A0A3Q0KLH6_SCHMA Loading...

DNA 3'-5' helicase AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KLH6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,077 aa.

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

 

Download Structure   AlphaSync Parameters   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
1M86.8Confident85.1Confident50 Ų5036.1 Ų36.125%0.24624%0.244CC..  0148.20-32167.8-15100109.4S5 K7 C10 T146 A147 C186M1-S5 WeakPolarHBondContact CB-OG 3.4Å; M1-K7 HydrophobicContact CB-CD 4.4Å; M1-K7 HydrophobicContact CB-CG 3.92Å; M1-K7 HydrophobicContact CE-CG 4.46Å; M1-K7 HydrophobicContact CG-CG 4.21Å; M1-K7 PolarHBondContact O-NZ 3.19Å; M1-K7 HydrophobicContact SD-CG 3.87Å; M1-C10 HydrophobicContact CE-CB 4.09Å; M1-T146 PolarHBondContact N-O 3.04Å; M1-T146 VanDerWaalsContact N-O 3.08Å; M1-A147 VanDerWaalsContact O-CA 3.25Å; M1-A147 WeakPolarHBondContact O-CA 3.45Å; M1-C186 HydrophobicContact CB-CB 4.45Å
2P80.6Confident86Confident11 Ų1134.1 Ų34.17%0.07123%0.228CC..  trans-51.9171.6-177-27.632.9000117S5 K7 Y316P2-S5 WeakPolarHBondContact CD-OG 3.49Å; P2-S5 PolarHBondContact O-OG 2.73Å; P2-S5 VanDerWaalsContact O-OG 3.1Å; P2-K7 PolarHBondContact O-NZ 3.26Å; P2-Y316 WeakPolarHBondContact CG-OH 3.29Å
3T75Confident86.7Confident8 Ų838.4 Ų38.45%0.04925%0.247CC..THydrogen-bonded Turntrans-68.7137.3160.546.20000110.1S5 A147 Q317 G320T3-S5 VanDerWaalsContact C-N 3.28Å; T3-S5 PolarHBondContact O-N 2.9Å; T3-A147 HydrophobicContact CG2-CB 4.22Å; T3-Q317 HydrophobicContact CG2-CG 4.03Å; T3-G320 VanDerWaalsContact OG1-CA 3.3Å; T3-G320 WeakPolarHBondContact OG1-CA 3.42Å; T3-G320 PolarHBondContact OG1-O 3.21Å
4G71.7Confident87.2Confident44 Ų4438.4 Ų38.445%0.45425%0.247SC..THydrogen-bonded Turntrans82.2-16.2-175.800000115.8G6G4-G6 PolarHBondContact O-N 2.67Å
5S77.3Confident87.7Confident46 Ų4635.8 Ų35.832%0.32223%0.23SC..SBendtrans-77.835-174.476.60000115.2M1 P2 T3 K7M1-S5 WeakPolarHBondContact CB-OG 3.4Å; P2-S5 WeakPolarHBondContact CD-OG 3.49Å; P2-S5 PolarHBondContact O-OG 2.73Å; P2-S5 VanDerWaalsContact O-OG 3.1Å; T3-S5 VanDerWaalsContact C-N 3.28Å; T3-S5 PolarHBondContact O-N 2.9Å; S5-K7 VanDerWaalsContact C-N 3.33Å; S5-K7 PolarHBondContact O-N 3.45Å
6G82.2Confident88Confident30 Ų3036.6 Ų36.631%0.30923%0.234SC..  trans7012.4173.900000117.5G4 S8 L9G4-G6 PolarHBondContact O-N 2.67Å; G6-S8 PolarHBondContact O-N 3Å; G6-L9 VanDerWaalsContact O-CB 3.28Å; G6-L9 WeakPolarHBondContact O-CB 3.3Å; G6-L9 PolarHBondContact O-N 3.5Å
7K89.5Confident88.3Confident22 Ų2240.5 Ų40.510%0.09626%0.257CS..Hα-helixtrans-42-44.9-178.7-76.3-160.6-61.3-69.30114.2M1 P2 S5 L9 C10 L145M1-K7 HydrophobicContact CB-CD 4.4Å; M1-K7 HydrophobicContact CB-CG 3.92Å; M1-K7 HydrophobicContact CE-CG 4.46Å; M1-K7 HydrophobicContact CG-CG 4.21Å; M1-K7 PolarHBondContact O-NZ 3.19Å; M1-K7 HydrophobicContact SD-CG 3.87Å; P2-K7 PolarHBondContact O-NZ 3.26Å; S5-K7 VanDerWaalsContact C-N 3.33Å; S5-K7 PolarHBondContact O-N 3.45Å; K7-L9 VanDerWaalsContact C-N 3.3Å; K7-L9 PolarHBondContact O-N 2.89Å; K7-C10 WeakPolarHBondContact O-CB 3.39Å; K7-C10 PolarHBondContact O-N 3.34Å; K7-L145 HydrophobicContact CB-CD2 4.11Å; K7-L145 HydrophobicContact CD-CB 4.43Å; K7-L145 WeakPolarHBondContact O-CD2 3.5Å
8S91.5Very high88.3Confident36 Ų3642.2 Ų42.225%0.25226%0.261SS..Hα-helixtrans-58.3-38.9179.9-51.60000113.3G6 C10 F11 Q12 Q35G6-S8 PolarHBondContact O-N 3Å; S8-C10 VanDerWaalsContact C-N 3.26Å; S8-C10 PolarHBondContact O-N 3.26Å; S8-F11 WeakPolarHBondContact O-CD1 3.49Å; S8-F11 PolarHBondContact O-N 2.91Å; S8-Q12 VanDerWaalsContact O-CB 3.24Å; S8-Q12 WeakPolarHBondContact O-CB 3.34Å; S8-Q12 WeakPolarHBondContact O-CG 3.45Å; S8-Q12 PolarHBondContact O-N 3.38Å; S8-Q35 VanDerWaalsContact CB-OE1 3.26Å; S8-Q35 PolarHBondContact OG-OE1 3.39Å
9L92.7Very high88.3Confident86 Ų8644.5 Ų44.545%0.4528%0.277SS..Hα-helixtrans-62.2-36-179.5-17564000111.6G6 K7 F11 Q12 L13G6-L9 VanDerWaalsContact O-CB 3.28Å; G6-L9 WeakPolarHBondContact O-CB 3.3Å; G6-L9 PolarHBondContact O-N 3.5Å; K7-L9 VanDerWaalsContact C-N 3.3Å; K7-L9 PolarHBondContact O-N 2.89Å; L9-F11 PolarHBondContact O-N 2.88Å; L9-Q12 PolarHBondContact O-N 3.32Å; L9-L13 HydrophobicContact CD1-CB 4.02Å; L9-L13 HydrophobicContact CG-CB 4.49Å; L9-L13 WeakPolarHBondContact O-CB 3.2Å; L9-L13 PolarHBondContact O-N 3.04Å
10C94.1Very high88.5Confident63 Ų6342.3 Ų42.343%0.42626%0.263SS..Hα-helixtrans-63.4-22.1-177.7-56.60000113.8M1 K7 S8 P14M1-C10 HydrophobicContact CE-CB 4.09Å; K7-C10 WeakPolarHBondContact O-CB 3.39Å; K7-C10 PolarHBondContact O-N 3.34Å; S8-C10 VanDerWaalsContact C-N 3.26Å; S8-C10 PolarHBondContact O-N 3.26Å; C10-P14 WeakPolarHBondContact O-CG 3.38Å
11F94.5Very high88.8Confident1 Ų140.3 Ų40.30%0.00425%0.251CS..Hα-helixtrans-106-35.3167.774.5-100.3000112.9S8 L9 L13 P14 S15 V24 L78 Y80 V108 I143 L145S8-F11 WeakPolarHBondContact O-CD1 3.49Å; S8-F11 PolarHBondContact O-N 2.91Å; L9-F11 PolarHBondContact O-N 2.88Å; F11-L13 PolarHBondContact O-N 3.05Å; F11-P14 WeakPolarHBondContact O-CD 3.25Å; F11-S15 VanDerWaalsContact O-CB 3.3Å; F11-S15 WeakPolarHBondContact O-CB 3.24Å; F11-S15 PolarHBondContact O-N 3.49Å; F11-S15 PolarHBondContact O-OG 3.01Å; F11-V24 HydrophobicContact CD2-CG2 4.1Å; F11-V24 HydrophobicContact CE2-CB 4.48Å; F11-V24 HydrophobicContact CE2-CG1 3.82Å; F11-V24 HydrophobicContact CE2-CG2 3.76Å; F11-V24 HydrophobicContact CZ-CG1 3.95Å; F11-L78 HydrophobicContact CD2-CD2 4.14Å; F11-L78 HydrophobicContact CE2-CD2 3.9Å; F11-Y80 HydrophobicContact CZ-CE1 4.39Å; F11-V108 HydrophobicContact CB-CG1 3.88Å; F11-V108 HydrophobicContact CB-CG2 3.89Å; F11-V108 HydrophobicContact CD1-CG1 3.81Å; F11-V108 HydrophobicContact CD2-CB 4.44Å; F11-V108 HydrophobicContact CD2-CG1 3.9Å; F11-V108 HydrophobicContact CD2-CG2 4.09Å; F11-V108 HydrophobicContact CE1-CG1 4.23Å; F11-V108 HydrophobicContact CE2-CG1 4.34Å; F11-V108 HydrophobicContact CG-CB 4.5Å; F11-V108 HydrophobicContact CG-CG1 3.62Å; F11-V108 HydrophobicContact CG-CG2 4.18Å; F11-V108 HydrophobicContact CZ-CG1 4.49Å; F11-I143 HydrophobicContact CB-CD1 4.3Å; F11-L145 HydrophobicContact CB-CD1 4.48Å; F11-L145 HydrophobicContact CD1-CD1 3.81Å; F11-L145 HydrophobicContact CD1-CD2 3.99Å; F11-L145 HydrophobicContact CE1-CD1 4.48Å; F11-L145 HydrophobicContact CG-CD1 4.49Å
12Q95.9Very high89.3Confident12 Ų1238 Ų386%0.05624%0.239CC..Hα-helixtrans-64.5-40.1-176.8-72.9170.93.600112.6S8 L9 S15 V16 L39 L78 Y80S8-Q12 VanDerWaalsContact O-CB 3.24Å; S8-Q12 WeakPolarHBondContact O-CB 3.34Å; S8-Q12 WeakPolarHBondContact O-CG 3.45Å; S8-Q12 PolarHBondContact O-N 3.38Å; L9-Q12 PolarHBondContact O-N 3.32Å; Q12-S15 PolarHBondContact O-N 3.43Å; Q12-V16 WeakPolarHBondContact O-CG2 3.45Å; Q12-V16 PolarHBondContact O-N 3.13Å; Q12-V16 VanDerWaalsContact O-N 3.1Å; Q12-L39 HydrophobicContact CG-CD2 4.33Å; Q12-L78 HydrophobicContact CG-CD2 3.88Å; Q12-Y80 PolarHBondContact NE2-OH 2.9Å
13L95.5Very high90.1Very high90 Ų9037.6 Ų37.647%0.47124%0.237SC..Hα-helixtrans-67.5-51.9179.4177.864000112.2L9 F11 S15 V16 V17L9-L13 HydrophobicContact CD1-CB 4.02Å; L9-L13 HydrophobicContact CG-CB 4.49Å; L9-L13 WeakPolarHBondContact O-CB 3.2Å; L9-L13 PolarHBondContact O-N 3.04Å; F11-L13 PolarHBondContact O-N 3.05Å; L13-S15 VanDerWaalsContact C-N 3.28Å; L13-S15 PolarHBondContact O-N 3.16Å; L13-V16 PolarHBondContact O-N 3.2Å; L13-V16 VanDerWaalsContact O-N 3.13Å; L13-V17 HydrophobicContact CD1-CG2 4.21Å; L13-V17 WeakPolarHBondContact O-CG2 3.42Å; L13-V17 PolarHBondContact O-N 3.36Å
14P94.3Very high91.2Very high38 Ų3837.2 Ų37.225%0.24724%0.235CC..Hα-helixtrans-55.7-40.1171.8-27.935.5000113.7C10 F11 V16 V17 H18 Y106C10-P14 WeakPolarHBondContact O-CG 3.38Å; F11-P14 WeakPolarHBondContact O-CD 3.25Å; P14-V16 VanDerWaalsContact C-N 3.28Å; P14-V16 PolarHBondContact O-N 2.8Å; P14-V17 PolarHBondContact O-N 3.34Å; P14-H18 PolarHBondContact O-CD2 3.42Å; P14-H18 VanDerWaalsContact O-CD2 3.31Å; P14-H18 PolarHBondContact O-N 3.07Å; P14-Y106 HydrophobicContact CB-CE2 3.83Å
15S94.1Very high92.4Very high0 Ų035.1 Ų35.10%021%0.213CC..Hα-helixtrans-61.2-34.3177.9-57.20000113F11 Q12 L13 A22F11-S15 VanDerWaalsContact O-CB 3.3Å; F11-S15 WeakPolarHBondContact O-CB 3.24Å; F11-S15 PolarHBondContact O-N 3.49Å; F11-S15 PolarHBondContact O-OG 3.01Å; Q12-S15 PolarHBondContact O-N 3.43Å; L13-S15 VanDerWaalsContact C-N 3.28Å; L13-S15 PolarHBondContact O-N 3.16Å; S15-A22 WeakPolarHBondContact OG-CB 3.37Å
16V92.9Very high93.1Very high49 Ų4933 Ų3330%0.29720%0.198SC..Hα-helixtrans-79.3-37.1177171.40000111.7Q12 L13 P14 I44 K77 L78Q12-V16 WeakPolarHBondContact O-CG2 3.45Å; Q12-V16 PolarHBondContact O-N 3.13Å; Q12-V16 VanDerWaalsContact O-N 3.1Å; L13-V16 PolarHBondContact O-N 3.2Å; L13-V16 VanDerWaalsContact O-N 3.13Å; P14-V16 VanDerWaalsContact C-N 3.28Å; P14-V16 PolarHBondContact O-N 2.8Å; V16-I44 HydrophobicContact CG2-CD1 4.05Å; V16-I44 HydrophobicContact CG2-CG1 4.21Å; V16-I44 HydrophobicContact CG2-CG2 3.72Å; V16-K77 HydrophobicContact CG2-CB 4.42Å; V16-K77 WeakPolarHBondContact O-CE 3.42Å; V16-K77 PolarHBondContact O-NZ 3Å; V16-L78 HydrophobicContact CG2-CD1 4.35Å
17V92.1Very high93.2Very high103 Ų10331.9 Ų31.962%0.62419%0.185SC*.Hα-helixtrans-69.6-50.1-179.2172.50000111.9L13 P14L13-V17 HydrophobicContact CD1-CG2 4.21Å; L13-V17 WeakPolarHBondContact O-CG2 3.42Å; L13-V17 PolarHBondContact O-N 3.36Å; P14-V17 PolarHBondContact O-N 3.34Å
18H89.8Confident92.8Very high71 Ų7133.2 Ų33.233%0.32919%0.193SC..SBendtrans-70.3149.3-174.8-76.4-108000112.9P14 K77 Y106P14-H18 PolarHBondContact O-CD2 3.42Å; P14-H18 VanDerWaalsContact O-CD2 3.31Å; P14-H18 PolarHBondContact O-N 3.07Å; H18-K77 PolarHBondContact O-NZ 3.45Å; H18-Y106 HydrophobicContact CB-CE2 4.1Å; H18-Y106 AromaticContact CD2-CE2 3.84Å; H18-Y106 PolarHBondContact CD2-OH 3.22Å; H18-Y106 VanDerWaalsContact CD2-OH 3.31Å; H18-Y106 PolarHBondContact CE1-OH 3.31Å; H18-Y106 AromaticContact CG-CE2 3.85Å; H18-Y106 PolarHBondContact NE2-OH 3.37Å
19P88.1Confident92.3Very high85 Ų8533.8 Ų33.855%0.55219%0.193SC*.SBendtrans-60.6150.3165.929-34.9000110.2L70 S105P19-L70 HydrophobicContact CB-CD2 4.38Å; P19-L70 HydrophobicContact CB-CG 4.34Å; P19-S105 WeakPolarHBondContact O-CB 3.48Å
20G92.2Very high91.6Very high1 Ų132 Ų321%0.0119%0.19CC..SBendtrans95.3-162.7-178.900000115K77 C103G20-K77 WeakPolarHBondContact O-CD 3.37Å; G20-C103 CarbonylContact C-O 3.52Å; G20-C103 WeakPolarHBondContact CA-O 3.35Å
21I95.2Very high90.9Very high1 Ų130.4 Ų30.41%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-128.2136.5-176.9-170.9163.7000110.6L65 Y75 P76 L79 L98 C103 L104 S105I21-L65 HydrophobicContact CD1-CD2 3.58Å; I21-Y75 HydrophobicContact CB-CE1 4.01Å; I21-Y75 HydrophobicContact CG2-CE1 4.33Å; I21-P76 WeakPolarHBondContact CB-O 3.48Å; I21-P76 HydrophobicContact CD1-CB 3.94Å; I21-P76 WeakPolarHBondContact CD1-O 3.47Å; I21-P76 WeakPolarHBondContact CG1-O 3.24Å; I21-L79 HydrophobicContact CD1-CB 3.66Å; I21-L79 HydrophobicContact CG1-CB 4.08Å; I21-L98 HydrophobicContact CG2-CD1 4.16Å; I21-L98 HydrophobicContact CG2-CD2 4.15Å; I21-C103 PolarHBondContact N-O 3.21Å; I21-L104 WeakPolarHBondContact O-CD1 3.45Å; I21-S105 VanDerWaalsContact C-OG 3.26Å; I21-S105 PolarHBondContact O-N 3.26Å; I21-S105 PolarHBondContact O-OG 2.94Å
22A96.9Very high90.5Very high0 Ų030.6 Ų30.60%018%0.179CC..EExtended strand (participates in β ladder)trans-87.8129.5169.900000110.8S15 V24 K77 L78 L79 Y106S15-A22 WeakPolarHBondContact OG-CB 3.37Å; A22-V24 HydrophobicContact CB-CG2 4.44Å; A22-K77 PolarHBondContact N-O 2.91Å; A22-L78 WeakPolarHBondContact O-CA 3.48Å; A22-L79 PolarHBondContact O-N 3.48Å; A22-Y106 WeakPolarHBondContact CA-O 3.25Å
23L97.2Very high90.1Very high4 Ų433.2 Ų33.22%0.02120%0.199CC..EExtended strand (participates in β ladder)trans-90112.7174178.766.2000109L79 I81 L86 I95 L104 Y106 F107 V108 F137L23-L79 HydrophobicContact CD1-CB 4.48Å; L23-L79 HydrophobicContact CD1-CD2 4.09Å; L23-L79 HydrophobicContact CD1-CG 4.15Å; L23-I81 HydrophobicContact CD1-CB 4.43Å; L23-I81 HydrophobicContact CD1-CG2 3.79Å; L23-I81 HydrophobicContact CG-CG2 4.41Å; L23-L86 HydrophobicContact CD2-CD1 3.95Å; L23-I95 HydrophobicContact CD1-CD1 4.41Å; L23-I95 HydrophobicContact CD2-CD1 3.51Å; L23-I95 HydrophobicContact CD2-CG1 4.04Å; L23-L104 HydrophobicContact CB-CD1 3.75Å; L23-Y106 PolarHBondContact N-O 2.97Å; L23-F107 HydrophobicContact CB-CD2 4.39Å; L23-F107 HydrophobicContact CD2-CD2 3.93Å; L23-F107 HydrophobicContact CD2-CE2 4.15Å; L23-F107 HydrophobicContact CG-CD2 4.19Å; L23-F107 HydrophobicContact CG-CE2 4.49Å; L23-V108 PolarHBondContact O-N 3.31Å; L23-F137 HydrophobicContact CD2-CE1 4.43Å; L23-F137 HydrophobicContact CD2-CZ 4.38Å
24V97.4Very high89.5Confident0 Ų031.5 Ų31.50%019%0.19CC..EExtended strand (participates in β ladder)trans-111.9108.5-171.2-175.80000110.3F11 A22 L78 L79 Y80 I81 V108F11-V24 HydrophobicContact CD2-CG2 4.1Å; F11-V24 HydrophobicContact CE2-CB 4.48Å; F11-V24 HydrophobicContact CE2-CG1 3.82Å; F11-V24 HydrophobicContact CE2-CG2 3.76Å; F11-V24 HydrophobicContact CZ-CG1 3.95Å; A22-V24 HydrophobicContact CB-CG2 4.44Å; V24-L78 HydrophobicContact CG2-CD2 4.14Å; V24-L79 PolarHBondContact N-O 3.2Å; V24-Y80 HydrophobicContact CB-CD1 3.91Å; V24-Y80 HydrophobicContact CB-CE1 4.04Å; V24-Y80 HydrophobicContact CB-CG 4.29Å; V24-Y80 HydrophobicContact CG1-CD1 3.65Å; V24-Y80 HydrophobicContact CG1-CE1 3.49Å; V24-Y80 VanDerWaalsContact CG1-CE1 3.49Å; V24-Y80 CarbonylContact O-C 3.56Å; V24-Y80 WeakPolarHBondContact O-CA 3.45Å; V24-I81 PolarHBondContact O-N 3.27Å; V24-V108 HydrophobicContact CB-CB 4.31Å; V24-V108 HydrophobicContact CG1-CB 4.2Å; V24-V108 HydrophobicContact CG1-CG1 4.16Å; V24-V108 HydrophobicContact CG2-CB 4.01Å; V24-V108 HydrophobicContact CG2-CG2 4.17Å
25V96.5Very high89.2Confident0 Ų030.5 Ų30.50%018%0.182CC..EExtended strand (participates in β ladder)trans-81.8129.7171.3-1730000109I81 P83 L86 F107 V108 D110 Y126 L129V25-I81 WeakPolarHBondContact CA-O 3.35Å; V25-I81 HydrophobicContact CG2-CG2 4.08Å; V25-P83 HydrophobicContact CG1-CB 4.03Å; V25-L86 HydrophobicContact CG2-CD2 3.79Å; V25-F107 HydrophobicContact CG2-CE2 3.55Å; V25-F107 HydrophobicContact CG2-CZ 3.92Å; V25-V108 PolarHBondContact N-O 3.48Å; V25-D110 WeakPolarHBondContact O-CB 3.34Å; V25-D110 PolarHBondContact O-N 3.06Å; V25-Y126 HydrophobicContact CG1-CE1 4.43Å; V25-L129 HydrophobicContact CG1-CD1 4.14Å; V25-L129 HydrophobicContact CG1-CD2 4.21Å; V25-L129 HydrophobicContact CG2-CD2 4.22Å
26S92.5Very high89.1Confident1 Ų132 Ų321%0.00719%0.19CC..  trans-144.8143.5176.4-175.10000109.8L28 I81 D110S26-L28 PolarHBondContact O-N 3.31Å; S26-I81 PolarHBondContact N-O 3.2Å; S26-D110 PolarHBondContact OG-OD2 3.11Å
27P84.7Confident89Confident7 Ų733.1 Ų33.15%0.04520%0.197CC..SBendtrans-77-20.2-164.428.5-34.4000114.7E111 Y126P27-E111 HydrophobicContact CG-CB 4.09Å; P27-Y126 WeakPolarHBondContact CA-OH 3.28Å; P27-Y126 HydrophobicContact CB-CE2 4.1Å; P27-Y126 WeakPolarHBondContact CB-OH 3.01Å; P27-Y126 WeakPolarHBondContact CD-OH 3.42Å; P27-Y126 VanDerWaalsContact N-OH 3.14Å
28L80.4Confident88.9Confident50 Ų5032.2 Ų32.226%0.26219%0.185SC..  trans-134.3141.6-174.1-70.2-169.9000114S26 A30 L31 I32 M293S26-L28 PolarHBondContact O-N 3.31Å; L28-A30 PolarHBondContact O-N 3.01Å; L28-L31 PolarHBondContact O-N 3.36Å; L28-I32 WeakPolarHBondContact O-CG1 3.49Å; L28-I32 PolarHBondContact O-N 3.31Å; L28-I32 VanDerWaalsContact O-N 3.1Å; L28-M293 HydrophobicContact CD1-CB 3.49Å; L28-M293 VanDerWaalsContact CD1-CB 3.49Å; L28-M293 HydrophobicContact CD1-CE 3.74Å; L28-M293 HydrophobicContact CD1-CG 4.2Å; L28-M293 HydrophobicContact CD1-SD 3.7Å; L28-M293 HydrophobicContact CG-CE 4.07Å
29L82.2Confident89.1Confident47 Ų4728.9 Ų28.925%0.24617%0.17CC..Hα-helixtrans-58.5-30.7171.9-53.5-175.3000113.4S33 N50 R52 T82L29-S33 WeakPolarHBondContact O-CB 3.48Å; L29-S33 PolarHBondContact O-N 3.36Å; L29-N50 HydrophobicContact CD2-CB 3.48Å; L29-N50 VanDerWaalsContact CD2-CB 3.48Å; L29-R52 HydrophobicContact CD1-CG 4.45Å; L29-T82 HydrophobicContact CD2-CG2 3.55Å
30A76.2Confident89.4Confident48 Ų4832.8 Ų32.840%0.39718%0.178SC..Hα-helixtrans-67-46.7178.500000111.7L28 S33 D34L28-A30 PolarHBondContact O-N 3.01Å; A30-S33 PolarHBondContact O-N 3.33Å; A30-D34 PolarHBondContact O-N 3.31Å
31L79.9Confident89.4Confident31 Ų3140.1 Ų40.116%0.16221%0.21CC..Hα-helixtrans-65.5-43.2177.7-174.855.9000111L28 S33 D34 Q35 D110 E111L28-L31 PolarHBondContact O-N 3.36Å; L31-S33 PolarHBondContact O-N 3.04Å; L31-D34 PolarHBondContact O-N 2.64Å; L31-Q35 HydrophobicContact CD1-CG 4.5Å; L31-Q35 WeakPolarHBondContact O-CG 3.32Å; L31-Q35 PolarHBondContact O-N 3.49Å; L31-Q35 VanDerWaalsContact O-N 3.08Å; L31-D110 WeakPolarHBondContact CD2-OD2 3.46Å; L31-E111 HydrophobicContact CD2-CG 4.47Å
32I87.6Confident89.4Confident4 Ų444.7 Ų44.72%0.02123%0.234CC..Hα-helixtrans-57.6-48172.1-67.1171.4000111.2L28 D34 Q35 L36 Y80 T82L28-I32 WeakPolarHBondContact O-CG1 3.49Å; L28-I32 PolarHBondContact O-N 3.31Å; L28-I32 VanDerWaalsContact O-N 3.1Å; I32-D34 VanDerWaalsContact C-N 3.35Å; I32-D34 PolarHBondContact O-N 3.35Å; I32-Q35 PolarHBondContact O-N 2.87Å; I32-L36 HydrophobicContact CG2-CD1 3.66Å; I32-L36 HydrophobicContact CG2-CG 4.18Å; I32-L36 WeakPolarHBondContact O-CB 3.42Å; I32-L36 VanDerWaalsContact O-CG 3.23Å; I32-L36 WeakPolarHBondContact O-CG 3.3Å; I32-L36 PolarHBondContact O-N 3.12Å; I32-Y80 HydrophobicContact CG1-CD1 4.15Å; I32-Y80 HydrophobicContact CG2-CD1 4.47Å; I32-Y80 HydrophobicContact CG2-CG 4.17Å; I32-T82 HydrophobicContact CD1-CG2 3.94Å
33S85.8Confident89.2Confident68 Ų6852.9 Ų52.948%0.47627%0.272SS..Hα-helixtrans-64.9-36.4-177.2-168.90000113.1L29 A30 L31 T37L29-S33 WeakPolarHBondContact O-CB 3.48Å; L29-S33 PolarHBondContact O-N 3.36Å; A30-S33 PolarHBondContact O-N 3.33Å; L31-S33 PolarHBondContact O-N 3.04Å; S33-T37 WeakPolarHBondContact O-CB 3.45Å; S33-T37 PolarHBondContact O-N 2.96Å; S33-T37 VanDerWaalsContact O-N 3.07Å; S33-T37 PolarHBondContact O-OG1 3.05Å
34D82.9Confident89.1Confident53 Ų5354.6 Ų54.628%0.28328%0.281SS..Hα-helixtrans-64.1-53.5173.117269000111.2A30 L31 I32 L36 T37 H38A30-D34 PolarHBondContact O-N 3.31Å; L31-D34 PolarHBondContact O-N 2.64Å; I32-D34 VanDerWaalsContact C-N 3.35Å; I32-D34 PolarHBondContact O-N 3.35Å; D34-L36 VanDerWaalsContact C-N 3.34Å; D34-L36 PolarHBondContact O-N 3.05Å; D34-T37 WeakPolarHBondContact O-CA 3.48Å; D34-T37 WeakPolarHBondContact O-CB 3.42Å; D34-T37 PolarHBondContact O-N 3.13Å; D34-H38 PolarHBondContact O-N 3.48Å
35Q89.4Confident88.9Confident18 Ų1860 Ų608%0.08430%0.301CS..Hα-helixtrans-62.8-37.7-178.9-63.4-61.1-77.100112.5S8 L31 I32 H38 L39 Y80S8-Q35 VanDerWaalsContact CB-OE1 3.26Å; S8-Q35 PolarHBondContact OG-OE1 3.39Å; L31-Q35 HydrophobicContact CD1-CG 4.5Å; L31-Q35 WeakPolarHBondContact O-CG 3.32Å; L31-Q35 PolarHBondContact O-N 3.49Å; L31-Q35 VanDerWaalsContact O-N 3.08Å; I32-Q35 PolarHBondContact O-N 2.87Å; Q35-H38 PolarHBondContact O-N 3.29Å; Q35-L39 WeakPolarHBondContact O-CB 3.11Å; Q35-L39 WeakPolarHBondContact O-CD1 3.41Å; Q35-L39 VanDerWaalsContact O-CG 3.24Å; Q35-L39 WeakPolarHBondContact O-CG 3.42Å; Q35-L39 PolarHBondContact O-N 3.28Å; Q35-Y80 HydrophobicContact CB-CE1 4.16Å
36L92.2Very high88.8Confident32 Ų3261 Ų6117%0.16831%0.309CS..Hα-helixtrans-63.8-39.4171.5-70.8173.1000112.3I32 D34 H38 L39 K40 A46 T48 Y80I32-L36 HydrophobicContact CG2-CD1 3.66Å; I32-L36 HydrophobicContact CG2-CG 4.18Å; I32-L36 WeakPolarHBondContact O-CB 3.42Å; I32-L36 VanDerWaalsContact O-CG 3.23Å; I32-L36 WeakPolarHBondContact O-CG 3.3Å; I32-L36 PolarHBondContact O-N 3.12Å; D34-L36 VanDerWaalsContact C-N 3.34Å; D34-L36 PolarHBondContact O-N 3.05Å; L36-H38 VanDerWaalsContact C-N 3.35Å; L36-L39 PolarHBondContact O-N 2.75Å; L36-K40 VanDerWaalsContact O-CB 3.23Å; L36-K40 WeakPolarHBondContact O-CB 3.18Å; L36-K40 PolarHBondContact O-N 3.2Å; L36-A46 HydrophobicContact CD2-CB 3.63Å; L36-T48 HydrophobicContact CD1-CG2 3.54Å; L36-Y80 HydrophobicContact CD2-CD2 3.75Å; L36-Y80 HydrophobicContact CD2-CE2 4.22Å; L36-Y80 HydrophobicContact CG-CD2 4.3Å
37T89.7Confident88.9Confident71 Ų7164.3 Ų64.344%0.43632%0.324SS..Hα-helixtrans-66.5-38.3177.3-60.20000111.3S33 D34 K41S33-T37 WeakPolarHBondContact O-CB 3.45Å; S33-T37 PolarHBondContact O-N 2.96Å; S33-T37 VanDerWaalsContact O-N 3.07Å; S33-T37 PolarHBondContact O-OG1 3.05Å; D34-T37 WeakPolarHBondContact O-CA 3.48Å; D34-T37 WeakPolarHBondContact O-CB 3.42Å; D34-T37 PolarHBondContact O-N 3.13Å; T37-K41 WeakPolarHBondContact O-CG 3.43Å; T37-K41 PolarHBondContact O-N 3.09Å
38H89.7Confident89.4Confident84 Ų8465.2 Ų65.239%0.38933%0.33SS..Hα-helixtrans-64.8-52.6172.8-179.8-117.4000112D34 Q35 L36 K40 K41 L42D34-H38 PolarHBondContact O-N 3.48Å; Q35-H38 PolarHBondContact O-N 3.29Å; L36-H38 VanDerWaalsContact C-N 3.35Å; H38-K40 VanDerWaalsContact C-N 3.29Å; H38-K40 PolarHBondContact O-N 3.11Å; H38-K41 WeakPolarHBondContact O-CB 3.32Å; H38-K41 PolarHBondContact O-N 3.28Å; H38-L42 PolarHBondContact O-N 2.69Å
39L94.3Very high90Very high1 Ų162.9 Ų62.91%0.00532%0.318CS..Hα-helixtrans-60.9-37.1-179.7-70.2166.2000112.3Q12 Q35 L36 K41 L42 H43 I44 A46 L78 Y80Q12-L39 HydrophobicContact CG-CD2 4.33Å; Q35-L39 WeakPolarHBondContact O-CB 3.11Å; Q35-L39 WeakPolarHBondContact O-CD1 3.41Å; Q35-L39 VanDerWaalsContact O-CG 3.24Å; Q35-L39 WeakPolarHBondContact O-CG 3.42Å; Q35-L39 PolarHBondContact O-N 3.28Å; L36-L39 PolarHBondContact O-N 2.75Å; L39-K41 PolarHBondContact O-N 2.94Å; L39-L42 CarbonylContact O-C 3.54Å; L39-L42 PolarHBondContact O-N 2.91Å; L39-L42 VanDerWaalsContact O-N 3.15Å; L39-H43 PolarHBondContact O-N 3.22Å; L39-I44 HydrophobicContact CB-CB 4.26Å; L39-I44 HydrophobicContact CD2-CB 4.07Å; L39-I44 HydrophobicContact CD2-CD1 3.71Å; L39-I44 HydrophobicContact CD2-CG2 4.01Å; L39-I44 PolarHBondContact O-N 3.41Å; L39-A46 HydrophobicContact CB-CB 4.26Å; L39-A46 HydrophobicContact CD1-CB 3.77Å; L39-L78 HydrophobicContact CD1-CD1 4.33Å; L39-L78 HydrophobicContact CD1-CD2 4.36Å; L39-Y80 HydrophobicContact CD1-CE2 3.7Å
40K94.1Very high90.3Very high167 Ų16761.7 Ų61.773%0.72631%0.312SS*.Hα-helixtrans-63-36.8173.9-175177.1179-178.50113L36 H38 L42 H43L36-K40 VanDerWaalsContact O-CB 3.23Å; L36-K40 WeakPolarHBondContact O-CB 3.18Å; L36-K40 PolarHBondContact O-N 3.2Å; H38-K40 VanDerWaalsContact C-N 3.29Å; H38-K40 PolarHBondContact O-N 3.11Å; K40-L42 VanDerWaalsContact C-N 3.31Å; K40-H43 PolarHBondContact O-N 3.36Å
41K93.4Very high90.8Very high156 Ų15663.4 Ų63.468%0.67832%0.321SS*.Hα-helixtrans-66.2-33.5173.5-70.5167.9-179.4176.40112T37 H38 L39 H43T37-K41 WeakPolarHBondContact O-CG 3.43Å; T37-K41 PolarHBondContact O-N 3.09Å; H38-K41 WeakPolarHBondContact O-CB 3.32Å; H38-K41 PolarHBondContact O-N 3.28Å; L39-K41 PolarHBondContact O-N 2.94Å; K41-H43 PolarHBondContact O-N 2.76Å
42L93.8Very high91Very high97 Ų9770.5 Ų70.551%0.50835%0.346SS..THydrogen-bonded Turntrans-81.66.7174-60.4179000113.6H38 L39 K40 I44H38-L42 PolarHBondContact O-N 2.69Å; L39-L42 CarbonylContact O-C 3.54Å; L39-L42 PolarHBondContact O-N 2.91Å; L39-L42 VanDerWaalsContact O-N 3.15Å; K40-L42 VanDerWaalsContact C-N 3.31Å; L42-I44 HydrophobicContact CB-CD1 3.87Å; L42-I44 HydrophobicContact CB-CG1 4.15Å; L42-I44 HydrophobicContact CD1-CD1 4.13Å; L42-I44 PolarHBondContact O-N 3.03Å; L42-I44 VanDerWaalsContact O-N 3.1Å
43H93.3Very high91Very high171 Ų17171 Ų7179%0.79235%0.349SS*.THydrogen-bonded Turntrans56.718.1-174.2-54-58.2000115.2L39 K40 K41L39-H43 PolarHBondContact O-N 3.22Å; K40-H43 PolarHBondContact O-N 3.36Å; K41-H43 PolarHBondContact O-N 2.76Å
44I94.1Very high91.1Very high41 Ų4169.9 Ų69.921%0.2134%0.344CS..  trans-80.5126174.6-63162.4000108.6V16 L39 L42 A46 L78V16-I44 HydrophobicContact CG2-CD1 4.05Å; V16-I44 HydrophobicContact CG2-CG1 4.21Å; V16-I44 HydrophobicContact CG2-CG2 3.72Å; L39-I44 HydrophobicContact CB-CB 4.26Å; L39-I44 HydrophobicContact CD2-CB 4.07Å; L39-I44 HydrophobicContact CD2-CD1 3.71Å; L39-I44 HydrophobicContact CD2-CG2 4.01Å; L39-I44 PolarHBondContact O-N 3.41Å; L42-I44 HydrophobicContact CB-CD1 3.87Å; L42-I44 HydrophobicContact CB-CG1 4.15Å; L42-I44 HydrophobicContact CD1-CD1 4.13Å; L42-I44 PolarHBondContact O-N 3.03Å; L42-I44 VanDerWaalsContact O-N 3.1Å; I44-A46 PolarHBondContact O-N 2.86Å; I44-L78 HydrophobicContact CG2-CD1 3.85Å
45R93.3Very high91.4Very high113 Ų11371.5 Ų71.543%0.42635%0.352SS..  trans-76.5109.1177.5-63.8-170-171.9-151.57.5110.3K73 S74 K77R45-K73 PolarHBondContact NE-O 3.01Å; R45-S74 VanDerWaalsContact CZ-CA 3.42Å; R45-S74 PolarHBondContact NH1-O 3.26Å; R45-S74 PolarHBondContact NH1-OG 2.88Å; R45-S74 PolarHBondContact NH2-OG 2.91Å; R45-K77 PolarHBondContact O-N 3.04Å
46A95.6Very high91.5Very high21 Ų2175.4 Ų75.417%0.17438%0.377CS..EExtended strand (participates in β ladder)trans-130.214017300000109.8L36 L39 I44 L78 Y80L36-A46 HydrophobicContact CD2-CB 3.63Å; L39-A46 HydrophobicContact CB-CB 4.26Å; L39-A46 HydrophobicContact CD1-CB 3.77Å; I44-A46 PolarHBondContact O-N 2.86Å; A46-L78 VanDerWaalsContact CA-O 3.3Å; A46-L78 WeakPolarHBondContact CA-O 3.45Å; A46-L78 HydrophobicContact CB-CB 3.97Å; A46-L78 HydrophobicContact CB-CD1 4.45Å; A46-Y80 HydrophobicContact CB-CE2 4.3Å
47E95Very high91.5Very high70 Ų7079 Ų7933%0.32739%0.393SS..EExtended strand (participates in β ladder)trans-124.9169.3-173.4-66.8-70.2174.800110.7L61 P76 L78 L79 Y80E47-L61 HydrophobicContact CB-CD1 3.79Å; E47-L61 HydrophobicContact CB-CD2 4.27Å; E47-L61 HydrophobicContact CG-CD1 3.73Å; E47-P76 HydrophobicContact CG-CB 4.01Å; E47-P76 HydrophobicContact CG-CG 4.08Å; E47-L78 PolarHBondContact N-O 2.8Å; E47-L79 HydrophobicContact CB-CD1 4.36Å; E47-Y80 PolarHBondContact O-N 3.35Å
48T94.8Very high91.6Very high27 Ų2777.6 Ų77.617%0.16638%0.38CS..EExtended strand (participates in β ladder)trans-142.5139.2176.5178.30000115.4L36 N50 T53 Y80L36-T48 HydrophobicContact CD1-CG2 3.54Å; T48-N50 WeakPolarHBondContact CG2-ND2 3.43Å; T48-N50 PolarHBondContact OG1-ND2 3.28Å; T48-T53 PolarHBondContact O-OG1 3.25Å; T48-Y80 WeakPolarHBondContact CA-O 3.48Å; T48-Y80 VanDerWaalsContact CB-O 3.3Å; T48-Y80 WeakPolarHBondContact CB-O 3.31Å; T48-Y80 PolarHBondContact OG1-O 2.76Å
49I92.6Very high91.8Very high1 Ų181.2 Ų81.21%0.00539%0.39CS..EExtended strand (participates in β ladder)trans-107.7111163.9-64.1161.9000107.4L61 L79 Y80 I81 Q85 F90 L94I49-L61 HydrophobicContact CD1-CD2 4.14Å; I49-L61 HydrophobicContact CG1-CD2 3.79Å; I49-L79 HydrophobicContact CD1-CD1 4.08Å; I49-L79 HydrophobicContact CD1-CD2 4.13Å; I49-L79 HydrophobicContact CG1-CD1 4.11Å; I49-Y80 PolarHBondContact N-O 2.87Å; I49-I81 HydrophobicContact CB-CD1 4.21Å; I49-I81 HydrophobicContact CB-CG1 4.31Å; I49-I81 HydrophobicContact CG2-CD1 4.29Å; I49-I81 WeakPolarHBondContact O-CA 3.44Å; I49-Q85 HydrophobicContact CG2-CB 4.3Å; I49-F90 HydrophobicContact CD1-CE1 3.96Å; I49-L94 HydrophobicContact CD1-CD2 3.57Å
50N89.2Confident91.7Very high21 Ų2188.2 Ų88.211%0.11242%0.421CS..  trans-135174.7173.362.679.1000110.5L29 T48 R52 T53 R58 T82 Q85L29-N50 HydrophobicContact CD2-CB 3.48Å; L29-N50 VanDerWaalsContact CD2-CB 3.48Å; T48-N50 WeakPolarHBondContact CG2-ND2 3.43Å; T48-N50 PolarHBondContact OG1-ND2 3.28Å; N50-R52 PolarHBondContact O-N 3.28Å; N50-R52 VanDerWaalsContact O-N 3.08Å; N50-R52 WeakPolarHBondContact OD1-CA 3.42Å; N50-R52 VanDerWaalsContact OD1-CB 3.29Å; N50-R52 WeakPolarHBondContact OD1-CB 3.35Å; N50-R52 PolarHBondContact OD1-N 3.17Å; N50-T53 PolarHBondContact N-OG1 3.46Å; N50-T53 PolarHBondContact ND2-OG1 2.82Å; N50-T53 WeakPolarHBondContact O-CB 3.32Å; N50-T53 PolarHBondContact O-N 2.94Å; N50-T53 PolarHBondContact O-OG1 2.96Å; N50-T53 PolarHBondContact OD1-N 2.8Å; N50-R58 PolarHBondContact O-NH2 3.26Å; N50-T82 HydrophobicContact CB-CG2 4.31Å; N50-Q85 PolarHBondContact O-OE1 3.46Å
51S85.9Confident91.7Very high84 Ų8480.7 Ų80.759%0.58739%0.388SS*.THydrogen-bonded Turntrans-64.1-12.2-178.754.10000114.7
52R84.1Confident91.6Very high181 Ų18175.7 Ų75.768%0.68337%0.367SS*.THydrogen-bonded Turntrans-98.2-8.7174.1-50.6178.7-179.7169.40.5113.5L29 N50 A54L29-R52 HydrophobicContact CD1-CG 4.45Å; N50-R52 PolarHBondContact O-N 3.28Å; N50-R52 VanDerWaalsContact O-N 3.08Å; N50-R52 WeakPolarHBondContact OD1-CA 3.42Å; N50-R52 VanDerWaalsContact OD1-CB 3.29Å; N50-R52 WeakPolarHBondContact OD1-CB 3.35Å; N50-R52 PolarHBondContact OD1-N 3.17Å; R52-A54 PolarHBondContact O-N 3.26Å
53T86.7Confident91.5Very high14 Ų1477 Ų779%0.08637%0.37CS..SBendtrans-69.6118.5177.2-520000109.4T48 N50 Q57 R58T48-T53 PolarHBondContact O-OG1 3.25Å; N50-T53 PolarHBondContact N-OG1 3.46Å; N50-T53 PolarHBondContact ND2-OG1 2.82Å; N50-T53 WeakPolarHBondContact O-CB 3.32Å; N50-T53 PolarHBondContact O-N 2.94Å; N50-T53 PolarHBondContact O-OG1 2.96Å; N50-T53 PolarHBondContact OD1-N 2.8Å; T53-Q57 HydrophobicContact CG2-CB 3.8Å; T53-R58 HydrophobicContact CG2-CG 3.85Å; T53-R58 PolarHBondContact O-NE 3.45Å; T53-R58 PolarHBondContact O-NH1 3.03Å; T53-R58 PolarHBondContact O-NH2 2.69Å
54A89.6Confident91.5Very high45 Ų4570.9 Ų70.937%0.37234%0.342SS..  trans-69.9152.1-178.100000112R52 T56 Q57 R58R52-A54 PolarHBondContact O-N 3.26Å; A54-T56 PolarHBondContact O-N 2.99Å; A54-T56 VanDerWaalsContact O-N 3.17Å; A54-Q57 HydrophobicContact CB-CG 4.33Å; A54-Q57 CarbonylContact O-C 3.58Å; A54-Q57 WeakPolarHBondContact O-CA 3.38Å; A54-Q57 VanDerWaalsContact O-CB 3.32Å; A54-Q57 WeakPolarHBondContact O-CB 3.32Å; A54-Q57 PolarHBondContact O-N 3.33Å; A54-R58 PolarHBondContact O-N 3.1Å
55D89.2Confident91.4Very high87 Ų8769.1 Ų69.147%0.46533%0.333SS..Hα-helixtrans-65.3-23.8-176.7-63-49.2000114.1R58 R59D55-R58 IonicContact OD1-CZ 3.16Å; D55-R58 IonicContact OD1-NH1 3.25Å; D55-R58 PolarHBondContact OD1-NH1 3.31Å; D55-R59 WeakPolarHBondContact O-CB 3.29Å; D55-R59 WeakPolarHBondContact O-CG 3.31Å; D55-R59 PolarHBondContact O-N 2.75Å; D55-R59 PolarHBondContact O-NE 3.04Å; D55-R59 VanDerWaalsContact O-NE 3.13Å
56T91.5Very high91.3Very high99 Ų9965.3 Ų65.361%0.60732%0.32SS*.Hα-helixtrans-64.8-41.3167.748.90000111.8A54 K60A54-T56 PolarHBondContact O-N 2.99Å; A54-T56 VanDerWaalsContact O-N 3.17Å; T56-K60 WeakPolarHBondContact O-CB 3.16Å; T56-K60 PolarHBondContact O-N 3.5Å
57Q91.6Very high91Very high108 Ų10867.7 Ų67.751%0.50534%0.336SS..Hα-helixtrans-70.4-43.1174.7-62.4169.4-27.400111.3T53 A54 R59 K60 L61T53-Q57 HydrophobicContact CG2-CB 3.8Å; A54-Q57 HydrophobicContact CB-CG 4.33Å; A54-Q57 CarbonylContact O-C 3.58Å; A54-Q57 WeakPolarHBondContact O-CA 3.38Å; A54-Q57 VanDerWaalsContact O-CB 3.32Å; A54-Q57 WeakPolarHBondContact O-CB 3.32Å; A54-Q57 PolarHBondContact O-N 3.33Å; Q57-R59 PolarHBondContact O-N 3.1Å; Q57-K60 PolarHBondContact O-N 2.96Å; Q57-L61 WeakPolarHBondContact O-CB 3.48Å; Q57-L61 PolarHBondContact O-N 3.15Å
58R92.6Very high90.7Very high42 Ų4265.7 Ų65.716%0.15833%0.328CS..Hα-helixtrans-56.4-49.5174.7-67.9-174178.2123.1-0.7111.4N50 T53 A54 D55 L61 F62 F90N50-R58 PolarHBondContact O-NH2 3.26Å; T53-R58 HydrophobicContact CG2-CG 3.85Å; T53-R58 PolarHBondContact O-NE 3.45Å; T53-R58 PolarHBondContact O-NH1 3.03Å; T53-R58 PolarHBondContact O-NH2 2.69Å; A54-R58 PolarHBondContact O-N 3.1Å; D55-R58 IonicContact OD1-CZ 3.16Å; D55-R58 IonicContact OD1-NH1 3.25Å; D55-R58 PolarHBondContact OD1-NH1 3.31Å; R58-L61 PolarHBondContact O-N 3.13Å; R58-F62 WeakPolarHBondContact O-CB 3.5Å; R58-F62 PolarHBondContact O-N 2.92Å; R58-F90 HydrophobicContact CB-CE1 3.9Å; R58-F90 HydrophobicContact CB-CE2 4.28Å; R58-F90 HydrophobicContact CB-CZ 3.74Å; R58-F90 HydrophobicContact CG-CE1 4.22Å; R58-F90 WeakPolarHBondContact O-CZ 3.37Å
59R92.2Very high90.3Very high159 Ų15968.9 Ų68.960%0.635%0.349SS*.Hα-helixtrans-65.2-38.3176.8-74.2179-70.8-131.21.1113D55 Q57 F62 H63D55-R59 WeakPolarHBondContact O-CB 3.29Å; D55-R59 WeakPolarHBondContact O-CG 3.31Å; D55-R59 PolarHBondContact O-N 2.75Å; D55-R59 PolarHBondContact O-NE 3.04Å; D55-R59 VanDerWaalsContact O-NE 3.13Å; Q57-R59 PolarHBondContact O-N 3.1Å; R59-F62 PolarHBondContact O-N 3.28Å; R59-H63 PolarHBondContact O-N 3.35Å
60K93.1Very high89.9Confident148 Ų14872.6 Ų72.664%0.64337%0.369SS*.Hα-helixtrans-62.4-46174.1-174.9-178.1177.7-177.10111.7T56 Q57 H63 Q64T56-K60 WeakPolarHBondContact O-CB 3.16Å; T56-K60 PolarHBondContact O-N 3.5Å; Q57-K60 PolarHBondContact O-N 2.96Å; K60-H63 PolarHBondContact O-N 3.5Å; K60-Q64 VanDerWaalsContact O-CB 3.3Å; K60-Q64 WeakPolarHBondContact O-CB 3.4Å; K60-Q64 PolarHBondContact O-N 3.44Å
61L93Very high89.4Confident9 Ų974.5 Ų74.55%0.04739%0.393CS..Hα-helixtrans-63.1-43.5177.5177.960.6000111.6E47 I49 Q57 R58 Q64 L65 L79E47-L61 HydrophobicContact CB-CD1 3.79Å; E47-L61 HydrophobicContact CB-CD2 4.27Å; E47-L61 HydrophobicContact CG-CD1 3.73Å; I49-L61 HydrophobicContact CD1-CD2 4.14Å; I49-L61 HydrophobicContact CG1-CD2 3.79Å; Q57-L61 WeakPolarHBondContact O-CB 3.48Å; Q57-L61 PolarHBondContact O-N 3.15Å; R58-L61 PolarHBondContact O-N 3.13Å; L61-Q64 PolarHBondContact O-N 3.15Å; L61-L65 HydrophobicContact CD1-CD1 3.87Å; L61-L65 HydrophobicContact CD1-CG 4.04Å; L61-L65 HydrophobicContact CG-CD1 3.91Å; L61-L65 HydrophobicContact CG-CG 4.47Å; L61-L65 WeakPolarHBondContact O-CB 3.26Å; L61-L65 VanDerWaalsContact O-CG 3.31Å; L61-L65 WeakPolarHBondContact O-CG 3.4Å; L61-L65 PolarHBondContact O-N 2.88Å; L61-L79 HydrophobicContact CD2-CD1 3.95Å
62F93.1Very high89.4Confident52 Ų5272.7 Ų72.723%0.22838%0.381CS..Hα-helixtrans-56.5-51.6174.1-173.1-79.4000111.4R58 R59 Q64 L65 M66 F90 T93 L94R58-F62 WeakPolarHBondContact O-CB 3.5Å; R58-F62 PolarHBondContact O-N 2.92Å; R59-F62 PolarHBondContact O-N 3.28Å; F62-Q64 PolarHBondContact O-N 3.45Å; F62-L65 PolarHBondContact O-N 3.4Å; F62-M66 HydrophobicContact CD1-CG 4.26Å; F62-M66 HydrophobicContact CE1-CG 4.16Å; F62-M66 WeakPolarHBondContact O-CB 3.29Å; F62-M66 VanDerWaalsContact O-CG 3.26Å; F62-M66 WeakPolarHBondContact O-CG 3.11Å; F62-M66 PolarHBondContact O-N 2.87Å; F62-F90 HydrophobicContact CB-CE2 4.23Å; F62-F90 HydrophobicContact CB-CZ 4.12Å; F62-F90 AromaticContact CD2-CE2 3.78Å; F62-F90 HydrophobicContact CD2-CE2 3.78Å; F62-F90 HydrophobicContact CD2-CZ 4.07Å; F62-F90 HydrophobicContact CG-CE2 4.35Å; F62-T93 HydrophobicContact CE2-CG2 4.44Å; F62-L94 HydrophobicContact CD2-CB 4.03Å; F62-L94 HydrophobicContact CD2-CD1 3.74Å; F62-L94 HydrophobicContact CD2-CG 4.4Å; F62-L94 HydrophobicContact CE2-CB 4.16Å; F62-L94 HydrophobicContact CE2-CD1 4.25Å; F62-L94 HydrophobicContact CG-CD1 4.36Å
63H92Very high89.3Confident125 Ų12573.6 Ų73.658%0.57939%0.39SS*.Hα-helixtrans-59.3-47.3175.8-173.2-52.2000111.5R59 K60 L65 M66 S67R59-H63 PolarHBondContact O-N 3.35Å; K60-H63 PolarHBondContact O-N 3.5Å; H63-L65 VanDerWaalsContact C-N 3.33Å; H63-L65 PolarHBondContact O-N 3.31Å; H63-M66 PolarHBondContact O-N 2.91Å; H63-M66 VanDerWaalsContact O-N 3.13Å; H63-S67 PolarHBondContact CE1-OG 3.42Å; H63-S67 PolarHBondContact ND1-OG 2.95Å; H63-S67 WeakPolarHBondContact O-CB 3.39Å; H63-S67 PolarHBondContact O-N 3.18Å; H63-S67 PolarHBondContact O-OG 3.17Å
64Q92.1Very high89.3Confident42 Ų4275.2 Ų75.220%0.19640%0.401CS..Hα-helixtrans-58-43.3180179.7176.9-32.100112.1K60 L61 F62 M66 T68K60-Q64 VanDerWaalsContact O-CB 3.3Å; K60-Q64 WeakPolarHBondContact O-CB 3.4Å; K60-Q64 PolarHBondContact O-N 3.44Å; L61-Q64 PolarHBondContact O-N 3.15Å; F62-Q64 PolarHBondContact O-N 3.45Å; Q64-M66 VanDerWaalsContact C-N 3.34Å; Q64-T68 WeakPolarHBondContact O-CB 3.5Å; Q64-T68 PolarHBondContact O-N 2.98Å; Q64-T68 VanDerWaalsContact O-N 3.15Å; Q64-T68 PolarHBondContact O-OG1 3.39Å
65L92.6Very high89.4Confident3 Ų373.4 Ų73.42%0.01639%0.385CS..Hα-helixtrans-70.5-27.7177.5-70.5170.3000113.4I21 L61 F62 H63 Y75 P76 L79 L94 L98I21-L65 HydrophobicContact CD1-CD2 3.58Å; L61-L65 HydrophobicContact CD1-CD1 3.87Å; L61-L65 HydrophobicContact CD1-CG 4.04Å; L61-L65 HydrophobicContact CG-CD1 3.91Å; L61-L65 HydrophobicContact CG-CG 4.47Å; L61-L65 WeakPolarHBondContact O-CB 3.26Å; L61-L65 VanDerWaalsContact O-CG 3.31Å; L61-L65 WeakPolarHBondContact O-CG 3.4Å; L61-L65 PolarHBondContact O-N 2.88Å; F62-L65 PolarHBondContact O-N 3.4Å; H63-L65 VanDerWaalsContact C-N 3.33Å; H63-L65 PolarHBondContact O-N 3.31Å; L65-Y75 HydrophobicContact CD2-CE1 4.42Å; L65-Y75 PolarHBondContact O-OH 2.97Å; L65-P76 HydrophobicContact CD2-CB 4.23Å; L65-P76 HydrophobicContact CD2-CG 3.88Å; L65-L79 HydrophobicContact CD1-CD2 4.42Å; L65-L94 HydrophobicContact CD1-CD1 4.03Å; L65-L94 HydrophobicContact CD1-CD2 4.32Å; L65-L98 HydrophobicContact CB-CD2 4.34Å
66M91.2Very high89.6Confident34 Ų3469.2 Ų69.217%0.16736%0.363CS..Hα-helixtrans-92.4-23.2-178.4-68.2-58.6152.200114.8F62 H63 Q64 L94 Q97 L98 K101F62-M66 HydrophobicContact CD1-CG 4.26Å; F62-M66 HydrophobicContact CE1-CG 4.16Å; F62-M66 WeakPolarHBondContact O-CB 3.29Å; F62-M66 VanDerWaalsContact O-CG 3.26Å; F62-M66 WeakPolarHBondContact O-CG 3.11Å; F62-M66 PolarHBondContact O-N 2.87Å; H63-M66 PolarHBondContact O-N 2.91Å; H63-M66 VanDerWaalsContact O-N 3.13Å; Q64-M66 VanDerWaalsContact C-N 3.34Å; M66-L94 HydrophobicContact CE-CD1 3.85Å; M66-Q97 HydrophobicContact CE-CB 3.39Å; M66-Q97 HydrophobicContact SD-CB 3.88Å; M66-L98 HydrophobicContact CE-CD2 3.97Å; M66-L98 HydrophobicContact CE-CG 3.83Å; M66-K101 PolarHBondContact O-NZ 2.6Å; M66-K101 HydrophobicContact SD-CD 3.87Å; M66-K101 PolarHBondContact SD-NZ 3.44Å
67S90Very high89.8Confident71 Ų7166.5 Ų66.550%0.49734%0.342SS..Hα-helixtrans-107.7-16.5-17777.50000114.7H63H63-S67 PolarHBondContact CE1-OG 3.42Å; H63-S67 PolarHBondContact ND1-OG 2.95Å; H63-S67 WeakPolarHBondContact O-CB 3.39Å; H63-S67 PolarHBondContact O-N 3.18Å; H63-S67 PolarHBondContact O-OG 3.17Å
68T88.3Confident90Very high27 Ų2761.3 Ų61.317%0.16632%0.318CS..SBendtrans-82.5125.8177.7-54.80000109.4Q64 Y75Q64-T68 WeakPolarHBondContact O-CB 3.5Å; Q64-T68 PolarHBondContact O-N 2.98Å; Q64-T68 VanDerWaalsContact O-N 3.15Å; Q64-T68 PolarHBondContact O-OG1 3.39Å; T68-Y75 HydrophobicContact CG2-CD2 3.94Å; T68-Y75 WeakPolarHBondContact O-CD2 3.46Å; T68-Y75 WeakPolarHBondContact O-CE2 3.07Å
69P86.3Confident90.3Very high94 Ų9459.4 Ų59.461%0.6131%0.311SS*.PPolyproline II helixtrans-58139.9177.7-26.835.7000113S72P69-S72 WeakPolarHBondContact O-CB 3.24Å; P69-S72 PolarHBondContact O-N 3.26Å; P69-S72 VanDerWaalsContact O-N 3.1Å
70L83.9Confident90.5Very high80 Ų8051.9 Ų51.942%0.41928%0.282SS..THydrogen-bonded Turntrans-59.2137.4174.8-163.364.6000109.9P19 S72 Y75 C103P19-L70 HydrophobicContact CB-CD2 4.38Å; P19-L70 HydrophobicContact CB-CG 4.34Å; L70-S72 PolarHBondContact O-N 3.49Å; L70-Y75 HydrophobicContact CD1-CE1 4.34Å; L70-C103 HydrophobicContact CD1-CB 4.35Å
