E7FBI4_DANRE Loading...

Ras-related protein Rap-1b

Probable GTP-binding protein that possesses GTPase activity. May play a role in endothelial cell polarity and endothelial barrier function.

AlphaFold DB , UniProt , Accession E7FBI4, Species DANRE (Danio rerio, Zebrafish), Gene rap1ab, Length 185 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
1M87.1Confident96.4Very high127 Ų12732.6 Ų32.663%0.62615%0.15SC*.  0140.30176.9164.159.400107.2Q43 Q50 C51 M52M1-Q43 HydrophobicContact CE-CG 3.93Å; M1-Q43 HydrophobicContact SD-CG 3.85Å; M1-Q43 PolarHBondContact SD-NE2 3.33Å; M1-Q50 WeakPolarHBondContact CG-O 3.49Å; M1-Q50 HydrophobicContact SD-CB 4.05Å; M1-C51 VanDerWaalsContact CG-CA 3.44Å; M1-C51 VanDerWaalsContact SD-CA 3.59Å; M1-M52 HydrophobicContact CE-CB 4Å; M1-M52 HydrophobicContact CE-CE 3.92Å
2R94.2Very high96.1Very high57 Ų5731.8 Ų31.822%0.21516%0.157CC..EExtended strand (participates in β ladder)trans-73.4140.1179.1-177.9168.8175.7174.712.6109.8Y4 C51 M52 N166 T169R2-Y4 HydrophobicContact CB-CE2 4.09Å; R2-Y4 WeakPolarHBondContact CD-OH 3.47Å; R2-Y4 HydrophobicContact CG-CD2 4.36Å; R2-Y4 HydrophobicContact CG-CE1 4.43Å; R2-Y4 HydrophobicContact CG-CE2 3.74Å; R2-C51 WeakPolarHBondContact O-CA 3.4Å; R2-C51 WeakPolarHBondContact O-CB 3.18Å; R2-M52 PolarHBondContact O-N 3.37Å; R2-N166 PolarHBondContact NH1-OD1 3.27Å; R2-T169 VanDerWaalsContact CZ-O 3.25Å; R2-T169 PolarHBondContact NH1-O 3.09Å; R2-T169 PolarHBondContact NH2-O 2.86Å
3E97.1Very high96Very high72 Ų7231.2 Ų31.234%0.33616%0.164SC..EExtended strand (participates in β ladder)trans-107.4141.7175.8-176.5158-142.600110.1R41 M52E3-R41 IonicContact OE1-CZ 3.62Å; E3-R41 IonicContact OE1-NE 2.75Å; E3-R41 PolarHBondContact OE1-NE 2.86Å; E3-R41 IonicContact OE1-NH2 3.62Å; E3-R41 PolarHBondContact OE1-NH2 3.42Å; E3-R41 IonicContact OE2-NH2 3.39Å; E3-M52 CarbonylContact C-O 3.56Å; E3-M52 VanDerWaalsContact CA-O 3.3Å; E3-M52 WeakPolarHBondContact CA-O 3.06Å; E3-M52 HydrophobicContact CB-CB 4.42Å; E3-M52 HydrophobicContact CG-CB 4.37Å; E3-M52 HydrophobicContact CG-CG 4.47Å
4Y98.5Very high96.1Very high3 Ų329 Ų291%0.01215%0.152CC..EExtended strand (participates in β ladder)trans-126.1127177.6-58.4-99000109.1R2 C51 M52 L53 E54 V162 I165 N166R2-Y4 HydrophobicContact CB-CE2 4.09Å; R2-Y4 WeakPolarHBondContact CD-OH 3.47Å; R2-Y4 HydrophobicContact CG-CD2 4.36Å; R2-Y4 HydrophobicContact CG-CE1 4.43Å; R2-Y4 HydrophobicContact CG-CE2 3.74Å; Y4-C51 HydrophobicContact CD2-CB 3.82Å; Y4-C51 HydrophobicContact CE2-CB 3.36Å; Y4-M52 PolarHBondContact N-O 3.02Å; Y4-L53 HydrophobicContact CD2-CD2 3.82Å; Y4-L53 HydrophobicContact CG-CD2 4.07Å; Y4-E54 PolarHBondContact O-N 2.91Å; Y4-V162 HydrophobicContact CD1-CG1 4.38Å; Y4-V162 HydrophobicContact CD1-CG2 4.46Å; Y4-V162 HydrophobicContact CD2-CG2 4.44Å; Y4-V162 HydrophobicContact CE1-CG1 3.92Å; Y4-V162 HydrophobicContact CE2-CG1 4.08Å; Y4-V162 HydrophobicContact CG-CG2 4.27Å; Y4-I165 HydrophobicContact CD1-CB 4.03Å; Y4-I165 HydrophobicContact CD1-CD1 3.88Å; Y4-I165 HydrophobicContact CD1-CG2 3.75Å; Y4-I165 HydrophobicContact CE1-CB 4.17Å; Y4-I165 HydrophobicContact CE1-CG2 3.86Å; Y4-N166 WeakPolarHBondContact CE1-OD1 3.47Å; Y4-N166 VanDerWaalsContact OH-CG 3.26Å; Y4-N166 PolarHBondContact OH-ND2 3Å; Y4-N166 PolarHBondContact OH-OD1 2.88Å
5K98.5Very high96.2Very high87 Ų8728.1 Ų28.138%0.37815%0.153SC..EExtended strand (participates in β ladder)trans-95.8107.9176.4-58.3-168176.4-1590109.6E54 Q76 G77K5-E54 CarbonylContact C-O 3.39Å; K5-E54 WeakPolarHBondContact CA-O 3.36Å; K5-E54 WeakPolarHBondContact CE-OE2 3.49Å; K5-E54 IonicContact NZ-OE2 3.67Å; K5-Q76 HydrophobicContact CB-CG 4.35Å; K5-Q76 WeakPolarHBondContact O-CA 3.34Å; K5-Q76 WeakPolarHBondContact O-CB 3.38Å; K5-Q76 PolarHBondContact O-N 3.45Å; K5-G77 PolarHBondContact O-N 2.98Å
6L98.8Very high96.3Very high2 Ų227 Ų271%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-107.3143.2179.5-53.3-177000109.2L53 E54 I55 L56 G77 F158 L161 I165L6-L53 HydrophobicContact CD1-CD1 4.02Å; L6-L53 HydrophobicContact CD1-CD2 4.41Å; L6-E54 PolarHBondContact N-O 2.74Å; L6-I55 HydrophobicContact CB-CG1 4.31Å; L6-I55 HydrophobicContact CD1-CG1 4.47Å; L6-I55 CarbonylContact O-C 3.57Å; L6-I55 WeakPolarHBondContact O-CA 3.48Å; L6-L56 PolarHBondContact O-N 2.99Å; L6-G77 CarbonylContact C-O 3.45Å; L6-G77 WeakPolarHBondContact CA-O 3.3Å; L6-F158 HydrophobicContact CD1-CB 4.22Å; L6-F158 HydrophobicContact CD1-CD1 3.87Å; L6-L161 HydrophobicContact CD1-CB 4.34Å; L6-L161 HydrophobicContact CD1-CD1 4.37Å; L6-L161 HydrophobicContact CD2-CB 3.84Å; L6-L161 HydrophobicContact CD2-CD1 4.19Å; L6-I165 HydrophobicContact CD2-CD1 3.66Å
7V98.2Very high96.3Very high4 Ų427.2 Ų27.22%0.02415%0.15CC..EExtended strand (participates in β ladder)trans-125.1130.3178.5-171.10000109L9 L56 T58 Y71 G77 F78 A79V7-L9 HydrophobicContact CG1-CD1 4.21Å; V7-L9 HydrophobicContact CG1-CD2 4.17Å; V7-L9 HydrophobicContact CG1-CG 3.94Å; V7-L56 HydrophobicContact CG1-CB 4.36Å; V7-L56 HydrophobicContact CG1-CD2 4.28Å; V7-L56 HydrophobicContact CG2-CB 4.33Å; V7-T58 HydrophobicContact CG1-CG2 3.85Å; V7-Y71 HydrophobicContact CG1-CD2 3.84Å; V7-Y71 HydrophobicContact CG1-CE2 4.35Å; V7-Y71 HydrophobicContact CG1-CG 4.39Å; V7-G77 PolarHBondContact N-O 3.44Å; V7-F78 HydrophobicContact CB-CD1 3.85Å; V7-F78 HydrophobicContact CB-CE1 3.98Å; V7-F78 HydrophobicContact CG2-CD1 4.31Å; V7-F78 HydrophobicContact CG2-CE1 3.95Å; V7-F78 WeakPolarHBondContact O-CA 3.12Å; V7-A79 PolarHBondContact O-N 2.92Å
8V98.3Very high96.4Very high2 Ų227.1 Ų27.11%0.01215%0.153CC..EExtended strand (participates in β ladder)trans-103.7121177.9-1700000108.8K16 I55 L56 T58 A79 V81 F158V8-K16 HydrophobicContact CG1-CB 3.7Å; V8-K16 HydrophobicContact CG1-CD 4.32Å; V8-K16 HydrophobicContact CG1-CG 3.97Å; V8-I55 HydrophobicContact CG2-CG2 3.79Å; V8-L56 PolarHBondContact N-O 2.94Å; V8-T58 PolarHBondContact O-OG1 3.46Å; V8-A79 HydrophobicContact CG1-CB 4.41Å; V8-A79 HydrophobicContact CG2-CB 4.47Å; V8-V81 HydrophobicContact CG1-CG2 3.64Å; V8-F158 HydrophobicContact CG2-CE1 4.04Å; V8-F158 HydrophobicContact CG2-CZ 4.43Å
9L96.7Very high96.5Very high0 Ų025.8 Ų25.80%015%0.146CC..EExtended strand (participates in β ladder)trans-128.9156.6-172.2-67.9164.5000111.4V7 K16 T58 Y71 M72 F78 A79 V81 I100V7-L9 HydrophobicContact CG1-CD1 4.21Å; V7-L9 HydrophobicContact CG1-CD2 4.17Å; V7-L9 HydrophobicContact CG1-CG 3.94Å; L9-K16 VanDerWaalsContact C-CD 3.48Å; L9-T58 HydrophobicContact CD2-CG2 3.99Å; L9-Y71 HydrophobicContact CD1-CE2 4.29Å; L9-Y71 HydrophobicContact CD2-CD2 4.34Å; L9-Y71 HydrophobicContact CD2-CE2 3.41Å; L9-Y71 VanDerWaalsContact CD2-CE2 3.41Å; L9-Y71 WeakPolarHBondContact CD2-OH 3.1Å; L9-Y71 HydrophobicContact CG-CE2 4.41Å; L9-M72 HydrophobicContact CD1-CE 4.15Å; L9-F78 HydrophobicContact CD1-CD1 3.94Å; L9-A79 PolarHBondContact N-O 2.84Å; L9-V81 PolarHBondContact O-N 3.17Å; L9-I100 HydrophobicContact CD1-CD1 3.76Å; L9-I100 HydrophobicContact CD1-CG1 4.3Å
10G97Very high96.6Very high0 Ų024.6 Ų24.60%014%0.139CC..  trans144.2167.8-179.100000112K16 T61 V81G10-K16 WeakPolarHBondContact O-CE 3.36Å; G10-K16 PolarHBondContact O-NZ 3.16Å; G10-T61 WeakPolarHBondContact O-CG2 3.48Å; G10-T61 PolarHBondContact O-N 2.94Å; G10-V81 WeakPolarHBondContact CA-O 3.37Å
11S95.5Very high96.7Very high5 Ų524.4 Ų24.44%0.03514%0.138CC..SBendtrans-59.4166-176.2-38.40000113V14 K16 T61 D92S11-V14 WeakPolarHBondContact O-CG1 2.94Å; S11-V14 VanDerWaalsContact O-CG2 3.3Å; S11-V14 WeakPolarHBondContact O-CG2 3.16Å; S11-K16 PolarHBondContact O-NZ 3.19Å; S11-K16 VanDerWaalsContact O-NZ 3.08Å; S11-T61 WeakPolarHBondContact CA-OG1 3.35Å; S11-T61 PolarHBondContact N-OG1 3.34Å; S11-D92 PolarHBondContact OG-OD2 2.97Å
12G93.4Very high97.2Very high23 Ų2318.8 Ų18.824%0.23711%0.111CC..THydrogen-bonded Turntrans-53.1143.1171.500000112.5V14 E62G12-V14 PolarHBondContact O-N 3.46Å; G12-V14 VanDerWaalsContact O-N 3.11Å; G12-E62 WeakPolarHBondContact CA-OE1 3.48Å; G12-E62 PolarHBondContact N-OE1 3.44Å; G12-E62 PolarHBondContact N-OE2 3.09Å
13G94.4Very high97.4Very high24 Ų2416.2 Ų16.225%0.24710%0.101CC..THydrogen-bonded Turntrans711.8172.700000117.3G15 Y32 K117G13-G15 PolarHBondContact O-N 3.04Å; G13-Y32 PolarHBondContact N-OH 2.97Å; G13-K117 VanDerWaalsContact O-CE 3.29Å; G13-K117 WeakPolarHBondContact O-CE 3.28Å; G13-K117 PolarHBondContact O-NZ 3.37Å
14V97.3Very high97.4Very high0 Ų014.1 Ų14.10%09%0.093CC..SBendtrans-69.7-16.4177.8-58.30000113.6S11 G12 K16 V81 T89 N116S11-V14 WeakPolarHBondContact O-CG1 2.94Å; S11-V14 VanDerWaalsContact O-CG2 3.3Å; S11-V14 WeakPolarHBondContact O-CG2 3.16Å; G12-V14 PolarHBondContact O-N 3.46Å; G12-V14 VanDerWaalsContact O-N 3.11Å; V14-K16 HydrophobicContact CG2-CD 4.24Å; V14-K16 HydrophobicContact CG2-CG 3.51Å; V14-V81 HydrophobicContact CB-CG1 4.28Å; V14-V81 HydrophobicContact CG2-CB 4Å; V14-V81 HydrophobicContact CG2-CG1 3.88Å; V14-V81 WeakPolarHBondContact CG2-O 3.42Å; V14-T89 HydrophobicContact CG1-CG2 3.7Å; V14-N116 PolarHBondContact O-ND2 3.33Å
15G97.9Very high97.3Very high15 Ų1519.2 Ų19.216%0.15512%0.117CC..SBendtrans98.127.8177.700000115.4G13 A18 L19G13-G15 PolarHBondContact O-N 3.04Å; G15-A18 PolarHBondContact O-N 3.38Å; G15-L19 WeakPolarHBondContact O-CG 3.46Å; G15-L19 PolarHBondContact O-N 2.85Å
16K97.6Very high97.3Very high11 Ų1116.6 Ų16.65%0.04812%0.115CC..Hα-helixtrans-52.6-56.4174-55.2-171.6-62-77.80111.8V8 L9 G10 S11 V14 A18 L19 T20 D57 T58 A59 V81V8-K16 HydrophobicContact CG1-CB 3.7Å; V8-K16 HydrophobicContact CG1-CD 4.32Å; V8-K16 HydrophobicContact CG1-CG 3.97Å; L9-K16 VanDerWaalsContact C-CD 3.48Å; G10-K16 WeakPolarHBondContact O-CE 3.36Å; G10-K16 PolarHBondContact O-NZ 3.16Å; S11-K16 PolarHBondContact O-NZ 3.19Å; S11-K16 VanDerWaalsContact O-NZ 3.08Å; V14-K16 HydrophobicContact CG2-CD 4.24Å; V14-K16 HydrophobicContact CG2-CG 3.51Å; K16-A18 VanDerWaalsContact C-N 3.32Å; K16-A18 PolarHBondContact O-N 3.36Å; K16-L19 WeakPolarHBondContact O-CB 3.2Å; K16-L19 PolarHBondContact O-N 3.02Å; K16-L19 VanDerWaalsContact O-N 3.17Å; K16-T20 PolarHBondContact O-N 2.77Å; K16-T20 PolarHBondContact O-OG1 2.72Å; K16-D57 WeakPolarHBondContact CB-OD1 3.26Å; K16-T58 WeakPolarHBondContact CE-O 3.5Å; K16-A59 WeakPolarHBondContact CE-O 3.27Å; K16-A59 PolarHBondContact NZ-O 3.32Å; K16-V81 HydrophobicContact CG-CB 4.34Å; K16-V81 HydrophobicContact CG-CG2 4.5Å
17S97Very high97.1Very high30 Ų3020.4 Ų20.421%0.2113%0.134CC..Hα-helixtrans-62.5-38178-45.90000112.8L19 T20 V21 T35 D57S17-L19 PolarHBondContact O-N 3.45Å; S17-T20 PolarHBondContact O-N 2.87Å; S17-V21 VanDerWaalsContact O-CB 3.31Å; S17-V21 WeakPolarHBondContact O-CB 3.4Å; S17-V21 VanDerWaalsContact O-CG2 3.3Å; S17-V21 WeakPolarHBondContact O-CG2 3.47Å; S17-V21 PolarHBondContact O-N 2.96Å; S17-T35 PolarHBondContact OG-OG1 2.78Å; S17-D57 WeakPolarHBondContact CA-OD2 3.4Å; S17-D57 WeakPolarHBondContact CB-OD2 3.44Å; S17-D57 PolarHBondContact N-OD1 3.39Å; S17-D57 PolarHBondContact OG-OD1 2.94Å; S17-D57 PolarHBondContact OG-OD2 3.31Å
18A98.1Very high97Very high26 Ų2623.7 Ų23.722%0.21515%0.148CC..Hα-helixtrans-63.5-41.9176.300000111.8G15 K16 Q22 F28 A148G15-A18 PolarHBondContact O-N 3.38Å; K16-A18 VanDerWaalsContact C-N 3.32Å; K16-A18 PolarHBondContact O-N 3.36Å; A18-Q22 WeakPolarHBondContact O-CB 3.28Å; A18-Q22 PolarHBondContact O-N 2.88Å; A18-F28 HydrophobicContact CB-CD2 4.21Å; A18-F28 HydrophobicContact CB-CE2 3.93Å; A18-A148 HydrophobicContact CB-CB 3.63Å
19L98.7Very high96.6Very high3 Ų327.8 Ų27.82%0.01617%0.173CC..Hα-helixtrans-64.5-46.4173.9-73.4170.4000111.3G15 K16 S17 Q22 F23 V81 V114 N116 A148 V154 I157G15-L19 WeakPolarHBondContact O-CG 3.46Å; G15-L19 PolarHBondContact O-N 2.85Å; K16-L19 WeakPolarHBondContact O-CB 3.2Å; K16-L19 PolarHBondContact O-N 3.02Å; K16-L19 VanDerWaalsContact O-N 3.17Å; S17-L19 PolarHBondContact O-N 3.45Å; L19-Q22 PolarHBondContact O-N 2.9Å; L19-F23 VanDerWaalsContact O-CB 3.29Å; L19-F23 WeakPolarHBondContact O-CB 3.34Å; L19-F23 PolarHBondContact O-N 2.65Å; L19-V81 HydrophobicContact CD1-CG1 3.89Å; L19-V81 HydrophobicContact CD1-CG2 4.18Å; L19-V114 HydrophobicContact CD1-CG1 4.14Å; L19-N116 HydrophobicContact CD1-CB 4.2Å; L19-A148 HydrophobicContact CD2-CB 3.96Å; L19-A148 HydrophobicContact CG-CB 4.2Å; L19-V154 HydrophobicContact CD2-CG2 4.01Å; L19-I157 HydrophobicContact CD1-CD1 4.3Å; L19-I157 HydrophobicContact CD2-CD1 4.15Å
20T98.3Very high96.2Very high0 Ų035.4 Ų35.40%021%0.209CC..Hα-helixtrans-63.4-48.7-179.5-58.30000111.7K16 S17 F23 V24 Y40 I55 D57K16-T20 PolarHBondContact O-N 2.77Å; K16-T20 PolarHBondContact O-OG1 2.72Å; S17-T20 PolarHBondContact O-N 2.87Å; T20-F23 PolarHBondContact O-N 2.71Å; T20-V24 HydrophobicContact CG2-CG2 4.24Å; T20-V24 WeakPolarHBondContact O-CB 3.39Å; T20-V24 WeakPolarHBondContact O-CG2 3.3Å; T20-V24 PolarHBondContact O-N 2.9Å; T20-Y40 HydrophobicContact CG2-CD2 3.36Å; T20-Y40 HydrophobicContact CG2-CE2 3.79Å; T20-Y40 HydrophobicContact CG2-CG 3.93Å; T20-I55 HydrophobicContact CG2-CB 4.3Å; T20-I55 HydrophobicContact CG2-CG2 3.71Å; T20-D57 HydrophobicContact CG2-CB 4.35Å
21V97.3Very high95.8Very high21 Ų2143.6 Ų43.613%0.12724%0.244CC..Hα-helixtrans-66-41.6178.31720000111S17 F23 V24 Q25 G26 I27 Y40S17-V21 VanDerWaalsContact O-CB 3.31Å; S17-V21 WeakPolarHBondContact O-CB 3.4Å; S17-V21 VanDerWaalsContact O-CG2 3.3Å; S17-V21 WeakPolarHBondContact O-CG2 3.47Å; S17-V21 PolarHBondContact O-N 2.96Å; V21-F23 VanDerWaalsContact C-N 3.3Å; V21-F23 PolarHBondContact O-N 3.05Å; V21-V24 PolarHBondContact O-N 3.26Å; V21-Q25 HydrophobicContact CG1-CB 4.37Å; V21-Q25 WeakPolarHBondContact O-CA 3.4Å; V21-Q25 WeakPolarHBondContact O-CB 3.39Å; V21-Q25 PolarHBondContact O-N 3.44Å; V21-G26 PolarHBondContact O-N 3.33Å; V21-I27 HydrophobicContact CG1-CD1 4.3Å; V21-I27 HydrophobicContact CG1-CG1 3.74Å; V21-Y40 HydrophobicContact CG2-CE1 4.4Å
