.27Å; D119-S121 PolarHBondContact O-N 3.12Å; S121-T124 PolarHBondContact O-N 3.2Å; S121-A125 PolarHBondContact O-N 3.43Å
122F96.6Very high94.5Very high71 Ų7120.1 Ų20.131%0.31111%0.113SC..Hα-helixtrans-61.7-49.8174.6175.8-104.8000111.4I118 D119 T124 A125 A126 I198 A201 T202 I205I118-F122 PolarHBondContact O-N 3.21Å; D119-F122 PolarHBondContact O-N 3.28Å; F122-T124 VanDerWaalsContact C-N 3.28Å; F122-T124 PolarHBondContact O-N 3.32Å; F122-A125 WeakPolarHBondContact O-CA 3.45Å; F122-A125 WeakPolarHBondContact O-CB 3.34Å; F122-A125 PolarHBondContact O-N 2.84Å; F122-A126 PolarHBondContact O-N 3.39Å; F122-I198 HydrophobicContact CB-CG2 3.85Å; F122-I198 HydrophobicContact CD2-CG2 4.31Å; F122-I198 HydrophobicContact CG-CG2 4.1Å; F122-A201 HydrophobicContact CE2-CB 4.26Å; F122-T202 WeakPolarHBondContact CA-OG1 3.42Å; F122-T202 WeakPolarHBondContact CB-OG1 3.24Å; F122-T202 WeakPolarHBondContact CD2-OG1 3.29Å; F122-I205 HydrophobicContact CD2-CD1 4.33Å; F122-I205 HydrophobicContact CE2-CD1 3.82Å
123L96.2Very high94.4Very high18 Ų1822.2 Ų22.29%0.09412%0.12CC..Hα-helixtrans-64.2-33.4178.7-70.1175.2000112.3D119 A126 D127 Q150 V154D119-L123 WeakPolarHBondContact O-CB 3.22Å; D119-L123 VanDerWaalsContact O-CG 3.3Å; D119-L123 WeakPolarHBondContact O-CG 3.4Å; D119-L123 PolarHBondContact O-N 3.32Å; L123-A126 PolarHBondContact O-N 3.13Å; L123-D127 WeakPolarHBondContact O-CB 3.42Å; L123-D127 PolarHBondContact O-N 3.36Å; L123-Q150 HydrophobicContact CD1-CB 4.09Å; L123-Q150 WeakPolarHBondContact CD1-O 3.42Å; L123-V154 HydrophobicContact CD1-CG2 3.21Å
124T95.4Very high94.2Very high4 Ų425.4 Ų25.43%0.02514%0.137CC..Hα-helixtrans-63.5-44.6171.6-60.50000110.7L64 V120 S121 F122 D127 R128 F242L64-T124 WeakPolarHBondContact CB-OG1 3.27Å; V120-T124 VanDerWaalsContact O-CB 3.25Å; V120-T124 WeakPolarHBondContact O-CB 3.47Å; V120-T124 PolarHBondContact O-N 3.24Å; V120-T124 PolarHBondContact O-OG1 2.68Å; S121-T124 PolarHBondContact O-N 3.2Å; F122-T124 VanDerWaalsContact C-N 3.28Å; F122-T124 PolarHBondContact O-N 3.32Å; T124-D127 PolarHBondContact O-N 2.87Å; T124-R128 WeakPolarHBondContact O-CB 3.18Å; T124-R128 VanDerWaalsContact O-CG 3.24Å; T124-R128 WeakPolarHBondContact O-CG 3.42Å; T124-R128 PolarHBondContact O-N 3.23Å; T124-F242 HydrophobicContact CG2-CD1 4.49Å; T124-F242 HydrophobicContact CG2-CD2 4.09Å; T124-F242 HydrophobicContact CG2-CE2 4.19Å; T124-F242 HydrophobicContact CG2-CG 4.25Å; T124-F242 HydrophobicContact CG2-CZ 4.46Å
125A95.3Very high93.9Very high0 Ų028.3 Ų28.30%016%0.155CC..Hα-helixtrans-61.5-47.6176.700000111.3S121 F122 R128 C129 T202 I205 Y206S121-A125 PolarHBondContact O-N 3.43Å; F122-A125 WeakPolarHBondContact O-CA 3.45Å; F122-A125 WeakPolarHBondContact O-CB 3.34Å; F122-A125 PolarHBondContact O-N 2.84Å; A125-R128 PolarHBondContact O-N 2.87Å; A125-C129 WeakPolarHBondContact O-CB 3.34Å; A125-C129 PolarHBondContact O-N 2.88Å; A125-T202 HydrophobicContact CB-CG2 4.11Å; A125-I205 HydrophobicContact CB-CB 4.17Å; A125-I205 HydrophobicContact CB-CG2 3.74Å; A125-Y206 HydrophobicContact CB-CD2 4.09Å; A125-Y206 HydrophobicContact CB-CE1 4.13Å; A125-Y206 HydrophobicContact CB-CE2 3.61Å; A125-Y206 PolarHBondContact N-OH 2.89Å
126A94.8Very high93.7Very high25 Ų2532.8 Ų32.821%0.20718%0.182CC..Hα-helixtrans-61.9-45.3177.200000112.3F122 L123 R128 C129 I130F122-A126 PolarHBondContact O-N 3.39Å; L123-A126 PolarHBondContact O-N 3.13Å; A126-R128 VanDerWaalsContact C-N 3.34Å; A126-R128 PolarHBondContact O-N 3.35Å; A126-C129 WeakPolarHBondContact O-CA 3.42Å; A126-C129 VanDerWaalsContact O-CB 3.31Å; A126-C129 WeakPolarHBondContact O-CB 3.1Å; A126-C129 PolarHBondContact O-N 2.85Å; A126-C129 VanDerWaalsContact O-N 3.1Å; A126-I130 WeakPolarHBondContact O-CG1 3.49Å; A126-I130 PolarHBondContact O-N 2.72Å
127D94.5Very high93.3Very high0 Ų034.8 Ų34.80%019%0.192CC..Hα-helixtrans-58.9-43.6176.1175.382000111.7L64 L123 T124 C129 A131 Y138 W146L64-D127 HydrophobicContact CD1-CB 4.02Å; L123-D127 WeakPolarHBondContact O-CB 3.42Å; L123-D127 PolarHBondContact O-N 3.36Å; T124-D127 PolarHBondContact O-N 2.87Å; D127-C129 VanDerWaalsContact C-N 3.33Å; D127-A131 VanDerWaalsContact O-CB 3.29Å; D127-A131 WeakPolarHBondContact O-CB 3.46Å; D127-A131 PolarHBondContact O-N 3.49Å; D127-Y138 WeakPolarHBondContact OD1-CE2 3.45Å; D127-Y138 PolarHBondContact OD1-OH 2.84Å; D127-Y138 PolarHBondContact OD2-OH 3.21Å; D127-Y138 VanDerWaalsContact OD2-OH 3.06Å; D127-W146 PolarHBondContact OD1-NE1 2.94Å
128R93Very high92.8Very high43 Ų4337 Ų3716%0.16220%0.2CC..Hα-helixtrans-66.6-35.7175.1-67.3-55.495.4-175.86.3111.9T124 A125 A126 V132 Y138 L209T124-R128 WeakPolarHBondContact O-CB 3.18Å; T124-R128 VanDerWaalsContact O-CG 3.24Å; T124-R128 WeakPolarHBondContact O-CG 3.42Å; T124-R128 PolarHBondContact O-N 3.23Å; A125-R128 PolarHBondContact O-N 2.87Å; A126-R128 VanDerWaalsContact C-N 3.34Å; A126-R128 PolarHBondContact O-N 3.35Å; R128-V132 VanDerWaalsContact O-CG2 3.28Å; R128-V132 WeakPolarHBondContact O-CG2 3.35Å; R128-V132 PolarHBondContact O-N 3.42Å; R128-V132 VanDerWaalsContact O-N 3.17Å; R128-Y138 PolarHBondContact NH2-OH 3.36Å; R128-L209 HydrophobicContact CB-CD1 3.98Å
129C93.6Very high92.4Very high31 Ų3147.6 Ų47.621%0.20924%0.24CC..Hα-helixtrans-62.5-52.4175.2-168.20000111.4A125 A126 D127 A131 V132 F133 I205 L209A125-C129 WeakPolarHBondContact O-CB 3.34Å; A125-C129 PolarHBondContact O-N 2.88Å; A126-C129 WeakPolarHBondContact O-CA 3.42Å; A126-C129 VanDerWaalsContact O-CB 3.31Å; A126-C129 WeakPolarHBondContact O-CB 3.1Å; A126-C129 PolarHBondContact O-N 2.85Å; A126-C129 VanDerWaalsContact O-N 3.1Å; D127-C129 VanDerWaalsContact C-N 3.33Å; C129-A131 VanDerWaalsContact C-N 3.31Å; C129-A131 PolarHBondContact O-N 2.83Å; C129-V132 PolarHBondContact O-N 2.89Å; C129-F133 VanDerWaalsContact O-CD2 3.24Å; C129-F133 WeakPolarHBondContact O-CD2 3.41Å; C129-F133 PolarHBondContact O-N 2.96Å; C129-F133 VanDerWaalsContact SG-CD2 3.52Å; C129-I205 HydrophobicContact CB-CG2 4.25Å; C129-L209 HydrophobicContact CB-CD1 4.22Å; C129-L209 HydrophobicContact CB-CD2 4.11Å
130I92.5Very high91.9Very high48 Ų4855.4 Ų55.425%0.24627%0.273CS..Hα-helixtrans-60.2-42.4178.1-65166.4000110.8A126 V132 F133 N134 M137 Y138 W146A126-I130 WeakPolarHBondContact O-CG1 3.49Å; A126-I130 PolarHBondContact O-N 2.72Å; I130-V132 PolarHBondContact O-N 3.2Å; I130-F133 PolarHBondContact O-N 2.9Å; I130-N134 CarbonylContact O-C 3.35Å; I130-N134 WeakPolarHBondContact O-CA 3.43Å; I130-N134 PolarHBondContact O-N 2.91Å; I130-M137 HydrophobicContact CG2-CE 3.57Å; I130-Y138 HydrophobicContact CG2-CD2 4.09Å; I130-W146 HydrophobicContact CD1-CH2 3.72Å; I130-W146 HydrophobicContact CD1-CZ2 3.68Å
131A90.8Very high91.2Very high19 Ų1958.3 Ų58.316%0.15729%0.287CS..Hα-helixtrans-63.3-23.8177.500000113.9D127 C129 Y138D127-A131 VanDerWaalsContact O-CB 3.29Å; D127-A131 WeakPolarHBondContact O-CB 3.46Å; D127-A131 PolarHBondContact O-N 3.49Å; C129-A131 VanDerWaalsContact C-N 3.31Å; C129-A131 PolarHBondContact O-N 2.83Å; A131-Y138 HydrophobicContact CB-CD1 3.93Å; A131-Y138 HydrophobicContact CB-CD2 4.07Å; A131-Y138 HydrophobicContact CB-CE1 3.91Å; A131-Y138 HydrophobicContact CB-CE2 4.04Å; A131-Y138 HydrophobicContact CB-CG 4Å
132V89Confident90.5Very high56 Ų5661.1 Ų61.134%0.33931%0.306SS..Hα-helixtrans-86.9-47.4177.5168.80000111.4R128 C129 I130 L209R128-V132 VanDerWaalsContact O-CG2 3.28Å; R128-V132 WeakPolarHBondContact O-CG2 3.35Å; R128-V132 PolarHBondContact O-N 3.42Å; R128-V132 VanDerWaalsContact O-N 3.17Å; C129-V132 PolarHBondContact O-N 2.89Å; I130-V132 PolarHBondContact O-N 3.2Å; V132-L209 HydrophobicContact CB-CD2 4.37Å; V132-L209 HydrophobicContact CG2-CD2 4.37Å
133F91.6Very high89.9Confident85 Ų8563 Ų6337%0.37331%0.314SS..Hα-helixtrans-88.1-29.1-173.4-66.7-71.3000113.9C129 I130 P135 F208 L209 W212C129-F133 VanDerWaalsContact O-CD2 3.24Å; C129-F133 WeakPolarHBondContact O-CD2 3.41Å; C129-F133 PolarHBondContact O-N 2.96Å; C129-F133 VanDerWaalsContact SG-CD2 3.52Å; I130-F133 PolarHBondContact O-N 2.9Å; F133-P135 VanDerWaalsContact C-CD 3.48Å; F133-F208 HydrophobicContact CD2-CE1 4.44Å; F133-F208 HydrophobicContact CE1-CE1 4.26Å; F133-F208 HydrophobicContact CE1-CZ 4.14Å; F133-F208 HydrophobicContact CE2-CD1 4.15Å; F133-F208 AromaticContact CE2-CE1 3.3Å; F133-F208 HydrophobicContact CE2-CE1 3.3Å; F133-F208 HydrophobicContact CE2-CZ 4.01Å; F133-F208 HydrophobicContact CZ-CD1 4.22Å; F133-F208 AromaticContact CZ-CE1 3.18Å; F133-F208 HydrophobicContact CZ-CE1 3.18Å; F133-F208 AromaticContact CZ-CZ 3.4Å; F133-F208 HydrophobicContact CZ-CZ 3.4Å; F133-F208 VanDerWaalsContact CZ-CZ 3.4Å; F133-L209 HydrophobicContact CE2-CD2 3.98Å; F133-W212 HydrophobicContact CD1-CZ2 4.35Å; F133-W212 AromaticContact CE1-CD2 3.73Å; F133-W212 HydrophobicContact CE1-CD2 3.73Å; F133-W212 AromaticContact CE1-CE2 3.53Å; F133-W212 HydrophobicContact CE1-CE3 4.02Å; F133-W212 HydrophobicContact CE1-CG 4.29Å; F133-W212 AromaticContact CE1-CH2 3.97Å; F133-W212 HydrophobicContact CE1-CH2 3.97Å; F133-W212 AromaticContact CE1-CZ2 3.68Å; F133-W212 HydrophobicContact CE1-CZ2 3.68Å; F133-W212 HydrophobicContact CE1-CZ3 4.13Å; F133-W212 AromaticContact CE1-NE1 3.94Å; F133-W212 AromaticContact CZ-CD2 3.85Å; F133-W212 HydrophobicContact CZ-CD2 3.85Å; F133-W212 HydrophobicContact CZ-CE3 4.22Å; F133-W212 AromaticContact CZ-CG 3.99Å; F133-W212 HydrophobicContact CZ-CG 3.99Å
134N91.7Very high89.4Confident67 Ų6771.6 Ų71.636%0.35835%0.346SS..  trans-129.965.2179.4-163.3-14.9000112.2I130 V136 M137 Y138I130-N134 CarbonylContact O-C 3.35Å; I130-N134 WeakPolarHBondContact O-CA 3.43Å; I130-N134 PolarHBondContact O-N 2.91Å; N134-V136 PolarHBondContact O-N 3.36Å; N134-M137 HydrophobicContact CB-CB 4.4Å; N134-M137 HydrophobicContact CB-CE 4.22Å; N134-M137 WeakPolarHBondContact ND2-CB 3.31Å; N134-M137 PolarHBondContact O-N 3.37Å; N134-M137 WeakPolarHBondContact OD1-CB 3.39Å; N134-M137 PolarHBondContact OD1-N 3.03Å; N134-M137 VanDerWaalsContact OD1-N 3.15Å; N134-Y138 WeakPolarHBondContact O-CB 3.11Å; N134-Y138 PolarHBondContact O-N 3.18Å
135P88Confident89.2Confident75 Ų7581.6 Ų81.649%0.48738%0.383SS..Hα-helixtrans-65.7-26.1-176.327.6-35.7000113.2F133 R139F133-P135 VanDerWaalsContact C-CD 3.48Å; P135-R139 WeakPolarHBondContact O-CB 3.19Å; P135-R139 PolarHBondContact O-N 3.48Å
136V89.9Confident89Confident94 Ų9483.8 Ų83.857%0.5739%0.392SS*.Hα-helixtrans-70.5-50.2-179.91790000110.3N134 R139 K140N134-V136 PolarHBondContact O-N 3.36Å; V136-R139 PolarHBondContact O-N 2.95Å; V136-K140 HydrophobicContact CG1-CD 4.5Å; V136-K140 WeakPolarHBondContact O-CG 3.37Å; V136-K140 PolarHBondContact O-N 3.38Å; V136-K140 VanDerWaalsContact O-N 3.09Å
137M86.4Confident88.8Confident69 Ų6983.1 Ų83.134%0.3438%0.384SS..Hα-helixtrans-61.7-45.6175.3-176.8-176.471.100110.9I130 N134 R139 K140 Q141I130-M137 HydrophobicContact CG2-CE 3.57Å; N134-M137 HydrophobicContact CB-CB 4.4Å; N134-M137 HydrophobicContact CB-CE 4.22Å; N134-M137 WeakPolarHBondContact ND2-CB 3.31Å; N134-M137 PolarHBondContact O-N 3.37Å; N134-M137 WeakPolarHBondContact OD1-CB 3.39Å; N134-M137 PolarHBondContact OD1-N 3.03Å; N134-M137 VanDerWaalsContact OD1-N 3.15Å; M137-R139 PolarHBondContact O-N 3.4Å; M137-K140 PolarHBondContact O-N 3.49Å; M137-Q141 HydrophobicContact CG-CG 4.49Å; M137-Q141 PolarHBondContact O-N 3.26Å
138Y86.4Confident88.7Confident46 Ų4684.8 Ų84.818%0.1840%0.402CS..Hα-helixtrans-58.6-34.1179.4-166.3-99.5000113N60 D127 R128 I130 A131 N134 W146N60-Y138 WeakPolarHBondContact CB-OH 3.07Å; N60-Y138 PolarHBondContact ND2-OH 2.94Å; D127-Y138 WeakPolarHBondContact OD1-CE2 3.45Å; D127-Y138 PolarHBondContact OD1-OH 2.84Å; D127-Y138 PolarHBondContact OD2-OH 3.21Å; D127-Y138 VanDerWaalsContact OD2-OH 3.06Å; R128-Y138 PolarHBondContact NH2-OH 3.36Å; I130-Y138 HydrophobicContact CG2-CD2 4.09Å; A131-Y138 HydrophobicContact CB-CD1 3.93Å; A131-Y138 HydrophobicContact CB-CD2 4.07Å; A131-Y138 HydrophobicContact CB-CE1 3.91Å; A131-Y138 HydrophobicContact CB-CE2 4.04Å; A131-Y138 HydrophobicContact CB-CG 4Å; N134-Y138 WeakPolarHBondContact O-CB 3.11Å; N134-Y138 PolarHBondContact O-N 3.18Å; Y138-W146 AromaticContact CE2-NE1 3.88Å
139R85.2Confident88.8Confident226 Ų22685.5 Ų85.585%0.85341%0.414SS*.Hα-helixtrans-78.7-31.9176.6-173.7177.4178-174.5-1.4112.9P135 V136 M137P135-R139 WeakPolarHBondContact O-CB 3.19Å; P135-R139 PolarHBondContact O-N 3.48Å; V136-R139 PolarHBondContact O-N 2.95Å; M137-R139 PolarHBondContact O-N 3.4Å
140K86.3Confident88.8Confident177 Ų17784.5 Ų84.577%0.7741%0.406SS*.Hα-helixtrans-76.1-30.2-179.3-78.3-173.1176.5-172.80112.8V136 M137V136-K140 HydrophobicContact CG1-CD 4.5Å; V136-K140 WeakPolarHBondContact O-CG 3.37Å; V136-K140 PolarHBondContact O-N 3.38Å; V136-K140 VanDerWaalsContact O-N 3.09Å; M137-K140 PolarHBondContact O-N 3.49Å
141Q81.4Confident88.9Confident64 Ų6484.3 Ų84.330%0.29941%0.405SS..SBendtrans-67.5139.8-179.3-77.1175.1-21.900112.2M137 K143M137-Q141 HydrophobicContact CG-CG 4.49Å; M137-Q141 PolarHBondContact O-N 3.26Å; Q141-K143 PolarHBondContact O-N 2.95Å
142S82.5Confident89.1Confident65 Ų6588.8 Ų88.846%0.45543%0.426SS..  trans-66.4124.5172.5179.10000109.8W144 W145 W146S142-W144 VanDerWaalsContact C-N 3.29Å; S142-W144 PolarHBondContact O-N 3.38Å; S142-W145 PolarHBondContact O-N 3.33Å; S142-W146 PolarHBondContact O-N 2.88Å
143K83.2Confident89.4Confident110 Ų11090.9 Ų90.948%0.47843%0.434SS..Hα-helixtrans-56.5-42.3-174.6-63.8-177.1179.8-176.30113R58 Q141 W146 I147R58-K143 PolarHBondContact O-NZ 3.21Å; Q141-K143 PolarHBondContact O-N 2.95Å; K143-W146 PolarHBondContact O-N 2.92Å; K143-I147 WeakPolarHBondContact O-CG1 3.22Å; K143-I147 PolarHBondContact O-N 3.4Å
144W86.9Confident89.6Confident200 Ų20087.3 Ų87.376%0.75842%0.419SS*.Hα-helixtrans-68.7-41-178.4-71.9109.9000111.9S142 G148S142-W144 VanDerWaalsContact C-N 3.29Å; S142-W144 PolarHBondContact O-N 3.38Å; W144-G148 WeakPolarHBondContact O-CA 3.35Å; W144-G148 PolarHBondContact O-N 2.9Å
145W90.5Very high89.8Confident213 Ų21387 Ų8781%0.80742%0.422SS*.Hα-helixtrans-65.6-40.6175-79.895.6000112.1S142 G148 S149S142-W145 PolarHBondContact O-N 3.33Å; W145-G148 PolarHBondContact O-N 3.38Å; W145-S149 WeakPolarHBondContact O-CB 3.23Å; W145-S149 PolarHBondContact O-N 3.32Å
146W91Very high90.2Very high47 Ų4786.4 Ų86.418%0.17842%0.417CS..Hα-helixtrans-63.7-51.5179.1-176.5-106.5000112.3D127 I130 Y138 S142 K143 G148 S149 Q150D127-W146 PolarHBondContact OD1-NE1 2.94Å; I130-W146 HydrophobicContact CD1-CH2 3.72Å; I130-W146 HydrophobicContact CD1-CZ2 3.68Å; Y138-W146 AromaticContact CE2-NE1 3.88Å; S142-W146 PolarHBondContact O-N 2.88Å; K143-W146 PolarHBondContact O-N 2.92Å; W146-G148 VanDerWaalsContact C-N 3.35Å; W146-S149 PolarHBondContact O-N 3.44Å; W146-Q150 WeakPolarHBondContact O-CG 3.32Å; W146-Q150 PolarHBondContact O-N 2.91Å; W146-Q150 VanDerWaalsContact O-N 3.09Å
147I90.5Very high90.4Very high10 Ų1083.9 Ų83.95%0.05140%0.399CS..Hα-helixtrans-66-41177.8-65.1174.2000110.4N60 L63 F67 K143 S149 Q150 L151N60-I147 HydrophobicContact CB-CD1 4.11Å; N60-I147 HydrophobicContact CB-CG1 4.43Å; L63-I147 HydrophobicContact CB-CD1 3.99Å; L63-I147 HydrophobicContact CD1-CD1 3.29Å; L63-I147 HydrophobicContact CG-CD1 4.27Å; F67-I147 HydrophobicContact CE2-CG2 4.22Å; K143-I147 WeakPolarHBondContact O-CG1 3.22Å; K143-I147 PolarHBondContact O-N 3.4Å; I147-S149 VanDerWaalsContact C-N 3.31Å; I147-S149 PolarHBondContact O-N 3.22Å; I147-Q150 WeakPolarHBondContact O-CB 3.24Å; I147-Q150 PolarHBondContact O-N 3.35Å; I147-L151 HydrophobicContact CG2-CD1 3.93Å; I147-L151 HydrophobicContact CG2-CG 4.27Å; I147-L151 WeakPolarHBondContact O-CG 3.2Å; I147-L151 PolarHBondContact O-N 3.14Å
148G93Very high90.8Very high36 Ų3681.7 Ų81.737%0.37139%0.388SS..Hα-helixtrans-58.4-42.1175.800000112.5W144 W145 W146 L151 L152W144-G148 WeakPolarHBondContact O-CA 3.35Å; W144-G148 PolarHBondContact O-N 2.9Å; W145-G148 PolarHBondContact O-N 3.38Å; W146-G148 VanDerWaalsContact C-N 3.35Å; G148-L151 PolarHBondContact O-N 3.12Å; G148-L152 WeakPolarHBondContact O-CB 3.05Å; G148-L152 PolarHBondContact O-N 2.77Å