71G78.2Confident90.6Very high61 Ų6144.9 Ų44.963%0.62925%0.252SS*.THydrogen-bonded Turntrans80.6-9.5-17500000115.3K73G71-K73 PolarHBondContact O-N 3.21Å
72S85.7Confident90.6Very high46 Ų4644.8 Ų44.832%0.32225%0.252SS..  trans-59.5138.7171.2-178.70000111.5P69 L70 S74 Y75P69-S72 WeakPolarHBondContact O-CB 3.24Å; P69-S72 PolarHBondContact O-N 3.26Å; P69-S72 VanDerWaalsContact O-N 3.1Å; L70-S72 PolarHBondContact O-N 3.49Å; S72-S74 PolarHBondContact O-N 3.22Å; S72-S74 PolarHBondContact OG-N 2.91Å; S72-S74 VanDerWaalsContact OG-N 3.15Å; S72-Y75 WeakPolarHBondContact O-CB 3.19Å; S72-Y75 PolarHBondContact O-N 3.41Å
73K83.5Confident90.6Very high200 Ų20042.3 Ų42.387%0.8724%0.241SC*.THydrogen-bonded Turntrans-59-9.6168.9-169.5171.6-179.6177.10113R45 G71R45-K73 PolarHBondContact NE-O 3.01Å; G71-K73 PolarHBondContact O-N 3.21Å
74S86.4Confident90.6Very high47 Ų4740.5 Ų40.533%0.32923%0.233SC..THydrogen-bonded Turntrans-90.2-11.9171.8-77.80000116R45 S72R45-S74 VanDerWaalsContact CZ-CA 3.42Å; R45-S74 PolarHBondContact NH1-O 3.26Å; R45-S74 PolarHBondContact NH1-OG 2.88Å; R45-S74 PolarHBondContact NH2-OG 2.91Å; S72-S74 PolarHBondContact O-N 3.22Å; S72-S74 PolarHBondContact OG-N 2.91Å; S72-S74 VanDerWaalsContact OG-N 3.15Å
75Y91.2Very high90.7Very high7 Ų739.7 Ų39.73%0.02723%0.229CC..SBendtrans-71.8130.2-178.7-154.5-95.3000111.3I21 L65 T68 L70 S72 L98I21-Y75 HydrophobicContact CB-CE1 4.01Å; I21-Y75 HydrophobicContact CG2-CE1 4.33Å; L65-Y75 HydrophobicContact CD2-CE1 4.42Å; L65-Y75 PolarHBondContact O-OH 2.97Å; T68-Y75 HydrophobicContact CG2-CD2 3.94Å; T68-Y75 WeakPolarHBondContact O-CD2 3.46Å; T68-Y75 WeakPolarHBondContact O-CE2 3.07Å; L70-Y75 HydrophobicContact CD1-CE1 4.34Å; S72-Y75 WeakPolarHBondContact O-CB 3.19Å; S72-Y75 PolarHBondContact O-N 3.41Å; Y75-L98 WeakPolarHBondContact OH-CD2 3.21Å
76P93.5Very high90.8Very high0 Ų039.6 Ų39.60%023%0.229CC..  trans-64.7132.2171.6-19.532.7000111.3I21 E47 L65I21-P76 WeakPolarHBondContact CB-O 3.48Å; I21-P76 HydrophobicContact CD1-CB 3.94Å; I21-P76 WeakPolarHBondContact CD1-O 3.47Å; I21-P76 WeakPolarHBondContact CG1-O 3.24Å; E47-P76 HydrophobicContact CG-CB 4.01Å; E47-P76 HydrophobicContact CG-CG 4.08Å; L65-P76 HydrophobicContact CD2-CB 4.23Å; L65-P76 HydrophobicContact CD2-CG 3.88Å
77K95.4Very high90.8Very high41 Ų4142.4 Ų42.418%0.17824%0.241CC..SBendtrans-93.7-22.1-177.8-72.8-68.1-169.11420113.6V16 H18 G20 A22 R45V16-K77 HydrophobicContact CG2-CB 4.42Å; V16-K77 WeakPolarHBondContact O-CE 3.42Å; V16-K77 PolarHBondContact O-NZ 3Å; H18-K77 PolarHBondContact O-NZ 3.45Å; G20-K77 WeakPolarHBondContact O-CD 3.37Å; A22-K77 PolarHBondContact N-O 2.91Å; R45-K77 PolarHBondContact O-N 3.04Å
78L96.9Very high91Very high0 Ų040.7 Ų40.70%023%0.228CC..EExtended strand (participates in β ladder)trans-135.5140.7176.2-58.194.5000111.4F11 Q12 V16 A22 V24 L39 I44 A46 E47 Y80F11-L78 HydrophobicContact CD2-CD2 4.14Å; F11-L78 HydrophobicContact CE2-CD2 3.9Å; Q12-L78 HydrophobicContact CG-CD2 3.88Å; V16-L78 HydrophobicContact CG2-CD1 4.35Å; A22-L78 WeakPolarHBondContact O-CA 3.48Å; V24-L78 HydrophobicContact CG2-CD2 4.14Å; L39-L78 HydrophobicContact CD1-CD1 4.33Å; L39-L78 HydrophobicContact CD1-CD2 4.36Å; I44-L78 HydrophobicContact CG2-CD1 3.85Å; A46-L78 VanDerWaalsContact CA-O 3.3Å; A46-L78 WeakPolarHBondContact CA-O 3.45Å; A46-L78 HydrophobicContact CB-CB 3.97Å; A46-L78 HydrophobicContact CB-CD1 4.45Å; E47-L78 PolarHBondContact N-O 2.8Å; L78-Y80 HydrophobicContact CB-CD2 4.42Å; L78-Y80 HydrophobicContact CB-CE2 4.02Å; L78-Y80 HydrophobicContact CD2-CE2 4.22Å
79L96.8Very high91.2Very high1 Ų143.6 Ų43.61%0.00525%0.247CC..EExtended strand (participates in β ladder)trans-123.4104.5174.2176.455000109.9I21 A22 L23 V24 E47 I49 L61 L65 L94I21-L79 HydrophobicContact CD1-CB 3.66Å; I21-L79 HydrophobicContact CG1-CB 4.08Å; A22-L79 PolarHBondContact O-N 3.48Å; L23-L79 HydrophobicContact CD1-CB 4.48Å; L23-L79 HydrophobicContact CD1-CD2 4.09Å; L23-L79 HydrophobicContact CD1-CG 4.15Å; V24-L79 PolarHBondContact N-O 3.2Å; E47-L79 HydrophobicContact CB-CD1 4.36Å; I49-L79 HydrophobicContact CD1-CD1 4.08Å; I49-L79 HydrophobicContact CD1-CD2 4.13Å; I49-L79 HydrophobicContact CG1-CD1 4.11Å; L61-L79 HydrophobicContact CD2-CD1 3.95Å; L65-L79 HydrophobicContact CD1-CD2 4.42Å; L79-L94 HydrophobicContact CD2-CD2 4.21Å
80Y96.6Very high91.5Very high1 Ų141.9 Ų41.90%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-84.2124.9178.5-74.8-94.3000111.7F11 Q12 V24 I32 Q35 L36 L39 A46 E47 T48 I49 L78F11-Y80 HydrophobicContact CZ-CE1 4.39Å; Q12-Y80 PolarHBondContact NE2-OH 2.9Å; V24-Y80 HydrophobicContact CB-CD1 3.91Å; V24-Y80 HydrophobicContact CB-CE1 4.04Å; V24-Y80 HydrophobicContact CB-CG 4.29Å; V24-Y80 HydrophobicContact CG1-CD1 3.65Å; V24-Y80 HydrophobicContact CG1-CE1 3.49Å; V24-Y80 VanDerWaalsContact CG1-CE1 3.49Å; V24-Y80 CarbonylContact O-C 3.56Å; V24-Y80 WeakPolarHBondContact O-CA 3.45Å; I32-Y80 HydrophobicContact CG1-CD1 4.15Å; I32-Y80 HydrophobicContact CG2-CD1 4.47Å; I32-Y80 HydrophobicContact CG2-CG 4.17Å; Q35-Y80 HydrophobicContact CB-CE1 4.16Å; L36-Y80 HydrophobicContact CD2-CD2 3.75Å; L36-Y80 HydrophobicContact CD2-CE2 4.22Å; L36-Y80 HydrophobicContact CG-CD2 4.3Å; L39-Y80 HydrophobicContact CD1-CE2 3.7Å; A46-Y80 HydrophobicContact CB-CE2 4.3Å; E47-Y80 PolarHBondContact O-N 3.35Å; T48-Y80 WeakPolarHBondContact CA-O 3.48Å; T48-Y80 VanDerWaalsContact CB-O 3.3Å; T48-Y80 WeakPolarHBondContact CB-O 3.31Å; T48-Y80 PolarHBondContact OG1-O 2.76Å; I49-Y80 PolarHBondContact N-O 2.87Å; L78-Y80 HydrophobicContact CB-CD2 4.42Å; L78-Y80 HydrophobicContact CB-CE2 4.02Å; L78-Y80 HydrophobicContact CD2-CE2 4.22Å
81I95.7Very high91.9Very high1 Ų138 Ų381%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-132.8146.8-176.8-163.9160.1000111.1L23 V24 V25 S26 I49 Q85 L86 S91L23-I81 HydrophobicContact CD1-CB 4.43Å; L23-I81 HydrophobicContact CD1-CG2 3.79Å; L23-I81 HydrophobicContact CG-CG2 4.41Å; V24-I81 PolarHBondContact O-N 3.27Å; V25-I81 WeakPolarHBondContact CA-O 3.35Å; V25-I81 HydrophobicContact CG2-CG2 4.08Å; S26-I81 PolarHBondContact N-O 3.2Å; I49-I81 HydrophobicContact CB-CD1 4.21Å; I49-I81 HydrophobicContact CB-CG1 4.31Å; I49-I81 HydrophobicContact CG2-CD1 4.29Å; I49-I81 WeakPolarHBondContact O-CA 3.44Å; I81-Q85 HydrophobicContact CD1-CB 4.32Å; I81-Q85 HydrophobicContact CG1-CB 3.9Å; I81-L86 HydrophobicContact CD1-CB 4.05Å; I81-L86 HydrophobicContact CD1-CD1 4.21Å; I81-L86 HydrophobicContact CG1-CB 4.27Å; I81-L86 HydrophobicContact CG2-CB 4.36Å; I81-S91 WeakPolarHBondContact CD1-OG 3.3Å
82T93.4Very high92.6Very high7 Ų737 Ų374%0.04319%0.193CC..  trans-86.7148.8169.2810000109.6L29 I32 N50 E84 Q85 L86L29-T82 HydrophobicContact CD2-CG2 3.55Å; I32-T82 HydrophobicContact CD1-CG2 3.94Å; N50-T82 HydrophobicContact CB-CG2 4.31Å; T82-E84 WeakPolarHBondContact CB-OE2 3.16Å; T82-E84 PolarHBondContact O-N 2.84Å; T82-E84 VanDerWaalsContact O-N 3.15Å; T82-E84 PolarHBondContact OG1-OE2 2.83Å; T82-Q85 PolarHBondContact O-N 2.89Å; T82-L86 PolarHBondContact O-N 3.05Å
83P93Very high92.9Very high0 Ų038.2 Ų38.20%020%0.199CC..Hα-helixtrans-62.1-26.3-174.228.1-38.2000113V25 Q87 A125 Y126 L129V25-P83 HydrophobicContact CG1-CB 4.03Å; P83-Q87 PolarHBondContact O-N 2.95Å; P83-Q87 PolarHBondContact O-NE2 2.82Å; P83-A125 HydrophobicContact CB-CB 3.88Å; P83-A125 HydrophobicContact CG-CB 3.85Å; P83-Y126 HydrophobicContact CB-CD2 4.29Å; P83-Y126 HydrophobicContact CB-CE2 4.26Å; P83-Y126 HydrophobicContact CG-CD2 3.99Å; P83-Y126 HydrophobicContact CG-CE2 3.68Å; P83-L129 HydrophobicContact CB-CD2 4.29Å
84E93Very high93.4Very high87 Ų8728.8 Ų28.841%0.40716%0.158SC..Hα-helixtrans-72.9-30.1175-45.777.1-169.700112.3T82 A125T82-E84 WeakPolarHBondContact CB-OE2 3.16Å; T82-E84 PolarHBondContact O-N 2.84Å; T82-E84 VanDerWaalsContact O-N 3.15Å; T82-E84 PolarHBondContact OG1-OE2 2.83Å; E84-A125 HydrophobicContact CG-CB 4.21Å
85Q93.2Very high93.8Very high26 Ų2626.6 Ų26.612%0.12114%0.143CC..Hα-helixtrans-81.3-33.4175.8-67.9-70-91.300111.9I49 N50 I81 T82 Q87 T88 S91I49-Q85 HydrophobicContact CG2-CB 4.3Å; N50-Q85 PolarHBondContact O-OE1 3.46Å; I81-Q85 HydrophobicContact CD1-CB 4.32Å; I81-Q85 HydrophobicContact CG1-CB 3.9Å; T82-Q85 PolarHBondContact O-N 2.89Å; Q85-Q87 PolarHBondContact O-N 2.66Å; Q85-T88 WeakPolarHBondContact O-CB 3.32Å; Q85-T88 WeakPolarHBondContact O-CG2 3.39Å; Q85-T88 PolarHBondContact O-N 2.89Å; Q85-T88 PolarHBondContact O-OG1 3.15Å; Q85-S91 WeakPolarHBondContact O-CB 3.24Å; Q85-S91 PolarHBondContact O-OG 2.9Å; Q85-S91 VanDerWaalsContact O-OG 3.1Å
86L94Very high93.9Very high1 Ų128.1 Ų28.11%0.00515%0.154CC..Hα-helixtrans-58.7-32.3173.8-177.462000112.3L23 V25 I81 T82 T88 I95 F107 L129 I132L23-L86 HydrophobicContact CD2-CD1 3.95Å; V25-L86 HydrophobicContact CG2-CD2 3.79Å; I81-L86 HydrophobicContact CD1-CB 4.05Å; I81-L86 HydrophobicContact CD1-CD1 4.21Å; I81-L86 HydrophobicContact CG1-CB 4.27Å; I81-L86 HydrophobicContact CG2-CB 4.36Å; T82-L86 PolarHBondContact O-N 3.05Å; L86-T88 PolarHBondContact O-N 3.37Å; L86-I95 HydrophobicContact CD1-CD1 3.22Å; L86-F107 HydrophobicContact CD2-CE2 4.03Å; L86-F107 HydrophobicContact CD2-CZ 4.26Å; L86-L129 HydrophobicContact CD2-CD2 3.51Å; L86-I132 HydrophobicContact CD1-CG2 4.49Å; L86-I132 HydrophobicContact CD2-CD1 4.32Å; L86-I132 HydrophobicContact CD2-CG2 4.32Å; L86-I132 HydrophobicContact CG-CD1 4.16Å; L86-I132 HydrophobicContact CG-CG2 4.26Å
87Q92.3Very high93.9Very high93 Ų9331 Ų3144%0.43517%0.167SC..THydrogen-bonded Turntrans-73.6-1.9175-75167.688.200114.5P83 Q85 A128 I132P83-Q87 PolarHBondContact O-N 2.95Å; P83-Q87 PolarHBondContact O-NE2 2.82Å; Q85-Q87 PolarHBondContact O-N 2.66Å; Q87-A128 HydrophobicContact CG-CB 3.98Å; Q87-I132 HydrophobicContact CG-CD1 3.71Å
88T93Very high93.8Very high35 Ų3529.2 Ų29.222%0.21516%0.16CC..SBendtrans-79.7153-17965.90000112.9Q85 L86 F90 S91 S92Q85-T88 WeakPolarHBondContact O-CB 3.32Å; Q85-T88 WeakPolarHBondContact O-CG2 3.39Å; Q85-T88 PolarHBondContact O-N 2.89Å; Q85-T88 PolarHBondContact O-OG1 3.15Å; L86-T88 PolarHBondContact O-N 3.37Å; T88-F90 VanDerWaalsContact C-N 3.31Å; T88-F90 PolarHBondContact O-N 2.84Å; T88-S91 PolarHBondContact O-N 2.96Å; T88-S91 WeakPolarHBondContact OG1-CB 3.41Å; T88-S91 PolarHBondContact OG1-N 2.84Å; T88-S91 PolarHBondContact OG1-OG 3.13Å; T88-S92 PolarHBondContact O-N 2.66Å; T88-S92 PolarHBondContact O-OG 3.2Å
89P92.2Very high93.7Very high88 Ų8832.6 Ų32.657%0.57117%0.173SC*.Hα-helixtrans-57.7-40.5173.3-26.435.4000113.1S91 S92 T93P89-S91 PolarHBondContact O-N 3.38Å; P89-S92 WeakPolarHBondContact O-CB 3.35Å; P89-S92 PolarHBondContact O-N 3Å; P89-T93 PolarHBondContact O-N 3.31Å; P89-T93 PolarHBondContact O-OG1 3.34Å
90F92.6Very high93.5Very high57 Ų5739 Ų3925%0.2520%0.203CC..Hα-helixtrans-59.4-47.9177.5171.5-97.6000112.2I49 R58 F62 T88 S92 T93 L94I49-F90 HydrophobicContact CD1-CE1 3.96Å; R58-F90 HydrophobicContact CB-CE1 3.9Å; R58-F90 HydrophobicContact CB-CE2 4.28Å; R58-F90 HydrophobicContact CB-CZ 3.74Å; R58-F90 HydrophobicContact CG-CE1 4.22Å; R58-F90 WeakPolarHBondContact O-CZ 3.37Å; F62-F90 HydrophobicContact CB-CE2 4.23Å; F62-F90 HydrophobicContact CB-CZ 4.12Å; F62-F90 AromaticContact CD2-CE2 3.78Å; F62-F90 HydrophobicContact CD2-CE2 3.78Å; F62-F90 HydrophobicContact CD2-CZ 4.07Å; F62-F90 HydrophobicContact CG-CE2 4.35Å; T88-F90 VanDerWaalsContact C-N 3.31Å; T88-F90 PolarHBondContact O-N 2.84Å; F90-S92 VanDerWaalsContact C-N 3.32Å; F90-T93 PolarHBondContact O-N 3.21Å; F90-L94 HydrophobicContact CE1-CD2 4.34Å; F90-L94 WeakPolarHBondContact O-CB 3.3Å; F90-L94 PolarHBondContact O-N 2.95Å
91S92.6Very high93.2Very high0 Ų044 Ų440%022%0.224CC..Hα-helixtrans-65.7-37176.9-70.20000111.9I81 Q85 T88 P89 L94 I95I81-S91 WeakPolarHBondContact CD1-OG 3.3Å; Q85-S91 WeakPolarHBondContact O-CB 3.24Å; Q85-S91 PolarHBondContact O-OG 2.9Å; Q85-S91 VanDerWaalsContact O-OG 3.1Å; T88-S91 PolarHBondContact O-N 2.96Å; T88-S91 WeakPolarHBondContact OG1-CB 3.41Å; T88-S91 PolarHBondContact OG1-N 2.84Å; T88-S91 PolarHBondContact OG1-OG 3.13Å; P89-S91 PolarHBondContact O-N 3.38Å; S91-L94 PolarHBondContact O-N 3.3Å; S91-I95 VanDerWaalsContact O-CB 3.29Å; S91-I95 WeakPolarHBondContact O-CB 3.39Å; S91-I95 WeakPolarHBondContact O-CD1 3.23Å; S91-I95 WeakPolarHBondContact O-CG1 3.46Å; S91-I95 PolarHBondContact O-N 2.89Å
92S92.9Very high92.9Very high38 Ų3848.7 Ų48.727%0.26626%0.258SS..Hα-helixtrans-58.7-51.5174.2-56.70000111.4T88 P89 F90 L94 I95 C96T88-S92 PolarHBondContact O-N 2.66Å; T88-S92 PolarHBondContact O-OG 3.2Å; P89-S92 WeakPolarHBondContact O-CB 3.35Å; P89-S92 PolarHBondContact O-N 3Å; F90-S92 VanDerWaalsContact C-N 3.32Å; S92-L94 PolarHBondContact O-N 3.33Å; S92-I95 PolarHBondContact O-N 3.02Å; S92-C96 PolarHBondContact O-N 3.21Å; S92-C96 PolarHBondContact O-SG 3.18Å
93T93.4Very high92.8Very high73 Ų7348.9 Ų48.945%0.44826%0.259SS..Hα-helixtrans-61.8-44.1178.1-550000112.7F62 P89 F90 I95 Q97F62-T93 HydrophobicContact CE2-CG2 4.44Å; P89-T93 PolarHBondContact O-N 3.31Å; P89-T93 PolarHBondContact O-OG1 3.34Å; F90-T93 PolarHBondContact O-N 3.21Å; T93-I95 VanDerWaalsContact C-N 3.28Å; T93-I95 PolarHBondContact O-N 3.46Å; T93-Q97 PolarHBondContact O-N 3.34Å
94L93.9Very high92.9Very high1 Ų149.6 Ų49.61%0.00526%0.263CS..Hα-helixtrans-59.3-41.8177173.760.9000111.5I49 F62 L65 M66 L79 F90 S91 S92 L98I49-L94 HydrophobicContact CD1-CD2 3.57Å; F62-L94 HydrophobicContact CD2-CB 4.03Å; F62-L94 HydrophobicContact CD2-CD1 3.74Å; F62-L94 HydrophobicContact CD2-CG 4.4Å; F62-L94 HydrophobicContact CE2-CB 4.16Å; F62-L94 HydrophobicContact CE2-CD1 4.25Å; F62-L94 HydrophobicContact CG-CD1 4.36Å; L65-L94 HydrophobicContact CD1-CD1 4.03Å; L65-L94 HydrophobicContact CD1-CD2 4.32Å; M66-L94 HydrophobicContact CE-CD1 3.85Å; L79-L94 HydrophobicContact CD2-CD2 4.21Å; F90-L94 HydrophobicContact CE1-CD2 4.34Å; F90-L94 WeakPolarHBondContact O-CB 3.3Å; F90-L94 PolarHBondContact O-N 2.95Å; S91-L94 PolarHBondContact O-N 3.3Å; S92-L94 PolarHBondContact O-N 3.33Å; L94-L98 HydrophobicContact CD1-CD1 4.11Å; L94-L98 HydrophobicContact CD1-CG 4.3Å; L94-L98 HydrophobicContact CG-CD1 4.08Å; L94-L98 VanDerWaalsContact O-CG 3.31Å; L94-L98 WeakPolarHBondContact O-CG 3.38Å; L94-L98 PolarHBondContact O-N 3.34Å
95I94.8Very high92.9Very high2 Ų246.3 Ų46.31%0.0125%0.25CC..Hα-helixtrans-73.7-41.4-176.5-71.9166.2000111.5L23 L86 S91 S92 T93 Q97 L98 Y99 L104 L136 F137L23-I95 HydrophobicContact CD1-CD1 4.41Å; L23-I95 HydrophobicContact CD2-CD1 3.51Å; L23-I95 HydrophobicContact CD2-CG1 4.04Å; L86-I95 HydrophobicContact CD1-CD1 3.22Å; S91-I95 VanDerWaalsContact O-CB 3.29Å; S91-I95 WeakPolarHBondContact O-CB 3.39Å; S91-I95 WeakPolarHBondContact O-CD1 3.23Å; S91-I95 WeakPolarHBondContact O-CG1 3.46Å; S91-I95 PolarHBondContact O-N 2.89Å; S92-I95 PolarHBondContact O-N 3.02Å; T93-I95 VanDerWaalsContact C-N 3.28Å; T93-I95 PolarHBondContact O-N 3.46Å; I95-Q97 VanDerWaalsContact C-N 3.32Å; I95-Q97 PolarHBondContact O-N 2.62Å; I95-L98 PolarHBondContact O-N 2.84Å; I95-Y99 WeakPolarHBondContact O-CB 3.38Å; I95-Y99 PolarHBondContact O-N 2.91Å; I95-L104 HydrophobicContact CG2-CD2 4.22Å; I95-L136 HydrophobicContact CG2-CB 4.25Å; I95-L136 HydrophobicContact CG2-CD1 4.43Å; I95-F137 HydrophobicContact CG2-CD1 3.34Å; I95-F137 HydrophobicContact CG2-CE1 3.68Å; I95-F137 HydrophobicContact CG2-CG 4.4Å
96C93.7Very high93Very high39 Ų3945.8 Ų45.826%0.26425%0.247SC..Hα-helixtrans-54.5-49.9172.2-65.50000110.9S92 L98 Y99 E100S92-C96 PolarHBondContact O-N 3.21Å; S92-C96 PolarHBondContact O-SG 3.18Å; C96-L98 VanDerWaalsContact C-N 3.34Å; C96-L98 PolarHBondContact O-N 3.27Å; C96-Y99 WeakPolarHBondContact O-CB 3.14Å; C96-Y99 PolarHBondContact O-N 3.19Å; C96-Y99 VanDerWaalsContact O-N 3.11Å; C96-E100 WeakPolarHBondContact O-CB 3.46Å; C96-E100 WeakPolarHBondContact O-CG 3.24Å; C96-E100 PolarHBondContact O-N 3.39Å
97Q93.1Very high93.1Very high61 Ų6145.8 Ų45.829%0.28525%0.246SC..Hα-helixtrans-67-30.8180-69.1-173.3-2.700114M66 T93 I95 K101M66-Q97 HydrophobicContact CE-CB 3.39Å; M66-Q97 HydrophobicContact SD-CB 3.88Å; T93-Q97 PolarHBondContact O-N 3.34Å; I95-Q97 VanDerWaalsContact C-N 3.32Å; I95-Q97 PolarHBondContact O-N 2.62Å; Q97-K101 WeakPolarHBondContact O-CB 3.4Å; Q97-K101 WeakPolarHBondContact O-CG 3.35Å; Q97-K101 PolarHBondContact O-N 3.09Å
98L93.8Very high93.4Very high3 Ų341.3 Ų41.32%0.01623%0.226CC..Hα-helixtrans-70.4-34.6172.5-76.4171.6000111.8I21 L65 M66 Y75 L94 I95 C96 S102 C103 L104I21-L98 HydrophobicContact CG2-CD1 4.16Å; I21-L98 HydrophobicContact CG2-CD2 4.15Å; L65-L98 HydrophobicContact CB-CD2 4.34Å; M66-L98 HydrophobicContact CE-CD2 3.97Å; M66-L98 HydrophobicContact CE-CG 3.83Å; Y75-L98 WeakPolarHBondContact OH-CD2 3.21Å; L94-L98 HydrophobicContact CD1-CD1 4.11Å; L94-L98 HydrophobicContact CD1-CG 4.3Å; L94-L98 HydrophobicContact CG-CD1 4.08Å; L94-L98 VanDerWaalsContact O-CG 3.31Å; L94-L98 WeakPolarHBondContact O-CG 3.38Å; L94-L98 PolarHBondContact O-N 3.34Å; I95-L98 PolarHBondContact O-N 2.84Å; C96-L98 VanDerWaalsContact C-N 3.34Å; C96-L98 PolarHBondContact O-N 3.27Å; L98-S102 PolarHBondContact O-N 3.05Å; L98-C103 HydrophobicContact CD2-CB 3.82Å; L98-C103 WeakPolarHBondContact O-CA 3.41Å; L98-C103 WeakPolarHBondContact O-CB 3.35Å; L98-C103 PolarHBondContact O-N 3.08Å; L98-L104 HydrophobicContact CB-CB 4.32Å; L98-L104 PolarHBondContact O-N 3.47Å
99Y93.9Very high93.5Very high70 Ų7039.7 Ų39.728%0.27522%0.215SC..Hα-helixtrans-73.9-48.4176.9-179.9-107.2000111.6I95 C96 K101 S102 F137 T139 V140I95-Y99 WeakPolarHBondContact O-CB 3.38Å; I95-Y99 PolarHBondContact O-N 2.91Å; C96-Y99 WeakPolarHBondContact O-CB 3.14Å; C96-Y99 PolarHBondContact O-N 3.19Å; C96-Y99 VanDerWaalsContact O-N 3.11Å; Y99-K101 VanDerWaalsContact C-N 3.26Å; Y99-K101 PolarHBondContact O-N 3.44Å; Y99-S102 PolarHBondContact O-N 3.09Å; Y99-F137 HydrophobicContact CD2-CB 3.55Å; Y99-F137 HydrophobicContact CE2-CB 3.93Å; Y99-F137 HydrophobicContact CG-CB 4.05Å; Y99-T139 VanDerWaalsContact CE2-OG1 3.3Å; Y99-T139 WeakPolarHBondContact CE2-OG1 3.44Å; Y99-T139 PolarHBondContact OH-OG1 3.01Å; Y99-T139 VanDerWaalsContact OH-OG1 3.13Å; Y99-V140 HydrophobicContact CD2-CG2 3.87Å; Y99-V140 HydrophobicContact CE2-CG2 4.02Å
100E91.7Very high93.6Very high136 Ų13636.1 Ų36.164%0.63619%0.192SC*.Hα-helixtrans-53.2-41173.8-72.4157.2-159.700112.3C96 S102C96-E100 WeakPolarHBondContact O-CB 3.46Å; C96-E100 WeakPolarHBondContact O-CG 3.24Å; C96-E100 PolarHBondContact O-N 3.39Å; E100-S102 VanDerWaalsContact C-N 3.28Å; E100-S102 PolarHBondContact O-N 3.08Å
101K90.2Very high93.6Very high105 Ų10534.6 Ų34.646%0.45719%0.185SC..THydrogen-bonded Turntrans-823.9176.8-70.3-179.7174.5177.40114.7M66 Q97 Y99 C103M66-K101 PolarHBondContact O-NZ 2.6Å; M66-K101 HydrophobicContact SD-CD 3.87Å; M66-K101 PolarHBondContact SD-NZ 3.44Å; Q97-K101 WeakPolarHBondContact O-CB 3.4Å; Q97-K101 WeakPolarHBondContact O-CG 3.35Å; Q97-K101 PolarHBondContact O-N 3.09Å; Y99-K101 VanDerWaalsContact C-N 3.26Å; Y99-K101 PolarHBondContact O-N 3.44Å; K101-C103 PolarHBondContact O-N 3.43Å
102S90Very high93.7Very high101 Ų10134.6 Ų34.671%0.70619%0.185SC*.THydrogen-bonded Turntrans53.831.6-173.4-58.10000113.8L98 Y99 E100L98-S102 PolarHBondContact O-N 3.05Å; Y99-S102 PolarHBondContact O-N 3.09Å; E100-S102 VanDerWaalsContact C-N 3.28Å; E100-S102 PolarHBondContact O-N 3.08Å
103C92.1Very high93.6Very high11 Ų1132.9 Ų32.97%0.07417%0.173CC..  trans-92.5-13.4179.8-65.90000113.7G20 I21 L70 L98 K101G20-C103 CarbonylContact C-O 3.52Å; G20-C103 WeakPolarHBondContact CA-O 3.35Å; I21-C103 PolarHBondContact N-O 3.21Å; L70-C103 HydrophobicContact CD1-CB 4.35Å; L98-C103 HydrophobicContact CD2-CB 3.82Å; L98-C103 WeakPolarHBondContact O-CA 3.41Å; L98-C103 WeakPolarHBondContact O-CB 3.35Å; L98-C103 PolarHBondContact O-N 3.08Å; K101-C103 PolarHBondContact O-N 3.43Å
104L93.9Very high93.5Very high15 Ų1529.4 Ų29.48%0.07915%0.152CC..EExtended strand (participates in β ladder)trans-89.7109.5-179.2-178.256000110.5I21 L23 I95 L98 F137 V140I21-L104 WeakPolarHBondContact O-CD1 3.45Å; L23-L104 HydrophobicContact CB-CD1 3.75Å; I95-L104 HydrophobicContact CG2-CD2 4.22Å; L98-L104 HydrophobicContact CB-CB 4.32Å; L98-L104 PolarHBondContact O-N 3.47Å; L104-F137 HydrophobicContact CD2-CB 3.81Å; L104-F137 HydrophobicContact CD2-CD1 4.16Å; L104-F137 HydrophobicContact CD2-CD2 4.34Å; L104-F137 HydrophobicContact CD2-CG 3.86Å; L104-V140 HydrophobicContact CB-CG2 4.35Å; L104-V140 HydrophobicContact CD2-CG2 4.04Å; L104-V140 HydrophobicContact CG-CG1 4.16Å; L104-V140 HydrophobicContact CG-CG2 3.96Å
105S93.7Very high93.4Very high18 Ų1829.5 Ų29.513%0.12615%0.152CC..EExtended strand (participates in β ladder)trans-92.7-37.2-17158.50000114.4P19 I21P19-S105 WeakPolarHBondContact O-CB 3.48Å; I21-S105 VanDerWaalsContact C-OG 3.26Å; I21-S105 PolarHBondContact O-N 3.26Å; I21-S105 PolarHBondContact O-OG 2.94Å
106Y95.7Very high93.1Very high15 Ų1529.4 Ų29.46%0.05915%0.152CC..EExtended strand (participates in β ladder)trans-146.1145.9-179-68.7-75.4000111.1P14 H18 A22 L23 P141 I143P14-Y106 HydrophobicContact CB-CE2 3.83Å; H18-Y106 HydrophobicContact CB-CE2 4.1Å; H18-Y106 AromaticContact CD2-CE2 3.84Å; H18-Y106 PolarHBondContact CD2-OH 3.22Å; H18-Y106 VanDerWaalsContact CD2-OH 3.31Å; H18-Y106 PolarHBondContact CE1-OH 3.31Å; H18-Y106 AromaticContact CG-CE2 3.85Å; H18-Y106 PolarHBondContact NE2-OH 3.37Å; A22-Y106 WeakPolarHBondContact CA-O 3.25Å; L23-Y106 PolarHBondContact N-O 2.97Å; Y106-P141 HydrophobicContact CD1-CB 4.02Å; Y106-P141 HydrophobicContact CE1-CB 4.13Å; Y106-I143 HydrophobicContact CD1-CD1 3.81Å; Y106-I143 HydrophobicContact CD1-CG1 4.27Å; Y106-I143 HydrophobicContact CE1-CD1 4.24Å; Y106-I143 HydrophobicContact CG-CD1 4.33Å
107F96.2Very high92.6Very high0 Ų031.1 Ų31.10%016%0.156CC..EExtended strand (participates in β ladder)trans-107.3113.2164.2179.7-122.9000109.2L23 V25 L86 V109 L129 R133 F137 V140 P141 C142 I143L23-F107 HydrophobicContact CB-CD2 4.39Å; L23-F107 HydrophobicContact CD2-CD2 3.93Å; L23-F107 HydrophobicContact CD2-CE2 4.15Å; L23-F107 HydrophobicContact CG-CD2 4.19Å; L23-F107 HydrophobicContact CG-CE2 4.49Å; V25-F107 HydrophobicContact CG2-CE2 3.55Å; V25-F107 HydrophobicContact CG2-CZ 3.92Å; L86-F107 HydrophobicContact CD2-CE2 4.03Å; L86-F107 HydrophobicContact CD2-CZ 4.26Å; F107-V109 HydrophobicContact CD1-CG2 4.14Å; F107-V109 HydrophobicContact CE1-CG2 3.58Å; F107-V109 HydrophobicContact CZ-CG2 3.85Å; F107-L129 HydrophobicContact CZ-CB 4.34Å; F107-L129 HydrophobicContact CZ-CD2 4.35Å; F107-R133 HydrophobicContact CD1-CB 4.43Å; F107-R133 HydrophobicContact CD1-CG 4.42Å; F107-R133 HydrophobicContact CE1-CB 4.27Å; F107-F137 HydrophobicContact CB-CD2 4.29Å; F107-F137 HydrophobicContact CB-CE2 3.68Å; F107-F137 AromaticContact CD1-CE2 3.73Å; F107-F137 HydrophobicContact CD1-CE2 3.73Å; F107-F137 HydrophobicContact CD1-CZ 4.25Å; F107-F137 AromaticContact CD2-CE2 3.67Å; F107-F137 HydrophobicContact CD2-CE2 3.67Å; F107-F137 AromaticContact CD2-CZ 3.67Å; F107-F137 HydrophobicContact CD2-CZ 3.67Å; F107-F137 HydrophobicContact CE1-CE2 4.22Å; F107-F137 HydrophobicContact CE1-CZ 4.34Å; F107-F137 HydrophobicContact CE2-CE2 4.16Å; F107-F137 AromaticContact CE2-CZ 3.77Å; F107-F137 HydrophobicContact CE2-CZ 3.77Å; F107-F137 HydrophobicContact CG-CD2 4.46Å; F107-F137 AromaticContact CG-CE2 3.42Å; F107-F137 HydrophobicContact CG-CE2 3.42Å; F107-F137 VanDerWaalsContact CG-CE2 3.42Å; F107-F137 AromaticContact CG-CZ 3.91Å; F107-F137 HydrophobicContact CG-CZ 3.91Å; F107-F137 HydrophobicContact CZ-CE2 4.42Å; F107-F137 HydrophobicContact CZ-CZ 4.11Å; F107-V140 HydrophobicContact CB-CG1 4.25Å; F107-P141 PolarHBondContact N-O 3.25Å; F107-C142 HydrophobicContact CD1-CB 4.34Å; F107-C142 CarbonylContact O-C 3.5Å; F107-C142 VanDerWaalsContact O-CA 3.24Å; F107-C142 WeakPolarHBondContact O-CA 3.48Å; F107-I143 PolarHBondContact O-N 2.88Å
108V97.2Very high91.8Very high0 Ų031.5 Ų31.50%016%0.155CC..EExtended strand (participates in β ladder)trans-108.5129.1-175.5-175.70000109F11 L23 V24 V25 I143 L145F11-V108 HydrophobicContact CB-CG1 3.88Å; F11-V108 HydrophobicContact CB-CG2 3.89Å; F11-V108 HydrophobicContact CD1-CG1 3.81Å; F11-V108 HydrophobicContact CD2-CB 4.44Å; F11-V108 HydrophobicContact CD2-CG1 3.9Å; F11-V108 HydrophobicContact CD2-CG2 4.09Å; F11-V108 HydrophobicContact CE1-CG1 4.23Å; F11-V108 HydrophobicContact CE2-CG1 4.34Å; F11-V108 HydrophobicContact CG-CB 4.5Å; F11-V108 HydrophobicContact CG-CG1 3.62Å; F11-V108 HydrophobicContact CG-CG2 4.18Å; F11-V108 HydrophobicContact CZ-CG1 4.49Å; L23-V108 PolarHBondContact O-N 3.31Å; V24-V108 HydrophobicContact CB-CB 4.31Å; V24-V108 HydrophobicContact CG1-CB 4.2Å; V24-V108 HydrophobicContact CG1-CG1 4.16Å; V24-V108 HydrophobicContact CG2-CB 4.01Å; V24-V108 HydrophobicContact CG2-CG2 4.17Å; V25-V108 PolarHBondContact N-O 3.48Å; V108-I143 CarbonylContact C-O 3.4Å; V108-I143 WeakPolarHBondContact CA-O 3.32Å; V108-L145 HydrophobicContact CG1-CD1 3.5Å
109V96.7Very high90.9Very high0 Ų031.9 Ų31.90%016%0.159CC..EExtended strand (participates in β ladder)trans-115.498173.7-175.30000108.2F107 A112 Y126 L129 I143 A144 L145 L161F107-V109 HydrophobicContact CD1-CG2 4.14Å; F107-V109 HydrophobicContact CE1-CG2 3.58Å; F107-V109 HydrophobicContact CZ-CG2 3.85Å; V109-A112 HydrophobicContact CG1-CB 4.05Å; V109-Y126 HydrophobicContact CG1-CD1 3.98Å; V109-Y126 HydrophobicContact CG1-CE1 3.68Å; V109-L129 HydrophobicContact CG1-CD1 3.83Å; V109-L129 HydrophobicContact CG2-CD1 4.21Å; V109-I143 PolarHBondContact N-O 3.15Å; V109-A144 WeakPolarHBondContact O-CA 3.33Å; V109-L145 PolarHBondContact O-N 3.47Å; V109-L161 HydrophobicContact CB-CD1 4.1Å; V109-L161 HydrophobicContact CG1-CD1 4.05Å; V109-L161 HydrophobicContact CG2-CD1 4.16Å; V109-L161 HydrophobicContact CG2-CD2 4.43Å
110D94.2Very high90Very high13 Ų1330.5 Ų30.57%0.0716%0.156CC..THydrogen-bonded Turntrans-79.5152.2174.3-173.332.1000111V25 S26 L31 A112 Y126V25-D110 WeakPolarHBondContact O-CB 3.34Å; V25-D110 PolarHBondContact O-N 3.06Å; S26-D110 PolarHBondContact OG-OD2 3.11Å; L31-D110 WeakPolarHBondContact CD2-OD2 3.46Å; D110-A112 PolarHBondContact O-N 3.06Å; D110-Y126 PolarHBondContact O-OH 3.04Å
111E91.3Very high89.5Confident25 Ų2525.9 Ų25.912%0.11714%0.135CC..THydrogen-bonded Turntrans41.946.2-169.4-64.6-67-161.900114P27 L31 H113 C114 L145 Q317P27-E111 HydrophobicContact CG-CB 4.09Å; L31-E111 HydrophobicContact CD2-CG 4.47Å; E111-H113 PolarHBondContact O-N 3.1Å; E111-H113 IonicContact OE2-CE1 3.14Å; E111-H113 PolarHBondContact OE2-CE1 3.13Å; E111-H113 IonicContact OE2-ND1 2.69Å; E111-H113 PolarHBondContact OE2-ND1 3.1Å; E111-C114 WeakPolarHBondContact O-CB 3.38Å; E111-C114 PolarHBondContact O-N 3.03Å; E111-C114 PolarHBondContact O-SG 3.4Å; E111-L145 CarbonylContact C-O 3.59Å; E111-L145 WeakPolarHBondContact CA-O 3.47Å; E111-L145 PolarHBondContact N-O 3.21Å; E111-L145 VanDerWaalsContact N-O 3.08Å; E111-Q317 PolarHBondContact OE1-NE2 2.81Å
112A94.5Very high89.3Confident0 Ų023.4 Ų23.40%012%0.124CC..G310 helixtrans-54.3-18.2-173.300000115.4V109 D110 C114 V115 A144 L145 I157 L161V109-A112 HydrophobicContact CG1-CB 4.05Å; D110-A112 PolarHBondContact O-N 3.06Å; A112-C114 PolarHBondContact O-N 2.87Å; A112-C114 VanDerWaalsContact O-N 3.1Å; A112-V115 VanDerWaalsContact O-CG1 3.24Å; A112-V115 WeakPolarHBondContact O-CG1 3.39Å; A112-V115 PolarHBondContact O-N 3.05Å; A112-V115 VanDerWaalsContact O-N 3.11Å; A112-A144 HydrophobicContact CB-CB 3.96Å; A112-L145 PolarHBondContact N-O 2.93Å; A112-I157 HydrophobicContact CB-CD1 4.12Å; A112-I157 HydrophobicContact CB-CG1 4.23Å; A112-I157 HydrophobicContact CB-CG2 4.34Å; A112-I157 WeakPolarHBondContact O-CG1 3.42Å; A112-L161 HydrophobicContact CB-CD1 4.4Å
113H91.1Very high89.2Confident2 Ų221.1 Ų21.11%0.00910%0.1CC..G310 helixtrans-56.9-22.7172.467.9-95.1000113.1E111 V115 S116 H120 T146 V153E111-H113 PolarHBondContact O-N 3.1Å; E111-H113 IonicContact OE2-CE1 3.14Å; E111-H113 PolarHBondContact OE2-CE1 3.13Å; E111-H113 IonicContact OE2-ND1 2.69Å; E111-H113 PolarHBondContact OE2-ND1 3.1Å; H113-V115 PolarHBondContact O-N 3.49Å; H113-S116 PolarHBondContact O-N 3.21Å; H113-S116 VanDerWaalsContact O-N 3.09Å; H113-H120 AromaticContact CD2-CE1 3.5Å; H113-H120 AromaticContact CD2-ND1 3.6Å; H113-H120 AromaticContact CE1-CE1 3.52Å; H113-H120 AromaticContact NE2-CE1 3.13Å; H113-H120 PolarHBondContact NE2-CE1 3.21Å; H113-H120 AromaticContact NE2-ND1 3.71Å; H113-H120 AromaticContact NE2-NE2 3.81Å; H113-T146 WeakPolarHBondContact CB-OG1 3.28Å; H113-T146 PolarHBondContact ND1-OG1 3.1Å; H113-T146 VanDerWaalsContact ND1-OG1 3.1Å; H113-V153 HydrophobicContact CB-CG1 3.78Å
114C91.4Very high89.1Confident0 Ų024.9 Ų24.90%012%0.124CC..G310 helixtrans-57.3-16.8174.2-690000114.2E111 A112 D121 F122 R123 Y126E111-C114 WeakPolarHBondContact O-CB 3.38Å; E111-C114 PolarHBondContact O-N 3.03Å; E111-C114 PolarHBondContact O-SG 3.4Å; A112-C114 PolarHBondContact O-N 2.87Å; A112-C114 VanDerWaalsContact O-N 3.1Å; C114-D121 WeakPolarHBondContact CA-O 3.36Å; C114-D121 PolarHBondContact SG-O 3.36Å; C114-F122 WeakPolarHBondContact O-CD2 3.3Å; C114-R123 HydrophobicContact CB-CB 4.16Å; C114-R123 HydrophobicContact CB-CG 4.26Å; C114-R123 PolarHBondContact O-N 2.8Å; C114-Y126 HydrophobicContact CB-CD1 3.84Å; C114-Y126 HydrophobicContact CB-CD2 3.64Å; C114-Y126 HydrophobicContact CB-CE1 3.95Å; C114-Y126 HydrophobicContact CB-CE2 3.73Å; C114-Y126 HydrophobicContact CB-CG 3.72Å
115V91.8Very high89Confident3 Ų325 Ų252%0.01813%0.128CC..G310 helixtrans-79.4-16.917781.90000114.1A112 H113 L127 I157 C160 L161A112-V115 VanDerWaalsContact O-CG1 3.24Å; A112-V115 WeakPolarHBondContact O-CG1 3.39Å; A112-V115 PolarHBondContact O-N 3.05Å; A112-V115 VanDerWaalsContact O-N 3.11Å; H113-V115 PolarHBondContact O-N 3.49Å; V115-L127 HydrophobicContact CG2-CD2 4.1Å; V115-L127 VanDerWaalsContact O-CD2 3.3Å; V115-L127 WeakPolarHBondContact O-CD2 3.49Å; V115-I157 HydrophobicContact CG1-CB 4.36Å; V115-I157 HydrophobicContact CG1-CG1 3.75Å; V115-C160 HydrophobicContact CB-CB 4.47Å; V115-C160 HydrophobicContact CG1-CB 4.23Å; V115-C160 HydrophobicContact CG2-CB 3.39Å; V115-L161 HydrophobicContact CG2-CD2 4.36Å
116S88.1Confident89.1Confident1 Ų124.2 Ų24.21%0.00712%0.122CC..  trans-101.6133-176.7175.10000111.1H113 W118 G119 F122 D156H113-S116 PolarHBondContact O-N 3.21Å; H113-S116 VanDerWaalsContact O-N 3.09Å; S116-W118 PolarHBondContact O-N 3.28Å; S116-W118 WeakPolarHBondContact OG-CB 3.4Å; S116-W118 PolarHBondContact OG-N 3.16Å; S116-G119 WeakPolarHBondContact O-CA 3.37Å; S116-G119 PolarHBondContact O-N 3.1Å; S116-G119 PolarHBondContact OG-N 3.41Å; S116-F122 VanDerWaalsContact C-CD2 3.48Å; S116-F122 WeakPolarHBondContact O-CB 3.4Å; S116-F122 WeakPolarHBondContact O-CD2 3.39Å; S116-D156 WeakPolarHBondContact CB-OD2 3.16Å; S116-D156 PolarHBondContact OG-OD2 3.3Å
117E83.2Confident88.9Confident75 Ų7527.2 Ų27.235%0.3514%0.139SC..THydrogen-bonded Turntrans-66.6-14.7169.2-64.6-164.6177.300112.7G119 F122 N361E117-G119 VanDerWaalsContact C-N 3.34Å; E117-F122 HydrophobicContact CG-CD1 3.96Å; E117-F122 HydrophobicContact CG-CD2 3.99Å; E117-F122 HydrophobicContact CG-CE1 3.73Å; E117-F122 HydrophobicContact CG-CE2 3.77Å; E117-F122 HydrophobicContact CG-CG 4.08Å; E117-F122 HydrophobicContact CG-CZ 3.63Å; E117-N361 PolarHBondContact OE2-ND2 2.83Å
118W77Confident88.8Confident69 Ų6928.2 Ų28.226%0.26115%0.147SC..THydrogen-bonded Turntrans-92.72.4172.4-53.684.5000112S116 R152 V153 C364 I367S116-W118 PolarHBondContact O-N 3.28Å; S116-W118 WeakPolarHBondContact OG-CB 3.4Å; S116-W118 PolarHBondContact OG-N 3.16Å; W118-R152 HydrophobicContact CB-CG 4.46Å; W118-R152 HydrophobicContact CG-CG 4.22Å; W118-V153 VanDerWaalsContact C-CG2 3.48Å; W118-V153 HydrophobicContact CB-CG2 4.08Å; W118-V153 WeakPolarHBondContact O-CG2 3.49Å; W118-C364 VanDerWaalsContact CE2-SG 3.6Å; W118-C364 HydrophobicContact CE3-CB 4.07Å; W118-C364 HydrophobicContact CH2-CB 4.28Å; W118-C364 WeakPolarHBondContact CH2-SG 3.25Å; W118-C364 WeakPolarHBondContact CZ2-SG 3.41Å; W118-C364 HydrophobicContact CZ3-CB 3.94Å; W118-C364 VanDerWaalsContact CZ3-SG 3.55Å; W118-I367 HydrophobicContact CZ3-CD1 4.1Å
119G75.8Confident88.7Confident10 Ų1028.2 Ų28.210%0.10315%0.147CC..SBendtrans-86.4142.217000000111.6S116 E117 D121 F122S116-G119 WeakPolarHBondContact O-CA 3.37Å; S116-G119 PolarHBondContact O-N 3.1Å; S116-G119 PolarHBondContact OG-N 3.41Å; E117-G119 VanDerWaalsContact C-N 3.34Å; G119-D121 PolarHBondContact O-N 2.83Å; G119-D121 VanDerWaalsContact O-N 3.1Å; G119-F122 PolarHBondContact O-N 3.08Å
120H74.1Confident88.5Confident42 Ų4228.2 Ų28.219%0.19415%0.147CC..THydrogen-bonded Turntrans-67.8-12.5-172.571.3-71.8000115.1H113 T148 A313 A314 Q317H113-H120 AromaticContact CD2-CE1 3.5Å; H113-H120 AromaticContact CD2-ND1 3.6Å; H113-H120 AromaticContact CE1-CE1 3.52Å; H113-H120 AromaticContact NE2-CE1 3.13Å; H113-H120 PolarHBondContact NE2-CE1 3.21Å; H113-H120 AromaticContact NE2-ND1 3.71Å; H113-H120 AromaticContact NE2-NE2 3.81Å; H120-T148 PolarHBondContact CE1-OG1 3.03Å; H120-T148 PolarHBondContact ND1-OG1 3.4Å; H120-A313 HydrophobicContact CB-CB 4.13Å; H120-A314 HydrophobicContact CB-CB 4.36Å; H120-Q317 VanDerWaalsContact NE2-CD 3.34Å; H120-Q317 PolarHBondContact NE2-OE1 3.35Å
121D82.1Confident88.4Confident39 Ų3935.2 Ų35.221%0.20918%0.177CC..THydrogen-bonded Turntrans-135.955.8174.3-173.150.8000111C114 G119 R123 M293C114-D121 WeakPolarHBondContact CA-O 3.36Å; C114-D121 PolarHBondContact SG-O 3.36Å; G119-D121 PolarHBondContact O-N 2.83Å; G119-D121 VanDerWaalsContact O-N 3.1Å; D121-R123 PolarHBondContact O-N 2.87Å; D121-R123 IonicContact OD1-CZ 2.63Å; D121-R123 IonicContact OD1-NE 2.66Å; D121-R123 IonicContact OD1-NH2 3.24Å; D121-R123 PolarHBondContact OD1-NH2 2.94Å; D121-R123 IonicContact OD2-CZ 2.76Å; D121-R123 IonicContact OD2-NE 3.79Å; D121-R123 PolarHBondContact OD2-NE 3.39Å; D121-R123 IonicContact OD2-NH2 3.03Å; D121-R123 PolarHBondContact OD2-NH2 3.46Å; D121-M293 VanDerWaalsContact OD2-CE 3.28Å; D121-M293 WeakPolarHBondContact OD2-CE 3.3Å
122F85Confident88.5Confident52 Ų5235.1 Ų35.123%0.22818%0.177CC..  trans-54.9134.6175.7173.5-118.1000113C114 S116 E117 G119 P124 L127C114-F122 WeakPolarHBondContact O-CD2 3.3Å; S116-F122 VanDerWaalsContact C-CD2 3.48Å; S116-F122 WeakPolarHBondContact O-CB 3.4Å; S116-F122 WeakPolarHBondContact O-CD2 3.39Å; E117-F122 HydrophobicContact CG-CD1 3.96Å; E117-F122 HydrophobicContact CG-CD2 3.99Å; E117-F122 HydrophobicContact CG-CE1 3.73Å; E117-F122 HydrophobicContact CG-CE2 3.77Å; E117-F122 HydrophobicContact CG-CG 4.08Å; E117-F122 HydrophobicContact CG-CZ 3.63Å; G119-F122 PolarHBondContact O-N 3.08Å; F122-P124 HydrophobicContact CD1-CG 4.5Å; F122-P124 HydrophobicContact CE1-CG 3.72Å; F122-P124 HydrophobicContact CZ-CB 4.37Å; F122-P124 HydrophobicContact CZ-CG 3.96Å; F122-L127 HydrophobicContact CE2-CD1 4.23Å; F122-L127 HydrophobicContact CE2-CD2 4.32Å; F122-L127 HydrophobicContact CE2-CG 4.21Å; F122-L127 HydrophobicContact CZ-CD1 3.98Å; F122-L127 HydrophobicContact CZ-CG 4.42Å
123R88.1Confident88.4Confident53 Ų5335.9 Ų35.920%0.218%0.18CC..  trans-135.1109.7180-67.7172.5-176-79.4-22.3110C114 D121 A125 Y126C114-R123 HydrophobicContact CB-CB 4.16Å; C114-R123 HydrophobicContact CB-CG 4.26Å; C114-R123 PolarHBondContact O-N 2.8Å; D121-R123 PolarHBondContact O-N 2.87Å; D121-R123 IonicContact OD1-CZ 2.63Å; D121-R123 IonicContact OD1-NE 2.66Å; D121-R123 IonicContact OD1-NH2 3.24Å; D121-R123 PolarHBondContact OD1-NH2 2.94Å; D121-R123 IonicContact OD2-CZ 2.76Å; D121-R123 IonicContact OD2-NE 3.79Å; D121-R123 PolarHBondContact OD2-NE 3.39Å; D121-R123 IonicContact OD2-NH2 3.03Å; D121-R123 PolarHBondContact OD2-NH2 3.46Å; R123-A125 PolarHBondContact O-N 2.85Å; R123-Y126 HydrophobicContact CB-CD2 3.73Å; R123-Y126 HydrophobicContact CB-CE2 4.27Å; R123-Y126 WeakPolarHBondContact O-CB 3.45Å; R123-Y126 PolarHBondContact O-N 2.98Å
124P89.5Confident88.4Confident90 Ų9040.2 Ų40.258%0.58420%0.196SC*.G310 helixtrans-51.9-30-179.2-30.334.9000115.2F122 Y126 L127F122-P124 HydrophobicContact CD1-CG 4.5Å; F122-P124 HydrophobicContact CE1-CG 3.72Å; F122-P124 HydrophobicContact CZ-CB 4.37Å; F122-P124 HydrophobicContact CZ-CG 3.96Å; P124-Y126 PolarHBondContact O-N 2.94Å; P124-L127 WeakPolarHBondContact O-CB 3.16Å; P124-L127 PolarHBondContact O-N 3.17Å; P124-L127 VanDerWaalsContact O-N 3.08Å
125A92.4Very high88.4Confident19 Ų1948.7 Ų48.716%0.15723%0.233CC..G310 helixtrans-61.6-21.617600000114.1P83 E84 R123P83-A125 HydrophobicContact CB-CB 3.88Å; P83-A125 HydrophobicContact CG-CB 3.85Å; E84-A125 HydrophobicContact CG-CB 4.21Å; R123-A125 PolarHBondContact O-N 2.85Å
126Y95Very high88.4Confident0 Ų049.6 Ų49.60%024%0.238CC..G310 helixtrans-73.3-25.6174.5-84.1-110000112.7V25 P27 P83 V109 D110 C114 R123 P124 A128 L129V25-Y126 HydrophobicContact CG1-CE1 4.43Å; P27-Y126 WeakPolarHBondContact CA-OH 3.28Å; P27-Y126 HydrophobicContact CB-CE2 4.1Å; P27-Y126 WeakPolarHBondContact CB-OH 3.01Å; P27-Y126 WeakPolarHBondContact CD-OH 3.42Å; P27-Y126 VanDerWaalsContact N-OH 3.14Å; P83-Y126 HydrophobicContact CB-CD2 4.29Å; P83-Y126 HydrophobicContact CB-CE2 4.26Å; P83-Y126 HydrophobicContact CG-CD2 3.99Å; P83-Y126 HydrophobicContact CG-CE2 3.68Å; V109-Y126 HydrophobicContact CG1-CD1 3.98Å; V109-Y126 HydrophobicContact CG1-CE1 3.68Å; D110-Y126 PolarHBondContact O-OH 3.04Å; C114-Y126 HydrophobicContact CB-CD1 3.84Å; C114-Y126 HydrophobicContact CB-CD2 3.64Å; C114-Y126 HydrophobicContact CB-CE1 3.95Å; C114-Y126 HydrophobicContact CB-CE2 3.73Å; C114-Y126 HydrophobicContact CB-CG 3.72Å; R123-Y126 HydrophobicContact CB-CD2 3.73Å; R123-Y126 HydrophobicContact CB-CE2 4.27Å; R123-Y126 WeakPolarHBondContact O-CB 3.45Å; R123-Y126 PolarHBondContact O-N 2.98Å; P124-Y126 PolarHBondContact O-N 2.94Å; Y126-A128 PolarHBondContact O-N 3.36Å; Y126-L129 HydrophobicContact CD1-CD1 3.44Å; Y126-L129 VanDerWaalsContact CD1-CD1 3.44Å; Y126-L129 HydrophobicContact CE1-CD1 3.95Å; Y126-L129 HydrophobicContact CG-CD1 3.9Å; Y126-L129 WeakPolarHBondContact O-CB 3.17Å; Y126-L129 VanDerWaalsContact O-CG 3.23Å; Y126-L129 WeakPolarHBondContact O-CG 3.5Å; Y126-L129 PolarHBondContact O-N 3.38Å; Y126-L129 VanDerWaalsContact O-N 3.08Å
