G4LVZ8_SCHMA Loading...

GPN-loop GTPase

Small GTPase involved in the correct assembly of RNA polymerase II (RNAPII) complex, ensuring proper nuclear import of RNAPII. In vitro, exhibits a chaperone-like activity and a chaperone substrate protein can stimulate its GTPase activity. It is proposed to bind exposed hydrophobic peptide regions of newly synthesized RNAP II subunit, triggering the opening of a hydrophobic pocket in its GDP-bound state. This interaction likely traps exposed hydrophobic regions, preventing misassembly and providing a time window for association with the cognate RNAP II subunit. Peptide binding promotes GDP release, and increasing GTP affinity to facilitate GTP rebinding. Subsequent GTP hydrolysis would then lead to the release of the bound RNAP II subunit to enable association with cognate subunits and RNAP II assembly.

AlphaFold DB , UniProt , Accession G4LVZ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 318 aa.

Structure Viewer
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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
1M60.7Low73.4Confident131 Ų131106.3 Ų106.365%0.64549%0.494SS*.  0126.60175.4176.8179.700106.7I43 Y51M1-I43 HydrophobicContact CE-CG2 3.92Å; M1-I43 HydrophobicContact SD-CG2 4.34Å; M1-Y51 HydrophobicContact CB-CE2 4.03Å
2F65.8Low74.3Confident216 Ų216112.2 Ų112.295%0.94752%0.517SS*.  trans-102.4127.5175.8-65.1-81.2000108.2
3K70.6Confident75.2Confident95 Ų95110.5 Ų110.541%0.41351%0.51SS..  trans-125.9123.4174.5-173.1-179.7179.5-169.60107.6I43K3-I43 HydrophobicContact CD-CD1 4.24Å
4D76.6Confident75.9Confident50 Ų50103.1 Ų103.127%0.26748%0.477SS..  trans-98.8135-179.4-162.9-35.5000110.2R6 D7D4-R6 PolarHBondContact O-N 3.47Å; D4-R6 VanDerWaalsContact OD1-CB 3.28Å; D4-R6 WeakPolarHBondContact OD1-CB 3.16Å; D4-R6 VanDerWaalsContact OD1-CG 3.27Å; D4-R6 WeakPolarHBondContact OD1-CG 3.32Å; D4-R6 PolarHBondContact OD1-N 3.33Å; D4-R6 IonicContact OD1-NE 3.1Å; D4-R6 PolarHBondContact OD1-NE 2.94Å; D4-R6 IonicContact OD2-CZ 3.73Å; D4-R6 IonicContact OD2-NE 3.64Å; D4-R6 PolarHBondContact OD2-NE 3.04Å; D4-R6 IonicContact OD2-NH2 2.64Å; D4-R6 PolarHBondContact OD2-NH2 2.92Å; D4-D7 WeakPolarHBondContact O-CB 3.36Å; D4-D7 PolarHBondContact O-N 2.89Å
5I74Confident76.7Confident74 Ų74100.1 Ų100.138%0.37946%0.464SS..G310 helixtrans-62.2-29.2173.8-170.8167.2000111.9D7 T8 V9 F33I5-D7 PolarHBondContact O-N 3.03Å; I5-T8 PolarHBondContact O-N 3.49Å; I5-V9 PolarHBondContact O-N 3.06Å; I5-F33 HydrophobicContact CD1-CB 3.78Å; I5-F33 HydrophobicContact CD1-CD1 3.56Å; I5-F33 HydrophobicContact CD1-CD2 3.7Å; I5-F33 HydrophobicContact CD1-CE1 3.98Å; I5-F33 HydrophobicContact CD1-CE2 4.12Å; I5-F33 HydrophobicContact CD1-CG 3.38Å; I5-F33 HydrophobicContact CD1-CZ 4.24Å; I5-F33 HydrophobicContact CG1-CB 4.34Å; I5-F33 HydrophobicContact CG1-CD1 4.4Å; I5-F33 HydrophobicContact CG1-CD2 3.63Å; I5-F33 HydrophobicContact CG1-CE2 3.95Å; I5-F33 HydrophobicContact CG1-CG 3.88Å; I5-F33 HydrophobicContact CG1-CZ 4.45Å
6R73.4Confident77.4Confident182 Ų182105.7 Ų105.769%0.68749%0.486SS*.G310 helixtrans-62.5-21.5178.1-64.3179.6-68-1780.7113D4 T8D4-R6 PolarHBondContact O-N 3.47Å; D4-R6 VanDerWaalsContact OD1-CB 3.28Å; D4-R6 WeakPolarHBondContact OD1-CB 3.16Å; D4-R6 VanDerWaalsContact OD1-CG 3.27Å; D4-R6 WeakPolarHBondContact OD1-CG 3.32Å; D4-R6 PolarHBondContact OD1-N 3.33Å; D4-R6 IonicContact OD1-NE 3.1Å; D4-R6 PolarHBondContact OD1-NE 2.94Å; D4-R6 IonicContact OD2-CZ 3.73Å; D4-R6 IonicContact OD2-NE 3.64Å; D4-R6 PolarHBondContact OD2-NE 3.04Å; D4-R6 IonicContact OD2-NH2 2.64Å; D4-R6 PolarHBondContact OD2-NH2 2.92Å; R6-T8 VanDerWaalsContact C-N 3.28Å
7D72Confident78Confident133 Ų133106.5 Ų106.571%0.71149%0.491SS*.G310 helixtrans-73.7-24.4174.7-61.2-24.3000111.9D4 I5D4-D7 WeakPolarHBondContact O-CB 3.36Å; D4-D7 PolarHBondContact O-N 2.89Å; I5-D7 PolarHBondContact O-N 3.03Å
8T73.3Confident78.5Confident55 Ų55106.5 Ų106.534%0.33749%0.487SS..THydrogen-bonded Turntrans-96.4-37.8-178.8-52.40000111.9I5 R6I5-T8 PolarHBondContact O-N 3.49Å; R6-T8 VanDerWaalsContact C-N 3.28Å
9V77.9Confident78.8Confident18 Ų18104.5 Ų104.511%0.10950%0.498CS..  trans-128.2120.7-176.6-173.50000110.8I5 F11 V14 F32 F33I5-V9 PolarHBondContact O-N 3.06Å; V9-F11 PolarHBondContact O-N 3.43Å; V9-V14 HydrophobicContact CG1-CG2 4.1Å; V9-F32 HydrophobicContact CG2-CB 4.23Å; V9-F33 HydrophobicContact CG2-CB 4.48Å
10K80.2Confident79.3Confident140 Ų140104.3 Ų104.361%0.60949%0.493SS*.  trans-89.895.8178.9-71.3173.9179.1175.40110.8K12 E13 V14K10-K12 VanDerWaalsContact C-N 3.31Å; K10-K12 PolarHBondContact O-N 3.43Å; K10-E13 HydrophobicContact CB-CB 3.79Å; K10-E13 WeakPolarHBondContact CD-OE2 3.29Å; K10-E13 WeakPolarHBondContact O-CA 3.34Å; K10-E13 WeakPolarHBondContact O-CB 3.48Å; K10-E13 PolarHBondContact O-N 2.93Å; K10-V14 PolarHBondContact O-N 3.04Å; K10-V14 VanDerWaalsContact O-N 3.1Å
11F83.3Confident79.7Confident75 Ų75101.3 Ų101.333%0.32949%0.49SS..Hα-helixtrans-46.8-47.2179.1174.7-104.5000114.6V9 E13 V14 M15 P22 A25 I26V9-F11 PolarHBondContact O-N 3.43Å; F11-E13 VanDerWaalsContact C-N 3.26Å; F11-E13 PolarHBondContact O-N 3.22Å; F11-V14 PolarHBondContact O-N 3.07Å; F11-M15 HydrophobicContact CD1-SD 4.09Å; F11-M15 HydrophobicContact CE1-CG 4.22Å; F11-M15 HydrophobicContact CE1-SD 3.32Å; F11-M15 WeakPolarHBondContact CE1-SD 3.45Å; F11-M15 HydrophobicContact CE2-CG 4.33Å; F11-M15 HydrophobicContact CE2-SD 4.29Å; F11-M15 HydrophobicContact CZ-CG 4.06Å; F11-M15 HydrophobicContact CZ-SD 3.45Å; F11-M15 WeakPolarHBondContact CZ-SD 3.4Å; F11-M15 PolarHBondContact O-N 3.35Å; F11-P22 WeakPolarHBondContact CE2-O 3.48Å; F11-P22 HydrophobicContact CZ-CB 4.35Å; F11-A25 HydrophobicContact CD2-CB 3.85Å; F11-A25 HydrophobicContact CE2-CB 3.37Å; F11-A25 HydrophobicContact CZ-CB 4.09Å; F11-I26 HydrophobicContact CD2-CG1 4.33Å; F11-I26 HydrophobicContact CE2-CG1 3.73Å; F11-I26 HydrophobicContact CZ-CG1 4.5Å
12K84.3Confident81Confident177 Ų17798.9 Ų98.977%0.7748%0.484SS*.Hα-helixtrans-64.2-31.1179.5-68-173.9178.2-178.30113.1K10 K16K10-K12 VanDerWaalsContact C-N 3.31Å; K10-K12 PolarHBondContact O-N 3.43Å; K12-K16 PolarHBondContact O-N 3.33Å
13E85.2Confident82Confident90 Ų9095 Ų9542%0.42147%0.473SS..Hα-helixtrans-74.2-41.3178.5-171.2168.6-178.100110.4K10 F11 M15 K16 Q17K10-E13 HydrophobicContact CB-CB 3.79Å; K10-E13 WeakPolarHBondContact CD-OE2 3.29Å; K10-E13 WeakPolarHBondContact O-CA 3.34Å; K10-E13 WeakPolarHBondContact O-CB 3.48Å; K10-E13 PolarHBondContact O-N 2.93Å; F11-E13 VanDerWaalsContact C-N 3.26Å; F11-E13 PolarHBondContact O-N 3.22Å; E13-M15 PolarHBondContact O-N 3.19Å; E13-K16 PolarHBondContact O-N 3.04Å; E13-Q17 HydrophobicContact CG-CG 4.27Å; E13-Q17 VanDerWaalsContact CG-NE2 3.32Å; E13-Q17 WeakPolarHBondContact O-CB 3.35Å; E13-Q17 VanDerWaalsContact O-CG 3.32Å; E13-Q17 WeakPolarHBondContact O-CG 3.41Å; E13-Q17 PolarHBondContact O-N 3.27Å; E13-Q17 PolarHBondContact OE1-NE2 3.1Å
14V85Confident82.8Confident8 Ų891.9 Ų91.95%0.04847%0.468CS..Hα-helixtrans-59.8-45.2173.4178.30000111.2V9 K10 F11 K16 Q17 Y18 A25 T28 F32V9-V14 HydrophobicContact CG1-CG2 4.1Å; K10-V14 PolarHBondContact O-N 3.04Å; K10-V14 VanDerWaalsContact O-N 3.1Å; F11-V14 PolarHBondContact O-N 3.07Å; V14-K16 VanDerWaalsContact C-N 3.33Å; V14-K16 PolarHBondContact O-N 3.47Å; V14-Q17 PolarHBondContact O-N 2.74Å; V14-Y18 HydrophobicContact CG1-CD2 3.94Å; V14-Y18 HydrophobicContact CG1-CE2 4.49Å; V14-Y18 WeakPolarHBondContact O-CB 3.5Å; V14-Y18 WeakPolarHBondContact O-CD2 3.3Å; V14-Y18 PolarHBondContact O-N 3.09Å; V14-A25 HydrophobicContact CG1-CB 4.22Å; V14-T28 HydrophobicContact CG1-CG2 3.91Å; V14-F32 HydrophobicContact CG2-CD2 4.46Å; V14-F32 HydrophobicContact CG2-CE2 4.38Å
15M88Confident83.3Confident58 Ų5889.5 Ų89.529%0.28646%0.456SS..Hα-helixtrans-58.3-44.2175.4-71.6-176.276.600112.2F11 E13 G19 Y20 P22 A25F11-M15 HydrophobicContact CD1-SD 4.09Å; F11-M15 HydrophobicContact CE1-CG 4.22Å; F11-M15 HydrophobicContact CE1-SD 3.32Å; F11-M15 WeakPolarHBondContact CE1-SD 3.45Å; F11-M15 HydrophobicContact CE2-CG 4.33Å; F11-M15 HydrophobicContact CE2-SD 4.29Å; F11-M15 HydrophobicContact CZ-CG 4.06Å; F11-M15 HydrophobicContact CZ-SD 3.45Å; F11-M15 WeakPolarHBondContact CZ-SD 3.4Å; F11-M15 PolarHBondContact O-N 3.35Å; E13-M15 PolarHBondContact O-N 3.19Å; M15-G19 WeakPolarHBondContact O-CA 3.31Å; M15-G19 PolarHBondContact O-N 2.86Å; M15-Y20 PolarHBondContact O-N 3.2Å; M15-P22 HydrophobicContact CE-CG 4.26Å; M15-A25 HydrophobicContact CB-CB 4.37Å; M15-A25 HydrophobicContact CG-CB 3.29Å; M15-A25 HydrophobicContact SD-CB 4.49Å
16K88.5Confident83.9Confident189 Ų18987.9 Ų87.982%0.82245%0.447SS*.Hα-helixtrans-71.8-40.2-177.4-172.8-179.3178.2-1750112.5K12 E13 V14K12-K16 PolarHBondContact O-N 3.33Å; E13-K16 PolarHBondContact O-N 3.04Å; V14-K16 VanDerWaalsContact C-N 3.33Å; V14-K16 PolarHBondContact O-N 3.47Å
17Q87.1Confident84.6Confident120 Ų12082.6 Ų82.656%0.56143%0.431SS*.Hα-helixtrans-73.9-37.8-176-74.4178.3-3.800112.4E13 V14E13-Q17 HydrophobicContact CG-CG 4.27Å; E13-Q17 VanDerWaalsContact CG-NE2 3.32Å; E13-Q17 WeakPolarHBondContact O-CB 3.35Å; E13-Q17 VanDerWaalsContact O-CG 3.32Å; E13-Q17 WeakPolarHBondContact O-CG 3.41Å; E13-Q17 PolarHBondContact O-N 3.27Å; E13-Q17 PolarHBondContact OE1-NE2 3.1Å; V14-Q17 PolarHBondContact O-N 2.74Å
18Y87.1Confident85.3Confident106 Ų10677.4 Ų77.442%0.41641%0.405SS..Hα-helixtrans-104.7-0.7-175.2-65.5-83.7000114.1V14 Y20 F32V14-Y18 HydrophobicContact CG1-CD2 3.94Å; V14-Y18 HydrophobicContact CG1-CE2 4.49Å; V14-Y18 WeakPolarHBondContact O-CB 3.5Å; V14-Y18 WeakPolarHBondContact O-CD2 3.3Å; V14-Y18 PolarHBondContact O-N 3.09Å; Y18-Y20 VanDerWaalsContact CB-CD2 3.45Å; Y18-Y20 HydrophobicContact CD1-CE2 4.16Å; Y18-Y20 HydrophobicContact CG-CD2 4.22Å; Y18-Y20 AromaticContact CG-CE2 3.8Å; Y18-Y20 HydrophobicContact CG-CE2 3.8Å; Y18-Y20 WeakPolarHBondContact O-CD1 3.36Å; Y18-Y20 PolarHBondContact O-N 3.3Å; Y18-Y20 VanDerWaalsContact O-N 3.15Å; Y18-F32 HydrophobicContact CE2-CE2 4.07Å; Y18-F32 HydrophobicContact CE2-CZ 4.1Å; Y18-F32 AromaticContact CZ-CZ 3.98Å; Y18-F32 WeakPolarHBondContact OH-CZ 3.46Å
19G85.2Confident85.9Confident69 Ų6975.5 Ų75.571%0.71139%0.393SS*.  trans65.913.9-177.700000114.5M15M15-G19 WeakPolarHBondContact O-CA 3.31Å; M15-G19 PolarHBondContact O-N 2.86Å
20Y87.3Confident86.3Confident100 Ų10075.6 Ų75.639%0.39239%0.393SS..  trans-76.3143.1-175.5-63.6-32.2000113.3M15 Y18 T28M15-Y20 PolarHBondContact O-N 3.2Å; Y18-Y20 VanDerWaalsContact CB-CD2 3.45Å; Y18-Y20 HydrophobicContact CD1-CE2 4.16Å; Y18-Y20 HydrophobicContact CG-CD2 4.22Å; Y18-Y20 AromaticContact CG-CE2 3.8Å; Y18-Y20 HydrophobicContact CG-CE2 3.8Å; Y18-Y20 WeakPolarHBondContact O-CD1 3.36Å; Y18-Y20 PolarHBondContact O-N 3.3Å; Y18-Y20 VanDerWaalsContact O-N 3.15Å; Y20-T28 HydrophobicContact CE2-CG2 4.2Å; Y20-T28 VanDerWaalsContact CE2-OG1 3.3Å; Y20-T28 WeakPolarHBondContact CE2-OG1 3.44Å
21G89.1Confident86.6Confident42 Ų4272.2 Ų72.243%0.43338%0.382SS..  trans-65.3173.716200000112.4N23 G24 A25G21-N23 PolarHBondContact O-N 3.49Å; G21-G24 PolarHBondContact O-N 3.39Å; G21-A25 PolarHBondContact O-N 3.45Å
22P86.6Confident86.8Confident80 Ų8072.1 Ų72.152%0.51938%0.381SS..Hα-helixtrans-54.1-44.9-172.2-27.534.7000114.6F11 M15 A25 I26F11-P22 WeakPolarHBondContact CE2-O 3.48Å; F11-P22 HydrophobicContact CZ-CB 4.35Å; M15-P22 HydrophobicContact CE-CG 4.26Å; P22-A25 PolarHBondContact O-N 3.4Å; P22-I26 WeakPolarHBondContact O-CG1 3.44Å; P22-I26 PolarHBondContact O-N 3.49Å
23N86.8Confident86.9Confident133 Ų13365 Ų6571%0.71135%0.35SS*.Hα-helixtrans-69.1-41.9-177.9-65.5-13.2000112.6G21 A25 I26 M27G21-N23 PolarHBondContact O-N 3.49Å; N23-A25 VanDerWaalsContact C-N 3.32Å; N23-A25 PolarHBondContact O-N 3.43Å; N23-I26 PolarHBondContact O-N 3.13Å; N23-M27 PolarHBondContact O-N 3.46Å
24G87.6Confident87Confident31 Ų3161.4 Ų61.432%0.3234%0.336SS..Hα-helixtrans-62.9-40.4176.500000111.6G21 M27 T28G21-G24 PolarHBondContact O-N 3.39Å; G24-M27 PolarHBondContact O-N 3.3Å; G24-T28 WeakPolarHBondContact O-CB 3.32Å; G24-T28 PolarHBondContact O-N 2.97Å; G24-T28 PolarHBondContact O-OG1 3.45Å
25A88Confident87.1Confident0 Ų063.5 Ų63.50%035%0.351CS..Hα-helixtrans-67.5-34.6175.500000113.2F11 V14 M15 G21 P22 N23 S29F11-A25 HydrophobicContact CD2-CB 3.85Å; F11-A25 HydrophobicContact CE2-CB 3.37Å; F11-A25 HydrophobicContact CZ-CB 4.09Å; V14-A25 HydrophobicContact CG1-CB 4.22Å; M15-A25 HydrophobicContact CB-CB 4.37Å; M15-A25 HydrophobicContact CG-CB 3.29Å; M15-A25 HydrophobicContact SD-CB 4.49Å; G21-A25 PolarHBondContact O-N 3.45Å; P22-A25 PolarHBondContact O-N 3.4Å; N23-A25 VanDerWaalsContact C-N 3.32Å; N23-A25 PolarHBondContact O-N 3.43Å; A25-S29 WeakPolarHBondContact O-CB 3.47Å; A25-S29 PolarHBondContact O-N 3.03Å; A25-S29 PolarHBondContact O-OG 3.03Å
26I86.7Confident87Confident40 Ų4064 Ų6421%0.20535%0.353CS..Hα-helixtrans-63.6-49.5173.3-69.2165.5000110.1F11 P22 N23 T28 S29 L30 V64F11-I26 HydrophobicContact CD2-CG1 4.33Å; F11-I26 HydrophobicContact CE2-CG1 3.73Å; F11-I26 HydrophobicContact CZ-CG1 4.5Å; P22-I26 WeakPolarHBondContact O-CG1 3.44Å; P22-I26 PolarHBondContact O-N 3.49Å; N23-I26 PolarHBondContact O-N 3.13Å; I26-T28 PolarHBondContact O-N 2.74Å; I26-S29 WeakPolarHBondContact O-CB 3.39Å; I26-S29 PolarHBondContact O-N 3.18Å; I26-L30 PolarHBondContact O-N 3.15Å; I26-V64 HydrophobicContact CG2-CG1 4.02Å; I26-V64 HydrophobicContact CG2-CG2 4.09Å
27M87.2Confident86.9Confident70 Ų7055.1 Ų55.135%0.34531%0.314SS..Hα-helixtrans-62.2-47-178.1-168.261.368.500111.8N23 G24 S29 L30 N31 V64 S68N23-M27 PolarHBondContact O-N 3.46Å; G24-M27 PolarHBondContact O-N 3.3Å; M27-S29 VanDerWaalsContact C-N 3.3Å; M27-S29 PolarHBondContact O-N 2.94Å; M27-L30 PolarHBondContact O-N 3.22Å; M27-N31 VanDerWaalsContact O-CG 3.29Å; M27-N31 PolarHBondContact O-N 3.45Å; M27-N31 PolarHBondContact O-OD1 3.1Å; M27-V64 HydrophobicContact CE-CG1 3.82Å; M27-V64 HydrophobicContact CE-CG2 4.48Å; M27-V64 HydrophobicContact SD-CG1 4.08Å; M27-S68 WeakPolarHBondContact SD-CB 3.19Å
28T86.7Confident86.9Confident25 Ų2554 Ų5415%0.15331%0.309CS..Hα-helixtrans-63.9-37.7176.9-59.60000111.5V14 Y20 G24 I26 L30 N31 F32V14-T28 HydrophobicContact CG1-CG2 3.91Å; Y20-T28 HydrophobicContact CE2-CG2 4.2Å; Y20-T28 VanDerWaalsContact CE2-OG1 3.3Å; Y20-T28 WeakPolarHBondContact CE2-OG1 3.44Å; G24-T28 WeakPolarHBondContact O-CB 3.32Å; G24-T28 PolarHBondContact O-N 2.97Å; G24-T28 PolarHBondContact O-OG1 3.45Å; I26-T28 PolarHBondContact O-N 2.74Å; T28-L30 VanDerWaalsContact C-N 3.33Å; T28-L30 PolarHBondContact O-N 3.34Å; T28-N31 PolarHBondContact O-N 3.24Å; T28-F32 HydrophobicContact CG2-CD2 4.04Å; T28-F32 HydrophobicContact CG2-CE2 3.49Å; T28-F32 VanDerWaalsContact CG2-CE2 3.49Å; T28-F32 HydrophobicContact CG2-CZ 3.99Å; T28-F32 VanDerWaalsContact O-CD2 3.29Å; T28-F32 WeakPolarHBondContact O-CD2 3.45Å; T28-F32 PolarHBondContact O-N 3.31Å
29S86.7Confident86.9Confident14 Ų1453.7 Ų53.710%0.09831%0.31CS..Hα-helixtrans-62.9-40.6174.7-62.60000112.1A25 I26 M27 F32 F33A25-S29 WeakPolarHBondContact O-CB 3.47Å; A25-S29 PolarHBondContact O-N 3.03Å; A25-S29 PolarHBondContact O-OG 3.03Å; I26-S29 WeakPolarHBondContact O-CB 3.39Å; I26-S29 PolarHBondContact O-N 3.18Å; M27-S29 VanDerWaalsContact C-N 3.3Å; M27-S29 PolarHBondContact O-N 2.94Å; S29-F32 PolarHBondContact O-N 3.32Å; S29-F33 WeakPolarHBondContact O-CB 3.4Å; S29-F33 PolarHBondContact O-N 2.92Å
30L86.9Confident87Confident21 Ų2151.4 Ų51.411%0.1128%0.282CS..Hα-helixtrans-66.3-38176.2-173.464.6000111.7I26 M27 T28 F33 A34 V64 S68 I74I26-L30 PolarHBondContact O-N 3.15Å; M27-L30 PolarHBondContact O-N 3.22Å; T28-L30 VanDerWaalsContact C-N 3.33Å; T28-L30 PolarHBondContact O-N 3.34Å; L30-F33 HydrophobicContact CD1-CD1 4.39Å; L30-F33 WeakPolarHBondContact O-CB 3.4Å; L30-F33 PolarHBondContact O-N 3.22Å; L30-A34 WeakPolarHBondContact O-CB 3.24Å; L30-A34 PolarHBondContact O-N 3.28Å; L30-V64 HydrophobicContact CD2-CG1 3.66Å; L30-S68 VanDerWaalsContact CD2-OG 3.29Å; L30-S68 WeakPolarHBondContact CD2-OG 3.4Å; L30-I74 HydrophobicContact CD1-CD1 3.76Å
31N85.8Confident87.1Confident68 Ų6847.1 Ų47.136%0.36427%0.266SS..Hα-helixtrans-62.5-45.2175.2-66.4-10.6000112M27 T28 F33 A34 S35 S70M27-N31 VanDerWaalsContact O-CG 3.29Å; M27-N31 PolarHBondContact O-N 3.45Å; M27-N31 PolarHBondContact O-OD1 3.1Å; T28-N31 PolarHBondContact O-N 3.24Å; N31-F33 VanDerWaalsContact C-N 3.28Å; N31-F33 PolarHBondContact O-N 3.35Å; N31-A34 PolarHBondContact O-N 3.49Å; N31-S35 PolarHBondContact O-N 3.48Å; N31-S35 VanDerWaalsContact O-N 3.16Å; N31-S70 WeakPolarHBondContact CA-OG 3.45Å; N31-S70 PolarHBondContact OD1-OG 3.34Å
32F87Confident87.1Confident74 Ų7449 Ų4933%0.32527%0.266SS..Hα-helixtrans-60.9-40.7173.6-70.7-45.4000111.8V9 V14 Y18 T28 S29 S35 Q36V9-F32 HydrophobicContact CG2-CB 4.23Å; V14-F32 HydrophobicContact CG2-CD2 4.46Å; V14-F32 HydrophobicContact CG2-CE2 4.38Å; Y18-F32 HydrophobicContact CE2-CE2 4.07Å; Y18-F32 HydrophobicContact CE2-CZ 4.1Å; Y18-F32 AromaticContact CZ-CZ 3.98Å; Y18-F32 WeakPolarHBondContact OH-CZ 3.46Å; T28-F32 HydrophobicContact CG2-CD2 4.04Å; T28-F32 HydrophobicContact CG2-CE2 3.49Å; T28-F32 VanDerWaalsContact CG2-CE2 3.49Å; T28-F32 HydrophobicContact CG2-CZ 3.99Å; T28-F32 VanDerWaalsContact O-CD2 3.29Å; T28-F32 WeakPolarHBondContact O-CD2 3.45Å; T28-F32 PolarHBondContact O-N 3.31Å; S29-F32 PolarHBondContact O-N 3.32Å; F32-S35 PolarHBondContact O-N 3.15Å; F32-S35 PolarHBondContact O-OG 3.36Å; F32-Q36 PolarHBondContact O-N 3.22Å
33F86.6Confident87.2Confident26 Ų2647.8 Ų47.811%0.11426%0.255CS..Hα-helixtrans-64.8-44.7177.5-177.7-111.5000112.5I5 V9 S29 L30 N31 S35 Q36 F37 V40 I74I5-F33 HydrophobicContact CD1-CB 3.78Å; I5-F33 HydrophobicContact CD1-CD1 3.56Å; I5-F33 HydrophobicContact CD1-CD2 3.7Å; I5-F33 HydrophobicContact CD1-CE1 3.98Å; I5-F33 HydrophobicContact CD1-CE2 4.12Å; I5-F33 HydrophobicContact CD1-CG 3.38Å; I5-F33 HydrophobicContact CD1-CZ 4.24Å; I5-F33 HydrophobicContact CG1-CB 4.34Å; I5-F33 HydrophobicContact CG1-CD1 4.4Å; I5-F33 HydrophobicContact CG1-CD2 3.63Å; I5-F33 HydrophobicContact CG1-CE2 3.95Å; I5-F33 HydrophobicContact CG1-CG 3.88Å; I5-F33 HydrophobicContact CG1-CZ 4.45Å; V9-F33 HydrophobicContact CG2-CB 4.48Å; S29-F33 WeakPolarHBondContact O-CB 3.4Å; S29-F33 PolarHBondContact O-N 2.92Å; L30-F33 HydrophobicContact CD1-CD1 4.39Å; L30-F33 WeakPolarHBondContact O-CB 3.4Å; L30-F33 PolarHBondContact O-N 3.22Å; N31-F33 VanDerWaalsContact C-N 3.28Å; N31-F33 PolarHBondContact O-N 3.35Å; F33-S35 VanDerWaalsContact C-N 3.25Å; F33-S35 PolarHBondContact O-N 3.27Å; F33-Q36 CarbonylContact O-C 3.56Å; F33-Q36 PolarHBondContact O-N 3Å; F33-F37 HydrophobicContact CD1-CD2 4.13Å; F33-F37 AromaticContact CE1-CD2 3.4Å; F33-F37 HydrophobicContact CE1-CD2 3.4Å; F33-F37 VanDerWaalsContact CE1-CD2 3.4Å; F33-F37 AromaticContact CE1-CE2 3.68Å; F33-F37 HydrophobicContact CE1-CE2 3.68Å; F33-F37 HydrophobicContact CE2-CD2 4.5Å; F33-F37 AromaticContact CZ-CD2 3.63Å; F33-F37 HydrophobicContact CZ-CD2 3.63Å; F33-F37 AromaticContact CZ-CE2 3.87Å; F33-F37 HydrophobicContact CZ-CE2 3.87Å; F33-F37 PolarHBondContact O-N 3.27Å; F33-V40 HydrophobicContact CE2-CG2 3.85Å; F33-V40 HydrophobicContact CZ-CG2 3.82Å; F33-I74 HydrophobicContact CD1-CD1 3.86Å; F33-I74 HydrophobicContact CE1-CD1 4.18Å
34A87.4Confident87.3Confident15 Ų1542.6 Ų42.612%0.12423%0.227CC..Hα-helixtrans-56.8-39.7176.800000111.8L30 N31 Q36 F37 I74L30-A34 WeakPolarHBondContact O-CB 3.24Å; L30-A34 PolarHBondContact O-N 3.28Å; N31-A34 PolarHBondContact O-N 3.49Å; A34-Q36 PolarHBondContact O-N 3.42Å; A34-F37 VanDerWaalsContact O-CB 3.28Å; A34-F37 WeakPolarHBondContact O-CB 3.28Å; A34-F37 PolarHBondContact O-N 2.99Å; A34-I74 HydrophobicContact CB-CD1 4.33Å; A34-I74 HydrophobicContact CB-CG1 4.32Å