22Q98.2Very high95Very high10 Ų1049.5 Ų49.55%0.04727%0.267CS..Hα-helixtrans-62.3-40.3175.6-175.169.7-7000111.2A18 L19 G26 I27 A148 K151 V154A18-Q22 WeakPolarHBondContact O-CB 3.28Å; A18-Q22 PolarHBondContact O-N 2.88Å; L19-Q22 PolarHBondContact O-N 2.9Å; Q22-G26 WeakPolarHBondContact O-CA 3.23Å; Q22-G26 PolarHBondContact O-N 2.86Å; Q22-G26 PolarHBondContact OE1-O 3.26Å; Q22-G26 VanDerWaalsContact OE1-O 3.08Å; Q22-I27 VanDerWaalsContact CA-O 3.29Å; Q22-I27 WeakPolarHBondContact CA-O 3.33Å; Q22-I27 PolarHBondContact N-O 3.43Å; Q22-I27 PolarHBondContact OE1-O 3.38Å; Q22-A148 WeakPolarHBondContact CG-O 3.4Å; Q22-A148 PolarHBondContact NE2-O 3.08Å; Q22-K151 HydrophobicContact CG-CG 4.14Å; Q22-V154 HydrophobicContact CB-CG1 4.14Å; Q22-V154 HydrophobicContact CG-CB 4.48Å; Q22-V154 HydrophobicContact CG-CG1 4.02Å; Q22-V154 HydrophobicContact CG-CG2 4.06Å
23F98.6Very high94.7Very high2 Ų254 Ų541%0.00929%0.285CS..Hα-helixtrans-65.1-48.6174.4176.6-101.4000111.8L19 T20 V21 K42 V44 L53 I55 V154 L155 F158 Y159L19-F23 VanDerWaalsContact O-CB 3.29Å; L19-F23 WeakPolarHBondContact O-CB 3.34Å; L19-F23 PolarHBondContact O-N 2.65Å; T20-F23 PolarHBondContact O-N 2.71Å; V21-F23 VanDerWaalsContact C-N 3.3Å; V21-F23 PolarHBondContact O-N 3.05Å; F23-K42 HydrophobicContact CD1-CD 4.27Å; F23-K42 HydrophobicContact CE1-CB 4.27Å; F23-K42 HydrophobicContact CE1-CD 3.96Å; F23-K42 HydrophobicContact CE1-CG 4.46Å; F23-K42 HydrophobicContact CZ-CD 4.44Å; F23-K42 PolarHBondContact O-NZ 2.7Å; F23-V44 HydrophobicContact CE1-CG1 4.47Å; F23-V44 HydrophobicContact CZ-CG1 3.86Å; F23-L53 HydrophobicContact CE1-CD1 3.93Å; F23-L53 HydrophobicContact CZ-CD1 3.71Å; F23-I55 HydrophobicContact CD1-CD1 3.46Å; F23-I55 VanDerWaalsContact CD1-CD1 3.46Å; F23-I55 HydrophobicContact CE1-CD1 3.57Å; F23-V154 HydrophobicContact CB-CG1 3.77Å; F23-L155 HydrophobicContact CD2-CD2 3.64Å; F23-L155 HydrophobicContact CE2-CD2 3.63Å; F23-F158 HydrophobicContact CB-CD2 3.77Å; F23-F158 HydrophobicContact CB-CE2 3.4Å; F23-F158 VanDerWaalsContact CB-CE2 3.4Å; F23-F158 HydrophobicContact CB-CZ 4.14Å; F23-F158 AromaticContact CD1-CD2 3.9Å; F23-F158 HydrophobicContact CD1-CD2 3.9Å; F23-F158 HydrophobicContact CD1-CE2 4.14Å; F23-F158 HydrophobicContact CD1-CG 4.13Å; F23-F158 HydrophobicContact CD2-CB 4.23Å; F23-F158 AromaticContact CD2-CD2 3.28Å; F23-F158 HydrophobicContact CD2-CD2 3.28Å; F23-F158 AromaticContact CD2-CE2 3.89Å; F23-F158 HydrophobicContact CD2-CE2 3.89Å; F23-F158 AromaticContact CD2-CG 3.98Å; F23-F158 HydrophobicContact CD2-CG 3.98Å; F23-F158 HydrophobicContact CE1-CB 4.31Å; F23-F158 HydrophobicContact CE1-CD2 4.34Å; F23-F158 HydrophobicContact CE1-CG 4.2Å; F23-F158 HydrophobicContact CE2-CB 3.81Å; F23-F158 AromaticContact CE2-CD2 3.79Å; F23-F158 HydrophobicContact CE2-CD2 3.79Å; F23-F158 HydrophobicContact CE2-CG 4.05Å; F23-F158 AromaticContact CG-CD2 3.35Å; F23-F158 HydrophobicContact CG-CD2 3.35Å; F23-F158 AromaticContact CG-CE2 3.55Å; F23-F158 HydrophobicContact CG-CE2 3.55Å; F23-F158 HydrophobicContact CG-CG 4.03Å; F23-F158 HydrophobicContact CG-CZ 4.33Å; F23-F158 HydrophobicContact CZ-CB 3.85Å; F23-F158 HydrophobicContact CZ-CD2 4.28Å; F23-F158 HydrophobicContact CZ-CG 4.16Å; F23-Y159 HydrophobicContact CE2-CD1 4.36Å; F23-Y159 AromaticContact CE2-CE1 3.96Å; F23-Y159 HydrophobicContact CE2-CE1 3.96Å; F23-Y159 HydrophobicContact CZ-CE1 4.1Å
24V97.8Very high94.4Very high28 Ų2856 Ų5617%0.1729%0.294CS..Hα-helixtrans-74-50.6-171.8175.50000111T20 V21 Y40 K42 I55T20-V24 HydrophobicContact CG2-CG2 4.24Å; T20-V24 WeakPolarHBondContact O-CB 3.39Å; T20-V24 WeakPolarHBondContact O-CG2 3.3Å; T20-V24 PolarHBondContact O-N 2.9Å; V21-V24 PolarHBondContact O-N 3.26Å; V24-Y40 HydrophobicContact CG1-CD1 4.29Å; V24-Y40 HydrophobicContact CG2-CD1 4.46Å; V24-Y40 HydrophobicContact CG2-CG 4.22Å; V24-K42 PolarHBondContact O-NZ 3.48Å; V24-I55 HydrophobicContact CG2-CD1 4.26Å
25Q96.3Very high93.8Very high110 Ų11057 Ų5751%0.51430%0.3SS..Hα-helixtrans-107.7-14.5-167.6-57.5-1797.200113.7V21 I27V21-Q25 HydrophobicContact CG1-CB 4.37Å; V21-Q25 WeakPolarHBondContact O-CA 3.4Å; V21-Q25 WeakPolarHBondContact O-CB 3.39Å; V21-Q25 PolarHBondContact O-N 3.44Å; Q25-I27 HydrophobicContact CB-CD1 4.45Å; Q25-I27 HydrophobicContact CB-CG1 4.01Å; Q25-I27 PolarHBondContact O-N 3.36Å
26G96.8Very high93.2Very high32 Ų3261.9 Ų61.933%0.3332%0.321SS..SBendtrans7316.1-179.800000114.7V21 Q22 K151V21-G26 PolarHBondContact O-N 3.33Å; Q22-G26 WeakPolarHBondContact O-CA 3.23Å; Q22-G26 PolarHBondContact O-N 2.86Å; Q22-G26 PolarHBondContact OE1-O 3.26Å; Q22-G26 VanDerWaalsContact OE1-O 3.08Å; G26-K151 PolarHBondContact O-NZ 2.94Å
27I95.9Very high92.8Very high83 Ų8365.5 Ų65.543%0.42634%0.338SS..  trans-116153.1176.369.1175.7000111.6V21 Q22 Q25 V29V21-I27 HydrophobicContact CG1-CD1 4.3Å; V21-I27 HydrophobicContact CG1-CG1 3.74Å; Q22-I27 VanDerWaalsContact CA-O 3.29Å; Q22-I27 WeakPolarHBondContact CA-O 3.33Å; Q22-I27 PolarHBondContact N-O 3.43Å; Q22-I27 PolarHBondContact OE1-O 3.38Å; Q25-I27 HydrophobicContact CB-CD1 4.45Å; Q25-I27 HydrophobicContact CB-CG1 4.01Å; Q25-I27 PolarHBondContact O-N 3.36Å; I27-V29 HydrophobicContact CD1-CG2 4.24Å
28F95.3Very high92.7Very high72 Ų7267.7 Ų67.732%0.31635%0.348SS..  trans-117.7126.2169.8176.7-103.1000108.8A18 E30 A148 K149A18-F28 HydrophobicContact CB-CD2 4.21Å; A18-F28 HydrophobicContact CB-CE2 3.93Å; F28-E30 HydrophobicContact CD1-CG 4.18Å; F28-E30 HydrophobicContact CE1-CG 3.81Å; F28-A148 HydrophobicContact CD2-CB 4.04Å; F28-A148 HydrophobicContact CE2-CB 4.11Å; F28-K149 HydrophobicContact CD1-CB 4.26Å; F28-K149 HydrophobicContact CD1-CG 4.03Å; F28-K149 HydrophobicContact CD2-CB 4.29Å; F28-K149 HydrophobicContact CE1-CB 3.97Å; F28-K149 HydrophobicContact CE1-CD 4.12Å; F28-K149 HydrophobicContact CE1-CG 3.78Å; F28-K149 HydrophobicContact CE2-CB 4.02Å; F28-K149 HydrophobicContact CG-CB 4.41Å; F28-K149 HydrophobicContact CZ-CB 3.85Å; F28-K149 HydrophobicContact CZ-CD 4.43Å; F28-K149 HydrophobicContact CZ-CG 4.16Å
29V91.3Very high92.5Very high88 Ų8869.7 Ų69.753%0.53336%0.36SS..  trans-105118.2178.1-178.70000108I27 K31I27-V29 HydrophobicContact CD1-CG2 4.24Å; V29-K31 VanDerWaalsContact C-N 3.32Å; V29-K31 HydrophobicContact CG1-CB 4.31Å; V29-K31 PolarHBondContact O-N 2.98Å
30E88.1Confident92.5Very high160 Ų16071.8 Ų71.875%0.74837%0.368SS*.  trans-69.4-30.4-177.3-70.5-173.5166.200113.1F28 Y32F28-E30 HydrophobicContact CD1-CG 4.18Å; F28-E30 HydrophobicContact CE1-CG 3.81Å; E30-Y32 PolarHBondContact O-N 3.43Å
31K87.6Confident92.5Very high172 Ų17278.7 Ų78.775%0.74839%0.394SS*.SBendtrans-69.9122.2179.3-172.9-176.7176.9-168.50109.8V29V29-K31 VanDerWaalsContact C-N 3.32Å; V29-K31 HydrophobicContact CG1-CB 4.31Å; V29-K31 PolarHBondContact O-N 2.98Å
32Y80Confident92.6Very high130 Ų13080.6 Ų80.651%0.5140%0.401SS..  trans-85129.5171.7-179.6-113.1000110.8G13 E30 P34G13-Y32 PolarHBondContact N-OH 2.97Å; E30-Y32 PolarHBondContact O-N 3.43Å; Y32-P34 HydrophobicContact CE1-CG 3.9Å
33D86Confident92.6Very high117 Ų11785.3 Ų85.363%0.62642%0.423SS*.  trans-130123.7168.5-163.4-1.8000107.6T35D33-T35 PolarHBondContact O-N 2.57Å; D33-T35 VanDerWaalsContact O-N 3.14Å
34P88.1Confident92.5Very high67 Ų6785.7 Ų85.744%0.43543%0.426SS..  trans-58.1117177.9-25.835000112.4Y32Y32-P34 HydrophobicContact CE1-CG 3.9Å
35T85.7Confident92.5Very high20 Ų2089.7 Ų89.712%0.12344%0.442CS..  trans-69.1140.1176-45.10000110.8S17 D33 D38 A59S17-T35 PolarHBondContact OG-OG1 2.78Å; D33-T35 PolarHBondContact O-N 2.57Å; D33-T35 VanDerWaalsContact O-N 3.14Å; T35-D38 HydrophobicContact CG2-CB 4.46Å; T35-A59 WeakPolarHBondContact O-CA 3.42Å; T35-A59 WeakPolarHBondContact O-CB 3.27Å
36I85.7Confident92.5Very high117 Ų11784.6 Ų84.660%0.642%0.419SS*.SBendtrans-88.3-64.3166.8-62.4176000108.4A59I36-A59 VanDerWaalsContact O-CB 3.25Å; I36-A59 WeakPolarHBondContact O-CB 3.46Å; I36-A59 PolarHBondContact O-N 2.69Å
37E89Confident92.4Very high87 Ų8788.2 Ų88.241%0.40743%0.43SS..EExtended strand (participates in β ladder)trans-168.2130.8172.3-175.1178.494.900107.1L56 D57E37-L56 HydrophobicContact CG-CD1 3.57Å; E37-L56 HydrophobicContact CG-CG 4.14Å; E37-D57 WeakPolarHBondContact CA-O 3.45Å
38D93.5Very high92.3Very high76 Ų7687 Ų8741%0.40644%0.439SS..EExtended strand (participates in β ladder)trans-132.9139.2176.4-80.1-59.7000110.1T35 Y40 D57T35-D38 HydrophobicContact CG2-CB 4.46Å; D38-Y40 HydrophobicContact CB-CD2 4.4Å; D38-Y40 HydrophobicContact CB-CE2 3.61Å; D38-D57 HydrophobicContact CB-CB 4.47Å; D38-D57 PolarHBondContact N-O 3.28Å; D38-D57 PolarHBondContact O-N 3.39Å
39S95.4Very high92.2Very high68 Ų6887.7 Ų87.748%0.47644%0.443SS..EExtended strand (participates in β ladder)trans-112.4125.6176-1780000110.5I55S39-I55 WeakPolarHBondContact CA-O 3.5Å
40Y97.9Very high92.5Very high47 Ų4789.5 Ų89.518%0.18445%0.446CS..EExtended strand (participates in β ladder)trans-115.2147.5178.3-61.1-91.3000110.7T20 V21 V24 D38 E54 I55 D57T20-Y40 HydrophobicContact CG2-CD2 3.36Å; T20-Y40 HydrophobicContact CG2-CE2 3.79Å; T20-Y40 HydrophobicContact CG2-CG 3.93Å; V21-Y40 HydrophobicContact CG2-CE1 4.4Å; V24-Y40 HydrophobicContact CG1-CD1 4.29Å; V24-Y40 HydrophobicContact CG2-CD1 4.46Å; V24-Y40 HydrophobicContact CG2-CG 4.22Å; D38-Y40 HydrophobicContact CB-CD2 4.4Å; D38-Y40 HydrophobicContact CB-CE2 3.61Å; Y40-E54 CarbonylContact O-C 3.57Å; Y40-E54 WeakPolarHBondContact O-CA 3.33Å; Y40-I55 PolarHBondContact N-O 2.75Å; Y40-I55 PolarHBondContact O-N 3.28Å; Y40-D57 HydrophobicContact CD2-CB 4.41Å; Y40-D57 HydrophobicContact CE2-CB 4.09Å
41R98.2Very high92.9Very high146 Ų14682 Ų8255%0.55141%0.411SS*.EExtended strand (participates in β ladder)trans-124133.3173.1-62.8-177.980.4-163.48110.5E3 M52 L53 E54E3-R41 IonicContact OE1-CZ 3.62Å; E3-R41 IonicContact OE1-NE 2.75Å; E3-R41 PolarHBondContact OE1-NE 2.86Å; E3-R41 IonicContact OE1-NH2 3.62Å; E3-R41 PolarHBondContact OE1-NH2 3.42Å; E3-R41 IonicContact OE2-NH2 3.39Å; R41-M52 HydrophobicContact CB-SD 3.99Å; R41-L53 CarbonylContact C-O 3.37Å; R41-L53 VanDerWaalsContact CA-O 3.24Å; R41-L53 WeakPolarHBondContact CA-O 3.47Å; R41-E54 HydrophobicContact CG-CB 4.48Å; R41-E54 HydrophobicContact CG-CG 4.4Å
42K98.3Very high93.5Very high60 Ų6075.7 Ų75.726%0.26138%0.384SS..EExtended strand (participates in β ladder)trans-139.9128.2174.8-176.9163.6172.6162.70111.3F23 V24 V44 M52 L53F23-K42 HydrophobicContact CD1-CD 4.27Å; F23-K42 HydrophobicContact CE1-CB 4.27Å; F23-K42 HydrophobicContact CE1-CD 3.96Å; F23-K42 HydrophobicContact CE1-CG 4.46Å; F23-K42 HydrophobicContact CZ-CD 4.44Å; F23-K42 PolarHBondContact O-NZ 2.7Å; V24-K42 PolarHBondContact O-NZ 3.48Å; K42-V44 HydrophobicContact CD-CG1 4.16Å; K42-V44 HydrophobicContact CG-CG1 3.77Å; K42-M52 VanDerWaalsContact C-SD 3.57Å; K42-L53 PolarHBondContact N-O 2.8Å; K42-L53 PolarHBondContact O-N 3.38Å
43Q98.2Very high94.3Very high110 Ų11069.5 Ų69.551%0.51436%0.36SS..EExtended strand (participates in β ladder)trans-78.2128.7168.2-173.3174.221.400109.3M1 C51 M52M1-Q43 HydrophobicContact CE-CG 3.93Å; M1-Q43 HydrophobicContact SD-CG 3.85Å; M1-Q43 PolarHBondContact SD-NE2 3.33Å; Q43-C51 WeakPolarHBondContact CA-O 3.47Å; Q43-M52 HydrophobicContact CB-CE 4.37Å
44V97.8Very high94.9Very high10 Ų1066.3 Ų66.36%0.06134%0.342CS..EExtended strand (participates in β ladder)trans-137.9166.8178.9-59.80000110.7F23 K42 V46 Q50 C51 L53 Y159F23-V44 HydrophobicContact CE1-CG1 4.47Å; F23-V44 HydrophobicContact CZ-CG1 3.86Å; K42-V44 HydrophobicContact CD-CG1 4.16Å; K42-V44 HydrophobicContact CG-CG1 3.77Å; V44-V46 HydrophobicContact CG2-CG2 4.01Å; V44-Q50 WeakPolarHBondContact O-CA 3.41Å; V44-C51 VanDerWaalsContact CG2-SG 3.57Å; V44-C51 PolarHBondContact N-O 3.34Å; V44-C51 PolarHBondContact O-N 3.21Å; V44-L53 HydrophobicContact CG2-CD1 3.91Å; V44-L53 HydrophobicContact CG2-CD2 4.31Å; V44-L53 HydrophobicContact CG2-CG 3.81Å; V44-Y159 HydrophobicContact CB-CE1 3.95Å; V44-Y159 HydrophobicContact CG1-CE1 4.13Å; V44-Y159 HydrophobicContact CG2-CE1 3.99Å
45E97.2Very high95.4Very high112 Ų11263.1 Ų63.152%0.52332%0.321SS..EExtended strand (participates in β ladder)trans-114.4119.7169.4-171.1176.6133.800109G48 Q49E45-G48 WeakPolarHBondContact OE1-CA 3.47Å; E45-Q49 WeakPolarHBondContact CA-O 3.38Å
46V96.4Very high96Very high3 Ų363.5 Ų63.52%0.01832%0.322CS..EExtended strand (participates in β ladder)trans-119122.6175.3-177.40000107.6V44 G48 Q49 Y159 V162 R163V44-V46 HydrophobicContact CG2-CG2 4.01Å; V46-G48 VanDerWaalsContact C-N 3.27Å; V46-G48 PolarHBondContact O-N 2.9Å; V46-Q49 PolarHBondContact N-O 3.3Å; V46-Q49 PolarHBondContact O-N 2.92Å; V46-Y159 HydrophobicContact CG2-CD1 3.62Å; V46-Y159 HydrophobicContact CG2-CD2 4.31Å; V46-Y159 HydrophobicContact CG2-CE1 3.88Å; V46-Y159 HydrophobicContact CG2-CG 3.86Å; V46-V162 HydrophobicContact CB-CG1 3.95Å; V46-V162 HydrophobicContact CG1-CB 4.34Å; V46-V162 HydrophobicContact CG1-CG1 3.92Å; V46-V162 HydrophobicContact CG2-CB 4.29Å; V46-V162 HydrophobicContact CG2-CG1 4.02Å; V46-V162 HydrophobicContact CG2-CG2 4.42Å; V46-R163 HydrophobicContact CG1-CG 4.09Å
47D94.7Very high96.4Very high107 Ų10758 Ų5857%0.57229%0.294SS*.THydrogen-bonded Turntrans51.643.2179.3-52.5-24000113.3Q49 R163D47-Q49 VanDerWaalsContact C-N 3.27Å; D47-Q49 PolarHBondContact O-N 3.5Å; D47-R163 IonicContact OD1-CZ 3.78Å; D47-R163 IonicContact OD1-NE 3.33Å; D47-R163 PolarHBondContact OD1-NE 3.01Å; D47-R163 VanDerWaalsContact OD1-NE 3.09Å; D47-R163 IonicContact OD1-NH2 2.86Å; D47-R163 PolarHBondContact OD1-NH2 2.83Å; D47-R163 WeakPolarHBondContact OD2-CG 3.5Å; D47-R163 IonicContact OD2-NE 2.7Å; D47-R163 PolarHBondContact OD2-NE 3.23Å