127L92.9Very high88.5Confident78 Ų7849.5 Ų49.541%0.40824%0.237SC..G310 helixtrans-64.5-23.1178.7-62176.8000112.7V115 F122 P124 L129V115-L127 HydrophobicContact CG2-CD2 4.1Å; V115-L127 VanDerWaalsContact O-CD2 3.3Å; V115-L127 WeakPolarHBondContact O-CD2 3.49Å; F122-L127 HydrophobicContact CE2-CD1 4.23Å; F122-L127 HydrophobicContact CE2-CD2 4.32Å; F122-L127 HydrophobicContact CE2-CG 4.21Å; F122-L127 HydrophobicContact CZ-CD1 3.98Å; F122-L127 HydrophobicContact CZ-CG 4.42Å; P124-L127 WeakPolarHBondContact O-CB 3.16Å; P124-L127 PolarHBondContact O-N 3.17Å; P124-L127 VanDerWaalsContact O-N 3.08Å; L127-L129 VanDerWaalsContact C-N 3.32Å
128A93.3Very high88.7Confident21 Ų2148 Ų4817%0.17423%0.234CC..Hα-helixtrans-73.1-2217600000113.2Q87 Y126 G130 K131 I132Q87-A128 HydrophobicContact CG-CB 3.98Å; Y126-A128 PolarHBondContact O-N 3.36Å; A128-G130 PolarHBondContact O-N 2.89Å; A128-K131 PolarHBondContact O-N 2.86Å; A128-K131 VanDerWaalsContact O-N 3.15Å; A128-I132 HydrophobicContact CB-CD1 3.94Å; A128-I132 VanDerWaalsContact O-CG1 3.32Å; A128-I132 WeakPolarHBondContact O-CG1 3.38Å; A128-I132 PolarHBondContact O-N 2.94Å
129L95Very high89.1Confident1 Ų148.4 Ų48.41%0.00524%0.244CC..Hα-helixtrans-63.1-43.1-166.8-60.3178.7000113.3V25 P83 L86 F107 V109 Y126 L127 I132 R133 L161V25-L129 HydrophobicContact CG1-CD1 4.14Å; V25-L129 HydrophobicContact CG1-CD2 4.21Å; V25-L129 HydrophobicContact CG2-CD2 4.22Å; P83-L129 HydrophobicContact CB-CD2 4.29Å; L86-L129 HydrophobicContact CD2-CD2 3.51Å; F107-L129 HydrophobicContact CZ-CB 4.34Å; F107-L129 HydrophobicContact CZ-CD2 4.35Å; V109-L129 HydrophobicContact CG1-CD1 3.83Å; V109-L129 HydrophobicContact CG2-CD1 4.21Å; Y126-L129 HydrophobicContact CD1-CD1 3.44Å; Y126-L129 VanDerWaalsContact CD1-CD1 3.44Å; Y126-L129 HydrophobicContact CE1-CD1 3.95Å; Y126-L129 HydrophobicContact CG-CD1 3.9Å; Y126-L129 WeakPolarHBondContact O-CB 3.17Å; Y126-L129 VanDerWaalsContact O-CG 3.23Å; Y126-L129 WeakPolarHBondContact O-CG 3.5Å; Y126-L129 PolarHBondContact O-N 3.38Å; Y126-L129 VanDerWaalsContact O-N 3.08Å; L127-L129 VanDerWaalsContact C-N 3.32Å; L129-I132 PolarHBondContact O-N 3.47Å; L129-R133 WeakPolarHBondContact O-CB 3.35Å; L129-R133 PolarHBondContact O-N 3.08Å; L129-L161 HydrophobicContact CB-CD2 3.71Å; L129-L161 HydrophobicContact CD1-CD2 4.15Å
130G92.2Very high89.8Confident0 Ų048.2 Ų48.20%024%0.241CC..Hα-helixtrans-65.4-37.1175.700000113.2A128 R134 C160A128-G130 PolarHBondContact O-N 2.89Å; G130-R134 WeakPolarHBondContact O-CB 3.38Å; G130-R134 WeakPolarHBondContact O-CG 3.4Å; G130-R134 PolarHBondContact O-N 3.28Å; G130-R134 PolarHBondContact O-NE 2.87Å; G130-C160 VanDerWaalsContact CA-O 3.3Å; G130-C160 WeakPolarHBondContact CA-O 3.47Å; G130-C160 PolarHBondContact N-O 3.3Å
131K92.4Very high90.6Very high160 Ų16047.3 Ų47.370%0.69624%0.239SC*.Hα-helixtrans-66.2-40.7174.1-65.2-168.5177.6-169.70111.3A128 K135A128-K131 PolarHBondContact O-N 2.86Å; A128-K131 VanDerWaalsContact O-N 3.15Å; K131-K135 VanDerWaalsContact O-CB 3.24Å; K131-K135 WeakPolarHBondContact O-CB 3.49Å; K131-K135 PolarHBondContact O-N 3.23Å; K131-K135 VanDerWaalsContact O-N 3.12Å
132I93.2Very high91.2Very high22 Ų2246.7 Ų46.711%0.11324%0.237CC..Hα-helixtrans-64.8-48.7176.7-69164.8000110.9L86 Q87 A128 L129 K135 L136 F137L86-I132 HydrophobicContact CD1-CG2 4.49Å; L86-I132 HydrophobicContact CD2-CD1 4.32Å; L86-I132 HydrophobicContact CD2-CG2 4.32Å; L86-I132 HydrophobicContact CG-CD1 4.16Å; L86-I132 HydrophobicContact CG-CG2 4.26Å; Q87-I132 HydrophobicContact CG-CD1 3.71Å; A128-I132 HydrophobicContact CB-CD1 3.94Å; A128-I132 VanDerWaalsContact O-CG1 3.32Å; A128-I132 WeakPolarHBondContact O-CG1 3.38Å; A128-I132 PolarHBondContact O-N 2.94Å; L129-I132 PolarHBondContact O-N 3.47Å; I132-K135 PolarHBondContact O-N 3.27Å; I132-L136 HydrophobicContact CG2-CD1 3.98Å; I132-L136 HydrophobicContact CG2-CG 4.42Å; I132-L136 WeakPolarHBondContact O-CB 3.38Å; I132-L136 PolarHBondContact O-N 3.21Å; I132-F137 HydrophobicContact CG2-CE1 3.92Å; I132-F137 HydrophobicContact CG2-CZ 4.21Å
133R92.8Very high91.7Very high17 Ų1746.3 Ų46.36%0.06424%0.237CC..Hα-helixtrans-57.6-54178.1176.5-179.5173-134.5-5.4112F107 L129 K135 L136 F137 C142 L161 G162F107-R133 HydrophobicContact CD1-CB 4.43Å; F107-R133 HydrophobicContact CD1-CG 4.42Å; F107-R133 HydrophobicContact CE1-CB 4.27Å; L129-R133 WeakPolarHBondContact O-CB 3.35Å; L129-R133 PolarHBondContact O-N 3.08Å; R133-K135 PolarHBondContact O-N 3.1Å; R133-L136 PolarHBondContact O-N 3.38Å; R133-F137 HydrophobicContact CB-CD2 4.34Å; R133-F137 HydrophobicContact CB-CE2 3.72Å; R133-F137 HydrophobicContact CB-CZ 4.11Å; R133-F137 HydrophobicContact CG-CD2 4Å; R133-F137 HydrophobicContact CG-CE2 3.73Å; R133-F137 CarbonylContact O-C 3.35Å; R133-F137 PolarHBondContact O-N 2.95Å; R133-F137 VanDerWaalsContact O-N 3.09Å; R133-C142 VanDerWaalsContact CZ-CB 3.46Å; R133-L161 PolarHBondContact NH1-O 2.96Å; R133-G162 VanDerWaalsContact NH1-C 3.33Å; R133-G162 PolarHBondContact NH1-O 3.47Å
134R91.3Very high92Very high93 Ų9345.4 Ų45.435%0.35124%0.241SC..Hα-helixtrans-59.8-33.2179.5-74.5-177.6-70.8-1191.3112.5G130 E165 L166G130-R134 WeakPolarHBondContact O-CB 3.38Å; G130-R134 WeakPolarHBondContact O-CG 3.4Å; G130-R134 PolarHBondContact O-N 3.28Å; G130-R134 PolarHBondContact O-NE 2.87Å; R134-E165 IonicContact CZ-OE2 2.67Å; R134-E165 IonicContact NE-OE2 3.65Å; R134-E165 VanDerWaalsContact NH1-CD 3.27Å; R134-E165 IonicContact NH1-OE1 3.44Å; R134-E165 PolarHBondContact NH1-OE1 3.23Å; R134-E165 VanDerWaalsContact NH1-OE1 3.13Å; R134-E165 IonicContact NH1-OE2 2.78Å; R134-E165 PolarHBondContact NH1-OE2 3.13Å; R134-L166 HydrophobicContact CG-CD1 4.12Å; R134-L166 HydrophobicContact CG-CD2 4.46Å
135K91.3Very high92.3Very high177 Ų17741.4 Ų41.477%0.7722%0.215SC*.Hα-helixtrans-82.7-40.4-179.6-171.9-177.6175.2179.30114.5K131 I132 R133K131-K135 VanDerWaalsContact O-CB 3.24Å; K131-K135 WeakPolarHBondContact O-CB 3.49Å; K131-K135 PolarHBondContact O-N 3.23Å; K131-K135 VanDerWaalsContact O-N 3.12Å; I132-K135 PolarHBondContact O-N 3.27Å; R133-K135 PolarHBondContact O-N 3.1Å
136L91.5Very high92.3Very high22 Ų2241.5 Ų41.512%0.11521%0.213CC..Hα-helixtrans-107.6-24.7-165.8-58-170.5000114.9I95 I132 R133I95-L136 HydrophobicContact CG2-CB 4.25Å; I95-L136 HydrophobicContact CG2-CD1 4.43Å; I132-L136 HydrophobicContact CG2-CD1 3.98Å; I132-L136 HydrophobicContact CG2-CG 4.42Å; I132-L136 WeakPolarHBondContact O-CB 3.38Å; I132-L136 PolarHBondContact O-N 3.21Å; R133-L136 PolarHBondContact O-N 3.38Å
137F91.1Very high92Very high0 Ų042 Ų420%022%0.217CC..  trans-156.254.7-175.247.6-91.5000113.2L23 I95 Y99 L104 F107 I132 R133 T139 V140L23-F137 HydrophobicContact CD2-CE1 4.43Å; L23-F137 HydrophobicContact CD2-CZ 4.38Å; I95-F137 HydrophobicContact CG2-CD1 3.34Å; I95-F137 HydrophobicContact CG2-CE1 3.68Å; I95-F137 HydrophobicContact CG2-CG 4.4Å; Y99-F137 HydrophobicContact CD2-CB 3.55Å; Y99-F137 HydrophobicContact CE2-CB 3.93Å; Y99-F137 HydrophobicContact CG-CB 4.05Å; L104-F137 HydrophobicContact CD2-CB 3.81Å; L104-F137 HydrophobicContact CD2-CD1 4.16Å; L104-F137 HydrophobicContact CD2-CD2 4.34Å; L104-F137 HydrophobicContact CD2-CG 3.86Å; F107-F137 HydrophobicContact CB-CD2 4.29Å; F107-F137 HydrophobicContact CB-CE2 3.68Å; F107-F137 AromaticContact CD1-CE2 3.73Å; F107-F137 HydrophobicContact CD1-CE2 3.73Å; F107-F137 HydrophobicContact CD1-CZ 4.25Å; F107-F137 AromaticContact CD2-CE2 3.67Å; F107-F137 HydrophobicContact CD2-CE2 3.67Å; F107-F137 AromaticContact CD2-CZ 3.67Å; F107-F137 HydrophobicContact CD2-CZ 3.67Å; F107-F137 HydrophobicContact CE1-CE2 4.22Å; F107-F137 HydrophobicContact CE1-CZ 4.34Å; F107-F137 HydrophobicContact CE2-CE2 4.16Å; F107-F137 AromaticContact CE2-CZ 3.77Å; F107-F137 HydrophobicContact CE2-CZ 3.77Å; F107-F137 HydrophobicContact CG-CD2 4.46Å; F107-F137 AromaticContact CG-CE2 3.42Å; F107-F137 HydrophobicContact CG-CE2 3.42Å; F107-F137 VanDerWaalsContact CG-CE2 3.42Å; F107-F137 AromaticContact CG-CZ 3.91Å; F107-F137 HydrophobicContact CG-CZ 3.91Å; F107-F137 HydrophobicContact CZ-CE2 4.42Å; F107-F137 HydrophobicContact CZ-CZ 4.11Å; I132-F137 HydrophobicContact CG2-CE1 3.92Å; I132-F137 HydrophobicContact CG2-CZ 4.21Å; R133-F137 HydrophobicContact CB-CD2 4.34Å; R133-F137 HydrophobicContact CB-CE2 3.72Å; R133-F137 HydrophobicContact CB-CZ 4.11Å; R133-F137 HydrophobicContact CG-CD2 4Å; R133-F137 HydrophobicContact CG-CE2 3.73Å; R133-F137 CarbonylContact O-C 3.35Å; R133-F137 PolarHBondContact O-N 2.95Å; R133-F137 VanDerWaalsContact O-N 3.09Å; F137-T139 VanDerWaalsContact C-N 3.32Å; F137-T139 PolarHBondContact O-N 2.92Å; F137-V140 HydrophobicContact CB-CB 4.35Å; F137-V140 HydrophobicContact CB-CG2 3.9Å; F137-V140 HydrophobicContact CD2-CB 4.14Å; F137-V140 PolarHBondContact O-N 3.02Å; F137-V140 VanDerWaalsContact O-N 3.16Å
138P87Confident91.7Very high42 Ų4238.4 Ų38.427%0.27320%0.198SC..THydrogen-bonded Turntrans-60-33.2-169.722.6-34.1000114.8V140 L166P138-V140 VanDerWaalsContact C-N 3.32Å; P138-V140 PolarHBondContact O-N 2.86Å; P138-L166 HydrophobicContact CB-CD1 4.41Å; P138-L166 HydrophobicContact CB-CD2 4.29Å; P138-L166 WeakPolarHBondContact O-CD1 3.35Å
139T85.3Confident91.5Very high78 Ų7838.9 Ų38.948%0.47920%0.203SC..THydrogen-bonded Turntrans-80.4-5.8-178.761.40000114.6Y99 F137Y99-T139 VanDerWaalsContact CE2-OG1 3.3Å; Y99-T139 WeakPolarHBondContact CE2-OG1 3.44Å; Y99-T139 PolarHBondContact OH-OG1 3.01Å; Y99-T139 VanDerWaalsContact OH-OG1 3.13Å; F137-T139 VanDerWaalsContact C-N 3.32Å; F137-T139 PolarHBondContact O-N 2.92Å
140V90.5Very high91.2Very high7 Ų739.8 Ų39.84%0.04221%0.208CC..SBendtrans-78.6128.6-177.4175.60000110.8Y99 L104 F107 F137 P138 C142Y99-V140 HydrophobicContact CD2-CG2 3.87Å; Y99-V140 HydrophobicContact CE2-CG2 4.02Å; L104-V140 HydrophobicContact CB-CG2 4.35Å; L104-V140 HydrophobicContact CD2-CG2 4.04Å; L104-V140 HydrophobicContact CG-CG1 4.16Å; L104-V140 HydrophobicContact CG-CG2 3.96Å; F107-V140 HydrophobicContact CB-CG1 4.25Å; F137-V140 HydrophobicContact CB-CB 4.35Å; F137-V140 HydrophobicContact CB-CG2 3.9Å; F137-V140 HydrophobicContact CD2-CB 4.14Å; F137-V140 PolarHBondContact O-N 3.02Å; F137-V140 VanDerWaalsContact O-N 3.16Å; P138-V140 VanDerWaalsContact C-N 3.32Å; P138-V140 PolarHBondContact O-N 2.86Å; V140-C142 PolarHBondContact O-N 3.14Å
141P91.4Very high91Very high23 Ų2341.2 Ų41.215%0.14922%0.217CC..  trans-58.4134.4175.5-24.934.6000112.4Y106 F107 F177Y106-P141 HydrophobicContact CD1-CB 4.02Å; Y106-P141 HydrophobicContact CE1-CB 4.13Å; F107-P141 PolarHBondContact N-O 3.25Å; P141-F177 HydrophobicContact CG-CD1 4.25Å; P141-F177 HydrophobicContact CG-CD2 3.84Å; P141-F177 HydrophobicContact CG-CE1 4.39Å; P141-F177 HydrophobicContact CG-CE2 3.99Å; P141-F177 HydrophobicContact CG-CG 3.97Å; P141-F177 HydrophobicContact CG-CZ 4.26Å
142C93.9Very high90.8Very high26 Ų2639.1 Ų39.118%0.17621%0.205CC..EExtended strand (participates in β ladder)trans-109.7126.4-177.7-178.60000111.3F107 R133 V140 L163F107-C142 HydrophobicContact CD1-CB 4.34Å; F107-C142 CarbonylContact O-C 3.5Å; F107-C142 VanDerWaalsContact O-CA 3.24Å; F107-C142 WeakPolarHBondContact O-CA 3.48Å; R133-C142 VanDerWaalsContact CZ-CB 3.46Å; V140-C142 PolarHBondContact O-N 3.14Å; C142-L163 HydrophobicContact CB-CD2 4.04Å; C142-L163 VanDerWaalsContact SG-CD2 3.59Å
143I95.3Very high90.7Very high43 Ų4338.1 Ų38.122%0.22120%0.2CC..EExtended strand (participates in β ladder)trans-113.7111.9178.4-49.3178.2000108.6F11 Y106 F107 V108 V109 L145F11-I143 HydrophobicContact CB-CD1 4.3Å; Y106-I143 HydrophobicContact CD1-CD1 3.81Å; Y106-I143 HydrophobicContact CD1-CG1 4.27Å; Y106-I143 HydrophobicContact CE1-CD1 4.24Å; Y106-I143 HydrophobicContact CG-CD1 4.33Å; F107-I143 PolarHBondContact O-N 2.88Å; V108-I143 CarbonylContact C-O 3.4Å; V108-I143 WeakPolarHBondContact CA-O 3.32Å; V109-I143 PolarHBondContact N-O 3.15Å; I143-L145 HydrophobicContact CB-CD1 4.44Å; I143-L145 HydrophobicContact CG2-CD1 3.75Å; I143-L145 HydrophobicContact CG2-CG 4.18Å
144A95.9Very high90.7Very high34 Ų3441.9 Ų41.928%0.28121%0.214SC..EExtended strand (participates in β ladder)trans-100.7128.5175.400000110.5V109 A112 I157 L161 L163V109-A144 WeakPolarHBondContact O-CA 3.33Å; A112-A144 HydrophobicContact CB-CB 3.96Å; A144-I157 HydrophobicContact CB-CG2 4Å; A144-L161 HydrophobicContact CB-CD1 3.86Å; A144-L163 HydrophobicContact CB-CD1 3.9Å
145L94.8Very high90.7Very high7 Ų742.5 Ų42.54%0.03722%0.221CC..  trans-124.3137.9-176.9-59.2102.3000111.8K7 F11 V108 V109 E111 A112 I143K7-L145 HydrophobicContact CB-CD2 4.11Å; K7-L145 HydrophobicContact CD-CB 4.43Å; K7-L145 WeakPolarHBondContact O-CD2 3.5Å; F11-L145 HydrophobicContact CB-CD1 4.48Å; F11-L145 HydrophobicContact CD1-CD1 3.81Å; F11-L145 HydrophobicContact CD1-CD2 3.99Å; F11-L145 HydrophobicContact CE1-CD1 4.48Å; F11-L145 HydrophobicContact CG-CD1 4.49Å; V108-L145 HydrophobicContact CG1-CD1 3.5Å; V109-L145 PolarHBondContact O-N 3.47Å; E111-L145 CarbonylContact C-O 3.59Å; E111-L145 WeakPolarHBondContact CA-O 3.47Å; E111-L145 PolarHBondContact N-O 3.21Å; E111-L145 VanDerWaalsContact N-O 3.08Å; A112-L145 PolarHBondContact N-O 2.93Å; I143-L145 HydrophobicContact CB-CD1 4.44Å; I143-L145 HydrophobicContact CG2-CD1 3.75Å; I143-L145 HydrophobicContact CG2-CG 4.18Å
146T92.3Very high90.8Very high20 Ų2036 Ų3612%0.12320%0.195CC..  trans-160161.5174.1179.80000112M1 H113 T148 A149 I157M1-T146 PolarHBondContact N-O 3.04Å; M1-T146 VanDerWaalsContact N-O 3.08Å; H113-T146 WeakPolarHBondContact CB-OG1 3.28Å; H113-T146 PolarHBondContact ND1-OG1 3.1Å; H113-T146 VanDerWaalsContact ND1-OG1 3.1Å; T146-T148 PolarHBondContact OG1-N 3.18Å; T146-A149 HydrophobicContact CG2-CB 3.74Å; T146-I157 HydrophobicContact CG2-CD1 3.88Å
147A87.8Confident90.9Very high10 Ų1035.5 Ų35.58%0.08319%0.192CC..SBendtrans-100.7-19.3172.400000115M1 T3M1-A147 VanDerWaalsContact O-CA 3.25Å; M1-A147 WeakPolarHBondContact O-CA 3.45Å; T3-A147 HydrophobicContact CG2-CB 4.22Å
148T87.5Confident91Very high3 Ų337.5 Ų37.52%0.01820%0.202CC..  trans-127.524.9-162.548.40000113.9H120 T146 T150 A313 Y316 Q317H120-T148 PolarHBondContact CE1-OG1 3.03Å; H120-T148 PolarHBondContact ND1-OG1 3.4Å; T146-T148 PolarHBondContact OG1-N 3.18Å; T148-T150 PolarHBondContact O-N 2.85Å; T148-A313 HydrophobicContact CG2-CB 4.5Å; T148-A313 WeakPolarHBondContact CG2-O 3.11Å; T148-Y316 HydrophobicContact CG2-CD1 4.23Å; T148-Q317 HydrophobicContact CG2-CB 3.99Å
149A89.2Confident91.2Very high32 Ų3242.9 Ų42.926%0.26422%0.222SC..  trans-68.2105.9173.600000111.3T146 V153 R154 I157T146-A149 HydrophobicContact CG2-CB 3.74Å; A149-V153 HydrophobicContact CB-CB 4.48Å; A149-V153 HydrophobicContact CB-CG1 4.18Å; A149-R154 HydrophobicContact CB-CB 4.32Å; A149-I157 HydrophobicContact CB-CD1 4.39Å
150T89.5Confident91.6Very high20 Ų2040.9 Ų40.912%0.12321%0.21CC..  trans-67.3164.2153.865.90000109.1T148 R152 V153 R154 Y389 F390T148-T150 PolarHBondContact O-N 2.85Å; T150-R152 VanDerWaalsContact C-N 3.27Å; T150-R152 PolarHBondContact O-N 2.78Å; T150-V153 PolarHBondContact O-N 2.87Å; T150-V153 WeakPolarHBondContact OG1-CG2 3.43Å; T150-R154 PolarHBondContact O-N 2.97Å; T150-Y389 HydrophobicContact CG2-CD1 4.12Å; T150-Y389 HydrophobicContact CG2-CE1 3.57Å; T150-F390 HydrophobicContact CG2-CD1 4.11Å; T150-F390 HydrophobicContact CG2-CE1 4.18Å
151P88.4Confident91.7Very high29 Ų2940.6 Ų40.619%0.18821%0.208CC..Hα-helixtrans-53.3-41.6-179.4-27.534.2000113.8R154 E155 K391P151-R154 WeakPolarHBondContact O-CB 3.49Å; P151-R154 PolarHBondContact O-N 2.79Å; P151-E155 VanDerWaalsContact O-CD 3.27Å; P151-E155 WeakPolarHBondContact O-CG 3.49Å; P151-E155 PolarHBondContact O-N 3.14Å; P151-K391 HydrophobicContact CG-CB 3.94Å; P151-K391 HydrophobicContact CG-CD 3.58Å; P151-K391 HydrophobicContact CG-CG 3.69Å
152R88.1Confident91.6Very high116 Ų11639.5 Ų39.544%0.43820%0.201SC..Hα-helixtrans-64.2-42.7176-170.7174.9-168158.99.3112.8W118 T150 R154 E155 D156W118-R152 HydrophobicContact CB-CG 4.46Å; W118-R152 HydrophobicContact CG-CG 4.22Å; T150-R152 VanDerWaalsContact C-N 3.27Å; T150-R152 PolarHBondContact O-N 2.78Å; R152-R154 VanDerWaalsContact C-N 3.29Å; R152-R154 PolarHBondContact O-N 2.96Å; R152-E155 PolarHBondContact O-N 3.25Å; R152-D156 PolarHBondContact O-N 3.32Å
153V91Very high91.3Very high1 Ų139.1 Ų39.11%0.00620%0.197CC..Hα-helixtrans-65.1-35.1175.4172.70000111H113 W118 A149 T150 I157H113-V153 HydrophobicContact CB-CG1 3.78Å; W118-V153 VanDerWaalsContact C-CG2 3.48Å; W118-V153 HydrophobicContact CB-CG2 4.08Å; W118-V153 WeakPolarHBondContact O-CG2 3.49Å; A149-V153 HydrophobicContact CB-CB 4.48Å; A149-V153 HydrophobicContact CB-CG1 4.18Å; T150-V153 PolarHBondContact O-N 2.87Å; T150-V153 WeakPolarHBondContact OG1-CG2 3.43Å; V153-I157 HydrophobicContact CG1-CD1 3.88Å; V153-I157 HydrophobicContact CG1-CG1 4.45Å; V153-I157 WeakPolarHBondContact O-CB 3.36Å; V153-I157 WeakPolarHBondContact O-CD1 3.21Å; V153-I157 WeakPolarHBondContact O-CG1 3.38Å; V153-I157 PolarHBondContact O-N 2.98Å
154R92.5Very high90.6Very high97 Ų9738.6 Ų38.637%0.36620%0.203SC..Hα-helixtrans-63.6-47.3172164.2-171-178.8-86.2-0.2111.5A149 T150 P151 R152 I157 I158 E183A149-R154 HydrophobicContact CB-CB 4.32Å; T150-R154 PolarHBondContact O-N 2.97Å; P151-R154 WeakPolarHBondContact O-CB 3.49Å; P151-R154 PolarHBondContact O-N 2.79Å; R152-R154 VanDerWaalsContact C-N 3.29Å; R152-R154 PolarHBondContact O-N 2.96Å; R154-I157 PolarHBondContact O-N 2.85Å; R154-I158 HydrophobicContact CG-CD1 3.95Å; R154-I158 VanDerWaalsContact O-CG1 3.25Å; R154-I158 WeakPolarHBondContact O-CG1 3.45Å; R154-I158 PolarHBondContact O-N 3.49Å; R154-E183 WeakPolarHBondContact CD-OE1 3.48Å; R154-E183 IonicContact CZ-OE2 3.99Å; R154-E183 VanDerWaalsContact NE-CD 3.26Å; R154-E183 IonicContact NE-OE1 2.74Å; R154-E183 PolarHBondContact NE-OE1 2.86Å; R154-E183 IonicContact NE-OE2 3.25Å; R154-E183 PolarHBondContact NE-OE2 3.41Å; R154-E183 IonicContact NH2-OE2 2.64Å; R154-E183 PolarHBondContact NH2-OE2 3.2Å
155E91.6Very high89.4Confident106 Ų10641 Ų4150%0.49521%0.208SC..Hα-helixtrans-59.4-46.3176.1-69.9148.5-149.200111.6P151 R152 I157 I158 K159P151-E155 VanDerWaalsContact O-CD 3.27Å; P151-E155 WeakPolarHBondContact O-CG 3.49Å; P151-E155 PolarHBondContact O-N 3.14Å; R152-E155 PolarHBondContact O-N 3.25Å; E155-I157 PolarHBondContact O-N 2.84Å; E155-I158 PolarHBondContact O-N 2.74Å; E155-K159 WeakPolarHBondContact O-CB 3.29Å; E155-K159 PolarHBondContact O-N 3.1Å
156D92.8Very high87.7Confident40 Ų4042.6 Ų42.621%0.21422%0.216CC..Hα-helixtrans-61.9-40.9174.4-76.2-18.2000112.3S116 R152 C160S116-D156 WeakPolarHBondContact CB-OD2 3.16Å; S116-D156 PolarHBondContact OG-OD2 3.3Å; R152-D156 PolarHBondContact O-N 3.32Å; D156-C160 WeakPolarHBondContact O-CB 3.3Å; D156-C160 PolarHBondContact O-N 3Å; D156-C160 PolarHBondContact O-SG 3.22Å; D156-C160 VanDerWaalsContact O-SG 3.4Å
157I94.1Very high85.8Confident11 Ų1143.4 Ų43.46%0.05622%0.223CC..Hα-helixtrans-60.1-47.2175.9-76.5164000111.2A112 V115 A144 T146 A149 V153 R154 E155 L161 L163A112-I157 HydrophobicContact CB-CD1 4.12Å; A112-I157 HydrophobicContact CB-CG1 4.23Å; A112-I157 HydrophobicContact CB-CG2 4.34Å; A112-I157 WeakPolarHBondContact O-CG1 3.42Å; V115-I157 HydrophobicContact CG1-CB 4.36Å; V115-I157 HydrophobicContact CG1-CG1 3.75Å; A144-I157 HydrophobicContact CB-CG2 4Å; T146-I157 HydrophobicContact CG2-CD1 3.88Å; A149-I157 HydrophobicContact CB-CD1 4.39Å; V153-I157 HydrophobicContact CG1-CD1 3.88Å; V153-I157 HydrophobicContact CG1-CG1 4.45Å; V153-I157 WeakPolarHBondContact O-CB 3.36Å; V153-I157 WeakPolarHBondContact O-CD1 3.21Å; V153-I157 WeakPolarHBondContact O-CG1 3.38Å; V153-I157 PolarHBondContact O-N 2.98Å; R154-I157 PolarHBondContact O-N 2.85Å; E155-I157 PolarHBondContact O-N 2.84Å; I157-L161 HydrophobicContact CG2-CD1 4.13Å; I157-L161 WeakPolarHBondContact O-CB 3.37Å; I157-L161 WeakPolarHBondContact O-CG 3.35Å; I157-L161 PolarHBondContact O-N 3.04Å; I157-L161 VanDerWaalsContact O-N 3.17Å; I157-L163 HydrophobicContact CG2-CD1 3.94Å
158I93Very high83.8Confident43 Ų4349.1 Ų49.122%0.22125%0.252CS..Hα-helixtrans-61.6-51.7-178.9-67.8165.8000109.9R154 E155 G162 L163 L181R154-I158 HydrophobicContact CG-CD1 3.95Å; R154-I158 VanDerWaalsContact O-CG1 3.25Å; R154-I158 WeakPolarHBondContact O-CG1 3.45Å; R154-I158 PolarHBondContact O-N 3.49Å; E155-I158 PolarHBondContact O-N 2.74Å; I158-G162 WeakPolarHBondContact O-CA 3.48Å; I158-G162 PolarHBondContact O-N 2.73Å; I158-L163 HydrophobicContact CG1-CD1 4.41Å; I158-L163 HydrophobicContact CG2-CB 4.35Å; I158-L163 PolarHBondContact O-N 3.38Å; I158-L181 HydrophobicContact CB-CD2 4.46Å; I158-L181 HydrophobicContact CD1-CD2 3.61Å; I158-L181 HydrophobicContact CG1-CD2 3.63Å; I158-L181 HydrophobicContact CG2-CD2 4Å
159K91.4Very high81.9Confident155 Ų15556.5 Ų56.567%0.67429%0.286SS*.Hα-helixtrans-66.1-47.4-177.7-173.1178.6-177.8178.20113.1E155 G162E155-K159 WeakPolarHBondContact O-CB 3.29Å; E155-K159 PolarHBondContact O-N 3.1Å; K159-G162 PolarHBondContact O-N 3.15Å
160C92.5Very high79.7Confident35 Ų3557.7 Ų57.724%0.23629%0.293CS..Hα-helixtrans-76.3-23.8-173.9-68.10000113.7V115 G130 D156V115-C160 HydrophobicContact CB-CB 4.47Å; V115-C160 HydrophobicContact CG1-CB 4.23Å; V115-C160 HydrophobicContact CG2-CB 3.39Å; G130-C160 VanDerWaalsContact CA-O 3.3Å; G130-C160 WeakPolarHBondContact CA-O 3.47Å; G130-C160 PolarHBondContact N-O 3.3Å; D156-C160 WeakPolarHBondContact O-CB 3.3Å; D156-C160 PolarHBondContact O-N 3Å; D156-C160 PolarHBondContact O-SG 3.22Å; D156-C160 VanDerWaalsContact O-SG 3.4Å
161L92.7Very high77.4Confident1 Ų162.9 Ų62.91%0.00533%0.33CS..Hα-helixtrans-98.3-5.8174.9-56.3-178000113.7V109 A112 V115 L129 R133 A144 I157 L163V109-L161 HydrophobicContact CB-CD1 4.1Å; V109-L161 HydrophobicContact CG1-CD1 4.05Å; V109-L161 HydrophobicContact CG2-CD1 4.16Å; V109-L161 HydrophobicContact CG2-CD2 4.43Å; A112-L161 HydrophobicContact CB-CD1 4.4Å; V115-L161 HydrophobicContact CG2-CD2 4.36Å; L129-L161 HydrophobicContact CB-CD2 3.71Å; L129-L161 HydrophobicContact CD1-CD2 4.15Å; R133-L161 PolarHBondContact NH1-O 2.96Å; A144-L161 HydrophobicContact CB-CD1 3.86Å; I157-L161 HydrophobicContact CG2-CD1 4.13Å; I157-L161 WeakPolarHBondContact O-CB 3.37Å; I157-L161 WeakPolarHBondContact O-CG 3.35Å; I157-L161 PolarHBondContact O-N 3.04Å; I157-L161 VanDerWaalsContact O-N 3.17Å; L161-L163 HydrophobicContact CB-CD2 3.84Å; L161-L163 HydrophobicContact CB-CG 4.01Å
162G89Confident75.4Confident0 Ų067 Ų670%035%0.349CS..THydrogen-bonded Turntrans65.740.5-178.400000113.6R133 I158 K159 G164 E165R133-G162 VanDerWaalsContact NH1-C 3.33Å; R133-G162 PolarHBondContact NH1-O 3.47Å; I158-G162 WeakPolarHBondContact O-CA 3.48Å; I158-G162 PolarHBondContact O-N 2.73Å; K159-G162 PolarHBondContact O-N 3.15Å; G162-G164 PolarHBondContact O-N 3.13Å; G162-E165 WeakPolarHBondContact CA-OE1 3.31Å; G162-E165 WeakPolarHBondContact CA-OE2 3.3Å
163L88.2Confident73Confident18 Ų1866.1 Ų66.19%0.09436%0.361CS..THydrogen-bonded Turntrans-73.4127-178.9-50.5-176.6000109.3C142 A144 I157 I158 L161 E165 L181C142-L163 HydrophobicContact CB-CD2 4.04Å; C142-L163 VanDerWaalsContact SG-CD2 3.59Å; A144-L163 HydrophobicContact CB-CD1 3.9Å; I157-L163 HydrophobicContact CG2-CD1 3.94Å; I158-L163 HydrophobicContact CG1-CD1 4.41Å; I158-L163 HydrophobicContact CG2-CB 4.35Å; I158-L163 PolarHBondContact O-N 3.38Å; L161-L163 HydrophobicContact CB-CD2 3.84Å; L161-L163 HydrophobicContact CB-CG 4.01Å; L163-E165 VanDerWaalsContact C-N 3.27Å; L163-E165 PolarHBondContact O-N 3.1Å; L163-L181 HydrophobicContact CB-CD1 4.01Å; L163-L181 HydrophobicContact CB-CD2 4.28Å; L163-L181 HydrophobicContact CD1-CD1 4.45Å
164G81.3Confident70.8Confident32 Ų3270.8 Ų70.833%0.3339%0.393SS..THydrogen-bonded Turntrans80.6-17.1-174.900000116.1G162 L166 S167G162-G164 PolarHBondContact O-N 3.13Å; G164-L166 VanDerWaalsContact C-N 3.33Å; G164-L166 PolarHBondContact O-N 3.16Å; G164-S167 PolarHBondContact O-OG 3.25Å
165E69.8Low68.5Low84 Ų8472 Ų7239%0.39341%0.406SS..G310 helixtrans-64.3-34.9-179.3-66.3175.2-177.700113.7R134 G162 L163R134-E165 IonicContact CZ-OE2 2.67Å; R134-E165 IonicContact NE-OE2 3.65Å; R134-E165 VanDerWaalsContact NH1-CD 3.27Å; R134-E165 IonicContact NH1-OE1 3.44Å; R134-E165 PolarHBondContact NH1-OE1 3.23Å; R134-E165 VanDerWaalsContact NH1-OE1 3.13Å; R134-E165 IonicContact NH1-OE2 2.78Å; R134-E165 PolarHBondContact NH1-OE2 3.13Å; G162-E165 WeakPolarHBondContact CA-OE1 3.31Å; G162-E165 WeakPolarHBondContact CA-OE2 3.3Å; L163-E165 VanDerWaalsContact C-N 3.27Å; L163-E165 PolarHBondContact O-N 3.1Å
166L59Low66.1Low41 Ų4170.3 Ų70.322%0.21542%0.417CS..G310 helixtrans-90.9-6.7-166-69.9165.1000114.4R134 P138 G164 N168R134-L166 HydrophobicContact CG-CD1 4.12Å; R134-L166 HydrophobicContact CG-CD2 4.46Å; P138-L166 HydrophobicContact CB-CD1 4.41Å; P138-L166 HydrophobicContact CB-CD2 4.29Å; P138-L166 WeakPolarHBondContact O-CD1 3.35Å; G164-L166 VanDerWaalsContact C-N 3.33Å; G164-L166 PolarHBondContact O-N 3.16Å; L166-N168 PolarHBondContact O-N 3.42Å
167S52.4Low64Low38 Ų3874.1 Ų74.127%0.26643%0.432SS..G310 helixtrans-65.9-23.4175.951.90000113.1G164G164-S167 PolarHBondContact O-OG 3.25Å
168N45.8Very low61.6Low130 Ų13080.8 Ų80.870%0.69547%0.466SS*.G310 helixtrans-96.1-5.7-168.2-61.32.1000113.7L166L166-N168 PolarHBondContact O-N 3.42Å
169H48.1Very low59.7Low157 Ų15780.6 Ų80.673%0.72748%0.475SS*.SBendtrans-116.9-4.9-174.4-84.2-71.4000115.1S171H169-S171 PolarHBondContact O-N 2.84Å
170S41.8Very low58.8Low58 Ų5878.1 Ų78.141%0.40647%0.469SS..  trans-93.494.5178.4550000112.1I172S170-I172 PolarHBondContact O-N 3.18Å
171S43Very low58.5Low128 Ų12880.1 Ų80.190%0.89548%0.476SS*.  trans-70.425.5166.4-57.50000113.1H169H169-S171 PolarHBondContact O-N 2.84Å
172I46Very low58.3Low117 Ų11784.7 Ų84.760%0.650%0.498SS*.  trans-124.990.6-173-62.6178000106.5S170 S174S170-I172 PolarHBondContact O-N 3.18Å; I172-S174 VanDerWaalsContact CG2-OG 3.29Å; I172-S174 WeakPolarHBondContact CG2-OG 3.23Å; I172-S174 PolarHBondContact O-N 3.06Å
173S36.6Very low58.4Low97 Ų9789.1 Ų89.168%0.67852%0.518SS*.  trans-75.81.4-176.646.80000114.3L175 G176S173-L175 PolarHBondContact O-N 3.02Å; S173-G176 PolarHBondContact O-N 3Å
174S44.5Very low58.6Low98 Ų9895.5 Ų95.569%0.68555%0.546SS*.THydrogen-bonded Turntrans-73.87.8-165.364.20000116.6I172I172-S174 VanDerWaalsContact CG2-OG 3.29Å; I172-S174 WeakPolarHBondContact CG2-OG 3.23Å; I172-S174 PolarHBondContact O-N 3.06Å
175L45.7Very low58.9Low124 Ų12498.9 Ų98.965%0.64955%0.551SS**THydrogen-bonded Turntrans-131.610.1176.3-136.984.5000115S173 F177S173-L175 PolarHBondContact O-N 3.02Å; L175-F177 WeakPolarHBondContact O-CD2 3.41Å; L175-F177 PolarHBondContact O-N 3.25Å
176G40.4Very low59.8Low69 Ų6997.6 Ų97.671%0.71155%0.551SS**  trans68.8-14.3171.100000117.5S173 I178S173-G176 PolarHBondContact O-N 3Å; G176-I178 PolarHBondContact O-N 2.99Å
177F48.3Very low61.2Low121 Ų12197.9 Ų97.953%0.53156%0.556SS.*  trans-78.259.2178.5-80.6-80.9000113.3P141 L175 G179P141-F177 HydrophobicContact CG-CD1 4.25Å; P141-F177 HydrophobicContact CG-CD2 3.84Å; P141-F177 HydrophobicContact CG-CE1 4.39Å; P141-F177 HydrophobicContact CG-CE2 3.99Å; P141-F177 HydrophobicContact CG-CG 3.97Å; P141-F177 HydrophobicContact CG-CZ 4.26Å; L175-F177 WeakPolarHBondContact O-CD2 3.41Å; L175-F177 PolarHBondContact O-N 3.25Å; F177-G179 PolarHBondContact O-N 3.47Å
178I43.6Very low62.9Low151 Ų15196.8 Ų96.877%0.77455%0.548SS*.  trans-83.986.8162.4-55.4175.3000106.6G176G176-I178 PolarHBondContact O-N 2.99Å
179G54.1Low65.1Low39 Ų3992.8 Ų92.840%0.40253%0.525SS..  trans-141.2137.8-171.600000113.4F177F177-G179 PolarHBondContact O-N 3.47Å
180N71.5Confident67.2Low103 Ų10386.8 Ų86.855%0.55150%0.496SS*.  trans-70.1176.9167.6-70.9-35.8000110.9E182N180-E182 PolarHBondContact O-N 3.38Å; N180-E182 VanDerWaalsContact O-N 3.07Å
181L86Confident69.6Low76 Ų7687.3 Ų87.340%0.39850%0.498SS..  trans-69.4101.4169.8174.356.9000111.1I158 L163I158-L181 HydrophobicContact CB-CD2 4.46Å; I158-L181 HydrophobicContact CD1-CD2 3.61Å; I158-L181 HydrophobicContact CG1-CD2 3.63Å; I158-L181 HydrophobicContact CG2-CD2 4Å; L163-L181 HydrophobicContact CB-CD1 4.01Å; L163-L181 HydrophobicContact CB-CD2 4.28Å; L163-L181 HydrophobicContact CD1-CD1 4.45Å
182E90.3Very high72Confident97 Ų9782.4 Ų82.445%0.45346%0.461SS..  trans-78.4132.8169-64-65.8147.700111N180 F184N180-E182 PolarHBondContact O-N 3.38Å; N180-E182 VanDerWaalsContact O-N 3.07Å; E182-F184 HydrophobicContact CB-CE2 4.02Å; E182-F184 HydrophobicContact CB-CZ 4.44Å
183E90.4Very high74.4Confident93 Ų9376.9 Ų76.944%0.43543%0.433SS..  trans-123.3128.3-179.4-178.3175.8-177.400112.6R154R154-E183 WeakPolarHBondContact CD-OE1 3.48Å; R154-E183 IonicContact CZ-OE2 3.99Å; R154-E183 VanDerWaalsContact NE-CD 3.26Å; R154-E183 IonicContact NE-OE1 2.74Å; R154-E183 PolarHBondContact NE-OE1 2.86Å; R154-E183 IonicContact NE-OE2 3.25Å; R154-E183 PolarHBondContact NE-OE2 3.41Å; R154-E183 IonicContact NH2-OE2 2.64Å; R154-E183 PolarHBondContact NH2-OE2 3.2Å
184F91.8Very high77.3Confident152 Ų15274.6 Ų74.667%0.66741%0.41SS*.  trans-11283.2178.8-61.2-82.9000111.2E182E182-F184 HydrophobicContact CB-CE2 4.02Å; E182-F184 HydrophobicContact CB-CZ 4.44Å
185K89Confident79.9Confident103 Ų10370 Ų7045%0.44838%0.378SS..  trans-83.7134.2169.7-168.3174.5-175.6175.70109.8F390 K391 D392K185-F390 PolarHBondContact NZ-O 2.85Å; K185-K391 PolarHBondContact NZ-O 3.28Å; K185-D392 VanDerWaalsContact CE-OD1 3.24Å; K185-D392 WeakPolarHBondContact CE-OD1 3.47Å; K185-D392 IonicContact NZ-OD1 3.13Å
186C87.5Confident82.4Confident58 Ų5864.4 Ų64.439%0.39235%0.349SS..  trans-116.7148.7166.7-45.40000107.3M1M1-C186 HydrophobicContact CB-CB 4.45Å
187S89Confident85.1Confident46 Ų4661.6 Ų61.632%0.32232%0.318SS..  trans-57.6149-179.9-179.20000112.4F189 D392S187-F189 VanDerWaalsContact C-N 3.3Å; S187-F189 PolarHBondContact OG-N 3Å; S187-D392 WeakPolarHBondContact CA-OD2 3.3Å; S187-D392 VanDerWaalsContact CB-OD2 3.29Å; S187-D392 WeakPolarHBondContact CB-OD2 3.42Å; S187-D392 PolarHBondContact OG-OD2 3.14Å
188V88.7Confident87.4Confident16 Ų1656.9 Ų56.910%0.09730%0.298CS..SBendtrans-77.2-18.9175-560000112.4Y316 M386 F390 D392V188-Y316 WeakPolarHBondContact CA-OH 3.24Å; V188-Y316 HydrophobicContact CB-CE2 3.91Å; V188-Y316 WeakPolarHBondContact O-CE2 3.42Å; V188-Y316 PolarHBondContact O-OH 3.43Å; V188-M386 HydrophobicContact CG2-CB 4.38Å; V188-F390 HydrophobicContact CB-CD2 4.31Å; V188-F390 HydrophobicContact CG1-CB 3.91Å; V188-F390 HydrophobicContact CG1-CD2 3.73Å; V188-F390 HydrophobicContact CG1-CE2 4.48Å; V188-F390 HydrophobicContact CG1-CG 3.97Å; V188-F390 HydrophobicContact CG2-CD2 4.38Å; V188-D392 HydrophobicContact CG1-CB 4.44Å; V188-D392 HydrophobicContact CG2-CB 4.18Å; V188-D392 PolarHBondContact N-OD2 3.46Å
189F91.8Very high89.9Confident46 Ų4650 Ų5020%0.20226%0.263CS..  trans-68.7134.2179.6179.4-117.4000112.1S187 P191 H383 A395S187-F189 VanDerWaalsContact C-N 3.3Å; S187-F189 PolarHBondContact OG-N 3Å; F189-P191 HydrophobicContact CE1-CB 3.87Å; F189-P191 HydrophobicContact CE1-CG 4.24Å; F189-P191 HydrophobicContact CZ-CB 3.85Å; F189-H383 HydrophobicContact CD2-CB 3.95Å; F189-H383 AromaticContact CD2-CD2 3.61Å; F189-H383 AromaticContact CD2-CG 3.65Å; F189-H383 AromaticContact CD2-NE2 4Å; F189-H383 HydrophobicContact CE2-CB 4.26Å; F189-H383 AromaticContact CE2-CE1 3.89Å; F189-H383 AromaticContact CE2-CG 3.78Å; F189-H383 AromaticContact CE2-ND1 3.72Å; F189-A395 HydrophobicContact CB-CB 4Å; F189-A395 HydrophobicContact CD1-CB 3.6Å; F189-A395 HydrophobicContact CE1-CB 4.25Å; F189-A395 HydrophobicContact CG-CB 3.87Å
190R91.2Very high91.7Very high30 Ų3048.4 Ų48.411%0.11325%0.247CC..  trans-134.5102.4176.1-74178.757.7-166-7.5109.1N192 L193 G320 A322 G323R190-N192 PolarHBondContact O-N 3.32Å; R190-N192 VanDerWaalsContact O-N 3.08Å; R190-L193 HydrophobicContact CB-CD1 4.08Å; R190-L193 HydrophobicContact CB-CG 4Å; R190-L193 PolarHBondContact O-N 3.44Å; R190-G320 PolarHBondContact NH1-O 3.2Å; R190-A322 PolarHBondContact NH2-O 3.24Å; R190-G323 PolarHBondContact NH2-O 3.47Å
191P92.5Very high92.6Very high69 Ų6946.1 Ų46.145%0.44824%0.235SC..THydrogen-bonded Turntrans-64.7-17.7-173.125.1-34.4000113.7F189 L193 H400F189-P191 HydrophobicContact CE1-CB 3.87Å; F189-P191 HydrophobicContact CE1-CG 4.24Å; F189-P191 HydrophobicContact CZ-CB 3.85Å; P191-L193 VanDerWaalsContact C-N 3.26Å; P191-L193 PolarHBondContact O-N 2.87Å; P191-H400 PolarHBondContact O-CE1 3.23Å; P191-H400 PolarHBondContact O-ND1 2.97Å
192N94.3Very high92.9Very high25 Ų2543.4 Ų43.413%0.13422%0.22CC..THydrogen-bonded Turntrans-80.1-2.6175.482.3-66.2000114.2R190 G323 G326 L327 Q328 A329R190-N192 PolarHBondContact O-N 3.32Å; R190-N192 VanDerWaalsContact O-N 3.08Å; N192-G323 WeakPolarHBondContact ND2-CA 3.42Å; N192-G323 PolarHBondContact ND2-O 2.86Å; N192-G326 VanDerWaalsContact CB-O 3.23Å; N192-G326 WeakPolarHBondContact CB-O 3.36Å; N192-L327 PolarHBondContact ND2-O 3.2Å; N192-Q328 CarbonylContact O-C 3.55Å; N192-Q328 WeakPolarHBondContact O-CA 3.36Å; N192-Q328 PolarHBondContact O-NE2 3.33Å; N192-A329 PolarHBondContact O-N 2.9Å
193L95.9Very high92.9Very high2 Ų241.2 Ų41.21%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-103131.3174.2-58.4-172.4000110.2R190 P191 Y195 A322 A329 H383R190-L193 HydrophobicContact CB-CD1 4.08Å; R190-L193 HydrophobicContact CB-CG 4Å; R190-L193 PolarHBondContact O-N 3.44Å; P191-L193 VanDerWaalsContact C-N 3.26Å; P191-L193 PolarHBondContact O-N 2.87Å; L193-Y195 HydrophobicContact CB-CD2 4.23Å; L193-Y195 HydrophobicContact CB-CE2 3.7Å; L193-Y195 HydrophobicContact CD1-CE2 4Å; L193-A322 HydrophobicContact CD2-CB 3.75Å; L193-A329 WeakPolarHBondContact CA-O 3.34Å; L193-A329 HydrophobicContact CD2-CB 4.02Å; L193-H383 PolarHBondContact O-CE1 3.47Å
194Y98Very high92.7Very high48 Ų4840.8 Ų40.819%0.18821%0.212CC..EExtended strand (participates in β ladder)trans-105.3126169.8175.6-92.6000109.7D196 A329 S330 C331 H400 D402 V405Y194-D196 HydrophobicContact CE1-CB 3.79Å; Y194-A329 PolarHBondContact N-O 3.08Å; Y194-S330 CarbonylContact O-C 3.46Å; Y194-C331 PolarHBondContact O-N 3.22Å; Y194-H400 WeakPolarHBondContact CA-O 3.45Å; Y194-D402 WeakPolarHBondContact OH-CA 3.18Å; Y194-D402 PolarHBondContact OH-N 2.69Å; Y194-V405 HydrophobicContact CE2-CG2 3.98Å
195Y98.2Very high92.7Very high3 Ų337.7 Ų37.71%0.01220%0.203CC..EExtended strand (participates in β ladder)trans-108.1131.2-178.5-79.1-90.5000112.7L193 Y315 S319 C331 H383 M386 H400 C401 D402L193-Y195 HydrophobicContact CB-CD2 4.23Å; L193-Y195 HydrophobicContact CB-CE2 3.7Å; L193-Y195 HydrophobicContact CD1-CE2 4Å; Y195-Y315 AromaticContact CD1-CE1 3.84Å; Y195-Y315 HydrophobicContact CD1-CE1 3.84Å; Y195-Y315 AromaticContact CD1-CZ 3.95Å; Y195-Y315 VanDerWaalsContact CD1-OH 3.32Å; Y195-Y315 WeakPolarHBondContact CD1-OH 3.37Å; Y195-Y315 AromaticContact CE1-CE1 3.66Å; Y195-Y315 HydrophobicContact CE1-CE1 3.66Å; Y195-Y315 AromaticContact CE1-CZ 3.83Å; Y195-S319 WeakPolarHBondContact CE1-OG 3.34Å; Y195-S319 PolarHBondContact OH-OG 3.3Å; Y195-C331 WeakPolarHBondContact CA-O 3.41Å; Y195-C331 HydrophobicContact CD1-CB 3.38Å; Y195-C331 HydrophobicContact CD2-CB 4.35Å; Y195-C331 HydrophobicContact CE1-CB 3.3Å; Y195-C331 HydrophobicContact CE2-CB 4.31Å; Y195-C331 HydrophobicContact CG-CB 3.93Å; Y195-H383 AromaticContact CD2-CD2 3.99Å; Y195-H383 AromaticContact CD2-CE1 3.65Å; Y195-H383 AromaticContact CD2-NE2 3.31Å; Y195-H383 VanDerWaalsContact CD2-NE2 3.31Å; Y195-H383 WeakPolarHBondContact CD2-NE2 3.25Å; Y195-H383 AromaticContact CE2-NE2 3.47Å; Y195-H383 WeakPolarHBondContact CE2-NE2 3.33Å; Y195-M386 HydrophobicContact CD1-CE 3.8Å; Y195-M386 HydrophobicContact CE1-CE 3.45Å; Y195-M386 VanDerWaalsContact CE1-CE 3.45Å; Y195-M386 HydrophobicContact CE1-SD 4.49Å; Y195-M386 HydrophobicContact CE2-CE 4.43Å; Y195-M386 HydrophobicContact CG-CE 4.43Å; Y195-H400 PolarHBondContact N-O 3.48Å; Y195-C401 CarbonylContact O-C 3.47Å; Y195-C401 WeakPolarHBondContact O-CA 3.29Å; Y195-C401 VanDerWaalsContact O-CB 3.24Å; Y195-C401 WeakPolarHBondContact O-CB 3.4Å; Y195-D402 PolarHBondContact O-N 3.39Å
196D97.9Very high92.9Very high6 Ų634 Ų343%0.03219%0.188CC..EExtended strand (participates in β ladder)trans-143.1161.6172.572.1-0.5000115.9Y194 C331 R332 I333 D402Y194-D196 HydrophobicContact CE1-CB 3.79Å; D196-C331 PolarHBondContact N-O 3.46Å; D196-C331 VanDerWaalsContact N-O 3.08Å; D196-R332 WeakPolarHBondContact O-CA 3.4Å; D196-R332 WeakPolarHBondContact OD1-CA 3.31Å; D196-R332 WeakPolarHBondContact OD1-CB 3.12Å; D196-R332 WeakPolarHBondContact OD1-CG 3.3Å; D196-R332 IonicContact OD1-CZ 2.99Å; D196-R332 IonicContact OD1-NE 2.74Å; D196-R332 PolarHBondContact OD1-NE 3.33Å; D196-R332 IonicContact OD1-NH2 2.63Å; D196-R332 IonicContact OD2-CZ 3.56Å; D196-R332 IonicContact OD2-NE 3.68Å; D196-R332 PolarHBondContact OD2-NE 2.93Å; D196-R332 IonicContact OD2-NH2 3.02Å; D196-R332 PolarHBondContact OD2-NH2 3.23Å; D196-I333 PolarHBondContact O-N 2.89Å; D196-D402 HydrophobicContact CB-CB 3.62Å
197V97.8Very high93.3Very high10 Ų1035.1 Ų35.16%0.06118%0.184CC..EExtended strand (participates in β ladder)trans-124126177.5171.70000109.2F199 Y375 V376 D402V197-F199 HydrophobicContact CG1-CE2 4.18Å; V197-F199 HydrophobicContact CG1-CZ 4.13Å; V197-Y375 HydrophobicContact CG2-CE1 4.43Å; V197-V376 HydrophobicContact CG1-CG1 3.76Å; V197-D402 PolarHBondContact N-OD2 3.25Å
198V97.1Very high93.5Very high21 Ų2135.1 Ų35.113%0.12719%0.187CC..EExtended strand (participates in β ladder)trans-115.5119.2175.6179.50000109.4G200 L203 R332 I333 Y334 Y335V198-G200 PolarHBondContact O-N 2.82Å; V198-L203 HydrophobicContact CG1-CD1 3.84Å; V198-L203 HydrophobicContact CG1-CD2 4.44Å; V198-L203 HydrophobicContact CG1-CG 4.35Å; V198-R332 HydrophobicContact CG2-CG 4.23Å; V198-I333 PolarHBondContact N-O 2.89Å; V198-Y334 HydrophobicContact CB-CD1 4.04Å; V198-Y334 HydrophobicContact CB-CE1 4.03Å; V198-Y334 HydrophobicContact CG1-CD1 3.96Å; V198-Y334 HydrophobicContact CG1-CE1 3.81Å; V198-Y334 CarbonylContact O-C 3.53Å; V198-Y334 WeakPolarHBondContact O-CA 3.39Å; V198-Y335 PolarHBondContact O-N 3.08Å