35S86.6Confident87.4Confident53 Ų5344.5 Ų44.537%0.37123%0.229SC..Hα-helixtrans-62.7-29.3176.679.10000113.6N31 F32 F33 H38N31-S35 PolarHBondContact O-N 3.48Å; N31-S35 VanDerWaalsContact O-N 3.16Å; F32-S35 PolarHBondContact O-N 3.15Å; F32-S35 PolarHBondContact O-OG 3.36Å; F33-S35 VanDerWaalsContact C-N 3.25Å; F33-S35 PolarHBondContact O-N 3.27Å; S35-H38 PolarHBondContact O-CE1 3.39Å; S35-H38 PolarHBondContact O-ND1 2.66Å
36Q85.2Confident87.4Confident67 Ų6751 Ų5131%0.31327%0.265SS..THydrogen-bonded Turntrans-103.38.7-180-57.8-166.93000113.1F32 F33 A34 H38 K39F32-Q36 PolarHBondContact O-N 3.22Å; F33-Q36 CarbonylContact O-C 3.56Å; F33-Q36 PolarHBondContact O-N 3Å; A34-Q36 PolarHBondContact O-N 3.42Å; Q36-H38 PolarHBondContact O-N 3.45Å; Q36-K39 HydrophobicContact CB-CD 4.34Å; Q36-K39 WeakPolarHBondContact O-CB 3.45Å; Q36-K39 PolarHBondContact O-N 3.29Å
37F87.4Confident87.5Confident4 Ų451.3 Ų51.32%0.01827%0.267CS..Hα-helixtrans-67-24.9-170.6-166.7-112.6000112.9F33 A34 K39 V40 V41 I74 L77 L78F33-F37 HydrophobicContact CD1-CD2 4.13Å; F33-F37 AromaticContact CE1-CD2 3.4Å; F33-F37 HydrophobicContact CE1-CD2 3.4Å; F33-F37 VanDerWaalsContact CE1-CD2 3.4Å; F33-F37 AromaticContact CE1-CE2 3.68Å; F33-F37 HydrophobicContact CE1-CE2 3.68Å; F33-F37 HydrophobicContact CE2-CD2 4.5Å; F33-F37 AromaticContact CZ-CD2 3.63Å; F33-F37 HydrophobicContact CZ-CD2 3.63Å; F33-F37 AromaticContact CZ-CE2 3.87Å; F33-F37 HydrophobicContact CZ-CE2 3.87Å; F33-F37 PolarHBondContact O-N 3.27Å; A34-F37 VanDerWaalsContact O-CB 3.28Å; A34-F37 WeakPolarHBondContact O-CB 3.28Å; A34-F37 PolarHBondContact O-N 2.99Å; F37-K39 PolarHBondContact O-N 3.16Å; F37-V40 HydrophobicContact CD2-CB 4.08Å; F37-V40 HydrophobicContact CD2-CG2 4.11Å; F37-V40 HydrophobicContact CE2-CB 4.04Å; F37-V40 HydrophobicContact CE2-CG1 4.01Å; F37-V40 HydrophobicContact CE2-CG2 4.34Å; F37-V40 HydrophobicContact CZ-CG1 4.46Å; F37-V40 WeakPolarHBondContact O-CA 3.41Å; F37-V40 VanDerWaalsContact O-CB 3.31Å; F37-V40 WeakPolarHBondContact O-CB 3.27Å; F37-V40 PolarHBondContact O-N 3.22Å; F37-V41 HydrophobicContact CD1-CG2 4.38Å; F37-V41 HydrophobicContact CE1-CG2 4.14Å; F37-V41 PolarHBondContact O-N 3.03Å; F37-V41 VanDerWaalsContact O-N 3.12Å; F37-I74 HydrophobicContact CD1-CB 4.39Å; F37-I74 HydrophobicContact CD1-CG1 4.13Å; F37-I74 HydrophobicContact CD1-CG2 4.28Å; F37-I74 HydrophobicContact CD2-CG1 4.11Å; F37-I74 HydrophobicContact CD2-CG2 4.37Å; F37-I74 HydrophobicContact CE1-CB 4.34Å; F37-I74 HydrophobicContact CE1-CG1 4.49Å; F37-I74 HydrophobicContact CE1-CG2 3.8Å; F37-I74 HydrophobicContact CE2-CG1 4.42Å; F37-I74 HydrophobicContact CE2-CG2 3.85Å; F37-I74 HydrophobicContact CG-CG1 3.99Å; F37-I74 HydrophobicContact CZ-CG2 3.57Å; F37-L77 HydrophobicContact CD1-CB 4.19Å; F37-L77 HydrophobicContact CD1-CD2 3.55Å; F37-L77 HydrophobicContact CD1-CG 4.33Å; F37-L77 HydrophobicContact CE1-CB 4.34Å; F37-L77 HydrophobicContact CE1-CD2 4.19Å; F37-L78 HydrophobicContact CE1-CD1 4.3Å; F37-L78 HydrophobicContact CE1-CD2 4.01Å; F37-L78 HydrophobicContact CE1-CG 3.75Å; F37-L78 HydrophobicContact CZ-CD1 3.93Å; F37-L78 HydrophobicContact CZ-CD2 3.82Å; F37-L78 HydrophobicContact CZ-CG 3.77Å
38H87.2Confident87.4Confident96 Ų9651.8 Ų51.844%0.44428%0.276SS..Hα-helixtrans-52.6-38169.363.5-87.3000112.8S35 Q36 V40 V41 D42S35-H38 PolarHBondContact O-CE1 3.39Å; S35-H38 PolarHBondContact O-ND1 2.66Å; Q36-H38 PolarHBondContact O-N 3.45Å; H38-V40 PolarHBondContact O-N 3.16Å; H38-V41 WeakPolarHBondContact O-CB 3.34Å; H38-V41 PolarHBondContact O-N 2.64Å; H38-V41 VanDerWaalsContact O-N 3.15Å; H38-D42 VanDerWaalsContact O-CG 3.26Å; H38-D42 PolarHBondContact O-N 2.94Å
39K87.4Confident87.3Confident100 Ų10054.5 Ų54.544%0.43531%0.31SS..Hα-helixtrans-63.5-31.1176.8-57.5-178.8-176.11700112.1Q36 F37 I43Q36-K39 HydrophobicContact CB-CD 4.34Å; Q36-K39 WeakPolarHBondContact O-CB 3.45Å; Q36-K39 PolarHBondContact O-N 3.29Å; F37-K39 PolarHBondContact O-N 3.16Å; K39-I43 VanDerWaalsContact O-CD1 3.28Å; K39-I43 WeakPolarHBondContact O-CD1 3.28Å; K39-I43 VanDerWaalsContact O-CG1 3.24Å; K39-I43 WeakPolarHBondContact O-CG1 3.31Å; K39-I43 PolarHBondContact O-N 3.23Å
40V87.5Confident87.4Confident20 Ų2060.8 Ų60.812%0.12134%0.335CS..Hα-helixtrans-73.3-43176.9178.70000109.3F33 F37 H38 D42 I43 I44F33-V40 HydrophobicContact CE2-CG2 3.85Å; F33-V40 HydrophobicContact CZ-CG2 3.82Å; F37-V40 HydrophobicContact CD2-CB 4.08Å; F37-V40 HydrophobicContact CD2-CG2 4.11Å; F37-V40 HydrophobicContact CE2-CB 4.04Å; F37-V40 HydrophobicContact CE2-CG1 4.01Å; F37-V40 HydrophobicContact CE2-CG2 4.34Å; F37-V40 HydrophobicContact CZ-CG1 4.46Å; F37-V40 WeakPolarHBondContact O-CA 3.41Å; F37-V40 VanDerWaalsContact O-CB 3.31Å; F37-V40 WeakPolarHBondContact O-CB 3.27Å; F37-V40 PolarHBondContact O-N 3.22Å; H38-V40 PolarHBondContact O-N 3.16Å; V40-D42 VanDerWaalsContact C-N 3.32Å; V40-D42 PolarHBondContact O-N 3.43Å; V40-I43 PolarHBondContact O-N 3.27Å; V40-I44 HydrophobicContact CG1-CD1 4.04Å; V40-I44 WeakPolarHBondContact O-CG1 3.28Å; V40-I44 PolarHBondContact O-N 3.2Å
41V88.9Confident87.5Confident11 Ų1164 Ų647%0.06735%0.347CS..Hα-helixtrans-57.2-44.8173.2172.40000111.3F37 H38 I43 I44 N45 L77 F82F37-V41 HydrophobicContact CD1-CG2 4.38Å; F37-V41 HydrophobicContact CE1-CG2 4.14Å; F37-V41 PolarHBondContact O-N 3.03Å; F37-V41 VanDerWaalsContact O-N 3.12Å; H38-V41 WeakPolarHBondContact O-CB 3.34Å; H38-V41 PolarHBondContact O-N 2.64Å; H38-V41 VanDerWaalsContact O-N 3.15Å; V41-I43 VanDerWaalsContact C-N 3.33Å; V41-I43 PolarHBondContact O-N 3.46Å; V41-I44 PolarHBondContact O-N 3.23Å; V41-I44 VanDerWaalsContact O-N 3.16Å; V41-N45 WeakPolarHBondContact O-CB 3.5Å; V41-N45 PolarHBondContact O-N 3.04Å; V41-N45 PolarHBondContact O-ND2 3.43Å; V41-L77 HydrophobicContact CG2-CD2 3.71Å; V41-L77 HydrophobicContact CG2-CG 4.03Å; V41-F82 HydrophobicContact CB-CE2 4.46Å; V41-F82 HydrophobicContact CG1-CE2 3.87Å; V41-F82 HydrophobicContact CG1-CZ 4.04Å; V41-F82 HydrophobicContact CG2-CE2 4.44Å
42D89.5Confident87.5Confident82 Ų8266.2 Ų66.244%0.43937%0.368SS..Hα-helixtrans-61.4-40.9176.8-64.2-27.7000112.2H38 V40 I44 N45 N46H38-D42 VanDerWaalsContact O-CG 3.26Å; H38-D42 PolarHBondContact O-N 2.94Å; V40-D42 VanDerWaalsContact C-N 3.32Å; V40-D42 PolarHBondContact O-N 3.43Å; D42-I44 VanDerWaalsContact C-N 3.34Å; D42-N45 PolarHBondContact O-N 3.02Å; D42-N46 WeakPolarHBondContact O-CB 3.33Å; D42-N46 PolarHBondContact O-N 3.42Å; D42-N46 PolarHBondContact O-ND2 3.39Å
43I87.9Confident87.7Confident53 Ų5369.2 Ų69.227%0.27238%0.378SS..Hα-helixtrans-65.3-39.7176.2-71.5161.8000111.1M1 K3 K39 V40 V41 N47M1-I43 HydrophobicContact CE-CG2 3.92Å; M1-I43 HydrophobicContact SD-CG2 4.34Å; K3-I43 HydrophobicContact CD-CD1 4.24Å; K39-I43 VanDerWaalsContact O-CD1 3.28Å; K39-I43 WeakPolarHBondContact O-CD1 3.28Å; K39-I43 VanDerWaalsContact O-CG1 3.24Å; K39-I43 WeakPolarHBondContact O-CG1 3.31Å; K39-I43 PolarHBondContact O-N 3.23Å; V40-I43 PolarHBondContact O-N 3.27Å; V41-I43 VanDerWaalsContact C-N 3.33Å; V41-I43 PolarHBondContact O-N 3.46Å; I43-N47 PolarHBondContact O-N 3.04Å; I43-N47 PolarHBondContact O-ND2 3.24Å
44I89.3Confident87.9Confident24 Ų2472 Ų7212%0.12340%0.397CS..Hα-helixtrans-63.7-48175.6-67.5165.7000109.5V40 V41 D42 N46 N47 S48 V54 L78 F82V40-I44 HydrophobicContact CG1-CD1 4.04Å; V40-I44 WeakPolarHBondContact O-CG1 3.28Å; V40-I44 PolarHBondContact O-N 3.2Å; V41-I44 PolarHBondContact O-N 3.23Å; V41-I44 VanDerWaalsContact O-N 3.16Å; D42-I44 VanDerWaalsContact C-N 3.34Å; I44-N46 PolarHBondContact O-N 3.04Å; I44-N47 CarbonylContact O-C 3.44Å; I44-N47 PolarHBondContact O-N 2.97Å; I44-N47 VanDerWaalsContact O-N 3.09Å; I44-S48 PolarHBondContact O-N 3.49Å; I44-V54 HydrophobicContact CD1-CG1 4.19Å; I44-V54 HydrophobicContact CG1-CG1 4.34Å; I44-V54 HydrophobicContact CG1-CG2 4.46Å; I44-V54 HydrophobicContact CG2-CG2 4.03Å; I44-L78 HydrophobicContact CD1-CD2 4.39Å; I44-F82 HydrophobicContact CB-CE2 4.19Å; I44-F82 HydrophobicContact CB-CZ 3.96Å; I44-F82 HydrophobicContact CD1-CE2 4.44Å; I44-F82 HydrophobicContact CG2-CD1 4.36Å; I44-F82 HydrophobicContact CG2-CD2 4.38Å; I44-F82 HydrophobicContact CG2-CE1 3.8Å; I44-F82 HydrophobicContact CG2-CE2 3.83Å; I44-F82 HydrophobicContact CG2-CZ 3.51Å
45N88.7Confident88.1Confident71 Ų7178.6 Ų78.638%0.3843%0.428SS..Hα-helixtrans-56.6-48.5177.4-82.9-33.5000112.4V41 D42 N47 S48 F82V41-N45 WeakPolarHBondContact O-CB 3.5Å; V41-N45 PolarHBondContact O-N 3.04Å; V41-N45 PolarHBondContact O-ND2 3.43Å; D42-N45 PolarHBondContact O-N 3.02Å; N45-N47 PolarHBondContact O-N 3.31Å; N45-S48 VanDerWaalsContact O-CB 3.32Å; N45-S48 WeakPolarHBondContact O-CB 3.49Å; N45-S48 PolarHBondContact O-N 3.13Å; N45-S48 VanDerWaalsContact O-N 3.16Å; N45-S48 PolarHBondContact O-OG 3.46Å; N45-F82 WeakPolarHBondContact OD1-CE1 3.47Å; N45-F82 VanDerWaalsContact OD1-CZ 3.22Å; N45-F82 WeakPolarHBondContact OD1-CZ 3.29Å
46N89.9Confident88.2Confident138 Ų13880.1 Ų80.174%0.73843%0.431SS*.Hα-helixtrans-62.5-24.6179.3-71.9-23.5000113.3D42 I44D42-N46 WeakPolarHBondContact O-CB 3.33Å; D42-N46 PolarHBondContact O-N 3.42Å; D42-N46 PolarHBondContact O-ND2 3.39Å; I44-N46 PolarHBondContact O-N 3.04Å
47N88.3Confident88.3Confident46 Ų4683 Ų8325%0.24645%0.449CS..Hα-helixtrans-105.64-180-69.5-69.4000113.7I43 I44 N45 G49 K50 Y51I43-N47 PolarHBondContact O-N 3.04Å; I43-N47 PolarHBondContact O-ND2 3.24Å; I44-N47 CarbonylContact O-C 3.44Å; I44-N47 PolarHBondContact O-N 2.97Å; I44-N47 VanDerWaalsContact O-N 3.09Å; N45-N47 PolarHBondContact O-N 3.31Å; N47-G49 PolarHBondContact O-N 3.24Å; N47-K50 PolarHBondContact O-N 3.32Å; N47-Y51 HydrophobicContact CB-CD2 3.96Å; N47-Y51 HydrophobicContact CB-CE2 4.22Å; N47-Y51 PolarHBondContact O-N 3.23Å; N47-Y51 VanDerWaalsContact O-N 3.16Å
48S83.6Confident88Confident79 Ų7985.4 Ų85.455%0.55246%0.464SS*.THydrogen-bonded Turntrans-58.7-31.7-177.459.20000113.2I44 N45 K50I44-S48 PolarHBondContact O-N 3.49Å; N45-S48 VanDerWaalsContact O-CB 3.32Å; N45-S48 WeakPolarHBondContact O-CB 3.49Å; N45-S48 PolarHBondContact O-N 3.13Å; N45-S48 VanDerWaalsContact O-N 3.16Å; N45-S48 PolarHBondContact O-OG 3.46Å; S48-K50 VanDerWaalsContact C-N 3.31Å; S48-K50 PolarHBondContact O-N 2.93Å
49G85.9Confident87Confident83 Ų8385.4 Ų85.486%0.85647%0.472SS*.THydrogen-bonded Turntrans-75.9-13.5174.900000114.9N47N47-G49 PolarHBondContact O-N 3.24Å
50K88.2Confident86.3Confident146 Ų14684.4 Ų84.464%0.63549%0.49SS*.THydrogen-bonded Turntrans-103.4-32.8-175.9-176.7173.7178176.10113.2N47 S48N47-K50 PolarHBondContact O-N 3.32Å; S48-K50 VanDerWaalsContact C-N 3.31Å; S48-K50 PolarHBondContact O-N 2.93Å
51Y88.5Confident86.1Confident88 Ų8887.2 Ų87.235%0.34550%0.502SS..  trans-126.8131.4-177.1-54.2-73.8000110.4M1 N47M1-Y51 HydrophobicContact CB-CE2 4.03Å; N47-Y51 HydrophobicContact CB-CD2 3.96Å; N47-Y51 HydrophobicContact CB-CE2 4.22Å; N47-Y51 PolarHBondContact O-N 3.23Å; N47-Y51 VanDerWaalsContact O-N 3.16Å
52S87.1Confident85.9Confident115 Ų11589.7 Ų89.780%0.80452%0.515SS*.SBendtrans-81.6-26.3178.6-51.50000113.3
53Y90.5Very high85.8Confident136 Ų13692 Ų9253%0.53352%0.522SS..  trans-128.6140.6-176.3-59.1-77000110.9I212Y53-I212 HydrophobicContact CE1-CG2 4Å
54V91.3Very high85.6Confident85 Ų8590.6 Ų90.652%0.51552%0.517SS..  trans-121.2119.8171.6179.90000107.5I44 I56I44-V54 HydrophobicContact CD1-CG1 4.19Å; I44-V54 HydrophobicContact CG1-CG1 4.34Å; I44-V54 HydrophobicContact CG1-CG2 4.46Å; I44-V54 HydrophobicContact CG2-CG2 4.03Å; V54-I56 HydrophobicContact CG1-CG1 4.26Å
55I91.6Very high85.4Confident154 Ų15491 Ų9179%0.7952%0.517SS*.  trans-100.3125.5176.8-59.5170.9000107.4
56I89Confident85.3Confident85 Ų8587.7 Ų87.744%0.43650%0.5SS..  trans-110.9106.5174-58.4176.1000106.5V54 L78V54-I56 HydrophobicContact CG1-CG1 4.26Å; I56-L78 HydrophobicContact CD1-CD1 3.37Å; I56-L78 HydrophobicContact CD1-CD2 3.9Å; I56-L78 HydrophobicContact CD1-CG 4.27Å
57D87.5Confident85.1Confident128 Ų12888.2 Ų88.268%0.68449%0.492SS*.  trans-93.6133.8179.8-173.418.8000110.6P59D57-P59 WeakPolarHBondContact O-CD 3.32Å
58T81Confident85.1Confident54 Ų5486.4 Ų86.433%0.33148%0.482SS..  trans-123.170.1-179.952.70000110G60 F65T58-G60 PolarHBondContact O-N 3.18Å; T58-G60 VanDerWaalsContact O-N 3.15Å; T58-F65 HydrophobicContact CG2-CD2 4.09Å; T58-F65 HydrophobicContact CG2-CE2 4.45Å; T58-F65 HydrophobicContact CG2-CG 4.2Å
59P66Low85.3Confident95 Ų9586.1 Ų86.162%0.61749%0.485SS*.THydrogen-bonded Turntrans-64.3120.1-168.325.5-35.2000111.9D57 Q61D57-P59 WeakPolarHBondContact O-CD 3.32Å; P59-Q61 WeakPolarHBondContact O-CG 3.5Å; P59-Q61 PolarHBondContact O-N 3.4Å
60G72.7Confident85.3Confident79 Ų7982.5 Ų82.581%0.81445%0.446SS*.THydrogen-bonded Turntrans62.79.3171.400000115.9T58T58-G60 PolarHBondContact O-N 3.18Å; T58-G60 VanDerWaalsContact O-N 3.15Å
61Q81.7Confident85.3Confident79 Ų7975.5 Ų75.537%0.36942%0.416SS..  trans-122.331-174.6-63.5-61.8-20.500111.5P59 E63 V64 F65P59-Q61 WeakPolarHBondContact O-CG 3.5Å; P59-Q61 PolarHBondContact O-N 3.4Å; Q61-E63 PolarHBondContact O-N 3.2Å; Q61-V64 HydrophobicContact CB-CB 4.46Å; Q61-V64 PolarHBondContact O-N 2.91Å; Q61-V64 VanDerWaalsContact OE1-CG2 3.29Å; Q61-F65 PolarHBondContact O-N 3.44Å
62I86.5Confident85.2Confident64 Ų6473.1 Ų73.133%0.32841%0.412SS..Hα-helixtrans-57.5-35.2179.3-171.6159.8000111.7F65 T66 Y88 Y107 V111I62-F65 PolarHBondContact O-N 2.89Å; I62-T66 WeakPolarHBondContact O-CB 3.4Å; I62-T66 PolarHBondContact O-N 3.12Å; I62-T66 PolarHBondContact O-OG1 2.91Å; I62-Y88 HydrophobicContact CD1-CD2 4.13Å; I62-Y88 HydrophobicContact CD1-CE2 3.75Å; I62-Y107 HydrophobicContact CD1-CE1 3.66Å; I62-Y107 HydrophobicContact CG1-CE1 3.91Å; I62-Y107 HydrophobicContact CG2-CE1 4.22Å; I62-Y107 WeakPolarHBondContact CG2-OH 3.11Å; I62-V111 HydrophobicContact CD1-CG2 4.41Å
63E86.2Confident85.4Confident129 Ų12971.8 Ų71.860%0.60340%0.395SS*.Hα-helixtrans-66.6-48177.6-68.4-179.3-179.600112.1Q61 F65 T66 W67Q61-E63 PolarHBondContact O-N 3.2Å; E63-F65 PolarHBondContact O-N 3.15Å; E63-T66 PolarHBondContact O-N 3.26Å; E63-W67 WeakPolarHBondContact O-CB 3.46Å; E63-W67 PolarHBondContact O-N 3.21Å
64V84.3Confident85.3Confident25 Ų2565.5 Ų65.515%0.15237%0.371CS..Hα-helixtrans-61.8-38.7177.8-178.50000109.6I26 M27 L30 Q61 S68I26-V64 HydrophobicContact CG2-CG1 4.02Å; I26-V64 HydrophobicContact CG2-CG2 4.09Å; M27-V64 HydrophobicContact CE-CG1 3.82Å; M27-V64 HydrophobicContact CE-CG2 4.48Å; M27-V64 HydrophobicContact SD-CG1 4.08Å; L30-V64 HydrophobicContact CD2-CG1 3.66Å; Q61-V64 HydrophobicContact CB-CB 4.46Å; Q61-V64 PolarHBondContact O-N 2.91Å; Q61-V64 VanDerWaalsContact OE1-CG2 3.29Å; V64-S68 WeakPolarHBondContact O-CB 3.22Å; V64-S68 PolarHBondContact O-N 3.37Å; V64-S68 PolarHBondContact O-OG 3.01Å
65F84.3Confident85.2Confident31 Ų3161.8 Ų61.814%0.13635%0.348CS..Hα-helixtrans-74.8-37.5179.1-167.3-100.6000113.4T58 Q61 I62 E63 G71 I74 T75 M115T58-F65 HydrophobicContact CG2-CD2 4.09Å; T58-F65 HydrophobicContact CG2-CE2 4.45Å; T58-F65 HydrophobicContact CG2-CG 4.2Å; Q61-F65 PolarHBondContact O-N 3.44Å; I62-F65 PolarHBondContact O-N 2.89Å; E63-F65 PolarHBondContact O-N 3.15Å; F65-G71 VanDerWaalsContact O-CA 3.29Å; F65-G71 WeakPolarHBondContact O-CA 3.49Å; F65-I74 HydrophobicContact CE2-CB 4.16Å; F65-I74 HydrophobicContact CE2-CD1 4.43Å; F65-I74 HydrophobicContact CE2-CG2 3.81Å; F65-I74 HydrophobicContact CZ-CG2 4.02Å; F65-T75 VanDerWaalsContact CE1-OG1 3.25Å; F65-T75 WeakPolarHBondContact CE1-OG1 3.5Å; F65-T75 WeakPolarHBondContact CZ-OG1 3.3Å; F65-M115 HydrophobicContact CD1-CE 3.68Å; F65-M115 HydrophobicContact CE1-CE 3.8Å
66T86.5Confident85Confident2 Ų259.2 Ų59.21%0.01233%0.333CS..Hα-helixtrans-80-38.9-176.4-54.60000112.3I62 E63 V111 K114 M115I62-T66 WeakPolarHBondContact O-CB 3.4Å; I62-T66 PolarHBondContact O-N 3.12Å; I62-T66 PolarHBondContact O-OG1 2.91Å; E63-T66 PolarHBondContact O-N 3.26Å; T66-V111 HydrophobicContact CG2-CG2 4.11Å; T66-K114 HydrophobicContact CG2-CB 4.33Å; T66-K114 HydrophobicContact CG2-CG 3.96Å; T66-K114 VanDerWaalsContact O-CE 3.29Å; T66-K114 WeakPolarHBondContact O-CE 3.48Å; T66-M115 HydrophobicContact CG2-CE 4.27Å
67W86.3Confident85Confident150 Ų15057.4 Ų57.457%0.56832%0.324SS*.Hα-helixtrans-100.4-14-172.3-57.9115.8000114.1E63E63-W67 WeakPolarHBondContact O-CB 3.46Å; E63-W67 PolarHBondContact O-N 3.21Å
68S88.1Confident85.2Confident7 Ų751.8 Ų51.85%0.04929%0.294CS..SBendtrans-79.1149.9174.973.50000112.7M27 L30 V64 S70 G71 S72M27-S68 WeakPolarHBondContact SD-CB 3.19Å; L30-S68 VanDerWaalsContact CD2-OG 3.29Å; L30-S68 WeakPolarHBondContact CD2-OG 3.4Å; V64-S68 WeakPolarHBondContact O-CB 3.22Å; V64-S68 PolarHBondContact O-N 3.37Å; V64-S68 PolarHBondContact O-OG 3.01Å; S68-S70 PolarHBondContact O-N 3.23Å; S68-G71 PolarHBondContact O-N 3.2Å; S68-G71 PolarHBondContact OG-N 2.64Å; S68-S72 PolarHBondContact O-N 3.36Å; S68-S72 PolarHBondContact O-OG 3.5Å
69A87.2Confident85.6Confident73 Ų7349.3 Ų49.360%0.60328%0.279SS*.Hα-helixtrans-58.4-39.6168.400000111.2G71 S72 I73A69-G71 PolarHBondContact O-N 3Å; A69-S72 WeakPolarHBondContact O-CB 3.22Å; A69-S72 PolarHBondContact O-N 2.83Å; A69-I73 VanDerWaalsContact O-CG1 3.29Å; A69-I73 WeakPolarHBondContact O-CG1 3.34Å; A69-I73 PolarHBondContact O-N 2.81Å
70S86.8Confident86.6Confident7 Ų747.4 Ų47.45%0.04926%0.263CS..Hα-helixtrans-64.9-39.1-179.4-70.30000113.3N31 S68 I73 I74N31-S70 WeakPolarHBondContact CA-OG 3.45Å; N31-S70 PolarHBondContact OD1-OG 3.34Å; S68-S70 PolarHBondContact O-N 3.23Å; S70-I73 PolarHBondContact O-N 2.85Å; S70-I74 WeakPolarHBondContact O-CB 3.48Å; S70-I74 WeakPolarHBondContact O-CD1 3.29Å; S70-I74 VanDerWaalsContact O-CG1 3.22Å; S70-I74 WeakPolarHBondContact O-CG1 3.44Å; S70-I74 PolarHBondContact O-N 2.94Å
71G87.8Confident87.3Confident0 Ų046.1 Ų46.10%024%0.242CC..Hα-helixtrans-65.4-40.4174.300000112.4F65 S68 A69 I73 I74 T75F65-G71 VanDerWaalsContact O-CA 3.29Å; F65-G71 WeakPolarHBondContact O-CA 3.49Å; S68-G71 PolarHBondContact O-N 3.2Å; S68-G71 PolarHBondContact OG-N 2.64Å; A69-G71 PolarHBondContact O-N 3Å; G71-I73 PolarHBondContact O-N 3.37Å; G71-I74 PolarHBondContact O-N 2.98Å; G71-T75 PolarHBondContact O-N 3.4Å; G71-T75 PolarHBondContact O-OG1 3.24Å; G71-T75 VanDerWaalsContact O-OG1 3.07Å
72S88Confident87.8Confident37 Ų3744 Ų4426%0.25923%0.232SC..Hα-helixtrans-61.1-43.9173.5-59.60000111.9S68 A69 I74 T75 E76S68-S72 PolarHBondContact O-N 3.36Å; S68-S72 PolarHBondContact O-OG 3.5Å; A69-S72 WeakPolarHBondContact O-CB 3.22Å; A69-S72 PolarHBondContact O-N 2.83Å; S72-I74 VanDerWaalsContact C-N 3.34Å; S72-I74 PolarHBondContact O-N 3.19Å; S72-T75 PolarHBondContact O-N 3.24Å; S72-E76 VanDerWaalsContact O-CB 3.26Å; S72-E76 WeakPolarHBondContact O-CB 3.29Å; S72-E76 PolarHBondContact O-N 3.02Å
73I89.4Confident88Confident87 Ų8744.1 Ų44.145%0.44624%0.237SC..Hα-helixtrans-61.2-43.3176.8-68.1162.8000111.2A69 S70 G71 L77A69-I73 VanDerWaalsContact O-CG1 3.29Å; A69-I73 WeakPolarHBondContact O-CG1 3.34Å; A69-I73 PolarHBondContact O-N 2.81Å; S70-I73 PolarHBondContact O-N 2.85Å; G71-I73 PolarHBondContact O-N 3.37Å; I73-L77 WeakPolarHBondContact O-CB 3.49Å; I73-L77 PolarHBondContact O-N 3.44Å
74I89.5Confident88.4Confident4 Ų439 Ų392%0.02122%0.215CC..Hα-helixtrans-63.9-50.6179.5-72.8163.5000110.4L30 F33 A34 F37 F65 S70 G71 S72 E76 L77 L78L30-I74 HydrophobicContact CD1-CD1 3.76Å; F33-I74 HydrophobicContact CD1-CD1 3.86Å; F33-I74 HydrophobicContact CE1-CD1 4.18Å; A34-I74 HydrophobicContact CB-CD1 4.33Å; A34-I74 HydrophobicContact CB-CG1 4.32Å; F37-I74 HydrophobicContact CD1-CB 4.39Å; F37-I74 HydrophobicContact CD1-CG1 4.13Å; F37-I74 HydrophobicContact CD1-CG2 4.28Å; F37-I74 HydrophobicContact CD2-CG1 4.11Å; F37-I74 HydrophobicContact CD2-CG2 4.37Å; F37-I74 HydrophobicContact CE1-CB 4.34Å; F37-I74 HydrophobicContact CE1-CG1 4.49Å; F37-I74 HydrophobicContact CE1-CG2 3.8Å; F37-I74 HydrophobicContact CE2-CG1 4.42Å; F37-I74 HydrophobicContact CE2-CG2 3.85Å; F37-I74 HydrophobicContact CG-CG1 3.99Å; F37-I74 HydrophobicContact CZ-CG2 3.57Å; F65-I74 HydrophobicContact CE2-CB 4.16Å; F65-I74 HydrophobicContact CE2-CD1 4.43Å; F65-I74 HydrophobicContact CE2-CG2 3.81Å; F65-I74 HydrophobicContact CZ-CG2 4.02Å; S70-I74 WeakPolarHBondContact O-CB 3.48Å; S70-I74 WeakPolarHBondContact O-CD1 3.29Å; S70-I74 VanDerWaalsContact O-CG1 3.22Å; S70-I74 WeakPolarHBondContact O-CG1 3.44Å; S70-I74 PolarHBondContact O-N 2.94Å; G71-I74 PolarHBondContact O-N 2.98Å; S72-I74 VanDerWaalsContact C-N 3.34Å; S72-I74 PolarHBondContact O-N 3.19Å; I74-E76 VanDerWaalsContact C-N 3.34Å; I74-E76 PolarHBondContact O-N 3.37Å; I74-L77 PolarHBondContact O-N 2.57Å; I74-L78 HydrophobicContact CG2-CD1 4Å; I74-L78 WeakPolarHBondContact O-CG 3.1Å; I74-L78 PolarHBondContact O-N 3.15Å