48G94Very high96.6Very high59 Ų5953.9 Ų53.961%0.60828%0.275SS*.THydrogen-bonded Turntrans77.64.9-179.900000114.9E45 V46E45-G48 WeakPolarHBondContact OE1-CA 3.47Å; V46-G48 VanDerWaalsContact C-N 3.27Å; V46-G48 PolarHBondContact O-N 2.9Å
49Q94Very high96.5Very high86 Ų8650.7 Ų50.740%0.40226%0.259SS..EExtended strand (participates in β ladder)trans-112.9118.3-179.9-60.6-166.8-41.900111.3E45 V46 D47 C51E45-Q49 WeakPolarHBondContact CA-O 3.38Å; V46-Q49 PolarHBondContact N-O 3.3Å; V46-Q49 PolarHBondContact O-N 2.92Å; D47-Q49 VanDerWaalsContact C-N 3.27Å; D47-Q49 PolarHBondContact O-N 3.5Å; Q49-C51 PolarHBondContact O-N 2.92Å
50Q96.7Very high95.8Very high126 Ų12647.7 Ų47.759%0.58924%0.239SC*.EExtended strand (participates in β ladder)trans-66132.2170.6-68.7-174.2-13.400110.8M1 V44M1-Q50 WeakPolarHBondContact CG-O 3.49Å; M1-Q50 HydrophobicContact SD-CB 4.05Å; V44-Q50 WeakPolarHBondContact O-CA 3.41Å
51C97.3Very high94.6Very high3 Ų346.3 Ų46.32%0.0224%0.235CC..EExtended strand (participates in β ladder)trans-144.8160.9177.356.60000112.9M1 R2 Y4 Q43 V44 Q49M1-C51 VanDerWaalsContact CG-CA 3.44Å; M1-C51 VanDerWaalsContact SD-CA 3.59Å; R2-C51 WeakPolarHBondContact O-CA 3.4Å; R2-C51 WeakPolarHBondContact O-CB 3.18Å; Y4-C51 HydrophobicContact CD2-CB 3.82Å; Y4-C51 HydrophobicContact CE2-CB 3.36Å; Q43-C51 WeakPolarHBondContact CA-O 3.47Å; V44-C51 VanDerWaalsContact CG2-SG 3.57Å; V44-C51 PolarHBondContact N-O 3.34Å; V44-C51 PolarHBondContact O-N 3.21Å; Q49-C51 PolarHBondContact O-N 2.92Å
52M98.4Very high93.3Very high38 Ų3844.6 Ų44.619%0.18723%0.233CC..EExtended strand (participates in β ladder)trans-100.7127.7169.4-17462.974.100108.9M1 R2 E3 Y4 R41 K42 Q43M1-M52 HydrophobicContact CE-CB 4Å; M1-M52 HydrophobicContact CE-CE 3.92Å; R2-M52 PolarHBondContact O-N 3.37Å; E3-M52 CarbonylContact C-O 3.56Å; E3-M52 VanDerWaalsContact CA-O 3.3Å; E3-M52 WeakPolarHBondContact CA-O 3.06Å; E3-M52 HydrophobicContact CB-CB 4.42Å; E3-M52 HydrophobicContact CG-CB 4.37Å; E3-M52 HydrophobicContact CG-CG 4.47Å; Y4-M52 PolarHBondContact N-O 3.02Å; R41-M52 HydrophobicContact CB-SD 3.99Å; K42-M52 VanDerWaalsContact C-SD 3.57Å; Q43-M52 HydrophobicContact CB-CE 4.37Å
53L98.7Very high91.7Very high0 Ų044.8 Ų44.80%024%0.235CC..EExtended strand (participates in β ladder)trans-99.4125.7166-51.9-170.7000108.6Y4 L6 F23 R41 K42 V44 I55 F158 V162Y4-L53 HydrophobicContact CD2-CD2 3.82Å; Y4-L53 HydrophobicContact CG-CD2 4.07Å; L6-L53 HydrophobicContact CD1-CD1 4.02Å; L6-L53 HydrophobicContact CD1-CD2 4.41Å; F23-L53 HydrophobicContact CE1-CD1 3.93Å; F23-L53 HydrophobicContact CZ-CD1 3.71Å; R41-L53 CarbonylContact C-O 3.37Å; R41-L53 VanDerWaalsContact CA-O 3.24Å; R41-L53 WeakPolarHBondContact CA-O 3.47Å; K42-L53 PolarHBondContact N-O 2.8Å; K42-L53 PolarHBondContact O-N 3.38Å; V44-L53 HydrophobicContact CG2-CD1 3.91Å; V44-L53 HydrophobicContact CG2-CD2 4.31Å; V44-L53 HydrophobicContact CG2-CG 3.81Å; L53-I55 HydrophobicContact CB-CD1 4.45Å; L53-I55 HydrophobicContact CB-CG1 4.23Å; L53-F158 HydrophobicContact CD1-CB 4.07Å; L53-V162 HydrophobicContact CD1-CG2 4.18Å; L53-V162 HydrophobicContact CD2-CG2 3.34Å; L53-V162 HydrophobicContact CG-CG2 4.42Å
54E98.4Very high90.1Very high51 Ų5145.1 Ų45.124%0.23824%0.235CC..EExtended strand (participates in β ladder)trans-100.2111164.3-176.6-175.7-178.200106.5Y4 K5 L6 Y40 R41Y4-E54 PolarHBondContact O-N 2.91Å; K5-E54 CarbonylContact C-O 3.39Å; K5-E54 WeakPolarHBondContact CA-O 3.36Å; K5-E54 WeakPolarHBondContact CE-OE2 3.49Å; K5-E54 IonicContact NZ-OE2 3.67Å; L6-E54 PolarHBondContact N-O 2.74Å; Y40-E54 CarbonylContact O-C 3.57Å; Y40-E54 WeakPolarHBondContact O-CA 3.33Å; R41-E54 HydrophobicContact CG-CB 4.48Å; R41-E54 HydrophobicContact CG-CG 4.4Å
55I98.7Very high88.6Confident0 Ų049.1 Ų49.10%026%0.259CS..EExtended strand (participates in β ladder)trans-109115-176.6-58.7165.1000108L6 V8 T20 F23 V24 S39 Y40 L53 F158L6-I55 HydrophobicContact CB-CG1 4.31Å; L6-I55 HydrophobicContact CD1-CG1 4.47Å; L6-I55 CarbonylContact O-C 3.57Å; L6-I55 WeakPolarHBondContact O-CA 3.48Å; V8-I55 HydrophobicContact CG2-CG2 3.79Å; T20-I55 HydrophobicContact CG2-CB 4.3Å; T20-I55 HydrophobicContact CG2-CG2 3.71Å; F23-I55 HydrophobicContact CD1-CD1 3.46Å; F23-I55 VanDerWaalsContact CD1-CD1 3.46Å; F23-I55 HydrophobicContact CE1-CD1 3.57Å; V24-I55 HydrophobicContact CG2-CD1 4.26Å; S39-I55 WeakPolarHBondContact CA-O 3.5Å; Y40-I55 PolarHBondContact N-O 2.75Å; Y40-I55 PolarHBondContact O-N 3.28Å; L53-I55 HydrophobicContact CB-CD1 4.45Å; L53-I55 HydrophobicContact CB-CG1 4.23Å; I55-F158 HydrophobicContact CD1-CD1 3.67Å; I55-F158 HydrophobicContact CD1-CE1 3.64Å; I55-F158 HydrophobicContact CD1-CG 4.34Å; I55-F158 HydrophobicContact CD1-CZ 4.31Å; I55-F158 HydrophobicContact CG1-CD1 4.13Å; I55-F158 HydrophobicContact CG1-CE1 4.12Å; I55-F158 HydrophobicContact CG2-CE1 3.88Å
56L97.1Very high87.3Confident28 Ų2848.4 Ų48.415%0.14727%0.273CS..EExtended strand (participates in β ladder)trans-87.7111.6169.7-168.371.3000109.3L6 V7 V8 E37 T58 Y71L6-L56 PolarHBondContact O-N 2.99Å; V7-L56 HydrophobicContact CG1-CB 4.36Å; V7-L56 HydrophobicContact CG1-CD2 4.28Å; V7-L56 HydrophobicContact CG2-CB 4.33Å; V8-L56 PolarHBondContact N-O 2.94Å; E37-L56 HydrophobicContact CG-CD1 3.57Å; E37-L56 HydrophobicContact CG-CG 4.14Å; L56-T58 HydrophobicContact CD2-CG2 4.22Å; L56-T58 HydrophobicContact CG-CG2 4.23Å; L56-Y71 HydrophobicContact CD2-CD1 4.1Å; L56-Y71 HydrophobicContact CD2-CG 3.86Å
57D95.1Very high86.3Confident0 Ų052.7 Ų52.70%029%0.294CS..EExtended strand (participates in β ladder)trans-89.8129.1168.8-175.331.1000109.4K16 S17 T20 E37 D38 Y40K16-D57 WeakPolarHBondContact CB-OD1 3.26Å; S17-D57 WeakPolarHBondContact CA-OD2 3.4Å; S17-D57 WeakPolarHBondContact CB-OD2 3.44Å; S17-D57 PolarHBondContact N-OD1 3.39Å; S17-D57 PolarHBondContact OG-OD1 2.94Å; S17-D57 PolarHBondContact OG-OD2 3.31Å; T20-D57 HydrophobicContact CG2-CB 4.35Å; E37-D57 WeakPolarHBondContact CA-O 3.45Å; D38-D57 HydrophobicContact CB-CB 4.47Å; D38-D57 PolarHBondContact N-O 3.28Å; D38-D57 PolarHBondContact O-N 3.39Å; Y40-D57 HydrophobicContact CD2-CB 4.41Å; Y40-D57 HydrophobicContact CE2-CB 4.09Å
58T93.4Very high85.9Confident2 Ų248.3 Ų48.31%0.01227%0.269CS..EExtended strand (participates in β ladder)trans-113.7159.4-168.664.70000112V7 V8 L9 K16 L56 Y71V7-T58 HydrophobicContact CG1-CG2 3.85Å; V8-T58 PolarHBondContact O-OG1 3.46Å; L9-T58 HydrophobicContact CD2-CG2 3.99Å; K16-T58 WeakPolarHBondContact CE-O 3.5Å; L56-T58 HydrophobicContact CD2-CG2 4.22Å; L56-T58 HydrophobicContact CG-CG2 4.23Å; T58-Y71 HydrophobicContact CG2-CD1 4.47Å; T58-Y71 HydrophobicContact CG2-CE1 4.2Å
59A89.8Confident85.7Confident9 Ų949.2 Ų49.27%0.07426%0.26CS..  trans-56.9165.7166.300000112.8K16 T35 I36 Q63 F64K16-A59 WeakPolarHBondContact CE-O 3.27Å; K16-A59 PolarHBondContact NZ-O 3.32Å; T35-A59 WeakPolarHBondContact O-CA 3.42Å; T35-A59 WeakPolarHBondContact O-CB 3.27Å; I36-A59 VanDerWaalsContact O-CB 3.25Å; I36-A59 WeakPolarHBondContact O-CB 3.46Å; I36-A59 PolarHBondContact O-N 2.69Å; A59-Q63 HydrophobicContact CB-CB 4.1Å; A59-F64 HydrophobicContact CB-CD2 4.2Å
60G82.3Confident85.5Confident5 Ų550.4 Ų50.45%0.05227%0.269CS..  trans-53143.3165.700000111.7E62 Q63G60-E62 WeakPolarHBondContact CA-OE2 3.35Å; G60-E62 PolarHBondContact O-N 3.38Å; G60-E62 VanDerWaalsContact O-N 3.1Å; G60-Q63 WeakPolarHBondContact O-CA 3.44Å; G60-Q63 WeakPolarHBondContact O-CB 3.49Å; G60-Q63 PolarHBondContact O-N 3Å
61T72.7Confident85.3Confident17 Ų1745.5 Ų45.510%0.10425%0.245CC..THydrogen-bonded Turntrans-74.43.4-175.750.20000114.4G10 S11 Q63 R68 L96G10-T61 WeakPolarHBondContact O-CG2 3.48Å; G10-T61 PolarHBondContact O-N 2.94Å; S11-T61 WeakPolarHBondContact CA-OG1 3.35Å; S11-T61 PolarHBondContact N-OG1 3.34Å; T61-Q63 VanDerWaalsContact C-N 3.33Å; T61-R68 PolarHBondContact O-NH1 2.95Å; T61-R68 PolarHBondContact O-NH2 3.38Å; T61-L96 HydrophobicContact CG2-CD1 3.54Å; T61-L96 HydrophobicContact CG2-CD2 3.41Å; T61-L96 VanDerWaalsContact CG2-CD2 3.41Å; T61-L96 HydrophobicContact CG2-CG 4.06Å
62E70Confident85.2Confident111 Ų11145.4 Ų45.452%0.51924%0.244SC..THydrogen-bonded Turntrans-82.9-11.716268.1-71.3173.100112.8G12 G60G12-E62 WeakPolarHBondContact CA-OE1 3.48Å; G12-E62 PolarHBondContact N-OE1 3.44Å; G12-E62 PolarHBondContact N-OE2 3.09Å; G60-E62 WeakPolarHBondContact CA-OE2 3.35Å; G60-E62 PolarHBondContact O-N 3.38Å; G60-E62 VanDerWaalsContact O-N 3.1Å
63Q65.1Low85Confident64 Ų6450.5 Ų50.530%0.29927%0.266SS..SBendtrans-113.7147.1-174-45.1-177.54.200111.4A59 G60 T61 T65 R68A59-Q63 HydrophobicContact CB-CB 4.1Å; G60-Q63 WeakPolarHBondContact O-CA 3.44Å; G60-Q63 WeakPolarHBondContact O-CB 3.49Å; G60-Q63 PolarHBondContact O-N 3Å; T61-Q63 VanDerWaalsContact C-N 3.33Å; Q63-T65 PolarHBondContact O-N 3.19Å; Q63-R68 PolarHBondContact O-NH2 2.93Å
64F65Low84.9Confident117 Ų11754.8 Ų54.851%0.51329%0.288SS..  trans51.353.1168.4-55.6-77000116.6A59 A66 M67A59-F64 HydrophobicContact CB-CD2 4.2Å; F64-A66 PolarHBondContact O-N 3.22Å; F64-M67 PolarHBondContact O-N 3.07Å
65T65.5Low84.8Confident93 Ų9352.5 Ų52.557%0.57128%0.278SS*.G310 helixtrans-61.5-26.4-179.853.50000114.5Q63 M67 R68Q63-T65 PolarHBondContact O-N 3.19Å; T65-M67 VanDerWaalsContact C-N 3.29Å; T65-M67 PolarHBondContact O-N 3.25Å; T65-R68 WeakPolarHBondContact O-CG 3.24Å; T65-R68 PolarHBondContact O-N 2.98Å
66A69Low84.8Confident98 Ų9855.8 Ų55.881%0.8129%0.294SS*.G310 helixtrans-67.1-25.2-174.900000114.2F64F64-A66 PolarHBondContact O-N 3.22Å
67M77.1Confident84.9Confident92 Ų9254.5 Ų54.545%0.45329%0.287SS..G310 helixtrans-96.4-2.6-177.4-63.6-164.4-64.200113.7F64 T65 D69 L70 Y71F64-M67 PolarHBondContact O-N 3.07Å; T65-M67 VanDerWaalsContact C-N 3.29Å; T65-M67 PolarHBondContact O-N 3.25Å; M67-D69 PolarHBondContact O-N 3.42Å; M67-L70 WeakPolarHBondContact O-CB 3.39Å; M67-L70 PolarHBondContact O-N 2.83Å; M67-Y71 WeakPolarHBondContact O-CD1 3.39Å
68R85Confident85Confident15 Ų1554.5 Ų54.56%0.05729%0.287CS..Hα-helixtrans-61.9-43.6-173.9-60-150.3172.6136.121.6113.9T61 Q63 T65 L70 Y71 M72T61-R68 PolarHBondContact O-NH1 2.95Å; T61-R68 PolarHBondContact O-NH2 3.38Å; Q63-R68 PolarHBondContact O-NH2 2.93Å; T65-R68 WeakPolarHBondContact O-CG 3.24Å; T65-R68 PolarHBondContact O-N 2.98Å; R68-L70 PolarHBondContact O-N 2.88Å; R68-L70 VanDerWaalsContact O-N 3.16Å; R68-Y71 HydrophobicContact CB-CE1 4.34Å; R68-Y71 HydrophobicContact CB-CE2 4.11Å; R68-Y71 VanDerWaalsContact CD-OH 3.27Å; R68-Y71 WeakPolarHBondContact CD-OH 3.35Å; R68-Y71 HydrophobicContact CG-CE1 4.27Å; R68-Y71 HydrophobicContact CG-CE2 4.46Å; R68-Y71 WeakPolarHBondContact CG-OH 3.43Å; R68-Y71 PolarHBondContact NE-OH 2.95Å; R68-Y71 VanDerWaalsContact O-CD2 3.27Å; R68-Y71 WeakPolarHBondContact O-CD2 3.49Å; R68-Y71 WeakPolarHBondContact O-CE2 3.41Å; R68-Y71 PolarHBondContact O-N 2.97Å; R68-M72 HydrophobicContact CB-CE 4.11Å; R68-M72 HydrophobicContact CB-SD 4.33Å; R68-M72 WeakPolarHBondContact O-CB 3.41Å; R68-M72 VanDerWaalsContact O-CG 3.23Å; R68-M72 WeakPolarHBondContact O-CG 3.41Å; R68-M72 PolarHBondContact O-N 2.76Å
69D90.1Very high85.3Confident79 Ų7954.4 Ų54.442%0.42229%0.287SS..Hα-helixtrans-61.9-29.4-176.4-67.92.3000110.8M67 K73 Q99 V103M67-D69 PolarHBondContact O-N 3.42Å; D69-K73 WeakPolarHBondContact O-CB 3.43Å; D69-K73 PolarHBondContact O-N 2.94Å; D69-Q99 PolarHBondContact OD1-NE2 3.29Å; D69-V103 HydrophobicContact CB-CG2 4.2Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.34Å
70L91.1Very high85.7Confident111 Ų11154 Ų5458%0.58128%0.283SS*.Hα-helixtrans-68-53.1179.3-176.662.8000112.1M67 R68 M72 K73 N74M67-L70 WeakPolarHBondContact O-CB 3.39Å; M67-L70 PolarHBondContact O-N 2.83Å; R68-L70 PolarHBondContact O-N 2.88Å; R68-L70 VanDerWaalsContact O-N 3.16Å; L70-M72 VanDerWaalsContact C-N 3.35Å; L70-K73 PolarHBondContact O-N 2.86Å; L70-N74 WeakPolarHBondContact O-CB 3.47Å; L70-N74 PolarHBondContact O-N 2.8Å; L70-N74 PolarHBondContact O-ND2 2.82Å
71Y91.7Very high86.5Confident23 Ų2353.8 Ų53.89%0.0928%0.281CS..Hα-helixtrans-72.9-29.1179.358.1-117.5000112.3V7 L9 L56 T58 M67 R68 N74 G75V7-Y71 HydrophobicContact CG1-CD2 3.84Å; V7-Y71 HydrophobicContact CG1-CE2 4.35Å; V7-Y71 HydrophobicContact CG1-CG 4.39Å; L9-Y71 HydrophobicContact CD1-CE2 4.29Å; L9-Y71 HydrophobicContact CD2-CD2 4.34Å; L9-Y71 HydrophobicContact CD2-CE2 3.41Å; L9-Y71 VanDerWaalsContact CD2-CE2 3.41Å; L9-Y71 WeakPolarHBondContact CD2-OH 3.1Å; L9-Y71 HydrophobicContact CG-CE2 4.41Å; L56-Y71 HydrophobicContact CD2-CD1 4.1Å; L56-Y71 HydrophobicContact CD2-CG 3.86Å; T58-Y71 HydrophobicContact CG2-CD1 4.47Å; T58-Y71 HydrophobicContact CG2-CE1 4.2Å; M67-Y71 WeakPolarHBondContact O-CD1 3.39Å; R68-Y71 HydrophobicContact CB-CE1 4.34Å; R68-Y71 HydrophobicContact CB-CE2 4.11Å; R68-Y71 VanDerWaalsContact CD-OH 3.27Å; R68-Y71 WeakPolarHBondContact CD-OH 3.35Å; R68-Y71 HydrophobicContact CG-CE1 4.27Å; R68-Y71 HydrophobicContact CG-CE2 4.46Å; R68-Y71 WeakPolarHBondContact CG-OH 3.43Å; R68-Y71 PolarHBondContact NE-OH 2.95Å; R68-Y71 VanDerWaalsContact O-CD2 3.27Å; R68-Y71 WeakPolarHBondContact O-CD2 3.49Å; R68-Y71 WeakPolarHBondContact O-CE2 3.41Å; R68-Y71 PolarHBondContact O-N 2.97Å; Y71-N74 PolarHBondContact O-N 3.39Å; Y71-G75 WeakPolarHBondContact O-CA 3.27Å; Y71-G75 PolarHBondContact O-N 2.78Å