149S94Very high91.2Very high58 Ų5884.5 Ų84.541%0.40641%0.405SS..Hα-helixtrans-65.3-40.1175.71790000112.4W145 W146 I147 L152 I153W145-S149 WeakPolarHBondContact O-CB 3.23Å; W145-S149 PolarHBondContact O-N 3.32Å; W146-S149 PolarHBondContact O-N 3.44Å; I147-S149 VanDerWaalsContact C-N 3.31Å; I147-S149 PolarHBondContact O-N 3.22Å; S149-L152 PolarHBondContact O-N 2.89Å; S149-I153 WeakPolarHBondContact O-CG1 3.24Å; S149-I153 PolarHBondContact O-N 3.48Å; S149-I153 VanDerWaalsContact O-N 3.13Å
150Q94Very high91.6Very high9 Ų980.7 Ų80.74%0.04240%0.395CS..Hα-helixtrans-61.6-48174.8-74.1179.8-27.200111.3L123 W146 I147 L152 I153 V154L123-Q150 HydrophobicContact CD1-CB 4.09Å; L123-Q150 WeakPolarHBondContact CD1-O 3.42Å; W146-Q150 WeakPolarHBondContact O-CG 3.32Å; W146-Q150 PolarHBondContact O-N 2.91Å; W146-Q150 VanDerWaalsContact O-N 3.09Å; I147-Q150 WeakPolarHBondContact O-CB 3.24Å; I147-Q150 PolarHBondContact O-N 3.35Å; Q150-L152 VanDerWaalsContact C-N 3.32Å; Q150-L152 PolarHBondContact O-N 3.06Å; Q150-I153 WeakPolarHBondContact O-CB 3.36Å; Q150-I153 PolarHBondContact O-N 3.09Å; Q150-V154 WeakPolarHBondContact O-CG2 3.11Å; Q150-V154 PolarHBondContact O-N 2.98Å; Q150-V154 VanDerWaalsContact O-N 3.12Å
151L93.7Very high91.8Very high44 Ų4472.4 Ų72.423%0.2336%0.36CS..Hα-helixtrans-65.4-35.5178.3-65.7172.8000112.4F67 I147 G148 I153 V154 S155F67-L151 HydrophobicContact CD1-CD2 3.77Å; F67-L151 HydrophobicContact CD2-CD1 4.43Å; F67-L151 HydrophobicContact CD2-CD2 3.82Å; F67-L151 HydrophobicContact CE1-CD1 3.85Å; F67-L151 HydrophobicContact CE1-CD2 3.81Å; F67-L151 HydrophobicContact CE1-CG 4.5Å; F67-L151 HydrophobicContact CE2-CD1 3.63Å; F67-L151 HydrophobicContact CE2-CD2 3.87Å; F67-L151 HydrophobicContact CE2-CG 4.24Å; F67-L151 HydrophobicContact CG-CD2 3.79Å; F67-L151 HydrophobicContact CZ-CD1 3.3Å; F67-L151 HydrophobicContact CZ-CD2 3.88Å; F67-L151 HydrophobicContact CZ-CG 4.19Å; I147-L151 HydrophobicContact CG2-CD1 3.93Å; I147-L151 HydrophobicContact CG2-CG 4.27Å; I147-L151 WeakPolarHBondContact O-CG 3.2Å; I147-L151 PolarHBondContact O-N 3.14Å; G148-L151 PolarHBondContact O-N 3.12Å; L151-I153 VanDerWaalsContact C-N 3.3Å; L151-I153 PolarHBondContact O-N 2.68Å; L151-V154 PolarHBondContact O-N 3.4Å; L151-S155 WeakPolarHBondContact O-CB 3.45Å; L151-S155 PolarHBondContact O-N 3.01Å; L151-S155 PolarHBondContact O-OG 3.02Å
152L95.9Very high92.2Very high114 Ų11470.9 Ų70.960%0.59736%0.355SS*.Hα-helixtrans-60.7-42.2174.3-177.964.8000111G148 S149 Q150 S155 V156G148-L152 WeakPolarHBondContact O-CB 3.05Å; G148-L152 PolarHBondContact O-N 2.77Å; S149-L152 PolarHBondContact O-N 2.89Å; Q150-L152 VanDerWaalsContact C-N 3.32Å; Q150-L152 PolarHBondContact O-N 3.06Å; L152-S155 PolarHBondContact O-N 2.83Å; L152-V156 HydrophobicContact CD1-CG2 4.24Å; L152-V156 HydrophobicContact CG-CG2 4.43Å; L152-V156 WeakPolarHBondContact O-CB 3.39Å; L152-V156 VanDerWaalsContact O-CG2 3.22Å; L152-V156 WeakPolarHBondContact O-CG2 3.16Å; L152-V156 PolarHBondContact O-N 2.68Å
153I95.6Very high92.7Very high99 Ų9971.7 Ų71.751%0.50836%0.357SS..Hα-helixtrans-61.3-47.1176-66.9163.9000110.5S149 Q150 L151 V156 H157S149-I153 WeakPolarHBondContact O-CG1 3.24Å; S149-I153 PolarHBondContact O-N 3.48Å; S149-I153 VanDerWaalsContact O-N 3.13Å; Q150-I153 WeakPolarHBondContact O-CB 3.36Å; Q150-I153 PolarHBondContact O-N 3.09Å; L151-I153 VanDerWaalsContact C-N 3.3Å; L151-I153 PolarHBondContact O-N 2.68Å; I153-V156 PolarHBondContact O-N 3.29Å; I153-H157 WeakPolarHBondContact O-CB 3.39Å; I153-H157 PolarHBondContact O-N 2.94Å
154V95Very high93Very high10 Ų1070.1 Ų70.16%0.06135%0.348CS..Hα-helixtrans-58.2-50.8175.9-179.90000110.9D119 L123 Q150 L151 V156 H157 I158D119-V154 HydrophobicContact CB-CB 4.45Å; D119-V154 HydrophobicContact CB-CG1 4Å; D119-V154 HydrophobicContact CB-CG2 3.93Å; L123-V154 HydrophobicContact CD1-CG2 3.21Å; Q150-V154 WeakPolarHBondContact O-CG2 3.11Å; Q150-V154 PolarHBondContact O-N 2.98Å; Q150-V154 VanDerWaalsContact O-N 3.12Å; L151-V154 PolarHBondContact O-N 3.4Å; V154-V156 VanDerWaalsContact C-N 3.33Å; V154-V156 PolarHBondContact O-N 3.39Å; V154-H157 PolarHBondContact O-N 2.88Å; V154-I158 HydrophobicContact CG1-CD1 3.52Å; V154-I158 HydrophobicContact CG1-CG1 4.25Å; V154-I158 WeakPolarHBondContact O-CB 3.16Å; V154-I158 VanDerWaalsContact O-CG1 3.29Å; V154-I158 WeakPolarHBondContact O-CG1 3.47Å; V154-I158 PolarHBondContact O-N 3.21Å
155S95.6Very high92.9Very high60 Ų6061 Ų6142%0.4231%0.314SS..Hα-helixtrans-59.9-43-179.2-63.80000112.2L151 L152 I159L151-S155 WeakPolarHBondContact O-CB 3.45Å; L151-S155 PolarHBondContact O-N 3.01Å; L151-S155 PolarHBondContact O-OG 3.02Å; L152-S155 PolarHBondContact O-N 2.83Å; S155-I159 WeakPolarHBondContact O-CB 3.3Å; S155-I159 WeakPolarHBondContact O-CD1 3.3Å; S155-I159 WeakPolarHBondContact O-CG1 3.14Å; S155-I159 PolarHBondContact O-N 3.21Å
156V97Very high92.9Very high63 Ų6352.9 Ų52.938%0.38229%0.292SS..Hα-helixtrans-64.1-46.7178.1169.20000110.6L152 I153 V154 I159 F160L152-V156 HydrophobicContact CD1-CG2 4.24Å; L152-V156 HydrophobicContact CG-CG2 4.43Å; L152-V156 WeakPolarHBondContact O-CB 3.39Å; L152-V156 VanDerWaalsContact O-CG2 3.22Å; L152-V156 WeakPolarHBondContact O-CG2 3.16Å; L152-V156 PolarHBondContact O-N 2.68Å; I153-V156 PolarHBondContact O-N 3.29Å; V154-V156 VanDerWaalsContact C-N 3.33Å; V154-V156 PolarHBondContact O-N 3.39Å; V156-I159 PolarHBondContact O-N 3.38Å; V156-F160 HydrophobicContact CG1-CD2 3.61Å; V156-F160 HydrophobicContact CG1-CE2 3.52Å; V156-F160 WeakPolarHBondContact O-CD2 3.16Å; V156-F160 PolarHBondContact O-N 2.86Å
157H94.6Very high92.9Very high41 Ų4155.7 Ų55.719%0.1931%0.314CS..Hα-helixtrans-59-49.2178176.1-115.8000111.8D119 I153 V154 I159 F160 A161 E194D119-H157 VanDerWaalsContact CG-ND1 3.35Å; D119-H157 IonicContact OD1-CE1 3.45Å; D119-H157 PolarHBondContact OD1-CE1 3.32Å; D119-H157 IonicContact OD1-ND1 3.26Å; D119-H157 PolarHBondContact OD1-ND1 3.2Å; D119-H157 IonicContact OD2-CE1 3.65Å; D119-H157 IonicContact OD2-CG 2.75Å; D119-H157 IonicContact OD2-ND1 2.74Å; D119-H157 PolarHBondContact OD2-ND1 3.06Å; I153-H157 WeakPolarHBondContact O-CB 3.39Å; I153-H157 PolarHBondContact O-N 2.94Å; V154-H157 PolarHBondContact O-N 2.88Å; H157-I159 PolarHBondContact O-N 3.43Å; H157-F160 PolarHBondContact O-N 2.96Å; H157-A161 WeakPolarHBondContact O-CB 3.45Å; H157-A161 PolarHBondContact O-N 3.46Å; H157-E194 IonicContact CD2-OE1 3.54Å; H157-E194 IonicContact NE2-OE1 3.89Å; H157-E194 PolarHBondContact NE2-OE1 3.17Å
158I94.2Very high92.8Very high23 Ų2356.1 Ų56.112%0.11832%0.318CS..Hα-helixtrans-60.6-42.6178.2-70172.5000111.9L112 E115 I116 V154 A161 T162L112-I158 HydrophobicContact CD2-CG2 3.3Å; E115-I158 HydrophobicContact CB-CG1 4.15Å; I116-I158 HydrophobicContact CB-CD1 4.48Å; I116-I158 HydrophobicContact CD1-CD1 4.26Å; I116-I158 HydrophobicContact CG1-CD1 3.35Å; V154-I158 HydrophobicContact CG1-CD1 3.52Å; V154-I158 HydrophobicContact CG1-CG1 4.25Å; V154-I158 WeakPolarHBondContact O-CB 3.16Å; V154-I158 VanDerWaalsContact O-CG1 3.29Å; V154-I158 WeakPolarHBondContact O-CG1 3.47Å; V154-I158 PolarHBondContact O-N 3.21Å; I158-A161 PolarHBondContact O-N 3.34Å; I158-T162 VanDerWaalsContact O-CB 3.26Å; I158-T162 WeakPolarHBondContact O-CB 3.44Å; I158-T162 PolarHBondContact O-N 2.86Å; I158-T162 PolarHBondContact O-OG1 2.86Å
159I94.7Very high92.6Very high105 Ų10555.5 Ų55.554%0.53831%0.308SS..Hα-helixtrans-61.7-47.3177.6-71.4164.5000109.9S155 V156 H157 T162 V163S155-I159 WeakPolarHBondContact O-CB 3.3Å; S155-I159 WeakPolarHBondContact O-CD1 3.3Å; S155-I159 WeakPolarHBondContact O-CG1 3.14Å; S155-I159 PolarHBondContact O-N 3.21Å; V156-I159 PolarHBondContact O-N 3.38Å; H157-I159 PolarHBondContact O-N 3.43Å; I159-T162 PolarHBondContact O-N 2.71Å; I159-V163 HydrophobicContact CG2-CG2 4.35Å; I159-V163 WeakPolarHBondContact O-CB 3.23Å; I159-V163 VanDerWaalsContact O-CG2 3.24Å; I159-V163 WeakPolarHBondContact O-CG2 3.36Å; I159-V163 PolarHBondContact O-N 2.96Å
160F93.9Very high92.3Very high146 Ų14654.4 Ų54.464%0.6430%0.3SS*.Hα-helixtrans-63-43.7177.8-82.6-64.6000112.4V156 H157 V163 R164V156-F160 HydrophobicContact CG1-CD2 3.61Å; V156-F160 HydrophobicContact CG1-CE2 3.52Å; V156-F160 WeakPolarHBondContact O-CD2 3.16Å; V156-F160 PolarHBondContact O-N 2.86Å; H157-F160 PolarHBondContact O-N 2.96Å; F160-V163 PolarHBondContact O-N 3.07Å; F160-R164 VanDerWaalsContact O-CB 3.31Å; F160-R164 WeakPolarHBondContact O-CB 3.33Å; F160-R164 PolarHBondContact O-N 3.09Å
161A90Very high91.9Very high3 Ų361.3 Ų61.33%0.02533%0.332CS..Hα-helixtrans-60.9-49.5176.700000110.8E115 H157 I158 V163 R164 H165E115-A161 WeakPolarHBondContact OE1-CB 3.45Å; H157-A161 WeakPolarHBondContact O-CB 3.45Å; H157-A161 PolarHBondContact O-N 3.46Å; I158-A161 PolarHBondContact O-N 3.34Å; A161-V163 PolarHBondContact O-N 3.46Å; A161-R164 WeakPolarHBondContact O-CB 3.44Å; A161-R164 PolarHBondContact O-N 2.88Å; A161-H165 PolarHBondContact O-CD2 3.03Å; A161-H165 PolarHBondContact O-N 3.49Å
162T90.4Very high91.6Very high32 Ų3265.1 Ų65.120%0.19635%0.348CS..Hα-helixtrans-62-42.9179.4-56.30000112.2F104 I108 L112 I158 I159 H165 A166F104-T162 HydrophobicContact CZ-CG2 4.45Å; I108-T162 HydrophobicContact CD1-CG2 4.05Å; L112-T162 WeakPolarHBondContact CD2-OG1 3.36Å; I158-T162 VanDerWaalsContact O-CB 3.26Å; I158-T162 WeakPolarHBondContact O-CB 3.44Å; I158-T162 PolarHBondContact O-N 2.86Å; I158-T162 PolarHBondContact O-OG1 2.86Å; I159-T162 PolarHBondContact O-N 2.71Å; T162-H165 WeakPolarHBondContact O-CB 3.26Å; T162-H165 PolarHBondContact O-N 3.14Å; T162-A166 WeakPolarHBondContact O-CB 3.46Å; T162-A166 PolarHBondContact O-N 3.16Å
163V92.3Very high91.1Very high83 Ų8360.9 Ų60.950%0.50333%0.328SS..Hα-helixtrans-62.9-46.8176.1169.40000110I159 F160 A161 H165 A166 T167I159-V163 HydrophobicContact CG2-CG2 4.35Å; I159-V163 WeakPolarHBondContact O-CB 3.23Å; I159-V163 VanDerWaalsContact O-CG2 3.24Å; I159-V163 WeakPolarHBondContact O-CG2 3.36Å; I159-V163 PolarHBondContact O-N 2.96Å; F160-V163 PolarHBondContact O-N 3.07Å; A161-V163 PolarHBondContact O-N 3.46Å; V163-H165 VanDerWaalsContact C-N 3.31Å; V163-H165 PolarHBondContact O-N 3.01Å; V163-A166 PolarHBondContact O-N 2.87Å; V163-T167 HydrophobicContact CG1-CG2 4.3Å; V163-T167 WeakPolarHBondContact O-CG2 3.47Å; V163-T167 PolarHBondContact O-N 3.07Å; V163-T167 PolarHBondContact O-OG1 2.86Å; V163-T167 VanDerWaalsContact O-OG1 3.04Å
164R89.5Confident90.6Very high76 Ų7656.7 Ų56.729%0.28731%0.307SS..Hα-helixtrans-56.5-45.4175.7178.5-177.764.7-169.5-7.9111.3F160 A161 T167 S168 V187 E194F160-R164 VanDerWaalsContact O-CB 3.31Å; F160-R164 WeakPolarHBondContact O-CB 3.33Å; F160-R164 PolarHBondContact O-N 3.09Å; A161-R164 WeakPolarHBondContact O-CB 3.44Å; A161-R164 PolarHBondContact O-N 2.88Å; R164-T167 PolarHBondContact O-OG1 3.39Å; R164-S168 PolarHBondContact O-N 3.47Å; R164-S168 PolarHBondContact O-OG 2.91Å; R164-V187 HydrophobicContact CG-CG1 4.3Å; R164-E194 IonicContact CZ-OE2 3.94Å; R164-E194 VanDerWaalsContact CZ-OE2 3.26Å; R164-E194 IonicContact NH1-OE2 3.9Å; R164-E194 PolarHBondContact NH1-OE2 3.04Å; R164-E194 IonicContact NH2-OE2 3.85Å; R164-E194 PolarHBondContact NH2-OE2 3.09Å
165H86.1Confident89.7Confident10 Ų1057.4 Ų57.45%0.04631%0.312CS..Hα-helixtrans-59.1-53.6175.2-83.5-86.6000111.5F104 E115 A161 T162 V163 T167 S168 T169 M191F104-H165 HydrophobicContact CD2-CB 4.24Å; F104-H165 HydrophobicContact CE2-CB 3.54Å; F104-H165 HydrophobicContact CZ-CB 4.23Å; E115-H165 IonicContact OE1-NE2 2.92Å; A161-H165 PolarHBondContact O-CD2 3.03Å; A161-H165 PolarHBondContact O-N 3.49Å; T162-H165 WeakPolarHBondContact O-CB 3.26Å; T162-H165 PolarHBondContact O-N 3.14Å; V163-H165 VanDerWaalsContact C-N 3.31Å; V163-H165 PolarHBondContact O-N 3.01Å; H165-T167 VanDerWaalsContact C-N 3.31Å; H165-T167 PolarHBondContact O-N 3.22Å; H165-S168 CarbonylContact O-C 3.57Å; H165-S168 PolarHBondContact O-N 3.4Å; H165-S168 VanDerWaalsContact O-N 3.07Å; H165-T169 VanDerWaalsContact O-CG2 3.23Å; H165-T169 WeakPolarHBondContact O-CG2 3.35Å; H165-T169 PolarHBondContact O-N 3.45Å; H165-M191 WeakPolarHBondContact CE1-CE 3.28Å; H165-M191 PolarHBondContact CE1-SD 2.88Å; H165-M191 WeakPolarHBondContact ND1-CE 3.38Å; H165-M191 PolarHBondContact ND1-SD 3.25Å; H165-M191 VanDerWaalsContact ND1-SD 3.44Å; H165-M191 PolarHBondContact NE2-SD 3Å
166A89Confident88.9Confident41 Ų4155.7 Ų55.734%0.33930%0.297SS..Hα-helixtrans-60.8-40-176.300000112F104 T162 V163 S168 T169F104-A166 HydrophobicContact CE1-CB 4.07Å; F104-A166 HydrophobicContact CZ-CB 4.04Å; T162-A166 WeakPolarHBondContact O-CB 3.46Å; T162-A166 PolarHBondContact O-N 3.16Å; V163-A166 PolarHBondContact O-N 2.87Å; A166-S168 PolarHBondContact O-N 3.47Å; A166-T169 PolarHBondContact O-N 3.46Å; A166-T169 PolarHBondContact O-OG1 2.94Å
167T90.9Very high88.3Confident106 Ų10653.4 Ų53.465%0.6528%0.284SS*.Hα-helixtrans-68.7-19.9178.152.80000114V163 R164 H165V163-T167 HydrophobicContact CG1-CG2 4.3Å; V163-T167 WeakPolarHBondContact O-CG2 3.47Å; V163-T167 PolarHBondContact O-N 3.07Å; V163-T167 PolarHBondContact O-OG1 2.86Å; V163-T167 VanDerWaalsContact O-OG1 3.04Å; R164-T167 PolarHBondContact O-OG1 3.39Å; H165-T167 VanDerWaalsContact C-N 3.31Å; H165-T167 PolarHBondContact O-N 3.22Å
168S88.9Confident87.7Confident19 Ų1952.7 Ų52.713%0.13328%0.283CS..THydrogen-bonded Turntrans-103.615.1179.2-61.10000112.8R164 H165 A166 E184 V187R164-S168 PolarHBondContact O-N 3.47Å; R164-S168 PolarHBondContact O-OG 2.91Å; H165-S168 CarbonylContact O-C 3.57Å; H165-S168 PolarHBondContact O-N 3.4Å; H165-S168 VanDerWaalsContact O-N 3.07Å; A166-S168 PolarHBondContact O-N 3.47Å; S168-E184 PolarHBondContact O-N 3.03Å; S168-V187 WeakPolarHBondContact OG-CG2 3.24Å
169T88.7Confident87Confident24 Ų2454.5 Ų54.515%0.14729%0.292CS..  trans-99.8140.9171.162.60000109.1F104 H165 A166 A182 V183F104-T169 HydrophobicContact CB-CG2 3.58Å; F104-T169 HydrophobicContact CD1-CG2 4.19Å; F104-T169 HydrophobicContact CD2-CG2 3.98Å; F104-T169 HydrophobicContact CG-CG2 3.64Å; H165-T169 VanDerWaalsContact O-CG2 3.23Å; H165-T169 WeakPolarHBondContact O-CG2 3.35Å; H165-T169 PolarHBondContact O-N 3.45Å; A166-T169 PolarHBondContact O-N 3.46Å; A166-T169 PolarHBondContact O-OG1 2.94Å; T169-A182 WeakPolarHBondContact CG2-O 3.21Å; T169-V183 HydrophobicContact CG2-CG1 4.08Å
170S87.3Confident86.3Confident34 Ų3451.6 Ų51.624%0.23828%0.278CS..  trans-122.2176178.2760000111.4Q100 L101 E172Q100-S170 WeakPolarHBondContact CB-O 3.5Å; Q100-S170 PolarHBondContact OE1-OG 2.91Å; L101-S170 PolarHBondContact N-O 3.27Å; L101-S170 VanDerWaalsContact N-O 3.1Å; S170-E172 VanDerWaalsContact OG-CB 3.23Å; S170-E172 WeakPolarHBondContact OG-CB 3.3Å; S170-E172 WeakPolarHBondContact OG-CG 3.39Å; S170-E172 PolarHBondContact OG-N 3.42Å; S170-E172 VanDerWaalsContact OG-N 3.1Å
171Q86.5Confident85.8Confident155 Ų15546.7 Ų46.772%0.72426%0.26SS*.SBendtrans-87.113.9169.1-67-167.8-21.200112.6C173Q171-C173 PolarHBondContact O-N 3.47Å
172E86.3Confident85.4Confident123 Ų12346.7 Ų46.758%0.57526%0.26SS*.  trans-60.9138.1174.6-71175.6173.500110.8T99 Q100 S170T99-E172 CarbonylContact C-O 3.6Å; T99-E172 WeakPolarHBondContact CA-O 3.41Å; Q100-E172 HydrophobicContact CG-CB 4.33Å; Q100-E172 PolarHBondContact N-O 2.82Å; Q100-E172 PolarHBondContact NE2-OE2 3.37Å; S170-E172 VanDerWaalsContact OG-CB 3.23Å; S170-E172 WeakPolarHBondContact OG-CB 3.3Å; S170-E172 WeakPolarHBondContact OG-CG 3.39Å; S170-E172 PolarHBondContact OG-N 3.42Å; S170-E172 VanDerWaalsContact OG-N 3.1Å
