A0A096M6P0_POEFO Loading...

Sodium/potassium-transporting ATPase subunit beta-1-interacting protein

AlphaFold DB , UniProt , Accession A0A096M6P0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 207 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
1M45.8Very low70.8Confident253 Ų25387.3 Ų87.3100%1.24649%0.489SS*.  0120.90-87.8152.2143.200109
2G45.8Very low72.4Confident78 Ų7887.1 Ų87.180%0.80449%0.491SS*.  trans117.1-4.3145.300000121C4G2-C4 PolarHBondContact O-N 3.29Å
3K50Low73.8Confident214 Ų21481.8 Ų81.893%0.9346%0.461SS*.  trans-80.979167.1-94.3176.4166.9167.70108.4D5K3-D5 PolarHBondContact O-N 3.48Å; K3-D5 VanDerWaalsContact O-N 3.1Å
4C57.7Low74.9Confident90 Ų9076 Ų7661%0.60843%0.428SS*.  trans-56.2116.9161.6-101.70000106.7G2 C8G2-C4 PolarHBondContact O-N 3.29Å; C4-C8 HydrophobicContact CB-CB 4.11Å
5D75.5Confident76Confident83 Ų8375 Ų7544%0.44443%0.428SS..  trans-51.5146.3172.3-175.619.7000109.3K3 R7 C8K3-D5 PolarHBondContact O-N 3.48Å; K3-D5 VanDerWaalsContact O-N 3.1Å; D5-R7 PolarHBondContact O-N 3.25Å; D5-R7 WeakPolarHBondContact OD2-CD 3.22Å; D5-R7 WeakPolarHBondContact OD2-CG 3.3Å; D5-R7 IonicContact OD2-CZ 2.76Å; D5-R7 IonicContact OD2-NE 2.76Å; D5-R7 PolarHBondContact OD2-NE 2.77Å; D5-R7 IonicContact OD2-NH1 3.24Å; D5-C8 PolarHBondContact O-N 2.84Å
6G76.5Confident76.9Confident11 Ų1176.4 Ų76.411%0.11343%0.433CS..Hα-helixtrans-54.7-23-175.100000113.2T9 L10G6-T9 PolarHBondContact O-N 2.87Å; G6-L10 PolarHBondContact O-N 3.08Å
7R80.6Confident77.7Confident70 Ų7072.2 Ų72.226%0.26441%0.409SS..Hα-helixtrans-65.2-44.6173.8-54.4177.6-168.1162.1-5.2113.1D5 T9 L10 L11 T54 V167 F171D5-R7 PolarHBondContact O-N 3.25Å; D5-R7 WeakPolarHBondContact OD2-CD 3.22Å; D5-R7 WeakPolarHBondContact OD2-CG 3.3Å; D5-R7 IonicContact OD2-CZ 2.76Å; D5-R7 IonicContact OD2-NE 2.76Å; D5-R7 PolarHBondContact OD2-NE 2.77Å; D5-R7 IonicContact OD2-NH1 3.24Å; R7-T9 VanDerWaalsContact C-N 3.3Å; R7-T9 PolarHBondContact O-N 2.79Å; R7-L10 PolarHBondContact O-N 3.44Å; R7-L11 WeakPolarHBondContact O-CG 3.32Å; R7-L11 PolarHBondContact O-N 2.8Å; R7-T54 HydrophobicContact CB-CG2 4.35Å; R7-V167 HydrophobicContact CG-CG1 4.44Å; R7-F171 HydrophobicContact CG-CZ 4.32Å; R7-F171 VanDerWaalsContact NE-CE1 3.32Å
8C85.1Confident78.4Confident60 Ų6070.5 Ų70.541%0.40540%0.398SS..Hα-helixtrans-62.9-41.5176.9-69.40000110.6C4 D5 L11 V12C4-C8 HydrophobicContact CB-CB 4.11Å; D5-C8 PolarHBondContact O-N 2.84Å; C8-L11 PolarHBondContact O-N 3.22Å; C8-V12 WeakPolarHBondContact O-CG2 3.46Å; C8-V12 PolarHBondContact O-N 3.48Å
9T86.6Confident79.1Confident42 Ų4271.6 Ų71.626%0.25841%0.407SS..Hα-helixtrans-64-42.6176.7-48.70000111.5G6 R7 V12 I13 Y163G6-T9 PolarHBondContact O-N 2.87Å; R7-T9 VanDerWaalsContact C-N 3.3Å; R7-T9 PolarHBondContact O-N 2.79Å; T9-V12 PolarHBondContact O-N 3.39Å; T9-I13 HydrophobicContact CG2-CD1 4.1Å; T9-I13 VanDerWaalsContact O-CG1 3.29Å; T9-I13 WeakPolarHBondContact O-CG1 3.39Å; T9-I13 PolarHBondContact O-N 3.29Å; T9-Y163 HydrophobicContact CG2-CD1 4.17Å; T9-Y163 HydrophobicContact CG2-CE1 3.63Å; T9-Y163 HydrophobicContact CG2-CE2 4.13Å
10L87Confident79.6Confident0 Ų068.7 Ų68.70%039%0.392CS..Hα-helixtrans-61.7-43.8175.6-177.662.1000112G6 R7 V12 I13 C14 T54 L62 A164 V167G6-L10 PolarHBondContact O-N 3.08Å; R7-L10 PolarHBondContact O-N 3.44Å; L10-V12 PolarHBondContact O-N 3.04Å; L10-I13 PolarHBondContact O-N 3.32Å; L10-C14 PolarHBondContact O-N 3.48Å; L10-C14 PolarHBondContact O-SG 3Å; L10-C14 VanDerWaalsContact O-SG 3.33Å; L10-T54 HydrophobicContact CD2-CG2 4.04Å; L10-L62 HydrophobicContact CD2-CD2 4.01Å; L10-A164 HydrophobicContact CD1-CB 4.37Å; L10-V167 HydrophobicContact CB-CG2 4.4Å; L10-V167 HydrophobicContact CD2-CB 4.07Å; L10-V167 HydrophobicContact CD2-CG1 4.22Å; L10-V167 HydrophobicContact CD2-CG2 4.03Å
11L88.6Confident80Confident59 Ų5965.4 Ų65.431%0.30937%0.373SS..Hα-helixtrans-63.1-40176.9-71.1175.4000112.5R7 C8 C14 S15 M51 T54R7-L11 WeakPolarHBondContact O-CG 3.32Å; R7-L11 PolarHBondContact O-N 2.8Å; C8-L11 PolarHBondContact O-N 3.22Å; L11-C14 PolarHBondContact O-N 3.36Å; L11-S15 WeakPolarHBondContact O-CB 3.47Å; L11-S15 PolarHBondContact O-N 3.34Å; L11-S15 PolarHBondContact O-OG 3.42Å; L11-M51 HydrophobicContact CD2-CB 4.43Å; L11-M51 HydrophobicContact CD2-CG 4.35Å; L11-T54 HydrophobicContact CD2-CG2 4.3Å; L11-T54 HydrophobicContact CG-CG2 4.33Å
12V90.1Very high82.1Confident85 Ų8557.3 Ų57.352%0.51533%0.334SS..Hα-helixtrans-62.3-44.6173.81710000110.5C8 T9 L10 S15 L16C8-V12 WeakPolarHBondContact O-CG2 3.46Å; C8-V12 PolarHBondContact O-N 3.48Å; T9-V12 PolarHBondContact O-N 3.39Å; L10-V12 PolarHBondContact O-N 3.04Å; V12-S15 WeakPolarHBondContact O-CB 3.41Å; V12-S15 PolarHBondContact O-N 3Å; V12-L16 HydrophobicContact CG1-CD1 4.17Å; V12-L16 WeakPolarHBondContact O-CG 3.39Å; V12-L16 PolarHBondContact O-N 3.43Å
13I90Very high84.1Confident19 Ų1959.1 Ų59.110%0.09732%0.322CS..Hα-helixtrans-62.9-45.6178-67.6164.5000111.2T9 L10 S15 L16 Q17 F159 Y163T9-I13 HydrophobicContact CG2-CD1 4.1Å; T9-I13 VanDerWaalsContact O-CG1 3.29Å; T9-I13 WeakPolarHBondContact O-CG1 3.39Å; T9-I13 PolarHBondContact O-N 3.29Å; L10-I13 PolarHBondContact O-N 3.32Å; I13-S15 VanDerWaalsContact C-N 3.27Å; I13-S15 PolarHBondContact O-N 3.05Å; I13-L16 PolarHBondContact O-N 3.13Å; I13-Q17 WeakPolarHBondContact O-CG 3.4Å; I13-Q17 PolarHBondContact O-N 3.31Å; I13-F159 HydrophobicContact CD1-CB 4.43Å; I13-Y163 HydrophobicContact CD1-CD2 3.26Å; I13-Y163 HydrophobicContact CD1-CE2 3.7Å; I13-Y163 HydrophobicContact CD1-CG 3.83Å
14C89.9Confident85.6Confident0 Ų049.5 Ų49.50%028%0.28CS..Hα-helixtrans-60.3-38.1175.2-700000112L10 L11 Q17 L18 V47 M51L10-C14 PolarHBondContact O-N 3.48Å; L10-C14 PolarHBondContact O-SG 3Å; L10-C14 VanDerWaalsContact O-SG 3.33Å; L11-C14 PolarHBondContact O-N 3.36Å; C14-Q17 PolarHBondContact O-N 3.04Å; C14-L18 WeakPolarHBondContact O-CB 2.93Å; C14-L18 PolarHBondContact O-N 2.9Å; C14-V47 HydrophobicContact CB-CG1 4.01Å; C14-V47 WeakPolarHBondContact O-CG1 3.33Å; C14-M51 HydrophobicContact CB-CG 3.61Å; C14-M51 HydrophobicContact CB-SD 4.1Å
15S90.5Very high87Confident61 Ų6146.2 Ų46.243%0.42726%0.255SS..Hα-helixtrans-66-43177.1-56.10000111.2L11 V12 I13 L18 V19L11-S15 WeakPolarHBondContact O-CB 3.47Å; L11-S15 PolarHBondContact O-N 3.34Å; L11-S15 PolarHBondContact O-OG 3.42Å; V12-S15 WeakPolarHBondContact O-CB 3.41Å; V12-S15 PolarHBondContact O-N 3Å; I13-S15 VanDerWaalsContact C-N 3.27Å; I13-S15 PolarHBondContact O-N 3.05Å; S15-L18 PolarHBondContact O-N 3.47Å; S15-V19 WeakPolarHBondContact O-CG2 3.43Å; S15-V19 PolarHBondContact O-N 3.3Å
16L90.7Very high87.4Confident98 Ų9846.4 Ų46.451%0.51326%0.259SS..Hα-helixtrans-63.5-40174.3-69.3172.7000111.9V12 I13 L18 V19 A20 L156V12-L16 HydrophobicContact CG1-CD1 4.17Å; V12-L16 WeakPolarHBondContact O-CG 3.39Å; V12-L16 PolarHBondContact O-N 3.43Å; I13-L16 PolarHBondContact O-N 3.13Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L18 PolarHBondContact O-N 3.06Å; L16-V19 PolarHBondContact O-N 2.88Å; L16-A20 WeakPolarHBondContact O-CB 3.22Å; L16-A20 PolarHBondContact O-N 3.45Å; L16-L156 HydrophobicContact CB-CD2 3.92Å
17Q90.8Very high87.3Confident5 Ų548.6 Ų48.62%0.02327%0.266CS..Hα-helixtrans-61.6-42.4174.6-77.4179.78.900111.7I13 C14 A20 A21 V47 Y65 L156I13-Q17 WeakPolarHBondContact O-CG 3.4Å; I13-Q17 PolarHBondContact O-N 3.31Å; C14-Q17 PolarHBondContact O-N 3.04Å; Q17-A20 PolarHBondContact O-N 3.44Å; Q17-A21 VanDerWaalsContact O-CB 3.28Å; Q17-A21 WeakPolarHBondContact O-CB 3.44Å; Q17-A21 PolarHBondContact O-N 3.39Å; Q17-V47 HydrophobicContact CB-CG2 4.37Å; Q17-Y65 VanDerWaalsContact CD-OH 3.3Å; Q17-Y65 PolarHBondContact NE2-OH 3.07Å; Q17-Y65 PolarHBondContact OE1-OH 3.45Å; Q17-L156 HydrophobicContact CG-CB 3.9Å; Q17-L156 HydrophobicContact CG-CD2 4.05Å; Q17-L156 HydrophobicContact CG-CG 4.5Å; Q17-L156 PolarHBondContact NE2-O 3.41Å
18L90.4Very high87.1Confident41 Ų4145.4 Ų45.422%0.21525%0.254CS..Hα-helixtrans-64.8-43.6178.7-167.8143.7000111.4C14 S15 L16 A21 L22 V47 I48 M51C14-L18 WeakPolarHBondContact O-CB 2.93Å; C14-L18 PolarHBondContact O-N 2.9Å; S15-L18 PolarHBondContact O-N 3.47Å; L16-L18 VanDerWaalsContact C-N 3.34Å; L16-L18 PolarHBondContact O-N 3.06Å; L18-A21 PolarHBondContact O-N 2.94Å; L18-L22 HydrophobicContact CD2-CD1 3.59Å; L18-L22 HydrophobicContact CD2-CG 4.14Å; L18-L22 WeakPolarHBondContact O-CB 3.31Å; L18-L22 VanDerWaalsContact O-CG 3.29Å; L18-L22 WeakPolarHBondContact O-CG 3.41Å; L18-L22 PolarHBondContact O-N 3.06Å; L18-V47 HydrophobicContact CB-CG1 4.43Å; L18-I48 HydrophobicContact CD1-CG1 4.21Å; L18-M51 HydrophobicContact CD1-CE 3.94Å
19V91.2Very high86.7Confident91 Ų9148.2 Ų48.255%0.55226%0.26SS*.Hα-helixtrans-61.6-45.8174.7173.80000111.1S15 L16 A21 L22 Q23S15-V19 WeakPolarHBondContact O-CG2 3.43Å; S15-V19 PolarHBondContact O-N 3.3Å; L16-V19 PolarHBondContact O-N 2.88Å; V19-A21 VanDerWaalsContact C-N 3.34Å; V19-A21 PolarHBondContact O-N 2.97Å; V19-L22 PolarHBondContact O-N 3.34Å; V19-Q23 WeakPolarHBondContact O-CB 3.21Å; V19-Q23 PolarHBondContact O-N 3.44Å
20A88.6Confident85.6Confident14 Ų1448.7 Ų48.712%0.11626%0.26CS..Hα-helixtrans-63.9-38177.800000112.4L16 Q17 R24 L156L16-A20 WeakPolarHBondContact O-CB 3.22Å; L16-A20 PolarHBondContact O-N 3.45Å; Q17-A20 PolarHBondContact O-N 3.44Å; A20-R24 WeakPolarHBondContact O-CG 3.45Å; A20-R24 PolarHBondContact O-N 3.12Å; A20-L156 HydrophobicContact CB-CD2 4.22Å
21A88.6Confident84.4Confident0 Ų049.2 Ų49.20%027%0.266CS..Hα-helixtrans-68.1-41.717600000111.9Q17 L18 V19 R24 Q25 I44Q17-A21 VanDerWaalsContact O-CB 3.28Å; Q17-A21 WeakPolarHBondContact O-CB 3.44Å; Q17-A21 PolarHBondContact O-N 3.39Å; L18-A21 PolarHBondContact O-N 2.94Å; V19-A21 VanDerWaalsContact C-N 3.34Å; V19-A21 PolarHBondContact O-N 2.97Å; A21-R24 PolarHBondContact O-N 3.39Å; A21-Q25 WeakPolarHBondContact O-CB 3.32Å; A21-Q25 PolarHBondContact O-N 3.18Å; A21-I44 HydrophobicContact CB-CD1 4.42Å; A21-I44 HydrophobicContact CB-CG1 3.89Å
22L89.1Confident83.2Confident82 Ų8251.3 Ų51.343%0.42927%0.271SS..Hα-helixtrans-63.6-42.3174.9-73.1178.3000112L18 V19 R24 Q25 V26 I44L18-L22 HydrophobicContact CD2-CD1 3.59Å; L18-L22 HydrophobicContact CD2-CG 4.14Å; L18-L22 WeakPolarHBondContact O-CB 3.31Å; L18-L22 VanDerWaalsContact O-CG 3.29Å; L18-L22 WeakPolarHBondContact O-CG 3.41Å; L18-L22 PolarHBondContact O-N 3.06Å; V19-L22 PolarHBondContact O-N 3.34Å; L22-R24 VanDerWaalsContact C-N 3.27Å; L22-R24 PolarHBondContact O-N 3.37Å; L22-Q25 WeakPolarHBondContact O-CB 3.44Å; L22-Q25 PolarHBondContact O-N 3.47Å; L22-V26 WeakPolarHBondContact O-CG2 3.31Å; L22-V26 PolarHBondContact O-N 2.89Å; L22-V26 VanDerWaalsContact O-N 3.07Å; L22-I44 HydrophobicContact CD2-CD1 3.96Å
23Q87.8Confident82.1Confident116 Ų11648 Ų4854%0.54225%0.25SC..Hα-helixtrans-57.6-42.8175.4178.4177.5-7.300111.1V19 F27V19-Q23 WeakPolarHBondContact O-CB 3.21Å; V19-Q23 PolarHBondContact O-N 3.44Å; Q23-F27 HydrophobicContact CG-CD2 4.04Å; Q23-F27 HydrophobicContact CG-CE2 3.47Å; Q23-F27 VanDerWaalsContact CG-CE2 3.47Å; Q23-F27 HydrophobicContact CG-CZ 4.26Å; Q23-F27 WeakPolarHBondContact O-CD2 3.41Å; Q23-F27 PolarHBondContact O-N 2.94Å
24R83Confident81.4Confident13 Ų1353.5 Ų53.55%0.04927%0.269CS..Hα-helixtrans-70.4-40175.9-68.4-160.491.9154.311.7113.7A20 A21 L22 V26 F27 D28 N76 E146 S149 S150A20-R24 WeakPolarHBondContact O-CG 3.45Å; A20-R24 PolarHBondContact O-N 3.12Å; A21-R24 PolarHBondContact O-N 3.39Å; L22-R24 VanDerWaalsContact C-N 3.27Å; L22-R24 PolarHBondContact O-N 3.37Å; R24-V26 PolarHBondContact O-N 3.3Å; R24-F27 CarbonylContact O-C 3.46Å; R24-F27 WeakPolarHBondContact O-CA 3.33Å; R24-F27 PolarHBondContact O-N 3.46Å; R24-D28 PolarHBondContact O-N 2.89Å; R24-N76 PolarHBondContact NH1-OD1 3.37Å; R24-E146 PolarHBondContact NH2-O 2.91Å; R24-S149 PolarHBondContact NE-OG 2.94Å; R24-S149 VanDerWaalsContact NE-OG 3.14Å; R24-S149 PolarHBondContact NH1-O 3Å; R24-S149 PolarHBondContact NH2-OG 2.94Å; R24-S150 PolarHBondContact NH1-OG 2.94Å; R24-S150 PolarHBondContact NH2-OG 3.18Å