72M94.5Very high87.7Confident0 Ų053 Ų530%028%0.276CS..Hα-helixtrans-67.7-39.3172.3-70.5178.3-178.700111L9 R68 L70 F78 L96 Q99 I100 V103 K104L9-M72 HydrophobicContact CD1-CE 4.15Å; R68-M72 HydrophobicContact CB-CE 4.11Å; R68-M72 HydrophobicContact CB-SD 4.33Å; R68-M72 WeakPolarHBondContact O-CB 3.41Å; R68-M72 VanDerWaalsContact O-CG 3.23Å; R68-M72 WeakPolarHBondContact O-CG 3.41Å; R68-M72 PolarHBondContact O-N 2.76Å; L70-M72 VanDerWaalsContact C-N 3.35Å; M72-F78 HydrophobicContact CG-CE1 4.45Å; M72-F78 WeakPolarHBondContact O-CZ 3.36Å; M72-L96 HydrophobicContact CE-CD2 4.41Å; M72-Q99 HydrophobicContact CE-CB 4.22Å; M72-Q99 HydrophobicContact CE-CG 4.03Å; M72-Q99 HydrophobicContact SD-CB 4.15Å; M72-Q99 HydrophobicContact SD-CG 3.62Å; M72-I100 HydrophobicContact CE-CG1 3.83Å; M72-I100 HydrophobicContact CG-CG1 3.97Å; M72-I100 HydrophobicContact SD-CG1 3.8Å; M72-V103 HydrophobicContact CB-CB 4.06Å; M72-V103 HydrophobicContact CB-CG1 3.75Å; M72-V103 HydrophobicContact CB-CG2 4.37Å; M72-V103 HydrophobicContact SD-CG2 4.35Å; M72-K104 WeakPolarHBondContact O-CE 3.41Å; M72-K104 PolarHBondContact O-NZ 2.9Å
73K95.5Very high89.1Confident146 Ų14647.8 Ų47.864%0.63525%0.252SS*.Hα-helixtrans-64.1-43.7174.4-174.8174.6-175.7175.80111.5D69 L70 V103 K104D69-K73 WeakPolarHBondContact O-CB 3.43Å; D69-K73 PolarHBondContact O-N 2.94Å; L70-K73 PolarHBondContact O-N 2.86Å; K73-V103 HydrophobicContact CB-CG1 3.95Å; K73-K104 PolarHBondContact O-NZ 3.47Å
74N95Very high90.7Very high90 Ų9044.8 Ų44.848%0.48124%0.238SC..Hα-helixtrans-84.9-26.4-174.6-67.1-24.7000114.8L70 Y71L70-N74 WeakPolarHBondContact O-CB 3.47Å; L70-N74 PolarHBondContact O-N 2.8Å; L70-N74 PolarHBondContact O-ND2 2.82Å; Y71-N74 PolarHBondContact O-N 3.39Å
75G97.5Very high92.3Very high2 Ų240.8 Ų40.82%0.02122%0.223CC..  trans-68.3140.4-178.600000112.7Y71 F78 K104Y71-G75 WeakPolarHBondContact O-CA 3.27Å; Y71-G75 PolarHBondContact O-N 2.78Å; G75-F78 WeakPolarHBondContact O-CZ 3.41Å; G75-K104 WeakPolarHBondContact O-CE 3.36Å; G75-K104 PolarHBondContact O-NZ 2.84Å
76Q98.3Very high93.9Very high70 Ų7037.8 Ų37.833%0.32721%0.208SC..SBendtrans-98.5-25.3179.4-64.8173.1-6800112.7K5 P110 I165K5-Q76 HydrophobicContact CB-CG 4.35Å; K5-Q76 WeakPolarHBondContact O-CA 3.34Å; K5-Q76 WeakPolarHBondContact O-CB 3.38Å; K5-Q76 PolarHBondContact O-N 3.45Å; Q76-P110 WeakPolarHBondContact O-CB 3.42Å; Q76-P110 WeakPolarHBondContact O-CG 3.36Å; Q76-I165 HydrophobicContact CB-CD1 3.72Å; Q76-I165 HydrophobicContact CB-CG1 4.18Å; Q76-I165 WeakPolarHBondContact O-CG1 3.37Å
77G98.6Very high95.3Very high0 Ų036 Ų360%018%0.182CC..EExtended strand (participates in β ladder)trans-145.7148.1174.600000112.2K5 L6 V7 P110K5-G77 PolarHBondContact O-N 2.98Å; L6-G77 CarbonylContact C-O 3.45Å; L6-G77 WeakPolarHBondContact CA-O 3.3Å; V7-G77 PolarHBondContact N-O 3.44Å; G77-P110 WeakPolarHBondContact CA-O 3.31Å
78F98.6Very high96.3Very high0 Ų035 Ų350%018%0.184CC..EExtended strand (participates in β ladder)trans-126.6122-169.4-59.1-85.9000111.5V7 L9 M72 G75 L80 I100 V109 P110 M111 I112V7-F78 HydrophobicContact CB-CD1 3.85Å; V7-F78 HydrophobicContact CB-CE1 3.98Å; V7-F78 HydrophobicContact CG2-CD1 4.31Å; V7-F78 HydrophobicContact CG2-CE1 3.95Å; V7-F78 WeakPolarHBondContact O-CA 3.12Å; L9-F78 HydrophobicContact CD1-CD1 3.94Å; M72-F78 HydrophobicContact CG-CE1 4.45Å; M72-F78 WeakPolarHBondContact O-CZ 3.36Å; G75-F78 WeakPolarHBondContact O-CZ 3.41Å; F78-L80 HydrophobicContact CB-CD1 3.79Å; F78-I100 HydrophobicContact CB-CD1 4.11Å; F78-I100 HydrophobicContact CD1-CD1 4.05Å; F78-I100 HydrophobicContact CD1-CG1 4.35Å; F78-I100 HydrophobicContact CD2-CG2 3.9Å; F78-I100 HydrophobicContact CE2-CG2 3.95Å; F78-I100 HydrophobicContact CG-CD1 4.04Å; F78-I100 HydrophobicContact CG-CG2 4.2Å; F78-I100 HydrophobicContact CZ-CG2 4.32Å; F78-V109 HydrophobicContact CD2-CG1 3.53Å; F78-V109 HydrophobicContact CE2-CG1 3.63Å; F78-P110 PolarHBondContact N-O 2.65Å; F78-M111 VanDerWaalsContact O-CA 3.31Å; F78-M111 WeakPolarHBondContact O-CA 3.48Å; F78-I112 PolarHBondContact O-N 2.93Å
79A98.9Very high96.9Very high1 Ų134.8 Ų34.81%0.00819%0.185CC..EExtended strand (participates in β ladder)trans-94.9115.416700000108.8V7 V8 L9 V81 I112 V114 I157 L161V7-A79 PolarHBondContact O-N 2.92Å; V8-A79 HydrophobicContact CG1-CB 4.41Å; V8-A79 HydrophobicContact CG2-CB 4.47Å; L9-A79 PolarHBondContact N-O 2.84Å; A79-V81 HydrophobicContact CB-CG2 4.46Å; A79-I112 HydrophobicContact CB-CG2 3.99Å; A79-V114 HydrophobicContact CB-CG2 4.48Å; A79-I157 HydrophobicContact CB-CG2 4.04Å; A79-L161 HydrophobicContact CB-CD1 4.17Å
80L98.7Very high97.3Very high0 Ų032 Ų320%017%0.169CC..EExtended strand (participates in β ladder)trans-98.9109.6176-82.166.4000108.3F78 L93 L96 R97 I100 M111 I112 V114 W138F78-L80 HydrophobicContact CB-CD1 3.79Å; L80-L93 HydrophobicContact CB-CD1 4.25Å; L80-L93 HydrophobicContact CB-CD2 4.2Å; L80-L96 HydrophobicContact CD2-CB 4.44Å; L80-R97 HydrophobicContact CD2-CB 3.98Å; L80-I100 HydrophobicContact CD1-CD1 3.72Å; L80-I100 HydrophobicContact CD2-CD1 4.4Å; L80-I100 HydrophobicContact CG-CD1 4.4Å; L80-M111 HydrophobicContact CD1-CE 4.09Å; L80-M111 HydrophobicContact CD1-CG 3.81Å; L80-M111 HydrophobicContact CD1-SD 3.92Å; L80-M111 HydrophobicContact CD2-CE 4.45Å; L80-M111 HydrophobicContact CD2-SD 3.92Å; L80-I112 PolarHBondContact N-O 2.79Å; L80-V114 PolarHBondContact O-N 3.26Å; L80-W138 HydrophobicContact CD2-CH2 4.06Å; L80-W138 HydrophobicContact CD2-CZ3 4.03Å
81V98.9Very high97.6Very high1 Ų131.2 Ų31.21%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-108126.6-168.5-1700000110.5V8 L9 G10 V14 K16 L19 A79 V114 N116V8-V81 HydrophobicContact CG1-CG2 3.64Å; L9-V81 PolarHBondContact O-N 3.17Å; G10-V81 WeakPolarHBondContact CA-O 3.37Å; V14-V81 HydrophobicContact CB-CG1 4.28Å; V14-V81 HydrophobicContact CG2-CB 4Å; V14-V81 HydrophobicContact CG2-CG1 3.88Å; V14-V81 WeakPolarHBondContact CG2-O 3.42Å; K16-V81 HydrophobicContact CG-CB 4.34Å; K16-V81 HydrophobicContact CG-CG2 4.5Å; L19-V81 HydrophobicContact CD1-CG1 3.89Å; L19-V81 HydrophobicContact CD1-CG2 4.18Å; A79-V81 HydrophobicContact CB-CG2 4.46Å; V81-V114 WeakPolarHBondContact CA-O 3.4Å; V81-V114 HydrophobicContact CG1-CB 4.45Å; V81-V114 HydrophobicContact CG1-CG1 4.37Å; V81-V114 HydrophobicContact CG2-CB 4.18Å; V81-N116 HydrophobicContact CG1-CB 3.75Å
82Y98.8Very high97.8Very high0 Ų033.2 Ų33.20%018%0.178CC..EExtended strand (participates in β ladder)trans-117.7164165.770.4-84.4000110.5I84 T89 F90 L93 L113 V114 N116 V126 F143Y82-I84 HydrophobicContact CE2-CG2 4.02Å; Y82-T89 WeakPolarHBondContact CB-O 3.31Å; Y82-F90 AromaticContact CD1-CD2 3.81Å; Y82-F90 HydrophobicContact CD1-CD2 3.81Å; Y82-F90 HydrophobicContact CD2-CB 3.9Å; Y82-F90 AromaticContact CD2-CD2 3.88Å; Y82-F90 HydrophobicContact CD2-CD2 3.88Å; Y82-F90 HydrophobicContact CD2-CG 4.37Å; Y82-F90 AromaticContact CE1-CD2 3.75Å; Y82-F90 HydrophobicContact CE1-CD2 3.75Å; Y82-F90 HydrophobicContact CE1-CE2 4.14Å; Y82-F90 AromaticContact CE2-CD2 3.85Å; Y82-F90 HydrophobicContact CE2-CD2 3.85Å; Y82-F90 HydrophobicContact CG-CB 4.06Å; Y82-F90 AromaticContact CG-CD2 3.87Å; Y82-F90 HydrophobicContact CG-CD2 3.87Å; Y82-F90 HydrophobicContact CG-CG 4.48Å; Y82-F90 AromaticContact CZ-CD2 3.78Å; Y82-L93 HydrophobicContact CD1-CD1 3.72Å; Y82-L93 HydrophobicContact CG-CD1 4.2Å; Y82-L113 HydrophobicContact CD1-CD1 3.85Å; Y82-L113 HydrophobicContact CE1-CD1 3.93Å; Y82-L113 HydrophobicContact CE1-CG 4.12Å; Y82-V114 VanDerWaalsContact CD1-O 3.24Å; Y82-V114 WeakPolarHBondContact CD1-O 3.49Å; Y82-V114 PolarHBondContact N-O 3.03Å; Y82-N116 PolarHBondContact O-N 3.38Å; Y82-V126 HydrophobicContact CD2-CB 4.49Å; Y82-V126 HydrophobicContact CD2-CG1 4.34Å; Y82-V126 HydrophobicContact CD2-CG2 4.36Å; Y82-V126 HydrophobicContact CE2-CB 3.9Å; Y82-V126 HydrophobicContact CE2-CG1 3.59Å; Y82-V126 HydrophobicContact CE2-CG2 4.25Å; Y82-F143 HydrophobicContact CE1-CE2 4.3Å
83S98.8Very high97.9Very high2 Ų233.2 Ų33.21%0.01418%0.178CC..EExtended strand (participates in β ladder)trans-94.8128.8171.1-166.40000109.1T85 A86 T89 K117S83-T85 PolarHBondContact O-N 2.99Å; S83-T85 PolarHBondContact OG-OG1 2.93Å; S83-A86 PolarHBondContact O-N 2.97Å; S83-T89 PolarHBondContact N-OG1 3.46Å; S83-K117 WeakPolarHBondContact OG-CD 3.33Å; S83-K117 WeakPolarHBondContact OG-CE 3.26Å; S83-K117 PolarHBondContact OG-NZ 2.64Å
84I98.9Very high98Very high0 Ų029.2 Ų29.20%016%0.161CC..THydrogen-bonded Turntrans-62.2-16.9176.464.8151.4000113Y82 N116 K117 C118 R124 V125 V126Y82-I84 HydrophobicContact CE2-CG2 4.02Å; I84-N116 PolarHBondContact N-O 2.97Å; I84-K117 WeakPolarHBondContact CD1-O 3.39Å; I84-K117 WeakPolarHBondContact CG1-O 3.46Å; I84-C118 HydrophobicContact CD1-CB 4.44Å; I84-R124 HydrophobicContact CD1-CB 4.07Å; I84-R124 HydrophobicContact CD1-CG 4.14Å; I84-R124 VanDerWaalsContact CD1-CZ 3.45Å; I84-V125 PolarHBondContact O-N 3.25Å; I84-V126 PolarHBondContact O-N 2.59Å
85T98.7Very high97.9Very high34 Ų3430.3 Ų30.321%0.20917%0.167CC..THydrogen-bonded Turntrans-920.6179.266.40000114S83 L120 E123 V125S83-T85 PolarHBondContact O-N 2.99Å; S83-T85 PolarHBondContact OG-OG1 2.93Å; T85-L120 HydrophobicContact CG2-CB 3.74Å; T85-L120 HydrophobicContact CG2-CD1 3.99Å; T85-E123 WeakPolarHBondContact CA-O 3.41Å; T85-E123 HydrophobicContact CG2-CB 3.63Å; T85-V125 VanDerWaalsContact C-CG2 3.44Å
86A98.4Very high97.7Very high30 Ų3030.4 Ų30.425%0.24817%0.167CC..  trans-142.399.7-178.200000112.4S83 S88 T89S83-A86 PolarHBondContact O-N 2.97Å; A86-S88 VanDerWaalsContact C-N 3.28Å; A86-S88 PolarHBondContact O-N 3.04Å; A86-T89 HydrophobicContact CB-CG2 3.77Å; A86-T89 PolarHBondContact O-N 3.36Å; A86-T89 VanDerWaalsContact O-N 3.08Å; A86-T89 PolarHBondContact O-OG1 3.31Å
87Q98.4Very high97.7Very high59 Ų5928.6 Ų28.628%0.27616%0.158SC..Hα-helixtrans-58-35.3-177.4-176.264.254.900113.6T89 F90 N91 V125 V126Q87-T89 VanDerWaalsContact C-N 3.29Å; Q87-T89 PolarHBondContact O-N 3.16Å; Q87-F90 VanDerWaalsContact NE2-CD1 3.33Å; Q87-F90 WeakPolarHBondContact O-CB 3.45Å; Q87-F90 PolarHBondContact O-N 2.84Å; Q87-N91 PolarHBondContact NE2-OD1 2.82Å; Q87-N91 VanDerWaalsContact O-CG 3.29Å; Q87-N91 PolarHBondContact O-N 3.04Å; Q87-N91 VanDerWaalsContact O-N 3.16Å; Q87-N91 PolarHBondContact O-OD1 3.05Å; Q87-V125 HydrophobicContact CB-CG2 4.16Å; Q87-V126 HydrophobicContact CB-CG2 4.43Å
88S97.5Very high97.5Very high71 Ų7133.2 Ų33.250%0.49718%0.179SC..Hα-helixtrans-57.4-43176.350.40000112A86 F90 N91 D92A86-S88 VanDerWaalsContact C-N 3.28Å; A86-S88 PolarHBondContact O-N 3.04Å; S88-F90 PolarHBondContact O-N 3.33Å; S88-N91 WeakPolarHBondContact O-CB 3.25Å; S88-N91 PolarHBondContact O-N 3.09Å; S88-D92 VanDerWaalsContact O-CG 3.22Å; S88-D92 PolarHBondContact O-N 3.34Å
89T98.1Very high97.3Very high11 Ų1134.6 Ų34.67%0.06719%0.186CC..Hα-helixtrans-66.1-23.8-17972.20000113.6V14 Y82 S83 A86 Q87 L93V14-T89 HydrophobicContact CG1-CG2 3.7Å; Y82-T89 WeakPolarHBondContact CB-O 3.31Å; S83-T89 PolarHBondContact N-OG1 3.46Å; A86-T89 HydrophobicContact CB-CG2 3.77Å; A86-T89 PolarHBondContact O-N 3.36Å; A86-T89 VanDerWaalsContact O-N 3.08Å; A86-T89 PolarHBondContact O-OG1 3.31Å; Q87-T89 VanDerWaalsContact C-N 3.29Å; Q87-T89 PolarHBondContact O-N 3.16Å; T89-L93 WeakPolarHBondContact O-CG 3.37Å
90F98.7Very high97.2Very high22 Ų2234.6 Ų34.610%0.09619%0.185CC..Hα-helixtrans-75.9-43.8172.2175.2-98000111.1Y82 Q87 S88 D92 L93 V126 Q130 L134Y82-F90 AromaticContact CD1-CD2 3.81Å; Y82-F90 HydrophobicContact CD1-CD2 3.81Å; Y82-F90 HydrophobicContact CD2-CB 3.9Å; Y82-F90 AromaticContact CD2-CD2 3.88Å; Y82-F90 HydrophobicContact CD2-CD2 3.88Å; Y82-F90 HydrophobicContact CD2-CG 4.37Å; Y82-F90 AromaticContact CE1-CD2 3.75Å; Y82-F90 HydrophobicContact CE1-CD2 3.75Å; Y82-F90 HydrophobicContact CE1-CE2 4.14Å; Y82-F90 AromaticContact CE2-CD2 3.85Å; Y82-F90 HydrophobicContact CE2-CD2 3.85Å; Y82-F90 HydrophobicContact CG-CB 4.06Å; Y82-F90 AromaticContact CG-CD2 3.87Å; Y82-F90 HydrophobicContact CG-CD2 3.87Å; Y82-F90 HydrophobicContact CG-CG 4.48Å; Y82-F90 AromaticContact CZ-CD2 3.78Å; Q87-F90 VanDerWaalsContact NE2-CD1 3.33Å; Q87-F90 WeakPolarHBondContact O-CB 3.45Å; Q87-F90 PolarHBondContact O-N 2.84Å; S88-F90 PolarHBondContact O-N 3.33Å; F90-D92 VanDerWaalsContact C-N 3.32Å; F90-D92 PolarHBondContact O-N 3.43Å; F90-L93 PolarHBondContact O-N 2.87Å; F90-V126 HydrophobicContact CB-CG1 4.39Å; F90-V126 HydrophobicContact CB-CG2 4.16Å; F90-V126 HydrophobicContact CD2-CG1 3.96Å; F90-V126 HydrophobicContact CE2-CG1 4.33Å; F90-V126 HydrophobicContact CG-CG1 4.06Å; F90-Q130 HydrophobicContact CZ-CB 4.2Å; F90-L134 HydrophobicContact CD2-CD2 4.3Å; F90-L134 HydrophobicContact CE1-CD2 4.09Å; F90-L134 HydrophobicContact CE2-CB 4.25Å; F90-L134 HydrophobicContact CE2-CD2 3.52Å; F90-L134 HydrophobicContact CZ-CB 3.79Å; F90-L134 HydrophobicContact CZ-CD2 3.43Å; F90-L134 VanDerWaalsContact CZ-CD2 3.43Å; F90-L134 HydrophobicContact CZ-CG 4.19Å
91N97.5Very high97.1Very high94 Ų9435.3 Ų35.350%0.50319%0.189SC..Hα-helixtrans-63.9-38.5-179.4-60.4-13.2000111.7Q87 S88 L93 Q94Q87-N91 PolarHBondContact NE2-OD1 2.82Å; Q87-N91 VanDerWaalsContact O-CG 3.29Å; Q87-N91 PolarHBondContact O-N 3.04Å; Q87-N91 VanDerWaalsContact O-N 3.16Å; Q87-N91 PolarHBondContact O-OD1 3.05Å; S88-N91 WeakPolarHBondContact O-CB 3.25Å; S88-N91 PolarHBondContact O-N 3.09Å; N91-L93 PolarHBondContact O-N 2.73Å; N91-L93 VanDerWaalsContact O-N 3.1Å; N91-Q94 PolarHBondContact O-N 3.39Å
92D95.5Very high97Very high65 Ų6543.6 Ų43.635%0.34822%0.22SC..THydrogen-bonded Turntrans-60.4-20.2179.4-64.4-15.2000113.4S11 S88 F90 Q94S11-D92 PolarHBondContact OG-OD2 2.97Å; S88-D92 VanDerWaalsContact O-CG 3.22Å; S88-D92 PolarHBondContact O-N 3.34Å; F90-D92 VanDerWaalsContact C-N 3.32Å; F90-D92 PolarHBondContact O-N 3.43Å; D92-Q94 VanDerWaalsContact C-N 3.32Å; D92-Q94 PolarHBondContact O-N 3.41Å