173C85.9Confident85.1Confident26 Ų2645.5 Ų45.518%0.17625%0.253CS..EExtended strand (participates in β ladder)trans-80.5132.8179.1-780000110.8I5 C8 P97 Q98 Q171I5-C173 HydrophobicContact CB-CB 4.4Å; I5-C173 HydrophobicContact CG2-CB 3.81Å; C8-C173 HydrophobicContact CB-CB 3.91Å; C8-C173 WeakPolarHBondContact CB-SG 3.46Å; C8-C173 WeakPolarHBondContact SG-CB 3.49Å; C8-C173 CovalentContact SG-SG 2.02Å; C8-C173 PolarHBondContact SG-SG 3.47Å; P97-C173 HydrophobicContact CB-CB 4.27Å; P97-C173 HydrophobicContact CG-CB 4.31Å; Q98-C173 WeakPolarHBondContact O-CA 3.4Å; Q171-C173 PolarHBondContact O-N 3.47Å
174I85.4Confident84.7Confident11 Ų1145.4 Ų45.46%0.05625%0.247CC..EExtended strand (participates in β ladder)trans-122.4146.4-178.554.3166.5000110.5I5 Q98 Q100 C103I5-I174 VanDerWaalsContact CD1-C 3.42Å; Q98-I174 PolarHBondContact N-O 3.3Å; Q98-I174 WeakPolarHBondContact O-CG1 3.32Å; Q98-I174 PolarHBondContact O-N 2.94Å; Q100-I174 HydrophobicContact CG-CG2 3.56Å; C103-I174 HydrophobicContact CB-CD1 3.68Å
175P77.2Confident84.3Confident25 Ų2546.4 Ų46.416%0.16226%0.257CS..SBendtrans-76.9-32.8-174.226.4-32.3000113.2I5 F10 T14 V18I5-P175 HydrophobicContact CD1-CB 3.93Å; I5-P175 HydrophobicContact CD1-CG 4.3Å; I5-P175 VanDerWaalsContact CD1-N 3.34Å; F10-P175 HydrophobicContact CE1-CB 3.87Å; T14-P175 HydrophobicContact CG2-CB 4.03Å; V18-P175 HydrophobicContact CG2-CB 3.98Å; V18-P175 WeakPolarHBondContact CG2-O 3.23Å
176L78.9Confident84.3Confident23 Ų2352 Ų5212%0.1228%0.283CS..SBendtrans-143.4132.7-178.7-171.868.4000109.5M1 V21 L22 V178 T181M1-L176 HydrophobicContact CE-CD2 3.44Å; M1-L176 VanDerWaalsContact CE-CD2 3.44Å; M1-L176 HydrophobicContact SD-CD2 4.43Å; V21-L176 HydrophobicContact CG1-CD2 3.88Å; L22-L176 HydrophobicContact CD2-CD1 3.93Å; L22-L176 HydrophobicContact CG-CD1 4.35Å; L176-V178 HydrophobicContact CD2-CG1 3.88Å; L176-V178 HydrophobicContact CG-CG1 4.11Å; L176-V178 PolarHBondContact O-N 2.69Å; L176-T181 PolarHBondContact O-OG1 2.89Å
177C84.2Confident84.1Confident16 Ų1650.4 Ų50.411%0.10827%0.269CS..  trans-77.9100.8173176.50000110.9C103 W107C103-C177 WeakPolarHBondContact CA-SG 3.23Å; C103-C177 HydrophobicContact CB-CB 3.69Å; C103-C177 WeakPolarHBondContact CB-SG 3.47Å; C103-C177 WeakPolarHBondContact SG-CA 3.42Å; C103-C177 WeakPolarHBondContact SG-CB 3.17Å; C103-C177 CovalentContact SG-SG 2.04Å; C103-C177 PolarHBondContact SG-SG 3.1Å; W107-C177 VanDerWaalsContact CD1-SG 3.55Å
178V81.9Confident83.6Confident26 Ų2645.7 Ų45.716%0.15824%0.241CC..  trans-124.1157.3168.3-64.80000108.4L176 L180 T181 A182L176-V178 HydrophobicContact CD2-CG1 3.88Å; L176-V178 HydrophobicContact CG-CG1 4.11Å; L176-V178 PolarHBondContact O-N 2.69Å; V178-L180 HydrophobicContact CG2-CB 4.39Å; V178-L180 PolarHBondContact O-N 2.67Å; V178-T181 HydrophobicContact CG2-CG2 3.61Å; V178-T181 VanDerWaalsContact CG2-OG1 3.26Å; V178-T181 WeakPolarHBondContact CG2-OG1 3.29Å; V178-T181 PolarHBondContact N-OG1 2.92Å; V178-T181 PolarHBondContact O-N 3.33Å; V178-T181 PolarHBondContact O-OG1 3.49Å; V178-A182 PolarHBondContact O-N 2.87Å; V178-A182 VanDerWaalsContact O-N 3.14Å
179L79.5Confident83.4Confident61 Ų6147.8 Ų47.832%0.31925%0.253SS..THydrogen-bonded Turntrans-52.8-36.1-177.3-17863.5000112.7W107 V111 T181 A182W107-L179 HydrophobicContact CB-CD1 4.35Å; W107-L179 HydrophobicContact CD2-CB 4.23Å; W107-L179 HydrophobicContact CD2-CD1 4.18Å; W107-L179 HydrophobicContact CE3-CB 4.36Å; W107-L179 HydrophobicContact CE3-CD1 4.14Å; W107-L179 HydrophobicContact CG-CD1 4.29Å; W107-L179 HydrophobicContact CH2-CB 4.37Å; W107-L179 HydrophobicContact CZ2-CB 4.23Å; W107-L179 HydrophobicContact CZ3-CB 4.43Å; V111-L179 HydrophobicContact CG2-CD1 3.58Å; L179-T181 PolarHBondContact O-N 3.41Å; L179-A182 PolarHBondContact O-N 3.46Å
180L79.4Confident83.3Confident44 Ų4448.8 Ų48.823%0.2326%0.264CS..THydrogen-bonded Turntrans-70-26.9179-169.663.9000113.9V178 L185 A188 M192V178-L180 HydrophobicContact CG2-CB 4.39Å; V178-L180 PolarHBondContact O-N 2.67Å; L180-L185 HydrophobicContact CD1-CD1 3.77Å; L180-L185 HydrophobicContact CG-CD1 4.35Å; L180-A188 HydrophobicContact CD1-CB 3.7Å; L180-M192 HydrophobicContact CD1-CE 4.34Å
181T82.5Confident83.1Confident42 Ų4247.8 Ų47.826%0.25826%0.255SS..THydrogen-bonded Turntrans-94.9-8.6179.755.40000112.5Q100 L176 V178 L179 V183Q100-T181 WeakPolarHBondContact CG-O 3.5Å; L176-T181 PolarHBondContact O-OG1 2.89Å; V178-T181 HydrophobicContact CG2-CG2 3.61Å; V178-T181 VanDerWaalsContact CG2-OG1 3.26Å; V178-T181 WeakPolarHBondContact CG2-OG1 3.29Å; V178-T181 PolarHBondContact N-OG1 2.92Å; V178-T181 PolarHBondContact O-N 3.33Å; V178-T181 PolarHBondContact O-OG1 3.49Å; L179-T181 PolarHBondContact O-N 3.41Å; T181-V183 PolarHBondContact O-N 3.48Å
182A82.2Confident83Confident3 Ų342.8 Ų42.83%0.02523%0.232CC..SBendtrans-69.9-20.817700000113.1C103 T169 V178 L179C103-A182 HydrophobicContact CB-CB 4.28Å; T169-A182 WeakPolarHBondContact CG2-O 3.21Å; V178-A182 PolarHBondContact O-N 2.87Å; V178-A182 VanDerWaalsContact O-N 3.14Å; L179-A182 PolarHBondContact O-N 3.46Å
183V84.4Confident83.1Confident8 Ų841.4 Ų41.45%0.04823%0.228CC..SBendtrans-141.2165.1-178.3-62.80000110.5T169 T181 A188 M191T169-V183 HydrophobicContact CG2-CG1 4.08Å; T181-V183 PolarHBondContact O-N 3.48Å; V183-A188 HydrophobicContact CG2-CB 3.83Å; V183-M191 HydrophobicContact CG2-CE 3.82Å
184E84.2Confident83.2Confident81 Ų8142.7 Ų42.738%0.37923%0.231SC..  trans-56.6139.7170.9-66.3174.2148.900112.2S168 H186 V187 A188S168-E184 PolarHBondContact O-N 3.03Å; E184-H186 VanDerWaalsContact C-N 3.29Å; E184-H186 PolarHBondContact O-N 3.05Å; E184-H186 IonicContact OE2-CE1 3.26Å; E184-H186 PolarHBondContact OE2-CE1 3.39Å; E184-H186 IonicContact OE2-ND1 3.8Å; E184-H186 IonicContact OE2-NE2 2.72Å; E184-V187 HydrophobicContact CB-CG2 4.32Å; E184-V187 WeakPolarHBondContact O-CB 3.46Å; E184-V187 PolarHBondContact O-N 2.83Å; E184-A188 PolarHBondContact O-N 3.34Å
185L81.4Confident83.3Confident97 Ų9743.3 Ų43.351%0.50823%0.234SC..Hα-helixtrans-56.7-39.6-172.6-179.863.2000113.3L180 V187 A188 V189L180-L185 HydrophobicContact CD1-CD1 3.77Å; L180-L185 HydrophobicContact CG-CD1 4.35Å; L185-V187 VanDerWaalsContact C-N 3.3Å; L185-V187 PolarHBondContact O-N 3.42Å; L185-A188 WeakPolarHBondContact O-CB 3.33Å; L185-A188 PolarHBondContact O-N 2.88Å; L185-V189 HydrophobicContact CD1-CG2 4.28Å; L185-V189 HydrophobicContact CG-CG2 4.48Å; L185-V189 VanDerWaalsContact O-CG2 3.29Å; L185-V189 WeakPolarHBondContact O-CG2 3.28Å; L185-V189 PolarHBondContact O-N 2.86Å
186H85.5Confident83.9Confident126 Ų12645.6 Ų45.658%0.58325%0.245SC*.Hα-helixtrans-66.1-34.9-179.267.6-90.6000111.9E184 A190E184-H186 VanDerWaalsContact C-N 3.29Å; E184-H186 PolarHBondContact O-N 3.05Å; E184-H186 IonicContact OE2-CE1 3.26Å; E184-H186 PolarHBondContact OE2-CE1 3.39Å; E184-H186 IonicContact OE2-ND1 3.8Å; E184-H186 IonicContact OE2-NE2 2.72Å; H186-A190 WeakPolarHBondContact O-CB 3.43Å; H186-A190 PolarHBondContact O-N 3.41Å
187V84.3Confident84.6Confident9 Ų949.7 Ų49.76%0.05527%0.266CS..Hα-helixtrans-71.2-45.2174.5-175.40000110.1R164 S168 E184 L185 V189 A190 M191R164-V187 HydrophobicContact CG-CG1 4.3Å; S168-V187 WeakPolarHBondContact OG-CG2 3.24Å; E184-V187 HydrophobicContact CB-CG2 4.32Å; E184-V187 WeakPolarHBondContact O-CB 3.46Å; E184-V187 PolarHBondContact O-N 2.83Å; L185-V187 VanDerWaalsContact C-N 3.3Å; L185-V187 PolarHBondContact O-N 3.42Å; V187-V189 VanDerWaalsContact C-N 3.29Å; V187-V189 PolarHBondContact O-N 3.48Å; V187-A190 PolarHBondContact O-N 3.25Å; V187-M191 HydrophobicContact CG1-CE 3.98Å; V187-M191 HydrophobicContact CG1-CG 4.45Å; V187-M191 HydrophobicContact CG1-SD 3.91Å; V187-M191 WeakPolarHBondContact O-CE 3.23Å; V187-M191 WeakPolarHBondContact O-CG 3.26Å; V187-M191 PolarHBondContact O-N 3.07Å
188A81.9Confident85Confident7 Ų750.4 Ų50.46%0.05827%0.268CS..Hα-helixtrans-53.2-46.4173.700000112.3L180 V183 E184 L185 M191 M192L180-A188 HydrophobicContact CD1-CB 3.7Å; V183-A188 HydrophobicContact CG2-CB 3.83Å; E184-A188 PolarHBondContact O-N 3.34Å; L185-A188 WeakPolarHBondContact O-CB 3.33Å; L185-A188 PolarHBondContact O-N 2.88Å; A188-M191 PolarHBondContact O-N 3.47Å; A188-M192 WeakPolarHBondContact O-CG 3.39Å; A188-M192 PolarHBondContact O-N 3.22Å
189V84.1Confident85.6Confident63 Ų6349.6 Ų49.638%0.38226%0.263SS..Hα-helixtrans-65.3-45.2178.2171.40000111.5L185 V187 M191 M192 I193L185-V189 HydrophobicContact CD1-CG2 4.28Å; L185-V189 HydrophobicContact CG-CG2 4.48Å; L185-V189 VanDerWaalsContact O-CG2 3.29Å; L185-V189 WeakPolarHBondContact O-CG2 3.28Å; L185-V189 PolarHBondContact O-N 2.86Å; V187-V189 VanDerWaalsContact C-N 3.29Å; V187-V189 PolarHBondContact O-N 3.48Å; V189-M191 PolarHBondContact O-N 2.9Å; V189-M192 HydrophobicContact CG2-CE 4.12Å; V189-M192 PolarHBondContact O-N 2.73Å; V189-I193 HydrophobicContact CG1-CD1 3.84Å; V189-I193 HydrophobicContact CG1-CG1 4.5Å; V189-I193 WeakPolarHBondContact O-CG1 3.36Å; V189-I193 PolarHBondContact O-N 2.92Å
190A86Confident86.2Confident45 Ų4550.4 Ų50.437%0.37227%0.271SS..Hα-helixtrans-57.6-40177.300000111.9H186 V187 I193 E194H186-A190 WeakPolarHBondContact O-CB 3.43Å; H186-A190 PolarHBondContact O-N 3.41Å; V187-A190 PolarHBondContact O-N 3.25Å; A190-I193 PolarHBondContact O-N 2.89Å; A190-E194 WeakPolarHBondContact O-CB 3.4Å; A190-E194 PolarHBondContact O-N 3.42Å
191M83.6Confident87Confident12 Ų1249.9 Ų49.96%0.05927%0.272CS..Hα-helixtrans-70.6-41.9178.9-66.4-179.6-49.100112.7H165 V183 V187 A188 V189 I193 E194 F195H165-M191 WeakPolarHBondContact CE1-CE 3.28Å; H165-M191 PolarHBondContact CE1-SD 2.88Å; H165-M191 WeakPolarHBondContact ND1-CE 3.38Å; H165-M191 PolarHBondContact ND1-SD 3.25Å; H165-M191 VanDerWaalsContact ND1-SD 3.44Å; H165-M191 PolarHBondContact NE2-SD 3Å; V183-M191 HydrophobicContact CG2-CE 3.82Å; V187-M191 HydrophobicContact CG1-CE 3.98Å; V187-M191 HydrophobicContact CG1-CG 4.45Å; V187-M191 HydrophobicContact CG1-SD 3.91Å; V187-M191 WeakPolarHBondContact O-CE 3.23Å; V187-M191 WeakPolarHBondContact O-CG 3.26Å; V187-M191 PolarHBondContact O-N 3.07Å; A188-M191 PolarHBondContact O-N 3.47Å; V189-M191 PolarHBondContact O-N 2.9Å; M191-I193 VanDerWaalsContact C-N 3.26Å; M191-I193 PolarHBondContact O-N 2.84Å; M191-E194 PolarHBondContact O-N 3.04Å; M191-F195 HydrophobicContact CB-CE2 4.35Å; M191-F195 VanDerWaalsContact O-CD2 3.28Å; M191-F195 WeakPolarHBondContact O-CD2 3.49Å; M191-F195 WeakPolarHBondContact O-CG 3.4Å; M191-F195 PolarHBondContact O-N 3.4Å
192M85.2Confident87.7Confident51 Ų5148 Ų4825%0.25126%0.261SS..Hα-helixtrans-59.4-40.8173.2-74.6-172.3-75.900111.3L180 A188 V189 N196L180-M192 HydrophobicContact CD1-CE 4.34Å; A188-M192 WeakPolarHBondContact O-CG 3.39Å; A188-M192 PolarHBondContact O-N 3.22Å; V189-M192 HydrophobicContact CG2-CE 4.12Å; V189-M192 PolarHBondContact O-N 2.73Å; M192-N196 VanDerWaalsContact O-CB 3.24Å; M192-N196 WeakPolarHBondContact O-CB 3.43Å; M192-N196 PolarHBondContact O-N 2.93Å; M192-N196 PolarHBondContact O-ND2 3.12Å
193I87.8Confident88.3Confident94 Ų9449.7 Ų49.748%0.48227%0.269SS..Hα-helixtrans-63.2-48.1175.3-68.4165.3000110.7V189 A190 M191 N196 I197V189-I193 HydrophobicContact CG1-CD1 3.84Å; V189-I193 HydrophobicContact CG1-CG1 4.5Å; V189-I193 WeakPolarHBondContact O-CG1 3.36Å; V189-I193 PolarHBondContact O-N 2.92Å; A190-I193 PolarHBondContact O-N 2.89Å; M191-I193 VanDerWaalsContact C-N 3.26Å; M191-I193 PolarHBondContact O-N 2.84Å; I193-N196 PolarHBondContact O-N 3.19Å; I193-I197 HydrophobicContact CG2-CD1 3.73Å; I193-I197 HydrophobicContact CG2-CG1 4.4Å; I193-I197 VanDerWaalsContact O-CG1 3.28Å; I193-I197 WeakPolarHBondContact O-CG1 3.29Å; I193-I197 PolarHBondContact O-N 3.2Å
194E88.5Confident88.9Confident53 Ų5354.5 Ų54.525%0.24829%0.294CS..Hα-helixtrans-56.9-51.1178.2179.6168.2-158.100112H157 R164 A190 M191 N196 I197 I198H157-E194 IonicContact CD2-OE1 3.54Å; H157-E194 IonicContact NE2-OE1 3.89Å; H157-E194 PolarHBondContact NE2-OE1 3.17Å; R164-E194 IonicContact CZ-OE2 3.94Å; R164-E194 VanDerWaalsContact CZ-OE2 3.26Å; R164-E194 IonicContact NH1-OE2 3.9Å; R164-E194 PolarHBondContact NH1-OE2 3.04Å; R164-E194 IonicContact NH2-OE2 3.85Å; R164-E194 PolarHBondContact NH2-OE2 3.09Å; A190-E194 WeakPolarHBondContact O-CB 3.4Å; A190-E194 PolarHBondContact O-N 3.42Å; M191-E194 PolarHBondContact O-N 3.04Å; E194-N196 PolarHBondContact O-N 3.44Å; E194-I197 PolarHBondContact O-N 3.13Å; E194-I198 HydrophobicContact CG-CD1 4.13Å; E194-I198 WeakPolarHBondContact O-CG1 3.42Å; E194-I198 PolarHBondContact O-N 2.87Å
195F87.4Confident89.6Confident23 Ų2352.6 Ų52.610%0.10129%0.286CS..Hα-helixtrans-61.1-43.8176.8-65.6-34.2000112.3E115 I118 M191 I197 I198 V199 M253E115-F195 HydrophobicContact CG-CE1 3.8Å; E115-F195 HydrophobicContact CG-CZ 3.68Å; I118-F195 HydrophobicContact CD1-CB 4.11Å; I118-F195 HydrophobicContact CD1-CD1 3.73Å; I118-F195 HydrophobicContact CD1-CE1 4.32Å; I118-F195 HydrophobicContact CD1-CG 3.9Å; M191-F195 HydrophobicContact CB-CE2 4.35Å; M191-F195 VanDerWaalsContact O-CD2 3.28Å; M191-F195 WeakPolarHBondContact O-CD2 3.49Å; M191-F195 WeakPolarHBondContact O-CG 3.4Å; M191-F195 PolarHBondContact O-N 3.4Å; F195-I197 VanDerWaalsContact C-N 3.3Å; F195-I197 PolarHBondContact O-N 3.41Å; F195-I198 PolarHBondContact O-N 2.77Å; F195-V199 WeakPolarHBondContact O-CB 3.41Å; F195-V199 VanDerWaalsContact O-CG2 3.24Å; F195-V199 WeakPolarHBondContact O-CG2 3.46Å; F195-V199 PolarHBondContact O-N 3.39Å; F195-M253 HydrophobicContact CB-CE 4.09Å; F195-M253 HydrophobicContact CD2-CE 4.04Å; F195-M253 HydrophobicContact CG-CE 4.27Å
196N89.9Confident90.3Very high74 Ų7448.2 Ų48.240%0.39626%0.263SS..Hα-helixtrans-62.3-38.1178.2-74.7-25000111.9M192 I193 E194 T200M192-N196 VanDerWaalsContact O-CB 3.24Å; M192-N196 WeakPolarHBondContact O-CB 3.43Å; M192-N196 PolarHBondContact O-N 2.93Å; M192-N196 PolarHBondContact O-ND2 3.12Å; I193-N196 PolarHBondContact O-N 3.19Å; E194-N196 PolarHBondContact O-N 3.44Å; N196-T200 WeakPolarHBondContact O-CB 3.48Å; N196-T200 PolarHBondContact O-N 3.47Å; N196-T200 PolarHBondContact O-OG1 2.83Å
197I93Very high90.8Very high109 Ų10947 Ų4756%0.55926%0.26SS*.Hα-helixtrans-64.8-49.7175.9-70.7168.4000110.4I193 E194 F195 V199 T200 A201I193-I197 HydrophobicContact CG2-CD1 3.73Å; I193-I197 HydrophobicContact CG2-CG1 4.4Å; I193-I197 VanDerWaalsContact O-CG1 3.28Å; I193-I197 WeakPolarHBondContact O-CG1 3.29Å; I193-I197 PolarHBondContact O-N 3.2Å; E194-I197 PolarHBondContact O-N 3.13Å; F195-I197 VanDerWaalsContact C-N 3.3Å; F195-I197 PolarHBondContact O-N 3.41Å; I197-V199 PolarHBondContact O-N 3.4Å; I197-T200 PolarHBondContact O-N 3.45Å; I197-A201 WeakPolarHBondContact O-CB 3.31Å; I197-A201 PolarHBondContact O-N 3.16Å
198I93.4Very high91.4Very high30 Ų3051.4 Ų51.415%0.15428%0.278CS..Hα-helixtrans-62.6-44.7-178.5-63.5167.8000110.7I118 F122 E194 F195 A201 T202I118-I198 HydrophobicContact CG2-CB 4.01Å; I118-I198 HydrophobicContact CG2-CG2 3.51Å; F122-I198 HydrophobicContact CB-CG2 3.85Å; F122-I198 HydrophobicContact CD2-CG2 4.31Å; F122-I198 HydrophobicContact CG-CG2 4.1Å; E194-I198 HydrophobicContact CG-CD1 4.13Å; E194-I198 WeakPolarHBondContact O-CG1 3.42Å; E194-I198 PolarHBondContact O-N 2.87Å; F195-I198 PolarHBondContact O-N 2.77Å; I198-A201 PolarHBondContact O-N 3.42Å; I198-T202 WeakPolarHBondContact O-CB 3.49Å; I198-T202 PolarHBondContact O-N 3.38Å; I198-T202 PolarHBondContact O-OG1 2.87Å
199V92.6Very high92Very high10 Ų1051.1 Ų51.16%0.06128%0.276CS..Hα-helixtrans-64.2-44.7178.2170.10000111.2I118 F195 I197 A201 T202 L203 T250I118-V199 HydrophobicContact CD1-CG2 4.48Å; I118-V199 HydrophobicContact CG1-CG2 4.25Å; I118-V199 HydrophobicContact CG2-CG2 4.17Å; F195-V199 WeakPolarHBondContact O-CB 3.41Å; F195-V199 VanDerWaalsContact O-CG2 3.24Å; F195-V199 WeakPolarHBondContact O-CG2 3.46Å; F195-V199 PolarHBondContact O-N 3.39Å; I197-V199 PolarHBondContact O-N 3.4Å; V199-A201 PolarHBondContact O-N 2.8Å; V199-T202 WeakPolarHBondContact O-CB 3.35Å; V199-T202 PolarHBondContact O-N 3.21Å; V199-L203 HydrophobicContact CG1-CD1 4.36Å; V199-L203 WeakPolarHBondContact O-CG 3.47Å; V199-L203 PolarHBondContact O-N 2.89Å; V199-T250 HydrophobicContact CG1-CG2 3.51Å; V199-T250 WeakPolarHBondContact CG1-OG1 3.44Å
