A0A077ZGM4_TRITR Loading...

Hypothetical membrane spanning protein

AlphaFold DB , UniProt , Accession A0A077ZGM4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 296 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
1M35.4Very low63.4Low241 Ų241111.9 Ų111.9100%1.18756%0.562SS**  078.30-172.6173.7154.600108.6
2E31.5Very low66Low180 Ų180108.4 Ų108.484%0.84155%0.545SS*.  trans-119103.9163.1-75.1-175.9162.500105.4T4E2-T4 PolarHBondContact O-N 3.27Å
3T45.7Very low68.3Low52 Ų52108.4 Ų108.432%0.31955%0.547SS..  trans-55.9116.415927.40000106M5 R8T3-M5 PolarHBondContact O-N 2.81Å; T3-R8 PolarHBondContact OG1-NE 3.39Å; T3-R8 PolarHBondContact OG1-NH2 3.04Å
4T54.1Low70.1Confident79 Ų79104.9 Ų104.949%0.48553%0.526SS..  trans-44133.2176.826.90000109E2 T6 T7 R8E2-T4 PolarHBondContact O-N 3.27Å; T4-T6 PolarHBondContact O-N 2.87Å; T4-T7 WeakPolarHBondContact O-CA 3.17Å; T4-T7 WeakPolarHBondContact O-CB 3.45Å; T4-T7 PolarHBondContact O-N 3.39Å; T4-T7 PolarHBondContact OG1-OG1 3.17Å; T4-R8 PolarHBondContact O-N 3.22Å
5M57.2Low71.8Confident147 Ų14797.9 Ų97.972%0.72449%0.491SS*.Hα-helixtrans-45-38.5-177.9-74.2-69.6-140.400112.2T3 T7 R8 I9T3-M5 PolarHBondContact O-N 2.81Å; M5-T7 VanDerWaalsContact C-N 3.33Å; M5-T7 PolarHBondContact O-N 2.64Å; M5-R8 PolarHBondContact O-N 3.5Å; M5-I9 WeakPolarHBondContact O-CG1 3.42Å; M5-I9 PolarHBondContact O-N 3.01Å
6T58Low73.5Confident109 Ų10994.5 Ų94.567%0.66948%0.477SS*.Hα-helixtrans-56-40.1174.9-41.50000114T4 K10T4-T6 PolarHBondContact O-N 2.87Å; T6-K10 WeakPolarHBondContact O-CB 3.31Å; T6-K10 PolarHBondContact O-N 3.12Å
7T72.3Confident74.9Confident54 Ų5492.7 Ų92.733%0.33147%0.472SS..Hα-helixtrans-68.2-42.3178.5-49.20000110.6T4 M5 K10 E11T4-T7 WeakPolarHBondContact O-CA 3.17Å; T4-T7 WeakPolarHBondContact O-CB 3.45Å; T4-T7 PolarHBondContact O-N 3.39Å; T4-T7 PolarHBondContact OG1-OG1 3.17Å; M5-T7 VanDerWaalsContact C-N 3.33Å; M5-T7 PolarHBondContact O-N 2.64Å; T7-K10 PolarHBondContact O-N 2.83Å; T7-E11 WeakPolarHBondContact O-CG 3.31Å; T7-E11 PolarHBondContact O-N 3.11Å
8R79.3Confident76.2Confident115 Ų11587.6 Ų87.643%0.43445%0.446SS..Hα-helixtrans-65.3-42.7177.1-65.1-171.3-173.9-173.70.4112.1T3 T4 M5 K10 E11 I12T3-R8 PolarHBondContact OG1-NE 3.39Å; T3-R8 PolarHBondContact OG1-NH2 3.04Å; T4-R8 PolarHBondContact O-N 3.22Å; M5-R8 PolarHBondContact O-N 3.5Å; R8-K10 VanDerWaalsContact C-N 3.32Å; R8-K10 PolarHBondContact O-N 3.37Å; R8-E11 PolarHBondContact O-N 3.33Å; R8-I12 WeakPolarHBondContact O-CB 3.28Å; R8-I12 VanDerWaalsContact O-CG1 3.3Å; R8-I12 WeakPolarHBondContact O-CG1 3.35Å; R8-I12 PolarHBondContact O-N 3.3Å
9I88.7Confident77.3Confident111 Ų11182.9 Ų82.957%0.56942%0.422SS*.Hα-helixtrans-60.6-44.4176.3-67.4166.7000110.4M5 E11 I12 L13M5-I9 WeakPolarHBondContact O-CG1 3.42Å; M5-I9 PolarHBondContact O-N 3.01Å; I9-E11 PolarHBondContact O-N 3.38Å; I9-I12 PolarHBondContact O-N 3.33Å; I9-L13 WeakPolarHBondContact O-CB 3.47Å; I9-L13 PolarHBondContact O-N 3.33Å
10K87.4Confident78.3Confident126 Ų12679.7 Ų79.755%0.54841%0.409SS..Hα-helixtrans-62.2-42.5177.4-177.9172.71771750112.1T6 T7 R8 L13 F14T6-K10 WeakPolarHBondContact O-CB 3.31Å; T6-K10 PolarHBondContact O-N 3.12Å; T7-K10 PolarHBondContact O-N 2.83Å; R8-K10 VanDerWaalsContact C-N 3.32Å; R8-K10 PolarHBondContact O-N 3.37Å; K10-L13 PolarHBondContact O-N 3.47Å; K10-F14 HydrophobicContact CD-CE2 4.14Å; K10-F14 VanDerWaalsContact CE-CE2 3.46Å; K10-F14 HydrophobicContact CG-CD2 3.86Å; K10-F14 HydrophobicContact CG-CE2 3.55Å; K10-F14 WeakPolarHBondContact O-CD2 3.12Å; K10-F14 PolarHBondContact O-N 2.99Å
11E87.6Confident79.3Confident17 Ų1778.4 Ų78.48%0.07940%0.402CS..Hα-helixtrans-62.2-48.3176.4-71.4163.2173.100111.7T7 R8 I9 L13 F14 I15 R77 Y81 N130T7-E11 WeakPolarHBondContact O-CG 3.31Å; T7-E11 PolarHBondContact O-N 3.11Å; R8-E11 PolarHBondContact O-N 3.33Å; I9-E11 PolarHBondContact O-N 3.38Å; E11-L13 VanDerWaalsContact C-N 3.35Å; E11-L13 PolarHBondContact O-N 3.12Å; E11-F14 PolarHBondContact O-N 2.88Å; E11-I15 WeakPolarHBondContact O-CG1 3.31Å; E11-I15 PolarHBondContact O-N 3.45Å; E11-R77 VanDerWaalsContact CD-CZ 3.46Å; E11-R77 IonicContact OE1-CZ 2.66Å; E11-R77 IonicContact OE1-NH1 3.48Å; E11-R77 PolarHBondContact OE1-NH1 2.95Å; E11-R77 IonicContact OE1-NH2 3.19Å; E11-R77 PolarHBondContact OE1-NH2 3.42Å; E11-R77 IonicContact OE2-CZ 3.05Å; E11-R77 IonicContact OE2-NE 3.68Å; E11-R77 IonicContact OE2-NH1 3.19Å; E11-R77 IonicContact OE2-NH2 3.65Å; E11-R77 PolarHBondContact OE2-NH2 2.96Å; E11-Y81 HydrophobicContact CB-CE2 3.92Å; E11-Y81 HydrophobicContact CG-CE2 4.48Å; E11-Y81 WeakPolarHBondContact OE2-CE2 3.33Å; E11-Y81 PolarHBondContact OE2-OH 2.93Å; E11-N130 HydrophobicContact CB-CB 4.15Å; E11-N130 HydrophobicContact CG-CB 4.26Å
12I94.4Very high82.2Confident70 Ų7068.4 Ų68.436%0.35935%0.351SS..Hα-helixtrans-58.4-47.2176.2-71.2167.9000110.4R8 I9 F14 I15 V16 Y81 L84R8-I12 WeakPolarHBondContact O-CB 3.28Å; R8-I12 VanDerWaalsContact O-CG1 3.3Å; R8-I12 WeakPolarHBondContact O-CG1 3.35Å; R8-I12 PolarHBondContact O-N 3.3Å; I9-I12 PolarHBondContact O-N 3.33Å; I12-F14 VanDerWaalsContact C-N 3.33Å; I12-F14 PolarHBondContact O-N 3.39Å; I12-I15 PolarHBondContact O-N 2.93Å; I12-I15 VanDerWaalsContact O-N 3.13Å; I12-V16 HydrophobicContact CG2-CG2 4.42Å; I12-V16 WeakPolarHBondContact O-CG2 3.35Å; I12-V16 PolarHBondContact O-N 3.02Å; I12-Y81 HydrophobicContact CG1-CE1 4.29Å; I12-L84 HydrophobicContact CB-CD2 4.4Å; I12-L84 HydrophobicContact CG1-CD2 4.15Å; I12-L84 HydrophobicContact CG2-CD2 4.01Å
13L95.8Very high85.2Confident108 Ų10859.8 Ų59.857%0.56531%0.311SS*.Hα-helixtrans-59.2-43.4178.5-177.965.1000111.7I9 K10 E11 I15 V16 V17I9-L13 WeakPolarHBondContact O-CB 3.47Å; I9-L13 PolarHBondContact O-N 3.33Å; K10-L13 PolarHBondContact O-N 3.47Å; E11-L13 VanDerWaalsContact C-N 3.35Å; E11-L13 PolarHBondContact O-N 3.12Å; L13-I15 VanDerWaalsContact C-N 3.35Å; L13-I15 PolarHBondContact O-N 2.96Å; L13-V16 PolarHBondContact O-N 3.16Å; L13-V17 HydrophobicContact CD1-CG2 4.25Å; L13-V17 HydrophobicContact CG-CG2 4.44Å; L13-V17 WeakPolarHBondContact O-CB 3Å; L13-V17 VanDerWaalsContact O-CG2 3.3Å; L13-V17 WeakPolarHBondContact O-CG2 3.48Å; L13-V17 PolarHBondContact O-N 3.5Å
14F94.4Very high87.6Confident59 Ų5959.4 Ų59.426%0.25931%0.305SS..Hα-helixtrans-67.2-33.6176.3-80.1-59.1000113.4K10 E11 I12 G18 L126 N130K10-F14 HydrophobicContact CD-CE2 4.14Å; K10-F14 VanDerWaalsContact CE-CE2 3.46Å; K10-F14 HydrophobicContact CG-CD2 3.86Å; K10-F14 HydrophobicContact CG-CE2 3.55Å; K10-F14 WeakPolarHBondContact O-CD2 3.12Å; K10-F14 PolarHBondContact O-N 2.99Å; E11-F14 PolarHBondContact O-N 2.88Å; I12-F14 VanDerWaalsContact C-N 3.33Å; I12-F14 PolarHBondContact O-N 3.39Å; F14-G18 WeakPolarHBondContact O-CA 3.48Å; F14-G18 PolarHBondContact O-N 3.08Å; F14-L126 HydrophobicContact CD1-CD2 4.01Å; F14-L126 HydrophobicContact CE1-CD2 4.36Å; F14-N130 WeakPolarHBondContact CB-ND2 3.41Å
15I95.7Very high89.5Confident0 Ų055.6 Ų55.60%028%0.282CS..Hα-helixtrans-65.4-45.6174.1-68.6164.8000109.9E11 I12 L13 G18 T19 Y81 L84 V127 N130E11-I15 WeakPolarHBondContact O-CG1 3.31Å; E11-I15 PolarHBondContact O-N 3.45Å; I12-I15 PolarHBondContact O-N 2.93Å; I12-I15 VanDerWaalsContact O-N 3.13Å; L13-I15 VanDerWaalsContact C-N 3.35Å; L13-I15 PolarHBondContact O-N 2.96Å; I15-G18 PolarHBondContact O-N 2.8Å; I15-T19 WeakPolarHBondContact O-CB 3.36Å; I15-T19 WeakPolarHBondContact O-CG2 3.23Å; I15-T19 PolarHBondContact O-N 3.28Å; I15-T19 PolarHBondContact O-OG1 2.89Å; I15-Y81 HydrophobicContact CD1-CD1 4.27Å; I15-Y81 HydrophobicContact CD1-CD2 3.61Å; I15-Y81 HydrophobicContact CD1-CE2 4.22Å; I15-Y81 HydrophobicContact CD1-CG 3.63Å; I15-L84 HydrophobicContact CB-CD2 4.39Å; I15-L84 HydrophobicContact CD1-CD2 4.44Å; I15-L84 HydrophobicContact CG2-CD2 4.05Å; I15-L84 HydrophobicContact CG2-CG 4.15Å; I15-V127 HydrophobicContact CG1-CG1 4.44Å; I15-V127 HydrophobicContact CG2-CG1 4.37Å; I15-N130 HydrophobicContact CG1-CB 4.2Å
16V98Very high91.2Very high44 Ų4449.2 Ų49.227%0.26725%0.251SS..Hα-helixtrans-62.8-48.8177.8174.90000111I12 L13 T19 A20 F92I12-V16 HydrophobicContact CG2-CG2 4.42Å; I12-V16 WeakPolarHBondContact O-CG2 3.35Å; I12-V16 PolarHBondContact O-N 3.02Å; L13-V16 PolarHBondContact O-N 3.16Å; V16-T19 PolarHBondContact O-OG1 3.47Å; V16-A20 PolarHBondContact O-N 3.46Å; V16-F92 HydrophobicContact CG1-CE2 3.9Å; V16-F92 HydrophobicContact CG1-CZ 3.8Å; V16-F92 VanDerWaalsContact O-CE2 3.23Å; V16-F92 WeakPolarHBondContact O-CE2 3.47Å
17V98Very high92.8Very high64 Ų6444.7 Ų44.739%0.38822%0.223SC..Hα-helixtrans-65.2-42.2178.2172.10000111.3L13 A20 I21L13-V17 HydrophobicContact CD1-CG2 4.25Å; L13-V17 HydrophobicContact CG-CG2 4.44Å; L13-V17 WeakPolarHBondContact O-CB 3Å; L13-V17 VanDerWaalsContact O-CG2 3.3Å; L13-V17 WeakPolarHBondContact O-CG2 3.48Å; L13-V17 PolarHBondContact O-N 3.5Å; V17-A20 WeakPolarHBondContact O-CB 3.41Å; V17-A20 PolarHBondContact O-N 2.79Å; V17-I21 HydrophobicContact CG1-CD1 3.84Å; V17-I21 HydrophobicContact CG1-CG1 4.47Å; V17-I21 VanDerWaalsContact O-CG1 3.32Å; V17-I21 WeakPolarHBondContact O-CG1 3.28Å; V17-I21 PolarHBondContact O-N 3.33Å
18G97.8Very high93.8Very high0 Ų042.6 Ų42.60%021%0.209CC..Hα-helixtrans-62.2-45.317900000112.5F14 I15 A20 I21 Y22 G123F14-G18 WeakPolarHBondContact O-CA 3.48Å; F14-G18 PolarHBondContact O-N 3.08Å; I15-G18 PolarHBondContact O-N 2.8Å; G18-A20 VanDerWaalsContact C-N 3.34Å; G18-A20 PolarHBondContact O-N 3.48Å; G18-I21 PolarHBondContact O-N 3.34Å; G18-Y22 PolarHBondContact O-N 3.08Å; G18-G123 CarbonylContact C-O 3.48Å; G18-G123 VanDerWaalsContact CA-O 3.26Å; G18-G123 WeakPolarHBondContact CA-O 3.36Å; G18-G123 CarbonylContact O-C 3.6Å; G18-G123 WeakPolarHBondContact O-CA 3.41Å
19T97.6Very high94.4Very high0 Ų037.2 Ų37.20%019%0.188CC..Hα-helixtrans-64.8-35.8175.349.60000112.6I15 V16 Y22 A23 G85 C88 L89 V127 T134I15-T19 WeakPolarHBondContact O-CB 3.36Å; I15-T19 WeakPolarHBondContact O-CG2 3.23Å; I15-T19 PolarHBondContact O-N 3.28Å; I15-T19 PolarHBondContact O-OG1 2.89Å; V16-T19 PolarHBondContact O-OG1 3.47Å; T19-Y22 PolarHBondContact O-N 3.48Å; T19-A23 WeakPolarHBondContact O-CB 3.43Å; T19-A23 PolarHBondContact O-N 2.82Å; T19-G85 WeakPolarHBondContact CG2-O 3.36Å; T19-C88 HydrophobicContact CG2-CB 4.18Å; T19-C88 VanDerWaalsContact OG1-CB 3.27Å; T19-C88 WeakPolarHBondContact OG1-CB 3.44Å; T19-L89 HydrophobicContact CG2-CB 4.29Å; T19-V127 HydrophobicContact CG2-CG2 3.85Å; T19-T134 HydrophobicContact CG2-CG2 4.26Å
20A97.9Very high94.5Very high18 Ų1832.2 Ų32.215%0.14916%0.163CC..Hα-helixtrans-62.7-44.2174.100000112.6V16 V17 G18 F24 F92 W96V16-A20 PolarHBondContact O-N 3.46Å; V17-A20 WeakPolarHBondContact O-CB 3.41Å; V17-A20 PolarHBondContact O-N 2.79Å; G18-A20 VanDerWaalsContact C-N 3.34Å; G18-A20 PolarHBondContact O-N 3.48Å; A20-F24 WeakPolarHBondContact O-CB 3.35Å; A20-F24 PolarHBondContact O-N 3.3Å; A20-F92 HydrophobicContact CB-CD1 3.82Å; A20-F92 HydrophobicContact CB-CD2 3.78Å; A20-F92 HydrophobicContact CB-CE1 3.75Å; A20-F92 HydrophobicContact CB-CE2 3.72Å; A20-F92 HydrophobicContact CB-CG 3.86Å; A20-F92 HydrophobicContact CB-CZ 3.71Å; A20-W96 PolarHBondContact O-NE1 3.08Å; A20-W96 VanDerWaalsContact O-NE1 3.09Å
21I97.8Very high94.5Very high53 Ų5330 Ų3027%0.27216%0.157SC..Hα-helixtrans-65.9-45178-66.2167.3000110.7V17 G18 F24 G25 F119 F122 L126V17-I21 HydrophobicContact CG1-CD1 3.84Å; V17-I21 HydrophobicContact CG1-CG1 4.47Å; V17-I21 VanDerWaalsContact O-CG1 3.32Å; V17-I21 WeakPolarHBondContact O-CG1 3.28Å; V17-I21 PolarHBondContact O-N 3.33Å; G18-I21 PolarHBondContact O-N 3.34Å; I21-F24 WeakPolarHBondContact O-CB 3.28Å; I21-F24 PolarHBondContact O-N 3.47Å; I21-G25 PolarHBondContact O-N 3.2Å; I21-F119 HydrophobicContact CG2-CD1 3.87Å; I21-F122 HydrophobicContact CG2-CB 4.49Å; I21-L126 HydrophobicContact CD1-CD1 4.16Å
22Y96.5Very high94.6Very high30 Ų3032.2 Ų32.212%0.11818%0.177CC..Hα-helixtrans-62-49.9177.2175.7-153000110.8G18 T19 F24 G25 L26 E37 L89 A120 S124 T134G18-Y22 PolarHBondContact O-N 3.08Å; T19-Y22 PolarHBondContact O-N 3.48Å; Y22-F24 PolarHBondContact O-N 2.96Å; Y22-G25 PolarHBondContact O-N 3.27Å; Y22-G25 VanDerWaalsContact O-N 3.15Å; Y22-L26 HydrophobicContact CD2-CB 4.49Å; Y22-L26 HydrophobicContact CE2-CB 4.29Å; Y22-L26 HydrophobicContact CE2-CD1 3.91Å; Y22-L26 HydrophobicContact CE2-CG 4.47Å; Y22-L26 WeakPolarHBondContact O-CB 3.43Å; Y22-L26 PolarHBondContact O-N 3.21Å; Y22-E37 PolarHBondContact OH-OE1 2.93Å; Y22-L89 HydrophobicContact CD1-CD1 3.79Å; Y22-L89 HydrophobicContact CD1-CD2 4.12Å; Y22-L89 HydrophobicContact CE1-CD1 4.17Å; Y22-L89 HydrophobicContact CE1-CD2 3.83Å; Y22-L89 HydrophobicContact CG-CD1 4.39Å; Y22-A120 HydrophobicContact CD2-CB 3.63Å; Y22-A120 HydrophobicContact CE2-CB 3.73Å; Y22-S124 WeakPolarHBondContact CD1-OG 3.4Å; Y22-T134 HydrophobicContact CD1-CG2 4.12Å; Y22-T134 HydrophobicContact CE1-CG2 4.36Å
23A95.3Very high94.3Very high0 Ų030.4 Ų30.40%017%0.168CC..Hα-helixtrans-57.4-38178.400000112.6T19 L26 V27 L89 F92 L93T19-A23 WeakPolarHBondContact O-CB 3.43Å; T19-A23 PolarHBondContact O-N 2.82Å; A23-L26 PolarHBondContact O-N 2.86Å; A23-V27 WeakPolarHBondContact O-CG2 3.45Å; A23-V27 PolarHBondContact O-N 3.19Å; A23-L89 HydrophobicContact CB-CD1 3.91Å; A23-F92 HydrophobicContact CB-CB 3.52Å; A23-L93 HydrophobicContact CB-CD2 3.96Å; A23-L93 HydrophobicContact CB-CG 4.17Å
24F96Very high93.8Very high43 Ų4331.1 Ų31.119%0.18917%0.169CC..Hα-helixtrans-60.7-50.6176.1178.4-85000111.5A20 I21 Y22 L26 V27 Y28 W96 I103 F119A20-F24 WeakPolarHBondContact O-CB 3.35Å; A20-F24 PolarHBondContact O-N 3.3Å; I21-F24 WeakPolarHBondContact O-CB 3.28Å; I21-F24 PolarHBondContact O-N 3.47Å; Y22-F24 PolarHBondContact O-N 2.96Å; F24-L26 VanDerWaalsContact C-N 3.31Å; F24-L26 PolarHBondContact O-N 3.03Å; F24-V27 PolarHBondContact O-N 2.65Å; F24-Y28 HydrophobicContact CD1-CD2 4.28Å; F24-Y28 AromaticContact CD2-CD2 3.47Å; F24-Y28 HydrophobicContact CD2-CD2 3.47Å; F24-Y28 VanDerWaalsContact CD2-CD2 3.47Å; F24-Y28 AromaticContact CD2-CE2 3.51Å; F24-Y28 HydrophobicContact CD2-CE2 3.51Å; F24-Y28 HydrophobicContact CE1-CD2 4.25Å; F24-Y28 AromaticContact CE2-CD2 3.42Å; F24-Y28 HydrophobicContact CE2-CD2 3.42Å; F24-Y28 VanDerWaalsContact CE2-CD2 3.42Å; F24-Y28 AromaticContact CE2-CE2 3.54Å; F24-Y28 HydrophobicContact CE2-CE2 3.54Å; F24-Y28 HydrophobicContact CE2-CG 4.5Å; F24-Y28 AromaticContact CG-CD2 3.91Å; F24-Y28 HydrophobicContact CG-CD2 3.91Å; F24-Y28 HydrophobicContact CG-CE2 4.32Å; F24-Y28 AromaticContact CZ-CD2 3.84Å; F24-Y28 HydrophobicContact CZ-CD2 3.84Å; F24-Y28 HydrophobicContact CZ-CE2 4.37Å; F24-Y28 WeakPolarHBondContact O-CD2 3.32Å; F24-Y28 PolarHBondContact O-N 3.1Å; F24-W96 HydrophobicContact CD2-CD2 4.39Å; F24-I103 HydrophobicContact CE1-CD1 4Å; F24-I103 HydrophobicContact CZ-CD1 3.92Å; F24-F119 AromaticContact CD1-CD1 3.75Å; F24-F119 HydrophobicContact CD1-CD1 3.75Å; F24-F119 AromaticContact CD1-CE1 3.52Å; F24-F119 HydrophobicContact CD1-CE1 3.52Å; F24-F119 HydrophobicContact CD1-CZ 4.13Å; F24-F119 HydrophobicContact CE1-CD1 4.37Å; F24-F119 AromaticContact CE1-CE1 3.78Å; F24-F119 HydrophobicContact CE1-CE1 3.78Å; F24-F119 AromaticContact CE1-CZ 3.93Å; F24-F119 HydrophobicContact CE1-CZ 3.93Å
25G93.8Very high93.3Very high0 Ų028.9 Ų28.90%016%0.159CC..Hα-helixtrans-63.2-38.2176.900000112.4I21 Y22 L29 N30I21-G25 PolarHBondContact O-N 3.2Å; Y22-G25 PolarHBondContact O-N 3.27Å; Y22-G25 VanDerWaalsContact O-N 3.15Å; G25-L29 WeakPolarHBondContact O-CA 3.33Å; G25-L29 WeakPolarHBondContact O-CB 3.48Å; G25-L29 PolarHBondContact O-N 3.4Å; G25-N30 PolarHBondContact O-N 3.11Å; G25-N30 VanDerWaalsContact O-N 3.14Å
26L92.7Very high92.3Very high13 Ų1329.8 Ų29.87%0.06817%0.167CC..Iπ-helixtrans-61.6-47.9177.5-161.8163.3000111.2Y22 A23 F24 N30 I31 E37 L93Y22-L26 HydrophobicContact CD2-CB 4.49Å; Y22-L26 HydrophobicContact CE2-CB 4.29Å; Y22-L26 HydrophobicContact CE2-CD1 3.91Å; Y22-L26 HydrophobicContact CE2-CG 4.47Å; Y22-L26 WeakPolarHBondContact O-CB 3.43Å; Y22-L26 PolarHBondContact O-N 3.21Å; A23-L26 PolarHBondContact O-N 2.86Å; F24-L26 VanDerWaalsContact C-N 3.31Å; F24-L26 PolarHBondContact O-N 3.03Å; L26-N30 WeakPolarHBondContact O-CB 2.91Å; L26-N30 PolarHBondContact O-N 3.35Å; L26-I31 HydrophobicContact CD2-CD1 3.33Å; L26-I31 HydrophobicContact CD2-CG1 3.76Å; L26-I31 WeakPolarHBondContact O-CG1 3.16Å; L26-I31 PolarHBondContact O-N 3.37Å; L26-E37 WeakPolarHBondContact CD1-OE1 3.27Å; L26-E37 WeakPolarHBondContact CG-OE1 3.25Å; L26-L93 HydrophobicContact CB-CD2 4.16Å; L26-L93 HydrophobicContact CD1-CD2 4.13Å; L26-L93 HydrophobicContact CD2-CD2 3.79Å; L26-L93 HydrophobicContact CG-CD2 4.26Å
27V91.8Very high91.3Very high13 Ų1329.8 Ų29.88%0.07916%0.164CC..Iπ-helixtrans-71.8-55.4-178.41740000112.1A23 F24 I31 A32 L93 W96 Q97A23-V27 WeakPolarHBondContact O-CG2 3.45Å; A23-V27 PolarHBondContact O-N 3.19Å; F24-V27 PolarHBondContact O-N 2.65Å; V27-I31 HydrophobicContact CG2-CD1 4.49Å; V27-A32 PolarHBondContact O-N 3.45Å; V27-L93 HydrophobicContact CG2-CD2 3.68Å; V27-W96 HydrophobicContact CB-CB 4.12Å; V27-W96 HydrophobicContact CG1-CB 4.26Å; V27-W96 HydrophobicContact CG2-CB 3.96Å; V27-Q97 HydrophobicContact CG1-CG 4.23Å; V27-Q97 HydrophobicContact CG2-CG 3.91Å
28Y93Very high90.2Very high11 Ų1127.1 Ų27.14%0.04315%0.15CC..Iπ-helixtrans-86.7-14.2-168.2-61.3-63.8000114.4F24 A32 W96 I99 L101 I103F24-Y28 HydrophobicContact CD1-CD2 4.28Å; F24-Y28 AromaticContact CD2-CD2 3.47Å; F24-Y28 HydrophobicContact CD2-CD2 3.47Å; F24-Y28 VanDerWaalsContact CD2-CD2 3.47Å; F24-Y28 AromaticContact CD2-CE2 3.51Å; F24-Y28 HydrophobicContact CD2-CE2 3.51Å; F24-Y28 HydrophobicContact CE1-CD2 4.25Å; F24-Y28 AromaticContact CE2-CD2 3.42Å; F24-Y28 HydrophobicContact CE2-CD2 3.42Å; F24-Y28 VanDerWaalsContact CE2-CD2 3.42Å; F24-Y28 AromaticContact CE2-CE2 3.54Å; F24-Y28 HydrophobicContact CE2-CE2 3.54Å; F24-Y28 HydrophobicContact CE2-CG 4.5Å; F24-Y28 AromaticContact CG-CD2 3.91Å; F24-Y28 HydrophobicContact CG-CD2 3.91Å; F24-Y28 HydrophobicContact CG-CE2 4.32Å; F24-Y28 AromaticContact CZ-CD2 3.84Å; F24-Y28 HydrophobicContact CZ-CD2 3.84Å; F24-Y28 HydrophobicContact CZ-CE2 4.37Å; F24-Y28 WeakPolarHBondContact O-CD2 3.32Å; F24-Y28 PolarHBondContact O-N 3.1Å; Y28-A32 WeakPolarHBondContact O-CB 3.47Å; Y28-W96 HydrophobicContact CE2-CB 4Å; Y28-W96 HydrophobicContact CE2-CD2 4.36Å; Y28-W96 HydrophobicContact CE2-CE3 4.19Å; Y28-W96 HydrophobicContact CE2-CG 4.29Å; Y28-W96 PolarHBondContact OH-O 2.91Å; Y28-W96 VanDerWaalsContact OH-O 3.05Å; Y28-I99 WeakPolarHBondContact OH-CB 3.46Å; Y28-I99 WeakPolarHBondContact OH-CG2 3.3Å; Y28-I99 PolarHBondContact OH-O 2.75Å; Y28-I99 VanDerWaalsContact OH-O 3.09Å; Y28-L101 HydrophobicContact CD1-CB 4.32Å; Y28-L101 HydrophobicContact CD1-CD2 3.72Å; Y28-L101 WeakPolarHBondContact CD1-O 3.19Å; Y28-L101 HydrophobicContact CD2-CD2 4.15Å; Y28-L101 HydrophobicContact CE1-CB 3.62Å; Y28-L101 HydrophobicContact CE1-CD2 3.85Å; Y28-L101 HydrophobicContact CE1-CG 4.35Å; Y28-L101 WeakPolarHBondContact CE1-O 3.49Å; Y28-L101 HydrophobicContact CE2-CD2 4.26Å; Y28-L101 HydrophobicContact CG-CD2 3.86Å; Y28-I103 HydrophobicContact CG-CD1 4.5Å
29L92.9Very high89.6Confident1 Ų127.5 Ų27.51%0.00515%0.153CC..Iπ-helixtrans-113.5-58.4178.7-50.2170.9000110.6G25 N33 I103 L105 V112 L115 A116 F119G25-L29 WeakPolarHBondContact O-CA 3.33Å; G25-L29 WeakPolarHBondContact O-CB 3.48Å; G25-L29 PolarHBondContact O-N 3.4Å; L29-N33 VanDerWaalsContact O-CB 3.3Å; L29-N33 WeakPolarHBondContact O-CB 3.48Å; L29-N33 PolarHBondContact O-N 3.05Å; L29-N33 PolarHBondContact O-ND2 3.19Å; L29-I103 HydrophobicContact CD2-CD1 4.08Å; L29-L105 HydrophobicContact CD2-CD1 4.14Å; L29-V112 HydrophobicContact CB-CG1 4.18Å; L29-L115 HydrophobicContact CD1-CB 3.76Å; L29-L115 HydrophobicContact CD2-CB 4.5Å; L29-A116 HydrophobicContact CB-CB 3.85Å; L29-A116 HydrophobicContact CD1-CB 4.32Å; L29-F119 HydrophobicContact CD1-CB 4.48Å; L29-F119 HydrophobicContact CD1-CD2 3.72Å; L29-F119 HydrophobicContact CD1-CE2 4.31Å; L29-F119 HydrophobicContact CD1-CG 4.3Å
30N90.1Very high89Confident6 Ų627.9 Ų27.93%0.03216%0.156CC..Iπ-helixtrans-70.2-59.8-176.8-73-52000112.7G25 L26 A32 N33 H34 L35G25-N30 PolarHBondContact O-N 3.11Å; G25-N30 VanDerWaalsContact O-N 3.14Å; L26-N30 WeakPolarHBondContact O-CB 2.91Å; L26-N30 PolarHBondContact O-N 3.35Å; N30-A32 PolarHBondContact O-N 3.18Å; N30-N33 CarbonylContact O-C 3.41Å; N30-N33 PolarHBondContact O-N 2.87Å; N30-H34 PolarHBondContact O-N 3.34Å; N30-L35 HydrophobicContact CB-CB 4.37Å; N30-L35 PolarHBondContact O-N 3.2Å; N30-L35 WeakPolarHBondContact OD1-CB 3.24Å
31I88.5Confident88.2Confident81 Ų8129.7 Ų29.742%0.41517%0.165SC..Iπ-helixtrans-63.2-46.6-177-69.7171.5000110.5L26 V27 N33 H34L26-I31 HydrophobicContact CD2-CD1 3.33Å; L26-I31 HydrophobicContact CD2-CG1 3.76Å; L26-I31 WeakPolarHBondContact O-CG1 3.16Å; L26-I31 PolarHBondContact O-N 3.37Å; V27-I31 HydrophobicContact CG2-CD1 4.49Å; I31-N33 PolarHBondContact O-N 2.97Å; I31-H34 PolarHBondContact O-N 3.39Å
32A88.7Confident87.5Confident62 Ų6227.3 Ų27.351%0.51215%0.153SC..THydrogen-bonded Turntrans-60.5-29-179.100000113.8V27 Y28 N30V27-A32 PolarHBondContact O-N 3.45Å; Y28-A32 WeakPolarHBondContact O-CB 3.47Å; N30-A32 PolarHBondContact O-N 3.18Å
33N88.8Confident87.1Confident32 Ų3228.3 Ų28.317%0.17116%0.16CC..THydrogen-bonded Turntrans-109.213.1-179.2-62.7-86.5000113.4L29 N30 I31 L35 L109 V112L29-N33 VanDerWaalsContact O-CB 3.3Å; L29-N33 WeakPolarHBondContact O-CB 3.48Å; L29-N33 PolarHBondContact O-N 3.05Å; L29-N33 PolarHBondContact O-ND2 3.19Å; N30-N33 CarbonylContact O-C 3.41Å; N30-N33 PolarHBondContact O-N 2.87Å; I31-N33 PolarHBondContact O-N 2.97Å; N33-L35 HydrophobicContact CB-CG 4.36Å; N33-L35 PolarHBondContact O-N 3.49Å; N33-L35 VanDerWaalsContact O-N 3.14Å; N33-L109 HydrophobicContact CB-CD2 4.07Å; N33-V112 HydrophobicContact CB-CG1 3.86Å; N33-V112 WeakPolarHBondContact ND2-CG1 3.25Å