199F95.2Very high93.9Very high6 Ų636.3 Ų36.33%0.02619%0.193CC..EExtended strand (participates in β ladder)trans-77.4100.4176.8-62.7-86.4000109.2V197 D201 L202 Y335 N413 L414 F417V197-F199 HydrophobicContact CG1-CE2 4.18Å; V197-F199 HydrophobicContact CG1-CZ 4.13Å; F199-D201 VanDerWaalsContact C-N 3.29Å; F199-D201 PolarHBondContact O-N 3.36Å; F199-L202 HydrophobicContact CB-CB 4.37Å; F199-L202 HydrophobicContact CB-CD1 3.9Å; F199-L202 HydrophobicContact CB-CG 4.03Å; F199-L202 HydrophobicContact CG-CD1 4.48Å; F199-L202 WeakPolarHBondContact O-CB 3.37Å; F199-L202 PolarHBondContact O-N 2.91Å; F199-Y335 CarbonylContact C-O 3.5Å; F199-Y335 AromaticContact CD1-CD1 3.81Å; F199-Y335 HydrophobicContact CD1-CD1 3.81Å; F199-Y335 AromaticContact CE1-CD1 3.86Å; F199-Y335 HydrophobicContact CE1-CD1 3.86Å; F199-Y335 HydrophobicContact CE1-CE1 4.37Å; F199-N413 HydrophobicContact CD2-CB 3.82Å; F199-N413 HydrophobicContact CE2-CB 4.08Å; F199-L414 HydrophobicContact CE1-CD1 4.09Å; F199-L414 HydrophobicContact CE2-CB 4.47Å; F199-L414 HydrophobicContact CZ-CB 4.13Å; F199-L414 HydrophobicContact CZ-CD1 3.91Å; F199-F417 HydrophobicContact CB-CB 4.4Å; F199-F417 HydrophobicContact CB-CD2 3.93Å; F199-F417 HydrophobicContact CB-CG 4.42Å; F199-F417 HydrophobicContact CD1-CB 3.68Å; F199-F417 AromaticContact CD1-CD1 3.82Å; F199-F417 HydrophobicContact CD1-CD1 3.82Å; F199-F417 AromaticContact CD1-CD2 3.49Å; F199-F417 HydrophobicContact CD1-CD2 3.49Å; F199-F417 VanDerWaalsContact CD1-CD2 3.49Å; F199-F417 HydrophobicContact CD1-CE1 4.28Å; F199-F417 AromaticContact CD1-CE2 3.95Å; F199-F417 HydrophobicContact CD1-CE2 3.95Å; F199-F417 AromaticContact CD1-CG 3.38Å; F199-F417 HydrophobicContact CD1-CG 3.38Å; F199-F417 HydrophobicContact CD1-CZ 4.32Å; F199-F417 HydrophobicContact CE1-CB 4.16Å; F199-F417 AromaticContact CE1-CD1 3.95Å; F199-F417 HydrophobicContact CE1-CD1 3.95Å; F199-F417 HydrophobicContact CE1-CD2 4.42Å; F199-F417 HydrophobicContact CE1-CE1 4.42Å; F199-F417 AromaticContact CE1-CG 3.94Å; F199-F417 HydrophobicContact CE1-CG 3.94Å; F199-F417 HydrophobicContact CG-CB 4.08Å; F199-F417 HydrophobicContact CG-CD2 4.1Å; F199-F417 HydrophobicContact CG-CG 4.15Å
200G92.6Very high94.1Very high7 Ų734.1 Ų34.17%0.07218%0.183CC..G310 helixtrans-61.9-34-171.200000113.7V198 L202 L203 Y335V198-G200 PolarHBondContact O-N 2.82Å; G200-L202 PolarHBondContact O-N 3.34Å; G200-L202 VanDerWaalsContact O-N 3.1Å; G200-L203 PolarHBondContact O-N 2.91Å; G200-Y335 PolarHBondContact N-O 3.17Å
201D90.3Very high94.3Very high54 Ų5433.5 Ų33.529%0.28918%0.182SC..G310 helixtrans-65.2-8.8174.5-60.7-63.8000113.9F199 F336 K337 F417 L420F199-D201 VanDerWaalsContact C-N 3.29Å; F199-D201 PolarHBondContact O-N 3.36Å; D201-F336 VanDerWaalsContact OD2-CA 3.3Å; D201-F336 WeakPolarHBondContact OD2-CA 3.35Å; D201-K337 PolarHBondContact OD2-N 2.8Å; D201-F417 HydrophobicContact CB-CE2 4.47Å; D201-F417 WeakPolarHBondContact OD2-CE2 3.33Å; D201-L420 HydrophobicContact CB-CD1 3.64Å
202L90.7Very high94.4Very high19 Ų1935.5 Ų35.510%0.09919%0.185CC..G310 helixtrans-102.57.6176.8-60.4-175.6000114.2F199 G200 N413 L416 F417 L420 T566 R570F199-L202 HydrophobicContact CB-CB 4.37Å; F199-L202 HydrophobicContact CB-CD1 3.9Å; F199-L202 HydrophobicContact CB-CG 4.03Å; F199-L202 HydrophobicContact CG-CD1 4.48Å; F199-L202 WeakPolarHBondContact O-CB 3.37Å; F199-L202 PolarHBondContact O-N 2.91Å; G200-L202 PolarHBondContact O-N 3.34Å; G200-L202 VanDerWaalsContact O-N 3.1Å; L202-N413 HydrophobicContact CD1-CB 4.33Å; L202-N413 VanDerWaalsContact CD1-O 3.25Å; L202-N413 WeakPolarHBondContact CD1-O 3.48Å; L202-L416 HydrophobicContact CD1-CB 3.59Å; L202-L416 HydrophobicContact CD1-CD1 4.48Å; L202-L416 HydrophobicContact CD2-CB 4Å; L202-L416 HydrophobicContact CG-CB 4.49Å; L202-F417 HydrophobicContact CD1-CB 4.15Å; L202-L420 HydrophobicContact CD2-CD1 3.96Å; L202-L420 HydrophobicContact CD2-CD2 4.48Å; L202-L420 HydrophobicContact CD2-CG 4.35Å; L202-T566 HydrophobicContact CD2-CG2 4.41Å; L202-R570 PolarHBondContact O-NH2 2.82Å
203L90.4Very high94.6Very high52 Ų5234.7 Ų34.727%0.27218%0.181SC..  trans-100.6150.8175.2-60.3176.2000111.7V198 G200 I206 D209 Y334V198-L203 HydrophobicContact CG1-CD1 3.84Å; V198-L203 HydrophobicContact CG1-CD2 4.44Å; V198-L203 HydrophobicContact CG1-CG 4.35Å; G200-L203 PolarHBondContact O-N 2.91Å; L203-I206 HydrophobicContact CB-CB 4.46Å; L203-I206 HydrophobicContact CD1-CB 4.06Å; L203-I206 HydrophobicContact CD1-CD1 4.27Å; L203-I206 HydrophobicContact CD1-CG1 3.82Å; L203-D209 HydrophobicContact CD1-CB 3.78Å; L203-Y334 HydrophobicContact CD1-CE1 4.22Å
204D88.1Confident94.6Very high83 Ų8334.6 Ų34.644%0.44418%0.18SC..SBendtrans-86.4-38.5172.5-72.7-103.4000112.1R567 R570D204-R567 IonicContact OD1-CZ 2.74Å; D204-R567 VanDerWaalsContact OD1-CZ 3.29Å; D204-R567 IonicContact OD1-NE 3.72Å; D204-R567 PolarHBondContact OD1-NE 3.06Å; D204-R567 IonicContact OD1-NH2 3.66Å; D204-R567 PolarHBondContact OD1-NH2 3.44Å; D204-R570 IonicContact OD2-CZ 2.77Å; D204-R570 IonicContact OD2-NH1 3.46Å; D204-R570 PolarHBondContact OD2-NH1 3.46Å; D204-R570 IonicContact OD2-NH2 3.55Å; D204-R570 PolarHBondContact OD2-NH2 3.38Å
205D90.8Very high94.4Very high87 Ų8733 Ų3347%0.46518%0.176SC..  trans-132.4115.5164.1-174.6-14000108.7Y207 A208D205-Y207 PolarHBondContact OD1-N 2.95Å; D205-A208 HydrophobicContact CB-CB 4.02Å; D205-A208 PolarHBondContact OD1-N 3.39Å
206I93.9Very high94.2Very high26 Ų2639 Ų3913%0.13321%0.205CC..Hα-helixtrans-82.1-28.7179.7-173.9162.1000113.1L203 A208 D209 V210 W306 Y334 F336L203-I206 HydrophobicContact CB-CB 4.46Å; L203-I206 HydrophobicContact CD1-CB 4.06Å; L203-I206 HydrophobicContact CD1-CD1 4.27Å; L203-I206 HydrophobicContact CD1-CG1 3.82Å; I206-A208 VanDerWaalsContact C-N 3.29Å; I206-A208 PolarHBondContact O-N 3.42Å; I206-D209 PolarHBondContact O-N 3.24Å; I206-V210 HydrophobicContact CG1-CG2 4.42Å; I206-V210 WeakPolarHBondContact O-CG2 3.5Å; I206-V210 PolarHBondContact O-N 3.04Å; I206-W306 HydrophobicContact CD1-CH2 3.63Å; I206-W306 HydrophobicContact CD1-CZ3 3.62Å; I206-W306 HydrophobicContact CG1-CH2 3.81Å; I206-W306 HydrophobicContact CG1-CZ3 3.74Å; I206-W306 HydrophobicContact CG2-CH2 4Å; I206-Y334 HydrophobicContact CD1-CD1 3.74Å; I206-Y334 HydrophobicContact CD1-CE1 4.38Å; I206-Y334 HydrophobicContact CG1-CD1 3.99Å; I206-Y334 HydrophobicContact CG1-CE1 4.12Å; I206-F336 HydrophobicContact CD1-CE1 3.4Å; I206-F336 VanDerWaalsContact CD1-CE1 3.4Å; I206-F336 HydrophobicContact CD1-CZ 3.32Å
207Y94.8Very high94.1Very high82 Ų8239.7 Ų39.732%0.32221%0.21SC..Hα-helixtrans-73-28.3178.5-62.8-73.7000111D205 L211 L247 K250 W306D205-Y207 PolarHBondContact OD1-N 2.95Å; Y207-L211 WeakPolarHBondContact O-CB 3.42Å; Y207-L211 PolarHBondContact O-N 2.88Å; Y207-L247 HydrophobicContact CD1-CD1 3.82Å; Y207-L247 HydrophobicContact CE1-CD1 3.8Å; Y207-K250 HydrophobicContact CD1-CB 4.12Å; Y207-K250 HydrophobicContact CD1-CG 3.45Å; Y207-K250 VanDerWaalsContact CD1-CG 3.45Å; Y207-K250 HydrophobicContact CD2-CG 4.21Å; Y207-K250 HydrophobicContact CE1-CB 4.21Å; Y207-K250 HydrophobicContact CE1-CG 3.89Å; Y207-K250 HydrophobicContact CG-CD 4.5Å; Y207-K250 HydrophobicContact CG-CG 3.62Å; Y207-W306 HydrophobicContact CE1-CH2 4.24Å; Y207-W306 HydrophobicContact CE1-CZ2 4.35Å
208A93.8Very high93.9Very high46 Ų4639.5 Ų39.538%0.3821%0.209SC..Hα-helixtrans-63.7-46.8167.900000112.1D205 I206 L211 Q212D205-A208 HydrophobicContact CB-CB 4.02Å; D205-A208 PolarHBondContact OD1-N 3.39Å; I206-A208 VanDerWaalsContact C-N 3.29Å; I206-A208 PolarHBondContact O-N 3.42Å; A208-L211 PolarHBondContact O-N 3.13Å; A208-Q212 WeakPolarHBondContact O-CB 3.23Å; A208-Q212 PolarHBondContact O-N 2.78Å
209D95.9Very high93.5Very high41 Ų4140.8 Ų40.822%0.21923%0.226CC..Hα-helixtrans-64.2-42.5178.4-171.1-83000112.1L203 I206 Q212 F213 R332 Y334L203-D209 HydrophobicContact CD1-CB 3.78Å; I206-D209 PolarHBondContact O-N 3.24Å; D209-Q212 PolarHBondContact O-N 3.31Å; D209-F213 WeakPolarHBondContact O-CB 3.49Å; D209-F213 PolarHBondContact O-N 3.5Å; D209-R332 IonicContact OD1-NH1 2.74Å; D209-R332 PolarHBondContact OD1-NH1 3Å; D209-Y334 VanDerWaalsContact OD1-CE1 3.26Å; D209-Y334 WeakPolarHBondContact OD1-CE1 3.23Å; D209-Y334 VanDerWaalsContact OD1-CZ 3.3Å; D209-Y334 PolarHBondContact OD1-OH 3.44Å
210V96.7Very high93.3Very high0 Ų041.5 Ų41.50%023%0.229CC..Hα-helixtrans-62.3-44.9173.1175.30000111.4I206 A214 L247 L251 L304 W306 Y334I206-V210 HydrophobicContact CG1-CG2 4.42Å; I206-V210 WeakPolarHBondContact O-CG2 3.5Å; I206-V210 PolarHBondContact O-N 3.04Å; V210-A214 WeakPolarHBondContact O-CB 3.41Å; V210-A214 PolarHBondContact O-N 3.08Å; V210-L247 HydrophobicContact CG1-CD1 4.45Å; V210-L251 HydrophobicContact CG1-CD1 4.26Å; V210-L251 HydrophobicContact CG1-CD2 3.93Å; V210-L304 HydrophobicContact CG1-CD1 3.8Å; V210-W306 HydrophobicContact CG2-CE3 4.2Å; V210-W306 HydrophobicContact CG2-CZ3 3.68Å; V210-Y334 HydrophobicContact CG2-CD1 4.49Å; V210-Y334 HydrophobicContact CG2-CD2 4.39Å; V210-Y334 HydrophobicContact CG2-CE1 3.93Å; V210-Y334 HydrophobicContact CG2-CE2 3.81Å
211L95.7Very high92.9Very high16 Ų1645 Ų458%0.08425%0.246CC..Hα-helixtrans-61-46.8178.6-176.675.9000110.9Y207 A208 A214 A215 W220 L251 L254 L256Y207-L211 WeakPolarHBondContact O-CB 3.42Å; Y207-L211 PolarHBondContact O-N 2.88Å; A208-L211 PolarHBondContact O-N 3.13Å; L211-A214 PolarHBondContact O-N 3.29Å; L211-A215 WeakPolarHBondContact O-CB 3.49Å; L211-A215 PolarHBondContact O-N 2.81Å; L211-W220 HydrophobicContact CD1-CZ3 4.13Å; L211-L251 HydrophobicContact CB-CD2 4.36Å; L211-L251 HydrophobicContact CD1-CD2 4.14Å; L211-L254 HydrophobicContact CB-CD1 4.48Å; L211-L254 HydrophobicContact CD1-CB 3.8Å; L211-L254 HydrophobicContact CD2-CB 3.87Å; L211-L254 HydrophobicContact CD2-CD1 4.27Å; L211-L254 HydrophobicContact CD2-CG 4.5Å; L211-L254 HydrophobicContact CG-CB 4.44Å; L211-L256 HydrophobicContact CD1-CB 3.65Å; L211-L256 HydrophobicContact CD1-CD2 3.89Å; L211-L256 HydrophobicContact CD1-CG 4.44Å
212Q95.3Very high92.3Very high112 Ų11248.6 Ų48.652%0.52326%0.259SS..Hα-helixtrans-61-52.8178.2178.6173.3-2.800111A208 D209 A214 A215 E216A208-Q212 WeakPolarHBondContact O-CB 3.23Å; A208-Q212 PolarHBondContact O-N 2.78Å; D209-Q212 PolarHBondContact O-N 3.31Å; Q212-A214 VanDerWaalsContact C-N 3.3Å; Q212-A214 PolarHBondContact O-N 3.07Å; Q212-A215 PolarHBondContact O-N 2.93Å; Q212-E216 HydrophobicContact CG-CG 4.26Å; Q212-E216 WeakPolarHBondContact CG-OE1 3.23Å; Q212-E216 PolarHBondContact NE2-OE1 3.44Å; Q212-E216 WeakPolarHBondContact O-CB 3.45Å; Q212-E216 WeakPolarHBondContact O-CG 3.3Å; Q212-E216 PolarHBondContact O-N 3.29Å
213F96.9Very high91.4Very high8 Ų852.2 Ų52.24%0.03529%0.286CS..Hα-helixtrans-57.1-42.8178.4170.6-95.5000112.7D209 S217 F302 L304 R332D209-F213 WeakPolarHBondContact O-CB 3.49Å; D209-F213 PolarHBondContact O-N 3.5Å; F213-S217 WeakPolarHBondContact O-CB 3.43Å; F213-S217 PolarHBondContact O-N 3.18Å; F213-S217 PolarHBondContact O-OG 3.05Å; F213-F302 HydrophobicContact CE1-CB 3.9Å; F213-F302 AromaticContact CE1-CD2 3.87Å; F213-F302 HydrophobicContact CE1-CD2 3.87Å; F213-F302 AromaticContact CE1-CG 3.94Å; F213-F302 HydrophobicContact CE1-CG 3.94Å; F213-F302 HydrophobicContact CZ-CB 4.05Å; F213-L304 HydrophobicContact CD1-CD1 3.76Å; F213-L304 HydrophobicContact CD1-CG 4.41Å; F213-L304 HydrophobicContact CE1-CB 4.18Å; F213-L304 HydrophobicContact CE1-CD1 3.93Å; F213-L304 HydrophobicContact CE1-CG 4.15Å; F213-R332 HydrophobicContact CE1-CB 4.02Å; F213-R332 HydrophobicContact CE2-CB 3.85Å; F213-R332 HydrophobicContact CZ-CB 3.52Å
214A96.4Very high90.3Very high0 Ų054.4 Ų54.40%030%0.295CS..Hα-helixtrans-68.4-42.2179.200000111.8V210 L211 Q212 I218 L256 I284 F302V210-A214 WeakPolarHBondContact O-CB 3.41Å; V210-A214 PolarHBondContact O-N 3.08Å; L211-A214 PolarHBondContact O-N 3.29Å; Q212-A214 VanDerWaalsContact C-N 3.3Å; Q212-A214 PolarHBondContact O-N 3.07Å; A214-I218 WeakPolarHBondContact O-CG1 3.38Å; A214-I218 PolarHBondContact O-N 3.12Å; A214-I218 VanDerWaalsContact O-N 3.14Å; A214-L256 HydrophobicContact CB-CD2 3.69Å; A214-I284 HydrophobicContact CB-CD1 3.94Å; A214-F302 HydrophobicContact CB-CE1 3.67Å; A214-F302 HydrophobicContact CB-CZ 3.7Å
215A93.7Very high89.2Confident13 Ų1360.7 Ų60.711%0.10732%0.318CS..Hα-helixtrans-60.9-56.3176.600000112L211 Q212 S217 I218 G219 W220L211-A215 WeakPolarHBondContact O-CB 3.49Å; L211-A215 PolarHBondContact O-N 2.81Å; Q212-A215 PolarHBondContact O-N 2.93Å; A215-S217 VanDerWaalsContact C-N 3.29Å; A215-S217 PolarHBondContact O-N 3.32Å; A215-I218 PolarHBondContact O-N 3.33Å; A215-G219 PolarHBondContact O-N 2.96Å; A215-W220 HydrophobicContact CB-CE3 3.59Å; A215-W220 HydrophobicContact CB-CZ3 4.19Å; A215-W220 PolarHBondContact O-N 2.98Å
216E94Very high88Confident129 Ų12958.7 Ų58.760%0.60331%0.31SS*.Hα-helixtrans-55.8-44.1178-71.5173.317700111.3Q212 G219Q212-E216 HydrophobicContact CG-CG 4.26Å; Q212-E216 WeakPolarHBondContact CG-OE1 3.23Å; Q212-E216 PolarHBondContact NE2-OE1 3.44Å; Q212-E216 WeakPolarHBondContact O-CB 3.45Å; Q212-E216 WeakPolarHBondContact O-CG 3.3Å; Q212-E216 PolarHBondContact O-N 3.29Å; E216-G219 PolarHBondContact O-N 2.83Å
217S95.2Very high87.3Confident21 Ų2160.4 Ų60.415%0.14732%0.32CS..Hα-helixtrans-66.3-41.1-178.4-64.10000113.1F213 A215 R301F213-S217 WeakPolarHBondContact O-CB 3.43Å; F213-S217 PolarHBondContact O-N 3.18Å; F213-S217 PolarHBondContact O-OG 3.05Å; A215-S217 VanDerWaalsContact C-N 3.29Å; A215-S217 PolarHBondContact O-N 3.32Å; S217-R301 WeakPolarHBondContact O-CB 3.2Å; S217-R301 WeakPolarHBondContact O-CG 3.47Å
218I93.7Very high86.8Confident6 Ų658.5 Ų58.53%0.03131%0.312CS..Hα-helixtrans-86.1-8.4-178.972.3-178.9000114.2A214 A215 W220 G232 L256 P283 F302A214-I218 WeakPolarHBondContact O-CG1 3.38Å; A214-I218 PolarHBondContact O-N 3.12Å; A214-I218 VanDerWaalsContact O-N 3.14Å; A215-I218 PolarHBondContact O-N 3.33Å; I218-W220 HydrophobicContact CD1-CB 3.72Å; I218-W220 HydrophobicContact CG1-CB 3.57Å; I218-G232 WeakPolarHBondContact CB-O 3.49Å; I218-G232 PolarHBondContact O-N 2.9Å; I218-L256 HydrophobicContact CD1-CD1 3.83Å; I218-P283 HydrophobicContact CD1-CB 3.8Å; I218-P283 HydrophobicContact CD1-CG 3.93Å; I218-F302 HydrophobicContact CG2-CD1 3.87Å; I218-F302 HydrophobicContact CG2-CE1 3.78Å
219G89.3Confident86Confident48 Ų4860.6 Ų60.650%0.49532%0.32SS..THydrogen-bonded Turntrans77.328.4-173.800000113.7A215 E216 L231A215-G219 PolarHBondContact O-N 2.96Å; E216-G219 PolarHBondContact O-N 2.83Å; G219-L231 WeakPolarHBondContact O-CD2 3.26Å
220W90.6Very high85.3Confident21 Ų2166.6 Ų66.68%0.0834%0.344CS..  trans-94135.7179.8174.467000111.9L211 A215 I218 K222 C226 W228 L231 L256L211-W220 HydrophobicContact CD1-CZ3 4.13Å; A215-W220 HydrophobicContact CB-CE3 3.59Å; A215-W220 HydrophobicContact CB-CZ3 4.19Å; A215-W220 PolarHBondContact O-N 2.98Å; I218-W220 HydrophobicContact CD1-CB 3.72Å; I218-W220 HydrophobicContact CG1-CB 3.57Å; W220-K222 HydrophobicContact CH2-CD 4.37Å; W220-K222 HydrophobicContact CH2-CG 3.44Å; W220-K222 VanDerWaalsContact CH2-CG 3.44Å; W220-K222 HydrophobicContact CZ2-CB 4.46Å; W220-K222 HydrophobicContact CZ2-CG 3.75Å; W220-K222 HydrophobicContact CZ3-CG 4.01Å; W220-C226 PolarHBondContact NE1-SG 3.16Å; W220-W228 AromaticContact CD1-CZ3 3.65Å; W220-W228 HydrophobicContact CG-CZ3 4.13Å; W220-W228 AromaticContact NE1-CH2 3.8Å; W220-W228 AromaticContact NE1-CZ3 3.87Å; W220-L231 HydrophobicContact CB-CD1 4.28Å; W220-L256 HydrophobicContact CD2-CD1 4.01Å; W220-L256 HydrophobicContact CE3-CB 4.39Å; W220-L256 HydrophobicContact CE3-CD1 3.83Å; W220-L256 HydrophobicContact CE3-CD2 4.22Å; W220-L256 HydrophobicContact CE3-CG 4.36Å; W220-L256 HydrophobicContact CG-CD1 4.47Å; W220-L256 HydrophobicContact CH2-CB 3.98Å; W220-L256 HydrophobicContact CZ3-CB 3.84Å; W220-L256 HydrophobicContact CZ3-CD1 4.16Å; W220-L256 HydrophobicContact CZ3-CD2 4.21Å; W220-L256 HydrophobicContact CZ3-CG 4.28Å
221D83.9Confident84.8Confident82 Ų8268 Ų6844%0.43935%0.352SS..  trans-122.6144.3165.4175.532000110S223 Q224D221-S223 PolarHBondContact O-N 2.88Å; D221-S223 VanDerWaalsContact OD2-CB 3.28Å; D221-S223 WeakPolarHBondContact OD2-CB 2.92Å; D221-S223 PolarHBondContact OD2-OG 2.79Å; D221-Q224 HydrophobicContact CB-CG 4.45Å; D221-Q224 PolarHBondContact O-N 3.17Å; D221-Q224 VanDerWaalsContact O-N 3.16Å
222K78.6Confident84.6Confident129 Ų12967.6 Ų67.656%0.56135%0.351SS*.THydrogen-bonded Turntrans-61.4-21.9-179.4-76180174.6-178.60113.7W220 Q224W220-K222 HydrophobicContact CH2-CD 4.37Å; W220-K222 HydrophobicContact CH2-CG 3.44Å; W220-K222 VanDerWaalsContact CH2-CG 3.44Å; W220-K222 HydrophobicContact CZ2-CB 4.46Å; W220-K222 HydrophobicContact CZ2-CG 3.75Å; W220-K222 HydrophobicContact CZ3-CG 4.01Å; K222-Q224 VanDerWaalsContact C-N 3.26Å; K222-Q224 PolarHBondContact O-N 3.38Å
223S72.1Confident84.5Confident94 Ų9462.4 Ų62.466%0.65733%0.327SS*.THydrogen-bonded Turntrans-69.3-2117770.80000113.9D221D221-S223 PolarHBondContact O-N 2.88Å; D221-S223 VanDerWaalsContact OD2-CB 3.28Å; D221-S223 WeakPolarHBondContact OD2-CB 2.92Å; D221-S223 PolarHBondContact OD2-OG 2.79Å
224Q66.8Low84.5Confident99 Ų9962 Ų6246%0.46333%0.326SS..SBendtrans-89.4134.6-167-58.7-17517.400112.7D221 K222 C226D221-Q224 HydrophobicContact CB-CG 4.45Å; D221-Q224 PolarHBondContact O-N 3.17Å; D221-Q224 VanDerWaalsContact O-N 3.16Å; K222-Q224 VanDerWaalsContact C-N 3.26Å; K222-Q224 PolarHBondContact O-N 3.38Å; Q224-C226 PolarHBondContact O-N 2.96Å; Q224-C226 PolarHBondContact O-SG 3.43Å
225K65.6Low84.4Confident214 Ų21462.1 Ų62.193%0.9333%0.326SS*.  trans-68.9110.8162-76.9-171.8176.3-1790108.6D227K225-D227 PolarHBondContact O-N 2.97Å
226C64.7Low84.6Confident45 Ų4561.5 Ų61.530%0.30432%0.321SS..  trans-83.8113.7-161.2-66.40000114.2W220 Q224 W228W220-C226 PolarHBondContact NE1-SG 3.16Å; Q224-C226 PolarHBondContact O-N 2.96Å; Q224-C226 PolarHBondContact O-SG 3.43Å; C226-W228 HydrophobicContact CB-CD2 3.82Å; C226-W228 HydrophobicContact CB-CE3 3.92Å; C226-W228 HydrophobicContact CB-CH2 3.67Å; C226-W228 HydrophobicContact CB-CZ2 3.55Å; C226-W228 HydrophobicContact CB-CZ3 3.85Å; C226-W228 VanDerWaalsContact SG-CH2 3.55Å
227D80.6Confident84.7Confident62 Ų6255.5 Ų55.533%0.33229%0.293SS..  trans-95.793.6156.9178.8-2.7000108.8K225 T229 K230K225-D227 PolarHBondContact O-N 2.97Å; D227-T229 PolarHBondContact O-N 3.35Å; D227-T229 WeakPolarHBondContact OD1-CB 3.28Å; D227-T229 WeakPolarHBondContact OD1-CG2 3.22Å; D227-T229 PolarHBondContact OD1-N 3.01Å; D227-T229 VanDerWaalsContact OD1-N 3.09Å; D227-T229 PolarHBondContact OD1-OG1 3.38Å; D227-K230 HydrophobicContact CB-CD 4.35Å; D227-K230 PolarHBondContact O-N 3.19Å; D227-K230 VanDerWaalsContact OD2-CE 3.31Å; D227-K230 WeakPolarHBondContact OD2-CE 3.4Å; D227-K230 IonicContact OD2-NZ 2.75Å; D227-K230 PolarHBondContact OD2-NZ 3.15Å
228W82.7Confident84.6Confident42 Ų4254.5 Ų54.516%0.15929%0.286CS..G310 helixtrans-63.3-13.5-176.9-46.6113000113.7W220 C226 K230 L231 L256 P283W220-W228 AromaticContact CD1-CZ3 3.65Å; W220-W228 HydrophobicContact CG-CZ3 4.13Å; W220-W228 AromaticContact NE1-CH2 3.8Å; W220-W228 AromaticContact NE1-CZ3 3.87Å; C226-W228 HydrophobicContact CB-CD2 3.82Å; C226-W228 HydrophobicContact CB-CE3 3.92Å; C226-W228 HydrophobicContact CB-CH2 3.67Å; C226-W228 HydrophobicContact CB-CZ2 3.55Å; C226-W228 HydrophobicContact CB-CZ3 3.85Å; C226-W228 VanDerWaalsContact SG-CH2 3.55Å; W228-K230 PolarHBondContact O-N 2.87Å; W228-L231 HydrophobicContact CE3-CD1 3.95Å; W228-L231 HydrophobicContact CZ3-CD1 4.3Å; W228-L231 PolarHBondContact O-N 3.24Å; W228-L256 HydrophobicContact CH2-CD1 4.32Å; W228-L256 HydrophobicContact CZ3-CD1 4.18Å; W228-P283 VanDerWaalsContact CD2-CD 3.48Å; W228-P283 HydrophobicContact CD2-CG 4.06Å; W228-P283 HydrophobicContact CE3-CB 4.19Å; W228-P283 HydrophobicContact CE3-CG 3.57Å; W228-P283 HydrophobicContact CH2-CG 4.49Å; W228-P283 HydrophobicContact CZ3-CG 3.82Å
229T78.4Confident84.4Confident90 Ų9058.9 Ų58.955%0.55230%0.302SS*.G310 helixtrans-71-22.2177.673.20000112.8D227D227-T229 PolarHBondContact O-N 3.35Å; D227-T229 WeakPolarHBondContact OD1-CB 3.28Å; D227-T229 WeakPolarHBondContact OD1-CG2 3.22Å; D227-T229 PolarHBondContact OD1-N 3.01Å; D227-T229 VanDerWaalsContact OD1-N 3.09Å; D227-T229 PolarHBondContact OD1-OG1 3.38Å
230K81.1Confident84.4Confident167 Ų16758.8 Ų58.873%0.72629%0.292SS*.G310 helixtrans-91-13.4179.6-65.8176.7176.8121.20113.9D227 W228D227-K230 HydrophobicContact CB-CD 4.35Å; D227-K230 PolarHBondContact O-N 3.19Å; D227-K230 VanDerWaalsContact OD2-CE 3.31Å; D227-K230 WeakPolarHBondContact OD2-CE 3.4Å; D227-K230 IonicContact OD2-NZ 2.75Å; D227-K230 PolarHBondContact OD2-NZ 3.15Å; W228-K230 PolarHBondContact O-N 2.87Å
231L85.6Confident84.6Confident30 Ų3063.7 Ų63.716%0.15731%0.31CS..SBendtrans-97.5176.3-173.7-67.2178.1000112.4G219 W220 W228 N299G219-L231 WeakPolarHBondContact O-CD2 3.26Å; W220-L231 HydrophobicContact CB-CD1 4.28Å; W228-L231 HydrophobicContact CE3-CD1 3.95Å; W228-L231 HydrophobicContact CZ3-CD1 4.3Å; W228-L231 PolarHBondContact O-N 3.24Å; L231-N299 PolarHBondContact O-ND2 2.89Å
232G90.8Very high85.1Confident7 Ų764.6 Ų64.67%0.07232%0.319CS..  trans-64.8160.6163.300000112.7I218I218-G232 WeakPolarHBondContact CB-O 3.49Å; I218-G232 PolarHBondContact O-N 2.9Å
233C94.9Very high85.8Confident4 Ų460.7 Ų60.73%0.02731%0.305CS..EExtended strand (participates in β ladder)trans-118.3162.5164.562.90000110.7W277 P283 K297 N299 V300 R301C233-W277 HydrophobicContact CB-CZ2 3.99Å; C233-P283 CarbonylContact C-O 3.59Å; C233-P283 VanDerWaalsContact CA-O 3.24Å; C233-P283 WeakPolarHBondContact CA-O 3.39Å; C233-P283 VanDerWaalsContact CB-O 3.28Å; C233-P283 WeakPolarHBondContact CB-O 3.36Å; C233-K297 VanDerWaalsContact SG-CD 3.55Å; C233-K297 WeakPolarHBondContact SG-CE 3.4Å; C233-N299 PolarHBondContact N-O 2.71Å; C233-N299 VanDerWaalsContact SG-C 3.56Å; C233-N299 PolarHBondContact SG-O 3Å; C233-V300 CarbonylContact O-C 3.51Å; C233-V300 WeakPolarHBondContact O-CA 3.34Å; C233-R301 PolarHBondContact O-N 3.42Å
234G95.7Very high86.9Confident0 Ų056.2 Ų56.20%027%0.273CS..EExtended strand (participates in β ladder)trans-138.4152.4-178.600000112.8W277 P283 I284 V285 F302G234-W277 PolarHBondContact O-NE1 3.43Å; G234-P283 PolarHBondContact N-O 3.33Å; G234-I284 WeakPolarHBondContact O-CA 3.41Å; G234-V285 PolarHBondContact O-N 3.09Å; G234-F302 WeakPolarHBondContact CA-O 3.35Å
235I95.7Very high88.4Confident1 Ų155 Ų551%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-119127.5173.8-56.3172.6000107.9Y237 W277 V285 F291 V300 F302 V303 L304 R321I235-Y237 HydrophobicContact CG2-CD2 4.09Å; I235-Y237 HydrophobicContact CG2-CE1 4.21Å; I235-Y237 HydrophobicContact CG2-CE2 3.65Å; I235-W277 HydrophobicContact CD1-CH2 4Å; I235-W277 HydrophobicContact CD1-CZ2 4.22Å; I235-W277 HydrophobicContact CG1-CH2 3.94Å; I235-W277 HydrophobicContact CG1-CZ2 3.63Å; I235-V285 HydrophobicContact CB-CG1 4.44Å; I235-V285 HydrophobicContact CG1-CG1 4.08Å; I235-V285 HydrophobicContact CG2-CG1 4.33Å; I235-F291 HydrophobicContact CD1-CE1 4.26Å; I235-F291 HydrophobicContact CG1-CE1 4.38Å; I235-F291 HydrophobicContact CG2-CD1 4.36Å; I235-V300 HydrophobicContact CD1-CG1 4.38Å; I235-V300 HydrophobicContact CD1-CG2 4.42Å; I235-V300 HydrophobicContact CG1-CG1 4.36Å; I235-F302 PolarHBondContact N-O 3.07Å; I235-F302 VanDerWaalsContact N-O 3.09Å; I235-V303 HydrophobicContact CB-CG2 4.41Å; I235-V303 CarbonylContact O-C 3.57Å; I235-V303 WeakPolarHBondContact O-CA 3.16Å; I235-L304 PolarHBondContact O-N 2.96Å; I235-R321 HydrophobicContact CD1-CB 4.23Å
236V96.7Very high89.8Confident0 Ų046.2 Ų46.20%024%0.238CC..EExtended strand (participates in β ladder)trans-106.3132.2169.5179.50000108.7L247 I284 V285 V286 A287 F302 L304 W306V236-L247 HydrophobicContact CG1-CD2 3.68Å; V236-I284 HydrophobicContact CG2-CG2 4.09Å; V236-V285 PolarHBondContact N-O 3.03Å; V236-V286 HydrophobicContact CB-CB 4.3Å; V236-V286 HydrophobicContact CB-CG1 3.99Å; V236-V286 HydrophobicContact CB-CG2 4.19Å; V236-V286 HydrophobicContact CG1-CG1 3.9Å; V236-V286 HydrophobicContact CG2-CG2 4.37Å; V236-A287 PolarHBondContact O-N 2.9Å; V236-F302 HydrophobicContact CG2-CE2 3.94Å; V236-F302 HydrophobicContact CG2-CZ 4.45Å; V236-L304 CarbonylContact C-O 3.58Å; V236-L304 VanDerWaalsContact CA-O 3.26Å; V236-L304 WeakPolarHBondContact CA-O 3.42Å; V236-L304 HydrophobicContact CG1-CD2 4.14Å; V236-L304 HydrophobicContact CG2-CB 4.21Å; V236-L304 HydrophobicContact CG2-CD1 4.32Å; V236-W306 HydrophobicContact CG1-CB 4.2Å
237Y95.3Very high91.3Very high3 Ų344.2 Ų44.21%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-108.1122.8176.3-77.8-65000111.8I235 A287 G292 V303 L304 H305 W306 E318 R321I235-Y237 HydrophobicContact CG2-CD2 4.09Å; I235-Y237 HydrophobicContact CG2-CE1 4.21Å; I235-Y237 HydrophobicContact CG2-CE2 3.65Å; Y237-A287 WeakPolarHBondContact CA-O 3.4Å; Y237-A287 HydrophobicContact CE1-CB 4.48Å; Y237-G292 VanDerWaalsContact OH-CA 3.24Å; Y237-G292 WeakPolarHBondContact OH-CA 3.46Å; Y237-V303 HydrophobicContact CD2-CG1 3.72Å; Y237-V303 HydrophobicContact CE2-CG1 3.82Å; Y237-L304 PolarHBondContact N-O 3.04Å; Y237-H305 AromaticContact CD2-CE1 3.68Å; Y237-H305 AromaticContact CD2-NE2 3.74Å; Y237-W306 WeakPolarHBondContact O-CB 3.28Å; Y237-W306 PolarHBondContact O-N 2.78Å; Y237-E318 HydrophobicContact CD2-CB 4.17Å; Y237-E318 HydrophobicContact CE2-CB 3.82Å; Y237-E318 HydrophobicContact CE2-CG 4.27Å; Y237-R321 VanDerWaalsContact OH-CD 3.24Å; Y237-R321 WeakPolarHBondContact OH-CD 3.42Å
238C93.7Very high92.1Very high1 Ų141.6 Ų41.61%0.00721%0.211CC..  trans-123.3151.8173.5-42.40000111.6D243 A287 T288 W306 T307C238-D243 HydrophobicContact CB-CB 3.6Å; C238-A287 PolarHBondContact N-O 3.47Å; C238-T288 WeakPolarHBondContact O-CA 3.29Å; C238-W306 HydrophobicContact CB-CB 4.5Å; C238-T307 WeakPolarHBondContact CA-OG1 3.43Å; C238-T307 HydrophobicContact CB-CG2 4.49Å
239R89.3Confident92.8Very high97 Ų9746.2 Ų46.237%0.36623%0.234SC..SBendtrans-80.1-31.8-179.9-178172.847.760.319.6113.6T307 E339R239-T307 HydrophobicContact CB-CG2 3.81Å; R239-T307 PolarHBondContact N-OG1 3.39Å; R239-E339 IonicContact CZ-OE1 3.83Å; R239-E339 IonicContact NE-OE1 3.2Å; R239-E339 PolarHBondContact NE-OE1 2.96Å; R239-E339 VanDerWaalsContact NH2-CG 3.35Å; R239-E339 IonicContact NH2-OE1 3.53Å; R239-E339 PolarHBondContact NH2-OE1 3.23Å
240T90.5Very high93.7Very high46 Ų4645.5 Ų45.528%0.28222%0.223SC..SBendtrans-114.5159.6179.887.20000112.8D243 C244T240-D243 VanDerWaalsContact CB-OD2 3.28Å; T240-D243 WeakPolarHBondContact CB-OD2 3.13Å; T240-D243 VanDerWaalsContact CG2-OD2 3.3Å; T240-D243 WeakPolarHBondContact CG2-OD2 3.44Å; T240-D243 PolarHBondContact N-OD2 3.31Å; T240-D243 PolarHBondContact O-N 3.34Å; T240-D243 PolarHBondContact OG1-N 3.01Å; T240-D243 PolarHBondContact OG1-OD2 3.24Å; T240-C244 PolarHBondContact O-N 3.23Å; T240-C244 PolarHBondContact O-SG 3.34Å; T240-C244 VanDerWaalsContact O-SG 3.41Å
241R93.5Very high94.4Very high124 Ų12437.5 Ų37.547%0.46819%0.189SC..Hα-helixtrans-64.2-44.2178-57.2-179.9-179.2-176.7-3.7111.3D243 C244 E245 H262 A263 G264R241-D243 VanDerWaalsContact C-N 3.3Å; R241-D243 PolarHBondContact O-N 2.95Å; R241-C244 WeakPolarHBondContact O-CA 3.43Å; R241-C244 VanDerWaalsContact O-CB 3.3Å; R241-C244 WeakPolarHBondContact O-CB 3.42Å; R241-C244 PolarHBondContact O-N 3.06Å; R241-E245 WeakPolarHBondContact O-CG 3.32Å; R241-E245 PolarHBondContact O-N 2.9Å; R241-H262 HydrophobicContact CG-CB 4.03Å; R241-A263 PolarHBondContact NH2-O 3.36Å; R241-G264 VanDerWaalsContact NH1-CA 3.29Å
242T94.5Very high94.8Very high102 Ų10238.5 Ų38.563%0.62620%0.196SC*.Hα-helixtrans-63.5-33.9179.1-49.60000112.5C244 E245 G246T242-C244 VanDerWaalsContact C-N 3.34Å; T242-E245 WeakPolarHBondContact CA-OE2 3.37Å; T242-G246 PolarHBondContact O-N 3.4Å
243D94.1Very high95Very high47 Ų4742.2 Ų42.225%0.25122%0.221SC..Hα-helixtrans-67.7-34171.3-60.6-51.1000111.9C238 T240 R241 L247C238-D243 HydrophobicContact CB-CB 3.6Å; T240-D243 VanDerWaalsContact CB-OD2 3.28Å; T240-D243 WeakPolarHBondContact CB-OD2 3.13Å; T240-D243 VanDerWaalsContact CG2-OD2 3.3Å; T240-D243 WeakPolarHBondContact CG2-OD2 3.44Å; T240-D243 PolarHBondContact N-OD2 3.31Å; T240-D243 PolarHBondContact O-N 3.34Å; T240-D243 PolarHBondContact OG1-N 3.01Å; T240-D243 PolarHBondContact OG1-OD2 3.24Å; R241-D243 VanDerWaalsContact C-N 3.3Å; R241-D243 PolarHBondContact O-N 2.95Å; D243-L247 WeakPolarHBondContact O-CB 3.34Å; D243-L247 PolarHBondContact O-N 3.11Å
244C95.9Very high94.8Very high0 Ų044.3 Ų44.30%023%0.231CC..Hα-helixtrans-70.4-48.4174.5-62.80000112.2T240 R241 T242 A248 A260 V286 T288T240-C244 PolarHBondContact O-N 3.23Å; T240-C244 PolarHBondContact O-SG 3.34Å; T240-C244 VanDerWaalsContact O-SG 3.41Å; R241-C244 WeakPolarHBondContact O-CA 3.43Å; R241-C244 VanDerWaalsContact O-CB 3.3Å; R241-C244 WeakPolarHBondContact O-CB 3.42Å; R241-C244 PolarHBondContact O-N 3.06Å; T242-C244 VanDerWaalsContact C-N 3.34Å; C244-A248 VanDerWaalsContact O-CB 3.24Å; C244-A248 WeakPolarHBondContact O-CB 3.47Å; C244-A248 PolarHBondContact O-N 3.47Å; C244-A260 HydrophobicContact CB-CB 4.12Å; C244-V286 HydrophobicContact CB-CG1 4.24Å; C244-V286 WeakPolarHBondContact CB-O 3.27Å; C244-T288 PolarHBondContact SG-N 2.87Å; C244-T288 VanDerWaalsContact SG-N 3.4Å
245E96.7Very high94.6Very high73 Ų7346.5 Ų46.534%0.34125%0.254SS..Hα-helixtrans-58.6-60.2179.5-68.5157.9167.600109.8R241 T242 L247 A248 E249 A260 H262R241-E245 WeakPolarHBondContact O-CG 3.32Å; R241-E245 PolarHBondContact O-N 2.9Å; T242-E245 WeakPolarHBondContact CA-OE2 3.37Å; E245-L247 PolarHBondContact O-N 3.16Å; E245-A248 PolarHBondContact O-N 3.11Å; E245-E249 WeakPolarHBondContact O-CB 3.48Å; E245-E249 WeakPolarHBondContact O-CG 3.3Å; E245-E249 PolarHBondContact O-N 2.74Å; E245-A260 HydrophobicContact CG-CB 4.48Å; E245-H262 IonicContact OE1-CE1 2.72Å; E245-H262 PolarHBondContact OE1-CE1 2.91Å; E245-H262 IonicContact OE1-ND1 3.56Å; E245-H262 IonicContact OE1-NE2 3.54Å
246G96.3Very high94.4Very high30 Ų3046.4 Ų46.431%0.30925%0.254SS..Hα-helixtrans-64.9-32.3-175.700000114.6T242 K250T242-G246 PolarHBondContact O-N 3.4Å; G246-K250 WeakPolarHBondContact O-CB 3.33Å; G246-K250 PolarHBondContact O-N 2.77Å
247L96.3Very high94.2Very high3 Ų347.6 Ų47.62%0.01626%0.262CS..Hα-helixtrans-77.3-36.1176.5-175.957.6000112.2Y207 V210 V236 D243 E245 K250 L251 V286 W306Y207-L247 HydrophobicContact CD1-CD1 3.82Å; Y207-L247 HydrophobicContact CE1-CD1 3.8Å; V210-L247 HydrophobicContact CG1-CD1 4.45Å; V236-L247 HydrophobicContact CG1-CD2 3.68Å; D243-L247 WeakPolarHBondContact O-CB 3.34Å; D243-L247 PolarHBondContact O-N 3.11Å; E245-L247 PolarHBondContact O-N 3.16Å; L247-K250 PolarHBondContact O-N 2.95Å; L247-L251 HydrophobicContact CD1-CD1 4.23Å; L247-L251 HydrophobicContact CD1-CG 4.19Å; L247-L251 HydrophobicContact CG-CD1 4.25Å; L247-L251 WeakPolarHBondContact O-CB 3.5Å; L247-L251 WeakPolarHBondContact O-CG 3.22Å; L247-L251 PolarHBondContact O-N 3.47Å; L247-V286 HydrophobicContact CB-CG1 4.16Å; L247-V286 HydrophobicContact CD2-CG1 4.22Å; L247-V286 HydrophobicContact CG-CG1 4.32Å; L247-W306 HydrophobicContact CD2-CB 4.11Å; L247-W306 HydrophobicContact CD2-CD2 3.77Å; L247-W306 HydrophobicContact CD2-CE3 4.06Å; L247-W306 HydrophobicContact CD2-CG 3.79Å
248A97.3Very high94.3Very high6 Ų647.5 Ų47.55%0.0526%0.262CS..Hα-helixtrans-66.6-43173.300000112.1C244 E245 T252 A260 V286C244-A248 VanDerWaalsContact O-CB 3.24Å; C244-A248 WeakPolarHBondContact O-CB 3.47Å; C244-A248 PolarHBondContact O-N 3.47Å; E245-A248 PolarHBondContact O-N 3.11Å; A248-T252 VanDerWaalsContact O-CB 3.32Å; A248-T252 WeakPolarHBondContact O-CB 3.37Å; A248-T252 PolarHBondContact O-N 3.34Å; A248-T252 PolarHBondContact O-OG1 2.92Å; A248-A260 HydrophobicContact CB-CB 4.14Å; A248-V286 HydrophobicContact CB-CB 4.08Å; A248-V286 HydrophobicContact CB-CG2 3.83Å
249E97Very high94.4Very high139 Ų13952.6 Ų52.665%0.6528%0.281SS*.Hα-helixtrans-58.4-49.8171.3-74.2173.7-168.600110.8E245 L251 T252 S253E245-E249 WeakPolarHBondContact O-CB 3.48Å; E245-E249 WeakPolarHBondContact O-CG 3.3Å; E245-E249 PolarHBondContact O-N 2.74Å; E249-L251 PolarHBondContact O-N 3.28Å; E249-T252 PolarHBondContact O-N 3.05Å; E249-S253 WeakPolarHBondContact O-CB 3.31Å; E249-S253 PolarHBondContact O-N 3.14Å
250K96.2Very high94.8Very high75 Ų7548.8 Ų48.833%0.32627%0.27SS..Hα-helixtrans-64.4-43.5-176.5-174.151.9174.6167.20112.6Y207 G246 L247 S253 L254Y207-K250 HydrophobicContact CD1-CB 4.12Å; Y207-K250 HydrophobicContact CD1-CG 3.45Å; Y207-K250 VanDerWaalsContact CD1-CG 3.45Å; Y207-K250 HydrophobicContact CD2-CG 4.21Å; Y207-K250 HydrophobicContact CE1-CB 4.21Å; Y207-K250 HydrophobicContact CE1-CG 3.89Å; Y207-K250 HydrophobicContact CG-CD 4.5Å; Y207-K250 HydrophobicContact CG-CG 3.62Å; G246-K250 WeakPolarHBondContact O-CB 3.33Å; G246-K250 PolarHBondContact O-N 2.77Å; L247-K250 PolarHBondContact O-N 2.95Å; K250-S253 PolarHBondContact O-N 2.66Å; K250-S253 PolarHBondContact O-OG 2.71Å; K250-L254 HydrophobicContact CD-CD1 4.24Å; K250-L254 HydrophobicContact CG-CD1 4.29Å; K250-L254 WeakPolarHBondContact O-CG 3.24Å; K250-L254 PolarHBondContact O-N 2.79Å
251L95.7Very high94.9Very high0 Ų047.5 Ų47.50%026%0.26CS..Hα-helixtrans-65-41.8175.6-70.5172.3000112.2V210 L211 L247 E249 S253 L254 G255 L256 S258V210-L251 HydrophobicContact CG1-CD1 4.26Å; V210-L251 HydrophobicContact CG1-CD2 3.93Å; L211-L251 HydrophobicContact CB-CD2 4.36Å; L211-L251 HydrophobicContact CD1-CD2 4.14Å; L247-L251 HydrophobicContact CD1-CD1 4.23Å; L247-L251 HydrophobicContact CD1-CG 4.19Å; L247-L251 HydrophobicContact CG-CD1 4.25Å; L247-L251 WeakPolarHBondContact O-CB 3.5Å; L247-L251 WeakPolarHBondContact O-CG 3.22Å; L247-L251 PolarHBondContact O-N 3.47Å; E249-L251 PolarHBondContact O-N 3.28Å; L251-S253 VanDerWaalsContact C-N 3.34Å; L251-S253 PolarHBondContact O-N 3.47Å; L251-L254 PolarHBondContact O-N 3.31Å; L251-L254 VanDerWaalsContact O-N 3.07Å; L251-G255 PolarHBondContact O-N 3.4Å; L251-L256 CarbonylContact C-O 3.54Å; L251-L256 VanDerWaalsContact C-O 3.25Å; L251-L256 PolarHBondContact O-N 2.71Å; L251-S258 WeakPolarHBondContact CB-OG 3.42Å
252T95.4Very high94.9Very high51 Ų5141.7 Ų41.731%0.31324%0.238SC..Hα-helixtrans-62.3-41.6175.8-55.60000111.2A248 E249 L254 G255 L256 S258A248-T252 VanDerWaalsContact O-CB 3.32Å; A248-T252 WeakPolarHBondContact O-CB 3.37Å; A248-T252 PolarHBondContact O-N 3.34Å; A248-T252 PolarHBondContact O-OG1 2.92Å; E249-T252 PolarHBondContact O-N 3.05Å; T252-L254 PolarHBondContact O-N 3.34Å; T252-G255 PolarHBondContact O-N 3.44Å; T252-L256 PolarHBondContact N-O 3.36Å; T252-S258 PolarHBondContact OG1-N 3.38Å; T252-S258 VanDerWaalsContact OG1-N 3.09Å; T252-S258 PolarHBondContact OG1-O 2.96Å
253S94.1Very high94.5Very high84 Ų8439.7 Ų39.759%0.58723%0.232SC*.Hα-helixtrans-65.3-15.8175.7770000114.4E249 K250 L251E249-S253 WeakPolarHBondContact O-CB 3.31Å; E249-S253 PolarHBondContact O-N 3.14Å; K250-S253 PolarHBondContact O-N 2.66Å; K250-S253 PolarHBondContact O-OG 2.71Å; L251-S253 VanDerWaalsContact C-N 3.34Å; L251-S253 PolarHBondContact O-N 3.47Å
254L91.9Very high94.4Very high48 Ų4839.4 Ų39.425%0.25124%0.241SC..THydrogen-bonded Turntrans-98.68.1176.4-68.1168.7000112.9L211 K250 L251 T252L211-L254 HydrophobicContact CB-CD1 4.48Å; L211-L254 HydrophobicContact CD1-CB 3.8Å; L211-L254 HydrophobicContact CD2-CB 3.87Å; L211-L254 HydrophobicContact CD2-CD1 4.27Å; L211-L254 HydrophobicContact CD2-CG 4.5Å; L211-L254 HydrophobicContact CG-CB 4.44Å; K250-L254 HydrophobicContact CD-CD1 4.24Å; K250-L254 HydrophobicContact CG-CD1 4.29Å; K250-L254 WeakPolarHBondContact O-CG 3.24Å; K250-L254 PolarHBondContact O-N 2.79Å; L251-L254 PolarHBondContact O-N 3.31Å; L251-L254 VanDerWaalsContact O-N 3.07Å; T252-L254 PolarHBondContact O-N 3.34Å
255G90Very high94.1Very high46 Ų4641.3 Ų41.347%0.47425%0.25SS..THydrogen-bonded Turntrans97.2-8.4178.200000115.1L251 T252L251-G255 PolarHBondContact O-N 3.4Å; T252-G255 PolarHBondContact O-N 3.44Å
256L91.5Very high93.9Very high0 Ų040.4 Ų40.40%025%0.253CS..  trans-102.293.4-172.5-175.152.2000111.3L211 A214 I218 W220 W228 L251 T252 S258 P283 I284L211-L256 HydrophobicContact CD1-CB 3.65Å; L211-L256 HydrophobicContact CD1-CD2 3.89Å; L211-L256 HydrophobicContact CD1-CG 4.44Å; A214-L256 HydrophobicContact CB-CD2 3.69Å; I218-L256 HydrophobicContact CD1-CD1 3.83Å; W220-L256 HydrophobicContact CD2-CD1 4.01Å; W220-L256 HydrophobicContact CE3-CB 4.39Å; W220-L256 HydrophobicContact CE3-CD1 3.83Å; W220-L256 HydrophobicContact CE3-CD2 4.22Å; W220-L256 HydrophobicContact CE3-CG 4.36Å; W220-L256 HydrophobicContact CG-CD1 4.47Å; W220-L256 HydrophobicContact CH2-CB 3.98Å; W220-L256 HydrophobicContact CZ3-CB 3.84Å; W220-L256 HydrophobicContact CZ3-CD1 4.16Å; W220-L256 HydrophobicContact CZ3-CD2 4.21Å; W220-L256 HydrophobicContact CZ3-CG 4.28Å; W228-L256 HydrophobicContact CH2-CD1 4.32Å; W228-L256 HydrophobicContact CZ3-CD1 4.18Å; L251-L256 CarbonylContact C-O 3.54Å; L251-L256 VanDerWaalsContact C-O 3.25Å; L251-L256 PolarHBondContact O-N 2.71Å; T252-L256 PolarHBondContact N-O 3.36Å; L256-S258 PolarHBondContact O-N 3.36Å; L256-S258 PolarHBondContact O-OG 3.41Å; L256-P283 HydrophobicContact CD1-CG 3.98Å; L256-I284 HydrophobicContact CD1-CD1 4.19Å; L256-I284 HydrophobicContact CD2-CD1 3.59Å; L256-I284 HydrophobicContact CG-CD1 3.71Å
257S94.1Very high93.4Very high25 Ų2544.4 Ų44.418%0.17526%0.261CS..  trans-53.7119.2-170.8-165.80000112.7Y282 P283S257-Y282 WeakPolarHBondContact OG-CB 3.44Å; S257-P283 WeakPolarHBondContact O-CD 3.18Å
258S96Very high93.1Very high1 Ų147.3 Ų47.31%0.00728%0.282CS..EExtended strand (participates in β ladder)trans-137.5152.6-173.8-60.10000110.9L251 T252 L256 I284L251-S258 WeakPolarHBondContact CB-OG 3.42Å; T252-S258 PolarHBondContact OG1-N 3.38Å; T252-S258 VanDerWaalsContact OG1-N 3.09Å; T252-S258 PolarHBondContact OG1-O 2.96Å; L256-S258 PolarHBondContact O-N 3.36Å; L256-S258 PolarHBondContact O-OG 3.41Å; S258-I284 WeakPolarHBondContact CA-O 3.4Å
259R96.6Very high92.8Very high108 Ų10851.5 Ų51.541%0.40830%0.301SS..EExtended strand (participates in β ladder)trans-135.2144.2171.3-69.3-63.8-178.9-88.93.9112.5V273 Y282 I284 V285 V286R259-V273 HydrophobicContact CB-CG1 4.12Å; R259-V273 HydrophobicContact CB-CG2 4.22Å; R259-Y282 HydrophobicContact CB-CD2 4.27Å; R259-Y282 HydrophobicContact CB-CE2 3.65Å; R259-Y282 HydrophobicContact CG-CD1 4.19Å; R259-Y282 HydrophobicContact CG-CD2 4.07Å; R259-Y282 HydrophobicContact CG-CE1 3.79Å; R259-Y282 HydrophobicContact CG-CE2 3.63Å; R259-Y282 HydrophobicContact CG-CG 4.33Å; R259-Y282 VanDerWaalsContact CG-CZ 3.49Å; R259-I284 PolarHBondContact N-O 3.24Å; R259-I284 VanDerWaalsContact N-O 3.16Å; R259-V285 WeakPolarHBondContact O-CA 3.48Å; R259-V286 PolarHBondContact O-N 3.3Å