75T89.1Confident88.8Confident8 Ų839.9 Ų39.95%0.04922%0.218CC..Hα-helixtrans-62.9-40.6179.7-57.80000111.6F65 G71 S72 L78 G79 M115 L117F65-T75 VanDerWaalsContact CE1-OG1 3.25Å; F65-T75 WeakPolarHBondContact CE1-OG1 3.5Å; F65-T75 WeakPolarHBondContact CZ-OG1 3.3Å; G71-T75 PolarHBondContact O-N 3.4Å; G71-T75 PolarHBondContact O-OG1 3.24Å; G71-T75 VanDerWaalsContact O-OG1 3.07Å; S72-T75 PolarHBondContact O-N 3.24Å; T75-L78 PolarHBondContact O-N 3.16Å; T75-G79 PolarHBondContact O-N 3.01Å; T75-M115 HydrophobicContact CG2-CB 4.48Å; T75-M115 HydrophobicContact CG2-SD 3.78Å; T75-L117 HydrophobicContact CG2-CD1 3.34Å; T75-L117 HydrophobicContact CG2-CG 4.26Å
76E87.7Confident89.3Confident100 Ų10039.9 Ų39.947%0.46722%0.219SC..Hα-helixtrans-65.5-42.6176.6-177.4174.2178.900111.8S72 I74 L78 G79 N80S72-E76 VanDerWaalsContact O-CB 3.26Å; S72-E76 WeakPolarHBondContact O-CB 3.29Å; S72-E76 PolarHBondContact O-N 3.02Å; I74-E76 VanDerWaalsContact C-N 3.34Å; I74-E76 PolarHBondContact O-N 3.37Å; E76-L78 VanDerWaalsContact C-N 3.35Å; E76-L78 PolarHBondContact O-N 3.15Å; E76-G79 PolarHBondContact O-N 3.11Å; E76-N80 WeakPolarHBondContact O-CB 3.41Å; E76-N80 VanDerWaalsContact O-CG 3.23Å; E76-N80 PolarHBondContact O-N 2.94Å; E76-N80 PolarHBondContact O-ND2 3.45Å
77L89.4Confident89.6Confident46 Ų4643.2 Ų43.224%0.24124%0.236CC..Hα-helixtrans-64.5-41.6178.1-170.764.6000111.5F37 V41 I73 I74 S81F37-L77 HydrophobicContact CD1-CB 4.19Å; F37-L77 HydrophobicContact CD1-CD2 3.55Å; F37-L77 HydrophobicContact CD1-CG 4.33Å; F37-L77 HydrophobicContact CE1-CB 4.34Å; F37-L77 HydrophobicContact CE1-CD2 4.19Å; V41-L77 HydrophobicContact CG2-CD2 3.71Å; V41-L77 HydrophobicContact CG2-CG 4.03Å; I73-L77 WeakPolarHBondContact O-CB 3.49Å; I73-L77 PolarHBondContact O-N 3.44Å; I74-L77 PolarHBondContact O-N 2.57Å; L77-S81 VanDerWaalsContact O-CB 3.3Å; L77-S81 WeakPolarHBondContact O-CB 3.31Å; L77-S81 PolarHBondContact O-N 2.9Å; L77-S81 VanDerWaalsContact O-N 3.15Å; L77-S81 PolarHBondContact O-OG 3.26Å
78L90.7Very high90Very high11 Ų1137.1 Ų37.16%0.05821%0.213CC..Hα-helixtrans-63.4-51.6174.1-72167.8000111.1F37 I44 I56 I74 T75 E76 N80 S81 F82 T84F37-L78 HydrophobicContact CE1-CD1 4.3Å; F37-L78 HydrophobicContact CE1-CD2 4.01Å; F37-L78 HydrophobicContact CE1-CG 3.75Å; F37-L78 HydrophobicContact CZ-CD1 3.93Å; F37-L78 HydrophobicContact CZ-CD2 3.82Å; F37-L78 HydrophobicContact CZ-CG 3.77Å; I44-L78 HydrophobicContact CD1-CD2 4.39Å; I56-L78 HydrophobicContact CD1-CD1 3.37Å; I56-L78 HydrophobicContact CD1-CD2 3.9Å; I56-L78 HydrophobicContact CD1-CG 4.27Å; I74-L78 HydrophobicContact CG2-CD1 4Å; I74-L78 WeakPolarHBondContact O-CG 3.1Å; I74-L78 PolarHBondContact O-N 3.15Å; T75-L78 PolarHBondContact O-N 3.16Å; E76-L78 VanDerWaalsContact C-N 3.35Å; E76-L78 PolarHBondContact O-N 3.15Å; L78-N80 PolarHBondContact O-N 3.18Å; L78-S81 PolarHBondContact O-N 3.09Å; L78-F82 HydrophobicContact CD2-CD2 4.32Å; L78-F82 PolarHBondContact O-N 2.69Å; L78-F82 VanDerWaalsContact O-O 3.05Å; L78-T84 VanDerWaalsContact C-OG1 3.22Å; L78-T84 HydrophobicContact CB-CG2 4.08Å; L78-T84 PolarHBondContact O-OG1 3.16Å; L78-T84 VanDerWaalsContact O-OG1 3.12Å
79G89Confident90.3Very high2 Ų240.9 Ų40.92%0.02124%0.236CC..Hα-helixtrans-61.9-25.7-17900000113.7T75 E76 Y219 L227T75-G79 PolarHBondContact O-N 3.01Å; E76-G79 PolarHBondContact O-N 3.11Å; G79-Y219 WeakPolarHBondContact O-CE2 2.96Å; G79-Y219 PolarHBondContact O-OH 3.16Å; G79-L227 VanDerWaalsContact O-CD1 3.31Å; G79-L227 WeakPolarHBondContact O-CD1 3.36Å
80N87.6Confident90.6Very high54 Ų5437.7 Ų37.729%0.28921%0.208SC..Hα-helixtrans-84.8-27.7173.4-73.3-30.8000113.4E76 L78E76-N80 WeakPolarHBondContact O-CB 3.41Å; E76-N80 VanDerWaalsContact O-CG 3.23Å; E76-N80 PolarHBondContact O-N 2.94Å; E76-N80 PolarHBondContact O-ND2 3.45Å; L78-N80 PolarHBondContact O-N 3.18Å
81S88Confident90.9Very high53 Ų5338.9 Ų38.937%0.37121%0.214SC..Hα-helixtrans-95.8-31.5-172.3-53.90000112.8L77 L78L77-S81 VanDerWaalsContact O-CB 3.3Å; L77-S81 WeakPolarHBondContact O-CB 3.31Å; L77-S81 PolarHBondContact O-N 2.9Å; L77-S81 VanDerWaalsContact O-N 3.15Å; L77-S81 PolarHBondContact O-OG 3.26Å; L78-S81 PolarHBondContact O-N 3.09Å
82F91.2Very high91.2Very high35 Ų3538.9 Ų38.915%0.15421%0.214CC..SBendtrans-142.4152.5-171.8-53.3-71.7000111.6V41 I44 N45 L78 T84 Y219V41-F82 HydrophobicContact CB-CE2 4.46Å; V41-F82 HydrophobicContact CG1-CE2 3.87Å; V41-F82 HydrophobicContact CG1-CZ 4.04Å; V41-F82 HydrophobicContact CG2-CE2 4.44Å; I44-F82 HydrophobicContact CB-CE2 4.19Å; I44-F82 HydrophobicContact CB-CZ 3.96Å; I44-F82 HydrophobicContact CD1-CE2 4.44Å; I44-F82 HydrophobicContact CG2-CD1 4.36Å; I44-F82 HydrophobicContact CG2-CD2 4.38Å; I44-F82 HydrophobicContact CG2-CE1 3.8Å; I44-F82 HydrophobicContact CG2-CE2 3.83Å; I44-F82 HydrophobicContact CG2-CZ 3.51Å; N45-F82 WeakPolarHBondContact OD1-CE1 3.47Å; N45-F82 VanDerWaalsContact OD1-CZ 3.22Å; N45-F82 WeakPolarHBondContact OD1-CZ 3.29Å; L78-F82 HydrophobicContact CD2-CD2 4.32Å; L78-F82 PolarHBondContact O-N 2.69Å; L78-F82 VanDerWaalsContact O-O 3.05Å; F82-T84 PolarHBondContact O-N 2.81Å; F82-T84 PolarHBondContact O-OG1 3.42Å; F82-Y219 PolarHBondContact O-OH 2.86Å; F82-Y219 VanDerWaalsContact O-OH 3.12Å
83P92Very high91.4Very high65 Ų6538.9 Ų38.942%0.42221%0.213SC..  trans-57.6103.2165.6-20.733.9000110.2K216 Y219 F220P83-K216 HydrophobicContact CB-CG 4.23Å; P83-Y219 VanDerWaalsContact CA-CE1 3.44Å; P83-Y219 HydrophobicContact CB-CD1 3.72Å; P83-Y219 HydrophobicContact CB-CE1 3.93Å; P83-Y219 HydrophobicContact CB-CG 4.26Å; P83-Y219 HydrophobicContact CG-CD1 4.2Å; P83-Y219 HydrophobicContact CG-CE1 4.08Å; P83-F220 HydrophobicContact CB-CE2 4.22Å; P83-F220 HydrophobicContact CB-CZ 4.16Å; P83-F220 HydrophobicContact CG-CE1 4.02Å; P83-F220 HydrophobicContact CG-CE2 3.82Å; P83-F220 HydrophobicContact CG-CZ 3.31Å
84T92.9Very high91.4Very high23 Ų2343.1 Ų43.114%0.14122%0.224CC..  trans-117.3131.9-172.5-54.40000108.4L78 F82 L117 P118L78-T84 VanDerWaalsContact C-OG1 3.22Å; L78-T84 HydrophobicContact CB-CG2 4.08Å; L78-T84 PolarHBondContact O-OG1 3.16Å; L78-T84 VanDerWaalsContact O-OG1 3.12Å; F82-T84 PolarHBondContact O-N 2.81Å; F82-T84 PolarHBondContact O-OG1 3.42Å; T84-L117 HydrophobicContact CG2-CD1 3.72Å; T84-P118 WeakPolarHBondContact O-CD 3.34Å
85L93.9Very high91.4Very high42 Ų4243 Ų4322%0.2222%0.223CC..  trans-128.715717561.182.1000109.4I87 P118 I120 I212 A215L85-I87 HydrophobicContact CD1-CD1 3.8Å; L85-I87 HydrophobicContact CD1-CG1 3.53Å; L85-P118 CarbonylContact C-O 3.55Å; L85-P118 WeakPolarHBondContact CA-O 3.46Å; L85-P118 HydrophobicContact CB-CB 4.14Å; L85-I120 HydrophobicContact CD1-CD1 4.42Å; L85-I120 HydrophobicContact CD2-CD1 4.43Å; L85-I212 HydrophobicContact CD2-CB 4.39Å; L85-I212 HydrophobicContact CD2-CG1 4.29Å; L85-I212 HydrophobicContact CD2-CG2 3.98Å; L85-A215 HydrophobicContact CD2-CB 4.17Å
86I93.6Very high91.4Very high31 Ų3146.7 Ų46.716%0.15924%0.239CC..EExtended strand (participates in β ladder)trans-106.8125.4178.2-59.3-61.6000108.7V111 M115 L117 P118 F119 I120I86-V111 HydrophobicContact CG2-CG1 4.3Å; I86-M115 HydrophobicContact CG1-CB 4.19Å; I86-M115 HydrophobicContact CG1-CG 4.41Å; I86-L117 HydrophobicContact CD1-CD1 4.12Å; I86-L117 HydrophobicContact CG1-CB 3.98Å; I86-L117 HydrophobicContact CG1-CD1 4.17Å; I86-P118 PolarHBondContact N-O 2.93Å; I86-F119 HydrophobicContact CB-CD2 3.98Å; I86-F119 HydrophobicContact CG2-CD2 3.78Å; I86-F119 HydrophobicContact CG2-CE2 3.92Å; I86-F119 WeakPolarHBondContact O-CA 3.2Å; I86-I120 PolarHBondContact O-N 3.43Å
87I94.4Very high91.4Very high72 Ų7244.8 Ų44.837%0.36923%0.232SC..EExtended strand (participates in β ladder)trans-102.9113.6172.6-64.4154.1000107.5L85 V89 I120 V122 F208L85-I87 HydrophobicContact CD1-CD1 3.8Å; L85-I87 HydrophobicContact CD1-CG1 3.53Å; I87-V89 HydrophobicContact CG2-CG2 3.83Å; I87-I120 WeakPolarHBondContact CA-O 3.41Å; I87-V122 HydrophobicContact CG2-CB 4.23Å; I87-V122 HydrophobicContact CG2-CG2 3.54Å; I87-F208 HydrophobicContact CD1-CE2 4.34Å; I87-F208 HydrophobicContact CD1-CZ 3.71Å; I87-F208 HydrophobicContact CG1-CE2 4.24Å; I87-F208 HydrophobicContact CG1-CZ 4.1Å; I87-F208 HydrophobicContact CG2-CE2 4.39Å; I87-F208 HydrophobicContact CG2-CZ 4.36Å
88Y94.7Very high91.4Very high23 Ų2342.6 Ų42.69%0.0922%0.221CC..EExtended strand (participates in β ladder)trans-96.1108.8173.7-171.6-86000109.8I62 M90 Y107 A108 V111 F119 I120 L121 V122I62-Y88 HydrophobicContact CD1-CD2 4.13Å; I62-Y88 HydrophobicContact CD1-CE2 3.75Å; Y88-M90 HydrophobicContact CE1-CE 4.05Å; Y88-Y107 AromaticContact CE2-CD1 3.72Å; Y88-Y107 HydrophobicContact CE2-CD1 3.72Å; Y88-Y107 HydrophobicContact CE2-CE1 4.13Å; Y88-Y107 AromaticContact CZ-CD1 3.95Å; Y88-Y107 WeakPolarHBondContact OH-CD1 3.48Å; Y88-A108 HydrophobicContact CD1-CB 3.96Å; Y88-A108 HydrophobicContact CD2-CB 4.36Å; Y88-A108 HydrophobicContact CE1-CB 3.89Å; Y88-A108 HydrophobicContact CE2-CB 4.33Å; Y88-A108 HydrophobicContact CG-CB 4.18Å; Y88-V111 HydrophobicContact CE2-CG2 4.44Å; Y88-F119 HydrophobicContact CD2-CE2 4.36Å; Y88-F119 HydrophobicContact CD2-CZ 4.01Å; Y88-F119 HydrophobicContact CG-CE2 4.35Å; Y88-F119 AromaticContact CG-CZ 3.7Å; Y88-F119 HydrophobicContact CG-CZ 3.7Å; Y88-I120 PolarHBondContact N-O 3.45Å; Y88-L121 HydrophobicContact CD1-CD1 3.51Å; Y88-L121 HydrophobicContact CE1-CD1 4.26Å; Y88-L121 HydrophobicContact CG-CD1 4.36Å; Y88-V122 PolarHBondContact O-N 2.73Å
89V93.7Very high91.3Very high86 Ų8643.4 Ų43.452%0.52123%0.225SC..EExtended strand (participates in β ladder)trans-91.9121.3-177.1-172.80000110.1I87 N124I87-V89 HydrophobicContact CG2-CG2 3.83Å; V89-N124 HydrophobicContact CG1-CB 3.72Å
90M93Very high91.3Very high5 Ų545.7 Ų45.73%0.02524%0.238CC..EExtended strand (participates in β ladder)trans-109.7142.4176.5176.4168.2-60.600111Y88 T92 S95 F101 N104 M105 L121 V122 L123 N124Y88-M90 HydrophobicContact CE1-CE 4.05Å; M90-T92 PolarHBondContact O-N 3.15Å; M90-S95 WeakPolarHBondContact CG-OG 3.25Å; M90-S95 PolarHBondContact SD-OG 2.93Å; M90-F101 HydrophobicContact SD-CD2 4.02Å; M90-F101 HydrophobicContact SD-CE2 4.18Å; M90-N104 HydrophobicContact CE-CB 3.23Å; M90-N104 HydrophobicContact SD-CB 4.35Å; M90-M105 HydrophobicContact CE-CE 2.98Å; M90-M105 HydrophobicContact SD-CE 3.84Å; M90-L121 HydrophobicContact CB-CD1 4.4Å; M90-L121 HydrophobicContact CE-CD1 4.28Å; M90-V122 PolarHBondContact N-O 3.35Å; M90-L123 HydrophobicContact CB-CD2 4.09Å; M90-L123 HydrophobicContact CG-CD2 3.97Å; M90-L123 HydrophobicContact SD-CD2 3.63Å; M90-N124 WeakPolarHBondContact O-CB 3.49Å; M90-N124 PolarHBondContact O-N 3.15Å
91D92.9Very high91.5Very high32 Ų3243.1 Ų43.117%0.17123%0.225CC..EExtended strand (participates in β ladder)trans-87.6103176-165.32.8000110.4P93 R94 S95 K125D91-P93 WeakPolarHBondContact OD1-CD 3.26Å; D91-R94 HydrophobicContact CB-CB 4.32Å; D91-R94 HydrophobicContact CB-CG 4.23Å; D91-R94 PolarHBondContact O-N 3.44Å; D91-R94 VanDerWaalsContact O-N 3.12Å; D91-R94 WeakPolarHBondContact OD2-CD 3.37Å; D91-R94 IonicContact OD2-CZ 2.64Å; D91-R94 IonicContact OD2-NE 2.75Å; D91-R94 PolarHBondContact OD2-NE 3.28Å; D91-R94 IonicContact OD2-NH2 3.98Å; D91-S95 PolarHBondContact O-N 3.46Å; D91-S95 PolarHBondContact O-OG 3.31Å; D91-K125 WeakPolarHBondContact OD1-CD 3.47Å; D91-K125 WeakPolarHBondContact OD1-CE 3.48Å; D91-K125 IonicContact OD1-NZ 3.13Å; D91-K125 PolarHBondContact OD1-NZ 2.8Å; D91-K125 IonicContact OD2-NZ 2.81Å; D91-K125 PolarHBondContact OD2-NZ 3.39Å
92T93.7Very high91.6Very high0 Ų040.7 Ų40.70%021%0.208CC..Hα-helixtrans-55.4-46.8-175.6-56.70000113M90 R94 S95 H96 L123 N124 I129 C131 F133M90-T92 PolarHBondContact O-N 3.15Å; T92-R94 VanDerWaalsContact C-N 3.29Å; T92-R94 PolarHBondContact O-N 2.97Å; T92-S95 CarbonylContact O-C 3.44Å; T92-S95 PolarHBondContact O-N 3.46Å; T92-S95 VanDerWaalsContact O-N 3.11Å; T92-H96 PolarHBondContact O-N 2.95Å; T92-H96 VanDerWaalsContact O-N 3.16Å; T92-L123 WeakPolarHBondContact OG1-CB 3.38Å; T92-N124 VanDerWaalsContact CB-O 3.27Å; T92-N124 WeakPolarHBondContact CB-O 3.46Å; T92-N124 PolarHBondContact N-O 3.22Å; T92-N124 PolarHBondContact OG1-O 2.72Å; T92-I129 HydrophobicContact CG2-CB 4.38Å; T92-I129 WeakPolarHBondContact CG2-O 3.44Å; T92-C131 HydrophobicContact CG2-CB 4.49Å; T92-F133 HydrophobicContact CG2-CE1 3.57Å; T92-F133 HydrophobicContact CG2-CZ 3.75Å
93P92.6Very high91.6Very high37 Ų3741.7 Ų41.724%0.2422%0.219CC..Hα-helixtrans-55.2-35.6175.3-29.834.1000116D91 K125 I128 I129D91-P93 WeakPolarHBondContact OD1-CD 3.26Å; P93-K125 HydrophobicContact CG-CB 4.22Å; P93-I128 HydrophobicContact CG-CB 3.89Å; P93-I128 HydrophobicContact CG-CD1 4.2Å; P93-I128 HydrophobicContact CG-CG2 3.95Å; P93-I129 HydrophobicContact CB-CD1 4.26Å; P93-I129 HydrophobicContact CB-CG1 4.43Å; P93-I129 HydrophobicContact CG-CG1 4.32Å
94R89.3Confident91.6Very high177 Ų17740.9 Ų40.967%0.66821%0.211SC*.Hα-helixtrans-80-33.1178.2-62-173.2-154.3-153-0.3111.6D91 T92 H96 T100D91-R94 HydrophobicContact CB-CB 4.32Å; D91-R94 HydrophobicContact CB-CG 4.23Å; D91-R94 PolarHBondContact O-N 3.44Å; D91-R94 VanDerWaalsContact O-N 3.12Å; D91-R94 WeakPolarHBondContact OD2-CD 3.37Å; D91-R94 IonicContact OD2-CZ 2.64Å; D91-R94 IonicContact OD2-NE 2.75Å; D91-R94 PolarHBondContact OD2-NE 3.28Å; D91-R94 IonicContact OD2-NH2 3.98Å; T92-R94 VanDerWaalsContact C-N 3.29Å; T92-R94 PolarHBondContact O-N 2.97Å; R94-H96 PolarHBondContact O-N 3Å; R94-T100 WeakPolarHBondContact O-CG2 3.46Å
95S91.1Very high91.6Very high0 Ų039.8 Ų39.80%020%0.204CC..Hα-helixtrans-782.1178-680000113.9M90 D91 T92 N97 F101 N104 F133M90-S95 WeakPolarHBondContact CG-OG 3.25Å; M90-S95 PolarHBondContact SD-OG 2.93Å; D91-S95 PolarHBondContact O-N 3.46Å; D91-S95 PolarHBondContact O-OG 3.31Å; T92-S95 CarbonylContact O-C 3.44Å; T92-S95 PolarHBondContact O-N 3.46Å; T92-S95 VanDerWaalsContact O-N 3.11Å; S95-N97 PolarHBondContact O-N 3.06Å; S95-F101 WeakPolarHBondContact O-CB 3.19Å; S95-N104 PolarHBondContact OG-ND2 3.2Å; S95-F133 WeakPolarHBondContact O-CE2 3.47Å
96H88.5Confident91.5Very high87 Ų8741.5 Ų41.540%0.40321%0.214SC..THydrogen-bonded Turntrans-65.3-18.4171.3-171.1-79.6000112.9T92 R94 P98 I129 F133 W137T92-H96 PolarHBondContact O-N 2.95Å; T92-H96 VanDerWaalsContact O-N 3.16Å; R94-H96 PolarHBondContact O-N 3Å; H96-P98 WeakPolarHBondContact O-CD 3.44Å; H96-I129 HydrophobicContact CB-CD1 4.36Å; H96-F133 HydrophobicContact CB-CZ 4.19Å; H96-W137 WeakPolarHBondContact O-CH2 3.49Å
97N88.3Confident91.4Very high60 Ų6042.5 Ų42.532%0.32122%0.216SC..SBendtrans-81.9121.7168.3-179.4-30.2000109.5S95 I99 T100 F101S95-N97 PolarHBondContact O-N 3.06Å; N97-I99 PolarHBondContact O-N 3.38Å; N97-I99 VanDerWaalsContact O-N 3.16Å; N97-I99 WeakPolarHBondContact OD1-CB 3.4Å; N97-I99 PolarHBondContact OD1-N 3.01Å; N97-T100 WeakPolarHBondContact O-CB 3.35Å; N97-T100 PolarHBondContact O-N 2.92Å; N97-F101 PolarHBondContact O-N 3.4Å
98P88.1Confident91.4Very high0 Ų039.1 Ų39.10%020%0.198CC..Hα-helixtrans-52.1-37.6179.4-26.832.5000114.3H96 F101 M102 W137 F144 A147 L148 H151H96-P98 WeakPolarHBondContact O-CD 3.44Å; P98-F101 PolarHBondContact O-N 2.99Å; P98-M102 WeakPolarHBondContact O-CB 3.29Å; P98-M102 PolarHBondContact O-N 3.46Å; P98-W137 HydrophobicContact CB-CH2 4.25Å; P98-W137 HydrophobicContact CB-CZ3 4.34Å; P98-W137 HydrophobicContact CG-CH2 3.64Å; P98-W137 HydrophobicContact CG-CZ2 3.97Å; P98-W137 HydrophobicContact CG-CZ3 4.22Å; P98-F144 HydrophobicContact CB-CD2 4.44Å; P98-F144 HydrophobicContact CB-CE2 3.69Å; P98-F144 HydrophobicContact CB-CZ 4.16Å; P98-A147 HydrophobicContact CG-CB 4.07Å; P98-L148 HydrophobicContact CB-CD1 4.3Å; P98-H151 WeakPolarHBondContact CD-CE1 3.1Å; P98-H151 WeakPolarHBondContact CD-ND1 3.47Å
99I88Confident91.3Very high27 Ų2738.8 Ų38.814%0.13820%0.199CC..Hα-helixtrans-69-40.4179.6-58.5171.6000110.5N97 S103 L148 T170 M174 V178N97-I99 PolarHBondContact O-N 3.38Å; N97-I99 VanDerWaalsContact O-N 3.16Å; N97-I99 WeakPolarHBondContact OD1-CB 3.4Å; N97-I99 PolarHBondContact OD1-N 3.01Å; I99-S103 WeakPolarHBondContact O-CB 3.36Å; I99-S103 PolarHBondContact O-N 2.57Å; I99-S103 PolarHBondContact O-OG 3.4Å; I99-L148 HydrophobicContact CG1-CD1 3.94Å; I99-T170 HydrophobicContact CD1-CG2 3.59Å; I99-M174 HydrophobicContact CG2-CE 4.09Å; I99-V178 HydrophobicContact CG2-CG2 4.45Å
100T90.2Very high91.2Very high50 Ų5036.4 Ų36.431%0.30719%0.187SC..Hα-helixtrans-70.2-41.7177.7-58.70000110.6R94 N97 S103 N104R94-T100 WeakPolarHBondContact O-CG2 3.46Å; N97-T100 WeakPolarHBondContact O-CB 3.35Å; N97-T100 PolarHBondContact O-N 2.92Å; T100-S103 PolarHBondContact O-N 3.35Å; T100-N104 WeakPolarHBondContact O-CB 3.37Å; T100-N104 VanDerWaalsContact O-CG 3.22Å; T100-N104 PolarHBondContact O-N 3.36Å; T100-N104 PolarHBondContact O-ND2 3.3Å
101F92Very high91.1Very high0 Ų036.4 Ų36.40%019%0.186CC..Hα-helixtrans-56.1-51.9172.8178.8-106000111.4M90 S95 N97 P98 S103 N104 M105 A134 W137 M138 F144M90-F101 HydrophobicContact SD-CD2 4.02Å; M90-F101 HydrophobicContact SD-CE2 4.18Å; S95-F101 WeakPolarHBondContact O-CB 3.19Å; N97-F101 PolarHBondContact O-N 3.4Å; P98-F101 PolarHBondContact O-N 2.99Å; F101-S103 PolarHBondContact O-N 3.26Å; F101-N104 PolarHBondContact O-N 3.27Å; F101-N104 VanDerWaalsContact O-N 3.16Å; F101-M105 HydrophobicContact CD1-CG 4.15Å; F101-M105 HydrophobicContact CD2-CG 4.35Å; F101-M105 HydrophobicContact CE1-CG 3.7Å; F101-M105 HydrophobicContact CE2-CE 4.11Å; F101-M105 HydrophobicContact CE2-CG 3.92Å; F101-M105 HydrophobicContact CE2-SD 4.14Å; F101-M105 HydrophobicContact CG-CG 4.45Å; F101-M105 HydrophobicContact CZ-CE 4.45Å; F101-M105 HydrophobicContact CZ-CG 3.57Å; F101-M105 HydrophobicContact CZ-SD 3.89Å; F101-M105 WeakPolarHBondContact O-CG 3.17Å; F101-M105 PolarHBondContact O-N 2.93Å; F101-A134 HydrophobicContact CD2-CB 4.33Å; F101-A134 HydrophobicContact CE2-CB 3.78Å; F101-A134 HydrophobicContact CZ-CB 4.32Å; F101-W137 HydrophobicContact CB-CE3 4.15Å; F101-W137 HydrophobicContact CB-CZ3 3.91Å; F101-W137 AromaticContact CD1-CE3 3.69Å; F101-W137 HydrophobicContact CD1-CE3 3.69Å; F101-W137 HydrophobicContact CD1-CZ3 4.33Å; F101-W137 HydrophobicContact CD2-CE3 4.48Å; F101-W137 HydrophobicContact CE1-CB 4.18Å; F101-W137 HydrophobicContact CE1-CE3 4.23Å; F101-W137 AromaticContact CG-CE3 3.84Å; F101-W137 HydrophobicContact CG-CE3 3.84Å; F101-W137 HydrophobicContact CG-CZ3 4.08Å; F101-M138 HydrophobicContact CE1-CG 4.23Å; F101-M138 HydrophobicContact CZ-CG 3.67Å; F101-M138 HydrophobicContact CZ-SD 4.15Å; F101-F144 HydrophobicContact CD1-CE2 4.24Å
102M90.5Very high91Very high2 Ų236.6 Ų36.61%0.0119%0.187CC..Hα-helixtrans-60.4-44.3-179.3-1725961.600112.2P98 N104 M105 L106 F144 V178 M181 L185P98-M102 WeakPolarHBondContact O-CB 3.29Å; P98-M102 PolarHBondContact O-N 3.46Å; M102-N104 VanDerWaalsContact C-N 3.3Å; M102-N104 PolarHBondContact O-N 2.97Å; M102-M105 PolarHBondContact O-N 3.16Å; M102-L106 PolarHBondContact O-N 3.48Å; M102-F144 HydrophobicContact CB-CZ 4.21Å; M102-F144 HydrophobicContact CE-CD1 4.04Å; M102-F144 HydrophobicContact CE-CD2 4.49Å; M102-F144 HydrophobicContact CE-CE1 3.3Å; M102-F144 HydrophobicContact CE-CE2 3.81Å; M102-F144 HydrophobicContact CE-CZ 3.16Å; M102-V178 HydrophobicContact CB-CG1 4.29Å; M102-V178 HydrophobicContact CG-CG1 4.09Å; M102-V178 HydrophobicContact CG-CG2 4.49Å; M102-M181 HydrophobicContact CG-CB 4.17Å; M102-M181 HydrophobicContact CG-CE 3.8Å; M102-M181 HydrophobicContact SD-CB 4.17Å; M102-L185 HydrophobicContact SD-CD1 3.32Å; M102-L185 WeakPolarHBondContact SD-CD1 3.38Å