34H84.2Confident86.7Confident124 Ų12428.4 Ų28.457%0.57416%0.161SC*.THydrogen-bonded Turntrans51.534-178.7-52.9-65.6000114.3N30 I31N30-H34 PolarHBondContact O-N 3.34Å; I31-H34 PolarHBondContact O-N 3.39Å
35L84.1Confident86Confident12 Ų1229 Ų296%0.06317%0.166CC..  trans-72.6137.4168-60.3179.8000108N30 N33 L109 V112 A116 V182N30-L35 HydrophobicContact CB-CB 4.37Å; N30-L35 PolarHBondContact O-N 3.2Å; N30-L35 WeakPolarHBondContact OD1-CB 3.24Å; N33-L35 HydrophobicContact CB-CG 4.36Å; N33-L35 PolarHBondContact O-N 3.49Å; N33-L35 VanDerWaalsContact O-N 3.14Å; L35-L109 HydrophobicContact CD2-CD2 4.4Å; L35-V112 HydrophobicContact CD1-CG1 3.74Å; L35-A116 HydrophobicContact CD1-CB 4.5Å; L35-V182 HydrophobicContact CD1-CG2 3.94Å
36A76.1Confident85.6Confident19 Ų1930.3 Ų30.316%0.15717%0.172CC..  trans-72.4164.1177.500000109.9L171 T179A36-L171 HydrophobicContact CB-CD1 4.13Å; A36-T179 HydrophobicContact CB-CG2 4Å; A36-T179 PolarHBondContact N-OG1 3.25Å; A36-T179 VanDerWaalsContact N-OG1 3.08Å; A36-T179 WeakPolarHBondContact O-CG2 3.4Å
37E75.1Confident85.4Confident43 Ų4331.7 Ų31.720%0.20118%0.179CC..  trans-107143162.2-82.5-166.9144.500109.2Y22 L26 T41 G42Y22-E37 PolarHBondContact OH-OE1 2.93Å; L26-E37 WeakPolarHBondContact CD1-OE1 3.27Å; L26-E37 WeakPolarHBondContact CG-OE1 3.25Å; E37-T41 HydrophobicContact CB-CG2 4Å; E37-T41 PolarHBondContact OE2-OG1 3.05Å; E37-G42 WeakPolarHBondContact O-CA 3.46Å; E37-G42 PolarHBondContact O-N 3.29Å
38G75.8Confident85.1Confident9 Ų938.1 Ų38.19%0.09320%0.202CC..  trans-76.8-151.8166.500000111.6G42 D160G38-G42 PolarHBondContact O-N 3.36Å; G38-G42 VanDerWaalsContact O-N 3.07Å; G38-D160 VanDerWaalsContact CA-OD1 3.3Å; G38-D160 WeakPolarHBondContact CA-OD1 3.43Å
39G85Confident84.6Confident8 Ų840.3 Ų40.38%0.08222%0.223CC..Hα-helixtrans65.2-157.4173.300000114.3T41 G42 I43 F159 D160G39-T41 PolarHBondContact O-N 3.27Å; G39-G42 PolarHBondContact O-N 2.96Å; G39-I43 PolarHBondContact O-N 3.4Å; G39-F159 VanDerWaalsContact CA-CD1 3.41Å; G39-F159 VanDerWaalsContact CA-CE1 3.46Å; G39-F159 WeakPolarHBondContact O-CE1 3.39Å; G39-D160 PolarHBondContact N-OD1 3.29Å
40V86Confident84.4Confident8 Ų845.8 Ų45.85%0.04825%0.251CS..Hα-helixtrans-62.1-32.9177.41700000111G42 I43 T44 I62 L66 A137V40-G42 PolarHBondContact O-N 2.85Å; V40-I43 WeakPolarHBondContact O-CB 3.49Å; V40-I43 PolarHBondContact O-N 3.06Å; V40-T44 HydrophobicContact CG1-CG2 4.17Å; V40-T44 WeakPolarHBondContact O-CG2 3.34Å; V40-T44 PolarHBondContact O-N 3.36Å; V40-I62 HydrophobicContact CB-CG2 4.39Å; V40-I62 HydrophobicContact CG1-CB 3.96Å; V40-I62 HydrophobicContact CG1-CD1 4.24Å; V40-I62 HydrophobicContact CG1-CG2 3.57Å; V40-I62 HydrophobicContact CG2-CG2 3.85Å; V40-L66 HydrophobicContact CG2-CD1 4.03Å; V40-A137 HydrophobicContact CG2-CB 4.32Å
41T81.3Confident84.5Confident56 Ų5652.7 Ų52.734%0.34428%0.281SS..Hα-helixtrans-57.2-49.8174.5-49.90000110.9E37 G39 I43 T44 L45E37-T41 HydrophobicContact CB-CG2 4Å; E37-T41 PolarHBondContact OE2-OG1 3.05Å; G39-T41 PolarHBondContact O-N 3.27Å; T41-I43 VanDerWaalsContact C-N 3.31Å; T41-I43 PolarHBondContact O-N 3.23Å; T41-T44 PolarHBondContact O-N 2.83Å; T41-T44 VanDerWaalsContact O-N 3.1Å; T41-T44 PolarHBondContact O-OG1 3.47Å; T41-L45 PolarHBondContact O-N 3.32Å; T41-L45 VanDerWaalsContact O-N 3.11Å
42G82.4Confident84.5Confident2 Ų251.9 Ų51.92%0.02129%0.293CS..Hα-helixtrans-60.1-39.8177.100000112.8E37 G38 G39 V40 T44 L45 I46E37-G42 WeakPolarHBondContact O-CA 3.46Å; E37-G42 PolarHBondContact O-N 3.29Å; G38-G42 PolarHBondContact O-N 3.36Å; G38-G42 VanDerWaalsContact O-N 3.07Å; G39-G42 PolarHBondContact O-N 2.96Å; V40-G42 PolarHBondContact O-N 2.85Å; G42-T44 VanDerWaalsContact C-N 3.33Å; G42-T44 PolarHBondContact O-N 2.94Å; G42-L45 PolarHBondContact O-N 2.86Å; G42-I46 WeakPolarHBondContact O-CG1 3.43Å; G42-I46 PolarHBondContact O-N 3.26Å
43I87.8Confident84.6Confident51 Ų5152.5 Ų52.526%0.26229%0.287SS..Hα-helixtrans-59.3-43.7174.1-64.6177.4000111.5G39 V40 T41 L45 I46 I47 I62 F159 V163G39-I43 PolarHBondContact O-N 3.4Å; V40-I43 WeakPolarHBondContact O-CB 3.49Å; V40-I43 PolarHBondContact O-N 3.06Å; T41-I43 VanDerWaalsContact C-N 3.31Å; T41-I43 PolarHBondContact O-N 3.23Å; I43-L45 VanDerWaalsContact C-N 3.27Å; I43-L45 PolarHBondContact O-N 3.4Å; I43-I46 WeakPolarHBondContact O-CB 3.22Å; I43-I46 PolarHBondContact O-N 3.47Å; I43-I47 HydrophobicContact CG2-CD1 3.88Å; I43-I47 HydrophobicContact CG2-CG1 4.41Å; I43-I47 WeakPolarHBondContact O-CG1 3.44Å; I43-I47 PolarHBondContact O-N 2.89Å; I43-I62 HydrophobicContact CG2-CD1 4.01Å; I43-F159 HydrophobicContact CD1-CE1 3.64Å; I43-F159 HydrophobicContact CD1-CE2 4.47Å; I43-F159 HydrophobicContact CD1-CZ 3.36Å; I43-F159 HydrophobicContact CG1-CE1 4.28Å; I43-F159 HydrophobicContact CG1-CZ 4.45Å; I43-V163 HydrophobicContact CD1-CG2 4.17Å; I43-V163 HydrophobicContact CG1-CG1 4.38Å; I43-V163 HydrophobicContact CG1-CG2 3.67Å
44T86.7Confident84.7Confident2 Ų255 Ų551%0.01230%0.3CS..Hα-helixtrans-65-33.6-179.368.20000111.9V40 T41 G42 I47 R48 T58 T59 I62V40-T44 HydrophobicContact CG1-CG2 4.17Å; V40-T44 WeakPolarHBondContact O-CG2 3.34Å; V40-T44 PolarHBondContact O-N 3.36Å; T41-T44 PolarHBondContact O-N 2.83Å; T41-T44 VanDerWaalsContact O-N 3.1Å; T41-T44 PolarHBondContact O-OG1 3.47Å; G42-T44 VanDerWaalsContact C-N 3.33Å; G42-T44 PolarHBondContact O-N 2.94Å; T44-I47 PolarHBondContact O-N 3.27Å; T44-R48 PolarHBondContact O-N 3.44Å; T44-T58 WeakPolarHBondContact CB-OG1 3.35Å; T44-T59 WeakPolarHBondContact CG2-OG1 3.46Å; T44-I62 HydrophobicContact CG2-CD1 4.22Å
45L81.9Confident84.6Confident57 Ų5750.2 Ų50.230%0.29828%0.28SS..Hα-helixtrans-70-38.5174.2-66176.9000112.2T41 G42 I43 R48 A49 P55T41-L45 PolarHBondContact O-N 3.32Å; T41-L45 VanDerWaalsContact O-N 3.11Å; G42-L45 PolarHBondContact O-N 2.86Å; I43-L45 VanDerWaalsContact C-N 3.27Å; I43-L45 PolarHBondContact O-N 3.4Å; L45-R48 PolarHBondContact O-N 2.88Å; L45-A49 WeakPolarHBondContact O-CB 3.27Å; L45-A49 PolarHBondContact O-N 3.45Å; L45-P55 HydrophobicContact CD2-CG 4.32Å
46I85.4Confident84.8Confident27 Ų2752.1 Ų52.114%0.13830%0.298CS..Hα-helixtrans-60.6-47.4172.5-62.7166.8000109.8G42 I43 R48 A49 L50 V163 C166 S167 Y170G42-I46 WeakPolarHBondContact O-CG1 3.43Å; G42-I46 PolarHBondContact O-N 3.26Å; I43-I46 WeakPolarHBondContact O-CB 3.22Å; I43-I46 PolarHBondContact O-N 3.47Å; I46-R48 VanDerWaalsContact C-N 3.3Å; I46-R48 PolarHBondContact O-N 3.04Å; I46-A49 PolarHBondContact O-N 3.25Å; I46-A49 VanDerWaalsContact O-N 3.12Å; I46-L50 HydrophobicContact CG2-CD1 3.75Å; I46-L50 HydrophobicContact CG2-CG 4.28Å; I46-L50 WeakPolarHBondContact O-CG 3.26Å; I46-L50 PolarHBondContact O-N 2.85Å; I46-V163 HydrophobicContact CD1-CG1 4.13Å; I46-C166 HydrophobicContact CD1-CB 3.82Å; I46-S167 WeakPolarHBondContact CG1-OG 3.33Å; I46-Y170 HydrophobicContact CB-CE1 4.34Å; I46-Y170 HydrophobicContact CG1-CE1 3.84Å; I46-Y170 VanDerWaalsContact CG1-OH 3.24Å; I46-Y170 WeakPolarHBondContact CG1-OH 3.5Å; I46-Y170 PolarHBondContact N-OH 3.04Å
47I87.8Confident85.6Confident41 Ų4159 Ų5921%0.2132%0.321CS..Hα-helixtrans-61.4-41.2179.2-64.9166.8000110.6I43 T44 A49 L50 F51 I53 T58 I62I43-I47 HydrophobicContact CG2-CD1 3.88Å; I43-I47 HydrophobicContact CG2-CG1 4.41Å; I43-I47 WeakPolarHBondContact O-CG1 3.44Å; I43-I47 PolarHBondContact O-N 2.89Å; T44-I47 PolarHBondContact O-N 3.27Å; I47-A49 PolarHBondContact O-N 3.46Å; I47-L50 PolarHBondContact O-N 3.17Å; I47-F51 HydrophobicContact CG2-CD2 4.07Å; I47-F51 WeakPolarHBondContact O-CB 3.25Å; I47-F51 PolarHBondContact O-N 2.92Å; I47-I53 HydrophobicContact CG2-CB 4.23Å; I47-I53 HydrophobicContact CG2-CD1 4.06Å; I47-I53 HydrophobicContact CG2-CG1 4.49Å; I47-T58 HydrophobicContact CB-CG2 4.29Å; I47-T58 HydrophobicContact CD1-CG2 4.3Å; I47-T58 HydrophobicContact CG2-CG2 3.67Å; I47-I62 HydrophobicContact CD1-CD1 4.26Å
48R86.1Confident86.3Confident148 Ų14857.6 Ų57.656%0.55832%0.315SS*.Hα-helixtrans-60.5-44.3173.8-174.8-170.4-178.5175.8-2.1111.7T44 L45 I46 G52 I53 P55T44-R48 PolarHBondContact O-N 3.44Å; L45-R48 PolarHBondContact O-N 2.88Å; I46-R48 VanDerWaalsContact C-N 3.3Å; I46-R48 PolarHBondContact O-N 3.04Å; R48-G52 WeakPolarHBondContact O-CA 3.44Å; R48-G52 PolarHBondContact O-N 3.42Å; R48-I53 WeakPolarHBondContact CA-O 3.08Å; R48-I53 WeakPolarHBondContact CB-O 3.39Å; R48-I53 WeakPolarHBondContact CG-O 3.49Å; R48-P55 HydrophobicContact CB-CG 4.15Å; R48-P55 HydrophobicContact CG-CG 4.32Å
49A82.8Confident87Confident58 Ų5859.1 Ų59.148%0.47932%0.323SS..Hα-helixtrans-65.8-37.8-17900000112.7L45 I46 I47 Y170L45-A49 WeakPolarHBondContact O-CB 3.27Å; L45-A49 PolarHBondContact O-N 3.45Å; I46-A49 PolarHBondContact O-N 3.25Å; I46-A49 VanDerWaalsContact O-N 3.12Å; I47-A49 PolarHBondContact O-N 3.46Å; A49-Y170 HydrophobicContact CB-CD1 3.98Å; A49-Y170 HydrophobicContact CB-CD2 4.41Å; A49-Y170 HydrophobicContact CB-CE1 4.14Å; A49-Y170 HydrophobicContact CB-CG 4.12Å
50L87.9Confident87.3Confident116 Ų11663.7 Ų63.761%0.60735%0.345SS*.Hα-helixtrans-85.2-37.1-177.1-64.7177.5000113.8I46 I47I46-L50 HydrophobicContact CG2-CD1 3.75Å; I46-L50 HydrophobicContact CG2-CG 4.28Å; I46-L50 WeakPolarHBondContact O-CG 3.26Å; I46-L50 PolarHBondContact O-N 2.85Å; I47-L50 PolarHBondContact O-N 3.17Å
51F92Very high87.7Confident150 Ų15069.6 Ų69.666%0.65838%0.375SS*.Hα-helixtrans-121.8-5.1-170-57.9-78000114I47 I53I47-F51 HydrophobicContact CG2-CD2 4.07Å; I47-F51 WeakPolarHBondContact O-CB 3.25Å; I47-F51 PolarHBondContact O-N 2.92Å; F51-I53 HydrophobicContact CB-CD1 3.94Å; F51-I53 HydrophobicContact CB-CG1 3.88Å; F51-I53 PolarHBondContact O-N 2.93Å
52G88.6Confident88.3Confident64 Ų6468.8 Ų68.866%0.6637%0.369SS*.  trans70.910.6-179.200000115R48R48-G52 WeakPolarHBondContact O-CA 3.44Å; R48-G52 PolarHBondContact O-N 3.42Å
53I91.8Very high88.7Confident75 Ų7570 Ų7039%0.38538%0.375SS..  trans-77.1137.5-177.2-53.2174.1000110I47 R48 F51 T58I47-I53 HydrophobicContact CG2-CB 4.23Å; I47-I53 HydrophobicContact CG2-CD1 4.06Å; I47-I53 HydrophobicContact CG2-CG1 4.49Å; R48-I53 WeakPolarHBondContact CA-O 3.08Å; R48-I53 WeakPolarHBondContact CB-O 3.39Å; R48-I53 WeakPolarHBondContact CG-O 3.49Å; F51-I53 HydrophobicContact CB-CD1 3.94Å; F51-I53 HydrophobicContact CB-CG1 3.88Å; F51-I53 PolarHBondContact O-N 2.93Å; I53-T58 HydrophobicContact CB-CG2 4.11Å; I53-T58 HydrophobicContact CG2-CG2 3.62Å
54D89.5Confident89Confident85 Ų8572 Ų7246%0.45539%0.385SS..  trans-59128.2177.4-165-42.1000111.3A56 Y57 T58D54-A56 PolarHBondContact O-N 3.42Å; D54-A56 VanDerWaalsContact O-N 3.12Å; D54-A56 VanDerWaalsContact OD1-CB 3.31Å; D54-A56 WeakPolarHBondContact OD1-CB 3.49Å; D54-A56 PolarHBondContact OD1-N 3.08Å; D54-Y57 HydrophobicContact CB-CD2 3.59Å; D54-Y57 HydrophobicContact CB-CE2 3.87Å; D54-Y57 PolarHBondContact O-N 3.45Å; D54-Y57 VanDerWaalsContact O-N 3.17Å; D54-T58 PolarHBondContact O-N 3.4Å; D54-T58 PolarHBondContact O-OG1 3.42Å
55P83.6Confident89.4Confident23 Ų2374.8 Ų74.815%0.14940%0.403CS..Hα-helixtrans-50.6-30.5172.3-29.837.5000114.1L45 R48 T58 T59L45-P55 HydrophobicContact CD2-CG 4.32Å; R48-P55 HydrophobicContact CB-CG 4.15Å; R48-P55 HydrophobicContact CG-CG 4.32Å; P55-T58 VanDerWaalsContact CA-OG1 3.28Å; P55-T58 WeakPolarHBondContact CA-OG1 3.38Å; P55-T58 PolarHBondContact O-N 3.39Å; P55-T58 PolarHBondContact O-OG1 2.83Å; P55-T58 VanDerWaalsContact O-OG1 3.11Å; P55-T59 WeakPolarHBondContact O-CB 3.26Å; P55-T59 PolarHBondContact O-N 3.06Å; P55-T59 PolarHBondContact O-OG1 3.24Å
56A87Confident89.9Confident53 Ų5373.5 Ų73.544%0.43840%0.396SS..Hα-helixtrans-61-46.7178.500000112.3D54 L60D54-A56 PolarHBondContact O-N 3.42Å; D54-A56 VanDerWaalsContact O-N 3.12Å; D54-A56 VanDerWaalsContact OD1-CB 3.31Å; D54-A56 WeakPolarHBondContact OD1-CB 3.49Å; D54-A56 PolarHBondContact OD1-N 3.08Å; A56-L60 WeakPolarHBondContact O-CG 3.49Å; A56-L60 PolarHBondContact O-N 3.49Å
57Y92.2Very high90.3Very high164 Ų16473.4 Ų73.464%0.64340%0.396SS*.Hα-helixtrans-69-44.5179.1-60.6-57.1000111.6D54 L60 L61D54-Y57 HydrophobicContact CB-CD2 3.59Å; D54-Y57 HydrophobicContact CB-CE2 3.87Å; D54-Y57 PolarHBondContact O-N 3.45Å; D54-Y57 VanDerWaalsContact O-N 3.17Å; Y57-L60 PolarHBondContact O-N 3.42Å; Y57-L61 VanDerWaalsContact O-CB 3.31Å; Y57-L61 WeakPolarHBondContact O-CB 3.11Å; Y57-L61 PolarHBondContact O-N 3Å
58T91.4Very high90.6Very high13 Ų1376.4 Ų76.48%0.0841%0.412CS..Hα-helixtrans-67.5-37.6-178.852.60000111.7T44 I47 I53 D54 P55 L61 I62T44-T58 WeakPolarHBondContact CB-OG1 3.35Å; I47-T58 HydrophobicContact CB-CG2 4.29Å; I47-T58 HydrophobicContact CD1-CG2 4.3Å; I47-T58 HydrophobicContact CG2-CG2 3.67Å; I53-T58 HydrophobicContact CB-CG2 4.11Å; I53-T58 HydrophobicContact CG2-CG2 3.62Å; D54-T58 PolarHBondContact O-N 3.4Å; D54-T58 PolarHBondContact O-OG1 3.42Å; P55-T58 VanDerWaalsContact CA-OG1 3.28Å; P55-T58 WeakPolarHBondContact CA-OG1 3.38Å; P55-T58 PolarHBondContact O-N 3.39Å; P55-T58 PolarHBondContact O-OG1 2.83Å; P55-T58 VanDerWaalsContact O-OG1 3.11Å; T58-L61 PolarHBondContact O-N 3.05Å; T58-I62 WeakPolarHBondContact O-CB 3.04Å; T58-I62 VanDerWaalsContact O-CG1 3.28Å; T58-I62 WeakPolarHBondContact O-CG1 3.44Å; T58-I62 PolarHBondContact O-N 3.42Å
59T89.9Confident90.9Very high41 Ų4173.8 Ų73.825%0.25241%0.408SS..Hα-helixtrans-62-46.4175.6-62.30000110.9T44 P55 I62 N63T44-T59 WeakPolarHBondContact CG2-OG1 3.46Å; P55-T59 WeakPolarHBondContact O-CB 3.26Å; P55-T59 PolarHBondContact O-N 3.06Å; P55-T59 PolarHBondContact O-OG1 3.24Å; T59-I62 PolarHBondContact O-N 2.76Å; T59-N63 VanDerWaalsContact CG2-ND2 3.27Å; T59-N63 WeakPolarHBondContact CG2-ND2 3.18Å; T59-N63 WeakPolarHBondContact O-CB 3.24Å; T59-N63 VanDerWaalsContact O-CG 3.29Å; T59-N63 PolarHBondContact O-N 2.79Å; T59-N63 PolarHBondContact O-ND2 2.78Å
60L91.1Very high91.2Very high104 Ų10471.1 Ų71.155%0.54539%0.386SS..Hα-helixtrans-64.5-44.9177-72.8174.2000111.9A56 Y57 I62 N63 I64A56-L60 WeakPolarHBondContact O-CG 3.49Å; A56-L60 PolarHBondContact O-N 3.49Å; Y57-L60 PolarHBondContact O-N 3.42Å; L60-I62 VanDerWaalsContact C-N 3.26Å; L60-I62 PolarHBondContact O-N 3.34Å; L60-N63 PolarHBondContact O-N 3.09Å; L60-I64 HydrophobicContact CB-CD1 4.39Å; L60-I64 WeakPolarHBondContact O-CB 3.44Å; L60-I64 VanDerWaalsContact O-CG1 3.31Å; L60-I64 WeakPolarHBondContact O-CG1 3.37Å; L60-I64 PolarHBondContact O-N 3.1Å
61L94Very high91.2Very high131 Ų13166.2 Ų66.269%0.68636%0.363SS*.Hα-helixtrans-62.5-33-179.1-171.7145.5000112.3Y57 T58 P65Y57-L61 VanDerWaalsContact O-CB 3.31Å; Y57-L61 WeakPolarHBondContact O-CB 3.11Å; Y57-L61 PolarHBondContact O-N 3Å; T58-L61 PolarHBondContact O-N 3.05Å; L61-P65 WeakPolarHBondContact O-CD 3.43Å; L61-P65 VanDerWaalsContact O-CG 3.23Å; L61-P65 WeakPolarHBondContact O-CG 3.49Å
62I93.4Very high91.1Very high40 Ų4068 Ų6821%0.20537%0.371CS..Hα-helixtrans-83.6-46.1176.4-64167000111.2V40 I43 T44 I47 T58 T59 L60 P65 L66V40-I62 HydrophobicContact CB-CG2 4.39Å; V40-I62 HydrophobicContact CG1-CB 3.96Å; V40-I62 HydrophobicContact CG1-CD1 4.24Å; V40-I62 HydrophobicContact CG1-CG2 3.57Å; V40-I62 HydrophobicContact CG2-CG2 3.85Å; I43-I62 HydrophobicContact CG2-CD1 4.01Å; T44-I62 HydrophobicContact CG2-CD1 4.22Å; I47-I62 HydrophobicContact CD1-CD1 4.26Å; T58-I62 WeakPolarHBondContact O-CB 3.04Å; T58-I62 VanDerWaalsContact O-CG1 3.28Å; T58-I62 WeakPolarHBondContact O-CG1 3.44Å; T58-I62 PolarHBondContact O-N 3.42Å; T59-I62 PolarHBondContact O-N 2.76Å; L60-I62 VanDerWaalsContact C-N 3.26Å; L60-I62 PolarHBondContact O-N 3.34Å; I62-P65 WeakPolarHBondContact O-CD 3.24Å; I62-L66 HydrophobicContact CG2-CD1 3.7Å; I62-L66 HydrophobicContact CG2-CG 4.41Å; I62-L66 VanDerWaalsContact O-CG 3.24Å; I62-L66 WeakPolarHBondContact O-CG 3.3Å; I62-L66 PolarHBondContact O-N 3.38Å
63N92.4Very high90.9Very high28 Ų2868 Ų6815%0.1536%0.355CS..Hα-helixtrans-69.4-38.8-173.6-76.7-19.2000113.4T59 L60 L66 I67 G136T59-N63 VanDerWaalsContact CG2-ND2 3.27Å; T59-N63 WeakPolarHBondContact CG2-ND2 3.18Å; T59-N63 WeakPolarHBondContact O-CB 3.24Å; T59-N63 VanDerWaalsContact O-CG 3.29Å; T59-N63 PolarHBondContact O-N 2.79Å; T59-N63 PolarHBondContact O-ND2 2.78Å; L60-N63 PolarHBondContact O-N 3.09Å; N63-L66 PolarHBondContact O-N 3.39Å; N63-I67 WeakPolarHBondContact O-CB 3.28Å; N63-I67 VanDerWaalsContact O-CG1 3.25Å; N63-I67 WeakPolarHBondContact O-CG1 3.43Å; N63-I67 PolarHBondContact O-N 3.33Å; N63-G136 WeakPolarHBondContact OD1-CA 3.35Å; N63-G136 PolarHBondContact OD1-N 3.15Å; N63-G136 VanDerWaalsContact OD1-N 3.08Å
64I93.4Very high90.4Very high93 Ų9365.9 Ų65.948%0.47734%0.344SS..Hα-helixtrans-60.9-53.7-177.2-68.9168.6000111.1L60 L66 I67 L68L60-I64 HydrophobicContact CB-CD1 4.39Å; L60-I64 WeakPolarHBondContact O-CB 3.44Å; L60-I64 VanDerWaalsContact O-CG1 3.31Å; L60-I64 WeakPolarHBondContact O-CG1 3.37Å; L60-I64 PolarHBondContact O-N 3.1Å; I64-L66 VanDerWaalsContact C-N 3.32Å; I64-L66 PolarHBondContact O-N 3.42Å; I64-I67 PolarHBondContact O-N 2.77Å; I64-L68 HydrophobicContact CG2-CD1 4.05Å; I64-L68 WeakPolarHBondContact O-CG 3.46Å; I64-L68 PolarHBondContact O-N 3.24Å
65P94.3Very high90.1Very high60 Ų6063.2 Ų63.239%0.3934%0.336SS..Hα-helixtrans-58.7-41.3175.3-25.435000113L61 I62 I67 L68 I69L61-P65 WeakPolarHBondContact O-CD 3.43Å; L61-P65 VanDerWaalsContact O-CG 3.23Å; L61-P65 WeakPolarHBondContact O-CG 3.49Å; I62-P65 WeakPolarHBondContact O-CD 3.24Å; P65-I67 PolarHBondContact O-N 3.37Å; P65-L68 PolarHBondContact O-N 3.25Å; P65-I69 WeakPolarHBondContact O-CB 3.44Å; P65-I69 VanDerWaalsContact O-CG1 3.25Å; P65-I69 WeakPolarHBondContact O-CG1 3.32Å; P65-I69 PolarHBondContact O-N 3.43Å
66L93.9Very high90.2Very high30 Ų3070.1 Ų70.116%0.15736%0.364CS..Hα-helixtrans-60.4-46178.5-73177.9000111.6V40 I62 N63 I64 L68 I69 G70 V139 I140V40-L66 HydrophobicContact CG2-CD1 4.03Å; I62-L66 HydrophobicContact CG2-CD1 3.7Å; I62-L66 HydrophobicContact CG2-CG 4.41Å; I62-L66 VanDerWaalsContact O-CG 3.24Å; I62-L66 WeakPolarHBondContact O-CG 3.3Å; I62-L66 PolarHBondContact O-N 3.38Å; N63-L66 PolarHBondContact O-N 3.39Å; I64-L66 VanDerWaalsContact C-N 3.32Å; I64-L66 PolarHBondContact O-N 3.42Å; L66-L68 PolarHBondContact O-N 3.07Å; L66-I69 PolarHBondContact O-N 3.22Å; L66-G70 WeakPolarHBondContact O-CA 3.47Å; L66-G70 PolarHBondContact O-N 3.1Å; L66-V139 WeakPolarHBondContact O-CG1 3.26Å; L66-I140 HydrophobicContact CD1-CD1 3.98Å; L66-I140 HydrophobicContact CD1-CG1 4.25Å; L66-I140 HydrophobicContact CD2-CD1 3.82Å; L66-I140 HydrophobicContact CD2-CG1 3.62Å
67I92.5Very high90Very high25 Ų2572.7 Ų72.713%0.12836%0.363CS..Hα-helixtrans-64.6-39.8178.3-66.9168.9000111N63 I64 P65 G71 F79 T82 I83 V139N63-I67 WeakPolarHBondContact O-CB 3.28Å; N63-I67 VanDerWaalsContact O-CG1 3.25Å; N63-I67 WeakPolarHBondContact O-CG1 3.43Å; N63-I67 PolarHBondContact O-N 3.33Å; I64-I67 PolarHBondContact O-N 2.77Å; P65-I67 PolarHBondContact O-N 3.37Å; I67-G71 PolarHBondContact O-N 3.27Å; I67-F79 HydrophobicContact CG2-CD2 3.95Å; I67-F79 HydrophobicContact CG2-CE2 3.77Å; I67-T82 HydrophobicContact CD1-CG2 4.37Å; I67-T82 HydrophobicContact CG1-CG2 3.96Å; I67-T82 HydrophobicContact CG2-CG2 4.34Å; I67-I83 HydrophobicContact CG2-CG1 4.31Å; I67-V139 HydrophobicContact CG1-CG2 4.41Å
68L93.9Very high89.6Confident104 Ų10465.4 Ų65.455%0.54534%0.336SS..Hα-helixtrans-66.5-47.2177.5-68.4174000112.2I64 P65 L66 G71 K72 F79I64-L68 HydrophobicContact CG2-CD1 4.05Å; I64-L68 WeakPolarHBondContact O-CG 3.46Å; I64-L68 PolarHBondContact O-N 3.24Å; P65-L68 PolarHBondContact O-N 3.25Å; L66-L68 PolarHBondContact O-N 3.07Å; L68-G71 PolarHBondContact O-N 3.48Å; L68-K72 PolarHBondContact O-N 3.22Å; L68-K72 VanDerWaalsContact O-N 3.08Å; L68-F79 HydrophobicContact CD2-CE2 4.25Å
69I93.7Very high89.5Confident92 Ų9267.3 Ų67.347%0.47234%0.343SS..Hα-helixtrans-63.3-46.7176.8-67.9167000109.8P65 L66 G71 K72 I73P65-I69 WeakPolarHBondContact O-CB 3.44Å; P65-I69 VanDerWaalsContact O-CG1 3.25Å; P65-I69 WeakPolarHBondContact O-CG1 3.32Å; P65-I69 PolarHBondContact O-N 3.43Å; L66-I69 PolarHBondContact O-N 3.22Å; I69-G71 VanDerWaalsContact C-N 3.33Å; I69-G71 PolarHBondContact O-N 3.12Å; I69-K72 PolarHBondContact O-N 3.26Å; I69-I73 HydrophobicContact CG2-CD1 3.71Å; I69-I73 WeakPolarHBondContact O-CG1 3.42Å; I69-I73 PolarHBondContact O-N 2.94Å
70G89Confident89.7Confident2 Ų272.5 Ų72.52%0.02136%0.359CS..Hα-helixtrans-57.4-44.1174.800000112.1L66 K72 I73 L74L66-G70 WeakPolarHBondContact O-CA 3.47Å; L66-G70 PolarHBondContact O-N 3.1Å; G70-K72 VanDerWaalsContact C-N 3.32Å; G70-K72 PolarHBondContact O-N 3.33Å; G70-I73 PolarHBondContact O-N 2.7Å; G70-L74 WeakPolarHBondContact O-CB 3.36Å; G70-L74 VanDerWaalsContact O-CG 3.24Å; G70-L74 WeakPolarHBondContact O-CG 3.23Å; G70-L74 PolarHBondContact O-N 2.98Å
71G87.7Confident89.8Confident13 Ų1368.5 Ų68.513%0.13434%0.337CS..Hα-helixtrans-63.2-35.517700000113.8I67 L68 I69 G75I67-G71 PolarHBondContact O-N 3.27Å; L68-G71 PolarHBondContact O-N 3.48Å; I69-G71 VanDerWaalsContact C-N 3.33Å; I69-G71 PolarHBondContact O-N 3.12Å; G71-G75 CarbonylContact O-C 3.58Å; G71-G75 VanDerWaalsContact O-CA 3.3Å; G71-G75 WeakPolarHBondContact O-CA 3.48Å; G71-G75 PolarHBondContact O-N 3.31Å; G71-G75 VanDerWaalsContact O-N 3.1Å
72K90.3Very high89.7Confident188 Ų18862.5 Ų62.582%0.81731%0.305SS*.Hα-helixtrans-70-36.5175.7-171.3177.7178.4-178.90112.4L68 I69 G70L68-K72 PolarHBondContact O-N 3.22Å; L68-K72 VanDerWaalsContact O-N 3.08Å; I69-K72 PolarHBondContact O-N 3.26Å; G70-K72 VanDerWaalsContact C-N 3.32Å; G70-K72 PolarHBondContact O-N 3.33Å
73I84.4Confident89.8Confident65 Ų6563.8 Ų63.833%0.33331%0.312SS..Hα-helixtrans-86.1-47.1-176.3-62.9171.8000111.9I69 G70 I143I69-I73 HydrophobicContact CG2-CD1 3.71Å; I69-I73 WeakPolarHBondContact O-CG1 3.42Å; I69-I73 PolarHBondContact O-N 2.94Å; G70-I73 PolarHBondContact O-N 2.7Å; I73-I143 HydrophobicContact CD1-CD1 4.2Å; I73-I143 HydrophobicContact CD1-CG1 4.48Å; I73-I143 HydrophobicContact CD1-CG2 4.25Å; I73-I143 HydrophobicContact CG2-CG1 4.43Å; I73-I143 HydrophobicContact CG2-CG2 4.32Å