93L97Very high96.9Very high0 Ų045.3 Ų45.30%023%0.231CC..Hα-helixtrans-72.6-22.3-175-60.3-174.1000114L80 Y82 T89 F90 N91 L96 R97 L113 W138L80-L93 HydrophobicContact CB-CD1 4.25Å; L80-L93 HydrophobicContact CB-CD2 4.2Å; Y82-L93 HydrophobicContact CD1-CD1 3.72Å; Y82-L93 HydrophobicContact CG-CD1 4.2Å; T89-L93 WeakPolarHBondContact O-CG 3.37Å; F90-L93 PolarHBondContact O-N 2.87Å; N91-L93 PolarHBondContact O-N 2.73Å; N91-L93 VanDerWaalsContact O-N 3.1Å; L93-L96 HydrophobicContact CD2-CD1 3.84Å; L93-L96 PolarHBondContact O-N 3.18Å; L93-R97 WeakPolarHBondContact O-CB 3.16Å; L93-R97 PolarHBondContact O-N 3.38Å; L93-L113 HydrophobicContact CD1-CD1 3.27Å; L93-W138 HydrophobicContact CB-CH2 3.79Å; L93-W138 HydrophobicContact CB-CZ2 4.44Å
94Q96.3Very high96.7Very high61 Ų6147.9 Ų47.929%0.28524%0.241SC..Hα-helixtrans-62.3-50.5177179.865.217.400110.7N91 D92 L96 R97 E98N91-Q94 PolarHBondContact O-N 3.39Å; D92-Q94 VanDerWaalsContact C-N 3.32Å; D92-Q94 PolarHBondContact O-N 3.41Å; Q94-L96 VanDerWaalsContact C-N 3.27Å; Q94-L96 PolarHBondContact O-N 2.91Å; Q94-R97 PolarHBondContact O-N 3.27Å; Q94-E98 PolarHBondContact NE2-OE1 3.14Å; Q94-E98 WeakPolarHBondContact O-CG 3.04Å; Q94-E98 PolarHBondContact O-N 3.41Å
95D93.9Very high96.6Very high114 Ų11455 Ų5561%0.6128%0.28SS*.Hα-helixtrans-61.7-38.4179.4-66.9-7.7000111.4E98 Q99D95-E98 PolarHBondContact O-N 2.89Å; D95-Q99 WeakPolarHBondContact O-CB 3.09Å; D95-Q99 PolarHBondContact O-N 2.98Å
96L94.2Very high96.4Very high4 Ų456.6 Ų56.62%0.02129%0.289CS..Hα-helixtrans-65.3-44176.2-71.3166.9000112.4T61 M72 L80 L93 Q94 Q99 I100T61-L96 HydrophobicContact CG2-CD1 3.54Å; T61-L96 HydrophobicContact CG2-CD2 3.41Å; T61-L96 VanDerWaalsContact CG2-CD2 3.41Å; T61-L96 HydrophobicContact CG2-CG 4.06Å; M72-L96 HydrophobicContact CE-CD2 4.41Å; L80-L96 HydrophobicContact CD2-CB 4.44Å; L93-L96 HydrophobicContact CD2-CD1 3.84Å; L93-L96 PolarHBondContact O-N 3.18Å; Q94-L96 VanDerWaalsContact C-N 3.27Å; Q94-L96 PolarHBondContact O-N 2.91Å; L96-Q99 PolarHBondContact O-N 3.41Å; L96-I100 WeakPolarHBondContact O-CD1 3.4Å; L96-I100 VanDerWaalsContact O-CG1 3.27Å; L96-I100 WeakPolarHBondContact O-CG1 3.4Å; L96-I100 PolarHBondContact O-N 3.36Å
97R96.4Very high96.2Very high32 Ų3261.1 Ų61.112%0.12131%0.305CS..Hα-helixtrans-58.7-51174.7172.8178.5175.3-85.2-5.3110L80 L93 Q94 Q99 I100 L101 E107 M111 W138L80-R97 HydrophobicContact CD2-CB 3.98Å; L93-R97 WeakPolarHBondContact O-CB 3.16Å; L93-R97 PolarHBondContact O-N 3.38Å; Q94-R97 PolarHBondContact O-N 3.27Å; R97-Q99 VanDerWaalsContact C-N 3.28Å; R97-Q99 PolarHBondContact O-N 3.19Å; R97-I100 WeakPolarHBondContact O-CB 3.19Å; R97-I100 PolarHBondContact O-N 2.98Å; R97-I100 VanDerWaalsContact O-N 3.09Å; R97-L101 HydrophobicContact CG-CD1 3.99Å; R97-L101 HydrophobicContact CG-CG 4.28Å; R97-L101 VanDerWaalsContact CZ-CD1 3.49Å; R97-L101 WeakPolarHBondContact O-CG 3.2Å; R97-L101 PolarHBondContact O-N 3.33Å; R97-E107 IonicContact NH2-OE2 3.66Å; R97-M111 HydrophobicContact CB-SD 4.5Å; R97-M111 HydrophobicContact CG-CE 4.22Å; R97-M111 HydrophobicContact CG-SD 4.12Å; R97-W138 HydrophobicContact CB-CH2 4.25Å; R97-W138 HydrophobicContact CB-CZ2 4.14Å; R97-W138 VanDerWaalsContact NE-CG 3.31Å
98E95.7Very high96Very high97 Ų9763.1 Ų63.145%0.45332%0.318SS..Hα-helixtrans-59-40.4-179.3-71.1178.8-17200111.9Q94 D95 L101 R102Q94-E98 PolarHBondContact NE2-OE1 3.14Å; Q94-E98 WeakPolarHBondContact O-CG 3.04Å; Q94-E98 PolarHBondContact O-N 3.41Å; D95-E98 PolarHBondContact O-N 2.89Å; E98-L101 PolarHBondContact O-N 3.06Å; E98-R102 WeakPolarHBondContact O-CB 2.84Å; E98-R102 PolarHBondContact O-N 2.52Å
99Q94.4Very high96Very high29 Ų2960.4 Ų60.414%0.13630%0.299CS..Hα-helixtrans-62.4-44.3174.3-169.8177.90.100112D69 M72 D95 L96 R97 R102 V103D69-Q99 PolarHBondContact OD1-NE2 3.29Å; M72-Q99 HydrophobicContact CE-CB 4.22Å; M72-Q99 HydrophobicContact CE-CG 4.03Å; M72-Q99 HydrophobicContact SD-CB 4.15Å; M72-Q99 HydrophobicContact SD-CG 3.62Å; D95-Q99 WeakPolarHBondContact O-CB 3.09Å; D95-Q99 PolarHBondContact O-N 2.98Å; L96-Q99 PolarHBondContact O-N 3.41Å; R97-Q99 VanDerWaalsContact C-N 3.28Å; R97-Q99 PolarHBondContact O-N 3.19Å; Q99-R102 PolarHBondContact O-N 2.9Å; Q99-V103 HydrophobicContact CG-CG2 4.41Å; Q99-V103 VanDerWaalsContact O-CG2 3.3Å; Q99-V103 WeakPolarHBondContact O-CG2 3.49Å; Q99-V103 PolarHBondContact O-N 3.32Å
100I96.1Very high96Very high0 Ų060.6 Ų60.60%030%0.3CS..Hα-helixtrans-59.9-48.9177.6-68.8162000110.4L9 M72 F78 L80 L96 R97 R102 V103 K104 V109 M111L9-I100 HydrophobicContact CD1-CD1 3.76Å; L9-I100 HydrophobicContact CD1-CG1 4.3Å; M72-I100 HydrophobicContact CE-CG1 3.83Å; M72-I100 HydrophobicContact CG-CG1 3.97Å; M72-I100 HydrophobicContact SD-CG1 3.8Å; F78-I100 HydrophobicContact CB-CD1 4.11Å; F78-I100 HydrophobicContact CD1-CD1 4.05Å; F78-I100 HydrophobicContact CD1-CG1 4.35Å; F78-I100 HydrophobicContact CD2-CG2 3.9Å; F78-I100 HydrophobicContact CE2-CG2 3.95Å; F78-I100 HydrophobicContact CG-CD1 4.04Å; F78-I100 HydrophobicContact CG-CG2 4.2Å; F78-I100 HydrophobicContact CZ-CG2 4.32Å; L80-I100 HydrophobicContact CD1-CD1 3.72Å; L80-I100 HydrophobicContact CD2-CD1 4.4Å; L80-I100 HydrophobicContact CG-CD1 4.4Å; L96-I100 WeakPolarHBondContact O-CD1 3.4Å; L96-I100 VanDerWaalsContact O-CG1 3.27Å; L96-I100 WeakPolarHBondContact O-CG1 3.4Å; L96-I100 PolarHBondContact O-N 3.36Å; R97-I100 WeakPolarHBondContact O-CB 3.19Å; R97-I100 PolarHBondContact O-N 2.98Å; R97-I100 VanDerWaalsContact O-N 3.09Å; I100-R102 VanDerWaalsContact C-N 3.32Å; I100-R102 PolarHBondContact O-N 2.8Å; I100-V103 PolarHBondContact O-N 3.47Å; I100-K104 HydrophobicContact CG2-CG 4.18Å; I100-K104 VanDerWaalsContact O-CB 3.28Å; I100-K104 WeakPolarHBondContact O-CB 3.48Å; I100-K104 VanDerWaalsContact O-CG 3.28Å; I100-K104 WeakPolarHBondContact O-CG 3.18Å; I100-K104 PolarHBondContact O-N 3.38Å; I100-V109 HydrophobicContact CG2-CG1 3.96Å; I100-M111 HydrophobicContact CB-CE 4.2Å; I100-M111 HydrophobicContact CD1-CE 3.86Å; I100-M111 HydrophobicContact CG2-CE 3.89Å
101L97.4Very high96Very high16 Ų1660 Ų608%0.08430%0.297CS..Hα-helixtrans-62.2-41.5-178.9-61.4178.3000111.5R97 E98 K104 D105 T106 E107 V109R97-L101 HydrophobicContact CG-CD1 3.99Å; R97-L101 HydrophobicContact CG-CG 4.28Å; R97-L101 VanDerWaalsContact CZ-CD1 3.49Å; R97-L101 WeakPolarHBondContact O-CG 3.2Å; R97-L101 PolarHBondContact O-N 3.33Å; E98-L101 PolarHBondContact O-N 3.06Å; L101-K104 PolarHBondContact O-N 3.15Å; L101-D105 WeakPolarHBondContact O-CA 3.35Å; L101-D105 PolarHBondContact O-N 2.88Å; L101-T106 WeakPolarHBondContact CD2-O 3.37Å; L101-T106 PolarHBondContact O-N 3.1Å; L101-E107 WeakPolarHBondContact CD1-OE2 3.22Å; L101-V109 HydrophobicContact CD2-CB 4.19Å; L101-V109 HydrophobicContact CD2-CG2 3.75Å
102R96.5Very high96Very high174 Ų17455.5 Ų55.566%0.65727%0.273SS*.Hα-helixtrans-62.3-45.3175-175.1-17868.8-152.82.5112.5E98 Q99 I100 K104 D105E98-R102 WeakPolarHBondContact O-CB 2.84Å; E98-R102 PolarHBondContact O-N 2.52Å; Q99-R102 PolarHBondContact O-N 2.9Å; I100-R102 VanDerWaalsContact C-N 3.32Å; I100-R102 PolarHBondContact O-N 2.8Å; R102-K104 VanDerWaalsContact C-N 3.32Å; R102-D105 PolarHBondContact O-N 3.39Å
103V96Very high96.2Very high36 Ų3652.4 Ų52.422%0.21826%0.257CS..Hα-helixtrans-69.7-32.4179.4172.90000111.4D69 M72 K73 Q99 I100D69-V103 HydrophobicContact CB-CG2 4.2Å; D69-V103 WeakPolarHBondContact OD1-CG2 3.34Å; M72-V103 HydrophobicContact CB-CB 4.06Å; M72-V103 HydrophobicContact CB-CG1 3.75Å; M72-V103 HydrophobicContact CB-CG2 4.37Å; M72-V103 HydrophobicContact SD-CG2 4.35Å; K73-V103 HydrophobicContact CB-CG1 3.95Å; Q99-V103 HydrophobicContact CG-CG2 4.41Å; Q99-V103 VanDerWaalsContact O-CG2 3.3Å; Q99-V103 WeakPolarHBondContact O-CG2 3.49Å; Q99-V103 PolarHBondContact O-N 3.32Å; I100-V103 PolarHBondContact O-N 3.47Å
104K95.7Very high96.3Very high56 Ų5652.4 Ų52.424%0.24326%0.257CS..Hα-helixtrans-80.8-19.5177.2-72.5-54.1-162.2-170.50114.3M72 K73 G75 I100 L101 R102 T106 V109M72-K104 WeakPolarHBondContact O-CE 3.41Å; M72-K104 PolarHBondContact O-NZ 2.9Å; K73-K104 PolarHBondContact O-NZ 3.47Å; G75-K104 WeakPolarHBondContact O-CE 3.36Å; G75-K104 PolarHBondContact O-NZ 2.84Å; I100-K104 HydrophobicContact CG2-CG 4.18Å; I100-K104 VanDerWaalsContact O-CB 3.28Å; I100-K104 WeakPolarHBondContact O-CB 3.48Å; I100-K104 VanDerWaalsContact O-CG 3.28Å; I100-K104 WeakPolarHBondContact O-CG 3.18Å; I100-K104 PolarHBondContact O-N 3.38Å; L101-K104 PolarHBondContact O-N 3.15Å; R102-K104 VanDerWaalsContact C-N 3.32Å; K104-T106 HydrophobicContact CB-CG2 3.97Å; K104-T106 PolarHBondContact O-N 3.3Å; K104-V109 HydrophobicContact CB-CG2 3.71Å; K104-V109 HydrophobicContact CG-CG1 4.24Å; K104-V109 HydrophobicContact CG-CG2 3.81Å
105D96.5Very high96.4Very high151 Ų15149.5 Ų49.581%0.80724%0.243SC*.THydrogen-bonded Turntrans54.240.6-175.6-16333.1000112.2L101 R102L101-D105 WeakPolarHBondContact O-CA 3.35Å; L101-D105 PolarHBondContact O-N 2.88Å; R102-D105 PolarHBondContact O-N 3.39Å
106T95.3Very high96.7Very high66 Ų6644.2 Ų44.241%0.40522%0.215SC..  trans-161.1143.5176.4178.40000111.2L101 K104 D108 V109L101-T106 WeakPolarHBondContact CD2-O 3.37Å; L101-T106 PolarHBondContact O-N 3.1Å; K104-T106 HydrophobicContact CB-CG2 3.97Å; K104-T106 PolarHBondContact O-N 3.3Å; T106-D108 VanDerWaalsContact C-N 3.3Å; T106-D108 WeakPolarHBondContact CG2-O 3.44Å; T106-D108 PolarHBondContact OG1-N 3.28Å; T106-V109 HydrophobicContact CG2-CG2 3.79Å; T106-V109 WeakPolarHBondContact O-CG2 3.48Å
107E93.1Very high96.9Very high125 Ų12546.7 Ų46.758%0.58423%0.226SC*.SBendtrans-76.6-19.2173.1-71.6-60.1138.800113R97 L101R97-E107 IonicContact NH2-OE2 3.66Å; L101-E107 WeakPolarHBondContact CD1-OE2 3.22Å
108D93.8Very high97Very high101 Ų10146.1 Ų46.154%0.5423%0.226SC..  trans-98.996.4-179.4-172.214.2000107T106 K168T106-D108 VanDerWaalsContact C-N 3.3Å; T106-D108 WeakPolarHBondContact CG2-O 3.44Å; T106-D108 PolarHBondContact OG1-N 3.28Å; D108-K168 PolarHBondContact O-NZ 2.86Å; D108-K168 IonicContact OD1-NZ 2.69Å; D108-K168 PolarHBondContact OD1-NZ 2.98Å; D108-K168 WeakPolarHBondContact OD2-CE 3.17Å; D108-K168 IonicContact OD2-NZ 2.78Å; D108-K168 PolarHBondContact OD2-NZ 3.32Å
109V97.3Very high97.1Very high15 Ų1543.9 Ų43.99%0.09122%0.217CC..  trans-129.9129.6177.8178.90000109.1F78 I100 L101 K104 T106 M111F78-V109 HydrophobicContact CD2-CG1 3.53Å; F78-V109 HydrophobicContact CE2-CG1 3.63Å; I100-V109 HydrophobicContact CG2-CG1 3.96Å; L101-V109 HydrophobicContact CD2-CB 4.19Å; L101-V109 HydrophobicContact CD2-CG2 3.75Å; K104-V109 HydrophobicContact CB-CG2 3.71Å; K104-V109 HydrophobicContact CG-CG1 4.24Å; K104-V109 HydrophobicContact CG-CG2 3.81Å; T106-V109 HydrophobicContact CG2-CG2 3.79Å; T106-V109 WeakPolarHBondContact O-CG2 3.48Å; V109-M111 WeakPolarHBondContact O-CB 3.4Å; V109-M111 PolarHBondContact O-N 2.83Å
110P98.4Very high97.3Very high14 Ų1444.6 Ų44.69%0.09122%0.222CC..  trans-56115.3174.1-2737000111.7Q76 G77 F78 Q164 I165 K168Q76-P110 WeakPolarHBondContact O-CB 3.42Å; Q76-P110 WeakPolarHBondContact O-CG 3.36Å; G77-P110 WeakPolarHBondContact CA-O 3.31Å; F78-P110 PolarHBondContact N-O 2.65Å; P110-Q164 VanDerWaalsContact CA-OE1 3.29Å; P110-Q164 HydrophobicContact CB-CB 3.85Å; P110-Q164 HydrophobicContact CG-CB 4.49Å; P110-I165 HydrophobicContact CB-CG1 3.84Å; P110-I165 HydrophobicContact CG-CG1 3.82Å; P110-K168 HydrophobicContact CG-CD 3.57Å
111M98.7Very high97.4Very high10 Ų1049.6 Ų49.65%0.04925%0.245CC..EExtended strand (participates in β ladder)trans-149.6143.6-169.5-170176.8-69.500110.7F78 L80 R97 I100 V109 W138 C141 Q164F78-M111 VanDerWaalsContact O-CA 3.31Å; F78-M111 WeakPolarHBondContact O-CA 3.48Å; L80-M111 HydrophobicContact CD1-CE 4.09Å; L80-M111 HydrophobicContact CD1-CG 3.81Å; L80-M111 HydrophobicContact CD1-SD 3.92Å; L80-M111 HydrophobicContact CD2-CE 4.45Å; L80-M111 HydrophobicContact CD2-SD 3.92Å; R97-M111 HydrophobicContact CB-SD 4.5Å; R97-M111 HydrophobicContact CG-CE 4.22Å; R97-M111 HydrophobicContact CG-SD 4.12Å; I100-M111 HydrophobicContact CB-CE 4.2Å; I100-M111 HydrophobicContact CD1-CE 3.86Å; I100-M111 HydrophobicContact CG2-CE 3.89Å; V109-M111 WeakPolarHBondContact O-CB 3.4Å; V109-M111 PolarHBondContact O-N 2.83Å; M111-W138 HydrophobicContact SD-CE3 4.49Å; M111-C141 PolarHBondContact O-SG 3.08Å; M111-C141 VanDerWaalsContact O-SG 3.39Å; M111-Q164 PolarHBondContact O-NE2 3.42Å; M111-Q164 PolarHBondContact O-OE1 2.95Å
112I98.8Very high97.4Very high0 Ų057 Ų570%029%0.285CS..EExtended strand (participates in β ladder)trans-134.1131170.8-176.1161.5000110F78 A79 L80 V114 A142 L144 I157 D160 L161F78-I112 PolarHBondContact O-N 2.93Å; A79-I112 HydrophobicContact CB-CG2 3.99Å; L80-I112 PolarHBondContact N-O 2.79Å; I112-V114 HydrophobicContact CG1-CG2 4.12Å; I112-V114 HydrophobicContact CG2-CG2 4.09Å; I112-A142 HydrophobicContact CB-CB 4.16Å; I112-A142 HydrophobicContact CD1-CB 4.11Å; I112-A142 HydrophobicContact CG1-CB 3.92Å; I112-L144 HydrophobicContact CD1-CB 4.43Å; I112-L144 HydrophobicContact CD1-CD1 3.8Å; I112-L144 HydrophobicContact CD1-CG 3.98Å; I112-I157 HydrophobicContact CG2-CG2 4Å; I112-D160 HydrophobicContact CD1-CB 4.24Å; I112-L161 HydrophobicContact CB-CD2 4.37Å; I112-L161 HydrophobicContact CG2-CD1 4.01Å; I112-L161 HydrophobicContact CG2-CD2 3.86Å; I112-L161 HydrophobicContact CG2-CG 3.8Å