103S90.4Very high90.8Very high57 Ų5743.6 Ų43.640%0.39922%0.215SC..Hα-helixtrans-60.4-42.2177.2-58.70000111.5I99 T100 F101 Y107I99-S103 WeakPolarHBondContact O-CB 3.36Å; I99-S103 PolarHBondContact O-N 2.57Å; I99-S103 PolarHBondContact O-OG 3.4Å; T100-S103 PolarHBondContact O-N 3.35Å; F101-S103 PolarHBondContact O-N 3.26Å; S103-Y107 PolarHBondContact O-N 2.91Å; S103-Y107 VanDerWaalsContact O-N 3.11Å
104N92.3Very high90.7Very high47 Ų4746.2 Ų46.225%0.25122%0.223SC..Hα-helixtrans-70.3-32.9177.4-67.7-28.3000112.7M90 S95 T100 F101 M102 Y107 A108M90-N104 HydrophobicContact CE-CB 3.23Å; M90-N104 HydrophobicContact SD-CB 4.35Å; S95-N104 PolarHBondContact OG-ND2 3.2Å; T100-N104 WeakPolarHBondContact O-CB 3.37Å; T100-N104 VanDerWaalsContact O-CG 3.22Å; T100-N104 PolarHBondContact O-N 3.36Å; T100-N104 PolarHBondContact O-ND2 3.3Å; F101-N104 PolarHBondContact O-N 3.27Å; F101-N104 VanDerWaalsContact O-N 3.16Å; M102-N104 VanDerWaalsContact C-N 3.3Å; M102-N104 PolarHBondContact O-N 2.97Å; N104-Y107 PolarHBondContact O-N 3.46Å; N104-A108 WeakPolarHBondContact O-CB 3.46Å; N104-A108 PolarHBondContact O-N 3.01Å
105M92.6Very high90.6Very high0 Ų038.7 Ų38.70%020%0.195CC..Hα-helixtrans-68.2-43.1175-74-62.899.600112.2M90 F101 M102 Y107 A108 C109 L121 M138 L185 F188 Y189 L192M90-M105 HydrophobicContact CE-CE 2.98Å; M90-M105 HydrophobicContact SD-CE 3.84Å; F101-M105 HydrophobicContact CD1-CG 4.15Å; F101-M105 HydrophobicContact CD2-CG 4.35Å; F101-M105 HydrophobicContact CE1-CG 3.7Å; F101-M105 HydrophobicContact CE2-CE 4.11Å; F101-M105 HydrophobicContact CE2-CG 3.92Å; F101-M105 HydrophobicContact CE2-SD 4.14Å; F101-M105 HydrophobicContact CG-CG 4.45Å; F101-M105 HydrophobicContact CZ-CE 4.45Å; F101-M105 HydrophobicContact CZ-CG 3.57Å; F101-M105 HydrophobicContact CZ-SD 3.89Å; F101-M105 WeakPolarHBondContact O-CG 3.17Å; F101-M105 PolarHBondContact O-N 2.93Å; M102-M105 PolarHBondContact O-N 3.16Å; M105-Y107 VanDerWaalsContact C-N 3.28Å; M105-Y107 PolarHBondContact O-N 3.46Å; M105-A108 HydrophobicContact CE-CB 4.49Å; M105-A108 WeakPolarHBondContact O-CB 3.43Å; M105-A108 PolarHBondContact O-N 2.83Å; M105-C109 WeakPolarHBondContact O-CB 3.45Å; M105-C109 PolarHBondContact O-N 3.03Å; M105-L121 HydrophobicContact CE-CD1 3.74Å; M105-L121 HydrophobicContact CE-CD2 3.43Å; M105-L121 VanDerWaalsContact CE-CD2 3.43Å; M105-L121 HydrophobicContact CE-CG 4.25Å; M105-L121 HydrophobicContact SD-CD2 3.88Å; M105-M138 HydrophobicContact SD-SD 4.18Å; M105-L185 HydrophobicContact CB-CD1 4.13Å; M105-F188 HydrophobicContact SD-CE1 4.32Å; M105-Y189 HydrophobicContact CB-CE1 4.11Å; M105-Y189 WeakPolarHBondContact CB-OH 3.22Å; M105-Y189 HydrophobicContact CG-CE1 3.82Å; M105-Y189 WeakPolarHBondContact CG-OH 3.42Å; M105-Y189 HydrophobicContact SD-CE1 3.62Å; M105-L192 HydrophobicContact SD-CD2 4.42Å
106L91.6Very high90.4Very high79 Ų7944.8 Ų44.841%0.41422%0.224SC..Hα-helixtrans-59.8-42.8173.3-175.469.1000111.1M102 C109 S110 M181 L185M102-L106 PolarHBondContact O-N 3.48Å; L106-C109 WeakPolarHBondContact O-CB 3.38Å; L106-C109 PolarHBondContact O-N 3.22Å; L106-S110 PolarHBondContact O-N 2.53Å; L106-M181 HydrophobicContact CD2-SD 3.74Å; L106-L185 HydrophobicContact CB-CD1 4.49Å
107Y92.4Very high90.5Very high52 Ų5241.1 Ų41.120%0.20421%0.207CC..Hα-helixtrans-64.5-44176.2-167.1-86.5000111.8I62 Y88 S103 N104 M105 C109 S110 V111I62-Y107 HydrophobicContact CD1-CE1 3.66Å; I62-Y107 HydrophobicContact CG1-CE1 3.91Å; I62-Y107 HydrophobicContact CG2-CE1 4.22Å; I62-Y107 WeakPolarHBondContact CG2-OH 3.11Å; Y88-Y107 AromaticContact CE2-CD1 3.72Å; Y88-Y107 HydrophobicContact CE2-CD1 3.72Å; Y88-Y107 HydrophobicContact CE2-CE1 4.13Å; Y88-Y107 AromaticContact CZ-CD1 3.95Å; Y88-Y107 WeakPolarHBondContact OH-CD1 3.48Å; S103-Y107 PolarHBondContact O-N 2.91Å; S103-Y107 VanDerWaalsContact O-N 3.11Å; N104-Y107 PolarHBondContact O-N 3.46Å; M105-Y107 VanDerWaalsContact C-N 3.28Å; M105-Y107 PolarHBondContact O-N 3.46Å; Y107-C109 VanDerWaalsContact C-N 3.31Å; Y107-C109 PolarHBondContact O-N 2.91Å; Y107-S110 WeakPolarHBondContact O-CB 3.33Å; Y107-S110 PolarHBondContact O-N 3.21Å; Y107-S110 VanDerWaalsContact O-N 3.11Å; Y107-S110 PolarHBondContact O-OG 3.4Å; Y107-V111 HydrophobicContact CD1-CG2 4Å; Y107-V111 HydrophobicContact CE1-CG2 3.71Å; Y107-V111 WeakPolarHBondContact O-CG2 3.39Å; Y107-V111 PolarHBondContact O-N 2.8Å; Y107-V111 VanDerWaalsContact O-N 3.07Å
108A93.3Very high90.8Very high0 Ų038.3 Ų38.30%019%0.192CC..Hα-helixtrans-57.4-44.2174.800000112Y88 N104 M105 S110 V111 L112 F119 F188Y88-A108 HydrophobicContact CD1-CB 3.96Å; Y88-A108 HydrophobicContact CD2-CB 4.36Å; Y88-A108 HydrophobicContact CE1-CB 3.89Å; Y88-A108 HydrophobicContact CE2-CB 4.33Å; Y88-A108 HydrophobicContact CG-CB 4.18Å; N104-A108 WeakPolarHBondContact O-CB 3.46Å; N104-A108 PolarHBondContact O-N 3.01Å; M105-A108 HydrophobicContact CE-CB 4.49Å; M105-A108 WeakPolarHBondContact O-CB 3.43Å; M105-A108 PolarHBondContact O-N 2.83Å; A108-S110 VanDerWaalsContact C-N 3.33Å; A108-S110 PolarHBondContact O-N 3.12Å; A108-V111 PolarHBondContact O-N 3.48Å; A108-L112 PolarHBondContact O-N 3.17Å; A108-F119 HydrophobicContact CB-CE1 4.19Å; A108-F119 HydrophobicContact CB-CZ 3.86Å; A108-F119 WeakPolarHBondContact O-CZ 3.38Å; A108-F188 HydrophobicContact CB-CZ 4.11Å
109C92.1Very high91Very high17 Ų1738.8 Ų38.812%0.11519%0.194CC..Hα-helixtrans-58.3-43.9174-179.50000111.7M105 L106 Y107 V111 L112 Y113 L185 F188M105-C109 WeakPolarHBondContact O-CB 3.45Å; M105-C109 PolarHBondContact O-N 3.03Å; L106-C109 WeakPolarHBondContact O-CB 3.38Å; L106-C109 PolarHBondContact O-N 3.22Å; Y107-C109 VanDerWaalsContact C-N 3.31Å; Y107-C109 PolarHBondContact O-N 2.91Å; C109-V111 VanDerWaalsContact C-N 3.32Å; C109-V111 PolarHBondContact O-N 3.46Å; C109-L112 PolarHBondContact O-N 2.89Å; C109-Y113 WeakPolarHBondContact O-CD2 3.39Å; C109-Y113 PolarHBondContact O-N 3.13Å; C109-Y113 VanDerWaalsContact O-N 3.14Å; C109-Y113 VanDerWaalsContact SG-CE2 3.52Å; C109-L185 HydrophobicContact CB-CD2 3.75Å; C109-F188 HydrophobicContact CB-CD1 4.1Å; C109-F188 HydrophobicContact CB-CD2 3.88Å; C109-F188 HydrophobicContact CB-CE1 4.07Å; C109-F188 HydrophobicContact CB-CE2 3.85Å; C109-F188 HydrophobicContact CB-CG 4Å; C109-F188 HydrophobicContact CB-CZ 3.94Å
110S91.4Very high91.4Very high36 Ų3637.5 Ų37.525%0.25219%0.188SC..Hα-helixtrans-60.1-40.2176.280.80000112.8L106 Y107 A108 K114L106-S110 PolarHBondContact O-N 2.53Å; Y107-S110 WeakPolarHBondContact O-CB 3.33Å; Y107-S110 PolarHBondContact O-N 3.21Å; Y107-S110 VanDerWaalsContact O-N 3.11Å; Y107-S110 PolarHBondContact O-OG 3.4Å; A108-S110 VanDerWaalsContact C-N 3.33Å; A108-S110 PolarHBondContact O-N 3.12Å; S110-K114 WeakPolarHBondContact O-CB 3.32Å; S110-K114 PolarHBondContact O-N 3.36Å
111V91.6Very high91.6Very high4 Ų435.1 Ų35.12%0.02417%0.173CC..Hα-helixtrans-68.7-42.6178.6177.70000110.9I62 T66 I86 Y88 Y107 A108 C109 Y113 K114 M115 F119I62-V111 HydrophobicContact CD1-CG2 4.41Å; T66-V111 HydrophobicContact CG2-CG2 4.11Å; I86-V111 HydrophobicContact CG2-CG1 4.3Å; Y88-V111 HydrophobicContact CE2-CG2 4.44Å; Y107-V111 HydrophobicContact CD1-CG2 4Å; Y107-V111 HydrophobicContact CE1-CG2 3.71Å; Y107-V111 WeakPolarHBondContact O-CG2 3.39Å; Y107-V111 PolarHBondContact O-N 2.8Å; Y107-V111 VanDerWaalsContact O-N 3.07Å; A108-V111 PolarHBondContact O-N 3.48Å; C109-V111 VanDerWaalsContact C-N 3.32Å; C109-V111 PolarHBondContact O-N 3.46Å; V111-Y113 PolarHBondContact O-N 3Å; V111-K114 PolarHBondContact O-N 3.07Å; V111-M115 HydrophobicContact CG1-CG 3.98Å; V111-M115 WeakPolarHBondContact O-CB 3.2Å; V111-M115 WeakPolarHBondContact O-CG 3.34Å; V111-M115 PolarHBondContact O-N 3.04Å; V111-F119 HydrophobicContact CB-CE2 4.13Å; V111-F119 HydrophobicContact CG1-CE2 3.96Å
112L91.7Very high91.8Very high36 Ų3635.5 Ų35.519%0.18818%0.175CC..Hα-helixtrans-54.6-55.1176.416763.9000110.9A108 C109 K114 M115 Q116 F119 F188A108-L112 PolarHBondContact O-N 3.17Å; C109-L112 PolarHBondContact O-N 2.89Å; L112-K114 VanDerWaalsContact C-N 3.31Å; L112-K114 PolarHBondContact O-N 2.97Å; L112-M115 PolarHBondContact O-N 3.24Å; L112-Q116 PolarHBondContact O-N 3.48Å; L112-F119 HydrophobicContact CB-CB 4.45Å; L112-F119 HydrophobicContact CB-CD2 4.09Å; L112-F119 HydrophobicContact CB-CE2 4.43Å; L112-F119 HydrophobicContact CB-CG 4.13Å; L112-F119 HydrophobicContact CD1-CB 3.52Å; L112-F119 HydrophobicContact CD1-CG 4.13Å; L112-F119 HydrophobicContact CG-CB 4.47Å; L112-F188 HydrophobicContact CB-CE2 4.25Å; L112-F188 HydrophobicContact CD2-CD2 3.73Å; L112-F188 HydrophobicContact CD2-CE2 3.53Å
113Y89.6Confident92.1Very high147 Ų14735.4 Ų35.458%0.57617%0.174SC*.Hα-helixtrans-66.9-33.2-177.7-78.4-65.8000112.9C109 V111 Q116C109-Y113 WeakPolarHBondContact O-CD2 3.39Å; C109-Y113 PolarHBondContact O-N 3.13Å; C109-Y113 VanDerWaalsContact O-N 3.14Å; C109-Y113 VanDerWaalsContact SG-CE2 3.52Å; V111-Y113 PolarHBondContact O-N 3Å; Y113-Q116 WeakPolarHBondContact O-CG 3.37Å
114K88.8Confident92.2Very high93 Ų9334 Ų3440%0.40416%0.162SC..Hα-helixtrans-69.2-43.7177.4-178.862.3175.8-179.40112.5T66 S110 V111 L112T66-K114 HydrophobicContact CG2-CB 4.33Å; T66-K114 HydrophobicContact CG2-CG 3.96Å; T66-K114 VanDerWaalsContact O-CE 3.29Å; T66-K114 WeakPolarHBondContact O-CE 3.48Å; S110-K114 WeakPolarHBondContact O-CB 3.32Å; S110-K114 PolarHBondContact O-N 3.36Å; V111-K114 PolarHBondContact O-N 3.07Å; L112-K114 VanDerWaalsContact C-N 3.31Å; L112-K114 PolarHBondContact O-N 2.97Å
115M87.4Confident92.4Very high19 Ų1935 Ų359%0.09417%0.165CC..Hα-helixtrans-85.6-27.6-173-64.2-61.3-175.500113.2F65 T66 T75 I86 V111 L112 L117F65-M115 HydrophobicContact CD1-CE 3.68Å; F65-M115 HydrophobicContact CE1-CE 3.8Å; T66-M115 HydrophobicContact CG2-CE 4.27Å; T75-M115 HydrophobicContact CG2-CB 4.48Å; T75-M115 HydrophobicContact CG2-SD 3.78Å; I86-M115 HydrophobicContact CG1-CB 4.19Å; I86-M115 HydrophobicContact CG1-CG 4.41Å; V111-M115 HydrophobicContact CG1-CG 3.98Å; V111-M115 WeakPolarHBondContact O-CB 3.2Å; V111-M115 WeakPolarHBondContact O-CG 3.34Å; V111-M115 PolarHBondContact O-N 3.04Å; L112-M115 PolarHBondContact O-N 3.24Å; M115-L117 PolarHBondContact O-N 3.38Å
116Q87Confident92.4Very high128 Ų12835.8 Ų35.860%0.59817%0.169SC*.  trans53.634.4180-56-172.8-32.100113.4L112 Y113 N223L112-Q116 PolarHBondContact O-N 3.48Å; Y113-Q116 WeakPolarHBondContact O-CG 3.37Å; Q116-N223 PolarHBondContact O-ND2 3.03Å
117L91.6Very high92.4Very high10 Ų1035.4 Ų35.45%0.05217%0.168CC..SBendtrans-117.8157.4176.7-72.5-179.3000109.4T75 T84 I86 M115 F119 Y219 N223T75-L117 HydrophobicContact CG2-CD1 3.34Å; T75-L117 HydrophobicContact CG2-CG 4.26Å; T84-L117 HydrophobicContact CG2-CD1 3.72Å; I86-L117 HydrophobicContact CD1-CD1 4.12Å; I86-L117 HydrophobicContact CG1-CB 3.98Å; I86-L117 HydrophobicContact CG1-CD1 4.17Å; M115-L117 PolarHBondContact O-N 3.38Å; L117-F119 PolarHBondContact O-N 2.93Å; L117-Y219 HydrophobicContact CD2-CE2 4.47Å; L117-N223 WeakPolarHBondContact CA-ND2 3.42Å
118P93.3Very high92.4Very high1 Ų138.1 Ų38.11%0.00619%0.185CC..  trans-52.4133.7172.3-17.727.1000109.8T84 L85 I86 A215 Y219T84-P118 WeakPolarHBondContact O-CD 3.34Å; L85-P118 CarbonylContact C-O 3.55Å; L85-P118 WeakPolarHBondContact CA-O 3.46Å; L85-P118 HydrophobicContact CB-CB 4.14Å; I86-P118 PolarHBondContact N-O 2.93Å; P118-A215 HydrophobicContact CB-CB 4.03Å; P118-A215 WeakPolarHBondContact CG-O 3.31Å; P118-Y219 HydrophobicContact CG-CD2 4.45Å
119F94.2Very high92.3Very high10 Ų1040.7 Ų40.74%0.04420%0.198CC..EExtended strand (participates in β ladder)trans-125.4128.9-169.1-172.9-89.4000109.9I86 Y88 A108 V111 L112 L117 F188 L192I86-F119 HydrophobicContact CB-CD2 3.98Å; I86-F119 HydrophobicContact CG2-CD2 3.78Å; I86-F119 HydrophobicContact CG2-CE2 3.92Å; I86-F119 WeakPolarHBondContact O-CA 3.2Å; Y88-F119 HydrophobicContact CD2-CE2 4.36Å; Y88-F119 HydrophobicContact CD2-CZ 4.01Å; Y88-F119 HydrophobicContact CG-CE2 4.35Å; Y88-F119 AromaticContact CG-CZ 3.7Å; Y88-F119 HydrophobicContact CG-CZ 3.7Å; A108-F119 HydrophobicContact CB-CE1 4.19Å; A108-F119 HydrophobicContact CB-CZ 3.86Å; A108-F119 WeakPolarHBondContact O-CZ 3.38Å; V111-F119 HydrophobicContact CB-CE2 4.13Å; V111-F119 HydrophobicContact CG1-CE2 3.96Å; L112-F119 HydrophobicContact CB-CB 4.45Å; L112-F119 HydrophobicContact CB-CD2 4.09Å; L112-F119 HydrophobicContact CB-CE2 4.43Å; L112-F119 HydrophobicContact CB-CG 4.13Å; L112-F119 HydrophobicContact CD1-CB 3.52Å; L112-F119 HydrophobicContact CD1-CG 4.13Å; L112-F119 HydrophobicContact CG-CB 4.47Å; L117-F119 PolarHBondContact O-N 2.93Å; F119-F188 HydrophobicContact CE1-CZ 4.47Å; F119-L192 HydrophobicContact CD1-CD1 3.56Å; F119-L192 HydrophobicContact CE1-CD1 3.78Å
120I95.3Very high92.3Very high0 Ų044 Ų440%022%0.215CC..EExtended strand (participates in β ladder)trans-121.2123.1177.2-57.8175.3000108L85 I86 I87 Y88 V122 R193 F208 E211 I212 A215L85-I120 HydrophobicContact CD1-CD1 4.42Å; L85-I120 HydrophobicContact CD2-CD1 4.43Å; I86-I120 PolarHBondContact O-N 3.43Å; I87-I120 WeakPolarHBondContact CA-O 3.41Å; Y88-I120 PolarHBondContact N-O 3.45Å; I120-V122 HydrophobicContact CG2-CG2 4.2Å; I120-R193 HydrophobicContact CG1-CB 4.39Å; I120-F208 HydrophobicContact CG2-CD2 4.46Å; I120-F208 HydrophobicContact CG2-CE2 4.3Å; I120-E211 HydrophobicContact CD1-CB 4.35Å; I120-I212 HydrophobicContact CD1-CG1 3.93Å; I120-A215 HydrophobicContact CD1-CB 3.83Å; I120-A215 HydrophobicContact CG1-CB 4.17Å
121L95.5Very high92.3Very high0 Ų042.9 Ų42.90%021%0.206CC..EExtended strand (participates in β ladder)trans-83.2124.7168.9-177.770.2000109.8Y88 M90 M105 M138 L192 R193 C194 C195Y88-L121 HydrophobicContact CD1-CD1 3.51Å; Y88-L121 HydrophobicContact CE1-CD1 4.26Å; Y88-L121 HydrophobicContact CG-CD1 4.36Å; M90-L121 HydrophobicContact CB-CD1 4.4Å; M90-L121 HydrophobicContact CE-CD1 4.28Å; M105-L121 HydrophobicContact CE-CD1 3.74Å; M105-L121 HydrophobicContact CE-CD2 3.43Å; M105-L121 VanDerWaalsContact CE-CD2 3.43Å; M105-L121 HydrophobicContact CE-CG 4.25Å; M105-L121 HydrophobicContact SD-CD2 3.88Å; L121-M138 HydrophobicContact CD2-SD 4.11Å; L121-L192 HydrophobicContact CB-CD1 4.11Å; L121-L192 HydrophobicContact CB-CD2 4.14Å; L121-L192 HydrophobicContact CB-CG 4.2Å; L121-L192 HydrophobicContact CD2-CD2 3.83Å; L121-R193 PolarHBondContact N-O 3.17Å; L121-C194 HydrophobicContact CB-CB 4.3Å; L121-C194 HydrophobicContact CD2-CB 4.38Å; L121-C194 WeakPolarHBondContact O-CA 3.12Å; L121-C195 PolarHBondContact O-N 2.89Å
122V95.5Very high92.3Very high7 Ų746.7 Ų46.74%0.04223%0.227CC..EExtended strand (participates in β ladder)trans-113115175.7175.10000109.5I87 Y88 M90 I120 N124 C195 I197 F208I87-V122 HydrophobicContact CG2-CB 4.23Å; I87-V122 HydrophobicContact CG2-CG2 3.54Å; Y88-V122 PolarHBondContact O-N 2.73Å; M90-V122 PolarHBondContact N-O 3.35Å; I120-V122 HydrophobicContact CG2-CG2 4.2Å; V122-N124 PolarHBondContact O-N 3.25Å; V122-C195 WeakPolarHBondContact CA-O 3.38Å; V122-I197 HydrophobicContact CG1-CB 4.17Å; V122-I197 HydrophobicContact CG1-CD1 3.56Å; V122-I197 HydrophobicContact CG1-CG1 3.96Å; V122-I197 HydrophobicContact CG2-CD1 4.17Å; V122-F208 HydrophobicContact CG2-CD2 3.94Å; V122-F208 HydrophobicContact CG2-CE2 3.52Å; V122-F208 HydrophobicContact CG2-CZ 4.27Å
123L95.6Very high92.3Very high0 Ų046.3 Ų46.30%022%0.224CC..EExtended strand (participates in β ladder)trans-85.897.8171.7-67170.3000108.6M90 T92 C131 A134 I135 C194 C195 G196 I197M90-L123 HydrophobicContact CB-CD2 4.09Å; M90-L123 HydrophobicContact CG-CD2 3.97Å; M90-L123 HydrophobicContact SD-CD2 3.63Å; T92-L123 WeakPolarHBondContact OG1-CB 3.38Å; L123-C131 HydrophobicContact CB-CB 3.94Å; L123-C131 HydrophobicContact CD1-CB 3.78Å; L123-A134 HydrophobicContact CD1-CB 3.74Å; L123-A134 HydrophobicContact CD2-CB 4.26Å; L123-I135 HydrophobicContact CD1-CG1 4.36Å; L123-C194 VanDerWaalsContact CD1-SG 3.58Å; L123-C195 PolarHBondContact N-O 3.24Å; L123-G196 WeakPolarHBondContact O-CA 3.46Å; L123-I197 PolarHBondContact O-N 3.46Å
124N94.5Very high92.4Very high27 Ų2739.3 Ų39.314%0.14420%0.196CC..EExtended strand (participates in β ladder)trans-88.2158.6-174.9-165.119.2000112.5V89 M90 T92 V122 I197 S199V89-N124 HydrophobicContact CG1-CB 3.72Å; M90-N124 WeakPolarHBondContact O-CB 3.49Å; M90-N124 PolarHBondContact O-N 3.15Å; T92-N124 VanDerWaalsContact CB-O 3.27Å; T92-N124 WeakPolarHBondContact CB-O 3.46Å; T92-N124 PolarHBondContact N-O 3.22Å; T92-N124 PolarHBondContact OG1-O 2.72Å; V122-N124 PolarHBondContact O-N 3.25Å; N124-I197 CarbonylContact C-O 3.43Å; N124-I197 VanDerWaalsContact CA-O 3.24Å; N124-I197 WeakPolarHBondContact CA-O 3.22Å; N124-I197 PolarHBondContact OD1-O 3.4Å; N124-S199 VanDerWaalsContact CG-OG 3.29Å; N124-S199 PolarHBondContact ND2-OG 3.4Å; N124-S199 VanDerWaalsContact ND2-OG 3.14Å; N124-S199 PolarHBondContact OD1-N 2.64Å; N124-S199 PolarHBondContact OD1-OG 3.08Å
125K95Very high92.4Very high69 Ų6936.3 Ų36.330%0.318%0.184SC..  trans69.141.2-179.2-47-172.1-162.4155.10113.9D91 P93 D127 I128 I129 I197D91-K125 WeakPolarHBondContact OD1-CD 3.47Å; D91-K125 WeakPolarHBondContact OD1-CE 3.48Å; D91-K125 IonicContact OD1-NZ 3.13Å; D91-K125 PolarHBondContact OD1-NZ 2.8Å; D91-K125 IonicContact OD2-NZ 2.81Å; D91-K125 PolarHBondContact OD2-NZ 3.39Å; P93-K125 HydrophobicContact CG-CB 4.22Å; K125-D127 VanDerWaalsContact CA-OD1 3.3Å; K125-D127 WeakPolarHBondContact CA-OD1 3.47Å; K125-D127 PolarHBondContact O-N 2.88Å; K125-D127 VanDerWaalsContact O-N 3.16Å; K125-I128 HydrophobicContact CB-CD1 4.24Å; K125-I128 HydrophobicContact CB-CG1 4.44Å; K125-I128 HydrophobicContact CD-CD1 4.06Å; K125-I128 PolarHBondContact O-N 3.16Å; K125-I128 VanDerWaalsContact O-N 3.08Å; K125-I129 PolarHBondContact O-N 3.34Å; K125-I197 PolarHBondContact N-O 3.05Å
126T92.4Very high92.6Very high16 Ų1640.5 Ų40.510%0.09820%0.203CC..THydrogen-bonded Turntrans-61.9-16.6173.257.60000113.5I128 I129 C131 I197 S198T126-I128 PolarHBondContact O-N 2.97Å; T126-I129 VanDerWaalsContact CA-O 3.32Å; T126-I129 WeakPolarHBondContact CA-O 3.17Å; T126-C131 HydrophobicContact CG2-CB 3.92Å; T126-I197 PolarHBondContact N-O 3.31Å; T126-I197 VanDerWaalsContact OG1-C 3.24Å; T126-I197 PolarHBondContact OG1-O 2.89Å; T126-S198 WeakPolarHBondContact OG1-CB 3.27Å; T126-S198 PolarHBondContact OG1-N 2.92Å; T126-S198 VanDerWaalsContact OG1-N 3.17Å
127D92.4Very high92.7Very high72 Ų7235.5 Ų35.539%0.38518%0.179SC..THydrogen-bonded Turntrans-67.2-22.4172.957-71.5000113.8K125 S198 I200 T201K125-D127 VanDerWaalsContact CA-OD1 3.3Å; K125-D127 WeakPolarHBondContact CA-OD1 3.47Å; K125-D127 PolarHBondContact O-N 2.88Å; K125-D127 VanDerWaalsContact O-N 3.16Å; D127-S198 WeakPolarHBondContact CB-OG 3.19Å; D127-S198 VanDerWaalsContact CG-OG 3.23Å; D127-S198 WeakPolarHBondContact OD1-CB 3.5Å; D127-S198 PolarHBondContact OD1-OG 3.37Å; D127-I200 HydrophobicContact CB-CG2 4.45Å; D127-T201 HydrophobicContact CB-CG2 3.88Å
128I92.7Very high92.6Very high108 Ų10835.9 Ų35.955%0.55418%0.181SC*.THydrogen-bonded Turntrans-95.6-51.5179.1-54.7178.8000110.4P93 K125 T126P93-I128 HydrophobicContact CG-CB 3.89Å; P93-I128 HydrophobicContact CG-CD1 4.2Å; P93-I128 HydrophobicContact CG-CG2 3.95Å; K125-I128 HydrophobicContact CB-CD1 4.24Å; K125-I128 HydrophobicContact CB-CG1 4.44Å; K125-I128 HydrophobicContact CD-CD1 4.06Å; K125-I128 PolarHBondContact O-N 3.16Å; K125-I128 VanDerWaalsContact O-N 3.08Å; T126-I128 PolarHBondContact O-N 2.97Å