74L80.4Confident90Very high30 Ų3064.8 Ų64.816%0.15732%0.317CS..Hα-helixtrans-85.9-16.7-174.6-53.3174.3000112.7G70 R142 I143 Q146G70-L74 WeakPolarHBondContact O-CB 3.36Å; G70-L74 VanDerWaalsContact O-CG 3.24Å; G70-L74 WeakPolarHBondContact O-CG 3.23Å; G70-L74 PolarHBondContact O-N 2.98Å; L74-R142 HydrophobicContact CD1-CB 3.92Å; L74-R142 HydrophobicContact CD1-CG 3.61Å; L74-R142 HydrophobicContact CD2-CB 4.43Å; L74-R142 HydrophobicContact CD2-CG 3.85Å; L74-R142 HydrophobicContact CG-CG 4.37Å; L74-I143 HydrophobicContact CD1-CG1 4.33Å; L74-I143 HydrophobicContact CD2-CG1 4.03Å; L74-I143 HydrophobicContact CG-CG1 4.16Å; L74-Q146 HydrophobicContact CD2-CB 4.41Å
75G84.4Confident90.2Very high28 Ų2860.3 Ų60.329%0.28929%0.294SS..  trans93.3169.4177.500000115.2G71 R77 S78 F79G71-G75 CarbonylContact O-C 3.58Å; G71-G75 VanDerWaalsContact O-CA 3.3Å; G71-G75 WeakPolarHBondContact O-CA 3.48Å; G71-G75 PolarHBondContact O-N 3.31Å; G71-G75 VanDerWaalsContact O-N 3.1Å; G75-R77 VanDerWaalsContact C-N 3.33Å; G75-R77 PolarHBondContact O-N 3.08Å; G75-S78 PolarHBondContact O-N 3.04Å; G75-F79 PolarHBondContact O-N 3.24Å; G75-F79 VanDerWaalsContact O-N 3.09Å
76K85.1Confident90.2Very high168 Ų16859.1 Ų59.173%0.7329%0.286SS*.Hα-helixtrans-57-39.4-171-65.9-175.1179.4-178.30114F79 Y80K76-F79 WeakPolarHBondContact O-CB 3.38Å; K76-F79 PolarHBondContact O-N 3.2Å; K76-Y80 HydrophobicContact CB-CE2 4.32Å; K76-Y80 WeakPolarHBondContact O-CD2 3.19Å; K76-Y80 PolarHBondContact O-N 3.01Å; K76-Y80 VanDerWaalsContact O-N 3.08Å
77R82.6Confident90.3Very high107 Ų10761.6 Ų61.640%0.40430%0.302SS..Hα-helixtrans-62.5-48.9-179.9176.8-178.5157.8176.1-6.8111.1E11 G75 F79 Y80 Y81 N130E11-R77 VanDerWaalsContact CD-CZ 3.46Å; E11-R77 IonicContact OE1-CZ 2.66Å; E11-R77 IonicContact OE1-NH1 3.48Å; E11-R77 PolarHBondContact OE1-NH1 2.95Å; E11-R77 IonicContact OE1-NH2 3.19Å; E11-R77 PolarHBondContact OE1-NH2 3.42Å; E11-R77 IonicContact OE2-CZ 3.05Å; E11-R77 IonicContact OE2-NE 3.68Å; E11-R77 IonicContact OE2-NH1 3.19Å; E11-R77 IonicContact OE2-NH2 3.65Å; E11-R77 PolarHBondContact OE2-NH2 2.96Å; G75-R77 VanDerWaalsContact C-N 3.33Å; G75-R77 PolarHBondContact O-N 3.08Å; R77-F79 VanDerWaalsContact C-N 3.32Å; R77-F79 PolarHBondContact O-N 3.3Å; R77-Y80 PolarHBondContact O-N 2.82Å; R77-Y81 HydrophobicContact CG-CD2 4.11Å; R77-Y81 HydrophobicContact CG-CE1 4.49Å; R77-Y81 HydrophobicContact CG-CE2 3.92Å; R77-Y81 HydrophobicContact CG-CG 4.5Å; R77-Y81 VanDerWaalsContact NE-CE2 3.3Å; R77-Y81 WeakPolarHBondContact O-CB 3.3Å; R77-Y81 PolarHBondContact O-N 2.93Å; R77-N130 PolarHBondContact NH2-O 2.95Å
78S83.9Confident90.5Very high12 Ų1261.2 Ų61.28%0.08430%0.302CS..Hα-helixtrans-64.2-40.8179.3-171.50000110.7G75 Y80 Y81 T82 G131G75-S78 PolarHBondContact O-N 3.04Å; S78-Y80 PolarHBondContact O-N 3.09Å; S78-Y81 PolarHBondContact O-N 3.29Å; S78-T82 WeakPolarHBondContact O-CB 3.2Å; S78-T82 PolarHBondContact O-N 3.36Å; S78-T82 PolarHBondContact O-OG1 2.91Å; S78-T82 VanDerWaalsContact O-OG1 3.05Å; S78-G131 WeakPolarHBondContact CA-O 3.09Å; S78-G131 PolarHBondContact OG-O 3.03Å
79F89.8Confident90.6Very high52 Ų5257.1 Ų57.123%0.22828%0.28CS..Hα-helixtrans-53.2-54173.8-179.9-105.8000113.4I67 L68 G75 K76 R77 Y81 T82 I83I67-F79 HydrophobicContact CG2-CD2 3.95Å; I67-F79 HydrophobicContact CG2-CE2 3.77Å; L68-F79 HydrophobicContact CD2-CE2 4.25Å; G75-F79 PolarHBondContact O-N 3.24Å; G75-F79 VanDerWaalsContact O-N 3.09Å; K76-F79 WeakPolarHBondContact O-CB 3.38Å; K76-F79 PolarHBondContact O-N 3.2Å; R77-F79 VanDerWaalsContact C-N 3.32Å; R77-F79 PolarHBondContact O-N 3.3Å; F79-Y81 VanDerWaalsContact C-N 3.35Å; F79-Y81 PolarHBondContact O-N 3.45Å; F79-T82 PolarHBondContact O-N 3.13Å; F79-I83 HydrophobicContact CD1-CD1 3.91Å; F79-I83 HydrophobicContact CD2-CD1 4.43Å; F79-I83 HydrophobicContact CE1-CD1 3.42Å; F79-I83 VanDerWaalsContact CE1-CD1 3.42Å; F79-I83 HydrophobicContact CE2-CD1 4.01Å; F79-I83 HydrophobicContact CG-CD1 4.41Å; F79-I83 HydrophobicContact CZ-CD1 3.49Å; F79-I83 VanDerWaalsContact CZ-CD1 3.49Å; F79-I83 WeakPolarHBondContact O-CG1 3.42Å; F79-I83 PolarHBondContact O-N 3.06Å
80Y93.5Very high90.6Very high150 Ų15056.1 Ų56.159%0.58828%0.281SS*.Hα-helixtrans-65.7-37.2179.6-70-61.5000112.7K76 R77 S78 I83 L84K76-Y80 HydrophobicContact CB-CE2 4.32Å; K76-Y80 WeakPolarHBondContact O-CD2 3.19Å; K76-Y80 PolarHBondContact O-N 3.01Å; K76-Y80 VanDerWaalsContact O-N 3.08Å; R77-Y80 PolarHBondContact O-N 2.82Å; S78-Y80 PolarHBondContact O-N 3.09Å; Y80-I83 PolarHBondContact O-N 3.09Å; Y80-L84 WeakPolarHBondContact O-CB 3.39Å; Y80-L84 PolarHBondContact O-N 3.46Å
81Y92.6Very high91Very high21 Ų2159.5 Ų59.58%0.08230%0.301CS..Hα-helixtrans-71.6-31.2178.5-74.16.4000112.4E11 I12 I15 R77 S78 F79 G85 N130E11-Y81 HydrophobicContact CB-CE2 3.92Å; E11-Y81 HydrophobicContact CG-CE2 4.48Å; E11-Y81 WeakPolarHBondContact OE2-CE2 3.33Å; E11-Y81 PolarHBondContact OE2-OH 2.93Å; I12-Y81 HydrophobicContact CG1-CE1 4.29Å; I15-Y81 HydrophobicContact CD1-CD1 4.27Å; I15-Y81 HydrophobicContact CD1-CD2 3.61Å; I15-Y81 HydrophobicContact CD1-CE2 4.22Å; I15-Y81 HydrophobicContact CD1-CG 3.63Å; R77-Y81 HydrophobicContact CG-CD2 4.11Å; R77-Y81 HydrophobicContact CG-CE1 4.49Å; R77-Y81 HydrophobicContact CG-CE2 3.92Å; R77-Y81 HydrophobicContact CG-CG 4.5Å; R77-Y81 VanDerWaalsContact NE-CE2 3.3Å; R77-Y81 WeakPolarHBondContact O-CB 3.3Å; R77-Y81 PolarHBondContact O-N 2.93Å; S78-Y81 PolarHBondContact O-N 3.29Å; F79-Y81 VanDerWaalsContact C-N 3.35Å; F79-Y81 PolarHBondContact O-N 3.45Å; Y81-G85 PolarHBondContact O-N 3.5Å; Y81-N130 VanDerWaalsContact CD2-O 3.31Å; Y81-N130 WeakPolarHBondContact CD2-O 3.49Å; Y81-N130 WeakPolarHBondContact CE2-O 3.46Å
82T93.3Very high91.5Very high4 Ų460.7 Ų60.73%0.02530%0.303CS..Hα-helixtrans-68.1-45.5170.5-67.10000111.1I67 S78 F79 L84 G85 T86 T133 V139I67-T82 HydrophobicContact CD1-CG2 4.37Å; I67-T82 HydrophobicContact CG1-CG2 3.96Å; I67-T82 HydrophobicContact CG2-CG2 4.34Å; S78-T82 WeakPolarHBondContact O-CB 3.2Å; S78-T82 PolarHBondContact O-N 3.36Å; S78-T82 PolarHBondContact O-OG1 2.91Å; S78-T82 VanDerWaalsContact O-OG1 3.05Å; F79-T82 PolarHBondContact O-N 3.13Å; T82-L84 VanDerWaalsContact C-N 3.31Å; T82-L84 PolarHBondContact O-N 3.28Å; T82-G85 PolarHBondContact O-N 2.9Å; T82-T86 WeakPolarHBondContact O-CB 3.31Å; T82-T86 PolarHBondContact O-N 3.25Å; T82-T86 PolarHBondContact O-OG1 3.39Å; T82-T86 VanDerWaalsContact O-OG1 3.06Å; T82-T133 WeakPolarHBondContact CA-O 3.34Å; T82-T133 WeakPolarHBondContact CB-OG1 3.43Å; T82-T133 WeakPolarHBondContact CG2-OG1 3.21Å; T82-T133 PolarHBondContact OG1-N 2.84Å; T82-T133 PolarHBondContact OG1-OG1 2.92Å; T82-V139 HydrophobicContact CG2-CG2 4.1Å
83I95.6Very high91.7Very high67 Ų6753.4 Ų53.434%0.34427%0.273SS..Hα-helixtrans-58.6-47174.7-69170.3000110.4I67 F79 Y80 G85 T86 V87I67-I83 HydrophobicContact CG2-CG1 4.31Å; F79-I83 HydrophobicContact CD1-CD1 3.91Å; F79-I83 HydrophobicContact CD2-CD1 4.43Å; F79-I83 HydrophobicContact CE1-CD1 3.42Å; F79-I83 VanDerWaalsContact CE1-CD1 3.42Å; F79-I83 HydrophobicContact CE2-CD1 4.01Å; F79-I83 HydrophobicContact CG-CD1 4.41Å; F79-I83 HydrophobicContact CZ-CD1 3.49Å; F79-I83 VanDerWaalsContact CZ-CD1 3.49Å; F79-I83 WeakPolarHBondContact O-CG1 3.42Å; F79-I83 PolarHBondContact O-N 3.06Å; Y80-I83 PolarHBondContact O-N 3.09Å; I83-G85 VanDerWaalsContact C-N 3.34Å; I83-G85 PolarHBondContact O-N 3.36Å; I83-T86 PolarHBondContact O-N 3.44Å; I83-V87 HydrophobicContact CG2-CG2 4.36Å; I83-V87 WeakPolarHBondContact O-CB 3.43Å; I83-V87 VanDerWaalsContact O-CG2 3.28Å; I83-V87 WeakPolarHBondContact O-CG2 3.34Å; I83-V87 PolarHBondContact O-N 3.02Å
84L96.7Very high92.2Very high49 Ų4957.3 Ų57.326%0.25728%0.283SS..Hα-helixtrans-57.6-47.7175.2177.967.5000111.2I12 I15 Y80 T82 V87 C88I12-L84 HydrophobicContact CB-CD2 4.4Å; I12-L84 HydrophobicContact CG1-CD2 4.15Å; I12-L84 HydrophobicContact CG2-CD2 4.01Å; I15-L84 HydrophobicContact CB-CD2 4.39Å; I15-L84 HydrophobicContact CD1-CD2 4.44Å; I15-L84 HydrophobicContact CG2-CD2 4.05Å; I15-L84 HydrophobicContact CG2-CG 4.15Å; Y80-L84 WeakPolarHBondContact O-CB 3.39Å; Y80-L84 PolarHBondContact O-N 3.46Å; T82-L84 VanDerWaalsContact C-N 3.31Å; T82-L84 PolarHBondContact O-N 3.28Å; L84-V87 PolarHBondContact O-N 2.97Å; L84-C88 VanDerWaalsContact O-CB 3.26Å; L84-C88 WeakPolarHBondContact O-CB 3.45Å; L84-C88 PolarHBondContact O-N 3.5Å; L84-C88 PolarHBondContact O-SG 3.47Å
85G96.6Very high92.9Very high0 Ų058.5 Ų58.50%029%0.289CS..Hα-helixtrans-60.1-46.717900000112.7T19 Y81 T82 I83 L89T19-G85 WeakPolarHBondContact CG2-O 3.36Å; Y81-G85 PolarHBondContact O-N 3.5Å; T82-G85 PolarHBondContact O-N 2.9Å; I83-G85 VanDerWaalsContact C-N 3.34Å; I83-G85 PolarHBondContact O-N 3.36Å; G85-L89 VanDerWaalsContact O-CB 3.26Å; G85-L89 WeakPolarHBondContact O-CB 3.37Å; G85-L89 PolarHBondContact O-N 2.9Å
86T94.5Very high93.4Very high34 Ų3460 Ų6021%0.20929%0.286CS..Hα-helixtrans-61.6-47.4176.4-58.60000111.5T82 I83 L89 S90 T134T82-T86 WeakPolarHBondContact O-CB 3.31Å; T82-T86 PolarHBondContact O-N 3.25Å; T82-T86 PolarHBondContact O-OG1 3.39Å; T82-T86 VanDerWaalsContact O-OG1 3.06Å; I83-T86 PolarHBondContact O-N 3.44Å; T86-L89 PolarHBondContact O-N 2.62Å; T86-S90 PolarHBondContact O-N 3.35Å; T86-S90 PolarHBondContact O-OG 3.14Å; T86-T134 VanDerWaalsContact OG1-C 3.29Å; T86-T134 PolarHBondContact OG1-O 3.38Å
87V96.1Very high93.8Very high82 Ų8257.7 Ų57.750%0.49728%0.278SS..Hα-helixtrans-64.5-47.1179172.40000111.1I83 L84 L89 S90 V91I83-V87 HydrophobicContact CG2-CG2 4.36Å; I83-V87 WeakPolarHBondContact O-CB 3.43Å; I83-V87 VanDerWaalsContact O-CG2 3.28Å; I83-V87 WeakPolarHBondContact O-CG2 3.34Å; I83-V87 PolarHBondContact O-N 3.02Å; L84-V87 PolarHBondContact O-N 2.97Å; V87-L89 PolarHBondContact O-N 3.01Å; V87-S90 PolarHBondContact O-N 3.18Å; V87-V91 HydrophobicContact CG1-CG2 4.43Å; V87-V91 WeakPolarHBondContact O-CG2 3.42Å; V87-V91 PolarHBondContact O-N 3.4Å
88C97.3Very high94.4Very high18 Ų1859.6 Ų59.612%0.12229%0.285CS..Hα-helixtrans-62-42.8178-73.30000111.8T19 L84 S90 V91 F92T19-C88 HydrophobicContact CG2-CB 4.18Å; T19-C88 VanDerWaalsContact OG1-CB 3.27Å; T19-C88 WeakPolarHBondContact OG1-CB 3.44Å; L84-C88 VanDerWaalsContact O-CB 3.26Å; L84-C88 WeakPolarHBondContact O-CB 3.45Å; L84-C88 PolarHBondContact O-N 3.5Å; L84-C88 PolarHBondContact O-SG 3.47Å; C88-S90 PolarHBondContact O-N 2.86Å; C88-V91 PolarHBondContact O-N 3.23Å; C88-F92 HydrophobicContact CB-CD2 4.3Å; C88-F92 HydrophobicContact CB-CE2 4.21Å; C88-F92 WeakPolarHBondContact O-CD2 3.05Å; C88-F92 PolarHBondContact O-N 3.2Å
89L95.5Very high94.8Very high18 Ų1862.5 Ų62.59%0.09430%0.299CS..Hα-helixtrans-57.7-49.2175178.360.1000110.7T19 Y22 A23 G85 T86 V87 V91 F92 L93 T134T19-L89 HydrophobicContact CG2-CB 4.29Å; Y22-L89 HydrophobicContact CD1-CD1 3.79Å; Y22-L89 HydrophobicContact CD1-CD2 4.12Å; Y22-L89 HydrophobicContact CE1-CD1 4.17Å; Y22-L89 HydrophobicContact CE1-CD2 3.83Å; Y22-L89 HydrophobicContact CG-CD1 4.39Å; A23-L89 HydrophobicContact CB-CD1 3.91Å; G85-L89 VanDerWaalsContact O-CB 3.26Å; G85-L89 WeakPolarHBondContact O-CB 3.37Å; G85-L89 PolarHBondContact O-N 2.9Å; T86-L89 PolarHBondContact O-N 2.62Å; V87-L89 PolarHBondContact O-N 3.01Å; L89-V91 VanDerWaalsContact C-N 3.34Å; L89-V91 PolarHBondContact O-N 3.05Å; L89-F92 PolarHBondContact O-N 3.16Å; L89-L93 HydrophobicContact CD1-CD1 4.26Å; L89-L93 HydrophobicContact CD1-CG 4.16Å; L89-L93 HydrophobicContact CG-CD1 4.14Å; L89-L93 HydrophobicContact CG-CG 4.46Å; L89-L93 WeakPolarHBondContact O-CB 3.47Å; L89-L93 VanDerWaalsContact O-CG 3.25Å; L89-L93 WeakPolarHBondContact O-CG 3.44Å; L89-L93 PolarHBondContact O-N 2.9Å; L89-T134 HydrophobicContact CD2-CG2 4.21Å
90S94Very high94.7Very high71 Ų7166.3 Ų66.350%0.49733%0.329SS..Hα-helixtrans-59.6-41.9177.1-60.70000112.9T86 V87 C88 W94T86-S90 PolarHBondContact O-N 3.35Å; T86-S90 PolarHBondContact O-OG 3.14Å; V87-S90 PolarHBondContact O-N 3.18Å; C88-S90 PolarHBondContact O-N 2.86Å; S90-W94 WeakPolarHBondContact O-CB 3.44Å; S90-W94 PolarHBondContact O-N 2.98Å
91V97.2Very high94.6Very high72 Ų7262.7 Ų62.744%0.43632%0.32SS..Hα-helixtrans-64.5-46.9177.1170.50000111.1V87 C88 L89 L93 W94 I95V87-V91 HydrophobicContact CG1-CG2 4.43Å; V87-V91 WeakPolarHBondContact O-CG2 3.42Å; V87-V91 PolarHBondContact O-N 3.4Å; C88-V91 PolarHBondContact O-N 3.23Å; L89-V91 VanDerWaalsContact C-N 3.34Å; L89-V91 PolarHBondContact O-N 3.05Å; V91-L93 PolarHBondContact O-N 3.23Å; V91-W94 WeakPolarHBondContact O-CB 3.07Å; V91-W94 PolarHBondContact O-N 3.31Å; V91-I95 HydrophobicContact CG1-CD1 3.93Å; V91-I95 HydrophobicContact CG1-CG1 4.48Å; V91-I95 WeakPolarHBondContact O-CG1 3.4Å; V91-I95 PolarHBondContact O-N 3.29Å
92F97.6Very high94.2Very high38 Ų3870.7 Ų70.717%0.16736%0.358CS..Hα-helixtrans-68.4-34.7179.7-73.3-60.6000112.7V16 A20 A23 C88 L89 W94 I95 W96V16-F92 HydrophobicContact CG1-CE2 3.9Å; V16-F92 HydrophobicContact CG1-CZ 3.8Å; V16-F92 VanDerWaalsContact O-CE2 3.23Å; V16-F92 WeakPolarHBondContact O-CE2 3.47Å; A20-F92 HydrophobicContact CB-CD1 3.82Å; A20-F92 HydrophobicContact CB-CD2 3.78Å; A20-F92 HydrophobicContact CB-CE1 3.75Å; A20-F92 HydrophobicContact CB-CE2 3.72Å; A20-F92 HydrophobicContact CB-CG 3.86Å; A20-F92 HydrophobicContact CB-CZ 3.71Å; A23-F92 HydrophobicContact CB-CB 3.52Å; C88-F92 HydrophobicContact CB-CD2 4.3Å; C88-F92 HydrophobicContact CB-CE2 4.21Å; C88-F92 WeakPolarHBondContact O-CD2 3.05Å; C88-F92 PolarHBondContact O-N 3.2Å; L89-F92 PolarHBondContact O-N 3.16Å; F92-W94 VanDerWaalsContact C-N 3.34Å; F92-I95 HydrophobicContact CD1-CD1 4.09Å; F92-I95 HydrophobicContact CE1-CD1 4.41Å; F92-I95 PolarHBondContact O-N 3.24Å; F92-W96 WeakPolarHBondContact O-CB 3.47Å; F92-W96 VanDerWaalsContact O-CG 3.29Å; F92-W96 PolarHBondContact O-N 2.96Å
93L94.2Very high93.8Very high35 Ų3573.1 Ų73.118%0.18337%0.37CS..Hα-helixtrans-58.8-47.4169.5-72.6176000111A23 L26 V27 L89 V91 I95 W96 Q97A23-L93 HydrophobicContact CB-CD2 3.96Å; A23-L93 HydrophobicContact CB-CG 4.17Å; L26-L93 HydrophobicContact CB-CD2 4.16Å; L26-L93 HydrophobicContact CD1-CD2 4.13Å; L26-L93 HydrophobicContact CD2-CD2 3.79Å; L26-L93 HydrophobicContact CG-CD2 4.26Å; V27-L93 HydrophobicContact CG2-CD2 3.68Å; L89-L93 HydrophobicContact CD1-CD1 4.26Å; L89-L93 HydrophobicContact CD1-CG 4.16Å; L89-L93 HydrophobicContact CG-CD1 4.14Å; L89-L93 HydrophobicContact CG-CG 4.46Å; L89-L93 WeakPolarHBondContact O-CB 3.47Å; L89-L93 VanDerWaalsContact O-CG 3.25Å; L89-L93 WeakPolarHBondContact O-CG 3.44Å; L89-L93 PolarHBondContact O-N 2.9Å; V91-L93 PolarHBondContact O-N 3.23Å; L93-I95 VanDerWaalsContact C-N 3.29Å; L93-I95 PolarHBondContact O-N 2.94Å; L93-W96 PolarHBondContact O-N 2.88Å; L93-Q97 WeakPolarHBondContact O-CB 3.39Å; L93-Q97 WeakPolarHBondContact O-CG 3.41Å; L93-Q97 PolarHBondContact O-N 2.77Å
94W94.5Very high93.1Very high148 Ų14875.5 Ų75.556%0.56138%0.383SS*.Hα-helixtrans-60.1-37176.8178.6100.5000112.7S90 V91 F92 R98S90-W94 WeakPolarHBondContact O-CB 3.44Å; S90-W94 PolarHBondContact O-N 2.98Å; V91-W94 WeakPolarHBondContact O-CB 3.07Å; V91-W94 PolarHBondContact O-N 3.31Å; F92-W94 VanDerWaalsContact C-N 3.34Å; W94-R98 VanDerWaalsContact CD2-NH1 3.31Å; W94-R98 PolarHBondContact O-NH1 3.45Å
95I96.9Very high92.5Very high55 Ų5575 Ų7528%0.28238%0.381SS..Hα-helixtrans-69.2-55.1175.6-67.4170.3000110.6V91 F92 L93 Q97 R98 I99V91-I95 HydrophobicContact CG1-CD1 3.93Å; V91-I95 HydrophobicContact CG1-CG1 4.48Å; V91-I95 WeakPolarHBondContact O-CG1 3.4Å; V91-I95 PolarHBondContact O-N 3.29Å; F92-I95 HydrophobicContact CD1-CD1 4.09Å; F92-I95 HydrophobicContact CE1-CD1 4.41Å; F92-I95 PolarHBondContact O-N 3.24Å; L93-I95 VanDerWaalsContact C-N 3.29Å; L93-I95 PolarHBondContact O-N 2.94Å; I95-Q97 VanDerWaalsContact C-N 3.32Å; I95-Q97 PolarHBondContact O-N 3.27Å; I95-R98 PolarHBondContact O-N 2.59Å; I95-I99 HydrophobicContact CG2-CD1 3.8Å; I95-I99 PolarHBondContact O-N 2.88Å
96W94.7Very high91.8Very high60 Ų6081.6 Ų81.623%0.22742%0.416CS..Hα-helixtrans-66.9-31.3-173.7-63.3135.4000112.9A20 F24 V27 Y28 F92 L93 R98 I99A20-W96 PolarHBondContact O-NE1 3.08Å; A20-W96 VanDerWaalsContact O-NE1 3.09Å; F24-W96 HydrophobicContact CD2-CD2 4.39Å; V27-W96 HydrophobicContact CB-CB 4.12Å; V27-W96 HydrophobicContact CG1-CB 4.26Å; V27-W96 HydrophobicContact CG2-CB 3.96Å; Y28-W96 HydrophobicContact CE2-CB 4Å; Y28-W96 HydrophobicContact CE2-CD2 4.36Å; Y28-W96 HydrophobicContact CE2-CE3 4.19Å; Y28-W96 HydrophobicContact CE2-CG 4.29Å; Y28-W96 PolarHBondContact OH-O 2.91Å; Y28-W96 VanDerWaalsContact OH-O 3.05Å; F92-W96 WeakPolarHBondContact O-CB 3.47Å; F92-W96 VanDerWaalsContact O-CG 3.29Å; F92-W96 PolarHBondContact O-N 2.96Å; L93-W96 PolarHBondContact O-N 2.88Å; W96-R98 PolarHBondContact O-N 2.91Å; W96-I99 HydrophobicContact CE3-CD1 3.54Å; W96-I99 HydrophobicContact CZ3-CD1 3.52Å; W96-I99 PolarHBondContact O-N 3.14Å
97Q93Very high91Very high119 Ų11987.8 Ų87.856%0.55644%0.442SS*.THydrogen-bonded Turntrans-65-19.1173.6-75.5176.9-24.300114V27 L93 I95V27-Q97 HydrophobicContact CG1-CG 4.23Å; V27-Q97 HydrophobicContact CG2-CG 3.91Å; L93-Q97 WeakPolarHBondContact O-CB 3.39Å; L93-Q97 WeakPolarHBondContact O-CG 3.41Å; L93-Q97 PolarHBondContact O-N 2.77Å; I95-Q97 VanDerWaalsContact C-N 3.32Å; I95-Q97 PolarHBondContact O-N 3.27Å
98R94.2Very high90.8Very high146 Ų14686.9 Ų86.955%0.55144%0.435SS*.THydrogen-bonded Turntrans-98.6-13.3179.7-74.4176.6175.969.43.2113.8W94 I95 W96 P100W94-R98 VanDerWaalsContact CD2-NH1 3.31Å; W94-R98 PolarHBondContact O-NH1 3.45Å; I95-R98 PolarHBondContact O-N 2.59Å; W96-R98 PolarHBondContact O-N 2.91Å; R98-P100 WeakPolarHBondContact O-CD 3.48Å
99I93.9Very high90.6Very high73 Ų7387.4 Ų87.437%0.37444%0.436SS..SBendtrans-86.8117.7177.8-68.9168.4000106.9Y28 I95 W96 L101Y28-I99 WeakPolarHBondContact OH-CB 3.46Å; Y28-I99 WeakPolarHBondContact OH-CG2 3.3Å; Y28-I99 PolarHBondContact OH-O 2.75Å; Y28-I99 VanDerWaalsContact OH-O 3.09Å; I95-I99 HydrophobicContact CG2-CD1 3.8Å; I95-I99 PolarHBondContact O-N 2.88Å; W96-I99 HydrophobicContact CE3-CD1 3.54Å; W96-I99 HydrophobicContact CZ3-CD1 3.52Å; W96-I99 PolarHBondContact O-N 3.14Å; I99-L101 HydrophobicContact CG2-CB 4.23Å; I99-L101 PolarHBondContact O-N 3.15Å
100P87.9Confident90.5Very high132 Ų13291.8 Ų91.886%0.85745%0.454SS*.  trans-78.969.5-175.733.5-36000110.2R98R98-P100 WeakPolarHBondContact O-CD 3.48Å
101L90.3Very high90.6Very high75 Ų7592 Ų9239%0.39345%0.45SS..  trans-106.3132.1173.7-178.4151.3000108.6Y28 I99 I103Y28-L101 HydrophobicContact CD1-CB 4.32Å; Y28-L101 HydrophobicContact CD1-CD2 3.72Å; Y28-L101 WeakPolarHBondContact CD1-O 3.19Å; Y28-L101 HydrophobicContact CD2-CD2 4.15Å; Y28-L101 HydrophobicContact CE1-CB 3.62Å; Y28-L101 HydrophobicContact CE1-CD2 3.85Å; Y28-L101 HydrophobicContact CE1-CG 4.35Å; Y28-L101 WeakPolarHBondContact CE1-O 3.49Å; Y28-L101 HydrophobicContact CE2-CD2 4.26Å; Y28-L101 HydrophobicContact CG-CD2 3.86Å; I99-L101 HydrophobicContact CG2-CB 4.23Å; I99-L101 PolarHBondContact O-N 3.15Å; L101-I103 HydrophobicContact CD2-CD1 4.06Å; L101-I103 HydrophobicContact CD2-CG1 3.46Å; L101-I103 VanDerWaalsContact CD2-CG1 3.46Å
102Q83.8Confident90.5Very high188 Ų18888.6 Ų88.688%0.87943%0.429SS*.  trans-122.2121175.4-69.1-173.6-17.800108.5
103I85.3Confident90.4Very high56 Ų5686.8 Ų86.829%0.28742%0.421SS..  trans-94.698172.2-51.4-178.3000106.2F24 Y28 L29 L101 L105F24-I103 HydrophobicContact CE1-CD1 4Å; F24-I103 HydrophobicContact CZ-CD1 3.92Å; Y28-I103 HydrophobicContact CG-CD1 4.5Å; L29-I103 HydrophobicContact CD2-CD1 4.08Å; L101-I103 HydrophobicContact CD2-CD1 4.06Å; L101-I103 HydrophobicContact CD2-CG1 3.46Å; L101-I103 VanDerWaalsContact CD2-CG1 3.46Å; I103-L105 HydrophobicContact CG2-CD1 4.14Å; I103-L105 HydrophobicContact CG2-CD2 4.08Å; I103-L105 HydrophobicContact CG2-CG 3.85Å; I103-L105 PolarHBondContact O-N 3.4Å
104N81Confident90.5Very high117 Ų11787.7 Ų87.763%0.62643%0.425SS*.  trans-82.7110.8173.7-170.93.3000109D106N104-D106 PolarHBondContact OD1-N 3.48Å
105L83.5Confident90.6Very high39 Ų3983.2 Ų83.220%0.20441%0.412CS..  trans-107.932.5175.7-65170.5000111.1L29 I103 H107 D108 I111 V112 L115L29-L105 HydrophobicContact CD2-CD1 4.14Å; I103-L105 HydrophobicContact CG2-CD1 4.14Å; I103-L105 HydrophobicContact CG2-CD2 4.08Å; I103-L105 HydrophobicContact CG2-CG 3.85Å; I103-L105 PolarHBondContact O-N 3.4Å; L105-H107 PolarHBondContact O-N 3.45Å; L105-D108 WeakPolarHBondContact O-CB 3.37Å; L105-D108 PolarHBondContact O-N 3.2Å; L105-I111 HydrophobicContact CD1-CG2 4.35Å; L105-I111 HydrophobicContact CD2-CG2 4.38Å; L105-V112 HydrophobicContact CB-CG2 4.02Å; L105-V112 HydrophobicContact CD1-CB 4.38Å; L105-V112 HydrophobicContact CD1-CG2 3.62Å; L105-V112 HydrophobicContact CG-CG2 4.43Å; L105-L115 HydrophobicContact CD1-CD1 3.77Å; L105-L115 HydrophobicContact CD2-CD1 4.36Å
106D82.7Confident90.5Very high138 Ų13880.6 Ų80.674%0.73840%0.398SS*.THydrogen-bonded Turntrans52.631.3177.8-61.6-40.9000114.2N104 D108N104-D106 PolarHBondContact OD1-N 3.48Å; D106-D108 PolarHBondContact O-N 3.2Å
107H78.4Confident90.6Very high163 Ų16377.7 Ų77.776%0.75539%0.388SS*.THydrogen-bonded Turntrans60.118.9-176-53.974.7000114.7L105 L109L105-H107 PolarHBondContact O-N 3.45Å; H107-L109 PolarHBondContact O-N 3.14Å
108D92.1Very high90.8Very high64 Ų6474.8 Ų74.834%0.34238%0.376SS..  trans-75.789.2172.4-168.6-23.4000110.4L105 D106 F110 I111 V112L105-D108 WeakPolarHBondContact O-CB 3.37Å; L105-D108 PolarHBondContact O-N 3.2Å; D106-D108 PolarHBondContact O-N 3.2Å; D108-F110 PolarHBondContact O-N 3.06Å; D108-F110 VanDerWaalsContact O-N 3.15Å; D108-F110 WeakPolarHBondContact OD1-CA 3.46Å; D108-F110 VanDerWaalsContact OD1-CB 3.24Å; D108-F110 WeakPolarHBondContact OD1-CB 3.15Å; D108-F110 PolarHBondContact OD1-N 3.46Å; D108-I111 HydrophobicContact CB-CB 4.31Å; D108-I111 HydrophobicContact CB-CD1 4.08Å; D108-I111 HydrophobicContact CB-CG1 4.24Å; D108-I111 PolarHBondContact O-N 2.92Å; D108-I111 PolarHBondContact OD1-N 3.3Å; D108-I111 WeakPolarHBondContact OD2-CD1 3.27Å; D108-I111 WeakPolarHBondContact OD2-CG1 3.42Å; D108-V112 VanDerWaalsContact O-CG2 3.25Å; D108-V112 WeakPolarHBondContact O-CG2 3.35Å; D108-V112 PolarHBondContact O-N 2.88Å
