A0A087XC58_POEFO Loading...

Receptor-interacting serine-threonine kinase 3

AlphaFold DB , UniProt , Accession A0A087XC58, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 480 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.1Very low52.8Low242 Ų242124.1 Ų124.1100%1.19271%0.708SS**  0143.40-70.1172.4177.400107.3L3M1-L3 PolarHBondContact O-N 3.38Å
2A29.4Very low56.1Low90 Ų90113.8 Ų113.874%0.74465%0.65SS**  trans-66123.2-166.800000112.3H4A2-H4 PolarHBondContact O-N 3.39Å; A2-H4 VanDerWaalsContact O-N 3.17Å
3L32Very low59Low172 Ų172114 Ų11490%0.90164%0.638SS**  trans-66.4107.1156.9-74.7160.3000106M1 N5M1-L3 PolarHBondContact O-N 3.38Å; L3-N5 PolarHBondContact O-N 3.39Å
4H36.7Very low61.3Low173 Ų173109.9 Ų109.980%0.80162%0.615SS**  trans-60138.2174.6-100.3-93.2000109.4A2 S6A2-H4 PolarHBondContact O-N 3.39Å; A2-H4 VanDerWaalsContact O-N 3.17Å; H4-S6 VanDerWaalsContact C-N 3.31Å; H4-S6 PolarHBondContact O-N 3.11Å
5N38.8Very low63.5Low160 Ų160108.5 Ų108.586%0.85661%0.61SS**  trans-60.892.2170.3-75.1-23.4000109.6L3L3-N5 PolarHBondContact O-N 3.39Å
6S47.2Very low65.4Low78 Ų78103.9 Ų103.955%0.54558%0.583SS.*PPolyproline II helixtrans-60.8124.1158.5-70.30000107.1H4 A8H4-S6 VanDerWaalsContact C-N 3.31Å; H4-S6 PolarHBondContact O-N 3.11Å; S6-A8 PolarHBondContact O-N 3.29Å
7P52.9Low67.2Low115 Ų11598.1 Ų98.175%0.74755%0.55SS**PPolyproline II helixtrans-59140176.925-33.2000109.3L9P7-L9 PolarHBondContact O-N 3.29Å
8A63.6Low68.7Low92 Ų9295.1 Ų95.176%0.7653%0.532SS*.PPolyproline II helixtrans-55.2135.2176.300000109.9S6 K10S6-A8 PolarHBondContact O-N 3.29Å; A8-K10 PolarHBondContact O-N 2.89Å
9L72.1Confident70Confident40 Ų4095.2 Ų95.221%0.20953%0.531CS..PPolyproline II helixtrans-55.8128.3179.6-73.3161.6000109.9P7 L62 Q66 V76 I79P7-L9 PolarHBondContact O-N 3.29Å; L9-L62 HydrophobicContact CD1-CB 4.13Å; L9-L62 HydrophobicContact CD1-CD1 3.98Å; L9-L62 HydrophobicContact CD1-CD2 3.58Å; L9-L62 HydrophobicContact CD1-CG 4.09Å; L9-Q66 HydrophobicContact CD1-CG 4.04Å; L9-Q66 VanDerWaalsContact CD1-NE2 3.28Å; L9-Q66 HydrophobicContact CG-CG 4.37Å; L9-V76 HydrophobicContact CD2-CG1 3.95Å; L9-I79 HydrophobicContact CB-CD1 4.35Å; L9-I79 HydrophobicContact CB-CG1 4.24Å; L9-I79 HydrophobicContact CD1-CD1 4.33Å; L9-I79 HydrophobicContact CD1-CG1 4.35Å
10K85.7Confident71.2Confident115 Ų11593.6 Ų93.650%0.552%0.516SS..EExtended strand (participates in β ladder)trans-70135179-62.4-179.9-176.5174.80109.2A8 W39 G78 I79A8-K10 PolarHBondContact O-N 2.89Å; K10-W39 HydrophobicContact CD-CH2 4.27Å; K10-W39 HydrophobicContact CD-CZ2 3.66Å; K10-G78 CarbonylContact O-C 3.42Å; K10-G78 WeakPolarHBondContact O-CA 3.47Å; K10-I79 PolarHBondContact O-N 3.33Å
11V90.1Very high72.2Confident88 Ų8893.8 Ų93.853%0.53351%0.513SS..EExtended strand (participates in β ladder)trans-89.4122.7168.8-178.90000108I79 K81V11-I79 CarbonylContact C-O 3.57Å; V11-I79 WeakPolarHBondContact CA-O 3.43Å; V11-K81 HydrophobicContact CG1-CB 4.03Å
12V92.1Very high75.1Confident1 Ų185.9 Ų85.91%0.00648%0.478CS..EExtended strand (participates in β ladder)trans-109.3132178.5-177.10000108.5D16 L17 W39 I79 F80 K81 V96V12-D16 HydrophobicContact CG1-CB 4.02Å; V12-L17 HydrophobicContact CG1-CD1 3.83Å; V12-L17 HydrophobicContact CG1-CD2 4.1Å; V12-L17 HydrophobicContact CG1-CG 3.91Å; V12-W39 HydrophobicContact CG2-CH2 3.84Å; V12-W39 HydrophobicContact CG2-CZ2 4.21Å; V12-I79 PolarHBondContact N-O 2.86Å; V12-F80 CarbonylContact O-C 3.6Å; V12-F80 WeakPolarHBondContact O-CA 3.39Å; V12-K81 PolarHBondContact O-N 3.37Å; V12-V96 HydrophobicContact CB-CG2 4Å; V12-V96 HydrophobicContact CG2-CG1 4.48Å; V12-V96 HydrophobicContact CG2-CG2 3.99Å
13K93.7Very high77.9Confident116 Ų11685.2 Ų85.250%0.50446%0.461SS..  trans-102.9165.3178.8-61.3174.6-176.21740111T15 D16 L17K13-T15 PolarHBondContact O-N 2.75Å; K13-D16 WeakPolarHBondContact CB-OD2 3.47Å; K13-D16 PolarHBondContact N-OD2 3.35Å; K13-D16 WeakPolarHBondContact O-CB 3.14Å; K13-D16 PolarHBondContact O-N 3.42Å; K13-L17 WeakPolarHBondContact O-CD1 3.28Å
14D91.8Very high80.2Confident57 Ų5778.1 Ų78.131%0.30543%0.43SS..G310 helixtrans-55.5-37.8170.650.3-86.4000112.9D16 L17 F80 G82 Q83D14-D16 PolarHBondContact O-N 3.31Å; D14-L17 PolarHBondContact O-N 3.38Å; D14-L17 VanDerWaalsContact O-N 3.15Å; D14-F80 HydrophobicContact CB-CE2 4.41Å; D14-F80 HydrophobicContact CB-CZ 4.42Å; D14-G82 WeakPolarHBondContact OD1-CA 3.47Å; D14-Q83 WeakPolarHBondContact CB-O 3.37Å; D14-Q83 PolarHBondContact OD1-N 2.97Å; D14-Q83 VanDerWaalsContact OD1-N 3.08Å
15T93.6Very high81.9Confident88 Ų8874.9 Ų74.954%0.5443%0.427SS..G310 helixtrans-60.4-25.7174.956.30000114.3K13 L17 R37K13-T15 PolarHBondContact O-N 2.75Å; T15-L17 PolarHBondContact O-N 3.16Å; T15-R37 VanDerWaalsContact O-CD 3.3Å; T15-R37 WeakPolarHBondContact O-CD 3.4Å; T15-R37 PolarHBondContact O-NE 2.88Å
16D94.6Very high83.2Confident35 Ų3568.8 Ų68.819%0.18740%0.402CS..G310 helixtrans-83.6-2.9-177.2-53.1-37.3000112V12 K13 D14 H36 R37V12-D16 HydrophobicContact CG1-CB 4.02Å; K13-D16 WeakPolarHBondContact CB-OD2 3.47Å; K13-D16 PolarHBondContact N-OD2 3.35Å; K13-D16 WeakPolarHBondContact O-CB 3.14Å; K13-D16 PolarHBondContact O-N 3.42Å; D14-D16 PolarHBondContact O-N 3.31Å; D16-H36 CarbonylContact O-C 3.22Å; D16-R37 WeakPolarHBondContact O-CB 3.5Å; D16-R37 WeakPolarHBondContact O-CG 3.28Å; D16-R37 PolarHBondContact O-N 2.83Å
17L95.3Very high83.7Confident5 Ų568.2 Ų68.23%0.02641%0.409CS..EExtended strand (participates in β ladder)trans-124.1151.8-167.2-64.4162.2000112.4V12 K13 D14 T15 W20 A34 K35 H36 R37 V43 I45 F80V12-L17 HydrophobicContact CG1-CD1 3.83Å; V12-L17 HydrophobicContact CG1-CD2 4.1Å; V12-L17 HydrophobicContact CG1-CG 3.91Å; K13-L17 WeakPolarHBondContact O-CD1 3.28Å; D14-L17 PolarHBondContact O-N 3.38Å; D14-L17 VanDerWaalsContact O-N 3.15Å; T15-L17 PolarHBondContact O-N 3.16Å; L17-W20 HydrophobicContact CB-CZ2 3.85Å; L17-W20 HydrophobicContact CD1-CH2 3.87Å; L17-W20 HydrophobicContact CD1-CZ2 3.44Å; L17-W20 VanDerWaalsContact CD1-CZ2 3.44Å; L17-W20 HydrophobicContact CG-CZ2 4.29Å; L17-A34 HydrophobicContact CB-CB 4.36Å; L17-A34 HydrophobicContact CD2-CB 4.05Å; L17-K35 CarbonylContact C-O 3.5Å; L17-K35 WeakPolarHBondContact CA-O 3.12Å; L17-H36 HydrophobicContact CD2-CB 4.15Å; L17-R37 PolarHBondContact O-NE 3.37Å; L17-R37 PolarHBondContact O-NH2 3.19Å; L17-V43 HydrophobicContact CD2-CG2 3.87Å; L17-I45 HydrophobicContact CD1-CD1 3.35Å; L17-I45 HydrophobicContact CD2-CD1 4Å; L17-I45 HydrophobicContact CG-CD1 4.29Å; L17-F80 HydrophobicContact CD1-CD2 3.85Å; L17-F80 HydrophobicContact CD1-CE2 3.79Å
18E94.8Very high84.1Confident45 Ų4565.1 Ų65.121%0.2138%0.383CS..EExtended strand (participates in β ladder)trans-144177.3174.167.5-171.3-178.100111W20 A34 K35 R37E18-W20 PolarHBondContact O-N 3.33Å; E18-A34 WeakPolarHBondContact O-CA 3.37Å; E18-K35 HydrophobicContact CG-CB 3.87Å; E18-K35 HydrophobicContact CG-CD 4.19Å; E18-K35 HydrophobicContact CG-CG 4.32Å; E18-K35 PolarHBondContact N-O 3.39Å; E18-K35 PolarHBondContact O-N 3.29Å; E18-K35 IonicContact OE1-NZ 2.75Å; E18-K35 PolarHBondContact OE1-NZ 3.05Å; E18-R37 HydrophobicContact CG-CG 4.41Å; E18-R37 IonicContact OE2-CZ 2.85Å; E18-R37 IonicContact OE2-NH1 2.71Å; E18-R37 PolarHBondContact OE2-NH1 3.39Å; E18-R37 IonicContact OE2-NH2 3.6Å
19D93.8Very high84.4Confident96 Ų9660.9 Ų60.951%0.51335%0.349SS..EExtended strand (participates in β ladder)trans51.748173.3-54.4-23.7000114.3E21 K35 F42D19-E21 PolarHBondContact O-N 3.33Å; D19-K35 HydrophobicContact CB-CB 4.34Å; D19-F42 HydrophobicContact CB-CE1 4.44Å
20W93.5Very high84.9Confident64 Ų6461.3 Ų61.324%0.24235%0.35CS..EExtended strand (participates in β ladder)trans-70.7121.9-177.9-70.578000112.3L17 E18 Y32 K33 A34 I45 F80 P85L17-W20 HydrophobicContact CB-CZ2 3.85Å; L17-W20 HydrophobicContact CD1-CH2 3.87Å; L17-W20 HydrophobicContact CD1-CZ2 3.44Å; L17-W20 VanDerWaalsContact CD1-CZ2 3.44Å; L17-W20 HydrophobicContact CG-CZ2 4.29Å; E18-W20 PolarHBondContact O-N 3.33Å; W20-Y32 AromaticContact CE3-CD1 3.6Å; W20-Y32 HydrophobicContact CE3-CD1 3.6Å; W20-Y32 HydrophobicContact CE3-CD2 4.49Å; W20-Y32 HydrophobicContact CE3-CE1 4.26Å; W20-Y32 AromaticContact CE3-CG 3.7Å; W20-Y32 HydrophobicContact CE3-CG 3.7Å; W20-Y32 HydrophobicContact CZ3-CD1 4.25Å; W20-Y32 HydrophobicContact CZ3-CD2 4.36Å; W20-Y32 AromaticContact CZ3-CG 3.95Å; W20-Y32 HydrophobicContact CZ3-CG 3.95Å; W20-K33 CarbonylContact C-O 3.55Å; W20-K33 WeakPolarHBondContact CA-O 3.34Å; W20-A34 HydrophobicContact CD2-CB 3.94Å; W20-A34 HydrophobicContact CE3-CB 4.24Å; W20-A34 HydrophobicContact CG-CB 4.17Å; W20-I45 HydrophobicContact CE3-CD1 4.46Å; W20-I45 HydrophobicContact CH2-CD1 3.59Å; W20-I45 HydrophobicContact CZ2-CD1 4.18Å; W20-I45 HydrophobicContact CZ3-CD1 3.75Å; W20-I45 HydrophobicContact CZ3-CG2 4.43Å; W20-F80 HydrophobicContact CH2-CD2 4.31Å; W20-F80 HydrophobicContact CH2-CE1 4.43Å; W20-F80 AromaticContact CH2-CE2 3.64Å; W20-F80 HydrophobicContact CH2-CE2 3.64Å; W20-F80 AromaticContact CH2-CZ 3.69Å; W20-F80 HydrophobicContact CH2-CZ 3.69Å; W20-F80 AromaticContact CZ2-CE2 3.99Å; W20-F80 HydrophobicContact CZ2-CE2 3.99Å; W20-F80 HydrophobicContact CZ2-CZ 4.25Å; W20-P85 HydrophobicContact CB-CG 3.71Å; W20-P85 HydrophobicContact CD2-CG 3.74Å; W20-P85 HydrophobicContact CE3-CG 3.86Å; W20-P85 HydrophobicContact CG-CG 3.72Å
21E93.4Very high85.1Confident97 Ų9758.2 Ų58.245%0.45334%0.338SS..EExtended strand (participates in β ladder)trans-126.8131.4178.3-180179.8-171.200109.6D19 I23 Y32 K33D19-E21 PolarHBondContact O-N 3.33Å; E21-I23 HydrophobicContact CG-CG2 4.11Å; E21-I23 PolarHBondContact O-N 3.43Å; E21-Y32 CarbonylContact O-C 3.26Å; E21-Y32 WeakPolarHBondContact O-CA 3.32Å; E21-K33 HydrophobicContact CB-CB 4.34Å; E21-K33 PolarHBondContact N-O 3.06Å; E21-K33 PolarHBondContact O-N 2.74Å; E21-K33 WeakPolarHBondContact OE2-CD 3.39Å; E21-K33 IonicContact OE2-NZ 2.74Å; E21-K33 PolarHBondContact OE2-NZ 3.18Å
22V91.3Very high85.2Confident76 Ų7654.3 Ų54.346%0.46131%0.314SS..EExtended strand (participates in β ladder)trans-77.8111173.1178.70000108.5Q30 Y32V22-Q30 HydrophobicContact CG1-CG 4.13Å; V22-Q30 VanDerWaalsContact CG2-NE2 3.34Å; V22-Y32 HydrophobicContact CG2-CD1 3.95Å; V22-Y32 HydrophobicContact CG2-CE1 3.41Å; V22-Y32 VanDerWaalsContact CG2-CE1 3.41Å
23I88.8Confident85.4Confident76 Ų7656.2 Ų56.239%0.3932%0.322SS..EExtended strand (participates in β ladder)trans-102.6-14.3-178.462.4170.4000113.4E21 I31 K33 F99E21-I23 HydrophobicContact CG-CG2 4.11Å; E21-I23 PolarHBondContact O-N 3.43Å; I23-I31 HydrophobicContact CD1-CG2 3.82Å; I23-I31 HydrophobicContact CG1-CB 4.13Å; I23-I31 HydrophobicContact CG1-CG2 3.77Å; I23-I31 WeakPolarHBondContact CG1-O 3.35Å; I23-I31 PolarHBondContact N-O 3.38Å; I23-K33 HydrophobicContact CD1-CB 4.18Å; I23-K33 HydrophobicContact CG2-CB 3.59Å; I23-K33 HydrophobicContact CG2-CD 4.42Å; I23-F99 HydrophobicContact CD1-CD2 4.17Å; I23-F99 HydrophobicContact CD1-CE2 3.81Å
24G80.9Confident85.5Confident24 Ų2450.7 Ų50.725%0.24730%0.298CS..EExtended strand (participates in β ladder)trans-166.7158.317700000114.1I31G24-I31 PolarHBondContact N-O 2.91Å; G24-I31 VanDerWaalsContact N-O 3.17Å; G24-I31 PolarHBondContact O-N 3.31Å
25S73Confident85.7Confident104 Ų10450.7 Ų50.773%0.72730%0.295SS*.EExtended strand (participates in β ladder)trans-147.6143.5169.4590000109.7G29S25-G29 WeakPolarHBondContact CA-O 3.46Å
26G64.4Low85.8Confident33 Ų3346.7 Ų46.734%0.3427%0.271SS..EExtended strand (participates in β ladder)trans-175.6-167.8-177.100000113.2F28 G29G26-F28 PolarHBondContact O-N 2.92Å; G26-G29 PolarHBondContact N-O 2.93Å; G26-G29 PolarHBondContact O-N 2.95Å
27G58.4Low85.9Confident66 Ų6651.1 Ų51.168%0.6829%0.285SS*.THydrogen-bonded Turntrans-60.4-13.6-175.800000115.9
28F60.2Low85.8Confident49 Ų4958.1 Ų58.122%0.21532%0.317CS..THydrogen-bonded Turntrans-101-4.6177.7-55.8-57.4000114G26 D164 L167G26-F28 PolarHBondContact O-N 2.92Å; F28-D164 HydrophobicContact CE2-CB 4.29Å; F28-L167 HydrophobicContact CB-CD1 4.35Å; F28-L167 HydrophobicContact CD1-CB 4.18Å; F28-L167 HydrophobicContact CD1-CD1 3.72Å; F28-L167 HydrophobicContact CD1-CG 4.48Å; F28-L167 HydrophobicContact CD2-CD1 4.44Å; F28-L167 HydrophobicContact CE1-CB 3.72Å; F28-L167 HydrophobicContact CE1-CD1 4.07Å; F28-L167 HydrophobicContact CE1-CG 4.5Å; F28-L167 HydrophobicContact CG-CD1 3.92Å; F28-L167 HydrophobicContact CZ-CB 4.17Å
29G70.8Confident85.7Confident3 Ų359.2 Ų59.23%0.03132%0.32CS..EExtended strand (participates in β ladder)trans122.8-160.1-177.900000114.2S25 G26 L47 H49S25-G29 WeakPolarHBondContact CA-O 3.46Å; G26-G29 PolarHBondContact N-O 2.93Å; G26-G29 PolarHBondContact O-N 2.95Å; G29-L47 WeakPolarHBondContact CA-O 3.44Å; G29-H49 VanDerWaalsContact CA-CD2 3.48Å; G29-H49 WeakPolarHBondContact CA-CD2 3.25Å
30Q83.3Confident85.7Confident49 Ų4959 Ų5923%0.22933%0.325CS..EExtended strand (participates in β ladder)trans-105.3134.3-179-165.7169.511.700109.6V22 Y32 L47 S86V22-Q30 HydrophobicContact CG1-CG 4.13Å; V22-Q30 VanDerWaalsContact CG2-NE2 3.34Å; Q30-Y32 HydrophobicContact CB-CE2 4.05Å; Q30-Y32 VanDerWaalsContact CD-OH 3.27Å; Q30-Y32 HydrophobicContact CG-CD2 4.23Å; Q30-Y32 HydrophobicContact CG-CE2 3.56Å; Q30-Y32 PolarHBondContact NE2-OH 3.38Å; Q30-Y32 PolarHBondContact OE1-OH 3.38Å; Q30-L47 PolarHBondContact N-O 3.47Å; Q30-L47 PolarHBondContact O-N 2.87Å; Q30-S86 PolarHBondContact OE1-OG 3.37Å
31I89.8Confident85.7Confident51 Ų5162 Ų6226%0.26234%0.341SS..EExtended strand (participates in β ladder)trans-110.1126.2-179.7-48.3179.6000108.4I23 G24 I45 K46I23-I31 HydrophobicContact CD1-CG2 3.82Å; I23-I31 HydrophobicContact CG1-CB 4.13Å; I23-I31 HydrophobicContact CG1-CG2 3.77Å; I23-I31 WeakPolarHBondContact CG1-O 3.35Å; I23-I31 PolarHBondContact N-O 3.38Å; G24-I31 PolarHBondContact N-O 2.91Å; G24-I31 VanDerWaalsContact N-O 3.17Å; G24-I31 PolarHBondContact O-N 3.31Å; I31-I45 WeakPolarHBondContact CA-O 3.33Å; I31-K46 HydrophobicContact CG1-CB 4.5Å; I31-K46 HydrophobicContact CG1-CG 4.42Å
32Y92.9Very high85.8Confident5 Ų561.3 Ų61.32%0.0234%0.337CS..EExtended strand (participates in β ladder)trans-109.9145.8175-70.5-97.9000110.5W20 E21 V22 Q30 A44 I45 L47 P85 S86W20-Y32 AromaticContact CE3-CD1 3.6Å; W20-Y32 HydrophobicContact CE3-CD1 3.6Å; W20-Y32 HydrophobicContact CE3-CD2 4.49Å; W20-Y32 HydrophobicContact CE3-CE1 4.26Å; W20-Y32 AromaticContact CE3-CG 3.7Å; W20-Y32 HydrophobicContact CE3-CG 3.7Å; W20-Y32 HydrophobicContact CZ3-CD1 4.25Å; W20-Y32 HydrophobicContact CZ3-CD2 4.36Å; W20-Y32 AromaticContact CZ3-CG 3.95Å; W20-Y32 HydrophobicContact CZ3-CG 3.95Å; E21-Y32 CarbonylContact O-C 3.26Å; E21-Y32 WeakPolarHBondContact O-CA 3.32Å; V22-Y32 HydrophobicContact CG2-CD1 3.95Å; V22-Y32 HydrophobicContact CG2-CE1 3.41Å; V22-Y32 VanDerWaalsContact CG2-CE1 3.41Å; Q30-Y32 HydrophobicContact CB-CE2 4.05Å; Q30-Y32 VanDerWaalsContact CD-OH 3.27Å; Q30-Y32 HydrophobicContact CG-CD2 4.23Å; Q30-Y32 HydrophobicContact CG-CE2 3.56Å; Q30-Y32 PolarHBondContact NE2-OH 3.38Å; Q30-Y32 PolarHBondContact OE1-OH 3.38Å; Y32-A44 CarbonylContact O-C 3.58Å; Y32-A44 WeakPolarHBondContact O-CA 3.46Å; Y32-I45 PolarHBondContact N-O 3.41Å; Y32-I45 PolarHBondContact O-N 2.98Å; Y32-L47 HydrophobicContact CD2-CD1 3.75Å; Y32-L47 HydrophobicContact CD2-CG 4.18Å; Y32-L47 HydrophobicContact CE2-CD1 3.43Å; Y32-L47 VanDerWaalsContact CE2-CD1 3.43Å; Y32-L47 HydrophobicContact CE2-CG 4.3Å; Y32-P85 HydrophobicContact CE1-CB 4.39Å; Y32-P85 HydrophobicContact CE1-CG 4.09Å; Y32-S86 VanDerWaalsContact OH-CB 3.23Å; Y32-S86 WeakPolarHBondContact OH-CB 3.26Å; Y32-S86 PolarHBondContact OH-OG 2.64Å
33K95.3Very high85.9Confident42 Ų4257.8 Ų57.818%0.18332%0.315CS..EExtended strand (participates in β ladder)trans-91.8137.5153.3166.4-177.3159.9-152.70106.9W20 E21 I23 F42 V43 F99W20-K33 CarbonylContact C-O 3.55Å; W20-K33 WeakPolarHBondContact CA-O 3.34Å; E21-K33 HydrophobicContact CB-CB 4.34Å; E21-K33 PolarHBondContact N-O 3.06Å; E21-K33 PolarHBondContact O-N 2.74Å; E21-K33 WeakPolarHBondContact OE2-CD 3.39Å; E21-K33 IonicContact OE2-NZ 2.74Å; E21-K33 PolarHBondContact OE2-NZ 3.18Å; I23-K33 HydrophobicContact CD1-CB 4.18Å; I23-K33 HydrophobicContact CG2-CB 3.59Å; I23-K33 HydrophobicContact CG2-CD 4.42Å; K33-F42 HydrophobicContact CD-CD1 4.23Å; K33-F42 HydrophobicContact CG-CD1 3.74Å; K33-F42 HydrophobicContact CG-CE1 4.3Å; K33-F42 HydrophobicContact CG-CG 4.48Å; K33-V43 WeakPolarHBondContact CA-O 3.44Å; K33-F99 HydrophobicContact CB-CD2 4.23Å; K33-F99 HydrophobicContact CB-CE2 4.08Å; K33-F99 HydrophobicContact CD-CD2 4.39Å; K33-F99 HydrophobicContact CD-CE1 4.02Å; K33-F99 HydrophobicContact CD-CE2 3.87Å; K33-F99 HydrophobicContact CD-CZ 3.68Å; K33-F99 HydrophobicContact CG-CD2 4.21Å; K33-F99 HydrophobicContact CG-CE2 4.14Å; K33-F99 HydrophobicContact CG-CZ 4.38Å
34A95.6Very high86.2Confident0 Ų054.6 Ų54.60%030%0.3CS..EExtended strand (participates in β ladder)trans-148.2156.6171.400000108.8L17 E18 W20 F42 V43 I45L17-A34 HydrophobicContact CB-CB 4.36Å; L17-A34 HydrophobicContact CD2-CB 4.05Å; E18-A34 WeakPolarHBondContact O-CA 3.37Å; W20-A34 HydrophobicContact CD2-CB 3.94Å; W20-A34 HydrophobicContact CE3-CB 4.24Å; W20-A34 HydrophobicContact CG-CB 4.17Å; A34-F42 WeakPolarHBondContact O-CA 3.45Å; A34-V43 PolarHBondContact N-O 3.49Å; A34-V43 WeakPolarHBondContact O-CG2 3.46Å; A34-V43 PolarHBondContact O-N 3.17Å; A34-I45 HydrophobicContact CB-CD1 3.8Å
35K96.3Very high86.8Confident56 Ų5653.4 Ų53.424%0.24329%0.289CS..EExtended strand (participates in β ladder)trans-98.8127.2177.1-174-179.1166.7-142.10109.9L17 E18 D19 R37 E41 F42L17-K35 CarbonylContact C-O 3.5Å; L17-K35 WeakPolarHBondContact CA-O 3.12Å; E18-K35 HydrophobicContact CG-CB 3.87Å; E18-K35 HydrophobicContact CG-CD 4.19Å; E18-K35 HydrophobicContact CG-CG 4.32Å; E18-K35 PolarHBondContact N-O 3.39Å; E18-K35 PolarHBondContact O-N 3.29Å; E18-K35 IonicContact OE1-NZ 2.75Å; E18-K35 PolarHBondContact OE1-NZ 3.05Å; D19-K35 HydrophobicContact CB-CB 4.34Å; K35-R37 PolarHBondContact O-N 3.47Å; K35-E41 WeakPolarHBondContact CA-O 3.1Å; K35-F42 HydrophobicContact CB-CD1 3.92Å; K35-F42 HydrophobicContact CB-CE1 3.77Å; K35-F42 HydrophobicContact CB-CZ 4.38Å; K35-F42 HydrophobicContact CD-CZ 4.38Å; K35-F42 HydrophobicContact CG-CE1 4.43Å
36H96.1Very high87.5Confident5 Ų548.7 Ų48.72%0.02326%0.255CS..EExtended strand (participates in β ladder)trans-84.6112.9179-172.4-54.8000110.6D16 L17 Q38 W39 C40 E41D16-H36 CarbonylContact O-C 3.22Å; L17-H36 HydrophobicContact CD2-CB 4.15Å; H36-Q38 VanDerWaalsContact C-N 3.35Å; H36-Q38 PolarHBondContact ND1-N 3.34Å; H36-Q38 PolarHBondContact O-N 3.12Å; H36-Q38 VanDerWaalsContact O-N 3.17Å; H36-W39 HydrophobicContact CB-CB 4.15Å; H36-W39 HydrophobicContact CB-CD2 4.05Å; H36-W39 HydrophobicContact CB-CE3 3.9Å; H36-W39 HydrophobicContact CB-CG 4.2Å; H36-W39 AromaticContact CD2-CD2 3.52Å; H36-W39 AromaticContact CD2-CE2 3.53Å; H36-W39 AromaticContact CD2-CE3 3.61Å; H36-W39 AromaticContact CD2-CH2 3.73Å; H36-W39 AromaticContact CD2-CZ2 3.63Å; H36-W39 AromaticContact CD2-CZ3 3.72Å; H36-W39 AromaticContact CE1-CD1 3.65Å; H36-W39 AromaticContact CE1-CD2 3.88Å; H36-W39 AromaticContact CE1-CE2 3.57Å; H36-W39 AromaticContact CE1-CG 3.91Å; H36-W39 AromaticContact CE1-NE1 3.39Å; H36-W39 PolarHBondContact CE1-NE1 3.47Å; H36-W39 AromaticContact CG-CD2 3.48Å; H36-W39 VanDerWaalsContact CG-CD2 3.48Å; H36-W39 AromaticContact CG-CE2 3.89Å; H36-W39 AromaticContact CG-CE3 3.69Å; H36-W39 AromaticContact CG-CG 3.71Å; H36-W39 AromaticContact ND1-CD1 3.63Å; H36-W39 AromaticContact ND1-CD2 3.69Å; H36-W39 AromaticContact ND1-CE2 3.89Å; H36-W39 AromaticContact ND1-CG 3.5Å; H36-W39 PolarHBondContact ND1-N 2.92Å; H36-W39 AromaticContact ND1-NE1 3.8Å; H36-W39 AromaticContact NE2-CD2 3.78Å; H36-W39 AromaticContact NE2-CE2 3.31Å; H36-W39 VanDerWaalsContact NE2-CE2 3.31Å; H36-W39 AromaticContact NE2-CH2 3.97Å; H36-W39 AromaticContact NE2-CZ2 3.41Å; H36-W39 WeakPolarHBondContact NE2-CZ2 3.39Å; H36-W39 AromaticContact NE2-NE1 3.6Å; H36-W39 PolarHBondContact O-N 2.93Å; H36-C40 PolarHBondContact O-N 2.78Å; H36-E41 PolarHBondContact N-O 3.32Å
37R95.3Very high88.5Confident127 Ų12747.4 Ų47.448%0.47924%0.24SC..THydrogen-bonded Turntrans-50-46.9-171.6-66.8178.8-179.7-70-9.4114.3T15 D16 L17 E18 K35T15-R37 VanDerWaalsContact O-CD 3.3Å; T15-R37 WeakPolarHBondContact O-CD 3.4Å; T15-R37 PolarHBondContact O-NE 2.88Å; D16-R37 WeakPolarHBondContact O-CB 3.5Å; D16-R37 WeakPolarHBondContact O-CG 3.28Å; D16-R37 PolarHBondContact O-N 2.83Å; L17-R37 PolarHBondContact O-NE 3.37Å; L17-R37 PolarHBondContact O-NH2 3.19Å; E18-R37 HydrophobicContact CG-CG 4.41Å; E18-R37 IonicContact OE2-CZ 2.85Å; E18-R37 IonicContact OE2-NH1 2.71Å; E18-R37 PolarHBondContact OE2-NH1 3.39Å; E18-R37 IonicContact OE2-NH2 3.6Å; K35-R37 PolarHBondContact O-N 3.47Å
38Q94.1Very high89.1Confident152 Ų15245.9 Ų45.971%0.7122%0.216SC*.THydrogen-bonded Turntrans-81-24.6-178.3-59.6-178.83.300114.6H36H36-Q38 VanDerWaalsContact C-N 3.35Å; H36-Q38 PolarHBondContact ND1-N 3.34Å; H36-Q38 PolarHBondContact O-N 3.12Å; H36-Q38 VanDerWaalsContact O-N 3.17Å
39W93.3Very high89.2Confident69 Ų6949.9 Ų49.926%0.26124%0.235SC..THydrogen-bonded Turntrans-91.2-18.7-178.9-53.5-12.3000110.5K10 V12 H36 E41 V43 I77 V96K10-W39 HydrophobicContact CD-CH2 4.27Å; K10-W39 HydrophobicContact CD-CZ2 3.66Å; V12-W39 HydrophobicContact CG2-CH2 3.84Å; V12-W39 HydrophobicContact CG2-CZ2 4.21Å; H36-W39 HydrophobicContact CB-CB 4.15Å; H36-W39 HydrophobicContact CB-CD2 4.05Å; H36-W39 HydrophobicContact CB-CE3 3.9Å; H36-W39 HydrophobicContact CB-CG 4.2Å; H36-W39 AromaticContact CD2-CD2 3.52Å; H36-W39 AromaticContact CD2-CE2 3.53Å; H36-W39 AromaticContact CD2-CE3 3.61Å; H36-W39 AromaticContact CD2-CH2 3.73Å; H36-W39 AromaticContact CD2-CZ2 3.63Å; H36-W39 AromaticContact CD2-CZ3 3.72Å; H36-W39 AromaticContact CE1-CD1 3.65Å; H36-W39 AromaticContact CE1-CD2 3.88Å; H36-W39 AromaticContact CE1-CE2 3.57Å; H36-W39 AromaticContact CE1-CG 3.91Å; H36-W39 AromaticContact CE1-NE1 3.39Å; H36-W39 PolarHBondContact CE1-NE1 3.47Å; H36-W39 AromaticContact CG-CD2 3.48Å; H36-W39 VanDerWaalsContact CG-CD2 3.48Å; H36-W39 AromaticContact CG-CE2 3.89Å; H36-W39 AromaticContact CG-CE3 3.69Å; H36-W39 AromaticContact CG-CG 3.71Å; H36-W39 AromaticContact ND1-CD1 3.63Å; H36-W39 AromaticContact ND1-CD2 3.69Å; H36-W39 AromaticContact ND1-CE2 3.89Å; H36-W39 AromaticContact ND1-CG 3.5Å; H36-W39 PolarHBondContact ND1-N 2.92Å; H36-W39 AromaticContact ND1-NE1 3.8Å; H36-W39 AromaticContact NE2-CD2 3.78Å; H36-W39 AromaticContact NE2-CE2 3.31Å; H36-W39 VanDerWaalsContact NE2-CE2 3.31Å; H36-W39 AromaticContact NE2-CH2 3.97Å; H36-W39 AromaticContact NE2-CZ2 3.41Å; H36-W39 WeakPolarHBondContact NE2-CZ2 3.39Å; H36-W39 AromaticContact NE2-NE1 3.6Å; H36-W39 PolarHBondContact O-N 2.93Å; W39-E41 HydrophobicContact CB-CB 4.45Å; W39-E41 PolarHBondContact O-N 3.05Å; W39-V43 HydrophobicContact CE3-CG1 4.09Å; W39-V43 HydrophobicContact CZ3-CG1 4Å; W39-I77 HydrophobicContact CH2-CG2 3.78Å; W39-I77 HydrophobicContact CZ3-CB 4.47Å; W39-I77 HydrophobicContact CZ3-CD1 4.41Å; W39-I77 HydrophobicContact CZ3-CG2 3.77Å; W39-V96 HydrophobicContact CZ3-CG1 4.33Å
40C92.7Very high88.3Confident92 Ų9259 Ų5962%0.62227%0.27SS*.  trans61.211-173.1-63.20000114.8H36H36-C40 PolarHBondContact O-N 2.78Å
41E93.3Very high86.8Confident127 Ų12761.7 Ų61.759%0.59329%0.286SS*.SBendtrans-106.7154-176.1-69.8-6016300112.8K35 H36 W39K35-E41 WeakPolarHBondContact CA-O 3.1Å; H36-E41 PolarHBondContact N-O 3.32Å; W39-E41 HydrophobicContact CB-CB 4.45Å; W39-E41 PolarHBondContact O-N 3.05Å
42F95.4Very high84.9Confident81 Ų8164.3 Ų64.336%0.35530%0.301SS..EExtended strand (participates in β ladder)trans-79.5137.6168.4-76.3-74.6000111.1D19 K33 A34 K35 F99D19-F42 HydrophobicContact CB-CE1 4.44Å; K33-F42 HydrophobicContact CD-CD1 4.23Å; K33-F42 HydrophobicContact CG-CD1 3.74Å; K33-F42 HydrophobicContact CG-CE1 4.3Å; K33-F42 HydrophobicContact CG-CG 4.48Å; A34-F42 WeakPolarHBondContact O-CA 3.45Å; K35-F42 HydrophobicContact CB-CD1 3.92Å; K35-F42 HydrophobicContact CB-CE1 3.77Å; K35-F42 HydrophobicContact CB-CZ 4.38Å; K35-F42 HydrophobicContact CD-CZ 4.38Å; K35-F42 HydrophobicContact CG-CE1 4.43Å; F42-F99 HydrophobicContact CB-CB 4Å; F42-F99 HydrophobicContact CB-CD1 3.93Å; F42-F99 HydrophobicContact CB-CG 4.16Å; F42-F99 WeakPolarHBondContact O-CB 3.42Å
43V95.1Very high82.9Confident2 Ų267.2 Ų67.21%0.01233%0.332CS..EExtended strand (participates in β ladder)trans-126.2149177.2-65.10000110.6L17 K33 A34 W39 I45 I77 V96 M97L17-V43 HydrophobicContact CD2-CG2 3.87Å; K33-V43 WeakPolarHBondContact CA-O 3.44Å; A34-V43 PolarHBondContact N-O 3.49Å; A34-V43 WeakPolarHBondContact O-CG2 3.46Å; A34-V43 PolarHBondContact O-N 3.17Å; W39-V43 HydrophobicContact CE3-CG1 4.09Å; W39-V43 HydrophobicContact CZ3-CG1 4Å; V43-I45 HydrophobicContact CG2-CD1 4.35Å; V43-I45 HydrophobicContact CG2-CG1 4.16Å; V43-I77 HydrophobicContact CG1-CD1 4.41Å; V43-V96 HydrophobicContact CB-CG1 3.81Å; V43-V96 HydrophobicContact CG1-CG1 3.99Å; V43-V96 HydrophobicContact CG2-CG1 4Å; V43-M97 WeakPolarHBondContact CA-O 3.33Å
44A94.7Very high80.8Confident9 Ų968.8 Ų68.87%0.07435%0.345CS..EExtended strand (participates in β ladder)trans-91.4128.1168.400000109.6Y32 V96 M97Y32-A44 CarbonylContact O-C 3.58Å; Y32-A44 WeakPolarHBondContact O-CA 3.46Å; A44-V96 WeakPolarHBondContact O-CA 3.43Å; A44-M97 HydrophobicContact CB-CB 4.39Å; A44-M97 HydrophobicContact CB-CE 4.26Å; A44-M97 PolarHBondContact N-O 3Å; A44-M97 PolarHBondContact O-N 3.32Å
45I92.5Very high79Confident0 Ų069.6 Ų69.60%035%0.354CS..EExtended strand (participates in β ladder)trans-115.4107.3179.1-57172.1000108.5L17 W20 I31 Y32 A34 V43 L47 F80 L95L17-I45 HydrophobicContact CD1-CD1 3.35Å; L17-I45 HydrophobicContact CD2-CD1 4Å; L17-I45 HydrophobicContact CG-CD1 4.29Å; W20-I45 HydrophobicContact CE3-CD1 4.46Å; W20-I45 HydrophobicContact CH2-CD1 3.59Å; W20-I45 HydrophobicContact CZ2-CD1 4.18Å; W20-I45 HydrophobicContact CZ3-CD1 3.75Å; W20-I45 HydrophobicContact CZ3-CG2 4.43Å; I31-I45 WeakPolarHBondContact CA-O 3.33Å; Y32-I45 PolarHBondContact N-O 3.41Å; Y32-I45 PolarHBondContact O-N 2.98Å; A34-I45 HydrophobicContact CB-CD1 3.8Å; V43-I45 HydrophobicContact CG2-CD1 4.35Å; V43-I45 HydrophobicContact CG2-CG1 4.16Å; I45-L47 HydrophobicContact CG2-CD2 3.7Å; I45-L47 HydrophobicContact CG2-CG 4.36Å; I45-F80 HydrophobicContact CD1-CD2 4.48Å; I45-F80 HydrophobicContact CG2-CB 3.86Å; I45-F80 HydrophobicContact CG2-CD1 4.17Å; I45-F80 HydrophobicContact CG2-CD2 4.37Å; I45-F80 HydrophobicContact CG2-CG 3.86Å; I45-L95 VanDerWaalsContact CA-O 3.31Å; I45-L95 WeakPolarHBondContact CA-O 3.33Å
46K88.5Confident77.3Confident4 Ų472.3 Ų72.32%0.01737%0.367CS..EExtended strand (participates in β ladder)trans-96.5106.7177.1175.8-178.7171.7-171.40109.1I31 E61 G94 L95 M97 D164I31-K46 HydrophobicContact CG1-CB 4.5Å; I31-K46 HydrophobicContact CG1-CG 4.42Å; K46-E61 IonicContact NZ-OE1 3.06Å; K46-E61 PolarHBondContact NZ-OE1 3.3Å; K46-E61 IonicContact NZ-OE2 3.4Å; K46-G94 CarbonylContact O-C 3.45Å; K46-G94 WeakPolarHBondContact O-CA 3.06Å; K46-L95 PolarHBondContact N-O 3.48Å; K46-L95 PolarHBondContact O-N 3.19Å; K46-M97 HydrophobicContact CB-CE 3.59Å; K46-M97 HydrophobicContact CD-CE 4.18Å; K46-D164 IonicContact NZ-OD1 3.99Å; K46-D164 PolarHBondContact NZ-OD1 3.14Å
47L84.4Confident75.6Confident6 Ų673.5 Ų73.53%0.03138%0.378CS..EExtended strand (participates in β ladder)trans-83.4130.3177.6-55.5179.1000109.2G29 Q30 Y32 I45 F80 S84G29-L47 WeakPolarHBondContact CA-O 3.44Å; Q30-L47 PolarHBondContact N-O 3.47Å; Q30-L47 PolarHBondContact O-N 2.87Å; Y32-L47 HydrophobicContact CD2-CD1 3.75Å; Y32-L47 HydrophobicContact CD2-CG 4.18Å; Y32-L47 HydrophobicContact CE2-CD1 3.43Å; Y32-L47 VanDerWaalsContact CE2-CD1 3.43Å; Y32-L47 HydrophobicContact CE2-CG 4.3Å; I45-L47 HydrophobicContact CG2-CD2 3.7Å; I45-L47 HydrophobicContact CG2-CG 4.36Å; L47-F80 HydrophobicContact CD2-CD1 3.47Å; L47-F80 VanDerWaalsContact CD2-CD1 3.47Å; L47-F80 HydrophobicContact CD2-CE1 3.75Å; L47-F80 HydrophobicContact CD2-CG 4.42Å; L47-S84 VanDerWaalsContact CD1-CB 3.45Å