260A96.6Very high92.4Very high17 Ų1748.5 Ų48.514%0.1428%0.283CS..EExtended strand (participates in β ladder)trans-78.6146.8176.800000111.6C244 E245 A248 L265 V286C244-A260 HydrophobicContact CB-CB 4.12Å; E245-A260 HydrophobicContact CG-CB 4.48Å; A248-A260 HydrophobicContact CB-CB 4.14Å; A260-L265 WeakPolarHBondContact O-CD1 3.3Å; A260-V286 CarbonylContact C-O 3.56Å; A260-V286 VanDerWaalsContact CA-O 3.24Å; A260-V286 WeakPolarHBondContact CA-O 3.49Å
261Y93.6Very high91.9Very high19 Ų1948.8 Ų48.88%0.07529%0.286CS..EExtended strand (participates in β ladder)trans-136.5113.6172.6-173.5-76.4000111.5R270 V273 Q274 V286 A287 T288 F291Y261-R270 HydrophobicContact CD2-CB 4.31Å; Y261-R270 HydrophobicContact CD2-CG 4.17Å; Y261-R270 HydrophobicContact CE1-CG 4.47Å; Y261-R270 HydrophobicContact CE2-CB 3.64Å; Y261-R270 HydrophobicContact CE2-CG 3.84Å; Y261-R270 WeakPolarHBondContact CE2-O 3.29Å; Y261-V273 HydrophobicContact CD2-CB 4.35Å; Y261-V273 HydrophobicContact CD2-CG1 4Å; Y261-Q274 HydrophobicContact CE2-CB 4.22Å; Y261-V286 PolarHBondContact N-O 3.23Å; Y261-A287 CarbonylContact O-C 3.57Å; Y261-A287 VanDerWaalsContact O-CA 3.28Å; Y261-A287 WeakPolarHBondContact O-CA 3.32Å; Y261-T288 PolarHBondContact O-N 3.09Å; Y261-T288 PolarHBondContact O-OG1 3.5Å; Y261-F291 HydrophobicContact CD1-CB 3.69Å; Y261-F291 AromaticContact CD1-CD2 3.75Å; Y261-F291 HydrophobicContact CD1-CD2 3.75Å; Y261-F291 HydrophobicContact CD1-CG 4.18Å; Y261-F291 AromaticContact CD2-CD2 3.69Å; Y261-F291 HydrophobicContact CD2-CD2 3.69Å; Y261-F291 HydrophobicContact CD2-CE2 4.09Å; Y261-F291 HydrophobicContact CE1-CB 3.98Å; Y261-F291 AromaticContact CE1-CD2 3.95Å; Y261-F291 HydrophobicContact CE1-CD2 3.95Å; Y261-F291 HydrophobicContact CE1-CG 4.49Å; Y261-F291 AromaticContact CE2-CD2 3.84Å; Y261-F291 HydrophobicContact CE2-CD2 3.84Å; Y261-F291 HydrophobicContact CE2-CE2 4.3Å; Y261-F291 HydrophobicContact CG-CB 4.3Å; Y261-F291 AromaticContact CG-CD2 3.63Å; Y261-F291 HydrophobicContact CG-CD2 3.63Å; Y261-F291 HydrophobicContact CG-CE2 4.37Å; Y261-F291 HydrophobicContact CG-CG 4.34Å; Y261-F291 AromaticContact CZ-CD2 3.99Å
262H92.7Very high91.6Very high1 Ų152.7 Ų52.71%0.00531%0.307CS..  trans-158.2158.51784492.3000111.6R241 E245 G264 L265 R270 T288R241-H262 HydrophobicContact CG-CB 4.03Å; E245-H262 IonicContact OE1-CE1 2.72Å; E245-H262 PolarHBondContact OE1-CE1 2.91Å; E245-H262 IonicContact OE1-ND1 3.56Å; E245-H262 IonicContact OE1-NE2 3.54Å; H262-G264 PolarHBondContact O-N 3.26Å; H262-L265 PolarHBondContact O-N 3.02Å; H262-R270 WeakPolarHBondContact O-CD 3.22Å; H262-T288 WeakPolarHBondContact CA-OG1 3.24Å; H262-T288 HydrophobicContact CB-CG2 3.92Å; H262-T288 WeakPolarHBondContact CB-OG1 3.24Å
263A87.6Confident91.5Very high60 Ų6051 Ų5150%0.49630%0.297SS..THydrogen-bonded Turntrans-6720.7175.300000115R241R241-A263 PolarHBondContact NH2-O 3.36Å
264G90.3Very high91.2Very high42 Ų4249.8 Ų49.843%0.43328%0.281SS..THydrogen-bonded Turntrans-96.1-28.3163.500000112.8R241 H262R241-G264 VanDerWaalsContact NH1-CA 3.29Å; H262-G264 PolarHBondContact O-N 3.26Å
265L91.2Very high90.9Very high39 Ų3952.9 Ų52.920%0.20430%0.296CS..SBendtrans-69.8150.6171.7-59.8178.2000110.5A260 H262 E269 R270A260-L265 WeakPolarHBondContact O-CD1 3.3Å; H262-L265 PolarHBondContact O-N 3.02Å; L265-E269 HydrophobicContact CB-CB 4.07Å; L265-R270 HydrophobicContact CB-CG 3.82Å; L265-R270 HydrophobicContact CD1-CG 4.36Å; L265-R270 PolarHBondContact O-NE 2.94Å; L265-R270 VanDerWaalsContact O-NE 3.17Å
266S92Very high91Very high55 Ų5550.8 Ų50.839%0.38528%0.275SS..  trans-61.2177.8175.773.40000112.3E269 R270S266-E269 WeakPolarHBondContact CA-OE2 3.35Å; S266-E269 WeakPolarHBondContact CB-OE2 3.47Å; S266-E269 PolarHBondContact N-OE2 3.42Å; S266-E269 WeakPolarHBondContact OG-CG 3.46Å; S266-E269 PolarHBondContact OG-N 3.16Å; S266-E269 PolarHBondContact OG-OE2 2.86Å; S266-R270 PolarHBondContact O-N 3.37Å; S266-R270 PolarHBondContact O-NE 3.34Å; S266-R270 VanDerWaalsContact O-NE 3.13Å
267K84.8Confident91Very high113 Ų11350.8 Ų50.849%0.49128%0.275SS..Hα-helixtrans-66.8-44.2175.2-177.9179.7171.7-69.70111.3E271K267-E271 WeakPolarHBondContact CE-OE1 3.25Å; K267-E271 IonicContact NZ-OE1 3.47Å; K267-E271 PolarHBondContact NZ-OE1 3.08Å; K267-E271 IonicContact NZ-OE2 2.72Å; K267-E271 PolarHBondContact NZ-OE2 3.18Å; K267-E271 WeakPolarHBondContact O-CG 3.4Å; K267-E271 PolarHBondContact O-N 3.34Å; K267-E271 VanDerWaalsContact O-N 3.13Å
268S89.7Confident90.6Very high65 Ų6552.2 Ų52.246%0.45528%0.284SS..Hα-helixtrans-61.6-58.6179.4-1600000109.9R270 E271 D272S268-R270 CarbonylContact O-C 3.25Å; S268-R270 PolarHBondContact O-N 3.36Å; S268-E271 CarbonylContact O-C 3.55Å; S268-E271 WeakPolarHBondContact O-CA 3.25Å; S268-E271 PolarHBondContact O-N 3.26Å; S268-D272 WeakPolarHBondContact CB-OD2 3.17Å; S268-D272 WeakPolarHBondContact O-CB 3.47Å; S268-D272 PolarHBondContact O-N 3.47Å; S268-D272 PolarHBondContact OG-OD2 3.21Å
269E92Very high90.1Very high94 Ų9455.7 Ų55.744%0.43931%0.309SS..Hα-helixtrans-53.4-33-176.6-67.6160.5118.300113.2L265 S266 V273L265-E269 HydrophobicContact CB-CB 4.07Å; S266-E269 WeakPolarHBondContact CA-OE2 3.35Å; S266-E269 WeakPolarHBondContact CB-OE2 3.47Å; S266-E269 PolarHBondContact N-OE2 3.42Å; S266-E269 WeakPolarHBondContact OG-CG 3.46Å; S266-E269 PolarHBondContact OG-N 3.16Å; S266-E269 PolarHBondContact OG-OE2 2.86Å; E269-V273 VanDerWaalsContact O-CB 3.24Å; E269-V273 WeakPolarHBondContact O-CB 3.39Å; E269-V273 WeakPolarHBondContact O-CG2 3.42Å; E269-V273 PolarHBondContact O-N 3.02Å
270R88.3Confident89.8Confident75 Ų7551.1 Ų51.128%0.28330%0.295SS..Hα-helixtrans-73.5-41.3173.3-76.6-175.5-74.3131.1-2113.5Y261 H262 L265 S266 S268 Q274Y261-R270 HydrophobicContact CD2-CB 4.31Å; Y261-R270 HydrophobicContact CD2-CG 4.17Å; Y261-R270 HydrophobicContact CE1-CG 4.47Å; Y261-R270 HydrophobicContact CE2-CB 3.64Å; Y261-R270 HydrophobicContact CE2-CG 3.84Å; Y261-R270 WeakPolarHBondContact CE2-O 3.29Å; H262-R270 WeakPolarHBondContact O-CD 3.22Å; L265-R270 HydrophobicContact CB-CG 3.82Å; L265-R270 HydrophobicContact CD1-CG 4.36Å; L265-R270 PolarHBondContact O-NE 2.94Å; L265-R270 VanDerWaalsContact O-NE 3.17Å; S266-R270 PolarHBondContact O-N 3.37Å; S266-R270 PolarHBondContact O-NE 3.34Å; S266-R270 VanDerWaalsContact O-NE 3.13Å; S268-R270 CarbonylContact O-C 3.25Å; S268-R270 PolarHBondContact O-N 3.36Å; R270-Q274 WeakPolarHBondContact O-CB 3.39Å; R270-Q274 PolarHBondContact O-N 2.87Å
271E85.3Confident89.5Confident82 Ų8256 Ų5638%0.38332%0.318SS..Hα-helixtrans-65.3-42.8174.5-71.6168.2164.900110.1K267 S268 Q274 M275K267-E271 WeakPolarHBondContact CE-OE1 3.25Å; K267-E271 IonicContact NZ-OE1 3.47Å; K267-E271 PolarHBondContact NZ-OE1 3.08Å; K267-E271 IonicContact NZ-OE2 2.72Å; K267-E271 PolarHBondContact NZ-OE2 3.18Å; K267-E271 WeakPolarHBondContact O-CG 3.4Å; K267-E271 PolarHBondContact O-N 3.34Å; K267-E271 VanDerWaalsContact O-N 3.13Å; S268-E271 CarbonylContact O-C 3.55Å; S268-E271 WeakPolarHBondContact O-CA 3.25Å; S268-E271 PolarHBondContact O-N 3.26Å; E271-Q274 PolarHBondContact O-N 3.17Å; E271-M275 WeakPolarHBondContact O-CB 3.43Å; E271-M275 VanDerWaalsContact O-CG 3.24Å; E271-M275 WeakPolarHBondContact O-CG 3.49Å; E271-M275 PolarHBondContact O-N 2.96Å
272D90.9Very high89.4Confident81 Ų8156 Ų5643%0.43332%0.318SS..Hα-helixtrans-63-43.2175.1-59.9-43.4000112.2S268 G276S268-D272 WeakPolarHBondContact CB-OD2 3.17Å; S268-D272 WeakPolarHBondContact O-CB 3.47Å; S268-D272 PolarHBondContact O-N 3.47Å; S268-D272 PolarHBondContact OG-OD2 3.21Å; D272-G276 PolarHBondContact O-N 2.97Å
273V91.8Very high89.5Confident17 Ų1756.1 Ų56.110%0.10332%0.319CS..Hα-helixtrans-67.6-42.8175.2167.50000111.8R259 Y261 E269 G276 W277 Y282 V285R259-V273 HydrophobicContact CB-CG1 4.12Å; R259-V273 HydrophobicContact CB-CG2 4.22Å; Y261-V273 HydrophobicContact CD2-CB 4.35Å; Y261-V273 HydrophobicContact CD2-CG1 4Å; E269-V273 VanDerWaalsContact O-CB 3.24Å; E269-V273 WeakPolarHBondContact O-CB 3.39Å; E269-V273 WeakPolarHBondContact O-CG2 3.42Å; E269-V273 PolarHBondContact O-N 3.02Å; V273-G276 PolarHBondContact O-N 3.33Å; V273-W277 PolarHBondContact O-N 3.46Å; V273-W277 VanDerWaalsContact O-N 3.07Å; V273-Y282 VanDerWaalsContact CA-OH 3.23Å; V273-Y282 WeakPolarHBondContact CA-OH 3.47Å; V273-Y282 PolarHBondContact O-OH 3.2Å; V273-V285 HydrophobicContact CG1-CG2 4.21Å
274Q87.3Confident89.9Confident57 Ų5753.2 Ų53.227%0.26630%0.295SS..Hα-helixtrans-65.2-41.2178.1-176.7173.9-19.100111.5Y261 R270 E271 S278 F291Y261-Q274 HydrophobicContact CE2-CB 4.22Å; R270-Q274 WeakPolarHBondContact O-CB 3.39Å; R270-Q274 PolarHBondContact O-N 2.87Å; E271-Q274 PolarHBondContact O-N 3.17Å; Q274-S278 VanDerWaalsContact O-CB 3.24Å; Q274-S278 WeakPolarHBondContact O-CB 3.18Å; Q274-S278 PolarHBondContact O-N 3.48Å; Q274-S278 VanDerWaalsContact O-N 3.12Å; Q274-S278 PolarHBondContact O-OG 2.76Å; Q274-F291 HydrophobicContact CB-CE2 4.43Å; Q274-F291 HydrophobicContact CG-CE2 4.28Å
275M86.6Confident90.2Very high113 Ų11351.2 Ų51.256%0.55728%0.275SS*.Hα-helixtrans-65.3-47.7175.1-73.8-173.4-63.100111.6E271 W277 S278 S279E271-M275 WeakPolarHBondContact O-CB 3.43Å; E271-M275 VanDerWaalsContact O-CG 3.24Å; E271-M275 WeakPolarHBondContact O-CG 3.49Å; E271-M275 PolarHBondContact O-N 2.96Å; M275-W277 PolarHBondContact O-N 2.8Å; M275-S278 PolarHBondContact O-N 2.9Å; M275-S278 VanDerWaalsContact O-N 3.13Å; M275-S279 PolarHBondContact O-N 2.99Å; M275-S279 PolarHBondContact O-OG 3.18Å; M275-S279 VanDerWaalsContact O-OG 3.08Å
276G91.1Very high90.4Very high3 Ų349.4 Ų49.43%0.03127%0.265CS..Hα-helixtrans-62.4-42-177.700000114.1D272 V273 S279 G280 L281D272-G276 PolarHBondContact O-N 2.97Å; V273-G276 PolarHBondContact O-N 3.33Å; G276-S279 PolarHBondContact O-OG 2.79Å; G276-G280 PolarHBondContact O-N 3.28Å; G276-G280 VanDerWaalsContact O-N 3.12Å; G276-L281 WeakPolarHBondContact O-CB 3.33Å; G276-L281 PolarHBondContact O-N 3Å
277W91.8Very high90.5Very high0 Ų046.8 Ų46.80%025%0.247CC..Hα-helixtrans-67.9-37.5172.4-176.981.2000112.2C233 G234 I235 V273 M275 G280 Y282 P283 V285 F291 V295 K297 V300C233-W277 HydrophobicContact CB-CZ2 3.99Å; G234-W277 PolarHBondContact O-NE1 3.43Å; I235-W277 HydrophobicContact CD1-CH2 4Å; I235-W277 HydrophobicContact CD1-CZ2 4.22Å; I235-W277 HydrophobicContact CG1-CH2 3.94Å; I235-W277 HydrophobicContact CG1-CZ2 3.63Å; V273-W277 PolarHBondContact O-N 3.46Å; V273-W277 VanDerWaalsContact O-N 3.07Å; M275-W277 PolarHBondContact O-N 2.8Å; W277-G280 PolarHBondContact O-N 3.47Å; W277-Y282 HydrophobicContact CB-CD2 4.38Å; W277-Y282 HydrophobicContact CB-CE2 3.81Å; W277-P283 PolarHBondContact NE1-O 3.1Å; W277-V285 HydrophobicContact CB-CB 4.39Å; W277-V285 HydrophobicContact CD2-CB 4.34Å; W277-V285 HydrophobicContact CD2-CG1 3.85Å; W277-V285 HydrophobicContact CG-CB 3.88Å; W277-V285 HydrophobicContact CG-CG1 3.93Å; W277-V285 HydrophobicContact CZ2-CG1 4.17Å; W277-F291 HydrophobicContact CD2-CZ 4.36Å; W277-F291 AromaticContact CE3-CZ 3.99Å; W277-F291 HydrophobicContact CE3-CZ 3.99Å; W277-F291 HydrophobicContact CZ3-CZ 4.29Å; W277-V295 HydrophobicContact CE3-CG1 4.35Å; W277-V295 HydrophobicContact CH2-CG1 4.06Å; W277-V295 HydrophobicContact CZ3-CG1 3.44Å; W277-V295 VanDerWaalsContact CZ3-CG1 3.44Å; W277-K297 HydrophobicContact CD2-CD 4.47Å; W277-K297 HydrophobicContact CE3-CD 3.91Å; W277-K297 HydrophobicContact CH2-CB 3.96Å; W277-K297 HydrophobicContact CH2-CD 3.65Å; W277-K297 HydrophobicContact CH2-CG 4.34Å; W277-K297 HydrophobicContact CZ2-CD 4.21Å; W277-K297 HydrophobicContact CZ3-CB 3.88Å; W277-K297 HydrophobicContact CZ3-CD 3.45Å; W277-K297 VanDerWaalsContact CZ3-CD 3.45Å; W277-K297 HydrophobicContact CZ3-CG 4.29Å; W277-V300 HydrophobicContact CH2-CG2 3.75Å; W277-V300 HydrophobicContact CZ2-CG2 4.1Å
278S86.6Confident90.7Very high54 Ų5442.4 Ų42.438%0.37823%0.229SC..Hα-helixtrans-66.5-41.9179.9-61.70000112.4Q274 M275 K297Q274-S278 VanDerWaalsContact O-CB 3.24Å; Q274-S278 WeakPolarHBondContact O-CB 3.18Å; Q274-S278 PolarHBondContact O-N 3.48Å; Q274-S278 VanDerWaalsContact O-N 3.12Å; Q274-S278 PolarHBondContact O-OG 2.76Å; M275-S278 PolarHBondContact O-N 2.9Å; M275-S278 VanDerWaalsContact O-N 3.13Å; S278-K297 PolarHBondContact O-NZ 2.76Å
279S86.3Confident90Very high75 Ų7542.3 Ų42.352%0.52422%0.223SC..Hα-helixtrans-78.7-18.2178.361.90000114.2M275 G276M275-S279 PolarHBondContact O-N 2.99Å; M275-S279 PolarHBondContact O-OG 3.18Å; M275-S279 VanDerWaalsContact O-OG 3.08Å; G276-S279 PolarHBondContact O-OG 2.79Å
280G88.7Confident88.9Confident11 Ų1140.6 Ų40.611%0.11322%0.222CC..THydrogen-bonded Turntrans89.434.2-179.300000114.2G276 W277 Y282G276-G280 PolarHBondContact O-N 3.28Å; G276-G280 VanDerWaalsContact O-N 3.12Å; W277-G280 PolarHBondContact O-N 3.47Å; G280-Y282 PolarHBondContact O-N 2.71Å
281L90.3Very high87.9Confident120 Ų12037.3 Ų37.363%0.62821%0.209SC*.SBendtrans-67-24.2164.5-62-176.6000112G276G276-L281 WeakPolarHBondContact O-CB 3.33Å; G276-L281 PolarHBondContact O-N 3Å
282Y92.9Very high86.6Confident19 Ų1933.5 Ų33.58%0.07519%0.193CC..  trans-160.6148.9175.142-90.9000110.4S257 R259 V273 W277 G280 I284S257-Y282 WeakPolarHBondContact OG-CB 3.44Å; R259-Y282 HydrophobicContact CB-CD2 4.27Å; R259-Y282 HydrophobicContact CB-CE2 3.65Å; R259-Y282 HydrophobicContact CG-CD1 4.19Å; R259-Y282 HydrophobicContact CG-CD2 4.07Å; R259-Y282 HydrophobicContact CG-CE1 3.79Å; R259-Y282 HydrophobicContact CG-CE2 3.63Å; R259-Y282 HydrophobicContact CG-CG 4.33Å; R259-Y282 VanDerWaalsContact CG-CZ 3.49Å; V273-Y282 VanDerWaalsContact CA-OH 3.23Å; V273-Y282 WeakPolarHBondContact CA-OH 3.47Å; V273-Y282 PolarHBondContact O-OH 3.2Å; W277-Y282 HydrophobicContact CB-CD2 4.38Å; W277-Y282 HydrophobicContact CB-CE2 3.81Å; G280-Y282 PolarHBondContact O-N 2.71Å; Y282-I284 WeakPolarHBondContact CD2-O 3.41Å
283P94.5Very high85Confident3 Ų332 Ų322%0.01918%0.183CC..SBendtrans-79.2-24.1-170.830.8-37.6000114I218 W228 C233 G234 L256 S257 W277I218-P283 HydrophobicContact CD1-CB 3.8Å; I218-P283 HydrophobicContact CD1-CG 3.93Å; W228-P283 VanDerWaalsContact CD2-CD 3.48Å; W228-P283 HydrophobicContact CD2-CG 4.06Å; W228-P283 HydrophobicContact CE3-CB 4.19Å; W228-P283 HydrophobicContact CE3-CG 3.57Å; W228-P283 HydrophobicContact CH2-CG 4.49Å; W228-P283 HydrophobicContact CZ3-CG 3.82Å; C233-P283 CarbonylContact C-O 3.59Å; C233-P283 VanDerWaalsContact CA-O 3.24Å; C233-P283 WeakPolarHBondContact CA-O 3.39Å; C233-P283 VanDerWaalsContact CB-O 3.28Å; C233-P283 WeakPolarHBondContact CB-O 3.36Å; G234-P283 PolarHBondContact N-O 3.33Å; L256-P283 HydrophobicContact CD1-CG 3.98Å; S257-P283 WeakPolarHBondContact O-CD 3.18Å; W277-P283 PolarHBondContact NE1-O 3.1Å
284I95.8Very high83.5Confident0 Ų031.8 Ų31.80%019%0.185CC..EExtended strand (participates in β ladder)trans-120.7132.7-168.3-65.1173.6000112.2A214 G234 V236 L256 S258 R259 Y282 V286 F302A214-I284 HydrophobicContact CB-CD1 3.94Å; G234-I284 WeakPolarHBondContact O-CA 3.41Å; V236-I284 HydrophobicContact CG2-CG2 4.09Å; L256-I284 HydrophobicContact CD1-CD1 4.19Å; L256-I284 HydrophobicContact CD2-CD1 3.59Å; L256-I284 HydrophobicContact CG-CD1 3.71Å; S258-I284 WeakPolarHBondContact CA-O 3.4Å; R259-I284 PolarHBondContact N-O 3.24Å; R259-I284 VanDerWaalsContact N-O 3.16Å; Y282-I284 WeakPolarHBondContact CD2-O 3.41Å; I284-V286 HydrophobicContact CG2-CG2 3.95Å; I284-F302 HydrophobicContact CD1-CE1 4.11Å; I284-F302 HydrophobicContact CD1-CZ 3.76Å; I284-F302 HydrophobicContact CG1-CE1 4.21Å; I284-F302 HydrophobicContact CG1-CZ 3.89Å
285V95.4Very high82.7Confident0 Ų029.7 Ų29.70%018%0.176CC..EExtended strand (participates in β ladder)trans-115.6128.9167.461.80000109.3G234 I235 V236 R259 V273 W277 F291G234-V285 PolarHBondContact O-N 3.09Å; I235-V285 HydrophobicContact CB-CG1 4.44Å; I235-V285 HydrophobicContact CG1-CG1 4.08Å; I235-V285 HydrophobicContact CG2-CG1 4.33Å; V236-V285 PolarHBondContact N-O 3.03Å; R259-V285 WeakPolarHBondContact O-CA 3.48Å; V273-V285 HydrophobicContact CG1-CG2 4.21Å; W277-V285 HydrophobicContact CB-CB 4.39Å; W277-V285 HydrophobicContact CD2-CB 4.34Å; W277-V285 HydrophobicContact CD2-CG1 3.85Å; W277-V285 HydrophobicContact CG-CB 3.88Å; W277-V285 HydrophobicContact CG-CG1 3.93Å; W277-V285 HydrophobicContact CZ2-CG1 4.17Å; V285-F291 HydrophobicContact CB-CE1 4.46Å; V285-F291 HydrophobicContact CB-CZ 4.26Å; V285-F291 HydrophobicContact CG1-CD1 4.18Å; V285-F291 HydrophobicContact CG1-CE1 3.42Å; V285-F291 VanDerWaalsContact CG1-CE1 3.42Å; V285-F291 HydrophobicContact CG1-CE2 4.46Å; V285-F291 HydrophobicContact CG1-CZ 3.59Å; V285-F291 HydrophobicContact CG2-CD2 4.41Å; V285-F291 HydrophobicContact CG2-CE1 4.32Å; V285-F291 HydrophobicContact CG2-CE2 4.02Å; V285-F291 HydrophobicContact CG2-CZ 3.98Å
286V97Very high82.2Confident0 Ų028.6 Ų28.60%017%0.172CC..EExtended strand (participates in β ladder)trans-108.4102.1-179.3-169.80000108.3V236 C244 L247 A248 R259 A260 Y261 I284V236-V286 HydrophobicContact CB-CB 4.3Å; V236-V286 HydrophobicContact CB-CG1 3.99Å; V236-V286 HydrophobicContact CB-CG2 4.19Å; V236-V286 HydrophobicContact CG1-CG1 3.9Å; V236-V286 HydrophobicContact CG2-CG2 4.37Å; C244-V286 HydrophobicContact CB-CG1 4.24Å; C244-V286 WeakPolarHBondContact CB-O 3.27Å; L247-V286 HydrophobicContact CB-CG1 4.16Å; L247-V286 HydrophobicContact CD2-CG1 4.22Å; L247-V286 HydrophobicContact CG-CG1 4.32Å; A248-V286 HydrophobicContact CB-CB 4.08Å; A248-V286 HydrophobicContact CB-CG2 3.83Å; R259-V286 PolarHBondContact O-N 3.3Å; A260-V286 CarbonylContact C-O 3.56Å; A260-V286 VanDerWaalsContact CA-O 3.24Å; A260-V286 WeakPolarHBondContact CA-O 3.49Å; Y261-V286 PolarHBondContact N-O 3.23Å; I284-V286 HydrophobicContact CG2-CG2 3.95Å
287A93.4Very high81.9Confident0 Ų030 Ų300%018%0.178CC..EExtended strand (participates in β ladder)trans-119.8147.3-160.300000113.8V236 Y237 C238 Y261 F291V236-A287 PolarHBondContact O-N 2.9Å; Y237-A287 WeakPolarHBondContact CA-O 3.4Å; Y237-A287 HydrophobicContact CE1-CB 4.48Å; C238-A287 PolarHBondContact N-O 3.47Å; Y261-A287 CarbonylContact O-C 3.57Å; Y261-A287 VanDerWaalsContact O-CA 3.28Å; Y261-A287 WeakPolarHBondContact O-CA 3.32Å; A287-F291 HydrophobicContact CB-CB 3.47Å; A287-F291 VanDerWaalsContact CB-CB 3.47Å; A287-F291 HydrophobicContact CB-CD1 4.14Å; A287-F291 HydrophobicContact CB-CG 3.91Å
288T90Very high81.8Confident21 Ų2133.6 Ų33.613%0.12920%0.201CC..  trans-74.5159.1153.153.60000110.2C238 C244 Y261 H262 S290 F291C238-T288 WeakPolarHBondContact O-CA 3.29Å; C244-T288 PolarHBondContact SG-N 2.87Å; C244-T288 VanDerWaalsContact SG-N 3.4Å; Y261-T288 PolarHBondContact O-N 3.09Å; Y261-T288 PolarHBondContact O-OG1 3.5Å; H262-T288 WeakPolarHBondContact CA-OG1 3.24Å; H262-T288 HydrophobicContact CB-CG2 3.92Å; H262-T288 WeakPolarHBondContact CB-OG1 3.24Å; T288-S290 PolarHBondContact O-N 3.46Å; T288-S290 PolarHBondContact O-OG 3.19Å; T288-S290 PolarHBondContact OG1-OG 2.97Å; T288-F291 PolarHBondContact O-N 2.9Å
289I75.1Confident82Confident63 Ų6332.8 Ų32.832%0.32319%0.192SC..G310 helixtrans-42.3-30.4178.8-57.9173.9000113.3F291 G292 K310I289-F291 PolarHBondContact O-N 3.25Å; I289-G292 PolarHBondContact O-N 3Å; I289-K310 HydrophobicContact CD1-CD 4.3Å
290S67.5Low82.4Confident59 Ų5929.3 Ų29.341%0.41317%0.168SC..G310 helixtrans-51.3-20.6173.859.60000117T288T288-S290 PolarHBondContact O-N 3.46Å; T288-S290 PolarHBondContact O-OG 3.19Å; T288-S290 PolarHBondContact OG1-OG 2.97Å
291F68.7Low82.8Confident5 Ų530.4 Ų30.42%0.02217%0.169CC..G310 helixtrans-78.9-27.6172.4-171.2-108.3000112.5I235 Y261 Q274 W277 V285 A287 T288 I289 M293 V295I235-F291 HydrophobicContact CD1-CE1 4.26Å; I235-F291 HydrophobicContact CG1-CE1 4.38Å; I235-F291 HydrophobicContact CG2-CD1 4.36Å; Y261-F291 HydrophobicContact CD1-CB 3.69Å; Y261-F291 AromaticContact CD1-CD2 3.75Å; Y261-F291 HydrophobicContact CD1-CD2 3.75Å; Y261-F291 HydrophobicContact CD1-CG 4.18Å; Y261-F291 AromaticContact CD2-CD2 3.69Å; Y261-F291 HydrophobicContact CD2-CD2 3.69Å; Y261-F291 HydrophobicContact CD2-CE2 4.09Å; Y261-F291 HydrophobicContact CE1-CB 3.98Å; Y261-F291 AromaticContact CE1-CD2 3.95Å; Y261-F291 HydrophobicContact CE1-CD2 3.95Å; Y261-F291 HydrophobicContact CE1-CG 4.49Å; Y261-F291 AromaticContact CE2-CD2 3.84Å; Y261-F291 HydrophobicContact CE2-CD2 3.84Å; Y261-F291 HydrophobicContact CE2-CE2 4.3Å; Y261-F291 HydrophobicContact CG-CB 4.3Å; Y261-F291 AromaticContact CG-CD2 3.63Å; Y261-F291 HydrophobicContact CG-CD2 3.63Å; Y261-F291 HydrophobicContact CG-CE2 4.37Å; Y261-F291 HydrophobicContact CG-CG 4.34Å; Y261-F291 AromaticContact CZ-CD2 3.99Å; Q274-F291 HydrophobicContact CB-CE2 4.43Å; Q274-F291 HydrophobicContact CG-CE2 4.28Å; W277-F291 HydrophobicContact CD2-CZ 4.36Å; W277-F291 AromaticContact CE3-CZ 3.99Å; W277-F291 HydrophobicContact CE3-CZ 3.99Å; W277-F291 HydrophobicContact CZ3-CZ 4.29Å; V285-F291 HydrophobicContact CB-CE1 4.46Å; V285-F291 HydrophobicContact CB-CZ 4.26Å; V285-F291 HydrophobicContact CG1-CD1 4.18Å; V285-F291 HydrophobicContact CG1-CE1 3.42Å; V285-F291 VanDerWaalsContact CG1-CE1 3.42Å; V285-F291 HydrophobicContact CG1-CE2 4.46Å; V285-F291 HydrophobicContact CG1-CZ 3.59Å; V285-F291 HydrophobicContact CG2-CD2 4.41Å; V285-F291 HydrophobicContact CG2-CE1 4.32Å; V285-F291 HydrophobicContact CG2-CE2 4.02Å; V285-F291 HydrophobicContact CG2-CZ 3.98Å; A287-F291 HydrophobicContact CB-CB 3.47Å; A287-F291 VanDerWaalsContact CB-CB 3.47Å; A287-F291 HydrophobicContact CB-CD1 4.14Å; A287-F291 HydrophobicContact CB-CG 3.91Å; T288-F291 PolarHBondContact O-N 2.9Å; I289-F291 PolarHBondContact O-N 3.25Å; F291-M293 PolarHBondContact O-N 3.37Å; F291-V295 HydrophobicContact CD1-CG2 4.21Å; F291-V295 HydrophobicContact CD2-CG2 4.3Å; F291-V295 HydrophobicContact CE1-CB 4.4Å; F291-V295 HydrophobicContact CE1-CG1 4.26Å; F291-V295 HydrophobicContact CE1-CG2 3.83Å; F291-V295 HydrophobicContact CE2-CG2 3.94Å; F291-V295 HydrophobicContact CG-CG2 4.43Å; F291-V295 HydrophobicContact CZ-CG1 4.33Å; F291-V295 HydrophobicContact CZ-CG2 3.69Å
292G56.9Low83.1Confident3 Ų324.7 Ų24.73%0.03114%0.139CC..THydrogen-bonded Turntrans-77.525.3-166.200000117Y237 I289 R321Y237-G292 VanDerWaalsContact OH-CA 3.24Å; Y237-G292 WeakPolarHBondContact OH-CA 3.46Å; I289-G292 PolarHBondContact O-N 3Å; G292-R321 VanDerWaalsContact O-CZ 3.24Å; G292-R321 PolarHBondContact O-NE 3.42Å; G292-R321 PolarHBondContact O-NH2 2.89Å
293M57.5Low83.3Confident48 Ų4823.8 Ų23.824%0.23614%0.135CC..THydrogen-bonded Turntrans-132.30.3-175.7-59.7-175.274.100116.1L28 D121 F291L28-M293 HydrophobicContact CD1-CB 3.49Å; L28-M293 VanDerWaalsContact CD1-CB 3.49Å; L28-M293 HydrophobicContact CD1-CE 3.74Å; L28-M293 HydrophobicContact CD1-CG 4.2Å; L28-M293 HydrophobicContact CD1-SD 3.7Å; L28-M293 HydrophobicContact CG-CE 4.07Å; D121-M293 VanDerWaalsContact OD2-CE 3.28Å; D121-M293 WeakPolarHBondContact OD2-CE 3.3Å; F291-M293 PolarHBondContact O-N 3.37Å
294G59.2Low83.5Confident13 Ų1323.7 Ų23.713%0.13413%0.134CC..SBendtrans-149.517.4-176.800000115.9
295V71Confident83.5Confident13 Ų1323.8 Ų23.88%0.07914%0.135CC..  trans-109.7125.8-175.7176.20000110W277 F291 R321W277-V295 HydrophobicContact CE3-CG1 4.35Å; W277-V295 HydrophobicContact CH2-CG1 4.06Å; W277-V295 HydrophobicContact CZ3-CG1 3.44Å; W277-V295 VanDerWaalsContact CZ3-CG1 3.44Å; F291-V295 HydrophobicContact CD1-CG2 4.21Å; F291-V295 HydrophobicContact CD2-CG2 4.3Å; F291-V295 HydrophobicContact CE1-CB 4.4Å; F291-V295 HydrophobicContact CE1-CG1 4.26Å; F291-V295 HydrophobicContact CE1-CG2 3.83Å; F291-V295 HydrophobicContact CE2-CG2 3.94Å; F291-V295 HydrophobicContact CG-CG2 4.43Å; F291-V295 HydrophobicContact CZ-CG1 4.33Å; F291-V295 HydrophobicContact CZ-CG2 3.69Å; V295-R321 PolarHBondContact O-NH1 3.41Å
296D76.3Confident83.5Confident91 Ų9124.8 Ų24.849%0.48714%0.139SC..  trans-124.7116.8165.9-157.3-8.9000109.7R324D296-R324 WeakPolarHBondContact OD1-CD 3.32Å; D296-R324 IonicContact OD1-CZ 3.82Å; D296-R324 IonicContact OD1-NE 2.77Å; D296-R324 IonicContact OD1-NH1 3.17Å; D296-R324 PolarHBondContact OD1-NH1 3.46Å; D296-R324 IonicContact OD2-NH1 2.74Å; D296-R324 PolarHBondContact OD2-NH1 3.41Å
297K85.5Confident83.3Confident33 Ų3325.2 Ų25.214%0.14314%0.142CC..  trans-143.7121177.5-172.3168.1175.469.50107.3C233 W277 S278 N299 V300C233-K297 VanDerWaalsContact SG-CD 3.55Å; C233-K297 WeakPolarHBondContact SG-CE 3.4Å; W277-K297 HydrophobicContact CD2-CD 4.47Å; W277-K297 HydrophobicContact CE3-CD 3.91Å; W277-K297 HydrophobicContact CH2-CB 3.96Å; W277-K297 HydrophobicContact CH2-CD 3.65Å; W277-K297 HydrophobicContact CH2-CG 4.34Å; W277-K297 HydrophobicContact CZ2-CD 4.21Å; W277-K297 HydrophobicContact CZ3-CB 3.88Å; W277-K297 HydrophobicContact CZ3-CD 3.45Å; W277-K297 VanDerWaalsContact CZ3-CD 3.45Å; W277-K297 HydrophobicContact CZ3-CG 4.29Å; S278-K297 PolarHBondContact O-NZ 2.76Å; K297-N299 WeakPolarHBondContact CE-OD1 3.45Å; K297-N299 WeakPolarHBondContact CG-OD1 3.4Å; K297-V300 HydrophobicContact CB-CG2 4.21Å; K297-V300 WeakPolarHBondContact O-CG2 3.22Å
298P88.4Confident83.2Confident74 Ų7425.6 Ų25.648%0.48114%0.143SC..THydrogen-bonded Turntrans-68.9-38-17023.6-32.6000112.9V300 R324 D325P298-V300 VanDerWaalsContact C-N 3.3Å; P298-V300 PolarHBondContact O-N 2.95Å; P298-R324 PolarHBondContact O-N 3.22Å; P298-D325 HydrophobicContact CB-CB 4.15Å; P298-D325 VanDerWaalsContact O-CG 3.31Å; P298-D325 PolarHBondContact O-N 2.74Å
299N92.2Very high83.3Confident38 Ų3824.8 Ų24.820%0.20314%0.139CC..THydrogen-bonded Turntrans-87.431.1-171.771.8-47.1000115L231 C233 K297 R301L231-N299 PolarHBondContact O-ND2 2.89Å; C233-N299 PolarHBondContact N-O 2.71Å; C233-N299 VanDerWaalsContact SG-C 3.56Å; C233-N299 PolarHBondContact SG-O 3Å; K297-N299 WeakPolarHBondContact CE-OD1 3.45Å; K297-N299 WeakPolarHBondContact CG-OD1 3.4Å; N299-R301 PolarHBondContact O-N 2.71Å
300V94.4Very high83.8Confident2 Ų228.6 Ų28.61%0.01215%0.153CC..EExtended strand (participates in β ladder)trans-73.5104.4171.7179.40000108.7C233 I235 W277 K297 P298 F302 V303 G323C233-V300 CarbonylContact O-C 3.51Å; C233-V300 WeakPolarHBondContact O-CA 3.34Å; I235-V300 HydrophobicContact CD1-CG1 4.38Å; I235-V300 HydrophobicContact CD1-CG2 4.42Å; I235-V300 HydrophobicContact CG1-CG1 4.36Å; W277-V300 HydrophobicContact CH2-CG2 3.75Å; W277-V300 HydrophobicContact CZ2-CG2 4.1Å; K297-V300 HydrophobicContact CB-CG2 4.21Å; K297-V300 WeakPolarHBondContact O-CG2 3.22Å; P298-V300 VanDerWaalsContact C-N 3.3Å; P298-V300 PolarHBondContact O-N 2.95Å; V300-F302 VanDerWaalsContact CG1-O 3.27Å; V300-F302 WeakPolarHBondContact CG1-O 3.49Å; V300-V303 HydrophobicContact CG1-CG2 4.16Å; V300-G323 PolarHBondContact O-N 2.73Å
301R96.8Very high84.8Confident34 Ų3425.9 Ų25.913%0.12813%0.134CC..EExtended strand (participates in β ladder)trans-84.6-20.2-180-63.9-76.169.782.95.9113.6S217 C233 N299 D325 Q328 A329 S330S217-R301 WeakPolarHBondContact O-CB 3.2Å; S217-R301 WeakPolarHBondContact O-CG 3.47Å; C233-R301 PolarHBondContact O-N 3.42Å; N299-R301 PolarHBondContact O-N 2.71Å; R301-D325 IonicContact CZ-OD1 2.85Å; R301-D325 IonicContact CZ-OD2 2.63Å; R301-D325 IonicContact NH1-OD1 2.74Å; R301-D325 IonicContact NH1-OD2 2.65Å; R301-D325 PolarHBondContact NH1-OD2 3.45Å; R301-D325 VanDerWaalsContact NH2-CG 3.29Å; R301-D325 IonicContact NH2-OD1 3.17Å; R301-D325 PolarHBondContact NH2-OD1 2.98Å; R301-D325 IonicContact NH2-OD2 3.12Å; R301-D325 PolarHBondContact NH2-OD2 3.15Å; R301-D325 VanDerWaalsContact NH2-OD2 3.08Å; R301-Q328 PolarHBondContact NE-O 3.21Å; R301-A329 CarbonylContact O-C 3.52Å; R301-A329 WeakPolarHBondContact O-CA 3.15Å; R301-A329 VanDerWaalsContact O-CB 3.25Å; R301-A329 WeakPolarHBondContact O-CB 3.41Å; R301-S330 PolarHBondContact O-N 3.04Å
302F97.7Very high85.9Confident0 Ų025.9 Ų25.90%013%0.134CC..EExtended strand (participates in β ladder)trans-145.2151.8169.775.6-98.7000114.6F213 A214 I218 G234 I235 V236 I284 V300 L304 S330F213-F302 HydrophobicContact CE1-CB 3.9Å; F213-F302 AromaticContact CE1-CD2 3.87Å; F213-F302 HydrophobicContact CE1-CD2 3.87Å; F213-F302 AromaticContact CE1-CG 3.94Å; F213-F302 HydrophobicContact CE1-CG 3.94Å; F213-F302 HydrophobicContact CZ-CB 4.05Å; A214-F302 HydrophobicContact CB-CE1 3.67Å; A214-F302 HydrophobicContact CB-CZ 3.7Å; I218-F302 HydrophobicContact CG2-CD1 3.87Å; I218-F302 HydrophobicContact CG2-CE1 3.78Å; G234-F302 WeakPolarHBondContact CA-O 3.35Å; I235-F302 PolarHBondContact N-O 3.07Å; I235-F302 VanDerWaalsContact N-O 3.09Å; V236-F302 HydrophobicContact CG2-CE2 3.94Å; V236-F302 HydrophobicContact CG2-CZ 4.45Å; I284-F302 HydrophobicContact CD1-CE1 4.11Å; I284-F302 HydrophobicContact CD1-CZ 3.76Å; I284-F302 HydrophobicContact CG1-CE1 4.21Å; I284-F302 HydrophobicContact CG1-CZ 3.89Å; V300-F302 VanDerWaalsContact CG1-O 3.27Å; V300-F302 WeakPolarHBondContact CG1-O 3.49Å; F302-L304 HydrophobicContact CD2-CB 3.79Å; F302-L304 HydrophobicContact CE2-CB 3.84Å; F302-L304 HydrophobicContact CE2-CD1 4.25Å; F302-S330 CarbonylContact C-O 3.55Å; F302-S330 WeakPolarHBondContact CA-O 3.37Å; F302-S330 WeakPolarHBondContact CB-O 3.24Å
303V96.6Very high87.5Confident0 Ų026 Ų260%013%0.134CC..EExtended strand (participates in β ladder)trans-121.9128.3159.11770000108.2I235 Y237 V300 R321 A322 S330 C331 R332I235-V303 HydrophobicContact CB-CG2 4.41Å; I235-V303 CarbonylContact O-C 3.57Å; I235-V303 WeakPolarHBondContact O-CA 3.16Å; Y237-V303 HydrophobicContact CD2-CG1 3.72Å; Y237-V303 HydrophobicContact CE2-CG1 3.82Å; V300-V303 HydrophobicContact CG1-CG2 4.16Å; V303-R321 HydrophobicContact CG2-CB 4.16Å; V303-A322 HydrophobicContact CG2-CB 4Å; V303-S330 PolarHBondContact N-O 2.88Å; V303-C331 WeakPolarHBondContact O-CA 3.26Å; V303-R332 PolarHBondContact O-N 2.74Å
304L97.5Very high89Confident0 Ų024 Ų240%013%0.126CC..EExtended strand (participates in β ladder)trans-125.4114.3-173.6-170.3173.8000109.3V210 F213 I235 V236 Y237 F302 W306 R332 Y334V210-L304 HydrophobicContact CG1-CD1 3.8Å; F213-L304 HydrophobicContact CD1-CD1 3.76Å; F213-L304 HydrophobicContact CD1-CG 4.41Å; F213-L304 HydrophobicContact CE1-CB 4.18Å; F213-L304 HydrophobicContact CE1-CD1 3.93Å; F213-L304 HydrophobicContact CE1-CG 4.15Å; I235-L304 PolarHBondContact O-N 2.96Å; V236-L304 CarbonylContact C-O 3.58Å; V236-L304 VanDerWaalsContact CA-O 3.26Å; V236-L304 WeakPolarHBondContact CA-O 3.42Å; V236-L304 HydrophobicContact CG1-CD2 4.14Å; V236-L304 HydrophobicContact CG2-CB 4.21Å; V236-L304 HydrophobicContact CG2-CD1 4.32Å; Y237-L304 PolarHBondContact N-O 3.04Å; F302-L304 HydrophobicContact CD2-CB 3.79Å; F302-L304 HydrophobicContact CE2-CB 3.84Å; F302-L304 HydrophobicContact CE2-CD1 4.25Å; L304-W306 HydrophobicContact CD2-CB 4.43Å; L304-W306 PolarHBondContact O-N 3.24Å; L304-R332 WeakPolarHBondContact CA-O 3.48Å; L304-Y334 HydrophobicContact CD1-CD2 4.48Å; L304-Y334 HydrophobicContact CD1-CE2 3.83Å; L304-Y334 HydrophobicContact CD2-CD2 3.43Å; L304-Y334 VanDerWaalsContact CD2-CD2 3.43Å; L304-Y334 HydrophobicContact CD2-CE2 3.63Å; L304-Y334 HydrophobicContact CG-CD2 4Å; L304-Y334 HydrophobicContact CG-CE2 3.72Å
305H96.8Very high90.6Very high3 Ų323.4 Ų23.41%0.01412%0.119CC..EExtended strand (participates in β ladder)trans-88.7106172.9-75.876.1000109.6Y237 Y315 E318 R332 I333 Y334Y237-H305 AromaticContact CD2-CE1 3.68Å; Y237-H305 AromaticContact CD2-NE2 3.74Å; H305-Y315 AromaticContact CE1-CD2 3.56Å; H305-Y315 AromaticContact CE1-CE2 3.71Å; H305-Y315 AromaticContact CG-CE2 3.97Å; H305-Y315 AromaticContact ND1-CD2 3.68Å; H305-Y315 AromaticContact ND1-CE2 3.4Å; H305-Y315 WeakPolarHBondContact ND1-CE2 3.34Å; H305-Y315 AromaticContact NE2-CD2 3.89Å; H305-E318 IonicContact CD2-OE2 3.08Å; H305-E318 IonicContact CE1-OE2 3.34Å; H305-E318 IonicContact NE2-OE2 3.77Å; H305-E318 PolarHBondContact NE2-OE2 2.87Å; H305-R332 PolarHBondContact N-O 3.23Å; H305-I333 HydrophobicContact CB-CG1 4.3Å; H305-I333 HydrophobicContact CB-CG2 4.44Å; H305-Y334 PolarHBondContact O-N 3.09Å
306W95.5Very high91.6Very high20 Ų2023 Ų238%0.07612%0.116CC..SBendtrans-73.3-17.4171.6-176.2-111.2000112.2I206 Y207 V210 V236 Y237 C238 L247 L304 Y334 F336I206-W306 HydrophobicContact CD1-CH2 3.63Å; I206-W306 HydrophobicContact CD1-CZ3 3.62Å; I206-W306 HydrophobicContact CG1-CH2 3.81Å; I206-W306 HydrophobicContact CG1-CZ3 3.74Å; I206-W306 HydrophobicContact CG2-CH2 4Å; Y207-W306 HydrophobicContact CE1-CH2 4.24Å; Y207-W306 HydrophobicContact CE1-CZ2 4.35Å; V210-W306 HydrophobicContact CG2-CE3 4.2Å; V210-W306 HydrophobicContact CG2-CZ3 3.68Å; V236-W306 HydrophobicContact CG1-CB 4.2Å; Y237-W306 WeakPolarHBondContact O-CB 3.28Å; Y237-W306 PolarHBondContact O-N 2.78Å; C238-W306 HydrophobicContact CB-CB 4.5Å; L247-W306 HydrophobicContact CD2-CB 4.11Å; L247-W306 HydrophobicContact CD2-CD2 3.77Å; L247-W306 HydrophobicContact CD2-CE3 4.06Å; L247-W306 HydrophobicContact CD2-CG 3.79Å; L304-W306 HydrophobicContact CD2-CB 4.43Å; L304-W306 PolarHBondContact O-N 3.24Å; W306-Y334 HydrophobicContact CE3-CD2 4.44Å; W306-Y334 HydrophobicContact CE3-CG 4.26Å; W306-Y334 HydrophobicContact CZ3-CG 4.37Å; W306-F336 HydrophobicContact CD2-CE2 4.42Å; W306-F336 HydrophobicContact CD2-CZ 4.47Å; W306-F336 HydrophobicContact CE3-CZ 4.35Å; W306-F336 AromaticContact CH2-CZ 3.84Å; W306-F336 HydrophobicContact CH2-CZ 3.84Å; W306-F336 AromaticContact CZ2-CZ 3.95Å; W306-F336 HydrophobicContact CZ2-CZ 3.95Å; W306-F336 HydrophobicContact CZ3-CZ 4.03Å; W306-F336 WeakPolarHBondContact O-CE2 3.46Å
307T91.6Very high92.2Very high10 Ų1019.3 Ų19.36%0.06110%0.097CC..SBendtrans-135.8145.2-179.353.70000110.6C238 R239 E339C238-T307 WeakPolarHBondContact CA-OG1 3.43Å; C238-T307 HydrophobicContact CB-CG2 4.49Å; R239-T307 HydrophobicContact CB-CG2 3.81Å; R239-T307 PolarHBondContact N-OG1 3.39Å; T307-E339 VanDerWaalsContact CA-OE2 3.26Å; T307-E339 WeakPolarHBondContact CA-OE2 3.14Å; T307-E339 VanDerWaalsContact CB-OE1 3.24Å; T307-E339 WeakPolarHBondContact CB-OE1 3.27Å; T307-E339 WeakPolarHBondContact CG2-OE1 3.47Å
308L92.2Very high92.4Very high7 Ų718.2 Ų18.24%0.0379%0.092CC..  trans-54.9125.9-178.9-172.468.7000111Y335 E339 I369 M372 V373 V376L308-Y335 HydrophobicContact CD1-CD2 3.98Å; L308-Y335 HydrophobicContact CD1-CE2 3.8Å; L308-Y335 HydrophobicContact CD2-CE2 4.14Å; L308-Y335 HydrophobicContact CG-CE2 4.46Å; L308-E339 PolarHBondContact N-OE2 2.82Å; L308-I369 HydrophobicContact CD2-CD1 3.87Å; L308-I369 HydrophobicContact CG-CD1 4.45Å; L308-M372 HydrophobicContact CD1-CE 4.48Å; L308-M372 HydrophobicContact CD1-CG 3.96Å; L308-M372 HydrophobicContact CG-CG 4.28Å; L308-V373 HydrophobicContact CD2-CG2 4.02Å; L308-V376 HydrophobicContact CD1-CG2 3.93Å
309P91.3Very high92.6Very high5 Ų514.7 Ų14.73%0.0327%0.069CC..  trans-57.9154.9173.4-22.331.6000112.3S311 Y315 I333 M372P309-S311 VanDerWaalsContact C-N 3.3Å; P309-S311 PolarHBondContact O-N 3.17Å; P309-Y315 HydrophobicContact CB-CD2 4.37Å; P309-Y315 HydrophobicContact CB-CG 4.44Å; P309-Y315 HydrophobicContact CG-CD2 3.43Å; P309-Y315 VanDerWaalsContact CG-CD2 3.43Å; P309-Y315 HydrophobicContact CG-CE2 4.34Å; P309-Y315 HydrophobicContact CG-CG 3.82Å; P309-I333 HydrophobicContact CG-CD1 4.44Å; P309-M372 HydrophobicContact CB-CG 4.29Å; P309-M372 HydrophobicContact CB-SD 3.96Å; P309-M372 HydrophobicContact CG-CE 4.05Å; P309-M372 HydrophobicContact CG-SD 4.08Å
310K85.6Confident92.5Very high142 Ų14212.9 Ų12.962%0.6176%0.06SC*.SBendtrans-65.2-34.9177.5-66.9177.1179.2174.30112.9I289I289-K310 HydrophobicContact CD1-CD 4.3Å
311S89.2Confident92.3Very high3 Ų313.7 Ų13.72%0.0216%0.062CC..  trans-158.9165.417968.60000111.5P309 A313 A314 Y315 D368P309-S311 VanDerWaalsContact C-N 3.3Å; P309-S311 PolarHBondContact O-N 3.17Å; S311-A313 VanDerWaalsContact C-N 3.27Å; S311-A313 PolarHBondContact O-N 3.08Å; S311-A314 PolarHBondContact O-N 3.43Å; S311-A314 PolarHBondContact OG-N 2.9Å; S311-Y315 PolarHBondContact O-N 3.2Å; S311-D368 WeakPolarHBondContact CB-OD2 3.31Å; S311-D368 PolarHBondContact OG-OD2 2.99Å; S311-D368 VanDerWaalsContact OG-OD2 3.11Å
312L92.4Very high92.1Very high5 Ų512 Ų123%0.0266%0.056CC..Hα-helixtrans-66.9-29.1178.2-170.754000112.1Y315 Y316 M372 Y375 M386 Y389L312-Y315 HydrophobicContact CD1-CD1 4.06Å; L312-Y316 WeakPolarHBondContact O-CB 3.38Å; L312-Y316 PolarHBondContact O-N 2.88Å; L312-M372 HydrophobicContact CB-SD 4.25Å; L312-M372 HydrophobicContact CD1-SD 4.18Å; L312-Y375 HydrophobicContact CD1-CD2 3.7Å; L312-Y375 HydrophobicContact CD1-CE2 4.12Å; L312-Y375 HydrophobicContact CD1-CG 3.94Å; L312-Y375 HydrophobicContact CD2-CD2 4.29Å; L312-M386 HydrophobicContact CD1-CE 4.37Å; L312-M386 HydrophobicContact CD1-CG 4.18Å; L312-Y389 HydrophobicContact CB-CD1 4.3Å; L312-Y389 HydrophobicContact CB-CD2 4.25Å; L312-Y389 HydrophobicContact CB-CE1 4.19Å; L312-Y389 HydrophobicContact CB-CE2 4.14Å; L312-Y389 HydrophobicContact CB-CG 4.33Å; L312-Y389 HydrophobicContact CD2-CD1 4.3Å; L312-Y389 HydrophobicContact CD2-CD2 4.07Å; L312-Y389 HydrophobicContact CD2-CG 3.8Å; L312-Y389 HydrophobicContact CG-CD1 4.27Å; L312-Y389 HydrophobicContact CG-CG 4.25Å
313A90.2Very high91.9Very high4 Ų412.1 Ų12.13%0.0336%0.057CC..Hα-helixtrans-62.8-48.4170.300000112.6H120 T148 S311 Y316 Q317 Y389 F390H120-A313 HydrophobicContact CB-CB 4.13Å; T148-A313 HydrophobicContact CG2-CB 4.5Å; T148-A313 WeakPolarHBondContact CG2-O 3.11Å; S311-A313 VanDerWaalsContact C-N 3.27Å; S311-A313 PolarHBondContact O-N 3.08Å; A313-Y316 PolarHBondContact O-N 2.72Å; A313-Q317 PolarHBondContact O-N 2.7Å; A313-Y389 HydrophobicContact CB-CE1 3.97Å; A313-F390 HydrophobicContact CB-CZ 4.5Å
314A88.4Confident91.6Very high7 Ų714.8 Ų14.86%0.0587%0.067CC..Hα-helixtrans-62.5-46.4176.200000111.1H120 S311 Y316 Q317 E318H120-A314 HydrophobicContact CB-CB 4.36Å; S311-A314 PolarHBondContact O-N 3.43Å; S311-A314 PolarHBondContact OG-N 2.9Å; A314-Y316 VanDerWaalsContact C-N 3.32Å; A314-Y316 PolarHBondContact O-N 3.2Å; A314-Q317 PolarHBondContact O-N 2.9Å; A314-Q317 VanDerWaalsContact O-N 3.16Å; A314-E318 WeakPolarHBondContact O-CB 3.06Å; A314-E318 VanDerWaalsContact O-CG 3.28Å; A314-E318 WeakPolarHBondContact O-CG 3.38Å; A314-E318 PolarHBondContact O-N 3.08Å