109L91.4Very high90.9Very high29 Ų2971.2 Ų71.215%0.15236%0.364CS..Hα-helixtrans-58.8-24.1177.4-68.1177.4000112.9N33 L35 H107 S113 Y178N33-L109 HydrophobicContact CB-CD2 4.07Å; L35-L109 HydrophobicContact CD2-CD2 4.4Å; H107-L109 PolarHBondContact O-N 3.14Å; L109-S113 VanDerWaalsContact O-CB 3.29Å; L109-S113 WeakPolarHBondContact O-CB 3.23Å; L109-S113 PolarHBondContact O-N 3.32Å; L109-S113 PolarHBondContact O-OG 3.03Å; L109-S113 VanDerWaalsContact O-OG 3.04Å; L109-Y178 HydrophobicContact CB-CD1 3.79Å; L109-Y178 HydrophobicContact CB-CD2 3.82Å; L109-Y178 HydrophobicContact CB-CE1 3.7Å; L109-Y178 HydrophobicContact CB-CE2 3.73Å; L109-Y178 HydrophobicContact CB-CG 3.87Å; L109-Y178 HydrophobicContact CD1-CD2 3.75Å; L109-Y178 HydrophobicContact CD1-CE2 3.73Å; L109-Y178 HydrophobicContact CG-CD2 4.44Å; L109-Y178 HydrophobicContact CG-CE2 4.4Å; L109-Y178 WeakPolarHBondContact O-CD1 3.41Å
110F94.7Very high91Very high109 Ų10967.9 Ų67.948%0.47835%0.348SS..Hα-helixtrans-69.8-49.8177-178.1-103.8000110.6D108 V112 S113 I114 Y178 I181D108-F110 PolarHBondContact O-N 3.06Å; D108-F110 VanDerWaalsContact O-N 3.15Å; D108-F110 WeakPolarHBondContact OD1-CA 3.46Å; D108-F110 VanDerWaalsContact OD1-CB 3.24Å; D108-F110 WeakPolarHBondContact OD1-CB 3.15Å; D108-F110 PolarHBondContact OD1-N 3.46Å; F110-V112 VanDerWaalsContact C-N 3.32Å; F110-V112 PolarHBondContact O-N 3.41Å; F110-S113 PolarHBondContact O-N 2.98Å; F110-I114 HydrophobicContact CE1-CG1 4.17Å; F110-I114 HydrophobicContact CE2-CD1 4.41Å; F110-I114 HydrophobicContact CZ-CD1 4.21Å; F110-I114 HydrophobicContact CZ-CG1 4.17Å; F110-I114 WeakPolarHBondContact O-CG1 3.25Å; F110-I114 PolarHBondContact O-N 3.3Å; F110-Y178 HydrophobicContact CB-CE1 4Å; F110-I181 HydrophobicContact CD2-CD1 4.09Å; F110-I181 HydrophobicContact CE2-CD1 4.25Å
111I95.5Very high91.4Very high77 Ų7761.6 Ų61.640%0.39531%0.307SS..Hα-helixtrans-60.8-44.9176.3-63.9174.7000110.2L105 D108 S113 I114 L115L105-I111 HydrophobicContact CD1-CG2 4.35Å; L105-I111 HydrophobicContact CD2-CG2 4.38Å; D108-I111 HydrophobicContact CB-CB 4.31Å; D108-I111 HydrophobicContact CB-CD1 4.08Å; D108-I111 HydrophobicContact CB-CG1 4.24Å; D108-I111 PolarHBondContact O-N 2.92Å; D108-I111 PolarHBondContact OD1-N 3.3Å; D108-I111 WeakPolarHBondContact OD2-CD1 3.27Å; D108-I111 WeakPolarHBondContact OD2-CG1 3.42Å; I111-S113 VanDerWaalsContact C-N 3.32Å; I111-S113 PolarHBondContact O-N 3.22Å; I111-I114 PolarHBondContact O-N 3.33Å; I111-L115 HydrophobicContact CG2-CD1 3.89Å; I111-L115 HydrophobicContact CG2-CG 4.34Å; I111-L115 WeakPolarHBondContact O-CB 3.34Å; I111-L115 WeakPolarHBondContact O-CG 3.38Å; I111-L115 PolarHBondContact O-N 3.09Å
112V94.8Very high91.7Very high0 Ų062.9 Ų62.90%031%0.31CS..Hα-helixtrans-56-47.5175.8177.70000110.4L29 N33 L35 L105 D108 F110 I114 L115 A116L29-V112 HydrophobicContact CB-CG1 4.18Å; N33-V112 HydrophobicContact CB-CG1 3.86Å; N33-V112 WeakPolarHBondContact ND2-CG1 3.25Å; L35-V112 HydrophobicContact CD1-CG1 3.74Å; L105-V112 HydrophobicContact CB-CG2 4.02Å; L105-V112 HydrophobicContact CD1-CB 4.38Å; L105-V112 HydrophobicContact CD1-CG2 3.62Å; L105-V112 HydrophobicContact CG-CG2 4.43Å; D108-V112 VanDerWaalsContact O-CG2 3.25Å; D108-V112 WeakPolarHBondContact O-CG2 3.35Å; D108-V112 PolarHBondContact O-N 2.88Å; F110-V112 VanDerWaalsContact C-N 3.32Å; F110-V112 PolarHBondContact O-N 3.41Å; V112-I114 PolarHBondContact O-N 2.83Å; V112-L115 PolarHBondContact O-N 3.44Å; V112-A116 WeakPolarHBondContact O-CB 3.3Å; V112-A116 PolarHBondContact O-N 2.8Å
113S94.9Very high92.3Very high0 Ų054 Ų540%027%0.268CS..Hα-helixtrans-62.4-43-179.8-77.50000113L109 F110 I111 A116 G117 Y178 V182L109-S113 VanDerWaalsContact O-CB 3.29Å; L109-S113 WeakPolarHBondContact O-CB 3.23Å; L109-S113 PolarHBondContact O-N 3.32Å; L109-S113 PolarHBondContact O-OG 3.03Å; L109-S113 VanDerWaalsContact O-OG 3.04Å; F110-S113 PolarHBondContact O-N 2.98Å; I111-S113 VanDerWaalsContact C-N 3.32Å; I111-S113 PolarHBondContact O-N 3.22Å; S113-A116 PolarHBondContact O-N 3.29Å; S113-G117 PolarHBondContact O-N 3.4Å; S113-Y178 WeakPolarHBondContact OG-CB 3.4Å; S113-Y178 PolarHBondContact OG-O 3.4Å; S113-V182 WeakPolarHBondContact O-CG2 3.47Å
114I97.1Very high92.8Very high54 Ų5451.3 Ų51.328%0.27725%0.254SS..Hα-helixtrans-62.9-47.9176.7-62.8-58.8000110.1F110 I111 V112 G117 L118 I181 V185F110-I114 HydrophobicContact CE1-CG1 4.17Å; F110-I114 HydrophobicContact CE2-CD1 4.41Å; F110-I114 HydrophobicContact CZ-CD1 4.21Å; F110-I114 HydrophobicContact CZ-CG1 4.17Å; F110-I114 WeakPolarHBondContact O-CG1 3.25Å; F110-I114 PolarHBondContact O-N 3.3Å; I111-I114 PolarHBondContact O-N 3.33Å; V112-I114 PolarHBondContact O-N 2.83Å; I114-G117 PolarHBondContact O-N 3.41Å; I114-L118 HydrophobicContact CG2-CD1 3.93Å; I114-L118 HydrophobicContact CG2-CG 4.46Å; I114-L118 WeakPolarHBondContact O-CB 3.36Å; I114-L118 VanDerWaalsContact O-CG 3.26Å; I114-L118 WeakPolarHBondContact O-CG 3.29Å; I114-L118 PolarHBondContact O-N 2.89Å; I114-I181 HydrophobicContact CD1-CG2 3.77Å; I114-V185 HydrophobicContact CD1-CG2 3.69Å
115L96.6Very high93.4Very high53 Ų5345.7 Ų45.728%0.27722%0.224SC..Hα-helixtrans-63.7-43.6178.7-69.6175.9000111.7L29 L105 I111 V112 G117 L118 F119L29-L115 HydrophobicContact CD1-CB 3.76Å; L29-L115 HydrophobicContact CD2-CB 4.5Å; L105-L115 HydrophobicContact CD1-CD1 3.77Å; L105-L115 HydrophobicContact CD2-CD1 4.36Å; I111-L115 HydrophobicContact CG2-CD1 3.89Å; I111-L115 HydrophobicContact CG2-CG 4.34Å; I111-L115 WeakPolarHBondContact O-CB 3.34Å; I111-L115 WeakPolarHBondContact O-CG 3.38Å; I111-L115 PolarHBondContact O-N 3.09Å; V112-L115 PolarHBondContact O-N 3.44Å; L115-G117 VanDerWaalsContact C-N 3.33Å; L115-G117 PolarHBondContact O-N 3.42Å; L115-L118 HydrophobicContact CD2-CD1 4.42Å; L115-L118 WeakPolarHBondContact O-CB 3.47Å; L115-L118 PolarHBondContact O-N 3.06Å; L115-L118 VanDerWaalsContact O-N 3.16Å; L115-F119 WeakPolarHBondContact O-CD2 3.2Å; L115-F119 PolarHBondContact O-N 3.04Å
116A95.3Very high94Very high0 Ų045 Ų450%022%0.221CC..Hα-helixtrans-59.8-45.5178.200000111L29 L35 V112 S113 L118 F119 A120 V182L29-A116 HydrophobicContact CB-CB 3.85Å; L29-A116 HydrophobicContact CD1-CB 4.32Å; L35-A116 HydrophobicContact CD1-CB 4.5Å; V112-A116 WeakPolarHBondContact O-CB 3.3Å; V112-A116 PolarHBondContact O-N 2.8Å; S113-A116 PolarHBondContact O-N 3.29Å; A116-L118 VanDerWaalsContact C-N 3.34Å; A116-L118 PolarHBondContact O-N 2.95Å; A116-F119 PolarHBondContact O-N 2.9Å; A116-A120 VanDerWaalsContact O-CB 3.22Å; A116-A120 WeakPolarHBondContact O-CB 3.36Å; A116-A120 PolarHBondContact O-N 3.31Å; A116-V182 HydrophobicContact CB-CG1 4.18Å; A116-V182 HydrophobicContact CB-CG2 3.94Å
117G96.2Very high94.5Very high0 Ų038.5 Ų38.50%019%0.186CC..Hα-helixtrans-63.4-38.2175.300000112.9S113 I114 L115 G121 F186S113-G117 PolarHBondContact O-N 3.4Å; I114-G117 PolarHBondContact O-N 3.41Å; L115-G117 VanDerWaalsContact C-N 3.33Å; L115-G117 PolarHBondContact O-N 3.42Å; G117-G121 WeakPolarHBondContact O-CA 3.13Å; G117-G121 PolarHBondContact O-N 2.96Å; G117-F186 WeakPolarHBondContact O-CA 3.28Å
118L97.6Very high95.2Very high58 Ų5830.7 Ų30.730%0.30415%0.15SC..Hα-helixtrans-64.9-54.2174.8-72.7168.1000111.4I114 L115 A116 A120 G121 F122 V185 V189I114-L118 HydrophobicContact CG2-CD1 3.93Å; I114-L118 HydrophobicContact CG2-CG 4.46Å; I114-L118 WeakPolarHBondContact O-CB 3.36Å; I114-L118 VanDerWaalsContact O-CG 3.26Å; I114-L118 WeakPolarHBondContact O-CG 3.29Å; I114-L118 PolarHBondContact O-N 2.89Å; L115-L118 HydrophobicContact CD2-CD1 4.42Å; L115-L118 WeakPolarHBondContact O-CB 3.47Å; L115-L118 PolarHBondContact O-N 3.06Å; L115-L118 VanDerWaalsContact O-N 3.16Å; A116-L118 VanDerWaalsContact C-N 3.34Å; A116-L118 PolarHBondContact O-N 2.95Å; L118-A120 PolarHBondContact O-N 3.44Å; L118-G121 PolarHBondContact O-N 3.42Å; L118-F122 HydrophobicContact CB-CD2 4.47Å; L118-F122 HydrophobicContact CD2-CE2 4.13Å; L118-F122 WeakPolarHBondContact O-CB 3.44Å; L118-F122 VanDerWaalsContact O-CD2 3.24Å; L118-F122 WeakPolarHBondContact O-CD2 3.45Å; L118-F122 PolarHBondContact O-N 2.99Å; L118-V185 HydrophobicContact CD2-CG1 4.23Å; L118-V185 HydrophobicContact CG-CG1 4.06Å; L118-V189 HydrophobicContact CD2-CG2 3.85Å
119F96.7Very high95Very high70 Ų7032.9 Ų32.931%0.30715%0.153SC..Hα-helixtrans-60.9-46.3-179.2-87.3-90.1000112I21 F24 L29 L115 A116 G123I21-F119 HydrophobicContact CG2-CD1 3.87Å; F24-F119 AromaticContact CD1-CD1 3.75Å; F24-F119 HydrophobicContact CD1-CD1 3.75Å; F24-F119 AromaticContact CD1-CE1 3.52Å; F24-F119 HydrophobicContact CD1-CE1 3.52Å; F24-F119 HydrophobicContact CD1-CZ 4.13Å; F24-F119 HydrophobicContact CE1-CD1 4.37Å; F24-F119 AromaticContact CE1-CE1 3.78Å; F24-F119 HydrophobicContact CE1-CE1 3.78Å; F24-F119 AromaticContact CE1-CZ 3.93Å; F24-F119 HydrophobicContact CE1-CZ 3.93Å; L29-F119 HydrophobicContact CD1-CB 4.48Å; L29-F119 HydrophobicContact CD1-CD2 3.72Å; L29-F119 HydrophobicContact CD1-CE2 4.31Å; L29-F119 HydrophobicContact CD1-CG 4.3Å; L115-F119 WeakPolarHBondContact O-CD2 3.2Å; L115-F119 PolarHBondContact O-N 3.04Å; A116-F119 PolarHBondContact O-N 2.9Å; F119-G123 PolarHBondContact O-N 3.2Å
120A95.4Very high94.8Very high4 Ų432.3 Ų32.33%0.03315%0.15CC..Hα-helixtrans-62.3-45.4175.800000111.2Y22 A116 L118 G123 S124 F186Y22-A120 HydrophobicContact CD2-CB 3.63Å; Y22-A120 HydrophobicContact CE2-CB 3.73Å; A116-A120 VanDerWaalsContact O-CB 3.22Å; A116-A120 WeakPolarHBondContact O-CB 3.36Å; A116-A120 PolarHBondContact O-N 3.31Å; L118-A120 PolarHBondContact O-N 3.44Å; A120-G123 PolarHBondContact O-N 2.96Å; A120-S124 VanDerWaalsContact O-CB 3.25Å; A120-S124 WeakPolarHBondContact O-CB 3.13Å; A120-S124 PolarHBondContact O-N 3.04Å; A120-S124 PolarHBondContact O-OG 2.75Å; A120-F186 HydrophobicContact CB-CD2 3.69Å; A120-F186 HydrophobicContact CB-CE2 4.18Å
121G96Very high94.4Very high0 Ų027.5 Ų27.50%013%0.132CC..Hα-helixtrans-67.1-41-177.600000112.5G117 L118 G125G117-G121 WeakPolarHBondContact O-CA 3.13Å; G117-G121 PolarHBondContact O-N 2.96Å; L118-G121 PolarHBondContact O-N 3.42Å; G121-G125 VanDerWaalsContact O-CA 3.29Å; G121-G125 WeakPolarHBondContact O-CA 3.26Å; G121-G125 PolarHBondContact O-N 3.4Å
122F96.9Very high94.1Very high102 Ų10223.9 Ų23.945%0.44711%0.113SC..Hα-helixtrans-65.9-48.2175.6-90.2-76.8000111.5I21 L118 L126 V189 L193I21-F122 HydrophobicContact CG2-CB 4.49Å; L118-F122 HydrophobicContact CB-CD2 4.47Å; L118-F122 HydrophobicContact CD2-CE2 4.13Å; L118-F122 WeakPolarHBondContact O-CB 3.44Å; L118-F122 VanDerWaalsContact O-CD2 3.24Å; L118-F122 WeakPolarHBondContact O-CD2 3.45Å; L118-F122 PolarHBondContact O-N 2.99Å; F122-L126 VanDerWaalsContact O-CG 3.32Å; F122-L126 WeakPolarHBondContact O-CG 3.32Å; F122-L126 PolarHBondContact O-N 3.49Å; F122-L126 VanDerWaalsContact O-N 3.1Å; F122-V189 HydrophobicContact CD2-CG1 3.79Å; F122-V189 HydrophobicContact CE2-CG1 4.06Å; F122-V189 HydrophobicContact CG-CG1 4.03Å; F122-L193 HydrophobicContact CB-CD1 4.33Å; F122-L193 HydrophobicContact CD1-CD1 3.57Å; F122-L193 HydrophobicContact CD1-CD2 4.45Å; F122-L193 HydrophobicContact CE1-CD1 4.08Å; F122-L193 HydrophobicContact CE1-CD2 4.34Å; F122-L193 HydrophobicContact CG-CD1 4.08Å
123G96.8Very high94.1Very high0 Ų023.9 Ų23.90%011%0.113CC..Hα-helixtrans-60.9-57.4179.400000112G18 F119 A120 G125 L126 V127G18-G123 CarbonylContact C-O 3.48Å; G18-G123 VanDerWaalsContact CA-O 3.26Å; G18-G123 WeakPolarHBondContact CA-O 3.36Å; G18-G123 CarbonylContact O-C 3.6Å; G18-G123 WeakPolarHBondContact O-CA 3.41Å; F119-G123 PolarHBondContact O-N 3.2Å; A120-G123 PolarHBondContact O-N 2.96Å; G123-G125 PolarHBondContact O-N 3.35Å; G123-L126 PolarHBondContact O-N 3.35Å; G123-V127 WeakPolarHBondContact O-CG2 3.19Å; G123-V127 PolarHBondContact O-N 2.89Å
124S95.5Very high93.9Very high0 Ų024.6 Ų24.60%012%0.117CC..Hα-helixtrans-66.8-37.8-179.8-630000112.7Y22 A120 L126 V127 Y128Y22-S124 WeakPolarHBondContact CD1-OG 3.4Å; A120-S124 VanDerWaalsContact O-CB 3.25Å; A120-S124 WeakPolarHBondContact O-CB 3.13Å; A120-S124 PolarHBondContact O-N 3.04Å; A120-S124 PolarHBondContact O-OG 2.75Å; S124-L126 VanDerWaalsContact C-N 3.3Å; S124-L126 PolarHBondContact O-N 3.02Å; S124-V127 WeakPolarHBondContact O-CA 3Å; S124-V127 WeakPolarHBondContact O-CB 3.49Å; S124-V127 PolarHBondContact O-N 3.5Å; S124-Y128 WeakPolarHBondContact CB-OH 3.4Å; S124-Y128 VanDerWaalsContact O-CD1 3.28Å; S124-Y128 WeakPolarHBondContact O-CD1 3.42Å; S124-Y128 PolarHBondContact O-N 2.97Å
125G94.5Very high93.5Very high0 Ų022.3 Ų22.30%011%0.107CC..Hα-helixtrans-58.7-3917500000112.9G121 G123 R129G121-G125 VanDerWaalsContact O-CA 3.29Å; G121-G125 WeakPolarHBondContact O-CA 3.26Å; G121-G125 PolarHBondContact O-N 3.4Å; G123-G125 PolarHBondContact O-N 3.35Å; G125-R129 VanDerWaalsContact O-CB 3.23Å; G125-R129 WeakPolarHBondContact O-CB 3.41Å; G125-R129 PolarHBondContact O-N 2.87Å
126L94.4Very high93.2Very high25 Ų2520 Ų2013%0.13110%0.096CC..Hα-helixtrans-64.6-41.1172.3-74.2174.4000112.2F14 I21 F122 G123 S124 N130F14-L126 HydrophobicContact CD1-CD2 4.01Å; F14-L126 HydrophobicContact CE1-CD2 4.36Å; I21-L126 HydrophobicContact CD1-CD1 4.16Å; F122-L126 VanDerWaalsContact O-CG 3.32Å; F122-L126 WeakPolarHBondContact O-CG 3.32Å; F122-L126 PolarHBondContact O-N 3.49Å; F122-L126 VanDerWaalsContact O-N 3.1Å; G123-L126 PolarHBondContact O-N 3.35Å; S124-L126 VanDerWaalsContact C-N 3.3Å; S124-L126 PolarHBondContact O-N 3.02Å; L126-N130 PolarHBondContact O-N 3.44Å; L126-N130 PolarHBondContact O-ND2 3.32Å
127V94.8Very high93Very high0 Ų020.3 Ų20.30%010%0.098CC..Hα-helixtrans-62.8-50.4177.1176.90000110.4I15 T19 G123 S124 R129 N130 G131 G132 T134I15-V127 HydrophobicContact CG1-CG1 4.44Å; I15-V127 HydrophobicContact CG2-CG1 4.37Å; T19-V127 HydrophobicContact CG2-CG2 3.85Å; G123-V127 WeakPolarHBondContact O-CG2 3.19Å; G123-V127 PolarHBondContact O-N 2.89Å; S124-V127 WeakPolarHBondContact O-CA 3Å; S124-V127 WeakPolarHBondContact O-CB 3.49Å; S124-V127 PolarHBondContact O-N 3.5Å; V127-R129 PolarHBondContact O-N 3.46Å; V127-N130 PolarHBondContact O-N 2.81Å; V127-N130 VanDerWaalsContact O-N 3.15Å; V127-G131 PolarHBondContact O-N 3.19Å; V127-G132 PolarHBondContact O-N 3.14Å; V127-G132 VanDerWaalsContact O-N 3.16Å; V127-T134 HydrophobicContact CG1-CG2 4.47Å
128Y92Very high92.9Very high0 Ų021 Ų210%010%0.102CC..Hα-helixtrans-65.2-41.5-176.6-56.4-14000112.1S124 N130 G131 G132 T133 D138 M152 L156 F186 V190S124-Y128 WeakPolarHBondContact CB-OH 3.4Å; S124-Y128 VanDerWaalsContact O-CD1 3.28Å; S124-Y128 WeakPolarHBondContact O-CD1 3.42Å; S124-Y128 PolarHBondContact O-N 2.97Å; Y128-N130 PolarHBondContact O-N 3.05Å; Y128-N130 VanDerWaalsContact O-N 3.16Å; Y128-G131 PolarHBondContact O-N 3.15Å; Y128-G132 WeakPolarHBondContact CA-O 3.25Å; Y128-G132 WeakPolarHBondContact CD1-O 3.22Å; Y128-T133 HydrophobicContact CD1-CG2 4.32Å; Y128-T133 HydrophobicContact CE1-CG2 4.45Å; Y128-D138 HydrophobicContact CE1-CB 4.04Å; Y128-D138 PolarHBondContact OH-OD1 3.25Å; Y128-D138 PolarHBondContact OH-OD2 3.05Å; Y128-M152 HydrophobicContact CD1-CE 4.01Å; Y128-M152 HydrophobicContact CD2-CB 4.31Å; Y128-M152 HydrophobicContact CD2-CE 3.72Å; Y128-M152 HydrophobicContact CD2-CG 4.48Å; Y128-M152 HydrophobicContact CE1-CE 4.48Å; Y128-M152 HydrophobicContact CE2-CE 4.2Å; Y128-M152 HydrophobicContact CG-CE 3.64Å; Y128-L156 HydrophobicContact CE2-CD1 3.89Å; Y128-F186 HydrophobicContact CE2-CZ 4.47Å; Y128-V190 HydrophobicContact CD2-CG1 3.66Å; Y128-V190 HydrophobicContact CD2-CG2 4.42Å; Y128-V190 HydrophobicContact CE2-CG1 3.83Å; Y128-V190 HydrophobicContact CE2-CG2 4.05Å
129R87.7Confident92.7Very high110 Ų11018.3 Ų18.342%0.4159%0.088SC..Hα-helixtrans-57.5-30.8176.3-171.8178.572.9-177.6-0.8112.6G125 V127 L193G125-R129 VanDerWaalsContact O-CB 3.23Å; G125-R129 WeakPolarHBondContact O-CB 3.41Å; G125-R129 PolarHBondContact O-N 2.87Å; V127-R129 PolarHBondContact O-N 3.46Å; R129-L193 VanDerWaalsContact CD-O 3.26Å; R129-L193 WeakPolarHBondContact CD-O 3.5Å
130N88.5Confident92.6Very high16 Ų1617.3 Ų17.39%0.0869%0.086CC..THydrogen-bonded Turntrans-94.33.4-179.8-69.1-83.5000113.3E11 F14 I15 R77 Y81 L126 V127 Y128E11-N130 HydrophobicContact CB-CB 4.15Å; E11-N130 HydrophobicContact CG-CB 4.26Å; F14-N130 WeakPolarHBondContact CB-ND2 3.41Å; I15-N130 HydrophobicContact CG1-CB 4.2Å; R77-N130 PolarHBondContact NH2-O 2.95Å; Y81-N130 VanDerWaalsContact CD2-O 3.31Å; Y81-N130 WeakPolarHBondContact CD2-O 3.49Å; Y81-N130 WeakPolarHBondContact CE2-O 3.46Å; L126-N130 PolarHBondContact O-N 3.44Å; L126-N130 PolarHBondContact O-ND2 3.32Å; V127-N130 PolarHBondContact O-N 2.81Å; V127-N130 VanDerWaalsContact O-N 3.15Å; Y128-N130 PolarHBondContact O-N 3.05Å; Y128-N130 VanDerWaalsContact O-N 3.16Å
131G86.5Confident92.5Very high9 Ų917.1 Ų17.19%0.0938%0.084CC..THydrogen-bonded Turntrans90.39.1172.800000115.2S78 V127 Y128S78-G131 WeakPolarHBondContact CA-O 3.09Å; S78-G131 PolarHBondContact OG-O 3.03Å; V127-G131 PolarHBondContact O-N 3.19Å; Y128-G131 PolarHBondContact O-N 3.15Å
132G89.2Confident92.1Very high0 Ų019.8 Ų19.80%09%0.094CC..  trans-95.1174.6170.100000112.1V127 Y128V127-G132 PolarHBondContact O-N 3.14Å; V127-G132 VanDerWaalsContact O-N 3.16Å; Y128-G132 WeakPolarHBondContact CA-O 3.25Å; Y128-G132 WeakPolarHBondContact CD1-O 3.22Å
133T93.1Very high91.7Very high0 Ų016.3 Ų16.30%08%0.08CC..  trans-140.6171.8166.563.90000108.9T82 Y128 D138 V139 R142 M152T82-T133 WeakPolarHBondContact CA-O 3.34Å; T82-T133 WeakPolarHBondContact CB-OG1 3.43Å; T82-T133 WeakPolarHBondContact CG2-OG1 3.21Å; T82-T133 PolarHBondContact OG1-N 2.84Å; T82-T133 PolarHBondContact OG1-OG1 2.92Å; Y128-T133 HydrophobicContact CD1-CG2 4.32Å; Y128-T133 HydrophobicContact CE1-CG2 4.45Å; T133-D138 HydrophobicContact CG2-CB 4.01Å; T133-V139 WeakPolarHBondContact OG1-CG2 3.49Å; T133-R142 HydrophobicContact CG2-CB 4.24Å; T133-M152 HydrophobicContact CG2-CE 4.4Å
134T91.2Very high91.2Very high15 Ų1519 Ų199%0.0929%0.094CC..  trans-94.5-1.6175.771.20000113.5T19 Y22 T86 L89 V127 D138T19-T134 HydrophobicContact CG2-CG2 4.26Å; Y22-T134 HydrophobicContact CD1-CG2 4.12Å; Y22-T134 HydrophobicContact CE1-CG2 4.36Å; T86-T134 VanDerWaalsContact OG1-C 3.29Å; T86-T134 PolarHBondContact OG1-O 3.38Å; L89-T134 HydrophobicContact CD2-CG2 4.21Å; V127-T134 HydrophobicContact CG1-CG2 4.47Å; T134-D138 WeakPolarHBondContact CB-OD2 3.3Å; T134-D138 PolarHBondContact N-OD2 3.45Å; T134-D138 PolarHBondContact OG1-OD2 3.3Å
135G88.7Confident90.6Very high6 Ų621 Ų216%0.06210%0.104CC..SBendtrans106.4-176.1-177.900000111.4A137 D138G135-A137 PolarHBondContact O-N 2.66Å; G135-D138 WeakPolarHBondContact O-CB 3.3Å; G135-D138 PolarHBondContact O-N 2.88Å
136G89.6Confident89.7Confident4 Ų426.7 Ų26.74%0.04113%0.13CC..THydrogen-bonded Turntrans56.4-130.3175.600000115N63 D138 V139N63-G136 WeakPolarHBondContact OD1-CA 3.35Å; N63-G136 PolarHBondContact OD1-N 3.15Å; N63-G136 VanDerWaalsContact OD1-N 3.08Å; G136-D138 PolarHBondContact O-N 3.07Å; G136-V139 PolarHBondContact O-N 3.05Å; G136-V139 VanDerWaalsContact O-N 3.1Å
137A92.8Very high88.9Confident7 Ų732.5 Ų32.56%0.05815%0.154CC..Hα-helixtrans-62.1-27.6-173.700000112.3V40 G135 V139 I140 A141 L156 F159V40-A137 HydrophobicContact CG2-CB 4.32Å; G135-A137 PolarHBondContact O-N 2.66Å; A137-V139 PolarHBondContact O-N 3.49Å; A137-I140 WeakPolarHBondContact O-CB 3.28Å; A137-I140 PolarHBondContact O-N 3.19Å; A137-I140 VanDerWaalsContact O-N 3.14Å; A137-A141 PolarHBondContact O-N 2.75Å; A137-L156 HydrophobicContact CB-CD2 4Å; A137-F159 HydrophobicContact CB-CD1 4.05Å; A137-F159 HydrophobicContact CB-CE1 4.09Å; A137-F159 HydrophobicContact CB-CG 4.36Å; A137-F159 HydrophobicContact CB-CZ 4.43Å
138D94.1Very high88.1Confident15 Ų1537.6 Ų37.68%0.0818%0.18CC..Hα-helixtrans-58.5-36.2176.1-55.4-8.7000112.5Y128 T133 T134 G135 G136 A141 R142Y128-D138 HydrophobicContact CE1-CB 4.04Å; Y128-D138 PolarHBondContact OH-OD1 3.25Å; Y128-D138 PolarHBondContact OH-OD2 3.05Å; T133-D138 HydrophobicContact CG2-CB 4.01Å; T134-D138 WeakPolarHBondContact CB-OD2 3.3Å; T134-D138 PolarHBondContact N-OD2 3.45Å; T134-D138 PolarHBondContact OG1-OD2 3.3Å; G135-D138 WeakPolarHBondContact O-CB 3.3Å; G135-D138 PolarHBondContact O-N 2.88Å; G136-D138 PolarHBondContact O-N 3.07Å; D138-A141 PolarHBondContact O-N 3.44Å; D138-R142 WeakPolarHBondContact O-CB 3.43Å; D138-R142 PolarHBondContact O-N 3.25Å
139V93.2Very high87.3Confident2 Ų240.4 Ų40.41%0.01221%0.209CC..Hα-helixtrans-68.5-42.2179.8-177.70000109.9L66 I67 T82 T133 G136 A137 R142 I143L66-V139 WeakPolarHBondContact O-CG1 3.26Å; I67-V139 HydrophobicContact CG1-CG2 4.41Å; T82-V139 HydrophobicContact CG2-CG2 4.1Å; T133-V139 WeakPolarHBondContact OG1-CG2 3.49Å; G136-V139 PolarHBondContact O-N 3.05Å; G136-V139 VanDerWaalsContact O-N 3.1Å; A137-V139 PolarHBondContact O-N 3.49Å; V139-R142 PolarHBondContact O-N 3.44Å; V139-I143 HydrophobicContact CG1-CD1 4.12Å; V139-I143 WeakPolarHBondContact O-CD1 3.49Å; V139-I143 VanDerWaalsContact O-CG1 3.26Å; V139-I143 WeakPolarHBondContact O-CG1 3.31Å; V139-I143 PolarHBondContact O-N 3.47Å
140I93.6Very high87Confident48 Ų4838.7 Ų38.725%0.24621%0.205CC..Hα-helixtrans-62.3-48.6175-59.9169.7000109.6L66 A137 R142 I143 L144 F159L66-I140 HydrophobicContact CD1-CD1 3.98Å; L66-I140 HydrophobicContact CD1-CG1 4.25Å; L66-I140 HydrophobicContact CD2-CD1 3.82Å; L66-I140 HydrophobicContact CD2-CG1 3.62Å; A137-I140 WeakPolarHBondContact O-CB 3.28Å; A137-I140 PolarHBondContact O-N 3.19Å; A137-I140 VanDerWaalsContact O-N 3.14Å; I140-R142 VanDerWaalsContact C-N 3.26Å; I140-R142 PolarHBondContact O-N 2.93Å; I140-I143 PolarHBondContact O-N 3.49Å; I140-I143 VanDerWaalsContact O-N 3.14Å; I140-L144 HydrophobicContact CG2-CD1 4.03Å; I140-L144 HydrophobicContact CG2-CG 4.37Å; I140-L144 WeakPolarHBondContact O-CG 3.12Å; I140-L144 PolarHBondContact O-N 3.04Å; I140-F159 HydrophobicContact CD1-CE2 4.03Å; I140-F159 HydrophobicContact CD1-CZ 4.49Å