25Q86.8Confident80.8Confident20 Ų2054.2 Ų54.29%0.09328%0.275CS..Hα-helixtrans-54.7-41.8175.4-171.669.747.600111.4A21 L22 D28 F29 I37A21-Q25 WeakPolarHBondContact O-CB 3.32Å; A21-Q25 PolarHBondContact O-N 3.18Å; L22-Q25 WeakPolarHBondContact O-CB 3.44Å; L22-Q25 PolarHBondContact O-N 3.47Å; Q25-D28 PolarHBondContact O-N 3.28Å; Q25-F29 HydrophobicContact CG-CD2 3.9Å; Q25-F29 HydrophobicContact CG-CE2 3.6Å; Q25-F29 WeakPolarHBondContact O-CD2 3.12Å; Q25-F29 PolarHBondContact O-N 2.64Å; Q25-I37 PolarHBondContact OE1-O 3.09Å
26V83.9Confident80.2Confident87 Ų8751.8 Ų51.853%0.52726%0.258SS..Hα-helixtrans-64-44175.3174.10000111.2L22 R24 F29 L30L22-V26 WeakPolarHBondContact O-CG2 3.31Å; L22-V26 PolarHBondContact O-N 2.89Å; L22-V26 VanDerWaalsContact O-N 3.07Å; R24-V26 PolarHBondContact O-N 3.3Å; V26-F29 PolarHBondContact O-N 2.99Å; V26-L30 HydrophobicContact CG1-CD1 4.36Å; V26-L30 WeakPolarHBondContact O-CG 3.16Å; V26-L30 PolarHBondContact O-N 3.35Å
27F75.1Confident79.8Confident57 Ų5748.1 Ų48.125%0.2524%0.238CC..Hα-helixtrans-64.5-40.4177.2-68-49.2000112.8Q23 R24 L30 G31 W108Q23-F27 HydrophobicContact CG-CD2 4.04Å; Q23-F27 HydrophobicContact CG-CE2 3.47Å; Q23-F27 VanDerWaalsContact CG-CE2 3.47Å; Q23-F27 HydrophobicContact CG-CZ 4.26Å; Q23-F27 WeakPolarHBondContact O-CD2 3.41Å; Q23-F27 PolarHBondContact O-N 2.94Å; R24-F27 CarbonylContact O-C 3.46Å; R24-F27 WeakPolarHBondContact O-CA 3.33Å; R24-F27 PolarHBondContact O-N 3.46Å; F27-L30 HydrophobicContact CD1-CD1 4.46Å; F27-L30 WeakPolarHBondContact O-CB 3.45Å; F27-L30 PolarHBondContact O-N 3.4Å; F27-G31 PolarHBondContact O-N 2.88Å; F27-W108 AromaticContact CD1-CZ2 3.97Å; F27-W108 HydrophobicContact CD1-CZ2 3.97Å; F27-W108 HydrophobicContact CE1-CZ2 4.19Å
28D75.3Confident79.6Confident4 Ų452.9 Ų52.92%0.02126%0.263CS..Hα-helixtrans-68.8-35.3178.8-58.2-15.2000111.8R24 Q25 L30 G31 Y32 Q33 P36 I37 N40R24-D28 PolarHBondContact O-N 2.89Å; Q25-D28 PolarHBondContact O-N 3.28Å; D28-L30 VanDerWaalsContact C-N 3.29Å; D28-L30 PolarHBondContact O-N 3.43Å; D28-G31 CarbonylContact O-C 3.58Å; D28-G31 PolarHBondContact O-N 2.99Å; D28-G31 VanDerWaalsContact O-N 3.13Å; D28-Y32 PolarHBondContact O-N 2.96Å; D28-Q33 PolarHBondContact O-N 3Å; D28-P36 HydrophobicContact CB-CB 4.41Å; D28-P36 WeakPolarHBondContact OD2-CB 3.11Å; D28-I37 HydrophobicContact CB-CG1 3.68Å; D28-N40 PolarHBondContact OD2-ND2 3.29Å
29F76Confident79.4Confident119 Ų11951.6 Ų51.652%0.52226%0.259SS..Hα-helixtrans-63-36.3172-85.6-57.5000112.2Q25 V26 G31 I37Q25-F29 HydrophobicContact CG-CD2 3.9Å; Q25-F29 HydrophobicContact CG-CE2 3.6Å; Q25-F29 WeakPolarHBondContact O-CD2 3.12Å; Q25-F29 PolarHBondContact O-N 2.64Å; V26-F29 PolarHBondContact O-N 2.99Å; F29-G31 VanDerWaalsContact C-N 3.28Å; F29-I37 HydrophobicContact CD1-CD1 3.87Å; F29-I37 HydrophobicContact CD1-CG1 4.49Å; F29-I37 HydrophobicContact CE1-CD1 4.09Å; F29-I37 HydrophobicContact CE1-CG2 4.31Å; F29-I37 HydrophobicContact CG-CD1 4.47Å; F29-I37 HydrophobicContact CZ-CG2 4.35Å
30L65.4Low79.4Confident51 Ų5147.6 Ų47.627%0.26723%0.234SC..Hα-helixtrans-71.9-24.6174.3-66168.1000112.5V26 F27 D28 W107 W108V26-L30 HydrophobicContact CG1-CD1 4.36Å; V26-L30 WeakPolarHBondContact O-CG 3.16Å; V26-L30 PolarHBondContact O-N 3.35Å; F27-L30 HydrophobicContact CD1-CD1 4.46Å; F27-L30 WeakPolarHBondContact O-CB 3.45Å; F27-L30 PolarHBondContact O-N 3.4Å; D28-L30 VanDerWaalsContact C-N 3.29Å; D28-L30 PolarHBondContact O-N 3.43Å; L30-W107 HydrophobicContact CD2-CB 4.23Å; L30-W107 HydrophobicContact CD2-CD2 4.17Å; L30-W107 HydrophobicContact CD2-CE3 4.18Å; L30-W107 HydrophobicContact CD2-CG 4.2Å; L30-W107 PolarHBondContact O-N 3.47Å; L30-W108 VanDerWaalsContact CB-NE1 3.28Å; L30-W108 HydrophobicContact CD1-CZ2 3.96Å
31G61.8Low79.4Confident12 Ų1253 Ų5312%0.12426%0.256CS..Hα-helixtrans-93.2-6.2178.100000115.6F27 D28 F29 Q33F27-G31 PolarHBondContact O-N 2.88Å; D28-G31 CarbonylContact O-C 3.58Å; D28-G31 PolarHBondContact O-N 2.99Å; D28-G31 VanDerWaalsContact O-N 3.13Å; F29-G31 VanDerWaalsContact C-N 3.28Å; G31-Q33 PolarHBondContact O-N 2.87Å
32Y61.6Low79.6Confident103 Ų10356 Ų5640%0.40427%0.272SS..THydrogen-bonded Turntrans52.832.3-174.3-63-81.1000115.1D28 W34 H104 R105D28-Y32 PolarHBondContact O-N 2.96Å; Y32-W34 PolarHBondContact O-N 3.33Å; Y32-H104 HydrophobicContact CG-CB 4.36Å; Y32-R105 VanDerWaalsContact CE2-O 3.29Å; Y32-R105 WeakPolarHBondContact CE2-O 3.19Å
33Q68.7Low79.7Confident16 Ų1652.3 Ų52.38%0.07525%0.252CS..  trans-89.897.8-178.8-58.3-172.4-24.300111D28 G31 A35 P36 I37 Y83 M97 Y142 E146D28-Q33 PolarHBondContact O-N 3Å; G31-Q33 PolarHBondContact O-N 2.87Å; Q33-A35 PolarHBondContact O-N 2.9Å; Q33-P36 HydrophobicContact CB-CB 4.25Å; Q33-P36 HydrophobicContact CB-CG 3.71Å; Q33-P36 WeakPolarHBondContact O-CD 3.44Å; Q33-I37 WeakPolarHBondContact O-CB 3.36Å; Q33-I37 WeakPolarHBondContact O-CD1 3.41Å; Q33-I37 WeakPolarHBondContact O-CG1 3.32Å; Q33-I37 PolarHBondContact O-N 2.89Å; Q33-I37 VanDerWaalsContact O-N 3.11Å; Q33-Y83 PolarHBondContact NE2-OH 3.31Å; Q33-Y83 VanDerWaalsContact NE2-OH 3.08Å; Q33-M97 CarbonylContact C-O 3.56Å; Q33-M97 WeakPolarHBondContact CA-O 3.29Å; Q33-Y142 VanDerWaalsContact CD-OH 3.27Å; Q33-Y142 PolarHBondContact NE2-OH 3.47Å; Q33-Y142 PolarHBondContact OE1-OH 3.13Å; Q33-Y142 VanDerWaalsContact OE1-OH 3.1Å; Q33-E146 PolarHBondContact OE1-OE1 3.43Å
34W73.8Confident79.9Confident134 Ų13448 Ų4851%0.50823%0.233SC..Hα-helixtrans-63.7-38-173.7-66.8104.8000114.3Y32 L38 M97 F99Y32-W34 PolarHBondContact O-N 3.33Å; W34-L38 PolarHBondContact O-N 3.09Å; W34-M97 PolarHBondContact N-O 3Å; W34-F99 HydrophobicContact CB-CD2 4.19Å
35A76.9Confident80.4Confident15 Ų1552 Ų5212%0.12425%0.253CS..Hα-helixtrans-69.3-47.3-17900000112.7Q33 I37 L38 A39 L96 F99Q33-A35 PolarHBondContact O-N 2.9Å; A35-I37 PolarHBondContact O-N 3.34Å; A35-L38 PolarHBondContact O-N 3.1Å; A35-A39 WeakPolarHBondContact O-CB 3.43Å; A35-A39 PolarHBondContact O-N 3.19Å; A35-L96 WeakPolarHBondContact CB-O 3.47Å; A35-F99 HydrophobicContact CB-CE2 4.09Å
36P78.4Confident80.6Confident9 Ų951.6 Ų51.66%0.05825%0.253CS..Hα-helixtrans-58.4-41.7170-28.637.3000114.1D28 Q33 L38 A39 N40 M97D28-P36 HydrophobicContact CB-CB 4.41Å; D28-P36 WeakPolarHBondContact OD2-CB 3.11Å; Q33-P36 HydrophobicContact CB-CB 4.25Å; Q33-P36 HydrophobicContact CB-CG 3.71Å; Q33-P36 WeakPolarHBondContact O-CD 3.44Å; P36-L38 VanDerWaalsContact C-N 3.33Å; P36-L38 PolarHBondContact O-N 3.46Å; P36-A39 PolarHBondContact O-N 2.87Å; P36-N40 WeakPolarHBondContact O-CB 3.42Å; P36-N40 PolarHBondContact O-N 3.35Å; P36-N40 PolarHBondContact O-ND2 3.5Å; P36-M97 HydrophobicContact CG-CE 4.27Å; P36-M97 HydrophobicContact CG-SD 4.23Å
37I82.3Confident81Confident21 Ų2147.4 Ų47.411%0.10823%0.227CC..Hα-helixtrans-55.5-47.7174.8-75167.9000110.9Q25 D28 F29 Q33 A35 F41Q25-I37 PolarHBondContact OE1-O 3.09Å; D28-I37 HydrophobicContact CB-CG1 3.68Å; F29-I37 HydrophobicContact CD1-CD1 3.87Å; F29-I37 HydrophobicContact CD1-CG1 4.49Å; F29-I37 HydrophobicContact CE1-CD1 4.09Å; F29-I37 HydrophobicContact CE1-CG2 4.31Å; F29-I37 HydrophobicContact CG-CD1 4.47Å; F29-I37 HydrophobicContact CZ-CG2 4.35Å; Q33-I37 WeakPolarHBondContact O-CB 3.36Å; Q33-I37 WeakPolarHBondContact O-CD1 3.41Å; Q33-I37 WeakPolarHBondContact O-CG1 3.32Å; Q33-I37 PolarHBondContact O-N 2.89Å; Q33-I37 VanDerWaalsContact O-N 3.11Å; A35-I37 PolarHBondContact O-N 3.34Å; I37-F41 PolarHBondContact O-N 3.28Å; I37-F41 VanDerWaalsContact O-N 3.1Å
38L86.1Confident81.8Confident105 Ų10547.7 Ų47.755%0.5523%0.231SC..Hα-helixtrans-67.1-43.3179.7-178.164.7000111.6W34 A35 P36 F41 L42W34-L38 PolarHBondContact O-N 3.09Å; A35-L38 PolarHBondContact O-N 3.1Å; P36-L38 VanDerWaalsContact C-N 3.33Å; P36-L38 PolarHBondContact O-N 3.46Å; L38-F41 PolarHBondContact O-N 3.46Å; L38-L42 HydrophobicContact CG-CD1 4.48Å; L38-L42 WeakPolarHBondContact O-CG 3.45Å; L38-L42 PolarHBondContact O-N 3.3Å
39A87.9Confident82.5Confident15 Ų1551.3 Ų51.312%0.12425%0.25CC..Hα-helixtrans-62.2-44.5179.600000111.7A35 P36 L42 H43 W72 W75A35-A39 WeakPolarHBondContact O-CB 3.43Å; A35-A39 PolarHBondContact O-N 3.19Å; P36-A39 PolarHBondContact O-N 2.87Å; A39-L42 PolarHBondContact O-N 3.41Å; A39-H43 PolarHBondContact O-N 3.34Å; A39-W72 HydrophobicContact CB-CH2 4.47Å; A39-W72 HydrophobicContact CB-CZ3 4.07Å; A39-W72 VanDerWaalsContact O-CZ3 3.3Å; A39-W72 WeakPolarHBondContact O-CZ3 3.37Å; A39-W75 HydrophobicContact CB-CD2 4.46Å; A39-W75 HydrophobicContact CB-CZ2 3.96Å
40N89.6Confident83.2Confident6 Ų645.6 Ų45.63%0.03223%0.225CC..Hα-helixtrans-64.3-39.7176.4-82.8-42000112.2D28 P36 L42 H43 I44 W72D28-N40 PolarHBondContact OD2-ND2 3.29Å; P36-N40 WeakPolarHBondContact O-CB 3.42Å; P36-N40 PolarHBondContact O-N 3.35Å; P36-N40 PolarHBondContact O-ND2 3.5Å; N40-L42 PolarHBondContact O-N 3.02Å; N40-H43 PolarHBondContact O-N 3.41Å; N40-I44 WeakPolarHBondContact O-CG1 3.06Å; N40-I44 PolarHBondContact O-N 3.02Å; N40-W72 VanDerWaalsContact OD1-CH2 3.23Å; N40-W72 WeakPolarHBondContact OD1-CH2 3.41Å; N40-W72 WeakPolarHBondContact OD1-CZ2 3.43Å
41F90.2Very high84.3Confident128 Ų12845.3 Ų45.356%0.56122%0.222SC*.Hα-helixtrans-59.8-45.8174.3-177.5-98.5000112.3I37 L38 H43 I44 M45I37-F41 PolarHBondContact O-N 3.28Å; I37-F41 VanDerWaalsContact O-N 3.1Å; L38-F41 PolarHBondContact O-N 3.46Å; F41-H43 VanDerWaalsContact C-N 3.3Å; F41-H43 PolarHBondContact O-N 2.72Å; F41-I44 PolarHBondContact O-N 3.19Å; F41-M45 PolarHBondContact O-N 3.31Å; F41-M45 VanDerWaalsContact O-N 3.09Å
42L91.2Very high85.6Confident64 Ų6450.6 Ų50.634%0.33524%0.242SC..Hα-helixtrans-63.1-37.6175.9-68.3172.9000111.8L38 A39 N40 M45 A46 W68L38-L42 HydrophobicContact CG-CD1 4.48Å; L38-L42 WeakPolarHBondContact O-CG 3.45Å; L38-L42 PolarHBondContact O-N 3.3Å; A39-L42 PolarHBondContact O-N 3.41Å; N40-L42 PolarHBondContact O-N 3.02Å; L42-M45 HydrophobicContact CD2-CE 4.38Å; L42-M45 PolarHBondContact O-N 3.4Å; L42-A46 PolarHBondContact O-N 2.97Å; L42-W68 HydrophobicContact CB-CH2 3.63Å; L42-W68 HydrophobicContact CB-CZ2 3.56Å; L42-W68 HydrophobicContact CD1-CH2 4.19Å; L42-W68 HydrophobicContact CG-CH2 4.45Å
43H92.6Very high86.8Confident3 Ų345.7 Ų45.71%0.01422%0.223CC..Hα-helixtrans-64.1-44.1175.7-174.971.4000112.7A39 N40 F41 M45 A46 V47 W68 W72A39-H43 PolarHBondContact O-N 3.34Å; N40-H43 PolarHBondContact O-N 3.41Å; F41-H43 VanDerWaalsContact C-N 3.3Å; F41-H43 PolarHBondContact O-N 2.72Å; H43-M45 VanDerWaalsContact C-N 3.32Å; H43-M45 PolarHBondContact O-N 2.81Å; H43-A46 PolarHBondContact O-N 2.8Å; H43-V47 VanDerWaalsContact O-CG2 3.32Å; H43-V47 WeakPolarHBondContact O-CG2 3.39Å; H43-V47 PolarHBondContact O-N 3.24Å; H43-W68 AromaticContact ND1-CD1 3.9Å; H43-W68 AromaticContact ND1-NE1 3.46Å; H43-W68 PolarHBondContact ND1-NE1 2.88Å; H43-W72 HydrophobicContact CB-CD2 3.97Å; H43-W72 HydrophobicContact CB-CE3 3.76Å; H43-W72 HydrophobicContact CB-CH2 3.58Å; H43-W72 HydrophobicContact CB-CZ2 3.76Å; H43-W72 HydrophobicContact CB-CZ3 3.58Å; H43-W72 AromaticContact CD2-CE2 3.72Å; H43-W72 AromaticContact CD2-CZ2 3.83Å; H43-W72 AromaticContact CD2-NE1 3.86Å; H43-W72 AromaticContact CE1-CD1 3.33Å; H43-W72 AromaticContact CE1-CD2 3.84Å; H43-W72 AromaticContact CE1-CE2 3.73Å; H43-W72 AromaticContact CE1-CG 3.58Å; H43-W72 AromaticContact CE1-NE1 3.38Å; H43-W72 PolarHBondContact CE1-NE1 3.11Å; H43-W72 AromaticContact CG-CD2 3.6Å; H43-W72 AromaticContact CG-CE2 3.43Å; H43-W72 VanDerWaalsContact CG-CE2 3.43Å; H43-W72 AromaticContact CG-CE3 3.93Å; H43-W72 AromaticContact CG-CH2 4Å; H43-W72 AromaticContact CG-CZ2 3.63Å; H43-W72 AromaticContact CG-NE1 3.88Å; H43-W72 AromaticContact ND1-CD1 3.56Å; H43-W72 AromaticContact ND1-CD2 3.25Å; H43-W72 AromaticContact ND1-CE2 3.43Å; H43-W72 AromaticContact ND1-CE3 3.82Å; H43-W72 AromaticContact ND1-CG 3.33Å; H43-W72 VanDerWaalsContact ND1-CG 3.33Å; H43-W72 AromaticContact ND1-NE1 3.58Å; H43-W72 AromaticContact NE2-CD1 3.96Å; H43-W72 AromaticContact NE2-CE2 3.91Å; H43-W72 AromaticContact NE2-NE1 3.56Å