113L98.9Very high97.5Very high0 Ų054.2 Ų54.20%028%0.279CS..EExtended strand (participates in β ladder)trans-85.5127170.2177.762.7000109.4Y82 L93 G131 L134 A135 W138 A142 F143 L144Y82-L113 HydrophobicContact CD1-CD1 3.85Å; Y82-L113 HydrophobicContact CE1-CD1 3.93Å; Y82-L113 HydrophobicContact CE1-CG 4.12Å; L93-L113 HydrophobicContact CD1-CD1 3.27Å; L113-G131 WeakPolarHBondContact CD2-O 3.5Å; L113-L134 HydrophobicContact CD2-CB 4.13Å; L113-L134 HydrophobicContact CD2-CD2 3.98Å; L113-L134 HydrophobicContact CD2-CG 4.22Å; L113-A135 HydrophobicContact CD2-CB 4.18Å; L113-W138 HydrophobicContact CB-CZ3 4.18Å; L113-W138 HydrophobicContact CD1-CH2 4.17Å; L113-W138 HydrophobicContact CD1-CZ3 3.86Å; L113-W138 HydrophobicContact CD2-CZ3 4.33Å; L113-W138 HydrophobicContact CG-CZ3 4.34Å; L113-A142 PolarHBondContact N-O 2.86Å; L113-F143 HydrophobicContact CB-CD2 4.18Å; L113-F143 HydrophobicContact CD2-CD2 3.94Å; L113-F143 HydrophobicContact CD2-CE2 4.49Å; L113-F143 HydrophobicContact CG-CD2 3.89Å; L113-F143 HydrophobicContact CG-CE2 4.45Å; L113-F143 WeakPolarHBondContact O-CA 3.41Å; L113-F143 WeakPolarHBondContact O-CD2 3.33Å; L113-L144 PolarHBondContact O-N 3.47Å; L113-L144 VanDerWaalsContact O-N 3.09Å
114V98.9Very high97.7Very high0 Ų055 Ų550%028%0.278CS..EExtended strand (participates in β ladder)trans-123.7112-173.2-176.20000111L19 A79 L80 V81 Y82 I112 N116 L144 S146 I157L19-V114 HydrophobicContact CD1-CG1 4.14Å; A79-V114 HydrophobicContact CB-CG2 4.48Å; L80-V114 PolarHBondContact O-N 3.26Å; V81-V114 WeakPolarHBondContact CA-O 3.4Å; V81-V114 HydrophobicContact CG1-CB 4.45Å; V81-V114 HydrophobicContact CG1-CG1 4.37Å; V81-V114 HydrophobicContact CG2-CB 4.18Å; Y82-V114 VanDerWaalsContact CD1-O 3.24Å; Y82-V114 WeakPolarHBondContact CD1-O 3.49Å; Y82-V114 PolarHBondContact N-O 3.03Å; I112-V114 HydrophobicContact CG1-CG2 4.12Å; I112-V114 HydrophobicContact CG2-CG2 4.09Å; V114-N116 PolarHBondContact O-N 3.04Å; V114-L144 WeakPolarHBondContact CA-O 3.36Å; V114-S146 WeakPolarHBondContact CG1-OG 3.29Å; V114-I157 HydrophobicContact CG1-CD1 3.6Å; V114-I157 HydrophobicContact CG1-CG1 4.27Å; V114-I157 HydrophobicContact CG2-CD1 4.06Å; V114-I157 HydrophobicContact CG2-CG1 3.93Å; V114-I157 HydrophobicContact CG2-CG2 4.02Å
115G98.9Very high97.8Very high0 Ų056 Ų560%029%0.289CS..EExtended strand (participates in β ladder)trans-86.693.9168.600000111L144 E145 S146G115-L144 PolarHBondContact N-O 2.87Å; G115-E145 CarbonylContact O-C 3.55Å; G115-E145 WeakPolarHBondContact O-CA 3.36Å; G115-S146 PolarHBondContact O-N 3.46Å
116N98.9Very high97.9Very high2 Ų248.9 Ų48.91%0.01125%0.251CS..EExtended strand (participates in β ladder)trans-85.1165.2-176.8-170.133.8000112.8V14 L19 V81 Y82 I84 V114 S146 A148V14-N116 PolarHBondContact O-ND2 3.33Å; L19-N116 HydrophobicContact CD1-CB 4.2Å; V81-N116 HydrophobicContact CG1-CB 3.75Å; Y82-N116 PolarHBondContact O-N 3.38Å; I84-N116 PolarHBondContact N-O 2.97Å; V114-N116 PolarHBondContact O-N 3.04Å; N116-S146 CarbonylContact C-O 3.6Å; N116-S146 VanDerWaalsContact CA-O 3.31Å; N116-S146 WeakPolarHBondContact CA-O 3.42Å; N116-S146 PolarHBondContact OD1-O 3.32Å; N116-S146 PolarHBondContact OD1-OG 3.21Å; N116-A148 PolarHBondContact OD1-N 3.36Å
117K98.6Very high98.1Very high57 Ų5747.1 Ų47.125%0.24825%0.246CC..  trans67.835.2-177.2-45.9-169.5-163165.80113.7G13 S83 I84 D119 L120 S146G13-K117 VanDerWaalsContact O-CE 3.29Å; G13-K117 WeakPolarHBondContact O-CE 3.28Å; G13-K117 PolarHBondContact O-NZ 3.37Å; S83-K117 WeakPolarHBondContact OG-CD 3.33Å; S83-K117 WeakPolarHBondContact OG-CE 3.26Å; S83-K117 PolarHBondContact OG-NZ 2.64Å; I84-K117 WeakPolarHBondContact CD1-O 3.39Å; I84-K117 WeakPolarHBondContact CG1-O 3.46Å; K117-D119 WeakPolarHBondContact CA-OD1 3.3Å; K117-D119 PolarHBondContact O-N 2.82Å; K117-L120 HydrophobicContact CB-CD1 4.04Å; K117-L120 HydrophobicContact CB-CG 4.32Å; K117-L120 HydrophobicContact CD-CD1 4.02Å; K117-L120 WeakPolarHBondContact O-CB 3.31Å; K117-L120 PolarHBondContact O-N 2.86Å; K117-S146 PolarHBondContact N-O 2.82Å
118C98.7Very high98.3Very high20 Ų2046.1 Ų46.114%0.13524%0.24CC..THydrogen-bonded Turntrans-65.9-4.6176.675.80000114.4I84 L120 E145 S146I84-C118 HydrophobicContact CD1-CB 4.44Å; C118-L120 VanDerWaalsContact C-N 3.28Å; C118-E145 HydrophobicContact CB-CB 4.08Å; C118-S146 PolarHBondContact N-O 2.94Å; C118-S146 PolarHBondContact SG-O 3.41Å; C118-S146 VanDerWaalsContact SG-O 3.34Å
119D98.5Very high98.5Very high49 Ų4948 Ų4826%0.26225%0.246SC..THydrogen-bonded Turntrans-73.6-17.9166.956.9-69.8000113.5K117 E121 S147 K149 S150K117-D119 WeakPolarHBondContact CA-OD1 3.3Å; K117-D119 PolarHBondContact O-N 2.82Å; D119-E121 VanDerWaalsContact C-N 3.35Å; D119-E121 PolarHBondContact O-N 3.09Å; D119-S147 VanDerWaalsContact OD1-CB 3.24Å; D119-S147 WeakPolarHBondContact OD1-CB 3.2Å; D119-S147 PolarHBondContact OD1-OG 2.73Å; D119-K149 WeakPolarHBondContact OD2-CD 3.29Å; D119-S150 WeakPolarHBondContact CB-OG 3.43Å
120L98.2Very high98.6Very high45 Ų4551.2 Ų51.224%0.23626%0.259CS..  trans-96.452.6178.9-56179.9000111.3T85 K117 C118 D122 E123 R124T85-L120 HydrophobicContact CG2-CB 3.74Å; T85-L120 HydrophobicContact CG2-CD1 3.99Å; K117-L120 HydrophobicContact CB-CD1 4.04Å; K117-L120 HydrophobicContact CB-CG 4.32Å; K117-L120 HydrophobicContact CD-CD1 4.02Å; K117-L120 WeakPolarHBondContact O-CB 3.31Å; K117-L120 PolarHBondContact O-N 2.86Å; C118-L120 VanDerWaalsContact C-N 3.28Å; L120-D122 VanDerWaalsContact C-N 3.3Å; L120-D122 PolarHBondContact O-N 2.91Å; L120-E123 HydrophobicContact CB-CB 4.24Å; L120-E123 PolarHBondContact O-N 3.1Å; L120-R124 PolarHBondContact O-N 3.45Å
121E98.2Very high98.6Very high104 Ų10450.6 Ų50.649%0.48626%0.255SS..G310 helixtrans-60.9-37.5-174.4-167.862.6-15400112.6D119 E123 R124D119-E121 VanDerWaalsContact C-N 3.35Å; D119-E121 PolarHBondContact O-N 3.09Å; E121-E123 PolarHBondContact O-N 3.27Å; E121-R124 WeakPolarHBondContact O-CB 3.46Å; E121-R124 PolarHBondContact O-N 3.02Å; E121-R124 VanDerWaalsContact O-N 3.08Å; E121-R124 WeakPolarHBondContact OE1-CD 3.49Å; E121-R124 IonicContact OE1-CZ 3.09Å; E121-R124 IonicContact OE1-NE 3.72Å; E121-R124 PolarHBondContact OE1-NE 3.06Å; E121-R124 IonicContact OE1-NH2 3.5Å; E121-R124 IonicContact OE2-CZ 3.04Å; E121-R124 VanDerWaalsContact OE2-CZ 3.27Å; E121-R124 IonicContact OE2-NE 3.27Å; E121-R124 PolarHBondContact OE2-NE 3.16Å; E121-R124 IonicContact OE2-NH2 2.82Å; E121-R124 PolarHBondContact OE2-NH2 2.97Å
122D98.4Very high98.6Very high172 Ų17253.3 Ų53.392%0.9227%0.268SS*.G310 helixtrans-66.8-18.3177.7-62.8-34.8000113.2L120L120-D122 VanDerWaalsContact C-N 3.3Å; L120-D122 PolarHBondContact O-N 2.91Å
123E98.6Very high98.6Very high116 Ų11656.8 Ų56.854%0.54229%0.286SS..G310 helixtrans-1025.1176.9-62.1178.4-139.300112.3T85 L120 E121 V125T85-E123 WeakPolarHBondContact CA-O 3.41Å; T85-E123 HydrophobicContact CG2-CB 3.63Å; L120-E123 HydrophobicContact CB-CB 4.24Å; L120-E123 PolarHBondContact O-N 3.1Å; E121-E123 PolarHBondContact O-N 3.27Å; E123-V125 PolarHBondContact O-N 3.42Å
124R98.7Very high98.6Very high51 Ų5157.7 Ų57.719%0.19229%0.291CS..  trans-63.6125.8-176.1-179-177.8-70.6-888.2110.9I84 L120 E121 V126 E145I84-R124 HydrophobicContact CD1-CB 4.07Å; I84-R124 HydrophobicContact CD1-CG 4.14Å; I84-R124 VanDerWaalsContact CD1-CZ 3.45Å; L120-R124 PolarHBondContact O-N 3.45Å; E121-R124 WeakPolarHBondContact O-CB 3.46Å; E121-R124 PolarHBondContact O-N 3.02Å; E121-R124 VanDerWaalsContact O-N 3.08Å; E121-R124 WeakPolarHBondContact OE1-CD 3.49Å; E121-R124 IonicContact OE1-CZ 3.09Å; E121-R124 IonicContact OE1-NE 3.72Å; E121-R124 PolarHBondContact OE1-NE 3.06Å; E121-R124 IonicContact OE1-NH2 3.5Å; E121-R124 IonicContact OE2-CZ 3.04Å; E121-R124 VanDerWaalsContact OE2-CZ 3.27Å; E121-R124 IonicContact OE2-NE 3.27Å; E121-R124 PolarHBondContact OE2-NE 3.16Å; E121-R124 IonicContact OE2-NH2 2.82Å; E121-R124 PolarHBondContact OE2-NH2 2.97Å; R124-V126 WeakPolarHBondContact CD-O 3.29Å; R124-V126 VanDerWaalsContact CG-O 3.29Å; R124-V126 WeakPolarHBondContact CG-O 3.39Å; R124-V126 PolarHBondContact NH1-O 3.22Å; R124-E145 IonicContact CZ-OE1 3.63Å; R124-E145 IonicContact CZ-OE2 3.4Å; R124-E145 IonicContact NH1-OE1 2.84Å; R124-E145 PolarHBondContact NH1-OE1 2.72Å; R124-E145 IonicContact NH1-OE2 2.7Å; R124-E145 IonicContact NH2-OE1 2.96Å; R124-E145 PolarHBondContact NH2-OE1 3.01Å; R124-E145 IonicContact NH2-OE2 3.48Å; R124-E145 PolarHBondContact NH2-OE2 2.98Å
125V98.7Very high98.5Very high79 Ų7957.9 Ų57.948%0.47929%0.293SS..  trans-116.5-21.2169.5-550000112I84 T85 Q87 E123I84-V125 PolarHBondContact O-N 3.25Å; T85-V125 VanDerWaalsContact C-CG2 3.44Å; Q87-V125 HydrophobicContact CB-CG2 4.16Å; E123-V125 PolarHBondContact O-N 3.42Å
126V98.7Very high98.5Very high0 Ų065.1 Ų65.10%032%0.32CS..SBendtrans-100.6107.5174.5-169.40000109.3Y82 I84 Q87 F90 R124 Q130Y82-V126 HydrophobicContact CD2-CB 4.49Å; Y82-V126 HydrophobicContact CD2-CG1 4.34Å; Y82-V126 HydrophobicContact CD2-CG2 4.36Å; Y82-V126 HydrophobicContact CE2-CB 3.9Å; Y82-V126 HydrophobicContact CE2-CG1 3.59Å; Y82-V126 HydrophobicContact CE2-CG2 4.25Å; I84-V126 PolarHBondContact O-N 2.59Å; Q87-V126 HydrophobicContact CB-CG2 4.43Å; F90-V126 HydrophobicContact CB-CG1 4.39Å; F90-V126 HydrophobicContact CB-CG2 4.16Å; F90-V126 HydrophobicContact CD2-CG1 3.96Å; F90-V126 HydrophobicContact CE2-CG1 4.33Å; F90-V126 HydrophobicContact CG-CG1 4.06Å; R124-V126 WeakPolarHBondContact CD-O 3.29Å; R124-V126 VanDerWaalsContact CG-O 3.29Å; R124-V126 WeakPolarHBondContact CG-O 3.39Å; R124-V126 PolarHBondContact NH1-O 3.22Å; V126-Q130 HydrophobicContact CG1-CB 4.27Å
127G98.5Very high98.4Very high29 Ų2972 Ų7230%0.29935%0.352SS..  trans-63.1144.1174.600000112.4E129 Q130G127-E129 PolarHBondContact O-N 3.43Å; G127-Q130 WeakPolarHBondContact O-CB 3.3Å; G127-Q130 PolarHBondContact O-N 2.95Å
128K98.5Very high98.3Very high105 Ų10569.8 Ų69.846%0.45734%0.342SS..Hα-helixtrans-56.4-37.1178.8-174.4171.9-177.9172.30112.9Q130 G131 Q132 F143 E145K128-Q130 VanDerWaalsContact C-N 3.26Å; K128-Q130 PolarHBondContact O-N 3.47Å; K128-G131 PolarHBondContact O-N 3.35Å; K128-Q132 WeakPolarHBondContact O-CG 3.48Å; K128-Q132 PolarHBondContact O-N 2.83Å; K128-F143 HydrophobicContact CG-CE1 3.99Å; K128-F143 HydrophobicContact CG-CZ 4.3Å; K128-E145 WeakPolarHBondContact CA-OE1 3.32Å; K128-E145 WeakPolarHBondContact CB-OE1 3.42Å; K128-E145 HydrophobicContact CG-CG 4.28Å
129E98.4Very high98Very high141 Ų14174.5 Ų74.566%0.65937%0.366SS*.Hα-helixtrans-62.5-32.4176.6-64.8-170.9166.600112.5G127 Q132 N133G127-E129 PolarHBondContact O-N 3.43Å; E129-Q132 PolarHBondContact O-N 3.37Å; E129-N133 VanDerWaalsContact O-CB 3.26Å; E129-N133 WeakPolarHBondContact O-CB 3.49Å; E129-N133 PolarHBondContact O-N 2.73Å; E129-N133 PolarHBondContact O-ND2 2.78Å; E129-N133 VanDerWaalsContact O-ND2 3.16Å
130Q98.5Very high97.8Very high82 Ų8278.3 Ų78.338%0.38339%0.387SS..Hα-helixtrans-64.5-45176.2-57.5-174.1120.700110.7F90 V126 G127 K128 N133 L134F90-Q130 HydrophobicContact CZ-CB 4.2Å; V126-Q130 HydrophobicContact CG1-CB 4.27Å; G127-Q130 WeakPolarHBondContact O-CB 3.3Å; G127-Q130 PolarHBondContact O-N 2.95Å; K128-Q130 VanDerWaalsContact C-N 3.26Å; K128-Q130 PolarHBondContact O-N 3.47Å; Q130-N133 PolarHBondContact O-N 3.14Å; Q130-L134 WeakPolarHBondContact O-CB 3.33Å; Q130-L134 PolarHBondContact O-N 3.29Å
131G98.7Very high97.7Very high0 Ų077.3 Ų77.30%038%0.383CS..Hα-helixtrans-61.2-44.8174.100000112.7L113 K128 N133 L134 A135L113-G131 WeakPolarHBondContact CD2-O 3.5Å; K128-G131 PolarHBondContact O-N 3.35Å; G131-N133 PolarHBondContact O-N 2.8Å; G131-L134 PolarHBondContact O-N 2.82Å; G131-A135 WeakPolarHBondContact O-CB 3.48Å; G131-A135 PolarHBondContact O-N 3.41Å
132Q98.5Very high97.7Very high68 Ų6873.6 Ų73.632%0.31837%0.37SS..Hα-helixtrans-61.9-42.4175.9-70174.8-20.500112.6K128 E129 A135 R136 F143K128-Q132 WeakPolarHBondContact O-CG 3.48Å; K128-Q132 PolarHBondContact O-N 2.83Å; E129-Q132 PolarHBondContact O-N 3.37Å; Q132-A135 PolarHBondContact O-N 3.28Å; Q132-R136 WeakPolarHBondContact O-CG 3.46Å; Q132-R136 PolarHBondContact O-N 2.64Å; Q132-F143 HydrophobicContact CB-CD1 4.41Å; Q132-F143 HydrophobicContact CG-CD1 3.49Å; Q132-F143 VanDerWaalsContact CG-CD1 3.49Å; Q132-F143 HydrophobicContact CG-CE1 3.5Å; Q132-F143 HydrophobicContact CG-CG 4.5Å
133N98.6Very high97.8Very high72 Ų7267 Ų6739%0.38533%0.333SS..Hα-helixtrans-67.9-41.8179.9-72.5-25000111.4E129 Q130 G131 R136 Q137E129-N133 VanDerWaalsContact O-CB 3.26Å; E129-N133 WeakPolarHBondContact O-CB 3.49Å; E129-N133 PolarHBondContact O-N 2.73Å; E129-N133 PolarHBondContact O-ND2 2.78Å; E129-N133 VanDerWaalsContact O-ND2 3.16Å; Q130-N133 PolarHBondContact O-N 3.14Å; G131-N133 PolarHBondContact O-N 2.8Å; N133-R136 PolarHBondContact O-N 3.06Å; N133-R136 PolarHBondContact OD1-NH1 3.17Å; N133-Q137 VanDerWaalsContact O-CG 3.31Å; N133-Q137 WeakPolarHBondContact O-CG 3.13Å; N133-Q137 PolarHBondContact O-N 3.29Å
134L98.4Very high97.8Very high19 Ų1963.8 Ų63.810%0.09932%0.32CS..Hα-helixtrans-61.9-44174.3-174.864.4000111.3F90 L113 Q130 G131 R136 Q137 W138F90-L134 HydrophobicContact CD2-CD2 4.3Å; F90-L134 HydrophobicContact CE1-CD2 4.09Å; F90-L134 HydrophobicContact CE2-CB 4.25Å; F90-L134 HydrophobicContact CE2-CD2 3.52Å; F90-L134 HydrophobicContact CZ-CB 3.79Å; F90-L134 HydrophobicContact CZ-CD2 3.43Å; F90-L134 VanDerWaalsContact CZ-CD2 3.43Å; F90-L134 HydrophobicContact CZ-CG 4.19Å; L113-L134 HydrophobicContact CD2-CB 4.13Å; L113-L134 HydrophobicContact CD2-CD2 3.98Å; L113-L134 HydrophobicContact CD2-CG 4.22Å; Q130-L134 WeakPolarHBondContact O-CB 3.33Å; Q130-L134 PolarHBondContact O-N 3.29Å; G131-L134 PolarHBondContact O-N 2.82Å; L134-R136 VanDerWaalsContact C-N 3.34Å; L134-R136 PolarHBondContact O-N 3.44Å; L134-Q137 WeakPolarHBondContact O-CB 3.39Å; L134-Q137 PolarHBondContact O-N 3.37Å; L134-Q137 VanDerWaalsContact O-N 3.14Å; L134-W138 HydrophobicContact CD1-CD2 4.38Å; L134-W138 HydrophobicContact CD1-CZ2 3.86Å; L134-W138 HydrophobicContact CD2-CH2 3.83Å; L134-W138 HydrophobicContact CD2-CZ2 3.57Å; L134-W138 HydrophobicContact CD2-CZ3 4.47Å; L134-W138 HydrophobicContact CG-CD2 4.04Å; L134-W138 HydrophobicContact CG-CH2 4.24Å; L134-W138 HydrophobicContact CG-CZ2 3.71Å; L134-W138 VanDerWaalsContact O-CG 3.3Å; L134-W138 PolarHBondContact O-N 3.33Å