315Y93.3Very high91.3Very high0 Ų017.6 Ų17.60%08%0.082CC..Hα-helixtrans-55.6-46.3177.6-177.5-122000112Y195 H305 P309 S311 L312 Q317 E318 S319 C331 I333 M372 Y375 M386Y195-Y315 AromaticContact CD1-CE1 3.84Å; Y195-Y315 HydrophobicContact CD1-CE1 3.84Å; Y195-Y315 AromaticContact CD1-CZ 3.95Å; Y195-Y315 VanDerWaalsContact CD1-OH 3.32Å; Y195-Y315 WeakPolarHBondContact CD1-OH 3.37Å; Y195-Y315 AromaticContact CE1-CE1 3.66Å; Y195-Y315 HydrophobicContact CE1-CE1 3.66Å; Y195-Y315 AromaticContact CE1-CZ 3.83Å; H305-Y315 AromaticContact CE1-CD2 3.56Å; H305-Y315 AromaticContact CE1-CE2 3.71Å; H305-Y315 AromaticContact CG-CE2 3.97Å; H305-Y315 AromaticContact ND1-CD2 3.68Å; H305-Y315 AromaticContact ND1-CE2 3.4Å; H305-Y315 WeakPolarHBondContact ND1-CE2 3.34Å; H305-Y315 AromaticContact NE2-CD2 3.89Å; P309-Y315 HydrophobicContact CB-CD2 4.37Å; P309-Y315 HydrophobicContact CB-CG 4.44Å; P309-Y315 HydrophobicContact CG-CD2 3.43Å; P309-Y315 VanDerWaalsContact CG-CD2 3.43Å; P309-Y315 HydrophobicContact CG-CE2 4.34Å; P309-Y315 HydrophobicContact CG-CG 3.82Å; S311-Y315 PolarHBondContact O-N 3.2Å; L312-Y315 HydrophobicContact CD1-CD1 4.06Å; Y315-Q317 PolarHBondContact O-N 2.93Å; Y315-E318 PolarHBondContact O-N 2.81Å; Y315-S319 VanDerWaalsContact O-CB 3.3Å; Y315-S319 WeakPolarHBondContact O-CB 3.36Å; Y315-S319 PolarHBondContact O-N 2.8Å; Y315-S319 PolarHBondContact O-OG 3.01Å; Y315-C331 PolarHBondContact OH-O 3.43Å; Y315-I333 HydrophobicContact CD1-CD1 4.45Å; Y315-I333 HydrophobicContact CD2-CD1 4.15Å; Y315-I333 HydrophobicContact CD2-CG1 4.42Å; Y315-I333 HydrophobicContact CE1-CD1 4.04Å; Y315-I333 HydrophobicContact CE1-CG1 4.47Å; Y315-I333 HydrophobicContact CE2-CD1 3.7Å; Y315-I333 HydrophobicContact CE2-CG1 3.58Å; Y315-I333 HydrophobicContact CG-CD1 4.5Å; Y315-I333 WeakPolarHBondContact OH-CG1 3.25Å; Y315-M372 HydrophobicContact CD1-CE 4.24Å; Y315-M372 HydrophobicContact CG-CE 4.23Å; Y315-M372 HydrophobicContact CG-SD 4.45Å; Y315-Y375 HydrophobicContact CD1-CE1 4.37Å; Y315-Y375 AromaticContact CE1-CE1 3.91Å; Y315-Y375 HydrophobicContact CE1-CE1 3.91Å; Y315-Y375 AromaticContact CE1-CZ 3.78Å; Y315-Y375 WeakPolarHBondContact CE1-OH 3.12Å; Y315-M386 HydrophobicContact CD1-CE 3.67Å; Y315-M386 HydrophobicContact CE1-CE 3.48Å; Y315-M386 VanDerWaalsContact CE1-CE 3.48Å
316Y92.2Very high91Very high4 Ų419.5 Ų19.52%0.01610%0.103CC..Hα-helixtrans-61.3-41.7178.2179.3-104.1000113.1P2 T148 V188 L312 A313 A314 G320 M386 F390P2-Y316 WeakPolarHBondContact CG-OH 3.29Å; T148-Y316 HydrophobicContact CG2-CD1 4.23Å; V188-Y316 WeakPolarHBondContact CA-OH 3.24Å; V188-Y316 HydrophobicContact CB-CE2 3.91Å; V188-Y316 WeakPolarHBondContact O-CE2 3.42Å; V188-Y316 PolarHBondContact O-OH 3.43Å; L312-Y316 WeakPolarHBondContact O-CB 3.38Å; L312-Y316 PolarHBondContact O-N 2.88Å; A313-Y316 PolarHBondContact O-N 2.72Å; A314-Y316 VanDerWaalsContact C-N 3.32Å; A314-Y316 PolarHBondContact O-N 3.2Å; Y316-G320 WeakPolarHBondContact O-CA 3.43Å; Y316-G320 PolarHBondContact O-N 3.11Å; Y316-M386 HydrophobicContact CD2-SD 3.91Å; Y316-F390 AromaticContact CD1-CE2 3.92Å; Y316-F390 HydrophobicContact CD1-CE2 3.92Å; Y316-F390 AromaticContact CD1-CZ 3.93Å; Y316-F390 HydrophobicContact CD1-CZ 3.93Å; Y316-F390 HydrophobicContact CD2-CE2 4.29Å; Y316-F390 AromaticContact CG-CE2 3.79Å; Y316-F390 HydrophobicContact CG-CE2 3.79Å; Y316-F390 HydrophobicContact CG-CZ 4.11Å
317Q88.3Confident90.9Very high15 Ų1523.7 Ų23.77%0.0713%0.126CC..Hα-helixtrans-67.2-38.9176.9-162.8-164.640.300111.9T3 E111 H120 T148 A313 A314 Y315T3-Q317 HydrophobicContact CG2-CG 4.03Å; E111-Q317 PolarHBondContact OE1-NE2 2.81Å; H120-Q317 VanDerWaalsContact NE2-CD 3.34Å; H120-Q317 PolarHBondContact NE2-OE1 3.35Å; T148-Q317 HydrophobicContact CG2-CB 3.99Å; A313-Q317 PolarHBondContact O-N 2.7Å; A314-Q317 PolarHBondContact O-N 2.9Å; A314-Q317 VanDerWaalsContact O-N 3.16Å; Y315-Q317 PolarHBondContact O-N 2.93Å
318E89.7Confident91.1Very high9 Ų928 Ų284%0.04215%0.145CC..Hα-helixtrans-74.1-49.5-178.8-70.6169.6161.400111.9Y237 H305 A314 Y315 R321Y237-E318 HydrophobicContact CD2-CB 4.17Å; Y237-E318 HydrophobicContact CE2-CB 3.82Å; Y237-E318 HydrophobicContact CE2-CG 4.27Å; H305-E318 IonicContact CD2-OE2 3.08Å; H305-E318 IonicContact CE1-OE2 3.34Å; H305-E318 IonicContact NE2-OE2 3.77Å; H305-E318 PolarHBondContact NE2-OE2 2.87Å; A314-E318 WeakPolarHBondContact O-CB 3.06Å; A314-E318 VanDerWaalsContact O-CG 3.28Å; A314-E318 WeakPolarHBondContact O-CG 3.38Å; A314-E318 PolarHBondContact O-N 3.08Å; Y315-E318 PolarHBondContact O-N 2.81Å; E318-R321 VanDerWaalsContact O-CB 3.3Å; E318-R321 WeakPolarHBondContact O-CB 3.38Å; E318-R321 WeakPolarHBondContact O-CD 3.44Å; E318-R321 VanDerWaalsContact O-CG 3.22Å; E318-R321 WeakPolarHBondContact O-CG 3.43Å; E318-R321 PolarHBondContact O-N 2.83Å
319S93.3Very high91.3Very high0 Ų027.7 Ų27.70%014%0.144CC..Hα-helixtrans-68.5-35.7178.567.50000112.3Y195 Y315 R321 A322Y195-S319 WeakPolarHBondContact CE1-OG 3.34Å; Y195-S319 PolarHBondContact OH-OG 3.3Å; Y315-S319 VanDerWaalsContact O-CB 3.3Å; Y315-S319 WeakPolarHBondContact O-CB 3.36Å; Y315-S319 PolarHBondContact O-N 2.8Å; Y315-S319 PolarHBondContact O-OG 3.01Å; S319-R321 PolarHBondContact O-N 3.36Å; S319-A322 VanDerWaalsContact O-CB 3.29Å; S319-A322 WeakPolarHBondContact O-CB 3.33Å; S319-A322 PolarHBondContact O-N 3.16Å
320G90.4Very high91.6Very high1 Ų128.7 Ų28.71%0.0115%0.151CC..THydrogen-bonded Turntrans-63.41.2175.700000115.1T3 R190 Y316 A322T3-G320 VanDerWaalsContact OG1-CA 3.3Å; T3-G320 WeakPolarHBondContact OG1-CA 3.42Å; T3-G320 PolarHBondContact OG1-O 3.21Å; R190-G320 PolarHBondContact NH1-O 3.2Å; Y316-G320 WeakPolarHBondContact O-CA 3.43Å; Y316-G320 PolarHBondContact O-N 3.11Å; G320-A322 VanDerWaalsContact C-N 3.32Å
321R89Confident92.2Very high18 Ų1821.9 Ų21.97%0.06812%0.121CC..THydrogen-bonded Turntrans-73.4-24.1167.1-62.4-180161.7-67.9-14.4112.6I235 Y237 G292 V295 V303 E318 S319I235-R321 HydrophobicContact CD1-CB 4.23Å; Y237-R321 VanDerWaalsContact OH-CD 3.24Å; Y237-R321 WeakPolarHBondContact OH-CD 3.42Å; G292-R321 VanDerWaalsContact O-CZ 3.24Å; G292-R321 PolarHBondContact O-NE 3.42Å; G292-R321 PolarHBondContact O-NH2 2.89Å; V295-R321 PolarHBondContact O-NH1 3.41Å; V303-R321 HydrophobicContact CG2-CB 4.16Å; E318-R321 VanDerWaalsContact O-CB 3.3Å; E318-R321 WeakPolarHBondContact O-CB 3.38Å; E318-R321 WeakPolarHBondContact O-CD 3.44Å; E318-R321 VanDerWaalsContact O-CG 3.22Å; E318-R321 WeakPolarHBondContact O-CG 3.43Å; E318-R321 PolarHBondContact O-N 2.83Å; S319-R321 PolarHBondContact O-N 3.36Å
322A93.5Very high92.7Very high0 Ų023.4 Ų23.40%013%0.126CC..SBendtrans-64153171.600000112.7R190 L193 V303 S319 G320 R324 A329R190-A322 PolarHBondContact NH2-O 3.24Å; L193-A322 HydrophobicContact CD2-CB 3.75Å; V303-A322 HydrophobicContact CG2-CB 4Å; S319-A322 VanDerWaalsContact O-CB 3.29Å; S319-A322 WeakPolarHBondContact O-CB 3.33Å; S319-A322 PolarHBondContact O-N 3.16Å; G320-A322 VanDerWaalsContact C-N 3.32Å; A322-R324 PolarHBondContact O-N 2.77Å; A322-A329 HydrophobicContact CB-CB 3.82Å
323G92.8Very high92.9Very high1 Ų123.1 Ų23.11%0.0113%0.125CC..  trans56.739.2162.800000115.8R190 N192 V300 D325 G326R190-G323 PolarHBondContact NH2-O 3.47Å; N192-G323 WeakPolarHBondContact ND2-CA 3.42Å; N192-G323 PolarHBondContact ND2-O 2.86Å; V300-G323 PolarHBondContact O-N 2.73Å; G323-D325 VanDerWaalsContact C-N 3.3Å; G323-G326 PolarHBondContact O-N 2.88Å; G323-G326 VanDerWaalsContact O-N 3.13Å
324R89.7Confident93.3Very high56 Ų5623 Ų2321%0.21112%0.124CC..THydrogen-bonded Turntrans-74.3-20.5-177.9-75.7-174.6178.7-155.23.2113.7D296 P298 A322 G326D296-R324 WeakPolarHBondContact OD1-CD 3.32Å; D296-R324 IonicContact OD1-CZ 3.82Å; D296-R324 IonicContact OD1-NE 2.77Å; D296-R324 IonicContact OD1-NH1 3.17Å; D296-R324 PolarHBondContact OD1-NH1 3.46Å; D296-R324 IonicContact OD2-NH1 2.74Å; D296-R324 PolarHBondContact OD2-NH1 3.41Å; P298-R324 PolarHBondContact O-N 3.22Å; A322-R324 PolarHBondContact O-N 2.77Å; R324-G326 PolarHBondContact O-N 3.15Å
325D91.2Very high93.6Very high60 Ų6022.6 Ų22.632%0.32112%0.121SC..THydrogen-bonded Turntrans-74.2-1165.653.715000114.2P298 R301 G323 L327P298-D325 HydrophobicContact CB-CB 4.15Å; P298-D325 VanDerWaalsContact O-CG 3.31Å; P298-D325 PolarHBondContact O-N 2.74Å; R301-D325 IonicContact CZ-OD1 2.85Å; R301-D325 IonicContact CZ-OD2 2.63Å; R301-D325 IonicContact NH1-OD1 2.74Å; R301-D325 IonicContact NH1-OD2 2.65Å; R301-D325 PolarHBondContact NH1-OD2 3.45Å; R301-D325 VanDerWaalsContact NH2-CG 3.29Å; R301-D325 IonicContact NH2-OD1 3.17Å; R301-D325 PolarHBondContact NH2-OD1 2.98Å; R301-D325 IonicContact NH2-OD2 3.12Å; R301-D325 PolarHBondContact NH2-OD2 3.15Å; R301-D325 VanDerWaalsContact NH2-OD2 3.08Å; G323-D325 VanDerWaalsContact C-N 3.3Å; D325-L327 HydrophobicContact CB-CG 4.41Å; D325-L327 PolarHBondContact O-N 2.87Å; D325-L327 WeakPolarHBondContact OD1-CB 3.5Å; D325-L327 PolarHBondContact OD1-N 2.76Å
326G90.8Very high93.6Very high43 Ų4324.5 Ų24.544%0.44313%0.129SC..SBendtrans75.7-1.6-175.600000114.6N192 G323 R324N192-G326 VanDerWaalsContact CB-O 3.23Å; N192-G326 WeakPolarHBondContact CB-O 3.36Å; G323-G326 PolarHBondContact O-N 2.88Å; G323-G326 VanDerWaalsContact O-N 3.13Å; R324-G326 PolarHBondContact O-N 3.15Å
327L94.3Very high93.4Very high107 Ų10725.8 Ų25.856%0.5614%0.135SC*.SBendtrans-77.2158.8173.9-58.3179.5000110.8N192 D325 A329N192-L327 PolarHBondContact ND2-O 3.2Å; D325-L327 HydrophobicContact CB-CG 4.41Å; D325-L327 PolarHBondContact O-N 2.87Å; D325-L327 WeakPolarHBondContact OD1-CB 3.5Å; D325-L327 PolarHBondContact OD1-N 2.76Å; L327-A329 PolarHBondContact O-N 3.25Å
328Q95.4Very high93.3Very high100 Ų10033.1 Ų33.147%0.46717%0.166SC..  trans-53.9137.1-179.3-169.761.552.400111.4N192 R301N192-Q328 CarbonylContact O-C 3.55Å; N192-Q328 WeakPolarHBondContact O-CA 3.36Å; N192-Q328 PolarHBondContact O-NE2 3.33Å; R301-Q328 PolarHBondContact NE-O 3.21Å
329A97.2Very high93.1Very high2 Ų233.5 Ų33.52%0.01717%0.168CC..EExtended strand (participates in β ladder)trans-148.7160.1174.600000111.5N192 L193 Y194 R301 A322 L327N192-A329 PolarHBondContact O-N 2.9Å; L193-A329 WeakPolarHBondContact CA-O 3.34Å; L193-A329 HydrophobicContact CD2-CB 4.02Å; Y194-A329 PolarHBondContact N-O 3.08Å; R301-A329 CarbonylContact O-C 3.52Å; R301-A329 WeakPolarHBondContact O-CA 3.15Å; R301-A329 VanDerWaalsContact O-CB 3.25Å; R301-A329 WeakPolarHBondContact O-CB 3.41Å; A322-A329 HydrophobicContact CB-CB 3.82Å; L327-A329 PolarHBondContact O-N 3.25Å
330S97.8Very high92.8Very high25 Ų2535.1 Ų35.118%0.17517%0.174CC..EExtended strand (participates in β ladder)trans-118135.9-171.8-58.90000112.3Y194 R301 F302 V303Y194-S330 CarbonylContact O-C 3.46Å; R301-S330 PolarHBondContact O-N 3.04Å; F302-S330 CarbonylContact C-O 3.55Å; F302-S330 WeakPolarHBondContact CA-O 3.37Å; F302-S330 WeakPolarHBondContact CB-O 3.24Å; V303-S330 PolarHBondContact N-O 2.88Å
331C98Very high92.6Very high0 Ų038.4 Ų38.40%019%0.192CC..EExtended strand (participates in β ladder)trans-125.395.6-176.5-66.70000109.7Y194 Y195 D196 V303 Y315Y194-C331 PolarHBondContact O-N 3.22Å; Y195-C331 WeakPolarHBondContact CA-O 3.41Å; Y195-C331 HydrophobicContact CD1-CB 3.38Å; Y195-C331 HydrophobicContact CD2-CB 4.35Å; Y195-C331 HydrophobicContact CE1-CB 3.3Å; Y195-C331 HydrophobicContact CE2-CB 4.31Å; Y195-C331 HydrophobicContact CG-CB 3.93Å; D196-C331 PolarHBondContact N-O 3.46Å; D196-C331 VanDerWaalsContact N-O 3.08Å; V303-C331 WeakPolarHBondContact O-CA 3.26Å; Y315-C331 PolarHBondContact OH-O 3.43Å
332R98.3Very high92.4Very high34 Ų3440 Ų4013%0.12820%0.203CC..EExtended strand (participates in β ladder)trans-107.6140.2-172.7-179.8166.1-74.7-172.50.1112.3D196 V198 D209 F213 V303 L304 H305 Y334D196-R332 WeakPolarHBondContact O-CA 3.4Å; D196-R332 WeakPolarHBondContact OD1-CA 3.31Å; D196-R332 WeakPolarHBondContact OD1-CB 3.12Å; D196-R332 WeakPolarHBondContact OD1-CG 3.3Å; D196-R332 IonicContact OD1-CZ 2.99Å; D196-R332 IonicContact OD1-NE 2.74Å; D196-R332 PolarHBondContact OD1-NE 3.33Å; D196-R332 IonicContact OD1-NH2 2.63Å; D196-R332 IonicContact OD2-CZ 3.56Å; D196-R332 IonicContact OD2-NE 3.68Å; D196-R332 PolarHBondContact OD2-NE 2.93Å; D196-R332 IonicContact OD2-NH2 3.02Å; D196-R332 PolarHBondContact OD2-NH2 3.23Å; V198-R332 HydrophobicContact CG2-CG 4.23Å; D209-R332 IonicContact OD1-NH1 2.74Å; D209-R332 PolarHBondContact OD1-NH1 3Å; F213-R332 HydrophobicContact CE1-CB 4.02Å; F213-R332 HydrophobicContact CE2-CB 3.85Å; F213-R332 HydrophobicContact CZ-CB 3.52Å; V303-R332 PolarHBondContact O-N 2.74Å; L304-R332 WeakPolarHBondContact CA-O 3.48Å; H305-R332 PolarHBondContact N-O 3.23Å; R332-Y334 VanDerWaalsContact CD-CZ 3.43Å; R332-Y334 WeakPolarHBondContact CD-OH 3.36Å; R332-Y334 HydrophobicContact CG-CD2 4.03Å; R332-Y334 HydrophobicContact CG-CE2 3.71Å; R332-Y334 PolarHBondContact NH1-OH 2.64Å
333I98Very high91.8Very high0 Ų040.6 Ų40.60%021%0.207CC..EExtended strand (participates in β ladder)trans-109.1126.5162.6-52-176.2000109.3D196 V198 H305 P309 Y315 M372 Y375 V376D196-I333 PolarHBondContact O-N 2.89Å; V198-I333 PolarHBondContact N-O 2.89Å; H305-I333 HydrophobicContact CB-CG1 4.3Å; H305-I333 HydrophobicContact CB-CG2 4.44Å; P309-I333 HydrophobicContact CG-CD1 4.44Å; Y315-I333 HydrophobicContact CD1-CD1 4.45Å; Y315-I333 HydrophobicContact CD2-CD1 4.15Å; Y315-I333 HydrophobicContact CD2-CG1 4.42Å; Y315-I333 HydrophobicContact CE1-CD1 4.04Å; Y315-I333 HydrophobicContact CE1-CG1 4.47Å; Y315-I333 HydrophobicContact CE2-CD1 3.7Å; Y315-I333 HydrophobicContact CE2-CG1 3.58Å; Y315-I333 HydrophobicContact CG-CD1 4.5Å; Y315-I333 WeakPolarHBondContact OH-CG1 3.25Å; I333-M372 HydrophobicContact CD1-CE 3.49Å; I333-M372 VanDerWaalsContact CD1-CE 3.49Å; I333-Y375 HydrophobicContact CD1-CD1 4.31Å; I333-Y375 HydrophobicContact CD1-CE1 3.85Å; I333-V376 HydrophobicContact CD1-CG2 4.16Å
334Y97.1Very high91.4Very high0 Ų042.1 Ų42.10%022%0.216CC..EExtended strand (participates in β ladder)trans-88.5122.8160.3-71.6-95000108.7V198 L203 I206 D209 V210 L304 H305 W306 R332V198-Y334 HydrophobicContact CB-CD1 4.04Å; V198-Y334 HydrophobicContact CB-CE1 4.03Å; V198-Y334 HydrophobicContact CG1-CD1 3.96Å; V198-Y334 HydrophobicContact CG1-CE1 3.81Å; V198-Y334 CarbonylContact O-C 3.53Å; V198-Y334 WeakPolarHBondContact O-CA 3.39Å; L203-Y334 HydrophobicContact CD1-CE1 4.22Å; I206-Y334 HydrophobicContact CD1-CD1 3.74Å; I206-Y334 HydrophobicContact CD1-CE1 4.38Å; I206-Y334 HydrophobicContact CG1-CD1 3.99Å; I206-Y334 HydrophobicContact CG1-CE1 4.12Å; D209-Y334 VanDerWaalsContact OD1-CE1 3.26Å; D209-Y334 WeakPolarHBondContact OD1-CE1 3.23Å; D209-Y334 VanDerWaalsContact OD1-CZ 3.3Å; D209-Y334 PolarHBondContact OD1-OH 3.44Å; V210-Y334 HydrophobicContact CG2-CD1 4.49Å; V210-Y334 HydrophobicContact CG2-CD2 4.39Å; V210-Y334 HydrophobicContact CG2-CE1 3.93Å; V210-Y334 HydrophobicContact CG2-CE2 3.81Å; L304-Y334 HydrophobicContact CD1-CD2 4.48Å; L304-Y334 HydrophobicContact CD1-CE2 3.83Å; L304-Y334 HydrophobicContact CD2-CD2 3.43Å; L304-Y334 VanDerWaalsContact CD2-CD2 3.43Å; L304-Y334 HydrophobicContact CD2-CE2 3.63Å; L304-Y334 HydrophobicContact CG-CD2 4Å; L304-Y334 HydrophobicContact CG-CE2 3.72Å; H305-Y334 PolarHBondContact O-N 3.09Å; W306-Y334 HydrophobicContact CE3-CD2 4.44Å; W306-Y334 HydrophobicContact CE3-CG 4.26Å; W306-Y334 HydrophobicContact CZ3-CG 4.37Å; R332-Y334 VanDerWaalsContact CD-CZ 3.43Å; R332-Y334 WeakPolarHBondContact CD-OH 3.36Å; R332-Y334 HydrophobicContact CG-CD2 4.03Å; R332-Y334 HydrophobicContact CG-CE2 3.71Å; R332-Y334 PolarHBondContact NH1-OH 2.64Å
335Y95.9Very high91.1Very high0 Ų045.7 Ų45.70%023%0.234CC..EExtended strand (participates in β ladder)trans-116126.7-172.9-172.6-120.5000111.5V198 F199 G200 L308 R340 V376 E377 F417V198-Y335 PolarHBondContact O-N 3.08Å; F199-Y335 CarbonylContact C-O 3.5Å; F199-Y335 AromaticContact CD1-CD1 3.81Å; F199-Y335 HydrophobicContact CD1-CD1 3.81Å; F199-Y335 AromaticContact CE1-CD1 3.86Å; F199-Y335 HydrophobicContact CE1-CD1 3.86Å; F199-Y335 HydrophobicContact CE1-CE1 4.37Å; G200-Y335 PolarHBondContact N-O 3.17Å; L308-Y335 HydrophobicContact CD1-CD2 3.98Å; L308-Y335 HydrophobicContact CD1-CE2 3.8Å; L308-Y335 HydrophobicContact CD2-CE2 4.14Å; L308-Y335 HydrophobicContact CG-CE2 4.46Å; Y335-R340 HydrophobicContact CE2-CB 3.88Å; Y335-R340 WeakPolarHBondContact OH-CB 3.38Å; Y335-R340 VanDerWaalsContact OH-CG 3.32Å; Y335-R340 WeakPolarHBondContact OH-CG 3.49Å; Y335-V376 HydrophobicContact CD1-CG1 3.49Å; Y335-V376 VanDerWaalsContact CD1-CG1 3.49Å; Y335-V376 HydrophobicContact CD2-CG1 3.7Å; Y335-V376 HydrophobicContact CE1-CG1 3.67Å; Y335-V376 HydrophobicContact CE2-CB 4.43Å; Y335-V376 HydrophobicContact CE2-CG1 3.87Å; Y335-V376 HydrophobicContact CG-CG1 3.47Å; Y335-V376 VanDerWaalsContact CG-CG1 3.47Å; Y335-E377 HydrophobicContact CE1-CG 3.84Å; Y335-E377 PolarHBondContact OH-OE1 3.08Å; Y335-F417 AromaticContact CD1-CE1 3.93Å; Y335-F417 HydrophobicContact CD1-CE1 3.93Å; Y335-F417 HydrophobicContact CD1-CE2 4.08Å; Y335-F417 AromaticContact CD1-CZ 3.53Å; Y335-F417 HydrophobicContact CD1-CZ 3.53Å; Y335-F417 HydrophobicContact CE1-CD1 4.49Å; Y335-F417 AromaticContact CE1-CE1 3.51Å; Y335-F417 HydrophobicContact CE1-CE1 3.51Å; Y335-F417 HydrophobicContact CE1-CE2 4.41Å; Y335-F417 AromaticContact CE1-CZ 3.44Å; Y335-F417 HydrophobicContact CE1-CZ 3.44Å; Y335-F417 VanDerWaalsContact CE1-CZ 3.44Å
336F93.2Very high90.6Very high39 Ų3947.1 Ų47.117%0.17124%0.241CC..  trans-123.9133.8-179.1-52-93000110.1D201 I206 W306 K338 E339 R340D201-F336 VanDerWaalsContact OD2-CA 3.3Å; D201-F336 WeakPolarHBondContact OD2-CA 3.35Å; I206-F336 HydrophobicContact CD1-CE1 3.4Å; I206-F336 VanDerWaalsContact CD1-CE1 3.4Å; I206-F336 HydrophobicContact CD1-CZ 3.32Å; W306-F336 HydrophobicContact CD2-CE2 4.42Å; W306-F336 HydrophobicContact CD2-CZ 4.47Å; W306-F336 HydrophobicContact CE3-CZ 4.35Å; W306-F336 AromaticContact CH2-CZ 3.84Å; W306-F336 HydrophobicContact CH2-CZ 3.84Å; W306-F336 AromaticContact CZ2-CZ 3.95Å; W306-F336 HydrophobicContact CZ2-CZ 3.95Å; W306-F336 HydrophobicContact CZ3-CZ 4.03Å; W306-F336 WeakPolarHBondContact O-CE2 3.46Å; F336-K338 PolarHBondContact O-N 2.82Å; F336-E339 HydrophobicContact CB-CB 3.89Å; F336-E339 PolarHBondContact O-N 3.11Å; F336-R340 PolarHBondContact O-N 3.49Å
337K87.1Confident90Very high32 Ų3246.3 Ų46.314%0.13923%0.227CC..Hα-helixtrans-58.6-50-179.9-175.4-173.9169-165.80111.7D201 E339 R340 D341 F417 E421D201-K337 PolarHBondContact OD2-N 2.8Å; K337-E339 PolarHBondContact O-N 3.06Å; K337-E339 VanDerWaalsContact O-N 3.12Å; K337-R340 PolarHBondContact O-N 3.23Å; K337-D341 WeakPolarHBondContact O-CB 3.35Å; K337-D341 PolarHBondContact O-N 3.01Å; K337-F417 HydrophobicContact CB-CE2 3.91Å; K337-F417 HydrophobicContact CB-CZ 3.66Å; K337-F417 HydrophobicContact CG-CZ 4.39Å; K337-E421 HydrophobicContact CD-CG 4.22Å; K337-E421 VanDerWaalsContact CE-CG 3.42Å; K337-E421 VanDerWaalsContact NZ-CG 3.25Å
338K86.4Confident89.2Confident168 Ų16844.9 Ų44.973%0.7322%0.22SC*.Hα-helixtrans-55.2-32.7176-179.9-176.5174.1-170.30112.2F336 T342F336-K338 PolarHBondContact O-N 2.82Å; K338-T342 WeakPolarHBondContact O-CB 3.28Å; K338-T342 PolarHBondContact O-N 3.41Å; K338-T342 PolarHBondContact O-OG1 2.86Å
339E86.1Confident88.2Confident17 Ų1744.8 Ų44.88%0.07922%0.219CC..Hα-helixtrans-82.1-41.1-177.5-145.7-111.415600111.6R239 T307 L308 F336 K337 D341 T342 V343R239-E339 IonicContact CZ-OE1 3.83Å; R239-E339 IonicContact NE-OE1 3.2Å; R239-E339 PolarHBondContact NE-OE1 2.96Å; R239-E339 VanDerWaalsContact NH2-CG 3.35Å; R239-E339 IonicContact NH2-OE1 3.53Å; R239-E339 PolarHBondContact NH2-OE1 3.23Å; T307-E339 VanDerWaalsContact CA-OE2 3.26Å; T307-E339 WeakPolarHBondContact CA-OE2 3.14Å; T307-E339 VanDerWaalsContact CB-OE1 3.24Å; T307-E339 WeakPolarHBondContact CB-OE1 3.27Å; T307-E339 WeakPolarHBondContact CG2-OE1 3.47Å; L308-E339 PolarHBondContact N-OE2 2.82Å; F336-E339 HydrophobicContact CB-CB 3.89Å; F336-E339 PolarHBondContact O-N 3.11Å; K337-E339 PolarHBondContact O-N 3.06Å; K337-E339 VanDerWaalsContact O-N 3.12Å; E339-D341 PolarHBondContact O-N 3.12Å; E339-T342 WeakPolarHBondContact O-CB 3.33Å; E339-T342 PolarHBondContact O-N 3.21Å; E339-V343 WeakPolarHBondContact O-CG2 3.07Å; E339-V343 PolarHBondContact O-N 3.15Å
340R86.7Confident86.5Confident34 Ų3451.3 Ų51.313%0.12825%0.25CC..Hα-helixtrans-53-52.4164.6169.5-106.9-87.5169.1-10.2110.9Y335 F336 K337 T342 V343 V344 V373 E377 E421Y335-R340 HydrophobicContact CE2-CB 3.88Å; Y335-R340 WeakPolarHBondContact OH-CB 3.38Å; Y335-R340 VanDerWaalsContact OH-CG 3.32Å; Y335-R340 WeakPolarHBondContact OH-CG 3.49Å; F336-R340 PolarHBondContact O-N 3.49Å; K337-R340 PolarHBondContact O-N 3.23Å; R340-T342 PolarHBondContact O-N 2.91Å; R340-V343 PolarHBondContact O-N 2.86Å; R340-V344 HydrophobicContact CG-CG2 4.13Å; R340-V344 WeakPolarHBondContact O-CB 3.36Å; R340-V344 WeakPolarHBondContact O-CG2 3.48Å; R340-V344 PolarHBondContact O-N 2.75Å; R340-V373 HydrophobicContact CG-CG2 4.26Å; R340-E377 IonicContact CZ-OE1 2.71Å; R340-E377 IonicContact NE-OE1 3.32Å; R340-E377 PolarHBondContact NE-OE1 2.88Å; R340-E377 IonicContact NH2-OE1 2.72Å; R340-E377 PolarHBondContact NH2-OE1 3.45Å; R340-E421 IonicContact CZ-OE1 3.18Å; R340-E421 IonicContact NH1-OE1 2.68Å; R340-E421 PolarHBondContact NH1-OE1 3.28Å; R340-E421 IonicContact NH2-OE1 3.96Å; R340-E421 PolarHBondContact NH2-OE1 3.03Å
341D86.4Confident84.8Confident70 Ų7051.6 Ų51.637%0.37425%0.251SS..Hα-helixtrans-58.5-39.3-179.3-62.9-24.3000110.8K337 E339 F345K337-D341 WeakPolarHBondContact O-CB 3.35Å; K337-D341 PolarHBondContact O-N 3.01Å; E339-D341 PolarHBondContact O-N 3.12Å; D341-F345 WeakPolarHBondContact O-CB 3.26Å; D341-F345 PolarHBondContact O-N 3.49Å
342T84.1Confident82.8Confident51 Ų5157.7 Ų57.731%0.31328%0.284SS..Hα-helixtrans-67-46.1175.7-590000112.6K338 E339 R340 L346K338-T342 WeakPolarHBondContact O-CB 3.28Å; K338-T342 PolarHBondContact O-N 3.41Å; K338-T342 PolarHBondContact O-OG1 2.86Å; E339-T342 WeakPolarHBondContact O-CB 3.33Å; E339-T342 PolarHBondContact O-N 3.21Å; R340-T342 PolarHBondContact O-N 2.91Å; T342-L346 HydrophobicContact CG2-CD1 3.96Å; T342-L346 WeakPolarHBondContact O-CB 3.21Å; T342-L346 VanDerWaalsContact O-CG 3.25Å; T342-L346 WeakPolarHBondContact O-CG 3.24Å; T342-L346 PolarHBondContact O-N 3.16Å
343V82.3Confident80.9Confident13 Ų1359.5 Ų59.58%0.07930%0.301CS..Hα-helixtrans-71.6-40.7-177.6177.30000111.1E339 R340 L346 T347 I369E339-V343 WeakPolarHBondContact O-CG2 3.07Å; E339-V343 PolarHBondContact O-N 3.15Å; R340-V343 PolarHBondContact O-N 2.86Å; V343-L346 PolarHBondContact O-N 3.24Å; V343-T347 WeakPolarHBondContact O-CB 3.34Å; V343-T347 PolarHBondContact O-N 3.42Å; V343-T347 PolarHBondContact O-OG1 2.99Å; V343-T347 VanDerWaalsContact O-OG1 3.08Å; V343-I369 HydrophobicContact CG1-CD1 3.57Å; V343-I369 HydrophobicContact CG1-CG1 4.03Å
344V83.8Confident78.8Confident34 Ų3462.7 Ų62.721%0.20634%0.335CS..Hα-helixtrans-63.5-43.9173.8172.60000110.7R340 L346 T347 N348 V373R340-V344 HydrophobicContact CG-CG2 4.13Å; R340-V344 WeakPolarHBondContact O-CB 3.36Å; R340-V344 WeakPolarHBondContact O-CG2 3.48Å; R340-V344 PolarHBondContact O-N 2.75Å; V344-L346 PolarHBondContact O-N 3.25Å; V344-T347 PolarHBondContact O-N 3.43Å; V344-N348 WeakPolarHBondContact O-CB 3.38Å; V344-N348 VanDerWaalsContact O-CG 3.31Å; V344-N348 PolarHBondContact O-N 3.27Å; V344-V373 HydrophobicContact CG2-CG2 4.41Å
345F83.7Confident77Confident131 Ų13165.4 Ų65.458%0.57535%0.354SS*.Hα-helixtrans-59.3-46.6174.1174.6-111.1000112.4D341 T347 N348 Q349D341-F345 WeakPolarHBondContact O-CB 3.26Å; D341-F345 PolarHBondContact O-N 3.49Å; F345-T347 VanDerWaalsContact C-N 3.31Å; F345-T347 PolarHBondContact O-N 2.89Å; F345-N348 PolarHBondContact O-N 2.84Å; F345-Q349 PolarHBondContact O-N 2.86Å; F345-Q349 VanDerWaalsContact O-N 3.16Å
346L80.1Confident75.3Confident90 Ų9073 Ų7347%0.47139%0.389SS..Hα-helixtrans-65.5-30.9177.8-72.6169.8000113.2T342 V343 V344T342-L346 HydrophobicContact CG2-CD1 3.96Å; T342-L346 WeakPolarHBondContact O-CB 3.21Å; T342-L346 VanDerWaalsContact O-CG 3.25Å; T342-L346 WeakPolarHBondContact O-CG 3.24Å; T342-L346 PolarHBondContact O-N 3.16Å; V343-L346 PolarHBondContact O-N 3.24Å; V344-L346 PolarHBondContact O-N 3.25Å
347T78.5Confident73.7Confident25 Ų2575.5 Ų75.515%0.15340%0.4CS..Hα-helixtrans-78.5-27.4174.9-63.40000112.7V343 V344 F345 R365 K366 I369V343-T347 WeakPolarHBondContact O-CB 3.34Å; V343-T347 PolarHBondContact O-N 3.42Å; V343-T347 PolarHBondContact O-OG1 2.99Å; V343-T347 VanDerWaalsContact O-OG1 3.08Å; V344-T347 PolarHBondContact O-N 3.43Å; F345-T347 VanDerWaalsContact C-N 3.31Å; F345-T347 PolarHBondContact O-N 2.89Å; T347-R365 HydrophobicContact CG2-CB 3.72Å; T347-K366 HydrophobicContact CG2-CG 4.08Å; T347-I369 HydrophobicContact CG2-CB 4.44Å; T347-I369 HydrophobicContact CG2-CG2 3.73Å
348N77.4Confident72.4Confident77 Ų7775.5 Ų75.541%0.41240%0.404SS..Hα-helixtrans-84.9-9.2177.5-74.6-15.3000114V344 F345 E350 K366V344-N348 WeakPolarHBondContact O-CB 3.38Å; V344-N348 VanDerWaalsContact O-CG 3.31Å; V344-N348 PolarHBondContact O-N 3.27Å; F345-N348 PolarHBondContact O-N 2.84Å; N348-E350 PolarHBondContact O-N 3.17Å; N348-K366 WeakPolarHBondContact OD1-CE 3.35Å
349Q73.9Confident71.3Confident98 Ų9871.3 Ų71.346%0.45839%0.389SS..PPolyproline II helixtrans-62.9120.9173.6-78.9178.921.600110.9F345F345-Q349 PolarHBondContact O-N 2.86Å; F345-Q349 VanDerWaalsContact O-N 3.16Å
350E62.6Low70.3Confident140 Ų14075.3 Ų75.365%0.65441%0.411SS*.PPolyproline II helixtrans-71.3143176.7-58.5-159.5146.400111.1N348 N352N348-E350 PolarHBondContact O-N 3.17Å; E350-N352 PolarHBondContact O-N 3.36Å
351P61.3Low69.5Low30 Ų3075 Ų7520%0.19541%0.412CS..PPolyproline II helixtrans-70.5128.6179.628.5-32.6000110.1S353 S358 L359P351-S353 CarbonylContact O-C 3.44Å; P351-S353 PolarHBondContact O-N 2.93Å; P351-S358 WeakPolarHBondContact CB-OG 3.28Å; P351-S358 WeakPolarHBondContact CG-OG 3.24Å; P351-L359 HydrophobicContact CG-CD2 4.5Å
352N56.3Low68.9Low129 Ų12972.1 Ų72.169%0.6940%0.397SS*.SBendtrans-57-14.1176.9-64.2-52.9000114.4E350 R473E350-N352 PolarHBondContact O-N 3.36Å; N352-R473 VanDerWaalsContact OD1-CZ 3.26Å; N352-R473 PolarHBondContact OD1-NH1 2.97Å; N352-R473 PolarHBondContact OD1-NH2 2.93Å
353S57.9Low68.5Low71 Ų7174.6 Ų74.650%0.49741%0.405SS..SBendtrans-102.7100.2172.256.30000110P351 S355P351-S353 CarbonylContact O-C 3.44Å; P351-S353 PolarHBondContact O-N 2.93Å; S353-S355 PolarHBondContact O-N 3.27Å; S353-S355 PolarHBondContact O-OG 3.46Å
354G54.1Low68.1Low68 Ų6874.6 Ų74.670%0.70141%0.405SS*.  trans-6419.8-177.600000117.2
355S59.6Low67.9Low57 Ų5779.8 Ų79.840%0.39942%0.421SS..  trans-62.4133.6170.360.20000111.5S353 K357 S358 L359S353-S355 PolarHBondContact O-N 3.27Å; S353-S355 PolarHBondContact O-OG 3.46Å; S355-K357 PolarHBondContact O-N 2.78Å; S355-K357 VanDerWaalsContact O-N 3.17Å; S355-S358 WeakPolarHBondContact O-CB 3.32Å; S355-S358 PolarHBondContact O-N 3.25Å; S355-S358 WeakPolarHBondContact OG-CB 3.49Å; S355-L359 PolarHBondContact O-N 3.31Å
356Q60Low68Low159 Ų15975.8 Ų75.874%0.74340%0.403SS*.Hα-helixtrans-52.6-38.8178.9-69.3176.4-17.300113.2S358 L359 N360Q356-S358 PolarHBondContact O-N 2.92Å; Q356-L359 PolarHBondContact O-N 3.41Å; Q356-L359 VanDerWaalsContact O-N 3.15Å; Q356-N360 PolarHBondContact O-N 2.86Å
357K59.7Low68.3Low92 Ų9275.8 Ų75.840%0.440%0.403SS..Hα-helixtrans-52.3-38.1174.1-69175.2177.8173.80112.5S355 N361 W754 S756S355-K357 PolarHBondContact O-N 2.78Å; S355-K357 VanDerWaalsContact O-N 3.17Å; K357-N361 PolarHBondContact O-N 2.98Å; K357-N361 PolarHBondContact O-ND2 3.35Å; K357-W754 PolarHBondContact NZ-O 3.11Å; K357-S756 PolarHBondContact NZ-OG 3.08Å
358S60.1Low68.7Low32 Ų3276.1 Ų76.122%0.22440%0.404CS..Hα-helixtrans-78.6-37.1-179.8-144.50000112.5P351 S355 Q356 N361 T362P351-S358 WeakPolarHBondContact CB-OG 3.28Å; P351-S358 WeakPolarHBondContact CG-OG 3.24Å; S355-S358 WeakPolarHBondContact O-CB 3.32Å; S355-S358 PolarHBondContact O-N 3.25Å; S355-S358 WeakPolarHBondContact OG-CB 3.49Å; Q356-S358 PolarHBondContact O-N 2.92Å; S358-N361 PolarHBondContact O-N 2.91Å; S358-T362 PolarHBondContact O-N 3.37Å; S358-T362 PolarHBondContact O-OG1 2.93Å
359L62.4Low69.2Low80 Ų8072.5 Ų72.542%0.41939%0.385SS..Hα-helixtrans-61.1-47.7173.1-66.5173.9000111.5P351 S355 Q356 N361 T362 Q363P351-L359 HydrophobicContact CG-CD2 4.5Å; S355-L359 PolarHBondContact O-N 3.31Å; Q356-L359 PolarHBondContact O-N 3.41Å; Q356-L359 VanDerWaalsContact O-N 3.15Å; L359-N361 PolarHBondContact O-N 2.81Å; L359-T362 PolarHBondContact O-N 2.89Å; L359-T362 VanDerWaalsContact O-N 3.16Å; L359-Q363 PolarHBondContact O-N 2.8Å
360N66.4Low70.1Confident100 Ų10072.4 Ų72.454%0.53539%0.387SS..Hα-helixtrans-56.3-49.4175.4-73-9.1000111.2Q356 T362 Q363 C364Q356-N360 PolarHBondContact O-N 2.86Å; N360-T362 VanDerWaalsContact C-N 3.29Å; N360-T362 PolarHBondContact O-N 3.45Å; N360-Q363 WeakPolarHBondContact O-CA 3.19Å; N360-Q363 WeakPolarHBondContact O-CB 3.38Å; N360-Q363 PolarHBondContact O-N 2.95Å; N360-C364 PolarHBondContact O-N 2.86Å; N360-C364 PolarHBondContact O-SG 3.02Å
361N69.4Low71.5Confident28 Ų2867 Ų6715%0.1537%0.366CS..Hα-helixtrans-60.3-34.4178-91.7-94.3000113.6E117 K357 S358 L359 R365E117-N361 PolarHBondContact OE2-ND2 2.83Å; K357-N361 PolarHBondContact O-N 2.98Å; K357-N361 PolarHBondContact O-ND2 3.35Å; S358-N361 PolarHBondContact O-N 2.91Å; L359-N361 PolarHBondContact O-N 2.81Å; N361-R365 WeakPolarHBondContact O-CD 3.33Å; N361-R365 VanDerWaalsContact O-CG 3.3Å; N361-R365 WeakPolarHBondContact O-CG 3.24Å; N361-R365 PolarHBondContact O-N 3.32Å
362T72.5Confident73.1Confident10 Ų1065.6 Ų65.66%0.06136%0.357CS..Hα-helixtrans-69.6-39.7172.5-69.10000111.5S358 L359 N360 R365 K366S358-T362 PolarHBondContact O-N 3.37Å; S358-T362 PolarHBondContact O-OG1 2.93Å; L359-T362 PolarHBondContact O-N 2.89Å; L359-T362 VanDerWaalsContact O-N 3.16Å; N360-T362 VanDerWaalsContact C-N 3.29Å; N360-T362 PolarHBondContact O-N 3.45Å; T362-R365 PolarHBondContact O-N 3.44Å; T362-K366 HydrophobicContact CG2-CD 4.32Å; T362-K366 WeakPolarHBondContact O-CG 3.41Å; T362-K366 PolarHBondContact O-N 3.26Å
363Q76.5Confident74.9Confident103 Ų10360.6 Ų60.648%0.48133%0.331SS..Hα-helixtrans-65.9-36.8175.7-164.270-13.600112.5L359 N360 R365 K366 I367L359-Q363 PolarHBondContact O-N 2.8Å; N360-Q363 WeakPolarHBondContact O-CA 3.19Å; N360-Q363 WeakPolarHBondContact O-CB 3.38Å; N360-Q363 PolarHBondContact O-N 2.95Å; Q363-R365 VanDerWaalsContact C-N 3.33Å; Q363-R365 PolarHBondContact O-N 3.18Å; Q363-K366 PolarHBondContact O-N 2.84Å; Q363-K366 VanDerWaalsContact OE1-CD 3.29Å; Q363-I367 HydrophobicContact CG-CD1 4.48Å; Q363-I367 WeakPolarHBondContact O-CG1 3.5Å; Q363-I367 PolarHBondContact O-N 2.86Å; Q363-I367 VanDerWaalsContact O-N 3.09Å
364C74.7Confident76.6Confident13 Ų1363.7 Ų63.79%0.08834%0.336CS..Hα-helixtrans-52.7-52.1169.7-55.70000110.8W118 N360 K366 I367 D368W118-C364 VanDerWaalsContact CE2-SG 3.6Å; W118-C364 HydrophobicContact CE3-CB 4.07Å; W118-C364 HydrophobicContact CH2-CB 4.28Å; W118-C364 WeakPolarHBondContact CH2-SG 3.25Å; W118-C364 WeakPolarHBondContact CZ2-SG 3.41Å; W118-C364 HydrophobicContact CZ3-CB 3.94Å; W118-C364 VanDerWaalsContact CZ3-SG 3.55Å; N360-C364 PolarHBondContact O-N 2.86Å; N360-C364 PolarHBondContact O-SG 3.02Å; C364-K366 PolarHBondContact O-N 2.86Å; C364-I367 PolarHBondContact O-N 3.47Å; C364-D368 PolarHBondContact O-N 2.9Å
365R79Confident78.7Confident143 Ų14360.5 Ų60.554%0.5430%0.303SS..Hα-helixtrans-66.1-37.2-177.2-63.8164.5-168.4171.26.2112.2T347 N361 T362 Q363 D368 I369T347-R365 HydrophobicContact CG2-CB 3.72Å; N361-R365 WeakPolarHBondContact O-CD 3.33Å; N361-R365 VanDerWaalsContact O-CG 3.3Å; N361-R365 WeakPolarHBondContact O-CG 3.24Å; N361-R365 PolarHBondContact O-N 3.32Å; T362-R365 PolarHBondContact O-N 3.44Å; Q363-R365 VanDerWaalsContact C-N 3.33Å; Q363-R365 PolarHBondContact O-N 3.18Å; R365-D368 PolarHBondContact O-N 2.78Å; R365-I369 WeakPolarHBondContact O-CG2 3.47Å; R365-I369 PolarHBondContact O-N 2.93Å
366K84.6Confident80.4Confident46 Ų4657.8 Ų57.820%0.228%0.284CS..Hα-helixtrans-59.2-45.1173.4-75.9172.9174.1176.80111.4T347 N348 T362 Q363 C364 I369 N370T347-K366 HydrophobicContact CG2-CG 4.08Å; N348-K366 WeakPolarHBondContact OD1-CE 3.35Å; T362-K366 HydrophobicContact CG2-CD 4.32Å; T362-K366 WeakPolarHBondContact O-CG 3.41Å; T362-K366 PolarHBondContact O-N 3.26Å; Q363-K366 PolarHBondContact O-N 2.84Å; Q363-K366 VanDerWaalsContact OE1-CD 3.29Å; C364-K366 PolarHBondContact O-N 2.86Å; K366-I369 WeakPolarHBondContact O-CG2 3.49Å; K366-N370 VanDerWaalsContact O-CB 3.23Å; K366-N370 WeakPolarHBondContact O-CB 3.35Å; K366-N370 PolarHBondContact O-N 3.4Å; K366-N370 PolarHBondContact O-ND2 2.63Å
367I86.7Confident82.1Confident91 Ų9151.2 Ų51.247%0.46725%0.253SS..Hα-helixtrans-63.5-47.2176.3-66.7161.9000110.7W118 Q363 C364 N370 A371W118-I367 HydrophobicContact CZ3-CD1 4.1Å; Q363-I367 HydrophobicContact CG-CD1 4.48Å; Q363-I367 WeakPolarHBondContact O-CG1 3.5Å; Q363-I367 PolarHBondContact O-N 2.86Å; Q363-I367 VanDerWaalsContact O-N 3.09Å; C364-I367 PolarHBondContact O-N 3.47Å; I367-N370 PolarHBondContact O-N 2.74Å; I367-A371 PolarHBondContact O-N 2.83Å
368D87.2Confident83.7Confident32 Ų3248.2 Ų48.217%0.17124%0.242CC..Hα-helixtrans-66.4-40.1-176.2-118.27.9000113S311 C364 R365 M372 Y389S311-D368 WeakPolarHBondContact CB-OD2 3.31Å; S311-D368 PolarHBondContact OG-OD2 2.99Å; S311-D368 VanDerWaalsContact OG-OD2 3.11Å; C364-D368 PolarHBondContact O-N 2.9Å; R365-D368 PolarHBondContact O-N 2.78Å; D368-M372 PolarHBondContact O-N 3.46Å; D368-M372 VanDerWaalsContact O-N 3.11Å; D368-Y389 PolarHBondContact OD1-OH 3.46Å
369I89.2Confident85.3Confident1 Ų148 Ų481%0.00524%0.242CC..Hα-helixtrans-72.2-36.3175.2-162.762.1000111.7L308 V343 T347 R365 K366 A371 M372 V373L308-I369 HydrophobicContact CD2-CD1 3.87Å; L308-I369 HydrophobicContact CG-CD1 4.45Å; V343-I369 HydrophobicContact CG1-CD1 3.57Å; V343-I369 HydrophobicContact CG1-CG1 4.03Å; T347-I369 HydrophobicContact CG2-CB 4.44Å; T347-I369 HydrophobicContact CG2-CG2 3.73Å; R365-I369 WeakPolarHBondContact O-CG2 3.47Å; R365-I369 PolarHBondContact O-N 2.93Å; K366-I369 WeakPolarHBondContact O-CG2 3.49Å; I369-A371 VanDerWaalsContact C-N 3.33Å; I369-A371 PolarHBondContact O-N 3.35Å; I369-M372 HydrophobicContact CD1-CB 4.42Å; I369-M372 PolarHBondContact O-N 3.24Å; I369-M372 VanDerWaalsContact O-N 3.16Å; I369-V373 HydrophobicContact CG1-CG2 4.46Å; I369-V373 WeakPolarHBondContact O-CG2 3.39Å; I369-V373 PolarHBondContact O-N 2.9Å
370N91.7Very high86.9Confident96 Ų9648.6 Ų48.651%0.51325%0.246SC..Hα-helixtrans-66-36.7176.4-73.6-12.8000111.3K366 I367 K374K366-N370 VanDerWaalsContact O-CB 3.23Å; K366-N370 WeakPolarHBondContact O-CB 3.35Å; K366-N370 PolarHBondContact O-N 3.4Å; K366-N370 PolarHBondContact O-ND2 2.63Å; I367-N370 PolarHBondContact O-N 2.74Å; N370-K374 VanDerWaalsContact O-CB 3.26Å; N370-K374 WeakPolarHBondContact O-CB 3.43Å; N370-K374 PolarHBondContact O-N 2.88Å
371A92.9Very high88.4Confident26 Ų2644.2 Ų44.222%0.21522%0.223CC..Hα-helixtrans-63.1-41.8170.500000112.1I367 I369 K374 Y375 Y389I367-A371 PolarHBondContact O-N 2.83Å; I369-A371 VanDerWaalsContact C-N 3.33Å; I369-A371 PolarHBondContact O-N 3.35Å; A371-K374 PolarHBondContact O-N 2.91Å; A371-Y375 PolarHBondContact O-N 3.12Å; A371-Y389 HydrophobicContact CB-CD2 4.32Å; A371-Y389 HydrophobicContact CB-CE2 4.12Å
372M94.4Very high89.7Confident0 Ų042.9 Ų42.90%022%0.216CC..Hα-helixtrans-68-41177.3-167.465.7-127.500112.7L308 P309 L312 Y315 I333 D368 I369 Y375 V376L308-M372 HydrophobicContact CD1-CE 4.48Å; L308-M372 HydrophobicContact CD1-CG 3.96Å; L308-M372 HydrophobicContact CG-CG 4.28Å; P309-M372 HydrophobicContact CB-CG 4.29Å; P309-M372 HydrophobicContact CB-SD 3.96Å; P309-M372 HydrophobicContact CG-CE 4.05Å; P309-M372 HydrophobicContact CG-SD 4.08Å; L312-M372 HydrophobicContact CB-SD 4.25Å; L312-M372 HydrophobicContact CD1-SD 4.18Å; Y315-M372 HydrophobicContact CD1-CE 4.24Å; Y315-M372 HydrophobicContact CG-CE 4.23Å; Y315-M372 HydrophobicContact CG-SD 4.45Å; I333-M372 HydrophobicContact CD1-CE 3.49Å; I333-M372 VanDerWaalsContact CD1-CE 3.49Å; D368-M372 PolarHBondContact O-N 3.46Å; D368-M372 VanDerWaalsContact O-N 3.11Å; I369-M372 HydrophobicContact CD1-CB 4.42Å; I369-M372 PolarHBondContact O-N 3.24Å; I369-M372 VanDerWaalsContact O-N 3.16Å; M372-Y375 HydrophobicContact CE-CD1 3.45Å; M372-Y375 VanDerWaalsContact CE-CD1 3.45Å; M372-Y375 HydrophobicContact CE-CE1 4.03Å; M372-Y375 HydrophobicContact CE-CG 4.14Å; M372-Y375 WeakPolarHBondContact O-CB 3.27Å; M372-Y375 PolarHBondContact O-N 3.28Å; M372-V376 HydrophobicContact CE-CG2 4.03Å; M372-V376 WeakPolarHBondContact O-CG2 3.36Å; M372-V376 PolarHBondContact O-N 3.12Å
373V93.7Very high90.7Very high25 Ų2543 Ų4315%0.15222%0.216CC..Hα-helixtrans-63.9-42.5173.21710000110.3L308 R340 V344 I369 Y375 V376 E377L308-V373 HydrophobicContact CD2-CG2 4.02Å; R340-V373 HydrophobicContact CG-CG2 4.26Å; V344-V373 HydrophobicContact CG2-CG2 4.41Å; I369-V373 HydrophobicContact CG1-CG2 4.46Å; I369-V373 WeakPolarHBondContact O-CG2 3.39Å; I369-V373 PolarHBondContact O-N 2.9Å; V373-Y375 VanDerWaalsContact C-N 3.35Å; V373-Y375 PolarHBondContact O-N 3.19Å; V373-V376 PolarHBondContact O-N 3.13Å; V373-V376 VanDerWaalsContact O-N 3.16Å; V373-E377 HydrophobicContact CG1-CG 4.41Å; V373-E377 WeakPolarHBondContact O-CB 3.21Å; V373-E377 PolarHBondContact O-N 3.48Å
374K94.9Very high91.6Very high136 Ų13642 Ų4259%0.59121%0.211SC*.Hα-helixtrans-61.5-39.1175.3-175.5176.9-179.9177.60112.7N370 A371 V376 T378N370-K374 VanDerWaalsContact O-CB 3.26Å; N370-K374 WeakPolarHBondContact O-CB 3.43Å; N370-K374 PolarHBondContact O-N 2.88Å; A371-K374 PolarHBondContact O-N 2.91Å; K374-V376 VanDerWaalsContact C-N 3.26Å; K374-V376 PolarHBondContact O-N 3.36Å; K374-T378 HydrophobicContact CG-CG2 4.04Å; K374-T378 WeakPolarHBondContact O-CB 3.14Å; K374-T378 WeakPolarHBondContact O-CG2 3.48Å; K374-T378 PolarHBondContact O-N 2.83Å; K374-T378 PolarHBondContact O-OG1 3.47Å