48L71.9Confident74.2Confident35 Ų3568 Ų6818%0.18336%0.358CS..EExtended strand (participates in β ladder)trans-81.8130-176.2-61.3178.1000110.8Y50 L58 L93L48-Y50 VanDerWaalsContact C-N 3.28Å; L48-Y50 PolarHBondContact O-N 2.82Å; L48-L58 HydrophobicContact CD1-CB 3.67Å; L48-L58 HydrophobicContact CD1-CD1 3.64Å; L48-L58 HydrophobicContact CD1-CG 4.26Å; L48-L93 PolarHBondContact N-O 3.3Å
49H61.3Low72.8Confident132 Ų13265.3 Ų65.361%0.61135%0.348SS*.SBendtrans-71.2-19.3-174-116.8-14.1000114.8G29G29-H49 VanDerWaalsContact CA-CD2 3.48Å; G29-H49 WeakPolarHBondContact CA-CD2 3.25Å
50Y53.4Low71.5Confident194 Ų19464.7 Ų64.776%0.76135%0.348SS*.  trans-127.4103.5179.2-91.8-93.9000109.7L48L48-Y50 VanDerWaalsContact C-N 3.28Å; L48-Y50 PolarHBondContact O-N 2.82Å
51D50.8Low70.1Confident106 Ų10660.4 Ų60.457%0.56732%0.319SS*.  trans-90.2111.5146.7-171.811.9000106.8G53D51-G53 PolarHBondContact O-N 2.88Å; D51-G53 VanDerWaalsContact OD1-CA 3.3Å; D51-G53 WeakPolarHBondContact OD1-CA 3.44Å; D51-G53 PolarHBondContact OD1-N 3.4Å
52D50.9Low68.9Low107 Ų10754.8 Ų54.857%0.57229%0.293SS*.  trans-80.78.8169.862.2-4.2000111.9T54D52-T54 VanDerWaalsContact C-N 3.29Å; D52-T54 WeakPolarHBondContact OD1-CA 3.25Å; D52-T54 VanDerWaalsContact OD1-CB 3.28Å; D52-T54 WeakPolarHBondContact OD1-CB 3.48Å; D52-T54 PolarHBondContact OD1-N 3.03Å; D52-T54 PolarHBondContact OD1-OG1 3.46Å; D52-T54 PolarHBondContact OD2-OG1 3.21Å; D52-T54 VanDerWaalsContact OD2-OG1 3.13Å
53G49.3Very low67.6Low66 Ų6654.6 Ų54.668%0.6830%0.295SS*.SBendtrans84.9-2.9-173.200000113.3D51D51-G53 PolarHBondContact O-N 2.88Å; D51-G53 VanDerWaalsContact OD1-CA 3.3Å; D51-G53 WeakPolarHBondContact OD1-CA 3.44Å; D51-G53 PolarHBondContact OD1-N 3.4Å
54T51.8Low66.1Low74 Ų7455.9 Ų55.945%0.45430%0.301SS..SBendtrans-108.1-15.4-174.379.80000113.8D52 Q56D52-T54 VanDerWaalsContact C-N 3.29Å; D52-T54 WeakPolarHBondContact OD1-CA 3.25Å; D52-T54 VanDerWaalsContact OD1-CB 3.28Å; D52-T54 WeakPolarHBondContact OD1-CB 3.48Å; D52-T54 PolarHBondContact OD1-N 3.03Å; D52-T54 PolarHBondContact OD1-OG1 3.46Å; D52-T54 PolarHBondContact OD2-OG1 3.21Å; D52-T54 VanDerWaalsContact OD2-OG1 3.13Å; T54-Q56 PolarHBondContact O-N 3.19Å; T54-Q56 VanDerWaalsContact O-N 3.07Å; T54-Q56 WeakPolarHBondContact OG1-CB 3.48Å; T54-Q56 WeakPolarHBondContact OG1-CG 3.26Å; T54-Q56 PolarHBondContact OG1-N 3.1Å
55G58.8Low64.7Low17 Ų1756.5 Ų56.518%0.17530%0.303CS..  trans61.29.8-176.100000115.2A57 L58 L59G55-A57 VanDerWaalsContact C-N 3.35Å; G55-A57 PolarHBondContact O-N 2.88Å; G55-L58 WeakPolarHBondContact O-CB 3.23Å; G55-L58 PolarHBondContact O-N 2.86Å; G55-L58 VanDerWaalsContact O-N 3.16Å; G55-L59 WeakPolarHBondContact O-CG 3.46Å; G55-L59 PolarHBondContact O-N 3.22Å
56Q60.6Low63.5Low114 Ų11460.6 Ų60.653%0.53332%0.322SS..Hα-helixtrans-64.8-34.3-171.2-71.4-66.1-48.900113.5T54 L59 H60T54-Q56 PolarHBondContact O-N 3.19Å; T54-Q56 VanDerWaalsContact O-N 3.07Å; T54-Q56 WeakPolarHBondContact OG1-CB 3.48Å; T54-Q56 WeakPolarHBondContact OG1-CG 3.26Å; T54-Q56 PolarHBondContact OG1-N 3.1Å; Q56-L59 PolarHBondContact O-N 3.42Å; Q56-H60 VanDerWaalsContact O-CB 3.28Å; Q56-H60 WeakPolarHBondContact O-CB 3.27Å; Q56-H60 PolarHBondContact O-N 3.42Å
57A59.6Low62.1Low29 Ų2963.5 Ų63.524%0.2434%0.336CS..Hα-helixtrans-63-43.9174.300000111.7G55 E61G55-A57 VanDerWaalsContact C-N 3.35Å; G55-A57 PolarHBondContact O-N 2.88Å; A57-E61 WeakPolarHBondContact O-CB 3.48Å; A57-E61 PolarHBondContact O-N 3.06Å
58L65.7Low60.7Low13 Ų1364.5 Ų64.57%0.06835%0.348CS..Hα-helixtrans-62.2-51.9174.4-177.673.6000110.7L48 G55 H60 E61 L62 I79 L93 L95L48-L58 HydrophobicContact CD1-CB 3.67Å; L48-L58 HydrophobicContact CD1-CD1 3.64Å; L48-L58 HydrophobicContact CD1-CG 4.26Å; G55-L58 WeakPolarHBondContact O-CB 3.23Å; G55-L58 PolarHBondContact O-N 2.86Å; G55-L58 VanDerWaalsContact O-N 3.16Å; L58-H60 VanDerWaalsContact C-N 3.27Å; L58-H60 PolarHBondContact O-N 3.14Å; L58-E61 PolarHBondContact O-N 3.07Å; L58-L62 HydrophobicContact CD1-CD1 4.31Å; L58-L62 HydrophobicContact CD1-CG 4.43Å; L58-L62 HydrophobicContact CD2-CD1 4.46Å; L58-L62 HydrophobicContact CG-CD1 3.9Å; L58-L62 HydrophobicContact CG-CG 4.35Å; L58-L62 WeakPolarHBondContact O-CB 3.46Å; L58-L62 WeakPolarHBondContact O-CG 3.49Å; L58-L62 PolarHBondContact O-N 2.88Å; L58-I79 HydrophobicContact CD2-CG2 4.09Å; L58-L93 HydrophobicContact CD2-CB 4.04Å; L58-L93 HydrophobicContact CD2-CD1 4Å; L58-L93 HydrophobicContact CD2-CG 4.42Å; L58-L95 HydrophobicContact CD1-CD2 3.55Å; L58-L95 HydrophobicContact CD1-CG 4.14Å
59L65.8Low60.6Low94 Ų9467 Ų6749%0.49237%0.368SS..Hα-helixtrans-59.4-37.7-179-69.9171.2000112.2G55 Q56 D63G55-L59 WeakPolarHBondContact O-CG 3.46Å; G55-L59 PolarHBondContact O-N 3.22Å; Q56-L59 PolarHBondContact O-N 3.42Å; L59-D63 WeakPolarHBondContact O-CB 3.27Å; L59-D63 PolarHBondContact O-N 3.25Å
60H64.1Low61.7Low56 Ų5662.7 Ų62.726%0.25935%0.349SS..Hα-helixtrans-71.7-42.1175.6-177.8-68000112.7Q56 L58 L62 D63 M64Q56-H60 VanDerWaalsContact O-CB 3.28Å; Q56-H60 WeakPolarHBondContact O-CB 3.27Å; Q56-H60 PolarHBondContact O-N 3.42Å; L58-H60 VanDerWaalsContact C-N 3.27Å; L58-H60 PolarHBondContact O-N 3.14Å; H60-L62 VanDerWaalsContact C-N 3.3Å; H60-L62 PolarHBondContact O-N 3.09Å; H60-D63 PolarHBondContact O-N 2.99Å; H60-M64 WeakPolarHBondContact O-CB 3.41Å; H60-M64 WeakPolarHBondContact O-CG 3.32Å; H60-M64 PolarHBondContact O-N 2.78Å
61E64.5Low63.5Low3 Ų363.2 Ų63.21%0.01435%0.35CS..Hα-helixtrans-63.6-40.2176.1-163.9169.9-176.200110.4K46 A57 L58 M65 L95 L167K46-E61 IonicContact NZ-OE1 3.06Å; K46-E61 PolarHBondContact NZ-OE1 3.3Å; K46-E61 IonicContact NZ-OE2 3.4Å; A57-E61 WeakPolarHBondContact O-CB 3.48Å; A57-E61 PolarHBondContact O-N 3.06Å; L58-E61 PolarHBondContact O-N 3.07Å; E61-M65 HydrophobicContact CG-CE 3.99Å; E61-M65 HydrophobicContact CG-SD 3.71Å; E61-M65 WeakPolarHBondContact O-CB 3.45Å; E61-M65 WeakPolarHBondContact O-CG 3.48Å; E61-M65 PolarHBondContact O-N 2.71Å; E61-L95 HydrophobicContact CB-CD1 4.25Å; E61-L95 HydrophobicContact CG-CD1 3.59Å; E61-L95 WeakPolarHBondContact OE1-CD1 3.35Å; E61-L95 WeakPolarHBondContact OE2-CD1 3.39Å; E61-L167 HydrophobicContact CG-CD2 4.4Å; E61-L167 HydrophobicContact CG-CG 4.47Å; E61-L167 WeakPolarHBondContact OE1-CD1 3.41Å
62L68.2Low65.6Low9 Ų959.1 Ų59.15%0.04733%0.328CS..Hα-helixtrans-64.3-46.7173.4-68.4177.9000113.7L9 L58 H60 M64 M65 Q66 V76 I79 L95L9-L62 HydrophobicContact CD1-CB 4.13Å; L9-L62 HydrophobicContact CD1-CD1 3.98Å; L9-L62 HydrophobicContact CD1-CD2 3.58Å; L9-L62 HydrophobicContact CD1-CG 4.09Å; L58-L62 HydrophobicContact CD1-CD1 4.31Å; L58-L62 HydrophobicContact CD1-CG 4.43Å; L58-L62 HydrophobicContact CD2-CD1 4.46Å; L58-L62 HydrophobicContact CG-CD1 3.9Å; L58-L62 HydrophobicContact CG-CG 4.35Å; L58-L62 WeakPolarHBondContact O-CB 3.46Å; L58-L62 WeakPolarHBondContact O-CG 3.49Å; L58-L62 PolarHBondContact O-N 2.88Å; H60-L62 VanDerWaalsContact C-N 3.3Å; H60-L62 PolarHBondContact O-N 3.09Å; L62-M64 VanDerWaalsContact C-N 3.32Å; L62-M64 PolarHBondContact O-N 2.75Å; L62-M65 CarbonylContact O-C 3.59Å; L62-M65 PolarHBondContact O-N 3.43Å; L62-M65 VanDerWaalsContact O-N 3.16Å; L62-Q66 WeakPolarHBondContact O-CB 3.43Å; L62-Q66 VanDerWaalsContact O-CG 3.31Å; L62-Q66 WeakPolarHBondContact O-CG 3.37Å; L62-Q66 PolarHBondContact O-N 2.85Å; L62-V76 HydrophobicContact CD2-CG1 3.92Å; L62-I79 HydrophobicContact CD1-CD1 3.42Å; L62-I79 VanDerWaalsContact CD1-CD1 3.42Å; L62-I79 HydrophobicContact CD1-CG1 3.69Å; L62-I79 HydrophobicContact CD2-CG1 4.19Å; L62-L95 HydrophobicContact CD2-CD2 3.29Å; L62-L95 HydrophobicContact CG-CD2 3.96Å
63D67.6Low67.5Low76 Ų7654.4 Ų54.441%0.40630%0.302SS..Hα-helixtrans-60-42.9177.5178.260.3000111.4L59 H60 M65 Q66 Q67L59-D63 WeakPolarHBondContact O-CB 3.27Å; L59-D63 PolarHBondContact O-N 3.25Å; H60-D63 PolarHBondContact O-N 2.99Å; D63-M65 VanDerWaalsContact C-N 3.31Å; D63-M65 PolarHBondContact O-N 3.31Å; D63-Q66 PolarHBondContact O-N 3.1Å; D63-Q67 WeakPolarHBondContact O-CG 3.36Å; D63-Q67 PolarHBondContact O-N 3.11Å; D63-Q67 PolarHBondContact O-NE2 2.94Å; D63-Q67 PolarHBondContact OD1-NE2 2.75Å; D63-Q67 PolarHBondContact OD2-NE2 2.74Å
64M64Low69.5Low29 Ų2951.4 Ų51.414%0.14327%0.271CS..Hα-helixtrans-65.4-32.3175.7-63.9-76.385.100113.2H60 L62 V142H60-M64 WeakPolarHBondContact O-CB 3.41Å; H60-M64 WeakPolarHBondContact O-CG 3.32Å; H60-M64 PolarHBondContact O-N 2.78Å; L62-M64 VanDerWaalsContact C-N 3.32Å; L62-M64 PolarHBondContact O-N 2.75Å; M64-V142 HydrophobicContact CE-CG2 4.38Å; M64-V142 HydrophobicContact SD-CG1 4.34Å; M64-V142 HydrophobicContact SD-CG2 3.96Å
65M66Low71Confident23 Ų2351.8 Ų51.811%0.11327%0.268CS..Hα-helixtrans-86.3-24.7179.7-76.9161.5167.900113.6E61 L62 D63 Q67 V76 L95 F165E61-M65 HydrophobicContact CG-CE 3.99Å; E61-M65 HydrophobicContact CG-SD 3.71Å; E61-M65 WeakPolarHBondContact O-CB 3.45Å; E61-M65 WeakPolarHBondContact O-CG 3.48Å; E61-M65 PolarHBondContact O-N 2.71Å; L62-M65 CarbonylContact O-C 3.59Å; L62-M65 PolarHBondContact O-N 3.43Å; L62-M65 VanDerWaalsContact O-N 3.16Å; D63-M65 VanDerWaalsContact C-N 3.31Å; D63-M65 PolarHBondContact O-N 3.31Å; M65-Q67 VanDerWaalsContact C-N 3.31Å; M65-V76 HydrophobicContact CB-CB 4.41Å; M65-V76 HydrophobicContact CB-CG2 4.28Å; M65-V76 HydrophobicContact CE-CG2 4.31Å; M65-V76 HydrophobicContact CG-CG2 4.21Å; M65-V76 HydrophobicContact SD-CB 4.32Å; M65-V76 HydrophobicContact SD-CG2 3.25Å; M65-V76 WeakPolarHBondContact SD-CG2 3.47Å; M65-L95 HydrophobicContact SD-CD1 4.2Å; M65-F165 HydrophobicContact CE-CD1 4.32Å; M65-F165 HydrophobicContact CE-CE1 3.71Å; M65-F165 HydrophobicContact CE-CE2 4.29Å; M65-F165 HydrophobicContact CE-CZ 3.73Å; M65-F165 HydrophobicContact CG-CE1 4.33Å; M65-F165 HydrophobicContact CG-CE2 3.69Å; M65-F165 HydrophobicContact CG-CZ 3.42Å; M65-F165 VanDerWaalsContact CG-CZ 3.42Å; M65-F165 HydrophobicContact SD-CZ 4.44Å
66Q65.3Low72.2Confident86 Ų8651.7 Ų51.740%0.40226%0.263SS..Hα-helixtrans-73.3-20.9174.6-80.1-174.8-3400113.4L9 L62 D63 G68L9-Q66 HydrophobicContact CD1-CG 4.04Å; L9-Q66 VanDerWaalsContact CD1-NE2 3.28Å; L9-Q66 HydrophobicContact CG-CG 4.37Å; L62-Q66 WeakPolarHBondContact O-CB 3.43Å; L62-Q66 VanDerWaalsContact O-CG 3.31Å; L62-Q66 WeakPolarHBondContact O-CG 3.37Å; L62-Q66 PolarHBondContact O-N 2.85Å; D63-Q66 PolarHBondContact O-N 3.1Å; Q66-G68 PolarHBondContact O-N 3.24Å; Q66-G68 VanDerWaalsContact O-N 3.16Å
67Q60.6Low73.4Confident64 Ų6448.1 Ų48.130%0.29925%0.248SC..THydrogen-bonded Turntrans-71.9-2.3-177.2-74171.940.600114.5D63 M65 I138D63-Q67 WeakPolarHBondContact O-CG 3.36Å; D63-Q67 PolarHBondContact O-N 3.11Å; D63-Q67 PolarHBondContact O-NE2 2.94Å; D63-Q67 PolarHBondContact OD1-NE2 2.75Å; D63-Q67 PolarHBondContact OD2-NE2 2.74Å; M65-Q67 VanDerWaalsContact C-N 3.31Å; Q67-I138 HydrophobicContact CB-CG2 4.04Å
68G55.4Low74.7Confident27 Ų2746.7 Ų46.728%0.27824%0.236SC..  trans160.2139.715200000114.8Q66 F134Q66-G68 PolarHBondContact O-N 3.24Å; Q66-G68 VanDerWaalsContact O-N 3.16Å; G68-F134 WeakPolarHBondContact O-CE1 3.37Å; G68-F134 WeakPolarHBondContact O-CZ 3.35Å
69S67.9Low75.8Confident88 Ų8847.6 Ų47.662%0.61524%0.241SC*.  trans-72.2129.8168.6177.20000110.3Q75S69-Q75 PolarHBondContact OG-OE1 3.41Å
70N85.6Confident76.9Confident41 Ų4143.1 Ų43.122%0.21922%0.217CC..  trans-135139.3174.6-177.6-79.3000109.6H72 V73 F134N70-H72 PolarHBondContact O-N 3.1Å; N70-H72 PolarHBondContact OD1-N 3.05Å; N70-V73 HydrophobicContact CB-CB 4.22Å; N70-V73 HydrophobicContact CB-CG2 4.2Å; N70-V73 PolarHBondContact O-N 2.98Å; N70-V73 VanDerWaalsContact O-N 3.08Å; N70-F134 HydrophobicContact CB-CB 4.41Å; N70-F134 HydrophobicContact CB-CD1 3.45Å; N70-F134 VanDerWaalsContact CB-CD1 3.45Å; N70-F134 HydrophobicContact CB-CD2 3.93Å; N70-F134 HydrophobicContact CB-CE1 3.54Å; N70-F134 HydrophobicContact CB-CE2 4.02Å; N70-F134 HydrophobicContact CB-CG 3.64Å; N70-F134 HydrophobicContact CB-CZ 3.84Å; N70-F134 WeakPolarHBondContact ND2-CB 3.46Å; N70-F134 VanDerWaalsContact ND2-CD2 3.35Å; N70-F134 WeakPolarHBondContact ND2-CD2 3.16Å; N70-F134 VanDerWaalsContact ND2-CG 3.3Å; N70-F134 WeakPolarHBondContact ND2-CG 3.28Å
71R90.8Very high78.2Confident205 Ų20546 Ų4677%0.77423%0.229SC*.THydrogen-bonded Turntrans-56.6-23.1-177.4-174174.8-70.2178.6-2.7114.4
72H95Very high79.3Confident21 Ų2146 Ų4610%0.09723%0.23CC..THydrogen-bonded Turntrans-112.516.6-176.4-56.1-52.9000113.5N70 Q127 A160 K161 L162N70-H72 PolarHBondContact O-N 3.1Å; N70-H72 PolarHBondContact OD1-N 3.05Å; H72-Q127 VanDerWaalsContact CB-O 3.3Å; H72-Q127 WeakPolarHBondContact CB-O 3.5Å; H72-Q127 VanDerWaalsContact CE1-CG 3.49Å; H72-Q127 WeakPolarHBondContact CE1-CG 3.44Å; H72-A160 PolarHBondContact ND1-O 3.07Å; H72-K161 WeakPolarHBondContact O-CA 3.37Å; H72-L162 PolarHBondContact O-N 3.48Å
73V91.9Very high80.2Confident7 Ų749.8 Ų49.84%0.04225%0.247CC..BIsolated β-bridgetrans-129.9134.8172.6-179.40000107.5N70 Q75 F134 L135 F165N70-V73 HydrophobicContact CB-CB 4.22Å; N70-V73 HydrophobicContact CB-CG2 4.2Å; N70-V73 PolarHBondContact O-N 2.98Å; N70-V73 VanDerWaalsContact O-N 3.08Å; V73-Q75 PolarHBondContact O-N 2.84Å; V73-F134 HydrophobicContact CG2-CD1 3.88Å; V73-F134 HydrophobicContact CG2-CE1 4.5Å; V73-L135 HydrophobicContact CG1-CD2 4.25Å; V73-L135 HydrophobicContact CG2-CD2 4.28Å; V73-L135 HydrophobicContact CG2-CG 4.17Å; V73-F165 HydrophobicContact CG1-CD1 3.88Å; V73-F165 HydrophobicContact CG1-CE1 3.13Å; V73-F165 HydrophobicContact CG1-CE2 4.25Å; V73-F165 HydrophobicContact CG1-CZ 3.32Å
74L89.9Confident80.8Confident4 Ų446.5 Ų46.52%0.02123%0.23CC..PPolyproline II helixtrans-65.8126.9-176-172.268.3000109.9M97 D98 M100 L153 K161 L162 T163L74-M97 HydrophobicContact CD2-CB 4.04Å; L74-M97 HydrophobicContact CD2-CE 4.37Å; L74-M97 HydrophobicContact CD2-CG 4.23Å; L74-M97 HydrophobicContact CD2-SD 3.57Å; L74-M97 VanDerWaalsContact CD2-SD 3.57Å; L74-M97 HydrophobicContact CG-CB 4.26Å; L74-M97 HydrophobicContact CG-SD 4.42Å; L74-D98 HydrophobicContact CD1-CB 4.12Å; L74-M100 HydrophobicContact CD1-CG 3.79Å; L74-M100 HydrophobicContact CD1-SD 3.84Å; L74-L153 HydrophobicContact CD2-CD1 3.89Å; L74-K161 HydrophobicContact CB-CB 4.41Å; L74-K161 HydrophobicContact CD1-CD 4.06Å; L74-L162 WeakPolarHBondContact CB-O 3.37Å; L74-L162 PolarHBondContact N-O 3.43Å; L74-T163 WeakPolarHBondContact CD2-OG1 3.45Å
75Q82.8Confident81.6Confident82 Ų8249.1 Ų49.138%0.38325%0.25SC..PPolyproline II helixtrans-85.7131.3-179.2179.7170.7-41.200110.7S69 V73 M97S69-Q75 PolarHBondContact OG-OE1 3.41Å; V73-Q75 PolarHBondContact O-N 2.84Å; Q75-M97 WeakPolarHBondContact O-CA 3.27Å
76V85.3Confident82Confident14 Ų1451.2 Ų51.29%0.08527%0.266CS..EExtended strand (participates in β ladder)trans-80.4121.7160.4171.50000108.8L9 L62 M65 G78 L95 V96 M97L9-V76 HydrophobicContact CD2-CG1 3.95Å; L62-V76 HydrophobicContact CD2-CG1 3.92Å; M65-V76 HydrophobicContact CB-CB 4.41Å; M65-V76 HydrophobicContact CB-CG2 4.28Å; M65-V76 HydrophobicContact CE-CG2 4.31Å; M65-V76 HydrophobicContact CG-CG2 4.21Å; M65-V76 HydrophobicContact SD-CB 4.32Å; M65-V76 HydrophobicContact SD-CG2 3.25Å; M65-V76 WeakPolarHBondContact SD-CG2 3.47Å; V76-G78 VanDerWaalsContact CG1-O 3.26Å; V76-G78 WeakPolarHBondContact CG1-O 3.31Å; V76-L95 HydrophobicContact CG1-CD2 4.22Å; V76-L95 HydrophobicContact CG2-CB 4.28Å; V76-L95 HydrophobicContact CG2-CD1 4.2Å; V76-L95 HydrophobicContact CG2-CD2 4.41Å; V76-V96 CarbonylContact C-O 3.53Å; V76-M97 HydrophobicContact CG2-CG 3.82Å; V76-M97 HydrophobicContact CG2-SD 4.41Å
77I85.4Confident82Confident39 Ų3948 Ų4820%0.225%0.254CS..EExtended strand (participates in β ladder)trans-86.2-30.9177.3-46.5172.8000110.1W39 V43 V96 D98W39-I77 HydrophobicContact CH2-CG2 3.78Å; W39-I77 HydrophobicContact CZ3-CB 4.47Å; W39-I77 HydrophobicContact CZ3-CD1 4.41Å; W39-I77 HydrophobicContact CZ3-CG2 3.77Å; V43-I77 HydrophobicContact CG1-CD1 4.41Å; I77-V96 PolarHBondContact N-O 2.82Å; I77-D98 WeakPolarHBondContact CD1-OD1 3.16Å
78G87.1Confident82.6Confident0 Ų047.6 Ų47.60%027%0.267CS..EExtended strand (participates in β ladder)trans-174.3-176.2-175.100000115K10 V76 V96K10-G78 CarbonylContact O-C 3.42Å; K10-G78 WeakPolarHBondContact O-CA 3.47Å; V76-G78 VanDerWaalsContact CG1-O 3.26Å; V76-G78 WeakPolarHBondContact CG1-O 3.31Å; G78-V96 PolarHBondContact N-O 3.42Å; G78-V96 PolarHBondContact O-N 3.39Å
79I88.1Confident83.4Confident32 Ų3251.4 Ų51.416%0.16429%0.289CS..EExtended strand (participates in β ladder)trans-108.2126.2178.2-52.8172.2000107.6L9 K10 V11 V12 L58 L62 G94L9-I79 HydrophobicContact CB-CD1 4.35Å; L9-I79 HydrophobicContact CB-CG1 4.24Å; L9-I79 HydrophobicContact CD1-CD1 4.33Å; L9-I79 HydrophobicContact CD1-CG1 4.35Å; K10-I79 PolarHBondContact O-N 3.33Å; V11-I79 CarbonylContact C-O 3.57Å; V11-I79 WeakPolarHBondContact CA-O 3.43Å; V12-I79 PolarHBondContact N-O 2.86Å; L58-I79 HydrophobicContact CD2-CG2 4.09Å; L62-I79 HydrophobicContact CD1-CD1 3.42Å; L62-I79 VanDerWaalsContact CD1-CD1 3.42Å; L62-I79 HydrophobicContact CD1-CG1 3.69Å; L62-I79 HydrophobicContact CD2-CG1 4.19Å; I79-G94 CarbonylContact C-O 3.58Å; I79-G94 WeakPolarHBondContact CA-O 3.45Å
80F90.3Very high83.9Confident0 Ų050.1 Ų50.10%028%0.28CS..EExtended strand (participates in β ladder)trans-78.4131.2167.1175.6-104.3000109.3V12 D14 L17 W20 I45 L47 G82 L93 G94 V96V12-F80 CarbonylContact O-C 3.6Å; V12-F80 WeakPolarHBondContact O-CA 3.39Å; D14-F80 HydrophobicContact CB-CE2 4.41Å; D14-F80 HydrophobicContact CB-CZ 4.42Å; L17-F80 HydrophobicContact CD1-CD2 3.85Å; L17-F80 HydrophobicContact CD1-CE2 3.79Å; W20-F80 HydrophobicContact CH2-CD2 4.31Å; W20-F80 HydrophobicContact CH2-CE1 4.43Å; W20-F80 AromaticContact CH2-CE2 3.64Å; W20-F80 HydrophobicContact CH2-CE2 3.64Å; W20-F80 AromaticContact CH2-CZ 3.69Å; W20-F80 HydrophobicContact CH2-CZ 3.69Å; W20-F80 AromaticContact CZ2-CE2 3.99Å; W20-F80 HydrophobicContact CZ2-CE2 3.99Å; W20-F80 HydrophobicContact CZ2-CZ 4.25Å; I45-F80 HydrophobicContact CD1-CD2 4.48Å; I45-F80 HydrophobicContact CG2-CB 3.86Å; I45-F80 HydrophobicContact CG2-CD1 4.17Å; I45-F80 HydrophobicContact CG2-CD2 4.37Å; I45-F80 HydrophobicContact CG2-CG 3.86Å; L47-F80 HydrophobicContact CD2-CD1 3.47Å; L47-F80 VanDerWaalsContact CD2-CD1 3.47Å; L47-F80 HydrophobicContact CD2-CE1 3.75Å; L47-F80 HydrophobicContact CD2-CG 4.42Å; F80-G82 WeakPolarHBondContact CE1-O 3.45Å; F80-L93 WeakPolarHBondContact O-CA 3.42Å; F80-G94 PolarHBondContact N-O 2.95Å; F80-G94 PolarHBondContact O-N 3.14Å; F80-V96 HydrophobicContact CB-CG2 3.91Å
81K89.8Confident83.7Confident116 Ų11653.8 Ų53.850%0.50430%0.298SS..EExtended strand (participates in β ladder)trans-141.198.3169.7-177174.3-179173.50109.5V11 V12 I91 Q92 L93V11-K81 HydrophobicContact CG1-CB 4.03Å; V12-K81 PolarHBondContact O-N 3.37Å; K81-I91 HydrophobicContact CG-CG2 4Å; K81-Q92 WeakPolarHBondContact CA-O 3.46Å; K81-L93 HydrophobicContact CB-CD2 3.83Å; K81-L93 HydrophobicContact CD-CD2 3.98Å; K81-L93 HydrophobicContact CG-CD2 3.73Å
82G88.6Confident83.4Confident4 Ų446.8 Ų46.84%0.04127%0.274CS..EExtended strand (participates in β ladder)trans-172.3-174.9-175.200000112.8D14 F80 Q92D14-G82 WeakPolarHBondContact OD1-CA 3.47Å; F80-G82 WeakPolarHBondContact CE1-O 3.45Å; G82-Q92 PolarHBondContact N-O 3.34Å; G82-Q92 PolarHBondContact O-N 3.49Å
83Q87.3Confident82.8Confident87 Ų8748.3 Ų48.341%0.40728%0.283SS..EExtended strand (participates in β ladder)trans-83.6135.7169.6-70.4173.5-11.500109.6D14 S89D14-Q83 WeakPolarHBondContact CB-O 3.37Å; D14-Q83 PolarHBondContact OD1-N 2.97Å; D14-Q83 VanDerWaalsContact OD1-N 3.08Å; Q83-S89 PolarHBondContact NE2-O 3.09Å
84S80.9Confident82.6Confident7 Ų748 Ų485%0.04928%0.281CS..  trans-97.1159173.578.80000110.8L47 S86 S87 Q92L47-S84 VanDerWaalsContact CD1-CB 3.45Å; S84-S86 PolarHBondContact O-N 3.2Å; S84-S86 PolarHBondContact OG-OG 3.4Å; S84-S87 PolarHBondContact N-OG 3.12Å; S84-S87 VanDerWaalsContact N-OG 3.1Å; S84-S87 PolarHBondContact O-N 2.91Å; S84-S87 VanDerWaalsContact O-N 3.13Å; S84-S87 PolarHBondContact O-OG 2.65Å; S84-S87 WeakPolarHBondContact OG-CB 3.42Å; S84-S87 PolarHBondContact OG-N 2.93Å; S84-S87 PolarHBondContact OG-OG 3.41Å; S84-Q92 VanDerWaalsContact CB-OE1 3.32Å; S84-Q92 PolarHBondContact OG-OE1 3.4Å
85P80.7Confident82.4Confident84 Ų8447.8 Ų47.855%0.54528%0.28SS..THydrogen-bonded Turntrans-58.5-18.2179.3-25.234.1000115W20 Y32W20-P85 HydrophobicContact CB-CG 3.71Å; W20-P85 HydrophobicContact CD2-CG 3.74Å; W20-P85 HydrophobicContact CE3-CG 3.86Å; W20-P85 HydrophobicContact CG-CG 3.72Å; Y32-P85 HydrophobicContact CE1-CB 4.39Å; Y32-P85 HydrophobicContact CE1-CG 4.09Å
86S73.3Confident82.8Confident67 Ų6743.9 Ų43.947%0.46926%0.262SS..THydrogen-bonded Turntrans-102.4-13.1179.165.20000114.6Q30 Y32 S84Q30-S86 PolarHBondContact OE1-OG 3.37Å; Y32-S86 VanDerWaalsContact OH-CB 3.23Å; Y32-S86 WeakPolarHBondContact OH-CB 3.26Å; Y32-S86 PolarHBondContact OH-OG 2.64Å; S84-S86 PolarHBondContact O-N 3.2Å; S84-S86 PolarHBondContact OG-OG 3.4Å
87S66.5Low83.1Confident20 Ų2043.5 Ų43.514%0.1426%0.259CS..SBendtrans-94.74.1-167.274.80000115.7S84 S89 S90 Q92S84-S87 PolarHBondContact N-OG 3.12Å; S84-S87 VanDerWaalsContact N-OG 3.1Å; S84-S87 PolarHBondContact O-N 2.91Å; S84-S87 VanDerWaalsContact O-N 3.13Å; S84-S87 PolarHBondContact O-OG 2.65Å; S84-S87 WeakPolarHBondContact OG-CB 3.42Å; S84-S87 PolarHBondContact OG-N 2.93Å; S84-S87 PolarHBondContact OG-OG 3.41Å; S87-S89 PolarHBondContact O-N 3.19Å; S87-S90 WeakPolarHBondContact CB-OG 3.42Å; S87-S90 PolarHBondContact O-N 3.41Å; S87-S90 PolarHBondContact O-OG 3.06Å; S87-S90 PolarHBondContact OG-O 2.75Å; S87-Q92 VanDerWaalsContact CB-OE1 3.26Å
88G71.2Confident83.4Confident55 Ų5543.9 Ų43.957%0.56726%0.261SS*.THydrogen-bonded Turntrans56.3-132.3-172.700000110.8S90G88-S90 VanDerWaalsContact C-N 3.3Å; G88-S90 PolarHBondContact O-N 3Å
89S72.8Confident83.7Confident107 Ų10746 Ų4675%0.74827%0.271SS*.THydrogen-bonded Turntrans-82.30.7-178.3-480000114.9Q83 S87Q83-S89 PolarHBondContact NE2-O 3.09Å; S87-S89 PolarHBondContact O-N 3.19Å
90S79.6Confident84Confident60 Ų6044.9 Ų44.942%0.4227%0.265SS..  trans-80.2131.1-176.764.70000112.3S87 G88S87-S90 WeakPolarHBondContact CB-OG 3.42Å; S87-S90 PolarHBondContact O-N 3.41Å; S87-S90 PolarHBondContact O-OG 3.06Å; S87-S90 PolarHBondContact OG-O 2.75Å; G88-S90 VanDerWaalsContact C-N 3.3Å; G88-S90 PolarHBondContact O-N 3Å
91I81.3Confident84.2Confident118 Ų11848.8 Ų48.861%0.60528%0.283SS*.EExtended strand (participates in β ladder)trans-73.1128.5171.7-61.3173.3000108K81K81-I91 HydrophobicContact CG-CG2 4Å
92Q83.7Confident84.5Confident58 Ų5845.4 Ų45.427%0.27127%0.267SS..EExtended strand (participates in β ladder)trans-115.1154.8176.6-67.3-175-40.900111K81 G82 S84 S87K81-Q92 WeakPolarHBondContact CA-O 3.46Å; G82-Q92 PolarHBondContact N-O 3.34Å; G82-Q92 PolarHBondContact O-N 3.49Å; S84-Q92 VanDerWaalsContact CB-OE1 3.32Å; S84-Q92 PolarHBondContact OG-OE1 3.4Å; S87-Q92 VanDerWaalsContact CB-OE1 3.26Å
93L83.3Confident84.8Confident54 Ų5446.4 Ų46.428%0.28328%0.278SS..EExtended strand (participates in β ladder)trans-108.5143.6172-64.7171.4000109.9L48 L58 F80 K81L48-L93 PolarHBondContact N-O 3.3Å; L58-L93 HydrophobicContact CD2-CB 4.04Å; L58-L93 HydrophobicContact CD2-CD1 4Å; L58-L93 HydrophobicContact CD2-CG 4.42Å; F80-L93 WeakPolarHBondContact O-CA 3.42Å; K81-L93 HydrophobicContact CB-CD2 3.83Å; K81-L93 HydrophobicContact CD-CD2 3.98Å; K81-L93 HydrophobicContact CG-CD2 3.73Å
94G86.1Confident85.2Confident0 Ų042.7 Ų42.70%026%0.262CS..EExtended strand (participates in β ladder)trans-159.1-179.8177.600000112.8K46 I79 F80K46-G94 CarbonylContact O-C 3.45Å; K46-G94 WeakPolarHBondContact O-CA 3.06Å; I79-G94 CarbonylContact C-O 3.58Å; I79-G94 WeakPolarHBondContact CA-O 3.45Å; F80-G94 PolarHBondContact N-O 2.95Å; F80-G94 PolarHBondContact O-N 3.14Å
95L87.3Confident86Confident0 Ų042.4 Ų42.40%026%0.26CS..EExtended strand (participates in β ladder)trans-107.4132.1177.9-62.3179.6000110.4I45 K46 L58 E61 L62 M65 V76 M97I45-L95 VanDerWaalsContact CA-O 3.31Å; I45-L95 WeakPolarHBondContact CA-O 3.33Å; K46-L95 PolarHBondContact N-O 3.48Å; K46-L95 PolarHBondContact O-N 3.19Å; L58-L95 HydrophobicContact CD1-CD2 3.55Å; L58-L95 HydrophobicContact CD1-CG 4.14Å; E61-L95 HydrophobicContact CB-CD1 4.25Å; E61-L95 HydrophobicContact CG-CD1 3.59Å; E61-L95 WeakPolarHBondContact OE1-CD1 3.35Å; E61-L95 WeakPolarHBondContact OE2-CD1 3.39Å; L62-L95 HydrophobicContact CD2-CD2 3.29Å; L62-L95 HydrophobicContact CG-CD2 3.96Å; M65-L95 HydrophobicContact SD-CD1 4.2Å; V76-L95 HydrophobicContact CG1-CD2 4.22Å; V76-L95 HydrophobicContact CG2-CB 4.28Å; V76-L95 HydrophobicContact CG2-CD1 4.2Å; V76-L95 HydrophobicContact CG2-CD2 4.41Å; L95-M97 HydrophobicContact CB-CG 4.44Å; L95-M97 HydrophobicContact CB-SD 4.49Å
96V90.6Very high86.6Confident0 Ų040 Ų400%025%0.246CC..EExtended strand (participates in β ladder)trans-99120.8172.8-174.20000108.1V12 W39 V43 A44 V76 I77 G78 F80V12-V96 HydrophobicContact CB-CG2 4Å; V12-V96 HydrophobicContact CG2-CG1 4.48Å; V12-V96 HydrophobicContact CG2-CG2 3.99Å; W39-V96 HydrophobicContact CZ3-CG1 4.33Å; V43-V96 HydrophobicContact CB-CG1 3.81Å; V43-V96 HydrophobicContact CG1-CG1 3.99Å; V43-V96 HydrophobicContact CG2-CG1 4Å; A44-V96 WeakPolarHBondContact O-CA 3.43Å; V76-V96 CarbonylContact C-O 3.53Å; I77-V96 PolarHBondContact N-O 2.82Å; G78-V96 PolarHBondContact N-O 3.42Å; G78-V96 PolarHBondContact O-N 3.39Å; F80-V96 HydrophobicContact CB-CG2 3.91Å
97M91.1Very high87.6Confident6 Ų640.4 Ų40.43%0.0324%0.243CC..EExtended strand (participates in β ladder)trans-129.8164.9-173.9-60.6169.8-61.800110.1V43 A44 K46 L74 Q75 V76 L95 F99V43-M97 WeakPolarHBondContact CA-O 3.33Å; A44-M97 HydrophobicContact CB-CB 4.39Å; A44-M97 HydrophobicContact CB-CE 4.26Å; A44-M97 PolarHBondContact N-O 3Å; A44-M97 PolarHBondContact O-N 3.32Å; K46-M97 HydrophobicContact CB-CE 3.59Å; K46-M97 HydrophobicContact CD-CE 4.18Å; L74-M97 HydrophobicContact CD2-CB 4.04Å; L74-M97 HydrophobicContact CD2-CE 4.37Å; L74-M97 HydrophobicContact CD2-CG 4.23Å; L74-M97 HydrophobicContact CD2-SD 3.57Å; L74-M97 VanDerWaalsContact CD2-SD 3.57Å; L74-M97 HydrophobicContact CG-CB 4.26Å; L74-M97 HydrophobicContact CG-SD 4.42Å; Q75-M97 WeakPolarHBondContact O-CA 3.27Å; V76-M97 HydrophobicContact CG2-CG 3.82Å; V76-M97 HydrophobicContact CG2-SD 4.41Å; L95-M97 HydrophobicContact CB-CG 4.44Å; L95-M97 HydrophobicContact CB-SD 4.49Å; M97-F99 PolarHBondContact O-N 3.12Å
98D91.3Very high89Confident46 Ų4639.5 Ų39.525%0.24624%0.237CC..EExtended strand (participates in β ladder)trans-51.6131.7166.3-59.1-23.8000109.3L74 I77 M100 K161L74-D98 HydrophobicContact CD1-CB 4.12Å; I77-D98 WeakPolarHBondContact CD1-OD1 3.16Å; D98-M100 HydrophobicContact CB-SD 4.33Å; D98-K161 IonicContact OD2-NZ 3.41Å; D98-K161 PolarHBondContact OD2-NZ 3.19Å
99F94.1Very high90.1Very high45 Ų4537.8 Ų37.820%0.19721%0.214CC..  trans-73.5136.6165.3180-114.1000109.1I23 K33 F42 M97 E101I23-F99 HydrophobicContact CD1-CD2 4.17Å; I23-F99 HydrophobicContact CD1-CE2 3.81Å; K33-F99 HydrophobicContact CB-CD2 4.23Å; K33-F99 HydrophobicContact CB-CE2 4.08Å; K33-F99 HydrophobicContact CD-CD2 4.39Å; K33-F99 HydrophobicContact CD-CE1 4.02Å; K33-F99 HydrophobicContact CD-CE2 3.87Å; K33-F99 HydrophobicContact CD-CZ 3.68Å; K33-F99 HydrophobicContact CG-CD2 4.21Å; K33-F99 HydrophobicContact CG-CE2 4.14Å; K33-F99 HydrophobicContact CG-CZ 4.38Å; F42-F99 HydrophobicContact CB-CB 4Å; F42-F99 HydrophobicContact CB-CD1 3.93Å; F42-F99 HydrophobicContact CB-CG 4.16Å; F42-F99 WeakPolarHBondContact O-CB 3.42Å; M97-F99 PolarHBondContact O-N 3.12Å; F99-E101 HydrophobicContact CD1-CG 3.97Å; F99-E101 HydrophobicContact CE1-CB 4.16Å; F99-E101 HydrophobicContact CE1-CG 4.02Å