200T93.8Very high92.5Very high78 Ų7850.2 Ų50.248%0.47927%0.268SS..Hα-helixtrans-61.2-46.4176.8-61.10000111N196 I197 T202 L203 L204N196-T200 WeakPolarHBondContact O-CB 3.48Å; N196-T200 PolarHBondContact O-N 3.47Å; N196-T200 PolarHBondContact O-OG1 2.83Å; I197-T200 PolarHBondContact O-N 3.45Å; T200-T202 VanDerWaalsContact C-N 3.31Å; T200-T202 PolarHBondContact O-N 3.46Å; T200-L203 PolarHBondContact O-N 3.34Å; T200-L204 HydrophobicContact CG2-CD1 4.17Å; T200-L204 HydrophobicContact CG2-CG 4.47Å; T200-L204 WeakPolarHBondContact O-CG 3.43Å; T200-L204 PolarHBondContact O-N 3.22Å
201A96.2Very high93Very high32 Ų3252.4 Ų52.426%0.26428%0.277SS..Hα-helixtrans-59.3-42.8175.600000111.5F122 I197 I198 V199 L203 L204 I205F122-A201 HydrophobicContact CE2-CB 4.26Å; I197-A201 WeakPolarHBondContact O-CB 3.31Å; I197-A201 PolarHBondContact O-N 3.16Å; I198-A201 PolarHBondContact O-N 3.42Å; V199-A201 PolarHBondContact O-N 2.8Å; A201-L203 PolarHBondContact O-N 3.27Å; A201-L204 PolarHBondContact O-N 3.14Å; A201-I205 VanDerWaalsContact O-CG1 3.27Å; A201-I205 WeakPolarHBondContact O-CG1 3.43Å; A201-I205 PolarHBondContact O-N 3.01Å
202T96.4Very high93.5Very high2 Ų256.3 Ų56.31%0.01229%0.291CS..Hα-helixtrans-58.7-47.9176.4-58.40000111.6F122 A125 I198 V199 T200 I205 Y206 V246F122-T202 WeakPolarHBondContact CA-OG1 3.42Å; F122-T202 WeakPolarHBondContact CB-OG1 3.24Å; F122-T202 WeakPolarHBondContact CD2-OG1 3.29Å; A125-T202 HydrophobicContact CB-CG2 4.11Å; I198-T202 WeakPolarHBondContact O-CB 3.49Å; I198-T202 PolarHBondContact O-N 3.38Å; I198-T202 PolarHBondContact O-OG1 2.87Å; V199-T202 WeakPolarHBondContact O-CB 3.35Å; V199-T202 PolarHBondContact O-N 3.21Å; T200-T202 VanDerWaalsContact C-N 3.31Å; T200-T202 PolarHBondContact O-N 3.46Å; T202-I205 PolarHBondContact O-N 3.45Å; T202-Y206 HydrophobicContact CG2-CD2 3.83Å; T202-Y206 HydrophobicContact CG2-CE2 3.57Å; T202-Y206 VanDerWaalsContact O-CD2 3.22Å; T202-Y206 WeakPolarHBondContact O-CD2 3.39Å; T202-Y206 PolarHBondContact O-N 2.92Å; T202-V246 HydrophobicContact CG2-CG1 3.97Å; T202-V246 HydrophobicContact CG2-CG2 4.11Å
203L95.6Very high93.8Very high40 Ų4054.6 Ų54.621%0.20929%0.285CS..Hα-helixtrans-62.8-44177.6-73174.6000112V199 T200 A201 I205 Y206 I207 V246 V247 T250V199-L203 HydrophobicContact CG1-CD1 4.36Å; V199-L203 WeakPolarHBondContact O-CG 3.47Å; V199-L203 PolarHBondContact O-N 2.89Å; T200-L203 PolarHBondContact O-N 3.34Å; A201-L203 PolarHBondContact O-N 3.27Å; L203-I205 PolarHBondContact O-N 2.86Å; L203-Y206 PolarHBondContact O-N 2.88Å; L203-I207 VanDerWaalsContact O-CG1 3.28Å; L203-I207 WeakPolarHBondContact O-CG1 3.45Å; L203-I207 PolarHBondContact O-N 2.93Å; L203-V246 HydrophobicContact CD2-CB 4.43Å; L203-V246 HydrophobicContact CD2-CG1 3.78Å; L203-V246 HydrophobicContact CG-CG1 4.18Å; L203-V247 HydrophobicContact CD2-CG2 3.64Å; L203-T250 HydrophobicContact CD1-CG2 4.14Å
204L97Very high94Very high109 Ų10955.3 Ų55.357%0.57129%0.285SS*.Hα-helixtrans-61-43177.1-70.5175.5000111.9T200 A201 Y206 I207 F208T200-L204 HydrophobicContact CG2-CD1 4.17Å; T200-L204 HydrophobicContact CG2-CG 4.47Å; T200-L204 WeakPolarHBondContact O-CG 3.43Å; T200-L204 PolarHBondContact O-N 3.22Å; A201-L204 PolarHBondContact O-N 3.14Å; L204-Y206 PolarHBondContact O-N 3.31Å; L204-I207 PolarHBondContact O-N 2.93Å; L204-F208 WeakPolarHBondContact O-CB 3.48Å; L204-F208 PolarHBondContact O-N 2.69Å
205I97Very high94.2Very high41 Ų4159.5 Ų59.521%0.2130%0.298CS..Hα-helixtrans-60.2-46.3174.7-67.6165.5000110.2F122 A125 C129 A201 T202 L203 F208 L209F122-I205 HydrophobicContact CD2-CD1 4.33Å; F122-I205 HydrophobicContact CE2-CD1 3.82Å; A125-I205 HydrophobicContact CB-CB 4.17Å; A125-I205 HydrophobicContact CB-CG2 3.74Å; C129-I205 HydrophobicContact CB-CG2 4.25Å; A201-I205 VanDerWaalsContact O-CG1 3.27Å; A201-I205 WeakPolarHBondContact O-CG1 3.43Å; A201-I205 PolarHBondContact O-N 3.01Å; T202-I205 PolarHBondContact O-N 3.45Å; L203-I205 PolarHBondContact O-N 2.86Å; I205-F208 PolarHBondContact O-N 3.48Å; I205-L209 HydrophobicContact CG2-CD1 3.89Å; I205-L209 HydrophobicContact CG2-CG 4.33Å; I205-L209 WeakPolarHBondContact O-CB 3.46Å; I205-L209 VanDerWaalsContact O-CG 3.28Å; I205-L209 WeakPolarHBondContact O-CG 3.22Å; I205-L209 PolarHBondContact O-N 3.06Å
206Y97.2Very high94.4Very high4 Ų459.7 Ų59.72%0.01630%0.303CS..Hα-helixtrans-63.7-43178.1-82.3-57.8000112.8A125 T202 L203 L204 F208 L209 I210 I239 F242 A243 V246A125-Y206 HydrophobicContact CB-CD2 4.09Å; A125-Y206 HydrophobicContact CB-CE1 4.13Å; A125-Y206 HydrophobicContact CB-CE2 3.61Å; A125-Y206 PolarHBondContact N-OH 2.89Å; T202-Y206 HydrophobicContact CG2-CD2 3.83Å; T202-Y206 HydrophobicContact CG2-CE2 3.57Å; T202-Y206 VanDerWaalsContact O-CD2 3.22Å; T202-Y206 WeakPolarHBondContact O-CD2 3.39Å; T202-Y206 PolarHBondContact O-N 2.92Å; L203-Y206 PolarHBondContact O-N 2.88Å; L204-Y206 PolarHBondContact O-N 3.31Å; Y206-F208 VanDerWaalsContact C-N 3.34Å; Y206-F208 PolarHBondContact O-N 2.79Å; Y206-L209 PolarHBondContact O-N 2.91Å; Y206-I210 WeakPolarHBondContact O-CB 3.45Å; Y206-I210 WeakPolarHBondContact O-CG1 3.34Å; Y206-I210 PolarHBondContact O-N 3.23Å; Y206-I239 HydrophobicContact CD1-CG2 4.08Å; Y206-F242 HydrophobicContact CE1-CB 3.73Å; Y206-F242 WeakPolarHBondContact OH-CB 3.43Å; Y206-A243 HydrophobicContact CD1-CB 3.97Å; Y206-A243 HydrophobicContact CD2-CB 4.38Å; Y206-A243 HydrophobicContact CG-CB 3.78Å; Y206-V246 HydrophobicContact CD2-CG2 4.32Å; Y206-V246 HydrophobicContact CE2-CB 4.39Å; Y206-V246 HydrophobicContact CE2-CG2 3.7Å
207I96.2Very high94.3Very high100 Ų10057.8 Ų57.851%0.51329%0.292SS..Hα-helixtrans-58.1-49.6176.2-70.4165.4000109.7L203 L204 L209 I210 V211L203-I207 VanDerWaalsContact O-CG1 3.28Å; L203-I207 WeakPolarHBondContact O-CG1 3.45Å; L203-I207 PolarHBondContact O-N 2.93Å; L204-I207 PolarHBondContact O-N 2.93Å; I207-L209 PolarHBondContact O-N 3.39Å; I207-I210 PolarHBondContact O-N 3.29Å; I207-V211 HydrophobicContact CG2-CG2 4.47Å; I207-V211 WeakPolarHBondContact O-CG2 3.46Å; I207-V211 PolarHBondContact O-N 3.44Å
208F96.8Very high94.2Very high102 Ų10260.2 Ų60.245%0.44730%0.295SS..Hα-helixtrans-57.6-47.3177174.3-114.2000112F133 L204 I205 Y206 I210 V211 W212F133-F208 HydrophobicContact CD2-CE1 4.44Å; F133-F208 HydrophobicContact CE1-CE1 4.26Å; F133-F208 HydrophobicContact CE1-CZ 4.14Å; F133-F208 HydrophobicContact CE2-CD1 4.15Å; F133-F208 AromaticContact CE2-CE1 3.3Å; F133-F208 HydrophobicContact CE2-CE1 3.3Å; F133-F208 HydrophobicContact CE2-CZ 4.01Å; F133-F208 HydrophobicContact CZ-CD1 4.22Å; F133-F208 AromaticContact CZ-CE1 3.18Å; F133-F208 HydrophobicContact CZ-CE1 3.18Å; F133-F208 AromaticContact CZ-CZ 3.4Å; F133-F208 HydrophobicContact CZ-CZ 3.4Å; F133-F208 VanDerWaalsContact CZ-CZ 3.4Å; L204-F208 WeakPolarHBondContact O-CB 3.48Å; L204-F208 PolarHBondContact O-N 2.69Å; I205-F208 PolarHBondContact O-N 3.48Å; Y206-F208 VanDerWaalsContact C-N 3.34Å; Y206-F208 PolarHBondContact O-N 2.79Å; F208-I210 VanDerWaalsContact C-N 3.34Å; F208-I210 PolarHBondContact O-N 2.97Å; F208-V211 PolarHBondContact O-N 3.03Å; F208-W212 HydrophobicContact CZ-CE3 4.45Å; F208-W212 VanDerWaalsContact O-CB 3.28Å; F208-W212 WeakPolarHBondContact O-CB 3.31Å; F208-W212 PolarHBondContact O-N 3.21Å
209L95.2Very high94Very high1 Ų164.1 Ų64.11%0.00531%0.31CS..Hα-helixtrans-63.4-38.1178-71.1173.7000112.8R128 C129 V132 F133 I205 Y206 I207 A213 I239R128-L209 HydrophobicContact CB-CD1 3.98Å; C129-L209 HydrophobicContact CB-CD1 4.22Å; C129-L209 HydrophobicContact CB-CD2 4.11Å; V132-L209 HydrophobicContact CB-CD2 4.37Å; V132-L209 HydrophobicContact CG2-CD2 4.37Å; F133-L209 HydrophobicContact CE2-CD2 3.98Å; I205-L209 HydrophobicContact CG2-CD1 3.89Å; I205-L209 HydrophobicContact CG2-CG 4.33Å; I205-L209 WeakPolarHBondContact O-CB 3.46Å; I205-L209 VanDerWaalsContact O-CG 3.28Å; I205-L209 WeakPolarHBondContact O-CG 3.22Å; I205-L209 PolarHBondContact O-N 3.06Å; Y206-L209 PolarHBondContact O-N 2.91Å; I207-L209 PolarHBondContact O-N 3.39Å; L209-A213 WeakPolarHBondContact O-CB 3.41Å; L209-A213 PolarHBondContact O-N 2.97Å; L209-I239 HydrophobicContact CB-CG2 3.98Å
210I94.6Very high93.8Very high44 Ų4464.5 Ų64.523%0.22631%0.313CS..Hα-helixtrans-66.9-47.3177.8-71.8166.9000110.4Y206 I207 F208 A213 K214 I239 V240 A243Y206-I210 WeakPolarHBondContact O-CB 3.45Å; Y206-I210 WeakPolarHBondContact O-CG1 3.34Å; Y206-I210 PolarHBondContact O-N 3.23Å; I207-I210 PolarHBondContact O-N 3.29Å; F208-I210 VanDerWaalsContact C-N 3.34Å; F208-I210 PolarHBondContact O-N 2.97Å; I210-A213 PolarHBondContact O-N 3.29Å; I210-K214 VanDerWaalsContact O-CB 3.28Å; I210-K214 WeakPolarHBondContact O-CB 3.26Å; I210-K214 PolarHBondContact O-N 2.96Å; I210-I239 HydrophobicContact CG1-CG2 3.91Å; I210-V240 HydrophobicContact CD1-CG2 4.2Å; I210-V240 HydrophobicContact CG1-CG2 4.06Å; I210-A243 HydrophobicContact CD1-CB 3.68Å
211V95.3Very high93.5Very high92 Ų9263.4 Ų63.456%0.55831%0.311SS*.Hα-helixtrans-60.7-49.1177.7172.10000110I207 F208 K214 W215I207-V211 HydrophobicContact CG2-CG2 4.47Å; I207-V211 WeakPolarHBondContact O-CG2 3.46Å; I207-V211 PolarHBondContact O-N 3.44Å; F208-V211 PolarHBondContact O-N 3.03Å; V211-K214 PolarHBondContact O-N 3.31Å; V211-W215 PolarHBondContact O-N 2.95Å
212W94.4Very high93.1Very high93 Ų9366.5 Ų66.535%0.35233%0.331SS..Hα-helixtrans-60.8-48.5178-176.6-89.6000112.2F133 F208 K214 W215 S216F133-W212 HydrophobicContact CD1-CZ2 4.35Å; F133-W212 AromaticContact CE1-CD2 3.73Å; F133-W212 HydrophobicContact CE1-CD2 3.73Å; F133-W212 AromaticContact CE1-CE2 3.53Å; F133-W212 HydrophobicContact CE1-CE3 4.02Å; F133-W212 HydrophobicContact CE1-CG 4.29Å; F133-W212 AromaticContact CE1-CH2 3.97Å; F133-W212 HydrophobicContact CE1-CH2 3.97Å; F133-W212 AromaticContact CE1-CZ2 3.68Å; F133-W212 HydrophobicContact CE1-CZ2 3.68Å; F133-W212 HydrophobicContact CE1-CZ3 4.13Å; F133-W212 AromaticContact CE1-NE1 3.94Å; F133-W212 AromaticContact CZ-CD2 3.85Å; F133-W212 HydrophobicContact CZ-CD2 3.85Å; F133-W212 HydrophobicContact CZ-CE3 4.22Å; F133-W212 AromaticContact CZ-CG 3.99Å; F133-W212 HydrophobicContact CZ-CG 3.99Å; F208-W212 HydrophobicContact CZ-CE3 4.45Å; F208-W212 VanDerWaalsContact O-CB 3.28Å; F208-W212 WeakPolarHBondContact O-CB 3.31Å; F208-W212 PolarHBondContact O-N 3.21Å; W212-K214 VanDerWaalsContact C-N 3.32Å; W212-K214 PolarHBondContact O-N 3.42Å; W212-W215 HydrophobicContact CE3-CE3 4.41Å; W212-W215 HydrophobicContact CH2-CZ3 4.11Å; W212-W215 HydrophobicContact CZ3-CE3 4.46Å; W212-W215 HydrophobicContact CZ3-CZ3 4.11Å; W212-W215 PolarHBondContact O-N 2.85Å; W212-S216 VanDerWaalsContact O-CB 3.24Å; W212-S216 WeakPolarHBondContact O-CB 3.4Å; W212-S216 PolarHBondContact O-N 2.89Å
213A91.6Very high92.8Very high16 Ų1673.1 Ų73.113%0.13236%0.362CS..Hα-helixtrans-62.2-39.9179.400000111.6L209 I210 S216 I217 W236L209-A213 WeakPolarHBondContact O-CB 3.41Å; L209-A213 PolarHBondContact O-N 2.97Å; I210-A213 PolarHBondContact O-N 3.29Å; A213-S216 PolarHBondContact O-N 2.91Å; A213-I217 WeakPolarHBondContact O-CD1 3.38Å; A213-I217 VanDerWaalsContact O-CG1 3.23Å; A213-I217 WeakPolarHBondContact O-CG1 3.49Å; A213-I217 PolarHBondContact O-N 3.42Å; A213-W236 HydrophobicContact CB-CB 4.32Å; A213-W236 HydrophobicContact CB-CG 4.44Å
214K92.1Very high92Very high108 Ų10874 Ų7447%0.4738%0.381SS..Hα-helixtrans-62.6-46.1175.3-172.6176.4-176.5178.60111.4I210 V211 W212 I217 R218I210-K214 VanDerWaalsContact O-CB 3.28Å; I210-K214 WeakPolarHBondContact O-CB 3.26Å; I210-K214 PolarHBondContact O-N 2.96Å; V211-K214 PolarHBondContact O-N 3.31Å; W212-K214 VanDerWaalsContact C-N 3.32Å; W212-K214 PolarHBondContact O-N 3.42Å; K214-I217 PolarHBondContact O-N 2.92Å; K214-R218 WeakPolarHBondContact O-CG 3.32Å; K214-R218 PolarHBondContact O-N 2.99Å; K214-R218 VanDerWaalsContact O-N 3.11Å
215W93Very high91.3Very high141 Ų14170 Ų7053%0.53437%0.366SS..Hα-helixtrans-62.3-44175.3-176.961.7000111.9V211 W212 I217 R218 K219V211-W215 PolarHBondContact O-N 2.95Å; W212-W215 HydrophobicContact CE3-CE3 4.41Å; W212-W215 HydrophobicContact CH2-CZ3 4.11Å; W212-W215 HydrophobicContact CZ3-CE3 4.46Å; W212-W215 HydrophobicContact CZ3-CZ3 4.11Å; W212-W215 PolarHBondContact O-N 2.85Å; W215-I217 VanDerWaalsContact C-N 3.32Å; W215-I217 PolarHBondContact O-N 3.37Å; W215-R218 PolarHBondContact O-N 3.47Å; W215-K219 PolarHBondContact O-N 3.45Å
216S90.5Very high90.6Very high28 Ų2874.5 Ų74.520%0.19639%0.39CS..Hα-helixtrans-64.4-32178.9-162.30000113.6W212 A213 V220 K232W212-S216 VanDerWaalsContact O-CB 3.24Å; W212-S216 WeakPolarHBondContact O-CB 3.4Å; W212-S216 PolarHBondContact O-N 2.89Å; A213-S216 PolarHBondContact O-N 2.91Å; S216-V220 WeakPolarHBondContact O-CG2 3.35Å; S216-V220 PolarHBondContact O-N 3.26Å; S216-K232 PolarHBondContact O-NZ 3.03Å; S216-K232 PolarHBondContact OG-NZ 3.46Å
217I89.3Confident89.9Confident34 Ų3477.8 Ų77.817%0.17442%0.418CS..Hα-helixtrans-70.4-47.9172.8-71.1162.9000110.1A213 K214 W215 K219 V220 A221 K232 W236A213-I217 WeakPolarHBondContact O-CD1 3.38Å; A213-I217 VanDerWaalsContact O-CG1 3.23Å; A213-I217 WeakPolarHBondContact O-CG1 3.49Å; A213-I217 PolarHBondContact O-N 3.42Å; K214-I217 PolarHBondContact O-N 2.92Å; W215-I217 VanDerWaalsContact C-N 3.32Å; W215-I217 PolarHBondContact O-N 3.37Å; I217-K219 VanDerWaalsContact C-N 3.33Å; I217-K219 PolarHBondContact O-N 2.74Å; I217-V220 PolarHBondContact O-N 3.49Å; I217-A221 WeakPolarHBondContact O-CB 3.49Å; I217-A221 PolarHBondContact O-N 3.18Å; I217-K232 HydrophobicContact CD1-CB 4.42Å; I217-K232 HydrophobicContact CG1-CB 3.66Å; I217-W236 HydrophobicContact CD1-CB 3.68Å; I217-W236 HydrophobicContact CD1-CG 3.98Å
218R89.9Confident89.3Confident160 Ų16075.3 Ų75.360%0.60441%0.413SS*.Hα-helixtrans-57.3-45.9178.5-73.3176.7177-178.5-5.3111.7K214 W215 V220 A221 S222K214-R218 WeakPolarHBondContact O-CG 3.32Å; K214-R218 PolarHBondContact O-N 2.99Å; K214-R218 VanDerWaalsContact O-N 3.11Å; W215-R218 PolarHBondContact O-N 3.47Å; R218-V220 VanDerWaalsContact C-N 3.32Å; R218-V220 PolarHBondContact O-N 3.14Å; R218-A221 PolarHBondContact O-N 3.23Å; R218-S222 PolarHBondContact O-N 3.14Å; R218-S222 PolarHBondContact O-OG 3.49Å
219K90.2Very high88.6Confident112 Ų11271.1 Ų71.149%0.48740%0.397SS..Hα-helixtrans-61.4-35.2178.1-174.3174.7-179.5175.60113.5W215 I217 S222 Q223W215-K219 PolarHBondContact O-N 3.45Å; I217-K219 VanDerWaalsContact C-N 3.33Å; I217-K219 PolarHBondContact O-N 2.74Å; K219-S222 PolarHBondContact O-OG 3.3Å; K219-Q223 WeakPolarHBondContact O-CG 3.46Å
220V88.6Confident88.2Confident18 Ų1877.9 Ų77.911%0.10943%0.426CS..Hα-helixtrans-79.6-35.5177.71710000111.8S216 I217 R218 S222 Q223 G225 A228 A229 K232S216-V220 WeakPolarHBondContact O-CG2 3.35Å; S216-V220 PolarHBondContact O-N 3.26Å; I217-V220 PolarHBondContact O-N 3.49Å; R218-V220 VanDerWaalsContact C-N 3.32Å; R218-V220 PolarHBondContact O-N 3.14Å; V220-S222 VanDerWaalsContact C-N 3.31Å; V220-Q223 PolarHBondContact O-N 2.96Å; V220-Q223 VanDerWaalsContact O-N 3.17Å; V220-G225 PolarHBondContact O-N 3.11Å; V220-A228 HydrophobicContact CG1-CB 3.79Å; V220-A229 HydrophobicContact CG1-CB 4.16Å; V220-K232 HydrophobicContact CG2-CD 4.13Å
221A86.2Confident87.8Confident54 Ų5485.1 Ų85.145%0.44645%0.451SS..Hα-helixtrans-62.8-40.2174.900000111.2I217 R218 Q223 G224I217-A221 WeakPolarHBondContact O-CB 3.49Å; I217-A221 PolarHBondContact O-N 3.18Å; R218-A221 PolarHBondContact O-N 3.23Å; A221-Q223 PolarHBondContact O-N 3.38Å; A221-G224 PolarHBondContact O-N 3.23Å
222S88.7Confident87.3Confident98 Ų9884 Ų8469%0.68544%0.438SS*.THydrogen-bonded Turntrans-66.8-19.6175.561.50000113.9R218 K219 V220R218-S222 PolarHBondContact O-N 3.14Å; R218-S222 PolarHBondContact O-OG 3.49Å; K219-S222 PolarHBondContact O-OG 3.3Å; V220-S222 VanDerWaalsContact C-N 3.31Å