129I91.1Very high92.3Very high55 Ų5545.7 Ų45.728%0.28222%0.218SC..SBendtrans-136.6130.5176.9-53.7-167.5000107.7T92 P93 H96 K125 T126 F133T92-I129 HydrophobicContact CG2-CB 4.38Å; T92-I129 WeakPolarHBondContact CG2-O 3.44Å; P93-I129 HydrophobicContact CB-CD1 4.26Å; P93-I129 HydrophobicContact CB-CG1 4.43Å; P93-I129 HydrophobicContact CG-CG1 4.32Å; H96-I129 HydrophobicContact CB-CD1 4.36Å; K125-I129 PolarHBondContact O-N 3.34Å; T126-I129 VanDerWaalsContact CA-O 3.32Å; T126-I129 WeakPolarHBondContact CA-O 3.17Å; I129-F133 HydrophobicContact CG2-CD1 4.25Å; I129-F133 HydrophobicContact CG2-CE1 3.74Å
130D91.5Very high91.9Very high87 Ų8748.4 Ų48.447%0.46523%0.233SC..  trans-62146.9176.6-166.85.6000111.9D132 F133D130-D132 VanDerWaalsContact C-N 3.33Å; D130-F133 WeakPolarHBondContact O-CD1 3.48Å; D130-F133 WeakPolarHBondContact O-CE1 3.34Å
131C90.7Very high91.4Very high11 Ų1151.6 Ų51.67%0.07425%0.247CC..SBendtrans-83.8-5.5-177.166.20000114.4T92 L123 T126 F133 A134 I135T92-C131 HydrophobicContact CG2-CB 4.49Å; L123-C131 HydrophobicContact CB-CB 3.94Å; L123-C131 HydrophobicContact CD1-CB 3.78Å; T126-C131 HydrophobicContact CG2-CB 3.92Å; C131-F133 VanDerWaalsContact C-N 3.28Å; C131-F133 PolarHBondContact O-N 3.08Å; C131-A134 WeakPolarHBondContact O-CB 3.39Å; C131-A134 PolarHBondContact O-N 2.91Å; C131-I135 PolarHBondContact O-N 3.12Å
132D91.8Very high91Very high84 Ų8458.4 Ų58.445%0.44928%0.278SS..Hα-helixtrans-55.7-38.6-175-86.5-0.8000113.4D130 A134 I135 Q136D130-D132 VanDerWaalsContact C-N 3.33Å; D132-A134 VanDerWaalsContact C-N 3.31Å; D132-A134 PolarHBondContact O-N 3.25Å; D132-I135 PolarHBondContact O-N 2.89Å; D132-Q136 WeakPolarHBondContact O-CB 3.43Å; D132-Q136 VanDerWaalsContact O-CG 3.28Å; D132-Q136 WeakPolarHBondContact O-CG 3.44Å; D132-Q136 PolarHBondContact O-N 2.85Å
133F92Very high90.6Very high29 Ų2960 Ų6013%0.12729%0.289CS..Hα-helixtrans-60.8-40.5177.773-92000111.9T92 S95 H96 I129 D130 C131 Q136 W137T92-F133 HydrophobicContact CG2-CE1 3.57Å; T92-F133 HydrophobicContact CG2-CZ 3.75Å; S95-F133 WeakPolarHBondContact O-CE2 3.47Å; H96-F133 HydrophobicContact CB-CZ 4.19Å; I129-F133 HydrophobicContact CG2-CD1 4.25Å; I129-F133 HydrophobicContact CG2-CE1 3.74Å; D130-F133 WeakPolarHBondContact O-CD1 3.48Å; D130-F133 WeakPolarHBondContact O-CE1 3.34Å; C131-F133 VanDerWaalsContact C-N 3.28Å; C131-F133 PolarHBondContact O-N 3.08Å; F133-Q136 PolarHBondContact O-N 3.49Å; F133-W137 HydrophobicContact CD2-CD2 4.16Å; F133-W137 AromaticContact CD2-CE3 3.89Å; F133-W137 HydrophobicContact CD2-CE3 3.89Å; F133-W137 AromaticContact CD2-CH2 3.65Å; F133-W137 HydrophobicContact CD2-CH2 3.65Å; F133-W137 AromaticContact CD2-CZ2 3.92Å; F133-W137 HydrophobicContact CD2-CZ2 3.92Å; F133-W137 AromaticContact CD2-CZ3 3.64Å; F133-W137 HydrophobicContact CD2-CZ3 3.64Å; F133-W137 HydrophobicContact CE2-CE3 4.21Å; F133-W137 AromaticContact CE2-CH2 3.99Å; F133-W137 HydrophobicContact CE2-CH2 3.99Å; F133-W137 AromaticContact CE2-CZ3 3.72Å; F133-W137 HydrophobicContact CE2-CZ3 3.72Å; F133-W137 PolarHBondContact O-N 2.89Å
134A91.3Very high90.2Very high0 Ų060.2 Ų60.20%029%0.289CS..Hα-helixtrans-70.9-37.8-178.900000110.7F101 L123 C131 D132 Q136 W137 M138F101-A134 HydrophobicContact CD2-CB 4.33Å; F101-A134 HydrophobicContact CE2-CB 3.78Å; F101-A134 HydrophobicContact CZ-CB 4.32Å; L123-A134 HydrophobicContact CD1-CB 3.74Å; L123-A134 HydrophobicContact CD2-CB 4.26Å; C131-A134 WeakPolarHBondContact O-CB 3.39Å; C131-A134 PolarHBondContact O-N 2.91Å; D132-A134 VanDerWaalsContact C-N 3.31Å; D132-A134 PolarHBondContact O-N 3.25Å; A134-Q136 VanDerWaalsContact C-N 3.35Å; A134-W137 PolarHBondContact O-N 3.34Å; A134-M138 WeakPolarHBondContact O-CE 3.33Å; A134-M138 WeakPolarHBondContact O-CG 3.49Å; A134-M138 PolarHBondContact O-N 3.12Å; A134-M138 VanDerWaalsContact O-N 3.12Å
135I89.8Confident89.8Confident29 Ų2960.8 Ų60.815%0.14929%0.291CS..Hα-helixtrans-65.5-40.8174.7-62.5172.6000110.7L123 C131 D132 M138 R139L123-I135 HydrophobicContact CD1-CG1 4.36Å; C131-I135 PolarHBondContact O-N 3.12Å; D132-I135 PolarHBondContact O-N 2.89Å; I135-M138 HydrophobicContact CB-CE 4.49Å; I135-M138 HydrophobicContact CG1-CE 4.21Å; I135-M138 PolarHBondContact O-N 2.92Å; I135-R139 WeakPolarHBondContact O-CG 3.47Å; I135-R139 PolarHBondContact O-N 3.47Å
136Q90.5Very high89.4Confident107 Ų10763 Ų6350%0.531%0.306SS..Hα-helixtrans-61.4-48.4174.5-73.4172.99.200111D132 F133 A134 M138 R139 D140D132-Q136 WeakPolarHBondContact O-CB 3.43Å; D132-Q136 VanDerWaalsContact O-CG 3.28Å; D132-Q136 WeakPolarHBondContact O-CG 3.44Å; D132-Q136 PolarHBondContact O-N 2.85Å; F133-Q136 PolarHBondContact O-N 3.49Å; A134-Q136 VanDerWaalsContact C-N 3.35Å; Q136-M138 VanDerWaalsContact C-N 3.26Å; Q136-M138 PolarHBondContact O-N 2.81Å; Q136-R139 PolarHBondContact O-N 3.18Å; Q136-D140 PolarHBondContact O-N 3.41Å
137W90.6Very high89.2Confident23 Ų2363.3 Ų63.39%0.08731%0.31CS..Hα-helixtrans-60.9-30.9178.6-67.6-10.7000114.6H96 P98 F101 F133 A134 F144 A147H96-W137 WeakPolarHBondContact O-CH2 3.49Å; P98-W137 HydrophobicContact CB-CH2 4.25Å; P98-W137 HydrophobicContact CB-CZ3 4.34Å; P98-W137 HydrophobicContact CG-CH2 3.64Å; P98-W137 HydrophobicContact CG-CZ2 3.97Å; P98-W137 HydrophobicContact CG-CZ3 4.22Å; F101-W137 HydrophobicContact CB-CE3 4.15Å; F101-W137 HydrophobicContact CB-CZ3 3.91Å; F101-W137 AromaticContact CD1-CE3 3.69Å; F101-W137 HydrophobicContact CD1-CE3 3.69Å; F101-W137 HydrophobicContact CD1-CZ3 4.33Å; F101-W137 HydrophobicContact CD2-CE3 4.48Å; F101-W137 HydrophobicContact CE1-CB 4.18Å; F101-W137 HydrophobicContact CE1-CE3 4.23Å; F101-W137 AromaticContact CG-CE3 3.84Å; F101-W137 HydrophobicContact CG-CE3 3.84Å; F101-W137 HydrophobicContact CG-CZ3 4.08Å; F133-W137 HydrophobicContact CD2-CD2 4.16Å; F133-W137 AromaticContact CD2-CE3 3.89Å; F133-W137 HydrophobicContact CD2-CE3 3.89Å; F133-W137 AromaticContact CD2-CH2 3.65Å; F133-W137 HydrophobicContact CD2-CH2 3.65Å; F133-W137 AromaticContact CD2-CZ2 3.92Å; F133-W137 HydrophobicContact CD2-CZ2 3.92Å; F133-W137 AromaticContact CD2-CZ3 3.64Å; F133-W137 HydrophobicContact CD2-CZ3 3.64Å; F133-W137 HydrophobicContact CE2-CE3 4.21Å; F133-W137 AromaticContact CE2-CH2 3.99Å; F133-W137 HydrophobicContact CE2-CH2 3.99Å; F133-W137 AromaticContact CE2-CZ3 3.72Å; F133-W137 HydrophobicContact CE2-CZ3 3.72Å; F133-W137 PolarHBondContact O-N 2.89Å; A134-W137 PolarHBondContact O-N 3.34Å; W137-F144 HydrophobicContact CB-CB 4.04Å; W137-F144 HydrophobicContact CB-CD2 3.87Å; W137-F144 HydrophobicContact CB-CG 4.39Å; W137-F144 AromaticContact CD2-CD2 3.91Å; W137-F144 HydrophobicContact CD2-CD2 3.91Å; W137-F144 HydrophobicContact CE3-CD2 4.13Å; W137-F144 HydrophobicContact CE3-CE2 4.4Å; W137-F144 HydrophobicContact CG-CB 4.14Å; W137-F144 AromaticContact CG-CD2 3.81Å; W137-F144 HydrophobicContact CG-CD2 3.81Å; W137-F144 HydrophobicContact CG-CG 4.48Å; W137-A147 HydrophobicContact CZ2-CB 3.56Å
138M88.2Confident88.8Confident19 Ų1960.3 Ų60.39%0.09429%0.294CS..Hα-helixtrans-76.5-27.5175.9-70.5-176.8-66.800113.3F101 M105 L121 A134 I135 Q136 Y189 L192 C194F101-M138 HydrophobicContact CE1-CG 4.23Å; F101-M138 HydrophobicContact CZ-CG 3.67Å; F101-M138 HydrophobicContact CZ-SD 4.15Å; M105-M138 HydrophobicContact SD-SD 4.18Å; L121-M138 HydrophobicContact CD2-SD 4.11Å; A134-M138 WeakPolarHBondContact O-CE 3.33Å; A134-M138 WeakPolarHBondContact O-CG 3.49Å; A134-M138 PolarHBondContact O-N 3.12Å; A134-M138 VanDerWaalsContact O-N 3.12Å; I135-M138 HydrophobicContact CB-CE 4.49Å; I135-M138 HydrophobicContact CG1-CE 4.21Å; I135-M138 PolarHBondContact O-N 2.92Å; Q136-M138 VanDerWaalsContact C-N 3.26Å; Q136-M138 PolarHBondContact O-N 2.81Å; M138-Y189 HydrophobicContact CB-CD1 4.11Å; M138-Y189 HydrophobicContact CB-CD2 4.18Å; M138-Y189 HydrophobicContact CB-CG 3.93Å; M138-Y189 HydrophobicContact CG-CD1 3.72Å; M138-Y189 HydrophobicContact CG-CD2 4.36Å; M138-Y189 HydrophobicContact CG-CE1 3.79Å; M138-Y189 HydrophobicContact CG-CE2 4.4Å; M138-Y189 HydrophobicContact CG-CG 4.04Å; M138-Y189 WeakPolarHBondContact O-CD2 3.43Å; M138-Y189 HydrophobicContact SD-CD1 3.99Å; M138-Y189 HydrophobicContact SD-CE1 4.2Å; M138-L192 HydrophobicContact SD-CD2 4.1Å; M138-C194 HydrophobicContact CE-CB 4.06Å
139R87.1Confident88.2Confident207 Ų20757.5 Ų57.578%0.78129%0.287SS*.Hα-helixtrans-100.3-25.8-174.3-68.7179.6175.9-177.1-1.8113.3I135 Q136I135-R139 WeakPolarHBondContact O-CG 3.47Å; I135-R139 PolarHBondContact O-N 3.47Å; Q136-R139 PolarHBondContact O-N 3.18Å
140D87Confident87.5Confident67 Ų6756.6 Ų56.636%0.35829%0.291SS..  trans-129.1100.3-176.8-173-19.9000109.3Q136 E142 T143 F144Q136-D140 PolarHBondContact O-N 3.41Å; D140-E142 VanDerWaalsContact C-N 3.26Å; D140-E142 PolarHBondContact O-N 2.85Å; D140-E142 WeakPolarHBondContact OD1-CB 3.44Å; D140-E142 PolarHBondContact OD1-N 2.91Å; D140-T143 HydrophobicContact CB-CG2 3.94Å; D140-T143 VanDerWaalsContact CG-CG2 3.47Å; D140-T143 PolarHBondContact O-N 3.37Å; D140-T143 PolarHBondContact O-OG1 3.49Å; D140-T143 PolarHBondContact OD1-N 3.41Å; D140-T143 VanDerWaalsContact OD2-CG2 3.28Å; D140-T143 WeakPolarHBondContact OD2-CG2 3.33Å; D140-F144 PolarHBondContact O-N 3.02Å
141F84.4Confident86.3Confident67 Ų6755.5 Ų55.529%0.29428%0.283SS..Hα-helixtrans-58.3-36.6177.7179.2-95.2000112.7F144 Q145 H179 S182 L183F141-F144 PolarHBondContact O-N 3.32Å; F141-Q145 HydrophobicContact CD1-CG 3.86Å; F141-Q145 HydrophobicContact CE1-CG 3.48Å; F141-Q145 VanDerWaalsContact CE1-CG 3.48Å; F141-Q145 HydrophobicContact CZ-CG 3.88Å; F141-Q145 WeakPolarHBondContact O-CG 3.28Å; F141-Q145 PolarHBondContact O-N 3.04Å; F141-H179 AromaticContact CZ-CE1 3.68Å; F141-H179 AromaticContact CZ-ND1 3.97Å; F141-S182 WeakPolarHBondContact CE2-OG 3.31Å; F141-L183 HydrophobicContact CE2-CD2 3.8Å; F141-L183 HydrophobicContact CE2-CG 4.32Å; F141-L183 HydrophobicContact CZ-CD2 3.76Å; F141-L183 HydrophobicContact CZ-CG 4.37Å
142E86.2Confident84.7Confident142 Ų14257.4 Ų57.466%0.66429%0.291SS*.Hα-helixtrans-66.3-43-178.5-63-175.4173.400110.4D140 F144 Q145 D146D140-E142 VanDerWaalsContact C-N 3.26Å; D140-E142 PolarHBondContact O-N 2.85Å; D140-E142 WeakPolarHBondContact OD1-CB 3.44Å; D140-E142 PolarHBondContact OD1-N 2.91Å; E142-F144 PolarHBondContact O-N 3Å; E142-Q145 PolarHBondContact O-N 3.37Å; E142-Q145 VanDerWaalsContact O-N 3.12Å; E142-D146 PolarHBondContact O-N 3.32Å
143T87.4Confident82.7Confident42 Ų4261.3 Ų61.326%0.25831%0.307SS..Hα-helixtrans-61.5-34.1176.366.10000112.8D140 A147D140-T143 HydrophobicContact CB-CG2 3.94Å; D140-T143 VanDerWaalsContact CG-CG2 3.47Å; D140-T143 PolarHBondContact O-N 3.37Å; D140-T143 PolarHBondContact O-OG1 3.49Å; D140-T143 PolarHBondContact OD1-N 3.41Å; D140-T143 VanDerWaalsContact OD2-CG2 3.28Å; D140-T143 WeakPolarHBondContact OD2-CG2 3.33Å; T143-A147 WeakPolarHBondContact O-CB 3.45Å; T143-A147 PolarHBondContact O-N 3.31Å
144F87.4Confident80.6Confident3 Ų364.1 Ų64.11%0.01333%0.33CS..Hα-helixtrans-69.8-43.4174.7177.4-100.2000111.8P98 F101 M102 W137 D140 F141 E142 D146 A147 L148 V178P98-F144 HydrophobicContact CB-CD2 4.44Å; P98-F144 HydrophobicContact CB-CE2 3.69Å; P98-F144 HydrophobicContact CB-CZ 4.16Å; F101-F144 HydrophobicContact CD1-CE2 4.24Å; M102-F144 HydrophobicContact CB-CZ 4.21Å; M102-F144 HydrophobicContact CE-CD1 4.04Å; M102-F144 HydrophobicContact CE-CD2 4.49Å; M102-F144 HydrophobicContact CE-CE1 3.3Å; M102-F144 HydrophobicContact CE-CE2 3.81Å; M102-F144 HydrophobicContact CE-CZ 3.16Å; W137-F144 HydrophobicContact CB-CB 4.04Å; W137-F144 HydrophobicContact CB-CD2 3.87Å; W137-F144 HydrophobicContact CB-CG 4.39Å; W137-F144 AromaticContact CD2-CD2 3.91Å; W137-F144 HydrophobicContact CD2-CD2 3.91Å; W137-F144 HydrophobicContact CE3-CD2 4.13Å; W137-F144 HydrophobicContact CE3-CE2 4.4Å; W137-F144 HydrophobicContact CG-CB 4.14Å; W137-F144 AromaticContact CG-CD2 3.81Å; W137-F144 HydrophobicContact CG-CD2 3.81Å; W137-F144 HydrophobicContact CG-CG 4.48Å; D140-F144 PolarHBondContact O-N 3.02Å; F141-F144 PolarHBondContact O-N 3.32Å; E142-F144 PolarHBondContact O-N 3Å; F144-D146 VanDerWaalsContact C-N 3.33Å; F144-D146 PolarHBondContact O-N 2.63Å; F144-A147 PolarHBondContact O-N 2.93Å; F144-L148 WeakPolarHBondContact O-CB 3.47Å; F144-L148 PolarHBondContact O-N 2.9Å; F144-V178 HydrophobicContact CE1-CG1 3.74Å; F144-V178 HydrophobicContact CZ-CG1 3.67Å
145Q85.9Confident78.3Confident40 Ų4067.2 Ų67.219%0.18735%0.349CS..Hα-helixtrans-62-41.6176.1-65.1-57.9-47.900111.4F141 E142 L148 A149 H179 S182F141-Q145 HydrophobicContact CD1-CG 3.86Å; F141-Q145 HydrophobicContact CE1-CG 3.48Å; F141-Q145 VanDerWaalsContact CE1-CG 3.48Å; F141-Q145 HydrophobicContact CZ-CG 3.88Å; F141-Q145 WeakPolarHBondContact O-CG 3.28Å; F141-Q145 PolarHBondContact O-N 3.04Å; E142-Q145 PolarHBondContact O-N 3.37Å; E142-Q145 VanDerWaalsContact O-N 3.12Å; Q145-L148 WeakPolarHBondContact O-CB 3.3Å; Q145-L148 PolarHBondContact O-N 3.36Å; Q145-A149 WeakPolarHBondContact O-CB 3.48Å; Q145-A149 PolarHBondContact O-N 3.36Å; Q145-H179 PolarHBondContact NE2-ND1 3.19Å; Q145-H179 PolarHBondContact OE1-ND1 3.07Å; Q145-S182 PolarHBondContact NE2-OG 3.33Å
146D87.7Confident75.8Confident115 Ų11573.9 Ų73.962%0.61539%0.385SS*.Hα-helixtrans-63.9-41.7176-75.9-12.6000111.7E142 F144 L148 A149 G150E142-D146 PolarHBondContact O-N 3.32Å; F144-D146 VanDerWaalsContact C-N 3.33Å; F144-D146 PolarHBondContact O-N 2.63Å; D146-L148 VanDerWaalsContact C-N 3.35Å; D146-A149 PolarHBondContact O-N 3.3Å; D146-G150 PolarHBondContact O-N 3.3Å
147A86.3Confident73Confident22 Ų2270.2 Ų70.218%0.18238%0.376CS..Hα-helixtrans-66-38.2176.300000112.4P98 W137 T143 F144 H151P98-A147 HydrophobicContact CG-CB 4.07Å; W137-A147 HydrophobicContact CZ2-CB 3.56Å; T143-A147 WeakPolarHBondContact O-CB 3.45Å; T143-A147 PolarHBondContact O-N 3.31Å; F144-A147 PolarHBondContact O-N 2.93Å; A147-H151 PolarHBondContact O-N 3.08Å; A147-H151 PolarHBondContact O-ND1 3.39Å
148L84.5Confident70.4Confident9 Ų975.4 Ų75.45%0.04741%0.413CS..Hα-helixtrans-61.7-51.3172.7-175.264.1000109.5P98 I99 F144 Q145 D146 G150 H151 H152 V178P98-L148 HydrophobicContact CB-CD1 4.3Å; I99-L148 HydrophobicContact CG1-CD1 3.94Å; F144-L148 WeakPolarHBondContact O-CB 3.47Å; F144-L148 PolarHBondContact O-N 2.9Å; Q145-L148 WeakPolarHBondContact O-CB 3.3Å; Q145-L148 PolarHBondContact O-N 3.36Å; D146-L148 VanDerWaalsContact C-N 3.35Å; L148-G150 PolarHBondContact O-N 3.32Å; L148-H151 PolarHBondContact O-N 3.06Å; L148-H152 PolarHBondContact O-CD2 3.32Å; L148-V178 HydrophobicContact CD1-CG1 4.15Å; L148-V178 HydrophobicContact CD2-CB 4.26Å; L148-V178 HydrophobicContact CD2-CG1 3.69Å
149A81.3Confident68Low49 Ų4980.4 Ų80.441%0.40545%0.449SS..Hα-helixtrans-59-40.9177.800000113.1Q145 D146 H151 H152Q145-A149 WeakPolarHBondContact O-CB 3.48Å; Q145-A149 PolarHBondContact O-N 3.36Å; D146-A149 PolarHBondContact O-N 3.3Å; A149-H151 PolarHBondContact O-N 3.1Å; A149-H152 VanDerWaalsContact CA-CD2 3.44Å; A149-H152 WeakPolarHBondContact CA-CD2 3.36Å; A149-H152 VanDerWaalsContact O-CB 3.27Å; A149-H152 WeakPolarHBondContact O-CB 3.46Å; A149-H152 PolarHBondContact O-CD2 3.25Å; A149-H152 VanDerWaalsContact O-CD2 3.3Å; A149-H152 PolarHBondContact O-N 3.2Å; A149-H152 VanDerWaalsContact O-N 3.14Å
150G75.1Confident65.5Low36 Ų3679 Ų7937%0.37145%0.452SS..Hα-helixtrans-67.3-32.5178.700000113.7D146 L148 H152 Q153D146-G150 PolarHBondContact O-N 3.3Å; L148-G150 PolarHBondContact O-N 3.32Å; G150-H152 PolarHBondContact O-N 2.77Å; G150-Q153 PolarHBondContact O-N 3.49Å; G150-Q153 VanDerWaalsContact O-N 3.14Å
151H66.6Low63.2Low64 Ų6484 Ų8430%0.29648%0.478SS..Hα-helixtrans-64.9-17.9173-85.274000112.9P98 A147 L148 A149 Q153P98-H151 WeakPolarHBondContact CD-CE1 3.1Å; P98-H151 WeakPolarHBondContact CD-ND1 3.47Å; A147-H151 PolarHBondContact O-N 3.08Å; A147-H151 PolarHBondContact O-ND1 3.39Å; L148-H151 PolarHBondContact O-N 3.06Å; A149-H151 PolarHBondContact O-N 3.1Å; H151-Q153 VanDerWaalsContact C-N 3.33Å
152H58.4Low60.9Low52 Ų5290.6 Ų90.624%0.24151%0.509CS..THydrogen-bonded Turntrans-69.8-27.3173.2-64.3-112.2000113.6L148 A149 G150 P166 C167 N175L148-H152 PolarHBondContact O-CD2 3.32Å; A149-H152 VanDerWaalsContact CA-CD2 3.44Å; A149-H152 WeakPolarHBondContact CA-CD2 3.36Å; A149-H152 VanDerWaalsContact O-CB 3.27Å; A149-H152 WeakPolarHBondContact O-CB 3.46Å; A149-H152 PolarHBondContact O-CD2 3.25Å; A149-H152 VanDerWaalsContact O-CD2 3.3Å; A149-H152 PolarHBondContact O-N 3.2Å; A149-H152 VanDerWaalsContact O-N 3.14Å; G150-H152 PolarHBondContact O-N 2.77Å; H152-P166 PolarHBondContact CE1-O 3.19Å; H152-P166 PolarHBondContact ND1-O 3.14Å; H152-C167 VanDerWaalsContact CA-SG 3.59Å; H152-C167 PolarHBondContact ND1-SG 3.3Å; H152-N175 VanDerWaalsContact CE1-CG 3.46Å; H152-N175 PolarHBondContact CE1-ND2 2.9Å
153Q49.9Very low58.6Low166 Ų16685.9 Ų85.978%0.77650%0.499SS*.THydrogen-bonded Turntrans-86.5-21.2-172.4-63.9-177.918.500113.7G150 H151G150-Q153 PolarHBondContact O-N 3.49Å; G150-Q153 VanDerWaalsContact O-N 3.14Å; H151-Q153 VanDerWaalsContact C-N 3.33Å
154S46.6Very low56.5Low87 Ų8791.8 Ų91.861%0.60853%0.529SS*.SBendtrans-90.3-0.5-174.350.10000114.4D156S154-D156 PolarHBondContact O-N 3.44Å
155T44.1Very low54.2Low66 Ų6697 Ų9741%0.40556%0.557SS.*  trans-95.277.8174.1-37.40000109.1G157 P168T155-G157 PolarHBondContact O-N 2.99Å; T155-P168 HydrophobicContact CG2-CG 4.27Å; T155-P168 WeakPolarHBondContact CG2-O 3.3Å; T155-P168 VanDerWaalsContact O-CG 3.29Å; T155-P168 WeakPolarHBondContact O-CG 3.45Å
156D35.7Very low52.4Low168 Ų16899 Ų9990%0.89857%0.573SS**  trans-65.673.6171-81.7-35.5000110.4S154S154-D156 PolarHBondContact O-N 3.44Å
157G33.6Very low50.2Low31 Ų3194.2 Ų94.232%0.3255%0.549SS..  trans-110.5141.2165.100000109.8T155 S159T155-G157 PolarHBondContact O-N 2.99Å; G157-S159 PolarHBondContact O-N 2.82Å
158P34.4Very low48.3Very low131 Ų13196.5 Ų96.585%0.85156%0.562SS**  trans-62121.6-166.8-14.926.8000112.3E160P158-E160 VanDerWaalsContact C-N 3.32Å; P158-E160 PolarHBondContact O-N 2.86Å
159S37.6Very low46.8Very low124 Ų12499.7 Ų99.787%0.86760%0.597SS**  trans-70.578.9171171.10000110.6G157G157-S159 PolarHBondContact O-N 2.82Å
160E34.7Very low45.4Very low178 Ų17899 Ų9983%0.83259%0.588SS**  trans-131.425.3171.3-72.1-160.6170.300114.7P158P158-E160 VanDerWaalsContact C-N 3.32Å; P158-E160 PolarHBondContact O-N 2.86Å
161L39.5Very low45.1Very low172 Ų172100.3 Ų100.390%0.90159%0.591SS**  trans-12293.8166.3-87.6152.4000109.4G163L161-G163 PolarHBondContact O-N 3.21Å; L161-G163 VanDerWaalsContact O-N 3.1Å
162E35.3Very low45.3Very low206 Ų20699.4 Ų99.496%0.96359%0.591SS**  trans-48.7110.3166.3-67.2-173.7150.100110
163G38.9Very low46.3Very low43 Ų43104.3 Ų104.344%0.44361%0.608SS.*SBendtrans160.376.9173.700000110.2L161 N165L161-G163 PolarHBondContact O-N 3.21Å; L161-G163 VanDerWaalsContact O-N 3.1Å; G163-N165 VanDerWaalsContact O-CB 3.28Å; G163-N165 WeakPolarHBondContact O-CB 3.24Å; G163-N165 PolarHBondContact O-N 2.84Å; G163-N165 PolarHBondContact O-ND2 2.87Å
164D43.3Very low47.7Very low166 Ų16699.4 Ų99.489%0.88859%0.587SS**SBendtrans28.936.7156.2-87-6.8000118P166D164-P166 WeakPolarHBondContact O-CD 3.35Å
165N38.8Very low49.1Very low111 Ų11196.3 Ų96.359%0.59456%0.563SS**  trans-113.290.9-178-85-54.1000108.3G163 C167 P172G163-N165 VanDerWaalsContact O-CB 3.28Å; G163-N165 WeakPolarHBondContact O-CB 3.24Å; G163-N165 PolarHBondContact O-N 2.84Å; G163-N165 PolarHBondContact O-ND2 2.87Å; N165-C167 PolarHBondContact O-N 2.89Å; N165-P172 WeakPolarHBondContact OD1-CD 3.27Å; N165-P172 WeakPolarHBondContact OD1-CG 3.32Å
166P48.8Very low51.1Low82 Ų8296.8 Ų96.853%0.53257%0.569SS.*  trans-79.965.417733.2-35.6000110.5H152 D164H152-P166 PolarHBondContact CE1-O 3.19Å; H152-P166 PolarHBondContact ND1-O 3.14Å; D164-P166 WeakPolarHBondContact O-CD 3.35Å