44I91.9Very high87.6Confident27 Ų2745.1 Ų45.114%0.13822%0.22CC..Hα-helixtrans-58.9-45.1175.5-67.6165.2000110.6A21 L22 N40 F41 A46 V47 I48A21-I44 HydrophobicContact CB-CD1 4.42Å; A21-I44 HydrophobicContact CB-CG1 3.89Å; L22-I44 HydrophobicContact CD2-CD1 3.96Å; N40-I44 WeakPolarHBondContact O-CG1 3.06Å; N40-I44 PolarHBondContact O-N 3.02Å; F41-I44 PolarHBondContact O-N 3.19Å; I44-A46 VanDerWaalsContact C-N 3.34Å; I44-A46 PolarHBondContact O-N 3.25Å; I44-V47 PolarHBondContact O-N 3.35Å; I44-I48 HydrophobicContact CG2-CD1 3.8Å; I44-I48 HydrophobicContact CG2-CG1 4.48Å; I44-I48 VanDerWaalsContact O-CG1 3.28Å; I44-I48 WeakPolarHBondContact O-CG1 3.42Å; I44-I48 PolarHBondContact O-N 3.34Å
45M92.1Very high88.1Confident97 Ų9743 Ų4348%0.47822%0.222SC..Hα-helixtrans-59.2-45176.9-172.5-174.672.400111.7F41 L42 H43 I48 L49F41-M45 PolarHBondContact O-N 3.31Å; F41-M45 VanDerWaalsContact O-N 3.09Å; L42-M45 HydrophobicContact CD2-CE 4.38Å; L42-M45 PolarHBondContact O-N 3.4Å; H43-M45 VanDerWaalsContact C-N 3.32Å; H43-M45 PolarHBondContact O-N 2.81Å; M45-I48 PolarHBondContact O-N 3.22Å; M45-L49 HydrophobicContact CG-CD1 4.47Å; M45-L49 WeakPolarHBondContact O-CG 3.36Å; M45-L49 PolarHBondContact O-N 3.33Å
46A92.1Very high88.5Confident10 Ų1048.4 Ų48.48%0.08325%0.245CC..Hα-helixtrans-65.9-39.5178.700000113L42 H43 I44 L49 G50 Y65 W68L42-A46 PolarHBondContact O-N 2.97Å; H43-A46 PolarHBondContact O-N 2.8Å; I44-A46 VanDerWaalsContact C-N 3.34Å; I44-A46 PolarHBondContact O-N 3.25Å; A46-L49 PolarHBondContact O-N 2.91Å; A46-G50 PolarHBondContact O-N 3.29Å; A46-Y65 WeakPolarHBondContact O-CD2 3.25Å; A46-W68 HydrophobicContact CB-CB 4.21Å; A46-W68 HydrophobicContact CB-CD2 3.81Å; A46-W68 HydrophobicContact CB-CG 3.46Å; A46-W68 VanDerWaalsContact CB-CG 3.46Å; A46-W68 VanDerWaalsContact CB-NE1 3.35Å
47V92.6Very high88.3Confident0 Ų053.1 Ų53.10%027%0.265CS..Hα-helixtrans-63.4-41.8175.2173.50000110.8C14 Q17 L18 H43 I44 G50 M51 Y65C14-V47 HydrophobicContact CB-CG1 4.01Å; C14-V47 WeakPolarHBondContact O-CG1 3.33Å; Q17-V47 HydrophobicContact CB-CG2 4.37Å; L18-V47 HydrophobicContact CB-CG1 4.43Å; H43-V47 VanDerWaalsContact O-CG2 3.32Å; H43-V47 WeakPolarHBondContact O-CG2 3.39Å; H43-V47 PolarHBondContact O-N 3.24Å; I44-V47 PolarHBondContact O-N 3.35Å; V47-G50 PolarHBondContact O-N 3.46Å; V47-M51 HydrophobicContact CG1-CE 4.42Å; V47-M51 WeakPolarHBondContact O-CG 3.39Å; V47-M51 PolarHBondContact O-N 3.18Å; V47-Y65 HydrophobicContact CB-CE2 4.46Å; V47-Y65 HydrophobicContact CG2-CE2 4.02Å
48I91.6Very high88.2Confident62 Ų6259 Ų5932%0.31829%0.286SS..Hα-helixtrans-61.3-45.3175.2-68.7167000110.8L18 I44 M45 G50 M51 F52L18-I48 HydrophobicContact CD1-CG1 4.21Å; I44-I48 HydrophobicContact CG2-CD1 3.8Å; I44-I48 HydrophobicContact CG2-CG1 4.48Å; I44-I48 VanDerWaalsContact O-CG1 3.28Å; I44-I48 WeakPolarHBondContact O-CG1 3.42Å; I44-I48 PolarHBondContact O-N 3.34Å; M45-I48 PolarHBondContact O-N 3.22Å; I48-G50 VanDerWaalsContact C-N 3.3Å; I48-G50 PolarHBondContact O-N 2.98Å; I48-M51 HydrophobicContact CB-CE 4.36Å; I48-M51 HydrophobicContact CG1-CE 3.92Å; I48-M51 PolarHBondContact O-N 3.19Å; I48-F52 HydrophobicContact CG2-CD2 3.59Å; I48-F52 HydrophobicContact CG2-CE2 3.37Å; I48-F52 WeakPolarHBondContact O-CD2 3.41Å; I48-F52 PolarHBondContact O-N 3.34Å
49L90.6Very high88.1Confident80 Ų8056.6 Ų56.642%0.41927%0.271SS..Hα-helixtrans-60.2-39.3174.3-71.1171.7000112.1M45 A46 F52 G53M45-L49 HydrophobicContact CG-CD1 4.47Å; M45-L49 WeakPolarHBondContact O-CG 3.36Å; M45-L49 PolarHBondContact O-N 3.33Å; A46-L49 PolarHBondContact O-N 2.91Å; L49-F52 PolarHBondContact O-N 3.44Å; L49-G53 PolarHBondContact O-N 2.9Å
50G88.9Confident88Confident0 Ų063.4 Ų63.40%029%0.293CS..Hα-helixtrans-63.5-42.6174.200000113.2A46 V47 I48 G53 T54A46-G50 PolarHBondContact O-N 3.29Å; V47-G50 PolarHBondContact O-N 3.46Å; I48-G50 VanDerWaalsContact C-N 3.3Å; I48-G50 PolarHBondContact O-N 2.98Å; G50-G53 PolarHBondContact O-N 3.47Å; G50-T54 PolarHBondContact O-N 2.84Å; G50-T54 PolarHBondContact O-OG1 3.38Å
51M89.3Confident88Confident44 Ų4468.6 Ų68.622%0.21731%0.313CS..Hα-helixtrans-62.3-47.1174.3-70.8-171.4-66.400111.5L11 C14 L18 V47 I48 G53 T54 V55L11-M51 HydrophobicContact CD2-CB 4.43Å; L11-M51 HydrophobicContact CD2-CG 4.35Å; C14-M51 HydrophobicContact CB-CG 3.61Å; C14-M51 HydrophobicContact CB-SD 4.1Å; L18-M51 HydrophobicContact CD1-CE 3.94Å; V47-M51 HydrophobicContact CG1-CE 4.42Å; V47-M51 WeakPolarHBondContact O-CG 3.39Å; V47-M51 PolarHBondContact O-N 3.18Å; I48-M51 HydrophobicContact CB-CE 4.36Å; I48-M51 HydrophobicContact CG1-CE 3.92Å; I48-M51 PolarHBondContact O-N 3.19Å; M51-G53 VanDerWaalsContact C-N 3.3Å; M51-G53 PolarHBondContact O-N 3.17Å; M51-T54 WeakPolarHBondContact O-CB 3.16Å; M51-T54 PolarHBondContact O-N 3.35Å; M51-T54 VanDerWaalsContact O-N 3.15Å; M51-V55 WeakPolarHBondContact O-CG2 3.29Å; M51-V55 PolarHBondContact O-N 2.97Å
52F89.1Confident87.9Confident123 Ų12362.5 Ų62.554%0.53929%0.287SS..Hα-helixtrans-60.4-40.1174.7-79.6-62.2000112.1I48 L49 T54 V55 Q56I48-F52 HydrophobicContact CG2-CD2 3.59Å; I48-F52 HydrophobicContact CG2-CE2 3.37Å; I48-F52 WeakPolarHBondContact O-CD2 3.41Å; I48-F52 PolarHBondContact O-N 3.34Å; L49-F52 PolarHBondContact O-N 3.44Å; F52-T54 VanDerWaalsContact C-N 3.28Å; F52-T54 PolarHBondContact O-N 2.96Å; F52-V55 PolarHBondContact O-N 3.46Å; F52-Q56 VanDerWaalsContact O-CB 3.29Å; F52-Q56 WeakPolarHBondContact O-CB 3.31Å; F52-Q56 WeakPolarHBondContact O-CG 3.21Å; F52-Q56 PolarHBondContact O-N 3.07Å
53G86.1Confident87.8Confident0 Ų063.3 Ų63.30%029%0.29CS..Hα-helixtrans-59.3-38.2174.800000113.3L49 G50 M51 F57 R58L49-G53 PolarHBondContact O-N 2.9Å; G50-G53 PolarHBondContact O-N 3.47Å; M51-G53 VanDerWaalsContact C-N 3.3Å; M51-G53 PolarHBondContact O-N 3.17Å; G53-F57 PolarHBondContact O-N 3.2Å; G53-R58 PolarHBondContact O-N 3.13Å; G53-R58 VanDerWaalsContact O-N 3.17Å
54T85.9Confident87.8Confident4 Ų470.3 Ų70.33%0.02532%0.321CS..Hα-helixtrans-70.3-40.1177.9-46.10000112.1R7 L10 L11 G50 M51 F52R7-T54 HydrophobicContact CB-CG2 4.35Å; L10-T54 HydrophobicContact CD2-CG2 4.04Å; L11-T54 HydrophobicContact CD2-CG2 4.3Å; L11-T54 HydrophobicContact CG-CG2 4.33Å; G50-T54 PolarHBondContact O-N 2.84Å; G50-T54 PolarHBondContact O-OG1 3.38Å; M51-T54 WeakPolarHBondContact O-CB 3.16Å; M51-T54 PolarHBondContact O-N 3.35Å; M51-T54 VanDerWaalsContact O-N 3.15Å; F52-T54 VanDerWaalsContact C-N 3.28Å; F52-T54 PolarHBondContact O-N 2.96Å
55V85.1Confident87.8Confident89 Ų8969.2 Ų69.254%0.53932%0.315SS..Hα-helixtrans-76.7-37.8-178.8175.20000112.2M51 F52 F57M51-V55 WeakPolarHBondContact O-CG2 3.29Å; M51-V55 PolarHBondContact O-N 2.97Å; F52-V55 PolarHBondContact O-N 3.46Å; V55-F57 VanDerWaalsContact C-N 3.33Å; V55-F57 WeakPolarHBondContact O-CD2 3.43Å
56Q84.2Confident87.8Confident130 Ų13065.1 Ų65.161%0.60730%0.296SS*.THydrogen-bonded Turntrans-88.34.7-176.8-64.8-7614.700113.6F52 R58F52-Q56 VanDerWaalsContact O-CB 3.29Å; F52-Q56 WeakPolarHBondContact O-CB 3.31Å; F52-Q56 WeakPolarHBondContact O-CG 3.21Å; F52-Q56 PolarHBondContact O-N 3.07Å; Q56-R58 HydrophobicContact CB-CG 4.28Å; Q56-R58 PolarHBondContact O-N 3.34Å
57F75.7Confident87.9Confident107 Ų10768.7 Ų68.747%0.46932%0.317SS..THydrogen-bonded Turntrans55.233-178.5-62.6-82000114.2G53 V55 F171G53-F57 PolarHBondContact O-N 3.2Å; V55-F57 VanDerWaalsContact C-N 3.33Å; V55-F57 WeakPolarHBondContact O-CD2 3.43Å; F57-F171 HydrophobicContact CD1-CD1 4.16Å; F57-F171 AromaticContact CD1-CE1 3.44Å; F57-F171 HydrophobicContact CD1-CE1 3.44Å; F57-F171 VanDerWaalsContact CD1-CE1 3.44Å; F57-F171 HydrophobicContact CD1-CE2 4.49Å; F57-F171 AromaticContact CD1-CZ 3.65Å; F57-F171 HydrophobicContact CD1-CZ 3.65Å; F57-F171 AromaticContact CE1-CE1 3.7Å; F57-F171 HydrophobicContact CE1-CE1 3.7Å; F57-F171 AromaticContact CE1-CZ 3.91Å; F57-F171 HydrophobicContact CE1-CZ 3.91Å
58R80.3Confident88Confident145 Ų14571.9 Ų71.955%0.54733%0.329SS..  trans-106.492.3-177.2-73.7-62.2-173.1114.3-0.2110G53 Q56 R60 Y61G53-R58 PolarHBondContact O-N 3.13Å; G53-R58 VanDerWaalsContact O-N 3.17Å; Q56-R58 HydrophobicContact CB-CG 4.28Å; Q56-R58 PolarHBondContact O-N 3.34Å; R58-R60 PolarHBondContact O-N 3.3Å; R58-Y61 HydrophobicContact CB-CD2 3.49Å; R58-Y61 VanDerWaalsContact CB-CD2 3.49Å; R58-Y61 HydrophobicContact CB-CE2 3.88Å; R58-Y61 HydrophobicContact CG-CD2 4.32Å; R58-Y61 HydrophobicContact CG-CE2 4.23Å; R58-Y61 PolarHBondContact O-N 2.89Å; R58-Y61 VanDerWaalsContact O-N 3.08Å
59F82.6Confident88Confident55 Ų5569 Ų6924%0.24131%0.314CS..Hα-helixtrans-53.6-31.1-177.176.1-91000113.8Y61 L62 I63 F171F59-Y61 VanDerWaalsContact C-N 3.32Å; F59-Y61 PolarHBondContact O-N 3.08Å; F59-L62 WeakPolarHBondContact O-CB 3.32Å; F59-L62 PolarHBondContact O-N 3.28Å; F59-L62 VanDerWaalsContact O-N 3.07Å; F59-I63 HydrophobicContact CD2-CD1 3.73Å; F59-I63 HydrophobicContact CE2-CD1 4.05Å; F59-I63 PolarHBondContact O-N 3.06Å; F59-F171 HydrophobicContact CB-CB 4.27Å
60R86.8Confident88.2Confident157 Ų15769.2 Ų69.259%0.59232%0.319SS*.Hα-helixtrans-57.5-41.4177.9-65-179.9-176.3139.55.6112.6R58 L62 I63 F64R58-R60 PolarHBondContact O-N 3.3Å; R60-L62 VanDerWaalsContact C-N 3.33Å; R60-I63 PolarHBondContact O-N 3.5Å; R60-F64 WeakPolarHBondContact O-CD2 3.41Å; R60-F64 PolarHBondContact O-N 3.26Å; R60-F64 VanDerWaalsContact O-N 3.13Å
61Y89.1Confident88.4Confident116 Ų11674.3 Ų74.346%0.45535%0.346SS..Hα-helixtrans-69.2-32.4177.3-64.8-67.4000112.2R58 F59 F64 Y65R58-Y61 HydrophobicContact CB-CD2 3.49Å; R58-Y61 VanDerWaalsContact CB-CD2 3.49Å; R58-Y61 HydrophobicContact CB-CE2 3.88Å; R58-Y61 HydrophobicContact CG-CD2 4.32Å; R58-Y61 HydrophobicContact CG-CE2 4.23Å; R58-Y61 PolarHBondContact O-N 2.89Å; R58-Y61 VanDerWaalsContact O-N 3.08Å; F59-Y61 VanDerWaalsContact C-N 3.32Å; F59-Y61 PolarHBondContact O-N 3.08Å; Y61-F64 PolarHBondContact O-N 2.97Å; Y61-Y65 WeakPolarHBondContact O-CB 3.48Å; Y61-Y65 PolarHBondContact O-N 3.46Å
62L88Confident88.6Confident0 Ų072.6 Ų72.60%034%0.337CS..Hα-helixtrans-68.4-36.6173.9-71.5175.6000112.4L10 F59 R60 Y65 A66 V167 S168 F171L10-L62 HydrophobicContact CD2-CD2 4.01Å; F59-L62 WeakPolarHBondContact O-CB 3.32Å; F59-L62 PolarHBondContact O-N 3.28Å; F59-L62 VanDerWaalsContact O-N 3.07Å; R60-L62 VanDerWaalsContact C-N 3.33Å; L62-Y65 PolarHBondContact O-N 2.91Å; L62-A66 WeakPolarHBondContact O-CB 3.42Å; L62-A66 PolarHBondContact O-N 2.93Å; L62-V167 HydrophobicContact CD1-CG1 3.9Å; L62-S168 WeakPolarHBondContact CB-OG 3.43Å; L62-F171 HydrophobicContact CD1-CD2 3.61Å; L62-F171 HydrophobicContact CD1-CE2 3.6Å
63I89.4Confident88.8Confident80 Ų8068.2 Ų68.241%0.4132%0.32SS..Hα-helixtrans-63.3-47.2173.5-66173000110.4F59 R60 Y65 A66 V67F59-I63 HydrophobicContact CD2-CD1 3.73Å; F59-I63 HydrophobicContact CE2-CD1 4.05Å; F59-I63 PolarHBondContact O-N 3.06Å; R60-I63 PolarHBondContact O-N 3.5Å; I63-Y65 VanDerWaalsContact C-N 3.28Å; I63-Y65 PolarHBondContact O-N 3.29Å; I63-A66 PolarHBondContact O-N 3.5Å; I63-V67 WeakPolarHBondContact O-CG2 3.47Å; I63-V67 PolarHBondContact O-N 2.95Å
64F91.8Very high89Confident151 Ų15170.2 Ų70.266%0.66234%0.34SS*.Hα-helixtrans-57.7-43.2175.4-76.2-64000111.9R60 Y61 V67 W68R60-F64 WeakPolarHBondContact O-CD2 3.41Å; R60-F64 PolarHBondContact O-N 3.26Å; R60-F64 VanDerWaalsContact O-N 3.13Å; Y61-F64 PolarHBondContact O-N 2.97Å; F64-V67 PolarHBondContact O-N 3.47Å; F64-W68 WeakPolarHBondContact O-CB 3.48Å; F64-W68 PolarHBondContact O-N 3.45Å