135A98.4Very high97.8Very high4 Ų462.3 Ų62.33%0.03332%0.315CS..Hα-helixtrans-62.5-39.2177.300000113L113 G131 Q132 W138 N140 C141 F143L113-A135 HydrophobicContact CD2-CB 4.18Å; G131-A135 WeakPolarHBondContact O-CB 3.48Å; G131-A135 PolarHBondContact O-N 3.41Å; Q132-A135 PolarHBondContact O-N 3.28Å; A135-W138 CarbonylContact O-C 3.58Å; A135-W138 PolarHBondContact O-N 2.94Å; A135-N140 CarbonylContact O-C 3.55Å; A135-N140 WeakPolarHBondContact O-CA 3.17Å; A135-N140 PolarHBondContact O-N 3.11Å; A135-C141 HydrophobicContact CB-CB 4.42Å; A135-C141 WeakPolarHBondContact CB-O 3.39Å; A135-C141 PolarHBondContact O-N 2.82Å; A135-F143 HydrophobicContact CB-CB 3.63Å; A135-F143 HydrophobicContact CB-CG 4.42Å
136R98Very high97.8Very high152 Ų15258.5 Ų58.557%0.57429%0.292SS*.Hα-helixtrans-61.1-44.8171.5-73.6171.9-176.7164.2-0.5111.8Q132 N133 L134 W138 N139 N140Q132-R136 WeakPolarHBondContact O-CG 3.46Å; Q132-R136 PolarHBondContact O-N 2.64Å; N133-R136 PolarHBondContact O-N 3.06Å; N133-R136 PolarHBondContact OD1-NH1 3.17Å; L134-R136 VanDerWaalsContact C-N 3.34Å; L134-R136 PolarHBondContact O-N 3.44Å; R136-W138 PolarHBondContact O-N 3.48Å; R136-N139 PolarHBondContact O-N 2.93Å; R136-N140 PolarHBondContact O-N 3.29Å
137Q96.9Very high97.8Very high146 Ų14658.5 Ų58.568%0.68229%0.292SS*.Hα-helixtrans-62-33.6176.4-71.1170.53.200112N133 L134 N139N133-Q137 VanDerWaalsContact O-CG 3.31Å; N133-Q137 WeakPolarHBondContact O-CG 3.13Å; N133-Q137 PolarHBondContact O-N 3.29Å; L134-Q137 WeakPolarHBondContact O-CB 3.39Å; L134-Q137 PolarHBondContact O-N 3.37Å; L134-Q137 VanDerWaalsContact O-N 3.14Å; Q137-N139 PolarHBondContact O-N 2.86Å
138W96.7Very high97.8Very high11 Ų1157.3 Ų57.34%0.04228%0.279CS..THydrogen-bonded Turntrans-8045.7174.7-64.6-6.4000112.9L80 L93 R97 M111 L113 L134 A135 R136 N140 C141L80-W138 HydrophobicContact CD2-CH2 4.06Å; L80-W138 HydrophobicContact CD2-CZ3 4.03Å; L93-W138 HydrophobicContact CB-CH2 3.79Å; L93-W138 HydrophobicContact CB-CZ2 4.44Å; R97-W138 HydrophobicContact CB-CH2 4.25Å; R97-W138 HydrophobicContact CB-CZ2 4.14Å; R97-W138 VanDerWaalsContact NE-CG 3.31Å; M111-W138 HydrophobicContact SD-CE3 4.49Å; L113-W138 HydrophobicContact CB-CZ3 4.18Å; L113-W138 HydrophobicContact CD1-CH2 4.17Å; L113-W138 HydrophobicContact CD1-CZ3 3.86Å; L113-W138 HydrophobicContact CD2-CZ3 4.33Å; L113-W138 HydrophobicContact CG-CZ3 4.34Å; L134-W138 HydrophobicContact CD1-CD2 4.38Å; L134-W138 HydrophobicContact CD1-CZ2 3.86Å; L134-W138 HydrophobicContact CD2-CH2 3.83Å; L134-W138 HydrophobicContact CD2-CZ2 3.57Å; L134-W138 HydrophobicContact CD2-CZ3 4.47Å; L134-W138 HydrophobicContact CG-CD2 4.04Å; L134-W138 HydrophobicContact CG-CH2 4.24Å; L134-W138 HydrophobicContact CG-CZ2 3.71Å; L134-W138 VanDerWaalsContact O-CG 3.3Å; L134-W138 PolarHBondContact O-N 3.33Å; A135-W138 CarbonylContact O-C 3.58Å; A135-W138 PolarHBondContact O-N 2.94Å; R136-W138 PolarHBondContact O-N 3.48Å; W138-N140 PolarHBondContact O-N 3.17Å; W138-C141 HydrophobicContact CB-CB 3.78Å; W138-C141 WeakPolarHBondContact O-CB 3.24Å; W138-C141 PolarHBondContact O-N 3Å
139N93.2Very high97.8Very high120 Ų12057.4 Ų57.464%0.64228%0.279SS*.THydrogen-bonded Turntrans57.144.2177-155.130.4000113.6R136 Q137R136-N139 PolarHBondContact O-N 2.93Å; Q137-N139 PolarHBondContact O-N 2.86Å
140N93Very high97.8Very high129 Ų12953.9 Ų53.969%0.6927%0.27SS*.SBendtrans56.244.7-173.7-60.3-55.2000113.7A135 R136 W138A135-N140 CarbonylContact O-C 3.55Å; A135-N140 WeakPolarHBondContact O-CA 3.17Å; A135-N140 PolarHBondContact O-N 3.11Å; R136-N140 PolarHBondContact O-N 3.29Å; W138-N140 PolarHBondContact O-N 3.17Å
141C97.3Very high97.8Very high23 Ų2356 Ų5616%0.15528%0.278CS..  trans-54.4148.5169.9-176.10000110.8M111 A135 W138M111-C141 PolarHBondContact O-SG 3.08Å; M111-C141 VanDerWaalsContact O-SG 3.39Å; A135-C141 HydrophobicContact CB-CB 4.42Å; A135-C141 WeakPolarHBondContact CB-O 3.39Å; A135-C141 PolarHBondContact O-N 2.82Å; W138-C141 HydrophobicContact CB-CB 3.78Å; W138-C141 WeakPolarHBondContact O-CB 3.24Å; W138-C141 PolarHBondContact O-N 3Å
142A98.4Very high97.8Very high27 Ų2759.3 Ų59.322%0.22330%0.295CS..EExtended strand (participates in β ladder)trans-64.9143.6173.500000110.3I112 L113 D160I112-A142 HydrophobicContact CB-CB 4.16Å; I112-A142 HydrophobicContact CD1-CB 4.11Å; I112-A142 HydrophobicContact CG1-CB 3.92Å; L113-A142 PolarHBondContact N-O 2.86Å; A142-D160 WeakPolarHBondContact CB-OD1 3.48Å
143F98.8Very high97.8Very high34 Ų3458.6 Ų58.615%0.14929%0.293CS..EExtended strand (participates in β ladder)trans-137.2132177.3169.6-104.9000111.1Y82 L113 K128 Q132 A135 E145Y82-F143 HydrophobicContact CE1-CE2 4.3Å; L113-F143 HydrophobicContact CB-CD2 4.18Å; L113-F143 HydrophobicContact CD2-CD2 3.94Å; L113-F143 HydrophobicContact CD2-CE2 4.49Å; L113-F143 HydrophobicContact CG-CD2 3.89Å; L113-F143 HydrophobicContact CG-CE2 4.45Å; L113-F143 WeakPolarHBondContact O-CA 3.41Å; L113-F143 WeakPolarHBondContact O-CD2 3.33Å; K128-F143 HydrophobicContact CG-CE1 3.99Å; K128-F143 HydrophobicContact CG-CZ 4.3Å; Q132-F143 HydrophobicContact CB-CD1 4.41Å; Q132-F143 HydrophobicContact CG-CD1 3.49Å; Q132-F143 VanDerWaalsContact CG-CD1 3.49Å; Q132-F143 HydrophobicContact CG-CE1 3.5Å; Q132-F143 HydrophobicContact CG-CG 4.5Å; A135-F143 HydrophobicContact CB-CB 3.63Å; A135-F143 HydrophobicContact CB-CG 4.42Å; F143-E145 HydrophobicContact CE1-CG 4.2Å; F143-E145 HydrophobicContact CE2-CG 4.44Å; F143-E145 HydrophobicContact CZ-CG 3.64Å
144L98.7Very high97.8Very high48 Ų4855.4 Ų55.425%0.25128%0.277SS..EExtended strand (participates in β ladder)trans-137.8144.9169.8-65.3175.8000109.8I112 L113 V114 G115 N153 D156 I157I112-L144 HydrophobicContact CD1-CB 4.43Å; I112-L144 HydrophobicContact CD1-CD1 3.8Å; I112-L144 HydrophobicContact CD1-CG 3.98Å; L113-L144 PolarHBondContact O-N 3.47Å; L113-L144 VanDerWaalsContact O-N 3.09Å; V114-L144 WeakPolarHBondContact CA-O 3.36Å; G115-L144 PolarHBondContact N-O 2.87Å; L144-N153 HydrophobicContact CD1-CB 4.35Å; L144-D156 HydrophobicContact CD1-CB 3.73Å; L144-I157 HydrophobicContact CD1-CG1 4.41Å
145E98.8Very high97.8Very high19 Ų1958.6 Ų58.69%0.08929%0.293CS..EExtended strand (participates in β ladder)trans-87.5147.6157.3-65.3-165.415500109.2G115 C118 R124 K128 F143 N153G115-E145 CarbonylContact O-C 3.55Å; G115-E145 WeakPolarHBondContact O-CA 3.36Å; C118-E145 HydrophobicContact CB-CB 4.08Å; R124-E145 IonicContact CZ-OE1 3.63Å; R124-E145 IonicContact CZ-OE2 3.4Å; R124-E145 IonicContact NH1-OE1 2.84Å; R124-E145 PolarHBondContact NH1-OE1 2.72Å; R124-E145 IonicContact NH1-OE2 2.7Å; R124-E145 IonicContact NH2-OE1 2.96Å; R124-E145 PolarHBondContact NH2-OE1 3.01Å; R124-E145 IonicContact NH2-OE2 3.48Å; R124-E145 PolarHBondContact NH2-OE2 2.98Å; K128-E145 WeakPolarHBondContact CA-OE1 3.32Å; K128-E145 WeakPolarHBondContact CB-OE1 3.42Å; K128-E145 HydrophobicContact CG-CG 4.28Å; F143-E145 HydrophobicContact CE1-CG 4.2Å; F143-E145 HydrophobicContact CE2-CG 4.44Å; F143-E145 HydrophobicContact CZ-CG 3.64Å; E145-N153 WeakPolarHBondContact O-CB 3.42Å; E145-N153 PolarHBondContact O-ND2 3.33Å
146S98.9Very high97.8Very high0 Ų062 Ų620%031%0.311CS..EExtended strand (participates in β ladder)trans-141.3162.4-178.363.70000111.9V114 G115 N116 K117 C118 I152V114-S146 WeakPolarHBondContact CG1-OG 3.29Å; G115-S146 PolarHBondContact O-N 3.46Å; N116-S146 CarbonylContact C-O 3.6Å; N116-S146 VanDerWaalsContact CA-O 3.31Å; N116-S146 WeakPolarHBondContact CA-O 3.42Å; N116-S146 PolarHBondContact OD1-O 3.32Å; N116-S146 PolarHBondContact OD1-OG 3.21Å; K117-S146 PolarHBondContact N-O 2.82Å; C118-S146 PolarHBondContact N-O 2.94Å; C118-S146 PolarHBondContact SG-O 3.41Å; C118-S146 VanDerWaalsContact SG-O 3.34Å; S146-I152 VanDerWaalsContact CA-O 3.3Å; S146-I152 WeakPolarHBondContact CA-O 3.3Å; S146-I152 VanDerWaalsContact CB-O 3.3Å; S146-I152 WeakPolarHBondContact CB-O 3.3Å
147S98.8Very high97.8Very high0 Ų054.8 Ų54.80%028%0.284CS..BIsolated β-bridgetrans-138112.1167.6173.30000108.4D119 K149 S150 K151 I152D119-S147 VanDerWaalsContact OD1-CB 3.24Å; D119-S147 WeakPolarHBondContact OD1-CB 3.2Å; D119-S147 PolarHBondContact OD1-OG 2.73Å; S147-K149 PolarHBondContact O-N 2.82Å; S147-K149 PolarHBondContact OG-N 3.25Å; S147-S150 WeakPolarHBondContact OG-CB 3.06Å; S147-S150 PolarHBondContact OG-N 3.17Å; S147-K151 CarbonylContact O-C 3.53Å; S147-K151 WeakPolarHBondContact O-CA 3.34Å; S147-K151 PolarHBondContact O-N 2.95Å; S147-I152 PolarHBondContact N-O 3.38Å; S147-I152 PolarHBondContact O-N 3.34Å
148A98.6Very high97.9Very high3 Ų348 Ų483%0.02525%0.252CS..THydrogen-bonded Turntrans-57.9-39.2168.300000111.2A18 L19 Q22 F28 N116A18-A148 HydrophobicContact CB-CB 3.63Å; L19-A148 HydrophobicContact CD2-CB 3.96Å; L19-A148 HydrophobicContact CG-CB 4.2Å; Q22-A148 WeakPolarHBondContact CG-O 3.4Å; Q22-A148 PolarHBondContact NE2-O 3.08Å; F28-A148 HydrophobicContact CD2-CB 4.04Å; F28-A148 HydrophobicContact CE2-CB 4.11Å; N116-A148 PolarHBondContact OD1-N 3.36Å
149K98.2Very high98Very high108 Ų10849.7 Ų49.747%0.4726%0.259SS..THydrogen-bonded Turntrans-66.2-50.8-178.7-173.8175.4-179.3-179.20112.1F28 D119 S147 K151F28-K149 HydrophobicContact CD1-CB 4.26Å; F28-K149 HydrophobicContact CD1-CG 4.03Å; F28-K149 HydrophobicContact CD2-CB 4.29Å; F28-K149 HydrophobicContact CE1-CB 3.97Å; F28-K149 HydrophobicContact CE1-CD 4.12Å; F28-K149 HydrophobicContact CE1-CG 3.78Å; F28-K149 HydrophobicContact CE2-CB 4.02Å; F28-K149 HydrophobicContact CG-CB 4.41Å; F28-K149 HydrophobicContact CZ-CB 3.85Å; F28-K149 HydrophobicContact CZ-CD 4.43Å; F28-K149 HydrophobicContact CZ-CG 4.16Å; D119-K149 WeakPolarHBondContact OD2-CD 3.29Å; S147-K149 PolarHBondContact O-N 2.82Å; S147-K149 PolarHBondContact OG-N 3.25Å; K149-K151 VanDerWaalsContact C-N 3.35Å
150S98.2Very high98.3Very high66 Ų6645.5 Ų45.546%0.46224%0.236SC..THydrogen-bonded Turntrans-91.27.6-176.4-59.10000114D119 S147 I152D119-S150 WeakPolarHBondContact CB-OG 3.43Å; S147-S150 WeakPolarHBondContact OG-CB 3.06Å; S147-S150 PolarHBondContact OG-N 3.17Å; S150-I152 PolarHBondContact O-N 3.02Å
151K98Very high98.6Very high128 Ų12839.4 Ų39.456%0.55720%0.203SC*.THydrogen-bonded Turntrans5925.5-179.5-62.6-178.6176.8-168.70114.4Q22 G26 S147 K149Q22-K151 HydrophobicContact CG-CG 4.14Å; G26-K151 PolarHBondContact O-NZ 2.94Å; S147-K151 CarbonylContact O-C 3.53Å; S147-K151 WeakPolarHBondContact O-CA 3.34Å; S147-K151 PolarHBondContact O-N 2.95Å; K149-K151 VanDerWaalsContact C-N 3.35Å
152I98.8Very high98.6Very high68 Ų6838.3 Ų38.335%0.34920%0.196SC..BIsolated β-bridgetrans-81.7125.5-179-61.1170.8000109.3S146 S147 S150 V154S146-I152 VanDerWaalsContact CA-O 3.3Å; S146-I152 WeakPolarHBondContact CA-O 3.3Å; S146-I152 VanDerWaalsContact CB-O 3.3Å; S146-I152 WeakPolarHBondContact CB-O 3.3Å; S147-I152 PolarHBondContact N-O 3.38Å; S147-I152 PolarHBondContact O-N 3.34Å; S150-I152 PolarHBondContact O-N 3.02Å; I152-V154 PolarHBondContact O-N 3.37Å
153N98.7Very high98.6Very high53 Ų5340.5 Ų40.528%0.28320%0.199SC..SBendtrans55.615.6175.7-63.1-25.7000115.9L144 E145 D156 I157L144-N153 HydrophobicContact CD1-CB 4.35Å; E145-N153 WeakPolarHBondContact O-CB 3.42Å; E145-N153 PolarHBondContact O-ND2 3.33Å; N153-D156 WeakPolarHBondContact CA-OD2 3.24Å; N153-D156 HydrophobicContact CB-CB 4.34Å; N153-D156 PolarHBondContact O-N 3.25Å; N153-I157 WeakPolarHBondContact O-CD1 3.45Å; N153-I157 WeakPolarHBondContact O-CG1 3.31Å; N153-I157 PolarHBondContact O-N 2.97Å
154V98.8Very high98.6Very high6 Ų640.4 Ų40.44%0.03620%0.199CC..Hα-helixtrans-64.1-45.2-177.5176.70000111L19 Q22 F23 I152 F158L19-V154 HydrophobicContact CD2-CG2 4.01Å; Q22-V154 HydrophobicContact CB-CG1 4.14Å; Q22-V154 HydrophobicContact CG-CB 4.48Å; Q22-V154 HydrophobicContact CG-CG1 4.02Å; Q22-V154 HydrophobicContact CG-CG2 4.06Å; F23-V154 HydrophobicContact CB-CG1 3.77Å; I152-V154 PolarHBondContact O-N 3.37Å; V154-F158 WeakPolarHBondContact O-CD2 3.4Å
155L98.4Very high98.6Very high86 Ų8638.4 Ų38.445%0.4519%0.188SC..Hα-helixtrans-68.1-41176.2-64.8178.3000111.5F23 I157 F158 Y159F23-L155 HydrophobicContact CD2-CD2 3.64Å; F23-L155 HydrophobicContact CE2-CD2 3.63Å; L155-I157 VanDerWaalsContact C-N 3.3Å; L155-I157 PolarHBondContact O-N 3.24Å; L155-F158 PolarHBondContact O-N 3.16Å; L155-Y159 PolarHBondContact O-N 3.2Å
156D98.7Very high98.4Very high75 Ų7538.8 Ų38.840%0.40119%0.191SC..Hα-helixtrans-60.9-37.2-173.6-59.3-76.5000112.6L144 N153 F158 Y159 D160L144-D156 HydrophobicContact CD1-CB 3.73Å; N153-D156 WeakPolarHBondContact CA-OD2 3.24Å; N153-D156 HydrophobicContact CB-CB 4.34Å; N153-D156 PolarHBondContact O-N 3.25Å; D156-F158 PolarHBondContact O-N 3.4Å; D156-Y159 PolarHBondContact O-N 3.46Å; D156-D160 VanDerWaalsContact O-CB 3.22Å; D156-D160 WeakPolarHBondContact O-CB 3.36Å; D156-D160 PolarHBondContact O-N 3.08Å
157I98.9Very high98.3Very high1 Ų147.6 Ų47.61%0.00522%0.224CC..Hα-helixtrans-55-54.3176-68.1159.4000111.4L19 A79 I112 V114 L144 N153 L155 L161L19-I157 HydrophobicContact CD1-CD1 4.3Å; L19-I157 HydrophobicContact CD2-CD1 4.15Å; A79-I157 HydrophobicContact CB-CG2 4.04Å; I112-I157 HydrophobicContact CG2-CG2 4Å; V114-I157 HydrophobicContact CG1-CD1 3.6Å; V114-I157 HydrophobicContact CG1-CG1 4.27Å; V114-I157 HydrophobicContact CG2-CD1 4.06Å; V114-I157 HydrophobicContact CG2-CG1 3.93Å; V114-I157 HydrophobicContact CG2-CG2 4.02Å; L144-I157 HydrophobicContact CD1-CG1 4.41Å; N153-I157 WeakPolarHBondContact O-CD1 3.45Å; N153-I157 WeakPolarHBondContact O-CG1 3.31Å; N153-I157 PolarHBondContact O-N 2.97Å; L155-I157 VanDerWaalsContact C-N 3.3Å; L155-I157 PolarHBondContact O-N 3.24Å; I157-L161 PolarHBondContact O-N 3.01Å