167C41.3Very low53.4Low16 Ų1691.6 Ų91.611%0.10854%0.541CS..  trans176.6121.4148.7-1270000111.6H152 N165 G169 T170H152-C167 VanDerWaalsContact CA-SG 3.59Å; H152-C167 PolarHBondContact ND1-SG 3.3Å; N165-C167 PolarHBondContact O-N 2.89Å; C167-G169 VanDerWaalsContact C-N 3.31Å; C167-G169 PolarHBondContact O-N 3.29Å; C167-T170 WeakPolarHBondContact CB-O 3.22Å
168P46.9Very low55.9Low69 Ų6990.1 Ų90.145%0.44853%0.526SS..SBendtrans-79.779.9170.531.4-29.1000109.7T155T155-P168 HydrophobicContact CG2-CG 4.27Å; T155-P168 WeakPolarHBondContact CG2-O 3.3Å; T155-P168 VanDerWaalsContact O-CG 3.29Å; T155-P168 WeakPolarHBondContact O-CG 3.45Å
169G51.9Low58.3Low77 Ų7787.4 Ų87.479%0.79450%0.502SS*.SBendtrans147.9-25.9175.100000114.1C167C167-G169 VanDerWaalsContact C-N 3.31Å; C167-G169 PolarHBondContact O-N 3.29Å
170T52.9Low60.6Low34 Ų3484.5 Ų84.521%0.20948%0.481CS..SBendtrans-121.2116.8176.1-57.40000108.8I99 C167 M174I99-T170 HydrophobicContact CD1-CG2 3.59Å; C167-T170 WeakPolarHBondContact CB-O 3.22Å; T170-M174 HydrophobicContact CG2-CB 3.59Å; T170-M174 HydrophobicContact CG2-CG 4.37Å
171S68.6Low63.1Low63 Ų6377.3 Ų77.344%0.44145%0.448SS..  trans-55.8140.8177.4177.30000110.6Y173 M174 N175S171-Y173 PolarHBondContact O-N 3.21Å; S171-Y173 WeakPolarHBondContact OG-CB 3.22Å; S171-Y173 PolarHBondContact OG-N 2.78Å; S171-M174 WeakPolarHBondContact O-CB 3.4Å; S171-M174 PolarHBondContact O-N 2.76Å; S171-N175 PolarHBondContact O-N 2.85Å
172P70.4Confident65.2Low46 Ų4669.3 Ų69.330%0.29941%0.406SS..Hα-helixtrans-52.3-28.2170.323.9-36.6000112.8N165 M174 N175 S176N165-P172 WeakPolarHBondContact OD1-CD 3.27Å; N165-P172 WeakPolarHBondContact OD1-CG 3.32Å; P172-M174 PolarHBondContact O-N 2.99Å; P172-N175 PolarHBondContact O-N 3.25Å; P172-S176 PolarHBondContact O-N 3.47Å; P172-S176 VanDerWaalsContact O-N 3.12Å
173Y79.5Confident67.5Low154 Ų15464.5 Ų64.560%0.60439%0.387SS*.Hα-helixtrans-57.5-44.8171.6176-99.2000112.5S171 N175 S176 L177S171-Y173 PolarHBondContact O-N 3.21Å; S171-Y173 WeakPolarHBondContact OG-CB 3.22Å; S171-Y173 PolarHBondContact OG-N 2.78Å; Y173-N175 VanDerWaalsContact C-N 3.27Å; Y173-N175 PolarHBondContact O-N 3.48Å; Y173-S176 PolarHBondContact O-N 3.4Å; Y173-L177 HydrophobicContact CE1-CD2 4.03Å; Y173-L177 VanDerWaalsContact O-CB 3.3Å; Y173-L177 WeakPolarHBondContact O-CB 3.47Å; Y173-L177 PolarHBondContact O-N 3.29Å
174M79.1Confident69.7Low64 Ų6467.7 Ų67.732%0.31540%0.398SS..Hα-helixtrans-63.6-34.4179.7-73.3-64.7-6900111.6I99 T170 S171 P172 L177 V178I99-M174 HydrophobicContact CG2-CE 4.09Å; T170-M174 HydrophobicContact CG2-CB 3.59Å; T170-M174 HydrophobicContact CG2-CG 4.37Å; S171-M174 WeakPolarHBondContact O-CB 3.4Å; S171-M174 PolarHBondContact O-N 2.76Å; P172-M174 PolarHBondContact O-N 2.99Å; M174-L177 PolarHBondContact O-N 3.23Å; M174-L177 HydrophobicContact SD-CD2 4.33Å; M174-V178 WeakPolarHBondContact O-CB 3.41Å; M174-V178 VanDerWaalsContact O-CG2 3.22Å; M174-V178 WeakPolarHBondContact O-CG2 3.34Å; M174-V178 PolarHBondContact O-N 2.88Å
175N76.9Confident71.8Confident21 Ų2159.9 Ų59.911%0.11236%0.356CS..Hα-helixtrans-70.6-45.7178.1-60-43.9000111.5H152 S171 P172 Y173 L177 V178 H179H152-N175 VanDerWaalsContact CE1-CG 3.46Å; H152-N175 PolarHBondContact CE1-ND2 2.9Å; S171-N175 PolarHBondContact O-N 2.85Å; P172-N175 PolarHBondContact O-N 3.25Å; Y173-N175 VanDerWaalsContact C-N 3.27Å; Y173-N175 PolarHBondContact O-N 3.48Å; N175-L177 VanDerWaalsContact C-N 3.25Å; N175-L177 PolarHBondContact O-N 3.4Å; N175-V178 PolarHBondContact O-N 3.37Å; N175-H179 WeakPolarHBondContact O-CB 3.19Å; N175-H179 PolarHBondContact O-N 3.11Å
176S84.7Confident74Confident76 Ų7658.8 Ų58.853%0.53135%0.35SS..Hα-helixtrans-58.6-41172.5-173.20000111.3P172 Y173 H179 S180P172-S176 PolarHBondContact O-N 3.47Å; P172-S176 VanDerWaalsContact O-N 3.12Å; Y173-S176 PolarHBondContact O-N 3.4Å; S176-H179 PolarHBondContact O-N 3.41Å; S176-S180 PolarHBondContact O-N 3.14Å; S176-S180 PolarHBondContact O-OG 3.4Å
177L85.5Confident75.7Confident59 Ų5961.7 Ų61.731%0.30936%0.356SS..Hα-helixtrans-65.6-48178.5-177.962.8000111.6Y173 M174 N175 H179 S180 M181Y173-L177 HydrophobicContact CE1-CD2 4.03Å; Y173-L177 VanDerWaalsContact O-CB 3.3Å; Y173-L177 WeakPolarHBondContact O-CB 3.47Å; Y173-L177 PolarHBondContact O-N 3.29Å; M174-L177 PolarHBondContact O-N 3.23Å; M174-L177 HydrophobicContact SD-CD2 4.33Å; N175-L177 VanDerWaalsContact C-N 3.25Å; N175-L177 PolarHBondContact O-N 3.4Å; L177-H179 VanDerWaalsContact C-N 3.29Å; L177-H179 PolarHBondContact O-N 3.11Å; L177-S180 PolarHBondContact O-N 2.98Å; L177-M181 HydrophobicContact CD1-CG 4.4Å; L177-M181 HydrophobicContact CD2-CE 4.5Å; L177-M181 HydrophobicContact CG-CE 3.98Å; L177-M181 HydrophobicContact CG-CG 4.47Å; L177-M181 HydrophobicContact CG-SD 4.21Å; L177-M181 WeakPolarHBondContact O-CB 3.44Å; L177-M181 VanDerWaalsContact O-CG 3.27Å; L177-M181 WeakPolarHBondContact O-CG 3.46Å; L177-M181 PolarHBondContact O-N 3.01Å
178V85.7Confident77.9Confident0 Ų061.1 Ų61.10%035%0.352CS..Hα-helixtrans-60.3-40.5176.8167.60000111.1I99 M102 F144 L148 M174 N175 M181 S182I99-V178 HydrophobicContact CG2-CG2 4.45Å; M102-V178 HydrophobicContact CB-CG1 4.29Å; M102-V178 HydrophobicContact CG-CG1 4.09Å; M102-V178 HydrophobicContact CG-CG2 4.49Å; F144-V178 HydrophobicContact CE1-CG1 3.74Å; F144-V178 HydrophobicContact CZ-CG1 3.67Å; L148-V178 HydrophobicContact CD1-CG1 4.15Å; L148-V178 HydrophobicContact CD2-CB 4.26Å; L148-V178 HydrophobicContact CD2-CG1 3.69Å; M174-V178 WeakPolarHBondContact O-CB 3.41Å; M174-V178 VanDerWaalsContact O-CG2 3.22Å; M174-V178 WeakPolarHBondContact O-CG2 3.34Å; M174-V178 PolarHBondContact O-N 2.88Å; N175-V178 PolarHBondContact O-N 3.37Å; V178-M181 HydrophobicContact CB-CE 4.24Å; V178-M181 HydrophobicContact CG2-CE 3.71Å; V178-M181 PolarHBondContact O-N 3.45Å; V178-S182 WeakPolarHBondContact O-CB 3.39Å; V178-S182 PolarHBondContact O-N 3.44Å; V178-S182 PolarHBondContact O-OG 3.24Å
179H84Confident79.8Confident75 Ų7559.2 Ų59.235%0.34734%0.336SS..Hα-helixtrans-61.3-49.4174.3-174.379.6000111.7F141 Q145 N175 S176 L177 M181 S182 L183F141-H179 AromaticContact CZ-CE1 3.68Å; F141-H179 AromaticContact CZ-ND1 3.97Å; Q145-H179 PolarHBondContact NE2-ND1 3.19Å; Q145-H179 PolarHBondContact OE1-ND1 3.07Å; N175-H179 WeakPolarHBondContact O-CB 3.19Å; N175-H179 PolarHBondContact O-N 3.11Å; S176-H179 PolarHBondContact O-N 3.41Å; L177-H179 VanDerWaalsContact C-N 3.29Å; L177-H179 PolarHBondContact O-N 3.11Å; H179-M181 VanDerWaalsContact C-N 3.34Å; H179-M181 PolarHBondContact O-N 2.81Å; H179-S182 WeakPolarHBondContact CA-OG 3.34Å; H179-S182 PolarHBondContact O-N 2.87Å; H179-S182 PolarHBondContact O-OG 3.02Å; H179-L183 PolarHBondContact O-N 3.18Å
180S87Confident81.4Confident62 Ų6260.2 Ų60.243%0.43433%0.331SS..Hα-helixtrans-61.1-40.5175.7-61.90000112.8S176 L177 S182 L183 V184S176-S180 PolarHBondContact O-N 3.14Å; S176-S180 PolarHBondContact O-OG 3.4Å; L177-S180 PolarHBondContact O-N 2.98Å; S180-S182 VanDerWaalsContact C-N 3.34Å; S180-S182 PolarHBondContact O-N 3.32Å; S180-L183 PolarHBondContact O-N 3.02Å; S180-V184 PolarHBondContact O-N 2.98Å
181M86.2Confident82.9Confident27 Ų2763.6 Ų63.613%0.13335%0.352CS..Hα-helixtrans-64-39.4176.7-71.1-175.2-58.400111.9M102 L106 L177 V178 H179 L183 V184 L185M102-M181 HydrophobicContact CG-CB 4.17Å; M102-M181 HydrophobicContact CG-CE 3.8Å; M102-M181 HydrophobicContact SD-CB 4.17Å; L106-M181 HydrophobicContact CD2-SD 3.74Å; L177-M181 HydrophobicContact CD1-CG 4.4Å; L177-M181 HydrophobicContact CD2-CE 4.5Å; L177-M181 HydrophobicContact CG-CE 3.98Å; L177-M181 HydrophobicContact CG-CG 4.47Å; L177-M181 HydrophobicContact CG-SD 4.21Å; L177-M181 WeakPolarHBondContact O-CB 3.44Å; L177-M181 VanDerWaalsContact O-CG 3.27Å; L177-M181 WeakPolarHBondContact O-CG 3.46Å; L177-M181 PolarHBondContact O-N 3.01Å; V178-M181 HydrophobicContact CB-CE 4.24Å; V178-M181 HydrophobicContact CG2-CE 3.71Å; V178-M181 PolarHBondContact O-N 3.45Å; H179-M181 VanDerWaalsContact C-N 3.34Å; H179-M181 PolarHBondContact O-N 2.81Å; M181-L183 VanDerWaalsContact C-N 3.29Å; M181-L183 PolarHBondContact O-N 3.43Å; M181-V184 PolarHBondContact O-N 3.2Å; M181-V184 VanDerWaalsContact O-N 3.17Å; M181-L185 WeakPolarHBondContact O-CG 3.38Å; M181-L185 PolarHBondContact O-N 3.31Å
182S83.1Confident83.8Confident4 Ų461.8 Ų61.83%0.02834%0.337CS..Hα-helixtrans-63.1-33.9179.858.10000113.2F141 Q145 V178 H179 S180 L185 D186F141-S182 WeakPolarHBondContact CE2-OG 3.31Å; Q145-S182 PolarHBondContact NE2-OG 3.33Å; V178-S182 WeakPolarHBondContact O-CB 3.39Å; V178-S182 PolarHBondContact O-N 3.44Å; V178-S182 PolarHBondContact O-OG 3.24Å; H179-S182 WeakPolarHBondContact CA-OG 3.34Å; H179-S182 PolarHBondContact O-N 2.87Å; H179-S182 PolarHBondContact O-OG 3.02Å; S180-S182 VanDerWaalsContact C-N 3.34Å; S180-S182 PolarHBondContact O-N 3.32Å; S182-L185 PolarHBondContact O-N 3.27Å; S182-D186 PolarHBondContact O-N 3.38Å
183L84.8Confident84.7Confident105 Ų10561.8 Ų61.855%0.5533%0.331SS..Hα-helixtrans-68.7-35.9174.9-65.1174.8000112.6F141 H179 S180 M181F141-L183 HydrophobicContact CE2-CD2 3.8Å; F141-L183 HydrophobicContact CE2-CG 4.32Å; F141-L183 HydrophobicContact CZ-CD2 3.76Å; F141-L183 HydrophobicContact CZ-CG 4.37Å; H179-L183 PolarHBondContact O-N 3.18Å; S180-L183 PolarHBondContact O-N 3.02Å; M181-L183 VanDerWaalsContact C-N 3.29Å; M181-L183 PolarHBondContact O-N 3.43Å
184V84.6Confident85.3Confident111 Ų11155.3 Ų55.367%0.67331%0.308SS*.Hα-helixtrans-73.2-31.2178.4176.50000111.4S180 M181 D186S180-V184 PolarHBondContact O-N 2.98Å; M181-V184 PolarHBondContact O-N 3.2Å; M181-V184 VanDerWaalsContact O-N 3.17Å; V184-D186 VanDerWaalsContact C-N 3.35Å
185L87.1Confident86Confident2 Ų252.3 Ų52.31%0.0129%0.293CS..Hα-helixtrans-84.3-5.5-176.5-69.9167.7000114.2M102 M105 L106 C109 M181 S182 E187 F188 Y189M102-L185 HydrophobicContact SD-CD1 3.32Å; M102-L185 WeakPolarHBondContact SD-CD1 3.38Å; M105-L185 HydrophobicContact CB-CD1 4.13Å; L106-L185 HydrophobicContact CB-CD1 4.49Å; C109-L185 HydrophobicContact CB-CD2 3.75Å; M181-L185 WeakPolarHBondContact O-CG 3.38Å; M181-L185 PolarHBondContact O-N 3.31Å; S182-L185 PolarHBondContact O-N 3.27Å; L185-E187 PolarHBondContact O-N 3.38Å; L185-F188 HydrophobicContact CD2-CB 4.12Å; L185-F188 HydrophobicContact CD2-CD1 3.8Å; L185-F188 HydrophobicContact CD2-CG 4.17Å; L185-F188 WeakPolarHBondContact O-CA 3.34Å; L185-F188 WeakPolarHBondContact O-CB 3.43Å; L185-F188 PolarHBondContact O-N 3.38Å; L185-F188 VanDerWaalsContact O-N 3.12Å; L185-Y189 HydrophobicContact CB-CD2 4.48Å; L185-Y189 HydrophobicContact CB-CE1 4.38Å; L185-Y189 HydrophobicContact CB-CE2 3.88Å; L185-Y189 VanDerWaalsContact O-CD2 3.27Å; L185-Y189 WeakPolarHBondContact O-CD2 3.5Å; L185-Y189 VanDerWaalsContact O-CG 3.3Å; L185-Y189 PolarHBondContact O-N 3.12Å
186D84.3Confident86.8Confident87 Ų8752 Ų5247%0.46530%0.295SS..Hα-helixtrans-61.9-42178.9-166.750.5000112.5S182 V184 F188 Y189 S190S182-D186 PolarHBondContact O-N 3.38Å; V184-D186 VanDerWaalsContact C-N 3.35Å; D186-F188 VanDerWaalsContact C-N 3.32Å; D186-F188 PolarHBondContact O-N 3.08Å; D186-Y189 PolarHBondContact O-N 3.03Å; D186-S190 PolarHBondContact O-N 3.34Å; D186-S190 VanDerWaalsContact O-N 3.13Å; D186-S190 PolarHBondContact O-OG 3Å
187E84.9Confident87.4Confident144 Ų14448.5 Ų48.567%0.67327%0.27SS*.Hα-helixtrans-65.7-37.5173.7-173.5176.4-174.700111.6L185 S190L185-E187 PolarHBondContact O-N 3.38Å; E187-S190 PolarHBondContact O-N 3.26Å
188F87.6Confident87.8Confident4 Ų445.7 Ų45.72%0.01826%0.256CS..Hα-helixtrans-62.6-46.5175.5170.6-110.3000111.1M105 A108 C109 L112 F119 L185 D186 S190 T191 L192M105-F188 HydrophobicContact SD-CE1 4.32Å; A108-F188 HydrophobicContact CB-CZ 4.11Å; C109-F188 HydrophobicContact CB-CD1 4.1Å; C109-F188 HydrophobicContact CB-CD2 3.88Å; C109-F188 HydrophobicContact CB-CE1 4.07Å; C109-F188 HydrophobicContact CB-CE2 3.85Å; C109-F188 HydrophobicContact CB-CG 4Å; C109-F188 HydrophobicContact CB-CZ 3.94Å; L112-F188 HydrophobicContact CB-CE2 4.25Å; L112-F188 HydrophobicContact CD2-CD2 3.73Å; L112-F188 HydrophobicContact CD2-CE2 3.53Å; F119-F188 HydrophobicContact CE1-CZ 4.47Å; L185-F188 HydrophobicContact CD2-CB 4.12Å; L185-F188 HydrophobicContact CD2-CD1 3.8Å; L185-F188 HydrophobicContact CD2-CG 4.17Å; L185-F188 WeakPolarHBondContact O-CA 3.34Å; L185-F188 WeakPolarHBondContact O-CB 3.43Å; L185-F188 PolarHBondContact O-N 3.38Å; L185-F188 VanDerWaalsContact O-N 3.12Å; D186-F188 VanDerWaalsContact C-N 3.32Å; D186-F188 PolarHBondContact O-N 3.08Å; F188-S190 VanDerWaalsContact C-N 3.3Å; F188-S190 PolarHBondContact O-N 2.96Å; F188-T191 PolarHBondContact O-N 3.23Å; F188-T191 PolarHBondContact O-OG1 3.14Å; F188-L192 HydrophobicContact CD1-CD2 4.36Å; F188-L192 HydrophobicContact CE1-CD1 4.41Å; F188-L192 HydrophobicContact CE1-CD2 3.67Å; F188-L192 HydrophobicContact CE2-CD1 4.01Å; F188-L192 HydrophobicContact CZ-CD1 3.74Å; F188-L192 HydrophobicContact CZ-CD2 3.85Å; F188-L192 HydrophobicContact CZ-CG 4.33Å; F188-L192 VanDerWaalsContact O-CB 3.31Å; F188-L192 WeakPolarHBondContact O-CB 3.34Å; F188-L192 PolarHBondContact O-N 3.11Å; F188-L192 VanDerWaalsContact O-N 3.13Å
189Y87.5Confident88.1Confident28 Ų2849.8 Ų49.811%0.1128%0.284CS..Hα-helixtrans-65.2-32.1179.2-61.1-35.3000113.5M105 M138 L185 D186 T191 L192M105-Y189 HydrophobicContact CB-CE1 4.11Å; M105-Y189 WeakPolarHBondContact CB-OH 3.22Å; M105-Y189 HydrophobicContact CG-CE1 3.82Å; M105-Y189 WeakPolarHBondContact CG-OH 3.42Å; M105-Y189 HydrophobicContact SD-CE1 3.62Å; M138-Y189 HydrophobicContact CB-CD1 4.11Å; M138-Y189 HydrophobicContact CB-CD2 4.18Å; M138-Y189 HydrophobicContact CB-CG 3.93Å; M138-Y189 HydrophobicContact CG-CD1 3.72Å; M138-Y189 HydrophobicContact CG-CD2 4.36Å; M138-Y189 HydrophobicContact CG-CE1 3.79Å; M138-Y189 HydrophobicContact CG-CE2 4.4Å; M138-Y189 HydrophobicContact CG-CG 4.04Å; M138-Y189 WeakPolarHBondContact O-CD2 3.43Å; M138-Y189 HydrophobicContact SD-CD1 3.99Å; M138-Y189 HydrophobicContact SD-CE1 4.2Å; L185-Y189 HydrophobicContact CB-CD2 4.48Å; L185-Y189 HydrophobicContact CB-CE1 4.38Å; L185-Y189 HydrophobicContact CB-CE2 3.88Å; L185-Y189 VanDerWaalsContact O-CD2 3.27Å; L185-Y189 WeakPolarHBondContact O-CD2 3.5Å; L185-Y189 VanDerWaalsContact O-CG 3.3Å; L185-Y189 PolarHBondContact O-N 3.12Å; D186-Y189 PolarHBondContact O-N 3.03Å; Y189-T191 PolarHBondContact O-N 3Å; Y189-L192 HydrophobicContact CD1-CD2 4.2Å; Y189-L192 PolarHBondContact O-N 3.46Å
190S84.2Confident88.5Confident98 Ų9853 Ų5369%0.68530%0.303SS*.Hα-helixtrans-62.1-28.2178.4-66.20000113.4D186 E187 F188D186-S190 PolarHBondContact O-N 3.34Å; D186-S190 VanDerWaalsContact O-N 3.13Å; D186-S190 PolarHBondContact O-OG 3Å; E187-S190 PolarHBondContact O-N 3.26Å; F188-S190 VanDerWaalsContact C-N 3.3Å; F188-S190 PolarHBondContact O-N 2.96Å
191T84.4Confident88.8Confident106 Ų10654.2 Ų54.265%0.6531%0.307SS*.Hα-helixtrans-105.3-10.7-179.259.10000113.3F188 Y189 R193F188-T191 PolarHBondContact O-N 3.23Å; F188-T191 PolarHBondContact O-OG1 3.14Å; Y189-T191 PolarHBondContact O-N 3Å; T191-R193 PolarHBondContact O-N 2.61Å
192L87.5Confident89Confident25 Ų2554.8 Ų54.813%0.13132%0.321CS..  trans-77.7120.2-172.2-175.165.7000112.1M105 F119 L121 M138 F188 Y189M105-L192 HydrophobicContact SD-CD2 4.42Å; F119-L192 HydrophobicContact CD1-CD1 3.56Å; F119-L192 HydrophobicContact CE1-CD1 3.78Å; L121-L192 HydrophobicContact CB-CD1 4.11Å; L121-L192 HydrophobicContact CB-CD2 4.14Å; L121-L192 HydrophobicContact CB-CG 4.2Å; L121-L192 HydrophobicContact CD2-CD2 3.83Å; M138-L192 HydrophobicContact SD-CD2 4.1Å; F188-L192 HydrophobicContact CD1-CD2 4.36Å; F188-L192 HydrophobicContact CE1-CD1 4.41Å; F188-L192 HydrophobicContact CE1-CD2 3.67Å; F188-L192 HydrophobicContact CE2-CD1 4.01Å; F188-L192 HydrophobicContact CZ-CD1 3.74Å; F188-L192 HydrophobicContact CZ-CD2 3.85Å; F188-L192 HydrophobicContact CZ-CG 4.33Å; F188-L192 VanDerWaalsContact O-CB 3.31Å; F188-L192 WeakPolarHBondContact O-CB 3.34Å; F188-L192 PolarHBondContact O-N 3.11Å; F188-L192 VanDerWaalsContact O-N 3.13Å; Y189-L192 HydrophobicContact CD1-CD2 4.2Å; Y189-L192 PolarHBondContact O-N 3.46Å
193R91.1Very high89.5Confident45 Ų4560.3 Ų60.317%0.1735%0.346CS..EExtended strand (participates in β ladder)trans-73127.9164.5-69.1-170.7-177.894.65.1110.1I120 L121 T191 E211 E218I120-R193 HydrophobicContact CG1-CB 4.39Å; L121-R193 PolarHBondContact N-O 3.17Å; T191-R193 PolarHBondContact O-N 2.61Å; R193-E211 VanDerWaalsContact CD-OE2 3.22Å; R193-E211 WeakPolarHBondContact CD-OE2 3.32Å; R193-E211 WeakPolarHBondContact CG-OE2 3.07Å; R193-E211 IonicContact NE-OE2 2.78Å; R193-E218 IonicContact CZ-OE2 3.23Å; R193-E218 IonicContact NH1-OE2 2.85Å; R193-E218 PolarHBondContact NH1-OE2 3.17Å; R193-E218 IonicContact NH2-OE2 2.76Å; R193-E218 PolarHBondContact NH2-OE2 2.96Å
194C92Very high89.8Confident19 Ų1956.3 Ų56.313%0.12833%0.33CS..EExtended strand (participates in β ladder)trans-135.9134.1178.7-176.80000112.3L121 L123 M138L121-C194 HydrophobicContact CB-CB 4.3Å; L121-C194 HydrophobicContact CD2-CB 4.38Å; L121-C194 WeakPolarHBondContact O-CA 3.12Å; L123-C194 VanDerWaalsContact CD1-SG 3.58Å; M138-C194 HydrophobicContact CE-CB 4.06Å
195C92.9Very high90.2Very high0 Ų054.8 Ų54.80%032%0.317CS..EExtended strand (participates in β ladder)trans-136.2140174.258.50000111.5L121 V122 L123 F208L121-C195 PolarHBondContact O-N 2.89Å; V122-C195 WeakPolarHBondContact CA-O 3.38Å; L123-C195 PolarHBondContact N-O 3.24Å; C195-F208 VanDerWaalsContact SG-CD2 3.5Å
196G94.4Very high90.5Very high14 Ų1460 Ų6014%0.14435%0.348CS..EExtended strand (participates in β ladder)trans-89132.1169.300000110.4L123 G204L123-G196 WeakPolarHBondContact O-CA 3.46Å; G196-G204 WeakPolarHBondContact O-CA 3.45Å
197I95.8Very high91Very high4 Ų459.8 Ų59.82%0.02134%0.343CS..EExtended strand (participates in β ladder)trans-137.6145-179.9-51.7175.7000109.5V122 L123 N124 K125 T126 E203 M205 F208V122-I197 HydrophobicContact CG1-CB 4.17Å; V122-I197 HydrophobicContact CG1-CD1 3.56Å; V122-I197 HydrophobicContact CG1-CG1 3.96Å; V122-I197 HydrophobicContact CG2-CD1 4.17Å; L123-I197 PolarHBondContact O-N 3.46Å; N124-I197 CarbonylContact C-O 3.43Å; N124-I197 VanDerWaalsContact CA-O 3.24Å; N124-I197 WeakPolarHBondContact CA-O 3.22Å; N124-I197 PolarHBondContact OD1-O 3.4Å; K125-I197 PolarHBondContact N-O 3.05Å; T126-I197 PolarHBondContact N-O 3.31Å; T126-I197 VanDerWaalsContact OG1-C 3.24Å; T126-I197 PolarHBondContact OG1-O 2.89Å; I197-E203 VanDerWaalsContact CA-O 3.3Å; I197-E203 WeakPolarHBondContact CA-O 3.36Å; I197-E203 WeakPolarHBondContact CG2-O 3.39Å; I197-M205 HydrophobicContact CG2-CE 3.93Å; I197-F208 HydrophobicContact CD1-CB 3.35Å; I197-F208 HydrophobicContact CD1-CD1 3.68Å; I197-F208 HydrophobicContact CD1-CD2 3.6Å; I197-F208 HydrophobicContact CD1-CE1 4.29Å; I197-F208 HydrophobicContact CD1-CE2 4.22Å; I197-F208 HydrophobicContact CD1-CG 3.25Å; I197-F208 HydrophobicContact CG1-CB 4.07Å; I197-F208 HydrophobicContact CG1-CG 4.44Å
198S95.4Very high91.5Very high0 Ų054.2 Ų54.20%032%0.317CS..  trans-105.9112.9158.6175.40000109.6T126 D127 I200 T201 G202 E203T126-S198 WeakPolarHBondContact OG1-CB 3.27Å; T126-S198 PolarHBondContact OG1-N 2.92Å; T126-S198 VanDerWaalsContact OG1-N 3.17Å; D127-S198 WeakPolarHBondContact CB-OG 3.19Å; D127-S198 VanDerWaalsContact CG-OG 3.23Å; D127-S198 WeakPolarHBondContact OD1-CB 3.5Å; D127-S198 PolarHBondContact OD1-OG 3.37Å; S198-I200 PolarHBondContact O-N 3.16Å; S198-I200 PolarHBondContact OG-N 3.49Å; S198-T201 WeakPolarHBondContact CB-OG1 3.48Å; S198-T201 PolarHBondContact OG-N 3.02Å; S198-T201 PolarHBondContact OG-OG1 2.95Å; S198-G202 VanDerWaalsContact O-CA 3.31Å; S198-G202 WeakPolarHBondContact O-CA 3.17Å; S198-G202 PolarHBondContact O-N 3.38Å; S198-E203 PolarHBondContact N-O 2.75Å
199S92Very high91.8Very high86 Ų8656.7 Ų56.760%0.60133%0.332SS*.THydrogen-bonded Turntrans-64-18.9175.7-59.70000113N124N124-S199 VanDerWaalsContact CG-OG 3.29Å; N124-S199 PolarHBondContact ND2-OG 3.4Å; N124-S199 VanDerWaalsContact ND2-OG 3.14Å; N124-S199 PolarHBondContact OD1-N 2.64Å; N124-S199 PolarHBondContact OD1-OG 3.08Å