65Y92.3Very high89.1Confident4 Ų473.8 Ų73.82%0.01635%0.354CS..Hα-helixtrans-62.9-43.1175.3173.6-112.4000112.4Q17 A46 V47 Y61 L62 I63 V67 W68 L69 A164Q17-Y65 VanDerWaalsContact CD-OH 3.3Å; Q17-Y65 PolarHBondContact NE2-OH 3.07Å; Q17-Y65 PolarHBondContact OE1-OH 3.45Å; A46-Y65 WeakPolarHBondContact O-CD2 3.25Å; V47-Y65 HydrophobicContact CB-CE2 4.46Å; V47-Y65 HydrophobicContact CG2-CE2 4.02Å; Y61-Y65 WeakPolarHBondContact O-CB 3.48Å; Y61-Y65 PolarHBondContact O-N 3.46Å; L62-Y65 PolarHBondContact O-N 2.91Å; I63-Y65 VanDerWaalsContact C-N 3.28Å; I63-Y65 PolarHBondContact O-N 3.29Å; Y65-V67 PolarHBondContact O-N 2.9Å; Y65-W68 WeakPolarHBondContact O-CB 3.44Å; Y65-W68 PolarHBondContact O-N 2.85Å; Y65-L69 HydrophobicContact CD1-CD1 4.18Å; Y65-L69 HydrophobicContact CD2-CG 4.4Å; Y65-L69 HydrophobicContact CE1-CD1 3.59Å; Y65-L69 HydrophobicContact CE1-CG 4.19Å; Y65-L69 HydrophobicContact CE2-CD1 4.24Å; Y65-L69 HydrophobicContact CE2-CD2 3.87Å; Y65-L69 HydrophobicContact CE2-CG 3.97Å; Y65-L69 WeakPolarHBondContact O-CG 3.5Å; Y65-L69 PolarHBondContact O-N 2.87Å; Y65-A164 HydrophobicContact CD1-CB 3.94Å; Y65-A164 HydrophobicContact CE1-CB 4.06Å
66A91.9Very high89.3Confident10 Ų1069.7 Ų69.78%0.08333%0.329CS..Hα-helixtrans-62.5-42.6177.400000112.4L62 I63 W68 L69 V70 F161 A164L62-A66 WeakPolarHBondContact O-CB 3.42Å; L62-A66 PolarHBondContact O-N 2.93Å; I63-A66 PolarHBondContact O-N 3.5Å; A66-W68 VanDerWaalsContact C-N 3.33Å; A66-L69 PolarHBondContact O-N 3.23Å; A66-V70 PolarHBondContact O-N 3.47Å; A66-F161 HydrophobicContact CB-CD2 4.13Å; A66-F161 HydrophobicContact CB-CE2 4.16Å; A66-A164 HydrophobicContact CB-CB 4.44Å
67V94Very high89.5Confident86 Ų8665.7 Ų65.752%0.52132%0.315SS..Hα-helixtrans-62.7-42.3173.9174.10000110.8I63 F64 Y65 L69 V70 L71I63-V67 WeakPolarHBondContact O-CG2 3.47Å; I63-V67 PolarHBondContact O-N 2.95Å; F64-V67 PolarHBondContact O-N 3.47Å; Y65-V67 PolarHBondContact O-N 2.9Å; V67-L69 VanDerWaalsContact C-N 3.34Å; V67-L69 PolarHBondContact O-N 3.38Å; V67-V70 PolarHBondContact O-N 3.33Å; V67-L71 PolarHBondContact O-N 3.36Å
68W95.1Very high90Very high67 Ų6764.7 Ų64.725%0.25431%0.311SS..Hα-helixtrans-61.3-40.4176.7-176.2-95.8000112.6L42 H43 A46 F64 Y65 A66 V70 L71 W72L42-W68 HydrophobicContact CB-CH2 3.63Å; L42-W68 HydrophobicContact CB-CZ2 3.56Å; L42-W68 HydrophobicContact CD1-CH2 4.19Å; L42-W68 HydrophobicContact CG-CH2 4.45Å; H43-W68 AromaticContact ND1-CD1 3.9Å; H43-W68 AromaticContact ND1-NE1 3.46Å; H43-W68 PolarHBondContact ND1-NE1 2.88Å; A46-W68 HydrophobicContact CB-CB 4.21Å; A46-W68 HydrophobicContact CB-CD2 3.81Å; A46-W68 HydrophobicContact CB-CG 3.46Å; A46-W68 VanDerWaalsContact CB-CG 3.46Å; A46-W68 VanDerWaalsContact CB-NE1 3.35Å; F64-W68 WeakPolarHBondContact O-CB 3.48Å; F64-W68 PolarHBondContact O-N 3.45Å; Y65-W68 WeakPolarHBondContact O-CB 3.44Å; Y65-W68 PolarHBondContact O-N 2.85Å; A66-W68 VanDerWaalsContact C-N 3.33Å; W68-V70 VanDerWaalsContact C-N 3.27Å; W68-V70 PolarHBondContact O-N 3Å; W68-L71 HydrophobicContact CE3-CD1 4.38Å; W68-L71 WeakPolarHBondContact O-CB 3.37Å; W68-L71 PolarHBondContact O-N 3.33Å; W68-W72 WeakPolarHBondContact O-CB 3.45Å; W68-W72 PolarHBondContact O-N 2.88Å
69L92.6Very high90Very high0 Ų058.2 Ų58.20%029%0.287CS..Hα-helixtrans-60.4-35.9176.7-71.9179.4000112.6Y65 A66 V67 W72 V73 A157 G160 F161Y65-L69 HydrophobicContact CD1-CD1 4.18Å; Y65-L69 HydrophobicContact CD2-CG 4.4Å; Y65-L69 HydrophobicContact CE1-CD1 3.59Å; Y65-L69 HydrophobicContact CE1-CG 4.19Å; Y65-L69 HydrophobicContact CE2-CD1 4.24Å; Y65-L69 HydrophobicContact CE2-CD2 3.87Å; Y65-L69 HydrophobicContact CE2-CG 3.97Å; Y65-L69 WeakPolarHBondContact O-CG 3.5Å; Y65-L69 PolarHBondContact O-N 2.87Å; A66-L69 PolarHBondContact O-N 3.23Å; V67-L69 VanDerWaalsContact C-N 3.34Å; V67-L69 PolarHBondContact O-N 3.38Å; L69-W72 WeakPolarHBondContact O-CB 3.41Å; L69-W72 PolarHBondContact O-N 3.22Å; L69-V73 WeakPolarHBondContact O-CG2 3.29Å; L69-V73 PolarHBondContact O-N 2.97Å; L69-A157 HydrophobicContact CD2-CB 4.13Å; L69-G160 VanDerWaalsContact CD1-C 3.45Å; L69-F161 HydrophobicContact CB-CB 4.45Å; L69-F161 HydrophobicContact CD1-CB 4.05Å; L69-F161 VanDerWaalsContact CD1-N 3.31Å
70V94.1Very high90Very high85 Ų8557 Ų5752%0.51528%0.283SS..Hα-helixtrans-65.2-45.7175.2177.30000110.9A66 V67 W68 W72 V73 G74 F161A66-V70 PolarHBondContact O-N 3.47Å; V67-V70 PolarHBondContact O-N 3.33Å; W68-V70 VanDerWaalsContact C-N 3.27Å; W68-V70 PolarHBondContact O-N 3Å; V70-W72 VanDerWaalsContact C-N 3.25Å; V70-W72 PolarHBondContact O-N 2.73Å; V70-V73 PolarHBondContact O-N 2.92Å; V70-G74 PolarHBondContact O-N 3.39Å; V70-F161 HydrophobicContact CG2-CD2 4.03Å; V70-F161 HydrophobicContact CG2-CE2 3.75Å; V70-F161 HydrophobicContact CG2-CZ 4.43Å
71L92.8Very high89.8Confident108 Ų10852.7 Ų52.757%0.56528%0.276SS*.Hα-helixtrans-60.8-38.7174.3-65.4175.5000111.3V67 W68 G74 W75V67-L71 PolarHBondContact O-N 3.36Å; W68-L71 HydrophobicContact CE3-CD1 4.38Å; W68-L71 WeakPolarHBondContact O-CB 3.37Å; W68-L71 PolarHBondContact O-N 3.33Å; L71-G74 PolarHBondContact O-N 3.36Å; L71-W75 PolarHBondContact O-N 2.92Å
72W93.8Very high89Confident7 Ų748 Ų483%0.02726%0.258CS..Hα-helixtrans-65.5-40.3177.9-168.9-113.6000113.1A39 N40 H43 W68 L69 V70 G74 W75 N76A39-W72 HydrophobicContact CB-CH2 4.47Å; A39-W72 HydrophobicContact CB-CZ3 4.07Å; A39-W72 VanDerWaalsContact O-CZ3 3.3Å; A39-W72 WeakPolarHBondContact O-CZ3 3.37Å; N40-W72 VanDerWaalsContact OD1-CH2 3.23Å; N40-W72 WeakPolarHBondContact OD1-CH2 3.41Å; N40-W72 WeakPolarHBondContact OD1-CZ2 3.43Å; H43-W72 HydrophobicContact CB-CD2 3.97Å; H43-W72 HydrophobicContact CB-CE3 3.76Å; H43-W72 HydrophobicContact CB-CH2 3.58Å; H43-W72 HydrophobicContact CB-CZ2 3.76Å; H43-W72 HydrophobicContact CB-CZ3 3.58Å; H43-W72 AromaticContact CD2-CE2 3.72Å; H43-W72 AromaticContact CD2-CZ2 3.83Å; H43-W72 AromaticContact CD2-NE1 3.86Å; H43-W72 AromaticContact CE1-CD1 3.33Å; H43-W72 AromaticContact CE1-CD2 3.84Å; H43-W72 AromaticContact CE1-CE2 3.73Å; H43-W72 AromaticContact CE1-CG 3.58Å; H43-W72 AromaticContact CE1-NE1 3.38Å; H43-W72 PolarHBondContact CE1-NE1 3.11Å; H43-W72 AromaticContact CG-CD2 3.6Å; H43-W72 AromaticContact CG-CE2 3.43Å; H43-W72 VanDerWaalsContact CG-CE2 3.43Å; H43-W72 AromaticContact CG-CE3 3.93Å; H43-W72 AromaticContact CG-CH2 4Å; H43-W72 AromaticContact CG-CZ2 3.63Å; H43-W72 AromaticContact CG-NE1 3.88Å; H43-W72 AromaticContact ND1-CD1 3.56Å; H43-W72 AromaticContact ND1-CD2 3.25Å; H43-W72 AromaticContact ND1-CE2 3.43Å; H43-W72 AromaticContact ND1-CE3 3.82Å; H43-W72 AromaticContact ND1-CG 3.33Å; H43-W72 VanDerWaalsContact ND1-CG 3.33Å; H43-W72 AromaticContact ND1-NE1 3.58Å; H43-W72 AromaticContact NE2-CD1 3.96Å; H43-W72 AromaticContact NE2-CE2 3.91Å; H43-W72 AromaticContact NE2-NE1 3.56Å; W68-W72 WeakPolarHBondContact O-CB 3.45Å; W68-W72 PolarHBondContact O-N 2.88Å; L69-W72 WeakPolarHBondContact O-CB 3.41Å; L69-W72 PolarHBondContact O-N 3.22Å; V70-W72 VanDerWaalsContact C-N 3.25Å; V70-W72 PolarHBondContact O-N 2.73Å; W72-G74 VanDerWaalsContact C-N 3.33Å; W72-W75 AromaticContact CZ3-CD1 3.86Å; W72-W75 PolarHBondContact O-N 3.33Å; W72-N76 PolarHBondContact NE1-ND2 3.27Å; W72-N76 VanDerWaalsContact NE1-ND2 3.1Å; W72-N76 PolarHBondContact O-N 2.86Å; W72-N76 PolarHBondContact O-ND2 3.31Å
73V92.9Very high88.2Confident31 Ų3149 Ų4919%0.18826%0.262CS..Hα-helixtrans-62.9-42.8172.4169.80000110.4L69 V70 N76 S77 I154 A157L69-V73 WeakPolarHBondContact O-CG2 3.29Å; L69-V73 PolarHBondContact O-N 2.97Å; V70-V73 PolarHBondContact O-N 2.92Å; V73-N76 PolarHBondContact O-N 3.18Å; V73-S77 VanDerWaalsContact O-CB 3.29Å; V73-S77 WeakPolarHBondContact O-CB 3.3Å; V73-S77 PolarHBondContact O-N 3.03Å; V73-S77 PolarHBondContact O-OG 3.1Å; V73-I154 HydrophobicContact CG1-CG2 4.25Å; V73-A157 HydrophobicContact CG2-CB 3.68Å
74G90.6Very high87.4Confident42 Ų4249.7 Ų49.743%0.43327%0.265SS..Hα-helixtrans-59.5-47.3175.400000112.3V70 L71 W72 S77 F78V70-G74 PolarHBondContact O-N 3.39Å; L71-G74 PolarHBondContact O-N 3.36Å; W72-G74 VanDerWaalsContact C-N 3.33Å; G74-S77 PolarHBondContact O-N 3.45Å; G74-F78 WeakPolarHBondContact O-CB 3.37Å; G74-F78 PolarHBondContact O-N 2.91Å
75W88.8Confident86.2Confident80 Ų8047.7 Ų47.730%0.30326%0.258SS..Hα-helixtrans-60-50176.4-179.1-104.6000112.2A39 L71 W72 S77 F78 I79A39-W75 HydrophobicContact CB-CD2 4.46Å; A39-W75 HydrophobicContact CB-CZ2 3.96Å; L71-W75 PolarHBondContact O-N 2.92Å; W72-W75 AromaticContact CZ3-CD1 3.86Å; W72-W75 PolarHBondContact O-N 3.33Å; W75-S77 VanDerWaalsContact C-N 3.29Å; W75-S77 PolarHBondContact O-N 3.44Å; W75-F78 HydrophobicContact CZ3-CD1 4.5Å; W75-F78 WeakPolarHBondContact O-CB 3.2Å; W75-F78 PolarHBondContact O-N 3.28Å; W75-I79 HydrophobicContact CZ2-CD1 4.18Å; W75-I79 WeakPolarHBondContact O-CG1 3.19Å; W75-I79 PolarHBondContact O-N 3.39Å
76N89Confident84.6Confident3 Ų352.5 Ų52.52%0.01629%0.288CS..Hα-helixtrans-65-33.8178.7-81.6-85.2000112.6R24 W72 V73 I79 I80 Q153 I154R24-N76 PolarHBondContact NH1-OD1 3.37Å; W72-N76 PolarHBondContact NE1-ND2 3.27Å; W72-N76 VanDerWaalsContact NE1-ND2 3.1Å; W72-N76 PolarHBondContact O-N 2.86Å; W72-N76 PolarHBondContact O-ND2 3.31Å; V73-N76 PolarHBondContact O-N 3.18Å; N76-I79 PolarHBondContact O-N 3.28Å; N76-I80 WeakPolarHBondContact O-CG1 3.24Å; N76-I80 PolarHBondContact O-N 2.98Å; N76-Q153 PolarHBondContact ND2-OE1 2.88Å; N76-Q153 PolarHBondContact OD1-OE1 3.32Å; N76-I154 HydrophobicContact CB-CD1 3.82Å; N76-I154 HydrophobicContact CB-CG1 3.49Å; N76-I154 VanDerWaalsContact CB-CG1 3.49Å
77S88.3Confident82.4Confident46 Ų4654.4 Ų54.432%0.32231%0.309SS..Hα-helixtrans-67.2-41.3174.8-58.10000111.3V73 G74 W75 I80 C81V73-S77 VanDerWaalsContact O-CB 3.29Å; V73-S77 WeakPolarHBondContact O-CB 3.3Å; V73-S77 PolarHBondContact O-N 3.03Å; V73-S77 PolarHBondContact O-OG 3.1Å; G74-S77 PolarHBondContact O-N 3.45Å; W75-S77 VanDerWaalsContact C-N 3.29Å; W75-S77 PolarHBondContact O-N 3.44Å; S77-I80 PolarHBondContact O-N 3.47Å; S77-C81 PolarHBondContact O-N 3.2Å; S77-C81 PolarHBondContact O-SG 2.99Å; S77-C81 VanDerWaalsContact O-SG 3.33Å
78F85.4Confident80.2Confident86 Ų8658 Ų5838%0.37733%0.325SS..Hα-helixtrans-59.5-45.9174.1175.4-102.3000111.5G74 W75 I80 C81 F82 L96G74-F78 WeakPolarHBondContact O-CB 3.37Å; G74-F78 PolarHBondContact O-N 2.91Å; W75-F78 HydrophobicContact CZ3-CD1 4.5Å; W75-F78 WeakPolarHBondContact O-CB 3.2Å; W75-F78 PolarHBondContact O-N 3.28Å; F78-I80 PolarHBondContact O-N 2.62Å; F78-C81 PolarHBondContact O-N 2.9Å; F78-F82 VanDerWaalsContact O-CB 3.25Å; F78-F82 WeakPolarHBondContact O-CB 3.42Å; F78-F82 PolarHBondContact O-N 3.41Å; F78-L96 HydrophobicContact CE1-CD1 4.33Å; F78-L96 HydrophobicContact CE1-CD2 4.08Å; F78-L96 HydrophobicContact CZ-CD1 4.13Å
79I80.7Confident78.2Confident9 Ų959.1 Ų59.15%0.04634%0.335CS..Hα-helixtrans-58.7-44.9175.4-66.6-65.8000111.2W75 N76 F82 Y83 M97W75-I79 HydrophobicContact CZ2-CD1 4.18Å; W75-I79 WeakPolarHBondContact O-CG1 3.19Å; W75-I79 PolarHBondContact O-N 3.39Å; N76-I79 PolarHBondContact O-N 3.28Å; I79-F82 PolarHBondContact O-N 2.87Å; I79-Y83 HydrophobicContact CG2-CD2 3.6Å; I79-Y83 HydrophobicContact CG2-CE2 3.75Å; I79-Y83 WeakPolarHBondContact O-CB 3.4Å; I79-Y83 VanDerWaalsContact O-CD2 3.22Å; I79-Y83 WeakPolarHBondContact O-CD2 3.39Å; I79-Y83 PolarHBondContact O-N 3.46Å; I79-M97 HydrophobicContact CD1-CE 4.4Å; I79-M97 HydrophobicContact CD1-SD 4.4Å
80I82.7Confident76.3Confident30 Ų3062.1 Ų62.115%0.15436%0.357CS..Hα-helixtrans-61.8-47.9177.4-68.4167.6000111.5N76 S77 F78 F82 Y83 L84 V147 I154N76-I80 WeakPolarHBondContact O-CG1 3.24Å; N76-I80 PolarHBondContact O-N 2.98Å; S77-I80 PolarHBondContact O-N 3.47Å; F78-I80 PolarHBondContact O-N 2.62Å; I80-F82 VanDerWaalsContact C-N 3.28Å; I80-F82 PolarHBondContact O-N 2.83Å; I80-Y83 PolarHBondContact O-N 2.85Å; I80-L84 HydrophobicContact CG2-CD1 3.67Å; I80-L84 HydrophobicContact CG2-CG 4.24Å; I80-L84 WeakPolarHBondContact O-CB 3.22Å; I80-L84 WeakPolarHBondContact O-CG 3.28Å; I80-L84 PolarHBondContact O-N 2.72Å; I80-V147 HydrophobicContact CG2-CG1 4.35Å; I80-I154 HydrophobicContact CD1-CD1 3.52Å