223Q89.1Confident87.1Confident141 Ų14183.7 Ų83.766%0.65944%0.441SS*.THydrogen-bonded Turntrans-92.37.6176.9-69.7177.7-27.100113.2K219 V220 A221 G225K219-Q223 WeakPolarHBondContact O-CG 3.46Å; V220-Q223 PolarHBondContact O-N 2.96Å; V220-Q223 VanDerWaalsContact O-N 3.17Å; A221-Q223 PolarHBondContact O-N 3.38Å; Q223-G225 VanDerWaalsContact C-N 3.3Å; Q223-G225 PolarHBondContact O-N 2.82Å
224G80.1Confident86.8Confident58 Ų5888 Ų8860%0.59846%0.461SS*.THydrogen-bonded Turntrans77.56.817800000115.5A221 N226A221-G224 PolarHBondContact O-N 3.23Å; G224-N226 PolarHBondContact O-N 2.86Å
225G81Confident86.6Confident25 Ų2589.8 Ų89.826%0.25847%0.469SS..  trans-82.768.5-175.800000114.7V220 Q223 A227 A228 A229V220-G225 PolarHBondContact O-N 3.11Å; Q223-G225 VanDerWaalsContact C-N 3.3Å; Q223-G225 PolarHBondContact O-N 2.82Å; G225-A227 PolarHBondContact O-N 2.72Å; G225-A228 PolarHBondContact O-N 3Å; G225-A229 WeakPolarHBondContact O-CB 3.44Å; G225-A229 PolarHBondContact O-N 2.86Å
226N82Confident86.4Confident135 Ų13586.8 Ų86.872%0.72246%0.458SS*.Hα-helixtrans-54.7-45.4-175.3-78-14.3000114G224 A229 K230G224-N226 PolarHBondContact O-N 2.86Å; N226-A229 PolarHBondContact O-N 3.5Å; N226-K230 PolarHBondContact O-N 3.29Å
227A83.8Confident86.5Confident74 Ų7490.6 Ų90.661%0.61247%0.471SS*.Hα-helixtrans-68.3-39.6-179.400000112.6G225 K230 R231G225-A227 PolarHBondContact O-N 2.72Å; A227-K230 PolarHBondContact O-N 3.07Å; A227-R231 PolarHBondContact O-N 2.84Å
228A83.1Confident86.6Confident48 Ų4890.5 Ų90.540%0.39747%0.47SS..Hα-helixtrans-68.2-40.6177.400000111.3V220 G225 K230 R231 K232V220-A228 HydrophobicContact CG1-CB 3.79Å; G225-A228 PolarHBondContact O-N 3Å; A228-K230 PolarHBondContact O-N 3.05Å; A228-R231 PolarHBondContact O-N 3.41Å; A228-K232 PolarHBondContact O-N 3.44Å
229A83.3Confident86.7Confident14 Ų1483.3 Ų83.312%0.11644%0.444CS..Hα-helixtrans-59.6-45.6174.500000111.5V220 G225 N226 R231 K232 Q233V220-A229 HydrophobicContact CG1-CB 4.16Å; G225-A229 WeakPolarHBondContact O-CB 3.44Å; G225-A229 PolarHBondContact O-N 2.86Å; N226-A229 PolarHBondContact O-N 3.5Å; A229-R231 PolarHBondContact O-N 3.03Å; A229-K232 PolarHBondContact O-N 3.46Å; A229-Q233 WeakPolarHBondContact O-CB 3.3Å; A229-Q233 PolarHBondContact O-N 2.9Å
230K86.4Confident87Confident143 Ų14379.2 Ų79.262%0.62243%0.428SS*.Hα-helixtrans-61.1-41.7177.5-169.3174.5-177.2176.40112.6N226 A227 A228 Q233 L234N226-K230 PolarHBondContact O-N 3.29Å; A227-K230 PolarHBondContact O-N 3.07Å; A228-K230 PolarHBondContact O-N 3.05Å; K230-Q233 WeakPolarHBondContact O-CB 3.42Å; K230-Q233 PolarHBondContact O-N 3.04Å; K230-L234 PolarHBondContact O-N 3.28Å; K230-L234 VanDerWaalsContact O-N 3.16Å
231R84.8Confident87.2Confident195 Ų19578.6 Ų78.674%0.73642%0.424SS*.Hα-helixtrans-63.3-41175.2-71.5-177.8-177.5-137.22.4112A227 A228 A229 L234 K235A227-R231 PolarHBondContact O-N 2.84Å; A228-R231 PolarHBondContact O-N 3.41Å; A229-R231 PolarHBondContact O-N 3.03Å; R231-L234 PolarHBondContact O-N 3.27Å; R231-K235 PolarHBondContact O-N 3.39Å
232K86.5Confident87.6Confident69 Ų6976.2 Ų76.230%0.340%0.404SS..Hα-helixtrans-66.7-37.3175-72-171.8177.9-1720112S216 I217 V220 A228 A229 L234 K235 W236S216-K232 PolarHBondContact O-NZ 3.03Å; S216-K232 PolarHBondContact OG-NZ 3.46Å; I217-K232 HydrophobicContact CD1-CB 4.42Å; I217-K232 HydrophobicContact CG1-CB 3.66Å; V220-K232 HydrophobicContact CG2-CD 4.13Å; A228-K232 PolarHBondContact O-N 3.44Å; A229-K232 PolarHBondContact O-N 3.46Å; K232-L234 VanDerWaalsContact C-N 3.33Å; K232-L234 PolarHBondContact O-N 2.92Å; K232-K235 PolarHBondContact O-N 3.37Å; K232-W236 WeakPolarHBondContact O-CB 3.36Å; K232-W236 PolarHBondContact O-N 3.29Å
233Q88.4Confident87.9Confident87 Ų8772 Ų7241%0.40737%0.374SS..Hα-helixtrans-61.6-39.2177-167.9-174.511.700112.3A229 K230 W236 K237A229-Q233 WeakPolarHBondContact O-CB 3.3Å; A229-Q233 PolarHBondContact O-N 2.9Å; K230-Q233 WeakPolarHBondContact O-CB 3.42Å; K230-Q233 PolarHBondContact O-N 3.04Å; Q233-W236 PolarHBondContact O-N 2.99Å; Q233-K237 WeakPolarHBondContact O-CG 3.28Å; Q233-K237 PolarHBondContact O-N 3.08Å
234L85.8Confident88.2Confident106 Ų10668 Ų6856%0.55536%0.358SS*.Hα-helixtrans-63.6-44.2174.8-69.5173.4000111.9K230 R231 K232 W236 K237 L238K230-L234 PolarHBondContact O-N 3.28Å; K230-L234 VanDerWaalsContact O-N 3.16Å; R231-L234 PolarHBondContact O-N 3.27Å; K232-L234 VanDerWaalsContact C-N 3.33Å; K232-L234 PolarHBondContact O-N 2.92Å; L234-W236 VanDerWaalsContact C-N 3.33Å; L234-W236 PolarHBondContact O-N 3.42Å; L234-K237 PolarHBondContact O-N 3.44Å; L234-L238 PolarHBondContact O-N 3.19Å
235K87.4Confident88.9Confident146 Ų14665.3 Ų65.364%0.63533%0.33SS*.Hα-helixtrans-61.8-41.5175-67.9-174.2177.6-172.60111.9R231 K232 L238 I239R231-K235 PolarHBondContact O-N 3.39Å; K232-K235 PolarHBondContact O-N 3.37Å; K235-L238 PolarHBondContact O-N 3.37Å; K235-I239 WeakPolarHBondContact O-CG1 3.47Å; K235-I239 PolarHBondContact O-N 3.3Å; K235-I239 VanDerWaalsContact O-N 3.08Å
236W89.7Confident89.6Confident77 Ų7764.4 Ų64.429%0.29232%0.319SS..Hα-helixtrans-61.9-45.9176.5172.778.1000112.1A213 I217 K232 Q233 L234 L238 I239 V240A213-W236 HydrophobicContact CB-CB 4.32Å; A213-W236 HydrophobicContact CB-CG 4.44Å; I217-W236 HydrophobicContact CD1-CB 3.68Å; I217-W236 HydrophobicContact CD1-CG 3.98Å; K232-W236 WeakPolarHBondContact O-CB 3.36Å; K232-W236 PolarHBondContact O-N 3.29Å; Q233-W236 PolarHBondContact O-N 2.99Å; L234-W236 VanDerWaalsContact C-N 3.33Å; L234-W236 PolarHBondContact O-N 3.42Å; W236-L238 VanDerWaalsContact C-N 3.25Å; W236-L238 PolarHBondContact O-N 2.79Å; W236-I239 PolarHBondContact O-N 3.03Å; W236-V240 HydrophobicContact CD2-CG2 4.06Å; W236-V240 HydrophobicContact CG-CG2 4.43Å; W236-V240 HydrophobicContact CH2-CG2 4.42Å; W236-V240 HydrophobicContact CZ2-CG2 3.77Å; W236-V240 WeakPolarHBondContact O-CG2 3.26Å; W236-V240 PolarHBondContact O-N 3.27Å
237K91.8Very high90.2Very high109 Ų10960.6 Ų60.647%0.47430%0.3SS..Hα-helixtrans-57.3-39.5176.1-75.5-176.2179.4-175.70112.3Q233 L234 T241Q233-K237 WeakPolarHBondContact O-CG 3.28Å; Q233-K237 PolarHBondContact O-N 3.08Å; L234-K237 PolarHBondContact O-N 3.44Å; K237-T241 PolarHBondContact O-N 3.12Å; K237-T241 PolarHBondContact O-OG1 3.45Å
238L91.3Very high90.8Very high32 Ų3258.7 Ų58.717%0.16828%0.281CS..Hα-helixtrans-65-47.6176.6-176.565.2000111.8A61 L234 K235 W236 V240 T241 F242 I297A61-L238 HydrophobicContact CB-CD2 4.27Å; L234-L238 PolarHBondContact O-N 3.19Å; K235-L238 PolarHBondContact O-N 3.37Å; W236-L238 VanDerWaalsContact C-N 3.25Å; W236-L238 PolarHBondContact O-N 2.79Å; L238-V240 VanDerWaalsContact C-N 3.34Å; L238-V240 PolarHBondContact O-N 3.21Å; L238-T241 WeakPolarHBondContact O-CB 3.26Å; L238-T241 PolarHBondContact O-N 3.31Å; L238-T241 VanDerWaalsContact O-N 3.11Å; L238-F242 HydrophobicContact CD1-CD2 4.29Å; L238-F242 HydrophobicContact CD1-CE2 3.6Å; L238-F242 HydrophobicContact CD1-CZ 3.81Å; L238-F242 HydrophobicContact CD2-CE2 4.04Å; L238-F242 HydrophobicContact CG-CD2 4.06Å; L238-F242 HydrophobicContact CG-CE2 3.54Å; L238-F242 HydrophobicContact CG-CZ 4.26Å; L238-F242 WeakPolarHBondContact O-CD2 3.37Å; L238-F242 PolarHBondContact O-N 3.45Å; L238-I297 HydrophobicContact CD1-CD1 3.89Å; L238-I297 HydrophobicContact CD1-CG1 4.44Å
239I93.4Very high91.2Very high9 Ų956.6 Ų56.65%0.04626%0.263CS..Hα-helixtrans-59.1-45.8176.9-66.2166.8000110.8Y206 L209 I210 K235 W236 T241 F242 A243Y206-I239 HydrophobicContact CD1-CG2 4.08Å; L209-I239 HydrophobicContact CB-CG2 3.98Å; I210-I239 HydrophobicContact CG1-CG2 3.91Å; K235-I239 WeakPolarHBondContact O-CG1 3.47Å; K235-I239 PolarHBondContact O-N 3.3Å; K235-I239 VanDerWaalsContact O-N 3.08Å; W236-I239 PolarHBondContact O-N 3.03Å; I239-T241 PolarHBondContact O-N 2.91Å; I239-F242 PolarHBondContact O-N 3.12Å; I239-A243 WeakPolarHBondContact O-CB 3.34Å; I239-A243 PolarHBondContact O-N 2.9Å
240V94.9Very high91.7Very high26 Ų2657.2 Ų57.216%0.15827%0.265CS..Hα-helixtrans-60.5-36.8176.5170.80000111.3I210 W236 L238 A243 L244I210-V240 HydrophobicContact CD1-CG2 4.2Å; I210-V240 HydrophobicContact CG1-CG2 4.06Å; W236-V240 HydrophobicContact CD2-CG2 4.06Å; W236-V240 HydrophobicContact CG-CG2 4.43Å; W236-V240 HydrophobicContact CH2-CG2 4.42Å; W236-V240 HydrophobicContact CZ2-CG2 3.77Å; W236-V240 WeakPolarHBondContact O-CG2 3.26Å; W236-V240 PolarHBondContact O-N 3.27Å; L238-V240 VanDerWaalsContact C-N 3.34Å; L238-V240 PolarHBondContact O-N 3.21Å; V240-A243 PolarHBondContact O-N 3.46Å; V240-L244 HydrophobicContact CG1-CD1 4.04Å; V240-L244 HydrophobicContact CG1-CG 4.36Å; V240-L244 WeakPolarHBondContact O-CB 3.42Å; V240-L244 VanDerWaalsContact O-CG 3.29Å; V240-L244 WeakPolarHBondContact O-CG 3.44Å; V240-L244 PolarHBondContact O-N 3.42Å
241T94.7Very high92Very high4 Ų455.4 Ų55.43%0.02526%0.262CS..Hα-helixtrans-67-43.9178.6-55.90000111.7K237 L238 I239 L244 N245 V292 L293 R296 I297K237-T241 PolarHBondContact O-N 3.12Å; K237-T241 PolarHBondContact O-OG1 3.45Å; L238-T241 WeakPolarHBondContact O-CB 3.26Å; L238-T241 PolarHBondContact O-N 3.31Å; L238-T241 VanDerWaalsContact O-N 3.11Å; I239-T241 PolarHBondContact O-N 2.91Å; T241-L244 PolarHBondContact O-N 3.43Å; T241-N245 PolarHBondContact O-N 2.94Å; T241-V292 HydrophobicContact CG2-CG1 3.98Å; T241-L293 HydrophobicContact CG2-CD2 4.33Å; T241-R296 HydrophobicContact CG2-CB 3.55Å; T241-R296 HydrophobicContact CG2-CG 4.16Å; T241-R296 WeakPolarHBondContact OG1-CB 3.36Å; T241-I297 HydrophobicContact CG2-CD1 3.97Å; T241-I297 HydrophobicContact CG2-CG1 3.74Å
242F94.4Very high92.4Very high5 Ų547 Ų472%0.02223%0.232CC..Hα-helixtrans-65.4-40.9174.9-67.8-49.3000112.1A61 T65 T124 Y206 L238 I239 L244 N245 V246 L293A61-F242 HydrophobicContact CB-CE2 4.2Å; A61-F242 HydrophobicContact CB-CZ 4.3Å; T65-F242 HydrophobicContact CG2-CE1 4.5Å; T65-F242 VanDerWaalsContact OG1-CE1 3.26Å; T65-F242 WeakPolarHBondContact OG1-CE1 3.26Å; T65-F242 WeakPolarHBondContact OG1-CZ 3.34Å; T124-F242 HydrophobicContact CG2-CD1 4.49Å; T124-F242 HydrophobicContact CG2-CD2 4.09Å; T124-F242 HydrophobicContact CG2-CE2 4.19Å; T124-F242 HydrophobicContact CG2-CG 4.25Å; T124-F242 HydrophobicContact CG2-CZ 4.46Å; Y206-F242 HydrophobicContact CE1-CB 3.73Å; Y206-F242 WeakPolarHBondContact OH-CB 3.43Å; L238-F242 HydrophobicContact CD1-CD2 4.29Å; L238-F242 HydrophobicContact CD1-CE2 3.6Å; L238-F242 HydrophobicContact CD1-CZ 3.81Å; L238-F242 HydrophobicContact CD2-CE2 4.04Å; L238-F242 HydrophobicContact CG-CD2 4.06Å; L238-F242 HydrophobicContact CG-CE2 3.54Å; L238-F242 HydrophobicContact CG-CZ 4.26Å; L238-F242 WeakPolarHBondContact O-CD2 3.37Å; L238-F242 PolarHBondContact O-N 3.45Å; I239-F242 PolarHBondContact O-N 3.12Å; F242-L244 VanDerWaalsContact C-N 3.34Å; F242-L244 PolarHBondContact O-N 3.47Å; F242-N245 WeakPolarHBondContact O-CB 3.38Å; F242-N245 PolarHBondContact O-N 3.24Å; F242-V246 WeakPolarHBondContact O-CG2 3.5Å; F242-V246 PolarHBondContact O-N 3.09Å; F242-L293 HydrophobicContact CD1-CD2 4.44Å; F242-L293 HydrophobicContact CE1-CD2 4.28Å
243A95.1Very high92.5Very high8 Ų844.4 Ų44.47%0.06622%0.221CC..Hα-helixtrans-60.1-44.1174.500000111.8Y206 I210 I239 V240 N245 V246 V247Y206-A243 HydrophobicContact CD1-CB 3.97Å; Y206-A243 HydrophobicContact CD2-CB 4.38Å; Y206-A243 HydrophobicContact CG-CB 3.78Å; I210-A243 HydrophobicContact CD1-CB 3.68Å; I239-A243 WeakPolarHBondContact O-CB 3.34Å; I239-A243 PolarHBondContact O-N 2.9Å; V240-A243 PolarHBondContact O-N 3.46Å; A243-N245 VanDerWaalsContact C-N 3.33Å; A243-N245 PolarHBondContact O-N 2.94Å; A243-V246 PolarHBondContact O-N 2.91Å; A243-V247 WeakPolarHBondContact O-CB 3.27Å; A243-V247 VanDerWaalsContact O-CG2 3.27Å; A243-V247 WeakPolarHBondContact O-CG2 3.34Å; A243-V247 PolarHBondContact O-N 2.87Å
244L95.5Very high92.6Very high59 Ų5946.1 Ų46.131%0.30923%0.228SC..Hα-helixtrans-63.3-38.4175.5-76.1172.5000112.3V240 T241 F242 V247 V248 V292V240-L244 HydrophobicContact CG1-CD1 4.04Å; V240-L244 HydrophobicContact CG1-CG 4.36Å; V240-L244 WeakPolarHBondContact O-CB 3.42Å; V240-L244 VanDerWaalsContact O-CG 3.29Å; V240-L244 WeakPolarHBondContact O-CG 3.44Å; V240-L244 PolarHBondContact O-N 3.42Å; T241-L244 PolarHBondContact O-N 3.43Å; F242-L244 VanDerWaalsContact C-N 3.34Å; F242-L244 PolarHBondContact O-N 3.47Å; L244-V247 PolarHBondContact O-N 3.4Å; L244-V248 WeakPolarHBondContact O-CB 3.17Å; L244-V248 VanDerWaalsContact O-CG2 3.3Å; L244-V248 WeakPolarHBondContact O-CG2 3.38Å; L244-V248 PolarHBondContact O-N 2.89Å; L244-V292 HydrophobicContact CB-CG1 4.13Å
245N94.5Very high92.9Very high1 Ų143.9 Ų43.91%0.00522%0.218CC..Hα-helixtrans-61.5-47.2175.3-170.9-61.5000110.8Y72 T241 F242 A243 V248 Y249 S289 V292 L293Y72-N245 PolarHBondContact OH-OD1 3.38Å; Y72-N245 VanDerWaalsContact OH-OD1 3.12Å; T241-N245 PolarHBondContact O-N 2.94Å; F242-N245 WeakPolarHBondContact O-CB 3.38Å; F242-N245 PolarHBondContact O-N 3.24Å; A243-N245 VanDerWaalsContact C-N 3.33Å; A243-N245 PolarHBondContact O-N 2.94Å; N245-V248 PolarHBondContact O-N 3.37Å; N245-Y249 PolarHBondContact O-N 2.78Å; N245-S289 WeakPolarHBondContact ND2-CB 3.24Å; N245-S289 PolarHBondContact ND2-O 3.38Å; N245-S289 PolarHBondContact OD1-OG 2.98Å; N245-V292 HydrophobicContact CB-CG1 4.44Å; N245-L293 WeakPolarHBondContact ND2-CG 3.37Å
246V94.5Very high93Very high5 Ų536.9 Ų36.93%0.0319%0.188CC..Hα-helixtrans-63.3-44175.4176.90000111.4T202 L203 Y206 F242 A243 V248 Y249 T250T202-V246 HydrophobicContact CG2-CG1 3.97Å; T202-V246 HydrophobicContact CG2-CG2 4.11Å; L203-V246 HydrophobicContact CD2-CB 4.43Å; L203-V246 HydrophobicContact CD2-CG1 3.78Å; L203-V246 HydrophobicContact CG-CG1 4.18Å; Y206-V246 HydrophobicContact CD2-CG2 4.32Å; Y206-V246 HydrophobicContact CE2-CB 4.39Å; Y206-V246 HydrophobicContact CE2-CG2 3.7Å; F242-V246 WeakPolarHBondContact O-CG2 3.5Å; F242-V246 PolarHBondContact O-N 3.09Å; A243-V246 PolarHBondContact O-N 2.91Å; V246-V248 VanDerWaalsContact C-N 3.32Å; V246-V248 PolarHBondContact O-N 3.39Å; V246-Y249 PolarHBondContact O-N 3.39Å; V246-T250 WeakPolarHBondContact O-CB 3.13Å; V246-T250 PolarHBondContact O-N 3.24Å; V246-T250 PolarHBondContact O-OG1 3Å
247V95.8Very high92.8Very high55 Ų5534.8 Ų34.833%0.33318%0.182SC..Hα-helixtrans-58.8-44.1176.9167.60000111.3L203 A243 L244 T250 L251L203-V247 HydrophobicContact CD2-CG2 3.64Å; A243-V247 WeakPolarHBondContact O-CB 3.27Å; A243-V247 VanDerWaalsContact O-CG2 3.27Å; A243-V247 WeakPolarHBondContact O-CG2 3.34Å; A243-V247 PolarHBondContact O-N 2.87Å; L244-V247 PolarHBondContact O-N 3.4Å; V247-T250 PolarHBondContact O-N 2.93Å; V247-L251 HydrophobicContact CG1-CD1 3.78Å; V247-L251 HydrophobicContact CG1-CG 4.27Å; V247-L251 WeakPolarHBondContact O-CB 3.41Å; V247-L251 WeakPolarHBondContact O-CG 3.46Å; V247-L251 PolarHBondContact O-N 3.45Å
248V95.2Very high92.6Very high35 Ų3532.5 Ų32.521%0.21218%0.178CC..Hα-helixtrans-59.9-50.6176.1165.50000110.5L244 N245 V246 T250 L251 T252 A288 V292L244-V248 WeakPolarHBondContact O-CB 3.17Å; L244-V248 VanDerWaalsContact O-CG2 3.3Å; L244-V248 WeakPolarHBondContact O-CG2 3.38Å; L244-V248 PolarHBondContact O-N 2.89Å; N245-V248 PolarHBondContact O-N 3.37Å; V246-V248 VanDerWaalsContact C-N 3.32Å; V246-V248 PolarHBondContact O-N 3.39Å; V248-T250 PolarHBondContact O-N 3.31Å; V248-L251 PolarHBondContact O-N 3.48Å; V248-T252 WeakPolarHBondContact O-CG2 3.21Å; V248-T252 PolarHBondContact O-N 3.35Å; V248-T252 PolarHBondContact O-OG1 3.17Å; V248-T252 VanDerWaalsContact O-OG1 3.09Å; V248-A288 HydrophobicContact CG1-CB 3.43Å; V248-A288 VanDerWaalsContact CG1-CB 3.43Å; V248-V292 HydrophobicContact CG2-CG2 4.26Å
249Y92.6Very high92.6Very high4 Ų431.2 Ų31.22%0.01617%0.172CC..Hα-helixtrans-59.1-46.5177.7177.4-95.3000112.3Y72 I117 I118 N245 V246 L251 T252 M253Y72-Y249 HydrophobicContact CE1-CD2 4.32Å; I117-Y249 HydrophobicContact CB-CE2 4.32Å; I117-Y249 HydrophobicContact CD1-CE2 4.31Å; I117-Y249 HydrophobicContact CG2-CD1 4.33Å; I117-Y249 HydrophobicContact CG2-CD2 3.71Å; I117-Y249 HydrophobicContact CG2-CE1 4.22Å; I117-Y249 HydrophobicContact CG2-CE2 3.6Å; I117-Y249 HydrophobicContact CG2-CG 4.09Å; I118-Y249 HydrophobicContact CD1-CE1 4.2Å; I118-Y249 HydrophobicContact CG1-CE1 3.6Å; N245-Y249 PolarHBondContact O-N 2.78Å; V246-Y249 PolarHBondContact O-N 3.39Å; Y249-L251 PolarHBondContact O-N 2.86Å; Y249-T252 PolarHBondContact O-N 2.86Å; Y249-T252 PolarHBondContact O-OG1 3.01Å; Y249-M253 HydrophobicContact CE1-CB 4.42Å; Y249-M253 HydrophobicContact CE1-SD 3.68Å; Y249-M253 WeakPolarHBondContact O-CB 3.43Å; Y249-M253 PolarHBondContact O-N 3.01Å