100M95.1Very high91.1Very high9 Ų939.9 Ų39.94%0.04421%0.212CC..  trans-114.298.3-174.5-62-67.1-69.400107.8L74 D98 R102 G103 L153 L154 D155 K161L74-M100 HydrophobicContact CD1-CG 3.79Å; L74-M100 HydrophobicContact CD1-SD 3.84Å; D98-M100 HydrophobicContact CB-SD 4.33Å; M100-R102 VanDerWaalsContact C-N 3.25Å; M100-R102 PolarHBondContact O-N 2.97Å; M100-G103 PolarHBondContact O-N 3.14Å; M100-G103 VanDerWaalsContact O-N 3.08Å; M100-L153 HydrophobicContact CB-CB 3.8Å; M100-L153 HydrophobicContact CB-CD1 4.17Å; M100-L153 HydrophobicContact CE-CB 3.96Å; M100-L153 HydrophobicContact CG-CB 3.72Å; M100-L153 HydrophobicContact CG-CD1 3.84Å; M100-L153 HydrophobicContact CG-CG 4.46Å; M100-L154 CarbonylContact C-O 3.34Å; M100-D155 HydrophobicContact CE-CB 4Å; M100-D155 VanDerWaalsContact CE-N 3.34Å; M100-D155 HydrophobicContact SD-CB 4.42Å; M100-K161 HydrophobicContact CE-CB 3.9Å; M100-K161 HydrophobicContact CE-CD 3.66Å; M100-K161 HydrophobicContact CE-CG 3.7Å; M100-K161 HydrophobicContact SD-CD 3.79Å; M100-K161 HydrophobicContact SD-CG 4.49Å
101E94.5Very high91.8Very high82 Ų8238.7 Ų38.738%0.38320%0.203SC..THydrogen-bonded Turntrans-67.9-24.5-158.5-49.794.9130.200113.3F99 G103 L154 D155 S156F99-E101 HydrophobicContact CD1-CG 3.97Å; F99-E101 HydrophobicContact CE1-CB 4.16Å; F99-E101 HydrophobicContact CE1-CG 4.02Å; E101-G103 VanDerWaalsContact C-N 3.34Å; E101-L154 PolarHBondContact N-O 2.9Å; E101-D155 WeakPolarHBondContact OE2-CA 3.43Å; E101-S156 VanDerWaalsContact OE1-CB 3.28Å; E101-S156 WeakPolarHBondContact OE1-CB 3.35Å; E101-S156 PolarHBondContact OE1-OG 3.38Å; E101-S156 PolarHBondContact OE2-N 3.45Å
102R95.8Very high92.4Very high44 Ų4434.5 Ų34.517%0.16618%0.181CC..THydrogen-bonded Turntrans-97.716.1179.6-54.2-52.7-171.5171.17.5112.8M100 L154 D155 L158 L306 L309 D310 E313M100-R102 VanDerWaalsContact C-N 3.25Å; M100-R102 PolarHBondContact O-N 2.97Å; R102-L154 HydrophobicContact CB-CB 3.87Å; R102-L154 PolarHBondContact N-O 2.91Å; R102-L154 VanDerWaalsContact N-O 3.09Å; R102-D155 WeakPolarHBondContact CG-O 3.47Å; R102-L158 HydrophobicContact CB-CD2 3.69Å; R102-L158 HydrophobicContact CG-CD2 3.79Å; R102-L306 HydrophobicContact CG-CD2 4.42Å; R102-L309 HydrophobicContact CB-CD1 4.29Å; R102-L309 HydrophobicContact CG-CD1 4.32Å; R102-D310 IonicContact CZ-OD1 2.74Å; R102-D310 IonicContact NH1-OD1 3.02Å; R102-D310 PolarHBondContact NH1-OD1 3.07Å; R102-D310 IonicContact NH2-OD1 3.77Å; R102-D310 PolarHBondContact NH2-OD1 3.3Å; R102-D310 IonicContact NH2-OD2 3.19Å; R102-E313 IonicContact NH1-OE1 2.74Å; R102-E313 PolarHBondContact NH1-OE1 3.48Å; R102-E313 IonicContact NH1-OE2 2.75Å
103G94.3Very high92.7Very high26 Ų2640.6 Ų40.627%0.26821%0.209SC..  trans67.2-143.217400000112.5M100 E101 L153 L154M100-G103 PolarHBondContact O-N 3.14Å; M100-G103 VanDerWaalsContact O-N 3.08Å; E101-G103 VanDerWaalsContact C-N 3.34Å; G103-L153 CarbonylContact O-C 3.58Å; G103-L153 WeakPolarHBondContact O-CA 3.29Å; G103-L154 PolarHBondContact O-N 3.09Å
104S95.7Very high93Very high9 Ų938.8 Ų38.86%0.06320%0.204CC..BIsolated β-bridgetrans-97.8163.8175.476.10000112.8A106 D107 L108 V152S104-A106 PolarHBondContact O-N 3.43Å; S104-A106 WeakPolarHBondContact OG-CB 3.45Å; S104-A106 PolarHBondContact OG-N 3.47Å; S104-D107 WeakPolarHBondContact CA-OD2 3.27Å; S104-D107 VanDerWaalsContact CB-OD2 3.29Å; S104-D107 WeakPolarHBondContact CB-OD2 3.48Å; S104-D107 PolarHBondContact N-OD2 2.91Å; S104-D107 WeakPolarHBondContact O-CB 3.36Å; S104-D107 PolarHBondContact O-N 3.3Å; S104-D107 PolarHBondContact OG-N 2.96Å; S104-D107 PolarHBondContact OG-OD2 3.3Å; S104-L108 PolarHBondContact O-N 3.45Å; S104-V152 CarbonylContact C-O 3.58Å; S104-V152 VanDerWaalsContact CA-O 3.3Å; S104-V152 WeakPolarHBondContact CA-O 3.45Å
105L97.1Very high93.4Very high1 Ų141.9 Ų41.91%0.00522%0.224CC..Hα-helixtrans-58.4-25.6169173.964.5000112.1L108 Q109 L124 I128 P149 V152 L215 I219L105-L108 HydrophobicContact CD1-CD2 4.16Å; L105-Q109 HydrophobicContact CD1-CG 4.47Å; L105-Q109 WeakPolarHBondContact O-CB 3.47Å; L105-Q109 VanDerWaalsContact O-CG 3.26Å; L105-Q109 WeakPolarHBondContact O-CG 3.42Å; L105-Q109 PolarHBondContact O-N 3.04Å; L105-Q109 PolarHBondContact O-OE1 2.87Å; L105-L124 HydrophobicContact CD1-CD1 4.18Å; L105-I128 HydrophobicContact CD2-CD1 4.48Å; L105-P149 HydrophobicContact CB-CB 4.25Å; L105-P149 WeakPolarHBondContact CB-O 3.38Å; L105-P149 HydrophobicContact CD2-CB 4.26Å; L105-P149 HydrophobicContact CG-CB 4.08Å; L105-P149 PolarHBondContact N-O 2.97Å; L105-V152 HydrophobicContact CB-CB 3.98Å; L105-V152 HydrophobicContact CB-CG1 4.3Å; L105-V152 HydrophobicContact CD2-CB 4.23Å; L105-V152 HydrophobicContact CD2-CG1 4.41Å; L105-V152 HydrophobicContact CD2-CG2 4.38Å; L105-V152 PolarHBondContact N-O 3.49Å; L105-L215 HydrophobicContact CD2-CD1 3.98Å; L105-I219 HydrophobicContact CD1-CG1 4.31Å; L105-I219 HydrophobicContact CD2-CD1 3.72Å; L105-I219 HydrophobicContact CD2-CG1 3.58Å; L105-I219 HydrophobicContact CG-CG1 4.44Å
106A94.8Very high93.8Very high32 Ų3242 Ų4226%0.26423%0.225SC..Hα-helixtrans-67-41171.600000112.1S104 Q109 Q110 P149S104-A106 PolarHBondContact O-N 3.43Å; S104-A106 WeakPolarHBondContact OG-CB 3.45Å; S104-A106 PolarHBondContact OG-N 3.47Å; A106-Q109 PolarHBondContact O-N 3.4Å; A106-Q110 WeakPolarHBondContact O-CB 3.28Å; A106-Q110 PolarHBondContact O-N 3.27Å; A106-P149 HydrophobicContact CB-CB 3.93Å; A106-P149 PolarHBondContact N-O 2.97Å
107D94.1Very high94Very high76 Ų7643.7 Ų43.741%0.40624%0.236SC..Hα-helixtrans-68.7-36.8178.2-54.2-63.3000111.3S104 Q110 T111S104-D107 WeakPolarHBondContact CA-OD2 3.27Å; S104-D107 VanDerWaalsContact CB-OD2 3.29Å; S104-D107 WeakPolarHBondContact CB-OD2 3.48Å; S104-D107 PolarHBondContact N-OD2 2.91Å; S104-D107 WeakPolarHBondContact O-CB 3.36Å; S104-D107 PolarHBondContact O-N 3.3Å; S104-D107 PolarHBondContact OG-N 2.96Å; S104-D107 PolarHBondContact OG-OD2 3.3Å; D107-Q110 PolarHBondContact O-N 3.22Å; D107-T111 WeakPolarHBondContact O-CB 3.49Å; D107-T111 PolarHBondContact O-N 3.26Å; D107-T111 PolarHBondContact O-OG1 2.89Å
108L96.2Very high94.3Very high2 Ų245.6 Ų45.61%0.0124%0.243CC..Hα-helixtrans-61.3-51.2171177.962.4000111.3S104 L105 Q110 T111 L112 L124 L154 V305 L309S104-L108 PolarHBondContact O-N 3.45Å; L105-L108 HydrophobicContact CD1-CD2 4.16Å; L108-Q110 VanDerWaalsContact C-N 3.33Å; L108-Q110 PolarHBondContact O-N 2.98Å; L108-T111 PolarHBondContact O-N 2.76Å; L108-L112 HydrophobicContact CD1-CD1 3.69Å; L108-L112 HydrophobicContact CD1-CG 3.89Å; L108-L112 HydrophobicContact CG-CD1 3.95Å; L108-L112 HydrophobicContact CG-CG 4.44Å; L108-L112 WeakPolarHBondContact O-CB 3.48Å; L108-L112 WeakPolarHBondContact O-CG 3.47Å; L108-L112 PolarHBondContact O-N 3.43Å; L108-L124 HydrophobicContact CD2-CD1 4.24Å; L108-L154 HydrophobicContact CB-CD1 3.77Å; L108-L154 HydrophobicContact CD2-CD1 3.62Å; L108-L154 HydrophobicContact CG-CD1 4.25Å; L108-V305 HydrophobicContact CD1-CG1 3.62Å; L108-L309 HydrophobicContact CD1-CD1 4.3Å; L108-L309 HydrophobicContact CD1-CD2 4.05Å
109Q94.8Very high94.5Very high19 Ų1944.2 Ų44.29%0.08924%0.236CC..Hα-helixtrans-59.9-41.8177.4-74.7172.4-4200111.9L105 A106 Q113 S218L105-Q109 HydrophobicContact CD1-CG 4.47Å; L105-Q109 WeakPolarHBondContact O-CB 3.47Å; L105-Q109 VanDerWaalsContact O-CG 3.26Å; L105-Q109 WeakPolarHBondContact O-CG 3.42Å; L105-Q109 PolarHBondContact O-N 3.04Å; L105-Q109 PolarHBondContact O-OE1 2.87Å; A106-Q109 PolarHBondContact O-N 3.4Å; Q109-Q113 PolarHBondContact O-N 3.22Å; Q109-S218 VanDerWaalsContact NE2-C 3.29Å; Q109-S218 PolarHBondContact NE2-O 3.32Å; Q109-S218 PolarHBondContact NE2-OG 2.9Å
110Q93Very high94.7Very high150 Ų15042 Ų4270%0.70123%0.227SC*.Hα-helixtrans-63.9-41.7176.4179.7174.5-13.400112A106 D107 L108 Q113A106-Q110 WeakPolarHBondContact O-CB 3.28Å; A106-Q110 PolarHBondContact O-N 3.27Å; D107-Q110 PolarHBondContact O-N 3.22Å; L108-Q110 VanDerWaalsContact C-N 3.33Å; L108-Q110 PolarHBondContact O-N 2.98Å; Q110-Q113 WeakPolarHBondContact O-CG 3.39Å
111T93.6Very high94.9Very high36 Ų3641.8 Ų41.822%0.22123%0.226CC..Hα-helixtrans-71.6-40.5-180-61.70000112.3D107 L108 Q113 L309 N312D107-T111 WeakPolarHBondContact O-CB 3.49Å; D107-T111 PolarHBondContact O-N 3.26Å; D107-T111 PolarHBondContact O-OG1 2.89Å; L108-T111 PolarHBondContact O-N 2.76Å; T111-Q113 VanDerWaalsContact C-N 3.31Å; T111-Q113 PolarHBondContact O-N 3.21Å; T111-L309 HydrophobicContact CG2-CD2 3.5Å; T111-N312 HydrophobicContact CG2-CB 3.99Å; T111-N312 WeakPolarHBondContact CG2-ND2 3.3Å; T111-N312 PolarHBondContact OG1-ND2 2.93Å
112L93.7Very high95.1Very high30 Ų3037.9 Ų37.916%0.15721%0.208CC..Hα-helixtrans-73.5-21.5178-69.3-179.4000113.6L108 G114 P116 V305 K308L108-L112 HydrophobicContact CD1-CD1 3.69Å; L108-L112 HydrophobicContact CD1-CG 3.89Å; L108-L112 HydrophobicContact CG-CD1 3.95Å; L108-L112 HydrophobicContact CG-CG 4.44Å; L108-L112 WeakPolarHBondContact O-CB 3.48Å; L108-L112 WeakPolarHBondContact O-CG 3.47Å; L108-L112 PolarHBondContact O-N 3.43Å; L112-G114 PolarHBondContact O-N 3.29Å; L112-P116 HydrophobicContact CD1-CB 3.99Å; L112-V305 HydrophobicContact CD2-CG1 4.36Å; L112-V305 HydrophobicContact CD2-CG2 4.46Å; L112-K308 HydrophobicContact CD2-CD 4.03Å
113Q91.4Very high95.2Very high185 Ų18537 Ų3786%0.86421%0.205SC*.THydrogen-bonded Turntrans53.530.4-172.9-55.1-176.835.400113Q109 Q110 T111Q109-Q113 PolarHBondContact O-N 3.22Å; Q110-Q113 WeakPolarHBondContact O-CG 3.39Å; T111-Q113 VanDerWaalsContact C-N 3.31Å; T111-Q113 PolarHBondContact O-N 3.21Å
114G89.5Confident95.4Very high17 Ų1735.8 Ų35.818%0.17519%0.192CC..SBendtrans174.9-176.7-17100000111.6L112L112-G114 PolarHBondContact O-N 3.29Å
115P93.1Very high95.5Very high64 Ų6435.6 Ų35.642%0.41619%0.19SC..PPolyproline II helixtrans-70.7151.2178.229.5-33000111.4I219 A220P115-I219 WeakPolarHBondContact CB-O 3.22Å; P115-A220 WeakPolarHBondContact CB-O 3.29Å
116P95.5Very high95.6Very high4 Ų436.4 Ų36.43%0.02619%0.194CC..PPolyproline II helixtrans-64.1156.9165.328.3-32.4000111L112 L120 A121 L124 I219L112-P116 HydrophobicContact CD1-CB 3.99Å; P116-L120 HydrophobicContact CB-CB 4.39Å; P116-L120 HydrophobicContact CB-CD2 3.9Å; P116-L120 HydrophobicContact CB-CG 4.15Å; P116-A121 HydrophobicContact CG-CB 4.11Å; P116-L124 HydrophobicContact CG-CD1 4.32Å; P116-I219 HydrophobicContact CG-CG2 4.22Å
117P95.9Very high95.8Very high34 Ų3435.7 Ų35.722%0.22119%0.185CC..PPolyproline II helixtrans-54.9142.2174-22.833.1000111.4P119 L120 A121 A301 V305P117-P119 VanDerWaalsContact C-CD 3.47Å; P117-P119 VanDerWaalsContact O-N 3.14Å; P117-L120 WeakPolarHBondContact O-CA 3.47Å; P117-L120 WeakPolarHBondContact O-CB 3.39Å; P117-L120 PolarHBondContact O-N 2.91Å; P117-A121 PolarHBondContact O-N 3.28Å; P117-A301 HydrophobicContact CB-CB 4.03Å; P117-V305 VanDerWaalsContact CD-CG2 3.44Å; P117-V305 HydrophobicContact CG-CG2 3.88Å
118W96Very high96Very high46 Ų4632.2 Ų32.217%0.17417%0.166CC..Hα-helixtrans-49.7-41.5-172.1-76111.4000115.8L120 A121 F122 A220 I249 V256 L259 L262W118-L120 VanDerWaalsContact C-N 3.34Å; W118-L120 PolarHBondContact O-N 3.47Å; W118-A121 HydrophobicContact CE3-CB 4.15Å; W118-A121 WeakPolarHBondContact O-CB 3.37Å; W118-A121 PolarHBondContact O-N 2.99Å; W118-F122 HydrophobicContact CB-CD2 4.32Å; W118-F122 HydrophobicContact CB-CE2 4.16Å; W118-F122 HydrophobicContact CD2-CE2 4.28Å; W118-F122 HydrophobicContact CE3-CD2 4.26Å; W118-F122 AromaticContact CE3-CE2 3.62Å; W118-F122 HydrophobicContact CE3-CE2 3.62Å; W118-F122 AromaticContact CE3-CZ 3.82Å; W118-F122 HydrophobicContact CE3-CZ 3.82Å; W118-F122 HydrophobicContact CZ3-CE2 4.4Å; W118-F122 HydrophobicContact CZ3-CZ 4.14Å; W118-F122 WeakPolarHBondContact O-CD2 3.3Å; W118-F122 PolarHBondContact O-N 3.28Å; W118-A220 HydrophobicContact CH2-CB 3.86Å; W118-A220 HydrophobicContact CZ3-CB 4.17Å; W118-I249 HydrophobicContact CH2-CG2 4.4Å; W118-V256 HydrophobicContact CB-CG1 4.25Å; W118-V256 HydrophobicContact CD2-CG1 3.78Å; W118-V256 HydrophobicContact CE3-CG1 4.31Å; W118-V256 HydrophobicContact CG-CG1 3.73Å; W118-V256 HydrophobicContact CG-CG2 4.23Å; W118-L259 HydrophobicContact CH2-CD1 3.43Å; W118-L259 VanDerWaalsContact CH2-CD1 3.43Å; W118-L259 HydrophobicContact CH2-CD2 4.46Å; W118-L259 HydrophobicContact CZ2-CD1 3.95Å; W118-L259 HydrophobicContact CZ2-CD2 4.16Å; W118-L259 HydrophobicContact CZ3-CD1 3.91Å; W118-L262 HydrophobicContact CH2-CD2 4.34Å; W118-L262 HydrophobicContact CZ3-CD2 3.81Å
119P97.4Very high96.2Very high17 Ų1732.2 Ų32.211%0.1117%0.167CC..Hα-helixtrans-58.4-43.8174.9-2534.8000113.2P117 R123 H294 A297 I298 A301P117-P119 VanDerWaalsContact C-CD 3.47Å; P117-P119 VanDerWaalsContact O-N 3.14Å; P119-R123 PolarHBondContact O-N 3.2Å; P119-H294 HydrophobicContact CB-CB 4.09Å; P119-H294 HydrophobicContact CG-CB 4.26Å; P119-A297 HydrophobicContact CB-CB 4.3Å; P119-A297 HydrophobicContact CG-CB 3.73Å; P119-I298 HydrophobicContact CB-CD1 4.25Å; P119-I298 WeakPolarHBondContact O-CD1 3.47Å; P119-A301 HydrophobicContact CB-CB 3.89Å; P119-A301 HydrophobicContact CG-CB 4.16Å
120L98.3Very high96.3Very high0 Ų033.8 Ų33.80%018%0.175CC..Hα-helixtrans-67.6-42.7175178.659.9000111P116 P117 W118 F122 R123 L124 L158 A301 V302 V305P116-L120 HydrophobicContact CB-CB 4.39Å; P116-L120 HydrophobicContact CB-CD2 3.9Å; P116-L120 HydrophobicContact CB-CG 4.15Å; P117-L120 WeakPolarHBondContact O-CA 3.47Å; P117-L120 WeakPolarHBondContact O-CB 3.39Å; P117-L120 PolarHBondContact O-N 2.91Å; W118-L120 VanDerWaalsContact C-N 3.34Å; W118-L120 PolarHBondContact O-N 3.47Å; L120-F122 PolarHBondContact O-N 3.23Å; L120-R123 VanDerWaalsContact CD1-NH2 3.28Å; L120-R123 PolarHBondContact O-N 2.89Å; L120-L124 HydrophobicContact CD1-CD1 4.09Å; L120-L124 HydrophobicContact CD1-CD2 4.37Å; L120-L124 HydrophobicContact CD1-CG 3.92Å; L120-L124 HydrophobicContact CG-CD1 3.87Å; L120-L124 HydrophobicContact CG-CG 4.2Å; L120-L124 WeakPolarHBondContact O-CB 3.41Å; L120-L124 VanDerWaalsContact O-CG 3.27Å; L120-L124 WeakPolarHBondContact O-CG 3.18Å; L120-L124 PolarHBondContact O-N 2.92Å; L120-L158 HydrophobicContact CD1-CB 4.11Å; L120-L158 HydrophobicContact CD2-CD1 3.95Å; L120-A301 HydrophobicContact CB-CB 4.36Å; L120-V302 HydrophobicContact CD1-CG2 4.14Å; L120-V305 HydrophobicContact CD2-CB 4.16Å; L120-V305 HydrophobicContact CD2-CG1 4.14Å; L120-V305 HydrophobicContact CD2-CG2 3.87Å
121A97.8Very high96.5Very high3 Ų326.6 Ų26.63%0.02514%0.142CC..Hα-helixtrans-54.6-50.7175.800000111.4P116 P117 W118 R123 L124 T125 I219P116-A121 HydrophobicContact CG-CB 4.11Å; P117-A121 PolarHBondContact O-N 3.28Å; W118-A121 HydrophobicContact CE3-CB 4.15Å; W118-A121 WeakPolarHBondContact O-CB 3.37Å; W118-A121 PolarHBondContact O-N 2.99Å; A121-R123 PolarHBondContact O-N 2.99Å; A121-L124 PolarHBondContact O-N 3.2Å; A121-T125 WeakPolarHBondContact O-CG2 3.44Å; A121-T125 PolarHBondContact O-N 2.85Å; A121-T125 PolarHBondContact O-OG1 3.44Å; A121-T125 VanDerWaalsContact O-OG1 3.12Å; A121-I219 HydrophobicContact CB-CG2 4Å
122F98.4Very high96.7Very high1 Ų125 Ų250%0.00413%0.132CC..Hα-helixtrans-66.2-34.2178.5-71.9-60.6000113.3W118 L120 T125 H126 V256 L262 M287 L290 H294W118-F122 HydrophobicContact CB-CD2 4.32Å; W118-F122 HydrophobicContact CB-CE2 4.16Å; W118-F122 HydrophobicContact CD2-CE2 4.28Å; W118-F122 HydrophobicContact CE3-CD2 4.26Å; W118-F122 AromaticContact CE3-CE2 3.62Å; W118-F122 HydrophobicContact CE3-CE2 3.62Å; W118-F122 AromaticContact CE3-CZ 3.82Å; W118-F122 HydrophobicContact CE3-CZ 3.82Å; W118-F122 HydrophobicContact CZ3-CE2 4.4Å; W118-F122 HydrophobicContact CZ3-CZ 4.14Å; W118-F122 WeakPolarHBondContact O-CD2 3.3Å; W118-F122 PolarHBondContact O-N 3.28Å; L120-F122 PolarHBondContact O-N 3.23Å; F122-T125 WeakPolarHBondContact CA-OG1 3.44Å; F122-T125 PolarHBondContact O-OG1 3.09Å; F122-H126 VanDerWaalsContact O-CB 3.23Å; F122-H126 WeakPolarHBondContact O-CB 3.35Å; F122-H126 PolarHBondContact O-N 3.48Å; F122-H126 VanDerWaalsContact O-N 3.1Å; F122-V256 HydrophobicContact CE2-CG1 4.13Å; F122-V256 HydrophobicContact CZ-CG1 4.49Å; F122-L262 HydrophobicContact CE1-CB 4.29Å; F122-L262 HydrophobicContact CE1-CD1 4.34Å; F122-L262 HydrophobicContact CE1-CD2 3.92Å; F122-L262 HydrophobicContact CE1-CG 4.4Å; F122-L262 HydrophobicContact CZ-CD2 4.32Å; F122-M287 HydrophobicContact CD1-CE 4.09Å; F122-L290 HydrophobicContact CD1-CB 3.64Å; F122-L290 HydrophobicContact CD1-CD1 4.19Å; F122-L290 HydrophobicContact CE1-CB 3.82Å; F122-L290 HydrophobicContact CE1-CD1 3.65Å; F122-L290 HydrophobicContact CE1-CG 4.32Å; F122-L290 HydrophobicContact CG-CB 4.4Å; F122-H294 HydrophobicContact CD2-CB 4.21Å; F122-H294 AromaticContact CD2-CD2 3.28Å; F122-H294 WeakPolarHBondContact CD2-CD2 3.35Å; F122-H294 AromaticContact CD2-CG 3.62Å; F122-H294 AromaticContact CD2-NE2 3.63Å; F122-H294 AromaticContact CE2-CD2 3.47Å; F122-H294 VanDerWaalsContact CE2-CD2 3.47Å; F122-H294 WeakPolarHBondContact CE2-CD2 3.48Å; F122-H294 AromaticContact CE2-CE1 3.79Å; F122-H294 AromaticContact CE2-NE2 3.28Å; F122-H294 VanDerWaalsContact CE2-NE2 3.28Å; F122-H294 WeakPolarHBondContact CE2-NE2 3.28Å
123R98.6Very high96.9Very high26 Ų2625.8 Ų25.810%0.09814%0.136CC..Hα-helixtrans-62.9-51171.5-174.3179.968.1172.51.4111.1P119 L120 A121 T125 H126 Q127 D157 L158 N159 F291 I298 V302P119-R123 PolarHBondContact O-N 3.2Å; L120-R123 VanDerWaalsContact CD1-NH2 3.28Å; L120-R123 PolarHBondContact O-N 2.89Å; A121-R123 PolarHBondContact O-N 2.99Å; R123-T125 PolarHBondContact O-N 2.86Å; R123-H126 PolarHBondContact O-N 3.17Å; R123-Q127 HydrophobicContact CG-CG 4.3Å; R123-Q127 WeakPolarHBondContact O-CB 3.33Å; R123-Q127 VanDerWaalsContact O-CG 3.28Å; R123-Q127 WeakPolarHBondContact O-CG 3.33Å; R123-Q127 PolarHBondContact O-N 3.39Å; R123-D157 PolarHBondContact NH1-O 3.08Å; R123-D157 PolarHBondContact NH2-O 2.67Å; R123-L158 PolarHBondContact NH2-O 2.86Å; R123-N159 PolarHBondContact NH1-OD1 2.68Å; R123-F291 HydrophobicContact CB-CD2 3.88Å; R123-F291 HydrophobicContact CB-CE2 3.72Å; R123-F291 HydrophobicContact CG-CD2 4.33Å; R123-F291 HydrophobicContact CG-CE2 3.83Å; R123-F291 HydrophobicContact CG-CZ 4.42Å; R123-I298 HydrophobicContact CB-CD1 3.71Å; R123-I298 HydrophobicContact CG-CD1 4.33Å; R123-V302 VanDerWaalsContact NH2-CG2 3.3Å
124L98.7Very high97Very high0 Ų018.8 Ų18.80%010%0.103CC..Hα-helixtrans-59.1-48.5-178.6-70.1170.9000111.1L105 L108 P116 L120 A121 H126 Q127 I128 L154 L158 A160L105-L124 HydrophobicContact CD1-CD1 4.18Å; L108-L124 HydrophobicContact CD2-CD1 4.24Å; P116-L124 HydrophobicContact CG-CD1 4.32Å; L120-L124 HydrophobicContact CD1-CD1 4.09Å; L120-L124 HydrophobicContact CD1-CD2 4.37Å; L120-L124 HydrophobicContact CD1-CG 3.92Å; L120-L124 HydrophobicContact CG-CD1 3.87Å; L120-L124 HydrophobicContact CG-CG 4.2Å; L120-L124 WeakPolarHBondContact O-CB 3.41Å; L120-L124 VanDerWaalsContact O-CG 3.27Å; L120-L124 WeakPolarHBondContact O-CG 3.18Å; L120-L124 PolarHBondContact O-N 2.92Å; A121-L124 PolarHBondContact O-N 3.2Å; L124-H126 VanDerWaalsContact C-N 3.34Å; L124-H126 PolarHBondContact O-N 3.17Å; L124-Q127 PolarHBondContact O-N 3.24Å; L124-I128 WeakPolarHBondContact O-CB 3.48Å; L124-I128 WeakPolarHBondContact O-CD1 3.46Å; L124-I128 WeakPolarHBondContact O-CG1 3.47Å; L124-I128 PolarHBondContact O-N 3.03Å; L124-L154 HydrophobicContact CD2-CD2 3.52Å; L124-L158 WeakPolarHBondContact CD2-O 3.27Å; L124-A160 HydrophobicContact CD2-CB 3.97Å
125T98.6Very high97.2Very high4 Ų418.1 Ų18.13%0.02510%0.095CC..Hα-helixtrans-65.3-36-179.457.30000112.7A121 F122 R123 A129 L216 I219 M287A121-T125 WeakPolarHBondContact O-CG2 3.44Å; A121-T125 PolarHBondContact O-N 2.85Å; A121-T125 PolarHBondContact O-OG1 3.44Å; A121-T125 VanDerWaalsContact O-OG1 3.12Å; F122-T125 WeakPolarHBondContact CA-OG1 3.44Å; F122-T125 PolarHBondContact O-OG1 3.09Å; R123-T125 PolarHBondContact O-N 2.86Å; T125-A129 WeakPolarHBondContact O-CB 3.47Å; T125-A129 PolarHBondContact O-N 3.04Å; T125-L216 HydrophobicContact CG2-CD2 3.37Å; T125-I219 HydrophobicContact CG2-CB 4.3Å; T125-I219 HydrophobicContact CG2-CD1 3.66Å; T125-I219 HydrophobicContact CG2-CG2 4.03Å; T125-M287 VanDerWaalsContact CB-SD 3.52Å; T125-M287 WeakPolarHBondContact OG1-CE 3.46Å; T125-M287 PolarHBondContact OG1-SD 3.34Å; T125-M287 VanDerWaalsContact OG1-SD 3.39Å
126H98.8Very high97.2Very high19 Ų1915.3 Ų15.39%0.0888%0.077CC..Hα-helixtrans-67.4-43.5173.4176.1-138.1000112.5F122 R123 L124 A129 L130 M287 F291F122-H126 VanDerWaalsContact O-CB 3.23Å; F122-H126 WeakPolarHBondContact O-CB 3.35Å; F122-H126 PolarHBondContact O-N 3.48Å; F122-H126 VanDerWaalsContact O-N 3.1Å; R123-H126 PolarHBondContact O-N 3.17Å; L124-H126 VanDerWaalsContact C-N 3.34Å; L124-H126 PolarHBondContact O-N 3.17Å; H126-A129 PolarHBondContact O-N 3.49Å; H126-L130 WeakPolarHBondContact O-CG 3.5Å; H126-L130 PolarHBondContact O-N 2.82Å; H126-M287 HydrophobicContact CB-CB 4.07Å; H126-F291 HydrophobicContact CB-CB 3.93Å; H126-F291 HydrophobicContact CB-CG 4.39Å; H126-F291 AromaticContact CE1-CD1 3.86Å; H126-F291 AromaticContact ND1-CD1 3.32Å; H126-F291 VanDerWaalsContact ND1-CD1 3.32Å; H126-F291 WeakPolarHBondContact ND1-CD1 3.22Å; H126-F291 AromaticContact ND1-CG 3.65Å
127Q98.8Very high97Very high17 Ų1719 Ų198%0.07910%0.102CC..Hα-helixtrans-63.5-42.4176.1-71.4177.3-24.700111.9H72 R123 L124 A129 L130 G131 N159 A160H72-Q127 VanDerWaalsContact CB-O 3.3Å; H72-Q127 WeakPolarHBondContact CB-O 3.5Å; H72-Q127 VanDerWaalsContact CE1-CG 3.49Å; H72-Q127 WeakPolarHBondContact CE1-CG 3.44Å; R123-Q127 HydrophobicContact CG-CG 4.3Å; R123-Q127 WeakPolarHBondContact O-CB 3.33Å; R123-Q127 VanDerWaalsContact O-CG 3.28Å; R123-Q127 WeakPolarHBondContact O-CG 3.33Å; R123-Q127 PolarHBondContact O-N 3.39Å; L124-Q127 PolarHBondContact O-N 3.24Å; Q127-A129 PolarHBondContact O-N 3.28Å; Q127-L130 WeakPolarHBondContact O-CB 3.43Å; Q127-L130 PolarHBondContact O-N 3.45Å; Q127-G131 PolarHBondContact O-N 3.24Å; Q127-N159 PolarHBondContact NE2-OD1 2.95Å; Q127-N159 VanDerWaalsContact OE1-CA 3.28Å; Q127-A160 HydrophobicContact CB-CB 4.01Å
128I98.7Very high96.7Very high2 Ų218.4 Ų18.41%0.0110%0.097CC..Hα-helixtrans-58.2-46.8171.7-68.8161000110.6L105 L124 L130 G131 I132 V152 A160 L162 F212 L215 I219L105-I128 HydrophobicContact CD2-CD1 4.48Å; L124-I128 WeakPolarHBondContact O-CB 3.48Å; L124-I128 WeakPolarHBondContact O-CD1 3.46Å; L124-I128 WeakPolarHBondContact O-CG1 3.47Å; L124-I128 PolarHBondContact O-N 3.03Å; I128-L130 VanDerWaalsContact C-N 3.35Å; I128-L130 PolarHBondContact O-N 3Å; I128-G131 PolarHBondContact O-N 3.4Å; I128-I132 HydrophobicContact CG2-CD1 3.83Å; I128-I132 HydrophobicContact CG2-CG1 4.45Å; I128-I132 WeakPolarHBondContact O-CG1 3.45Å; I128-I132 PolarHBondContact O-N 3.02Å; I128-V152 HydrophobicContact CD1-CG1 4.01Å; I128-V152 HydrophobicContact CD1-CG2 4.12Å; I128-V152 HydrophobicContact CG1-CG1 3.94Å; I128-V152 HydrophobicContact CG1-CG2 4.23Å; I128-A160 HydrophobicContact CG1-CB 4.13Å; I128-L162 HydrophobicContact CG1-CD2 4.48Å; I128-L162 HydrophobicContact CG2-CD2 4.3Å; I128-F212 HydrophobicContact CB-CE2 4.24Å; I128-F212 HydrophobicContact CG2-CD2 3.65Å; I128-F212 HydrophobicContact CG2-CE2 3.66Å; I128-L215 HydrophobicContact CD1-CD2 4.18Å; I128-L215 HydrophobicContact CG2-CD2 4.12Å; I128-I219 HydrophobicContact CD1-CD1 3.67Å
129A98.7Very high96.1Very high2 Ų221.7 Ų21.72%0.01713%0.127CC..Hα-helixtrans-61-41.4178.300000112.5T125 H126 Q127 I132 N133 F212 T284 M287T125-A129 WeakPolarHBondContact O-CB 3.47Å; T125-A129 PolarHBondContact O-N 3.04Å; H126-A129 PolarHBondContact O-N 3.49Å; Q127-A129 PolarHBondContact O-N 3.28Å; A129-I132 PolarHBondContact O-N 2.71Å; A129-N133 VanDerWaalsContact O-CB 3.28Å; A129-N133 WeakPolarHBondContact O-CB 3.46Å; A129-N133 PolarHBondContact O-N 3.14Å; A129-F212 HydrophobicContact CB-CE2 4.16Å; A129-F212 HydrophobicContact CB-CZ 3.82Å; A129-T284 PolarHBondContact O-OG1 3.28Å; A129-M287 HydrophobicContact CB-CB 4.3Å; A129-M287 HydrophobicContact CB-CG 4.25Å
130L98.5Very high95.5Very high52 Ų5225.1 Ų25.127%0.27215%0.149SC..Hα-helixtrans-60.1-44.4173.7-74.2166.4000112H126 Q127 I128 N133 F134 T284H126-L130 WeakPolarHBondContact O-CG 3.5Å; H126-L130 PolarHBondContact O-N 2.82Å; Q127-L130 WeakPolarHBondContact O-CB 3.43Å; Q127-L130 PolarHBondContact O-N 3.45Å; I128-L130 VanDerWaalsContact C-N 3.35Å; I128-L130 PolarHBondContact O-N 3Å; L130-N133 PolarHBondContact O-N 2.74Å; L130-F134 WeakPolarHBondContact O-CB 3.25Å; L130-F134 PolarHBondContact O-N 2.85Å; L130-T284 HydrophobicContact CD2-CG2 3.58Å; L130-T284 HydrophobicContact CG-CG2 4.05Å
131G96.9Very high94.9Very high0 Ų027.8 Ų27.80%017%0.167CC..Hα-helixtrans-62.4-46176.600000112.8Q127 I128 F134 L135Q127-G131 PolarHBondContact O-N 3.24Å; I128-G131 PolarHBondContact O-N 3.4Å; G131-F134 PolarHBondContact O-N 3.15Å; G131-L135 WeakPolarHBondContact O-CG 3.49Å; G131-L135 PolarHBondContact O-N 3.17Å
132I97.1Very high94.4Very high3 Ų327.8 Ų27.82%0.01517%0.166CC..Hα-helixtrans-63.1-44.8176.6-61.7167.4000110.7I128 A129 F134 L135 H136 L147 L162 D208 F212I128-I132 HydrophobicContact CG2-CD1 3.83Å; I128-I132 HydrophobicContact CG2-CG1 4.45Å; I128-I132 WeakPolarHBondContact O-CG1 3.45Å; I128-I132 PolarHBondContact O-N 3.02Å; A129-I132 PolarHBondContact O-N 2.71Å; I132-F134 VanDerWaalsContact C-N 3.32Å; I132-F134 PolarHBondContact O-N 3.31Å; I132-L135 PolarHBondContact O-N 3.4Å; I132-H136 WeakPolarHBondContact O-CB 3.46Å; I132-H136 PolarHBondContact O-CD2 3.5Å; I132-H136 PolarHBondContact O-N 3.42Å; I132-L147 HydrophobicContact CD1-CD1 3.52Å; I132-L147 HydrophobicContact CD1-CD2 4.12Å; I132-L147 HydrophobicContact CG1-CD1 3.92Å; I132-L147 HydrophobicContact CG1-CD2 4.22Å; I132-L162 HydrophobicContact CG1-CD1 3.88Å; I132-D208 HydrophobicContact CG2-CB 4.25Å; I132-F212 HydrophobicContact CD1-CB 3.9Å; I132-F212 HydrophobicContact CD1-CD2 3.6Å; I132-F212 HydrophobicContact CD1-CE2 4.39Å; I132-F212 HydrophobicContact CD1-CG 3.93Å
133N97.6Very high93.9Very high45 Ų4529.3 Ų29.324%0.24118%0.175CC..Hα-helixtrans-63-38178.4179.471.8000112A129 L130 S137 R281 T284A129-N133 VanDerWaalsContact O-CB 3.28Å; A129-N133 WeakPolarHBondContact O-CB 3.46Å; A129-N133 PolarHBondContact O-N 3.14Å; L130-N133 PolarHBondContact O-N 2.74Å; N133-S137 WeakPolarHBondContact O-CB 3.27Å; N133-S137 PolarHBondContact O-N 3.01Å; N133-S137 VanDerWaalsContact O-N 3.11Å; N133-S137 PolarHBondContact O-OG 3.39Å; N133-R281 VanDerWaalsContact OD1-CA 3.27Å; N133-R281 WeakPolarHBondContact OD1-CA 3.35Å; N133-R281 WeakPolarHBondContact OD1-CB 3.2Å; N133-R281 PolarHBondContact OD1-N 3.08Å; N133-T284 WeakPolarHBondContact CB-OG1 3.19Å
134F94.9Very high93.6Very high39 Ų3928.1 Ų28.117%0.17117%0.17CC..Hα-helixtrans-60.2-56.2172171.8-102000111.6G68 N70 V73 L130 G131 I132 H136 S137 I138G68-F134 WeakPolarHBondContact O-CE1 3.37Å; G68-F134 WeakPolarHBondContact O-CZ 3.35Å; N70-F134 HydrophobicContact CB-CB 4.41Å; N70-F134 HydrophobicContact CB-CD1 3.45Å; N70-F134 VanDerWaalsContact CB-CD1 3.45Å; N70-F134 HydrophobicContact CB-CD2 3.93Å; N70-F134 HydrophobicContact CB-CE1 3.54Å; N70-F134 HydrophobicContact CB-CE2 4.02Å; N70-F134 HydrophobicContact CB-CG 3.64Å; N70-F134 HydrophobicContact CB-CZ 3.84Å; N70-F134 WeakPolarHBondContact ND2-CB 3.46Å; N70-F134 VanDerWaalsContact ND2-CD2 3.35Å; N70-F134 WeakPolarHBondContact ND2-CD2 3.16Å; N70-F134 VanDerWaalsContact ND2-CG 3.3Å; N70-F134 WeakPolarHBondContact ND2-CG 3.28Å; V73-F134 HydrophobicContact CG2-CD1 3.88Å; V73-F134 HydrophobicContact CG2-CE1 4.5Å; L130-F134 WeakPolarHBondContact O-CB 3.25Å; L130-F134 PolarHBondContact O-N 2.85Å; G131-F134 PolarHBondContact O-N 3.15Å; I132-F134 VanDerWaalsContact C-N 3.32Å; I132-F134 PolarHBondContact O-N 3.31Å; F134-H136 VanDerWaalsContact C-N 3.26Å; F134-H136 PolarHBondContact O-N 3.44Å; F134-S137 WeakPolarHBondContact O-CA 3.36Å; F134-S137 WeakPolarHBondContact O-CB 3.26Å; F134-S137 PolarHBondContact O-N 3.27Å; F134-S137 PolarHBondContact O-OG 2.93Å; F134-I138 HydrophobicContact CD1-CD1 4.43Å; F134-I138 HydrophobicContact CE1-CD1 3.86Å; F134-I138 HydrophobicContact CE1-CG1 4.5Å; F134-I138 HydrophobicContact CZ-CD1 4.07Å; F134-I138 HydrophobicContact CZ-CG1 4.38Å; F134-I138 PolarHBondContact O-N 2.93Å