81C82.1Confident74Confident65 Ų6566.7 Ų66.744%0.43937%0.372SS..Hα-helixtrans-61.3-39.3179.1-68.20000112.1S77 F78 E85 V86S77-C81 PolarHBondContact O-N 3.2Å; S77-C81 PolarHBondContact O-SG 2.99Å; S77-C81 VanDerWaalsContact O-SG 3.33Å; F78-C81 PolarHBondContact O-N 2.9Å; C81-E85 PolarHBondContact O-N 2.94Å; C81-V86 PolarHBondContact O-N 2.9Å
82F73.2Confident72.2Confident18 Ų1865.6 Ų65.68%0.07937%0.367CS..Hα-helixtrans-64.7-44176.7-178.1-98.1000112F78 I79 I80 E85 R93 M97F78-F82 VanDerWaalsContact O-CB 3.25Å; F78-F82 WeakPolarHBondContact O-CB 3.42Å; F78-F82 PolarHBondContact O-N 3.41Å; I79-F82 PolarHBondContact O-N 2.87Å; I80-F82 VanDerWaalsContact C-N 3.28Å; I80-F82 PolarHBondContact O-N 2.83Å; F82-E85 PolarHBondContact O-N 2.9Å; F82-R93 HydrophobicContact CE1-CG 4.13Å; F82-R93 HydrophobicContact CE2-CG 4.29Å; F82-R93 HydrophobicContact CZ-CB 4.19Å; F82-R93 HydrophobicContact CZ-CG 3.66Å; F82-M97 HydrophobicContact CE1-CE 4.17Å; F82-M97 HydrophobicContact CE1-CG 3.74Å; F82-M97 HydrophobicContact CE1-SD 4.1Å; F82-M97 HydrophobicContact CZ-CG 3.98Å
83Y70.7Confident70.4Confident21 Ų2169.3 Ų69.38%0.08238%0.381CS..Hα-helixtrans-72.7-31.4177-85.2-66.5000113.7Q33 I79 I80 E85 M97 Y142 Q143 E146Q33-Y83 PolarHBondContact NE2-OH 3.31Å; Q33-Y83 VanDerWaalsContact NE2-OH 3.08Å; I79-Y83 HydrophobicContact CG2-CD2 3.6Å; I79-Y83 HydrophobicContact CG2-CE2 3.75Å; I79-Y83 WeakPolarHBondContact O-CB 3.4Å; I79-Y83 VanDerWaalsContact O-CD2 3.22Å; I79-Y83 WeakPolarHBondContact O-CD2 3.39Å; I79-Y83 PolarHBondContact O-N 3.46Å; I80-Y83 PolarHBondContact O-N 2.85Å; Y83-E85 PolarHBondContact O-N 3.24Å; Y83-M97 HydrophobicContact CE2-CE 3.54Å; Y83-M97 VanDerWaalsContact CZ-CE 3.43Å; Y83-M97 WeakPolarHBondContact OH-CE 3.46Å; Y83-Y142 HydrophobicContact CE1-CE1 4.49Å; Y83-Y142 WeakPolarHBondContact OH-CE1 3.5Å; Y83-Q143 HydrophobicContact CD1-CB 4.38Å; Y83-Q143 HydrophobicContact CD1-CG 4.11Å; Y83-Q143 PolarHBondContact O-NE2 3.34Å; Y83-E146 HydrophobicContact CD2-CB 4.22Å; Y83-E146 WeakPolarHBondContact CE1-OE2 3.41Å; Y83-E146 HydrophobicContact CE2-CB 4.13Å; Y83-E146 HydrophobicContact CE2-CG 4.38Å; Y83-E146 WeakPolarHBondContact CE2-OE1 3.19Å; Y83-E146 WeakPolarHBondContact CE2-OE2 3.07Å; Y83-E146 PolarHBondContact OH-OE1 2.99Å; Y83-E146 PolarHBondContact OH-OE2 3.32Å
84L73.3Confident68.5Low94 Ų9472.7 Ų72.749%0.49240%0.398SS..THydrogen-bonded Turntrans-80.67.4175.4-68177.8000113.6I80 V86 V147I80-L84 HydrophobicContact CG2-CD1 3.67Å; I80-L84 HydrophobicContact CG2-CG 4.24Å; I80-L84 WeakPolarHBondContact O-CB 3.22Å; I80-L84 WeakPolarHBondContact O-CG 3.28Å; I80-L84 PolarHBondContact O-N 2.72Å; L84-V86 HydrophobicContact CB-CG2 4.09Å; L84-V86 PolarHBondContact O-N 3.02Å; L84-V86 VanDerWaalsContact O-N 3.11Å; L84-V147 HydrophobicContact CD2-CG2 4.35Å; L84-V147 HydrophobicContact CG-CG2 4.37Å
85E65.3Low66.7Low109 Ų10977 Ų7751%0.50941%0.405SS..THydrogen-bonded Turntrans52.731.4-179.9-59.4-170.4156.100113.7C81 F82 Y83 G87 R93C81-E85 PolarHBondContact O-N 2.94Å; F82-E85 PolarHBondContact O-N 2.9Å; Y83-E85 PolarHBondContact O-N 3.24Å; E85-G87 VanDerWaalsContact C-N 3.33Å; E85-G87 PolarHBondContact O-N 3.29Å; E85-R93 IonicContact OE1-CZ 3.69Å; E85-R93 VanDerWaalsContact OE1-CZ 3.24Å; E85-R93 IonicContact OE1-NH1 3.71Å; E85-R93 PolarHBondContact OE1-NH1 3.39Å; E85-R93 IonicContact OE1-NH2 3.41Å; E85-R93 PolarHBondContact OE1-NH2 3.15Å
86V59.6Low65.2Low105 Ų10575.9 Ų75.964%0.63641%0.405SS*.THydrogen-bonded Turntrans-74.191.5175.81790000108C81 L84C81-V86 PolarHBondContact O-N 2.9Å; L84-V86 HydrophobicContact CB-CG2 4.09Å; L84-V86 PolarHBondContact O-N 3.02Å; L84-V86 VanDerWaalsContact O-N 3.11Å
87G46.1Very low63.7Low51 Ų5176.2 Ų76.253%0.52641%0.406SS..THydrogen-bonded Turntrans106.759.7172.600000115.2E85 L89E85-G87 VanDerWaalsContact C-N 3.33Å; E85-G87 PolarHBondContact O-N 3.29Å; G87-L89 WeakPolarHBondContact O-CD1 3.32Å; G87-L89 PolarHBondContact O-N 3.41Å
88N48.1Very low62.2Low162 Ų16275.3 Ų75.387%0.86640%0.399SS*.SBendtrans4327.4158.8-137.526.1000117.7S90N88-S90 PolarHBondContact O-N 3.19Å
89L52.3Low60.4Low89 Ų8977.4 Ų77.447%0.46641%0.408SS..  trans-90.725.1-174.3-105135.2000111.7G87 Q91 D92G87-L89 WeakPolarHBondContact O-CD1 3.32Å; G87-L89 PolarHBondContact O-N 3.41Å; L89-Q91 PolarHBondContact O-N 2.87Å; L89-Q91 VanDerWaalsContact O-N 3.13Å; L89-D92 HydrophobicContact CD2-CB 4.33Å; L89-D92 PolarHBondContact O-N 3.44Å
90S52.5Low58.7Low64 Ų6483 Ų8345%0.44844%0.438SS..THydrogen-bonded Turntrans-65.2-17.7-173.263.10000113.8N88N88-S90 PolarHBondContact O-N 3.19Å
91Q46.3Very low57Low180 Ų18084.4 Ų84.484%0.84145%0.448SS*.THydrogen-bonded Turntrans-93.1-14.4-172.9-164155.6-3100114.3L89L89-Q91 PolarHBondContact O-N 2.87Å; L89-Q91 VanDerWaalsContact O-N 3.13Å
92D54.2Low55.2Low85 Ų8585.2 Ų85.246%0.45545%0.454SS..SBendtrans-98.97.8-179.5-84.8-36.9000113.9L89 D94 F95 L96L89-D92 HydrophobicContact CD2-CB 4.33Å; L89-D92 PolarHBondContact O-N 3.44Å; D92-D94 VanDerWaalsContact C-N 3.35Å; D92-D94 PolarHBondContact O-N 3.31Å; D92-F95 PolarHBondContact O-N 2.95Å; D92-L96 PolarHBondContact O-N 2.69Å
93R55.8Low53.9Low85 Ų8590.4 Ų90.432%0.32148%0.482SS..Hα-helixtrans-60.7-41.2-175.6-65.9-155.3-99.8-132.5-0.4113.8F82 E85 M97F82-R93 HydrophobicContact CE1-CG 4.13Å; F82-R93 HydrophobicContact CE2-CG 4.29Å; F82-R93 HydrophobicContact CZ-CB 4.19Å; F82-R93 HydrophobicContact CZ-CG 3.66Å; E85-R93 IonicContact OE1-CZ 3.69Å; E85-R93 VanDerWaalsContact OE1-CZ 3.24Å; E85-R93 IonicContact OE1-NH1 3.71Å; E85-R93 PolarHBondContact OE1-NH1 3.39Å; E85-R93 IonicContact OE1-NH2 3.41Å; E85-R93 PolarHBondContact OE1-NH2 3.15Å; R93-M97 WeakPolarHBondContact O-CB 3.46Å; R93-M97 PolarHBondContact O-N 3.07Å
94D54.5Low52.5Low103 Ų10395.8 Ų95.855%0.55151%0.508SS*.Hα-helixtrans-78.8-25-177.4-59.2-35.7000113.1D92 T98 F99 N100D92-D94 VanDerWaalsContact C-N 3.35Å; D92-D94 PolarHBondContact O-N 3.31Å; D94-T98 WeakPolarHBondContact CA-OG1 3.28Å; D94-T98 CarbonylContact O-C 3.59Å; D94-T98 PolarHBondContact O-OG1 3.46Å; D94-F99 PolarHBondContact O-N 3.41Å; D94-N100 PolarHBondContact O-N 2.9Å
95F52.4Low51.5Low132 Ų13297.1 Ų97.158%0.57951%0.506SS*.Hα-helixtrans-78.6-45.8179.9-174.9-103.2000111.7D92 F99D92-F95 PolarHBondContact O-N 2.95Å; F95-F99 VanDerWaalsContact O-CA 3.24Å; F95-F99 WeakPolarHBondContact O-CA 3.48Å; F95-F99 PolarHBondContact O-N 2.92Å; F95-F99 VanDerWaalsContact O-N 3.12Å
96L56.5Low50.9Low57 Ų5793.4 Ų93.430%0.29849%0.493SS..Hα-helixtrans-84.5-37.7-172-160.3147000112.8A35 F78 D92A35-L96 WeakPolarHBondContact CB-O 3.47Å; F78-L96 HydrophobicContact CE1-CD1 4.33Å; F78-L96 HydrophobicContact CE1-CD2 4.08Å; F78-L96 HydrophobicContact CZ-CD1 4.13Å; D92-L96 PolarHBondContact O-N 2.69Å
97M58.6Low50.7Low9 Ų993.9 Ų93.94%0.04448%0.483CS..THydrogen-bonded Turntrans-86.2-33-176.7-60.2-65.2-99.300112.5Q33 W34 P36 I79 F82 Y83 R93Q33-M97 CarbonylContact C-O 3.56Å; Q33-M97 WeakPolarHBondContact CA-O 3.29Å; W34-M97 PolarHBondContact N-O 3Å; P36-M97 HydrophobicContact CG-CE 4.27Å; P36-M97 HydrophobicContact CG-SD 4.23Å; I79-M97 HydrophobicContact CD1-CE 4.4Å; I79-M97 HydrophobicContact CD1-SD 4.4Å; F82-M97 HydrophobicContact CE1-CE 4.17Å; F82-M97 HydrophobicContact CE1-CG 3.74Å; F82-M97 HydrophobicContact CE1-SD 4.1Å; F82-M97 HydrophobicContact CZ-CG 3.98Å; Y83-M97 HydrophobicContact CE2-CE 3.54Å; Y83-M97 VanDerWaalsContact CZ-CE 3.43Å; Y83-M97 WeakPolarHBondContact OH-CE 3.46Å; R93-M97 WeakPolarHBondContact O-CB 3.46Å; R93-M97 PolarHBondContact O-N 3.07Å
98T55.9Low51Low27 Ų2794.4 Ų94.417%0.16647%0.469CS..THydrogen-bonded Turntrans-122.38.8-173.748.60000114.5D94 N100 T101D94-T98 WeakPolarHBondContact CA-OG1 3.28Å; D94-T98 CarbonylContact O-C 3.59Å; D94-T98 PolarHBondContact O-OG1 3.46Å; T98-N100 PolarHBondContact O-N 3.44Å; T98-N100 VanDerWaalsContact O-N 3.12Å; T98-T101 WeakPolarHBondContact O-CB 3.3Å; T98-T101 PolarHBondContact O-N 3.36Å; T98-T101 PolarHBondContact O-OG1 2.85Å
99F48.6Very low51.2Low130 Ų13091 Ų9157%0.5745%0.449SS*.THydrogen-bonded Turntrans47.742.3176.5-89.3-77000113.4W34 A35 D94 F95 T101W34-F99 HydrophobicContact CB-CD2 4.19Å; A35-F99 HydrophobicContact CB-CE2 4.09Å; D94-F99 PolarHBondContact O-N 3.41Å; F95-F99 VanDerWaalsContact O-CA 3.24Å; F95-F99 WeakPolarHBondContact O-CA 3.48Å; F95-F99 PolarHBondContact O-N 2.92Å; F95-F99 VanDerWaalsContact O-N 3.12Å; F99-T101 PolarHBondContact O-N 3.48Å; F99-T101 VanDerWaalsContact O-N 3.09Å
100N44.5Very low51.2Low127 Ų12791.6 Ų91.668%0.67945%0.45SS*.THydrogen-bonded Turntrans56.626.2-178.4-164.232.8000114D94 T98D94-N100 PolarHBondContact O-N 2.9Å; T98-N100 PolarHBondContact O-N 3.44Å; T98-N100 VanDerWaalsContact O-N 3.12Å
101T46.1Very low51.4Low60 Ų6094 Ų9437%0.36845%0.453SS..  trans-104.132.7174.766.70000112T98 F99 L103T98-T101 WeakPolarHBondContact O-CB 3.3Å; T98-T101 PolarHBondContact O-N 3.36Å; T98-T101 PolarHBondContact O-OG1 2.85Å; F99-T101 PolarHBondContact O-N 3.48Å; F99-T101 VanDerWaalsContact O-N 3.09Å; T101-L103 PolarHBondContact O-N 3.29Å
102S45.7Very low51.9Low81 Ų8186 Ų8657%0.56642%0.419SS*.THydrogen-bonded Turntrans-6322.3-171.664.20000116.4
103L44.4Very low51.6Low127 Ų12786.2 Ų86.267%0.66543%0.425SS*.THydrogen-bonded Turntrans-103.2-4-179.9-108.3156.3000113.7T101T101-L103 PolarHBondContact O-N 3.29Å
104H41.4Very low51.3Low135 Ų13584.8 Ų84.863%0.62544%0.438SS*.SBendtrans-97.7108.7175.1-72-70.9000111.2Y32 S106Y32-H104 HydrophobicContact CG-CB 4.36Å; H104-S106 PolarHBondContact O-N 2.82Å
105R52.8Low51.3Low121 Ų12181.3 Ų81.346%0.45742%0.421SS..  trans-59.6127.1174.2-63.2-179.5-174.4162.45.1109.8Y32 E110Y32-R105 VanDerWaalsContact CE2-O 3.29Å; Y32-R105 WeakPolarHBondContact CE2-O 3.19Å; R105-E110 IonicContact NH1-OE1 3.91Å
106S53.8Low51.1Low31 Ų3181.4 Ų81.422%0.21743%0.427CS..  trans-71.7143.5175.663.70000110.9H104 W108 M109H104-S106 PolarHBondContact O-N 2.82Å; S106-W108 PolarHBondContact O-N 2.91Å; S106-W108 VanDerWaalsContact O-N 3.1Å; S106-M109 WeakPolarHBondContact O-CB 3.47Å; S106-M109 PolarHBondContact O-N 2.94Å
107W54.2Low50.8Low115 Ų11582.3 Ų82.344%0.43643%0.434SS..Hα-helixtrans-56.6-30.4179179.486.9000111.7L30 E110 H111L30-W107 HydrophobicContact CD2-CB 4.23Å; L30-W107 HydrophobicContact CD2-CD2 4.17Å; L30-W107 HydrophobicContact CD2-CE3 4.18Å; L30-W107 HydrophobicContact CD2-CG 4.2Å; L30-W107 PolarHBondContact O-N 3.47Å; W107-E110 PolarHBondContact O-N 3.41Å; W107-H111 AromaticContact CD1-ND1 3.98Å; W107-H111 HydrophobicContact CD2-CB 4.23Å; W107-H111 HydrophobicContact CE3-CB 4.46Å; W107-H111 HydrophobicContact CH2-CB 4Å; W107-H111 HydrophobicContact CZ2-CB 3.74Å; W107-H111 HydrophobicContact CZ3-CB 4.35Å; W107-H111 AromaticContact NE1-CG 4Å; W107-H111 AromaticContact NE1-ND1 3.71Å; W107-H111 PolarHBondContact O-N 3.5Å
108W53.3Low50Low63 Ų6385.2 Ų85.224%0.23945%0.453CS..Hα-helixtrans-65.7-31.5175.3-67.3106.9000114.6F27 L30 S106 E110 G112F27-W108 AromaticContact CD1-CZ2 3.97Å; F27-W108 HydrophobicContact CD1-CZ2 3.97Å; F27-W108 HydrophobicContact CE1-CZ2 4.19Å; L30-W108 VanDerWaalsContact CB-NE1 3.28Å; L30-W108 HydrophobicContact CD1-CZ2 3.96Å; S106-W108 PolarHBondContact O-N 2.91Å; S106-W108 VanDerWaalsContact O-N 3.1Å; W108-E110 VanDerWaalsContact C-N 3.25Å; W108-E110 PolarHBondContact O-N 2.99Å; W108-G112 WeakPolarHBondContact O-CA 3.43Å; W108-G112 PolarHBondContact O-N 3.33Å
109M51.1Low49.6Very low91 Ų9188.7 Ų88.745%0.44848%0.476SS..Hα-helixtrans-66.7-30.4174.3-107.5-170.7177.100111.9S106 V135S106-M109 WeakPolarHBondContact O-CB 3.47Å; S106-M109 PolarHBondContact O-N 2.94Å; M109-V135 HydrophobicContact CE-CG2 4.48Å; M109-V135 HydrophobicContact CG-CG2 3.93Å
110E53.9Low49.5Very low101 Ų10186.8 Ų86.847%0.47247%0.474SS..Hα-helixtrans-94.1-29.3-177.4-66.9-176.3167.800113.2R105 W107 W108R105-E110 IonicContact NH1-OE1 3.91Å; W107-E110 PolarHBondContact O-N 3.41Å; W108-E110 VanDerWaalsContact C-N 3.25Å; W108-E110 PolarHBondContact O-N 2.99Å