250T92.2Very high92.2Very high27 Ų2732.5 Ų32.517%0.16618%0.178CC..Hα-helixtrans-62.9-42.9178.8-56.10000111.7V199 L203 V246 V247 V248 F254V199-T250 HydrophobicContact CG1-CG2 3.51Å; V199-T250 WeakPolarHBondContact CG1-OG1 3.44Å; L203-T250 HydrophobicContact CD1-CG2 4.14Å; V246-T250 WeakPolarHBondContact O-CB 3.13Å; V246-T250 PolarHBondContact O-N 3.24Å; V246-T250 PolarHBondContact O-OG1 3Å; V247-T250 PolarHBondContact O-N 2.93Å; V248-T250 PolarHBondContact O-N 3.31Å; T250-F254 WeakPolarHBondContact O-CB 3.16Å; T250-F254 PolarHBondContact O-N 3.2Å
251L94Very high91.7Very high105 Ų10533.3 Ų33.355%0.5518%0.183SC..Hα-helixtrans-64.3-43.7179.2-74172.6000111.4V247 V248 Y249 T255V247-L251 HydrophobicContact CG1-CD1 3.78Å; V247-L251 HydrophobicContact CG1-CG 4.27Å; V247-L251 WeakPolarHBondContact O-CB 3.41Å; V247-L251 WeakPolarHBondContact O-CG 3.46Å; V247-L251 PolarHBondContact O-N 3.45Å; V248-L251 PolarHBondContact O-N 3.48Å; Y249-L251 PolarHBondContact O-N 2.86Å; L251-T255 VanDerWaalsContact O-CB 3.23Å; L251-T255 WeakPolarHBondContact O-CB 3.29Å; L251-T255 PolarHBondContact O-N 3.04Å; L251-T255 PolarHBondContact O-OG1 3.21Å
252T92.9Very high91.3Very high17 Ų1735.2 Ų35.210%0.10420%0.195CC..Hα-helixtrans-67.3-45.3178.452.60000111.4V248 Y249 T255 G256 V281 S285V248-T252 WeakPolarHBondContact O-CG2 3.21Å; V248-T252 PolarHBondContact O-N 3.35Å; V248-T252 PolarHBondContact O-OG1 3.17Å; V248-T252 VanDerWaalsContact O-OG1 3.09Å; Y249-T252 PolarHBondContact O-N 2.86Å; Y249-T252 PolarHBondContact O-OG1 3.01Å; T252-T255 PolarHBondContact O-N 3.1Å; T252-G256 PolarHBondContact O-N 3.3Å; T252-V281 HydrophobicContact CG2-CG1 4.16Å; T252-S285 WeakPolarHBondContact OG1-CB 3.38Å
253M89.3Confident90.9Very high16 Ų1635.1 Ų35.18%0.07920%0.195CC..Hα-helixtrans-65.8-45.5179.8-174-168.6-177.300111.7I118 F195 Y249 G256 N257 D282I118-M253 HydrophobicContact CD1-CE 3.91Å; I118-M253 HydrophobicContact CD1-SD 4.09Å; F195-M253 HydrophobicContact CB-CE 4.09Å; F195-M253 HydrophobicContact CD2-CE 4.04Å; F195-M253 HydrophobicContact CG-CE 4.27Å; Y249-M253 HydrophobicContact CE1-CB 4.42Å; Y249-M253 HydrophobicContact CE1-SD 3.68Å; Y249-M253 WeakPolarHBondContact O-CB 3.43Å; Y249-M253 PolarHBondContact O-N 3.01Å; M253-G256 PolarHBondContact O-N 3.41Å; M253-N257 VanDerWaalsContact O-CB 3.29Å; M253-N257 WeakPolarHBondContact O-CB 3.46Å; M253-N257 PolarHBondContact O-N 3.25Å; M253-N257 PolarHBondContact O-ND2 2.81Å; M253-D282 WeakPolarHBondContact CA-OD1 3.29Å; M253-D282 PolarHBondContact N-OD1 2.75Å
254F89.9Confident90.2Very high123 Ų12336.4 Ų36.454%0.53921%0.209SC..Hα-helixtrans-63.6-44.4178.3-179-97.1000111.6T250 T258T250-F254 WeakPolarHBondContact O-CB 3.16Å; T250-F254 PolarHBondContact O-N 3.2Å; F254-T258 VanDerWaalsContact O-CB 3.23Å; F254-T258 WeakPolarHBondContact O-CB 3.26Å; F254-T258 PolarHBondContact O-N 2.88Å; F254-T258 PolarHBondContact O-OG1 2.9Å
255T91.3Very high89.6Confident58 Ų5840.2 Ų40.236%0.35623%0.227SC..Hα-helixtrans-62.9-46.1176.6-56.60000110.6L251 T252 A259 I278L251-T255 VanDerWaalsContact O-CB 3.23Å; L251-T255 WeakPolarHBondContact O-CB 3.29Å; L251-T255 PolarHBondContact O-N 3.04Å; L251-T255 PolarHBondContact O-OG1 3.21Å; T252-T255 PolarHBondContact O-N 3.1Å; T255-A259 VanDerWaalsContact O-CB 3.26Å; T255-A259 WeakPolarHBondContact O-CB 3.34Å; T255-A259 PolarHBondContact O-N 3.4Å; T255-I278 HydrophobicContact CG2-CG2 4.12Å
256G89.6Confident89.1Confident0 Ų042.3 Ų42.30%024%0.238CC..Hα-helixtrans-61.7-52179.500000112.5T252 M253 A259 I260 G279T252-G256 PolarHBondContact O-N 3.3Å; M253-G256 PolarHBondContact O-N 3.41Å; G256-A259 PolarHBondContact O-N 2.93Å; G256-I260 VanDerWaalsContact O-CG1 3.28Å; G256-I260 WeakPolarHBondContact O-CG1 3.21Å; G256-I260 PolarHBondContact O-N 2.84Å; G256-G279 WeakPolarHBondContact CA-O 3.5Å
257N86.5Confident88.4Confident32 Ų3250.7 Ų50.717%0.17128%0.277CS..Hα-helixtrans-62.2-46.3179.4-74.9-19.5000111.9M253 A259 I260 T261M253-N257 VanDerWaalsContact O-CB 3.29Å; M253-N257 WeakPolarHBondContact O-CB 3.46Å; M253-N257 PolarHBondContact O-N 3.25Å; M253-N257 PolarHBondContact O-ND2 2.81Å; N257-A259 VanDerWaalsContact C-N 3.32Å; N257-A259 PolarHBondContact O-N 3.17Å; N257-I260 PolarHBondContact O-N 2.85Å; N257-T261 WeakPolarHBondContact O-CB 3.49Å; N257-T261 PolarHBondContact O-N 2.76Å; N257-T261 PolarHBondContact O-OG1 2.99Å
258T87.9Confident88Confident62 Ų6252.3 Ų52.338%0.3828%0.283SS..Hα-helixtrans-59.7-46.1177.5-58.90000110.4F254 I260 T261 T262F254-T258 VanDerWaalsContact O-CB 3.23Å; F254-T258 WeakPolarHBondContact O-CB 3.26Å; F254-T258 PolarHBondContact O-N 2.88Å; F254-T258 PolarHBondContact O-OG1 2.9Å; T258-I260 PolarHBondContact O-N 3.44Å; T258-T261 PolarHBondContact O-N 3.4Å; T258-T262 VanDerWaalsContact O-CB 3.26Å; T258-T262 WeakPolarHBondContact O-CB 3.47Å; T258-T262 PolarHBondContact O-N 3.02Å; T258-T262 PolarHBondContact O-OG1 3.06Å
259A89.9Confident87.3Confident5 Ų555.5 Ų55.54%0.04129%0.292CS..Hα-helixtrans-62.2-44178.700000112.3T255 G256 N257 A263 L275 I278T255-A259 VanDerWaalsContact O-CB 3.26Å; T255-A259 WeakPolarHBondContact O-CB 3.34Å; T255-A259 PolarHBondContact O-N 3.4Å; G256-A259 PolarHBondContact O-N 2.93Å; N257-A259 VanDerWaalsContact C-N 3.32Å; N257-A259 PolarHBondContact O-N 3.17Å; A259-A263 VanDerWaalsContact O-CB 3.3Å; A259-A263 WeakPolarHBondContact O-CB 3.11Å; A259-A263 PolarHBondContact O-N 3.48Å; A259-L275 HydrophobicContact CB-CD2 4.29Å; A259-L275 WeakPolarHBondContact CB-O 3.26Å; A259-I278 HydrophobicContact CB-CB 4.16Å; A259-I278 HydrophobicContact CB-CG2 3.93Å
260I86.5Confident86.9Confident36 Ų3662.6 Ų62.619%0.18533%0.326CS..Hα-helixtrans-65.3-46178.3-67.9166000111.2G256 N257 T258 A263 G264G256-I260 VanDerWaalsContact O-CG1 3.28Å; G256-I260 WeakPolarHBondContact O-CG1 3.21Å; G256-I260 PolarHBondContact O-N 2.84Å; N257-I260 PolarHBondContact O-N 2.85Å; T258-I260 PolarHBondContact O-N 3.44Å; I260-A263 WeakPolarHBondContact O-CB 3.44Å; I260-A263 PolarHBondContact O-N 2.81Å; I260-G264 PolarHBondContact O-N 3.47Å; I260-G264 VanDerWaalsContact O-N 3.07Å
261T84.3Confident86.8Confident43 Ų4364.9 Ų64.926%0.26434%0.336SS..Hα-helixtrans-63.8-44.7178.5-580000110.9N257 T258 A263 G264 M265N257-T261 WeakPolarHBondContact O-CB 3.49Å; N257-T261 PolarHBondContact O-N 2.76Å; N257-T261 PolarHBondContact O-OG1 2.99Å; T258-T261 PolarHBondContact O-N 3.4Å; T261-A263 PolarHBondContact O-N 2.83Å; T261-G264 PolarHBondContact O-N 3.34Å; T261-G264 VanDerWaalsContact O-N 3.17Å; T261-M265 HydrophobicContact CG2-CE 4.31Å; T261-M265 WeakPolarHBondContact O-CG 3.31Å; T261-M265 PolarHBondContact O-N 3.36Å
262T86.4Confident86.4Confident44 Ų4460.4 Ų60.427%0.2731%0.314SS..Hα-helixtrans-63.9-39.9176.6-59.20000111.6T258 G264 M265 I266 L275T258-T262 VanDerWaalsContact O-CB 3.26Å; T258-T262 WeakPolarHBondContact O-CB 3.47Å; T258-T262 PolarHBondContact O-N 3.02Å; T258-T262 PolarHBondContact O-OG1 3.06Å; T262-G264 PolarHBondContact O-N 3.24Å; T262-M265 PolarHBondContact O-N 3.27Å; T262-I266 HydrophobicContact CG2-CD1 3.59Å; T262-I266 HydrophobicContact CG2-CG1 4.29Å; T262-I266 WeakPolarHBondContact O-CG1 3.19Å; T262-I266 PolarHBondContact O-N 2.95Å; T262-L275 HydrophobicContact CG2-CD1 3.74Å
263A85.7Confident86Confident2 Ų261.5 Ų61.52%0.01732%0.319CS..Hα-helixtrans-58.9-36.8173.800000112.4A259 I260 T261 M265 A272 L275 L276A259-A263 VanDerWaalsContact O-CB 3.3Å; A259-A263 WeakPolarHBondContact O-CB 3.11Å; A259-A263 PolarHBondContact O-N 3.48Å; I260-A263 WeakPolarHBondContact O-CB 3.44Å; I260-A263 PolarHBondContact O-N 2.81Å; T261-A263 PolarHBondContact O-N 2.83Å; A263-M265 VanDerWaalsContact C-N 3.26Å; A263-M265 PolarHBondContact O-N 2.93Å; A263-A272 HydrophobicContact CB-CB 4.37Å; A263-A272 WeakPolarHBondContact CB-O 3.34Å; A263-L275 HydrophobicContact CB-CB 3.75Å; A263-L275 HydrophobicContact CB-CD1 4.47Å; A263-L276 HydrophobicContact CB-CD2 4.05Å; A263-L276 HydrophobicContact CB-CG 3.89Å
264G79.3Confident86Confident35 Ų3565.3 Ų65.336%0.36134%0.339SS..Hα-helixtrans-69.4-19.817700000114.6I260 T261 T262I260-G264 PolarHBondContact O-N 3.47Å; I260-G264 VanDerWaalsContact O-N 3.07Å; T261-G264 PolarHBondContact O-N 3.34Å; T261-G264 VanDerWaalsContact O-N 3.17Å; T262-G264 PolarHBondContact O-N 3.24Å
265M83.1Confident86Confident139 Ų13960.9 Ų60.969%0.68532%0.321SS*.Hα-helixtrans-99.3-15.6-177.9-64.8-171.9-61.700113.9T261 T262 A263T261-M265 HydrophobicContact CG2-CE 4.31Å; T261-M265 WeakPolarHBondContact O-CG 3.31Å; T261-M265 PolarHBondContact O-N 3.36Å; T262-M265 PolarHBondContact O-N 3.27Å; A263-M265 VanDerWaalsContact C-N 3.26Å; A263-M265 PolarHBondContact O-N 2.93Å
266I84.6Confident85.8Confident46 Ų4659 Ų5924%0.23631%0.308CS..  trans-90.1138.9-177.5-71.7169.8000110.2T262 D268 L271 L275T262-I266 HydrophobicContact CG2-CD1 3.59Å; T262-I266 HydrophobicContact CG2-CG1 4.29Å; T262-I266 WeakPolarHBondContact O-CG1 3.19Å; T262-I266 PolarHBondContact O-N 2.95Å; I266-D268 HydrophobicContact CG2-CB 3.77Å; I266-D268 VanDerWaalsContact CG2-N 3.34Å; I266-D268 WeakPolarHBondContact CG2-O 3.39Å; I266-L271 HydrophobicContact CD1-CD2 3.86Å; I266-L271 HydrophobicContact CD1-CG 4.15Å; I266-L271 HydrophobicContact CG2-CB 4.38Å; I266-L271 HydrophobicContact CG2-CD2 4.32Å; I266-L275 HydrophobicContact CD1-CD1 3.5Å; I266-L275 VanDerWaalsContact CD1-CD1 3.5Å
267E80.4Confident85.9Confident181 Ų18162.3 Ų62.385%0.84632%0.323SS*.  trans-84.7-28.7174.9-64.9178.5179.300112.5Y269E267-Y269 PolarHBondContact O-N 3.48Å; E267-Y269 VanDerWaalsContact O-N 3.15Å
268D86.6Confident86.1Confident88 Ų8864 Ų6447%0.47133%0.331SS..  trans-66110174.1-176.3-23.9000111.4I266 E270 L271 A272I266-D268 HydrophobicContact CG2-CB 3.77Å; I266-D268 VanDerWaalsContact CG2-N 3.34Å; I266-D268 WeakPolarHBondContact CG2-O 3.39Å; D268-E270 PolarHBondContact O-N 2.99Å; D268-E270 PolarHBondContact OD1-N 3.34Å; D268-L271 HydrophobicContact CB-CB 4.12Å; D268-L271 PolarHBondContact O-N 2.95Å; D268-L271 PolarHBondContact OD1-N 3.43Å; D268-A272 VanDerWaalsContact O-CB 3.29Å; D268-A272 WeakPolarHBondContact O-CB 3.4Å; D268-A272 PolarHBondContact O-N 3.2Å
269Y80Confident86.1Confident103 Ų10361 Ų6140%0.40431%0.313SS..Hα-helixtrans-64.2-37.4-178.2-70.1-73.5000114H17 E267 L271 M273H17-Y269 HydrophobicContact CB-CE1 3.98Å; H17-Y269 AromaticContact CD2-CE1 4Å; H17-Y269 AromaticContact CD2-CZ 3.53Å; H17-Y269 PolarHBondContact CD2-OH 3.38Å; H17-Y269 AromaticContact CE1-CD2 3.66Å; H17-Y269 AromaticContact CE1-CE1 3.87Å; H17-Y269 AromaticContact CE1-CE2 3.14Å; H17-Y269 WeakPolarHBondContact CE1-CE2 3.39Å; H17-Y269 AromaticContact CE1-CZ 3.27Å; H17-Y269 AromaticContact CG-CE1 3.54Å; H17-Y269 AromaticContact CG-CZ 3.53Å; H17-Y269 AromaticContact ND1-CD1 3.75Å; H17-Y269 AromaticContact ND1-CD2 3.88Å; H17-Y269 AromaticContact ND1-CE1 3.45Å; H17-Y269 WeakPolarHBondContact ND1-CE1 3.24Å; H17-Y269 AromaticContact ND1-CE2 3.58Å; H17-Y269 AromaticContact ND1-CG 3.96Å; H17-Y269 AromaticContact ND1-CZ 3.36Å; H17-Y269 AromaticContact NE2-CE2 3.51Å; H17-Y269 AromaticContact NE2-CZ 3.36Å; H17-Y269 PolarHBondContact NE2-OH 2.85Å; H17-Y269 VanDerWaalsContact NE2-OH 3.16Å; E267-Y269 PolarHBondContact O-N 3.48Å; E267-Y269 VanDerWaalsContact O-N 3.15Å; Y269-L271 VanDerWaalsContact C-N 3.35Å; Y269-M273 WeakPolarHBondContact O-CB 3.38Å; Y269-M273 PolarHBondContact O-N 3.32Å
270E85.5Confident86.1Confident153 Ų15362 Ų6272%0.71532%0.318SS*.Hα-helixtrans-67.2-42.8-179.1-67-165.3163.400110.2D268 L274D268-E270 PolarHBondContact O-N 2.99Å; D268-E270 PolarHBondContact OD1-N 3.34Å; E270-L274 PolarHBondContact O-N 3.39Å
271L88.3Confident86.3Confident75 Ų7562.6 Ų62.639%0.39332%0.324SS..Hα-helixtrans-69.9-43.6177.3-172.959.4000112.1I266 D268 Y269 M273 L274 L275I266-L271 HydrophobicContact CD1-CD2 3.86Å; I266-L271 HydrophobicContact CD1-CG 4.15Å; I266-L271 HydrophobicContact CG2-CB 4.38Å; I266-L271 HydrophobicContact CG2-CD2 4.32Å; D268-L271 HydrophobicContact CB-CB 4.12Å; D268-L271 PolarHBondContact O-N 2.95Å; D268-L271 PolarHBondContact OD1-N 3.43Å; Y269-L271 VanDerWaalsContact C-N 3.35Å; L271-M273 VanDerWaalsContact C-N 3.29Å; L271-M273 PolarHBondContact O-N 2.93Å; L271-L274 HydrophobicContact CD1-CD2 4.47Å; L271-L274 PolarHBondContact O-N 3.17Å; L271-L275 HydrophobicContact CG-CD1 4.32Å; L271-L275 WeakPolarHBondContact O-CB 3.47Å; L271-L275 WeakPolarHBondContact O-CG 3.33Å; L271-L275 PolarHBondContact O-N 3.24Å
272A85.5Confident86.6Confident10 Ų1061.7 Ų61.78%0.08332%0.317CS..Hα-helixtrans-59.5-41.7175.500000111.3A263 D268 L275 L276A263-A272 HydrophobicContact CB-CB 4.37Å; A263-A272 WeakPolarHBondContact CB-O 3.34Å; D268-A272 VanDerWaalsContact O-CB 3.29Å; D268-A272 WeakPolarHBondContact O-CB 3.4Å; D268-A272 PolarHBondContact O-N 3.2Å; A272-L275 PolarHBondContact O-N 3.19Å; A272-L276 WeakPolarHBondContact O-CG 3.39Å; A272-L276 PolarHBondContact O-N 3.49Å
273M86.2Confident86.9Confident41 Ų4160.1 Ų60.120%0.20231%0.307CS..Hα-helixtrans-65.5-42176.2-179.5175.26300112.4S24 Y269 L271 L275 L276 K277S24-M273 WeakPolarHBondContact CB-SD 3.48Å; S24-M273 PolarHBondContact OG-SD 3.34Å; Y269-M273 WeakPolarHBondContact O-CB 3.38Å; Y269-M273 PolarHBondContact O-N 3.32Å; L271-M273 VanDerWaalsContact C-N 3.29Å; L271-M273 PolarHBondContact O-N 2.93Å; M273-L275 VanDerWaalsContact C-N 3.3Å; M273-L275 PolarHBondContact O-N 3.31Å; M273-L276 PolarHBondContact O-N 3.07Å; M273-K277 WeakPolarHBondContact O-CG 3.43Å; M273-K277 PolarHBondContact O-N 3.07Å; M273-K277 VanDerWaalsContact O-N 3.1Å
274L89.6Confident87.2Confident95 Ų9563.7 Ų63.750%0.49733%0.325SS..Hα-helixtrans-60-43.3173.7-179.766.4000111.1E270 L271 K277 I278E270-L274 PolarHBondContact O-N 3.39Å; L271-L274 HydrophobicContact CD1-CD2 4.47Å; L271-L274 PolarHBondContact O-N 3.17Å; L274-K277 WeakPolarHBondContact O-CB 3.15Å; L274-K277 PolarHBondContact O-N 3.49Å; L274-I278 HydrophobicContact CG-CD1 4.21Å; L274-I278 WeakPolarHBondContact O-CG1 3.41Å; L274-I278 PolarHBondContact O-N 3.01Å
275L89.8Confident87.9Confident30 Ų3062 Ų6216%0.15731%0.308CS..Hα-helixtrans-66.2-38.4177.8-73.7169000112.6A259 T262 A263 I266 L271 A272 M273 K277 I278 G279A259-L275 HydrophobicContact CB-CD2 4.29Å; A259-L275 WeakPolarHBondContact CB-O 3.26Å; T262-L275 HydrophobicContact CG2-CD1 3.74Å; A263-L275 HydrophobicContact CB-CB 3.75Å; A263-L275 HydrophobicContact CB-CD1 4.47Å; I266-L275 HydrophobicContact CD1-CD1 3.5Å; I266-L275 VanDerWaalsContact CD1-CD1 3.5Å; L271-L275 HydrophobicContact CG-CD1 4.32Å; L271-L275 WeakPolarHBondContact O-CB 3.47Å; L271-L275 WeakPolarHBondContact O-CG 3.33Å; L271-L275 PolarHBondContact O-N 3.24Å; A272-L275 PolarHBondContact O-N 3.19Å; M273-L275 VanDerWaalsContact C-N 3.3Å; M273-L275 PolarHBondContact O-N 3.31Å; L275-K277 VanDerWaalsContact C-N 3.28Å; L275-K277 PolarHBondContact O-N 3.27Å; L275-I278 CarbonylContact O-C 3.58Å; L275-I278 PolarHBondContact O-N 2.92Å; L275-G279 PolarHBondContact O-N 2.88Å
276L87Confident88.3Confident18 Ų1855.5 Ų55.59%0.09428%0.276CS..Hα-helixtrans-61.1-37.3172.1-73171.5000112M1 V21 M25 A263 A272 M273 G279M1-L276 HydrophobicContact CE-CD1 4.42Å; V21-L276 HydrophobicContact CG1-CD1 4.16Å; M25-L276 HydrophobicContact CE-CB 4.49Å; M25-L276 HydrophobicContact SD-CB 4.28Å; A263-L276 HydrophobicContact CB-CD2 4.05Å; A263-L276 HydrophobicContact CB-CG 3.89Å; A272-L276 WeakPolarHBondContact O-CG 3.39Å; A272-L276 PolarHBondContact O-N 3.49Å; M273-L276 PolarHBondContact O-N 3.07Å; L276-G279 WeakPolarHBondContact O-CA 3.5Å; L276-G279 PolarHBondContact O-N 2.89Å