375Y96.6Very high92.6Very high1 Ų142.4 Ų42.40%0.00421%0.212CC..Hα-helixtrans-58.2-38.5174.5169.1-85.3000112.3V197 L312 Y315 I333 A371 M372 V373 R382 Q385 M386V197-Y375 HydrophobicContact CG2-CE1 4.43Å; L312-Y375 HydrophobicContact CD1-CD2 3.7Å; L312-Y375 HydrophobicContact CD1-CE2 4.12Å; L312-Y375 HydrophobicContact CD1-CG 3.94Å; L312-Y375 HydrophobicContact CD2-CD2 4.29Å; Y315-Y375 HydrophobicContact CD1-CE1 4.37Å; Y315-Y375 AromaticContact CE1-CE1 3.91Å; Y315-Y375 HydrophobicContact CE1-CE1 3.91Å; Y315-Y375 AromaticContact CE1-CZ 3.78Å; Y315-Y375 WeakPolarHBondContact CE1-OH 3.12Å; I333-Y375 HydrophobicContact CD1-CD1 4.31Å; I333-Y375 HydrophobicContact CD1-CE1 3.85Å; A371-Y375 PolarHBondContact O-N 3.12Å; M372-Y375 HydrophobicContact CE-CD1 3.45Å; M372-Y375 VanDerWaalsContact CE-CD1 3.45Å; M372-Y375 HydrophobicContact CE-CE1 4.03Å; M372-Y375 HydrophobicContact CE-CG 4.14Å; M372-Y375 WeakPolarHBondContact O-CB 3.27Å; M372-Y375 PolarHBondContact O-N 3.28Å; V373-Y375 VanDerWaalsContact C-N 3.35Å; V373-Y375 PolarHBondContact O-N 3.19Å; Y375-R382 HydrophobicContact CE2-CB 3.96Å; Y375-R382 PolarHBondContact O-NH1 2.85Å; Y375-Q385 HydrophobicContact CD2-CB 3.97Å; Y375-Q385 PolarHBondContact O-NE2 2.95Å; Y375-M386 HydrophobicContact CE2-CE 3.77Å; Y375-M386 HydrophobicContact CE2-CG 4.25Å
376V96Very high93.3Very high0 Ų035.7 Ų35.70%019%0.187CC..Hα-helixtrans-81.2-54-179.51760000111.9V197 L308 I333 Y335 M372 V373 K374 T378 R382V197-V376 HydrophobicContact CG1-CG1 3.76Å; L308-V376 HydrophobicContact CD1-CG2 3.93Å; I333-V376 HydrophobicContact CD1-CG2 4.16Å; Y335-V376 HydrophobicContact CD1-CG1 3.49Å; Y335-V376 VanDerWaalsContact CD1-CG1 3.49Å; Y335-V376 HydrophobicContact CD2-CG1 3.7Å; Y335-V376 HydrophobicContact CE1-CG1 3.67Å; Y335-V376 HydrophobicContact CE2-CB 4.43Å; Y335-V376 HydrophobicContact CE2-CG1 3.87Å; Y335-V376 HydrophobicContact CG-CG1 3.47Å; Y335-V376 VanDerWaalsContact CG-CG1 3.47Å; M372-V376 HydrophobicContact CE-CG2 4.03Å; M372-V376 WeakPolarHBondContact O-CG2 3.36Å; M372-V376 PolarHBondContact O-N 3.12Å; V373-V376 PolarHBondContact O-N 3.13Å; V373-V376 VanDerWaalsContact O-N 3.16Å; K374-V376 VanDerWaalsContact C-N 3.26Å; K374-V376 PolarHBondContact O-N 3.36Å; V376-T378 PolarHBondContact O-N 2.95Å; V376-T378 VanDerWaalsContact O-N 3.11Å; V376-R382 PolarHBondContact O-NH1 3.07Å
377E94.8Very high93.6Very high21 Ų2133.7 Ų33.710%0.09818%0.179CC..SBendtrans-8224.2-173.3-80.3-148.2-147.100114.3Y335 R340 V373 L414 R418Y335-E377 HydrophobicContact CE1-CG 3.84Å; Y335-E377 PolarHBondContact OH-OE1 3.08Å; R340-E377 IonicContact CZ-OE1 2.71Å; R340-E377 IonicContact NE-OE1 3.32Å; R340-E377 PolarHBondContact NE-OE1 2.88Å; R340-E377 IonicContact NH2-OE1 2.72Å; R340-E377 PolarHBondContact NH2-OE1 3.45Å; V373-E377 HydrophobicContact CG1-CG 4.41Å; V373-E377 WeakPolarHBondContact O-CB 3.21Å; V373-E377 PolarHBondContact O-N 3.48Å; E377-L414 HydrophobicContact CB-CD1 4.19Å; E377-L414 HydrophobicContact CG-CD1 4.22Å; E377-L414 WeakPolarHBondContact O-CD2 3.39Å; E377-R418 PolarHBondContact O-NH2 3.11Å; E377-R418 IonicContact OE2-CZ 3.74Å; E377-R418 IonicContact OE2-NE 2.71Å; E377-R418 PolarHBondContact OE2-NE 3.08Å; E377-R418 IonicContact OE2-NH2 3.46Å; E377-R418 PolarHBondContact OE2-NH2 2.99Å
378T94.3Very high93.9Very high28 Ų2834.7 Ų34.717%0.17218%0.184CC..SBendtrans-126.2154.7168.9580000111.2K374 V376 N380 R382 Q385K374-T378 HydrophobicContact CG-CG2 4.04Å; K374-T378 WeakPolarHBondContact O-CB 3.14Å; K374-T378 WeakPolarHBondContact O-CG2 3.48Å; K374-T378 PolarHBondContact O-N 2.83Å; K374-T378 PolarHBondContact O-OG1 3.47Å; V376-T378 PolarHBondContact O-N 2.95Å; V376-T378 VanDerWaalsContact O-N 3.11Å; T378-N380 VanDerWaalsContact C-N 3.29Å; T378-R382 PolarHBondContact O-NH1 3.41Å; T378-Q385 PolarHBondContact OG1-NE2 2.9Å; T378-Q385 PolarHBondContact OG1-OE1 2.72Å; T378-Q385 VanDerWaalsContact OG1-OE1 3.14Å
379A94.4Very high94.2Very high27 Ų2735.3 Ų35.322%0.22318%0.184CC..  trans-97.139.117200000111.2V403 V410 S411A379-V403 WeakPolarHBondContact O-CG1 3.39Å; A379-V410 HydrophobicContact CB-CG1 4.2Å; A379-S411 WeakPolarHBondContact CB-OG 3.49Å
380N95.2Very high94.2Very high94 Ų9435.5 Ų35.550%0.50319%0.185SC..SBendtrans-100.2144.8178-68.717.6000110T378 R382 Q385T378-N380 VanDerWaalsContact C-N 3.29Å; N380-R382 PolarHBondContact O-N 3.05Å; N380-Q385 HydrophobicContact CB-CG 3.93Å; N380-Q385 PolarHBondContact O-NE2 3.3Å
381C97.1Very high94.1Very high8 Ų838.5 Ų38.55%0.05419%0.193CC..  trans-47.7121.6-178.7170.50000112H383 Q384 Q385 C397C381-H383 VanDerWaalsContact C-N 3.33Å; C381-H383 PolarHBondContact O-N 3.14Å; C381-Q384 HydrophobicContact CB-CB 3.95Å; C381-Q384 HydrophobicContact CB-CG 3.99Å; C381-Q384 VanDerWaalsContact CB-OE1 3.27Å; C381-Q384 PolarHBondContact O-N 3.18Å; C381-Q385 WeakPolarHBondContact O-CG 3.3Å; C381-Q385 PolarHBondContact O-N 2.66Å; C381-C397 WeakPolarHBondContact SG-CB 3.43Å; C381-C397 PolarHBondContact SG-SG 3.48Å
382R96.7Very high93.9Very high0 Ų038.3 Ų38.30%019%0.189CC..Hα-helixtrans-58.2-43.8-173.6-55.3-56179-167.8-3.7112.2Y375 V376 T378 N380 Q385 M386 C401 D402Y375-R382 HydrophobicContact CE2-CB 3.96Å; Y375-R382 PolarHBondContact O-NH1 2.85Å; V376-R382 PolarHBondContact O-NH1 3.07Å; T378-R382 PolarHBondContact O-NH1 3.41Å; N380-R382 PolarHBondContact O-N 3.05Å; R382-Q385 PolarHBondContact O-N 2.61Å; R382-M386 PolarHBondContact O-N 2.97Å; R382-C401 HydrophobicContact CB-CB 3.81Å; R382-C401 HydrophobicContact CG-CB 3.73Å; R382-C401 PolarHBondContact N-SG 3.34Å; R382-D402 VanDerWaalsContact CG-OD1 3.31Å; R382-D402 WeakPolarHBondContact CG-OD1 3.4Å; R382-D402 IonicContact CZ-OD1 2.95Å; R382-D402 IonicContact CZ-OD2 2.76Å; R382-D402 IonicContact NE-OD1 2.92Å; R382-D402 PolarHBondContact NE-OD1 3.06Å; R382-D402 IonicContact NE-OD2 3.73Å; R382-D402 PolarHBondContact NE-OD2 3.44Å; R382-D402 IonicContact NH2-OD1 3.6Å; R382-D402 PolarHBondContact NH2-OD1 3.12Å; R382-D402 IonicContact NH2-OD2 2.8Å; R382-D402 PolarHBondContact NH2-OD2 3.27Å
383H95.2Very high93.4Very high12 Ų1245.5 Ų45.56%0.05622%0.222CC..Hα-helixtrans-65.7-43.5177.4-76.4120.3000113.2F189 L193 Y195 C381 Q385 M386 G387 C397 H400F189-H383 HydrophobicContact CD2-CB 3.95Å; F189-H383 AromaticContact CD2-CD2 3.61Å; F189-H383 AromaticContact CD2-CG 3.65Å; F189-H383 AromaticContact CD2-NE2 4Å; F189-H383 HydrophobicContact CE2-CB 4.26Å; F189-H383 AromaticContact CE2-CE1 3.89Å; F189-H383 AromaticContact CE2-CG 3.78Å; F189-H383 AromaticContact CE2-ND1 3.72Å; L193-H383 PolarHBondContact O-CE1 3.47Å; Y195-H383 AromaticContact CD2-CD2 3.99Å; Y195-H383 AromaticContact CD2-CE1 3.65Å; Y195-H383 AromaticContact CD2-NE2 3.31Å; Y195-H383 VanDerWaalsContact CD2-NE2 3.31Å; Y195-H383 WeakPolarHBondContact CD2-NE2 3.25Å; Y195-H383 AromaticContact CE2-NE2 3.47Å; Y195-H383 WeakPolarHBondContact CE2-NE2 3.33Å; C381-H383 VanDerWaalsContact C-N 3.33Å; C381-H383 PolarHBondContact O-N 3.14Å; H383-Q385 VanDerWaalsContact C-N 3.31Å; H383-Q385 PolarHBondContact O-N 2.84Å; H383-M386 PolarHBondContact O-N 3.49Å; H383-G387 PolarHBondContact O-N 3.36Å; H383-C397 HydrophobicContact CB-CB 4.32Å; H383-C397 PolarHBondContact ND1-SG 2.94Å; H383-H400 PolarHBondContact CE1-O 3.41Å; H383-H400 VanDerWaalsContact CE1-O 3.23Å; H383-H400 PolarHBondContact ND1-O 3.01Å
384Q94.5Very high92.9Very high81 Ų8148.5 Ų48.538%0.37924%0.235SC..Hα-helixtrans-62.8-38.9176.4-71.6175.6-23.600111.4C381 M386 G387 I388 Q394C381-Q384 HydrophobicContact CB-CB 3.95Å; C381-Q384 HydrophobicContact CB-CG 3.99Å; C381-Q384 VanDerWaalsContact CB-OE1 3.27Å; C381-Q384 PolarHBondContact O-N 3.18Å; Q384-M386 VanDerWaalsContact C-N 3.31Å; Q384-M386 PolarHBondContact O-N 3.07Å; Q384-G387 PolarHBondContact O-N 3.09Å; Q384-I388 WeakPolarHBondContact O-CB 3.41Å; Q384-I388 VanDerWaalsContact O-CG1 3.25Å; Q384-I388 WeakPolarHBondContact O-CG1 3.45Å; Q384-I388 PolarHBondContact O-N 2.8Å; Q384-Q394 PolarHBondContact O-OE1 3.22Å
385Q95.1Very high92.4Very high22 Ų2243.5 Ų43.510%0.10322%0.219CC..Hα-helixtrans-60.9-38.1175.2-68.4-16481.800112.7Y375 T378 N380 C381 R382 H383 Y389Y375-Q385 HydrophobicContact CD2-CB 3.97Å; Y375-Q385 PolarHBondContact O-NE2 2.95Å; T378-Q385 PolarHBondContact OG1-NE2 2.9Å; T378-Q385 PolarHBondContact OG1-OE1 2.72Å; T378-Q385 VanDerWaalsContact OG1-OE1 3.14Å; N380-Q385 HydrophobicContact CB-CG 3.93Å; N380-Q385 PolarHBondContact O-NE2 3.3Å; C381-Q385 WeakPolarHBondContact O-CG 3.3Å; C381-Q385 PolarHBondContact O-N 2.66Å; R382-Q385 PolarHBondContact O-N 2.61Å; H383-Q385 VanDerWaalsContact C-N 3.31Å; H383-Q385 PolarHBondContact O-N 2.84Å; Q385-Y389 WeakPolarHBondContact O-CB 3.49Å; Q385-Y389 PolarHBondContact O-N 3.45Å; Q385-Y389 VanDerWaalsContact O-N 3.16Å
386M93.3Very high92.1Very high3 Ų348.9 Ų48.92%0.01525%0.254CS..Hα-helixtrans-67-45.5171.6-64.2-176.5-177.200112V188 Y195 L312 Y315 Y316 Y375 R382 H383 Q384 I388 Y389 F390V188-M386 HydrophobicContact CG2-CB 4.38Å; Y195-M386 HydrophobicContact CD1-CE 3.8Å; Y195-M386 HydrophobicContact CE1-CE 3.45Å; Y195-M386 VanDerWaalsContact CE1-CE 3.45Å; Y195-M386 HydrophobicContact CE1-SD 4.49Å; Y195-M386 HydrophobicContact CE2-CE 4.43Å; Y195-M386 HydrophobicContact CG-CE 4.43Å; L312-M386 HydrophobicContact CD1-CE 4.37Å; L312-M386 HydrophobicContact CD1-CG 4.18Å; Y315-M386 HydrophobicContact CD1-CE 3.67Å; Y315-M386 HydrophobicContact CE1-CE 3.48Å; Y315-M386 VanDerWaalsContact CE1-CE 3.48Å; Y316-M386 HydrophobicContact CD2-SD 3.91Å; Y375-M386 HydrophobicContact CE2-CE 3.77Å; Y375-M386 HydrophobicContact CE2-CG 4.25Å; R382-M386 PolarHBondContact O-N 2.97Å; H383-M386 PolarHBondContact O-N 3.49Å; Q384-M386 VanDerWaalsContact C-N 3.31Å; Q384-M386 PolarHBondContact O-N 3.07Å; M386-I388 VanDerWaalsContact C-N 3.33Å; M386-I388 PolarHBondContact O-N 3.35Å; M386-Y389 PolarHBondContact O-N 2.98Å; M386-F390 VanDerWaalsContact O-CD2 3.28Å; M386-F390 WeakPolarHBondContact O-CD2 3.26Å; M386-F390 PolarHBondContact O-N 2.87Å
387G92.6Very high92Very high3 Ų349.1 Ų49.13%0.03126%0.255CS..Hα-helixtrans-58.4-44.4177.800000112.2H383 Q384 Y389 F390 K391 D392 Q394H383-G387 PolarHBondContact O-N 3.36Å; Q384-G387 PolarHBondContact O-N 3.09Å; G387-Y389 PolarHBondContact O-N 3.48Å; G387-F390 CarbonylContact O-C 3.59Å; G387-F390 PolarHBondContact O-N 2.63Å; G387-K391 WeakPolarHBondContact O-CA 3.26Å; G387-K391 PolarHBondContact O-N 3.21Å; G387-D392 PolarHBondContact O-N 3.35Å; G387-Q394 VanDerWaalsContact C-NE2 3.27Å
388I93.2Very high91.8Very high113 Ų11350.4 Ų50.458%0.57927%0.274SS*.Hα-helixtrans-60.4-46.1176-69.1163000110.9Q384 M386 F390 K391Q384-I388 WeakPolarHBondContact O-CB 3.41Å; Q384-I388 VanDerWaalsContact O-CG1 3.25Å; Q384-I388 WeakPolarHBondContact O-CG1 3.45Å; Q384-I388 PolarHBondContact O-N 2.8Å; M386-I388 VanDerWaalsContact C-N 3.33Å; M386-I388 PolarHBondContact O-N 3.35Å; I388-F390 VanDerWaalsContact C-N 3.34Å; I388-F390 PolarHBondContact O-N 2.65Å; I388-K391 PolarHBondContact O-N 3.04Å; I388-K391 VanDerWaalsContact O-N 3.13Å
389Y91.9Very high91.8Very high45 Ų4554.7 Ų54.718%0.17630%0.296CS..Hα-helixtrans-61.7-37.9179.6178.8-94.1000112.9T150 L312 A313 D368 A371 Q385 M386 G387T150-Y389 HydrophobicContact CG2-CD1 4.12Å; T150-Y389 HydrophobicContact CG2-CE1 3.57Å; L312-Y389 HydrophobicContact CB-CD1 4.3Å; L312-Y389 HydrophobicContact CB-CD2 4.25Å; L312-Y389 HydrophobicContact CB-CE1 4.19Å; L312-Y389 HydrophobicContact CB-CE2 4.14Å; L312-Y389 HydrophobicContact CB-CG 4.33Å; L312-Y389 HydrophobicContact CD2-CD1 4.3Å; L312-Y389 HydrophobicContact CD2-CD2 4.07Å; L312-Y389 HydrophobicContact CD2-CG 3.8Å; L312-Y389 HydrophobicContact CG-CD1 4.27Å; L312-Y389 HydrophobicContact CG-CG 4.25Å; A313-Y389 HydrophobicContact CB-CE1 3.97Å; D368-Y389 PolarHBondContact OD1-OH 3.46Å; A371-Y389 HydrophobicContact CB-CD2 4.32Å; A371-Y389 HydrophobicContact CB-CE2 4.12Å; Q385-Y389 WeakPolarHBondContact O-CB 3.49Å; Q385-Y389 PolarHBondContact O-N 3.45Å; Q385-Y389 VanDerWaalsContact O-N 3.16Å; M386-Y389 PolarHBondContact O-N 2.98Å; G387-Y389 PolarHBondContact O-N 3.48Å
390F90.1Very high91.9Very high4 Ų456 Ų562%0.01830%0.297CS..THydrogen-bonded Turntrans-90.68.3176.2-66.6-66.9000114.5T150 K185 V188 A313 Y316 M386 G387 I388 D392T150-F390 HydrophobicContact CG2-CD1 4.11Å; T150-F390 HydrophobicContact CG2-CE1 4.18Å; K185-F390 PolarHBondContact NZ-O 2.85Å; V188-F390 HydrophobicContact CB-CD2 4.31Å; V188-F390 HydrophobicContact CG1-CB 3.91Å; V188-F390 HydrophobicContact CG1-CD2 3.73Å; V188-F390 HydrophobicContact CG1-CE2 4.48Å; V188-F390 HydrophobicContact CG1-CG 3.97Å; V188-F390 HydrophobicContact CG2-CD2 4.38Å; A313-F390 HydrophobicContact CB-CZ 4.5Å; Y316-F390 AromaticContact CD1-CE2 3.92Å; Y316-F390 HydrophobicContact CD1-CE2 3.92Å; Y316-F390 AromaticContact CD1-CZ 3.93Å; Y316-F390 HydrophobicContact CD1-CZ 3.93Å; Y316-F390 HydrophobicContact CD2-CE2 4.29Å; Y316-F390 AromaticContact CG-CE2 3.79Å; Y316-F390 HydrophobicContact CG-CE2 3.79Å; Y316-F390 HydrophobicContact CG-CZ 4.11Å; M386-F390 VanDerWaalsContact O-CD2 3.28Å; M386-F390 WeakPolarHBondContact O-CD2 3.26Å; M386-F390 PolarHBondContact O-N 2.87Å; G387-F390 CarbonylContact O-C 3.59Å; G387-F390 PolarHBondContact O-N 2.63Å; I388-F390 VanDerWaalsContact C-N 3.34Å; I388-F390 PolarHBondContact O-N 2.65Å; F390-D392 VanDerWaalsContact C-N 3.31Å; F390-D392 PolarHBondContact O-N 3.27Å
391K90.4Very high92Very high160 Ų16051.5 Ų51.570%0.69627%0.274SS*.THydrogen-bonded Turntrans40.657.5-169.4-63.2-165.6-167.1171.90112.1P151 K185 G387 I388P151-K391 HydrophobicContact CG-CB 3.94Å; P151-K391 HydrophobicContact CG-CD 3.58Å; P151-K391 HydrophobicContact CG-CG 3.69Å; K185-K391 PolarHBondContact NZ-O 3.28Å; G387-K391 WeakPolarHBondContact O-CA 3.26Å; G387-K391 PolarHBondContact O-N 3.21Å; I388-K391 PolarHBondContact O-N 3.04Å; I388-K391 VanDerWaalsContact O-N 3.13Å
392D87.4Confident92.1Very high21 Ų2151.2 Ų51.211%0.11227%0.271CS..  trans-110159.5-176.6-163.852.4000111.5K185 S187 V188 G387 F390 Q394K185-D392 VanDerWaalsContact CE-OD1 3.24Å; K185-D392 WeakPolarHBondContact CE-OD1 3.47Å; K185-D392 IonicContact NZ-OD1 3.13Å; S187-D392 WeakPolarHBondContact CA-OD2 3.3Å; S187-D392 VanDerWaalsContact CB-OD2 3.29Å; S187-D392 WeakPolarHBondContact CB-OD2 3.42Å; S187-D392 PolarHBondContact OG-OD2 3.14Å; V188-D392 HydrophobicContact CG1-CB 4.44Å; V188-D392 HydrophobicContact CG2-CB 4.18Å; V188-D392 PolarHBondContact N-OD2 3.46Å; G387-D392 PolarHBondContact O-N 3.35Å; F390-D392 VanDerWaalsContact C-N 3.31Å; F390-D392 PolarHBondContact O-N 3.27Å; D392-Q394 PolarHBondContact O-NE2 2.94Å
393E83.5Confident92.1Very high152 Ų15251.8 Ų51.871%0.7128%0.275SS*.  trans-62136.7179.4-66.8-173.1171.500111.7A395E393-A395 VanDerWaalsContact C-N 3.31Å; E393-A395 PolarHBondContact O-N 2.86Å
394Q84.2Confident92.2Very high88 Ų8853.7 Ų53.741%0.41129%0.289SS..  trans-84.871.7-171-63-59.4-63.100111.7Q384 G387 D392Q384-Q394 PolarHBondContact O-OE1 3.22Å; G387-Q394 VanDerWaalsContact C-NE2 3.27Å; D392-Q394 PolarHBondContact O-NE2 2.94Å
395A84.3Confident92.3Very high31 Ų3153.5 Ų53.526%0.25629%0.293SS..  trans-55.3139.6174.500000111.9F189 E393 C397F189-A395 HydrophobicContact CB-CB 4Å; F189-A395 HydrophobicContact CD1-CB 3.6Å; F189-A395 HydrophobicContact CE1-CB 4.25Å; F189-A395 HydrophobicContact CG-CB 3.87Å; E393-A395 VanDerWaalsContact C-N 3.31Å; E393-A395 PolarHBondContact O-N 2.86Å; A395-C397 PolarHBondContact O-N 3.12Å
396P90.1Very high92.3Very high113 Ų11355.8 Ų55.873%0.73431%0.306SS*.  trans-68.2118.4179.727.3-33.8000110.7G398P396-G398 PolarHBondContact O-N 2.7Å; P396-G398 VanDerWaalsContact O-N 3.14Å
397C93.2Very high92.4Very high5 Ų557.8 Ų57.83%0.03432%0.323CS..  trans-67.1-13.7-174.6-176.30000114.6C381 H383 A395 N399 H400 C401C381-C397 WeakPolarHBondContact SG-CB 3.43Å; C381-C397 PolarHBondContact SG-SG 3.48Å; H383-C397 HydrophobicContact CB-CB 4.32Å; H383-C397 PolarHBondContact ND1-SG 2.94Å; A395-C397 PolarHBondContact O-N 3.12Å; C397-N399 PolarHBondContact O-N 3.04Å; C397-H400 VanDerWaalsContact O-CB 3.3Å; C397-H400 WeakPolarHBondContact O-CB 3.41Å; C397-H400 PolarHBondContact O-CD2 2.74Å; C397-H400 PolarHBondContact O-N 2.74Å; C397-C401 VanDerWaalsContact SG-SG 3.61Å
398G92.2Very high92.4Very high48 Ų4861.7 Ų61.750%0.49535%0.35SS..THydrogen-bonded Turntrans48.8-128.9-172.400000111.1P396 C404P396-G398 PolarHBondContact O-N 2.7Å; P396-G398 VanDerWaalsContact O-N 3.14Å; G398-C404 WeakPolarHBondContact O-CB 3.41Å
399N93.9Very high92.5Very high118 Ų11861.9 Ų61.963%0.63134%0.343SS*.THydrogen-bonded Turntrans-98.419.3176.7-69.4-14.7000113.7C397 C401 V405C397-N399 PolarHBondContact O-N 3.04Å; N399-C401 VanDerWaalsContact C-N 3.29Å; N399-C401 PolarHBondContact O-N 3.33Å; N399-V405 HydrophobicContact CB-CG2 4.02Å; N399-V405 VanDerWaalsContact O-CG2 3.25Å; N399-V405 WeakPolarHBondContact O-CG2 3.47Å
400H95.9Very high92.7Very high55 Ų5560 Ų6026%0.25534%0.336SS..SBendtrans-84.116.7-171.8-55.6-66.1000115.2P191 Y194 Y195 H383 C397P191-H400 PolarHBondContact O-CE1 3.23Å; P191-H400 PolarHBondContact O-ND1 2.97Å; Y194-H400 WeakPolarHBondContact CA-O 3.45Å; Y195-H400 PolarHBondContact N-O 3.48Å; H383-H400 PolarHBondContact CE1-O 3.41Å; H383-H400 VanDerWaalsContact CE1-O 3.23Å; H383-H400 PolarHBondContact ND1-O 3.01Å; C397-H400 VanDerWaalsContact O-CB 3.3Å; C397-H400 WeakPolarHBondContact O-CB 3.41Å; C397-H400 PolarHBondContact O-CD2 2.74Å; C397-H400 PolarHBondContact O-N 2.74Å
401C97.9Very high92.8Very high0 Ų062.5 Ų62.50%035%0.354CS..BIsolated β-bridgetrans-155.1161.1165.771.60000113.6Y195 R382 C397 N399 V403 C404 V405Y195-C401 CarbonylContact O-C 3.47Å; Y195-C401 WeakPolarHBondContact O-CA 3.29Å; Y195-C401 VanDerWaalsContact O-CB 3.24Å; Y195-C401 WeakPolarHBondContact O-CB 3.4Å; R382-C401 HydrophobicContact CB-CB 3.81Å; R382-C401 HydrophobicContact CG-CB 3.73Å; R382-C401 PolarHBondContact N-SG 3.34Å; C397-C401 VanDerWaalsContact SG-SG 3.61Å; N399-C401 VanDerWaalsContact C-N 3.29Å; N399-C401 PolarHBondContact O-N 3.33Å; C401-V403 VanDerWaalsContact C-N 3.3Å; C401-V403 PolarHBondContact O-N 3.46Å; C401-C404 PolarHBondContact O-N 2.76Å; C401-C404 VanDerWaalsContact O-N 3.09Å; C401-V405 WeakPolarHBondContact O-CG2 3.24Å; C401-V405 PolarHBondContact O-N 2.82Å
402D97.7Very high92.9Very high2 Ų256.3 Ų56.31%0.01133%0.33CS..Hα-helixtrans-51.9-40.7-179.262.3-20.1000115.1Y194 Y195 D196 V197 R382 N406 V410Y194-D402 WeakPolarHBondContact OH-CA 3.18Å; Y194-D402 PolarHBondContact OH-N 2.69Å; Y195-D402 PolarHBondContact O-N 3.39Å; D196-D402 HydrophobicContact CB-CB 3.62Å; V197-D402 PolarHBondContact N-OD2 3.25Å; R382-D402 VanDerWaalsContact CG-OD1 3.31Å; R382-D402 WeakPolarHBondContact CG-OD1 3.4Å; R382-D402 IonicContact CZ-OD1 2.95Å; R382-D402 IonicContact CZ-OD2 2.76Å; R382-D402 IonicContact NE-OD1 2.92Å; R382-D402 PolarHBondContact NE-OD1 3.06Å; R382-D402 IonicContact NE-OD2 3.73Å; R382-D402 PolarHBondContact NE-OD2 3.44Å; R382-D402 IonicContact NH2-OD1 3.6Å; R382-D402 PolarHBondContact NH2-OD1 3.12Å; R382-D402 IonicContact NH2-OD2 2.8Å; R382-D402 PolarHBondContact NH2-OD2 3.27Å; D402-N406 CarbonylContact O-C 3.51Å; D402-N406 PolarHBondContact O-N 3.16Å; D402-V410 HydrophobicContact CB-CG2 3.95Å
403V97.2Very high93.2Very high12 Ų1257.9 Ų57.97%0.07334%0.338CS..Hα-helixtrans-66.9-44.7177.81690000111.1A379 C401 N406 A407 V410A379-V403 WeakPolarHBondContact O-CG1 3.39Å; C401-V403 VanDerWaalsContact C-N 3.3Å; C401-V403 PolarHBondContact O-N 3.46Å; V403-N406 CarbonylContact O-C 3.59Å; V403-N406 PolarHBondContact O-N 2.87Å; V403-A407 HydrophobicContact CG1-CB 4.27Å; V403-A407 WeakPolarHBondContact O-CA 3.44Å; V403-A407 WeakPolarHBondContact O-CB 3.47Å; V403-A407 PolarHBondContact O-N 3.44Å; V403-V410 HydrophobicContact CG2-CB 4.2Å; V403-V410 HydrophobicContact CG2-CG1 3.88Å; V403-V410 HydrophobicContact CG2-CG2 4.06Å
404C97.2Very high93.6Very high51 Ų5151.2 Ų51.235%0.34531%0.307SS..Hα-helixtrans-72.5-31.4-179.4-64.80000112.2G398 C401G398-C404 WeakPolarHBondContact O-CB 3.41Å; C401-C404 PolarHBondContact O-N 2.76Å; C401-C404 VanDerWaalsContact O-N 3.09Å
405V97Very high93.9Very high77 Ų7749.4 Ų49.447%0.46731%0.308SS..Hα-helixtrans-70.5-44.9172.21740000111.8Y194 N399 C401Y194-V405 HydrophobicContact CE2-CG2 3.98Å; N399-V405 HydrophobicContact CB-CG2 4.02Å; N399-V405 VanDerWaalsContact O-CG2 3.25Å; N399-V405 WeakPolarHBondContact O-CG2 3.47Å; C401-V405 WeakPolarHBondContact O-CG2 3.24Å; C401-V405 PolarHBondContact O-N 2.82Å
406N95.6Very high94.1Very high71 Ų7148.7 Ų48.738%0.3830%0.299SS..Hα-helixtrans-15880.6179.6-163.6-33.7000113.4D402 V403 S408 R409 V410D402-N406 CarbonylContact O-C 3.51Å; D402-N406 PolarHBondContact O-N 3.16Å; V403-N406 CarbonylContact O-C 3.59Å; V403-N406 PolarHBondContact O-N 2.87Å; N406-S408 PolarHBondContact O-N 3.29Å; N406-S408 PolarHBondContact OD1-N 3.41Å; N406-R409 HydrophobicContact CB-CB 3.98Å; N406-R409 PolarHBondContact O-N 3.49Å; N406-R409 VanDerWaalsContact O-N 3.15Å; N406-R409 WeakPolarHBondContact OD1-CB 3.34Å; N406-R409 PolarHBondContact OD1-N 2.81Å; N406-V410 PolarHBondContact O-N 3.01Å; N406-V410 VanDerWaalsContact O-N 3.15Å
407A94.6Very high94Very high44 Ų4443.3 Ų43.336%0.36426%0.264SS..Hα-helixtrans-57.2-31.4176.700000113.4V403 V410 S411V403-A407 HydrophobicContact CG1-CB 4.27Å; V403-A407 WeakPolarHBondContact O-CA 3.44Å; V403-A407 WeakPolarHBondContact O-CB 3.47Å; V403-A407 PolarHBondContact O-N 3.44Å; A407-V410 PolarHBondContact O-N 3.17Å; A407-S411 VanDerWaalsContact O-CB 3.27Å; A407-S411 WeakPolarHBondContact O-CB 3.45Å; A407-S411 PolarHBondContact O-N 2.93Å; A407-S411 PolarHBondContact O-OG 2.96Å
408S94Very high93.7Very high85 Ų8548.2 Ų48.259%0.59428%0.282SS*.Hα-helixtrans-66.7-43.1177.3-178.20000111.9N406 T412N406-S408 PolarHBondContact O-N 3.29Å; N406-S408 PolarHBondContact OD1-N 3.41Å; S408-T412 VanDerWaalsContact O-CB 3.22Å; S408-T412 WeakPolarHBondContact O-CB 3.26Å; S408-T412 PolarHBondContact O-N 3.42Å; S408-T412 PolarHBondContact O-OG1 3.42Å
409R94.3Very high93.2Very high118 Ų11847.1 Ų47.145%0.44527%0.269SS..Hα-helixtrans-62.2-46173.4-174-176.271.5138.62.9111.3N406 T412 N413N406-R409 HydrophobicContact CB-CB 3.98Å; N406-R409 PolarHBondContact O-N 3.49Å; N406-R409 VanDerWaalsContact O-N 3.15Å; N406-R409 WeakPolarHBondContact OD1-CB 3.34Å; N406-R409 PolarHBondContact OD1-N 2.81Å; R409-T412 PolarHBondContact O-N 2.98Å; R409-N413 WeakPolarHBondContact O-CB 3.23Å; R409-N413 VanDerWaalsContact O-CG 3.28Å; R409-N413 PolarHBondContact O-N 3.17Å; R409-N413 PolarHBondContact O-OD1 2.91Å
410V95.2Very high92.5Very high6 Ų642.4 Ų42.44%0.03624%0.243CC..Hα-helixtrans-63.9-46.8178.7179.20000111.1A379 D402 V403 N406 A407 T412 N413 L414A379-V410 HydrophobicContact CB-CG1 4.2Å; D402-V410 HydrophobicContact CB-CG2 3.95Å; V403-V410 HydrophobicContact CG2-CB 4.2Å; V403-V410 HydrophobicContact CG2-CG1 3.88Å; V403-V410 HydrophobicContact CG2-CG2 4.06Å; N406-V410 PolarHBondContact O-N 3.01Å; N406-V410 VanDerWaalsContact O-N 3.15Å; A407-V410 PolarHBondContact O-N 3.17Å; V410-T412 VanDerWaalsContact C-N 3.33Å; V410-T412 PolarHBondContact O-N 2.94Å; V410-N413 PolarHBondContact O-N 2.95Å; V410-L414 WeakPolarHBondContact O-CB 3.47Å; V410-L414 PolarHBondContact O-N 3.3Å
411S93.8Very high90.6Very high55 Ų5542.8 Ų42.839%0.38525%0.245SC..Hα-helixtrans-61.8-40.1177.8-570000112.1A379 A407 L414 A415A379-S411 WeakPolarHBondContact CB-OG 3.49Å; A407-S411 VanDerWaalsContact O-CB 3.27Å; A407-S411 WeakPolarHBondContact O-CB 3.45Å; A407-S411 PolarHBondContact O-N 2.93Å; A407-S411 PolarHBondContact O-OG 2.96Å; S411-L414 PolarHBondContact O-N 3.41Å; S411-A415 WeakPolarHBondContact O-CB 3.21Å; S411-A415 PolarHBondContact O-N 3.1Å
412T92.4Very high88.2Confident30 Ų3050.5 Ų50.518%0.18428%0.279CS..Hα-helixtrans-61.6-46.2174.1-65.40000111.7S408 R409 V410 A415 L416 R577S408-T412 VanDerWaalsContact O-CB 3.22Å; S408-T412 WeakPolarHBondContact O-CB 3.26Å; S408-T412 PolarHBondContact O-N 3.42Å; S408-T412 PolarHBondContact O-OG1 3.42Å; R409-T412 PolarHBondContact O-N 2.98Å; V410-T412 VanDerWaalsContact C-N 3.33Å; V410-T412 PolarHBondContact O-N 2.94Å; T412-A415 PolarHBondContact O-N 2.97Å; T412-L416 HydrophobicContact CG2-CD1 4.11Å; T412-L416 WeakPolarHBondContact O-CB 3.16Å; T412-L416 WeakPolarHBondContact O-CG 3.24Å; T412-L416 PolarHBondContact O-N 2.76Å; T412-R577 VanDerWaalsContact CG2-NH2 3.31Å
413N92.5Very high85.7Confident54 Ų5451.9 Ų51.929%0.28929%0.287SS..Hα-helixtrans-67.9-39.2179.4-71.1-1.8000111.6F199 L202 R409 V410 L416 F417F199-N413 HydrophobicContact CD2-CB 3.82Å; F199-N413 HydrophobicContact CE2-CB 4.08Å; L202-N413 HydrophobicContact CD1-CB 4.33Å; L202-N413 VanDerWaalsContact CD1-O 3.25Å; L202-N413 WeakPolarHBondContact CD1-O 3.48Å; R409-N413 WeakPolarHBondContact O-CB 3.23Å; R409-N413 VanDerWaalsContact O-CG 3.28Å; R409-N413 PolarHBondContact O-N 3.17Å; R409-N413 PolarHBondContact O-OD1 2.91Å; V410-N413 PolarHBondContact O-N 2.95Å; N413-L416 PolarHBondContact O-N 2.81Å; N413-F417 WeakPolarHBondContact O-CB 3.41Å; N413-F417 PolarHBondContact O-N 3.13Å
414L92.3Very high83.1Confident12 Ų1254.8 Ų54.86%0.06331%0.306CS..Hα-helixtrans-63.1-41.2173.8179.360.1000112F199 E377 V410 S411 F417 R418F199-L414 HydrophobicContact CE1-CD1 4.09Å; F199-L414 HydrophobicContact CE2-CB 4.47Å; F199-L414 HydrophobicContact CZ-CB 4.13Å; F199-L414 HydrophobicContact CZ-CD1 3.91Å; E377-L414 HydrophobicContact CB-CD1 4.19Å; E377-L414 HydrophobicContact CG-CD1 4.22Å; E377-L414 WeakPolarHBondContact O-CD2 3.39Å; V410-L414 WeakPolarHBondContact O-CB 3.47Å; V410-L414 PolarHBondContact O-N 3.3Å; S411-L414 PolarHBondContact O-N 3.41Å; L414-F417 PolarHBondContact O-N 3.36Å; L414-R418 WeakPolarHBondContact O-CG 3.5Å; L414-R418 PolarHBondContact O-N 3.4Å
415A89.9Confident80.6Confident51 Ų5159.5 Ų59.542%0.42132%0.32SS..Hα-helixtrans-65.7-42174.900000112.3S411 T412 R418 A419S411-A415 WeakPolarHBondContact O-CB 3.21Å; S411-A415 PolarHBondContact O-N 3.1Å; T412-A415 PolarHBondContact O-N 2.97Å; A415-R418 PolarHBondContact O-N 2.96Å; A415-A419 WeakPolarHBondContact O-CB 3.48Å; A415-A419 PolarHBondContact O-N 3.3Å
416L89.4Confident78.1Confident16 Ų1658.4 Ų58.48%0.08431%0.311CS..Hα-helixtrans-60.3-44.2172.9-79.5166.9000112.1L202 T412 N413 A419 L420 R570 T573L202-L416 HydrophobicContact CD1-CB 3.59Å; L202-L416 HydrophobicContact CD1-CD1 4.48Å; L202-L416 HydrophobicContact CD2-CB 4Å; L202-L416 HydrophobicContact CG-CB 4.49Å; T412-L416 HydrophobicContact CG2-CD1 4.11Å; T412-L416 WeakPolarHBondContact O-CB 3.16Å; T412-L416 WeakPolarHBondContact O-CG 3.24Å; T412-L416 PolarHBondContact O-N 2.76Å; N413-L416 PolarHBondContact O-N 2.81Å; L416-A419 WeakPolarHBondContact O-CB 3.36Å; L416-A419 PolarHBondContact O-N 2.56Å; L416-L420 PolarHBondContact O-N 2.82Å; L416-R570 HydrophobicContact CD2-CB 4.43Å; L416-R570 HydrophobicContact CD2-CG 4.2Å; L416-T573 HydrophobicContact CD2-CG2 3.72Å; L416-T573 HydrophobicContact CG-CG2 4.08Å
417F88.8Confident75.3Confident0 Ų058.1 Ų58.10%033%0.325CS..Hα-helixtrans-64-44.9179.1178.9-99.3000111.4F199 D201 L202 Y335 K337 N413 L414 A419 L420F199-F417 HydrophobicContact CB-CB 4.4Å; F199-F417 HydrophobicContact CB-CD2 3.93Å; F199-F417 HydrophobicContact CB-CG 4.42Å; F199-F417 HydrophobicContact CD1-CB 3.68Å; F199-F417 AromaticContact CD1-CD1 3.82Å; F199-F417 HydrophobicContact CD1-CD1 3.82Å; F199-F417 AromaticContact CD1-CD2 3.49Å; F199-F417 HydrophobicContact CD1-CD2 3.49Å; F199-F417 VanDerWaalsContact CD1-CD2 3.49Å; F199-F417 HydrophobicContact CD1-CE1 4.28Å; F199-F417 AromaticContact CD1-CE2 3.95Å; F199-F417 HydrophobicContact CD1-CE2 3.95Å; F199-F417 AromaticContact CD1-CG 3.38Å; F199-F417 HydrophobicContact CD1-CG 3.38Å; F199-F417 HydrophobicContact CD1-CZ 4.32Å; F199-F417 HydrophobicContact CE1-CB 4.16Å; F199-F417 AromaticContact CE1-CD1 3.95Å; F199-F417 HydrophobicContact CE1-CD1 3.95Å; F199-F417 HydrophobicContact CE1-CD2 4.42Å; F199-F417 HydrophobicContact CE1-CE1 4.42Å; F199-F417 AromaticContact CE1-CG 3.94Å; F199-F417 HydrophobicContact CE1-CG 3.94Å; F199-F417 HydrophobicContact CG-CB 4.08Å; F199-F417 HydrophobicContact CG-CD2 4.1Å; F199-F417 HydrophobicContact CG-CG 4.15Å; D201-F417 HydrophobicContact CB-CE2 4.47Å; D201-F417 WeakPolarHBondContact OD2-CE2 3.33Å; L202-F417 HydrophobicContact CD1-CB 4.15Å; Y335-F417 AromaticContact CD1-CE1 3.93Å; Y335-F417 HydrophobicContact CD1-CE1 3.93Å; Y335-F417 HydrophobicContact CD1-CE2 4.08Å; Y335-F417 AromaticContact CD1-CZ 3.53Å; Y335-F417 HydrophobicContact CD1-CZ 3.53Å; Y335-F417 HydrophobicContact CE1-CD1 4.49Å; Y335-F417 AromaticContact CE1-CE1 3.51Å; Y335-F417 HydrophobicContact CE1-CE1 3.51Å; Y335-F417 HydrophobicContact CE1-CE2 4.41Å; Y335-F417 AromaticContact CE1-CZ 3.44Å; Y335-F417 HydrophobicContact CE1-CZ 3.44Å; Y335-F417 VanDerWaalsContact CE1-CZ 3.44Å; K337-F417 HydrophobicContact CB-CE2 3.91Å; K337-F417 HydrophobicContact CB-CZ 3.66Å; K337-F417 HydrophobicContact CG-CZ 4.39Å; N413-F417 WeakPolarHBondContact O-CB 3.41Å; N413-F417 PolarHBondContact O-N 3.13Å; L414-F417 PolarHBondContact O-N 3.36Å; F417-A419 VanDerWaalsContact C-N 3.33Å; F417-A419 PolarHBondContact O-N 3.07Å; F417-L420 HydrophobicContact CD2-CD1 4.45Å; F417-L420 VanDerWaalsContact O-CB 3.26Å; F417-L420 WeakPolarHBondContact O-CB 3.19Å; F417-L420 WeakPolarHBondContact O-CG 3.19Å; F417-L420 PolarHBondContact O-N 2.87Å; F417-L420 VanDerWaalsContact O-N 3.16Å
418R86.7Confident72.6Confident107 Ų10766.2 Ų66.240%0.40435%0.348SS..Hα-helixtrans-63.3-35.9172.8-73.1177.7175.3153.75.2112.6E377 L414 A415 L420 E421E377-R418 PolarHBondContact O-NH2 3.11Å; E377-R418 IonicContact OE2-CZ 3.74Å; E377-R418 IonicContact OE2-NE 2.71Å; E377-R418 PolarHBondContact OE2-NE 3.08Å; E377-R418 IonicContact OE2-NH2 3.46Å; E377-R418 PolarHBondContact OE2-NH2 2.99Å; L414-R418 WeakPolarHBondContact O-CG 3.5Å; L414-R418 PolarHBondContact O-N 3.4Å; A415-R418 PolarHBondContact O-N 2.96Å; R418-L420 PolarHBondContact O-N 3.13Å; R418-L420 VanDerWaalsContact O-N 3.14Å; R418-E421 WeakPolarHBondContact O-CB 3.43Å; R418-E421 PolarHBondContact O-N 2.76Å
419A82Confident69.8Low26 Ų2669.1 Ų69.122%0.21535%0.352CS..Hα-helixtrans-61.8-21.1175.400000113.6A415 L416 F417 E421 F422A415-A419 WeakPolarHBondContact O-CB 3.48Å; A415-A419 PolarHBondContact O-N 3.3Å; L416-A419 WeakPolarHBondContact O-CB 3.36Å; L416-A419 PolarHBondContact O-N 2.56Å; F417-A419 VanDerWaalsContact C-N 3.33Å; F417-A419 PolarHBondContact O-N 3.07Å; A419-E421 PolarHBondContact O-N 2.8Å; A419-F422 PolarHBondContact O-N 2.94Å
420L77.5Confident66.9Low18 Ų1869.6 Ų69.69%0.09436%0.363CS..Hα-helixtrans-65.9-16.6171.4-56177.3000113.1D201 L202 L416 F417 R418 A569D201-L420 HydrophobicContact CB-CD1 3.64Å; L202-L420 HydrophobicContact CD2-CD1 3.96Å; L202-L420 HydrophobicContact CD2-CD2 4.48Å; L202-L420 HydrophobicContact CD2-CG 4.35Å; L416-L420 PolarHBondContact O-N 2.82Å; F417-L420 HydrophobicContact CD2-CD1 4.45Å; F417-L420 VanDerWaalsContact O-CB 3.26Å; F417-L420 WeakPolarHBondContact O-CB 3.19Å; F417-L420 WeakPolarHBondContact O-CG 3.19Å; F417-L420 PolarHBondContact O-N 2.87Å; F417-L420 VanDerWaalsContact O-N 3.16Å; R418-L420 PolarHBondContact O-N 3.13Å; R418-L420 VanDerWaalsContact O-N 3.14Å; L420-A569 HydrophobicContact CD2-CB 4.46Å
421E57.6Low64Low64 Ų6476.6 Ų76.630%0.29940%0.4SS..Hα-helixtrans-70.4-39.9174.2-74.3170.4171.600112.4K337 R340 R418 A419 T423 T424K337-E421 HydrophobicContact CD-CG 4.22Å; K337-E421 VanDerWaalsContact CE-CG 3.42Å; K337-E421 VanDerWaalsContact NZ-CG 3.25Å; R340-E421 IonicContact CZ-OE1 3.18Å; R340-E421 IonicContact NH1-OE1 2.68Å; R340-E421 PolarHBondContact NH1-OE1 3.28Å; R340-E421 IonicContact NH2-OE1 3.96Å; R340-E421 PolarHBondContact NH2-OE1 3.03Å; R418-E421 WeakPolarHBondContact O-CB 3.43Å; R418-E421 PolarHBondContact O-N 2.76Å; A419-E421 PolarHBondContact O-N 2.8Å; E421-T423 PolarHBondContact O-N 2.72Å; E421-T424 PolarHBondContact O-N 2.94Å; E421-T424 PolarHBondContact O-OG1 3.3Å
422F47.3Very low61.2Low161 Ų16181.5 Ų81.571%0.70642%0.422SS*.Hα-helixtrans-61.1-46-178.5-84.4-89.6000113.3A419 T424 K425 I426A419-F422 PolarHBondContact O-N 2.94Å; F422-T424 PolarHBondContact O-N 3.45Å; F422-T424 VanDerWaalsContact O-N 3.08Å; F422-K425 PolarHBondContact O-N 2.91Å; F422-I426 WeakPolarHBondContact O-CG1 3.49Å
423T44Very low58.4Low31 Ų3186.8 Ų86.819%0.1945%0.45CS..Hα-helixtrans-67.9-10.5-178.267.80000114.2E421E421-T423 PolarHBondContact O-N 2.72Å
424T43.8Very low55.6Low74 Ų7491.1 Ų91.145%0.45447%0.472SS..Hα-helixtrans-90.9-29.1176.845.10000114.5E421 F422E421-T424 PolarHBondContact O-N 2.94Å; E421-T424 PolarHBondContact O-OG1 3.3Å; F422-T424 PolarHBondContact O-N 3.45Å; F422-T424 VanDerWaalsContact O-N 3.08Å
425K43.6Very low53Low149 Ų14997.4 Ų97.465%0.64851%0.506SS*.Hα-helixtrans-77.2-37.9176.9-68.8-172.3176.6-176.10112.7F422 G427 Y428F422-K425 PolarHBondContact O-N 2.91Å; K425-G427 PolarHBondContact O-N 3.3Å; K425-G427 VanDerWaalsContact O-N 3.12Å; K425-Y428 PolarHBondContact O-N 2.96Å
426I44.2Very low50.4Low54 Ų54102.3 Ų102.328%0.27753%0.525SS..G310 helixtrans-53.2-36-177.4-70.5170000112.8F422 Y428 W519F422-I426 WeakPolarHBondContact O-CG1 3.49Å; I426-Y428 VanDerWaalsContact C-N 3.27Å; I426-Y428 PolarHBondContact O-N 2.93Å; I426-W519 HydrophobicContact CG2-CH2 4.33Å; I426-W519 HydrophobicContact CG2-CZ3 4.2Å
427G36.7Very low47.7Very low65 Ų65108.6 Ų108.667%0.6756%0.559SS**G310 helixtrans-79.510.218000000116.4K425K425-G427 PolarHBondContact O-N 3.3Å; K425-G427 VanDerWaalsContact O-N 3.12Å
428Y38Very low45.1Very low215 Ų215112.7 Ų112.784%0.84359%0.588SS**G310 helixtrans-134.8-2.6-173.1-139.2-94.9000115.6K425 I426K425-Y428 PolarHBondContact O-N 2.96Å; I426-Y428 VanDerWaalsContact C-N 3.27Å; I426-Y428 PolarHBondContact O-N 2.93Å
429Q36.5Very low42.4Very low146 Ų146114.5 Ų114.568%0.68261%0.611SS**SBendtrans-98.9-20.8-171.7-70.7-168.9-96.800116.1N431Q429-N431 PolarHBondContact O-N 3.33Å
430N33.6Very low39.8Very low128 Ų128116.9 Ų116.968%0.68464%0.638SS**THydrogen-bonded Turntrans-95.791.8175.4-79.728.1000111.1
431N33.9Very low37.4Very low152 Ų152123 Ų12381%0.81367%0.671SS**THydrogen-bonded Turntrans-157.3-0.9159.8-134.923.9000115.2Q429Q429-N431 PolarHBondContact O-N 3.33Å
432N34.2Very low36.1Very low159 Ų159125.3 Ų125.385%0.8569%0.693SS**SBendtrans-108.6123.6161.5-71.42.3000106.7
433N34.3Very low35.1Very low141 Ų141124.2 Ų124.275%0.75470%0.695SS**  trans-91.2157.5174.6-53.8-35.5000109.1
434N34.4Very low34.3Very low144 Ų144131.4 Ų131.477%0.7772%0.719SS**  trans69.1131.5164.3-56.611.7000113.2
435D36.3Very low33.6Very low145 Ų145135.7 Ų135.778%0.77574%0.738SS**  cis-145.1174.417.8-73.6-61.5000112.5
436D35.8Very low32.9Very low153 Ų153136.1 Ų136.182%0.81875%0.747SS**  trans29.7112.6162-72.3-18.8000123.7
437D32.7Very low32.2Very low148 Ų148140.9 Ų140.979%0.79177%0.766SS**  76.8143.7119.3-147.7-0.7000122.4
438S33.9Very low31.8Very low86 Ų86148 Ų14860%0.60178%0.779SS**  trans60.497.9152.8-77.90000121.6
439T29.9Very low31.6Very low145 Ų145143.9 Ų143.989%0.8977%0.771SS**  61.276.7127.1-45.80000117.8
440G28.3Very low31.5Very low77 Ų77143.9 Ų143.979%0.79478%0.776SS**  trans-134.3110.2173.700000115
441N26.1Very low31.6Very low147 Ų147144.6 Ų144.679%0.78678%0.78SS**  trans-84.4118.3172174.626.2000110.9
442C30Very low31.6Very low111 Ų111143.5 Ų143.575%0.7577%0.774SS**  trans-111.579.1-177.7-167.70000113.6
443N26.8Very low31.8Very low139 Ų139144.4 Ų144.474%0.74377%0.773SS**  trans-96.880.9156.2-91.1-21000109
444Y28.1Very low31.7Very low182 Ų182141.7 Ų141.771%0.71478%0.779SS**  trans-144.4127.2169.5-96.1-77.7000113.3
445I28.6Very low31.6Very low163 Ų163138.4 Ų138.484%0.83678%0.779SS**SBendtrans-178.387.1139.8-87150.9000103.7
446N28.3Very low31.5Very low159 Ų159139.2 Ų139.285%0.8578%0.783SS**SBendtrans17560.3166.6-94.9-17.6000109.4
447K29.5Very low31.4Very low154 Ų154136.7 Ų136.767%0.6778%0.778SS**  trans-168.2117.8157.1-113.5-167.4174.3-152.10108.2
448F29.1Very low31.8Very low215 Ų215138.2 Ų138.294%0.94378%0.78SS**  trans-156.473.9162-94.1-66.4000104.8
449D32.6Very low32.1Very low127 Ų127141.8 Ų141.868%0.67979%0.792SS**  trans-112.2142.8163.1-52.8-67.4000105.2
450D34.3Very low32.8Very low147 Ų147140.8 Ų140.879%0.78678%0.776SS**  trans66.7127.7163.1-56.4-16.4000121.7
451D36.5Very low33.9Very low142 Ų142139.5 Ų139.576%0.75975%0.754SS**  trans88111.6137.5-57.6-11.7000124.9
452N34.9Very low34.8Very low130 Ų130138 Ų13870%0.69575%0.751SS**  trans94.7125.3130.5-88.313.8000124.6
453E36.4Very low36.1Very low177 Ų177140.4 Ų140.483%0.82775%0.751SS**  trans66.9124.3138.6-69174.5-162.300122.7
454G34Very low37.6Very low85 Ų85138.2 Ų138.288%0.87674%0.736SS**  trans116121135.300000117.8
455G32.2Very low39.1Very low75 Ų75138.2 Ų138.277%0.77374%0.735SS**  trans108.295.4151.100000118.2
456D33.7Very low40.9Very low162 Ų162135.6 Ų135.687%0.86672%0.719SS**  trans21114.7136.5-60.3-19000119.1
457S33.9Very low43Very low100 Ų100134.4 Ų134.470%0.69971%0.708SS**  88.788.167.8-175.70000114.5
458E40Very low45Very low179 Ų179133.1 Ų133.184%0.83670%0.701SS**  trans-135.4133.7140.6-78.4-156.5153.600110.1F460E458-F460 PolarHBondContact O-N 3.46Å; E458-F460 VanDerWaalsContact O-N 3.11Å
459N40.1Very low46.8Very low161 Ų161126.2 Ų126.286%0.86167%0.673SS**  trans-81.688.1-173.9-85.4-51.5000112.7S461N459-S461 PolarHBondContact O-N 3.16Å
460F46Very low48.9Very low125 Ų125125 Ų12555%0.54866%0.662SS.*  trans-74120.6166.6-110.4-107.8000111.4E458 Q464E458-F460 PolarHBondContact O-N 3.46Å; E458-F460 VanDerWaalsContact O-N 3.11Å; F460-Q464 HydrophobicContact CD1-CB 3.6Å; F460-Q464 HydrophobicContact CE1-CB 3.83Å; F460-Q464 HydrophobicContact CG-CB 4.46Å
461S50.2Low50.9Low49 Ų49121.7 Ų121.734%0.34364%0.644SS.*  trans-69157.4178.788.20000112.1N459 E463 Q464 R465N459-S461 PolarHBondContact O-N 3.16Å; S461-E463 PolarHBondContact O-N 3.04Å; S461-E463 PolarHBondContact OG-N 2.89Å; S461-Q464 PolarHBondContact O-N 3.01Å; S461-Q464 VanDerWaalsContact O-N 3.15Å; S461-Q464 WeakPolarHBondContact OG-CG 3.29Å; S461-Q464 PolarHBondContact OG-N 2.96Å; S461-Q464 VanDerWaalsContact OG-N 3.12Å; S461-R465 WeakPolarHBondContact O-CB 3.39Å; S461-R465 PolarHBondContact O-N 3.45Å
462T46.2Very low52.7Low116 Ų116118.1 Ų118.171%0.71262%0.622SS**Hα-helixtrans-56.5-35.8176.4-40.90000112E466T462-E466 WeakPolarHBondContact O-CB 3.33Å; T462-E466 PolarHBondContact O-N 3.36Å
463E57.1Low54.2Low161 Ų161117.3 Ų117.375%0.75261%0.61SS**Hα-helixtrans-70.4-44.1177.2-62-176.8134.500112S461 R465 E466 E467S461-E463 PolarHBondContact O-N 3.04Å; S461-E463 PolarHBondContact OG-N 2.89Å; E463-R465 VanDerWaalsContact C-N 3.3Å; E463-R465 PolarHBondContact O-N 3.22Å; E463-E466 PolarHBondContact O-N 2.91Å; E463-E467 WeakPolarHBondContact O-CB 3.45Å; E463-E467 PolarHBondContact O-N 2.86Å