141A92.7Very high86.9Confident1 Ų140.4 Ų40.41%0.00822%0.216CC..Hα-helixtrans-56.5-41.3177.700000111.8A137 D138 L144 E145 M152 L156A137-A141 PolarHBondContact O-N 2.75Å; D138-A141 PolarHBondContact O-N 3.44Å; A141-L144 PolarHBondContact O-N 2.98Å; A141-E145 WeakPolarHBondContact O-CB 3.46Å; A141-E145 PolarHBondContact O-N 2.87Å; A141-M152 HydrophobicContact CB-SD 3.81Å; A141-L156 HydrophobicContact CB-CD1 4.3Å; A141-L156 HydrophobicContact CB-CD2 3.89Å; A141-L156 HydrophobicContact CB-CG 3.71Å
142R89Confident87Confident55 Ų5540 Ų4021%0.20821%0.212CC..Hα-helixtrans-66.9-39.2178-167.760.1170.8-171.3-6.6112.9L74 T133 D138 V139 I140 E145 Q146 M152L74-R142 HydrophobicContact CD1-CB 3.92Å; L74-R142 HydrophobicContact CD1-CG 3.61Å; L74-R142 HydrophobicContact CD2-CB 4.43Å; L74-R142 HydrophobicContact CD2-CG 3.85Å; L74-R142 HydrophobicContact CG-CG 4.37Å; T133-R142 HydrophobicContact CG2-CB 4.24Å; D138-R142 WeakPolarHBondContact O-CB 3.43Å; D138-R142 PolarHBondContact O-N 3.25Å; V139-R142 PolarHBondContact O-N 3.44Å; I140-R142 VanDerWaalsContact C-N 3.26Å; I140-R142 PolarHBondContact O-N 2.93Å; R142-E145 WeakPolarHBondContact CD-OE2 3.42Å; R142-E145 IonicContact CZ-OE2 2.67Å; R142-E145 IonicContact NE-OE2 3.86Å; R142-E145 IonicContact NH1-OE2 3.75Å; R142-E145 PolarHBondContact NH1-OE2 3.16Å; R142-E145 PolarHBondContact O-N 3.23Å; R142-Q146 PolarHBondContact O-N 2.94Å; R142-M152 WeakPolarHBondContact CA-SD 3.46Å; R142-M152 HydrophobicContact CB-CE 3.74Å; R142-M152 HydrophobicContact CB-SD 3.88Å; R142-M152 HydrophobicContact CG-CE 4.18Å; R142-M152 PolarHBondContact N-SD 2.67Å
143I87.9Confident87.2Confident30 Ų3040 Ų4015%0.15421%0.212CC..Hα-helixtrans-64-44.3175-67.1162.3000109.9I73 L74 V139 I140 E145 Q146 K147I73-I143 HydrophobicContact CD1-CD1 4.2Å; I73-I143 HydrophobicContact CD1-CG1 4.48Å; I73-I143 HydrophobicContact CD1-CG2 4.25Å; I73-I143 HydrophobicContact CG2-CG1 4.43Å; I73-I143 HydrophobicContact CG2-CG2 4.32Å; L74-I143 HydrophobicContact CD1-CG1 4.33Å; L74-I143 HydrophobicContact CD2-CG1 4.03Å; L74-I143 HydrophobicContact CG-CG1 4.16Å; V139-I143 HydrophobicContact CG1-CD1 4.12Å; V139-I143 WeakPolarHBondContact O-CD1 3.49Å; V139-I143 VanDerWaalsContact O-CG1 3.26Å; V139-I143 WeakPolarHBondContact O-CG1 3.31Å; V139-I143 PolarHBondContact O-N 3.47Å; I140-I143 PolarHBondContact O-N 3.49Å; I140-I143 VanDerWaalsContact O-N 3.14Å; I143-E145 VanDerWaalsContact C-N 3.34Å; I143-Q146 PolarHBondContact O-N 3.15Å; I143-K147 HydrophobicContact CG2-CG 4.17Å; I143-K147 VanDerWaalsContact O-CB 3.29Å; I143-K147 WeakPolarHBondContact O-CB 3.33Å; I143-K147 WeakPolarHBondContact O-CG 3.34Å; I143-K147 PolarHBondContact O-N 3.48Å
144L87Confident87.1Confident57 Ų5744.6 Ų44.630%0.29823%0.232SC..Hα-helixtrans-64.5-38.4178-68174.6000112.1I140 A141 K147 I148 G149I140-L144 HydrophobicContact CG2-CD1 4.03Å; I140-L144 HydrophobicContact CG2-CG 4.37Å; I140-L144 WeakPolarHBondContact O-CG 3.12Å; I140-L144 PolarHBondContact O-N 3.04Å; A141-L144 PolarHBondContact O-N 2.98Å; L144-K147 PolarHBondContact O-N 3.47Å; L144-I148 HydrophobicContact CD2-CD1 3.72Å; L144-I148 HydrophobicContact CD2-CG1 4.48Å; L144-I148 WeakPolarHBondContact O-CA 3.48Å; L144-I148 PolarHBondContact O-N 2.99Å; L144-G149 PolarHBondContact O-N 2.81Å
145E82.5Confident87.2Confident42 Ų4244.2 Ų44.220%0.19623%0.23CC..Hα-helixtrans-59.7-47.9172.8-173.7-179.2-124.100111.4A141 R142 I143 G149 F150 M152A141-E145 WeakPolarHBondContact O-CB 3.46Å; A141-E145 PolarHBondContact O-N 2.87Å; R142-E145 WeakPolarHBondContact CD-OE2 3.42Å; R142-E145 IonicContact CZ-OE2 2.67Å; R142-E145 IonicContact NE-OE2 3.86Å; R142-E145 IonicContact NH1-OE2 3.75Å; R142-E145 PolarHBondContact NH1-OE2 3.16Å; R142-E145 PolarHBondContact O-N 3.23Å; I143-E145 VanDerWaalsContact C-N 3.34Å; E145-G149 VanDerWaalsContact O-CA 3.25Å; E145-G149 WeakPolarHBondContact O-CA 3.12Å; E145-G149 PolarHBondContact O-N 3.33Å; E145-G149 VanDerWaalsContact O-N 3.1Å; E145-F150 WeakPolarHBondContact CA-O 3.46Å; E145-F150 VanDerWaalsContact CB-O 3.23Å; E145-F150 WeakPolarHBondContact CB-O 3.34Å; E145-M152 HydrophobicContact CB-CG 4.41Å; E145-M152 HydrophobicContact CB-SD 4.29Å; E145-M152 VanDerWaalsContact CD-CG 3.48Å; E145-M152 HydrophobicContact CG-CG 4.48Å; E145-M152 WeakPolarHBondContact OE1-CG 3.28Å; E145-M152 WeakPolarHBondContact OE2-CG 3.42Å
146Q75.3Confident87.5Confident119 Ų11944.2 Ų44.256%0.55623%0.228SC*.Hα-helixtrans-71.4-34.5-179.1-169.5-179.79.300113.4L74 R142 I143L74-Q146 HydrophobicContact CD2-CB 4.41Å; R142-Q146 PolarHBondContact O-N 2.94Å; I143-Q146 PolarHBondContact O-N 3.15Å
147K78Confident87.8Confident146 Ų14645.4 Ų45.464%0.63523%0.234SC*.Hα-helixtrans-93.1-34-171.7-70.2-67.8-175.6-177.10114.1I143 L144I143-K147 HydrophobicContact CG2-CG 4.17Å; I143-K147 VanDerWaalsContact O-CB 3.29Å; I143-K147 WeakPolarHBondContact O-CB 3.33Å; I143-K147 WeakPolarHBondContact O-CG 3.34Å; I143-K147 PolarHBondContact O-N 3.48Å; L144-K147 PolarHBondContact O-N 3.47Å
148I78.4Confident87.9Confident107 Ų10749 Ų4955%0.54925%0.251SS..Hα-helixtrans-123.6-8.1-170.7-46.3-177.1000110.9L144 F150L144-I148 HydrophobicContact CD2-CD1 3.72Å; L144-I148 HydrophobicContact CD2-CG1 4.48Å; L144-I148 WeakPolarHBondContact O-CA 3.48Å; L144-I148 PolarHBondContact O-N 2.99Å; I148-F150 VanDerWaalsContact C-N 3.26Å; I148-F150 HydrophobicContact CG2-CD1 4.12Å; I148-F150 HydrophobicContact CG2-CE1 4.18Å; I148-F150 PolarHBondContact O-N 2.85Å
149G75.2Confident87.9Confident59 Ų5950.5 Ų50.561%0.60826%0.257SS*.  trans7513.4178.900000114L144 E145L144-G149 PolarHBondContact O-N 2.81Å; E145-G149 VanDerWaalsContact O-CA 3.25Å; E145-G149 WeakPolarHBondContact O-CA 3.12Å; E145-G149 PolarHBondContact O-N 3.33Å; E145-G149 VanDerWaalsContact O-N 3.1Å
150F80.1Confident87.8Confident75 Ų7551 Ų5133%0.32926%0.26SS..  trans-73.5129.5174-84.923.5000109.7E145 I148 K154 I158E145-F150 WeakPolarHBondContact CA-O 3.46Å; E145-F150 VanDerWaalsContact CB-O 3.23Å; E145-F150 WeakPolarHBondContact CB-O 3.34Å; I148-F150 VanDerWaalsContact C-N 3.26Å; I148-F150 HydrophobicContact CG2-CD1 4.12Å; I148-F150 HydrophobicContact CG2-CE1 4.18Å; I148-F150 PolarHBondContact O-N 2.85Å; F150-K154 HydrophobicContact CD2-CD 4.2Å; F150-K154 HydrophobicContact CG-CD 4.31Å; F150-I158 HydrophobicContact CE2-CD1 4.43Å
151T86.6Confident87.8Confident51 Ų5151.7 Ų51.731%0.31326%0.263SS..  trans-58.1150.3176.266.70000110.9G153 K154 S155 D191T151-G153 VanDerWaalsContact C-N 3.3Å; T151-G153 PolarHBondContact O-N 3.23Å; T151-K154 PolarHBondContact O-N 2.86Å; T151-K154 WeakPolarHBondContact OG1-CB 3.45Å; T151-K154 PolarHBondContact OG1-N 2.62Å; T151-S155 PolarHBondContact O-N 2.85Å; T151-S155 PolarHBondContact O-OG 3.32Å; T151-S155 VanDerWaalsContact O-OG 3.12Å; T151-D191 WeakPolarHBondContact CB-OD1 3.37Å; T151-D191 PolarHBondContact OG1-OD1 2.65Å; T151-D191 PolarHBondContact OG1-OD2 3.23Å
152M88.8Confident87.7Confident0 Ų055.6 Ų55.60%029%0.287CS..Hα-helixtrans-54.4-47.8178.3-72.6-74.2-100.700111.7Y128 T133 A141 R142 E145 K154 S155 L156 V190Y128-M152 HydrophobicContact CD1-CE 4.01Å; Y128-M152 HydrophobicContact CD2-CB 4.31Å; Y128-M152 HydrophobicContact CD2-CE 3.72Å; Y128-M152 HydrophobicContact CD2-CG 4.48Å; Y128-M152 HydrophobicContact CE1-CE 4.48Å; Y128-M152 HydrophobicContact CE2-CE 4.2Å; Y128-M152 HydrophobicContact CG-CE 3.64Å; T133-M152 HydrophobicContact CG2-CE 4.4Å; A141-M152 HydrophobicContact CB-SD 3.81Å; R142-M152 WeakPolarHBondContact CA-SD 3.46Å; R142-M152 HydrophobicContact CB-CE 3.74Å; R142-M152 HydrophobicContact CB-SD 3.88Å; R142-M152 HydrophobicContact CG-CE 4.18Å; R142-M152 PolarHBondContact N-SD 2.67Å; E145-M152 HydrophobicContact CB-CG 4.41Å; E145-M152 HydrophobicContact CB-SD 4.29Å; E145-M152 VanDerWaalsContact CD-CG 3.48Å; E145-M152 HydrophobicContact CG-CG 4.48Å; E145-M152 WeakPolarHBondContact OE1-CG 3.28Å; E145-M152 WeakPolarHBondContact OE2-CG 3.42Å; M152-K154 PolarHBondContact O-N 3.09Å; M152-S155 PolarHBondContact O-N 3.47Å; M152-L156 WeakPolarHBondContact O-CB 3.49Å; M152-L156 WeakPolarHBondContact O-CD1 3.34Å; M152-L156 VanDerWaalsContact O-CG 3.28Å; M152-L156 WeakPolarHBondContact O-CG 3.46Å; M152-L156 PolarHBondContact O-N 3.24Å; M152-V190 HydrophobicContact CB-CG1 3.71Å
153G92.9Very high87.8Confident0 Ų053.4 Ų53.40%028%0.279CS..Hα-helixtrans-62.4-42.4178.900000112.2T151 S155 L156 L157 S187 D191T151-G153 VanDerWaalsContact C-N 3.3Å; T151-G153 PolarHBondContact O-N 3.23Å; G153-S155 PolarHBondContact O-N 3.44Å; G153-L156 PolarHBondContact O-N 2.83Å; G153-L157 VanDerWaalsContact O-CB 3.27Å; G153-L157 WeakPolarHBondContact O-CB 3.22Å; G153-L157 PolarHBondContact O-N 3.38Å; G153-S187 VanDerWaalsContact O-CB 3.27Å; G153-S187 WeakPolarHBondContact O-CB 3.11Å; G153-D191 WeakPolarHBondContact CA-OD1 3.38Å; G153-D191 PolarHBondContact N-OD1 2.75Å
154K92.1Very high87.7Confident97 Ų9752.2 Ų52.242%0.42227%0.273SS..Hα-helixtrans-61.2-45.3176.1-175.8-176.5-179.7-170.70111.9F150 T151 M152 L157 I158F150-K154 HydrophobicContact CD2-CD 4.2Å; F150-K154 HydrophobicContact CG-CD 4.31Å; T151-K154 PolarHBondContact O-N 2.86Å; T151-K154 WeakPolarHBondContact OG1-CB 3.45Å; T151-K154 PolarHBondContact OG1-N 2.62Å; M152-K154 PolarHBondContact O-N 3.09Å; K154-L157 PolarHBondContact O-N 3.33Å; K154-I158 HydrophobicContact CG-CD1 4.08Å; K154-I158 WeakPolarHBondContact O-CG1 3.44Å; K154-I158 PolarHBondContact O-N 2.9Å; K154-I158 VanDerWaalsContact O-N 3.09Å
155S93.3Very high87.7Confident8 Ų854.2 Ų54.26%0.05628%0.283CS..Hα-helixtrans-62.7-46.1179.6-59.40000111.6T151 M152 G153 I158 F159T151-S155 PolarHBondContact O-N 2.85Å; T151-S155 PolarHBondContact O-OG 3.32Å; T151-S155 VanDerWaalsContact O-OG 3.12Å; M152-S155 PolarHBondContact O-N 3.47Å; G153-S155 PolarHBondContact O-N 3.44Å; S155-I158 PolarHBondContact O-N 3.37Å; S155-F159 PolarHBondContact O-N 2.89Å; S155-F159 VanDerWaalsContact O-N 3.09Å
156L94.7Very high87.8Confident5 Ų555.5 Ų55.53%0.02630%0.296CS..Hα-helixtrans-65.5-42.4178.5-69.5164000111.7Y128 A137 A141 M152 G153 I158 F159 D160 F186Y128-L156 HydrophobicContact CE2-CD1 3.89Å; A137-L156 HydrophobicContact CB-CD2 4Å; A141-L156 HydrophobicContact CB-CD1 4.3Å; A141-L156 HydrophobicContact CB-CD2 3.89Å; A141-L156 HydrophobicContact CB-CG 3.71Å; M152-L156 WeakPolarHBondContact O-CB 3.49Å; M152-L156 WeakPolarHBondContact O-CD1 3.34Å; M152-L156 VanDerWaalsContact O-CG 3.28Å; M152-L156 WeakPolarHBondContact O-CG 3.46Å; M152-L156 PolarHBondContact O-N 3.24Å; G153-L156 PolarHBondContact O-N 2.83Å; L156-I158 PolarHBondContact O-N 3.46Å; L156-F159 WeakPolarHBondContact O-CB 3.32Å; L156-F159 PolarHBondContact O-N 3.47Å; L156-D160 WeakPolarHBondContact O-CB 3.27Å; L156-D160 VanDerWaalsContact O-CG 3.27Å; L156-D160 PolarHBondContact O-N 3.08Å; L156-F186 HydrophobicContact CB-CE1 3.98Å; L156-F186 HydrophobicContact CD1-CE1 3.48Å; L156-F186 VanDerWaalsContact CD1-CE1 3.48Å; L156-F186 HydrophobicContact CD1-CZ 3.8Å; L156-F186 HydrophobicContact CG-CE1 4.24Å
157L95.7Very high88.1Confident29 Ų2950 Ų5015%0.15227%0.27CS..Hα-helixtrans-62.3-42.8177.9-178.561.6000112.3G153 K154 F159 D160 I161 F184G153-L157 VanDerWaalsContact O-CB 3.27Å; G153-L157 WeakPolarHBondContact O-CB 3.22Å; G153-L157 PolarHBondContact O-N 3.38Å; K154-L157 PolarHBondContact O-N 3.33Å; L157-F159 VanDerWaalsContact C-N 3.32Å; L157-D160 PolarHBondContact O-N 3.27Å; L157-I161 HydrophobicContact CD1-CD1 4.07Å; L157-I161 HydrophobicContact CD1-CG1 4.29Å; L157-I161 HydrophobicContact CG-CD1 3.89Å; L157-I161 WeakPolarHBondContact O-CB 3.25Å; L157-I161 VanDerWaalsContact O-CG1 3.24Å; L157-I161 WeakPolarHBondContact O-CG1 3.23Å; L157-I161 PolarHBondContact O-N 3.21Å; L157-F184 HydrophobicContact CD1-CB 4.46Å; L157-F184 HydrophobicContact CD2-CD2 4.13Å
158I95Very high87.9Confident82 Ų8247 Ų4742%0.42126%0.261SS..Hα-helixtrans-62.1-45176.2-69.4167.1000110F150 K154 S155 L156 I161 V162F150-I158 HydrophobicContact CE2-CD1 4.43Å; K154-I158 HydrophobicContact CG-CD1 4.08Å; K154-I158 WeakPolarHBondContact O-CG1 3.44Å; K154-I158 PolarHBondContact O-N 2.9Å; K154-I158 VanDerWaalsContact O-N 3.09Å; S155-I158 PolarHBondContact O-N 3.37Å; L156-I158 PolarHBondContact O-N 3.46Å; I158-I161 PolarHBondContact O-N 3.12Å; I158-V162 WeakPolarHBondContact O-CG2 3.05Å; I158-V162 PolarHBondContact O-N 3.15Å
159F92.9Very high87.6Confident48 Ų4847.6 Ų47.621%0.21127%0.27CS..Hα-helixtrans-60.3-47.3178.3-161.8-82.3000111.2G39 I43 A137 I140 S155 L156 L157 V162 V163G39-F159 VanDerWaalsContact CA-CD1 3.41Å; G39-F159 VanDerWaalsContact CA-CE1 3.46Å; G39-F159 WeakPolarHBondContact O-CE1 3.39Å; I43-F159 HydrophobicContact CD1-CE1 3.64Å; I43-F159 HydrophobicContact CD1-CE2 4.47Å; I43-F159 HydrophobicContact CD1-CZ 3.36Å; I43-F159 HydrophobicContact CG1-CE1 4.28Å; I43-F159 HydrophobicContact CG1-CZ 4.45Å; A137-F159 HydrophobicContact CB-CD1 4.05Å; A137-F159 HydrophobicContact CB-CE1 4.09Å; A137-F159 HydrophobicContact CB-CG 4.36Å; A137-F159 HydrophobicContact CB-CZ 4.43Å; I140-F159 HydrophobicContact CD1-CE2 4.03Å; I140-F159 HydrophobicContact CD1-CZ 4.49Å; S155-F159 PolarHBondContact O-N 2.89Å; S155-F159 VanDerWaalsContact O-N 3.09Å; L156-F159 WeakPolarHBondContact O-CB 3.32Å; L156-F159 PolarHBondContact O-N 3.47Å; L157-F159 VanDerWaalsContact C-N 3.32Å; F159-V162 PolarHBondContact O-N 3.41Å; F159-V163 HydrophobicContact CD1-CG2 3.79Å; F159-V163 HydrophobicContact CE1-CG2 3.66Å; F159-V163 VanDerWaalsContact O-CG2 3.28Å; F159-V163 WeakPolarHBondContact O-CG2 3.32Å; F159-V163 PolarHBondContact O-N 3.19Å
160D92.2Very high87.5Confident13 Ų1348.7 Ų48.77%0.0726%0.256CS..Hα-helixtrans-61.5-45.7178.2-73.3-0.3000111.7G38 G39 L156 L157 V162 V163 L164 S183G38-D160 VanDerWaalsContact CA-OD1 3.3Å; G38-D160 WeakPolarHBondContact CA-OD1 3.43Å; G39-D160 PolarHBondContact N-OD1 3.29Å; L156-D160 WeakPolarHBondContact O-CB 3.27Å; L156-D160 VanDerWaalsContact O-CG 3.27Å; L156-D160 PolarHBondContact O-N 3.08Å; L157-D160 PolarHBondContact O-N 3.27Å; D160-V162 VanDerWaalsContact C-N 3.34Å; D160-V162 PolarHBondContact O-N 3.08Å; D160-V163 PolarHBondContact O-N 3.44Å; D160-L164 VanDerWaalsContact O-CB 3.25Å; D160-L164 WeakPolarHBondContact O-CB 3.24Å; D160-L164 WeakPolarHBondContact O-CG 3.24Å; D160-L164 PolarHBondContact O-N 3.31Å; D160-S183 WeakPolarHBondContact OD2-CB 3.44Å; D160-S183 PolarHBondContact OD2-OG 3.1Å
161I93.1Very high87Confident62 Ų6247.6 Ų47.632%0.31825%0.253SS..Hα-helixtrans-57.4-47.7176.9-73.9166.1000110.9L157 I158 L164 I165 L180L157-I161 HydrophobicContact CD1-CD1 4.07Å; L157-I161 HydrophobicContact CD1-CG1 4.29Å; L157-I161 HydrophobicContact CG-CD1 3.89Å; L157-I161 WeakPolarHBondContact O-CB 3.25Å; L157-I161 VanDerWaalsContact O-CG1 3.24Å; L157-I161 WeakPolarHBondContact O-CG1 3.23Å; L157-I161 PolarHBondContact O-N 3.21Å; I158-I161 PolarHBondContact O-N 3.12Å; I161-L164 PolarHBondContact O-N 3.09Å; I161-I165 HydrophobicContact CG2-CD1 3.62Å; I161-I165 HydrophobicContact CG2-CG1 4.43Å; I161-I165 WeakPolarHBondContact O-CB 3.33Å; I161-I165 VanDerWaalsContact O-CG1 3.23Å; I161-I165 WeakPolarHBondContact O-CG1 3.39Å; I161-I165 PolarHBondContact O-N 3Å; I161-L180 HydrophobicContact CD1-CD1 4.31Å; I161-L180 HydrophobicContact CG1-CD1 3.53Å
162V91.8Very high86.7Confident83 Ų8349.5 Ų49.550%0.50326%0.262SS..Hα-helixtrans-61.3-47.7179.7171.30000110.6I158 F159 D160 I165 C166I158-V162 WeakPolarHBondContact O-CG2 3.05Å; I158-V162 PolarHBondContact O-N 3.15Å; F159-V162 PolarHBondContact O-N 3.41Å; D160-V162 VanDerWaalsContact C-N 3.34Å; D160-V162 PolarHBondContact O-N 3.08Å; V162-I165 PolarHBondContact O-N 3.47Å; V162-C166 PolarHBondContact O-N 2.88Å; V162-C166 PolarHBondContact O-SG 3.48Å
163V89.3Confident86.5Confident8 Ų854.5 Ų54.55%0.04829%0.288CS..Hα-helixtrans-65-42.4-179.4173.10000111.7I43 I46 F159 D160 C166 S167I43-V163 HydrophobicContact CD1-CG2 4.17Å; I43-V163 HydrophobicContact CG1-CG1 4.38Å; I43-V163 HydrophobicContact CG1-CG2 3.67Å; I46-V163 HydrophobicContact CD1-CG1 4.13Å; F159-V163 HydrophobicContact CD1-CG2 3.79Å; F159-V163 HydrophobicContact CE1-CG2 3.66Å; F159-V163 VanDerWaalsContact O-CG2 3.28Å; F159-V163 WeakPolarHBondContact O-CG2 3.32Å; F159-V163 PolarHBondContact O-N 3.19Å; D160-V163 PolarHBondContact O-N 3.44Å; V163-C166 PolarHBondContact O-N 2.97Å; V163-S167 WeakPolarHBondContact O-CB 3.5Å; V163-S167 PolarHBondContact O-N 3.47Å; V163-S167 PolarHBondContact O-OG 3.48Å
164L86.9Confident86.2Confident5 Ų560.2 Ų60.23%0.02631%0.313CS..Hα-helixtrans-65.7-40.7178.5-71.5172.5000111.8D160 I161 S167 L168 M176 T179 L180D160-L164 VanDerWaalsContact O-CB 3.25Å; D160-L164 WeakPolarHBondContact O-CB 3.24Å; D160-L164 WeakPolarHBondContact O-CG 3.24Å; D160-L164 PolarHBondContact O-N 3.31Å; I161-L164 PolarHBondContact O-N 3.09Å; L164-S167 WeakPolarHBondContact O-CB 3.49Å; L164-S167 PolarHBondContact O-N 3.45Å; L164-S167 VanDerWaalsContact O-N 3.12Å; L164-L168 PolarHBondContact O-N 3.4Å; L164-M176 HydrophobicContact CB-CG 4.04Å; L164-M176 HydrophobicContact CD2-CG 4.13Å; L164-T179 HydrophobicContact CD1-CG2 4.11Å; L164-T179 HydrophobicContact CD2-CG2 3.79Å; L164-L180 HydrophobicContact CD1-CB 4.25Å; L164-L180 HydrophobicContact CD1-CD1 4.3Å
165I86.9Confident85.9Confident100 Ų10061 Ų6151%0.51331%0.313SS..Hα-helixtrans-63.9-43.5174.9-70.5167.9000110.5I161 V162 S167 L168I161-I165 HydrophobicContact CG2-CD1 3.62Å; I161-I165 HydrophobicContact CG2-CG1 4.43Å; I161-I165 WeakPolarHBondContact O-CB 3.33Å; I161-I165 VanDerWaalsContact O-CG1 3.23Å; I161-I165 WeakPolarHBondContact O-CG1 3.39Å; I161-I165 PolarHBondContact O-N 3Å; V162-I165 PolarHBondContact O-N 3.47Å; I165-S167 PolarHBondContact O-N 3.22Å; I165-L168 HydrophobicContact CB-CD1 4.42Å; I165-L168 HydrophobicContact CG2-CD1 4.18Å; I165-L168 VanDerWaalsContact O-CB 3.27Å; I165-L168 WeakPolarHBondContact O-CB 3.49Å; I165-L168 WeakPolarHBondContact O-CD1 3.32Å; I165-L168 PolarHBondContact O-N 2.87Å
166C84.9Confident85.5Confident69 Ų6960.9 Ų60.947%0.46631%0.312SS..Hα-helixtrans-62.4-28.8174.6-68.30000112.5I46 V162 V163 L168 T169I46-C166 HydrophobicContact CD1-CB 3.82Å; V162-C166 PolarHBondContact O-N 2.88Å; V162-C166 PolarHBondContact O-SG 3.48Å; V163-C166 PolarHBondContact O-N 2.97Å; C166-L168 VanDerWaalsContact C-N 3.34Å; C166-T169 PolarHBondContact O-OG1 3.03Å
167S80.7Confident85.4Confident2 Ų264.9 Ų64.91%0.01433%0.331CS..G310 helixtrans-80.7-7.8179.8-530000114.3I46 V163 L164 I165 T169 Y170 L171I46-S167 WeakPolarHBondContact CG1-OG 3.33Å; V163-S167 WeakPolarHBondContact O-CB 3.5Å; V163-S167 PolarHBondContact O-N 3.47Å; V163-S167 PolarHBondContact O-OG 3.48Å; L164-S167 WeakPolarHBondContact O-CB 3.49Å; L164-S167 PolarHBondContact O-N 3.45Å; L164-S167 VanDerWaalsContact O-N 3.12Å; I165-S167 PolarHBondContact O-N 3.22Å; S167-T169 PolarHBondContact O-N 3.49Å; S167-Y170 PolarHBondContact O-N 2.93Å; S167-Y170 VanDerWaalsContact O-N 3.08Å; S167-Y170 PolarHBondContact OG-OH 2.91Å; S167-L171 PolarHBondContact O-N 3.34Å
168L75Confident85.2Confident85 Ų8566.1 Ų66.145%0.44533%0.334SS..G310 helixtrans-52.6-26.1173.7-91154.6000113.3L164 I165 C166 Y170 L173 M176L164-L168 PolarHBondContact O-N 3.4Å; I165-L168 HydrophobicContact CB-CD1 4.42Å; I165-L168 HydrophobicContact CG2-CD1 4.18Å; I165-L168 VanDerWaalsContact O-CB 3.27Å; I165-L168 WeakPolarHBondContact O-CB 3.49Å; I165-L168 WeakPolarHBondContact O-CD1 3.32Å; I165-L168 PolarHBondContact O-N 2.87Å; C166-L168 VanDerWaalsContact C-N 3.34Å; L168-Y170 PolarHBondContact O-N 3.21Å; L168-L173 HydrophobicContact CD2-CD1 3.95Å; L168-M176 HydrophobicContact CB-CE 4.25Å; L168-M176 HydrophobicContact CD1-CE 4.47Å; L168-M176 HydrophobicContact CD2-CE 3.17Å; L168-M176 HydrophobicContact CD2-SD 4.12Å; L168-M176 HydrophobicContact CG-CE 3.34Å; L168-M176 HydrophobicContact CG-SD 3.97Å
169T72.2Confident85Confident118 Ų11862.3 Ų62.372%0.72432%0.315SS*.G310 helixtrans-66.1-21.3-179.351.30000113.4C166 S167C166-T169 PolarHBondContact O-OG1 3.03Å; S167-T169 PolarHBondContact O-N 3.49Å
170Y71.4Confident85.1Confident82 Ų8262.6 Ų62.632%0.32232%0.318SS..THydrogen-bonded Turntrans-140.3-13.7-178.366.8-91.5000115.8I46 A49 S167 L168I46-Y170 HydrophobicContact CB-CE1 4.34Å; I46-Y170 HydrophobicContact CG1-CE1 3.84Å; I46-Y170 VanDerWaalsContact CG1-OH 3.24Å; I46-Y170 WeakPolarHBondContact CG1-OH 3.5Å; I46-Y170 PolarHBondContact N-OH 3.04Å; A49-Y170 HydrophobicContact CB-CD1 3.98Å; A49-Y170 HydrophobicContact CB-CD2 4.41Å; A49-Y170 HydrophobicContact CB-CE1 4.14Å; A49-Y170 HydrophobicContact CB-CG 4.12Å; S167-Y170 PolarHBondContact O-N 2.93Å; S167-Y170 VanDerWaalsContact O-N 3.08Å; S167-Y170 PolarHBondContact OG-OH 2.91Å; L168-Y170 PolarHBondContact O-N 3.21Å
171L70.6Confident85.2Confident52 Ų5264.4 Ų64.427%0.27233%0.327SS..SBendtrans-91.6145.5176.6-69.7-179.4000112.2A36 S167 L173A36-L171 HydrophobicContact CB-CD1 4.13Å; S167-L171 PolarHBondContact O-N 3.34Å; L171-L173 PolarHBondContact O-N 3.1Å
172D80.5Confident85.3Confident92 Ų9262 Ų6249%0.49232%0.315SS..  trans-62.1128.4170176.229.4000111.2K174 R175 M176D172-K174 PolarHBondContact O-N 2.79Å; D172-K174 PolarHBondContact OD1-N 3.25Å; D172-R175 HydrophobicContact CB-CG 4.48Å; D172-R175 PolarHBondContact O-N 2.84Å; D172-M176 PolarHBondContact O-N 3.16Å; D172-M176 VanDerWaalsContact O-N 3.15Å
173L84.6Confident85.5Confident104 Ų10458.2 Ų58.255%0.54529%0.293SS..Hα-helixtrans-55.1-38.3-177.8-177.463.5000111.5L168 L171 M176 M177L168-L173 HydrophobicContact CD2-CD1 3.95Å; L171-L173 PolarHBondContact O-N 3.1Å; L173-M176 HydrophobicContact CD1-CE 3.79Å; L173-M176 HydrophobicContact CD1-SD 4.31Å; L173-M176 PolarHBondContact O-N 2.94Å; L173-M177 WeakPolarHBondContact O-CG 3.26Å; L173-M177 PolarHBondContact O-N 3.39Å; L173-M177 VanDerWaalsContact O-N 3.08Å