277K90.4Very high88.8Confident71 Ų7155.4 Ų55.431%0.30928%0.276SS..Hα-helixtrans-67-39.4173.6-66.7176.2179.6176.90112.1S24 M25 I28 M273 L274 L275 G279 T280S24-K277 VanDerWaalsContact OG-CE 3.26Å; S24-K277 WeakPolarHBondContact OG-CE 3.31Å; S24-K277 PolarHBondContact OG-NZ 2.99Å; M25-K277 HydrophobicContact SD-CG 3.99Å; I28-K277 HydrophobicContact CD1-CG 4.35Å; I28-K277 HydrophobicContact CG1-CG 4.05Å; M273-K277 WeakPolarHBondContact O-CG 3.43Å; M273-K277 PolarHBondContact O-N 3.07Å; M273-K277 VanDerWaalsContact O-N 3.1Å; L274-K277 WeakPolarHBondContact O-CB 3.15Å; L274-K277 PolarHBondContact O-N 3.49Å; L275-K277 VanDerWaalsContact C-N 3.28Å; L275-K277 PolarHBondContact O-N 3.27Å; K277-G279 PolarHBondContact O-N 3.32Å; K277-T280 PolarHBondContact O-N 3.39Å; K277-T280 PolarHBondContact O-OG1 2.98Å
278I91.4Very high89.6Confident66 Ų6648.4 Ų48.434%0.33825%0.249SC..Hα-helixtrans-67.1-31.9173.1-65.6166.5000110.4T255 A259 L274 L275 T280 V281T255-I278 HydrophobicContact CG2-CG2 4.12Å; A259-I278 HydrophobicContact CB-CB 4.16Å; A259-I278 HydrophobicContact CB-CG2 3.93Å; L274-I278 HydrophobicContact CG-CD1 4.21Å; L274-I278 WeakPolarHBondContact O-CG1 3.41Å; L274-I278 PolarHBondContact O-N 3.01Å; L275-I278 CarbonylContact O-C 3.58Å; L275-I278 PolarHBondContact O-N 2.92Å; I278-T280 PolarHBondContact O-N 3.05Å; I278-T280 VanDerWaalsContact O-N 3.14Å; I278-V281 VanDerWaalsContact O-CB 3.24Å; I278-V281 WeakPolarHBondContact O-CB 3.14Å; I278-V281 WeakPolarHBondContact O-CG2 3.49Å; I278-V281 PolarHBondContact O-N 3.14Å
279G88.1Confident89.9Confident1 Ų144.2 Ų44.21%0.0123%0.227CC..Hα-helixtrans-50.7-35.8174.800000113.6G256 L275 L276 K277 V281 D282G256-G279 WeakPolarHBondContact CA-O 3.5Å; L275-G279 PolarHBondContact O-N 2.88Å; L276-G279 WeakPolarHBondContact O-CA 3.5Å; L276-G279 PolarHBondContact O-N 2.89Å; K277-G279 PolarHBondContact O-N 3.32Å; G279-V281 PolarHBondContact O-N 2.95Å; G279-D282 PolarHBondContact O-N 3.18Å
280T89Confident90.6Very high24 Ų2439.7 Ų39.715%0.14721%0.209CC..G310 helixtrans-75.1-2-178.768.70000114M25 I28 K277 I278 D282 H283M25-T280 HydrophobicContact CE-CG2 4.16Å; I28-T280 HydrophobicContact CG2-CG2 3.47Å; I28-T280 VanDerWaalsContact CG2-CG2 3.47Å; K277-T280 PolarHBondContact O-N 3.39Å; K277-T280 PolarHBondContact O-OG1 2.98Å; I278-T280 PolarHBondContact O-N 3.05Å; I278-T280 VanDerWaalsContact O-N 3.14Å; T280-D282 PolarHBondContact O-N 3.47Å; T280-H283 VanDerWaalsContact O-CB 3.31Å; T280-H283 WeakPolarHBondContact O-CB 3.48Å; T280-H283 PolarHBondContact O-N 3.49Å
281V91.6Very high91.2Very high50 Ų5034.7 Ų34.730%0.30319%0.191SC..G310 helixtrans-58.6-29170.1170.20000111.2T252 I278 G279 H283 L284T252-V281 HydrophobicContact CG2-CG1 4.16Å; I278-V281 VanDerWaalsContact O-CB 3.24Å; I278-V281 WeakPolarHBondContact O-CB 3.14Å; I278-V281 WeakPolarHBondContact O-CG2 3.49Å; I278-V281 PolarHBondContact O-N 3.14Å; G279-V281 PolarHBondContact O-N 2.95Å; V281-H283 PolarHBondContact O-N 2.92Å; V281-L284 WeakPolarHBondContact O-CB 3.45Å; V281-L284 PolarHBondContact O-N 3.03Å
282D89.7Confident91.5Very high24 Ų2432.5 Ų32.513%0.12818%0.181CC..G310 helixtrans-57.3-33.8173.9-175.840.6000112.7M253 G279 T280 L284 S285M253-D282 WeakPolarHBondContact CA-OD1 3.29Å; M253-D282 PolarHBondContact N-OD1 2.75Å; G279-D282 PolarHBondContact O-N 3.18Å; T280-D282 PolarHBondContact O-N 3.47Å; D282-L284 PolarHBondContact O-N 3.07Å; D282-S285 WeakPolarHBondContact O-CB 3.23Å; D282-S285 PolarHBondContact O-N 3.22Å; D282-S285 PolarHBondContact O-OG 2.92Å
283H92.2Very high91.9Very high11 Ų1132 Ų325%0.05118%0.177CC..G310 helixtrans-67-21179.8-53.7167.2000112.8D32 L35 I79 T280 V281 S285D32-H283 IonicContact OD1-CE1 3.23Å; D32-H283 IonicContact OD1-CG 2.82Å; D32-H283 IonicContact OD1-ND1 3.11Å; D32-H283 PolarHBondContact OD1-ND1 3.08Å; D32-H283 IonicContact OD2-CE1 3.69Å; D32-H283 PolarHBondContact OD2-CE1 3.44Å; D32-H283 VanDerWaalsContact OD2-CE1 3.23Å; D32-H283 IonicContact OD2-ND1 3.76Å; D32-H283 PolarHBondContact OD2-ND1 2.99Å; D32-H283 VanDerWaalsContact OD2-ND1 3.11Å; L35-H283 HydrophobicContact CD2-CB 3.87Å; L35-H283 WeakPolarHBondContact CD2-O 3.47Å; I79-H283 HydrophobicContact CD1-CB 3.81Å; T280-H283 VanDerWaalsContact O-CB 3.31Å; T280-H283 WeakPolarHBondContact O-CB 3.48Å; T280-H283 PolarHBondContact O-N 3.49Å; V281-H283 PolarHBondContact O-N 2.92Å; H283-S285 PolarHBondContact O-N 3.44Å
284L93.5Very high92.3Very high77 Ų7732.9 Ų32.940%0.40318%0.179SC..G310 helixtrans-75.7-12.1176.4-65.1170.6000112.9L35 V281 D282 G286 L287 A288L35-L284 HydrophobicContact CD1-CD2 4Å; L35-L284 HydrophobicContact CD2-CD2 3.65Å; L35-L284 HydrophobicContact CD2-CG 4.24Å; L35-L284 HydrophobicContact CG-CD2 4.5Å; V281-L284 WeakPolarHBondContact O-CB 3.45Å; V281-L284 PolarHBondContact O-N 3.03Å; D282-L284 PolarHBondContact O-N 3.07Å; L284-G286 VanDerWaalsContact C-N 3.33Å; L284-G286 PolarHBondContact O-N 2.85Å; L284-L287 PolarHBondContact O-N 3.48Å; L284-A288 WeakPolarHBondContact O-CB 3.29Å; L284-A288 PolarHBondContact O-N 3.45Å
285S93.1Very high92.6Very high0 Ų035 Ų350%019%0.185CC..Hα-helixtrans-53.8-47.5-176.566.70000112.1T252 D282 H283 L287 A288 S289T252-S285 WeakPolarHBondContact OG1-CB 3.38Å; D282-S285 WeakPolarHBondContact O-CB 3.23Å; D282-S285 PolarHBondContact O-N 3.22Å; D282-S285 PolarHBondContact O-OG 2.92Å; H283-S285 PolarHBondContact O-N 3.44Å; S285-L287 PolarHBondContact O-N 3.27Å; S285-A288 PolarHBondContact O-N 2.97Å; S285-S289 WeakPolarHBondContact O-CB 3.38Å; S285-S289 PolarHBondContact O-N 2.9Å; S285-S289 PolarHBondContact O-OG 3.41Å; S285-S289 VanDerWaalsContact O-OG 3.06Å
286G92.1Very high92.8Very high1 Ų141.2 Ų41.21%0.0121%0.206CC..Hα-helixtrans-61.2-45.2179.500000113.1L284 L290L284-G286 VanDerWaalsContact C-N 3.33Å; L284-G286 PolarHBondContact O-N 2.85Å; G286-L290 WeakPolarHBondContact O-CB 3.27Å; G286-L290 WeakPolarHBondContact O-CD1 3.38Å; G286-L290 WeakPolarHBondContact O-CG 3.4Å; G286-L290 PolarHBondContact O-N 3.07Å
287L95.6Very high93.1Very high44 Ų4440.6 Ų40.623%0.2320%0.203CC..Hα-helixtrans-64.4-50.6178.5177.657.1000111.2L35 F38 V39 L42 L284 S285 S289 L290 C291L35-L287 HydrophobicContact CD1-CB 4.12Å; L35-L287 HydrophobicContact CD1-CD2 3.85Å; F38-L287 HydrophobicContact CD1-CD1 3.81Å; F38-L287 HydrophobicContact CE1-CD1 3.69Å; V39-L287 HydrophobicContact CG2-CB 3.92Å; L42-L287 HydrophobicContact CD1-CD1 4.09Å; L284-L287 PolarHBondContact O-N 3.48Å; S285-L287 PolarHBondContact O-N 3.27Å; L287-S289 VanDerWaalsContact C-N 3.33Å; L287-S289 PolarHBondContact O-N 2.98Å; L287-L290 PolarHBondContact O-N 3.36Å; L287-C291 PolarHBondContact O-N 3.12Å; L287-C291 PolarHBondContact O-SG 2.89Å; L287-C291 VanDerWaalsContact O-SG 3.34Å
288A95.5Very high93.1Very high35 Ų3545.2 Ų45.229%0.28922%0.218SC..Hα-helixtrans-61.9-41.9-178.500000111.5V248 L284 S285 C291 V292V248-A288 HydrophobicContact CG1-CB 3.43Å; V248-A288 VanDerWaalsContact CG1-CB 3.43Å; L284-A288 WeakPolarHBondContact O-CB 3.29Å; L284-A288 PolarHBondContact O-N 3.45Å; S285-A288 PolarHBondContact O-N 2.97Å; A288-C291 WeakPolarHBondContact O-CB 3.32Å; A288-C291 PolarHBondContact O-N 2.89Å; A288-V292 WeakPolarHBondContact O-CG2 3.02Å; A288-V292 PolarHBondContact O-N 3.4Å
289S94.4Very high93.2Very high0 Ų046.1 Ų46.10%022%0.221CC..Hα-helixtrans-62.6-43.4175.8-76.60000113.1Y72 N245 S285 L287 V292 L293Y72-S289 VanDerWaalsContact CZ-CB 3.47Å; Y72-S289 WeakPolarHBondContact OH-CB 3.25Å; Y72-S289 PolarHBondContact OH-OG 3.44Å; N245-S289 WeakPolarHBondContact ND2-CB 3.24Å; N245-S289 PolarHBondContact ND2-O 3.38Å; N245-S289 PolarHBondContact OD1-OG 2.98Å; S285-S289 WeakPolarHBondContact O-CB 3.38Å; S285-S289 PolarHBondContact O-N 2.9Å; S285-S289 PolarHBondContact O-OG 3.41Å; S285-S289 VanDerWaalsContact O-OG 3.06Å; L287-S289 VanDerWaalsContact C-N 3.33Å; L287-S289 PolarHBondContact O-N 2.98Å; S289-V292 PolarHBondContact O-N 3.49Å; S289-L293 WeakPolarHBondContact O-CG 3Å; S289-L293 PolarHBondContact O-N 3.1Å
290L95.1Very high93.3Very high7 Ų746.2 Ų46.24%0.03722%0.221CC..Hα-helixtrans-64.7-40175.2-70.9167.6000111.6L42 G286 L287 V292 L293 F294L42-L290 HydrophobicContact CB-CD1 3.81Å; G286-L290 WeakPolarHBondContact O-CB 3.27Å; G286-L290 WeakPolarHBondContact O-CD1 3.38Å; G286-L290 WeakPolarHBondContact O-CG 3.4Å; G286-L290 PolarHBondContact O-N 3.07Å; L287-L290 PolarHBondContact O-N 3.36Å; L290-V292 PolarHBondContact O-N 2.85Å; L290-L293 PolarHBondContact O-N 3.3Å; L290-F294 WeakPolarHBondContact O-CB 3.45Å; L290-F294 PolarHBondContact O-N 3.14Å
291C96.6Very high93.6Very high49 Ų4948.8 Ų48.833%0.33123%0.229SC..Hα-helixtrans-59.4-45.6172.8-71.60000111.5L287 A288 L293 F294 F295L287-C291 PolarHBondContact O-N 3.12Å; L287-C291 PolarHBondContact O-SG 2.89Å; L287-C291 VanDerWaalsContact O-SG 3.34Å; A288-C291 WeakPolarHBondContact O-CB 3.32Å; A288-C291 PolarHBondContact O-N 2.89Å; C291-L293 VanDerWaalsContact C-N 3.35Å; C291-L293 PolarHBondContact O-N 2.88Å; C291-F294 PolarHBondContact O-N 3.43Å; C291-F295 HydrophobicContact CB-CD2 4.13Å; C291-F295 HydrophobicContact CB-CE2 4.02Å; C291-F295 WeakPolarHBondContact O-CB 3.44Å; C291-F295 WeakPolarHBondContact O-CD2 3.2Å; C291-F295 PolarHBondContact O-N 3.07Å
292V95.6Very high93.8Very high28 Ų2850.7 Ų50.717%0.1723%0.234CC..Hα-helixtrans-57.1-48.4176.3169.40000110.8T241 L244 N245 V248 A288 S289 L290 R296T241-V292 HydrophobicContact CG2-CG1 3.98Å; L244-V292 HydrophobicContact CB-CG1 4.13Å; N245-V292 HydrophobicContact CB-CG1 4.44Å; V248-V292 HydrophobicContact CG2-CG2 4.26Å; A288-V292 WeakPolarHBondContact O-CG2 3.02Å; A288-V292 PolarHBondContact O-N 3.4Å; S289-V292 PolarHBondContact O-N 3.49Å; L290-V292 PolarHBondContact O-N 2.85Å; V292-R296 HydrophobicContact CG1-CG 4.43Å; V292-R296 WeakPolarHBondContact O-CB 3.47Å; V292-R296 VanDerWaalsContact O-CG 3.31Å; V292-R296 WeakPolarHBondContact O-CG 3.3Å; V292-R296 PolarHBondContact O-N 2.88Å
293L94Very high93.9Very high0 Ų049.8 Ų49.80%023%0.23CC..Hα-helixtrans-61.5-46.9178.6-66.6172.6000111.6T65 T241 F242 N245 S289 L290 C291 I297 F300T65-L293 HydrophobicContact CG2-CD1 3.89Å; T65-L293 HydrophobicContact CG2-CD2 4.24Å; T241-L293 HydrophobicContact CG2-CD2 4.33Å; F242-L293 HydrophobicContact CD1-CD2 4.44Å; F242-L293 HydrophobicContact CE1-CD2 4.28Å; N245-L293 WeakPolarHBondContact ND2-CG 3.37Å; S289-L293 WeakPolarHBondContact O-CG 3Å; S289-L293 PolarHBondContact O-N 3.1Å; L290-L293 PolarHBondContact O-N 3.3Å; C291-L293 VanDerWaalsContact C-N 3.35Å; C291-L293 PolarHBondContact O-N 2.88Å; L293-I297 HydrophobicContact CD2-CD1 3.67Å; L293-I297 WeakPolarHBondContact O-CB 3.46Å; L293-I297 PolarHBondContact O-N 3.15Å; L293-F300 HydrophobicContact CB-CD1 4.13Å; L293-F300 HydrophobicContact CB-CE1 3.9Å; L293-F300 HydrophobicContact CB-CZ 4.49Å
294F94.7Very high94Very high59 Ų5949.7 Ų49.726%0.25923%0.23SC..Hα-helixtrans-64.1-44.1-178.1-173.3-96000113L290 C291 F300 R301 V304 L305L290-F294 WeakPolarHBondContact O-CB 3.45Å; L290-F294 PolarHBondContact O-N 3.14Å; C291-F294 PolarHBondContact O-N 3.43Å; F294-F300 HydrophobicContact CB-CE1 4.23Å; F294-F300 HydrophobicContact CD2-CE1 4.46Å; F294-R301 HydrophobicContact CD2-CB 4.39Å; F294-R301 HydrophobicContact CD2-CG 4.24Å; F294-R301 HydrophobicContact CE1-CG 4.11Å; F294-R301 HydrophobicContact CE2-CB 4.32Å; F294-R301 HydrophobicContact CE2-CG 3.75Å; F294-R301 HydrophobicContact CZ-CG 3.68Å; F294-V304 HydrophobicContact CD2-CG1 4.42Å; F294-V304 HydrophobicContact CE2-CB 4.25Å; F294-V304 HydrophobicContact CE2-CG1 3.99Å; F294-L305 HydrophobicContact CZ-CD2 4.38Å
295F95.4Very high94Very high140 Ų14049 Ų4961%0.61423%0.226SC*.Hα-helixtrans-77.9-34-177.2-68.2-57.2000112.9C291 R301C291-F295 HydrophobicContact CB-CD2 4.13Å; C291-F295 HydrophobicContact CB-CE2 4.02Å; C291-F295 WeakPolarHBondContact O-CB 3.44Å; C291-F295 WeakPolarHBondContact O-CD2 3.2Å; C291-F295 PolarHBondContact O-N 3.07Å; F295-R301 PolarHBondContact O-NH1 3.23Å
296R94.1Very high94Very high160 Ų16051.2 Ų51.260%0.60425%0.245SC*.Hα-helixtrans-90.8-33.1-174.5-65.9-76.1-166.3163.32114.1T241 V292T241-R296 HydrophobicContact CG2-CB 3.55Å; T241-R296 HydrophobicContact CG2-CG 4.16Å; T241-R296 WeakPolarHBondContact OG1-CB 3.36Å; V292-R296 HydrophobicContact CG1-CG 4.43Å; V292-R296 WeakPolarHBondContact O-CB 3.47Å; V292-R296 VanDerWaalsContact O-CG 3.31Å; V292-R296 WeakPolarHBondContact O-CG 3.3Å; V292-R296 PolarHBondContact O-N 2.88Å
297I92.4Very high93.9Very high6 Ų653 Ų533%0.03125%0.254CS..  trans-100102.5-175-50-177.1000109.9Y62 L238 T241 L293 E299 F300 R301Y62-I297 HydrophobicContact CE1-CG2 3.84Å; L238-I297 HydrophobicContact CD1-CD1 3.89Å; L238-I297 HydrophobicContact CD1-CG1 4.44Å; T241-I297 HydrophobicContact CG2-CD1 3.97Å; T241-I297 HydrophobicContact CG2-CG1 3.74Å; L293-I297 HydrophobicContact CD2-CD1 3.67Å; L293-I297 WeakPolarHBondContact O-CB 3.46Å; L293-I297 PolarHBondContact O-N 3.15Å; I297-E299 PolarHBondContact O-N 3.19Å; I297-F300 HydrophobicContact CB-CB 3.79Å; I297-F300 HydrophobicContact CG2-CB 3.64Å; I297-F300 PolarHBondContact O-N 3.44Å; I297-R301 PolarHBondContact O-N 3.45Å
298R92.2Very high93.6Very high167 Ų16754 Ų5463%0.6326%0.259SS*.Hα-helixtrans-58.8-46.8-178.1-174.7177.7174.1168.71.5111.4F300 R301 H302R298-F300 VanDerWaalsContact C-N 3.34Å; R298-F300 PolarHBondContact O-N 3.36Å; R298-R301 PolarHBondContact O-N 2.84Å; R298-H302 WeakPolarHBondContact CG-CE1 3.48Å; R298-H302 WeakPolarHBondContact CG-ND1 3.3Å; R298-H302 PolarHBondContact NE-CE1 3.32Å; R298-H302 PolarHBondContact O-N 2.93Å; R298-H302 PolarHBondContact O-ND1 3.15Å
299E91.8Very high93.4Very high86 Ų8660.4 Ų60.440%0.40228%0.275SS..Hα-helixtrans-64.7-39.6-176.7-57.493.4145.100112.1L56 Y62 I297 H302 A303L56-E299 HydrophobicContact CD2-CB 3.78Å; Y62-E299 PolarHBondContact OH-OE2 3.32Å; I297-E299 PolarHBondContact O-N 3.19Å; E299-H302 PolarHBondContact O-N 3.32Å; E299-A303 PolarHBondContact O-N 3.25Å
300F91.8Very high92.6Very high2 Ų265.8 Ų65.81%0.00930%0.304CS..Hα-helixtrans-63-47.7174.5174.5-105.5000111.1S46 I50 Y62 L293 F294 I297 R298 H302 A303 V304S46-F300 WeakPolarHBondContact OG-CZ 3.49Å; I50-F300 HydrophobicContact CD1-CD2 3.94Å; I50-F300 HydrophobicContact CD1-CE2 3.83Å; I50-F300 HydrophobicContact CG1-CD2 3.94Å; I50-F300 HydrophobicContact CG1-CE2 4.08Å; Y62-F300 HydrophobicContact CE1-CB 4.43Å; L293-F300 HydrophobicContact CB-CD1 4.13Å; L293-F300 HydrophobicContact CB-CE1 3.9Å; L293-F300 HydrophobicContact CB-CZ 4.49Å; F294-F300 HydrophobicContact CB-CE1 4.23Å; F294-F300 HydrophobicContact CD2-CE1 4.46Å; I297-F300 HydrophobicContact CB-CB 3.79Å; I297-F300 HydrophobicContact CG2-CB 3.64Å; I297-F300 PolarHBondContact O-N 3.44Å; R298-F300 VanDerWaalsContact C-N 3.34Å; R298-F300 PolarHBondContact O-N 3.36Å; F300-H302 VanDerWaalsContact C-N 3.31Å; F300-H302 PolarHBondContact O-N 3.03Å; F300-A303 PolarHBondContact O-N 3.46Å; F300-A303 VanDerWaalsContact O-N 3.17Å; F300-V304 HydrophobicContact CD2-CG2 4.43Å; F300-V304 HydrophobicContact CE1-CG2 4.15Å; F300-V304 HydrophobicContact CE2-CG2 4.07Å; F300-V304 HydrophobicContact CZ-CG2 3.93Å; F300-V304 WeakPolarHBondContact O-CG2 3.27Å; F300-V304 PolarHBondContact O-N 2.95Å
301R95Very high91.6Very high79 Ų7973.8 Ų73.830%0.29833%0.333SS..Hα-helixtrans-56.9-43.1175-178.3168.371.5-138.79.2112.7F294 F295 I297 R298 V304 L305F294-R301 HydrophobicContact CD2-CB 4.39Å; F294-R301 HydrophobicContact CD2-CG 4.24Å; F294-R301 HydrophobicContact CE1-CG 4.11Å; F294-R301 HydrophobicContact CE2-CB 4.32Å; F294-R301 HydrophobicContact CE2-CG 3.75Å; F294-R301 HydrophobicContact CZ-CG 3.68Å; F295-R301 PolarHBondContact O-NH1 3.23Å; I297-R301 PolarHBondContact O-N 3.45Å; R298-R301 PolarHBondContact O-N 2.84Å; R301-V304 PolarHBondContact O-N 2.93Å; R301-L305 HydrophobicContact CG-CD1 3.86Å; R301-L305 HydrophobicContact CG-CG 4.31Å; R301-L305 WeakPolarHBondContact O-CB 3.5Å; R301-L305 VanDerWaalsContact O-CG 3.28Å; R301-L305 WeakPolarHBondContact O-CG 3.18Å; R301-L305 PolarHBondContact O-N 3.44Å