135L92.1Very high93.2Very high2 Ų229 Ų291%0.0118%0.175CC..Hα-helixtrans-55.1-41.7179.5-66.9174000112.1V73 G131 I132 S137 I138 V142 H144 L162 F165V73-L135 HydrophobicContact CG1-CD2 4.25Å; V73-L135 HydrophobicContact CG2-CD2 4.28Å; V73-L135 HydrophobicContact CG2-CG 4.17Å; G131-L135 WeakPolarHBondContact O-CG 3.49Å; G131-L135 PolarHBondContact O-N 3.17Å; I132-L135 PolarHBondContact O-N 3.4Å; L135-S137 VanDerWaalsContact C-N 3.25Å; L135-S137 PolarHBondContact O-N 3.24Å; L135-I138 HydrophobicContact CD2-CD1 4.39Å; L135-I138 PolarHBondContact O-N 3.41Å; L135-V142 CarbonylContact C-O 3.5Å; L135-V142 HydrophobicContact CB-CB 4.26Å; L135-V142 HydrophobicContact CD2-CB 4.17Å; L135-V142 HydrophobicContact CD2-CG1 3.99Å; L135-V142 PolarHBondContact O-N 2.89Å; L135-H144 HydrophobicContact CD1-CB 4.4Å; L135-L162 HydrophobicContact CD1-CD1 4.23Å; L135-F165 HydrophobicContact CD1-CB 4.08Å; L135-F165 HydrophobicContact CD1-CG 4.25Å; L135-F165 HydrophobicContact CD2-CD2 3.83Å; L135-F165 HydrophobicContact CD2-CE2 3.99Å; L135-F165 HydrophobicContact CD2-CG 4.21Å
136H93.6Very high92.7Very high6 Ų629.3 Ų29.33%0.02818%0.176CC..Hα-helixtrans-70.8-16.1178.1-75.5-165.6000114.6I132 F134 R205 D208 S280I132-H136 WeakPolarHBondContact O-CB 3.46Å; I132-H136 PolarHBondContact O-CD2 3.5Å; I132-H136 PolarHBondContact O-N 3.42Å; F134-H136 VanDerWaalsContact C-N 3.26Å; F134-H136 PolarHBondContact O-N 3.44Å; H136-R205 HydrophobicContact CB-CG 4.41Å; H136-R205 PolarHBondContact CE1-O 2.66Å; H136-R205 PolarHBondContact O-NE 2.82Å; H136-R205 PolarHBondContact O-NH2 3.44Å; H136-D208 IonicContact CD2-OD2 3.68Å; H136-D208 IonicContact CE1-OD2 3.35Å; H136-D208 IonicContact NE2-OD2 2.78Å; H136-D208 PolarHBondContact NE2-OD2 3.07Å; H136-S280 WeakPolarHBondContact CB-OG 3.03Å; H136-S280 PolarHBondContact ND1-OG 2.88Å
137S92.4Very high92.5Very high80 Ų8028.5 Ų28.556%0.55917%0.172SC*.Hα-helixtrans-92.7-16.2179.674.40000114N133 F134 L135N133-S137 WeakPolarHBondContact O-CB 3.27Å; N133-S137 PolarHBondContact O-N 3.01Å; N133-S137 VanDerWaalsContact O-N 3.11Å; N133-S137 PolarHBondContact O-OG 3.39Å; F134-S137 WeakPolarHBondContact O-CA 3.36Å; F134-S137 WeakPolarHBondContact O-CB 3.26Å; F134-S137 PolarHBondContact O-N 3.27Å; F134-S137 PolarHBondContact O-OG 2.93Å; L135-S137 VanDerWaalsContact C-N 3.25Å; L135-S137 PolarHBondContact O-N 3.24Å
138I87.9Confident92.2Very high22 Ų2229 Ų2911%0.11317%0.174CC..SBendtrans-60.4152.8171.9-57172.9000109.3Q67 F134 L135 P140 P141 V142Q67-I138 HydrophobicContact CB-CG2 4.04Å; F134-I138 HydrophobicContact CD1-CD1 4.43Å; F134-I138 HydrophobicContact CE1-CD1 3.86Å; F134-I138 HydrophobicContact CE1-CG1 4.5Å; F134-I138 HydrophobicContact CZ-CD1 4.07Å; F134-I138 HydrophobicContact CZ-CG1 4.38Å; F134-I138 PolarHBondContact O-N 2.93Å; L135-I138 HydrophobicContact CD2-CD1 4.39Å; L135-I138 PolarHBondContact O-N 3.41Å; I138-P140 CarbonylContact C-O 3.58Å; I138-P140 VanDerWaalsContact C-O 3.26Å; I138-P140 WeakPolarHBondContact CG2-O 3.4Å; I138-P140 CarbonylContact O-C 3.57Å; I138-P140 VanDerWaalsContact O-C 3.22Å; I138-P141 WeakPolarHBondContact O-CA 3.47Å; I138-V142 HydrophobicContact CB-CG2 4.2Å; I138-V142 HydrophobicContact CD1-CB 4.35Å; I138-V142 HydrophobicContact CD1-CG2 3.81Å; I138-V142 HydrophobicContact CG2-CG2 4.14Å
139S83.7Confident92.1Very high116 Ų11629.2 Ų29.281%0.81118%0.176SC*.SBendtrans-126.6106.5178.8179.20000110.3
140P84.7Confident91.8Very high88 Ų8831.6 Ų31.657%0.57119%0.192SC*.SBendcis-70.9159.6431.2-36.4000113.3I138 V142I138-P140 CarbonylContact C-O 3.58Å; I138-P140 VanDerWaalsContact C-O 3.26Å; I138-P140 WeakPolarHBondContact CG2-O 3.4Å; I138-P140 CarbonylContact O-C 3.57Å; I138-P140 VanDerWaalsContact O-C 3.22Å; P140-V142 PolarHBondContact O-N 3.4Å
141P87.1Confident91.6Very high56 Ų5629.3 Ų29.336%0.36418%0.181SC..PPolyproline II helixtrans-71.1127.6-173.9-17.133000112I138 R205I138-P141 WeakPolarHBondContact O-CA 3.47Å; P141-R205 VanDerWaalsContact CG-CZ 3.47Å
142V86.8Confident91.6Very high3 Ų329.3 Ų29.32%0.01818%0.181CC..PPolyproline II helixtrans-82.3127.2173.4-176.20000108.4M64 L135 I138 P140 F165M64-V142 HydrophobicContact CE-CG2 4.38Å; M64-V142 HydrophobicContact SD-CG1 4.34Å; M64-V142 HydrophobicContact SD-CG2 3.96Å; L135-V142 CarbonylContact C-O 3.5Å; L135-V142 HydrophobicContact CB-CB 4.26Å; L135-V142 HydrophobicContact CD2-CB 4.17Å; L135-V142 HydrophobicContact CD2-CG1 3.99Å; L135-V142 PolarHBondContact O-N 2.89Å; I138-V142 HydrophobicContact CB-CG2 4.2Å; I138-V142 HydrophobicContact CD1-CB 4.35Å; I138-V142 HydrophobicContact CD1-CG2 3.81Å; I138-V142 HydrophobicContact CG2-CG2 4.14Å; P140-V142 PolarHBondContact O-N 3.4Å; V142-F165 HydrophobicContact CG1-CD2 3.93Å
143L88.9Confident91.6Very high34 Ų3430.9 Ų30.918%0.17819%0.189CC..  trans-106.2136.7176.3-54.6-178000109L145 P203 R205L143-L145 HydrophobicContact CB-CD1 4Å; L143-L145 HydrophobicContact CB-CD2 3.88Å; L143-L145 HydrophobicContact CB-CG 3.66Å; L143-L145 HydrophobicContact CD1-CD2 4.22Å; L143-P203 HydrophobicContact CD1-CB 3.96Å; L143-R205 HydrophobicContact CD2-CB 4.32Å; L143-R205 HydrophobicContact CD2-CG 3.7Å
144H90.8Very high91.6Very high1 Ų128.7 Ų28.71%0.00518%0.177CC..  trans-80.3-47.9-177.6-172.5-27000111.7L135 D146 L147 T163 F165 D208L135-H144 HydrophobicContact CD1-CB 4.4Å; H144-D146 PolarHBondContact O-N 3.37Å; H144-L147 HydrophobicContact CB-CD1 4.44Å; H144-L147 HydrophobicContact CB-CG 4.07Å; H144-L147 WeakPolarHBondContact CD2-CD2 3.25Å; H144-T163 PolarHBondContact CE1-O 3.05Å; H144-T163 PolarHBondContact NE2-O 3.38Å; H144-F165 HydrophobicContact CB-CB 4.34Å; H144-D208 PolarHBondContact N-OD1 2.76Å; H144-D208 PolarHBondContact N-OD2 3.44Å
145L90.1Very high91.7Very high19 Ų1928.3 Ų28.310%0.09918%0.177CC..  trans597.6172.7-52.7174.6000116.9L143 A168 P203 F207 D208L143-L145 HydrophobicContact CB-CD1 4Å; L143-L145 HydrophobicContact CB-CD2 3.88Å; L143-L145 HydrophobicContact CB-CG 3.66Å; L143-L145 HydrophobicContact CD1-CD2 4.22Å; L145-A168 HydrophobicContact CB-CB 3.38Å; L145-A168 HydrophobicContact CD1-CB 4.2Å; L145-A168 HydrophobicContact CG-CB 4.37Å; L145-P203 HydrophobicContact CD1-CB 3.65Å; L145-P203 HydrophobicContact CD1-CG 4.05Å; L145-P203 HydrophobicContact CD2-CB 3.91Å; L145-P203 HydrophobicContact CG-CB 4.45Å; L145-F207 VanDerWaalsContact C-CE1 3.49Å; L145-F207 HydrophobicContact CB-CD1 4.37Å; L145-F207 HydrophobicContact CB-CE1 4.21Å; L145-F207 HydrophobicContact CD2-CB 3.71Å; L145-F207 HydrophobicContact CD2-CD1 3.73Å; L145-F207 HydrophobicContact CD2-CD2 4.02Å; L145-F207 HydrophobicContact CD2-CE1 4.33Å; L145-F207 HydrophobicContact CD2-CG 3.56Å; L145-F207 VanDerWaalsContact O-CE1 3.22Å; L145-F207 WeakPolarHBondContact O-CE1 3.42Å; L145-F207 WeakPolarHBondContact O-CZ 3.15Å; L145-D208 WeakPolarHBondContact CA-OD1 3.45Å; L145-D208 PolarHBondContact N-OD1 2.75Å
146D89.3Confident91.8Very high10 Ų1030.7 Ų30.75%0.05319%0.194CC..  trans-14741.5174.4-166.531.3000110.8H144 K148 N151 T188H144-D146 PolarHBondContact O-N 3.37Å; D146-K148 PolarHBondContact O-N 3.15Å; D146-K148 WeakPolarHBondContact OD1-CD 3.44Å; D146-K148 IonicContact OD1-NZ 3.67Å; D146-K148 PolarHBondContact OD1-NZ 2.9Å; D146-K148 WeakPolarHBondContact OD2-CE 3.41Å; D146-K148 IonicContact OD2-NZ 3.74Å; D146-K148 PolarHBondContact OD2-NZ 2.86Å; D146-N151 PolarHBondContact O-ND2 2.8Å; D146-N151 PolarHBondContact OD2-ND2 2.91Å; D146-T188 WeakPolarHBondContact OD1-CB 3.35Å; D146-T188 WeakPolarHBondContact OD1-CG2 3.44Å; D146-T188 PolarHBondContact OD1-OG1 2.78Å
147L93.8Very high92Very high1 Ų135 Ų351%0.00522%0.217CC..  trans-68.1113.3176.4-82.9165.5000110.7I132 H144 L162 Y191 D208I132-L147 HydrophobicContact CD1-CD1 3.52Å; I132-L147 HydrophobicContact CD1-CD2 4.12Å; I132-L147 HydrophobicContact CG1-CD1 3.92Å; I132-L147 HydrophobicContact CG1-CD2 4.22Å; H144-L147 HydrophobicContact CB-CD1 4.44Å; H144-L147 HydrophobicContact CB-CG 4.07Å; H144-L147 WeakPolarHBondContact CD2-CD2 3.25Å; L147-L162 HydrophobicContact CD2-CD1 4.48Å; L147-L162 HydrophobicContact CD2-CD2 3.78Å; L147-Y191 WeakPolarHBondContact O-CB 3.39Å; L147-D208 HydrophobicContact CD1-CB 3.73Å; L147-D208 WeakPolarHBondContact CD1-O 3.3Å
148K93.5Very high92.2Very high27 Ų2731.2 Ų31.212%0.11719%0.19CC..SBendtrans-159.5163.2179.665.7-165.1-179-157.70109.6D146 S150 N151 T188 Y191D146-K148 PolarHBondContact O-N 3.15Å; D146-K148 WeakPolarHBondContact OD1-CD 3.44Å; D146-K148 IonicContact OD1-NZ 3.67Å; D146-K148 PolarHBondContact OD1-NZ 2.9Å; D146-K148 WeakPolarHBondContact OD2-CE 3.41Å; D146-K148 IonicContact OD2-NZ 3.74Å; D146-K148 PolarHBondContact OD2-NZ 2.86Å; K148-S150 VanDerWaalsContact C-N 3.28Å; K148-S150 WeakPolarHBondContact CE-OG 3.35Å; K148-S150 WeakPolarHBondContact CG-OG 3.41Å; K148-S150 PolarHBondContact O-N 3.02Å; K148-S150 VanDerWaalsContact O-N 3.15Å; K148-N151 WeakPolarHBondContact CE-OD1 3.44Å; K148-N151 HydrophobicContact CG-CB 4.31Å; K148-N151 PolarHBondContact O-N 2.89Å; K148-T188 PolarHBondContact NZ-OG1 3Å; K148-Y191 HydrophobicContact CB-CD1 4.43Å; K148-Y191 HydrophobicContact CB-CD2 3.69Å; K148-Y191 HydrophobicContact CB-CE2 3.8Å; K148-Y191 HydrophobicContact CB-CG 4.04Å
149P95.9Very high92.7Very high7 Ų731.8 Ų31.85%0.04519%0.194CC..G310 helixtrans-55.7-32.6-175.9-3037.3000115.9L105 A106 N151 V152 Y191 L215L105-P149 HydrophobicContact CB-CB 4.25Å; L105-P149 WeakPolarHBondContact CB-O 3.38Å; L105-P149 HydrophobicContact CD2-CB 4.26Å; L105-P149 HydrophobicContact CG-CB 4.08Å; L105-P149 PolarHBondContact N-O 2.97Å; A106-P149 HydrophobicContact CB-CB 3.93Å; A106-P149 PolarHBondContact N-O 2.97Å; P149-N151 PolarHBondContact O-N 3.24Å; P149-V152 PolarHBondContact O-N 3.43Å; P149-Y191 WeakPolarHBondContact CD-OH 3.41Å; P149-Y191 WeakPolarHBondContact CG-OH 3.47Å; P149-L215 HydrophobicContact CG-CD1 3.72Å
150S92.8Very high93.4Very high52 Ų5226.4 Ų26.436%0.36416%0.156SC..G310 helixtrans-68.4-21.1176.961.80000113.8K148K148-S150 VanDerWaalsContact C-N 3.28Å; K148-S150 WeakPolarHBondContact CE-OG 3.35Å; K148-S150 WeakPolarHBondContact CG-OG 3.41Å; K148-S150 PolarHBondContact O-N 3.02Å; K148-S150 VanDerWaalsContact O-N 3.15Å
151N94.1Very high94Very high4 Ų423.8 Ų23.82%0.02114%0.136CC..G310 helixtrans-101.812.6-176.4-60.518.8000111.7D146 K148 P149 T163D146-N151 PolarHBondContact O-ND2 2.8Å; D146-N151 PolarHBondContact OD2-ND2 2.91Å; K148-N151 WeakPolarHBondContact CE-OD1 3.44Å; K148-N151 HydrophobicContact CG-CB 4.31Å; K148-N151 PolarHBondContact O-N 2.89Å; P149-N151 PolarHBondContact O-N 3.24Å; N151-T163 HydrophobicContact CB-CG2 4.29Å; N151-T163 PolarHBondContact O-N 3.49Å
152V96.9Very high94.3Very high0 Ų021.1 Ų21.10%012%0.119CC..EExtended strand (participates in β ladder)trans-114106.4168.4-176.20000106.9S104 L105 I128 P149 A160 L162 L215S104-V152 CarbonylContact C-O 3.58Å; S104-V152 VanDerWaalsContact CA-O 3.3Å; S104-V152 WeakPolarHBondContact CA-O 3.45Å; L105-V152 HydrophobicContact CB-CB 3.98Å; L105-V152 HydrophobicContact CB-CG1 4.3Å; L105-V152 HydrophobicContact CD2-CB 4.23Å; L105-V152 HydrophobicContact CD2-CG1 4.41Å; L105-V152 HydrophobicContact CD2-CG2 4.38Å; L105-V152 PolarHBondContact N-O 3.49Å; I128-V152 HydrophobicContact CD1-CG1 4.01Å; I128-V152 HydrophobicContact CD1-CG2 4.12Å; I128-V152 HydrophobicContact CG1-CG1 3.94Å; I128-V152 HydrophobicContact CG1-CG2 4.23Å; P149-V152 PolarHBondContact O-N 3.43Å; V152-A160 HydrophobicContact CG1-CB 3.66Å; V152-L162 HydrophobicContact CG2-CD2 4.03Å; V152-L215 HydrophobicContact CG2-CD2 4.07Å
153L96.7Very high94.5Very high36 Ų3621.3 Ų21.319%0.18812%0.12CC..EExtended strand (participates in β ladder)trans-92.4154179.1-56.6-172.1000111.5L74 M100 G103 A160 K161 T163L74-L153 HydrophobicContact CD2-CD1 3.89Å; M100-L153 HydrophobicContact CB-CB 3.8Å; M100-L153 HydrophobicContact CB-CD1 4.17Å; M100-L153 HydrophobicContact CE-CB 3.96Å; M100-L153 HydrophobicContact CG-CB 3.72Å; M100-L153 HydrophobicContact CG-CD1 3.84Å; M100-L153 HydrophobicContact CG-CG 4.46Å; G103-L153 CarbonylContact O-C 3.58Å; G103-L153 WeakPolarHBondContact O-CA 3.29Å; L153-A160 WeakPolarHBondContact O-CA 3.44Å; L153-K161 PolarHBondContact N-O 2.89Å; L153-K161 PolarHBondContact O-N 3.19Å; L153-T163 HydrophobicContact CD1-CG2 4.06Å; L153-T163 HydrophobicContact CD2-CG2 4.26Å; L153-T163 HydrophobicContact CG-CG2 3.81Å
154L97.9Very high94.1Very high0 Ų020.5 Ų20.50%012%0.116CC..EExtended strand (participates in β ladder)trans-123.4123.9-172.8-59178.4000111M100 E101 R102 G103 L108 L124 L158 N159 A160M100-L154 CarbonylContact C-O 3.34Å; E101-L154 PolarHBondContact N-O 2.9Å; R102-L154 HydrophobicContact CB-CB 3.87Å; R102-L154 PolarHBondContact N-O 2.91Å; R102-L154 VanDerWaalsContact N-O 3.09Å; G103-L154 PolarHBondContact O-N 3.09Å; L108-L154 HydrophobicContact CB-CD1 3.77Å; L108-L154 HydrophobicContact CD2-CD1 3.62Å; L108-L154 HydrophobicContact CG-CD1 4.25Å; L124-L154 HydrophobicContact CD2-CD2 3.52Å; L154-L158 HydrophobicContact CB-CD2 4.42Å; L154-L158 HydrophobicContact CD1-CD2 4.17Å; L154-N159 WeakPolarHBondContact CA-O 3.45Å; L154-A160 HydrophobicContact CD2-CB 4.43Å
155D96.2Very high93.5Very high30 Ų3020.8 Ų20.816%0.1612%0.117CC..  trans-75.1174.817366.615.7000111.4M100 E101 R102 D157 L158 N159M100-D155 HydrophobicContact CE-CB 4Å; M100-D155 VanDerWaalsContact CE-N 3.34Å; M100-D155 HydrophobicContact SD-CB 4.42Å; E101-D155 WeakPolarHBondContact OE2-CA 3.43Å; R102-D155 WeakPolarHBondContact CG-O 3.47Å; D155-D157 PolarHBondContact O-N 3.03Å; D155-D157 WeakPolarHBondContact OD1-CA 3.24Å; D155-D157 PolarHBondContact OD1-N 3Å; D155-D157 VanDerWaalsContact OD1-N 3.1Å; D155-L158 WeakPolarHBondContact O-CA 3.45Å; D155-L158 PolarHBondContact O-N 3.37Å; D155-L158 PolarHBondContact OD1-N 3.34Å; D155-L158 VanDerWaalsContact OD1-N 3.11Å; D155-N159 PolarHBondContact N-O 2.9Å; D155-N159 WeakPolarHBondContact OD1-CB 3.28Å; D155-N159 PolarHBondContact OD1-N 2.99Å; D155-N159 PolarHBondContact OD1-ND2 3.34Å; D155-N159 WeakPolarHBondContact OD2-CB 3.34Å; D155-N159 PolarHBondContact OD2-ND2 3.05Å
156S95.9Very high92.1Very high52 Ų5220.3 Ų20.336%0.36412%0.116SC..THydrogen-bonded Turntrans-48.9-29.5175.832.10000114.7E101 L306E101-S156 VanDerWaalsContact OE1-CB 3.28Å; E101-S156 WeakPolarHBondContact OE1-CB 3.35Å; E101-S156 PolarHBondContact OE1-OG 3.38Å; E101-S156 PolarHBondContact OE2-N 3.45Å; S156-L306 WeakPolarHBondContact O-CD2 3.29Å
157D96.6Very high90.7Very high97 Ų9720.3 Ų20.352%0.51912%0.117SC..THydrogen-bonded Turntrans-93.54.7177.7-87.4-29.5000114R123 D155 N159R123-D157 PolarHBondContact NH1-O 3.08Å; R123-D157 PolarHBondContact NH2-O 2.67Å; D155-D157 PolarHBondContact O-N 3.03Å; D155-D157 WeakPolarHBondContact OD1-CA 3.24Å; D155-D157 PolarHBondContact OD1-N 3Å; D155-D157 VanDerWaalsContact OD1-N 3.1Å; D157-N159 WeakPolarHBondContact CB-ND2 3.3Å
158L97.8Very high88.8Confident0 Ų020.8 Ų20.80%012%0.121CC..  trans62.533.5-174.7-55.8167.4000114.5R102 L120 R123 L124 L154 D155 V302 V305 L306 L309R102-L158 HydrophobicContact CB-CD2 3.69Å; R102-L158 HydrophobicContact CG-CD2 3.79Å; L120-L158 HydrophobicContact CD1-CB 4.11Å; L120-L158 HydrophobicContact CD2-CD1 3.95Å; R123-L158 PolarHBondContact NH2-O 2.86Å; L124-L158 WeakPolarHBondContact CD2-O 3.27Å; L154-L158 HydrophobicContact CB-CD2 4.42Å; L154-L158 HydrophobicContact CD1-CD2 4.17Å; D155-L158 WeakPolarHBondContact O-CA 3.45Å; D155-L158 PolarHBondContact O-N 3.37Å; D155-L158 PolarHBondContact OD1-N 3.34Å; D155-L158 VanDerWaalsContact OD1-N 3.11Å; L158-V302 HydrophobicContact CD1-CG1 4.39Å; L158-V305 HydrophobicContact CD1-CB 3.86Å; L158-V305 HydrophobicContact CD1-CG1 3.48Å; L158-V305 VanDerWaalsContact CD1-CG1 3.48Å; L158-L306 HydrophobicContact CD1-CD2 3.79Å; L158-L306 HydrophobicContact CD1-CG 3.98Å; L158-L306 HydrophobicContact CD2-CD2 4.23Å; L158-L306 HydrophobicContact CG-CD2 3.77Å; L158-L306 HydrophobicContact CG-CG 4.39Å; L158-L309 HydrophobicContact CD2-CD1 3.8Å
159N98.1Very high86.8Confident35 Ų3527.7 Ų27.719%0.18715%0.146CC..  trans-83.6139.7168.4-52-73.6000111R123 Q127 L154 D155 D157R123-N159 PolarHBondContact NH1-OD1 2.68Å; Q127-N159 PolarHBondContact NE2-OD1 2.95Å; Q127-N159 VanDerWaalsContact OE1-CA 3.28Å; L154-N159 WeakPolarHBondContact CA-O 3.45Å; D155-N159 PolarHBondContact N-O 2.9Å; D155-N159 WeakPolarHBondContact OD1-CB 3.28Å; D155-N159 PolarHBondContact OD1-N 2.99Å; D155-N159 PolarHBondContact OD1-ND2 3.34Å; D155-N159 WeakPolarHBondContact OD2-CB 3.34Å; D155-N159 PolarHBondContact OD2-ND2 3.05Å; D157-N159 WeakPolarHBondContact CB-ND2 3.3Å
160A98.1Very high84.3Confident2 Ų231.2 Ų31.22%0.01716%0.16CC..EExtended strand (participates in β ladder)trans-81.9133.1179.800000113.1H72 L124 Q127 I128 V152 L153 L154H72-A160 PolarHBondContact ND1-O 3.07Å; L124-A160 HydrophobicContact CD2-CB 3.97Å; Q127-A160 HydrophobicContact CB-CB 4.01Å; I128-A160 HydrophobicContact CG1-CB 4.13Å; V152-A160 HydrophobicContact CG1-CB 3.66Å; L153-A160 WeakPolarHBondContact O-CA 3.44Å; L154-A160 HydrophobicContact CD2-CB 4.43Å
161K96.3Very high81.9Confident33 Ų3330.6 Ų30.614%0.14316%0.156CC..EExtended strand (participates in β ladder)trans-123.7136.1161.8-59.4-175.1-169.9160.20110.7H72 L74 D98 M100 L153H72-K161 WeakPolarHBondContact O-CA 3.37Å; L74-K161 HydrophobicContact CB-CB 4.41Å; L74-K161 HydrophobicContact CD1-CD 4.06Å; D98-K161 IonicContact OD2-NZ 3.41Å; D98-K161 PolarHBondContact OD2-NZ 3.19Å; M100-K161 HydrophobicContact CE-CB 3.9Å; M100-K161 HydrophobicContact CE-CD 3.66Å; M100-K161 HydrophobicContact CE-CG 3.7Å; M100-K161 HydrophobicContact SD-CD 3.79Å; M100-K161 HydrophobicContact SD-CG 4.49Å; L153-K161 PolarHBondContact N-O 2.89Å; L153-K161 PolarHBondContact O-N 3.19Å
162L94.4Very high79.3Confident1 Ų131.9 Ų31.91%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-78.2135.6174.1-60.3176.7000111.3H72 L74 I128 I132 L135 L147 V152H72-L162 PolarHBondContact O-N 3.48Å; L74-L162 WeakPolarHBondContact CB-O 3.37Å; L74-L162 PolarHBondContact N-O 3.43Å; I128-L162 HydrophobicContact CG1-CD2 4.48Å; I128-L162 HydrophobicContact CG2-CD2 4.3Å; I132-L162 HydrophobicContact CG1-CD1 3.88Å; L135-L162 HydrophobicContact CD1-CD1 4.23Å; L147-L162 HydrophobicContact CD2-CD1 4.48Å; L147-L162 HydrophobicContact CD2-CD2 3.78Å; V152-L162 HydrophobicContact CG2-CD2 4.03Å
163T89.9Confident76.5Confident7 Ų734.8 Ų34.84%0.04319%0.186CC..  trans-124.4171.6175.1-168.40000111.6L74 H144 N151 L153 F165L74-T163 WeakPolarHBondContact CD2-OG1 3.45Å; H144-T163 PolarHBondContact CE1-O 3.05Å; H144-T163 PolarHBondContact NE2-O 3.38Å; N151-T163 HydrophobicContact CB-CG2 4.29Å; N151-T163 PolarHBondContact O-N 3.49Å; L153-T163 HydrophobicContact CD1-CG2 4.06Å; L153-T163 HydrophobicContact CD2-CG2 4.26Å; L153-T163 HydrophobicContact CG-CG2 3.81Å; T163-F165 PolarHBondContact O-N 3.33Å; T163-F165 VanDerWaalsContact O-N 3.09Å
164D82.3Confident73.7Confident17 Ų1737.2 Ų37.29%0.09120%0.198CC..SBendtrans57.722.6175.6-58.2-33000115.7F28 K46F28-D164 HydrophobicContact CE2-CB 4.29Å; K46-D164 IonicContact NZ-OD1 3.99Å; K46-D164 PolarHBondContact NZ-OD1 3.14Å
165F77.6Confident71Confident6 Ų640.2 Ų40.23%0.02622%0.216CC..  trans-68152.8169.359.2-84.9000111M65 V73 L135 V142 H144 T163 L167M65-F165 HydrophobicContact CE-CD1 4.32Å; M65-F165 HydrophobicContact CE-CE1 3.71Å; M65-F165 HydrophobicContact CE-CE2 4.29Å; M65-F165 HydrophobicContact CE-CZ 3.73Å; M65-F165 HydrophobicContact CG-CE1 4.33Å; M65-F165 HydrophobicContact CG-CE2 3.69Å; M65-F165 HydrophobicContact CG-CZ 3.42Å; M65-F165 VanDerWaalsContact CG-CZ 3.42Å; M65-F165 HydrophobicContact SD-CZ 4.44Å; V73-F165 HydrophobicContact CG1-CD1 3.88Å; V73-F165 HydrophobicContact CG1-CE1 3.13Å; V73-F165 HydrophobicContact CG1-CE2 4.25Å; V73-F165 HydrophobicContact CG1-CZ 3.32Å; L135-F165 HydrophobicContact CD1-CB 4.08Å; L135-F165 HydrophobicContact CD1-CG 4.25Å; L135-F165 HydrophobicContact CD2-CD2 3.83Å; L135-F165 HydrophobicContact CD2-CE2 3.99Å; L135-F165 HydrophobicContact CD2-CG 4.21Å; V142-F165 HydrophobicContact CG1-CD2 3.93Å; H144-F165 HydrophobicContact CB-CB 4.34Å; T163-F165 PolarHBondContact O-N 3.33Å; T163-F165 VanDerWaalsContact O-N 3.09Å; F165-L167 PolarHBondContact O-N 3.09Å
166G61Low68.5Low9 Ų946.9 Ų46.99%0.09324%0.239CC..SBendtrans77.8-28.9-178.400000115.8A168G166-A168 VanDerWaalsContact C-N 3.28Å; G166-A168 PolarHBondContact O-N 3.44Å
167L58.2Low65.5Low11 Ų1149.7 Ų49.76%0.05826%0.255CS..THydrogen-bonded Turntrans-70.9-18.7-179.4-74.3179.8000115.2F28 E61 F165 R169 F170 S171F28-L167 HydrophobicContact CB-CD1 4.35Å; F28-L167 HydrophobicContact CD1-CB 4.18Å; F28-L167 HydrophobicContact CD1-CD1 3.72Å; F28-L167 HydrophobicContact CD1-CG 4.48Å; F28-L167 HydrophobicContact CD2-CD1 4.44Å; F28-L167 HydrophobicContact CE1-CB 3.72Å; F28-L167 HydrophobicContact CE1-CD1 4.07Å; F28-L167 HydrophobicContact CE1-CG 4.5Å; F28-L167 HydrophobicContact CG-CD1 3.92Å; F28-L167 HydrophobicContact CZ-CB 4.17Å; E61-L167 HydrophobicContact CG-CD2 4.4Å; E61-L167 HydrophobicContact CG-CG 4.47Å; E61-L167 WeakPolarHBondContact OE1-CD1 3.41Å; F165-L167 PolarHBondContact O-N 3.09Å; L167-R169 PolarHBondContact O-N 3.36Å; L167-R169 VanDerWaalsContact O-N 3.13Å; L167-F170 PolarHBondContact O-N 2.95Å; L167-F170 VanDerWaalsContact O-N 3.1Å; L167-S171 PolarHBondContact O-N 3.45Å
168A54.6Low62.7Low11 Ų1147.4 Ų47.49%0.09125%0.246CC..Hα-helixtrans-61.2-22.2-178.200000114.3L145 G166 S171 S172L145-A168 HydrophobicContact CB-CB 3.38Å; L145-A168 HydrophobicContact CD1-CB 4.2Å; L145-A168 HydrophobicContact CG-CB 4.37Å; G166-A168 VanDerWaalsContact C-N 3.28Å; G166-A168 PolarHBondContact O-N 3.44Å; A168-S171 PolarHBondContact O-N 2.81Å; A168-S172 VanDerWaalsContact O-CB 3.23Å; A168-S172 WeakPolarHBondContact O-CB 3.45Å; A168-S172 PolarHBondContact O-N 3.13Å
169R51Low59.9Low172 Ų17257.4 Ų57.465%0.64929%0.29SS*.Hα-helixtrans-66.3-42.7174.1-63.6-170.583.6-178.45.5111.2L167 S172 S173L167-R169 PolarHBondContact O-N 3.36Å; L167-R169 VanDerWaalsContact O-N 3.13Å; R169-S172 PolarHBondContact O-N 3.22Å; R169-S172 PolarHBondContact O-OG 3.41Å; R169-S173 PolarHBondContact O-N 2.9Å
170F43.8Very low56.9Low80 Ų8064 Ų6435%0.35132%0.317SS..Hα-helixtrans-69.6-41.5174-60.9-82.9000111.7L167 S172 S173 I174L167-F170 PolarHBondContact O-N 2.95Å; L167-F170 VanDerWaalsContact O-N 3.1Å; F170-S172 PolarHBondContact O-N 3.18Å; F170-S173 PolarHBondContact O-N 3.13Å; F170-S173 PolarHBondContact O-OG 3.36Å; F170-I174 WeakPolarHBondContact O-CG1 3.32Å; F170-I174 PolarHBondContact O-N 3.15Å; F170-I174 VanDerWaalsContact O-N 3.09Å
171S43.1Very low53.9Low39 Ų3971.5 Ų71.527%0.27336%0.357SS..Hα-helixtrans-61.1-32171.4-170.50000112.2L167 A168 I174 T175L167-S171 PolarHBondContact O-N 3.45Å; A168-S171 PolarHBondContact O-N 2.81Å; S171-I174 PolarHBondContact O-N 3.33Å; S171-T175 WeakPolarHBondContact O-CB 3.42Å; S171-T175 VanDerWaalsContact O-CG2 3.29Å; S171-T175 WeakPolarHBondContact O-CG2 3.44Å; S171-T175 PolarHBondContact O-N 2.96Å; S171-T175 PolarHBondContact O-OG1 2.82Å
172S39.1Very low51.1Low32 Ų3272.7 Ų72.722%0.22437%0.369CS..Hα-helixtrans-71.3-35.7177.681.50000113.6A168 R169 F170 T175 R176A168-S172 VanDerWaalsContact O-CB 3.23Å; A168-S172 WeakPolarHBondContact O-CB 3.45Å; A168-S172 PolarHBondContact O-N 3.13Å; R169-S172 PolarHBondContact O-N 3.22Å; R169-S172 PolarHBondContact O-OG 3.41Å; F170-S172 PolarHBondContact O-N 3.18Å; S172-T175 WeakPolarHBondContact CA-OG1 3.49Å; S172-T175 PolarHBondContact O-OG1 3.29Å; S172-R176 WeakPolarHBondContact O-CB 3.42Å; S172-R176 WeakPolarHBondContact O-CD 3.5Å; S172-R176 WeakPolarHBondContact O-CG 3.46Å; S172-R176 PolarHBondContact O-N 2.81Å; S172-R176 VanDerWaalsContact O-N 3.14Å; S172-R176 PolarHBondContact O-NE 3.08Å
173S37.8Very low48.5Very low60 Ų6080.4 Ų80.442%0.4241%0.41SS..Hα-helixtrans-71.6-37.4173.153.40000111.5R169 F170 T177R169-S173 PolarHBondContact O-N 2.9Å; F170-S173 PolarHBondContact O-N 3.13Å; F170-S173 PolarHBondContact O-OG 3.36Å; S173-T177 WeakPolarHBondContact O-CG2 3.35Å; S173-T177 PolarHBondContact O-N 2.95Å; S173-T177 PolarHBondContact O-OG1 2.97Å
174I38.1Very low46.2Very low87 Ų8785.6 Ų85.645%0.44644%0.438SS..Hα-helixtrans-64.8-54.2174.3-66.3165.9000110.2F170 S171 R176 T177 S178F170-I174 WeakPolarHBondContact O-CG1 3.32Å; F170-I174 PolarHBondContact O-N 3.15Å; F170-I174 VanDerWaalsContact O-N 3.09Å; S171-I174 PolarHBondContact O-N 3.33Å; I174-R176 PolarHBondContact O-N 2.84Å; I174-R176 VanDerWaalsContact O-N 3.16Å; I174-T177 CarbonylContact O-C 3.56Å; I174-T177 PolarHBondContact O-N 3.01Å; I174-T177 PolarHBondContact O-OG1 3.21Å; I174-T177 VanDerWaalsContact O-OG1 3.06Å; I174-S178 WeakPolarHBondContact O-CB 3.5Å; I174-S178 PolarHBondContact O-N 3.44Å; I174-S178 PolarHBondContact O-OG 2.91Å
175T40.8Very low44.7Very low63 Ų6387 Ų8739%0.38745%0.447SS..Hα-helixtrans-64.2-21.7-179.852.40000114.7S171 S172 T185S171-T175 WeakPolarHBondContact O-CB 3.42Å; S171-T175 VanDerWaalsContact O-CG2 3.29Å; S171-T175 WeakPolarHBondContact O-CG2 3.44Å; S171-T175 PolarHBondContact O-N 2.96Å; S171-T175 PolarHBondContact O-OG1 2.82Å; S172-T175 WeakPolarHBondContact CA-OG1 3.49Å; S172-T175 PolarHBondContact O-OG1 3.29Å; T175-T185 HydrophobicContact CG2-CG2 3.7Å
176R43.3Very low43.4Very low170 Ų17087.1 Ų87.164%0.64245%0.45SS*.Hα-helixtrans-75-21.5169.3-73.2165.2-160.6-165.2-0.2113.5S172 I174S172-R176 WeakPolarHBondContact O-CB 3.42Å; S172-R176 WeakPolarHBondContact O-CD 3.5Å; S172-R176 WeakPolarHBondContact O-CG 3.46Å; S172-R176 PolarHBondContact O-N 2.81Å; S172-R176 VanDerWaalsContact O-N 3.14Å; S172-R176 PolarHBondContact O-NE 3.08Å; I174-R176 PolarHBondContact O-N 2.84Å; I174-R176 VanDerWaalsContact O-N 3.16Å
177T34.2Very low43.3Very low112 Ų11287.3 Ų87.369%0.68745%0.452SS*.Hα-helixtrans-116-29.3-172.8540000114S173 I174 K179S173-T177 WeakPolarHBondContact O-CG2 3.35Å; S173-T177 PolarHBondContact O-N 2.95Å; S173-T177 PolarHBondContact O-OG1 2.97Å; I174-T177 CarbonylContact O-C 3.56Å; I174-T177 PolarHBondContact O-N 3.01Å; I174-T177 PolarHBondContact O-OG1 3.21Å; I174-T177 VanDerWaalsContact O-OG1 3.06Å; T177-K179 PolarHBondContact O-N 3.11Å
178S36.4Very low44.2Very low49 Ų4988.3 Ų88.334%0.34346%0.459SS..  trans-8478.2-173.270.20000112.9I174 K180I174-S178 WeakPolarHBondContact O-CB 3.5Å; I174-S178 PolarHBondContact O-N 3.44Å; I174-S178 PolarHBondContact O-OG 2.91Å; S178-K180 PolarHBondContact O-N 3.33Å
179K39.3Very low45.8Very low210 Ų21088 Ų8891%0.91346%0.456SS*.  trans-68.817.1168.2-88.4-177.6176.4174.80114.7T177T177-K179 PolarHBondContact O-N 3.11Å
180K36.5Very low47.7Very low174 Ų17481 Ų8176%0.75743%0.429SS*.SBendtrans-122.7105.5-175-90.6-175.1171.8-179.20113.5S178 S182S178-K180 PolarHBondContact O-N 3.33Å; K180-S182 PolarHBondContact O-N 3.42Å; K180-S182 VanDerWaalsContact O-N 3.09Å
181N34.7Very low50.2Low159 Ų15977.9 Ų77.985%0.8542%0.415SS*.  trans5925.1134.1-56.25.3000120.5
182S37.1Very low52.6Low58 Ų5877.8 Ų77.841%0.40641%0.411SS..  trans-96.2103.3164.346.50000111.5K180 D184 T185K180-S182 PolarHBondContact O-N 3.42Å; K180-S182 VanDerWaalsContact O-N 3.09Å; S182-D184 PolarHBondContact O-N 3.43Å; S182-T185 WeakPolarHBondContact CB-OG1 3.37Å; S182-T185 PolarHBondContact O-N 2.96Å; S182-T185 PolarHBondContact OG-OG1 3.05Å
183N40.3Very low55.2Low162 Ų16276.2 Ų76.287%0.86640%0.4SS*.THydrogen-bonded Turntrans-57.2-29.3174.6-82.1-17.9000112.6T185 G186N183-T185 PolarHBondContact O-N 3.36Å; N183-G186 PolarHBondContact O-N 2.92Å
184D41.9Very low57.9Low116 Ų11674.1 Ų74.162%0.6239%0.385SS*.THydrogen-bonded Turntrans-68.1-30.2-177.1-167.640000113.7S182 G186 G187S182-D184 PolarHBondContact O-N 3.43Å; D184-G186 PolarHBondContact O-N 3.45Å; D184-G187 PolarHBondContact O-N 2.85Å