111H55.8Low49.4Very low113 Ų11388 Ų8852%0.52348%0.48SS..Hα-helixtrans-127.415.3-172.1-63.684000114.7W107W107-H111 AromaticContact CD1-ND1 3.98Å; W107-H111 HydrophobicContact CD2-CB 4.23Å; W107-H111 HydrophobicContact CE3-CB 4.46Å; W107-H111 HydrophobicContact CH2-CB 4Å; W107-H111 HydrophobicContact CZ2-CB 3.74Å; W107-H111 HydrophobicContact CZ3-CB 4.35Å; W107-H111 AromaticContact NE1-CG 4Å; W107-H111 AromaticContact NE1-ND1 3.71Å; W107-H111 PolarHBondContact O-N 3.5Å
112G57Low49.2Very low12 Ų1291.5 Ų91.512%0.12450%0.497CS..  trans-61129.9-179.900000113.4W108 G114 C115W108-G112 WeakPolarHBondContact O-CA 3.43Å; W108-G112 PolarHBondContact O-N 3.33Å; G112-G114 PolarHBondContact O-N 3.35Å; G112-C115 PolarHBondContact O-N 2.92Å
113P48.1Very low48.8Very low90 Ų9092 Ų9258%0.58450%0.5SS*.THydrogen-bonded Turntrans-64.3119.517824.5-31.8000111.2
114G48.3Very low48.8Very low56 Ų5697.6 Ų97.658%0.57751%0.512SS*.THydrogen-bonded Turntrans88.62.4178.800000115.3G112G112-G114 PolarHBondContact O-N 3.35Å
115C54.3Low49Very low29 Ų2999.4 Ų99.420%0.19653%0.526CS..  trans-77.6127.6175.4-880000111.6G112 V135 C138G112-C115 PolarHBondContact O-N 2.92Å; C115-V135 HydrophobicContact CB-CG1 4Å; C115-V135 WeakPolarHBondContact SG-CG1 3.37Å; C115-C138 HydrophobicContact CB-CB 4.36Å; C115-C138 WeakPolarHBondContact CB-SG 3.48Å; C115-C138 WeakPolarHBondContact SG-CB 3.32Å; C115-C138 CovalentContact SG-SG 2.03Å; C115-C138 PolarHBondContact SG-SG 3.38Å
116L48.2Very low48.3Very low135 Ų13596.8 Ų96.871%0.70753%0.53SS*.BIsolated β-bridgetrans-86.6107.1165.1-90.2151.7000108.6T118L116-T118 PolarHBondContact O-N 3.03Å; L116-T118 VanDerWaalsContact O-N 3.12Å
117V50.6Low47.7Very low75 Ų75100.5 Ų100.546%0.45555%0.554SS.*  trans-7598.5172.9-177.70000107.8P119 I133V117-P119 VanDerWaalsContact O-CD 3.26Å; V117-P119 WeakPolarHBondContact O-CD 3.41Å; V117-I133 HydrophobicContact CG1-CG2 4.03Å
118T43.2Very low47.2Very low70 Ų70102.9 Ų102.943%0.42958%0.575SS.*  trans-92.4106.2167.244.20000109.2L116 V120L116-T118 PolarHBondContact O-N 3.03Å; L116-T118 VanDerWaalsContact O-N 3.12Å; T118-V120 PolarHBondContact O-N 3.3Å
119P46.7Very low46.5Very low101 Ų101106 Ų10666%0.65660%0.596SS**  trans-66.4122.5168.328.1-32.3000108.3V117 L121V117-P119 VanDerWaalsContact O-CD 3.26Å; V117-P119 WeakPolarHBondContact O-CD 3.41Å; P119-L121 PolarHBondContact O-N 3.21Å; P119-L121 VanDerWaalsContact O-N 3.09Å
120V46.1Very low46.1Very low89 Ų89107.2 Ų107.254%0.53960%0.6SS.*  trans-69.2106.9171.1178.70000107.1T118T118-V120 PolarHBondContact O-N 3.3Å
121L43.3Very low45.3Very low152 Ų152108.8 Ų108.880%0.79661%0.608SS**  trans-78.9117.5172.5-16776.6000108.9P119P119-L121 PolarHBondContact O-N 3.21Å; P119-L121 VanDerWaalsContact O-N 3.09Å
122D42.2Very low44.4Very low135 Ų135108.6 Ų108.672%0.72261%0.614SS**  trans54.497158.3-68-27.5000119.1
123S37Very low43.8Very low91 Ų91110.4 Ų110.464%0.63662%0.62SS**  trans-105.5112.5142.745.60000109L125 A126S123-L125 PolarHBondContact O-N 3.32Å; S123-A126 PolarHBondContact O-N 3.4Å
124R42.9Very low43.3Very low244 Ų244109.9 Ų109.992%0.92162%0.616SS**THydrogen-bonded Turntrans-60.424.3-172.9-68.7-176168.1-171.9-3.6117
125L45.8Very low43.1Very low174 Ų174109.3 Ų109.391%0.91160%0.601SS**THydrogen-bonded Turntrans-136.96.3-177.7-99.398.9000115.1S123S123-L125 PolarHBondContact O-N 3.32Å
126A38.7Very low42.3Very low66 Ų66111.8 Ų111.855%0.54562%0.618SS.*SBendtrans-97133.8176.600000110.7S123S123-A126 PolarHBondContact O-N 3.4Å
127P41.1Very low42.1Very low109 Ų109108.4 Ų108.471%0.70862%0.616SS**  trans-58.3141174.1-17.930000111.2D129P127-D129 PolarHBondContact O-N 2.92Å
128D43.8Very low42Very low165 Ų165106.9 Ų106.988%0.88261%0.608SS**THydrogen-bonded Turntrans-55.994.8175.4-74-50.1000111.1
129D39.4Very low41.8Very low128 Ų128111.4 Ų111.468%0.68463%0.629SS**THydrogen-bonded Turntrans173.12.4147.5-110-14.4000114.6P127P127-D129 PolarHBondContact O-N 2.92Å
130H41.1Very low41.7Very low117 Ų117111.7 Ų111.754%0.54262%0.624SS.*  trans-120.879.3-172.4-57.8-31.5000111.6V132H130-V132 VanDerWaalsContact C-N 3.35Å; H130-V132 PolarHBondContact O-N 3.44Å
131H37.8Very low42.2Very low134 Ų134111.6 Ų111.662%0.6262%0.621SS**  trans-66.194.8165.9-46-68.9000109I133H131-I133 PolarHBondContact O-N 2.85Å; H131-I133 VanDerWaalsContact O-N 3.17Å
132V37.8Very low43.1Very low108 Ų108107.1 Ų107.166%0.65559%0.594SS**  trans-77.993.9170.1-177.20000107.2H130 T134H130-V132 VanDerWaalsContact C-N 3.35Å; H130-V132 PolarHBondContact O-N 3.44Å; V132-T134 PolarHBondContact O-N 2.92Å
133I43.9Very low44.1Very low50 Ų50103.4 Ų103.426%0.25657%0.572SS.*  trans-84.7109.6173.6-59.6171.2000106.8V117 H131 V135V117-I133 HydrophobicContact CG1-CG2 4.03Å; H131-I133 PolarHBondContact O-N 2.85Å; H131-I133 VanDerWaalsContact O-N 3.17Å; I133-V135 HydrophobicContact CG2-CG2 3.99Å; I133-V135 PolarHBondContact O-N 3.3Å
134T36.8Very low45.8Very low80 Ų80106.8 Ų106.849%0.49157%0.572SS.*  trans-79.1100.9170.547.50000108.6V132 S136V132-T134 PolarHBondContact O-N 2.92Å; T134-S136 PolarHBondContact O-N 3Å
135V43.9Very low47.3Very low44 Ų4497.3 Ų97.327%0.26754%0.539SS..  trans-79.8111.3175.7-175.80000108.2M109 C115 I133M109-V135 HydrophobicContact CE-CG2 4.48Å; M109-V135 HydrophobicContact CG-CG2 3.93Å; C115-V135 HydrophobicContact CB-CG1 4Å; C115-V135 WeakPolarHBondContact SG-CG1 3.37Å; I133-V135 HydrophobicContact CG2-CG2 3.99Å; I133-V135 PolarHBondContact O-N 3.3Å
136S38.8Very low48.8Very low80 Ų8089.4 Ų89.456%0.55950%0.498SS*.BIsolated β-bridgetrans-118.4131.3175.149.30000109.8T134T134-S136 PolarHBondContact O-N 3Å
137G42.9Very low50.9Low64 Ų6487.8 Ų87.866%0.6648%0.481SS*.  trans9735.1169.300000118.1
138C49.3Very low53Low44 Ų4487.9 Ų87.930%0.29748%0.475SS..  trans-72.5137.2166.5-114.20000111.3C115 L140C115-C138 HydrophobicContact CB-CB 4.36Å; C115-C138 WeakPolarHBondContact CB-SG 3.48Å; C115-C138 WeakPolarHBondContact SG-CB 3.32Å; C115-C138 CovalentContact SG-SG 2.03Å; C115-C138 PolarHBondContact SG-SG 3.38Å; C138-L140 VanDerWaalsContact C-N 3.27Å; C138-L140 PolarHBondContact O-N 2.82Å
139L39.5Very low54.9Low164 Ų16481 Ų8186%0.85944%0.439SS*.SBendtrans-75.6-12.5-174.8-164.1118.5000113.5
140L44.3Very low57.2Low107 Ų10774.9 Ų74.956%0.5641%0.407SS*.SBendtrans-136.5103.6175.2-166.671.4000108.5C138 I145C138-L140 VanDerWaalsContact C-N 3.27Å; C138-L140 PolarHBondContact O-N 2.82Å; L140-I145 HydrophobicContact CD2-CD1 3.81Å; L140-I145 HydrophobicContact CD2-CG1 4.12Å; L140-I145 HydrophobicContact CG-CD1 4.29Å; L140-I145 HydrophobicContact CG-CG1 4.35Å
141D56.6Low59.5Low87 Ų8771.1 Ų71.147%0.46540%0.396SS..  trans-70.6135.2-176.6-134.6-25.6000110.6Q143 Y144D141-Q143 HydrophobicContact CB-CB 4.44Å; D141-Q143 PolarHBondContact O-N 2.95Å; D141-Q143 VanDerWaalsContact O-N 3.14Å; D141-Y144 HydrophobicContact CB-CD2 3.66Å; D141-Y144 HydrophobicContact CB-CE2 4.07Å; D141-Y144 PolarHBondContact O-N 3.3Å
142Y60.6Low62Low58 Ų5868.3 Ų68.323%0.22739%0.385CS..Hα-helixtrans-54.5-34.7179.9175.3-107.8000111.6Q33 Y83 Y144 I145 E146Q33-Y142 VanDerWaalsContact CD-OH 3.27Å; Q33-Y142 PolarHBondContact NE2-OH 3.47Å; Q33-Y142 PolarHBondContact OE1-OH 3.13Å; Q33-Y142 VanDerWaalsContact OE1-OH 3.1Å; Y83-Y142 HydrophobicContact CE1-CE1 4.49Å; Y83-Y142 WeakPolarHBondContact OH-CE1 3.5Å; Y142-Y144 VanDerWaalsContact C-N 3.29Å; Y142-Y144 PolarHBondContact O-N 2.98Å; Y142-I145 PolarHBondContact O-N 3.32Å; Y142-I145 VanDerWaalsContact O-N 3.14Å; Y142-E146 HydrophobicContact CD1-CG 4.48Å; Y142-E146 WeakPolarHBondContact CD1-OE2 3.37Å; Y142-E146 HydrophobicContact CE1-CG 4.03Å; Y142-E146 WeakPolarHBondContact CE1-OE1 2.85Å; Y142-E146 WeakPolarHBondContact CE1-OE2 3.03Å; Y142-E146 HydrophobicContact CE2-CG 4.2Å; Y142-E146 PolarHBondContact O-N 3.2Å; Y142-E146 VanDerWaalsContact O-N 3.07Å; Y142-E146 VanDerWaalsContact OH-CD 3.29Å; Y142-E146 PolarHBondContact OH-OE1 3.36Å
143Q64.9Low64.5Low57 Ų5763.6 Ų63.627%0.26636%0.355SS..Hα-helixtrans-51.4-41.1172.8-173.8-178.3-5.200113.5Y83 D141 V147Y83-Q143 HydrophobicContact CD1-CB 4.38Å; Y83-Q143 HydrophobicContact CD1-CG 4.11Å; Y83-Q143 PolarHBondContact O-NE2 3.34Å; D141-Q143 HydrophobicContact CB-CB 4.44Å; D141-Q143 PolarHBondContact O-N 2.95Å; D141-Q143 VanDerWaalsContact O-N 3.14Å; Q143-V147 WeakPolarHBondContact O-CB 3.49Å; Q143-V147 WeakPolarHBondContact O-CG2 2.87Å; Q143-V147 PolarHBondContact O-N 3.09Å
144Y72.4Confident66.8Low162 Ų16262.4 Ų62.464%0.63535%0.349SS*.Hα-helixtrans-73-37.9-179.8-74.4-80.4000112.3D141 Y142 E146 L148D141-Y144 HydrophobicContact CB-CD2 3.66Å; D141-Y144 HydrophobicContact CB-CE2 4.07Å; D141-Y144 PolarHBondContact O-N 3.3Å; Y142-Y144 VanDerWaalsContact C-N 3.29Å; Y142-Y144 PolarHBondContact O-N 2.98Å; Y144-E146 VanDerWaalsContact C-N 3.32Å; Y144-L148 WeakPolarHBondContact O-CB 3.39Å; Y144-L148 PolarHBondContact O-N 2.94Å
145I74.8Confident69.4Low46 Ų4663.2 Ų63.224%0.23635%0.35CS..Hα-helixtrans-65-41.9178.8-59.8176.8000109.5L140 Y142 S149L140-I145 HydrophobicContact CD2-CD1 3.81Å; L140-I145 HydrophobicContact CD2-CG1 4.12Å; L140-I145 HydrophobicContact CG-CD1 4.29Å; L140-I145 HydrophobicContact CG-CG1 4.35Å; Y142-I145 PolarHBondContact O-N 3.32Å; Y142-I145 VanDerWaalsContact O-N 3.14Å; I145-S149 WeakPolarHBondContact O-CB 3.23Å; I145-S149 PolarHBondContact O-N 3.43Å; I145-S149 PolarHBondContact O-OG 3.14Å
146E77.3Confident71.7Confident8 Ų863 Ų634%0.03735%0.347CS..Hα-helixtrans-71.6-42178.3-75.6175.112400113.5R24 Q33 Y83 Y142 Y144 L148 S149 S150R24-E146 PolarHBondContact NH2-O 2.91Å; Q33-E146 PolarHBondContact OE1-OE1 3.43Å; Y83-E146 HydrophobicContact CD2-CB 4.22Å; Y83-E146 WeakPolarHBondContact CE1-OE2 3.41Å; Y83-E146 HydrophobicContact CE2-CB 4.13Å; Y83-E146 HydrophobicContact CE2-CG 4.38Å; Y83-E146 WeakPolarHBondContact CE2-OE1 3.19Å; Y83-E146 WeakPolarHBondContact CE2-OE2 3.07Å; Y83-E146 PolarHBondContact OH-OE1 2.99Å; Y83-E146 PolarHBondContact OH-OE2 3.32Å; Y142-E146 HydrophobicContact CD1-CG 4.48Å; Y142-E146 WeakPolarHBondContact CD1-OE2 3.37Å; Y142-E146 HydrophobicContact CE1-CG 4.03Å; Y142-E146 WeakPolarHBondContact CE1-OE1 2.85Å; Y142-E146 WeakPolarHBondContact CE1-OE2 3.03Å; Y142-E146 HydrophobicContact CE2-CG 4.2Å; Y142-E146 PolarHBondContact O-N 3.2Å; Y142-E146 VanDerWaalsContact O-N 3.07Å; Y142-E146 VanDerWaalsContact OH-CD 3.29Å; Y142-E146 PolarHBondContact OH-OE1 3.36Å; Y144-E146 VanDerWaalsContact C-N 3.32Å; E146-L148 VanDerWaalsContact C-N 3.32Å; E146-L148 PolarHBondContact O-N 3.38Å; E146-S149 WeakPolarHBondContact CA-OG 3.48Å; E146-S149 PolarHBondContact O-N 3Å; E146-S149 PolarHBondContact O-OG 3.41Å; E146-S150 VanDerWaalsContact O-CB 3.24Å; E146-S150 WeakPolarHBondContact O-CB 2.91Å; E146-S150 PolarHBondContact O-N 3.07Å; E146-S150 PolarHBondContact O-OG 3.19Å
147V81.5Confident74.2Confident31 Ų3159.2 Ų59.219%0.18832%0.321CS..Hα-helixtrans-62.2-44.2175.6170.90000110.2I80 L84 Q143 S150 A151I80-V147 HydrophobicContact CG2-CG1 4.35Å; L84-V147 HydrophobicContact CD2-CG2 4.35Å; L84-V147 HydrophobicContact CG-CG2 4.37Å; Q143-V147 WeakPolarHBondContact O-CB 3.49Å; Q143-V147 WeakPolarHBondContact O-CG2 2.87Å; Q143-V147 PolarHBondContact O-N 3.09Å; V147-S150 PolarHBondContact O-N 3.14Å; V147-A151 WeakPolarHBondContact O-CB 3.29Å; V147-A151 PolarHBondContact O-N 3.35Å
148L84.7Confident76.6Confident112 Ų11260.3 Ų60.359%0.58631%0.311SS*.Hα-helixtrans-64-47.2178.7-177.764.4000111.8Y144 E146 S150 A151 I152Y144-L148 WeakPolarHBondContact O-CB 3.39Å; Y144-L148 PolarHBondContact O-N 2.94Å; E146-L148 VanDerWaalsContact C-N 3.32Å; E146-L148 PolarHBondContact O-N 3.38Å; L148-S150 VanDerWaalsContact C-N 3.3Å; L148-S150 PolarHBondContact O-N 3.26Å; L148-A151 PolarHBondContact O-N 3.35Å; L148-I152 HydrophobicContact CD1-CD1 4.44Å; L148-I152 HydrophobicContact CG-CD1 4.12Å; L148-I152 VanDerWaalsContact O-CG1 3.3Å; L148-I152 WeakPolarHBondContact O-CG1 3.4Å; L148-I152 PolarHBondContact O-N 2.76Å