158F98.8Very high97.9Very high2 Ų251.3 Ų51.31%0.00924%0.24CC..Hα-helixtrans-74.8-34.3-174.4-60.1-81.4000111.6L6 V8 F23 L53 I55 V154 L155 D156 L161 V162L6-F158 HydrophobicContact CD1-CB 4.22Å; L6-F158 HydrophobicContact CD1-CD1 3.87Å; V8-F158 HydrophobicContact CG2-CE1 4.04Å; V8-F158 HydrophobicContact CG2-CZ 4.43Å; F23-F158 HydrophobicContact CB-CD2 3.77Å; F23-F158 HydrophobicContact CB-CE2 3.4Å; F23-F158 VanDerWaalsContact CB-CE2 3.4Å; F23-F158 HydrophobicContact CB-CZ 4.14Å; F23-F158 AromaticContact CD1-CD2 3.9Å; F23-F158 HydrophobicContact CD1-CD2 3.9Å; F23-F158 HydrophobicContact CD1-CE2 4.14Å; F23-F158 HydrophobicContact CD1-CG 4.13Å; F23-F158 HydrophobicContact CD2-CB 4.23Å; F23-F158 AromaticContact CD2-CD2 3.28Å; F23-F158 HydrophobicContact CD2-CD2 3.28Å; F23-F158 AromaticContact CD2-CE2 3.89Å; F23-F158 HydrophobicContact CD2-CE2 3.89Å; F23-F158 AromaticContact CD2-CG 3.98Å; F23-F158 HydrophobicContact CD2-CG 3.98Å; F23-F158 HydrophobicContact CE1-CB 4.31Å; F23-F158 HydrophobicContact CE1-CD2 4.34Å; F23-F158 HydrophobicContact CE1-CG 4.2Å; F23-F158 HydrophobicContact CE2-CB 3.81Å; F23-F158 AromaticContact CE2-CD2 3.79Å; F23-F158 HydrophobicContact CE2-CD2 3.79Å; F23-F158 HydrophobicContact CE2-CG 4.05Å; F23-F158 AromaticContact CG-CD2 3.35Å; F23-F158 HydrophobicContact CG-CD2 3.35Å; F23-F158 AromaticContact CG-CE2 3.55Å; F23-F158 HydrophobicContact CG-CE2 3.55Å; F23-F158 HydrophobicContact CG-CG 4.03Å; F23-F158 HydrophobicContact CG-CZ 4.33Å; F23-F158 HydrophobicContact CZ-CB 3.85Å; F23-F158 HydrophobicContact CZ-CD2 4.28Å; F23-F158 HydrophobicContact CZ-CG 4.16Å; L53-F158 HydrophobicContact CD1-CB 4.07Å; I55-F158 HydrophobicContact CD1-CD1 3.67Å; I55-F158 HydrophobicContact CD1-CE1 3.64Å; I55-F158 HydrophobicContact CD1-CG 4.34Å; I55-F158 HydrophobicContact CD1-CZ 4.31Å; I55-F158 HydrophobicContact CG1-CD1 4.13Å; I55-F158 HydrophobicContact CG1-CE1 4.12Å; I55-F158 HydrophobicContact CG2-CE1 3.88Å; V154-F158 WeakPolarHBondContact O-CD2 3.4Å; L155-F158 PolarHBondContact O-N 3.16Å; D156-F158 PolarHBondContact O-N 3.4Å; F158-L161 PolarHBondContact O-N 3.47Å; F158-V162 WeakPolarHBondContact O-CG2 3.43Å; F158-V162 PolarHBondContact O-N 2.78Å; F158-V162 VanDerWaalsContact O-N 3.16Å
159Y98.7Very high97.5Very high48 Ų4855.3 Ų55.319%0.18827%0.265CS..Hα-helixtrans-71.3-36.1178.6-73.29.5000112F23 V44 V46 L155 D156 V162 R163F23-Y159 HydrophobicContact CE2-CD1 4.36Å; F23-Y159 AromaticContact CE2-CE1 3.96Å; F23-Y159 HydrophobicContact CE2-CE1 3.96Å; F23-Y159 HydrophobicContact CZ-CE1 4.1Å; V44-Y159 HydrophobicContact CB-CE1 3.95Å; V44-Y159 HydrophobicContact CG1-CE1 4.13Å; V44-Y159 HydrophobicContact CG2-CE1 3.99Å; V46-Y159 HydrophobicContact CG2-CD1 3.62Å; V46-Y159 HydrophobicContact CG2-CD2 4.31Å; V46-Y159 HydrophobicContact CG2-CE1 3.88Å; V46-Y159 HydrophobicContact CG2-CG 3.86Å; L155-Y159 PolarHBondContact O-N 3.2Å; D156-Y159 PolarHBondContact O-N 3.46Å; Y159-V162 PolarHBondContact O-N 3.47Å; Y159-R163 WeakPolarHBondContact O-CG 3.43Å; Y159-R163 PolarHBondContact O-N 3.33Å
160D98.8Very high96.9Very high31 Ų3154.7 Ų54.717%0.16627%0.271CS..Hα-helixtrans-61.7-45.7173-176.3-120000111.4I112 A142 D156 V162 R163 Q164I112-D160 HydrophobicContact CD1-CB 4.24Å; A142-D160 WeakPolarHBondContact CB-OD1 3.48Å; D156-D160 VanDerWaalsContact O-CB 3.22Å; D156-D160 WeakPolarHBondContact O-CB 3.36Å; D156-D160 PolarHBondContact O-N 3.08Å; D160-V162 VanDerWaalsContact C-N 3.32Å; D160-V162 PolarHBondContact O-N 3.36Å; D160-R163 WeakPolarHBondContact O-CB 3.49Å; D160-R163 PolarHBondContact O-N 3.03Å; D160-Q164 WeakPolarHBondContact O-CG 3.38Å; D160-Q164 PolarHBondContact O-N 2.98Å; D160-Q164 PolarHBondContact OD1-NE2 2.87Å
161L98.8Very high95.9Very high1 Ų153.9 Ų53.91%0.00526%0.264CS..Hα-helixtrans-58-42.2175.4-73.4175.5000112.7L6 A79 I112 I157 F158 R163 Q164 I165L6-L161 HydrophobicContact CD1-CB 4.34Å; L6-L161 HydrophobicContact CD1-CD1 4.37Å; L6-L161 HydrophobicContact CD2-CB 3.84Å; L6-L161 HydrophobicContact CD2-CD1 4.19Å; A79-L161 HydrophobicContact CB-CD1 4.17Å; I112-L161 HydrophobicContact CB-CD2 4.37Å; I112-L161 HydrophobicContact CG2-CD1 4.01Å; I112-L161 HydrophobicContact CG2-CD2 3.86Å; I112-L161 HydrophobicContact CG2-CG 3.8Å; I157-L161 PolarHBondContact O-N 3.01Å; F158-L161 PolarHBondContact O-N 3.47Å; L161-R163 VanDerWaalsContact C-N 3.33Å; L161-R163 PolarHBondContact O-N 2.95Å; L161-Q164 PolarHBondContact O-N 2.74Å; L161-I165 WeakPolarHBondContact O-CD1 3.36Å; L161-I165 VanDerWaalsContact O-CG1 3.26Å; L161-I165 WeakPolarHBondContact O-CG1 3.37Å; L161-I165 PolarHBondContact O-N 2.99Å
162V98.6Very high94.9Very high0 Ų056.4 Ų56.40%028%0.278CS..Hα-helixtrans-59.2-45.1174.4171.70000111.1Y4 V46 L53 F158 Y159 D160 I165 N166Y4-V162 HydrophobicContact CD1-CG1 4.38Å; Y4-V162 HydrophobicContact CD1-CG2 4.46Å; Y4-V162 HydrophobicContact CD2-CG2 4.44Å; Y4-V162 HydrophobicContact CE1-CG1 3.92Å; Y4-V162 HydrophobicContact CE2-CG1 4.08Å; Y4-V162 HydrophobicContact CG-CG2 4.27Å; V46-V162 HydrophobicContact CB-CG1 3.95Å; V46-V162 HydrophobicContact CG1-CB 4.34Å; V46-V162 HydrophobicContact CG1-CG1 3.92Å; V46-V162 HydrophobicContact CG2-CB 4.29Å; V46-V162 HydrophobicContact CG2-CG1 4.02Å; V46-V162 HydrophobicContact CG2-CG2 4.42Å; L53-V162 HydrophobicContact CD1-CG2 4.18Å; L53-V162 HydrophobicContact CD2-CG2 3.34Å; L53-V162 HydrophobicContact CG-CG2 4.42Å; F158-V162 WeakPolarHBondContact O-CG2 3.43Å; F158-V162 PolarHBondContact O-N 2.78Å; F158-V162 VanDerWaalsContact O-N 3.16Å; Y159-V162 PolarHBondContact O-N 3.47Å; D160-V162 VanDerWaalsContact C-N 3.32Å; D160-V162 PolarHBondContact O-N 3.36Å; V162-I165 PolarHBondContact O-N 2.93Å; V162-N166 WeakPolarHBondContact O-CB 3.38Å; V162-N166 VanDerWaalsContact O-CG 3.3Å; V162-N166 PolarHBondContact O-N 3.03Å; V162-N166 PolarHBondContact O-ND2 3.28Å
163R98.1Very high93.3Very high73 Ų7362.4 Ų62.428%0.27530%0.301SS..Hα-helixtrans-63.7-42.5177.7-70.9174.8-176.7128.2-0.9111.9V46 D47 Y159 D160 L161 N166 R167V46-R163 HydrophobicContact CG1-CG 4.09Å; D47-R163 IonicContact OD1-CZ 3.78Å; D47-R163 IonicContact OD1-NE 3.33Å; D47-R163 PolarHBondContact OD1-NE 3.01Å; D47-R163 VanDerWaalsContact OD1-NE 3.09Å; D47-R163 IonicContact OD1-NH2 2.86Å; D47-R163 PolarHBondContact OD1-NH2 2.83Å; D47-R163 WeakPolarHBondContact OD2-CG 3.5Å; D47-R163 IonicContact OD2-NE 2.7Å; D47-R163 PolarHBondContact OD2-NE 3.23Å; Y159-R163 WeakPolarHBondContact O-CG 3.43Å; Y159-R163 PolarHBondContact O-N 3.33Å; D160-R163 WeakPolarHBondContact O-CB 3.49Å; D160-R163 PolarHBondContact O-N 3.03Å; L161-R163 VanDerWaalsContact C-N 3.33Å; L161-R163 PolarHBondContact O-N 2.95Å; R163-N166 PolarHBondContact O-N 2.92Å; R163-R167 WeakPolarHBondContact O-CG 3.29Å; R163-R167 PolarHBondContact O-N 2.7Å
164Q98.2Very high91.5Very high32 Ų3269.7 Ų69.715%0.1533%0.33CS..Hα-helixtrans-61-46.7175.8-68.3-17240.600111.5P110 M111 D160 L161 N166 R167 K168P110-Q164 VanDerWaalsContact CA-OE1 3.29Å; P110-Q164 HydrophobicContact CB-CB 3.85Å; P110-Q164 HydrophobicContact CG-CB 4.49Å; M111-Q164 PolarHBondContact O-NE2 3.42Å; M111-Q164 PolarHBondContact O-OE1 2.95Å; D160-Q164 WeakPolarHBondContact O-CG 3.38Å; D160-Q164 PolarHBondContact O-N 2.98Å; D160-Q164 PolarHBondContact OD1-NE2 2.87Å; L161-Q164 PolarHBondContact O-N 2.74Å; Q164-N166 VanDerWaalsContact C-N 3.3Å; Q164-N166 PolarHBondContact O-N 2.89Å; Q164-R167 PolarHBondContact O-N 2.94Å; Q164-K168 PolarHBondContact O-N 2.75Å
165I97.9Very high89.5Confident6 Ų678.9 Ų78.93%0.03137%0.37CS..Hα-helixtrans-60.5-41.3175.9-65.7161.5000111Y4 L6 Q76 P110 L161 V162 R167 K168 T169Y4-I165 HydrophobicContact CD1-CB 4.03Å; Y4-I165 HydrophobicContact CD1-CD1 3.88Å; Y4-I165 HydrophobicContact CD1-CG2 3.75Å; Y4-I165 HydrophobicContact CE1-CB 4.17Å; Y4-I165 HydrophobicContact CE1-CG2 3.86Å; L6-I165 HydrophobicContact CD2-CD1 3.66Å; Q76-I165 HydrophobicContact CB-CD1 3.72Å; Q76-I165 HydrophobicContact CB-CG1 4.18Å; Q76-I165 WeakPolarHBondContact O-CG1 3.37Å; P110-I165 HydrophobicContact CB-CG1 3.84Å; P110-I165 HydrophobicContact CG-CG1 3.82Å; L161-I165 WeakPolarHBondContact O-CD1 3.36Å; L161-I165 VanDerWaalsContact O-CG1 3.26Å; L161-I165 WeakPolarHBondContact O-CG1 3.37Å; L161-I165 PolarHBondContact O-N 2.99Å; V162-I165 PolarHBondContact O-N 2.93Å; I165-R167 PolarHBondContact O-N 3.34Å; I165-K168 PolarHBondContact O-N 3.05Å; I165-T169 PolarHBondContact O-N 3.49Å
166N96.5Very high87.6Confident27 Ų2779.1 Ų79.114%0.14438%0.384CS..Hα-helixtrans-66.8-32.9178.6-78.7-26.2000114R2 Y4 V162 R163 Q164 K168 T169 P170R2-N166 PolarHBondContact NH1-OD1 3.27Å; Y4-N166 WeakPolarHBondContact CE1-OD1 3.47Å; Y4-N166 VanDerWaalsContact OH-CG 3.26Å; Y4-N166 PolarHBondContact OH-ND2 3Å; Y4-N166 PolarHBondContact OH-OD1 2.88Å; V162-N166 WeakPolarHBondContact O-CB 3.38Å; V162-N166 VanDerWaalsContact O-CG 3.3Å; V162-N166 PolarHBondContact O-N 3.03Å; V162-N166 PolarHBondContact O-ND2 3.28Å; R163-N166 PolarHBondContact O-N 2.92Å; Q164-N166 VanDerWaalsContact C-N 3.3Å; Q164-N166 PolarHBondContact O-N 2.89Å; N166-K168 VanDerWaalsContact C-N 3.26Å; N166-K168 PolarHBondContact O-N 3.48Å; N166-T169 CarbonylContact O-C 3.55Å; N166-P170 WeakPolarHBondContact O-CA 3.46Å
167R95.1Very high85.6Confident185 Ų18585.2 Ų85.270%0.69841%0.407SS*.Hα-helixtrans-63.2-35.8174.5-72.6169.1-172.8163.54111.6R163 Q164 I165R163-R167 WeakPolarHBondContact O-CG 3.29Å; R163-R167 PolarHBondContact O-N 2.7Å; Q164-R167 PolarHBondContact O-N 2.94Å; I165-R167 PolarHBondContact O-N 3.34Å
168K92.1Very high83.4Confident78 Ų7894.8 Ų94.834%0.33945%0.449SS..Hα-helixtrans-85.8-37.6-177.4-59.5179.479.3124.70113.6D108 P110 Q164 I165 N166D108-K168 PolarHBondContact O-NZ 2.86Å; D108-K168 IonicContact OD1-NZ 2.69Å; D108-K168 PolarHBondContact OD1-NZ 2.98Å; D108-K168 WeakPolarHBondContact OD2-CE 3.17Å; D108-K168 IonicContact OD2-NZ 2.78Å; D108-K168 PolarHBondContact OD2-NZ 3.32Å; P110-K168 HydrophobicContact CG-CD 3.57Å; Q164-K168 PolarHBondContact O-N 2.75Å; I165-K168 PolarHBondContact O-N 3.05Å; N166-K168 VanDerWaalsContact C-N 3.26Å; N166-K168 PolarHBondContact O-N 3.48Å
169T89.7Confident81.2Confident88 Ų88104 Ų10454%0.5449%0.489SS..SBendtrans-127.882.4177.7-48.50000107.3R2 I165 N166R2-T169 VanDerWaalsContact CZ-O 3.25Å; R2-T169 PolarHBondContact NH1-O 3.09Å; R2-T169 PolarHBondContact NH2-O 2.86Å; I165-T169 PolarHBondContact O-N 3.49Å; N166-T169 CarbonylContact O-C 3.55Å
170P85.1Confident79.1Confident94 Ų94106.8 Ų106.861%0.6152%0.515SS*.  trans-56.9142.1-178.5-26.635.9000112.1N166 E172N166-P170 WeakPolarHBondContact O-CA 3.46Å; P170-E172 PolarHBondContact O-N 3.31Å
171V78Confident77Confident49 Ų49112.4 Ų112.430%0.29755%0.545SS..  trans-65.6126171.9-175.70000107.9K173V171-K173 PolarHBondContact O-N 2.89Å
172E75.5Confident74.6Confident182 Ų182117.6 Ų117.685%0.8558%0.58SS**  trans-55.6112.5170.3-70.8-172.6176.500109.2P170 K174P170-E172 PolarHBondContact O-N 3.31Å; E172-K174 PolarHBondContact O-N 2.54Å
173K66.3Low73.1Confident193 Ų193123.2 Ų123.284%0.83962%0.615SS**  trans-66.1111.7173-68.7-175.3-179.3179.80106.9V171 K175V171-K173 PolarHBondContact O-N 2.89Å; K173-K175 PolarHBondContact O-N 3.06Å
174K61.1Low71.2Confident206 Ų206127.3 Ų127.390%0.89664%0.641SS**  trans-52112.1165.2-74.6-174.2178-179.30106.7E172 A176E172-K174 PolarHBondContact O-N 2.54Å; K174-A176 PolarHBondContact O-N 2.95Å
175K55.7Low69Low199 Ų199137 Ų13787%0.86569%0.692SS**  trans-50.2120.2173.1-74.8-179.5178.7176.60106.6K173 K177K173-K175 PolarHBondContact O-N 3.06Å; K175-K177 PolarHBondContact O-N 3.08Å
176A58.7Low67.5Low92 Ų92143.5 Ų143.576%0.7673%0.725SS**  trans-52.6118.3173.100000106.7K174 K178K174-A176 PolarHBondContact O-N 2.95Å; A176-K178 PolarHBondContact O-N 3.29Å
177K56.3Low66Low203 Ų203149.6 Ų149.688%0.88376%0.756SS**  trans-54.8110.5170.3-80-175.3175.8-178.20105.3K175 K179K175-K177 PolarHBondContact O-N 3.08Å; K177-K179 PolarHBondContact O-N 3.33Å
178K53Low64.4Low202 Ų202147.7 Ų147.788%0.87876%0.759SS**  trans-51.2116.9167.6-85.5-176.4173.4-179.60105A176 S180A176-K178 PolarHBondContact O-N 3.29Å; K178-S180 VanDerWaalsContact C-N 3.29Å; K178-S180 PolarHBondContact O-N 3.22Å
179K54Low62.7Low196 Ų196151.8 Ų151.885%0.85278%0.784SS**  trans-56.2104164.8-80.3-177.1174.3-179.90104.8K177 N181K177-K179 PolarHBondContact O-N 3.33Å; K179-N181 PolarHBondContact O-N 3.34Å; K179-N181 VanDerWaalsContact O-N 3.09Å
180S53.5Low61.1Low106 Ų106155.8 Ų155.874%0.74180%0.799SS**  trans-63.8112.8168.355.20000105K178 C182K178-S180 VanDerWaalsContact C-N 3.29Å; K178-S180 PolarHBondContact O-N 3.22Å; S180-C182 VanDerWaalsContact C-N 3.29Å; S180-C182 PolarHBondContact O-N 3.06Å
181N54.5Low59.5Low149 Ų149159.9 Ų159.980%0.79781%0.812SS**  trans-57.2102.5165.5-80.4-10.1000106.2K179 V183K179-N181 PolarHBondContact O-N 3.34Å; K179-N181 VanDerWaalsContact O-N 3.09Å; N181-V183 VanDerWaalsContact C-N 3.33Å; N181-V183 PolarHBondContact O-N 2.96Å
182C49.5Very low58.1Low110 Ų110167.8 Ų167.874%0.74385%0.848SS**  trans-71.897172.4-160.10000105.6S180 L184S180-C182 VanDerWaalsContact C-N 3.29Å; S180-C182 PolarHBondContact O-N 3.06Å; C182-L184 PolarHBondContact O-N 2.84Å
183V66.2Low56.8Low118 Ų118166.7 Ų166.772%0.71585%0.848SS**  trans-78.8101.4169.1-174.10000105.3N181 L185N181-V183 VanDerWaalsContact C-N 3.33Å; N181-V183 PolarHBondContact O-N 2.96Å; V183-L185 PolarHBondContact O-N 3.38Å
184L57.6Low56Low159 Ų159164.5 Ų164.583%0.83285%0.849SS**  trans-70.4114.2164.6-77.7157.5000106.5C182C182-L184 PolarHBondContact O-N 2.84Å
185L52Low55.5Low234 Ų234160.7 Ų160.7100%1.22585%0.845SS**  trans-74.80162.6-78.7163.4000109.5V183V183-L185 PolarHBondContact O-N 3.38Å

Retrieved 185 of 185 residues in 387.7 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).