185T49.8Very low60.6Low46 Ų4671.6 Ų71.628%0.28237%0.371SS..Hα-helixtrans-61.2-15.9174.7-47.10000112.6T175 S182 N183 G187 I189T175-T185 HydrophobicContact CG2-CG2 3.7Å; S182-T185 WeakPolarHBondContact CB-OG1 3.37Å; S182-T185 PolarHBondContact O-N 2.96Å; S182-T185 PolarHBondContact OG-OG1 3.05Å; N183-T185 PolarHBondContact O-N 3.36Å; T185-G187 VanDerWaalsContact C-N 3.3Å; T185-G187 PolarHBondContact O-N 2.9Å; T185-I189 WeakPolarHBondContact O-CD1 3.5Å
186G49.9Very low62.9Low9 Ų969.5 Ų69.59%0.09336%0.36CS..Hα-helixtrans-71-16.9170.500000115.6N183 D184 S231N183-G186 PolarHBondContact O-N 2.92Å; D184-G186 PolarHBondContact O-N 3.45Å; G186-S231 WeakPolarHBondContact CA-OG 3.22Å
187G59.9Low65Low14 Ų1463.9 Ų63.914%0.14434%0.341CS..Hα-helixtrans-69.8-57179.700000112.8D184 T185 I189 R190D184-G187 PolarHBondContact O-N 2.85Å; T185-G187 VanDerWaalsContact C-N 3.3Å; T185-G187 PolarHBondContact O-N 2.9Å; G187-I189 VanDerWaalsContact C-N 3.34Å; G187-I189 PolarHBondContact O-N 2.68Å; G187-R190 PolarHBondContact O-N 3.32Å
188T77.7Confident67.5Low31 Ų3162.8 Ų62.819%0.1933%0.331CS..Hα-helixtrans-58.3-39.5-176.7-69.20000113.5D146 K148 R190 Y191 M192D146-T188 WeakPolarHBondContact OD1-CB 3.35Å; D146-T188 WeakPolarHBondContact OD1-CG2 3.44Å; D146-T188 PolarHBondContact OD1-OG1 2.78Å; K148-T188 PolarHBondContact NZ-OG1 3Å; T188-R190 PolarHBondContact O-N 3.34Å; T188-Y191 PolarHBondContact O-N 3.16Å; T188-M192 HydrophobicContact CG2-CG 4.1Å; T188-M192 HydrophobicContact CG2-SD 4.21Å; T188-M192 PolarHBondContact O-N 2.78Å
189I86.7Confident69.4Low5 Ų567.4 Ų67.43%0.02636%0.357CS..G310 helixtrans-52.5-29.9-176.5-70.8164.6000113T185 G187 Y191 M192 F197 V234 R235T185-I189 WeakPolarHBondContact O-CD1 3.5Å; G187-I189 VanDerWaalsContact C-N 3.34Å; G187-I189 PolarHBondContact O-N 2.68Å; I189-Y191 PolarHBondContact O-N 3.34Å; I189-M192 HydrophobicContact CG1-SD 4.16Å; I189-M192 PolarHBondContact O-N 2.92Å; I189-F197 HydrophobicContact CG2-CE1 4.05Å; I189-F197 HydrophobicContact CG2-CZ 4.08Å; I189-V234 HydrophobicContact CG2-CB 4.21Å; I189-V234 HydrophobicContact CG2-CG1 3.93Å; I189-R235 VanDerWaalsContact CD1-CZ 3.41Å; I189-R235 HydrophobicContact CG2-CG 3.82Å
190R92.3Very high71.4Confident24 Ų2461.4 Ų61.49%0.09134%0.341CS..G310 helixtrans-68.4-21.8-179.2-64.4162.7-180-116-8.2113.6G187 T188 P225 Y226 A229 V234G187-R190 PolarHBondContact O-N 3.32Å; T188-R190 PolarHBondContact O-N 3.34Å; R190-P225 HydrophobicContact CB-CB 4.34Å; R190-P225 WeakPolarHBondContact CD-O 3.37Å; R190-P225 PolarHBondContact NH1-O 3.09Å; R190-Y226 HydrophobicContact CB-CD2 4.27Å; R190-Y226 HydrophobicContact CG-CD2 4.29Å; R190-Y226 VanDerWaalsContact CZ-O 3.29Å; R190-Y226 PolarHBondContact NH1-O 3.08Å; R190-Y226 PolarHBondContact NH2-O 2.98Å; R190-A229 PolarHBondContact NH2-O 3.45Å; R190-V234 HydrophobicContact CG-CG1 4.34Å
191Y94.6Very high73.7Confident15 Ų1554.6 Ų54.66%0.05931%0.311CS..G310 helixtrans-104.9-4.7179.7-59.5-90.3000112.6L147 K148 P149 T188 I189 S211 I214 P225L147-Y191 WeakPolarHBondContact O-CB 3.39Å; K148-Y191 HydrophobicContact CB-CD1 4.43Å; K148-Y191 HydrophobicContact CB-CD2 3.69Å; K148-Y191 HydrophobicContact CB-CE2 3.8Å; K148-Y191 HydrophobicContact CB-CG 4.04Å; P149-Y191 WeakPolarHBondContact CD-OH 3.41Å; P149-Y191 WeakPolarHBondContact CG-OH 3.47Å; T188-Y191 PolarHBondContact O-N 3.16Å; I189-Y191 PolarHBondContact O-N 3.34Å; Y191-S211 WeakPolarHBondContact O-CA 3.42Å; Y191-S211 WeakPolarHBondContact O-CB 3.45Å; Y191-S211 PolarHBondContact O-OG 3.03Å; Y191-I214 HydrophobicContact CD1-CB 3.98Å; Y191-I214 HydrophobicContact CD1-CG2 3.52Å; Y191-I214 HydrophobicContact CE1-CG2 3.8Å; Y191-I214 HydrophobicContact CG-CG2 4.27Å; Y191-P225 HydrophobicContact CE1-CG 4.01Å; Y191-P225 VanDerWaalsContact OH-CD 3.28Å; Y191-P225 WeakPolarHBondContact OH-CD 3.38Å
192M93.8Very high76Confident37 Ų3753.4 Ų53.418%0.18231%0.305CS..SBendtrans-76.5141.3-179-68.3-179.467.800111.9T188 I189 A196 F197 F207 Y210T188-M192 HydrophobicContact CG2-CG 4.1Å; T188-M192 HydrophobicContact CG2-SD 4.21Å; T188-M192 PolarHBondContact O-N 2.78Å; I189-M192 HydrophobicContact CG1-SD 4.16Å; I189-M192 PolarHBondContact O-N 2.92Å; M192-A196 HydrophobicContact CE-CB 3.69Å; M192-F197 HydrophobicContact CB-CE1 4.15Å; M192-F197 HydrophobicContact CB-CZ 3.8Å; M192-F197 HydrophobicContact CE-CE1 4.2Å; M192-F197 HydrophobicContact SD-CE1 4.09Å; M192-F207 HydrophobicContact CE-CE2 4.44Å; M192-F207 HydrophobicContact CG-CZ 4.08Å; M192-Y210 WeakPolarHBondContact O-CE1 3.39Å
193P94.8Very high78.3Confident0 Ų053.2 Ų53.20%030%0.302CS..  trans-70.9156.4174.333.6-38.5000112E195 A196 F207 Y210P193-E195 VanDerWaalsContact C-N 3.3Å; P193-E195 WeakPolarHBondContact CB-OE1 3.3Å; P193-E195 PolarHBondContact O-N 2.94Å; P193-A196 HydrophobicContact CG-CB 3.79Å; P193-A196 WeakPolarHBondContact O-CB 3.34Å; P193-A196 PolarHBondContact O-N 3.05Å; P193-A196 VanDerWaalsContact O-N 3.08Å; P193-F207 VanDerWaalsContact CD-CE2 3.49Å; P193-F207 HydrophobicContact CG-CB 4.3Å; P193-F207 HydrophobicContact CG-CD2 3.44Å; P193-F207 VanDerWaalsContact CG-CD2 3.44Å; P193-F207 HydrophobicContact CG-CE2 3.87Å; P193-F207 HydrophobicContact CG-CG 3.83Å; P193-Y210 VanDerWaalsContact CA-CD1 3.42Å; P193-Y210 HydrophobicContact CB-CD1 3.8Å; P193-Y210 HydrophobicContact CB-CD2 3.92Å; P193-Y210 HydrophobicContact CB-CE1 4.4Å; P193-Y210 HydrophobicContact CB-CE2 4.5Å; P193-Y210 HydrophobicContact CB-CG 3.55Å
194P94.7Very high80.7Confident16 Ų1647.6 Ų47.610%0.10428%0.276CS..G310 helixtrans-58.9-37.6-176.922.7-33.5000113.5A196 F197 I238 P239P194-A196 PolarHBondContact O-N 2.82Å; P194-F197 WeakPolarHBondContact O-CD2 3.48Å; P194-F197 PolarHBondContact O-N 2.83Å; P194-I238 HydrophobicContact CB-CG2 4.01Å; P194-P239 HydrophobicContact CB-CG 4.4Å
195E93.4Very high83.3Confident33 Ų3347.7 Ų47.715%0.15427%0.267CS..G310 helixtrans-69.4-19.6179.770.2-82.4-173.200113.7P193 F197 D198 Y201 R277P193-E195 VanDerWaalsContact C-N 3.3Å; P193-E195 WeakPolarHBondContact CB-OE1 3.3Å; P193-E195 PolarHBondContact O-N 2.94Å; E195-F197 PolarHBondContact O-N 3.27Å; E195-D198 WeakPolarHBondContact O-CB 3.42Å; E195-D198 PolarHBondContact O-N 3.33Å; E195-D198 VanDerWaalsContact O-N 3.11Å; E195-Y201 HydrophobicContact CB-CD2 4.07Å; E195-Y201 HydrophobicContact CB-CE2 4.25Å; E195-Y201 HydrophobicContact CG-CD2 3.59Å; E195-Y201 HydrophobicContact CG-CE2 3.27Å; E195-Y201 VanDerWaalsContact O-CB 3.31Å; E195-Y201 WeakPolarHBondContact O-CB 3.44Å; E195-R277 IonicContact OE1-CZ 2.75Å; E195-R277 IonicContact OE1-NH1 3.74Å; E195-R277 PolarHBondContact OE1-NH1 2.9Å; E195-R277 IonicContact OE1-NH2 2.69Å; E195-R277 PolarHBondContact OE1-NH2 2.81Å; E195-R277 IonicContact OE2-CZ 2.66Å; E195-R277 IonicContact OE2-NH1 2.78Å; E195-R277 IonicContact OE2-NH2 3.69Å; E195-R277 PolarHBondContact OE2-NH2 3.02Å
196A90.2Very high85.5Confident19 Ų1946.3 Ų46.316%0.15726%0.26CS..G310 helixtrans-75.1-1.6177.800000113.9M192 P193 P194 Y201 F207M192-A196 HydrophobicContact CE-CB 3.69Å; P193-A196 HydrophobicContact CG-CB 3.79Å; P193-A196 WeakPolarHBondContact O-CB 3.34Å; P193-A196 PolarHBondContact O-N 3.05Å; P193-A196 VanDerWaalsContact O-N 3.08Å; P194-A196 PolarHBondContact O-N 2.82Å; A196-Y201 HydrophobicContact CB-CD1 4.01Å; A196-Y201 HydrophobicContact CB-CE1 4.06Å; A196-F207 HydrophobicContact CB-CD2 4Å; A196-F207 HydrophobicContact CB-CE2 3.56Å
197F87.9Confident87.7Confident52 Ų5246.5 Ų46.523%0.22826%0.259CS..G310 helixtrans-91.6-5.7169.4-54.5-57.9000113.1I189 M192 P194 E195 R235 I238 P239I189-F197 HydrophobicContact CG2-CE1 4.05Å; I189-F197 HydrophobicContact CG2-CZ 4.08Å; M192-F197 HydrophobicContact CB-CE1 4.15Å; M192-F197 HydrophobicContact CB-CZ 3.8Å; M192-F197 HydrophobicContact CE-CE1 4.2Å; M192-F197 HydrophobicContact SD-CE1 4.09Å; P194-F197 WeakPolarHBondContact O-CD2 3.48Å; P194-F197 PolarHBondContact O-N 2.83Å; E195-F197 PolarHBondContact O-N 3.27Å; F197-R235 HydrophobicContact CD1-CB 4.45Å; F197-R235 HydrophobicContact CD1-CG 3.94Å; F197-R235 HydrophobicContact CE1-CB 4.49Å; F197-R235 HydrophobicContact CE1-CG 3.77Å; F197-R235 HydrophobicContact CZ-CG 4.38Å; F197-I238 HydrophobicContact CE2-CB 4.05Å; F197-I238 HydrophobicContact CE2-CD1 4.42Å; F197-I238 HydrophobicContact CE2-CG2 3.92Å; F197-I238 HydrophobicContact CZ-CD1 4.46Å; F197-P239 HydrophobicContact CD2-CG 3.8Å
198D84.7Confident89.5Confident90 Ų9045.8 Ų45.848%0.48125%0.252SS..SBendtrans-78136.9171.5-166.8-45.3000110.5E195 S200 Y201E195-D198 WeakPolarHBondContact O-CB 3.42Å; E195-D198 PolarHBondContact O-N 3.33Å; E195-D198 VanDerWaalsContact O-N 3.11Å; D198-S200 VanDerWaalsContact CG-OG 3.28Å; D198-S200 PolarHBondContact O-N 2.9Å; D198-S200 WeakPolarHBondContact OD1-CB 3.4Å; D198-S200 PolarHBondContact OD1-N 3.47Å; D198-S200 PolarHBondContact OD1-OG 2.81Å; D198-Y201 WeakPolarHBondContact O-CB 3.29Å; D198-Y201 PolarHBondContact O-N 3.15Å
199T77.1Confident90.5Very high145 Ų14544.5 Ų44.589%0.8924%0.244SC*.THydrogen-bonded Turntrans-68.7-22.2178.851.60000113.4
200S82.1Confident91Very high84 Ų8444.3 Ų44.359%0.58724%0.243SC*.THydrogen-bonded Turntrans-88.5-1.8177.769.80000113.9D198 N202D198-S200 VanDerWaalsContact CG-OG 3.28Å; D198-S200 PolarHBondContact O-N 2.9Å; D198-S200 WeakPolarHBondContact OD1-CB 3.4Å; D198-S200 PolarHBondContact OD1-N 3.47Å; D198-S200 PolarHBondContact OD1-OG 2.81Å; S200-N202 PolarHBondContact O-N 3.34Å
201Y84.2Confident91.3Very high32 Ų3243.2 Ų43.213%0.12524%0.239CC..PPolyproline II helixtrans-66128.9-172.1179.4-107000114E195 A196 D198 P203 S204 F207E195-Y201 HydrophobicContact CB-CD2 4.07Å; E195-Y201 HydrophobicContact CB-CE2 4.25Å; E195-Y201 HydrophobicContact CG-CD2 3.59Å; E195-Y201 HydrophobicContact CG-CE2 3.27Å; E195-Y201 VanDerWaalsContact O-CB 3.31Å; E195-Y201 WeakPolarHBondContact O-CB 3.44Å; A196-Y201 HydrophobicContact CB-CD1 4.01Å; A196-Y201 HydrophobicContact CB-CE1 4.06Å; D198-Y201 WeakPolarHBondContact O-CB 3.29Å; D198-Y201 PolarHBondContact O-N 3.15Å; Y201-P203 HydrophobicContact CE1-CB 4.49Å; Y201-P203 HydrophobicContact CE1-CG 4.43Å; Y201-S204 PolarHBondContact OH-N 3.44Å; Y201-F207 AromaticContact CE1-CD2 3.91Å; Y201-F207 HydrophobicContact CE1-CD2 3.91Å; Y201-F207 HydrophobicContact CE1-CE2 4.49Å
202N83.6Confident91.5Very high133 Ų13342.6 Ų42.671%0.71124%0.236SC*.PPolyproline II helixtrans-103.3125.5170.3-74.1-57.2000110.4S200S200-N202 PolarHBondContact O-N 3.34Å
203P84.3Confident91.7Very high55 Ų5540.8 Ų40.836%0.35723%0.228SC..PPolyproline II helixtrans-53.7140177.8-28.235.8000113.9L143 L145 Y201L143-P203 HydrophobicContact CD1-CB 3.96Å; L145-P203 HydrophobicContact CD1-CB 3.65Å; L145-P203 HydrophobicContact CD1-CG 4.05Å; L145-P203 HydrophobicContact CD2-CB 3.91Å; L145-P203 HydrophobicContact CG-CB 4.45Å; Y201-P203 HydrophobicContact CE1-CB 4.49Å; Y201-P203 HydrophobicContact CE1-CG 4.43Å
204S91.5Very high91.9Very high44 Ų4440.8 Ų40.831%0.30823%0.228SC..  trans-145.2164.2177.966.50000110.8Y201 A206 F207Y201-S204 PolarHBondContact OH-N 3.44Å; S204-A206 PolarHBondContact O-N 3.36Å; S204-A206 VanDerWaalsContact O-N 3.07Å; S204-F207 VanDerWaalsContact O-CB 3.23Å; S204-F207 WeakPolarHBondContact O-CB 3.47Å; S204-F207 PolarHBondContact O-N 3.28Å
205R95.4Very high92.1Very high117 Ų11740 Ų4044%0.44222%0.223SC..Hα-helixtrans-50.8-33.4175.2-69.6-175179.598.5-18.3113.2H136 P141 L143 F207 D208 I209H136-R205 HydrophobicContact CB-CG 4.41Å; H136-R205 PolarHBondContact CE1-O 2.66Å; H136-R205 PolarHBondContact O-NE 2.82Å; H136-R205 PolarHBondContact O-NH2 3.44Å; P141-R205 VanDerWaalsContact CG-CZ 3.47Å; L143-R205 HydrophobicContact CD2-CB 4.32Å; L143-R205 HydrophobicContact CD2-CG 3.7Å; R205-F207 PolarHBondContact O-N 3.22Å; R205-D208 PolarHBondContact O-N 3.31Å; R205-I209 WeakPolarHBondContact O-CG1 3.45Å; R205-I209 PolarHBondContact O-N 3.44Å
206A97.3Very high92.3Very high17 Ų1738.6 Ų38.614%0.1422%0.216CC..Hα-helixtrans-63.4-19.8179.400000113.8S204 Y210 P274 R277S204-A206 PolarHBondContact O-N 3.36Å; S204-A206 VanDerWaalsContact O-N 3.07Å; A206-Y210 PolarHBondContact O-N 3.29Å; A206-P274 HydrophobicContact CB-CB 3.62Å; A206-R277 WeakPolarHBondContact O-CD 3.49Å; A206-R277 PolarHBondContact O-NH1 3.3Å
207F95.7Very high92.7Very high13 Ų1338.2 Ų38.26%0.05721%0.21CC..Hα-helixtrans-61.9-55.5170.8-173.2-69.1000110.3L145 M192 P193 A196 Y201 S204 R205 I209 Y210 S211L145-F207 VanDerWaalsContact C-CE1 3.49Å; L145-F207 HydrophobicContact CB-CD1 4.37Å; L145-F207 HydrophobicContact CB-CE1 4.21Å; L145-F207 HydrophobicContact CD2-CB 3.71Å; L145-F207 HydrophobicContact CD2-CD1 3.73Å; L145-F207 HydrophobicContact CD2-CD2 4.02Å; L145-F207 HydrophobicContact CD2-CE1 4.33Å; L145-F207 HydrophobicContact CD2-CG 3.56Å; L145-F207 VanDerWaalsContact O-CE1 3.22Å; L145-F207 WeakPolarHBondContact O-CE1 3.42Å; L145-F207 WeakPolarHBondContact O-CZ 3.15Å; M192-F207 HydrophobicContact CE-CE2 4.44Å; M192-F207 HydrophobicContact CG-CZ 4.08Å; P193-F207 VanDerWaalsContact CD-CE2 3.49Å; P193-F207 HydrophobicContact CG-CB 4.3Å; P193-F207 HydrophobicContact CG-CD2 3.44Å; P193-F207 VanDerWaalsContact CG-CD2 3.44Å; P193-F207 HydrophobicContact CG-CE2 3.87Å; P193-F207 HydrophobicContact CG-CG 3.83Å; A196-F207 HydrophobicContact CB-CD2 4Å; A196-F207 HydrophobicContact CB-CE2 3.56Å; Y201-F207 AromaticContact CE1-CD2 3.91Å; Y201-F207 HydrophobicContact CE1-CD2 3.91Å; Y201-F207 HydrophobicContact CE1-CE2 4.49Å; S204-F207 VanDerWaalsContact O-CB 3.23Å; S204-F207 WeakPolarHBondContact O-CB 3.47Å; S204-F207 PolarHBondContact O-N 3.28Å; R205-F207 PolarHBondContact O-N 3.22Å; F207-I209 PolarHBondContact O-N 2.7Å; F207-Y210 WeakPolarHBondContact O-CB 3.49Å; F207-Y210 PolarHBondContact O-N 3.12Å; F207-S211 PolarHBondContact O-N 3.34Å; F207-S211 PolarHBondContact O-OG 2.87Å
208D96.9Very high93.1Very high0 Ų035.7 Ų35.70%020%0.199CC..Hα-helixtrans-62.1-34.2-176.2-65.1-22.3000111.5I132 H136 H144 L145 L147 R205 S211 F212I132-D208 HydrophobicContact CG2-CB 4.25Å; H136-D208 IonicContact CD2-OD2 3.68Å; H136-D208 IonicContact CE1-OD2 3.35Å; H136-D208 IonicContact NE2-OD2 2.78Å; H136-D208 PolarHBondContact NE2-OD2 3.07Å; H144-D208 PolarHBondContact N-OD1 2.76Å; H144-D208 PolarHBondContact N-OD2 3.44Å; L145-D208 WeakPolarHBondContact CA-OD1 3.45Å; L145-D208 PolarHBondContact N-OD1 2.75Å; L147-D208 HydrophobicContact CD1-CB 3.73Å; L147-D208 WeakPolarHBondContact CD1-O 3.3Å; R205-D208 PolarHBondContact O-N 3.31Å; D208-S211 PolarHBondContact O-N 3.34Å; D208-F212 WeakPolarHBondContact O-CB 3.5Å; D208-F212 PolarHBondContact O-N 3.08Å
209I98.7Very high93.7Very high4 Ų431.5 Ų31.52%0.02118%0.177CC..Hα-helixtrans-65.6-40.3175.1-54.9-59.2000111.8R205 F207 F212 G213 C269 R277 P278R205-I209 WeakPolarHBondContact O-CG1 3.45Å; R205-I209 PolarHBondContact O-N 3.44Å; F207-I209 PolarHBondContact O-N 2.7Å; I209-F212 WeakPolarHBondContact O-CB 3.36Å; I209-F212 PolarHBondContact O-N 3.02Å; I209-G213 PolarHBondContact O-N 3.44Å; I209-C269 HydrophobicContact CG2-CB 4.13Å; I209-C269 WeakPolarHBondContact O-CB 3.44Å; I209-R277 HydrophobicContact CB-CB 4.45Å; I209-R277 HydrophobicContact CG2-CB 3.96Å; I209-P278 WeakPolarHBondContact CG1-O 3.42Å; I209-P278 HydrophobicContact CG2-CG 4Å; I209-P278 WeakPolarHBondContact CG2-O 3.47Å
210Y98.5Very high94.6Very high0 Ų025 Ų250%014%0.138CC..Hα-helixtrans-64.1-48.7174.4-179.2-79.1000111.2M192 P193 A206 F207 F212 G213 I214 I238 R243 C269 W270M192-Y210 WeakPolarHBondContact O-CE1 3.39Å; P193-Y210 VanDerWaalsContact CA-CD1 3.42Å; P193-Y210 HydrophobicContact CB-CD1 3.8Å; P193-Y210 HydrophobicContact CB-CD2 3.92Å; P193-Y210 HydrophobicContact CB-CE1 4.4Å; P193-Y210 HydrophobicContact CB-CE2 4.5Å; P193-Y210 HydrophobicContact CB-CG 3.55Å; A206-Y210 PolarHBondContact O-N 3.29Å; F207-Y210 WeakPolarHBondContact O-CB 3.49Å; F207-Y210 PolarHBondContact O-N 3.12Å; Y210-F212 VanDerWaalsContact C-N 3.27Å; Y210-F212 PolarHBondContact O-N 2.73Å; Y210-G213 PolarHBondContact O-N 3.49Å; Y210-G213 VanDerWaalsContact O-N 3.08Å; Y210-I214 HydrophobicContact CD1-CG1 4.05Å; Y210-I214 HydrophobicContact CE1-CD1 4.1Å; Y210-I214 HydrophobicContact CE1-CG1 3.59Å; Y210-I214 PolarHBondContact O-N 3.35Å; Y210-I214 VanDerWaalsContact O-N 3.12Å; Y210-I238 WeakPolarHBondContact OH-CG2 3.37Å; Y210-R243 PolarHBondContact OH-NE 3.4Å; Y210-C269 WeakPolarHBondContact CA-O 3.43Å; Y210-W270 HydrophobicContact CD2-CB 3.94Å; Y210-W270 HydrophobicContact CE2-CB 3.79Å; Y210-W270 WeakPolarHBondContact CE2-O 3.4Å
211S97.9Very high95.2Very high1 Ų121.5 Ų21.51%0.00711%0.113CC..Hα-helixtrans-61.8-37.1179-56.40000111.6Y191 F207 D208 I214 L215Y191-S211 WeakPolarHBondContact O-CA 3.42Å; Y191-S211 WeakPolarHBondContact O-CB 3.45Å; Y191-S211 PolarHBondContact O-OG 3.03Å; F207-S211 PolarHBondContact O-N 3.34Å; F207-S211 PolarHBondContact O-OG 2.87Å; D208-S211 PolarHBondContact O-N 3.34Å; S211-I214 PolarHBondContact O-N 3.01Å; S211-L215 VanDerWaalsContact O-CB 3.27Å; S211-L215 WeakPolarHBondContact O-CB 3.21Å; S211-L215 PolarHBondContact O-N 3.08Å
212F98.7Very high95.7Very high2 Ų220.7 Ų20.71%0.00912%0.115CC..Hα-helixtrans-59.1-47.1170.3179.4-111.7000111.9I128 A129 I132 D208 I209 Y210 I214 L215 L216 L265 C283 M287I128-F212 HydrophobicContact CB-CE2 4.24Å; I128-F212 HydrophobicContact CG2-CD2 3.65Å; I128-F212 HydrophobicContact CG2-CE2 3.66Å; A129-F212 HydrophobicContact CB-CE2 4.16Å; A129-F212 HydrophobicContact CB-CZ 3.82Å; I132-F212 HydrophobicContact CD1-CB 3.9Å; I132-F212 HydrophobicContact CD1-CD2 3.6Å; I132-F212 HydrophobicContact CD1-CE2 4.39Å; I132-F212 HydrophobicContact CD1-CG 3.93Å; D208-F212 WeakPolarHBondContact O-CB 3.5Å; D208-F212 PolarHBondContact O-N 3.08Å; I209-F212 WeakPolarHBondContact O-CB 3.36Å; I209-F212 PolarHBondContact O-N 3.02Å; Y210-F212 VanDerWaalsContact C-N 3.27Å; Y210-F212 PolarHBondContact O-N 2.73Å; F212-I214 VanDerWaalsContact C-N 3.32Å; F212-I214 PolarHBondContact O-N 3.46Å; F212-L215 CarbonylContact O-C 3.59Å; F212-L215 WeakPolarHBondContact O-CB 3.45Å; F212-L215 PolarHBondContact O-N 3.38Å; F212-L215 VanDerWaalsContact O-N 3.08Å; F212-L216 HydrophobicContact CD1-CD1 4.15Å; F212-L216 HydrophobicContact CD1-CG 4.24Å; F212-L216 HydrophobicContact CD2-CD2 4.49Å; F212-L216 HydrophobicContact CD2-CG 4.49Å; F212-L216 HydrophobicContact CE1-CD1 3.71Å; F212-L216 HydrophobicContact CE1-CD2 4.05Å; F212-L216 HydrophobicContact CE1-CG 3.94Å; F212-L216 HydrophobicContact CE2-CD2 3.79Å; F212-L216 HydrophobicContact CE2-CG 4.21Å; F212-L216 HydrophobicContact CZ-CD1 4.09Å; F212-L216 HydrophobicContact CZ-CD2 3.55Å; F212-L216 HydrophobicContact CZ-CG 3.93Å; F212-L216 WeakPolarHBondContact O-CG 3.4Å; F212-L216 PolarHBondContact O-N 3.19Å; F212-L265 HydrophobicContact CE1-CD2 4.43Å; F212-C283 HydrophobicContact CD1-CB 4.3Å; F212-C283 HydrophobicContact CE1-CB 3.82Å; F212-M287 HydrophobicContact CZ-CG 4.06Å; F212-M287 HydrophobicContact CZ-SD 3.95Å
213G98.6Very high96.2Very high0 Ų018.9 Ų18.90%010%0.1CC..Hα-helixtrans-57.5-40.3175.700000114I209 Y210 W217 C269I209-G213 PolarHBondContact O-N 3.44Å; Y210-G213 PolarHBondContact O-N 3.49Å; Y210-G213 VanDerWaalsContact O-N 3.08Å; G213-W217 PolarHBondContact O-N 3.08Å; G213-C269 VanDerWaalsContact CA-CB 3.5Å
214I98.3Very high96.5Very high0 Ų022.1 Ų22.10%011%0.109CC..Hα-helixtrans-71.7-35.2174.9-57.2-69.5000111.5Y191 Y210 S211 F212 W217 S218 P225 P244 W270Y191-I214 HydrophobicContact CD1-CB 3.98Å; Y191-I214 HydrophobicContact CD1-CG2 3.52Å; Y191-I214 HydrophobicContact CE1-CG2 3.8Å; Y191-I214 HydrophobicContact CG-CG2 4.27Å; Y210-I214 HydrophobicContact CD1-CG1 4.05Å; Y210-I214 HydrophobicContact CE1-CD1 4.1Å; Y210-I214 HydrophobicContact CE1-CG1 3.59Å; Y210-I214 PolarHBondContact O-N 3.35Å; Y210-I214 VanDerWaalsContact O-N 3.12Å; S211-I214 PolarHBondContact O-N 3.01Å; F212-I214 VanDerWaalsContact C-N 3.32Å; F212-I214 PolarHBondContact O-N 3.46Å; I214-W217 PolarHBondContact O-N 3.46Å; I214-S218 PolarHBondContact O-N 3.39Å; I214-P225 HydrophobicContact CG2-CB 4.09Å; I214-P225 HydrophobicContact CG2-CG 3.5Å; I214-P244 HydrophobicContact CD1-CG 4.03Å; I214-W270 HydrophobicContact CD1-CB 4.43Å; I214-W270 HydrophobicContact CD1-CD2 4.44Å; I214-W270 HydrophobicContact CD1-CE3 3.72Å; I214-W270 HydrophobicContact CD1-CZ3 4.33Å
215L98.3Very high96.6Very high0 Ų020 Ų200%09%0.094CC..Hα-helixtrans-68.1-40.3176.4-179.358.1000112.1L105 I128 P149 V152 S211 F212 W217 S218 I219L105-L215 HydrophobicContact CD2-CD1 3.98Å; I128-L215 HydrophobicContact CD1-CD2 4.18Å; I128-L215 HydrophobicContact CG2-CD2 4.12Å; P149-L215 HydrophobicContact CG-CD1 3.72Å; V152-L215 HydrophobicContact CG2-CD2 4.07Å; S211-L215 VanDerWaalsContact O-CB 3.27Å; S211-L215 WeakPolarHBondContact O-CB 3.21Å; S211-L215 PolarHBondContact O-N 3.08Å; F212-L215 CarbonylContact O-C 3.59Å; F212-L215 WeakPolarHBondContact O-CB 3.45Å; F212-L215 PolarHBondContact O-N 3.38Å; F212-L215 VanDerWaalsContact O-N 3.08Å; L215-W217 VanDerWaalsContact C-N 3.31Å; L215-W217 PolarHBondContact O-N 3.43Å; L215-S218 PolarHBondContact O-N 2.8Å; L215-S218 VanDerWaalsContact O-N 3.15Å; L215-I219 HydrophobicContact CD1-CD1 4.26Å; L215-I219 HydrophobicContact CD1-CG1 4.42Å; L215-I219 HydrophobicContact CG-CD1 4.06Å; L215-I219 WeakPolarHBondContact O-CG1 3.27Å; L215-I219 PolarHBondContact O-N 3.23Å
216L98.4Very high96.4Very high2 Ų215.3 Ų15.31%0.018%0.076CC..Hα-helixtrans-53.8-47.7171-72.1-174.7000111.1T125 F212 I219 A220 L262 L265 M266 M287T125-L216 HydrophobicContact CG2-CD2 3.37Å; F212-L216 HydrophobicContact CD1-CD1 4.15Å; F212-L216 HydrophobicContact CD1-CG 4.24Å; F212-L216 HydrophobicContact CD2-CD2 4.49Å; F212-L216 HydrophobicContact CD2-CG 4.49Å; F212-L216 HydrophobicContact CE1-CD1 3.71Å; F212-L216 HydrophobicContact CE1-CD2 4.05Å; F212-L216 HydrophobicContact CE1-CG 3.94Å; F212-L216 HydrophobicContact CE2-CD2 3.79Å; F212-L216 HydrophobicContact CE2-CG 4.21Å; F212-L216 HydrophobicContact CZ-CD1 4.09Å; F212-L216 HydrophobicContact CZ-CD2 3.55Å; F212-L216 HydrophobicContact CZ-CG 3.93Å; F212-L216 WeakPolarHBondContact O-CG 3.4Å; F212-L216 PolarHBondContact O-N 3.19Å; L216-I219 PolarHBondContact O-N 3.3Å; L216-A220 WeakPolarHBondContact O-CB 3.28Å; L216-A220 PolarHBondContact O-N 2.95Å; L216-L262 HydrophobicContact CD1-CD1 4.21Å; L216-L262 HydrophobicContact CD2-CD1 4.34Å; L216-L265 HydrophobicContact CD1-CD2 4.11Å; L216-L265 HydrophobicContact CD1-CG 4.28Å; L216-M266 HydrophobicContact CB-CE 3.99Å; L216-M266 HydrophobicContact CB-CG 3.77Å; L216-M266 HydrophobicContact CB-SD 4.24Å; L216-M266 HydrophobicContact CD1-CG 3.97Å; L216-M287 HydrophobicContact CD2-SD 3.71Å
217W97.8Very high95.8Very high11 Ų1118.8 Ų18.84%0.04210%0.098CC..Hα-helixtrans-63.1-41.5176.5178.992.4000112.5G213 I214 L215 I219 A220 T221 K223 P225 P244 S245 I249 M266 W270G213-W217 PolarHBondContact O-N 3.08Å; I214-W217 PolarHBondContact O-N 3.46Å; L215-W217 VanDerWaalsContact C-N 3.31Å; L215-W217 PolarHBondContact O-N 3.43Å; W217-I219 PolarHBondContact O-N 3.46Å; W217-A220 PolarHBondContact O-N 3.44Å; W217-T221 HydrophobicContact CD2-CG2 4.18Å; W217-T221 HydrophobicContact CZ2-CG2 3.91Å; W217-T221 WeakPolarHBondContact O-CB 3.47Å; W217-T221 WeakPolarHBondContact O-CG2 3.38Å; W217-T221 PolarHBondContact O-N 3.37Å; W217-T221 PolarHBondContact O-OG1 3.23Å; W217-K223 HydrophobicContact CH2-CB 3.77Å; W217-K223 HydrophobicContact CZ3-CB 4.04Å; W217-P225 HydrophobicContact CE3-CB 4.49Å; W217-P225 HydrophobicContact CE3-CG 4.04Å; W217-P225 HydrophobicContact CZ3-CB 4.23Å; W217-P225 HydrophobicContact CZ3-CG 4.01Å; W217-P244 HydrophobicContact CD2-CB 3.4Å; W217-P244 HydrophobicContact CD2-CG 4.09Å; W217-P244 HydrophobicContact CE3-CB 3.83Å; W217-P244 HydrophobicContact CE3-CG 4.2Å; W217-P244 HydrophobicContact CG-CB 3.85Å; W217-P244 HydrophobicContact CG-CG 4.42Å; W217-P244 HydrophobicContact CH2-CB 4.1Å; W217-P244 HydrophobicContact CZ2-CB 3.68Å; W217-P244 HydrophobicContact CZ3-CB 4.17Å; W217-S245 PolarHBondContact NE1-O 3.05Å; W217-I249 HydrophobicContact CG-CD1 4.39Å; W217-M266 HydrophobicContact CB-SD 3.76Å; W217-W270 HydrophobicContact CB-CH2 4.44Å; W217-W270 HydrophobicContact CB-CZ3 3.86Å; W217-W270 HydrophobicContact CG-CZ3 4.29Å
218S97.3Very high95.3Very high0 Ų026 Ų260%014%0.137CC..Hα-helixtrans-64-40.7177.7-171.90000111.6Q109 I214 L215 G222 K223Q109-S218 VanDerWaalsContact NE2-C 3.29Å; Q109-S218 PolarHBondContact NE2-O 3.32Å; Q109-S218 PolarHBondContact NE2-OG 2.9Å; I214-S218 PolarHBondContact O-N 3.39Å; L215-S218 PolarHBondContact O-N 2.8Å; L215-S218 VanDerWaalsContact O-N 3.15Å; S218-G222 CarbonylContact O-C 3.34Å; S218-G222 VanDerWaalsContact O-CA 3.25Å; S218-G222 WeakPolarHBondContact O-CA 3.43Å; S218-G222 PolarHBondContact O-N 3.05Å; S218-K223 WeakPolarHBondContact CA-O 3.21Å; S218-K223 WeakPolarHBondContact CB-O 3.46Å; S218-K223 PolarHBondContact O-N 3.23Å; S218-K223 PolarHBondContact OG-O 3.21Å
219I97.6Very high94.7Very high1 Ų127 Ų271%0.00515%0.145CC..Hα-helixtrans-64.1-51174.9-67.5162.6000110.4L105 P115 P116 A121 T125 I128 L215 L216 W217 T221 G222L105-I219 HydrophobicContact CD1-CG1 4.31Å; L105-I219 HydrophobicContact CD2-CD1 3.72Å; L105-I219 HydrophobicContact CD2-CG1 3.58Å; L105-I219 HydrophobicContact CG-CG1 4.44Å; P115-I219 WeakPolarHBondContact CB-O 3.22Å; P116-I219 HydrophobicContact CG-CG2 4.22Å; A121-I219 HydrophobicContact CB-CG2 4Å; T125-I219 HydrophobicContact CG2-CB 4.3Å; T125-I219 HydrophobicContact CG2-CD1 3.66Å; T125-I219 HydrophobicContact CG2-CG2 4.03Å; I128-I219 HydrophobicContact CD1-CD1 3.67Å; L215-I219 HydrophobicContact CD1-CD1 4.26Å; L215-I219 HydrophobicContact CD1-CG1 4.42Å; L215-I219 HydrophobicContact CG-CD1 4.06Å; L215-I219 WeakPolarHBondContact O-CG1 3.27Å; L215-I219 PolarHBondContact O-N 3.23Å; L216-I219 PolarHBondContact O-N 3.3Å; W217-I219 PolarHBondContact O-N 3.46Å; I219-T221 VanDerWaalsContact C-N 3.26Å; I219-T221 PolarHBondContact O-N 3.15Å; I219-G222 PolarHBondContact O-N 2.78Å
220A96.3Very high94.1Very high8 Ų832.7 Ų32.77%0.06618%0.175CC..Hα-helixtrans-62.6-29-177.200000114.1P115 W118 L216 W217 I249 L262 M266P115-A220 WeakPolarHBondContact CB-O 3.29Å; W118-A220 HydrophobicContact CH2-CB 3.86Å; W118-A220 HydrophobicContact CZ3-CB 4.17Å; L216-A220 WeakPolarHBondContact O-CB 3.28Å; L216-A220 PolarHBondContact O-N 2.95Å; W217-A220 PolarHBondContact O-N 3.44Å; A220-I249 HydrophobicContact CB-CD1 3.78Å; A220-I249 HydrophobicContact CB-CG1 4.26Å; A220-L262 HydrophobicContact CB-CD2 4.44Å; A220-M266 HydrophobicContact CB-CE 3.77Å
221T94.9Very high93.5Very high11 Ų1134.4 Ų34.47%0.06719%0.187CC..Hα-helixtrans-101.5-19179.858.40000114.1W217 I219 K223 D248 I249W217-T221 HydrophobicContact CD2-CG2 4.18Å; W217-T221 HydrophobicContact CZ2-CG2 3.91Å; W217-T221 WeakPolarHBondContact O-CB 3.47Å; W217-T221 WeakPolarHBondContact O-CG2 3.38Å; W217-T221 PolarHBondContact O-N 3.37Å; W217-T221 PolarHBondContact O-OG1 3.23Å; I219-T221 VanDerWaalsContact C-N 3.26Å; I219-T221 PolarHBondContact O-N 3.15Å; T221-K223 PolarHBondContact O-N 2.58Å; T221-K223 WeakPolarHBondContact OG1-CB 3.4Å; T221-K223 PolarHBondContact OG1-N 2.73Å; T221-K223 VanDerWaalsContact OG1-N 3.15Å; T221-D248 HydrophobicContact CG2-CB 3.93Å; T221-I249 HydrophobicContact CG2-CD1 4.04Å; T221-I249 HydrophobicContact CG2-CG1 3.58Å
222G94.6Very high92.9Very high16 Ų1637.5 Ų37.517%0.16521%0.212CC..  trans68.26.4-164.900000114.4S218 I219S218-G222 CarbonylContact O-C 3.34Å; S218-G222 VanDerWaalsContact O-CA 3.25Å; S218-G222 WeakPolarHBondContact O-CA 3.43Å; S218-G222 PolarHBondContact O-N 3.05Å; I219-G222 PolarHBondContact O-N 2.78Å