149S85.8Confident78.6Confident19 Ų1964 Ų6413%0.13332%0.323CS..Hα-helixtrans-67.6-31.1178.851.50000112.2R24 I145 E146 I152 Q153R24-S149 PolarHBondContact NE-OG 2.94Å; R24-S149 VanDerWaalsContact NE-OG 3.14Å; R24-S149 PolarHBondContact NH1-O 3Å; R24-S149 PolarHBondContact NH2-OG 2.94Å; I145-S149 WeakPolarHBondContact O-CB 3.23Å; I145-S149 PolarHBondContact O-N 3.43Å; I145-S149 PolarHBondContact O-OG 3.14Å; E146-S149 WeakPolarHBondContact CA-OG 3.48Å; E146-S149 PolarHBondContact O-N 3Å; E146-S149 PolarHBondContact O-OG 3.41Å; S149-I152 PolarHBondContact O-N 2.76Å; S149-Q153 WeakPolarHBondContact O-CG 3.42Å; S149-Q153 PolarHBondContact O-N 2.57Å
150S86.1Confident81Confident0 Ų056.2 Ų56.20%028%0.282CS..Hα-helixtrans-69.4-41.5172.8-65.90000111.7R24 E146 V147 L148 I152 Q153 I154R24-S150 PolarHBondContact NH1-OG 2.94Å; R24-S150 PolarHBondContact NH2-OG 3.18Å; E146-S150 VanDerWaalsContact O-CB 3.24Å; E146-S150 WeakPolarHBondContact O-CB 2.91Å; E146-S150 PolarHBondContact O-N 3.07Å; E146-S150 PolarHBondContact O-OG 3.19Å; V147-S150 PolarHBondContact O-N 3.14Å; L148-S150 VanDerWaalsContact C-N 3.3Å; L148-S150 PolarHBondContact O-N 3.26Å; S150-I152 PolarHBondContact O-N 2.64Å; S150-Q153 PolarHBondContact O-N 2.85Å; S150-I154 VanDerWaalsContact O-CG1 3.31Å; S150-I154 WeakPolarHBondContact O-CG1 3.45Å; S150-I154 PolarHBondContact O-N 3.14Å
151A89.2Confident83.3Confident38 Ų3854.7 Ų54.731%0.31427%0.271SS..Hα-helixtrans-61.6-44.4174.600000111.4V147 L148 Q153 I154 L155V147-A151 WeakPolarHBondContact O-CB 3.29Å; V147-A151 PolarHBondContact O-N 3.35Å; L148-A151 PolarHBondContact O-N 3.35Å; A151-Q153 VanDerWaalsContact C-N 3.35Å; A151-Q153 PolarHBondContact O-N 3.46Å; A151-I154 PolarHBondContact O-N 3.08Å; A151-L155 WeakPolarHBondContact O-CG 3.42Å; A151-L155 PolarHBondContact O-N 3.33Å
152I90.1Very high85Confident75 Ų7554.9 Ų54.939%0.38528%0.275SS..Hα-helixtrans-59.6-46.2175.5-69.4167000110.5L148 S149 S150 I154 L155 L156L148-I152 HydrophobicContact CD1-CD1 4.44Å; L148-I152 HydrophobicContact CG-CD1 4.12Å; L148-I152 VanDerWaalsContact O-CG1 3.3Å; L148-I152 WeakPolarHBondContact O-CG1 3.4Å; L148-I152 PolarHBondContact O-N 2.76Å; S149-I152 PolarHBondContact O-N 2.76Å; S150-I152 PolarHBondContact O-N 2.64Å; I152-I154 PolarHBondContact O-N 3.37Å; I152-L155 PolarHBondContact O-N 3.11Å; I152-L156 HydrophobicContact CG2-CD1 3.75Å; I152-L156 WeakPolarHBondContact O-CD1 3.36Å; I152-L156 PolarHBondContact O-N 2.81Å
153Q90.4Very high86.4Confident9 Ų956 Ų564%0.04228%0.279CS..Hα-helixtrans-63.9-38.5178.2-76.6-167.8-11.300113.1N76 S149 S150 A151 L156 A157N76-Q153 PolarHBondContact ND2-OE1 2.88Å; N76-Q153 PolarHBondContact OD1-OE1 3.32Å; S149-Q153 WeakPolarHBondContact O-CG 3.42Å; S149-Q153 PolarHBondContact O-N 2.57Å; S150-Q153 PolarHBondContact O-N 2.85Å; A151-Q153 VanDerWaalsContact C-N 3.35Å; A151-Q153 PolarHBondContact O-N 3.46Å; Q153-L156 PolarHBondContact O-N 2.7Å; Q153-A157 WeakPolarHBondContact O-CB 3.41Å; Q153-A157 PolarHBondContact O-N 3.28Å
154I92.4Very high87.5Confident25 Ų2553.3 Ų53.313%0.12827%0.266CS..Hα-helixtrans-61.4-47.6173.6-70.4168000110.3V73 N76 I80 S150 A151 I152 L156 A157 L158V73-I154 HydrophobicContact CG1-CG2 4.25Å; N76-I154 HydrophobicContact CB-CD1 3.82Å; N76-I154 HydrophobicContact CB-CG1 3.49Å; N76-I154 VanDerWaalsContact CB-CG1 3.49Å; I80-I154 HydrophobicContact CD1-CD1 3.52Å; S150-I154 VanDerWaalsContact O-CG1 3.31Å; S150-I154 WeakPolarHBondContact O-CG1 3.45Å; S150-I154 PolarHBondContact O-N 3.14Å; A151-I154 PolarHBondContact O-N 3.08Å; I152-I154 PolarHBondContact O-N 3.37Å; I154-L156 PolarHBondContact O-N 3.27Å; I154-A157 PolarHBondContact O-N 2.88Å; I154-L158 HydrophobicContact CG2-CD1 4.01Å; I154-L158 HydrophobicContact CG2-CG 4.31Å; I154-L158 VanDerWaalsContact O-CG 3.31Å; I154-L158 WeakPolarHBondContact O-CG 3.38Å; I154-L158 PolarHBondContact O-N 2.85Å
155L92.5Very high88.4Confident98 Ų9847.8 Ų47.851%0.51325%0.251SS..Hα-helixtrans-59.3-48178.6-70.4173.5000111.4A151 I152 A157 L158 F159A151-L155 WeakPolarHBondContact O-CG 3.42Å; A151-L155 PolarHBondContact O-N 3.33Å; I152-L155 PolarHBondContact O-N 3.11Å; L155-A157 VanDerWaalsContact C-N 3.3Å; L155-A157 PolarHBondContact O-N 3.5Å; L155-L158 PolarHBondContact O-N 2.63Å; L155-F159 WeakPolarHBondContact O-CD2 3.34Å; L155-F159 PolarHBondContact O-N 3.1Å; L155-F159 VanDerWaalsContact O-N 3.09Å
156L91.3Very high89.1Confident38 Ų3852 Ų5220%0.19927%0.265CS..Hα-helixtrans-62.7-36.9177-90.875000112.2L16 Q17 A20 I152 Q153 I154 G160L16-L156 HydrophobicContact CB-CD2 3.92Å; Q17-L156 HydrophobicContact CG-CB 3.9Å; Q17-L156 HydrophobicContact CG-CD2 4.05Å; Q17-L156 HydrophobicContact CG-CG 4.5Å; Q17-L156 PolarHBondContact NE2-O 3.41Å; A20-L156 HydrophobicContact CB-CD2 4.22Å; I152-L156 HydrophobicContact CG2-CD1 3.75Å; I152-L156 WeakPolarHBondContact O-CD1 3.36Å; I152-L156 PolarHBondContact O-N 2.81Å; Q153-L156 PolarHBondContact O-N 2.7Å; I154-L156 PolarHBondContact O-N 3.27Å; L156-G160 PolarHBondContact O-N 3.33Å
157A91.9Very high89.5Confident1 Ų151.9 Ų51.91%0.00827%0.265CS..Hα-helixtrans-68.9-38.3177.400000112.2L69 V73 Q153 I154 L155 G160 F161L69-A157 HydrophobicContact CD2-CB 4.13Å; V73-A157 HydrophobicContact CG2-CB 3.68Å; Q153-A157 WeakPolarHBondContact O-CB 3.41Å; Q153-A157 PolarHBondContact O-N 3.28Å; I154-A157 PolarHBondContact O-N 2.88Å; L155-A157 VanDerWaalsContact C-N 3.3Å; L155-A157 PolarHBondContact O-N 3.5Å; A157-G160 PolarHBondContact O-N 3.47Å; A157-F161 WeakPolarHBondContact O-CB 3.24Å; A157-F161 PolarHBondContact O-N 3.19Å
158L93.3Very high89.8Confident87 Ų8751 Ų5146%0.45526%0.26SS..Hα-helixtrans-63.7-47.1175.1-71.3173.5000111.5I154 L155 G160 F161 V162I154-L158 HydrophobicContact CG2-CD1 4.01Å; I154-L158 HydrophobicContact CG2-CG 4.31Å; I154-L158 VanDerWaalsContact O-CG 3.31Å; I154-L158 WeakPolarHBondContact O-CG 3.38Å; I154-L158 PolarHBondContact O-N 2.85Å; L155-L158 PolarHBondContact O-N 2.63Å; L158-G160 VanDerWaalsContact C-N 3.35Å; L158-F161 PolarHBondContact O-N 2.88Å; L158-V162 WeakPolarHBondContact O-CG2 3.1Å; L158-V162 PolarHBondContact O-N 3.36Å; L158-V162 VanDerWaalsContact O-N 3.09Å
159F91.1Very high89.9Confident123 Ų12351.8 Ų51.854%0.53926%0.259SS..Hα-helixtrans-61.8-45173.8-73.4-62.7000111.2I13 L155 F161 V162 Y163I13-F159 HydrophobicContact CD1-CB 4.43Å; L155-F159 WeakPolarHBondContact O-CD2 3.34Å; L155-F159 PolarHBondContact O-N 3.1Å; L155-F159 VanDerWaalsContact O-N 3.09Å; F159-F161 VanDerWaalsContact C-N 3.28Å; F159-F161 PolarHBondContact O-N 3.24Å; F159-V162 PolarHBondContact O-N 3.39Å; F159-Y163 WeakPolarHBondContact O-CD2 3.44Å; F159-Y163 PolarHBondContact O-N 3.3Å
160G90Very high89.9Confident0 Ų053.1 Ų53.10%027%0.266CS..Hα-helixtrans-56.6-41.1175.500000112.7L69 L156 A157 L158 A164L69-G160 VanDerWaalsContact CD1-C 3.45Å; L156-G160 PolarHBondContact O-N 3.33Å; A157-G160 PolarHBondContact O-N 3.47Å; L158-G160 VanDerWaalsContact C-N 3.35Å; G160-A164 WeakPolarHBondContact O-CB 3.48Å; G160-A164 PolarHBondContact O-N 2.99Å
161F92.9Very high89.8Confident75 Ų7553.5 Ų53.533%0.32927%0.268SS..Hα-helixtrans-66.3-47.8-179.8176.9-98.9000111.5A66 L69 V70 A157 L158 F159 Y163 A164 C165A66-F161 HydrophobicContact CB-CD2 4.13Å; A66-F161 HydrophobicContact CB-CE2 4.16Å; L69-F161 HydrophobicContact CB-CB 4.45Å; L69-F161 HydrophobicContact CD1-CB 4.05Å; L69-F161 VanDerWaalsContact CD1-N 3.31Å; V70-F161 HydrophobicContact CG2-CD2 4.03Å; V70-F161 HydrophobicContact CG2-CE2 3.75Å; V70-F161 HydrophobicContact CG2-CZ 4.43Å; A157-F161 WeakPolarHBondContact O-CB 3.24Å; A157-F161 PolarHBondContact O-N 3.19Å; L158-F161 PolarHBondContact O-N 2.88Å; F159-F161 VanDerWaalsContact C-N 3.28Å; F159-F161 PolarHBondContact O-N 3.24Å; F161-Y163 PolarHBondContact O-N 3.37Å; F161-A164 PolarHBondContact O-N 3.32Å; F161-C165 WeakPolarHBondContact O-CB 3.43Å; F161-C165 PolarHBondContact O-N 3.06Å; F161-C165 PolarHBondContact O-SG 3.27Å; F161-C165 VanDerWaalsContact O-SG 3.37Å
162V92.2Very high89.5Confident90 Ų9055.6 Ų55.655%0.54527%0.271SS..Hα-helixtrans-59.5-47.3178.2173.70000110.9L158 F159 C165 Y166L158-V162 WeakPolarHBondContact O-CG2 3.1Å; L158-V162 PolarHBondContact O-N 3.36Å; L158-V162 VanDerWaalsContact O-N 3.09Å; F159-V162 PolarHBondContact O-N 3.39Å; V162-C165 PolarHBondContact O-N 3.06Å; V162-Y166 WeakPolarHBondContact O-CB 3.47Å; V162-Y166 PolarHBondContact O-N 3.37Å
163Y89.4Confident89Confident82 Ų8256.8 Ų56.832%0.32228%0.278SS..Hα-helixtrans-70.1-36.2178.9-82.1-80.2000112.8T9 I13 F159 F161 Y166 V167T9-Y163 HydrophobicContact CG2-CD1 4.17Å; T9-Y163 HydrophobicContact CG2-CE1 3.63Å; T9-Y163 HydrophobicContact CG2-CE2 4.13Å; I13-Y163 HydrophobicContact CD1-CD2 3.26Å; I13-Y163 HydrophobicContact CD1-CE2 3.7Å; I13-Y163 HydrophobicContact CD1-CG 3.83Å; F159-Y163 WeakPolarHBondContact O-CD2 3.44Å; F159-Y163 PolarHBondContact O-N 3.3Å; F161-Y163 PolarHBondContact O-N 3.37Å; Y163-Y166 PolarHBondContact O-N 3.1Å; Y163-V167 WeakPolarHBondContact O-CB 3.32Å; Y163-V167 VanDerWaalsContact O-CG2 3.31Å; Y163-V167 WeakPolarHBondContact O-CG2 3.38Å; Y163-V167 PolarHBondContact O-N 2.81Å
164A88.9Confident88.5Confident0 Ų059.6 Ų59.60%029%0.293CS..Hα-helixtrans-63.7-43.3174.900000111.2L10 Y65 A66 G160 F161 S168L10-A164 HydrophobicContact CD1-CB 4.37Å; Y65-A164 HydrophobicContact CD1-CB 3.94Å; Y65-A164 HydrophobicContact CE1-CB 4.06Å; A66-A164 HydrophobicContact CB-CB 4.44Å; G160-A164 WeakPolarHBondContact O-CB 3.48Å; G160-A164 PolarHBondContact O-N 2.99Å; F161-A164 PolarHBondContact O-N 3.32Å; A164-S168 WeakPolarHBondContact O-CB 3.07Å; A164-S168 PolarHBondContact O-N 3.18Å; A164-S168 PolarHBondContact O-OG 3.31Å
165C89.9Confident87.5Confident47 Ų4763.4 Ų63.432%0.31831%0.311SS..Hα-helixtrans-64.8-44.2174.6-71.50000111.9F161 V162 S168 K169F161-C165 WeakPolarHBondContact O-CB 3.43Å; F161-C165 PolarHBondContact O-N 3.06Å; F161-C165 PolarHBondContact O-SG 3.27Å; F161-C165 VanDerWaalsContact O-SG 3.37Å; V162-C165 PolarHBondContact O-N 3.06Å; C165-S168 PolarHBondContact O-N 3.01Å; C165-K169 WeakPolarHBondContact O-CB 3.43Å; C165-K169 VanDerWaalsContact O-CG 3.3Å; C165-K169 WeakPolarHBondContact O-CG 3.16Å; C165-K169 PolarHBondContact O-N 3.37Å
166Y89.4Confident86.5Confident135 Ų13563.1 Ų63.153%0.52931%0.31SS..Hα-helixtrans-58.4-52.2176.4172.9-98.9000111.7V162 Y163 S168 K169 V170V162-Y166 WeakPolarHBondContact O-CB 3.47Å; V162-Y166 PolarHBondContact O-N 3.37Å; Y163-Y166 PolarHBondContact O-N 3.1Å; Y166-S168 VanDerWaalsContact C-N 3.35Å; Y166-S168 PolarHBondContact O-N 3.43Å; Y166-K169 PolarHBondContact O-N 3.48Å; Y166-V170 HydrophobicContact CE1-CG2 4.23Å; Y166-V170 HydrophobicContact CE2-CG2 4.35Å; Y166-V170 WeakPolarHBondContact O-CG2 3.03Å; Y166-V170 PolarHBondContact O-N 3Å
167V87.3Confident85.4Confident4 Ų464.4 Ų64.42%0.02432%0.322CS..Hα-helixtrans-65.8-37.7179.9173.60000111.4R7 L10 L62 Y163 K169 V170 F171R7-V167 HydrophobicContact CG-CG1 4.44Å; L10-V167 HydrophobicContact CB-CG2 4.4Å; L10-V167 HydrophobicContact CD2-CB 4.07Å; L10-V167 HydrophobicContact CD2-CG1 4.22Å; L10-V167 HydrophobicContact CD2-CG2 4.03Å; L62-V167 HydrophobicContact CD1-CG1 3.9Å; Y163-V167 WeakPolarHBondContact O-CB 3.32Å; Y163-V167 VanDerWaalsContact O-CG2 3.31Å; Y163-V167 WeakPolarHBondContact O-CG2 3.38Å; Y163-V167 PolarHBondContact O-N 2.81Å; V167-K169 VanDerWaalsContact C-N 3.33Å; V167-K169 PolarHBondContact O-N 3.04Å; V167-V170 PolarHBondContact O-N 3.25Å; V167-F171 HydrophobicContact CG1-CD2 3.81Å; V167-F171 HydrophobicContact CG1-CE1 4.31Å; V167-F171 HydrophobicContact CG1-CE2 3.32Å; V167-F171 HydrophobicContact CG1-CG 4.49Å; V167-F171 HydrophobicContact CG1-CZ 3.61Å; V167-F171 WeakPolarHBondContact O-CD2 3.41Å; V167-F171 WeakPolarHBondContact O-CG 3.13Å; V167-F171 PolarHBondContact O-N 3.41Å