174K87.1Confident85.8Confident120 Ų12062.9 Ų62.952%0.52231%0.313SS..Hα-helixtrans-61.4-52.3179.7-176.5178.2178.8-1780111.3D172 M176 M177 Y178D172-K174 PolarHBondContact O-N 2.79Å; D172-K174 PolarHBondContact OD1-N 3.25Å; K174-M176 VanDerWaalsContact C-N 3.31Å; K174-M176 PolarHBondContact O-N 3.43Å; K174-M177 PolarHBondContact O-N 2.98Å; K174-Y178 HydrophobicContact CD-CE2 4.34Å; K174-Y178 HydrophobicContact CG-CD2 3.99Å; K174-Y178 HydrophobicContact CG-CE2 3.65Å; K174-Y178 WeakPolarHBondContact O-CD2 3.44Å; K174-Y178 PolarHBondContact O-N 2.78Å
175R84.3Confident86.4Confident113 Ų11363.8 Ų63.843%0.42632%0.318SS..Hα-helixtrans-65.1-34.9-178.3-65.1-177.6-176.5-167.2-2.3112.6D172 Y178 T179D172-R175 HydrophobicContact CB-CG 4.48Å; D172-R175 PolarHBondContact O-N 2.84Å; R175-Y178 PolarHBondContact O-N 3.34Å; R175-T179 WeakPolarHBondContact O-CB 3.24Å; R175-T179 PolarHBondContact O-N 3.49Å; R175-T179 PolarHBondContact O-OG1 3.21Å
176M86.6Confident86.8Confident6 Ų659.9 Ų59.93%0.0330%0.298CS..Hα-helixtrans-66-41.5175.5-176.7-141.9-47.400112.4L164 L168 D172 L173 K174 Y178 T179 L180L164-M176 HydrophobicContact CB-CG 4.04Å; L164-M176 HydrophobicContact CD2-CG 4.13Å; L168-M176 HydrophobicContact CB-CE 4.25Å; L168-M176 HydrophobicContact CD1-CE 4.47Å; L168-M176 HydrophobicContact CD2-CE 3.17Å; L168-M176 HydrophobicContact CD2-SD 4.12Å; L168-M176 HydrophobicContact CG-CE 3.34Å; L168-M176 HydrophobicContact CG-SD 3.97Å; D172-M176 PolarHBondContact O-N 3.16Å; D172-M176 VanDerWaalsContact O-N 3.15Å; L173-M176 HydrophobicContact CD1-CE 3.79Å; L173-M176 HydrophobicContact CD1-SD 4.31Å; L173-M176 PolarHBondContact O-N 2.94Å; K174-M176 VanDerWaalsContact C-N 3.31Å; K174-M176 PolarHBondContact O-N 3.43Å; M176-Y178 VanDerWaalsContact C-N 3.33Å; M176-Y178 PolarHBondContact O-N 2.96Å; M176-T179 CarbonylContact O-C 3.57Å; M176-T179 WeakPolarHBondContact O-CB 3.44Å; M176-T179 PolarHBondContact O-N 3.46Å; M176-T179 VanDerWaalsContact O-N 3.15Å; M176-L180 PolarHBondContact O-N 3.01Å
177M91.1Very high87.3Confident89 Ų8956.7 Ų56.744%0.43828%0.276SS..Hα-helixtrans-61.3-42.4174.3-70.3-67.397.300111.7L173 K174 T179 L180 I181L173-M177 WeakPolarHBondContact O-CG 3.26Å; L173-M177 PolarHBondContact O-N 3.39Å; L173-M177 VanDerWaalsContact O-N 3.08Å; K174-M177 PolarHBondContact O-N 2.98Å; M177-T179 VanDerWaalsContact C-N 3.31Å; M177-T179 PolarHBondContact O-N 3.04Å; M177-L180 HydrophobicContact CE-CD2 4.14Å; M177-L180 WeakPolarHBondContact O-CB 3.26Å; M177-L180 PolarHBondContact O-N 3.04Å; M177-I181 WeakPolarHBondContact O-CG1 3.25Å; M177-I181 PolarHBondContact O-N 3.49Å; M177-I181 VanDerWaalsContact O-N 3.08Å
178Y92.5Very high88Confident56 Ų5661.8 Ų61.822%0.2230%0.298CS..Hα-helixtrans-64.5-35.6173.4-76.3-64.6000112.8L109 F110 S113 K174 R175 M176 I181 V182L109-Y178 HydrophobicContact CB-CD1 3.79Å; L109-Y178 HydrophobicContact CB-CD2 3.82Å; L109-Y178 HydrophobicContact CB-CE1 3.7Å; L109-Y178 HydrophobicContact CB-CE2 3.73Å; L109-Y178 HydrophobicContact CB-CG 3.87Å; L109-Y178 HydrophobicContact CD1-CD2 3.75Å; L109-Y178 HydrophobicContact CD1-CE2 3.73Å; L109-Y178 HydrophobicContact CG-CD2 4.44Å; L109-Y178 HydrophobicContact CG-CE2 4.4Å; L109-Y178 WeakPolarHBondContact O-CD1 3.41Å; F110-Y178 HydrophobicContact CB-CE1 4Å; S113-Y178 WeakPolarHBondContact OG-CB 3.4Å; S113-Y178 PolarHBondContact OG-O 3.4Å; K174-Y178 HydrophobicContact CD-CE2 4.34Å; K174-Y178 HydrophobicContact CG-CD2 3.99Å; K174-Y178 HydrophobicContact CG-CE2 3.65Å; K174-Y178 WeakPolarHBondContact O-CD2 3.44Å; K174-Y178 PolarHBondContact O-N 2.78Å; R175-Y178 PolarHBondContact O-N 3.34Å; M176-Y178 VanDerWaalsContact C-N 3.33Å; M176-Y178 PolarHBondContact O-N 2.96Å; Y178-I181 HydrophobicContact CD1-CD1 4.21Å; Y178-I181 WeakPolarHBondContact O-CB 3.29Å; Y178-I181 PolarHBondContact O-N 3.2Å; Y178-V182 WeakPolarHBondContact O-CG2 3.24Å; Y178-V182 PolarHBondContact O-N 2.91Å; Y178-V182 VanDerWaalsContact O-N 3.09Å
179T91.2Very high89Confident1 Ų158.6 Ų58.61%0.00628%0.282CS..Hα-helixtrans-67.2-38.4173.9-53.70000111.4A36 L164 R175 M176 M177 I181 V182 S183A36-T179 HydrophobicContact CB-CG2 4Å; A36-T179 PolarHBondContact N-OG1 3.25Å; A36-T179 VanDerWaalsContact N-OG1 3.08Å; A36-T179 WeakPolarHBondContact O-CG2 3.4Å; L164-T179 HydrophobicContact CD1-CG2 4.11Å; L164-T179 HydrophobicContact CD2-CG2 3.79Å; R175-T179 WeakPolarHBondContact O-CB 3.24Å; R175-T179 PolarHBondContact O-N 3.49Å; R175-T179 PolarHBondContact O-OG1 3.21Å; M176-T179 CarbonylContact O-C 3.57Å; M176-T179 WeakPolarHBondContact O-CB 3.44Å; M176-T179 PolarHBondContact O-N 3.46Å; M176-T179 VanDerWaalsContact O-N 3.15Å; M177-T179 VanDerWaalsContact C-N 3.31Å; M177-T179 PolarHBondContact O-N 3.04Å; T179-I181 VanDerWaalsContact C-N 3.27Å; T179-I181 PolarHBondContact O-N 3.3Å; T179-V182 WeakPolarHBondContact O-CA 3.23Å; T179-V182 VanDerWaalsContact O-CB 3.31Å; T179-V182 WeakPolarHBondContact O-CB 3.38Å; T179-V182 PolarHBondContact O-N 2.89Å; T179-V182 VanDerWaalsContact O-N 3.1Å; T179-S183 PolarHBondContact O-N 2.7Å; T179-S183 PolarHBondContact O-OG 2.98Å
180L93.3Very high90Very high55 Ų5553 Ų5329%0.28825%0.248SC..Hα-helixtrans-62.7-36.2174.9-175.262.6000111.8I161 L164 M176 M177 S183 F184I161-L180 HydrophobicContact CD1-CD1 4.31Å; I161-L180 HydrophobicContact CG1-CD1 3.53Å; L164-L180 HydrophobicContact CD1-CB 4.25Å; L164-L180 HydrophobicContact CD1-CD1 4.3Å; M176-L180 PolarHBondContact O-N 3.01Å; M177-L180 HydrophobicContact CE-CD2 4.14Å; M177-L180 WeakPolarHBondContact O-CB 3.26Å; M177-L180 PolarHBondContact O-N 3.04Å; L180-S183 PolarHBondContact O-N 3.06Å; L180-F184 WeakPolarHBondContact O-CB 3.29Å; L180-F184 PolarHBondContact O-N 2.83Å
181I95.5Very high90.9Very high50 Ų5050.5 Ų50.526%0.25624%0.24SC..Hα-helixtrans-63-45.6171.7-65.5168.5000110.5F110 I114 M177 Y178 T179 S183 F184 V185F110-I181 HydrophobicContact CD2-CD1 4.09Å; F110-I181 HydrophobicContact CE2-CD1 4.25Å; I114-I181 HydrophobicContact CD1-CG2 3.77Å; M177-I181 WeakPolarHBondContact O-CG1 3.25Å; M177-I181 PolarHBondContact O-N 3.49Å; M177-I181 VanDerWaalsContact O-N 3.08Å; Y178-I181 HydrophobicContact CD1-CD1 4.21Å; Y178-I181 WeakPolarHBondContact O-CB 3.29Å; Y178-I181 PolarHBondContact O-N 3.2Å; T179-I181 VanDerWaalsContact C-N 3.27Å; T179-I181 PolarHBondContact O-N 3.3Å; I181-S183 PolarHBondContact O-N 3.26Å; I181-F184 PolarHBondContact O-N 3Å; I181-V185 HydrophobicContact CG2-CG2 4.39Å; I181-V185 WeakPolarHBondContact O-CG2 3.45Å; I181-V185 PolarHBondContact O-N 3.35Å
182V95.4Very high91.7Very high11 Ų1153.2 Ų53.27%0.06726%0.259CS..Hα-helixtrans-54.4-53.4174.5175.60000110.1L35 S113 A116 Y178 T179 F184 V185 F186L35-V182 HydrophobicContact CD1-CG2 3.94Å; S113-V182 WeakPolarHBondContact O-CG2 3.47Å; A116-V182 HydrophobicContact CB-CG1 4.18Å; A116-V182 HydrophobicContact CB-CG2 3.94Å; Y178-V182 WeakPolarHBondContact O-CG2 3.24Å; Y178-V182 PolarHBondContact O-N 2.91Å; Y178-V182 VanDerWaalsContact O-N 3.09Å; T179-V182 WeakPolarHBondContact O-CA 3.23Å; T179-V182 VanDerWaalsContact O-CB 3.31Å; T179-V182 WeakPolarHBondContact O-CB 3.38Å; T179-V182 PolarHBondContact O-N 2.89Å; T179-V182 VanDerWaalsContact O-N 3.1Å; V182-F184 VanDerWaalsContact C-N 3.33Å; V182-F184 PolarHBondContact O-N 3.15Å; V182-V185 PolarHBondContact O-N 2.97Å; V182-F186 WeakPolarHBondContact O-CB 3.4Å; V182-F186 PolarHBondContact O-N 3.33Å
183S95.1Very high92.1Very high5 Ų550.2 Ų50.24%0.03524%0.242CC..Hα-helixtrans-60.9-38.8-179.8-65.10000112.6D160 T179 L180 I181 S187D160-S183 WeakPolarHBondContact OD2-CB 3.44Å; D160-S183 PolarHBondContact OD2-OG 3.1Å; T179-S183 PolarHBondContact O-N 2.7Å; T179-S183 PolarHBondContact O-OG 2.98Å; L180-S183 PolarHBondContact O-N 3.06Å; I181-S183 PolarHBondContact O-N 3.26Å; S183-S187 WeakPolarHBondContact O-CB 3.4Å; S183-S187 PolarHBondContact O-N 3.17Å
184F96.8Very high91.9Very high106 Ų10645.8 Ų45.847%0.46522%0.22SC..Hα-helixtrans-65.7-51176.5-179.8-98.7000111.7L157 L180 I181 V182 F186 S187 K188L157-F184 HydrophobicContact CD1-CB 4.46Å; L157-F184 HydrophobicContact CD2-CD2 4.13Å; L180-F184 WeakPolarHBondContact O-CB 3.29Å; L180-F184 PolarHBondContact O-N 2.83Å; I181-F184 PolarHBondContact O-N 3Å; V182-F184 VanDerWaalsContact C-N 3.33Å; V182-F184 PolarHBondContact O-N 3.15Å; F184-F186 PolarHBondContact O-N 3.49Å; F184-S187 PolarHBondContact O-N 3.35Å; F184-S187 PolarHBondContact O-OG 3.34Å; F184-K188 HydrophobicContact CE1-CG 4.23Å; F184-K188 HydrophobicContact CZ-CG 4.23Å; F184-K188 WeakPolarHBondContact O-CG 3.34Å; F184-K188 PolarHBondContact O-N 3.39Å; F184-K188 VanDerWaalsContact O-N 3.16Å
185V97.6Very high90.9Very high23 Ų2343 Ų4314%0.13922%0.215CC..Hα-helixtrans-61.6-46.9178.2174.90000110.4I114 L118 I181 V182 S187 K188 V189I114-V185 HydrophobicContact CD1-CG2 3.69Å; L118-V185 HydrophobicContact CD2-CG1 4.23Å; L118-V185 HydrophobicContact CG-CG1 4.06Å; I181-V185 HydrophobicContact CG2-CG2 4.39Å; I181-V185 WeakPolarHBondContact O-CG2 3.45Å; I181-V185 PolarHBondContact O-N 3.35Å; V182-V185 PolarHBondContact O-N 2.97Å; V185-S187 VanDerWaalsContact C-N 3.31Å; V185-S187 PolarHBondContact O-N 3.29Å; V185-K188 PolarHBondContact O-N 3Å; V185-K188 VanDerWaalsContact O-N 3.17Å; V185-V189 HydrophobicContact CG1-CG2 4.2Å; V185-V189 VanDerWaalsContact O-CG2 3.28Å; V185-V189 WeakPolarHBondContact O-CG2 3.43Å; V185-V189 PolarHBondContact O-N 3.1Å
186F96.3Very high89.4Confident18 Ų1839.5 Ų39.58%0.07922%0.215CC..Hα-helixtrans-49.9-51.2173.1168.9-100.3000111.4G117 A120 Y128 L156 V182 F184 K188 V189 V190G117-F186 WeakPolarHBondContact O-CA 3.28Å; A120-F186 HydrophobicContact CB-CD2 3.69Å; A120-F186 HydrophobicContact CB-CE2 4.18Å; Y128-F186 HydrophobicContact CE2-CZ 4.47Å; L156-F186 HydrophobicContact CB-CE1 3.98Å; L156-F186 HydrophobicContact CD1-CE1 3.48Å; L156-F186 VanDerWaalsContact CD1-CE1 3.48Å; L156-F186 HydrophobicContact CD1-CZ 3.8Å; L156-F186 HydrophobicContact CG-CE1 4.24Å; V182-F186 WeakPolarHBondContact O-CB 3.4Å; V182-F186 PolarHBondContact O-N 3.33Å; F184-F186 PolarHBondContact O-N 3.49Å; F186-K188 VanDerWaalsContact C-N 3.32Å; F186-K188 PolarHBondContact O-N 2.82Å; F186-V189 PolarHBondContact O-N 2.89Å; F186-V190 HydrophobicContact CD1-CG2 4.35Å; F186-V190 HydrophobicContact CD2-CG2 3.97Å; F186-V190 HydrophobicContact CE1-CG2 4.04Å; F186-V190 HydrophobicContact CE2-CG2 3.63Å; F186-V190 HydrophobicContact CG-CG2 4.32Å; F186-V190 HydrophobicContact CZ-CG2 3.67Å; F186-V190 WeakPolarHBondContact O-CB 3.15Å; F186-V190 VanDerWaalsContact O-CG2 3.3Å; F186-V190 WeakPolarHBondContact O-CG2 3.27Å; F186-V190 PolarHBondContact O-N 3.07Å
187S95.4Very high87.6Confident2 Ų240.8 Ų40.81%0.01423%0.23CC..Hα-helixtrans-59.1-41.4-178.875.30000112.8G153 S183 F184 V185 D191G153-S187 VanDerWaalsContact O-CB 3.27Å; G153-S187 WeakPolarHBondContact O-CB 3.11Å; S183-S187 WeakPolarHBondContact O-CB 3.4Å; S183-S187 PolarHBondContact O-N 3.17Å; F184-S187 PolarHBondContact O-N 3.35Å; F184-S187 PolarHBondContact O-OG 3.34Å; V185-S187 VanDerWaalsContact C-N 3.31Å; V185-S187 PolarHBondContact O-N 3.29Å; S187-D191 WeakPolarHBondContact O-CB 3.49Å; S187-D191 VanDerWaalsContact O-CG 3.31Å; S187-D191 PolarHBondContact O-N 3.45Å
188K95.6Very high85.8Confident109 Ų10941.3 Ų41.347%0.47423%0.228SC..Hα-helixtrans-69.4-42.9179.7-63.9-56.4-179.9-1740111.9F184 V185 F186 D191 V192F184-K188 HydrophobicContact CE1-CG 4.23Å; F184-K188 HydrophobicContact CZ-CG 4.23Å; F184-K188 WeakPolarHBondContact O-CG 3.34Å; F184-K188 PolarHBondContact O-N 3.39Å; F184-K188 VanDerWaalsContact O-N 3.16Å; V185-K188 PolarHBondContact O-N 3Å; V185-K188 VanDerWaalsContact O-N 3.17Å; F186-K188 VanDerWaalsContact C-N 3.32Å; F186-K188 PolarHBondContact O-N 2.82Å; K188-D191 PolarHBondContact O-N 3.16Å; K188-V192 VanDerWaalsContact O-CG2 3.28Å; K188-V192 WeakPolarHBondContact O-CG2 3.2Å; K188-V192 PolarHBondContact O-N 2.89Å; K188-V192 VanDerWaalsContact O-N 3.07Å
189V96Very high84.3Confident19 Ų1942.1 Ų42.112%0.11525%0.246CC..Hα-helixtrans-67.2-43.1178.6178.60000110.5L118 F122 V185 F186 V192 L193L118-V189 HydrophobicContact CD2-CG2 3.85Å; F122-V189 HydrophobicContact CD2-CG1 3.79Å; F122-V189 HydrophobicContact CE2-CG1 4.06Å; F122-V189 HydrophobicContact CG-CG1 4.03Å; V185-V189 HydrophobicContact CG1-CG2 4.2Å; V185-V189 VanDerWaalsContact O-CG2 3.28Å; V185-V189 WeakPolarHBondContact O-CG2 3.43Å; V185-V189 PolarHBondContact O-N 3.1Å; F186-V189 PolarHBondContact O-N 2.89Å; V189-V192 PolarHBondContact O-N 2.86Å; V189-L193 HydrophobicContact CG1-CD1 3.77Å; V189-L193 HydrophobicContact CG1-CG 4.48Å; V189-L193 WeakPolarHBondContact O-CB 3.49Å; V189-L193 WeakPolarHBondContact O-CG 3.33Å; V189-L193 PolarHBondContact O-N 2.8Å
190V93.7Very high83.7Confident0 Ų042.3 Ų42.30%025%0.248CC..Hα-helixtrans-57.4-53173.61650000110Y128 M152 F186 V192 L193 S194Y128-V190 HydrophobicContact CD2-CG1 3.66Å; Y128-V190 HydrophobicContact CD2-CG2 4.42Å; Y128-V190 HydrophobicContact CE2-CG1 3.83Å; Y128-V190 HydrophobicContact CE2-CG2 4.05Å; M152-V190 HydrophobicContact CB-CG1 3.71Å; F186-V190 HydrophobicContact CD1-CG2 4.35Å; F186-V190 HydrophobicContact CD2-CG2 3.97Å; F186-V190 HydrophobicContact CE1-CG2 4.04Å; F186-V190 HydrophobicContact CE2-CG2 3.63Å; F186-V190 HydrophobicContact CG-CG2 4.32Å; F186-V190 HydrophobicContact CZ-CG2 3.67Å; F186-V190 WeakPolarHBondContact O-CB 3.15Å; F186-V190 VanDerWaalsContact O-CG2 3.3Å; F186-V190 WeakPolarHBondContact O-CG2 3.27Å; F186-V190 PolarHBondContact O-N 3.07Å; V190-V192 VanDerWaalsContact C-N 3.26Å; V190-V192 PolarHBondContact O-N 3.13Å; V190-L193 PolarHBondContact O-N 2.98Å; V190-S194 VanDerWaalsContact O-CB 3.24Å; V190-S194 WeakPolarHBondContact O-CB 3.32Å; V190-S194 PolarHBondContact O-N 3.27Å; V190-S194 PolarHBondContact O-OG 2.92Å
191D89.5Confident83.4Confident30 Ų3040.3 Ų40.316%0.1624%0.237CC..Hα-helixtrans-57.3-42.2-178.4-79.5-7.2000111.5T151 G153 S187 K188 L193 S195T151-D191 WeakPolarHBondContact CB-OD1 3.37Å; T151-D191 PolarHBondContact OG1-OD1 2.65Å; T151-D191 PolarHBondContact OG1-OD2 3.23Å; G153-D191 WeakPolarHBondContact CA-OD1 3.38Å; G153-D191 PolarHBondContact N-OD1 2.75Å; S187-D191 WeakPolarHBondContact O-CB 3.49Å; S187-D191 VanDerWaalsContact O-CG 3.31Å; S187-D191 PolarHBondContact O-N 3.45Å; K188-D191 PolarHBondContact O-N 3.16Å; D191-L193 PolarHBondContact O-N 2.94Å; D191-S195 WeakPolarHBondContact O-CB 3.49Å; D191-S195 PolarHBondContact O-N 3.27Å; D191-S195 VanDerWaalsContact O-N 3.13Å; D191-S195 PolarHBondContact O-OG 3.41Å
192V88Confident83.3Confident109 Ų10938 Ų3866%0.66123%0.225SC*.Hα-helixtrans-63.9-40.1177.4170.60000112.1K188 V189 V190K188-V192 VanDerWaalsContact O-CG2 3.28Å; K188-V192 WeakPolarHBondContact O-CG2 3.2Å; K188-V192 PolarHBondContact O-N 2.89Å; K188-V192 VanDerWaalsContact O-N 3.07Å; V189-V192 PolarHBondContact O-N 2.86Å; V190-V192 VanDerWaalsContact C-N 3.26Å; V190-V192 PolarHBondContact O-N 3.13Å
193L88.8Confident83.3Confident28 Ų2837.5 Ų37.515%0.14722%0.222CC..Hα-helixtrans-84.8-40.1-176.5-69172.4000113.6F122 R129 V189 V190 D191F122-L193 HydrophobicContact CB-CD1 4.33Å; F122-L193 HydrophobicContact CD1-CD1 3.57Å; F122-L193 HydrophobicContact CD1-CD2 4.45Å; F122-L193 HydrophobicContact CE1-CD1 4.08Å; F122-L193 HydrophobicContact CE1-CD2 4.34Å; F122-L193 HydrophobicContact CG-CD1 4.08Å; R129-L193 VanDerWaalsContact CD-O 3.26Å; R129-L193 WeakPolarHBondContact CD-O 3.5Å; V189-L193 HydrophobicContact CG1-CD1 3.77Å; V189-L193 HydrophobicContact CG1-CG 4.48Å; V189-L193 WeakPolarHBondContact O-CB 3.49Å; V189-L193 WeakPolarHBondContact O-CG 3.33Å; V189-L193 PolarHBondContact O-N 2.8Å; V190-L193 PolarHBondContact O-N 2.98Å; D191-L193 PolarHBondContact O-N 2.94Å
194S79.5Confident83.4Confident12 Ų1239.4 Ų39.48%0.08423%0.231CC..Hα-helixtrans-81.8-38.1-173.777.10000112.4V190 G196V190-S194 VanDerWaalsContact O-CB 3.24Å; V190-S194 WeakPolarHBondContact O-CB 3.32Å; V190-S194 PolarHBondContact O-N 3.27Å; V190-S194 PolarHBondContact O-OG 2.92Å; S194-G196 PolarHBondContact O-N 2.88Å; S194-G196 VanDerWaalsContact O-N 3.07Å
195S66.4Low83.5Confident60 Ų6034.4 Ų34.442%0.4221%0.209SC..THydrogen-bonded Turntrans-65.8-10.1176.369.20000112.6D191 G197D191-S195 WeakPolarHBondContact O-CB 3.49Å; D191-S195 PolarHBondContact O-N 3.27Å; D191-S195 VanDerWaalsContact O-N 3.13Å; D191-S195 PolarHBondContact O-OG 3.41Å; S195-G197 PolarHBondContact O-N 2.82Å; S195-G197 VanDerWaalsContact O-N 3.13Å
196G53.1Low83.4Confident41 Ų4135.5 Ų35.542%0.42321%0.214SC..THydrogen-bonded Turntrans51.340.7178.200000111.5S194 Y198S194-G196 PolarHBondContact O-N 2.88Å; S194-G196 VanDerWaalsContact O-N 3.07Å; G196-Y198 PolarHBondContact O-N 2.84Å
197G49.4Very low83.3Confident33 Ų3335 Ų3534%0.3421%0.212SC..SBendtrans34.677.4179.200000114.4S195S195-G197 PolarHBondContact O-N 2.82Å; S195-G197 VanDerWaalsContact O-N 3.13Å
198Y53.9Low83.2Confident99 Ų9940.6 Ų40.639%0.38824%0.242SC..  trans40.486.8178.4-59.2-76.5000113G196 A200 N271 H273G196-Y198 PolarHBondContact O-N 2.84Å; Y198-A200 PolarHBondContact O-N 3.25Å; Y198-N271 HydrophobicContact CD1-CB 3.74Å; Y198-N271 HydrophobicContact CD2-CB 4.13Å; Y198-N271 HydrophobicContact CE1-CB 3.87Å; Y198-N271 HydrophobicContact CE2-CB 4.26Å; Y198-N271 WeakPolarHBondContact CE2-ND2 3.41Å; Y198-N271 HydrophobicContact CG-CB 3.86Å; Y198-H273 AromaticContact CE1-CE1 3.64Å; Y198-H273 AromaticContact CE1-ND1 3.85Å
199A60.9Low83.1Confident74 Ų7440 Ų4061%0.61224%0.241SC*.SBendtrans-52.2-33-175.500000112.8S247 Q248A199-S247 CarbonylContact O-C 3.5Å; A199-S247 WeakPolarHBondContact O-CA 2.9Å; A199-S247 WeakPolarHBondContact O-CB 3.49Å; A199-Q248 PolarHBondContact O-N 3.27Å; A199-Q248 VanDerWaalsContact O-N 3.13Å
200A77.4Confident83.1Confident5 Ų539.3 Ų39.34%0.04124%0.237CC..EExtended strand (participates in β ladder)trans-116.6149.4178.300000113.1Y198 V245 V246 V272 V275 F280Y198-A200 PolarHBondContact O-N 3.25Å; A200-V245 HydrophobicContact CB-CG1 3.97Å; A200-V246 CarbonylContact C-O 3.4Å; A200-V246 WeakPolarHBondContact CA-O 3.4Å; A200-V272 HydrophobicContact CB-CB 4.02Å; A200-V272 HydrophobicContact CB-CG1 4.15Å; A200-V272 PolarHBondContact O-N 3.31Å; A200-V272 VanDerWaalsContact O-N 3.14Å; A200-V275 HydrophobicContact CB-CB 4.37Å; A200-V275 HydrophobicContact CB-CG1 3.52Å; A200-F280 HydrophobicContact CB-CD1 4.42Å; A200-F280 HydrophobicContact CB-CE1 3.82Å; A200-F280 HydrophobicContact CB-CZ 4.4Å
201K87.3Confident83.2Confident13 Ų1342.6 Ų42.66%0.05726%0.255CS..EExtended strand (participates in β ladder)trans-138.8128.2-176.3-61.9-71.7-168.2179.40108.3V245 V246 Q248 I251 I269 S270 N271K201-V245 WeakPolarHBondContact O-CA 3.46Å; K201-V246 HydrophobicContact CB-CG2 4.36Å; K201-V246 PolarHBondContact N-O 2.95Å; K201-V246 PolarHBondContact O-N 3.37Å; K201-Q248 HydrophobicContact CG-CB 4.49Å; K201-I251 HydrophobicContact CB-CD1 3.94Å; K201-I251 HydrophobicContact CB-CG1 4.36Å; K201-I251 HydrophobicContact CD-CD1 4.15Å; K201-I251 HydrophobicContact CG-CD1 3.55Å; K201-I251 HydrophobicContact CG-CG1 4.35Å; K201-I269 HydrophobicContact CB-CG2 4.33Å; K201-I269 HydrophobicContact CD-CG2 4.42Å; K201-S270 CarbonylContact C-O 3.6Å; K201-S270 VanDerWaalsContact CA-O 3.32Å; K201-S270 WeakPolarHBondContact CA-O 3.07Å; K201-N271 PolarHBondContact NZ-OD1 3.47Å
202G92.9Very high83.5Confident1 Ų144.1 Ų44.11%0.0127%0.265CS..EExtended strand (participates in β ladder)trans-82.3123.5169.800000107.8I269 S270G202-I269 CarbonylContact O-C 3.55Å; G202-I269 WeakPolarHBondContact O-CA 3.09Å; G202-S270 PolarHBondContact N-O 3.42Å; G202-S270 PolarHBondContact O-N 2.55Å
203V96.1Very high83.9Confident1 Ų138.9 Ų38.91%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-113.6116.9175.6-174.20000107.4I205 Y243 I244 V246 V254 I267 L268 I269V203-I205 HydrophobicContact CG1-CD1 4.35Å; V203-I205 HydrophobicContact CG1-CG1 3.87Å; V203-Y243 WeakPolarHBondContact O-CA 3.27Å; V203-I244 HydrophobicContact CB-CG2 3.84Å; V203-I244 PolarHBondContact N-O 3.15Å; V203-I244 PolarHBondContact O-N 3.23Å; V203-V246 HydrophobicContact CG2-CG2 3.72Å; V203-V254 HydrophobicContact CG1-CG1 4.11Å; V203-I267 HydrophobicContact CG1-CG2 3.69Å; V203-L268 CarbonylContact C-O 3.59Å; V203-L268 WeakPolarHBondContact CA-O 3.28Å; V203-I269 HydrophobicContact CG1-CG1 4.46Å; V203-I269 HydrophobicContact CG2-CG1 4.4Å
204M97.6Very high84.3Confident45 Ų4537.6 Ų37.622%0.22223%0.226CC..EExtended strand (participates in β ladder)trans-106.8124.1174.9-176.5-179.776.800108.5I206 I241 V242 Y243 L268M204-I206 HydrophobicContact CE-CD1 4.26Å; M204-I241 HydrophobicContact CG-CG2 3.28Å; M204-I241 HydrophobicContact SD-CG2 3.98Å; M204-V242 CarbonylContact C-O 3.59Å; M204-V242 WeakPolarHBondContact CA-O 3.36Å; M204-Y243 HydrophobicContact CB-CD2 4.12Å; M204-L268 HydrophobicContact CB-CB 4.19Å; M204-L268 HydrophobicContact CE-CB 4.02Å; M204-L268 HydrophobicContact CE-CD2 3.52Å; M204-L268 HydrophobicContact CE-CG 4.4Å; M204-L268 PolarHBondContact N-O 3.42Å; M204-L268 PolarHBondContact O-N 3.25Å
205I97.8Very high85.1Confident0 Ų043 Ų430%025%0.25CS..EExtended strand (participates in β ladder)trans-120.2118.6-170.7-47.2160.4000107.6V203 I213 L217 I241 V242 I244 I258 A265V203-I205 HydrophobicContact CG1-CD1 4.35Å; V203-I205 HydrophobicContact CG1-CG1 3.87Å; I205-I213 HydrophobicContact CD1-CG2 4.02Å; I205-I213 HydrophobicContact CG2-CD1 4.32Å; I205-I213 HydrophobicContact CG2-CG2 4.41Å; I205-L217 HydrophobicContact CD1-CD1 3.52Å; I205-I241 WeakPolarHBondContact O-CA 3.35Å; I205-I241 WeakPolarHBondContact O-CG2 3.22Å; I205-V242 HydrophobicContact CB-CB 4.15Å; I205-V242 HydrophobicContact CD1-CB 4.17Å; I205-V242 HydrophobicContact CD1-CG1 4.18Å; I205-V242 PolarHBondContact N-O 3.21Å; I205-V242 PolarHBondContact O-N 3.21Å; I205-I244 HydrophobicContact CD1-CG2 4.44Å; I205-I258 HydrophobicContact CD1-CD1 3.51Å; I205-I258 HydrophobicContact CD1-CG1 3.97Å; I205-I258 HydrophobicContact CG1-CD1 3.69Å; I205-I258 HydrophobicContact CG1-CG1 4.47Å; I205-I258 HydrophobicContact CG2-CD1 4.08Å; I205-I258 HydrophobicContact CG2-CG1 4.26Å; I205-I258 HydrophobicContact CG2-CG2 4.15Å; I205-A265 HydrophobicContact CG2-CB 4.48Å