223K92.9Very high92.4Very high95 Ų9541.1 Ų41.141%0.41323%0.231SC..PPolyproline II helixtrans-103.1153.8-169.9-61.6178.7-167.4-175.30112.4W217 S218 T221 D248W217-K223 HydrophobicContact CH2-CB 3.77Å; W217-K223 HydrophobicContact CZ3-CB 4.04Å; S218-K223 WeakPolarHBondContact CA-O 3.21Å; S218-K223 WeakPolarHBondContact CB-O 3.46Å; S218-K223 PolarHBondContact O-N 3.23Å; S218-K223 PolarHBondContact OG-O 3.21Å; T221-K223 PolarHBondContact O-N 2.58Å; T221-K223 WeakPolarHBondContact OG1-CB 3.4Å; T221-K223 PolarHBondContact OG1-N 2.73Å; T221-K223 VanDerWaalsContact OG1-N 3.15Å; K223-D248 IonicContact NZ-OD1 2.65Å; K223-D248 PolarHBondContact NZ-OD1 3.18Å; K223-D248 IonicContact NZ-OD2 3.97Å; K223-D248 PolarHBondContact NZ-OD2 3.06Å
224K91.9Very high91.9Very high122 Ų12241.1 Ų41.153%0.5323%0.231SC..PPolyproline II helixtrans-82127.2169.6-169.5173.5-174166.50109.8
225P92.4Very high91.5Very high0 Ų046.8 Ų46.80%025%0.252CS..SBendtrans-58.8141.8178.7-21.329.8000111.9R190 Y191 I214 W217 P244R190-P225 HydrophobicContact CB-CB 4.34Å; R190-P225 WeakPolarHBondContact CD-O 3.37Å; R190-P225 PolarHBondContact NH1-O 3.09Å; Y191-P225 HydrophobicContact CE1-CG 4.01Å; Y191-P225 VanDerWaalsContact OH-CD 3.28Å; Y191-P225 WeakPolarHBondContact OH-CD 3.38Å; I214-P225 HydrophobicContact CG2-CB 4.09Å; I214-P225 HydrophobicContact CG2-CG 3.5Å; W217-P225 HydrophobicContact CE3-CB 4.49Å; W217-P225 HydrophobicContact CE3-CG 4.04Å; W217-P225 HydrophobicContact CZ3-CB 4.23Å; W217-P225 HydrophobicContact CZ3-CG 4.01Å; P225-P244 HydrophobicContact CB-CG 4.19Å
226Y90.8Very high91.1Very high18 Ų1851.8 Ų51.87%0.07128%0.278CS..SBendtrans51.960.2-178.3-43.3-75.8000113R190 N228 A229 V234 I238 D242 R243R190-Y226 HydrophobicContact CB-CD2 4.27Å; R190-Y226 HydrophobicContact CG-CD2 4.29Å; R190-Y226 VanDerWaalsContact CZ-O 3.29Å; R190-Y226 PolarHBondContact NH1-O 3.08Å; R190-Y226 PolarHBondContact NH2-O 2.98Å; Y226-N228 PolarHBondContact O-N 2.81Å; Y226-A229 WeakPolarHBondContact O-CB 3.48Å; Y226-A229 PolarHBondContact O-N 2.8Å; Y226-V234 HydrophobicContact CD2-CG1 3.95Å; Y226-V234 HydrophobicContact CD2-CG2 4.48Å; Y226-V234 HydrophobicContact CE2-CG1 4.3Å; Y226-V234 HydrophobicContact CG-CG1 4.45Å; Y226-V234 HydrophobicContact CG-CG2 4.31Å; Y226-I238 HydrophobicContact CE2-CD1 3.9Å; Y226-I238 HydrophobicContact CE2-CG1 4.07Å; Y226-D242 VanDerWaalsContact CE1-OD2 3.27Å; Y226-D242 WeakPolarHBondContact CE1-OD2 3.26Å; Y226-D242 PolarHBondContact OH-O 2.95Å; Y226-R243 WeakPolarHBondContact OH-CA 3.39Å
227P85.6Confident90.8Very high91 Ų9157.1 Ų57.159%0.59130%0.298SS*.THydrogen-bonded Turntrans-55.7142.2-179.926-34.7000110.5A229P227-A229 PolarHBondContact O-N 3.31Å
228N85Confident90.6Very high165 Ų16556.6 Ų56.688%0.88230%0.296SS*.THydrogen-bonded Turntrans59.7-3.6180-50.7-27.9000116.8Y226Y226-N228 PolarHBondContact O-N 2.81Å
229A84.9Confident90.4Very high20 Ų2059.6 Ų59.617%0.16532%0.315CS..  trans-72.5130.8176.800000111.9R190 Y226 P227 V234R190-A229 PolarHBondContact NH2-O 3.45Å; Y226-A229 WeakPolarHBondContact O-CB 3.48Å; Y226-A229 PolarHBondContact O-N 2.8Å; P227-A229 PolarHBondContact O-N 3.31Å; A229-V234 HydrophobicContact CB-CG2 3.69Å
230L86.5Confident90.3Very high123 Ų12367.1 Ų67.164%0.64435%0.352SS*.  trans-64.5142.2170.2-62.9178000110.7A232 I233 V234L230-A232 PolarHBondContact O-N 3.33Å; L230-A232 VanDerWaalsContact O-N 3.09Å; L230-I233 HydrophobicContact CB-CD1 4.14Å; L230-I233 HydrophobicContact CB-CG1 4.28Å; L230-I233 HydrophobicContact CD1-CD1 4.46Å; L230-I233 HydrophobicContact CG-CD1 4.48Å; L230-I233 WeakPolarHBondContact O-CA 3.45Å; L230-I233 WeakPolarHBondContact O-CB 3.34Å; L230-I233 PolarHBondContact O-N 3.03Å; L230-V234 PolarHBondContact O-N 2.85Å; L230-V234 VanDerWaalsContact O-N 3.13Å
231S85.1Confident90.2Very high37 Ų3768.5 Ų68.526%0.25937%0.367SS..Hα-helixtrans-56.1-31.6-177.5-41.70000113.7G186 R235G186-S231 WeakPolarHBondContact CA-OG 3.22Å; S231-R235 WeakPolarHBondContact O-CG 3.34Å; S231-R235 PolarHBondContact O-N 2.84Å; S231-R235 VanDerWaalsContact O-N 3.17Å
232A85.6Confident90.3Very high65 Ų6570.1 Ų70.154%0.53738%0.376SS..Hα-helixtrans-66.1-37.9174.600000112.7L230L230-A232 PolarHBondContact O-N 3.33Å; L230-A232 VanDerWaalsContact O-N 3.09Å
233I87.8Confident90.3Very high78 Ų7871.1 Ų71.140%0.437%0.374SS..Hα-helixtrans-70.8-41.6177.6-60.1172.9000110L230 R235 I236 R237L230-I233 HydrophobicContact CB-CD1 4.14Å; L230-I233 HydrophobicContact CB-CG1 4.28Å; L230-I233 HydrophobicContact CD1-CD1 4.46Å; L230-I233 HydrophobicContact CG-CD1 4.48Å; L230-I233 WeakPolarHBondContact O-CA 3.45Å; L230-I233 WeakPolarHBondContact O-CB 3.34Å; L230-I233 PolarHBondContact O-N 3.03Å; I233-R235 VanDerWaalsContact C-N 3.34Å; I233-R235 PolarHBondContact O-N 2.77Å; I233-I236 PolarHBondContact O-N 2.83Å; I233-I236 VanDerWaalsContact O-N 3.07Å; I233-R237 HydrophobicContact CG2-CG 4.09Å; I233-R237 PolarHBondContact O-N 3.03Å
234V89.1Confident90.4Very high0 Ų067.1 Ų67.10%036%0.358CS..Hα-helixtrans-60.5-41.7177.7-179.70000111.5I189 R190 Y226 A229 L230 I236 R237 I238I189-V234 HydrophobicContact CG2-CB 4.21Å; I189-V234 HydrophobicContact CG2-CG1 3.93Å; R190-V234 HydrophobicContact CG-CG1 4.34Å; Y226-V234 HydrophobicContact CD2-CG1 3.95Å; Y226-V234 HydrophobicContact CD2-CG2 4.48Å; Y226-V234 HydrophobicContact CE2-CG1 4.3Å; Y226-V234 HydrophobicContact CG-CG1 4.45Å; Y226-V234 HydrophobicContact CG-CG2 4.31Å; A229-V234 HydrophobicContact CB-CG2 3.69Å; L230-V234 PolarHBondContact O-N 2.85Å; L230-V234 VanDerWaalsContact O-N 3.13Å; V234-I236 PolarHBondContact O-N 3.42Å; V234-R237 PolarHBondContact O-N 3.16Å; V234-I238 HydrophobicContact CG1-CD1 3.53Å; V234-I238 HydrophobicContact CG1-CG1 4.13Å; V234-I238 PolarHBondContact O-N 2.86Å; V234-I238 VanDerWaalsContact O-N 3.12Å
235R88Confident90.5Very high119 Ų11963.9 Ų63.945%0.44935%0.351SS..Hα-helixtrans-60.4-22.8174.7-72.6-174.1-131.6-127.67.4114.2I189 F197 S231 I233 P239I189-R235 VanDerWaalsContact CD1-CZ 3.41Å; I189-R235 HydrophobicContact CG2-CG 3.82Å; F197-R235 HydrophobicContact CD1-CB 4.45Å; F197-R235 HydrophobicContact CD1-CG 3.94Å; F197-R235 HydrophobicContact CE1-CB 4.49Å; F197-R235 HydrophobicContact CE1-CG 3.77Å; F197-R235 HydrophobicContact CZ-CG 4.38Å; S231-R235 WeakPolarHBondContact O-CG 3.34Å; S231-R235 PolarHBondContact O-N 2.84Å; S231-R235 VanDerWaalsContact O-N 3.17Å; I233-R235 VanDerWaalsContact C-N 3.34Å; I233-R235 PolarHBondContact O-N 2.77Å; R235-P239 WeakPolarHBondContact O-CD 3.31Å; R235-P239 VanDerWaalsContact O-CG 3.29Å; R235-P239 WeakPolarHBondContact O-CG 3.45Å
236I90.1Very high90.6Very high106 Ų10664.5 Ų64.554%0.54435%0.354SS..Hα-helixtrans-91.9-44.9177.5-62.8168000110.5I233 V234 P239 M240I233-I236 PolarHBondContact O-N 2.83Å; I233-I236 VanDerWaalsContact O-N 3.07Å; V234-I236 PolarHBondContact O-N 3.42Å; I236-P239 WeakPolarHBondContact O-CD 3.25Å; I236-M240 HydrophobicContact CG2-SD 3.98Å; I236-M240 WeakPolarHBondContact O-CG 3.31Å; I236-M240 PolarHBondContact O-N 2.87Å
237R92.6Very high90.5Very high114 Ų11467.9 Ų67.943%0.4337%0.373SS..Hα-helixtrans-63.7-43.6-176.7-74.1-179.462.8146.81.8112.8I233 V234 M240 G241 D242I233-R237 HydrophobicContact CG2-CG 4.09Å; I233-R237 PolarHBondContact O-N 3.03Å; V234-R237 PolarHBondContact O-N 3.16Å; R237-M240 WeakPolarHBondContact O-CB 3.33Å; R237-M240 PolarHBondContact O-N 3.41Å; R237-M240 VanDerWaalsContact O-N 3.11Å; R237-G241 PolarHBondContact O-N 2.94Å; R237-D242 HydrophobicContact CB-CB 3.87Å; R237-D242 IonicContact CZ-OD1 3.14Å; R237-D242 IonicContact CZ-OD2 2.68Å; R237-D242 IonicContact NE-OD2 3.26Å; R237-D242 PolarHBondContact NE-OD2 2.85Å; R237-D242 IonicContact NH2-OD1 2.79Å; R237-D242 PolarHBondContact NH2-OD1 2.79Å; R237-D242 IonicContact NH2-OD2 2.76Å; R237-D242 PolarHBondContact NH2-OD2 2.81Å; R237-D242 WeakPolarHBondContact O-CB 3.36Å; R237-D242 PolarHBondContact O-N 3.46Å; R237-D242 VanDerWaalsContact O-N 3.16Å
238I94Very high90.4Very high0 Ų066.8 Ų66.80%036%0.363CS..THydrogen-bonded Turntrans-60.9-48.7-177.5-69.8174.7000112.5P194 F197 Y210 Y226 V234 M240 G241 R243P194-I238 HydrophobicContact CB-CG2 4.01Å; F197-I238 HydrophobicContact CE2-CB 4.05Å; F197-I238 HydrophobicContact CE2-CD1 4.42Å; F197-I238 HydrophobicContact CE2-CG2 3.92Å; F197-I238 HydrophobicContact CZ-CD1 4.46Å; Y210-I238 WeakPolarHBondContact OH-CG2 3.37Å; Y226-I238 HydrophobicContact CE2-CD1 3.9Å; Y226-I238 HydrophobicContact CE2-CG1 4.07Å; V234-I238 HydrophobicContact CG1-CD1 3.53Å; V234-I238 HydrophobicContact CG1-CG1 4.13Å; V234-I238 PolarHBondContact O-N 2.86Å; V234-I238 VanDerWaalsContact O-N 3.12Å; I238-M240 VanDerWaalsContact C-N 3.3Å; I238-M240 PolarHBondContact O-N 3.22Å; I238-G241 PolarHBondContact O-N 3.48Å; I238-G241 VanDerWaalsContact O-N 3.08Å; I238-R243 PolarHBondContact O-NH1 2.82Å
239P93.8Very high90.6Very high62 Ų6259 Ų5940%0.40332%0.321SS..THydrogen-bonded Turntrans-57.2-34.6170.4-30.938000115.3P194 F197 R235 I236 G241P194-P239 HydrophobicContact CB-CG 4.4Å; F197-P239 HydrophobicContact CD2-CG 3.8Å; R235-P239 WeakPolarHBondContact O-CD 3.31Å; R235-P239 VanDerWaalsContact O-CG 3.29Å; R235-P239 WeakPolarHBondContact O-CG 3.45Å; I236-P239 WeakPolarHBondContact O-CD 3.25Å; P239-G241 PolarHBondContact O-N 3.21Å; P239-G241 VanDerWaalsContact O-N 3.14Å
240M95.1Very high90.6Very high159 Ų15963.6 Ų63.678%0.78333%0.334SS*.THydrogen-bonded Turntrans-70.7-0.1175.3-70.9-179.3140.200113.9I236 R237 I238I236-M240 HydrophobicContact CG2-SD 3.98Å; I236-M240 WeakPolarHBondContact O-CG 3.31Å; I236-M240 PolarHBondContact O-N 2.87Å; R237-M240 WeakPolarHBondContact O-CB 3.33Å; R237-M240 PolarHBondContact O-N 3.41Å; R237-M240 VanDerWaalsContact O-N 3.11Å; I238-M240 VanDerWaalsContact C-N 3.3Å; I238-M240 PolarHBondContact O-N 3.22Å
241G94.6Very high90.1Very high37 Ų3763.2 Ų63.238%0.38134%0.341SS..THydrogen-bonded Turntrans92.43.2177.800000114.6R237 I238 P239R237-G241 PolarHBondContact O-N 2.94Å; I238-G241 PolarHBondContact O-N 3.48Å; I238-G241 VanDerWaalsContact O-N 3.08Å; P239-G241 PolarHBondContact O-N 3.21Å; P239-G241 VanDerWaalsContact O-N 3.14Å
242D95.4Very high89.6Confident45 Ų4564.6 Ų64.624%0.24135%0.348CS..  trans-63.3140.5175.7-17349.5000111.4Y226 R237Y226-D242 VanDerWaalsContact CE1-OD2 3.27Å; Y226-D242 WeakPolarHBondContact CE1-OD2 3.26Å; Y226-D242 PolarHBondContact OH-O 2.95Å; R237-D242 HydrophobicContact CB-CB 3.87Å; R237-D242 IonicContact CZ-OD1 3.14Å; R237-D242 IonicContact CZ-OD2 2.68Å; R237-D242 IonicContact NE-OD2 3.26Å; R237-D242 PolarHBondContact NE-OD2 2.85Å; R237-D242 IonicContact NH2-OD1 2.79Å; R237-D242 PolarHBondContact NH2-OD1 2.79Å; R237-D242 IonicContact NH2-OD2 2.76Å; R237-D242 PolarHBondContact NH2-OD2 2.81Å; R237-D242 WeakPolarHBondContact O-CB 3.36Å; R237-D242 PolarHBondContact O-N 3.46Å; R237-D242 VanDerWaalsContact O-N 3.16Å
243R96.1Very high88.1Confident37 Ų3764.9 Ų64.914%0.1434%0.34CS..  trans-142.2159.2-178.1-65.1-62.2-179.3-84.2-3.6110Y210 Y226 I238 W270 S272Y210-R243 PolarHBondContact OH-NE 3.4Å; Y226-R243 WeakPolarHBondContact OH-CA 3.39Å; I238-R243 PolarHBondContact O-NH1 2.82Å; R243-W270 HydrophobicContact CB-CZ2 4.39Å; R243-W270 HydrophobicContact CG-CD2 4.43Å; R243-W270 HydrophobicContact CG-CG 4.3Å; R243-W270 PolarHBondContact NE-O 3.2Å; R243-W270 PolarHBondContact NH2-O 3.33Å; R243-S272 PolarHBondContact NH2-OG 2.97Å
244P95Very high86.7Confident11 Ų1166.5 Ų66.57%0.07137%0.365CS..  trans-58.5140.1173.4-21.534.9000111.3I214 W217 P225I214-P244 HydrophobicContact CD1-CG 4.03Å; W217-P244 HydrophobicContact CD2-CB 3.4Å; W217-P244 HydrophobicContact CD2-CG 4.09Å; W217-P244 HydrophobicContact CE3-CB 3.83Å; W217-P244 HydrophobicContact CE3-CG 4.2Å; W217-P244 HydrophobicContact CG-CB 3.85Å; W217-P244 HydrophobicContact CG-CG 4.42Å; W217-P244 HydrophobicContact CH2-CB 4.1Å; W217-P244 HydrophobicContact CZ2-CB 3.68Å; W217-P244 HydrophobicContact CZ3-CB 4.17Å; P225-P244 HydrophobicContact CB-CG 4.19Å
245S93.5Very high85.9Confident54 Ų5470 Ų7038%0.37840%0.402SS..  trans-67.4136-179.9171.80000111.2W217 D247W217-S245 PolarHBondContact NE1-O 3.05Å; S245-D247 VanDerWaalsContact C-N 3.32Å; S245-D247 WeakPolarHBondContact OG-CB 3.47Å; S245-D247 PolarHBondContact OG-N 3.33Å; S245-D247 PolarHBondContact OG-OD2 3.29Å
246L93.1Very high86Confident13 Ų1365.8 Ų65.87%0.06839%0.389CS..SBendtrans-84-6.1174.4-68.2166.6000113D248 I249 R250 I263 M266 Q267 W270L246-D248 VanDerWaalsContact C-N 3.31Å; L246-D248 PolarHBondContact O-N 2.73Å; L246-I249 HydrophobicContact CD2-CD1 4.17Å; L246-I249 WeakPolarHBondContact O-CB 3.04Å; L246-I249 PolarHBondContact O-N 3.49Å; L246-R250 WeakPolarHBondContact O-CG 3.44Å; L246-R250 PolarHBondContact O-N 2.96Å; L246-I263 HydrophobicContact CD1-CG2 3.74Å; L246-I263 HydrophobicContact CD2-CG1 4.45Å; L246-I263 HydrophobicContact CD2-CG2 4.04Å; L246-I263 HydrophobicContact CG-CG2 4.41Å; L246-M266 HydrophobicContact CD2-SD 4.23Å; L246-Q267 HydrophobicContact CD1-CG 3.88Å; L246-W270 HydrophobicContact CD1-CZ2 4.22Å; L246-W270 HydrophobicContact CD2-CH2 3.78Å; L246-W270 HydrophobicContact CD2-CZ2 4.09Å; L246-W270 HydrophobicContact CG-CH2 4.25Å; L246-W270 HydrophobicContact CG-CZ2 4.2Å
247D90.5Very high86.1Confident89 Ų8963.1 Ų63.148%0.47638%0.383SS..Hα-helixtrans-65.8-36.3-174-52.3-38.7000111.3S245 I249 R250 C251S245-D247 VanDerWaalsContact C-N 3.32Å; S245-D247 WeakPolarHBondContact OG-CB 3.47Å; S245-D247 PolarHBondContact OG-N 3.33Å; S245-D247 PolarHBondContact OG-OD2 3.29Å; D247-I249 PolarHBondContact O-N 2.96Å; D247-R250 PolarHBondContact O-N 3.44Å; D247-R250 IonicContact OD1-NH1 2.68Å; D247-C251 WeakPolarHBondContact O-CB 3.45Å; D247-C251 PolarHBondContact O-N 2.9Å; D247-C251 PolarHBondContact O-SG 3.22Å
248D83.6Confident86.1Confident69 Ų6958.8 Ų58.837%0.36937%0.373SS..Hα-helixtrans-55-36.1171.3-81.4-41.2000112.9T221 K223 L246T221-D248 HydrophobicContact CG2-CB 3.93Å; K223-D248 IonicContact NZ-OD1 2.65Å; K223-D248 PolarHBondContact NZ-OD1 3.18Å; K223-D248 IonicContact NZ-OD2 3.97Å; K223-D248 PolarHBondContact NZ-OD2 3.06Å; L246-D248 VanDerWaalsContact C-N 3.31Å; L246-D248 PolarHBondContact O-N 2.73Å
249I89.1Confident86.1Confident1 Ų158.9 Ų58.91%0.00537%0.374CS..Hα-helixtrans-82-44.2-179.2-56.3179.9000109.4W118 W217 A220 T221 L246 D247 C251 T252 L259 I263 M266W118-I249 HydrophobicContact CH2-CG2 4.4Å; W217-I249 HydrophobicContact CG-CD1 4.39Å; A220-I249 HydrophobicContact CB-CD1 3.78Å; A220-I249 HydrophobicContact CB-CG1 4.26Å; T221-I249 HydrophobicContact CG2-CD1 4.04Å; T221-I249 HydrophobicContact CG2-CG1 3.58Å; L246-I249 HydrophobicContact CD2-CD1 4.17Å; L246-I249 WeakPolarHBondContact O-CB 3.04Å; L246-I249 PolarHBondContact O-N 3.49Å; D247-I249 PolarHBondContact O-N 2.96Å; I249-C251 VanDerWaalsContact C-N 3.3Å; I249-C251 PolarHBondContact O-N 3.35Å; I249-T252 WeakPolarHBondContact O-CA 3.48Å; I249-T252 WeakPolarHBondContact O-CB 3.39Å; I249-T252 PolarHBondContact O-N 3.3Å; I249-T252 PolarHBondContact O-OG1 3.32Å; I249-L259 HydrophobicContact CG2-CD1 3.6Å; I249-L259 HydrophobicContact CG2-CD2 4.2Å; I249-L259 HydrophobicContact CG2-CG 4.12Å; I249-I263 HydrophobicContact CG2-CD1 4Å; I249-I263 HydrophobicContact CG2-CG1 4.12Å; I249-M266 HydrophobicContact CD1-CE 3.69Å; I249-M266 HydrophobicContact CD1-SD 3.92Å
250R85.1Confident86Confident116 Ų11660.6 Ų60.644%0.43838%0.383SS..Hα-helixtrans-62.5-34.2177.8-69.3166.8173.3170.9-7.2113.1L246 D247 T252 D253 I263L246-R250 WeakPolarHBondContact O-CG 3.44Å; L246-R250 PolarHBondContact O-N 2.96Å; D247-R250 PolarHBondContact O-N 3.44Å; D247-R250 IonicContact OD1-NH1 2.68Å; R250-T252 PolarHBondContact O-N 2.85Å; R250-T252 VanDerWaalsContact O-N 3.09Å; R250-D253 VanDerWaalsContact CA-OD2 3.27Å; R250-D253 WeakPolarHBondContact CA-OD2 3.13Å; R250-D253 WeakPolarHBondContact O-CB 3.36Å; R250-D253 PolarHBondContact O-N 3.36Å; R250-I263 HydrophobicContact CG-CD1 4.11Å
251C75.9Confident86.1Confident116 Ų11656.8 Ų56.878%0.78436%0.36SS*.THydrogen-bonded Turntrans-65.3-9.7172.7-71.50000113.5D247 I249D247-C251 WeakPolarHBondContact O-CB 3.45Å; D247-C251 PolarHBondContact O-N 2.9Å; D247-C251 PolarHBondContact O-SG 3.22Å; I249-C251 VanDerWaalsContact C-N 3.3Å; I249-C251 PolarHBondContact O-N 3.35Å
252T73.1Confident86.2Confident66 Ų6655.3 Ų55.341%0.40534%0.343SS..THydrogen-bonded Turntrans-98.53.7170.569.80000114I249 R250 A254I249-T252 WeakPolarHBondContact O-CA 3.48Å; I249-T252 WeakPolarHBondContact O-CB 3.39Å; I249-T252 PolarHBondContact O-N 3.3Å; I249-T252 PolarHBondContact O-OG1 3.32Å; R250-T252 PolarHBondContact O-N 2.85Å; R250-T252 VanDerWaalsContact O-N 3.09Å; T252-A254 VanDerWaalsContact C-N 3.25Å; T252-A254 PolarHBondContact O-N 2.99Å
253D53.9Low86.3Confident70 Ų7053.6 Ų53.637%0.37433%0.334SS..  trans-62.6-15.8-168.3-89.7-33.9000116.5R250 G255 L259R250-D253 VanDerWaalsContact CA-OD2 3.27Å; R250-D253 WeakPolarHBondContact CA-OD2 3.13Å; R250-D253 WeakPolarHBondContact O-CB 3.36Å; R250-D253 PolarHBondContact O-N 3.36Å; D253-G255 PolarHBondContact O-N 2.81Å; D253-L259 VanDerWaalsContact OD1-CD2 3.31Å; D253-L259 WeakPolarHBondContact OD1-CD2 3.36Å
254A59Low86.3Confident113 Ų11354.8 Ų54.893%0.93434%0.343SS*.SBendtrans-75.558.6-169.600000114.6T252T252-A254 VanDerWaalsContact C-N 3.25Å; T252-A254 PolarHBondContact O-N 2.99Å
255G73.4Confident86.5Confident74 Ų7454.3 Ų54.376%0.76334%0.34SS*.SBendtrans143.1-5.2167.500000116.6D253 A257D253-G255 PolarHBondContact O-N 2.81Å; G255-A257 PolarHBondContact O-N 2.69Å
256V88.4Confident86.7Confident29 Ų2951.7 Ų51.718%0.17632%0.322CS..  trans-86.3103.8-172.4-173.90000111.3W118 F122 G258 L259W118-V256 HydrophobicContact CB-CG1 4.25Å; W118-V256 HydrophobicContact CD2-CG1 3.78Å; W118-V256 HydrophobicContact CE3-CG1 4.31Å; W118-V256 HydrophobicContact CG-CG1 3.73Å; W118-V256 HydrophobicContact CG-CG2 4.23Å; F122-V256 HydrophobicContact CE2-CG1 4.13Å; F122-V256 HydrophobicContact CZ-CG1 4.49Å; V256-G258 PolarHBondContact O-N 3.03Å; V256-L259 HydrophobicContact CB-CB 4.16Å; V256-L259 HydrophobicContact CB-CD2 4.03Å; V256-L259 HydrophobicContact CG1-CB 4.22Å; V256-L259 HydrophobicContact CG1-CD2 4.44Å; V256-L259 HydrophobicContact CG2-CD2 4.46Å; V256-L259 WeakPolarHBondContact O-CB 3.28Å; V256-L259 PolarHBondContact O-N 3.42Å
257A92.1Very high87Confident51 Ų5154.8 Ų54.842%0.42134%0.336SS..THydrogen-bonded Turntrans-55.5129.8177.600000112.2G255 M293 H294G255-A257 PolarHBondContact O-N 2.69Å; A257-M293 HydrophobicContact CB-SD 4.31Å; A257-H294 PolarHBondContact O-NE2 3.24Å
258G93.2Very high87.4Confident22 Ų2253.1 Ų53.123%0.22733%0.325CS..THydrogen-bonded Turntrans82.81.2176.700000116.3V256 T260 R261 L262V256-G258 PolarHBondContact O-N 3.03Å; G258-T260 PolarHBondContact O-N 3.34Å; G258-R261 PolarHBondContact O-N 2.68Å; G258-R261 VanDerWaalsContact O-N 3.12Å; G258-L262 PolarHBondContact O-N 3.02Å
259L93.3Very high88.1Confident2 Ų249.9 Ų49.91%0.0131%0.308CS..Hα-helixtrans-62.3-39.2-175.9-171.551000113.5W118 I249 D253 V256 R261 L262 I263W118-L259 HydrophobicContact CH2-CD1 3.43Å; W118-L259 VanDerWaalsContact CH2-CD1 3.43Å; W118-L259 HydrophobicContact CH2-CD2 4.46Å; W118-L259 HydrophobicContact CZ2-CD1 3.95Å; W118-L259 HydrophobicContact CZ2-CD2 4.16Å; W118-L259 HydrophobicContact CZ3-CD1 3.91Å; I249-L259 HydrophobicContact CG2-CD1 3.6Å; I249-L259 HydrophobicContact CG2-CD2 4.2Å; I249-L259 HydrophobicContact CG2-CG 4.12Å; D253-L259 VanDerWaalsContact OD1-CD2 3.31Å; D253-L259 WeakPolarHBondContact OD1-CD2 3.36Å; V256-L259 HydrophobicContact CB-CB 4.16Å; V256-L259 HydrophobicContact CB-CD2 4.03Å; V256-L259 HydrophobicContact CG1-CB 4.22Å; V256-L259 HydrophobicContact CG1-CD2 4.44Å; V256-L259 HydrophobicContact CG2-CD2 4.46Å; V256-L259 WeakPolarHBondContact O-CB 3.28Å; V256-L259 PolarHBondContact O-N 3.42Å; L259-R261 VanDerWaalsContact C-N 3.33Å; L259-R261 PolarHBondContact O-N 3.19Å; L259-L262 HydrophobicContact CD1-CB 4.49Å; L259-L262 HydrophobicContact CD1-CD2 4.01Å; L259-L262 WeakPolarHBondContact O-CB 3.16Å; L259-L262 PolarHBondContact O-N 3.17Å; L259-I263 HydrophobicContact CG-CD1 4.44Å; L259-I263 WeakPolarHBondContact O-CG1 3.47Å; L259-I263 PolarHBondContact O-N 3.44Å
260T93.6Very high88.5Confident98 Ų9850.6 Ų50.660%0.60131%0.311SS*.Hα-helixtrans-56.8-45.9172.6-43.20000111.7G258 L262 I263 D264G258-T260 PolarHBondContact O-N 3.34Å; T260-L262 VanDerWaalsContact C-N 3.32Å; T260-L262 PolarHBondContact O-N 2.75Å; T260-I263 WeakPolarHBondContact O-CB 3.42Å; T260-I263 PolarHBondContact O-N 3.25Å; T260-I263 VanDerWaalsContact O-N 3.12Å; T260-D264 VanDerWaalsContact O-CG 3.29Å; T260-D264 PolarHBondContact O-N 2.92Å
261R96.4Very high89.2Confident80 Ų8050.6 Ų50.630%0.30231%0.311SS..Hα-helixtrans-69-30.4-179.7-176.264.5-165.5133.81.5112.4G258 L259 L265 E268 V286 L290G258-R261 PolarHBondContact O-N 2.68Å; G258-R261 VanDerWaalsContact O-N 3.12Å; L259-R261 VanDerWaalsContact C-N 3.33Å; L259-R261 PolarHBondContact O-N 3.19Å; R261-L265 WeakPolarHBondContact O-CB 3.37Å; R261-L265 PolarHBondContact O-N 2.95Å; R261-E268 IonicContact CZ-OE1 3.24Å; R261-E268 IonicContact NH1-OE1 3.65Å; R261-E268 PolarHBondContact NH1-OE1 3.07Å; R261-E268 IonicContact NH2-OE1 3.56Å; R261-E268 PolarHBondContact NH2-OE1 3.41Å; R261-E268 IonicContact NH2-OE2 3.33Å; R261-V286 HydrophobicContact CG-CG1 3.86Å; R261-L290 HydrophobicContact CB-CD2 4.25Å; R261-L290 HydrophobicContact CG-CD2 4.36Å
262L96.9Very high90.1Very high5 Ų548 Ų483%0.02629%0.294CS..Hα-helixtrans-62.6-47.7169.4-178.667.4000110.7W118 F122 L216 A220 G258 L259 T260 L265 M266 M287 L290W118-L262 HydrophobicContact CH2-CD2 4.34Å; W118-L262 HydrophobicContact CZ3-CD2 3.81Å; F122-L262 HydrophobicContact CE1-CB 4.29Å; F122-L262 HydrophobicContact CE1-CD1 4.34Å; F122-L262 HydrophobicContact CE1-CD2 3.92Å; F122-L262 HydrophobicContact CE1-CG 4.4Å; F122-L262 HydrophobicContact CZ-CD2 4.32Å; L216-L262 HydrophobicContact CD1-CD1 4.21Å; L216-L262 HydrophobicContact CD2-CD1 4.34Å; A220-L262 HydrophobicContact CB-CD2 4.44Å; G258-L262 PolarHBondContact O-N 3.02Å; L259-L262 HydrophobicContact CD1-CB 4.49Å; L259-L262 HydrophobicContact CD1-CD2 4.01Å; L259-L262 WeakPolarHBondContact O-CB 3.16Å; L259-L262 PolarHBondContact O-N 3.17Å; T260-L262 VanDerWaalsContact C-N 3.32Å; T260-L262 PolarHBondContact O-N 2.75Å; L262-L265 PolarHBondContact O-N 2.95Å; L262-M266 HydrophobicContact CD1-CE 4.23Å; L262-M266 HydrophobicContact CD2-CE 3.65Å; L262-M266 HydrophobicContact CG-CE 3.61Å; L262-M266 WeakPolarHBondContact O-CG 3.43Å; L262-M266 PolarHBondContact O-N 3.4Å; L262-M287 HydrophobicContact CD1-CE 3.82Å; L262-M287 HydrophobicContact CD1-SD 4.31Å; L262-L290 HydrophobicContact CB-CD1 3.71Å; L262-L290 HydrophobicContact CD1-CD1 4.16Å
263I96.5Very high91.2Very high10 Ų1048.3 Ų48.35%0.05129%0.293CS..Hα-helixtrans-60.3-45.8178.5-68.2168.6000110.8L246 I249 R250 L259 T260 L265 M266 Q267L246-I263 HydrophobicContact CD1-CG2 3.74Å; L246-I263 HydrophobicContact CD2-CG1 4.45Å; L246-I263 HydrophobicContact CD2-CG2 4.04Å; L246-I263 HydrophobicContact CG-CG2 4.41Å; I249-I263 HydrophobicContact CG2-CD1 4Å; I249-I263 HydrophobicContact CG2-CG1 4.12Å; R250-I263 HydrophobicContact CG-CD1 4.11Å; L259-I263 HydrophobicContact CG-CD1 4.44Å; L259-I263 WeakPolarHBondContact O-CG1 3.47Å; L259-I263 PolarHBondContact O-N 3.44Å; T260-I263 WeakPolarHBondContact O-CB 3.42Å; T260-I263 PolarHBondContact O-N 3.25Å; T260-I263 VanDerWaalsContact O-N 3.12Å; I263-L265 VanDerWaalsContact C-N 3.32Å; I263-L265 PolarHBondContact O-N 2.94Å; I263-M266 WeakPolarHBondContact O-CB 3.4Å; I263-M266 PolarHBondContact O-N 2.98Å; I263-Q267 WeakPolarHBondContact O-CG 3.37Å; I263-Q267 PolarHBondContact O-N 2.98Å
264D97.6Very high93.3Very high62 Ų6247 Ų4733%0.33229%0.288SS..Hα-helixtrans-56.5-47175.5-63.1-31.1000111T260 M266 Q267 E268T260-D264 VanDerWaalsContact O-CG 3.29Å; T260-D264 PolarHBondContact O-N 2.92Å; D264-M266 PolarHBondContact O-N 2.68Å; D264-Q267 PolarHBondContact O-N 2.89Å; D264-Q267 VanDerWaalsContact O-N 3.14Å; D264-E268 WeakPolarHBondContact O-CB 3.37Å; D264-E268 WeakPolarHBondContact O-CG 3.4Å; D264-E268 PolarHBondContact O-N 3.02Å
265L98.6Very high95.1Very high0 Ų050.9 Ų50.90%028%0.284CS..Hα-helixtrans-62.7-39.7177.6-177.666.7000112.1F212 L216 R261 L262 I263 Q267 E268 C269 P278 V286 M287F212-L265 HydrophobicContact CE1-CD2 4.43Å; L216-L265 HydrophobicContact CD1-CD2 4.11Å; L216-L265 HydrophobicContact CD1-CG 4.28Å; R261-L265 WeakPolarHBondContact O-CB 3.37Å; R261-L265 PolarHBondContact O-N 2.95Å; L262-L265 PolarHBondContact O-N 2.95Å; I263-L265 VanDerWaalsContact C-N 3.32Å; I263-L265 PolarHBondContact O-N 2.94Å; L265-Q267 VanDerWaalsContact C-N 3.3Å; L265-Q267 PolarHBondContact O-N 3.04Å; L265-E268 PolarHBondContact O-N 2.65Å; L265-C269 VanDerWaalsContact O-CB 3.27Å; L265-C269 WeakPolarHBondContact O-CB 3.23Å; L265-C269 PolarHBondContact O-N 2.83Å; L265-C269 PolarHBondContact O-SG 3.17Å; L265-P278 HydrophobicContact CD1-CG 4.33Å; L265-V286 HydrophobicContact CB-CG1 4.39Å; L265-V286 HydrophobicContact CD2-CB 4.1Å; L265-V286 HydrophobicContact CD2-CG1 3.9Å; L265-M287 HydrophobicContact CD2-CG 3.85Å; L265-M287 HydrophobicContact CD2-SD 4.12Å
266M98.3Very high96.3Very high0 Ų052.3 Ų52.30%027%0.271CS..Hα-helixtrans-58.5-45.1173.2-64.8-171.9-161.400110.8L216 W217 A220 L246 I249 L262 I263 D264 C269 W270L216-M266 HydrophobicContact CB-CE 3.99Å; L216-M266 HydrophobicContact CB-CG 3.77Å; L216-M266 HydrophobicContact CB-SD 4.24Å; L216-M266 HydrophobicContact CD1-CG 3.97Å; W217-M266 HydrophobicContact CB-SD 3.76Å; A220-M266 HydrophobicContact CB-CE 3.77Å; L246-M266 HydrophobicContact CD2-SD 4.23Å; I249-M266 HydrophobicContact CD1-CE 3.69Å; I249-M266 HydrophobicContact CD1-SD 3.92Å; L262-M266 HydrophobicContact CD1-CE 4.23Å; L262-M266 HydrophobicContact CD2-CE 3.65Å; L262-M266 HydrophobicContact CG-CE 3.61Å; L262-M266 WeakPolarHBondContact O-CG 3.43Å; L262-M266 PolarHBondContact O-N 3.4Å; I263-M266 WeakPolarHBondContact O-CB 3.4Å; I263-M266 PolarHBondContact O-N 2.98Å; D264-M266 PolarHBondContact O-N 2.68Å; M266-C269 PolarHBondContact O-N 2.74Å; M266-W270 HydrophobicContact CB-CE3 4.32Å; M266-W270 HydrophobicContact CB-CH2 4.1Å; M266-W270 HydrophobicContact CB-CZ2 4.43Å; M266-W270 HydrophobicContact CB-CZ3 4.05Å; M266-W270 VanDerWaalsContact O-CD2 3.28Å; M266-W270 VanDerWaalsContact O-CG 3.27Å; M266-W270 PolarHBondContact O-N 3.15Å; M266-W270 HydrophobicContact SD-CH2 4.46Å; M266-W270 HydrophobicContact SD-CZ3 4.45Å
267Q98.3Very high96.7Very high77 Ų7751.9 Ų51.936%0.3627%0.266SS..Hα-helixtrans-69.7-36.9-179-67.8-174.5-55.100113.4L246 I263 D264 L265 W270 R271L246-Q267 HydrophobicContact CD1-CG 3.88Å; I263-Q267 WeakPolarHBondContact O-CG 3.37Å; I263-Q267 PolarHBondContact O-N 2.98Å; D264-Q267 PolarHBondContact O-N 2.89Å; D264-Q267 VanDerWaalsContact O-N 3.14Å; L265-Q267 VanDerWaalsContact C-N 3.3Å; L265-Q267 PolarHBondContact O-N 3.04Å; Q267-W270 HydrophobicContact CG-CZ2 4.11Å; Q267-R271 VanDerWaalsContact O-CG 3.29Å; Q267-R271 WeakPolarHBondContact O-CG 3.04Å
268E98.6Very high97.1Very high55 Ų5550.1 Ų50.126%0.25725%0.251SS..Hα-helixtrans-61-46.1168.7-72.5170.6-151.600111.2R261 D264 L265 R271 P278R261-E268 IonicContact CZ-OE1 3.24Å; R261-E268 IonicContact NH1-OE1 3.65Å; R261-E268 PolarHBondContact NH1-OE1 3.07Å; R261-E268 IonicContact NH2-OE1 3.56Å; R261-E268 PolarHBondContact NH2-OE1 3.41Å; R261-E268 IonicContact NH2-OE2 3.33Å; D264-E268 WeakPolarHBondContact O-CB 3.37Å; D264-E268 WeakPolarHBondContact O-CG 3.4Å; D264-E268 PolarHBondContact O-N 3.02Å; L265-E268 PolarHBondContact O-N 2.65Å; E268-R271 WeakPolarHBondContact O-CG 3.38Å; E268-P278 HydrophobicContact CB-CG 4.22Å; E268-P278 WeakPolarHBondContact O-CD 3.06Å
269C98.8Very high97.3Very high0 Ų051.6 Ų51.60%026%0.257CS..Hα-helixtrans-63.3-45-178.9-740000113.3I209 Y210 G213 L265 M266 R271 R277I209-C269 HydrophobicContact CG2-CB 4.13Å; I209-C269 WeakPolarHBondContact O-CB 3.44Å; Y210-C269 WeakPolarHBondContact CA-O 3.43Å; G213-C269 VanDerWaalsContact CA-CB 3.5Å; L265-C269 VanDerWaalsContact O-CB 3.27Å; L265-C269 WeakPolarHBondContact O-CB 3.23Å; L265-C269 PolarHBondContact O-N 2.83Å; L265-C269 PolarHBondContact O-SG 3.17Å; M266-C269 PolarHBondContact O-N 2.74Å; C269-R271 PolarHBondContact O-N 2.91Å; C269-R277 WeakPolarHBondContact O-CD 3.4Å; C269-R277 VanDerWaalsContact O-CG 3.3Å; C269-R277 WeakPolarHBondContact O-CG 3.34Å