168S86.8Confident83.8Confident13 Ų1371 Ų719%0.09135%0.35CS..Hα-helixtrans-62.8-39.8175.7-60.10000112.3L62 A164 C165 Y166 F171 Q172L62-S168 WeakPolarHBondContact CB-OG 3.43Å; A164-S168 WeakPolarHBondContact O-CB 3.07Å; A164-S168 PolarHBondContact O-N 3.18Å; A164-S168 PolarHBondContact O-OG 3.31Å; C165-S168 PolarHBondContact O-N 3.01Å; Y166-S168 VanDerWaalsContact C-N 3.35Å; Y166-S168 PolarHBondContact O-N 3.43Å; S168-F171 PolarHBondContact O-N 3.34Å; S168-Q172 WeakPolarHBondContact O-CB 3.35Å; S168-Q172 PolarHBondContact O-N 2.67Å
169K86.9Confident82.3Confident128 Ų12872.8 Ų72.856%0.55736%0.361SS*.Hα-helixtrans-64.9-46.8176.2-76.6-70.4-169.3149.10111.7C165 Y166 V167 F171 Q172 D173C165-K169 WeakPolarHBondContact O-CB 3.43Å; C165-K169 VanDerWaalsContact O-CG 3.3Å; C165-K169 WeakPolarHBondContact O-CG 3.16Å; C165-K169 PolarHBondContact O-N 3.37Å; Y166-K169 PolarHBondContact O-N 3.48Å; V167-K169 VanDerWaalsContact C-N 3.33Å; V167-K169 PolarHBondContact O-N 3.04Å; K169-F171 VanDerWaalsContact C-N 3.29Å; K169-F171 PolarHBondContact O-N 3.27Å; K169-Q172 PolarHBondContact O-N 3.23Å; K169-Q172 VanDerWaalsContact O-N 3.12Å; K169-D173 VanDerWaalsContact O-CG 3.27Å; K169-D173 PolarHBondContact O-N 2.88Å
170V86.4Confident80.8Confident47 Ų4774 Ų7429%0.28537%0.366SS..Hα-helixtrans-56.6-44.5175.31720000111Y166 V167 D173 D174Y166-V170 HydrophobicContact CE1-CG2 4.23Å; Y166-V170 HydrophobicContact CE2-CG2 4.35Å; Y166-V170 WeakPolarHBondContact O-CG2 3.03Å; Y166-V170 PolarHBondContact O-N 3Å; V167-V170 PolarHBondContact O-N 3.25Å; V170-D173 PolarHBondContact O-N 3.07Å; V170-D174 VanDerWaalsContact O-CG 3.31Å; V170-D174 PolarHBondContact O-N 3.26Å
171F83.5Confident79.4Confident9 Ų978.8 Ų78.84%0.03939%0.39CS..Hα-helixtrans-68.3-33.8177.3-67.5-27000114.1R7 F57 F59 L62 V167 S168 K169 E175R7-F171 HydrophobicContact CG-CZ 4.32Å; R7-F171 VanDerWaalsContact NE-CE1 3.32Å; F57-F171 HydrophobicContact CD1-CD1 4.16Å; F57-F171 AromaticContact CD1-CE1 3.44Å; F57-F171 HydrophobicContact CD1-CE1 3.44Å; F57-F171 VanDerWaalsContact CD1-CE1 3.44Å; F57-F171 HydrophobicContact CD1-CE2 4.49Å; F57-F171 AromaticContact CD1-CZ 3.65Å; F57-F171 HydrophobicContact CD1-CZ 3.65Å; F57-F171 AromaticContact CE1-CE1 3.7Å; F57-F171 HydrophobicContact CE1-CE1 3.7Å; F57-F171 AromaticContact CE1-CZ 3.91Å; F57-F171 HydrophobicContact CE1-CZ 3.91Å; F59-F171 HydrophobicContact CB-CB 4.27Å; L62-F171 HydrophobicContact CD1-CD2 3.61Å; L62-F171 HydrophobicContact CD1-CE2 3.6Å; V167-F171 HydrophobicContact CG1-CD2 3.81Å; V167-F171 HydrophobicContact CG1-CE1 4.31Å; V167-F171 HydrophobicContact CG1-CE2 3.32Å; V167-F171 HydrophobicContact CG1-CG 4.49Å; V167-F171 HydrophobicContact CG1-CZ 3.61Å; V167-F171 WeakPolarHBondContact O-CD2 3.41Å; V167-F171 WeakPolarHBondContact O-CG 3.13Å; V167-F171 PolarHBondContact O-N 3.41Å; S168-F171 PolarHBondContact O-N 3.34Å; K169-F171 VanDerWaalsContact C-N 3.29Å; K169-F171 PolarHBondContact O-N 3.27Å; F171-E175 WeakPolarHBondContact O-CG 3.38Å; F171-E175 PolarHBondContact O-N 2.93Å
172Q82.4Confident77.6Confident82 Ų8277.3 Ų77.338%0.38340%0.396SS..Hα-helixtrans-67.8-44.3175.7-175.3178.6-14.600111S168 K169 D174 E175 D176S168-Q172 WeakPolarHBondContact O-CB 3.35Å; S168-Q172 PolarHBondContact O-N 2.67Å; K169-Q172 PolarHBondContact O-N 3.23Å; K169-Q172 VanDerWaalsContact O-N 3.12Å; Q172-D174 VanDerWaalsContact C-N 3.31Å; Q172-D174 PolarHBondContact O-N 3.48Å; Q172-E175 PolarHBondContact O-N 3.12Å; Q172-D176 WeakPolarHBondContact O-CB 3.34Å; Q172-D176 PolarHBondContact O-N 2.65Å
173D81.1Confident75.7Confident99 Ų9974.7 Ų74.753%0.52939%0.388SS..Hα-helixtrans-64.2-36.7178.3-64.6-22000111.6K169 V170 S177K169-D173 VanDerWaalsContact O-CG 3.27Å; K169-D173 PolarHBondContact O-N 2.88Å; V170-D173 PolarHBondContact O-N 3.07Å; D173-S177 WeakPolarHBondContact O-CB 3.29Å; D173-S177 PolarHBondContact O-N 3.32Å
174D78.8Confident73.8Confident68 Ų6878.2 Ų78.236%0.36441%0.405SS..Hα-helixtrans-63.1-49.5174.8-75.1-24.3000111.3V170 Q172 S177 F178V170-D174 VanDerWaalsContact O-CG 3.31Å; V170-D174 PolarHBondContact O-N 3.26Å; Q172-D174 VanDerWaalsContact C-N 3.31Å; Q172-D174 PolarHBondContact O-N 3.48Å; D174-S177 PolarHBondContact O-N 3.09Å; D174-F178 HydrophobicContact CB-CE2 4.32Å; D174-F178 WeakPolarHBondContact O-CD2 3.41Å; D174-F178 PolarHBondContact O-N 3Å
175E72.4Confident72Confident106 Ų10684.4 Ų84.450%0.49544%0.438SS..Hα-helixtrans-63.7-44.8178.9-68.7-87.1128.900112.1F171 Q172 S177 F178 D179F171-E175 WeakPolarHBondContact O-CG 3.38Å; F171-E175 PolarHBondContact O-N 2.93Å; Q172-E175 PolarHBondContact O-N 3.12Å; E175-S177 PolarHBondContact O-N 2.03Å; E175-F178 PolarHBondContact O-N 3.45Å; E175-F178 VanDerWaalsContact O-N 3.13Å; E175-D179 PolarHBondContact O-N 3.13Å
176D69.8Low70.2Confident92 Ų9286.8 Ų86.849%0.49246%0.455SS..Hα-helixtrans-62.6-32.7177.4-72.2-24.2000111.3Q172 F180Q172-D176 WeakPolarHBondContact O-CB 3.34Å; Q172-D176 PolarHBondContact O-N 2.65Å; D176-F180 PolarHBondContact O-N 3.12Å
177S68.6Low68.3Low64 Ų6491 Ų9145%0.44847%0.472SS..Hα-helixtrans-72.1-35.5174.1-175.70000113.1D173 D174 E175 F180 I181D173-S177 WeakPolarHBondContact O-CB 3.29Å; D173-S177 PolarHBondContact O-N 3.32Å; D174-S177 PolarHBondContact O-N 3.09Å; E175-S177 PolarHBondContact O-N 2.03Å; S177-F180 PolarHBondContact O-N 3.34Å; S177-I181 PolarHBondContact O-N 3.25Å
178F59.5Low66.6Low139 Ų13993.8 Ų93.861%0.6150%0.502SS*.Hα-helixtrans-71-36.2177.2-74-63.4000111.9D174 E175 F180 I181 G182D174-F178 HydrophobicContact CB-CE2 4.32Å; D174-F178 WeakPolarHBondContact O-CD2 3.41Å; D174-F178 PolarHBondContact O-N 3Å; E175-F178 PolarHBondContact O-N 3.45Å; E175-F178 VanDerWaalsContact O-N 3.13Å; F178-F180 VanDerWaalsContact C-N 3.3Å; F178-F180 PolarHBondContact O-N 3.25Å; F178-I181 PolarHBondContact O-N 3.47Å; F178-G182 PolarHBondContact O-N 3.1Å
179D61.4Low64.5Low126 Ų126103 Ų10367%0.67454%0.536SS*.Hα-helixtrans-63.3-35.6173.9-86.1-6.1000112E175 G183E175-D179 PolarHBondContact O-N 3.13Å; D179-G183 PolarHBondContact O-N 3.17Å
180F59.4Low62.7Low147 Ų147104.8 Ų104.865%0.64555%0.546SS*.Hα-helixtrans-67.5-38.9175.6-175.1-98.9000113.2D176 S177 F178 F184D176-F180 PolarHBondContact O-N 3.12Å; S177-F180 PolarHBondContact O-N 3.34Å; F178-F180 VanDerWaalsContact C-N 3.3Å; F178-F180 PolarHBondContact O-N 3.25Å; F180-F184 HydrophobicContact CZ-CE2 4.25Å
181I61.3Low60.8Low101 Ų101106.9 Ų106.952%0.51856%0.56SS.*Hα-helixtrans-76.8-39.3179.3-67.7169.5000111S177 F178 G183 F184S177-I181 PolarHBondContact O-N 3.25Å; F178-I181 PolarHBondContact O-N 3.47Å; I181-G183 VanDerWaalsContact C-N 3.32Å; I181-G183 PolarHBondContact O-N 3.35Å; I181-F184 PolarHBondContact O-N 2.7Å
182G54.7Low58.8Low44 Ų44111.7 Ų111.745%0.45459%0.593SS.*Hα-helixtrans-69.6-26.1175.700000113.9F178 F184F178-G182 PolarHBondContact O-N 3.1Å; G182-F184 VanDerWaalsContact C-N 3.3Å; G182-F184 PolarHBondContact O-N 3.21Å
183G51.9Low57Low36 Ų36116.4 Ų116.437%0.37162%0.615SS.*Hα-helixtrans-69.3-23.617300000114.2D179 I181D179-G183 PolarHBondContact O-N 3.17Å; I181-G183 VanDerWaalsContact C-N 3.32Å; I181-G183 PolarHBondContact O-N 3.35Å
184F49.7Very low55.1Low155 Ų155121 Ų12168%0.6863%0.63SS**Hα-helixtrans-77-28.1178.2-112-87.2000113.2F180 I181 G182F180-F184 HydrophobicContact CZ-CE2 4.25Å; I181-F184 PolarHBondContact O-N 2.7Å; G182-F184 VanDerWaalsContact C-N 3.3Å; G182-F184 PolarHBondContact O-N 3.21Å
185D51.2Low53.3Low131 Ų131122.6 Ų122.670%0.70165%0.647SS**Hα-helixtrans-82.7-15.4177.9-74.9-32.2000113.5
186S50.8Low52.2Low96 Ų96123 Ų12367%0.67166%0.661SS**THydrogen-bonded Turntrans-87.9-6.4-177.4-159.60000114.9
187Y51.4Low51.2Low224 Ų224126.4 Ų126.488%0.87867%0.674SS**THydrogen-bonded Turntrans-1128.2179.3-80-77.4000114.8
188G50Low50.2Low63 Ų63130.3 Ų130.365%0.64969%0.689SS**THydrogen-bonded Turntrans-128-14-171.500000118Q190G188-Q190 PolarHBondContact O-N 3.12Å
189Y44.1Very low49.9Very low205 Ų205131.9 Ų131.980%0.80470%0.698SS**  trans-95.877.5-177.7-127.8-89.7000111.7P191Y189-P191 VanDerWaalsContact O-CD 3.22Å; Y189-P191 WeakPolarHBondContact O-CD 3.26Å
190Q48.5Very low49.6Very low167 Ų167133.1 Ų133.178%0.7870%0.704SS**  trans-65.3113.4152-120.1166.4-55.900106.1G188G188-Q190 PolarHBondContact O-N 3.12Å
191P45.8Very low49.2Very low90 Ų90134.8 Ų134.858%0.58471%0.714SS**  trans-55.5136.4166.625-31.7000106.4Y189 Q193Y189-P191 VanDerWaalsContact O-CD 3.22Å; Y189-P191 WeakPolarHBondContact O-CD 3.26Å; P191-Q193 PolarHBondContact O-N 3.24Å
192P42.5Very low48.9Very low111 Ų111134.6 Ų134.672%0.72172%0.719SS**  trans-55.4114177.421.9-30.2000106.6K194P192-K194 PolarHBondContact O-N 3.26Å
193Q44.5Very low48.7Very low180 Ų180140.2 Ų140.284%0.84174%0.738SS**  trans-59.798165.4-81.8-167.2-28.200104.6P191 S195P191-Q193 PolarHBondContact O-N 3.24Å; Q193-S195 PolarHBondContact O-N 2.95Å
194K39.9Very low48.8Very low195 Ų195148.6 Ų148.685%0.84876%0.76SS**  trans-56.999.7160.8-83-175.3176.1177.80104.7P192 S196P192-K194 PolarHBondContact O-N 3.26Å; K194-S196 VanDerWaalsContact C-N 3.29Å; K194-S196 PolarHBondContact O-N 2.96Å
195S42.8Very low48.8Very low102 Ų102147.5 Ų147.571%0.71377%0.766SS**  trans-54.9101.3163.850.40000106.1Q193 H197Q193-S195 PolarHBondContact O-N 2.95Å; S195-H197 PolarHBondContact O-N 3.17Å
196S48.6Very low48.6Very low114 Ų114146.4 Ų146.480%0.79778%0.775SS**  trans-68.768.3168.346.40000108.7K194 L198K194-S196 VanDerWaalsContact C-N 3.29Å; K194-S196 PolarHBondContact O-N 2.96Å; S196-L198 PolarHBondContact O-N 3.49Å
197H48Very low48.2Very low164 Ų164149.2 Ų149.276%0.75982%0.819SS**  trans-92.367.8156.3-102.6-93.5000107.3S195 Q199S195-H197 PolarHBondContact O-N 3.17Å; H197-Q199 PolarHBondContact O-N 3.43Å; H197-Q199 VanDerWaalsContact O-N 3.08Å
198L49.1Very low48.1Very low146 Ų146145.5 Ų145.576%0.76482%0.816SS**  trans-80.481.8163.6-137.9143.4000105.6S196 L200S196-L198 PolarHBondContact O-N 3.49Å; L198-L200 VanDerWaalsContact C-N 3.34Å; L198-L200 HydrophobicContact CD2-CD2 4.35Å; L198-L200 HydrophobicContact CD2-CG 4.28Å; L198-L200 PolarHBondContact O-N 2.94Å
199Q51.8Low48Very low173 Ų173149.8 Ų149.881%0.80883%0.825SS**  trans-71.693.8175.8-160.1171.8-17.500107.2H197 Q201H197-Q199 PolarHBondContact O-N 3.43Å; H197-Q199 VanDerWaalsContact O-N 3.08Å; Q199-Q201 PolarHBondContact O-N 3.09Å
200L55.3Low48.2Very low151 Ų151146.7 Ų146.779%0.79183%0.826SS**  trans-67.5112.2172.5-78.5159.3000108.5L198L198-L200 VanDerWaalsContact C-N 3.34Å; L198-L200 HydrophobicContact CD2-CD2 4.35Å; L198-L200 HydrophobicContact CD2-CG 4.28Å; L198-L200 PolarHBondContact O-N 2.94Å
201Q52.2Low48.2Very low182 Ų182145.5 Ų145.585%0.8583%0.829SS**  trans-90.9122.7171.4-153.61656.100107.9Q199 L203Q199-Q201 PolarHBondContact O-N 3.09Å; Q201-L203 PolarHBondContact O-N 3.49Å
202P54.2Low48.3Very low98 Ų98149 Ų14964%0.63684%0.844SS**  trans-70124.1178.425.8-30.4000110Y204P202-Y204 HydrophobicContact CG-CE2 4.41Å; P202-Y204 PolarHBondContact O-N 3.3Å
203L50.9Low48.7Very low162 Ų162151.5 Ų151.585%0.84885%0.852SS**  trans-80.1107.8169-152.793.7000107.6Q201 T205Q201-L203 PolarHBondContact O-N 3.49Å; L203-T205 PolarHBondContact O-N 2.76Å
204Y54.5Low49Very low211 Ų211149.5 Ų149.583%0.82785%0.853SS**  trans-72.8118.3168.4-73.3-88.3000108.7P202 A206P202-Y204 HydrophobicContact CG-CE2 4.41Å; P202-Y204 PolarHBondContact O-N 3.3Å; Y204-A206 PolarHBondContact O-N 2.91Å
205T49.3Very low49.7Very low133 Ų133146 Ų14682%0.81685%0.853SS**  trans-77.7114.8165.150.30000108.4L203L203-T205 PolarHBondContact O-N 2.76Å
206A46.6Very low50.3Low108 Ų108149.7 Ų149.789%0.89387%0.865SS**  trans-96.7123.6163.400000108.1Y204Y204-A206 PolarHBondContact O-N 2.91Å
207G43.1Very low50.4Low154 Ų154152.9 Ų152.9100%1.58887%0.871SS**  trans131.20175.800000112.6

Retrieved 207 of 207 residues in 86.6 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).