206I95.4Very high86.5Confident46 Ų4642.8 Ų42.824%0.23624%0.244CC..EExtended strand (participates in β ladder)trans-109.6112175.8-49.6177.3000107.2M204 K239 I241 F266M204-I206 HydrophobicContact CE-CD1 4.26Å; I206-K239 HydrophobicContact CG2-CD 4.12Å; I206-I241 HydrophobicContact CG1-CD1 4.37Å; I206-I241 HydrophobicContact CG1-CG1 4.15Å; I206-I241 HydrophobicContact CG1-CG2 4.02Å; I206-F266 HydrophobicContact CB-CB 4.23Å; I206-F266 HydrophobicContact CD1-CD1 3.94Å; I206-F266 HydrophobicContact CG1-CD1 4.41Å; I206-F266 PolarHBondContact N-O 2.98Å; I206-F266 PolarHBondContact O-N 2.79Å
207S94.8Very high88.5Confident7 Ų740.8 Ų40.85%0.04922%0.224CC..  trans-148.5161.1-179.3174.10000109.5E209 S210 D262S207-E209 VanDerWaalsContact C-N 3.29Å; S207-E209 PolarHBondContact OG-N 3.13Å; S207-S210 PolarHBondContact O-OG 3.13Å; S207-D262 WeakPolarHBondContact CB-OD2 3.41Å; S207-D262 PolarHBondContact OG-OD2 2.64Å
208N92.2Very high90.6Very high121 Ų12142.8 Ų42.865%0.64723%0.225SC*.SBendtrans-78.3-20.1167.7-66.8-16.6000111.4K239N208-K239 PolarHBondContact OD1-NZ 2.98Å
209E95Very high92.4Very high96 Ų9641.5 Ų41.545%0.44924%0.235SC..  trans-99.428.3-179.7-60.1-60.4160.700112.6S207 N211 V212 I213 V261S207-E209 VanDerWaalsContact C-N 3.29Å; S207-E209 PolarHBondContact OG-N 3.13Å; E209-N211 PolarHBondContact O-N 3.42Å; E209-N211 VanDerWaalsContact O-N 3.14Å; E209-V212 PolarHBondContact O-N 3.31Å; E209-V212 VanDerWaalsContact O-N 3.16Å; E209-I213 WeakPolarHBondContact O-CG1 3.42Å; E209-I213 PolarHBondContact O-N 3.15Å; E209-V261 HydrophobicContact CB-CG1 3.66Å; E209-V261 HydrophobicContact CG-CG1 4.2Å
210S95Very high93.7Very high4 Ų441.5 Ų41.53%0.02822%0.222CC..Hα-helixtrans-55.7-33.6-174.3-72.30000114.6S207 A214 R240 V242S207-S210 PolarHBondContact O-OG 3.13Å; S210-A214 WeakPolarHBondContact O-CB 3.34Å; S210-A214 PolarHBondContact O-N 3.05Å; S210-R240 VanDerWaalsContact CB-O 3.25Å; S210-R240 WeakPolarHBondContact CB-O 3.45Å; S210-R240 PolarHBondContact OG-O 2.54Å; S210-V242 VanDerWaalsContact O-CG2 3.28Å; S210-V242 WeakPolarHBondContact O-CG2 3.43Å
211N95.6Very high94.2Very high69 Ų6941.7 Ų41.737%0.36922%0.223SC..Hα-helixtrans-67.4-47.9179.1-61.9-35.3000111E209 I213 A214 E215 R240E209-N211 PolarHBondContact O-N 3.42Å; E209-N211 VanDerWaalsContact O-N 3.14Å; N211-I213 PolarHBondContact O-N 3.07Å; N211-A214 PolarHBondContact O-N 2.63Å; N211-E215 WeakPolarHBondContact O-CG 3.21Å; N211-E215 PolarHBondContact O-N 2.77Å; N211-R240 PolarHBondContact OD1-NH1 3.12Å
212V96.6Very high94Very high62 Ų6245.5 Ų45.538%0.37624%0.24SC..Hα-helixtrans-63.8-43.6179.7-1780000110.7E209 A214 E215 L216 V261E209-V212 PolarHBondContact O-N 3.31Å; E209-V212 VanDerWaalsContact O-N 3.16Å; V212-A214 PolarHBondContact O-N 2.69Å; V212-E215 PolarHBondContact O-N 3.11Å; V212-L216 HydrophobicContact CG1-CD1 4.23Å; V212-L216 WeakPolarHBondContact O-CG 3.34Å; V212-L216 PolarHBondContact O-N 3.01Å; V212-V261 HydrophobicContact CB-CG1 4.12Å; V212-V261 HydrophobicContact CG1-CG1 3.9Å; V212-V261 HydrophobicContact CG1-CG2 4.15Å
213I97.2Very high93.6Very high0 Ų046.7 Ų46.70%025%0.245CC..Hα-helixtrans-59.8-47.7176.5-68.2168.2000110.7I205 E209 N211 L216 L217 I258 V261 D262I205-I213 HydrophobicContact CD1-CG2 4.02Å; I205-I213 HydrophobicContact CG2-CD1 4.32Å; I205-I213 HydrophobicContact CG2-CG2 4.41Å; E209-I213 WeakPolarHBondContact O-CG1 3.42Å; E209-I213 PolarHBondContact O-N 3.15Å; N211-I213 PolarHBondContact O-N 3.07Å; I213-L216 PolarHBondContact O-N 3.2Å; I213-L217 HydrophobicContact CG2-CD1 3.68Å; I213-L217 HydrophobicContact CG2-CG 4.26Å; I213-L217 WeakPolarHBondContact O-CB 3.37Å; I213-L217 VanDerWaalsContact O-CG 3.23Å; I213-L217 WeakPolarHBondContact O-CG 3.38Å; I213-L217 PolarHBondContact O-N 2.72Å; I213-I258 HydrophobicContact CD1-CG2 4.24Å; I213-I258 HydrophobicContact CG2-CG1 3.87Å; I213-V261 HydrophobicContact CG1-CB 3.96Å; I213-V261 HydrophobicContact CG1-CG1 3.99Å; I213-V261 HydrophobicContact CG1-CG2 4.32Å; I213-D262 HydrophobicContact CD1-CB 4.43Å
214A96.6Very high93.3Very high0 Ų049.8 Ų49.80%028%0.277CS..Hα-helixtrans-60.5-45.7179.800000112.5S210 N211 V212 L217 M218 V225 Y227 V242S210-A214 WeakPolarHBondContact O-CB 3.34Å; S210-A214 PolarHBondContact O-N 3.05Å; N211-A214 PolarHBondContact O-N 2.63Å; V212-A214 PolarHBondContact O-N 2.69Å; A214-L217 PolarHBondContact O-N 2.88Å; A214-M218 WeakPolarHBondContact O-CB 3.12Å; A214-M218 WeakPolarHBondContact O-CG 3.32Å; A214-M218 PolarHBondContact O-N 2.61Å; A214-V225 HydrophobicContact CB-CG2 3.8Å; A214-Y227 HydrophobicContact CB-CE1 3.69Å; A214-Y227 WeakPolarHBondContact CB-OH 3.38Å; A214-V242 HydrophobicContact CB-CG1 4.14Å; A214-V242 HydrophobicContact CB-CG2 4.04Å
215E95.8Very high93.1Very high126 Ų12648.7 Ų48.759%0.58927%0.273SS*.Hα-helixtrans-60.6-45.8177-73.9175.8-167.700112.1N211 V212 L217 M218 A219N211-E215 WeakPolarHBondContact O-CG 3.21Å; N211-E215 PolarHBondContact O-N 2.77Å; V212-E215 PolarHBondContact O-N 3.11Å; E215-L217 PolarHBondContact O-N 2.97Å; E215-M218 PolarHBondContact O-N 3.14Å; E215-A219 VanDerWaalsContact O-CB 3.32Å; E215-A219 WeakPolarHBondContact O-CB 3.21Å; E215-A219 PolarHBondContact O-N 3.47Å
216L95.6Very high93Very high55 Ų5552.7 Ų52.729%0.28830%0.297SS..Hα-helixtrans-64-42.4177.3-70.7174.9000111.6V212 I213 A219 H220 I257 V261V212-L216 HydrophobicContact CG1-CD1 4.23Å; V212-L216 WeakPolarHBondContact O-CG 3.34Å; V212-L216 PolarHBondContact O-N 3.01Å; I213-L216 PolarHBondContact O-N 3.2Å; L216-A219 PolarHBondContact O-N 3.26Å; L216-H220 VanDerWaalsContact O-CB 3.32Å; L216-H220 WeakPolarHBondContact O-CB 3.42Å; L216-H220 PolarHBondContact O-N 2.93Å; L216-H220 PolarHBondContact O-ND1 3.46Å; L216-I257 HydrophobicContact CB-CG2 3.66Å; L216-I257 HydrophobicContact CD1-CG2 4.25Å; L216-V261 HydrophobicContact CD1-CG2 3.44Å; L216-V261 VanDerWaalsContact CD1-CG2 3.44Å
217L95.3Very high93.1Very high0 Ų054 Ų540%030%0.299CS..Hα-helixtrans-63.7-45.5177.6-71.3172.1000111.7I205 I213 A214 E215 A219 H220 L221 V225 I244 V254 I257I205-L217 HydrophobicContact CD1-CD1 3.52Å; I213-L217 HydrophobicContact CG2-CD1 3.68Å; I213-L217 HydrophobicContact CG2-CG 4.26Å; I213-L217 WeakPolarHBondContact O-CB 3.37Å; I213-L217 VanDerWaalsContact O-CG 3.23Å; I213-L217 WeakPolarHBondContact O-CG 3.38Å; I213-L217 PolarHBondContact O-N 2.72Å; A214-L217 PolarHBondContact O-N 2.88Å; E215-L217 PolarHBondContact O-N 2.97Å; L217-A219 VanDerWaalsContact C-N 3.35Å; L217-A219 PolarHBondContact O-N 3.34Å; L217-H220 PolarHBondContact O-N 2.95Å; L217-L221 HydrophobicContact CD2-CD1 3.78Å; L217-L221 VanDerWaalsContact O-CB 3.31Å; L217-L221 WeakPolarHBondContact O-CB 3.32Å; L217-L221 PolarHBondContact O-N 3.43Å; L217-V225 HydrophobicContact CB-CG1 4.4Å; L217-I244 HydrophobicContact CB-CD1 4.28Å; L217-I244 HydrophobicContact CD1-CG2 4.48Å; L217-V254 HydrophobicContact CD2-CB 4.27Å; L217-V254 HydrophobicContact CD2-CG1 4.03Å; L217-V254 HydrophobicContact CD2-CG2 4.12Å; L217-I257 HydrophobicContact CD2-CB 4.16Å; L217-I257 HydrophobicContact CD2-CD1 4.01Å; L217-I257 HydrophobicContact CD2-CG2 4.02Å; L217-I257 HydrophobicContact CG-CG2 4.25Å
218M93.9Very high93.1Very high75 Ų7557.1 Ų57.137%0.36932%0.316SS..Hα-helixtrans-60.4-44.3176.8-73.3-172-74.200111.6A214 E215 E222 R223 V225A214-M218 WeakPolarHBondContact O-CB 3.12Å; A214-M218 WeakPolarHBondContact O-CG 3.32Å; A214-M218 PolarHBondContact O-N 2.61Å; E215-M218 PolarHBondContact O-N 3.14Å; M218-E222 WeakPolarHBondContact O-CA 3.32Å; M218-E222 PolarHBondContact O-N 2.96Å; M218-E222 VanDerWaalsContact O-N 3.12Å; M218-R223 WeakPolarHBondContact CA-O 3.31Å; M218-R223 WeakPolarHBondContact CG-O 3.5Å; M218-V225 HydrophobicContact CE-CG2 3.99Å; M218-V225 HydrophobicContact CG-CB 4.38Å; M218-V225 HydrophobicContact CG-CG1 3.87Å; M218-V225 HydrophobicContact CG-CG2 3.78Å; M218-V225 HydrophobicContact SD-CG2 3.72Å
219A91.2Very high93.2Very high71 Ų7158.3 Ų58.359%0.58732%0.317SS*.Hα-helixtrans-70.1-36.1-178.700000113.6E215 L216 L217E215-A219 VanDerWaalsContact O-CB 3.32Å; E215-A219 WeakPolarHBondContact O-CB 3.21Å; E215-A219 PolarHBondContact O-N 3.47Å; L216-A219 PolarHBondContact O-N 3.26Å; L217-A219 VanDerWaalsContact C-N 3.35Å; L217-A219 PolarHBondContact O-N 3.34Å
220H89.4Confident93.1Very high74 Ų7454.9 Ų54.934%0.34331%0.308SS..Hα-helixtrans-88.9-37.5-175-7280.4000113.4L216 L217 I257 F290L216-H220 VanDerWaalsContact O-CB 3.32Å; L216-H220 WeakPolarHBondContact O-CB 3.42Å; L216-H220 PolarHBondContact O-N 2.93Å; L216-H220 PolarHBondContact O-ND1 3.46Å; L217-H220 PolarHBondContact O-N 2.95Å; H220-I257 HydrophobicContact CB-CD1 3.83Å; H220-F290 AromaticContact CD2-CD2 3.83Å
221L87Confident93Very high10 Ų1060.4 Ų60.45%0.05233%0.333CS..Hα-helixtrans-96.9-10.6-175.8-59173.1000112.8L217 R223 I244 V246 E250 E253 V254L217-L221 HydrophobicContact CD2-CD1 3.78Å; L217-L221 VanDerWaalsContact O-CB 3.31Å; L217-L221 WeakPolarHBondContact O-CB 3.32Å; L217-L221 PolarHBondContact O-N 3.43Å; L221-R223 HydrophobicContact CB-CB 4.22Å; L221-R223 HydrophobicContact CB-CG 4.11Å; L221-R223 PolarHBondContact O-N 3.47Å; L221-I244 HydrophobicContact CD1-CD1 4.06Å; L221-V246 HydrophobicContact CD1-CG1 4.2Å; L221-E250 HydrophobicContact CD2-CB 4.42Å; L221-E250 HydrophobicContact CD2-CG 4.27Å; L221-E253 HydrophobicContact CD2-CG 4.27Å; L221-V254 HydrophobicContact CD1-CG2 3.52Å
222E83.2Confident92.7Very high92 Ų9258 Ų5843%0.4332%0.324SS..  trans53.440.7-173.7-62.6179.2-17700110.9M218 P285 R288M218-E222 WeakPolarHBondContact O-CA 3.32Å; M218-E222 PolarHBondContact O-N 2.96Å; M218-E222 VanDerWaalsContact O-N 3.12Å; E222-P285 HydrophobicContact CB-CB 3.5Å; E222-P285 VanDerWaalsContact CB-CB 3.5Å; E222-P285 HydrophobicContact CB-CG 3.8Å; E222-P285 HydrophobicContact CG-CB 4.23Å; E222-P285 WeakPolarHBondContact OE2-CB 3.36Å; E222-R288 IonicContact OE1-NE 3.22Å
223R84.1Confident92.4Very high26 Ų2659.2 Ų59.210%0.09835%0.349CS..  trans-122.5136.6-178.1-74.1176.3179.6-75.7-2.9110.6M218 L221 I244 V245 E250M218-R223 WeakPolarHBondContact CA-O 3.31Å; M218-R223 WeakPolarHBondContact CG-O 3.5Å; L221-R223 HydrophobicContact CB-CB 4.22Å; L221-R223 HydrophobicContact CB-CG 4.11Å; L221-R223 PolarHBondContact O-N 3.47Å; R223-I244 HydrophobicContact CB-CD1 3.99Å; R223-I244 HydrophobicContact CB-CG1 4.43Å; R223-V245 PolarHBondContact NH1-O 3.43Å; R223-E250 IonicContact CZ-OE1 3.53Å; R223-E250 IonicContact CZ-OE2 3.23Å; R223-E250 VanDerWaalsContact CZ-OE2 3.23Å; R223-E250 IonicContact NE-OE1 3.05Å; R223-E250 PolarHBondContact NE-OE1 3.34Å; R223-E250 IonicContact NE-OE2 3.11Å; R223-E250 PolarHBondContact NE-OE2 3.38Å; R223-E250 VanDerWaalsContact NE-OE2 3.11Å; R223-E250 IonicContact NH2-OE1 3.15Å; R223-E250 PolarHBondContact NH2-OE1 2.92Å; R223-E250 VanDerWaalsContact NH2-OE1 3.15Å; R223-E250 IonicContact NH2-OE2 2.77Å; R223-E250 PolarHBondContact NH2-OE2 3.05Å
224G90Very high92Very high66 Ų6669.1 Ų69.168%0.6839%0.393SS*.  trans-63.6145.3169.100000111.7
225V94Very high91.6Very high22 Ų2271.7 Ų71.713%0.13341%0.411CS..  trans-121.8148.5172-55.50000109.3A214 L217 M218 V242 I244A214-V225 HydrophobicContact CB-CG2 3.8Å; L217-V225 HydrophobicContact CB-CG1 4.4Å; M218-V225 HydrophobicContact CE-CG2 3.99Å; M218-V225 HydrophobicContact CG-CB 4.38Å; M218-V225 HydrophobicContact CG-CG1 3.87Å; M218-V225 HydrophobicContact CG-CG2 3.78Å; M218-V225 HydrophobicContact SD-CG2 3.72Å; V225-V242 HydrophobicContact CB-CG1 3.98Å; V225-V242 HydrophobicContact CG1-CG1 4.28Å; V225-V242 HydrophobicContact CG2-CG1 4.37Å; V225-I244 HydrophobicContact CG1-CB 3.99Å; V225-I244 HydrophobicContact CG1-CD1 3.81Å; V225-I244 HydrophobicContact CG1-CG1 3.97Å
226T95.2Very high91.3Very high84 Ų8469.6 Ų69.652%0.51541%0.41SS..EExtended strand (participates in β ladder)trans-114131.1177-59.30000109.1L228 Y243T226-L228 HydrophobicContact CG2-CD2 4.33Å; T226-Y243 PolarHBondContact N-O 2.97Å; T226-Y243 PolarHBondContact O-N 2.74Å
227Y97.1Very high91.1Very high73 Ų7372 Ų7229%0.28642%0.42SS..EExtended strand (participates in β ladder)trans-86122.4170.8-63.5-73.9000110.3A214 R240 I241 V242A214-Y227 HydrophobicContact CB-CE1 3.69Å; A214-Y227 WeakPolarHBondContact CB-OH 3.38Å; Y227-R240 HydrophobicContact CD1-CB 4.36Å; Y227-I241 CarbonylContact C-O 3.59Å; Y227-I241 WeakPolarHBondContact CA-O 3.38Å; Y227-V242 HydrophobicContact CD1-CG2 4.24Å; Y227-V242 HydrophobicContact CE1-CG2 4.03Å
228L96.1Very high91Very high74 Ų7479.3 Ų79.339%0.38746%0.458SS..EExtended strand (participates in β ladder)trans-96.9134166.3-53.2176.1000108.1T226 I241T226-L228 HydrophobicContact CG2-CD2 4.33Å; L228-I241 HydrophobicContact CB-CB 4.17Å; L228-I241 PolarHBondContact N-O 3.06Å; L228-I241 PolarHBondContact O-N 3.04Å
229H94.2Very high90.8Very high145 Ų14578.1 Ų78.167%0.67145%0.451SS*.EExtended strand (participates in β ladder)trans-97.1123177.8-63.280.3000108.2
230G91.9Very high91Very high25 Ų2580.5 Ų80.526%0.25844%0.444SS..EExtended strand (participates in β ladder)trans-137173.3179.200000111.5K239G230-K239 PolarHBondContact N-O 2.82Å; G230-K239 PolarHBondContact O-N 2.78Å
231E92.5Very high91.3Very high120 Ų12078.1 Ų78.156%0.56143%0.434SS*.EExtended strand (participates in β ladder)trans-126136.7175.5-170-176151.500109G233 S236 E237 L238E231-G233 PolarHBondContact O-N 2.97Å; E231-S236 VanDerWaalsContact OE1-CA 3.26Å; E231-S236 WeakPolarHBondContact OE1-CA 3.34Å; E231-S236 WeakPolarHBondContact OE1-CB 3.48Å; E231-S236 PolarHBondContact OE1-OG 2.91Å; E231-E237 WeakPolarHBondContact CA-O 3.44Å; E231-L238 HydrophobicContact CB-CD2 4.47Å
232G90.1Very high91.8Very high18 Ų1877.7 Ų77.719%0.18643%0.432CS..  trans-68.3119.9175.500000110.8F234 S235 S236 E237G232-F234 PolarHBondContact O-N 3.42Å; G232-F234 VanDerWaalsContact O-N 3.11Å; G232-S235 PolarHBondContact O-N 3.17Å; G232-S236 VanDerWaalsContact O-CA 3.3Å; G232-S236 WeakPolarHBondContact O-CA 3.49Å; G232-S236 PolarHBondContact O-N 2.9Å; G232-E237 PolarHBondContact N-O 2.87Å
233G90.2Very high92.5Very high87 Ų8777 Ų7790%0.89743%0.426SS*.THydrogen-bonded Turntrans-63.3-20.4-177.600000115.4E231E231-G233 PolarHBondContact O-N 2.97Å
234F88.8Confident93Very high208 Ų20875.9 Ų75.991%0.91242%0.422SS*.THydrogen-bonded Turntrans-99.8-39.9174.4-176.5-99.8000112.9G232G232-F234 PolarHBondContact O-N 3.42Å; G232-F234 VanDerWaalsContact O-N 3.11Å
235S88.9Confident93.1Very high54 Ų5474.1 Ų74.138%0.37840%0.398SS..THydrogen-bonded Turntrans-86-17.6-176.962.80000113.8G232 E237G232-S235 PolarHBondContact O-N 3.17Å; S235-E237 PolarHBondContact O-N 3.43Å; S235-E237 VanDerWaalsContact O-N 3.11Å; S235-E237 PolarHBondContact OG-N 2.94Å
236S89.5Confident92.8Very high83 Ų8373 Ų7358%0.5839%0.391SS*.  trans52.425.1-169.1-70.30000113.9E231 G232E231-S236 VanDerWaalsContact OE1-CA 3.26Å; E231-S236 WeakPolarHBondContact OE1-CA 3.34Å; E231-S236 WeakPolarHBondContact OE1-CB 3.48Å; E231-S236 PolarHBondContact OE1-OG 2.91Å; G232-S236 VanDerWaalsContact O-CA 3.3Å; G232-S236 WeakPolarHBondContact O-CA 3.49Å; G232-S236 PolarHBondContact O-N 2.9Å
237E90.5Very high92.1Very high106 Ų10670.2 Ų70.250%0.49538%0.375SS..  trans-91.8132.2177.9-68.8177.6164.300110.3E231 G232 S235 K239E231-E237 WeakPolarHBondContact CA-O 3.44Å; G232-E237 PolarHBondContact N-O 2.87Å; S235-E237 PolarHBondContact O-N 3.43Å; S235-E237 VanDerWaalsContact O-N 3.11Å; S235-E237 PolarHBondContact OG-N 2.94Å; E237-K239 PolarHBondContact O-N 2.91Å
238L92.2Very high91.2Very high153 Ų15370.8 Ų70.880%0.80138%0.38SS*.EExtended strand (participates in β ladder)trans-64.1127.6168.4-66.5174.6000109.8E231E231-L238 HydrophobicContact CB-CD2 4.47Å
239K91.3Very high90Very high49 Ų4974.1 Ų74.121%0.21339%0.394CS..EExtended strand (participates in β ladder)trans-126.2141.3179.7-67.4-171.1-178.7-104.70111.1I206 N208 G230 E237I206-K239 HydrophobicContact CG2-CD 4.12Å; N208-K239 PolarHBondContact OD1-NZ 2.98Å; G230-K239 PolarHBondContact N-O 2.82Å; G230-K239 PolarHBondContact O-N 2.78Å; E237-K239 PolarHBondContact O-N 2.91Å
240R94.6Very high89.6Confident121 Ų12168 Ų6846%0.45737%0.366SS..EExtended strand (participates in β ladder)trans-90122.1163.8-70.3-177.4178.4176.60.9108.6S210 N211 Y227S210-R240 VanDerWaalsContact CB-O 3.25Å; S210-R240 WeakPolarHBondContact CB-O 3.45Å; S210-R240 PolarHBondContact OG-O 2.54Å; N211-R240 PolarHBondContact OD1-NH1 3.12Å; Y227-R240 HydrophobicContact CD1-CB 4.36Å
241I96.4Very high89.3Confident25 Ų2567.5 Ų67.513%0.12836%0.357CS..EExtended strand (participates in β ladder)trans-104.1127.4177.8-57.7173000107.3M204 I205 I206 Y227 L228M204-I241 HydrophobicContact CG-CG2 3.28Å; M204-I241 HydrophobicContact SD-CG2 3.98Å; I205-I241 WeakPolarHBondContact O-CA 3.35Å; I205-I241 WeakPolarHBondContact O-CG2 3.22Å; I206-I241 HydrophobicContact CG1-CD1 4.37Å; I206-I241 HydrophobicContact CG1-CG1 4.15Å; I206-I241 HydrophobicContact CG1-CG2 4.02Å; Y227-I241 CarbonylContact C-O 3.59Å; Y227-I241 WeakPolarHBondContact CA-O 3.38Å; L228-I241 HydrophobicContact CB-CB 4.17Å; L228-I241 PolarHBondContact N-O 3.06Å; L228-I241 PolarHBondContact O-N 3.04Å
242V97.6Very high89Confident0 Ų067.2 Ų67.20%036%0.359CS..EExtended strand (participates in β ladder)trans-88.7123.3177.7-174.90000108.8M204 I205 S210 A214 V225 Y227M204-V242 CarbonylContact C-O 3.59Å; M204-V242 WeakPolarHBondContact CA-O 3.36Å; I205-V242 HydrophobicContact CB-CB 4.15Å; I205-V242 HydrophobicContact CD1-CB 4.17Å; I205-V242 HydrophobicContact CD1-CG1 4.18Å; I205-V242 PolarHBondContact N-O 3.21Å; I205-V242 PolarHBondContact O-N 3.21Å; S210-V242 VanDerWaalsContact O-CG2 3.28Å; S210-V242 WeakPolarHBondContact O-CG2 3.43Å; A214-V242 HydrophobicContact CB-CG1 4.14Å; A214-V242 HydrophobicContact CB-CG2 4.04Å; V225-V242 HydrophobicContact CB-CG1 3.98Å; V225-V242 HydrophobicContact CG1-CG1 4.28Å; V225-V242 HydrophobicContact CG2-CG1 4.37Å; Y227-V242 HydrophobicContact CD1-CG2 4.24Å; Y227-V242 HydrophobicContact CE1-CG2 4.03Å
243Y97.1Very high88.9Confident79 Ų7968.4 Ų68.431%0.3136%0.36SS..EExtended strand (participates in β ladder)trans-112124.8172.1-172.5-96.2000109.9V203 M204 T226 V245V203-Y243 WeakPolarHBondContact O-CA 3.27Å; M204-Y243 HydrophobicContact CB-CD2 4.12Å; T226-Y243 PolarHBondContact N-O 2.97Å; T226-Y243 PolarHBondContact O-N 2.74Å; Y243-V245 HydrophobicContact CE1-CG2 3.75Å
244I94.6Very high89.1Confident1 Ų164.3 Ų64.31%0.00532%0.317CS..EExtended strand (participates in β ladder)trans-135.5137.7178-172.8178.6000109.5V203 I205 L217 L221 R223 V225 V246V203-I244 HydrophobicContact CB-CG2 3.84Å; V203-I244 PolarHBondContact N-O 3.15Å; V203-I244 PolarHBondContact O-N 3.23Å; I205-I244 HydrophobicContact CD1-CG2 4.44Å; L217-I244 HydrophobicContact CB-CD1 4.28Å; L217-I244 HydrophobicContact CD1-CG2 4.48Å; L221-I244 HydrophobicContact CD1-CD1 4.06Å; R223-I244 HydrophobicContact CB-CD1 3.99Å; R223-I244 HydrophobicContact CB-CG1 4.43Å; V225-I244 HydrophobicContact CG1-CB 3.99Å; V225-I244 HydrophobicContact CG1-CD1 3.81Å; V225-I244 HydrophobicContact CG1-CG1 3.97Å; I244-V246 HydrophobicContact CD1-CG1 3.61Å; I244-V246 HydrophobicContact CG1-CG1 3.72Å; I244-V246 HydrophobicContact CG2-CG1 4.13Å
245V91.6Very high89.3Confident29 Ų2958.3 Ų58.318%0.17629%0.291CS..EExtended strand (participates in β ladder)trans-96.9123.4168.5-167.60000107.8A200 K201 R223 Y243 V272 V275 F280A200-V245 HydrophobicContact CB-CG1 3.97Å; K201-V245 WeakPolarHBondContact O-CA 3.46Å; R223-V245 PolarHBondContact NH1-O 3.43Å; Y243-V245 HydrophobicContact CE1-CG2 3.75Å; V245-V272 HydrophobicContact CG1-CG2 4.36Å; V245-V275 HydrophobicContact CG1-CG2 4.23Å; V245-F280 VanDerWaalsContact C-CZ 3.48Å; V245-F280 HydrophobicContact CB-CE2 3.78Å; V245-F280 HydrophobicContact CB-CZ 3.83Å; V245-F280 HydrophobicContact CG1-CE1 4.24Å; V245-F280 HydrophobicContact CG1-CE2 3.8Å; V245-F280 HydrophobicContact CG1-CZ 3.44Å; V245-F280 VanDerWaalsContact CG1-CZ 3.44Å; V245-F280 WeakPolarHBondContact O-CE2 3.39Å; V245-F280 WeakPolarHBondContact O-CZ 3.44Å
246V88.1Confident89.5Confident0 Ų062.3 Ų62.30%030%0.302CS..EExtended strand (participates in β ladder)trans-128.3163.5179.4-58.90000110.5A200 K201 V203 L221 I244 E250 I251 V254A200-V246 CarbonylContact C-O 3.4Å; A200-V246 WeakPolarHBondContact CA-O 3.4Å; K201-V246 HydrophobicContact CB-CG2 4.36Å; K201-V246 PolarHBondContact N-O 2.95Å; K201-V246 PolarHBondContact O-N 3.37Å; V203-V246 HydrophobicContact CG2-CG2 3.72Å; L221-V246 HydrophobicContact CD1-CG1 4.2Å; I244-V246 HydrophobicContact CD1-CG1 3.61Å; I244-V246 HydrophobicContact CG1-CG1 3.72Å; I244-V246 HydrophobicContact CG2-CG1 4.13Å; V246-E250 HydrophobicContact CB-CB 4.08Å; V246-I251 HydrophobicContact CG2-CG1 4.25Å; V246-V254 HydrophobicContact CB-CG2 4.42Å; V246-V254 HydrophobicContact CG1-CG2 3.85Å; V246-V254 HydrophobicContact CG2-CG2 4.26Å
247S80.9Confident89.7Confident24 Ų2458.5 Ų58.517%0.16827%0.274CS..EExtended strand (participates in β ladder)trans-73.8156170.171.40000112.3A199 Q249 E250A199-S247 CarbonylContact O-C 3.5Å; A199-S247 WeakPolarHBondContact O-CA 2.9Å; A199-S247 WeakPolarHBondContact O-CB 3.49Å; S247-Q249 PolarHBondContact O-N 2.93Å; S247-E250 WeakPolarHBondContact CA-OE2 3.44Å; S247-E250 VanDerWaalsContact CB-OE2 3.22Å; S247-E250 WeakPolarHBondContact CB-OE2 3.23Å; S247-E250 PolarHBondContact N-OE2 3.43Å; S247-E250 PolarHBondContact O-N 3.41Å; S247-E250 VanDerWaalsContact OG-CD 3.23Å; S247-E250 WeakPolarHBondContact OG-CG 3.46Å; S247-E250 PolarHBondContact OG-OE2 3.02Å
248Q77.3Confident90Very high85 Ų8553.4 Ų53.440%0.39725%0.251SS..THydrogen-bonded Turntrans-51.8-29.1174174.661.981.100113.2A199 K201A199-Q248 PolarHBondContact O-N 3.27Å; A199-Q248 VanDerWaalsContact O-N 3.13Å; K201-Q248 HydrophobicContact CG-CB 4.49Å
249Q72.5Confident90.2Very high145 Ų14550.4 Ų50.468%0.67823%0.233SC*.THydrogen-bonded Turntrans-79.3-22.6-178.6-58.9177.712.700113.4S247 R287S247-Q249 PolarHBondContact O-N 2.93Å; Q249-R287 VanDerWaalsContact CB-NH2 3.32Å