270W98Very high97.5Very high17 Ų1752 Ų526%0.06426%0.26CS..THydrogen-bonded Turntrans-92.918.2-173.36736.9000115.6Y210 I214 W217 R243 L246 M266 Q267 S272Y210-W270 HydrophobicContact CD2-CB 3.94Å; Y210-W270 HydrophobicContact CE2-CB 3.79Å; Y210-W270 WeakPolarHBondContact CE2-O 3.4Å; I214-W270 HydrophobicContact CD1-CB 4.43Å; I214-W270 HydrophobicContact CD1-CD2 4.44Å; I214-W270 HydrophobicContact CD1-CE3 3.72Å; I214-W270 HydrophobicContact CD1-CZ3 4.33Å; W217-W270 HydrophobicContact CB-CH2 4.44Å; W217-W270 HydrophobicContact CB-CZ3 3.86Å; W217-W270 HydrophobicContact CG-CZ3 4.29Å; R243-W270 HydrophobicContact CB-CZ2 4.39Å; R243-W270 HydrophobicContact CG-CD2 4.43Å; R243-W270 HydrophobicContact CG-CG 4.3Å; R243-W270 PolarHBondContact NE-O 3.2Å; R243-W270 PolarHBondContact NH2-O 3.33Å; L246-W270 HydrophobicContact CD1-CZ2 4.22Å; L246-W270 HydrophobicContact CD2-CH2 3.78Å; L246-W270 HydrophobicContact CD2-CZ2 4.09Å; L246-W270 HydrophobicContact CG-CH2 4.25Å; L246-W270 HydrophobicContact CG-CZ2 4.2Å; M266-W270 HydrophobicContact CB-CE3 4.32Å; M266-W270 HydrophobicContact CB-CH2 4.1Å; M266-W270 HydrophobicContact CB-CZ2 4.43Å; M266-W270 HydrophobicContact CB-CZ3 4.05Å; M266-W270 VanDerWaalsContact O-CD2 3.28Å; M266-W270 VanDerWaalsContact O-CG 3.27Å; M266-W270 PolarHBondContact O-N 3.15Å; M266-W270 HydrophobicContact SD-CH2 4.46Å; M266-W270 HydrophobicContact SD-CZ3 4.45Å; Q267-W270 HydrophobicContact CG-CZ2 4.11Å; W270-S272 PolarHBondContact O-N 3.5Å
271R98.4Very high97.8Very high116 Ų11656.1 Ų56.144%0.43826%0.264SS..  trans-56.4139.4176.3-71.3-171.7177-143.37.7111.6Q267 E268 C269 N273 Q276 R277Q267-R271 VanDerWaalsContact O-CG 3.29Å; Q267-R271 WeakPolarHBondContact O-CG 3.04Å; E268-R271 WeakPolarHBondContact O-CG 3.38Å; C269-R271 PolarHBondContact O-N 2.91Å; R271-N273 VanDerWaalsContact C-N 3.3Å; R271-N273 PolarHBondContact O-N 2.89Å; R271-Q276 HydrophobicContact CB-CB 4.37Å; R271-Q276 VanDerWaalsContact NH1-OE1 3.12Å; R271-R277 HydrophobicContact CB-CG 4.37Å; R271-R277 PolarHBondContact O-NE 3.07Å; R271-R277 PolarHBondContact O-NH2 3.44Å
272S96.1Very high97.9Very high62 Ų6257.6 Ų57.643%0.43428%0.275SS..SBendtrans-63.2-34.7-178.7-58.70000112.9R243 W270 P274 R277R243-S272 PolarHBondContact NH2-OG 2.97Å; W270-S272 PolarHBondContact O-N 3.5Å; S272-P274 WeakPolarHBondContact O-CD 3.23Å; S272-R277 PolarHBondContact O-NH2 2.88Å
273N96.4Very high98Very high72 Ų7257.4 Ų57.439%0.38527%0.274SS..SBendtrans-83.5115.8173.6-177.9-13.2000110.3R271 K275 Q276R271-N273 VanDerWaalsContact C-N 3.3Å; R271-N273 PolarHBondContact O-N 2.89Å; N273-K275 PolarHBondContact O-N 3.21Å; N273-K275 WeakPolarHBondContact OD1-CB 3.18Å; N273-K275 PolarHBondContact OD1-N 2.88Å; N273-Q276 HydrophobicContact CB-CG 4.07Å; N273-Q276 PolarHBondContact O-N 3.46Å
274P96.8Very high98.1Very high41 Ų4157.5 Ų57.527%0.26628%0.275SS..G310 helixtrans-61.2-26.4-178.923.1-33.3000113.9A206 S272 Q276 R277A206-P274 HydrophobicContact CB-CB 3.62Å; S272-P274 WeakPolarHBondContact O-CD 3.23Å; P274-Q276 PolarHBondContact O-N 3.05Å; P274-R277 PolarHBondContact O-N 3.32Å
275K97.1Very high98.1Very high195 Ų19557.6 Ų57.685%0.84828%0.278SS*.G310 helixtrans-72.1-12.3177.6-60.7-175.6-179.9-178.90113.8N273N273-K275 PolarHBondContact O-N 3.21Å; N273-K275 WeakPolarHBondContact OD1-CB 3.18Å; N273-K275 PolarHBondContact OD1-N 2.88Å
276Q98Very high98.1Very high105 Ų10558.2 Ų58.249%0.49128%0.282SS..G310 helixtrans-98.5-1.9177.7-62.6-175.4-1.600113.1R271 N273 P274R271-Q276 HydrophobicContact CB-CB 4.37Å; R271-Q276 VanDerWaalsContact NH1-OE1 3.12Å; N273-Q276 HydrophobicContact CB-CG 4.07Å; N273-Q276 PolarHBondContact O-N 3.46Å; P274-Q276 PolarHBondContact O-N 3.05Å
277R98.6Very high98.1Very high19 Ų1958.2 Ų58.27%0.07228%0.282CS..SBendtrans-80.2144.9178-59.4179.5-168.4143.514.4109.6E195 A206 I209 C269 R271 S272 P274E195-R277 IonicContact OE1-CZ 2.75Å; E195-R277 IonicContact OE1-NH1 3.74Å; E195-R277 PolarHBondContact OE1-NH1 2.9Å; E195-R277 IonicContact OE1-NH2 2.69Å; E195-R277 PolarHBondContact OE1-NH2 2.81Å; E195-R277 IonicContact OE2-CZ 2.66Å; E195-R277 IonicContact OE2-NH1 2.78Å; E195-R277 IonicContact OE2-NH2 3.69Å; E195-R277 PolarHBondContact OE2-NH2 3.02Å; A206-R277 WeakPolarHBondContact O-CD 3.49Å; A206-R277 PolarHBondContact O-NH1 3.3Å; I209-R277 HydrophobicContact CB-CB 4.45Å; I209-R277 HydrophobicContact CG2-CB 3.96Å; C269-R277 WeakPolarHBondContact O-CD 3.4Å; C269-R277 VanDerWaalsContact O-CG 3.3Å; C269-R277 WeakPolarHBondContact O-CG 3.34Å; R271-R277 HydrophobicContact CB-CG 4.37Å; R271-R277 PolarHBondContact O-NE 3.07Å; R271-R277 PolarHBondContact O-NH2 3.44Å; S272-R277 PolarHBondContact O-NH2 2.88Å; P274-R277 PolarHBondContact O-N 3.32Å
278P98.7Very high98.2Very high15 Ų1558 Ų5810%0.09728%0.281CS..PPolyproline II helixtrans-64.1160.5175.826.2-33.6000111.5I209 L265 E268 Q282I209-P278 WeakPolarHBondContact CG1-O 3.42Å; I209-P278 HydrophobicContact CG2-CG 4Å; I209-P278 WeakPolarHBondContact CG2-O 3.47Å; L265-P278 HydrophobicContact CD1-CG 4.33Å; E268-P278 HydrophobicContact CB-CG 4.22Å; E268-P278 WeakPolarHBondContact O-CD 3.06Å; P278-Q282 HydrophobicContact CB-CB 4Å
279S98.6Very high98.2Very high53 Ų5360.2 Ų60.237%0.37129%0.291SS..PPolyproline II helixtrans-73.9156.6166.663.90000111.2R281 Q282 C283S279-R281 PolarHBondContact O-N 3.47Å; S279-Q282 WeakPolarHBondContact O-CB 3.5Å; S279-Q282 PolarHBondContact O-N 2.68Å; S279-Q282 WeakPolarHBondContact OG-CG 3.36Å; S279-Q282 PolarHBondContact OG-N 2.86Å; S279-Q282 PolarHBondContact OG-OE1 3.42Å; S279-C283 PolarHBondContact O-N 3.02Å; S279-C283 PolarHBondContact O-SG 3.39Å
280S98.2Very high98.1Very high9 Ų960.3 Ų60.36%0.06329%0.292CS..Hα-helixtrans-56.3-35.3175.140.80000112.7H136 C283 T284H136-S280 WeakPolarHBondContact CB-OG 3.03Å; H136-S280 PolarHBondContact ND1-OG 2.88Å; S280-C283 PolarHBondContact O-N 3.16Å; S280-T284 WeakPolarHBondContact O-CB 3.01Å; S280-T284 PolarHBondContact O-N 3.11Å; S280-T284 PolarHBondContact O-OG1 2.76Å
281R98.6Very high98.1Very high185 Ų18561.1 Ų61.170%0.69830%0.296SS*.Hα-helixtrans-59.8-45171.3-174.2178.1176.9-177.3-0.3112.7N133 S279 T284 T285N133-R281 VanDerWaalsContact OD1-CA 3.27Å; N133-R281 WeakPolarHBondContact OD1-CA 3.35Å; N133-R281 WeakPolarHBondContact OD1-CB 3.2Å; N133-R281 PolarHBondContact OD1-N 3.08Å; S279-R281 PolarHBondContact O-N 3.47Å; R281-T284 WeakPolarHBondContact O-CB 3.37Å; R281-T284 PolarHBondContact O-N 3.06Å; R281-T285 PolarHBondContact O-N 2.79Å; R281-T285 PolarHBondContact O-OG1 3.48Å
282Q98.8Very high98.1Very high111 Ų11161.1 Ų61.152%0.51930%0.299SS..Hα-helixtrans-64.9-43177.3-74.4165.6-61.800111.4P278 S279 T284 T285 V286P278-Q282 HydrophobicContact CB-CB 4Å; S279-Q282 WeakPolarHBondContact O-CB 3.5Å; S279-Q282 PolarHBondContact O-N 2.68Å; S279-Q282 WeakPolarHBondContact OG-CG 3.36Å; S279-Q282 PolarHBondContact OG-N 2.86Å; S279-Q282 PolarHBondContact OG-OE1 3.42Å; Q282-T284 VanDerWaalsContact C-N 3.28Å; Q282-T284 PolarHBondContact O-N 2.99Å; Q282-T285 PolarHBondContact O-N 3.14Å; Q282-V286 WeakPolarHBondContact O-CG2 3.27Å; Q282-V286 PolarHBondContact O-N 3.08Å; Q282-V286 VanDerWaalsContact O-N 3.14Å
283C98.8Very high98.1Very high2 Ų262.7 Ų62.71%0.01430%0.3CS..Hα-helixtrans-57.7-43.3172.7-60.40000111.6F212 S279 S280 M287F212-C283 HydrophobicContact CD1-CB 4.3Å; F212-C283 HydrophobicContact CE1-CB 3.82Å; S279-C283 PolarHBondContact O-N 3.02Å; S279-C283 PolarHBondContact O-SG 3.39Å; S280-C283 PolarHBondContact O-N 3.16Å; C283-M287 WeakPolarHBondContact O-CB 3.39Å; C283-M287 WeakPolarHBondContact O-CG 3.35Å; C283-M287 PolarHBondContact O-N 2.96Å
284T98.6Very high98.1Very high12 Ų1260.5 Ų60.57%0.07429%0.288CS..Hα-helixtrans-61.8-47.8178.5-55.10000111.5A129 L130 N133 S280 R281 Q282 V286 M287 E288A129-T284 PolarHBondContact O-OG1 3.28Å; L130-T284 HydrophobicContact CD2-CG2 3.58Å; L130-T284 HydrophobicContact CG-CG2 4.05Å; N133-T284 WeakPolarHBondContact CB-OG1 3.19Å; S280-T284 WeakPolarHBondContact O-CB 3.01Å; S280-T284 PolarHBondContact O-N 3.11Å; S280-T284 PolarHBondContact O-OG1 2.76Å; R281-T284 WeakPolarHBondContact O-CB 3.37Å; R281-T284 PolarHBondContact O-N 3.06Å; Q282-T284 VanDerWaalsContact C-N 3.28Å; Q282-T284 PolarHBondContact O-N 2.99Å; T284-V286 PolarHBondContact O-N 3.39Å; T284-M287 PolarHBondContact O-N 3.38Å; T284-E288 WeakPolarHBondContact O-CB 3.4Å; T284-E288 PolarHBondContact O-N 3.35Å
285T98.6Very high98.1Very high64 Ų6464.5 Ų64.539%0.39330%0.301SS..Hα-helixtrans-58.5-48.9178.6-61.10000112.1R281 Q282 M287 E288 E289R281-T285 PolarHBondContact O-N 2.79Å; R281-T285 PolarHBondContact O-OG1 3.48Å; Q282-T285 PolarHBondContact O-N 3.14Å; T285-M287 VanDerWaalsContact C-N 3.3Å; T285-M287 PolarHBondContact O-N 3.35Å; T285-E288 PolarHBondContact O-N 2.76Å; T285-E289 WeakPolarHBondContact O-CG 3.49Å; T285-E289 PolarHBondContact O-N 3.28Å; T285-E289 VanDerWaalsContact O-N 3.17Å
286V98.7Very high98.1Very high13 Ų1360.7 Ų60.78%0.07930%0.296CS..Hα-helixtrans-61.4-42.1177.1178.10000110.6R261 L265 Q282 T284 E288 E289 L290R261-V286 HydrophobicContact CG-CG1 3.86Å; L265-V286 HydrophobicContact CB-CG1 4.39Å; L265-V286 HydrophobicContact CD2-CB 4.1Å; L265-V286 HydrophobicContact CD2-CG1 3.9Å; Q282-V286 WeakPolarHBondContact O-CG2 3.27Å; Q282-V286 PolarHBondContact O-N 3.08Å; Q282-V286 VanDerWaalsContact O-N 3.14Å; T284-V286 PolarHBondContact O-N 3.39Å; V286-E288 PolarHBondContact O-N 3.26Å; V286-E289 WeakPolarHBondContact O-CB 3.48Å; V286-E289 PolarHBondContact O-N 3.47Å; V286-L290 WeakPolarHBondContact O-CG 3.38Å; V286-L290 PolarHBondContact O-N 3.5Å
287M98.6Very high98Very high0 Ų057.7 Ų57.70%029%0.29CS..Hα-helixtrans-71.5-29.2-178.7-64.7-9352.800113.4F122 T125 H126 A129 F212 L216 L262 L265 C283 T284 T285 L290 F291F122-M287 HydrophobicContact CD1-CE 4.09Å; T125-M287 VanDerWaalsContact CB-SD 3.52Å; T125-M287 WeakPolarHBondContact OG1-CE 3.46Å; T125-M287 PolarHBondContact OG1-SD 3.34Å; T125-M287 VanDerWaalsContact OG1-SD 3.39Å; H126-M287 HydrophobicContact CB-CB 4.07Å; A129-M287 HydrophobicContact CB-CB 4.3Å; A129-M287 HydrophobicContact CB-CG 4.25Å; F212-M287 HydrophobicContact CZ-CG 4.06Å; F212-M287 HydrophobicContact CZ-SD 3.95Å; L216-M287 HydrophobicContact CD2-SD 3.71Å; L262-M287 HydrophobicContact CD1-CE 3.82Å; L262-M287 HydrophobicContact CD1-SD 4.31Å; L265-M287 HydrophobicContact CD2-CG 3.85Å; L265-M287 HydrophobicContact CD2-SD 4.12Å; C283-M287 WeakPolarHBondContact O-CB 3.39Å; C283-M287 WeakPolarHBondContact O-CG 3.35Å; C283-M287 PolarHBondContact O-N 2.96Å; T284-M287 PolarHBondContact O-N 3.38Å; T285-M287 VanDerWaalsContact C-N 3.3Å; T285-M287 PolarHBondContact O-N 3.35Å; M287-L290 HydrophobicContact CE-CB 3.96Å; M287-L290 HydrophobicContact CE-CD1 3.74Å; M287-L290 HydrophobicContact CE-CG 4.17Å; M287-F291 VanDerWaalsContact O-CB 3.26Å; M287-F291 WeakPolarHBondContact O-CB 3.36Å; M287-F291 PolarHBondContact O-N 2.98Å
288E98.6Very high98Very high73 Ų7357.4 Ų57.434%0.34129%0.289SS..Hα-helixtrans-65.6-42172.2-166.9-168.6164.200111.1T284 T285 V286 F291 K292T284-E288 WeakPolarHBondContact O-CB 3.4Å; T284-E288 PolarHBondContact O-N 3.35Å; T285-E288 PolarHBondContact O-N 2.76Å; V286-E288 PolarHBondContact O-N 3.26Å; E288-F291 PolarHBondContact O-N 3.08Å; E288-K292 HydrophobicContact CG-CD 4.41Å; E288-K292 WeakPolarHBondContact O-CB 3.04Å; E288-K292 VanDerWaalsContact O-CG 3.25Å; E288-K292 WeakPolarHBondContact O-CG 3.23Å; E288-K292 PolarHBondContact O-N 2.62Å; E288-K292 WeakPolarHBondContact OE1-CE 3.47Å; E288-K292 IonicContact OE1-NZ 2.64Å; E288-K292 PolarHBondContact OE1-NZ 3.13Å; E288-K292 IonicContact OE2-NZ 3.98Å
289E98.4Very high97.9Very high100 Ų10063.8 Ų63.847%0.46732%0.317SS..Hα-helixtrans-61.7-48.1174-68.5167.4-177.100111.5T285 V286 K292 M293T285-E289 WeakPolarHBondContact O-CG 3.49Å; T285-E289 PolarHBondContact O-N 3.28Å; T285-E289 VanDerWaalsContact O-N 3.17Å; V286-E289 WeakPolarHBondContact O-CB 3.48Å; V286-E289 PolarHBondContact O-N 3.47Å; E289-K292 PolarHBondContact O-N 3.34Å; E289-M293 PolarHBondContact O-N 2.78Å
290L97.9Very high97.9Very high3 Ų367.1 Ų67.12%0.01633%0.331CS..Hα-helixtrans-64-42177.9-59-163.5000111.8F122 R261 L262 V286 M287 K292 M293 H294F122-L290 HydrophobicContact CD1-CB 3.64Å; F122-L290 HydrophobicContact CD1-CD1 4.19Å; F122-L290 HydrophobicContact CE1-CB 3.82Å; F122-L290 HydrophobicContact CE1-CD1 3.65Å; F122-L290 HydrophobicContact CE1-CG 4.32Å; F122-L290 HydrophobicContact CG-CB 4.4Å; R261-L290 HydrophobicContact CB-CD2 4.25Å; R261-L290 HydrophobicContact CG-CD2 4.36Å; L262-L290 HydrophobicContact CB-CD1 3.71Å; L262-L290 HydrophobicContact CD1-CD1 4.16Å; V286-L290 WeakPolarHBondContact O-CG 3.38Å; V286-L290 PolarHBondContact O-N 3.5Å; M287-L290 HydrophobicContact CE-CB 3.96Å; M287-L290 HydrophobicContact CE-CD1 3.74Å; M287-L290 HydrophobicContact CE-CG 4.17Å; L290-K292 PolarHBondContact O-N 2.88Å; L290-M293 HydrophobicContact CD2-CE 3.32Å; L290-M293 HydrophobicContact CG-CE 4.49Å; L290-M293 PolarHBondContact O-N 3.5Å; L290-H294 PolarHBondContact O-CD2 2.99Å
291F98.1Very high97.8Very high34 Ų3467 Ų6715%0.14933%0.331CS..Hα-helixtrans-61.7-41.8174.9170.5-116.7000112.6R123 H126 M287 E288 M293 H294 K295R123-F291 HydrophobicContact CB-CD2 3.88Å; R123-F291 HydrophobicContact CB-CE2 3.72Å; R123-F291 HydrophobicContact CG-CD2 4.33Å; R123-F291 HydrophobicContact CG-CE2 3.83Å; R123-F291 HydrophobicContact CG-CZ 4.42Å; H126-F291 HydrophobicContact CB-CB 3.93Å; H126-F291 HydrophobicContact CB-CG 4.39Å; H126-F291 AromaticContact CE1-CD1 3.86Å; H126-F291 AromaticContact ND1-CD1 3.32Å; H126-F291 VanDerWaalsContact ND1-CD1 3.32Å; H126-F291 WeakPolarHBondContact ND1-CD1 3.22Å; H126-F291 AromaticContact ND1-CG 3.65Å; M287-F291 VanDerWaalsContact O-CB 3.26Å; M287-F291 WeakPolarHBondContact O-CB 3.36Å; M287-F291 PolarHBondContact O-N 2.98Å; E288-F291 PolarHBondContact O-N 3.08Å; F291-M293 VanDerWaalsContact C-N 3.29Å; F291-M293 PolarHBondContact O-N 3.32Å; F291-H294 PolarHBondContact O-N 2.98Å; F291-H294 VanDerWaalsContact O-N 3.16Å; F291-K295 HydrophobicContact CE1-CD 4.42Å; F291-K295 HydrophobicContact CZ-CB 4.48Å; F291-K295 HydrophobicContact CZ-CD 4.43Å; F291-K295 HydrophobicContact CZ-CG 4.14Å; F291-K295 PolarHBondContact O-N 3.45Å
292K98.1Very high97.8Very high115 Ų11558.8 Ų58.850%0.530%0.301SS..Hα-helixtrans-58.7-38.4178.7-79.5165.6-177.9163.90112.8E288 E289 L290 H294E288-K292 HydrophobicContact CG-CD 4.41Å; E288-K292 WeakPolarHBondContact O-CB 3.04Å; E288-K292 VanDerWaalsContact O-CG 3.25Å; E288-K292 WeakPolarHBondContact O-CG 3.23Å; E288-K292 PolarHBondContact O-N 2.62Å; E288-K292 WeakPolarHBondContact OE1-CE 3.47Å; E288-K292 IonicContact OE1-NZ 2.64Å; E288-K292 PolarHBondContact OE1-NZ 3.13Å; E288-K292 IonicContact OE2-NZ 3.98Å; E289-K292 PolarHBondContact O-N 3.34Å; L290-K292 PolarHBondContact O-N 2.88Å; K292-H294 VanDerWaalsContact C-N 3.29Å; K292-H294 PolarHBondContact O-N 3Å
293M97.1Very high97.7Very high95 Ų9559 Ų5947%0.46830%0.302SS..Hα-helixtrans-63.3-32.1178.2-71.9-172.3-76.700113.3A257 E289 L290 F291A257-M293 HydrophobicContact CB-SD 4.31Å; E289-M293 PolarHBondContact O-N 2.78Å; L290-M293 HydrophobicContact CD2-CE 3.32Å; L290-M293 HydrophobicContact CG-CE 4.49Å; L290-M293 PolarHBondContact O-N 3.5Å; F291-M293 VanDerWaalsContact C-N 3.29Å; F291-M293 PolarHBondContact O-N 3.32Å
294H96.3Very high97.6Very high27 Ų2763.6 Ų63.613%0.12532%0.323CS..Hα-helixtrans-104.4-4.5-177.2-65.6-94.7000114.1P119 F122 A257 L290 F291 K292 P296 A297P119-H294 HydrophobicContact CB-CB 4.09Å; P119-H294 HydrophobicContact CG-CB 4.26Å; F122-H294 HydrophobicContact CD2-CB 4.21Å; F122-H294 AromaticContact CD2-CD2 3.28Å; F122-H294 WeakPolarHBondContact CD2-CD2 3.35Å; F122-H294 AromaticContact CD2-CG 3.62Å; F122-H294 AromaticContact CD2-NE2 3.63Å; F122-H294 AromaticContact CE2-CD2 3.47Å; F122-H294 VanDerWaalsContact CE2-CD2 3.47Å; F122-H294 WeakPolarHBondContact CE2-CD2 3.48Å; F122-H294 AromaticContact CE2-CE1 3.79Å; F122-H294 AromaticContact CE2-NE2 3.28Å; F122-H294 VanDerWaalsContact CE2-NE2 3.28Å; F122-H294 WeakPolarHBondContact CE2-NE2 3.28Å; A257-H294 PolarHBondContact O-NE2 3.24Å; L290-H294 PolarHBondContact O-CD2 2.99Å; F291-H294 PolarHBondContact O-N 2.98Å; F291-H294 VanDerWaalsContact O-N 3.16Å; K292-H294 VanDerWaalsContact C-N 3.29Å; K292-H294 PolarHBondContact O-N 3Å; H294-P296 VanDerWaalsContact C-N 3.32Å; H294-A297 PolarHBondContact O-N 3.44Å; H294-A297 VanDerWaalsContact O-N 3.11Å
295K95.9Very high97.5Very high125 Ų12563.1 Ų63.154%0.54332%0.32SS..G310 helixtrans-50.1-38.6-179.3-172.9-179.5177-172.30114.6F291 A297 I298F291-K295 HydrophobicContact CE1-CD 4.42Å; F291-K295 HydrophobicContact CZ-CB 4.48Å; F291-K295 HydrophobicContact CZ-CD 4.43Å; F291-K295 HydrophobicContact CZ-CG 4.14Å; F291-K295 PolarHBondContact O-N 3.45Å; K295-A297 VanDerWaalsContact C-N 3.27Å; K295-A297 PolarHBondContact O-N 3.19Å; K295-I298 WeakPolarHBondContact O-CB 3.33Å; K295-I298 WeakPolarHBondContact O-CG2 3.39Å; K295-I298 PolarHBondContact O-N 3.1Å
296P97.2Very high97.5Very high115 Ų11561.3 Ų61.375%0.74731%0.308SS*.G310 helixtrans-59.9-33.2179.6-26.336.5000114.3H294H294-P296 VanDerWaalsContact C-N 3.32Å
297A96.6Very high97.3Very high42 Ų4266.1 Ų66.135%0.34733%0.33SS..G310 helixtrans-94.59.9-176.600000113.7P119 H294 K295 A301P119-A297 HydrophobicContact CB-CB 4.3Å; P119-A297 HydrophobicContact CG-CB 3.73Å; H294-A297 PolarHBondContact O-N 3.44Å; H294-A297 VanDerWaalsContact O-N 3.11Å; K295-A297 VanDerWaalsContact C-N 3.27Å; K295-A297 PolarHBondContact O-N 3.19Å; A297-A301 WeakPolarHBondContact O-CB 3.43Å; A297-A301 PolarHBondContact O-N 3.16Å
298I97.5Very high97.1Very high13 Ų1371.7 Ų71.77%0.06735%0.354CS..Hα-helixtrans-67.9-39.5-173.6-168.757.7000113.1P119 R123 K295 A301 V302P119-I298 HydrophobicContact CB-CD1 4.25Å; P119-I298 WeakPolarHBondContact O-CD1 3.47Å; R123-I298 HydrophobicContact CB-CD1 3.71Å; R123-I298 HydrophobicContact CG-CD1 4.33Å; K295-I298 WeakPolarHBondContact O-CB 3.33Å; K295-I298 WeakPolarHBondContact O-CG2 3.39Å; K295-I298 PolarHBondContact O-N 3.1Å; I298-A301 PolarHBondContact O-N 3.4Å; I298-V302 HydrophobicContact CD1-CG2 4.24Å; I298-V302 HydrophobicContact CG1-CG2 4.31Å; I298-V302 WeakPolarHBondContact O-CB 3.44Å; I298-V302 VanDerWaalsContact O-CG2 3.26Å; I298-V302 WeakPolarHBondContact O-CG2 3.4Å; I298-V302 PolarHBondContact O-N 3.28Å
299H97.1Very high96.9Very high148 Ų14868.8 Ų68.869%0.68534%0.34SS*.Hα-helixtrans-67.4-42.9-176.6-70.4-75000111.2V302 H303H299-V302 PolarHBondContact O-N 3.39Å; H299-H303 WeakPolarHBondContact O-CB 3.43Å; H299-H303 PolarHBondContact O-N 3.4Å
300D97.6Very high96.6Very high123 Ų12366.6 Ų66.666%0.65833%0.332SS*.Hα-helixtrans-64-43.5176.5-54.9-27.9000111.5H303 Q304D300-H303 PolarHBondContact O-N 3.32Å; D300-Q304 WeakPolarHBondContact O-CB 3.47Å; D300-Q304 PolarHBondContact O-N 2.7Å
301A97.4Very high96.3Very high7 Ų771 Ų716%0.05835%0.353CS..Hα-helixtrans-62.6-41.8176.700000112.6P117 P119 L120 A297 I298 V305P117-A301 HydrophobicContact CB-CB 4.03Å; P119-A301 HydrophobicContact CB-CB 3.89Å; P119-A301 HydrophobicContact CG-CB 4.16Å; L120-A301 HydrophobicContact CB-CB 4.36Å; A297-A301 WeakPolarHBondContact O-CB 3.43Å; A297-A301 PolarHBondContact O-N 3.16Å; I298-A301 PolarHBondContact O-N 3.4Å; A301-V305 WeakPolarHBondContact O-CG2 3.15Å; A301-V305 PolarHBondContact O-N 3.31Å
302V98Very high95.9Very high13 Ų1371.3 Ų71.38%0.07936%0.356CS..Hα-helixtrans-65.3-48.7174.9168.10000110.4L120 R123 L158 I298 H299 Q304 V305 L306L120-V302 HydrophobicContact CD1-CG2 4.14Å; R123-V302 VanDerWaalsContact NH2-CG2 3.3Å; L158-V302 HydrophobicContact CD1-CG1 4.39Å; I298-V302 HydrophobicContact CD1-CG2 4.24Å; I298-V302 HydrophobicContact CG1-CG2 4.31Å; I298-V302 WeakPolarHBondContact O-CB 3.44Å; I298-V302 VanDerWaalsContact O-CG2 3.26Å; I298-V302 WeakPolarHBondContact O-CG2 3.4Å; I298-V302 PolarHBondContact O-N 3.28Å; H299-V302 PolarHBondContact O-N 3.39Å; V302-Q304 PolarHBondContact O-N 2.97Å; V302-V305 PolarHBondContact O-N 3.13Å; V302-V305 VanDerWaalsContact O-N 3.14Å; V302-L306 HydrophobicContact CG1-CD1 3.71Å; V302-L306 HydrophobicContact CG1-CG 4.1Å; V302-L306 WeakPolarHBondContact O-CG 3.5Å; V302-L306 PolarHBondContact O-N 3Å
303H97.6Very high95.3Very high114 Ų11469.7 Ų69.753%0.52835%0.35SS..Hα-helixtrans-59.8-44.8-179.5-170.866.5000112.1H299 D300 V305 L306 Q307H299-H303 WeakPolarHBondContact O-CB 3.43Å; H299-H303 PolarHBondContact O-N 3.4Å; D300-H303 PolarHBondContact O-N 3.32Å; H303-V305 VanDerWaalsContact C-N 3.31Å; H303-V305 PolarHBondContact O-N 2.93Å; H303-L306 PolarHBondContact O-N 3.46Å; H303-Q307 PolarHBondContact CD2-NE2 3.26Å; H303-Q307 PolarHBondContact NE2-NE2 2.83Å; H303-Q307 WeakPolarHBondContact O-CG 3.42Å; H303-Q307 PolarHBondContact O-N 2.93Å
304Q96.2Very high94.9Very high100 Ų10071.2 Ų71.247%0.46735%0.354SS..Hα-helixtrans-59.4-39.7175.7-178.1-175.372.600112.5D300 V302 K308D300-Q304 WeakPolarHBondContact O-CB 3.47Å; D300-Q304 PolarHBondContact O-N 2.7Å; V302-Q304 PolarHBondContact O-N 2.97Å; Q304-K308 PolarHBondContact O-N 3.1Å
305V97.3Very high94.5Very high1 Ų174 Ų741%0.00637%0.367CS..Hα-helixtrans-73.9-44.5179.1172.10000111L108 L112 P117 L120 L158 A301 V302 H303 Q307 K308 L309L108-V305 HydrophobicContact CD1-CG1 3.62Å; L112-V305 HydrophobicContact CD2-CG1 4.36Å; L112-V305 HydrophobicContact CD2-CG2 4.46Å; P117-V305 VanDerWaalsContact CD-CG2 3.44Å; P117-V305 HydrophobicContact CG-CG2 3.88Å; L120-V305 HydrophobicContact CD2-CB 4.16Å; L120-V305 HydrophobicContact CD2-CG1 4.14Å; L120-V305 HydrophobicContact CD2-CG2 3.87Å; L158-V305 HydrophobicContact CD1-CB 3.86Å; L158-V305 HydrophobicContact CD1-CG1 3.48Å; L158-V305 VanDerWaalsContact CD1-CG1 3.48Å; A301-V305 WeakPolarHBondContact O-CG2 3.15Å; A301-V305 PolarHBondContact O-N 3.31Å; V302-V305 PolarHBondContact O-N 3.13Å; V302-V305 VanDerWaalsContact O-N 3.14Å; H303-V305 VanDerWaalsContact C-N 3.31Å; H303-V305 PolarHBondContact O-N 2.93Å; V305-Q307 VanDerWaalsContact C-N 3.35Å; V305-Q307 PolarHBondContact O-N 3.31Å; V305-K308 WeakPolarHBondContact O-CB 3.37Å; V305-K308 PolarHBondContact O-N 3.4Å; V305-L309 HydrophobicContact CG1-CD1 4.38Å; V305-L309 HydrophobicContact CG1-CG 4.34Å; V305-L309 WeakPolarHBondContact O-CG 3.4Å; V305-L309 PolarHBondContact O-N 2.99Å
306L97.3Very high94Very high27 Ų2773.5 Ų73.514%0.14137%0.365CS..Hα-helixtrans-58.2-44.6177.1-70.6179.8000111.8R102 S156 L158 V302 H303 K308 L309 D310R102-L306 HydrophobicContact CG-CD2 4.42Å; S156-L306 WeakPolarHBondContact O-CD2 3.29Å; L158-L306 HydrophobicContact CD1-CD2 3.79Å; L158-L306 HydrophobicContact CD1-CG 3.98Å; L158-L306 HydrophobicContact CD2-CD2 4.23Å; L158-L306 HydrophobicContact CG-CD2 3.77Å; L158-L306 HydrophobicContact CG-CG 4.39Å; V302-L306 HydrophobicContact CG1-CD1 3.71Å; V302-L306 HydrophobicContact CG1-CG 4.1Å; V302-L306 WeakPolarHBondContact O-CG 3.5Å; V302-L306 PolarHBondContact O-N 3Å; H303-L306 PolarHBondContact O-N 3.46Å; L306-K308 VanDerWaalsContact C-N 3.26Å; L306-K308 PolarHBondContact O-N 3.36Å; L306-L309 HydrophobicContact CD2-CD1 4.46Å; L306-L309 PolarHBondContact O-N 3.12Å; L306-L309 VanDerWaalsContact O-N 3.09Å; L306-D310 VanDerWaalsContact O-CG 3.28Å; L306-D310 PolarHBondContact O-N 2.95Å
307Q95.5Very high93.5Very high113 Ų11372.8 Ų72.853%0.52835%0.354SS..Hα-helixtrans-53.9-41.5173.5-75.5-176.62.100112.7H303 V305 Q311H303-Q307 PolarHBondContact CD2-NE2 3.26Å; H303-Q307 PolarHBondContact NE2-NE2 2.83Å; H303-Q307 WeakPolarHBondContact O-CG 3.42Å; H303-Q307 PolarHBondContact O-N 2.93Å; V305-Q307 VanDerWaalsContact C-N 3.35Å; V305-Q307 PolarHBondContact O-N 3.31Å; Q307-Q311 VanDerWaalsContact O-CB 3.25Å; Q307-Q311 WeakPolarHBondContact O-CB 3.33Å; Q307-Q311 PolarHBondContact O-N 3.13Å
308K93.9Very high92.9Very high118 Ų11874.8 Ų74.851%0.51336%0.362SS..Hα-helixtrans-69.7-38.1177.3-72.7-177.7175-1750112.8L112 Q304 V305 L306 N312L112-K308 HydrophobicContact CD2-CD 4.03Å; Q304-K308 PolarHBondContact O-N 3.1Å; V305-K308 WeakPolarHBondContact O-CB 3.37Å; V305-K308 PolarHBondContact O-N 3.4Å; L306-K308 VanDerWaalsContact C-N 3.26Å; L306-K308 PolarHBondContact O-N 3.36Å; K308-N312 WeakPolarHBondContact O-CB 3.37Å; K308-N312 PolarHBondContact O-N 3.09Å; K308-N312 VanDerWaalsContact O-N 3.09Å
309L93.6Very high92Very high11 Ų1180.2 Ų80.26%0.05839%0.387CS..Hα-helixtrans-65.2-51.5176.3-63.2-174.6000110.7R102 L108 T111 L158 V305 L306 Q311 N312 E313R102-L309 HydrophobicContact CB-CD1 4.29Å; R102-L309 HydrophobicContact CG-CD1 4.32Å; L108-L309 HydrophobicContact CD1-CD1 4.3Å; L108-L309 HydrophobicContact CD1-CD2 4.05Å; T111-L309 HydrophobicContact CG2-CD2 3.5Å; L158-L309 HydrophobicContact CD2-CD1 3.8Å; V305-L309 HydrophobicContact CG1-CD1 4.38Å; V305-L309 HydrophobicContact CG1-CG 4.34Å; V305-L309 WeakPolarHBondContact O-CG 3.4Å; V305-L309 PolarHBondContact O-N 2.99Å; L306-L309 HydrophobicContact CD2-CD1 4.46Å; L306-L309 PolarHBondContact O-N 3.12Å; L306-L309 VanDerWaalsContact O-N 3.09Å; L309-Q311 VanDerWaalsContact C-N 3.26Å; L309-Q311 PolarHBondContact O-N 3.42Å; L309-N312 PolarHBondContact O-N 2.95Å; L309-N312 VanDerWaalsContact O-N 3.14Å; L309-E313 WeakPolarHBondContact O-CG 3.12Å; L309-E313 PolarHBondContact O-N 3.36Å
310D92.7Very high91.1Very high55 Ų5574.8 Ų74.829%0.29437%0.371SS..Hα-helixtrans-61.6-34.5-179.7-63.7-22.7000112R102 L306 K314R102-D310 IonicContact CZ-OD1 2.74Å; R102-D310 IonicContact NH1-OD1 3.02Å; R102-D310 PolarHBondContact NH1-OD1 3.07Å; R102-D310 IonicContact NH2-OD1 3.77Å; R102-D310 PolarHBondContact NH2-OD1 3.3Å; R102-D310 IonicContact NH2-OD2 3.19Å; L306-D310 VanDerWaalsContact O-CG 3.28Å; L306-D310 PolarHBondContact O-N 2.95Å; D310-K314 WeakPolarHBondContact O-CD 3.33Å; D310-K314 VanDerWaalsContact O-CG 3.27Å; D310-K314 WeakPolarHBondContact O-CG 3.46Å; D310-K314 PolarHBondContact O-N 3.2Å; D310-K314 VanDerWaalsContact O-N 3.1Å
311Q91.4Very high90Very high95 Ų9575 Ų7544%0.44437%0.37SS..Hα-helixtrans-68.6-45.4174.6-177.459.227.500112Q307 L309 E313 K314 E315Q307-Q311 VanDerWaalsContact O-CB 3.25Å; Q307-Q311 WeakPolarHBondContact O-CB 3.33Å; Q307-Q311 PolarHBondContact O-N 3.13Å; L309-Q311 VanDerWaalsContact C-N 3.26Å; L309-Q311 PolarHBondContact O-N 3.42Å; Q311-E313 VanDerWaalsContact C-N 3.33Å; Q311-E313 PolarHBondContact O-N 3.32Å; Q311-K314 PolarHBondContact O-N 3.17Å; Q311-E315 WeakPolarHBondContact CG-OE1 3.31Å; Q311-E315 PolarHBondContact NE2-OE1 2.89Å; Q311-E315 WeakPolarHBondContact O-CG 3.49Å; Q311-E315 PolarHBondContact O-N 3.2Å
312N88.9Confident88.9Confident41 Ų4178.2 Ų78.222%0.21939%0.389CS..Hα-helixtrans-62.9-37.7175.8-177.633000112T111 K308 L309 E315 K316T111-N312 HydrophobicContact CG2-CB 3.99Å; T111-N312 WeakPolarHBondContact CG2-ND2 3.3Å; T111-N312 PolarHBondContact OG1-ND2 2.93Å; K308-N312 WeakPolarHBondContact O-CB 3.37Å; K308-N312 PolarHBondContact O-N 3.09Å; K308-N312 VanDerWaalsContact O-N 3.09Å; L309-N312 PolarHBondContact O-N 2.95Å; L309-N312 VanDerWaalsContact O-N 3.14Å; N312-E315 PolarHBondContact O-N 3.21Å; N312-K316 WeakPolarHBondContact ND2-CE 3.28Å; N312-K316 PolarHBondContact ND2-NZ 3.37Å; N312-K316 VanDerWaalsContact ND2-NZ 3.19Å; N312-K316 WeakPolarHBondContact O-CB 3.38Å; N312-K316 VanDerWaalsContact O-CG 3.27Å; N312-K316 WeakPolarHBondContact O-CG 3.42Å; N312-K316 PolarHBondContact O-N 3.18Å; N312-K316 WeakPolarHBondContact OD1-CE 3.34Å
313E86.6Confident87.5Confident81 Ų8185.5 Ų85.538%0.37942%0.419SS..Hα-helixtrans-62.8-47.5174-74.4173.1-158.600111.6R102 L309 Q311 E315 K316 I317R102-E313 IonicContact NH1-OE1 2.74Å; R102-E313 PolarHBondContact NH1-OE1 3.48Å; R102-E313 IonicContact NH1-OE2 2.75Å; L309-E313 WeakPolarHBondContact O-CG 3.12Å; L309-E313 PolarHBondContact O-N 3.36Å; Q311-E313 VanDerWaalsContact C-N 3.33Å; Q311-E313 PolarHBondContact O-N 3.32Å; E313-E315 VanDerWaalsContact C-N 3.35Å; E313-E315 PolarHBondContact O-N 3.46Å; E313-K316 PolarHBondContact O-N 3.41Å; E313-I317 VanDerWaalsContact O-CG1 3.29Å; E313-I317 WeakPolarHBondContact O-CG1 3.29Å; E313-I317 PolarHBondContact O-N 3.34Å