200I92.7Very high92.2Very high143 Ų14361.1 Ų61.173%0.73335%0.354SS*.THydrogen-bonded Turntrans-92.8-42.3-177.7-140169.9000112D127 S198D127-I200 HydrophobicContact CB-CG2 4.45Å; S198-I200 PolarHBondContact O-N 3.16Å; S198-I200 PolarHBondContact OG-N 3.49Å
201T91.7Very high92.6Very high86 Ų8658 Ų5853%0.52833%0.328SS..THydrogen-bonded Turntrans-89.7-20.6-179.667.30000112.4D127 S198 E203D127-T201 HydrophobicContact CB-CG2 3.88Å; S198-T201 WeakPolarHBondContact CB-OG1 3.48Å; S198-T201 PolarHBondContact OG-N 3.02Å; S198-T201 PolarHBondContact OG-OG1 2.95Å; T201-E203 VanDerWaalsContact C-N 3.27Å; T201-E203 WeakPolarHBondContact OG1-CB 3.3Å; T201-E203 PolarHBondContact OG1-N 2.86Å
202G91.4Very high93.1Very high40 Ų4053.9 Ų53.941%0.41230%0.303SS..  trans80.56.2-173.800000113.8S198 M205S198-G202 VanDerWaalsContact O-CA 3.31Å; S198-G202 WeakPolarHBondContact O-CA 3.17Å; S198-G202 PolarHBondContact O-N 3.38Å; G202-M205 VanDerWaalsContact O-CB 3.28Å; G202-M205 WeakPolarHBondContact O-CB 3.39Å; G202-M205 PolarHBondContact O-N 2.79Å
203E92.5Very high93.4Very high119 Ų11956 Ų5656%0.55631%0.314SS*.THydrogen-bonded Turntrans-62.6141.6175.4-174.9174.6-173.500111.4I197 S198 T201 M205I197-E203 VanDerWaalsContact CA-O 3.3Å; I197-E203 WeakPolarHBondContact CA-O 3.36Å; I197-E203 WeakPolarHBondContact CG2-O 3.39Å; S198-E203 PolarHBondContact N-O 2.75Å; T201-E203 VanDerWaalsContact C-N 3.27Å; T201-E203 WeakPolarHBondContact OG1-CB 3.3Å; T201-E203 PolarHBondContact OG1-N 2.86Å; E203-M205 PolarHBondContact O-N 2.87Å
204G92.3Very high93.5Very high21 Ų2158.8 Ų58.822%0.21633%0.329CS..THydrogen-bonded Turntrans77.8-5.6-179.800000115.3G196 T206 K207 F208G196-G204 WeakPolarHBondContact O-CA 3.45Å; G204-T206 VanDerWaalsContact C-N 3.31Å; G204-T206 PolarHBondContact O-N 3.16Å; G204-K207 PolarHBondContact O-N 2.79Å; G204-F208 PolarHBondContact O-N 3.03Å
205M92.6Very high93.6Very high80 Ų8057.9 Ų57.939%0.39432%0.323SS..Hα-helixtrans-63.1-33.9-177.1-170.361.560.400113.2I197 G202 E203 F208 V209I197-M205 HydrophobicContact CG2-CE 3.93Å; G202-M205 VanDerWaalsContact O-CB 3.28Å; G202-M205 WeakPolarHBondContact O-CB 3.39Å; G202-M205 PolarHBondContact O-N 2.79Å; E203-M205 PolarHBondContact O-N 2.87Å; M205-F208 PolarHBondContact O-N 3.23Å; M205-F208 HydrophobicContact SD-CD1 3.7Å; M205-F208 HydrophobicContact SD-CE1 4.39Å; M205-V209 WeakPolarHBondContact O-CG2 3.37Å; M205-V209 PolarHBondContact O-N 3.06Å
206T94.4Very high93.6Very high110 Ų11062.5 Ų62.568%0.67534%0.343SS*.Hα-helixtrans-63.9-49.917852.70000111.2G204 F208 V209 E210G204-T206 VanDerWaalsContact C-N 3.31Å; G204-T206 PolarHBondContact O-N 3.16Å; T206-F208 VanDerWaalsContact C-N 3.28Å; T206-F208 PolarHBondContact O-N 3.05Å; T206-V209 PolarHBondContact O-N 3.34Å; T206-E210 WeakPolarHBondContact O-CG 3.27Å; T206-E210 PolarHBondContact O-N 3.11Å; T206-E210 VanDerWaalsContact O-N 3.08Å
207K93.2Very high93.5Very high84 Ų8468.7 Ų68.737%0.36537%0.368SS..Hα-helixtrans-59.9-41176-173.9-178.9178.3-172.30110.9G204 V209 E210 E211G204-K207 PolarHBondContact O-N 2.79Å; K207-V209 VanDerWaalsContact C-N 3.35Å; K207-V209 PolarHBondContact O-N 2.88Å; K207-E210 WeakPolarHBondContact O-CB 3.44Å; K207-E210 PolarHBondContact O-N 3.19Å; K207-E211 HydrophobicContact CG-CG 4.47Å; K207-E211 VanDerWaalsContact O-CG 3.27Å; K207-E211 WeakPolarHBondContact O-CG 3.41Å; K207-E211 PolarHBondContact O-N 3.16Å
208F95.4Very high93.2Very high26 Ų2671.3 Ų71.311%0.11438%0.38CS..Hα-helixtrans-61.2-40.9176.8175-122.4000113.6I87 I120 V122 C195 I197 G204 M205 T206 E210 E211 I212I87-F208 HydrophobicContact CD1-CE2 4.34Å; I87-F208 HydrophobicContact CD1-CZ 3.71Å; I87-F208 HydrophobicContact CG1-CE2 4.24Å; I87-F208 HydrophobicContact CG1-CZ 4.1Å; I87-F208 HydrophobicContact CG2-CE2 4.39Å; I87-F208 HydrophobicContact CG2-CZ 4.36Å; I120-F208 HydrophobicContact CG2-CD2 4.46Å; I120-F208 HydrophobicContact CG2-CE2 4.3Å; V122-F208 HydrophobicContact CG2-CD2 3.94Å; V122-F208 HydrophobicContact CG2-CE2 3.52Å; V122-F208 HydrophobicContact CG2-CZ 4.27Å; C195-F208 VanDerWaalsContact SG-CD2 3.5Å; I197-F208 HydrophobicContact CD1-CB 3.35Å; I197-F208 HydrophobicContact CD1-CD1 3.68Å; I197-F208 HydrophobicContact CD1-CD2 3.6Å; I197-F208 HydrophobicContact CD1-CE1 4.29Å; I197-F208 HydrophobicContact CD1-CE2 4.22Å; I197-F208 HydrophobicContact CD1-CG 3.25Å; I197-F208 HydrophobicContact CG1-CB 4.07Å; I197-F208 HydrophobicContact CG1-CG 4.44Å; G204-F208 PolarHBondContact O-N 3.03Å; M205-F208 PolarHBondContact O-N 3.23Å; M205-F208 HydrophobicContact SD-CD1 3.7Å; M205-F208 HydrophobicContact SD-CE1 4.39Å; T206-F208 VanDerWaalsContact C-N 3.28Å; T206-F208 PolarHBondContact O-N 3.05Å; F208-E210 VanDerWaalsContact C-N 3.33Å; F208-E211 PolarHBondContact O-N 3.12Å; F208-I212 HydrophobicContact CD1-CD1 3.81Å; F208-I212 HydrophobicContact CD2-CD1 4.2Å; F208-I212 HydrophobicContact CD2-CG1 4.41Å; F208-I212 HydrophobicContact CE1-CD1 3.43Å; F208-I212 VanDerWaalsContact CE1-CD1 3.43Å; F208-I212 HydrophobicContact CE2-CD1 3.86Å; F208-I212 HydrophobicContact CE2-CG1 4.11Å; F208-I212 HydrophobicContact CG-CD1 4.22Å; F208-I212 HydrophobicContact CZ-CD1 3.48Å; F208-I212 VanDerWaalsContact CZ-CD1 3.48Å; F208-I212 HydrophobicContact CZ-CG1 4.2Å; F208-I212 WeakPolarHBondContact O-CG1 3.41Å; F208-I212 PolarHBondContact O-N 3.39Å
209V94.4Very high93Very high57 Ų5771.7 Ų71.735%0.34538%0.382SS..Hα-helixtrans-65.7-38.6176173.40000111M205 T206 K207 I212 D213M205-V209 WeakPolarHBondContact O-CG2 3.37Å; M205-V209 PolarHBondContact O-N 3.06Å; T206-V209 PolarHBondContact O-N 3.34Å; K207-V209 VanDerWaalsContact C-N 3.35Å; K207-V209 PolarHBondContact O-N 2.88Å; V209-I212 WeakPolarHBondContact O-CB 3.49Å; V209-I212 PolarHBondContact O-N 2.86Å; V209-D213 PolarHBondContact O-N 2.99Å
210E95.1Very high92.9Very high120 Ų12072.4 Ų72.456%0.56137%0.374SS*.Hα-helixtrans-60.4-47.5173.7-67.8167-177.900111.4T206 K207 F208 I212 D213 E214T206-E210 WeakPolarHBondContact O-CG 3.27Å; T206-E210 PolarHBondContact O-N 3.11Å; T206-E210 VanDerWaalsContact O-N 3.08Å; K207-E210 WeakPolarHBondContact O-CB 3.44Å; K207-E210 PolarHBondContact O-N 3.19Å; F208-E210 VanDerWaalsContact C-N 3.33Å; E210-I212 VanDerWaalsContact C-N 3.28Å; E210-I212 PolarHBondContact O-N 3.49Å; E210-D213 PolarHBondContact O-N 3.03Å; E210-D213 VanDerWaalsContact O-N 3.12Å; E210-E214 PolarHBondContact O-N 3.41Å
211E94.3Very high92.7Very high32 Ų3273.7 Ų73.715%0.1537%0.374CS..Hα-helixtrans-63.2-32.6176.9-62.7-76.2167.200112.5I120 R193 K207 F208 A215I120-E211 HydrophobicContact CD1-CB 4.35Å; R193-E211 VanDerWaalsContact CD-OE2 3.22Å; R193-E211 WeakPolarHBondContact CD-OE2 3.32Å; R193-E211 WeakPolarHBondContact CG-OE2 3.07Å; R193-E211 IonicContact NE-OE2 2.78Å; K207-E211 HydrophobicContact CG-CG 4.47Å; K207-E211 VanDerWaalsContact O-CG 3.27Å; K207-E211 WeakPolarHBondContact O-CG 3.41Å; K207-E211 PolarHBondContact O-N 3.16Å; F208-E211 PolarHBondContact O-N 3.12Å; E211-A215 VanDerWaalsContact O-CB 3.22Å; E211-A215 WeakPolarHBondContact O-CB 3.05Å; E211-A215 PolarHBondContact O-N 2.91Å
212I94.7Very high92.4Very high21 Ų2174.2 Ų74.211%0.10837%0.373CS..Hα-helixtrans-64.6-45.2172.7-78165000111Y53 L85 I120 F208 V209 E210 A215 K216Y53-I212 HydrophobicContact CE1-CG2 4Å; L85-I212 HydrophobicContact CD2-CB 4.39Å; L85-I212 HydrophobicContact CD2-CG1 4.29Å; L85-I212 HydrophobicContact CD2-CG2 3.98Å; I120-I212 HydrophobicContact CD1-CG1 3.93Å; F208-I212 HydrophobicContact CD1-CD1 3.81Å; F208-I212 HydrophobicContact CD2-CD1 4.2Å; F208-I212 HydrophobicContact CD2-CG1 4.41Å; F208-I212 HydrophobicContact CE1-CD1 3.43Å; F208-I212 VanDerWaalsContact CE1-CD1 3.43Å; F208-I212 HydrophobicContact CE2-CD1 3.86Å; F208-I212 HydrophobicContact CE2-CG1 4.11Å; F208-I212 HydrophobicContact CG-CD1 4.22Å; F208-I212 HydrophobicContact CZ-CD1 3.48Å; F208-I212 VanDerWaalsContact CZ-CD1 3.48Å; F208-I212 HydrophobicContact CZ-CG1 4.2Å; F208-I212 WeakPolarHBondContact O-CG1 3.41Å; F208-I212 PolarHBondContact O-N 3.39Å; V209-I212 WeakPolarHBondContact O-CB 3.49Å; V209-I212 PolarHBondContact O-N 2.86Å; E210-I212 VanDerWaalsContact C-N 3.28Å; E210-I212 PolarHBondContact O-N 3.49Å; I212-A215 PolarHBondContact O-N 3.42Å; I212-K216 WeakPolarHBondContact O-CB 3.38Å; I212-K216 PolarHBondContact O-N 3.04Å
213D93.8Very high92.1Very high69 Ų6973 Ų7337%0.36936%0.357SS..Hα-helixtrans-66.2-40.4-179.2-74.4-24.9000110.7V209 E210 K216 E217V209-D213 PolarHBondContact O-N 2.99Å; E210-D213 PolarHBondContact O-N 3.03Å; E210-D213 VanDerWaalsContact O-N 3.12Å; D213-K216 WeakPolarHBondContact O-CB 3.47Å; D213-K216 PolarHBondContact O-N 2.84Å; D213-E217 PolarHBondContact O-N 3.16Å; D213-E217 VanDerWaalsContact O-N 3.11Å
214E93.5Very high91.7Very high103 Ų10369.5 Ų69.548%0.48134%0.342SS..Hα-helixtrans-64.2-43.3172.4-69-172.7-171.400112.8E210 K216 E217 E218E210-E214 PolarHBondContact O-N 3.41Å; E214-K216 PolarHBondContact O-N 3.41Å; E214-E217 WeakPolarHBondContact O-CB 3.36Å; E214-E217 PolarHBondContact O-N 2.93Å; E214-E217 VanDerWaalsContact O-N 3.14Å; E214-E218 PolarHBondContact O-N 2.91Å
215A93Very high91.4Very high0 Ų071.5 Ų71.50%035%0.351CS..Hα-helixtrans-64.8-30.7176.700000112.5L85 P118 I120 E211 I212 E218 Y219L85-A215 HydrophobicContact CD2-CB 4.17Å; P118-A215 HydrophobicContact CB-CB 4.03Å; P118-A215 WeakPolarHBondContact CG-O 3.31Å; I120-A215 HydrophobicContact CD1-CB 3.83Å; I120-A215 HydrophobicContact CG1-CB 4.17Å; E211-A215 VanDerWaalsContact O-CB 3.22Å; E211-A215 WeakPolarHBondContact O-CB 3.05Å; E211-A215 PolarHBondContact O-N 2.91Å; I212-A215 PolarHBondContact O-N 3.42Å; A215-E218 WeakPolarHBondContact O-CB 3.46Å; A215-E218 PolarHBondContact O-N 2.99Å; A215-Y219 PolarHBondContact O-N 3.49Å
216K92.6Very high91Very high97 Ų9770.7 Ų70.742%0.42235%0.353SS..Hα-helixtrans-67.7-40.6172.2177.5-175.8175-173.90111.4P83 I212 D213 E214 E218 Y219 F220P83-K216 HydrophobicContact CB-CG 4.23Å; I212-K216 WeakPolarHBondContact O-CB 3.38Å; I212-K216 PolarHBondContact O-N 3.04Å; D213-K216 WeakPolarHBondContact O-CB 3.47Å; D213-K216 PolarHBondContact O-N 2.84Å; E214-K216 PolarHBondContact O-N 3.41Å; K216-E218 VanDerWaalsContact C-N 3.32Å; K216-Y219 WeakPolarHBondContact O-CB 3.46Å; K216-Y219 PolarHBondContact O-N 3.48Å; K216-F220 HydrophobicContact CD-CE2 4.48Å; K216-F220 HydrophobicContact CG-CD2 4.21Å; K216-F220 HydrophobicContact CG-CE2 3.81Å; K216-F220 WeakPolarHBondContact O-CD2 3.25Å; K216-F220 PolarHBondContact O-N 3.35Å
217E92.5Very high90.3Very high144 Ų14467 Ų6767%0.67333%0.329SS*.Hα-helixtrans-62.8-40.8173.5-68.1-172.7173.600111.7D213 E214 Y219 F220 K221D213-E217 PolarHBondContact O-N 3.16Å; D213-E217 VanDerWaalsContact O-N 3.11Å; E214-E217 WeakPolarHBondContact O-CB 3.36Å; E214-E217 PolarHBondContact O-N 2.93Å; E214-E217 VanDerWaalsContact O-N 3.14Å; E217-Y219 VanDerWaalsContact C-N 3.34Å; E217-Y219 PolarHBondContact O-N 2.87Å; E217-F220 PolarHBondContact O-N 3.28Å; E217-K221 WeakPolarHBondContact O-CB 3.27Å; E217-K221 PolarHBondContact O-N 3.04Å
218E90.4Very high89.8Confident59 Ų5969 Ų6928%0.27634%0.335SS..Hα-helixtrans-59-44.6173.8-174.2-178.5140.500112.2R193 E214 A215 K216 F220 K221 I222R193-E218 IonicContact CZ-OE2 3.23Å; R193-E218 IonicContact NH1-OE2 2.85Å; R193-E218 PolarHBondContact NH1-OE2 3.17Å; R193-E218 IonicContact NH2-OE2 2.76Å; R193-E218 PolarHBondContact NH2-OE2 2.96Å; E214-E218 PolarHBondContact O-N 2.91Å; A215-E218 WeakPolarHBondContact O-CB 3.46Å; A215-E218 PolarHBondContact O-N 2.99Å; K216-E218 VanDerWaalsContact C-N 3.32Å; E218-F220 VanDerWaalsContact C-N 3.28Å; E218-F220 PolarHBondContact O-N 3.44Å; E218-K221 PolarHBondContact O-N 3.38Å; E218-K221 VanDerWaalsContact O-N 3.1Å; E218-I222 HydrophobicContact CG-CB 4.37Å; E218-I222 HydrophobicContact CG-CD1 3.81Å; E218-I222 HydrophobicContact CG-CG1 4.17Å; E218-I222 PolarHBondContact O-N 3.35Å
219Y90.4Very high89.3Confident9 Ų969.9 Ų69.94%0.03535%0.347CS..Iπ-helixtrans-52.5-48176.1172.2-90000111.6G79 F82 P83 L117 P118 A215 K216 E217 K221 N223 L224G79-Y219 WeakPolarHBondContact O-CE2 2.96Å; G79-Y219 PolarHBondContact O-OH 3.16Å; F82-Y219 PolarHBondContact O-OH 2.86Å; F82-Y219 VanDerWaalsContact O-OH 3.12Å; P83-Y219 VanDerWaalsContact CA-CE1 3.44Å; P83-Y219 HydrophobicContact CB-CD1 3.72Å; P83-Y219 HydrophobicContact CB-CE1 3.93Å; P83-Y219 HydrophobicContact CB-CG 4.26Å; P83-Y219 HydrophobicContact CG-CD1 4.2Å; P83-Y219 HydrophobicContact CG-CE1 4.08Å; L117-Y219 HydrophobicContact CD2-CE2 4.47Å; P118-Y219 HydrophobicContact CG-CD2 4.45Å; A215-Y219 PolarHBondContact O-N 3.49Å; K216-Y219 WeakPolarHBondContact O-CB 3.46Å; K216-Y219 PolarHBondContact O-N 3.48Å; E217-Y219 VanDerWaalsContact C-N 3.34Å; E217-Y219 PolarHBondContact O-N 2.87Å; Y219-K221 VanDerWaalsContact C-N 3.34Å; Y219-K221 PolarHBondContact O-N 3.23Å; Y219-N223 HydrophobicContact CD2-CB 4.03Å; Y219-N223 HydrophobicContact CE2-CB 4.5Å; Y219-N223 PolarHBondContact O-N 3.12Å; Y219-L224 HydrophobicContact CE1-CB 4.27Å; Y219-L224 HydrophobicContact CE1-CD1 4.26Å; Y219-L224 WeakPolarHBondContact O-CB 3.45Å; Y219-L224 PolarHBondContact O-N 3.18Å
220F89.4Confident88.7Confident100 Ų10071.9 Ų71.944%0.43935%0.351SS..Iπ-helixtrans-69.2-33-179.1-74.5-68.5000112.9P83 K216 E217 E218 L224 P225P83-F220 HydrophobicContact CB-CE2 4.22Å; P83-F220 HydrophobicContact CB-CZ 4.16Å; P83-F220 HydrophobicContact CG-CE1 4.02Å; P83-F220 HydrophobicContact CG-CE2 3.82Å; P83-F220 HydrophobicContact CG-CZ 3.31Å; K216-F220 HydrophobicContact CD-CE2 4.48Å; K216-F220 HydrophobicContact CG-CD2 4.21Å; K216-F220 HydrophobicContact CG-CE2 3.81Å; K216-F220 WeakPolarHBondContact O-CD2 3.25Å; K216-F220 PolarHBondContact O-N 3.35Å; E217-F220 PolarHBondContact O-N 3.28Å; E218-F220 VanDerWaalsContact C-N 3.28Å; E218-F220 PolarHBondContact O-N 3.44Å; F220-L224 HydrophobicContact CD1-CD1 3.97Å; F220-L224 HydrophobicContact CE1-CD1 4.41Å; F220-P225 WeakPolarHBondContact O-CD 3.48Å
221K89.2Confident88Confident171 Ų17169.2 Ų69.274%0.74334%0.339SS*.Iπ-helixtrans-84.3-38.1-175-172.8-178.8178.2-174.90113.4E217 E218 Y219 P225E217-K221 WeakPolarHBondContact O-CB 3.27Å; E217-K221 PolarHBondContact O-N 3.04Å; E218-K221 PolarHBondContact O-N 3.38Å; E218-K221 VanDerWaalsContact O-N 3.1Å; Y219-K221 VanDerWaalsContact C-N 3.34Å; Y219-K221 PolarHBondContact O-N 3.23Å; K221-P225 WeakPolarHBondContact O-CG 3.08Å
222I86.4Confident87.4Confident97 Ų9773.3 Ų73.350%0.49736%0.358SS..Iπ-helixtrans-112.9-55.8-169.8-55.4-173.7000110.9E218 S226E218-I222 HydrophobicContact CG-CB 4.37Å; E218-I222 HydrophobicContact CG-CD1 3.81Å; E218-I222 HydrophobicContact CG-CG1 4.17Å; E218-I222 PolarHBondContact O-N 3.35Å; I222-S226 WeakPolarHBondContact O-CB 3.14Å; I222-S226 PolarHBondContact O-N 3.2Å; I222-S226 PolarHBondContact O-OG 3.13Å
223N84.7Confident86.8Confident13 Ų1379.3 Ų79.37%0.0738%0.383CS..Iπ-helixtrans-73.6-43.5-170.5-56.669.6000112.3Q116 L117 Y219 S226 L227Q116-N223 PolarHBondContact O-ND2 3.03Å; L117-N223 WeakPolarHBondContact CA-ND2 3.42Å; Y219-N223 HydrophobicContact CD2-CB 4.03Å; Y219-N223 HydrophobicContact CE2-CB 4.5Å; Y219-N223 PolarHBondContact O-N 3.12Å; N223-S226 WeakPolarHBondContact CA-OG 3.47Å; N223-S226 PolarHBondContact O-N 3.42Å; N223-S226 PolarHBondContact O-OG 3.33Å; N223-L227 WeakPolarHBondContact O-CB 3.45Å; N223-L227 WeakPolarHBondContact O-CG 3.38Å; N223-L227 PolarHBondContact O-N 3.13Å
224L83.9Confident86.1Confident47 Ų4780.3 Ų80.325%0.24639%0.389CS..Hα-helixtrans-62-46.4-179.4176.4156.9000112.1Y219 F220 S226 L227 Y228Y219-L224 HydrophobicContact CE1-CB 4.27Å; Y219-L224 HydrophobicContact CE1-CD1 4.26Å; Y219-L224 WeakPolarHBondContact O-CB 3.45Å; Y219-L224 PolarHBondContact O-N 3.18Å; F220-L224 HydrophobicContact CD1-CD1 3.97Å; F220-L224 HydrophobicContact CE1-CD1 4.41Å; L224-S226 PolarHBondContact O-N 3.25Å; L224-L227 PolarHBondContact O-N 3.27Å; L224-Y228 HydrophobicContact CD1-CE2 4.39Å; L224-Y228 HydrophobicContact CD2-CD2 3.66Å; L224-Y228 HydrophobicContact CD2-CE2 3.42Å; L224-Y228 VanDerWaalsContact CD2-CE2 3.42Å; L224-Y228 HydrophobicContact CG-CD2 4.09Å; L224-Y228 HydrophobicContact CG-CE2 3.67Å; L224-Y228 WeakPolarHBondContact O-CD2 3.28Å; L224-Y228 PolarHBondContact O-N 2.88Å; L224-Y228 VanDerWaalsContact O-N 3.12Å
225P85.8Confident85.4Confident62 Ų6283 Ų8340%0.40340%0.399SS..Hα-helixtrans-62.9-39.3172.9-26.937.2000113.9F220 K221 L227 Y228 A229F220-P225 WeakPolarHBondContact O-CD 3.48Å; K221-P225 WeakPolarHBondContact O-CG 3.08Å; P225-L227 VanDerWaalsContact C-N 3.32Å; P225-L227 PolarHBondContact O-N 3.36Å; P225-Y228 PolarHBondContact O-N 3.47Å; P225-A229 WeakPolarHBondContact O-CB 3.29Å; P225-A229 PolarHBondContact O-N 3.41Å
226S83.2Confident84.6Confident63 Ų6389.8 Ų89.844%0.44143%0.431SS..Hα-helixtrans-67.2-34.2179.571.50000112.1I222 N223 L224 K230I222-S226 WeakPolarHBondContact O-CB 3.14Å; I222-S226 PolarHBondContact O-N 3.2Å; I222-S226 PolarHBondContact O-OG 3.13Å; N223-S226 WeakPolarHBondContact CA-OG 3.47Å; N223-S226 PolarHBondContact O-N 3.42Å; N223-S226 PolarHBondContact O-OG 3.33Å; L224-S226 PolarHBondContact O-N 3.25Å; S226-K230 WeakPolarHBondContact O-CB 3.28Å; S226-K230 PolarHBondContact O-N 3.12Å
227L80.1Confident83.4Confident34 Ų3490 Ų9018%0.17844%0.436CS..Hα-helixtrans-64.5-47.9171.9-71.5171.2000111.8G79 N223 L224 P225 A229 K230 Q231G79-L227 VanDerWaalsContact O-CD1 3.31Å; G79-L227 WeakPolarHBondContact O-CD1 3.36Å; N223-L227 WeakPolarHBondContact O-CB 3.45Å; N223-L227 WeakPolarHBondContact O-CG 3.38Å; N223-L227 PolarHBondContact O-N 3.13Å; L224-L227 PolarHBondContact O-N 3.27Å; P225-L227 VanDerWaalsContact C-N 3.32Å; P225-L227 PolarHBondContact O-N 3.36Å; L227-A229 PolarHBondContact O-N 3.27Å; L227-K230 WeakPolarHBondContact O-CB 3.08Å; L227-K230 PolarHBondContact O-N 3.36Å; L227-Q231 WeakPolarHBondContact O-CG 3.44Å; L227-Q231 PolarHBondContact O-N 3.41Å
228Y83.8Confident81.7Confident125 Ų12587 Ų8749%0.4943%0.429SS..Hα-helixtrans-62.6-42.2176.4-75.1-58.4000112.2L224 P225 K230 Q231 E232L224-Y228 HydrophobicContact CD1-CE2 4.39Å; L224-Y228 HydrophobicContact CD2-CD2 3.66Å; L224-Y228 HydrophobicContact CD2-CE2 3.42Å; L224-Y228 VanDerWaalsContact CD2-CE2 3.42Å; L224-Y228 HydrophobicContact CG-CD2 4.09Å; L224-Y228 HydrophobicContact CG-CE2 3.67Å; L224-Y228 WeakPolarHBondContact O-CD2 3.28Å; L224-Y228 PolarHBondContact O-N 2.88Å; L224-Y228 VanDerWaalsContact O-N 3.12Å; P225-Y228 PolarHBondContact O-N 3.47Å; Y228-K230 VanDerWaalsContact C-N 3.3Å; Y228-K230 PolarHBondContact O-N 3.45Å; Y228-Q231 WeakPolarHBondContact O-CB 3.34Å; Y228-Q231 PolarHBondContact O-N 3.35Å; Y228-Q231 VanDerWaalsContact O-N 3.13Å; Y228-E232 WeakPolarHBondContact O-CG 3.27Å; Y228-E232 PolarHBondContact O-N 3.49Å
229A84.3Confident79.9Confident44 Ų4487.5 Ų87.536%0.36444%0.439SS..Hα-helixtrans-60.6-39.1175.900000112.2P225 L227 E232 K233P225-A229 WeakPolarHBondContact O-CB 3.29Å; P225-A229 PolarHBondContact O-N 3.41Å; L227-A229 PolarHBondContact O-N 3.27Å; A229-E232 PolarHBondContact O-N 3.23Å; A229-K233 WeakPolarHBondContact O-CG 3.48Å; A229-K233 PolarHBondContact O-N 3.17Å
230K82.6Confident78Confident100 Ų10092.3 Ų92.344%0.43547%0.465SS..Hα-helixtrans-65.2-40.5174.5-169.1177.4-176.9-179.40111.6S226 L227 Y228 N234S226-K230 WeakPolarHBondContact O-CB 3.28Å; S226-K230 PolarHBondContact O-N 3.12Å; L227-K230 WeakPolarHBondContact O-CB 3.08Å; L227-K230 PolarHBondContact O-N 3.36Å; Y228-K230 VanDerWaalsContact C-N 3.3Å; Y228-K230 PolarHBondContact O-N 3.45Å; K230-N234 WeakPolarHBondContact O-CB 3.39Å; K230-N234 PolarHBondContact O-N 3.46Å; K230-N234 PolarHBondContact O-ND2 3.37Å