250E84Confident90.4Very high17 Ų1752.1 Ų52.18%0.07925%0.25CS..THydrogen-bonded Turntrans-89-12.7-178.3-71.3156.4145.200112.5L221 R223 V246 S247 N252 E253 V254L221-E250 HydrophobicContact CD2-CB 4.42Å; L221-E250 HydrophobicContact CD2-CG 4.27Å; R223-E250 IonicContact CZ-OE1 3.53Å; R223-E250 IonicContact CZ-OE2 3.23Å; R223-E250 VanDerWaalsContact CZ-OE2 3.23Å; R223-E250 IonicContact NE-OE1 3.05Å; R223-E250 PolarHBondContact NE-OE1 3.34Å; R223-E250 IonicContact NE-OE2 3.11Å; R223-E250 PolarHBondContact NE-OE2 3.38Å; R223-E250 VanDerWaalsContact NE-OE2 3.11Å; R223-E250 IonicContact NH2-OE1 3.15Å; R223-E250 PolarHBondContact NH2-OE1 2.92Å; R223-E250 VanDerWaalsContact NH2-OE1 3.15Å; R223-E250 IonicContact NH2-OE2 2.77Å; R223-E250 PolarHBondContact NH2-OE2 3.05Å; V246-E250 HydrophobicContact CB-CB 4.08Å; S247-E250 WeakPolarHBondContact CA-OE2 3.44Å; S247-E250 VanDerWaalsContact CB-OE2 3.22Å; S247-E250 WeakPolarHBondContact CB-OE2 3.23Å; S247-E250 PolarHBondContact N-OE2 3.43Å; S247-E250 PolarHBondContact O-N 3.41Å; S247-E250 VanDerWaalsContact OG-CD 3.23Å; S247-E250 WeakPolarHBondContact OG-CG 3.46Å; S247-E250 PolarHBondContact OG-OE2 3.02Å; E250-N252 VanDerWaalsContact C-N 3.27Å; E250-N252 PolarHBondContact O-N 3.48Å; E250-E253 WeakPolarHBondContact O-CA 3.06Å; E250-E253 WeakPolarHBondContact O-CB 3.2Å; E250-E253 PolarHBondContact O-N 3.29Å; E250-V254 WeakPolarHBondContact O-CG2 3.25Å; E250-V254 PolarHBondContact O-N 3.5Å
251I86.7Confident90.5Very high13 Ų1348.4 Ų48.47%0.06724%0.241CC..Hα-helixtrans-50.9-45.5-178.8-76.7173.8000112.4K201 V246 E253 V254 K255 I269K201-I251 HydrophobicContact CB-CD1 3.94Å; K201-I251 HydrophobicContact CB-CG1 4.36Å; K201-I251 HydrophobicContact CD-CD1 4.15Å; K201-I251 HydrophobicContact CG-CD1 3.55Å; K201-I251 HydrophobicContact CG-CG1 4.35Å; V246-I251 HydrophobicContact CG2-CG1 4.25Å; I251-E253 VanDerWaalsContact C-N 3.28Å; I251-E253 PolarHBondContact O-N 2.82Å; I251-V254 PolarHBondContact O-N 2.86Å; I251-K255 HydrophobicContact CG2-CD 4.25Å; I251-K255 HydrophobicContact CG2-CG 4.47Å; I251-K255 WeakPolarHBondContact O-CG 3.41Å; I251-K255 PolarHBondContact O-N 3.27Å; I251-I269 HydrophobicContact CD1-CG2 3.85Å; I251-I269 HydrophobicContact CG2-CD1 3.8Å
252N86Confident90.5Very high114 Ų11448.8 Ų48.861%0.6124%0.244SC*.Hα-helixtrans-68.4-30.6-177.6-75.2-13.4000112.2E250 K256E250-N252 VanDerWaalsContact C-N 3.27Å; E250-N252 PolarHBondContact O-N 3.48Å; N252-K256 VanDerWaalsContact O-CG 3.27Å; N252-K256 WeakPolarHBondContact O-CG 3.4Å; N252-K256 PolarHBondContact O-N 3.01Å
253E88.5Confident90.4Very high43 Ų4356.7 Ų56.720%0.20128%0.28CS..Hα-helixtrans-74-44.2176-173.9165.7-158.300110.8L221 E250 I251 K255 K256 I257L221-E253 HydrophobicContact CD2-CG 4.27Å; E250-E253 WeakPolarHBondContact O-CA 3.06Å; E250-E253 WeakPolarHBondContact O-CB 3.2Å; E250-E253 PolarHBondContact O-N 3.29Å; I251-E253 VanDerWaalsContact C-N 3.28Å; I251-E253 PolarHBondContact O-N 2.82Å; E253-K255 PolarHBondContact O-N 2.79Å; E253-K256 WeakPolarHBondContact O-CB 3.35Å; E253-K256 PolarHBondContact O-N 2.82Å; E253-K256 VanDerWaalsContact O-N 3.15Å; E253-I257 HydrophobicContact CG-CD1 4.33Å; E253-I257 WeakPolarHBondContact O-CG1 3.44Å; E253-I257 PolarHBondContact O-N 3.03Å
254V93.5Very high90.2Very high2 Ų262.1 Ų62.11%0.01231%0.306CS..Hα-helixtrans-55-50.2172.4172.70000111V203 L217 L221 V246 E250 I251 K256 I257 I258V203-V254 HydrophobicContact CG1-CG1 4.11Å; L217-V254 HydrophobicContact CD2-CB 4.27Å; L217-V254 HydrophobicContact CD2-CG1 4.03Å; L217-V254 HydrophobicContact CD2-CG2 4.12Å; L221-V254 HydrophobicContact CD1-CG2 3.52Å; V246-V254 HydrophobicContact CB-CG2 4.42Å; V246-V254 HydrophobicContact CG1-CG2 3.85Å; V246-V254 HydrophobicContact CG2-CG2 4.26Å; E250-V254 WeakPolarHBondContact O-CG2 3.25Å; E250-V254 PolarHBondContact O-N 3.5Å; I251-V254 PolarHBondContact O-N 2.86Å; V254-K256 VanDerWaalsContact C-N 3.31Å; V254-K256 PolarHBondContact O-N 3.22Å; V254-I257 PolarHBondContact O-N 3.48Å; V254-I258 HydrophobicContact CG1-CD1 3.55Å; V254-I258 HydrophobicContact CG1-CG1 4.35Å; V254-I258 WeakPolarHBondContact O-CD1 3.39Å; V254-I258 VanDerWaalsContact O-CG1 3.25Å; V254-I258 WeakPolarHBondContact O-CG1 3.28Å; V254-I258 PolarHBondContact O-N 2.82Å
255K93.3Very high90.2Very high81 Ų8162.6 Ų62.635%0.35231%0.31SS..Hα-helixtrans-58.9-41177.5-75.1-176.6178.6-171.40112.4I251 E253 I258 H259 I267 I269I251-K255 HydrophobicContact CG2-CD 4.25Å; I251-K255 HydrophobicContact CG2-CG 4.47Å; I251-K255 WeakPolarHBondContact O-CG 3.41Å; I251-K255 PolarHBondContact O-N 3.27Å; E253-K255 PolarHBondContact O-N 2.79Å; K255-I258 PolarHBondContact O-N 2.67Å; K255-H259 WeakPolarHBondContact O-CB 3.25Å; K255-H259 PolarHBondContact O-CD2 3.21Å; K255-H259 PolarHBondContact O-N 3.22Å; K255-I267 HydrophobicContact CG-CD1 4.37Å; K255-I269 VanDerWaalsContact CE-CD1 3.42Å
256K92.7Very high90.4Very high139 Ų13967.4 Ų67.460%0.60433%0.329SS*.Hα-helixtrans-63.3-44.2177.2-77.2174-178.6-175.70111.9N252 E253 V254 S260N252-K256 VanDerWaalsContact O-CG 3.27Å; N252-K256 WeakPolarHBondContact O-CG 3.4Å; N252-K256 PolarHBondContact O-N 3.01Å; E253-K256 WeakPolarHBondContact O-CB 3.35Å; E253-K256 PolarHBondContact O-N 2.82Å; E253-K256 VanDerWaalsContact O-N 3.15Å; V254-K256 VanDerWaalsContact C-N 3.31Å; V254-K256 PolarHBondContact O-N 3.22Å; K256-S260 WeakPolarHBondContact O-CB 3.46Å; K256-S260 PolarHBondContact O-N 2.91Å; K256-S260 PolarHBondContact O-OG 3.41Å
257I95Very high90.8Very high2 Ų269.2 Ų69.21%0.0134%0.338CS..Hα-helixtrans-62.3-48.4177.2-67.6167.7000109.8L216 L217 H220 E253 V254 S260 V261 F290L216-I257 HydrophobicContact CB-CG2 3.66Å; L216-I257 HydrophobicContact CD1-CG2 4.25Å; L217-I257 HydrophobicContact CD2-CB 4.16Å; L217-I257 HydrophobicContact CD2-CD1 4.01Å; L217-I257 HydrophobicContact CD2-CG2 4.02Å; L217-I257 HydrophobicContact CG-CG2 4.25Å; H220-I257 HydrophobicContact CB-CD1 3.83Å; E253-I257 HydrophobicContact CG-CD1 4.33Å; E253-I257 WeakPolarHBondContact O-CG1 3.44Å; E253-I257 PolarHBondContact O-N 3.03Å; V254-I257 PolarHBondContact O-N 3.48Å; I257-S260 PolarHBondContact O-N 2.85Å; I257-S260 PolarHBondContact O-OG 3.08Å; I257-V261 PolarHBondContact O-N 3.49Å; I257-F290 HydrophobicContact CG1-CE2 4.49Å
258I96.6Very high91.5Very high0 Ų071.7 Ų71.70%035%0.349CS..Hα-helixtrans-58.6-53.7179.2-65.1162.4000110.7I205 I213 V254 K255 S260 V261 D262 A265 I267I205-I258 HydrophobicContact CD1-CD1 3.51Å; I205-I258 HydrophobicContact CD1-CG1 3.97Å; I205-I258 HydrophobicContact CG1-CD1 3.69Å; I205-I258 HydrophobicContact CG1-CG1 4.47Å; I205-I258 HydrophobicContact CG2-CD1 4.08Å; I205-I258 HydrophobicContact CG2-CG1 4.26Å; I205-I258 HydrophobicContact CG2-CG2 4.15Å; I213-I258 HydrophobicContact CD1-CG2 4.24Å; I213-I258 HydrophobicContact CG2-CG1 3.87Å; V254-I258 HydrophobicContact CG1-CD1 3.55Å; V254-I258 HydrophobicContact CG1-CG1 4.35Å; V254-I258 WeakPolarHBondContact O-CD1 3.39Å; V254-I258 VanDerWaalsContact O-CG1 3.25Å; V254-I258 WeakPolarHBondContact O-CG1 3.28Å; V254-I258 PolarHBondContact O-N 2.82Å; K255-I258 PolarHBondContact O-N 2.67Å; I258-S260 PolarHBondContact O-N 3.45Å; I258-V261 PolarHBondContact O-N 3.06Å; I258-D262 PolarHBondContact O-N 3.5Å; I258-A265 HydrophobicContact CG2-CB 3.43Å; I258-A265 VanDerWaalsContact CG2-CB 3.43Å; I258-I267 HydrophobicContact CB-CD1 4.1Å; I258-I267 HydrophobicContact CD1-CD1 3.73Å; I258-I267 HydrophobicContact CD1-CG1 4.06Å; I258-I267 HydrophobicContact CD1-CG2 4.32Å; I258-I267 HydrophobicContact CG2-CD1 3.71Å; I258-I267 HydrophobicContact CG2-CG1 4.09Å
259H96.1Very high92.3Very high90 Ų9070.4 Ų70.442%0.41734%0.344SS..Hα-helixtrans-68-17.9-178.5-69.2-54.1000113.8K255 V261 E263K255-H259 WeakPolarHBondContact O-CB 3.25Å; K255-H259 PolarHBondContact O-CD2 3.21Å; K255-H259 PolarHBondContact O-N 3.22Å; H259-V261 VanDerWaalsContact C-N 3.27Å; H259-E263 PolarHBondContact ND1-O 2.98Å
260S95.4Very high93.1Very high84 Ų8466 Ų6659%0.58733%0.329SS*.Hα-helixtrans-74-19.3172.173.70000113.5K256 I257 I258K256-S260 WeakPolarHBondContact O-CB 3.46Å; K256-S260 PolarHBondContact O-N 2.91Å; K256-S260 PolarHBondContact O-OG 3.41Å; I257-S260 PolarHBondContact O-N 2.85Å; I257-S260 PolarHBondContact O-OG 3.08Å; I258-S260 PolarHBondContact O-N 3.45Å
261V96.2Very high93.1Very high44 Ų4468.9 Ų68.927%0.26735%0.345SS..Hα-helixtrans-104.1-50.1178.2-178.20000110.7E209 V212 I213 L216 I257 I258 H259E209-V261 HydrophobicContact CB-CG1 3.66Å; E209-V261 HydrophobicContact CG-CG1 4.2Å; V212-V261 HydrophobicContact CB-CG1 4.12Å; V212-V261 HydrophobicContact CG1-CG1 3.9Å; V212-V261 HydrophobicContact CG1-CG2 4.15Å; I213-V261 HydrophobicContact CG1-CB 3.96Å; I213-V261 HydrophobicContact CG1-CG1 3.99Å; I213-V261 HydrophobicContact CG1-CG2 4.32Å; L216-V261 HydrophobicContact CD1-CG2 3.44Å; L216-V261 VanDerWaalsContact CD1-CG2 3.44Å; I257-V261 PolarHBondContact O-N 3.49Å; I258-V261 PolarHBondContact O-N 3.06Å; H259-V261 VanDerWaalsContact C-N 3.27Å
262D96.5Very high92.8Very high33 Ų3369.5 Ų69.518%0.17635%0.349CS..  trans-138.3103.6-178.8179.88.8000110.2S207 I213 I258 K264 A265S207-D262 WeakPolarHBondContact CB-OD2 3.41Å; S207-D262 PolarHBondContact OG-OD2 2.64Å; I213-D262 HydrophobicContact CD1-CB 4.43Å; I258-D262 PolarHBondContact O-N 3.5Å; D262-K264 PolarHBondContact O-N 3.16Å; D262-K264 WeakPolarHBondContact OD1-CA 3.36Å; D262-K264 WeakPolarHBondContact OD1-CB 3.48Å; D262-K264 PolarHBondContact OD1-N 2.96Å; D262-A265 HydrophobicContact CB-CB 4.1Å; D262-A265 WeakPolarHBondContact O-CB 3.49Å; D262-A265 PolarHBondContact O-N 3.14Å; D262-A265 PolarHBondContact OD1-N 2.94Å; D262-A265 PolarHBondContact OD2-N 2.91Å
263E95Very high91.8Very high165 Ų16571.8 Ų71.877%0.77136%0.356SS*.THydrogen-bonded Turntrans-63.2-27.1176.6-167.7177.6-174.300112.3H259H259-E263 PolarHBondContact ND1-O 2.98Å
264K93.9Very high90.8Very high193 Ų19375.7 Ų75.784%0.83938%0.379SS*.THydrogen-bonded Turntrans-94.15.1-177.2-61.5-178.5-178.4176.80113.4D262 F266D262-K264 PolarHBondContact O-N 3.16Å; D262-K264 WeakPolarHBondContact OD1-CA 3.36Å; D262-K264 WeakPolarHBondContact OD1-CB 3.48Å; D262-K264 PolarHBondContact OD1-N 2.96Å; K264-F266 PolarHBondContact O-N 2.85Å
265A95.6Very high89.9Confident11 Ų1177.3 Ų77.39%0.09139%0.388CS..  trans-59135.4178.400000111.4I205 I258 D262I205-A265 HydrophobicContact CG2-CB 4.48Å; I258-A265 HydrophobicContact CG2-CB 3.43Å; I258-A265 VanDerWaalsContact CG2-CB 3.43Å; D262-A265 HydrophobicContact CB-CB 4.1Å; D262-A265 WeakPolarHBondContact O-CB 3.49Å; D262-A265 PolarHBondContact O-N 3.14Å; D262-A265 PolarHBondContact OD1-N 2.94Å; D262-A265 PolarHBondContact OD2-N 2.91Å
266F94.8Very high88.9Confident131 Ų13181.3 Ų81.358%0.57541%0.408SS*.EExtended strand (participates in β ladder)trans-89.4117.6175.6-175-92.8000109.9I206 K264I206-F266 HydrophobicContact CB-CB 4.23Å; I206-F266 HydrophobicContact CD1-CD1 3.94Å; I206-F266 HydrophobicContact CG1-CD1 4.41Å; I206-F266 PolarHBondContact N-O 2.98Å; I206-F266 PolarHBondContact O-N 2.79Å; K264-F266 PolarHBondContact O-N 2.85Å
267I96.5Very high88Confident38 Ų3875.5 Ų75.520%0.19539%0.388CS..EExtended strand (participates in β ladder)trans-115.8113.6-172.4-49.7170.9000109.4V203 K255 I258 I269V203-I267 HydrophobicContact CG1-CG2 3.69Å; K255-I267 HydrophobicContact CG-CD1 4.37Å; I258-I267 HydrophobicContact CB-CD1 4.1Å; I258-I267 HydrophobicContact CD1-CD1 3.73Å; I258-I267 HydrophobicContact CD1-CG1 4.06Å; I258-I267 HydrophobicContact CD1-CG2 4.32Å; I258-I267 HydrophobicContact CG2-CD1 3.71Å; I258-I267 HydrophobicContact CG2-CG1 4.09Å; I267-I269 HydrophobicContact CG2-CG1 4.14Å
268L96Very high86.7Confident75 Ų7582 Ų8239%0.39342%0.418SS..EExtended strand (participates in β ladder)trans-97.4131.9170.1-179.974.4000109.7V203 M204V203-L268 CarbonylContact C-O 3.59Å; V203-L268 WeakPolarHBondContact CA-O 3.28Å; M204-L268 HydrophobicContact CB-CB 4.19Å; M204-L268 HydrophobicContact CE-CB 4.02Å; M204-L268 HydrophobicContact CE-CD2 3.52Å; M204-L268 HydrophobicContact CE-CG 4.4Å; M204-L268 PolarHBondContact N-O 3.42Å; M204-L268 PolarHBondContact O-N 3.25Å
269I92.8Very high85.1Confident58 Ų5882.4 Ų82.430%0.29742%0.422SS..EExtended strand (participates in β ladder)trans-120.5119.1177.6-57.9176.5000108.7K201 G202 V203 I251 K255 I267K201-I269 HydrophobicContact CB-CG2 4.33Å; K201-I269 HydrophobicContact CD-CG2 4.42Å; G202-I269 CarbonylContact O-C 3.55Å; G202-I269 WeakPolarHBondContact O-CA 3.09Å; V203-I269 HydrophobicContact CG1-CG1 4.46Å; V203-I269 HydrophobicContact CG2-CG1 4.4Å; I251-I269 HydrophobicContact CD1-CG2 3.85Å; I251-I269 HydrophobicContact CG2-CD1 3.8Å; K255-I269 VanDerWaalsContact CE-CD1 3.42Å; I267-I269 HydrophobicContact CG2-CG1 4.14Å
270S89.5Confident83.5Confident53 Ų5379.7 Ų79.737%0.37141%0.409SS..EExtended strand (participates in β ladder)trans-115.8144.1-179.1-56.20000111.1K201 G202 V272K201-S270 CarbonylContact C-O 3.6Å; K201-S270 VanDerWaalsContact CA-O 3.32Å; K201-S270 WeakPolarHBondContact CA-O 3.07Å; G202-S270 PolarHBondContact N-O 3.42Å; G202-S270 PolarHBondContact O-N 2.55Å; S270-V272 PolarHBondContact O-N 2.86Å
271N83.6Confident81.6Confident78 Ų7879.8 Ų79.842%0.41741%0.406SS..EExtended strand (participates in β ladder)trans-71.7126.8172.9-66-23.5000109.6Y198 K201Y198-N271 HydrophobicContact CD1-CB 3.74Å; Y198-N271 HydrophobicContact CD2-CB 4.13Å; Y198-N271 HydrophobicContact CE1-CB 3.87Å; Y198-N271 HydrophobicContact CE2-CB 4.26Å; Y198-N271 WeakPolarHBondContact CE2-ND2 3.41Å; Y198-N271 HydrophobicContact CG-CB 3.86Å; K201-N271 PolarHBondContact NZ-OD1 3.47Å
272V80.8Confident79.5Confident25 Ų2584.1 Ų84.115%0.15242%0.419CS..EExtended strand (participates in β ladder)trans-103.1117172.7174.70000107.2A200 V245 S270 D274 V275A200-V272 HydrophobicContact CB-CB 4.02Å; A200-V272 HydrophobicContact CB-CG1 4.15Å; A200-V272 PolarHBondContact O-N 3.31Å; A200-V272 VanDerWaalsContact O-N 3.14Å; V245-V272 HydrophobicContact CG1-CG2 4.36Å; S270-V272 PolarHBondContact O-N 2.86Å; V272-D274 WeakPolarHBondContact CG1-O 3.37Å; V272-V275 HydrophobicContact CG1-CB 4.09Å
273H65.8Low77.6Confident162 Ų16288.7 Ų88.775%0.7544%0.443SS*.SBendtrans-72.3-40.4-176.9-79-80.6000112.1Y198Y198-H273 AromaticContact CE1-CE1 3.64Å; Y198-H273 AromaticContact CE1-ND1 3.85Å
274D68.2Low75.5Confident126 Ų12689.8 Ų89.867%0.67444%0.44SS*.  trans-144.5146.6176.7-159.32.8000109.8V272V272-D274 WeakPolarHBondContact CG1-O 3.37Å
275V73.7Confident73.6Confident35 Ų3582.7 Ų82.721%0.21241%0.413CS..  trans-143.7121.1176.857.40000109.2A200 V245 V272 F280 T281A200-V275 HydrophobicContact CB-CB 4.37Å; A200-V275 HydrophobicContact CB-CG1 3.52Å; V245-V275 HydrophobicContact CG1-CG2 4.23Å; V272-V275 HydrophobicContact CG1-CB 4.09Å; V275-F280 HydrophobicContact CB-CG 4.48Å; V275-F280 HydrophobicContact CG1-CB 3.94Å; V275-F280 HydrophobicContact CG1-CD1 3.47Å; V275-F280 VanDerWaalsContact CG1-CD1 3.47Å; V275-F280 HydrophobicContact CG1-CD2 4.29Å; V275-F280 HydrophobicContact CG1-CE1 3.95Å; V275-F280 HydrophobicContact CG1-CG 3.65Å; V275-F280 HydrophobicContact CG1-CZ 4.49Å; V275-F280 HydrophobicContact CG2-CB 4.26Å; V275-F280 HydrophobicContact CG2-CD1 4.49Å; V275-F280 HydrophobicContact CG2-CD2 3.8Å; V275-F280 HydrophobicContact CG2-CE2 4.17Å; V275-F280 HydrophobicContact CG2-CG 3.95Å; V275-T281 PolarHBondContact O-OG1 2.88Å
276E73.4Confident71.3Confident166 Ų16690.1 Ų90.178%0.77645%0.446SS*.  trans-109.9122.4171.6-64.6-169.1169.500110T281E276-T281 WeakPolarHBondContact CA-OG1 3.3Å
277G73Confident69Low17 Ų1791.7 Ų91.718%0.17545%0.449CS..SBendtrans165.1178.3178.300000115.7F280 T281G277-F280 PolarHBondContact O-N 3.32Å; G277-T281 PolarHBondContact N-OG1 3.42Å; G277-T281 PolarHBondContact O-N 2.97Å
278E67.4Low66.4Low138 Ų13899 Ų9965%0.64547%0.474SS*.BIsolated β-bridgetrans-59.5138.2173.8-171.6174.3-177.300111.1F280 Y282 L283E278-F280 PolarHBondContact O-N 3.3Å; E278-Y282 HydrophobicContact CB-CE2 3.97Å; E278-Y282 HydrophobicContact CG-CE2 4.41Å; E278-L283 HydrophobicContact CG-CB 4.27Å
279G63.7Low63.5Low9 Ų9106.9 Ų106.99%0.09350%0.498CS..THydrogen-bonded Turntrans79.5-11.6-175.200000114.9Y282 L283G279-Y282 PolarHBondContact N-O 2.78Å; G279-L283 PolarHBondContact N-O 2.95Å
280F61.2Low61.2Low32 Ų32107.5 Ų107.514%0.1450%0.499CS..THydrogen-bonded Turntrans-118.4-55177.6-74.1-81.2000113.3A200 V245 V275 G277 E278 R284A200-F280 HydrophobicContact CB-CD1 4.42Å; A200-F280 HydrophobicContact CB-CE1 3.82Å; A200-F280 HydrophobicContact CB-CZ 4.4Å; V245-F280 VanDerWaalsContact C-CZ 3.48Å; V245-F280 HydrophobicContact CB-CE2 3.78Å; V245-F280 HydrophobicContact CB-CZ 3.83Å; V245-F280 HydrophobicContact CG1-CE1 4.24Å; V245-F280 HydrophobicContact CG1-CE2 3.8Å; V245-F280 HydrophobicContact CG1-CZ 3.44Å; V245-F280 VanDerWaalsContact CG1-CZ 3.44Å; V245-F280 WeakPolarHBondContact O-CE2 3.39Å; V245-F280 WeakPolarHBondContact O-CZ 3.44Å; V275-F280 HydrophobicContact CB-CG 4.48Å; V275-F280 HydrophobicContact CG1-CB 3.94Å; V275-F280 HydrophobicContact CG1-CD1 3.47Å; V275-F280 VanDerWaalsContact CG1-CD1 3.47Å; V275-F280 HydrophobicContact CG1-CD2 4.29Å; V275-F280 HydrophobicContact CG1-CE1 3.95Å; V275-F280 HydrophobicContact CG1-CG 3.65Å; V275-F280 HydrophobicContact CG1-CZ 4.49Å; V275-F280 HydrophobicContact CG2-CB 4.26Å; V275-F280 HydrophobicContact CG2-CD1 4.49Å; V275-F280 HydrophobicContact CG2-CD2 3.8Å; V275-F280 HydrophobicContact CG2-CE2 4.17Å; V275-F280 HydrophobicContact CG2-CG 3.95Å; G277-F280 PolarHBondContact O-N 3.32Å; E278-F280 PolarHBondContact O-N 3.3Å; F280-R284 VanDerWaalsContact O-CZ 3.25Å; F280-R284 PolarHBondContact O-NE 3.33Å; F280-R284 PolarHBondContact O-NH2 3.45Å
281T56Low58.7Low86 Ų86110.8 Ų110.853%0.52852%0.517SS..THydrogen-bonded Turntrans-95.7-36.2-177.6-48.40000111.7V275 E276 G277V275-T281 PolarHBondContact O-OG1 2.88Å; E276-T281 WeakPolarHBondContact CA-OG1 3.3Å; G277-T281 PolarHBondContact N-OG1 3.42Å; G277-T281 PolarHBondContact O-N 2.97Å
282Y52.4Low56.6Low135 Ų135113.5 Ų113.553%0.52953%0.531SS..BIsolated β-bridgetrans-142158.1176.856.9-88.2000111E278 G279E278-Y282 HydrophobicContact CB-CE2 3.97Å; E278-Y282 HydrophobicContact CG-CE2 4.41Å; G279-Y282 PolarHBondContact N-O 2.78Å
283L55.7Low54.6Low130 Ų130122.3 Ų122.368%0.68157%0.567SS**  trans51.361.4-178.2-62.1173.7000114.4E278 G279 P285E278-L283 HydrophobicContact CG-CB 4.27Å; G279-L283 PolarHBondContact N-O 2.95Å; L283-P285 WeakPolarHBondContact O-CD 3.26Å
284R52.4Low53.2Low188 Ų188125.5 Ų125.571%0.70957%0.572SS**PPolyproline II helixtrans-76.7125.6176.8-65.4-174.1-178.2165.60.1111.4F280F280-R284 VanDerWaalsContact O-CZ 3.25Å; F280-R284 PolarHBondContact O-NE 3.33Å; F280-R284 PolarHBondContact O-NH2 3.45Å
285P52.7Low51.9Low43 Ų43125.1 Ų125.128%0.27958%0.579SS.*PPolyproline II helixtrans-68.1148.9177.623.7-31.4000113.4E222 L283E222-P285 HydrophobicContact CB-CB 3.5Å; E222-P285 VanDerWaalsContact CB-CB 3.5Å; E222-P285 HydrophobicContact CB-CG 3.8Å; E222-P285 HydrophobicContact CG-CB 4.23Å; E222-P285 WeakPolarHBondContact OE2-CB 3.36Å; L283-P285 WeakPolarHBondContact O-CD 3.26Å
286Q48.1Very low50.3Low168 Ų168134 Ų13479%0.78563%0.625SS**PPolyproline II helixtrans-87.6118174.1-73.3-171.21400109.7R288Q286-R288 PolarHBondContact O-N 2.88Å
287R46.8Very low49.1Very low164 Ų164132.4 Ų132.462%0.61962%0.618SS**  trans-44.7123.1-178.6-81-171.4174.8167.56.2113.3Q249Q249-R287 VanDerWaalsContact CB-NH2 3.32Å
288R41.5Very low47.9Very low192 Ų192138.4 Ų138.473%0.72564%0.641SS**PPolyproline II helixtrans-88.9131160.6-70.2-178173.3-168.2-2.2109.1E222 Q286 F290E222-R288 IonicContact OE1-NE 3.22Å; Q286-R288 PolarHBondContact O-N 2.88Å; R288-F290 PolarHBondContact O-N 3.44Å
289R35.9Very low46.8Very low239 Ų239138.4 Ų138.490%0.90264%0.641SS**PPolyproline II helixtrans-69.7121.7178.6-77.8-175.4175.4-174.3-0.9109.8T291R289-T291 PolarHBondContact O-N 3.11Å
290F42.9Very low45.8Very low71 Ų71146.1 Ų146.131%0.31167%0.673SS.*PPolyproline II helixtrans-60119.2169.4-171-110000110.7H220 I257 R288 L292H220-F290 AromaticContact CD2-CD2 3.83Å; I257-F290 HydrophobicContact CG1-CE2 4.49Å; R288-F290 PolarHBondContact O-N 3.44Å; F290-L292 HydrophobicContact CD1-CG 4.18Å; F290-L292 HydrophobicContact CE1-CD1 4.3Å; F290-L292 HydrophobicContact CE1-CD2 3.41Å; F290-L292 VanDerWaalsContact CE1-CD2 3.41Å; F290-L292 HydrophobicContact CE1-CG 3.47Å; F290-L292 VanDerWaalsContact CE1-CG 3.47Å; F290-L292 HydrophobicContact CZ-CD2 3.65Å; F290-L292 HydrophobicContact CZ-CG 4.16Å
291T37.5Very low44.8Very low122 Ų122153.2 Ų153.275%0.74871%0.707SS**  trans-116.7115.5168.331.40000107.8R289 K293R289-T291 PolarHBondContact O-N 3.11Å; T291-K293 PolarHBondContact O-N 3.37Å
292L40.7Very low44.1Very low136 Ų136157.7 Ų157.771%0.71272%0.719SS**  trans-64107.7171.3-75.2162.3000107.8F290 R294F290-L292 HydrophobicContact CD1-CG 4.18Å; F290-L292 HydrophobicContact CE1-CD1 4.3Å; F290-L292 HydrophobicContact CE1-CD2 3.41Å; F290-L292 VanDerWaalsContact CE1-CD2 3.41Å; F290-L292 HydrophobicContact CE1-CG 3.47Å; F290-L292 VanDerWaalsContact CE1-CG 3.47Å; F290-L292 HydrophobicContact CZ-CD2 3.65Å; F290-L292 HydrophobicContact CZ-CG 4.16Å; L292-R294 PolarHBondContact O-N 2.78Å
293K38.6Very low43.5Very low209 Ų209159.3 Ų159.391%0.90973%0.732SS**  trans-63.6106.5161.3-99.9-176174-178.70106.6T291 S295T291-K293 PolarHBondContact O-N 3.37Å; K293-S295 PolarHBondContact O-N 3.11Å
294R35.8Very low42.6Very low230 Ų230161.5 Ų161.587%0.86874%0.736SS**  trans-62.5117.4162.5-76.6-175172.8-178.2-2.8106.6L292 N296L292-R294 PolarHBondContact O-N 2.78Å; R294-N296 PolarHBondContact O-N 3.44Å
295S41.3Very low41.8Very low117 Ų117159.3 Ų159.382%0.81874%0.738SS**  trans-62.6118.7160.1-170.20000106.5K293K293-S295 PolarHBondContact O-N 3.11Å
296N39.5Very low40.8Very low221 Ų221169.9 Ų169.9100%1.18278%0.78SS**  trans-73.60151.1-75.3-13.1000108.7R294R294-N296 PolarHBondContact O-N 3.44Å

Retrieved 296 of 296 residues in 492.2 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).