314K88.5Confident85.8Confident126 Ų12686 Ų8655%0.54843%0.425SS..Hα-helixtrans-58.3-45.3174.8-72.5166.4-173.1171.40112.1D310 Q311 I317 T318D310-K314 WeakPolarHBondContact O-CD 3.33Å; D310-K314 VanDerWaalsContact O-CG 3.27Å; D310-K314 WeakPolarHBondContact O-CG 3.46Å; D310-K314 PolarHBondContact O-N 3.2Å; D310-K314 VanDerWaalsContact O-N 3.1Å; Q311-K314 PolarHBondContact O-N 3.17Å; K314-I317 PolarHBondContact O-N 3.11Å; K314-T318 PolarHBondContact O-N 2.71Å; K314-T318 PolarHBondContact O-OG1 3.27Å; K314-T318 VanDerWaalsContact O-OG1 3.04Å
315E88.4Confident84Confident87 Ų8784.6 Ų84.641%0.40743%0.427SS..Hα-helixtrans-62.4-43.1178.2-74.9172.5-160.100112.2Q311 N312 E313 T318 Q319Q311-E315 WeakPolarHBondContact CG-OE1 3.31Å; Q311-E315 PolarHBondContact NE2-OE1 2.89Å; Q311-E315 WeakPolarHBondContact O-CG 3.49Å; Q311-E315 PolarHBondContact O-N 3.2Å; N312-E315 PolarHBondContact O-N 3.21Å; E313-E315 VanDerWaalsContact C-N 3.35Å; E313-E315 PolarHBondContact O-N 3.46Å; E315-T318 PolarHBondContact O-N 2.69Å; E315-Q319 WeakPolarHBondContact O-CB 3.17Å; E315-Q319 VanDerWaalsContact O-CG 3.25Å; E315-Q319 WeakPolarHBondContact O-CG 3.04Å; E315-Q319 PolarHBondContact O-N 3.29Å
316K85.4Confident81.9Confident114 Ų11490 Ų9050%0.49646%0.459SS..Hα-helixtrans-60.6-43.9173.6-74.1167.1-179.9171.30112.2N312 E313 Q319 G320N312-K316 WeakPolarHBondContact ND2-CE 3.28Å; N312-K316 PolarHBondContact ND2-NZ 3.37Å; N312-K316 VanDerWaalsContact ND2-NZ 3.19Å; N312-K316 WeakPolarHBondContact O-CB 3.38Å; N312-K316 VanDerWaalsContact O-CG 3.27Å; N312-K316 WeakPolarHBondContact O-CG 3.42Å; N312-K316 PolarHBondContact O-N 3.18Å; N312-K316 WeakPolarHBondContact OD1-CE 3.34Å; E313-K316 PolarHBondContact O-N 3.41Å; K316-Q319 PolarHBondContact O-N 3.47Å; K316-G320 PolarHBondContact O-N 3.06Å
317I85.9Confident79.6Confident99 Ų9993.7 Ų93.751%0.50848%0.483SS..Hα-helixtrans-62.9-47.2177.9-68.5163.3000110.2E313 K314 Q319 G320 M321E313-I317 VanDerWaalsContact O-CG1 3.29Å; E313-I317 WeakPolarHBondContact O-CG1 3.29Å; E313-I317 PolarHBondContact O-N 3.34Å; K314-I317 PolarHBondContact O-N 3.11Å; I317-Q319 PolarHBondContact O-N 2.79Å; I317-G320 PolarHBondContact O-N 3.09Å; I317-M321 HydrophobicContact CG2-CE 3.95Å; I317-M321 HydrophobicContact CG2-SD 4.24Å; I317-M321 WeakPolarHBondContact O-CG 3.48Å; I317-M321 PolarHBondContact O-N 2.73Å
318T84.8Confident77.3Confident85 Ų8596.7 Ų96.752%0.52150%0.497SS..Hα-helixtrans-62.9-42.1177.6-570000112K314 E315 G320 M321 T322K314-T318 PolarHBondContact O-N 2.71Å; K314-T318 PolarHBondContact O-OG1 3.27Å; K314-T318 VanDerWaalsContact O-OG1 3.04Å; E315-T318 PolarHBondContact O-N 2.69Å; T318-G320 VanDerWaalsContact C-N 3.33Å; T318-G320 PolarHBondContact O-N 3.3Å; T318-M321 PolarHBondContact O-N 3.29Å; T318-T322 WeakPolarHBondContact O-CG2 3.14Å; T318-T322 PolarHBondContact O-N 3.07Å; T318-T322 PolarHBondContact O-OG1 2.93Å; T318-T322 VanDerWaalsContact O-OG1 3.09Å
319Q78.4Confident75Confident126 Ų12697 Ų9759%0.58951%0.509SS*.Hα-helixtrans-64.3-35.7174.2-72.8175.423.500112.4E315 K316 I317 T322 K323E315-Q319 WeakPolarHBondContact O-CB 3.17Å; E315-Q319 VanDerWaalsContact O-CG 3.25Å; E315-Q319 WeakPolarHBondContact O-CG 3.04Å; E315-Q319 PolarHBondContact O-N 3.29Å; K316-Q319 PolarHBondContact O-N 3.47Å; I317-Q319 PolarHBondContact O-N 2.79Å; Q319-T322 WeakPolarHBondContact CA-OG1 3.3Å; Q319-T322 PolarHBondContact O-OG1 2.89Å; Q319-T322 VanDerWaalsContact O-OG1 3.14Å; Q319-K323 VanDerWaalsContact O-CB 3.24Å; Q319-K323 WeakPolarHBondContact O-CB 3.37Å; Q319-K323 PolarHBondContact O-N 2.73Å
320G77.9Confident72.4Confident34 Ų34102.2 Ų102.235%0.35155%0.546SS..Hα-helixtrans-63.4-48.2172.800000112.4K316 I317 T318 K323 L324K316-G320 PolarHBondContact O-N 3.06Å; I317-G320 PolarHBondContact O-N 3.09Å; T318-G320 VanDerWaalsContact C-N 3.33Å; T318-G320 PolarHBondContact O-N 3.3Å; G320-K323 PolarHBondContact O-N 3.24Å; G320-L324 WeakPolarHBondContact O-CG 3.34Å; G320-L324 PolarHBondContact O-N 3.11Å; G320-L324 VanDerWaalsContact O-N 3.08Å
321M75.1Confident69.7Low128 Ų128104.4 Ų104.463%0.63157%0.572SS**Hα-helixtrans-64.7-40.8178.8-70.6179.9172.200113I317 T318 L324 S325I317-M321 HydrophobicContact CG2-CE 3.95Å; I317-M321 HydrophobicContact CG2-SD 4.24Å; I317-M321 WeakPolarHBondContact O-CG 3.48Å; I317-M321 PolarHBondContact O-N 2.73Å; T318-M321 PolarHBondContact O-N 3.29Å; M321-L324 PolarHBondContact O-N 2.91Å; M321-S325 PolarHBondContact O-N 3.34Å; M321-S325 VanDerWaalsContact O-N 3.13Å; M321-S325 PolarHBondContact O-OG 3.34Å
322T72.8Confident66.8Low75 Ų75108.6 Ų108.646%0.4659%0.592SS.*Hα-helixtrans-67.8-37.3175.553.50000111.9T318 Q319 L324 S325 V326T318-T322 WeakPolarHBondContact O-CG2 3.14Å; T318-T322 PolarHBondContact O-N 3.07Å; T318-T322 PolarHBondContact O-OG1 2.93Å; T318-T322 VanDerWaalsContact O-OG1 3.09Å; Q319-T322 WeakPolarHBondContact CA-OG1 3.3Å; Q319-T322 PolarHBondContact O-OG1 2.89Å; Q319-T322 VanDerWaalsContact O-OG1 3.14Å; T322-L324 VanDerWaalsContact C-N 3.33Å; T322-L324 PolarHBondContact O-N 2.59Å; T322-S325 WeakPolarHBondContact CA-OG 3.33Å; T322-S325 PolarHBondContact O-N 2.8Å; T322-S325 PolarHBondContact O-OG 2.65Å; T322-S325 VanDerWaalsContact O-OG 3.13Å; T322-V326 WeakPolarHBondContact O-CG2 3.46Å; T322-V326 PolarHBondContact O-N 3.13Å; T322-V326 VanDerWaalsContact O-N 3.15Å
323K69.9Low64.3Low165 Ų165112.6 Ų112.672%0.71762%0.619SS**Hα-helixtrans-66.1-33.9176.6-167.8174.1-176.7-179.30113.1Q319 G320 T327Q319-K323 VanDerWaalsContact O-CB 3.24Å; Q319-K323 WeakPolarHBondContact O-CB 3.37Å; Q319-K323 PolarHBondContact O-N 2.73Å; G320-K323 PolarHBondContact O-N 3.24Å; K323-T327 PolarHBondContact O-OG1 3.42Å
324L62Low61.7Low126 Ų126115.2 Ų115.266%0.6664%0.641SS**Hα-helixtrans-72.9-35.5175.1-73.5164.8000113G320 M321 T322 T327G320-L324 WeakPolarHBondContact O-CG 3.34Å; G320-L324 PolarHBondContact O-N 3.11Å; G320-L324 VanDerWaalsContact O-N 3.08Å; M321-L324 PolarHBondContact O-N 2.91Å; T322-L324 VanDerWaalsContact C-N 3.33Å; T322-L324 PolarHBondContact O-N 2.59Å; L324-T327 PolarHBondContact O-N 3.3Å; L324-T327 PolarHBondContact O-OG1 3.14Å
325S56.8Low59.2Low70 Ų70121.1 Ų121.149%0.4966%0.66SS.*Hα-helixtrans-77-26.5-179.938.60000113.6M321 T322 T327M321-S325 PolarHBondContact O-N 3.34Å; M321-S325 VanDerWaalsContact O-N 3.13Å; M321-S325 PolarHBondContact O-OG 3.34Å; T322-S325 WeakPolarHBondContact CA-OG 3.33Å; T322-S325 PolarHBondContact O-N 2.8Å; T322-S325 PolarHBondContact O-OG 2.65Å; T322-S325 VanDerWaalsContact O-OG 3.13Å; S325-T327 VanDerWaalsContact C-N 3.27Å; S325-T327 PolarHBondContact O-N 3.37Å
326V54Low56.5Low113 Ų113121.7 Ų121.769%0.68568%0.679SS**G310 helixtrans-70.8-21.1173.2172.60000112.6T322 E328T322-V326 WeakPolarHBondContact O-CG2 3.46Å; T322-V326 PolarHBondContact O-N 3.13Å; T322-V326 VanDerWaalsContact O-N 3.15Å; V326-E328 VanDerWaalsContact C-N 3.34Å; V326-E328 PolarHBondContact O-N 3.16Å
327T48.4Very low54Low106 Ų106121.3 Ų121.365%0.6570%0.697SS**G310 helixtrans-78.4-6.2178.831.50000115.7K323 L324 S325K323-T327 PolarHBondContact O-OG1 3.42Å; L324-T327 PolarHBondContact O-N 3.3Å; L324-T327 PolarHBondContact O-OG1 3.14Å; S325-T327 VanDerWaalsContact C-N 3.27Å; S325-T327 PolarHBondContact O-N 3.37Å
328E48.8Very low51.5Low176 Ų176122.8 Ų122.882%0.82271%0.711SS**G310 helixtrans-985.5178.3-76-166145.200114.9V326V326-E328 VanDerWaalsContact C-N 3.34Å; V326-E328 PolarHBondContact O-N 3.16Å
329T44.2Very low48.9Very low125 Ų125123.5 Ų123.577%0.76773%0.725SS**  trans-129.967.5178.89.70000114
330S39.1Very low46.7Very low120 Ų120124.5 Ų124.584%0.83973%0.734SS**  trans-132.970.2160.573.20000112.2
331A35.3Very low44.6Very low100 Ų100130.6 Ų130.683%0.82676%0.757SS**  trans-114.2110.616000000108.1
332E32.2Very low42.8Very low184 Ų184129.9 Ų129.986%0.8676%0.763SS**  trans-71.5150176.3-79.3-161150.700112V334E332-V334 PolarHBondContact O-N 3.02Å
333P36.5Very low41Very low124 Ų124133.7 Ų133.781%0.80578%0.781SS**  trans-78.3106-175.731.2-34.5000112.1R335P333-R335 PolarHBondContact O-N 3.01Å
334V31.7Very low39.5Very low137 Ų137133.7 Ų133.783%0.8379%0.789SS**  trans-72.4115.6169.6179.80000110E332 A336E332-V334 PolarHBondContact O-N 3.02Å; V334-A336 PolarHBondContact O-N 3.09Å
335R36Very low38.4Very low250 Ų250134 Ų13494%0.94380%0.796SS**  trans-65.5119.4166.1-78.5177.5166.8174.6-4.2109.9P333P333-R335 PolarHBondContact O-N 3.01Å
336A30.8Very low37.5Very low98 Ų98142.2 Ų142.281%0.8182%0.816SS**  trans-122.3144.1164.100000110V334V334-A336 PolarHBondContact O-N 3.09Å
337A32.4Very low36.9Very low106 Ų106143.5 Ų143.588%0.87682%0.824SS**  trans-83.7162.1-168.800000113.9
338V33.9Very low36.7Very low131 Ų131141.4 Ų141.479%0.79482%0.823SS**  trans-72.5136-175.5-179.70000112.7
339A30.3Very low36.6Very low99 Ų99138.9 Ų138.982%0.81882%0.822SS**  trans-147.1135.2150.900000109.8
340N33.2Very low36.3Very low147 Ų147138.2 Ų138.279%0.78682%0.82SS**  trans-80.7139.2-170.4-64.7-40.5000113.4
341I32.4Very low36.2Very low163 Ų163138.9 Ų138.984%0.83682%0.822SS**  trans-134.4129.7143.2-60.9-176.5000107.3
342C38.3Very low36.3Very low112 Ų112140.4 Ų140.476%0.75782%0.821SS**  trans-81.9140.3175.2-62.90000110.5
343D35.1Very low36.4Very low156 Ų156140.4 Ų140.483%0.83482%0.821SS**  trans-142.3129.6150.4-105.8-38.7000111
344N38.9Very low36.3Very low164 Ų164143.5 Ų143.588%0.87782%0.824SS**  trans-87.8117.4179-80.4-61.7000109.7
345V38.5Very low36.1Very low133 Ų133144.6 Ų144.681%0.80682%0.824SS**  trans-120.6118161.8-176.30000109T347V345-T347 PolarHBondContact O-N 3.36Å
346R38.3Very low35.9Very low243 Ų243137.4 Ų137.492%0.91782%0.818SS**PPolyproline II helixtrans-65.6125.1176.3-76.6177.6168.4176.8-4.5110.1
347T39.9Very low35.7Very low140 Ų140137.7 Ų137.786%0.85981%0.814SS**PPolyproline II helixtrans-75.6129.7160.543.20000109.7V345V345-T347 PolarHBondContact O-N 3.36Å
348G43.8Very low35.5Very low61 Ų61138.3 Ų138.363%0.62981%0.806SS**PPolyproline II helixtrans-74164.5168.400000111.6
349P47.8Very low35.4Very low123 Ų123143.1 Ų143.180%0.79981%0.81SS**PPolyproline II helixtrans-63.8152.9174.328.7-34.5000111.3
350P37.5Very low36.2Very low111 Ų111144 Ų14472%0.72181%0.808SS**PPolyproline II helixtrans-63.9151.1179.928-35.3000111.5V352P350-V352 PolarHBondContact O-N 2.82Å
351P36.3Very low35.9Very low134 Ų134140.5 Ų140.587%0.8781%0.806SS**PPolyproline II helixtrans-64.8130.1-176.526.2-33.9000111.5
352V37.9Very low35.7Very low133 Ų133139.4 Ų139.481%0.80680%0.802SS**PPolyproline II helixtrans-81.4134.8173.1178.40000108.9P350 E354P350-V352 PolarHBondContact O-N 2.82Å; V352-E354 PolarHBondContact O-N 3.06Å
353Q33.8Very low35.4Very low184 Ų184142.8 Ų142.886%0.8681%0.807SS**  trans-82.5106.6177.9-160167.45.800108.8I355Q353-I355 PolarHBondContact O-N 3.22Å
354E35.1Very low35.1Very low189 Ų189138.6 Ų138.688%0.88380%0.8SS**  trans-68.5124.1-178.5-82.6-171139.900112.1V352V352-E354 PolarHBondContact O-N 3.06Å
355I27.9Very low34.8Very low160 Ų160137.8 Ų137.882%0.82180%0.796SS**  trans-101.5112.5166-57.8172000106.5Q353Q353-I355 PolarHBondContact O-N 3.22Å
356A31.2Very low34.4Very low99 Ų99138.9 Ų138.982%0.81880%0.797SS**  trans-88.3131.617700000111.3
357S27.3Very low34.2Very low103 Ų103131.2 Ų131.272%0.7279%0.786SS**  trans-122.3104.7179.256.80000112.9
358V27.7Very low33.7Very low119 Ų119130.3 Ų130.372%0.72178%0.781SS**  trans46.7133.3136-149.70000118.6
359W32Very low33.1Very low233 Ų233133 Ų13388%0.88379%0.785SS**  168170.487.7-85.282000107.8
360P46.6Very low32.3Very low117 Ų117134.9 Ų134.976%0.7678%0.783SS**  cis-128.5171.7-16.239.1-24.3000114.6
361G27.1Very low31.9Very low73 Ų73135.1 Ų135.175%0.75378%0.782SS**  trans16985.1162.700000120
362N29.9Very low31.3Very low140 Ų140136 Ų13675%0.74978%0.779SS**  trans57.3129.5152.9-91.91.7000124.2
363Q30.3Very low30.9Very low183 Ų183134.8 Ų134.886%0.85578%0.777SS**  trans62.1131.5142.4-62.2169.3-4.500118.8
364G29.3Very low30.6Very low68 Ų68131.3 Ų131.370%0.70177%0.773SS**  cis-179.3177.2-1.700000112
365D32.1Very low31.5Very low148 Ų148128.6 Ų128.679%0.79177%0.771SS**  trans72.1109166.8-58.3-20.5000121.5
366N31.1Very low31.4Very low155 Ų155124.6 Ų124.683%0.82977%0.77SS**  44.2133.1121.3-57-27.5000119.8
367A33.2Very low31.1Very low83 Ų83131.5 Ų131.569%0.68677%0.774SS**  cis-161139.113.800000113.2
368T30.1Very low31.2Very low121 Ų121130.5 Ų130.574%0.74277%0.772SS**  56.498.8120-39.70000118.6
369V31.3Very low31.2Very low118 Ų118130.5 Ų130.572%0.71577%0.773SS**  87142.194.4155.90000113.3
370E29.8Very low31Very low162 Ų162126.2 Ų126.276%0.75777%0.767SS**  cis-166.1137.2-9.8-104.8-178.7171.400107.5
371V29.1Very low30Very low116 Ų116129.1 Ų129.170%0.70377%0.771SS**  91.7127.291.8168.10000117.1
372D25.5Very low30Very low152 Ų152130.3 Ų130.381%0.81377%0.766SS**  trans55.9159.6157.9-88.9-35000121.2
373S28.6Very low29.9Very low108 Ų108129.7 Ų129.776%0.75576%0.763SS**  cis-153.5168.711.519.90000112.6
374S28.7Very low29.7Very low110 Ų110126.4 Ų126.477%0.76976%0.755SS**  trans-89.3-169.2172.4-64.30000112.1
375P52.1Low29.6Very low132 Ų132130.9 Ų130.986%0.85776%0.763SS**  -130.6172.3-58.436.2-21.4000113.9
376G26.1Very low29.4Very low76 Ų76131.9 Ų131.978%0.78476%0.763SS**  trans165.7168.8158.500000112.6
377R26.4Very low29.2Very low244 Ų244129 Ų12992%0.92176%0.761SS**  cis166.7146.1-26.2179.5177.8-176.1-174.93.1104.4
378A28.1Very low28.9Very low82 Ų82136 Ų13668%0.67877%0.77SS**  trans78.1151.5165.800000117.3
379T27.2Very low28.7Very low119 Ų119138.1 Ų138.173%0.7378%0.776SS**  cis-167.3-177.1-14.123.90000109.7
380N28.1Very low28.5Very low143 Ų143137.1 Ų137.177%0.76578%0.78SS**  trans94.6118.4165.1-53.30.1000113.4
381Q25.9Very low28.4Very low179 Ų179133.9 Ų133.984%0.83678%0.781SS**  cis61.9125.222.1-116.4179.4-25.600112
382C27.6Very low28.2Very low97 Ų97135 Ų13566%0.65578%0.782SS**  cis-153.7-17938.5-93.20000108.9
383D26.8Very low28.3Very low127 Ų127136.3 Ų136.368%0.67978%0.784SS**  cis-158152.9-2-116.66.2000109.2
384V27.7Very low28.1Very low114 Ų114138.3 Ų138.369%0.69178%0.781SS**  60.9115.894.5-176.60000116.5
385D26.2Very low28Very low163 Ų163141.3 Ų141.387%0.87279%0.785SS**  -157.4156.9121.6-130.2-25.8000114.2
386Q28.4Very low26.7Very low168 Ų168143.4 Ų143.479%0.78578%0.781SS**  trans-150.6122.4-161-174.6-171.36500114.5
387A26.3Very low26.6Very low96 Ų96144.9 Ų144.979%0.79378%0.779SS**  trans-165.1133156.600000109.7
388R27.1Very low26.5Very low228 Ų228138.5 Ų138.586%0.8677%0.771SS**  cis100.7148.732.5-90.4-164.7169.1-165.9-1114.6
389L26.6Very low26.4Very low167 Ų167139.3 Ų139.387%0.87477%0.772SS**  trans82.7112.9-177.2-49.5177000113.9
390A26.7Very low26.3Very low96 Ų96140.3 Ų140.379%0.79378%0.778SS**  cis93.3147.617.400000116.8
391A27.1Very low26.2Very low94 Ų94141.9 Ų141.978%0.77778%0.781SS**  trans80.4150.9-172.400000116.5
392D26.1Very low26.3Very low139 Ų139138.8 Ų138.874%0.74378%0.776SS**  cis166.5139.5-37.8-104.8-32.3000107.3
393H26.6Very low26.2Very low181 Ų181140.5 Ų140.584%0.83878%0.784SS**  trans59.5162.2171-64.8-66.6000116.9
394E25.2Very low26.1Very low149 Ų149142.4 Ų142.470%0.69679%0.793SS**  cis-149.216018.5-154.8-169.9-160.400111.5K396E394-K396 IonicContact OE1-NZ 3.78Å; E394-K396 PolarHBondContact OE1-NZ 3.28Å; E394-K396 IonicContact OE2-NZ 2.68Å; E394-K396 PolarHBondContact OE2-NZ 3.4Å
395M26.5Very low26Very low173 Ų173146 Ų14685%0.85280%0.8SS**  trans-77.5146.7167.4-68168.470.700111.4
396K24.6Very low26.1Very low177 Ų177144 Ų14477%0.7780%0.795SS**  trans-158.5162.1144.7-105.3137.4-161.2157.90112.7E394E394-K396 IonicContact OE1-NZ 3.78Å; E394-K396 PolarHBondContact OE1-NZ 3.28Å; E394-K396 IonicContact OE2-NZ 2.68Å; E394-K396 PolarHBondContact OE2-NZ 3.4Å
397S23.2Very low26Very low107 Ų107140.8 Ų140.875%0.74879%0.791SS**  trans-126.7-178-161.7560000112.5
398S24.9Very low26Very low109 Ų109143.4 Ų143.476%0.76279%0.792SS**  trans81.3156.1166.383.40000117.1
399S24.7Very low26.1Very low100 Ų100137.2 Ų137.270%0.69978%0.776SS**  cis-178.1174.7-26.3-89.10000108.2
400V25.1Very low26.2Very low139 Ų139137.6 Ų137.684%0.84277%0.771SS**  trans74.8143.9160.1-167.60000115.7
401E26.3Very low26.2Very low176 Ų176137.3 Ų137.382%0.82277%0.769SS**  cis-164.7175.4-42.3-116.4-161.7156.600107.6
402P29.3Very low26.3Very low115 Ų115142.9 Ų142.975%0.74778%0.775SS**  trans-95.9168.6-163.938.6-38.5000116.2
403T24.9Very low26.4Very low133 Ų133146.7 Ų146.782%0.81678%0.781SS**  trans-124.9106.7175.4-40000114
404L25.2Very low26.6Very low166 Ų166145.8 Ų145.887%0.86978%0.777SS**  trans34.6126.8139.1-75149.5000122.8
405F24.7Very low27.1Very low191 Ų191143.7 Ų143.784%0.83878%0.776SS**  trans-78.7164155.5-74.8-90.4000112.5
406P28.8Very low27Very low119 Ų119143.6 Ų143.677%0.77378%0.778SS**  -131143111.735.6-27.3000112.1
407S26.6Very low27.1Very low101 Ų101142.8 Ų142.871%0.70678%0.781SS**  cis95.593.938.5-66.20000114.3
408N25.6Very low27.1Very low152 Ų152145 Ų14581%0.81378%0.784SS**  trans165.8143.3143.3-94.5-2.6000110.4
409D30Very low27.1Very low98 Ų98147.7 Ų147.752%0.52479%0.789SS.*  cis-159.9155.60.8-145.2-20000112.7
410K27.5Very low27.1Very low174 Ų174148.2 Ų148.276%0.75779%0.791SS**  trans44.7123.7160.6-68.8138-166.6159.70120.1
411A28.3Very low27.2Very low91 Ų91149.2 Ų149.275%0.75279%0.787SS**  -169.9143.959.100000116.6
412K29Very low27.1Very low210 Ų210151.5 Ų151.591%0.91379%0.788SS**  trans62.596.3152.2-65.3-177.1179.9-179.20121.5
413Y26.5Very low27Very low219 Ų219154 Ų15486%0.85979%0.79SS**  trans-68.3172.9151.5-81-66.9000112.7
414Q31.3Very low27Very low163 Ų163156.4 Ų156.476%0.76279%0.789SS**  cis-165.7-179.39.3-125.5169.413.200108.1
415P36.2Very low27.1Very low104 Ų104153.8 Ų153.868%0.67579%0.785SS**  cis-127.8135.1-1533.1-15000114.6
416L25.3Very low27.4Very low172 Ų172150.1 Ų150.190%0.90178%0.783SS**  trans-84.6131.4148.7-88.7158.3000108
417L26Very low27.8Very low159 Ų159150.8 Ų150.883%0.83279%0.787SS**  trans-96.999.4166.3-92.1168.7000109.5
418L23.3Very low27.9Very low155 Ų155149.5 Ų149.581%0.81279%0.79SS**  trans-106.6129.2162.5-15098.3000107.2
419L25.4Very low28.2Very low165 Ų165148.4 Ų148.486%0.86479%0.789SS**  trans-134.8135.2169.3-107.2167.1000109.1
420C24.9Very low28.2Very low110 Ų110150.7 Ų150.774%0.74380%0.801SS**  trans-76.8157-161-75.70000115.9
421Q26.4Very low28.3Very low160 Ų160149.5 Ų149.575%0.74880%0.802SS**  trans-19.8144.7157.9-74.4168.2-4900117.6
422R24.1Very low28.7Very low224 Ų224151.3 Ų151.385%0.84580%0.798SS**  -129125.8126.8-86.9-174.5168.5-175.6-2110.1
423Q26.2Very low28.7Very low169 Ų169150.1 Ų150.179%0.7980%0.795SS**  trans-81.7134.4157.5-72175.2-4200108.1
424F26.4Very low29.3Very low182 Ų182143.9 Ų143.980%0.79878%0.783SS**  trans-141.3136.5154.9-90.1-75.4000108.1
425S27.7Very low29.4Very low111 Ų111140.9 Ų140.978%0.77678%0.78SS**  trans-100.6163.2-178.731.70000111.6
426S30.4Very low29.7Very low114 Ų114141.9 Ų141.980%0.79779%0.789SS**SBendtrans85.9146.8173.5-56.70000117.1G428S426-G428 PolarHBondContact O-N 3.36Å
427P37.2Very low30.4Very low134 Ų134139.1 Ų139.187%0.8778%0.779SS**  trans-88114.9-155.332.9-34.3000113.6
428G27.4Very low30.9Very low74 Ų74138.5 Ų138.576%0.76378%0.782SS**  trans-98.6123.7169.800000112.1S426 L430S426-G428 PolarHBondContact O-N 3.36Å; G428-L430 PolarHBondContact O-N 2.87Å
429T32.1Very low31.6Very low128 Ų128134.5 Ų134.579%0.78578%0.779SS**  trans-62119.3175.4-45.80000111.1N431T429-N431 PolarHBondContact O-N 3.05Å; T429-N431 VanDerWaalsContact O-N 3.11Å
430L30.3Very low32.1Very low147 Ų147134 Ų13477%0.7778%0.776SS**  trans-79.492.8177.6-172.375.3000110.8G428 I432G428-L430 PolarHBondContact O-N 2.87Å; L430-I432 HydrophobicContact CD2-CD1 4.11Å; L430-I432 HydrophobicContact CD2-CG1 4.1Å; L430-I432 HydrophobicContact CG-CG1 4.15Å; L430-I432 PolarHBondContact O-N 2.75Å
431N29.5Very low32.8Very low148 Ų148137.9 Ų137.979%0.79178%0.783SS**  trans-79.1102.4171.7-76.9-28000110.7T429T429-N431 PolarHBondContact O-N 3.05Å; T429-N431 VanDerWaalsContact O-N 3.11Å
432I37.1Very low33.4Very low130 Ų130139.1 Ų139.167%0.66779%0.787SS**  trans-86.7116.6169.1-56.3178000108.3L430 C434L430-I432 HydrophobicContact CD2-CD1 4.11Å; L430-I432 HydrophobicContact CD2-CG1 4.1Å; L430-I432 HydrophobicContact CG-CG1 4.15Å; L430-I432 PolarHBondContact O-N 2.75Å; I432-C434 PolarHBondContact O-N 3.42Å
433H28.8Very low34.1Very low184 Ų184131.7 Ų131.785%0.85278%0.78SS**  trans-92.895.3179.3-156.659.1000110.8S435H433-S435 PolarHBondContact O-N 2.89Å
434C39.3Very low34.9Very low89 Ų89133 Ų13360%0.60179%0.786SS**  trans-86.697.2175.1-65.20000110.6I432 V437I432-C434 PolarHBondContact O-N 3.42Å; C434-V437 HydrophobicContact CB-CG2 4.02Å
435S32.5Very low35.6Very low100 Ų100131.1 Ų131.170%0.69978%0.784SS**SBendtrans-67.6131.1166.555.30000110.3H433H433-S435 PolarHBondContact O-N 2.89Å
436S42.8Very low36.3Very low125 Ų125134.5 Ų134.587%0.87479%0.793SS**  trans75.656.8174.9-48.50000116.7
437V40.9Very low36.6Very low113 Ų113134.2 Ų134.269%0.68579%0.786SS**  trans-111.9117.1160.9-177.50000109.7C434C434-V437 HydrophobicContact CB-CG2 4.02Å
438T36.2Very low36.7Very low147 Ų147135.7 Ų135.790%0.90278%0.784SS**  trans-115.1114.6170.149.60000109.9
439G38.8Very low37Very low71 Ų71140.3 Ų140.373%0.73279%0.785SS**  trans129.1119.7178.400000111.8
440L35.4Very low37.3Very low155 Ų155140.3 Ų140.381%0.81278%0.779SS**  trans-125.2124.6175.1-161.582.5000108F442L440-F442 HydrophobicContact CD2-CD2 4.46Å; L440-F442 HydrophobicContact CD2-CE2 3.72Å; L440-F442 HydrophobicContact CD2-CZ 4.45Å; L440-F442 HydrophobicContact CG-CE2 4.26Å
441Q39.4Very low37.6Very low190 Ų190138.7 Ų138.789%0.88878%0.78SS**  trans-138.1128.5174.7-173.4172.73.400109.7
442F39.1Very low38Very low187 Ų187139.5 Ų139.582%0.8278%0.783SS**  trans-97.4134.6172.7-74.6-85.3000110.1L440L440-F442 HydrophobicContact CD2-CD2 4.46Å; L440-F442 HydrophobicContact CD2-CE2 3.72Å; L440-F442 HydrophobicContact CD2-CZ 4.45Å; L440-F442 HydrophobicContact CG-CE2 4.26Å
443G37.5Very low38Very low68 Ų68139 Ų13970%0.70179%0.791SS**  trans-171.8146.2178.100000111.6
444H44.2Very low38.5Very low197 Ų197133.5 Ų133.591%0.91279%0.785SS**SBendtrans-93.411.5-165.8-84.494.2000115.9
445N39.9Very low38.8Very low142 Ų142135.6 Ų135.676%0.75980%0.8SS**SBendtrans-122.4129.2-173.7-66.9-17.8000112.6T447N445-T447 VanDerWaalsContact C-N 3.27Å; N445-T447 PolarHBondContact O-N 3.4Å
446N42.5Very low39.2Very low182 Ų182136.2 Ų136.297%0.97381%0.805SS**  trans-75.963.2-178.4-79.4-24.5000113.7
447T36.9Very low39.3Very low107 Ų107138.5 Ų138.566%0.65680%0.801SS**  trans-131.8110.5172.3-46.80000110.6N445N445-T447 VanDerWaalsContact C-N 3.27Å; N445-T447 PolarHBondContact O-N 3.4Å
448M39.5Very low39.3Very low165 Ų165145 Ų14581%0.81381%0.814SS**  trans-95.6110175.2-173.5-170.8-70.200109.9I450M448-I450 HydrophobicContact CG-CG1 4.12Å; M448-I450 HydrophobicContact SD-CD1 4.02Å; M448-I450 HydrophobicContact SD-CG1 4.03Å
449H34.1Very low39.9Very low171 Ų171147 Ų14779%0.79281%0.81SS**  trans-88.4117.9167.6-90.6-90.8000110
450I38.9Very low40.5Very low129 Ų129154 Ų15466%0.66281%0.814SS**  trans-100.9102172.3-56.3176.3000108.3M448 L452M448-I450 HydrophobicContact CG-CG1 4.12Å; M448-I450 HydrophobicContact SD-CD1 4.02Å; M448-I450 HydrophobicContact SD-CG1 4.03Å; I450-L452 HydrophobicContact CG2-CG 4.37Å; I450-L452 PolarHBondContact O-N 3.4Å
451S35.4Very low41.1Very low112 Ų112153.4 Ų153.478%0.78381%0.807SS**  trans-82.5101.1168.724.80000109.8S453S451-S453 PolarHBondContact O-N 3.18Å
452L39.1Very low41.6Very low165 Ų165150.4 Ų150.486%0.86480%0.804SS**  trans-74.3101171.7-79.3164.1000110.2I450I450-L452 HydrophobicContact CG2-CG 4.37Å; I450-L452 PolarHBondContact O-N 3.4Å
453S36.4Very low42.4Very low119 Ų119147 Ų14783%0.83280%0.798SS**  trans-84.6130.2165.248.50000110.5S451S451-S453 PolarHBondContact O-N 3.18Å
454G38.6Very low42.8Very low70 Ų70146.6 Ų146.672%0.72279%0.789SS**SBendtrans101.2117.517100000115S456G454-S456 PolarHBondContact O-N 2.89Å
455S46Very low43.1Very low132 Ų132143 Ų14392%0.92378%0.783SS**  trans-67115.8165.251.60000110.3
456S42.1Very low43.6Very low113 Ų113141.7 Ų141.779%0.7979%0.785SS**  trans-128.1114.2167.2-159.80000109.2G454 R458G454-S456 PolarHBondContact O-N 2.89Å; S456-R458 PolarHBondContact O-N 3.36Å
457E43.3Very low44Very low173 Ų173139.6 Ų139.681%0.80878%0.779SS**  trans-64.4123-179.7-69.8-174.7124.600111K459E457-K459 PolarHBondContact O-N 3.24Å
458R42.5Very low44Very low249 Ų249141.1 Ų141.194%0.9479%0.788SS**  trans-71.490.7169.5-70.7-175.3177.5-174.8-0.5110S456 R460S456-R458 PolarHBondContact O-N 3.36Å; R458-R460 PolarHBondContact O-N 3.34Å
459K47.7Very low43.8Very low191 Ų191138.7 Ų138.783%0.8379%0.787SS**PPolyproline II helixtrans-58.8134.5167.3-73.5-175.7176.3178.50110.1E457E457-K459 PolarHBondContact O-N 3.24Å
460R50.9Low43.8Very low218 Ų218135.3 Ų135.382%0.82378%0.783SS**PPolyproline II helixtrans-70.3148.4176-70-173.2176.3-157.30.5110.8R458R458-R460 PolarHBondContact O-N 3.34Å
461H48.7Very low43.6Very low141 Ų141133.8 Ų133.865%0.65378%0.784SS**PPolyproline II helixtrans-70138174.2-160.3-94.1000110.7T463 A464H461-T463 PolarHBondContact CE1-OG1 2.94Å; H461-T463 PolarHBondContact ND1-OG1 3.48Å; H461-T463 PolarHBondContact O-N 3.03Å; H461-A464 PolarHBondContact O-N 3.32Å
462P51Low43.8Very low128 Ų128137.4 Ų137.483%0.83179%0.788SS**THydrogen-bonded Turntrans-61.2-17.3-172.1-27.135.7000116.7
463T55.3Low43.6Very low114 Ų114138.9 Ų138.970%0.69979%0.79SS**THydrogen-bonded Turntrans-100.89.9-177.229.30000114.7H461 P465H461-T463 PolarHBondContact CE1-OG1 2.94Å; H461-T463 PolarHBondContact ND1-OG1 3.48Å; H461-T463 PolarHBondContact O-N 3.03Å; T463-P465 WeakPolarHBondContact O-CD 3.4Å
464A46.1Very low43.5Very low61 Ų61144.5 Ų144.550%0.50479%0.793SS.*PPolyproline II helixtrans-73122.2176.200000111.5H461H461-A464 PolarHBondContact O-N 3.32Å
465P50.8Low43.4Very low120 Ų120147.8 Ų147.878%0.77980%0.799SS**PPolyproline II helixtrans-63.8146.4179.1-2233.8000113.2T463T463-P465 WeakPolarHBondContact O-CD 3.4Å
466S50.7Low42.8Very low115 Ų115147.2 Ų147.280%0.80480%0.795SS**PPolyproline II helixtrans-75.8141.3172.534.20000111.8
467T49.1Very low42.7Very low138 Ų138148.7 Ų148.785%0.84780%0.8SS**PPolyproline II helixtrans-66.3132.7-17544.20000113.2
468V36.8Very low42.5Very low139 Ų139145.1 Ų145.184%0.84280%0.8SS**PPolyproline II helixtrans-77.9133.7167.6177.20000110
469S37Very low42.2Very low115 Ų115140.9 Ų140.980%0.80480%0.796SS**PPolyproline II helixtrans-103.1133.5170.11730000109.7
470S34Very low42.5Very low99 Ų99141.2 Ų141.269%0.69282%0.817SS**  trans-15297.3164.3610000112.3
471S34.4Very low42.1Very low98 Ų98137.4 Ų137.469%0.68582%0.817SS**  trans40.5114.4136.757.50000120.8
472Q38.8Very low41.8Very low188 Ų188137.2 Ų137.288%0.87983%0.826SS**  trans5.4131.4131.1-61.8175-13.100117.9
473H35.3Very low41.2Very low196 Ų196137.7 Ų137.791%0.90783%0.826SS**  trans-131.8146147.5-114.4-83.8000111.6
474R33.5Very low40.4Very low236 Ų236139.1 Ų139.189%0.89183%0.833SS**  trans-81.9160.6-168.9-72.3175.8170.4176.8-4.4113.8
475T37.7Very low40.1Very low139 Ų139143.9 Ų143.985%0.85385%0.854SS**  trans-54.8140158.348.80000113.8
476S32.9Very low39.3Very low120 Ų120145.5 Ų145.584%0.83986%0.858SS**  trans-156.9127.7141.861.50000111.8
477T40.2Very low38.5Very low144 Ų144147.7 Ų147.788%0.88386%0.862SS**  trans-83.3139.7168.2460000111.6
478A39Very low37.7Very low98 Ų98148.5 Ų148.581%0.8186%0.864SS**  trans-169.7134.1145.100000111.6
479N35.5Very low37.8Very low161 Ų161149.3 Ų149.386%0.86187%0.865SS**  trans-90.9170.2149.3-83.8-7.3000107.9
480P55.1Low37.9Very low197 Ų197152.4 Ų152.4100%1.27987%0.871SS**  cis-106.50-7.639.2-30.4000114.1

Retrieved 480 of 480 residues in 925.7 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).