231Q79.1Confident76Confident64 Ų6495.2 Ų95.230%0.29948%0.478SS..Hα-helixtrans-65.3-40.5175.5-69.3176.915.800112.3L227 Y228 N234 K235L227-Q231 WeakPolarHBondContact O-CG 3.44Å; L227-Q231 PolarHBondContact O-N 3.41Å; Y228-Q231 WeakPolarHBondContact O-CB 3.34Å; Y228-Q231 PolarHBondContact O-N 3.35Å; Y228-Q231 VanDerWaalsContact O-N 3.13Å; Q231-N234 PolarHBondContact O-N 3.46Å; Q231-K235 WeakPolarHBondContact O-CG 3.49Å; Q231-K235 PolarHBondContact O-N 3.46Å
232E81.5Confident73.7Confident117 Ų11791 Ų9155%0.54747%0.47SS..Hα-helixtrans-65.7-43.9176.9-71.9-172.5162.400112.1Y228 A229 N234 K235 Q236Y228-E232 WeakPolarHBondContact O-CG 3.27Å; Y228-E232 PolarHBondContact O-N 3.49Å; A229-E232 PolarHBondContact O-N 3.23Å; E232-N234 VanDerWaalsContact C-N 3.29Å; E232-N234 PolarHBondContact O-N 2.9Å; E232-K235 WeakPolarHBondContact O-CB 3.44Å; E232-K235 PolarHBondContact O-N 3.31Å; E232-Q236 WeakPolarHBondContact O-CG 3.13Å; E232-Q236 PolarHBondContact O-N 3.04Å
233K82.5Confident71.1Confident147 Ų14790.2 Ų90.264%0.63947%0.473SS*.Hα-helixtrans-58-42.4173-73.6-179.8179.7-175.40111.8A229 K235 Q236 N237A229-K233 WeakPolarHBondContact O-CG 3.48Å; A229-K233 PolarHBondContact O-N 3.17Å; K233-K235 VanDerWaalsContact C-N 3.28Å; K233-K235 PolarHBondContact O-N 2.91Å; K233-Q236 PolarHBondContact O-N 3.47Å; K233-N237 PolarHBondContact O-N 3.41Å
234N80.1Confident68.8Low91 Ų9197.4 Ų97.449%0.48750%0.504SS..Hα-helixtrans-66.6-27.9176.6-71.3-13.7000113.2K230 Q231 E232K230-N234 WeakPolarHBondContact O-CB 3.39Å; K230-N234 PolarHBondContact O-N 3.46Å; K230-N234 PolarHBondContact O-ND2 3.37Å; Q231-N234 PolarHBondContact O-N 3.46Å; E232-N234 VanDerWaalsContact C-N 3.29Å; E232-N234 PolarHBondContact O-N 2.9Å
235K78.3Confident66.3Low158 Ų15899 Ų9969%0.68752%0.519SS*.Hα-helixtrans-78.2-32.5173.8-72.5173.1-176.3177.20112.4Q231 E232 K233Q231-K235 WeakPolarHBondContact O-CG 3.49Å; Q231-K235 PolarHBondContact O-N 3.46Å; E232-K235 WeakPolarHBondContact O-CB 3.44Å; E232-K235 PolarHBondContact O-N 3.31Å; K233-K235 VanDerWaalsContact C-N 3.28Å; K233-K235 PolarHBondContact O-N 2.91Å
236Q75.9Confident63.8Low144 Ų144105.1 Ų105.167%0.67354%0.542SS*.Hα-helixtrans-76.8-29.2178.5-70.7175.59.900112.6E232 K233 P238E232-Q236 WeakPolarHBondContact O-CG 3.13Å; E232-Q236 PolarHBondContact O-N 3.04Å; K233-Q236 PolarHBondContact O-N 3.47Å; Q236-P238 WeakPolarHBondContact O-CD 3.33Å
237N68.1Low61.1Low100 Ų100107.6 Ų107.654%0.53556%0.559SS.*  trans-111.868.3175.2-67.4-8.1000112.5K233 S239K233-N237 PolarHBondContact O-N 3.41Å; N237-S239 PolarHBondContact O-N 3.23Å
238P56Low58.6Low82 Ų82111 Ų11153%0.53259%0.586SS.*THydrogen-bonded Turntrans-73.2-17.8173.228.8-31.2000112.8Q236 D240 K241Q236-P238 WeakPolarHBondContact O-CD 3.33Å; P238-D240 VanDerWaalsContact C-N 3.26Å; P238-D240 PolarHBondContact O-N 3.37Å; P238-K241 PolarHBondContact O-N 3.35Å
239S51.8Low56Low69 Ų69114.1 Ų114.148%0.48360%0.602SS.*Hα-helixtrans-64-23.1-174.347.50000114.7N237 K241 S243N237-S239 PolarHBondContact O-N 3.23Å; S239-K241 VanDerWaalsContact C-N 3.29Å; S239-K241 PolarHBondContact O-N 2.64Å; S239-S243 PolarHBondContact O-N 3.26Å; S239-S243 PolarHBondContact O-OG 2.83Å
240D51.6Low53.4Low110 Ų110121.2 Ų121.259%0.58863%0.627SS**Hα-helixtrans-79.6-10.9-179.7-68-19.9000113.5P238P238-D240 VanDerWaalsContact C-N 3.26Å; P238-D240 PolarHBondContact O-N 3.37Å
241K48.1Very low50.8Low161 Ų161119.3 Ų119.370%0.764%0.636SS**Hα-helixtrans-96.2-25.1176.8-69.3-173.7-180178.80113.6P238 S239P238-K241 PolarHBondContact O-N 3.35Å; S239-K241 VanDerWaalsContact C-N 3.29Å; S239-K241 PolarHBondContact O-N 2.64Å
242S39.2Very low48.7Very low84 Ų84122.9 Ų122.959%0.58767%0.665SS**Hα-helixtrans-97.2-19.5-177.8570000114.6S245S242-S245 PolarHBondContact O-OG 2.84Å
243S32.8Very low46.4Very low79 Ų79124.6 Ų124.655%0.55268%0.675SS**THydrogen-bonded Turntrans-83.6-13.3-178.154.70000114.3S239 S245S239-S243 PolarHBondContact O-N 3.26Å; S239-S243 PolarHBondContact O-OG 2.83Å; S243-S245 VanDerWaalsContact C-N 3.31Å; S243-S245 PolarHBondContact O-N 3.4Å
244K36.2Very low44.1Very low164 Ų164125.7 Ų125.771%0.71369%0.687SS**THydrogen-bonded Turntrans-84.42.3174.1-80.6-177.6177.2176.80114.8
245S31.6Very low42.4Very low81 Ų81126.5 Ų126.557%0.56669%0.691SS**SBendtrans-115.254.4175.163.10000111.9S242 S243S242-S245 PolarHBondContact O-OG 2.84Å; S243-S245 VanDerWaalsContact C-N 3.31Å; S243-S245 PolarHBondContact O-N 3.4Å
246H32.4Very low40.1Very low191 Ų191125 Ų12588%0.88469%0.69SS**SBendtrans172.975.2149.2-90.5-29.8000110.2
247S26.6Very low38.4Very low115 Ų115125.7 Ų125.780%0.80470%0.697SS**  trans-144.2126.3146.3640000109.6
248S27.9Very low36.8Very low106 Ų106125.1 Ų125.174%0.74171%0.707SS**  trans-67.1144.5-176.846.60000113.5
249K28.5Very low35.6Very low189 Ų189123.9 Ų123.982%0.82271%0.708SS**  trans52.598.9144.8-64.5-178.8176.8-177.90117.9
250H30Very low35Very low193 Ų193128.1 Ų128.189%0.89473%0.726SS**  157.2133.3122.8-99.9-77.8000111.1
251G28.9Very low34.2Very low61 Ų61129.8 Ų129.863%0.62974%0.735SS**  trans83.6133.5158.900000116.5M253G251-M253 PolarHBondContact O-N 2.97Å; G251-M253 VanDerWaalsContact O-N 3.15Å
252P35.6Very low33.9Very low138 Ų138129.5 Ų129.590%0.89674%0.741SS**  trans-71.6109.4176.629.3-29.9000109.4L254P252-L254 PolarHBondContact O-N 3.22Å; P252-L254 VanDerWaalsContact O-N 3.16Å
253M32.7Very low33.6Very low154 Ų154132.2 Ų132.276%0.75974%0.744SS**  trans-71.7103.5177.7-171.5-177.6-175.500109.3G251 L255G251-M253 PolarHBondContact O-N 2.97Å; G251-M253 VanDerWaalsContact O-N 3.15Å; M253-L255 PolarHBondContact O-N 2.82Å
254L34.5Very low34.3Very low169 Ų169132.8 Ų132.889%0.88575%0.754SS**  trans-66.2116.2161.9-154.899.4000106.6P252 D256P252-L254 PolarHBondContact O-N 3.22Å; P252-L254 VanDerWaalsContact O-N 3.16Å; L254-D256 PolarHBondContact O-N 3.34Å; L254-D256 VanDerWaalsContact O-N 3.16Å
255L43.1Very low34.4Very low109 Ų109133.6 Ų133.657%0.57176%0.76SS**  trans-74.2104.7-173.9-168.174.1000109.1M253 L257M253-L255 PolarHBondContact O-N 2.82Å; L255-L257 PolarHBondContact O-N 3.12Å
256D31Very low34.5Very low126 Ų126136 Ų13667%0.67477%0.767SS**  trans-58.5126.1174.4-170.3-0.9000110.2L254 A258L254-D256 PolarHBondContact O-N 3.34Å; L254-D256 VanDerWaalsContact O-N 3.16Å; D256-A258 PolarHBondContact OD1-N 3.38Å
257L39.3Very low34.7Very low158 Ų158133 Ų13383%0.82776%0.757SS**  trans-111.527.4-171.1-138.495.7000112.1L255L255-L257 PolarHBondContact O-N 3.12Å
258A34.3Very low35.4Very low89 Ų89132.9 Ų132.974%0.73675%0.754SS**SBendtrans-170.699.916100000113.5D256D256-A258 PolarHBondContact OD1-N 3.38Å
259G31Very low35.8Very low55 Ų55135.3 Ų135.357%0.56776%0.758SS**  trans115.4136.2164.200000113.4D261G259-D261 VanDerWaalsContact C-N 3.27Å; G259-D261 PolarHBondContact O-N 3.12Å
260N39.9Very low36.2Very low158 Ų158131.7 Ų131.785%0.84575%0.753SS**SBendtrans-89.333.4-176.4-85.512000113
261D34.3Very low36.3Very low146 Ų146129.5 Ų129.578%0.78175%0.748SS**  trans-108.593.2-177.4-71.4-29.2000110.2G259 E263G259-D261 VanDerWaalsContact C-N 3.27Å; G259-D261 PolarHBondContact O-N 3.12Å; D261-E263 PolarHBondContact O-N 3.27Å
262D41.8Very low36.5Very low155 Ų155133.4 Ų133.483%0.82976%0.76SS**  trans-71.729.3-173.9-62.7-25.4000115A264D262-A264 VanDerWaalsContact C-N 3.28Å; D262-A264 PolarHBondContact O-N 3.19Å
263E34.3Very low36.4Very low140 Ų140134 Ų13465%0.65476%0.755SS**  trans-85.863.7-175.7-66.8-72.8153.300111.9D261 E265D261-E263 PolarHBondContact O-N 3.27Å; E263-E265 PolarHBondContact O-N 3.14Å; E263-E265 VanDerWaalsContact O-N 3.08Å
264A47.2Very low36.5Very low91 Ų91129.7 Ų129.775%0.75275%0.75SS**G310 helixtrans-65.6-4.5178.900000114.7D262D262-A264 VanDerWaalsContact C-N 3.28Å; D262-A264 PolarHBondContact O-N 3.19Å
265E37Very low36.3Very low181 Ų181128.5 Ų128.585%0.84674%0.743SS**G310 helixtrans-80-14.1-179.9-68.3-167.1167.100113.8E263E263-E265 PolarHBondContact O-N 3.14Å; E263-E265 VanDerWaalsContact O-N 3.08Å
266N34.1Very low35.6Very low132 Ų132131.8 Ų131.871%0.70676%0.756SS**G310 helixtrans-114.618.2-173.1-71.2-52.8000115.4P268N266-P268 WeakPolarHBondContact O-CD 3.36Å
267D37.8Very low35.3Very low128 Ų128132.7 Ų132.768%0.68476%0.759SS**  trans-76.3118.7-179.6-151.3-7.9000111.4L269D267-L269 PolarHBondContact O-N 2.93Å; D267-L269 VanDerWaalsContact O-N 3.08Å
268P40.5Very low34.8Very low113 Ų113135.5 Ų135.573%0.73476%0.759SS**SBendtrans-80.622.1-169.729.7-32.4000115.8N266N266-P268 WeakPolarHBondContact O-CD 3.36Å
269L35.3Very low34.5Very low157 Ų157137.1 Ų137.182%0.82276%0.762SS**  trans-132.572.3177.2-75.7161.6000112.5D267D267-L269 PolarHBondContact O-N 2.93Å; D267-L269 VanDerWaalsContact O-N 3.08Å
270P38.1Very low34.6Very low112 Ų112143.1 Ų143.173%0.72778%0.775SS**  trans-80.7147162.735.5-29.7000109
271D30.9Very low33.9Very low147 Ų147140.6 Ų140.679%0.78677%0.769SS**  trans8075.9175.5-76.2-13.9000118.1
272V32.9Very low33.6Very low144 Ų144141.1 Ų141.187%0.87377%0.772SS**  trans-136.573.1139.2-1670000109.7G274V272-G274 VanDerWaalsContact C-N 3.25Å; V272-G274 PolarHBondContact O-N 2.99Å
273D34Very low33.1Very low149 Ų149139.3 Ų139.380%0.79777%0.772SS**  trans-70.582.6165.3-84.3-18.8000109.7I275D273-I275 PolarHBondContact O-N 3.1Å; D273-I275 VanDerWaalsContact O-N 3.11Å
274G34.3Very low32.8Very low64 Ų64140 Ų14066%0.6678%0.78SS**  trans-74.790.1170.500000110.9V272 E276V272-G274 VanDerWaalsContact C-N 3.25Å; V272-G274 PolarHBondContact O-N 2.99Å; G274-E276 PolarHBondContact O-N 3Å
275I30.9Very low32Very low144 Ų144143.2 Ų143.274%0.73878%0.784SS**  trans-62.3102.3171.7-63.5167.7000109.1D273 I277D273-I275 PolarHBondContact O-N 3.1Å; D273-I275 VanDerWaalsContact O-N 3.11Å; I275-I277 HydrophobicContact CG2-CG1 3.99Å; I275-I277 PolarHBondContact O-N 2.64Å; I275-I277 VanDerWaalsContact O-N 3.15Å
276E29.3Very low31.6Very low179 Ų179142.3 Ų142.384%0.83679%0.785SS**  trans-70.4101.9163.5-80.1-170.816200109.3G274 R278G274-E276 PolarHBondContact O-N 3Å; E276-R278 PolarHBondContact O-N 2.88Å; E276-R278 VanDerWaalsContact O-N 3.13Å
277I25Very low31.5Very low144 Ų144143.3 Ų143.374%0.73879%0.791SS**  trans-73.8102.2170.2-56.5174.6000107.6I275I275-I277 HydrophobicContact CG2-CG1 3.99Å; I275-I277 PolarHBondContact O-N 2.64Å; I275-I277 VanDerWaalsContact O-N 3.15Å
278R28.4Very low31Very low217 Ų217145.9 Ų145.982%0.81980%0.798SS**  trans-61.2129.1166.3-71.8-176.4175.2-171-1.7108.9E276 H280E276-R278 PolarHBondContact O-N 2.88Å; E276-R278 VanDerWaalsContact O-N 3.13Å; R278-H280 PolarHBondContact O-N 3.28Å
279P28.2Very low30.4Very low124 Ų124150.1 Ų150.181%0.80581%0.806SS**  trans-63.8137.9179.425.7-30.8000109.7
280H32.6Very low30Very low181 Ų181149.1 Ų149.184%0.83881%0.806SS**  trans-44.5132.5-171.9-82.8-82.8000114.3R278R278-H280 PolarHBondContact O-N 3.28Å
281S25.4Very low29.6Very low104 Ų104150.9 Ų150.973%0.72780%0.804SS**  trans-50.9130.2163.851.80000112.2
282D28.2Very low29.9Very low158 Ų158148.6 Ų148.685%0.84580%0.8SS**  trans-140.8126.7144.5-90-31.3000108.1
283S31.1Very low29.9Very low117 Ų117149.1 Ų149.182%0.81879%0.791SS**  trans97.5104.6168.7-36.90000116.1
284D28.6Very low30Very low155 Ų155147.8 Ų147.883%0.82978%0.784SS**  trans-56.7123.7167-50.6-66.5000111.1
285D30.6Very low30.1Very low157 Ų157150.7 Ų150.784%0.8478%0.783SS**  trans-145.9114.1147.6-93.7-36.9000106.9D287D285-D287 VanDerWaalsContact C-N 3.35Å; D285-D287 PolarHBondContact O-N 3.36Å
286D28.6Very low30.5Very low162 Ų162147.7 Ų147.787%0.86677%0.772SS**  trans-66.184.4-179.9-69.2-56.2000110.7E288D286-E288 PolarHBondContact O-N 3.24Å
287D30Very low31Very low153 Ų153141.8 Ų141.882%0.81875%0.75SS**  trans-84.996.5161.6-80.9-30.1000108.8D285 F289D285-D287 VanDerWaalsContact C-N 3.35Å; D285-D287 PolarHBondContact O-N 3.36Å; D287-F289 PolarHBondContact O-N 3.41Å
288E28Very low31.8Very low182 Ų182139.3 Ų139.385%0.8574%0.737SS**  trans-43.6111.6167.7-93.4-177.4156.600110.3D286 V290D286-E288 PolarHBondContact O-N 3.24Å; E288-V290 PolarHBondContact O-N 3.05Å
289F27.5Very low32.3Very low202 Ų202135 Ų13589%0.88673%0.726SS**  trans-61.899.6171.1-129.3-98.7000108.3D287 E291D287-F289 PolarHBondContact O-N 3.41Å; F289-E291 VanDerWaalsContact C-N 3.34Å; F289-E291 PolarHBondContact O-N 3.03Å
290V27.2Very low32.7Very low136 Ų136133.6 Ų133.682%0.82471%0.713SS**  trans-68.997.4172.8-176.30000107.8E288E288-V290 PolarHBondContact O-N 3.05Å
291E31Very low33.3Very low149 Ų149132.6 Ų132.670%0.69671%0.706SS**  trans-51137.2174.9-122.7179.7-179.100111.2F289 K293F289-E291 VanDerWaalsContact C-N 3.34Å; F289-E291 PolarHBondContact O-N 3.03Å; E291-K293 PolarHBondContact O-N 2.93Å
292S36Very low33.9Very low100 Ų100133.8 Ų133.870%0.69970%0.698SS**SBendtrans-61.250.1-174.842.50000116.1D294S292-D294 VanDerWaalsContact C-N 3.28Å; S292-D294 PolarHBondContact O-N 2.79Å
293K33.8Very low34.5Very low155 Ų155131.9 Ų131.967%0.67468%0.684SS**Hα-helixtrans-70.9-20.6170.8-74.9178.7178.4166.90113.4E291 T296 S297E291-K293 PolarHBondContact O-N 2.93Å; K293-T296 PolarHBondContact O-OG1 3.23Å; K293-T296 VanDerWaalsContact O-OG1 3.13Å; K293-S297 PolarHBondContact O-N 3.01Å
294D35.6Very low34.8Very low121 Ų121133.6 Ų133.665%0.64768%0.679SS**Hα-helixtrans-73.3-34.4-176.9-85.3-18000113.3S292 S297 I298S292-D294 VanDerWaalsContact C-N 3.28Å; S292-D294 PolarHBondContact O-N 2.79Å; D294-S297 PolarHBondContact O-N 2.97Å; D294-S297 PolarHBondContact O-OG 3.48Å; D294-I298 VanDerWaalsContact O-CG1 3.31Å; D294-I298 WeakPolarHBondContact O-CG1 3.15Å; D294-I298 PolarHBondContact O-N 3.22Å; D294-I298 VanDerWaalsContact O-N 3.09Å
295L36.4Very low35.4Very low124 Ų124129.9 Ų129.965%0.64967%0.665SS**Hα-helixtrans-68.2-41.5-177.2-134.7101.3000112.4S297 I298 Q299L295-S297 VanDerWaalsContact C-N 3.34Å; L295-I298 PolarHBondContact O-N 3.12Å; L295-Q299 PolarHBondContact O-N 3.27Å
296T39.6Very low35.8Very low81 Ų81126.8 Ų126.850%0.49766%0.655SS.*Hα-helixtrans-68.7-34.717644.90000111.6K293 I298 Q299 N300K293-T296 PolarHBondContact O-OG1 3.23Å; K293-T296 VanDerWaalsContact O-OG1 3.13Å; T296-I298 PolarHBondContact O-N 3Å; T296-Q299 PolarHBondContact O-N 2.88Å; T296-N300 WeakPolarHBondContact O-CB 3.28Å; T296-N300 VanDerWaalsContact O-CG 3.31Å; T296-N300 PolarHBondContact O-N 3.32Å; T296-N300 PolarHBondContact O-ND2 3.28Å
297S39.2Very low35.8Very low55 Ų55123.3 Ų123.339%0.38564%0.643SS.*Hα-helixtrans-65-37.6175.481.90000112.7K293 D294 L295 K301K293-S297 PolarHBondContact O-N 3.01Å; D294-S297 PolarHBondContact O-N 2.97Å; D294-S297 PolarHBondContact O-OG 3.48Å; L295-S297 VanDerWaalsContact C-N 3.34Å; S297-K301 WeakPolarHBondContact O-CB 3.44Å; S297-K301 PolarHBondContact O-N 3.26Å
298I42.4Very low36Very low92 Ų92122.1 Ų122.147%0.47264%0.641SS.*Hα-helixtrans-67.8-43.9177.5-67.3165.6000110.6D294 L295 T296 K301 F302D294-I298 VanDerWaalsContact O-CG1 3.31Å; D294-I298 WeakPolarHBondContact O-CG1 3.15Å; D294-I298 PolarHBondContact O-N 3.22Å; D294-I298 VanDerWaalsContact O-N 3.09Å; L295-I298 PolarHBondContact O-N 3.12Å; T296-I298 PolarHBondContact O-N 3Å; I298-K301 PolarHBondContact O-N 3.14Å; I298-F302 PolarHBondContact O-N 3.43Å; I298-F302 VanDerWaalsContact O-N 3.16Å
299Q37.8Very low36.1Very low126 Ų126120.1 Ų120.159%0.58964%0.637SS**Hα-helixtrans-63.8-42.6176-108164.5-28.800112.6L295 T296 K301 F302 Q303L295-Q299 PolarHBondContact O-N 3.27Å; T296-Q299 PolarHBondContact O-N 2.88Å; Q299-K301 PolarHBondContact O-N 2.8Å; Q299-F302 WeakPolarHBondContact O-CB 3.37Å; Q299-F302 PolarHBondContact O-N 3.3Å; Q299-Q303 PolarHBondContact O-N 3.26Å
300N38Very low36.3Very low96 Ų96116.2 Ų116.251%0.51363%0.631SS.*Hα-helixtrans-65.8-37.9178-76.4-17.6000112.4T296 F302 Q303 Q304T296-N300 WeakPolarHBondContact O-CB 3.28Å; T296-N300 VanDerWaalsContact O-CG 3.31Å; T296-N300 PolarHBondContact O-N 3.32Å; T296-N300 PolarHBondContact O-ND2 3.28Å; N300-F302 VanDerWaalsContact C-N 3.28Å; N300-F302 PolarHBondContact O-N 3.22Å; N300-Q303 PolarHBondContact O-N 3.14Å; N300-Q304 PolarHBondContact O-N 3.49Å
301K43.9Very low36.4Very low159 Ų159116.3 Ų116.369%0.69163%0.632SS**Hα-helixtrans-63.5-36.1174.8-127.6172.1-175.2173.30111.8S297 I298 Q299 S305S297-K301 WeakPolarHBondContact O-CB 3.44Å; S297-K301 PolarHBondContact O-N 3.26Å; I298-K301 PolarHBondContact O-N 3.14Å; Q299-K301 PolarHBondContact O-N 2.8Å; K301-S305 PolarHBondContact O-N 2.85Å; K301-S305 VanDerWaalsContact O-N 3.15Å; K301-S305 PolarHBondContact O-OG 2.95Å
302F39.6Very low36.4Very low130 Ų130114.3 Ų114.357%0.5763%0.634SS**Hα-helixtrans-70.6-38177.5-158.2-97.4000112.4I298 Q299 N300 S305 C306I298-F302 PolarHBondContact O-N 3.43Å; I298-F302 VanDerWaalsContact O-N 3.16Å; Q299-F302 WeakPolarHBondContact O-CB 3.37Å; Q299-F302 PolarHBondContact O-N 3.3Å; N300-F302 VanDerWaalsContact C-N 3.28Å; N300-F302 PolarHBondContact O-N 3.22Å; F302-S305 PolarHBondContact O-N 3.34Å; F302-S305 PolarHBondContact O-OG 3.33Å; F302-C306 PolarHBondContact O-N 2.79Å; F302-C306 PolarHBondContact O-SG 2.73Å; F302-C306 VanDerWaalsContact O-SG 3.37Å
303Q40.1Very low36Very low117 Ų117114.8 Ų114.855%0.54764%0.638SS.*Hα-helixtrans-66.6-40.3173.7-100.9171.9-37.500112.3Q299 N300 S305 C306 S307Q299-Q303 PolarHBondContact O-N 3.26Å; N300-Q303 PolarHBondContact O-N 3.14Å; Q303-S305 PolarHBondContact O-N 3.01Å; Q303-C306 PolarHBondContact O-N 3.38Å; Q303-S307 PolarHBondContact O-N 3.26Å; Q303-S307 PolarHBondContact O-OG 2.94Å
304Q36.6Very low35.8Very low153 Ų153112.6 Ų112.672%0.71564%0.638SS**Hα-helixtrans-66.1-34.4176.1-83.3-178.7-18.100113.4N300 C306N300-Q304 PolarHBondContact O-N 3.49Å; Q304-C306 VanDerWaalsContact C-N 3.35Å
305S41.6Very low35.5Very low77 Ų77113.1 Ų113.154%0.53864%0.64SS.*Hα-helixtrans-72.3-27.6176.853.70000113.6K301 F302 Q303K301-S305 PolarHBondContact O-N 2.85Å; K301-S305 VanDerWaalsContact O-N 3.15Å; K301-S305 PolarHBondContact O-OG 2.95Å; F302-S305 PolarHBondContact O-N 3.34Å; F302-S305 PolarHBondContact O-OG 3.33Å; Q303-S305 PolarHBondContact O-N 3.01Å
306C38.5Very low35.2Very low93 Ų93114 Ų11463%0.62866%0.655SS**Hα-helixtrans-84.7-17.3178.9-68.50000113.1F302 Q303 Q304 V308F302-C306 PolarHBondContact O-N 2.79Å; F302-C306 PolarHBondContact O-SG 2.73Å; F302-C306 VanDerWaalsContact O-SG 3.37Å; Q303-C306 PolarHBondContact O-N 3.38Å; Q304-C306 VanDerWaalsContact C-N 3.35Å; C306-V308 PolarHBondContact O-N 3.32Å
307S29.6Very low34.6Very low89 Ų89118 Ų11862%0.62267%0.668SS**  trans-93.167.9174.2-61.40000110.7Q303Q303-S307 PolarHBondContact O-N 3.26Å; Q303-S307 PolarHBondContact O-OG 2.94Å
308V33.8Very low34.4Very low127 Ų127127.1 Ų127.177%0.7771%0.713SS**  trans-106.3125.6158.2-1790000107.5C306C306-V308 PolarHBondContact O-N 3.32Å
309D30.6Very low34Very low141 Ų141128.9 Ų128.975%0.75473%0.725SS**  trans-64153.7-160.2-65.4-57.7000115.8
310P31Very low33.8Very low119 Ų119129.1 Ų129.177%0.77373%0.732SS**  trans-68.1137.8-178.727.7-33.4000111.8S312P310-S312 PolarHBondContact O-N 3.35Å; P310-S312 VanDerWaalsContact O-N 3.1Å
311V30.4Very low33.6Very low138 Ų138130.9 Ų130.984%0.83674%0.744SS**  trans-45.5115.8173.21770000110.1S313V311-S313 PolarHBondContact O-N 2.88Å
312S29.4Very low32.9Very low107 Ų107129.2 Ų129.275%0.74875%0.747SS**  trans-66.792.6173.8630000110P310 T314P310-S312 PolarHBondContact O-N 3.35Å; P310-S312 VanDerWaalsContact O-N 3.1Å; S312-T314 PolarHBondContact O-N 3.33Å
313S28.1Very low32.5Very low110 Ų110129.2 Ų129.277%0.76976%0.758SS**  trans-78.794.5158.151.80000108.1V311V311-S313 PolarHBondContact O-N 2.88Å
314T29.8Very low32Very low110 Ų110130 Ų13068%0.67577%0.773SS**  trans-155.5114.7163.84.40000111.6S312S312-T314 PolarHBondContact O-N 3.33Å
315N29.1Very low31.7Very low131 Ų131128.4 Ų128.470%0.70178%0.777SS**  trans6696.5147.2-59.4-2000119.5
316C30.8Very low30.9Very low143 Ų143132.3 Ų132.397%0.96680%0.795SS**  trans-107.182.5139.7-78.30000108.1
317E27.2Very low30.3Very low165 Ų165135.6 Ų135.677%0.77181%0.809SS**  trans-107110.2157.5-82.2-175.3147.100107.6
318N34Very low30.4Very low247 Ų247139.8 Ų139.8100%1.32183%0.826SS**  trans177.80139.1-94-15.4000109.3

Retrieved 318 of 318 residues in 168.8 ms (Link to these results)