302H94.5Very high90.6Very high89 Ų8977.2 Ų77.241%0.41235%0.345SS..Hα-helixtrans-64.8-41179-73.859.7000111.2R298 E299 F300 L305 A306R298-H302 WeakPolarHBondContact CG-CE1 3.48Å; R298-H302 WeakPolarHBondContact CG-ND1 3.3Å; R298-H302 PolarHBondContact NE-CE1 3.32Å; R298-H302 PolarHBondContact O-N 2.93Å; R298-H302 PolarHBondContact O-ND1 3.15Å; E299-H302 PolarHBondContact O-N 3.32Å; F300-H302 VanDerWaalsContact C-N 3.31Å; F300-H302 PolarHBondContact O-N 3.03Å; H302-L305 PolarHBondContact O-N 3.45Å; H302-A306 WeakPolarHBondContact O-CB 3.28Å; H302-A306 PolarHBondContact O-N 2.91Å
303A92.9Very high89.6Confident5 Ų578.4 Ų78.44%0.04136%0.357CS..Hα-helixtrans-64.3-44176.800000112.3A49 D53 L56 E299 F300 A306 L307A49-A303 HydrophobicContact CB-CB 4.19Å; D53-A303 HydrophobicContact CB-CB 4.2Å; L56-A303 HydrophobicContact CD1-CB 3.48Å; L56-A303 VanDerWaalsContact CD1-CB 3.48Å; E299-A303 PolarHBondContact O-N 3.25Å; F300-A303 PolarHBondContact O-N 3.46Å; F300-A303 VanDerWaalsContact O-N 3.17Å; A303-A306 PolarHBondContact O-N 3.07Å; A303-L307 WeakPolarHBondContact O-CB 3.08Å; A303-L307 PolarHBondContact O-N 3.04Å
304V93.7Very high88.5Confident9 Ų981.1 Ų81.16%0.05538%0.38CS..Hα-helixtrans-61.6-49176.4171.90000110.8I45 A49 F294 F300 R301 A306 L307 L308I45-V304 HydrophobicContact CG2-CG1 4.08Å; A49-V304 HydrophobicContact CB-CB 4.43Å; A49-V304 HydrophobicContact CB-CG2 3.81Å; F294-V304 HydrophobicContact CD2-CG1 4.42Å; F294-V304 HydrophobicContact CE2-CB 4.25Å; F294-V304 HydrophobicContact CE2-CG1 3.99Å; F300-V304 HydrophobicContact CD2-CG2 4.43Å; F300-V304 HydrophobicContact CE1-CG2 4.15Å; F300-V304 HydrophobicContact CE2-CG2 4.07Å; F300-V304 HydrophobicContact CZ-CG2 3.93Å; F300-V304 WeakPolarHBondContact O-CG2 3.27Å; F300-V304 PolarHBondContact O-N 2.95Å; R301-V304 PolarHBondContact O-N 2.93Å; V304-A306 VanDerWaalsContact C-N 3.34Å; V304-A306 PolarHBondContact O-N 3.35Å; V304-L307 PolarHBondContact O-N 2.78Å; V304-L308 HydrophobicContact CG1-CD1 4.19Å; V304-L308 WeakPolarHBondContact O-CG 3.45Å; V304-L308 PolarHBondContact O-N 3.39Å
305L93.9Very high87Confident63 Ų6382.2 Ų82.233%0.3339%0.391SS..Hα-helixtrans-65.2-36.3178.5-68.1175.6000112.5F294 R301 H302 L308 R309F294-L305 HydrophobicContact CZ-CD2 4.38Å; R301-L305 HydrophobicContact CG-CD1 3.86Å; R301-L305 HydrophobicContact CG-CG 4.31Å; R301-L305 WeakPolarHBondContact O-CB 3.5Å; R301-L305 VanDerWaalsContact O-CG 3.28Å; R301-L305 WeakPolarHBondContact O-CG 3.18Å; R301-L305 PolarHBondContact O-N 3.44Å; H302-L305 PolarHBondContact O-N 3.45Å; L305-L308 PolarHBondContact O-N 3.41Å; L305-R309 VanDerWaalsContact O-CG 3.3Å; L305-R309 WeakPolarHBondContact O-CG 3.17Å; L305-R309 PolarHBondContact O-N 3.31Å
306A92Very high85.4Confident47 Ų4780.9 Ų80.939%0.38839%0.39SS..Hα-helixtrans-64.5-42.1175.200000111.4H302 A303 V304 R309 L310H302-A306 WeakPolarHBondContact O-CB 3.28Å; H302-A306 PolarHBondContact O-N 2.91Å; A303-A306 PolarHBondContact O-N 3.07Å; V304-A306 VanDerWaalsContact C-N 3.34Å; V304-A306 PolarHBondContact O-N 3.35Å; A306-R309 PolarHBondContact O-N 3.22Å; A306-L310 WeakPolarHBondContact O-CB 3.23Å; A306-L310 VanDerWaalsContact O-CG 3.28Å; A306-L310 WeakPolarHBondContact O-CG 3.37Å; A306-L310 PolarHBondContact O-N 2.95Å
307L91.1Very high83.7Confident38 Ų3878 Ų7820%0.19939%0.39CS..Hα-helixtrans-62.3-43.7175.7-177.162.8000111.8I45 A49 I52 A303 V304 L310 R311I45-L307 HydrophobicContact CG2-CD2 4.31Å; A49-L307 HydrophobicContact CB-CB 4.43Å; A49-L307 HydrophobicContact CB-CD2 4.04Å; I52-L307 HydrophobicContact CD1-CD1 3.51Å; A303-L307 WeakPolarHBondContact O-CB 3.08Å; A303-L307 PolarHBondContact O-N 3.04Å; V304-L307 PolarHBondContact O-N 2.78Å; L307-L310 PolarHBondContact O-N 2.98Å; L307-R311 PolarHBondContact O-N 2.94Å; L307-R311 VanDerWaalsContact O-N 3.09Å
308L89.9Confident82Confident64 Ų6481.7 Ų81.734%0.33541%0.413SS..Hα-helixtrans-63.6-42.5177.8-68174.5000111.9I45 V304 L305 R311 E312I45-L308 HydrophobicContact CD1-CD2 4.4Å; I45-L308 HydrophobicContact CG2-CD2 4.41Å; V304-L308 HydrophobicContact CG1-CD1 4.19Å; V304-L308 WeakPolarHBondContact O-CG 3.45Å; V304-L308 PolarHBondContact O-N 3.39Å; L305-L308 PolarHBondContact O-N 3.41Å; L308-R311 WeakPolarHBondContact O-CB 3.18Å; L308-R311 PolarHBondContact O-N 2.04Å; L308-E312 PolarHBondContact O-N 3.25Å
309R89.7Confident80.3Confident170 Ų17076.8 Ų76.864%0.64240%0.404SS*.Hα-helixtrans-66.2-38.4175.7-71.7174.3-174.5178.5-0113.3L305 A306 R311 E312 A313L305-R309 VanDerWaalsContact O-CG 3.3Å; L305-R309 WeakPolarHBondContact O-CG 3.17Å; L305-R309 PolarHBondContact O-N 3.31Å; A306-R309 PolarHBondContact O-N 3.22Å; R309-R311 PolarHBondContact O-N 3.36Å; R309-E312 PolarHBondContact O-N 3.31Å; R309-A313 PolarHBondContact O-N 3.46Å
310L77.9Confident78.5Confident113 Ų11375.6 Ų75.659%0.59241%0.405SS*.Hα-helixtrans-61.9-36.3174.5-75.8170.2000111.1A306 L307 A314A306-L310 WeakPolarHBondContact O-CB 3.23Å; A306-L310 VanDerWaalsContact O-CG 3.28Å; A306-L310 WeakPolarHBondContact O-CG 3.37Å; A306-L310 PolarHBondContact O-N 2.95Å; L307-L310 PolarHBondContact O-N 2.98Å; L310-A314 WeakPolarHBondContact O-CB 3.33Å; L310-A314 PolarHBondContact O-N 3.22Å
311R74.1Confident76.8Confident175 Ų17578.1 Ų78.166%0.6642%0.423SS*.Hα-helixtrans-66.2-44.8175.1-164.7179.9-175.4-174.91.3111.4L307 L308 R309 A313 A314 T315L307-R311 PolarHBondContact O-N 2.94Å; L307-R311 VanDerWaalsContact O-N 3.09Å; L308-R311 WeakPolarHBondContact O-CB 3.18Å; L308-R311 PolarHBondContact O-N 2.04Å; R309-R311 PolarHBondContact O-N 3.36Å; R311-A313 PolarHBondContact O-N 2.91Å; R311-A314 PolarHBondContact O-N 3.43Å; R311-T315 WeakPolarHBondContact O-CB 3.46Å; R311-T315 PolarHBondContact O-N 3.35Å; R311-T315 PolarHBondContact O-OG1 2.83Å
312E76.9Confident74.7Confident121 Ų12183.2 Ų83.257%0.56544%0.443SS*.Hα-helixtrans-58.4-47.3175.7-71168.5-177.600111.7L308 R309 A314 T315 I316L308-E312 PolarHBondContact O-N 3.25Å; R309-E312 PolarHBondContact O-N 3.31Å; E312-A314 PolarHBondContact O-N 3.17Å; E312-T315 PolarHBondContact O-N 3.08Å; E312-I316 VanDerWaalsContact O-CG1 3.31Å; E312-I316 WeakPolarHBondContact O-CG1 3.4Å; E312-I316 PolarHBondContact O-N 3.2Å
313A73.5Confident72.8Confident53 Ų5384.9 Ų84.944%0.43845%0.454SS..Hα-helixtrans-61.5-42.8177.800000112.2R309 R311 I316 T317R309-A313 PolarHBondContact O-N 3.46Å; R311-A313 PolarHBondContact O-N 2.91Å; A313-I316 PolarHBondContact O-N 3.14Å; A313-T317 PolarHBondContact O-N 3.15Å; A313-T317 PolarHBondContact O-OG1 3.19Å
314A70.9Confident71.1Confident57 Ų5790.9 Ų90.947%0.47148%0.481SS..Hα-helixtrans-66.2-36.9177.200000112.6L310 R311 E312 T318L310-A314 WeakPolarHBondContact O-CB 3.33Å; L310-A314 PolarHBondContact O-N 3.22Å; R311-A314 PolarHBondContact O-N 3.43Å; E312-A314 PolarHBondContact O-N 3.17Å; A314-T318 PolarHBondContact O-N 2.92Å; A314-T318 VanDerWaalsContact O-N 3.16Å; A314-T318 PolarHBondContact O-OG1 3.39Å
315T64.3Low69.3Low82 Ų8297 Ų9750%0.50351%0.509SS..Hα-helixtrans-67.6-39.2176.5-58.60000111.8R311 E312 T318 S319R311-T315 WeakPolarHBondContact O-CB 3.46Å; R311-T315 PolarHBondContact O-N 3.35Å; R311-T315 PolarHBondContact O-OG1 2.83Å; E312-T315 PolarHBondContact O-N 3.08Å; T315-T318 WeakPolarHBondContact CA-OG1 3.46Å; T315-T318 PolarHBondContact O-N 2.98Å; T315-T318 PolarHBondContact O-OG1 3.21Å; T315-T318 VanDerWaalsContact O-OG1 3.06Å; T315-S319 PolarHBondContact O-N 2.99Å; T315-S319 PolarHBondContact O-OG 3.37Å
316I60.7Low67.5Low113 Ų11398.1 Ų98.158%0.57952%0.518SS*.Hα-helixtrans-64.5-47.6177.1-66.5164.1000110.6E312 A313 T318 S319 S320E312-I316 VanDerWaalsContact O-CG1 3.31Å; E312-I316 WeakPolarHBondContact O-CG1 3.4Å; E312-I316 PolarHBondContact O-N 3.2Å; A313-I316 PolarHBondContact O-N 3.14Å; I316-T318 VanDerWaalsContact C-N 3.32Å; I316-T318 PolarHBondContact O-N 2.97Å; I316-S319 PolarHBondContact O-N 3.36Å; I316-S319 PolarHBondContact O-OG 3.28Å; I316-S320 PolarHBondContact O-N 3.16Å
317T58.5Low65.9Low99 Ų9999.5 Ų99.561%0.60752%0.522SS*.Hα-helixtrans-61.4-39.2180-51.60000112.4A313 S321A313-T317 PolarHBondContact O-N 3.15Å; A313-T317 PolarHBondContact O-OG1 3.19Å; T317-S321 PolarHBondContact O-N 3.01Å; T317-S321 VanDerWaalsContact O-N 3.16Å; T317-S321 PolarHBondContact O-OG 2.75Å
318T57Low64.3Low84 Ų84101.6 Ų101.652%0.51554%0.537SS..Hα-helixtrans-73.8-31.1177.844.30000113.4A314 T315 I316 S321 R322A314-T318 PolarHBondContact O-N 2.92Å; A314-T318 VanDerWaalsContact O-N 3.16Å; A314-T318 PolarHBondContact O-OG1 3.39Å; T315-T318 WeakPolarHBondContact CA-OG1 3.46Å; T315-T318 PolarHBondContact O-N 2.98Å; T315-T318 PolarHBondContact O-OG1 3.21Å; T315-T318 VanDerWaalsContact O-OG1 3.06Å; I316-T318 VanDerWaalsContact C-N 3.32Å; I316-T318 PolarHBondContact O-N 2.97Å; T318-S321 PolarHBondContact O-OG 3.5Å; T318-S321 VanDerWaalsContact O-OG 3.1Å; T318-R322 PolarHBondContact O-N 3.15Å
319S56.8Low62.6Low64 Ų64102 Ų10245%0.44855%0.545SS..Hα-helixtrans-70.6-38.9171.766.60000112.5T315 I316 R322 L323T315-S319 PolarHBondContact O-N 2.99Å; T315-S319 PolarHBondContact O-OG 3.37Å; I316-S319 PolarHBondContact O-N 3.36Å; I316-S319 PolarHBondContact O-OG 3.28Å; S319-R322 PolarHBondContact O-N 2.71Å; S319-L323 PolarHBondContact O-N 3.06Å
320S53.3Low61Low61 Ų6198 Ų9843%0.42754%0.539SS..Hα-helixtrans-64.2-43.6178.4-167.60000111.2I316 R322 L323 E324I316-S320 PolarHBondContact O-N 3.16Å; S320-R322 PolarHBondContact O-N 3.1Å; S320-L323 PolarHBondContact O-N 2.93Å; S320-E324 PolarHBondContact O-N 3.31Å
321S56.9Low60Low55 Ų5599.8 Ų99.839%0.38554%0.542SS..Hα-helixtrans-67.2-34.8177.964.90000112.9T317 T318 Q325T317-S321 PolarHBondContact O-N 3.01Å; T317-S321 VanDerWaalsContact O-N 3.16Å; T317-S321 PolarHBondContact O-OG 2.75Å; T318-S321 PolarHBondContact O-OG 3.5Å; T318-S321 VanDerWaalsContact O-OG 3.1Å; S321-Q325 WeakPolarHBondContact O-CB 3.45Å; S321-Q325 WeakPolarHBondContact O-CG 3.43Å; S321-Q325 PolarHBondContact O-N 2.78Å
322R51Low59.2Low186 Ų18696.6 Ų96.670%0.70254%0.537SS*.Hα-helixtrans-67.4-39171.2-82.6-172.9176-177.6-0.5112.5T318 S319 S320 Q325 T326T318-R322 PolarHBondContact O-N 3.15Å; S319-R322 PolarHBondContact O-N 2.71Å; S320-R322 PolarHBondContact O-N 3.1Å; R322-Q325 PolarHBondContact O-N 2.95Å; R322-T326 WeakPolarHBondContact O-CB 3.13Å; R322-T326 PolarHBondContact O-N 3.24Å; R322-T326 PolarHBondContact O-OG1 2.73Å
323L54.8Low58.3Low124 Ų12494.5 Ų94.565%0.64953%0.533SS*.Hα-helixtrans-65.1-43.7176.2-138.396.2000110.4S319 S320 Q325 T326 V327S319-L323 PolarHBondContact O-N 3.06Å; S320-L323 PolarHBondContact O-N 2.93Å; L323-Q325 PolarHBondContact O-N 3.08Å; L323-T326 PolarHBondContact O-N 3.29Å; L323-V327 VanDerWaalsContact O-CG2 3.29Å; L323-V327 WeakPolarHBondContact O-CG2 3.39Å; L323-V327 PolarHBondContact O-N 3.31Å
324E55.9Low57.5Low131 Ų13195 Ų9561%0.61254%0.537SS*.Hα-helixtrans-61.6-42.7175.4-78.1179.4151.900112.3S320 T326 V327 T328S320-E324 PolarHBondContact O-N 3.31Å; E324-T326 VanDerWaalsContact C-N 3.34Å; E324-T326 PolarHBondContact O-N 3.35Å; E324-V327 PolarHBondContact O-N 2.75Å; E324-T328 PolarHBondContact O-N 3.04Å; E324-T328 PolarHBondContact O-OG1 3.03Å
325Q56Low56.8Low137 Ų137100.4 Ų100.464%0.6455%0.55SS*.Hα-helixtrans-63.8-37.6174-81.2-175.8-30.400112.5S321 R322 L323 T328 S329S321-Q325 WeakPolarHBondContact O-CB 3.45Å; S321-Q325 WeakPolarHBondContact O-CG 3.43Å; S321-Q325 PolarHBondContact O-N 2.78Å; R322-Q325 PolarHBondContact O-N 2.95Å; L323-Q325 PolarHBondContact O-N 3.08Å; Q325-T328 WeakPolarHBondContact CA-OG1 3.01Å; Q325-T328 PolarHBondContact O-OG1 3.06Å; Q325-S329 VanDerWaalsContact O-CB 3.32Å; Q325-S329 WeakPolarHBondContact O-CB 3.13Å; Q325-S329 PolarHBondContact O-N 2.89Å
326T57.1Low56.5Low86 Ų86104 Ų10453%0.52856%0.561SS.*Hα-helixtrans-68.8-44.9178-50.40000110.4R322 L323 E324 T328 S329 T330R322-T326 WeakPolarHBondContact O-CB 3.13Å; R322-T326 PolarHBondContact O-N 3.24Å; R322-T326 PolarHBondContact O-OG1 2.73Å; L323-T326 PolarHBondContact O-N 3.29Å; E324-T326 VanDerWaalsContact C-N 3.34Å; E324-T326 PolarHBondContact O-N 3.35Å; T326-T328 PolarHBondContact O-N 3.09Å; T326-S329 PolarHBondContact O-N 3.27Å; T326-T330 PolarHBondContact O-N 3.1Å; T326-T330 PolarHBondContact O-OG1 3.06Å
327V57.3Low56.2Low76 Ų76107.7 Ų107.746%0.46157%0.573SS.*Hα-helixtrans-65.3-38.5178.6173.80000111.9L323 E324 K331L323-V327 VanDerWaalsContact O-CG2 3.29Å; L323-V327 WeakPolarHBondContact O-CG2 3.39Å; L323-V327 PolarHBondContact O-N 3.31Å; E324-V327 PolarHBondContact O-N 2.75Å; V327-K331 PolarHBondContact O-N 2.71Å; V327-K331 VanDerWaalsContact O-N 3.09Å
328T57.4Low55.7Low83 Ų83114 Ų11451%0.50960%0.595SS.*Hα-helixtrans-67-40.2173260000111.7E324 Q325 T326 K331 I332E324-T328 PolarHBondContact O-N 3.04Å; E324-T328 PolarHBondContact O-OG1 3.03Å; Q325-T328 WeakPolarHBondContact CA-OG1 3.01Å; Q325-T328 PolarHBondContact O-OG1 3.06Å; T326-T328 PolarHBondContact O-N 3.09Å; T328-K331 PolarHBondContact O-N 3.28Å; T328-I332 WeakPolarHBondContact O-CG1 3Å; T328-I332 PolarHBondContact O-N 3.33Å
329S55.6Low55.6Low72 Ų72115.6 Ų115.650%0.50360%0.599SS.*Hα-helixtrans-62.5-44.5175.5-174.30000112.3Q325 T326 K331 I332 T333Q325-S329 VanDerWaalsContact O-CB 3.32Å; Q325-S329 WeakPolarHBondContact O-CB 3.13Å; Q325-S329 PolarHBondContact O-N 2.89Å; T326-S329 PolarHBondContact O-N 3.27Å; S329-K331 PolarHBondContact O-N 2.97Å; S329-I332 PolarHBondContact O-N 3.19Å; S329-T333 PolarHBondContact O-N 2.63Å; S329-T333 PolarHBondContact O-OG1 3.49Å
330T56.2Low55.5Low87 Ų87118.3 Ų118.353%0.53461%0.607SS.*Hα-helixtrans-67.4-34.1178.6-34.20000112.6T326 I332 T333 A334T326-T330 PolarHBondContact O-N 3.1Å; T326-T330 PolarHBondContact O-OG1 3.06Å; T330-I332 VanDerWaalsContact C-N 3.31Å; T330-I332 PolarHBondContact O-N 3.26Å; T330-T333 PolarHBondContact O-N 2.02Å; T330-A334 PolarHBondContact O-N 2.7Å
331K56.7Low55.7Low149 Ų149121.4 Ų121.465%0.64862%0.617SS**Hα-helixtrans-66.7-32174.6-84.4-175.1177.8179.40112.8V327 T328 S329 K335V327-K331 PolarHBondContact O-N 2.71Å; V327-K331 VanDerWaalsContact O-N 3.09Å; T328-K331 PolarHBondContact O-N 3.28Å; S329-K331 PolarHBondContact O-N 2.97Å; K331-K335 PolarHBondContact O-N 2.9Å
332I56.5Low55.6Low109 Ų109125.4 Ų125.456%0.55963%0.631SS**Hα-helixtrans-69.9-43.2175.4-64.7164.6000109.7T328 S329 T330 A334 K335 E336T328-I332 WeakPolarHBondContact O-CG1 3Å; T328-I332 PolarHBondContact O-N 3.33Å; S329-I332 PolarHBondContact O-N 3.19Å; T330-I332 VanDerWaalsContact C-N 3.31Å; T330-I332 PolarHBondContact O-N 3.26Å; I332-A334 VanDerWaalsContact C-N 3.32Å; I332-A334 PolarHBondContact O-N 3Å; I332-K335 PolarHBondContact O-N 3.24Å; I332-E336 PolarHBondContact O-N 3.02Å
333T57.6Low55.9Low77 Ų77121.6 Ų121.647%0.47263%0.627SS.*Hα-helixtrans-67.5-30.6178.6-13.10000113.3S329 T330S329-T333 PolarHBondContact O-N 2.63Å; S329-T333 PolarHBondContact O-OG1 3.49Å; T330-T333 PolarHBondContact O-N 2.02Å
334A57.6Low55.9Low63 Ų63121.4 Ų121.452%0.52163%0.625SS.*Hα-helixtrans-71.5-30.817600000112.7T330 I332T330-A334 PolarHBondContact O-N 2.7Å; I332-A334 VanDerWaalsContact C-N 3.32Å; I332-A334 PolarHBondContact O-N 3Å
335K56.9Low56Low170 Ų170120.7 Ų120.774%0.73963%0.626SS**Hα-helixtrans-75-24.9176.2-87.3-170.9173-172.50113.7K331 I332 K337K331-K335 PolarHBondContact O-N 2.9Å; I332-K335 PolarHBondContact O-N 3.24Å; K335-K337 VanDerWaalsContact C-N 3.29Å; K335-K337 PolarHBondContact O-N 2.99Å
336E57.4Low55.9Low158 Ų158119.5 Ų119.574%0.73863%0.625SS**THydrogen-bonded Turntrans-80.3-5.7176.2-77.5-177.7152.200114I332I332-E336 PolarHBondContact O-N 3.02Å
337K53.7Low55.9Low190 Ų190122.3 Ų122.383%0.82663%0.633SS**THydrogen-bonded Turntrans-103.46176.9-78.7-169.3176.6-175.50114.6K335K335-K337 VanDerWaalsContact C-N 3.29Å; K335-K337 PolarHBondContact O-N 2.99Å
338Q47.6Very low55.7Low233 Ų233126.5 Ų126.5100%1.08965%0.649SS**  trans-1050172.7-106.3-177.2-27.600110.4

Retrieved 338 of 338 residues in 316.6 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).