464Q58.2Low55.9Low93 Ų93115.7 Ų115.744%0.43560%0.596SS.*Hα-helixtrans-63.1-38174.5-71170.3-34.300111.5F460 S461 E467 Y468F460-Q464 HydrophobicContact CD1-CB 3.6Å; F460-Q464 HydrophobicContact CE1-CB 3.83Å; F460-Q464 HydrophobicContact CG-CB 4.46Å; S461-Q464 PolarHBondContact O-N 3.01Å; S461-Q464 VanDerWaalsContact O-N 3.15Å; S461-Q464 WeakPolarHBondContact OG-CG 3.29Å; S461-Q464 PolarHBondContact OG-N 2.96Å; S461-Q464 VanDerWaalsContact OG-N 3.12Å; Q464-E467 PolarHBondContact O-N 2.76Å; Q464-Y468 WeakPolarHBondContact O-CB 3.46Å; Q464-Y468 PolarHBondContact O-N 3.42Å
465R60.3Low58Low183 Ų183116.7 Ų116.769%0.69158%0.576SS**Hα-helixtrans-67.9-44.1176.8-156.5170.5-172.1162.82.1110.9S461 E463 Y468 D469S461-R465 WeakPolarHBondContact O-CB 3.39Å; S461-R465 PolarHBondContact O-N 3.45Å; E463-R465 VanDerWaalsContact C-N 3.3Å; E463-R465 PolarHBondContact O-N 3.22Å; R465-Y468 PolarHBondContact O-N 2.63Å; R465-D469 WeakPolarHBondContact O-CB 3.4Å; R465-D469 PolarHBondContact O-N 2.75Å
466E66Low59.9Low108 Ų108118.5 Ų118.551%0.50557%0.568SS.*Hα-helixtrans-61.9-38.5170.6-93.4-159.6-147.400113.1T462 E463 D469 K470T462-E466 WeakPolarHBondContact O-CB 3.33Å; T462-E466 PolarHBondContact O-N 3.36Å; E463-E466 PolarHBondContact O-N 2.91Å; E466-D469 PolarHBondContact O-N 3.14Å; E466-K470 WeakPolarHBondContact O-CB 3.29Å; E466-K470 VanDerWaalsContact O-CD 3.27Å; E466-K470 WeakPolarHBondContact O-CD 3.41Å; E466-K470 WeakPolarHBondContact O-CG 3.5Å; E466-K470 PolarHBondContact O-N 3.49Å; E466-K470 WeakPolarHBondContact OE2-CE 3.24Å; E466-K470 IonicContact OE2-NZ 2.7Å; E466-K470 PolarHBondContact OE2-NZ 3.3Å
467E71.8Confident61.7Low133 Ų133115.3 Ų115.362%0.62155%0.55SS*.Hα-helixtrans-71.5-40178.7-177.1151.4-129.800112E463 Q464 D469 K470 L471E463-E467 WeakPolarHBondContact O-CB 3.45Å; E463-E467 PolarHBondContact O-N 2.86Å; Q464-E467 PolarHBondContact O-N 2.76Å; E467-D469 VanDerWaalsContact C-N 3.33Å; E467-D469 PolarHBondContact O-N 3.41Å; E467-K470 CarbonylContact O-C 3.55Å; E467-K470 PolarHBondContact O-N 3.49Å; E467-L471 VanDerWaalsContact O-CB 3.26Å; E467-L471 WeakPolarHBondContact O-CB 3.32Å; E467-L471 PolarHBondContact O-N 3.33Å
468Y72.2Confident63.6Low128 Ų128113.9 Ų113.950%0.50254%0.537SS..Hα-helixtrans-58.4-45.1169.8-172.6-90.9000111.1Q464 R465 K470 L471 E472Q464-Y468 WeakPolarHBondContact O-CB 3.46Å; Q464-Y468 PolarHBondContact O-N 3.42Å; R465-Y468 PolarHBondContact O-N 2.63Å; Y468-K470 PolarHBondContact O-N 2.8Å; Y468-L471 CarbonylContact O-C 3.59Å; Y468-L471 WeakPolarHBondContact O-CA 3.16Å; Y468-L471 WeakPolarHBondContact O-CB 3.14Å; Y468-L471 PolarHBondContact O-N 3.48Å; Y468-L471 VanDerWaalsContact O-N 3.08Å; Y468-E472 HydrophobicContact CD1-CG 4.11Å; Y468-E472 HydrophobicContact CE1-CG 3.64Å; Y468-E472 PolarHBondContact O-N 3.04Å
469D67.1Low65.1Low69 Ų69107.3 Ų107.337%0.36951%0.511SS..Hα-helixtrans-63.9-42.6176.8-128.164.7000112.2R465 E466 E467 L471 R473R465-D469 WeakPolarHBondContact O-CB 3.4Å; R465-D469 PolarHBondContact O-N 2.75Å; E466-D469 PolarHBondContact O-N 3.14Å; E467-D469 VanDerWaalsContact C-N 3.33Å; E467-D469 PolarHBondContact O-N 3.41Å; D469-L471 VanDerWaalsContact C-N 3.26Å; D469-L471 PolarHBondContact O-N 2.89Å; D469-R473 VanDerWaalsContact O-CB 3.31Å; D469-R473 WeakPolarHBondContact O-CB 3.26Å; D469-R473 VanDerWaalsContact O-CD 3.24Å; D469-R473 WeakPolarHBondContact O-CD 3.1Å; D469-R473 WeakPolarHBondContact O-CG 3.49Å; D469-R473 PolarHBondContact O-N 3.08Å; D469-R473 IonicContact OD2-CZ 2.66Å; D469-R473 IonicContact OD2-NE 2.98Å; D469-R473 PolarHBondContact OD2-NE 2.77Å; D469-R473 IonicContact OD2-NH2 3.29Å; D469-R473 PolarHBondContact OD2-NH2 2.94Å
470K75.7Confident66.5Low103 Ų103102.6 Ų102.645%0.44848%0.484SS..Hα-helixtrans-64.3-30.7172.4-71159.2-163.9163.50111.7E466 E467 Y468 R474E466-K470 WeakPolarHBondContact O-CB 3.29Å; E466-K470 VanDerWaalsContact O-CD 3.27Å; E466-K470 WeakPolarHBondContact O-CD 3.41Å; E466-K470 WeakPolarHBondContact O-CG 3.5Å; E466-K470 PolarHBondContact O-N 3.49Å; E466-K470 WeakPolarHBondContact OE2-CE 3.24Å; E466-K470 IonicContact OE2-NZ 2.7Å; E466-K470 PolarHBondContact OE2-NZ 3.3Å; E467-K470 CarbonylContact O-C 3.55Å; E467-K470 PolarHBondContact O-N 3.49Å; Y468-K470 PolarHBondContact O-N 2.8Å; K470-R474 WeakPolarHBondContact O-CB 3.31Å; K470-R474 PolarHBondContact O-N 3.17Å; K470-R474 VanDerWaalsContact O-N 3.17Å
471L76.7Confident67.5Low76 Ų76102.5 Ų102.540%0.39848%0.483SS..Hα-helixtrans-75.5-47.7177.5-170.972.3000110.9E467 Y468 D469 R474 K475E467-L471 VanDerWaalsContact O-CB 3.26Å; E467-L471 WeakPolarHBondContact O-CB 3.32Å; E467-L471 PolarHBondContact O-N 3.33Å; Y468-L471 CarbonylContact O-C 3.59Å; Y468-L471 WeakPolarHBondContact O-CA 3.16Å; Y468-L471 WeakPolarHBondContact O-CB 3.14Å; Y468-L471 PolarHBondContact O-N 3.48Å; Y468-L471 VanDerWaalsContact O-N 3.08Å; D469-L471 VanDerWaalsContact C-N 3.26Å; D469-L471 PolarHBondContact O-N 2.89Å; L471-R474 CarbonylContact O-C 3.57Å; L471-R474 WeakPolarHBondContact O-CA 3.24Å; L471-R474 WeakPolarHBondContact O-CB 3.38Å; L471-R474 PolarHBondContact O-N 2.78Å; L471-R474 VanDerWaalsContact O-N 3.14Å; L471-K475 WeakPolarHBondContact O-CG 3.45Å; L471-K475 PolarHBondContact O-N 3.23Å
472E73.5Confident68.5Low67 Ų67103.5 Ų103.531%0.31348%0.484SS..Hα-helixtrans-64.4-43.2176.9-77-50.8132.400112.1Y468 R474 K475 L476Y468-E472 HydrophobicContact CD1-CG 4.11Å; Y468-E472 HydrophobicContact CE1-CG 3.64Å; Y468-E472 PolarHBondContact O-N 3.04Å; E472-R474 VanDerWaalsContact C-N 3.26Å; E472-R474 PolarHBondContact O-N 3.45Å; E472-K475 PolarHBondContact O-N 3.12Å; E472-K475 VanDerWaalsContact OE1-CD 3.29Å; E472-K475 WeakPolarHBondContact OE1-CD 3.15Å; E472-K475 WeakPolarHBondContact OE1-CE 3.28Å; E472-K475 IonicContact OE1-NZ 2.93Å; E472-K475 PolarHBondContact OE1-NZ 3.35Å; E472-L476 WeakPolarHBondContact O-CB 3.42Å; E472-L476 PolarHBondContact O-N 3.32Å
473R67Low69.6Low113 Ų113103.4 Ų103.443%0.42647%0.474SS..Hα-helixtrans-58.3-40.7171.3-67.2162.9-166.2-138.33.9111.1N352 D469 L476 I477N352-R473 VanDerWaalsContact OD1-CZ 3.26Å; N352-R473 PolarHBondContact OD1-NH1 2.97Å; N352-R473 PolarHBondContact OD1-NH2 2.93Å; D469-R473 VanDerWaalsContact O-CB 3.31Å; D469-R473 WeakPolarHBondContact O-CB 3.26Å; D469-R473 VanDerWaalsContact O-CD 3.24Å; D469-R473 WeakPolarHBondContact O-CD 3.1Å; D469-R473 WeakPolarHBondContact O-CG 3.49Å; D469-R473 PolarHBondContact O-N 3.08Å; D469-R473 IonicContact OD2-CZ 2.66Å; D469-R473 IonicContact OD2-NE 2.98Å; D469-R473 PolarHBondContact OD2-NE 2.77Å; D469-R473 IonicContact OD2-NH2 3.29Å; D469-R473 PolarHBondContact OD2-NH2 2.94Å; R473-L476 PolarHBondContact O-N 3.08Å; R473-I477 VanDerWaalsContact O-CB 3.24Å; R473-I477 WeakPolarHBondContact O-CB 3.5Å; R473-I477 WeakPolarHBondContact O-CD1 3.49Å; R473-I477 WeakPolarHBondContact O-CG1 3.39Å; R473-I477 PolarHBondContact O-N 3.22Å
474R72.8Confident69.6Low143 Ų143103.1 Ų103.154%0.5447%0.466SS..Hα-helixtrans-69.4-40.3177.7-160.3-175.7-44.7-179.310.1111.7K470 L471 E472 T478K470-R474 WeakPolarHBondContact O-CB 3.31Å; K470-R474 PolarHBondContact O-N 3.17Å; K470-R474 VanDerWaalsContact O-N 3.17Å; L471-R474 CarbonylContact O-C 3.57Å; L471-R474 WeakPolarHBondContact O-CA 3.24Å; L471-R474 WeakPolarHBondContact O-CB 3.38Å; L471-R474 PolarHBondContact O-N 2.78Å; L471-R474 VanDerWaalsContact O-N 3.14Å; E472-R474 VanDerWaalsContact C-N 3.26Å; E472-R474 PolarHBondContact O-N 3.45Å; R474-T478 WeakPolarHBondContact O-CB 3.48Å; R474-T478 PolarHBondContact O-N 3.4Å; R474-T478 PolarHBondContact O-OG1 2.76Å
475K76.8Confident69.5Low106 Ų106106.9 Ų106.946%0.46148%0.476SS..Hα-helixtrans-60.7-48.1171.2-73176.7-170.2169.20111L471 E472 T478 S479L471-K475 WeakPolarHBondContact O-CG 3.45Å; L471-K475 PolarHBondContact O-N 3.23Å; E472-K475 PolarHBondContact O-N 3.12Å; E472-K475 VanDerWaalsContact OE1-CD 3.29Å; E472-K475 WeakPolarHBondContact OE1-CD 3.15Å; E472-K475 WeakPolarHBondContact OE1-CE 3.28Å; E472-K475 IonicContact OE1-NZ 2.93Å; E472-K475 PolarHBondContact OE1-NZ 3.35Å; K475-T478 CarbonylContact O-C 3.6Å; K475-T478 PolarHBondContact O-N 3.25Å; K475-S479 VanDerWaalsContact O-CB 3.31Å; K475-S479 WeakPolarHBondContact O-CB 3.48Å; K475-S479 PolarHBondContact O-N 2.83Å
476L73.2Confident69Low114 Ų114106.2 Ų106.260%0.59747%0.474SS*.Hα-helixtrans-60.8-51.1179.1-171.277.4000111.1E472 R473 S479 E480E472-L476 WeakPolarHBondContact O-CB 3.42Å; E472-L476 PolarHBondContact O-N 3.32Å; R473-L476 PolarHBondContact O-N 3.08Å; L476-S479 WeakPolarHBondContact O-CB 3.25Å; L476-S479 PolarHBondContact O-N 3.47Å; L476-S479 VanDerWaalsContact O-N 3.14Å; L476-S479 PolarHBondContact O-OG 2.84Å; L476-E480 PolarHBondContact O-N 2.99Å
477I72Confident68.1Low95 Ų95106.8 Ų106.849%0.48748%0.48SS..Hα-helixtrans-60.2-46.3177-71.8167000110.8R473 S479 E480 F481R473-I477 VanDerWaalsContact O-CB 3.24Å; R473-I477 WeakPolarHBondContact O-CB 3.5Å; R473-I477 WeakPolarHBondContact O-CD1 3.49Å; R473-I477 WeakPolarHBondContact O-CG1 3.39Å; R473-I477 PolarHBondContact O-N 3.22Å; I477-S479 VanDerWaalsContact C-N 3.31Å; I477-S479 PolarHBondContact O-N 3.16Å; I477-E480 PolarHBondContact O-N 3.39Å; I477-F481 HydrophobicContact CG2-CD2 3.63Å; I477-F481 HydrophobicContact CG2-CE2 3.72Å; I477-F481 WeakPolarHBondContact O-CD2 3.46Å; I477-F481 PolarHBondContact O-N 3.13Å
478T73.4Confident66.8Low69 Ų69105.3 Ų105.342%0.42348%0.481SS..Hα-helixtrans-64.6-34.2175.2-68.40000111.8R474 K475 N482R474-T478 WeakPolarHBondContact O-CB 3.48Å; R474-T478 PolarHBondContact O-N 3.4Å; R474-T478 PolarHBondContact O-OG1 2.76Å; K475-T478 CarbonylContact O-C 3.6Å; K475-T478 PolarHBondContact O-N 3.25Å; T478-N482 WeakPolarHBondContact O-CB 3.35Å; T478-N482 PolarHBondContact O-N 3.2Å; T478-N482 PolarHBondContact O-ND2 2.89Å
479S71.7Confident65.2Low42 Ų42105.1 Ų105.129%0.29449%0.488SS..Hα-helixtrans-66.6-41.9174.3880000111.3K475 L476 I477 N482 K483K475-S479 VanDerWaalsContact O-CB 3.31Å; K475-S479 WeakPolarHBondContact O-CB 3.48Å; K475-S479 PolarHBondContact O-N 2.83Å; L476-S479 WeakPolarHBondContact O-CB 3.25Å; L476-S479 PolarHBondContact O-N 3.47Å; L476-S479 VanDerWaalsContact O-N 3.14Å; L476-S479 PolarHBondContact O-OG 2.84Å; I477-S479 VanDerWaalsContact C-N 3.31Å; I477-S479 PolarHBondContact O-N 3.16Å; S479-N482 PolarHBondContact O-N 2.93Å; S479-K483 VanDerWaalsContact O-CG 3.25Å; S479-K483 WeakPolarHBondContact O-CG 3.3Å; S479-K483 PolarHBondContact O-N 2.96Å
480E68.9Low63.5Low62 Ų62109 Ų10929%0.2950%0.502SS..Hα-helixtrans-67.7-44.9176.8-84.6-61.6120.200112L476 I477 N482 K483 R484L476-E480 PolarHBondContact O-N 2.99Å; I477-E480 PolarHBondContact O-N 3.39Å; E480-N482 VanDerWaalsContact C-N 3.3Å; E480-N482 PolarHBondContact O-N 3.37Å; E480-K483 PolarHBondContact O-N 3.16Å; E480-K483 VanDerWaalsContact OE1-CD 3.3Å; E480-K483 WeakPolarHBondContact OE1-CD 3.42Å; E480-K483 WeakPolarHBondContact OE1-CE 3.3Å; E480-K483 IonicContact OE1-NZ 3.56Å; E480-K483 PolarHBondContact OE1-NZ 3.26Å; E480-R484 WeakPolarHBondContact O-CB 3.44Å; E480-R484 WeakPolarHBondContact O-CD 3.12Å; E480-R484 WeakPolarHBondContact O-CG 3.47Å; E480-R484 PolarHBondContact O-N 3.41Å; E480-R484 IonicContact OE2-CZ 3.52Å; E480-R484 IonicContact OE2-NE 3.6Å; E480-R484 PolarHBondContact OE2-NE 3.44Å; E480-R484 IonicContact OE2-NH2 2.83Å; E480-R484 PolarHBondContact OE2-NH2 2.87Å
481F67.3Low61.3Low123 Ų123110 Ų11054%0.53952%0.519SS..Hα-helixtrans-65.7-32.7172.6-81.2-65.9000112.3I477 R484 R485I477-F481 HydrophobicContact CG2-CD2 3.63Å; I477-F481 HydrophobicContact CG2-CE2 3.72Å; I477-F481 WeakPolarHBondContact O-CD2 3.46Å; I477-F481 PolarHBondContact O-N 3.13Å; F481-R484 PolarHBondContact O-N 3.27Å; F481-R485 WeakPolarHBondContact O-CB 3.28Å; F481-R485 WeakPolarHBondContact O-CG 3.37Å; F481-R485 PolarHBondContact O-N 2.58Å
482N71.6Confident59.1Low69 Ų69111.8 Ų111.837%0.36953%0.528SS..Hα-helixtrans-71.5-38.9173.7-78.3-21.2000112.3T478 S479 E480 R484 R486T478-N482 WeakPolarHBondContact O-CB 3.35Å; T478-N482 PolarHBondContact O-N 3.2Å; T478-N482 PolarHBondContact O-ND2 2.89Å; S479-N482 PolarHBondContact O-N 2.93Å; E480-N482 VanDerWaalsContact C-N 3.3Å; E480-N482 PolarHBondContact O-N 3.37Å; N482-R484 VanDerWaalsContact C-N 3.27Å; N482-R484 PolarHBondContact O-N 3.02Å; N482-R486 WeakPolarHBondContact O-CB 3.34Å; N482-R486 WeakPolarHBondContact O-CD 3.35Å; N482-R486 WeakPolarHBondContact O-CG 3.46Å; N482-R486 PolarHBondContact O-N 3.18Å
483K68.5Low57Low114 Ų114117.7 Ų117.750%0.49656%0.555SS.*Hα-helixtrans-58.3-42.3169.9-70.3168-152.8171.20110.5S479 E480 N487S479-K483 VanDerWaalsContact O-CG 3.25Å; S479-K483 WeakPolarHBondContact O-CG 3.3Å; S479-K483 PolarHBondContact O-N 2.96Å; E480-K483 PolarHBondContact O-N 3.16Å; E480-K483 VanDerWaalsContact OE1-CD 3.3Å; E480-K483 WeakPolarHBondContact OE1-CD 3.42Å; E480-K483 WeakPolarHBondContact OE1-CE 3.3Å; E480-K483 IonicContact OE1-NZ 3.56Å; E480-K483 PolarHBondContact OE1-NZ 3.26Å; K483-N487 PolarHBondContact O-N 3.12Å
484R57.8Low55.5Low155 Ų155116 Ų11659%0.58556%0.561SS**Hα-helixtrans-71.1-43.7180-66.5165.7-158.4-1534.2112.9E480 F481 N482 N487E480-R484 WeakPolarHBondContact O-CB 3.44Å; E480-R484 WeakPolarHBondContact O-CD 3.12Å; E480-R484 WeakPolarHBondContact O-CG 3.47Å; E480-R484 PolarHBondContact O-N 3.41Å; E480-R484 IonicContact OE2-CZ 3.52Å; E480-R484 IonicContact OE2-NE 3.6Å; E480-R484 PolarHBondContact OE2-NE 3.44Å; E480-R484 IonicContact OE2-NH2 2.83Å; E480-R484 PolarHBondContact OE2-NH2 2.87Å; F481-R484 PolarHBondContact O-N 3.27Å; N482-R484 VanDerWaalsContact C-N 3.27Å; N482-R484 PolarHBondContact O-N 3.02Å; R484-N487 WeakPolarHBondContact O-CB 3.33Å; R484-N487 PolarHBondContact O-N 3.41Å
485R55.7Low54.3Low172 Ų172114.4 Ų114.465%0.64957%0.572SS**Hα-helixtrans-71.7-32.1176.3-68.3178.889.8162.35.9113.2F481 N487 T488 D489F481-R485 WeakPolarHBondContact O-CB 3.28Å; F481-R485 WeakPolarHBondContact O-CG 3.37Å; F481-R485 PolarHBondContact O-N 2.58Å; R485-N487 PolarHBondContact O-N 3.44Å; R485-T488 PolarHBondContact O-N 2.88Å; R485-T488 VanDerWaalsContact O-N 3.08Å; R485-T488 PolarHBondContact O-OG1 2.87Å; R485-T488 VanDerWaalsContact O-OG1 3.11Å; R485-D489 PolarHBondContact O-N 3.19Å; R485-D489 VanDerWaalsContact O-N 3.11Å
486R49.6Very low53.4Low170 Ų170111.3 Ų111.364%0.64256%0.557SS**Hα-helixtrans-64.1-20.2171.6-75.1171.4-177.6-166.40.9112.7N482N482-R486 WeakPolarHBondContact O-CB 3.34Å; N482-R486 WeakPolarHBondContact O-CD 3.35Å; N482-R486 WeakPolarHBondContact O-CG 3.46Å; N482-R486 PolarHBondContact O-N 3.18Å
487N47.4Very low53.4Low120 Ų120109.4 Ų109.464%0.64255%0.55SS**THydrogen-bonded Turntrans-87.3-5.6172.8-88.914.4000114.7K483 R484 R485K483-N487 PolarHBondContact O-N 3.12Å; R484-N487 WeakPolarHBondContact O-CB 3.33Å; R484-N487 PolarHBondContact O-N 3.41Å; R485-N487 PolarHBondContact O-N 3.44Å
488T44.8Very low53.5Low102 Ų102107.9 Ų107.963%0.62655%0.548SS*.THydrogen-bonded Turntrans-111.9-35.1177.349.20000113.9R485R485-T488 PolarHBondContact O-N 2.88Å; R485-T488 VanDerWaalsContact O-N 3.08Å; R485-T488 PolarHBondContact O-OG1 2.87Å; R485-T488 VanDerWaalsContact O-OG1 3.11Å
489D36.7Very low53.6Low123 Ų123105 Ų10566%0.65853%0.531SS*.SBendtrans-121.927.6-166-59.2-79.5000114.2R485R485-D489 PolarHBondContact O-N 3.19Å; R485-D489 VanDerWaalsContact O-N 3.11Å
490K31.6Very low54Low150 Ų150105.4 Ų105.465%0.65253%0.532SS*.SBendtrans-139.3143.9164.8-70.9-162.2173.4-161.30110.7I492K490-I492 PolarHBondContact O-N 3.3Å; K490-I492 VanDerWaalsContact O-N 3.07Å
491P29.7Very low54.2Low126 Ų126110.7 Ų110.782%0.81856%0.563SS**  trans-62.2114.4163.427.9-32.2000107.6Q493P491-Q493 VanDerWaalsContact C-N 3.33Å; P491-Q493 PolarHBondContact O-N 3.31Å
492I30.5Very low54.7Low112 Ų112111 Ų11157%0.57458%0.575SS**  trans-70.296.3175.2-59.9176.6000106.7K490 S494K490-I492 PolarHBondContact O-N 3.3Å; K490-I492 VanDerWaalsContact O-N 3.07Å; I492-S494 PolarHBondContact O-N 2.96Å
493Q29.9Very low55Low192 Ų192109 Ų10990%0.89757%0.565SS**  trans-59.291.7153-91.9-175.6-36.600106.5P491 S495P491-Q493 VanDerWaalsContact C-N 3.33Å; P491-Q493 PolarHBondContact O-N 3.31Å; Q493-S495 PolarHBondContact O-N 2.59Å; Q493-S495 VanDerWaalsContact O-N 3.09Å
494S36.4Very low55.7Low77 Ų77107.4 Ų107.454%0.53856%0.56SS.*  trans-62113.5170.757.90000107.2I492 W496I492-S494 PolarHBondContact O-N 2.96Å; S494-W496 PolarHBondContact O-N 3.04Å
495S46Very low57Low110 Ų110100.3 Ų100.377%0.76953%0.534SS*.  trans-67.262.916049.50000109Q493 V497Q493-S495 PolarHBondContact O-N 2.59Å; Q493-S495 VanDerWaalsContact O-N 3.09Å; S495-V497 PolarHBondContact O-N 2.78Å
496W59Low58.5Low40 Ų4095 Ų9515%0.15252%0.518CS..  trans-72.999.3175.9-175.287.7000106.7S494 S498 P508 D509 I516 G518S494-W496 PolarHBondContact O-N 3.04Å; W496-S498 VanDerWaalsContact CZ3-CA 3.49Å; W496-S498 PolarHBondContact O-N 3.49Å; W496-P508 WeakPolarHBondContact CH2-O 3.27Å; W496-P508 VanDerWaalsContact CZ2-O 3.28Å; W496-P508 WeakPolarHBondContact CZ2-O 3.32Å; W496-D509 VanDerWaalsContact CH2-CA 3.5Å; W496-D509 HydrophobicContact CH2-CB 4.36Å; W496-D509 WeakPolarHBondContact CH2-OD1 3.37Å; W496-D509 WeakPolarHBondContact CZ3-OD1 3.49Å; W496-I516 PolarHBondContact NE1-O 3.39Å; W496-G518 VanDerWaalsContact CZ2-N 3.33Å
497V72.9Confident60.1Low75 Ų7589.8 Ų89.846%0.45551%0.507SS..PPolyproline II helixtrans-74.2118.5-179.5-168.90000108.4S495 T517 G518 W519S495-V497 PolarHBondContact O-N 2.78Å; V497-T517 HydrophobicContact CB-CG2 4.46Å; V497-T517 WeakPolarHBondContact O-CB 3.13Å; V497-G518 PolarHBondContact O-N 3.28Å; V497-W519 HydrophobicContact CB-CB 4.14Å; V497-W519 HydrophobicContact CG1-CB 3.86Å; V497-W519 HydrophobicContact CG1-CG 4.3Å; V497-W519 PolarHBondContact O-N 3.03Å
498S74.1Confident61.7Low62 Ų6285.8 Ų85.843%0.43449%0.488SS..PPolyproline II helixtrans-55.1158.7171-54.30000111.2W496 W519W496-S498 VanDerWaalsContact CZ3-CA 3.49Å; W496-S498 PolarHBondContact O-N 3.49Å; S498-W519 WeakPolarHBondContact O-CB 3.4Å; S498-W519 PolarHBondContact O-N 2.93Å
499A76.4Confident63.4Low8 Ų885.2 Ų85.27%0.06648%0.481CS..PPolyproline II helixtrans-65.7155.1159.500000108.8T503 P508 D522A499-T503 HydrophobicContact CB-CG2 3.62Å; A499-P508 HydrophobicContact CB-CB 3.69Å; A499-D522 HydrophobicContact CB-CB 4.28Å
500P79.7Confident65.6Low51 Ų5181 Ų8133%0.33146%0.458SS..PPolyproline II helixtrans-57148.6171.3-21.633.3000111.1T502 T503P500-T502 PolarHBondContact O-N 3.49Å; P500-T503 WeakPolarHBondContact O-CB 3.48Å; P500-T503 VanDerWaalsContact O-CG2 3.3Å; P500-T503 WeakPolarHBondContact O-CG2 3.24Å; P500-T503 PolarHBondContact O-N 3.25Å
501D72.7Confident68Low174 Ų17480.6 Ų80.693%0.9345%0.453SS*.THydrogen-bonded Turntrans-60.5-19.3179.7-60.5-39.2000113.1
502T76.9Confident70.3Confident128 Ų12880.5 Ų80.579%0.78545%0.445SS*.THydrogen-bonded Turntrans-90.914.1175.4630000113.9P500P500-T502 PolarHBondContact O-N 3.49Å
503T79.2Confident72.8Confident28 Ų2875.3 Ų75.317%0.17242%0.419CS..  trans-73152.4-179.1-166.20000112.7A499 P500 V505 P508 D522A499-T503 HydrophobicContact CB-CG2 3.62Å; P500-T503 WeakPolarHBondContact O-CB 3.48Å; P500-T503 VanDerWaalsContact O-CG2 3.3Å; P500-T503 WeakPolarHBondContact O-CG2 3.24Å; P500-T503 PolarHBondContact O-N 3.25Å; T503-V505 HydrophobicContact CG2-CB 4.15Å; T503-V505 WeakPolarHBondContact OG1-CB 3.13Å; T503-V505 VanDerWaalsContact OG1-CG2 3.27Å; T503-V505 WeakPolarHBondContact OG1-CG2 3.37Å; T503-V505 PolarHBondContact OG1-N 3.22Å; T503-P508 HydrophobicContact CG2-CB 4.36Å; T503-D522 WeakPolarHBondContact CB-OD1 3.32Å; T503-D522 PolarHBondContact OG1-OD1 3.16Å
504E82.5Confident75Confident81 Ų8171 Ų7138%0.37941%0.406SS..  trans-99.47.8162.8-69.6-161-133.300113L506 L525 N544 A548E504-L506 PolarHBondContact O-N 3.42Å; E504-L525 HydrophobicContact CB-CD2 4.29Å; E504-N544 WeakPolarHBondContact OE1-CB 3.44Å; E504-N544 PolarHBondContact OE1-ND2 3.47Å; E504-N544 WeakPolarHBondContact OE2-CB 3.49Å; E504-A548 WeakPolarHBondContact O-CB 3.03Å
505V85.4Confident76.9Confident6 Ų670.1 Ų70.14%0.03641%0.409CS..  trans-64117175.4173.40000110.9T503 S507 P508 R521 D522 L525T503-V505 HydrophobicContact CG2-CB 4.15Å; T503-V505 WeakPolarHBondContact OG1-CB 3.13Å; T503-V505 VanDerWaalsContact OG1-CG2 3.27Å; T503-V505 WeakPolarHBondContact OG1-CG2 3.37Å; T503-V505 PolarHBondContact OG1-N 3.22Å; V505-S507 PolarHBondContact O-N 2.68Å; V505-P508 HydrophobicContact CG1-CB 4.4Å; V505-P508 WeakPolarHBondContact O-CD 3.45Å; V505-R521 HydrophobicContact CG1-CB 3.93Å; V505-R521 VanDerWaalsContact CG1-NH2 3.34Å; V505-R521 HydrophobicContact CG2-CB 4.11Å; V505-D522 VanDerWaalsContact CG2-CA 3.43Å; V505-D522 HydrophobicContact CG2-CB 3.96Å; V505-L525 HydrophobicContact CB-CD2 4.43Å; V505-L525 HydrophobicContact CG2-CB 4.19Å; V505-L525 HydrophobicContact CG2-CD2 3.68Å
506L86Confident78.6Confident61 Ų6165.4 Ų65.432%0.31938%0.375SS..SBendtrans-67.8131.1176.3-58.1176.7000111.2E504 R521 A548 D549 Y552E504-L506 PolarHBondContact O-N 3.42Å; L506-R521 PolarHBondContact O-NH1 2.72Å; L506-R521 PolarHBondContact O-NH2 2.72Å; L506-A548 HydrophobicContact CG-CB 4.23Å; L506-D549 WeakPolarHBondContact CD1-OD1 3.38Å; L506-Y552 HydrophobicContact CB-CD1 4.15Å; L506-Y552 HydrophobicContact CB-CD2 4.1Å; L506-Y552 HydrophobicContact CB-CG 3.8Å; L506-Y552 HydrophobicContact CD1-CD1 4.07Å; L506-Y552 HydrophobicContact CD1-CG 4.2Å; L506-Y552 WeakPolarHBondContact O-CD2 3.42Å
507S84Confident79.9Confident59 Ų5965.2 Ų65.241%0.41338%0.378SS..SBendtrans50.964.6-175.6-52.60000112.2V505 D509 N510 R521V505-S507 PolarHBondContact O-N 2.68Å; S507-D509 VanDerWaalsContact C-N 3.26Å; S507-D509 PolarHBondContact O-N 3.29Å; S507-N510 WeakPolarHBondContact O-CB 3.37Å; S507-N510 PolarHBondContact O-N 2.97Å; S507-R521 PolarHBondContact O-NH1 3.45Å
508P81.9Confident80.4Confident37 Ų3761.7 Ų61.724%0.2436%0.357CS..THydrogen-bonded Turntrans-60.6-36.5-172.725.4-33.2000112.1W496 A499 T503 V505 N510W496-P508 WeakPolarHBondContact CH2-O 3.27Å; W496-P508 VanDerWaalsContact CZ2-O 3.28Å; W496-P508 WeakPolarHBondContact CZ2-O 3.32Å; A499-P508 HydrophobicContact CB-CB 3.69Å; T503-P508 HydrophobicContact CG2-CB 4.36Å; V505-P508 HydrophobicContact CG1-CB 4.4Å; V505-P508 WeakPolarHBondContact O-CD 3.45Å; P508-N510 PolarHBondContact O-N 2.83Å
509D79.8Confident80.8Confident90 Ų9061.5 Ų61.548%0.48135%0.347SS..THydrogen-bonded Turntrans-72.73.1177.3-57.5-60.5000115.7W496 S507 R511W496-D509 VanDerWaalsContact CH2-CA 3.5Å; W496-D509 HydrophobicContact CH2-CB 4.36Å; W496-D509 WeakPolarHBondContact CH2-OD1 3.37Å; W496-D509 WeakPolarHBondContact CZ3-OD1 3.49Å; S507-D509 VanDerWaalsContact C-N 3.26Å; S507-D509 PolarHBondContact O-N 3.29Å; D509-R511 WeakPolarHBondContact O-CG 3.48Å; D509-R511 PolarHBondContact O-N 3.5Å
510N82.2Confident81.1Confident34 Ų3462.1 Ų62.118%0.18235%0.35CS..  trans-72.4117.7-179.5-169.6-31.6000111.1S507 P508 N512 F555S507-N510 WeakPolarHBondContact O-CB 3.37Å; S507-N510 PolarHBondContact O-N 2.97Å; P508-N510 PolarHBondContact O-N 2.83Å; N510-N512 VanDerWaalsContact OD1-CB 3.25Å; N510-N512 WeakPolarHBondContact OD1-CB 3.27Å; N510-N512 PolarHBondContact OD1-N 2.75Å; N510-N512 PolarHBondContact OD1-ND2 2.93Å; N510-N512 PolarHBondContact OD1-OD1 3.06Å; N510-F555 HydrophobicContact CB-CE1 3.89Å; N510-F555 HydrophobicContact CB-CZ 4.48Å; N510-F555 WeakPolarHBondContact O-CZ 3.47Å
511R82.6Confident81.7Confident142 Ų14259.8 Ų59.854%0.53634%0.335SS..  trans-103.213.5-175.9-54.3-172.7-176.9176.50114.1D509 V513D509-R511 WeakPolarHBondContact O-CG 3.48Å; D509-R511 PolarHBondContact O-N 3.5Å; R511-V513 PolarHBondContact O-N 3.24Å
512N78.6Confident82.5Confident123 Ų12352.3 Ų52.366%0.65830%0.295SS*.  trans-59.8-28.4-176.8-72.6-0.9000113.8N510N510-N512 VanDerWaalsContact OD1-CB 3.25Å; N510-N512 WeakPolarHBondContact OD1-CB 3.27Å; N510-N512 PolarHBondContact OD1-N 2.75Å; N510-N512 PolarHBondContact OD1-ND2 2.93Å; N510-N512 PolarHBondContact OD1-OD1 3.06Å
513V82.2Confident83.1Confident3 Ų348.9 Ų48.92%0.01827%0.27CS..SBendtrans-98.2102.6176.4-171.40000109.6R511 G515 I516 F555 V560R511-V513 PolarHBondContact O-N 3.24Å; V513-G515 PolarHBondContact O-N 2.96Å; V513-I516 HydrophobicContact CB-CD1 4.46Å; V513-I516 HydrophobicContact CG1-CD1 3.84Å; V513-I516 HydrophobicContact CG1-CG1 4.12Å; V513-I516 PolarHBondContact O-N 2.92Å; V513-F555 HydrophobicContact CB-CD2 4.33Å; V513-F555 HydrophobicContact CB-CE2 3.61Å; V513-F555 HydrophobicContact CB-CZ 3.91Å; V513-F555 HydrophobicContact CG2-CD1 4.45Å; V513-F555 HydrophobicContact CG2-CD2 3.79Å; V513-F555 HydrophobicContact CG2-CE1 4.14Å; V513-F555 HydrophobicContact CG2-CE2 3.44Å; V513-F555 VanDerWaalsContact CG2-CE2 3.44Å; V513-F555 HydrophobicContact CG2-CG 4.28Å; V513-F555 HydrophobicContact CG2-CZ 3.64Å; V513-F555 WeakPolarHBondContact CG2-O 3.24Å; V513-V560 VanDerWaalsContact CG1-C 3.41Å
514T77.3Confident83.5Confident103 Ų10348.2 Ų48.263%0.63227%0.266SS*.THydrogen-bonded Turntrans-62.9134178.952.20000111.3A561T514-A561 WeakPolarHBondContact O-CB 3.18Å; T514-A561 PolarHBondContact O-N 3.43Å
515G76.1Confident84Confident58 Ų5844.3 Ų44.360%0.59825%0.248SC*.THydrogen-bonded Turntrans87.617.5-177.200000115.6V513 R565V513-G515 PolarHBondContact O-N 2.96Å; G515-R565 PolarHBondContact O-NH2 3.36Å; G515-R565 VanDerWaalsContact O-NH2 3.08Å
516I80.7Confident84.2Confident10 Ų1047.9 Ų47.95%0.05126%0.264CS..  trans-127.3132.9173.3-62.2-166.4000110.8W496 V513 C520 R521 F555 A561 Y564W496-I516 PolarHBondContact NE1-O 3.39Å; V513-I516 HydrophobicContact CB-CD1 4.46Å; V513-I516 HydrophobicContact CG1-CD1 3.84Å; V513-I516 HydrophobicContact CG1-CG1 4.12Å; V513-I516 PolarHBondContact O-N 2.92Å; I516-C520 HydrophobicContact CG2-CB 4.3Å; I516-R521 HydrophobicContact CG2-CG 3.56Å; I516-F555 HydrophobicContact CG2-CE2 4.24Å; I516-A561 HydrophobicContact CD1-CB 4.09Å; I516-A561 HydrophobicContact CG1-CB 3.64Å; I516-Y564 HydrophobicContact CD1-CD1 3.22Å; I516-Y564 HydrophobicContact CD1-CE1 3.92Å; I516-Y564 HydrophobicContact CD1-CG 3.57Å
517T85.6Confident84.5Confident37 Ų3748 Ų4823%0.22726%0.264CS..  trans-95.9159.517253.90000110.7V497 W519 C520 R521V497-T517 HydrophobicContact CB-CG2 4.46Å; V497-T517 WeakPolarHBondContact O-CB 3.13Å; T517-W519 VanDerWaalsContact C-N 3.29Å; T517-W519 PolarHBondContact O-N 3.18Å; T517-C520 WeakPolarHBondContact O-CB 3.38Å; T517-C520 PolarHBondContact O-N 2.84Å; T517-C520 VanDerWaalsContact O-N 3.17Å; T517-C520 WeakPolarHBondContact OG1-CB 3.21Å; T517-C520 PolarHBondContact OG1-N 3.29Å; T517-R521 PolarHBondContact O-N 3.37Å
518G83.4Confident84.9Confident0 Ų045.2 Ų45.20%025%0.245CC..Hα-helixtrans-59.1-42.8175.100000111.6W496 V497 C520 R521 D522W496-G518 VanDerWaalsContact CZ2-N 3.33Å; V497-G518 PolarHBondContact O-N 3.28Å; G518-C520 VanDerWaalsContact C-N 3.33Å; G518-C520 PolarHBondContact O-N 2.88Å; G518-R521 WeakPolarHBondContact O-CB 3.42Å; G518-R521 PolarHBondContact O-N 3.18Å; G518-R521 VanDerWaalsContact O-N 3.09Å; G518-D522 PolarHBondContact O-N 3.02Å
519W82.9Confident85.3Confident59 Ų5943.6 Ų43.622%0.22323%0.234CC..Hα-helixtrans-56.2-40.9173.2-177.784.4000113.9I426 V497 S498 T517 R521 D522 Q523I426-W519 HydrophobicContact CG2-CH2 4.33Å; I426-W519 HydrophobicContact CG2-CZ3 4.2Å; V497-W519 HydrophobicContact CB-CB 4.14Å; V497-W519 HydrophobicContact CG1-CB 3.86Å; V497-W519 HydrophobicContact CG1-CG 4.3Å; V497-W519 PolarHBondContact O-N 3.03Å; S498-W519 WeakPolarHBondContact O-CB 3.4Å; S498-W519 PolarHBondContact O-N 2.93Å; T517-W519 VanDerWaalsContact C-N 3.29Å; T517-W519 PolarHBondContact O-N 3.18Å; W519-R521 VanDerWaalsContact C-N 3.3Å; W519-R521 PolarHBondContact O-N 3.3Å; W519-D522 PolarHBondContact O-N 3.07Å; W519-Q523 VanDerWaalsContact CH2-OE1 3.26Å; W519-Q523 PolarHBondContact O-N 3.09Å
520C83.5Confident85.8Confident21 Ų2142.9 Ų42.914%0.14224%0.236CC..Hα-helixtrans-65.7-33.4177.31800000111.9I516 T517 G518 T524I516-C520 HydrophobicContact CG2-CB 4.3Å; T517-C520 WeakPolarHBondContact O-CB 3.38Å; T517-C520 PolarHBondContact O-N 2.84Å; T517-C520 VanDerWaalsContact O-N 3.17Å; T517-C520 WeakPolarHBondContact OG1-CB 3.21Å; T517-C520 PolarHBondContact OG1-N 3.29Å; G518-C520 VanDerWaalsContact C-N 3.33Å; G518-C520 PolarHBondContact O-N 2.88Å; C520-T524 WeakPolarHBondContact O-CB 3.28Å; C520-T524 PolarHBondContact O-N 3.07Å; C520-T524 PolarHBondContact O-OG1 3.11Å
521R91.9Very high86.2Confident1 Ų141.6 Ų41.60%0.00423%0.23CC..Hα-helixtrans-69.6-44.1171.8-64.7177.265.2-155-8.3111.7V505 L506 S507 I516 T517 G518 W519 T524 L525 E551 F555 Y564V505-R521 HydrophobicContact CG1-CB 3.93Å; V505-R521 VanDerWaalsContact CG1-NH2 3.34Å; V505-R521 HydrophobicContact CG2-CB 4.11Å; L506-R521 PolarHBondContact O-NH1 2.72Å; L506-R521 PolarHBondContact O-NH2 2.72Å; S507-R521 PolarHBondContact O-NH1 3.45Å; I516-R521 HydrophobicContact CG2-CG 3.56Å; T517-R521 PolarHBondContact O-N 3.37Å; G518-R521 WeakPolarHBondContact O-CB 3.42Å; G518-R521 PolarHBondContact O-N 3.18Å; G518-R521 VanDerWaalsContact O-N 3.09Å; W519-R521 VanDerWaalsContact C-N 3.3Å; W519-R521 PolarHBondContact O-N 3.3Å; R521-T524 PolarHBondContact O-N 3.42Å; R521-T524 VanDerWaalsContact O-N 3.15Å; R521-L525 WeakPolarHBondContact O-CB 3.46Å; R521-L525 PolarHBondContact O-N 3.44Å; R521-E551 IonicContact CZ-OE1 3.77Å; R521-E551 IonicContact CZ-OE2 3.76Å; R521-E551 IonicContact NE-OE1 3.32Å; R521-E551 PolarHBondContact NE-OE1 3.13Å; R521-E551 IonicContact NE-OE2 2.66Å; R521-E551 IonicContact NH2-OE1 3.47Å; R521-E551 IonicContact NH2-OE2 3.37Å; R521-E551 PolarHBondContact NH2-OE2 2.86Å; R521-F555 HydrophobicContact CG-CD2 4.19Å; R521-F555 HydrophobicContact CG-CE2 4.25Å; R521-Y564 WeakPolarHBondContact CA-OH 3.31Å
522D90.4Very high86.6Confident17 Ų1734.9 Ų34.99%0.09121%0.205CC..Hα-helixtrans-58.1-53.2179.4179.876.8000111.1A499 T503 V505 G518 W519 T524 L525 Q526A499-D522 HydrophobicContact CB-CB 4.28Å; T503-D522 WeakPolarHBondContact CB-OD1 3.32Å; T503-D522 PolarHBondContact OG1-OD1 3.16Å; V505-D522 VanDerWaalsContact CG2-CA 3.43Å; V505-D522 HydrophobicContact CG2-CB 3.96Å; G518-D522 PolarHBondContact O-N 3.02Å; W519-D522 PolarHBondContact O-N 3.07Å; D522-T524 VanDerWaalsContact C-N 3.25Å; D522-T524 PolarHBondContact O-N 2.89Å; D522-L525 CarbonylContact O-C 3.55Å; D522-L525 WeakPolarHBondContact O-CA 3.15Å; D522-L525 WeakPolarHBondContact O-CB 3.46Å; D522-L525 PolarHBondContact O-N 3.49Å; D522-Q526 WeakPolarHBondContact O-CG 3.36Å; D522-Q526 PolarHBondContact O-N 3.27Å
523Q87.8Confident87.2Confident57 Ų5731.9 Ų31.927%0.26619%0.186SC..Hα-helixtrans-59-36.3176.5-68.8-177.2-41.200113.3W519 Q526 L527W519-Q523 VanDerWaalsContact CH2-OE1 3.26Å; W519-Q523 PolarHBondContact O-N 3.09Å; Q523-Q526 PolarHBondContact O-N 3.33Å; Q523-L527 WeakPolarHBondContact O-CB 3.14Å; Q523-L527 VanDerWaalsContact O-CG 3.28Å; Q523-L527 WeakPolarHBondContact O-CG 3.42Å; Q523-L527 PolarHBondContact O-N 3.16Å
524T88.5Confident87.5Confident13 Ų1340.8 Ų40.88%0.0823%0.225CC..Hα-helixtrans-70.1-35177.5-53.80000111.6C520 R521 D522 L528 Y564 M568 I572C520-T524 WeakPolarHBondContact O-CB 3.28Å; C520-T524 PolarHBondContact O-N 3.07Å; C520-T524 PolarHBondContact O-OG1 3.11Å; R521-T524 PolarHBondContact O-N 3.42Å; R521-T524 VanDerWaalsContact O-N 3.15Å; D522-T524 VanDerWaalsContact C-N 3.25Å; D522-T524 PolarHBondContact O-N 2.89Å; T524-L528 PolarHBondContact O-N 3.07Å; T524-Y564 HydrophobicContact CG2-CE1 4.03Å; T524-M568 HydrophobicContact CG2-CB 3.45Å; T524-M568 VanDerWaalsContact CG2-CB 3.45Å; T524-M568 HydrophobicContact CG2-CE 3.8Å; T524-M568 HydrophobicContact CG2-CG 3.69Å; T524-I572 HydrophobicContact CG2-CD1 4.26Å
525L92.6Very high87.9Confident0 Ų037.5 Ų37.50%020%0.203CC..Hα-helixtrans-67.3-47170.5175.959.2000111.3E504 V505 R521 D522 L527 L528 I529 C547 A548 E551E504-L525 HydrophobicContact CB-CD2 4.29Å; V505-L525 HydrophobicContact CB-CD2 4.43Å; V505-L525 HydrophobicContact CG2-CB 4.19Å; V505-L525 HydrophobicContact CG2-CD2 3.68Å; R521-L525 WeakPolarHBondContact O-CB 3.46Å; R521-L525 PolarHBondContact O-N 3.44Å; D522-L525 CarbonylContact O-C 3.55Å; D522-L525 WeakPolarHBondContact O-CA 3.15Å; D522-L525 WeakPolarHBondContact O-CB 3.46Å; D522-L525 PolarHBondContact O-N 3.49Å; L525-L527 VanDerWaalsContact C-N 3.27Å; L525-L527 PolarHBondContact O-N 3.18Å; L525-L528 WeakPolarHBondContact O-CA 3.42Å; L525-L528 WeakPolarHBondContact O-CB 3.4Å; L525-L528 PolarHBondContact O-N 3.11Å; L525-I529 HydrophobicContact CD1-CD1 3.85Å; L525-I529 HydrophobicContact CD1-CG1 3.96Å; L525-I529 HydrophobicContact CD2-CD1 4.29Å; L525-I529 HydrophobicContact CG-CD1 3.71Å; L525-I529 HydrophobicContact CG-CG1 4.23Å; L525-I529 WeakPolarHBondContact O-CG1 3.45Å; L525-I529 PolarHBondContact O-N 2.55Å; L525-C547 VanDerWaalsContact CD1-C 3.43Å; L525-C547 HydrophobicContact CD1-CB 3.64Å; L525-C547 WeakPolarHBondContact CD1-O 3.34Å; L525-A548 HydrophobicContact CD1-CB 4.49Å; L525-A548 HydrophobicContact CD2-CB 4.19Å; L525-E551 HydrophobicContact CB-CG 4.38Å; L525-E551 HydrophobicContact CD1-CB 4.13Å
526Q91Very high88.6Confident81 Ų8135.4 Ų35.438%0.37918%0.177SC..Hα-helixtrans-59.8-36.1177.3-63-57.2-16.500112D522 Q523 L528 I529 S530D522-Q526 WeakPolarHBondContact O-CG 3.36Å; D522-Q526 PolarHBondContact O-N 3.27Å; Q523-Q526 PolarHBondContact O-N 3.33Å; Q526-L528 VanDerWaalsContact C-N 3.31Å; Q526-L528 PolarHBondContact O-N 3.29Å; Q526-I529 PolarHBondContact O-N 3.32Å; Q526-S530 WeakPolarHBondContact O-CB 3.41Å; Q526-S530 PolarHBondContact O-N 3.09Å
527L91Very high88.7Confident63 Ų6339.2 Ų39.233%0.3320%0.202SC..Hα-helixtrans-65.3-30.4173.8-75.9168.3000113.5Q523 L525 A531 I572 R576Q523-L527 WeakPolarHBondContact O-CB 3.14Å; Q523-L527 VanDerWaalsContact O-CG 3.28Å; Q523-L527 WeakPolarHBondContact O-CG 3.42Å; Q523-L527 PolarHBondContact O-N 3.16Å; L525-L527 VanDerWaalsContact C-N 3.27Å; L525-L527 PolarHBondContact O-N 3.18Å; L527-A531 WeakPolarHBondContact O-CB 3.47Å; L527-A531 PolarHBondContact O-N 3.39Å; L527-I572 HydrophobicContact CB-CD1 3.92Å; L527-R576 PolarHBondContact O-NH2 3.17Å
528L92.4Very high88.7Confident0 Ų045.4 Ų45.40%023%0.229CC..Hα-helixtrans-78.5-46.7173.4179.961.9000111.4T524 L525 Q526 S530 A531 M532 C547 M568 L571 I572 V575T524-L528 PolarHBondContact O-N 3.07Å; L525-L528 WeakPolarHBondContact O-CA 3.42Å; L525-L528 WeakPolarHBondContact O-CB 3.4Å; L525-L528 PolarHBondContact O-N 3.11Å; Q526-L528 VanDerWaalsContact C-N 3.31Å; Q526-L528 PolarHBondContact O-N 3.29Å; L528-S530 PolarHBondContact O-N 2.73Å; L528-A531 WeakPolarHBondContact O-CB 3.4Å; L528-A531 PolarHBondContact O-N 2.83Å; L528-A531 VanDerWaalsContact O-N 3.13Å; L528-M532 HydrophobicContact CD1-CG 4.46Å; L528-M532 WeakPolarHBondContact O-CG 3.32Å; L528-M532 PolarHBondContact O-N 3.43Å; L528-C547 HydrophobicContact CD2-CB 3.99Å; L528-C547 HydrophobicContact CG-CB 4.19Å; L528-M568 HydrophobicContact CB-CE 4.47Å; L528-M568 HydrophobicContact CD2-CE 4.08Å; L528-L571 HydrophobicContact CD1-CD2 4.15Å; L528-L571 HydrophobicContact CD1-CG 4.02Å; L528-L571 HydrophobicContact CD2-CD2 3.84Å; L528-I572 HydrophobicContact CB-CD1 4.32Å; L528-I572 HydrophobicContact CB-CG1 3.84Å; L528-I572 HydrophobicContact CD1-CG1 4Å; L528-I572 HydrophobicContact CG-CG1 4.5Å; L528-V575 HydrophobicContact CD1-CG2 4.01Å
529I91.6Very high88.5Confident4 Ų449 Ų492%0.02125%0.246CC..Hα-helixtrans-57.3-49176.3-71177.4000110.3L525 Q526 A531 M532 K533 N544 C547L525-I529 HydrophobicContact CD1-CD1 3.85Å; L525-I529 HydrophobicContact CD1-CG1 3.96Å; L525-I529 HydrophobicContact CD2-CD1 4.29Å; L525-I529 HydrophobicContact CG-CD1 3.71Å; L525-I529 HydrophobicContact CG-CG1 4.23Å; L525-I529 WeakPolarHBondContact O-CG1 3.45Å; L525-I529 PolarHBondContact O-N 2.55Å; Q526-I529 PolarHBondContact O-N 3.32Å; I529-A531 VanDerWaalsContact C-N 3.3Å; I529-A531 PolarHBondContact O-N 2.99Å; I529-M532 PolarHBondContact O-N 3.17Å; I529-M532 VanDerWaalsContact O-N 3.16Å; I529-K533 HydrophobicContact CG2-CD 3.92Å; I529-K533 HydrophobicContact CG2-CG 4.21Å; I529-K533 WeakPolarHBondContact O-CB 3.2Å; I529-K533 WeakPolarHBondContact O-CG 3.27Å; I529-K533 PolarHBondContact O-N 3.44Å; I529-N544 HydrophobicContact CD1-CB 4.14Å; I529-N544 WeakPolarHBondContact CG2-OD1 3.3Å; I529-C547 HydrophobicContact CD1-CB 4.39Å; I529-C547 HydrophobicContact CG1-CB 3.58Å
530S90.1Very high88.2Confident74 Ų7451.4 Ų51.452%0.51726%0.259SS..Hα-helixtrans-57.4-40.8175.31750000112.5Q526 L528 K534Q526-S530 WeakPolarHBondContact O-CB 3.41Å; Q526-S530 PolarHBondContact O-N 3.09Å; L528-S530 PolarHBondContact O-N 2.73Å; S530-K534 PolarHBondContact O-N 3.27Å
531A89.9Confident87.9Confident8 Ų854.4 Ų54.47%0.06629%0.286CS..Hα-helixtrans-66.5-39.3176.900000112.4L527 L528 I529 V575 R576L527-A531 WeakPolarHBondContact O-CB 3.47Å; L527-A531 PolarHBondContact O-N 3.39Å; L528-A531 WeakPolarHBondContact O-CB 3.4Å; L528-A531 PolarHBondContact O-N 2.83Å; L528-A531 VanDerWaalsContact O-N 3.13Å; I529-A531 VanDerWaalsContact C-N 3.3Å; I529-A531 PolarHBondContact O-N 2.99Å; A531-V575 HydrophobicContact CB-CB 4.2Å; A531-V575 HydrophobicContact CB-CG1 3.61Å; A531-R576 HydrophobicContact CB-CG 3.77Å
532M91.6Very high87.5Confident0 Ų056.8 Ų56.80%030%0.298CS..Hα-helixtrans-73.5-44.2178.6-72.5-66.4-7300112.7L528 I529 K534 I535 F536 L543 V575 V585 W586 V589L528-M532 HydrophobicContact CD1-CG 4.46Å; L528-M532 WeakPolarHBondContact O-CG 3.32Å; L528-M532 PolarHBondContact O-N 3.43Å; I529-M532 PolarHBondContact O-N 3.17Å; I529-M532 VanDerWaalsContact O-N 3.16Å; M532-K534 PolarHBondContact O-N 2.9Å; M532-I535 PolarHBondContact O-N 2.75Å; M532-F536 HydrophobicContact CE-CD2 3.9Å; M532-F536 HydrophobicContact CE-CE2 3.82Å; M532-F536 PolarHBondContact O-N 3.26Å; M532-F536 HydrophobicContact SD-CD2 4.49Å; M532-F536 HydrophobicContact SD-CE2 4.36Å; M532-L543 HydrophobicContact CB-CD1 4.21Å; M532-L543 HydrophobicContact CB-CD2 4.01Å; M532-L543 HydrophobicContact CE-CD2 3.69Å; M532-V575 HydrophobicContact CG-CG1 4.14Å; M532-V575 HydrophobicContact SD-CB 4.5Å; M532-V575 HydrophobicContact SD-CG1 3.69Å; M532-V575 HydrophobicContact SD-CG2 3.88Å; M532-V585 HydrophobicContact CE-CG1 4.33Å; M532-V585 HydrophobicContact SD-CG1 3.59Å; M532-V585 VanDerWaalsContact SD-CG1 3.59Å; M532-W586 HydrophobicContact CE-CE3 4.36Å; M532-V589 HydrophobicContact CE-CB 4.36Å; M532-V589 HydrophobicContact CE-CG2 4Å; M532-V589 HydrophobicContact CG-CG2 4.48Å; M532-V589 HydrophobicContact SD-CG2 3.73Å
533K90.1Very high87.5Confident61 Ų6156 Ų5627%0.26529%0.294SS..Hα-helixtrans-57.8-33.2177.2-73.4-175.8-175.3-174.40112.1I529 I535 P537 E540 L543 N544I529-K533 HydrophobicContact CG2-CD 3.92Å; I529-K533 HydrophobicContact CG2-CG 4.21Å; I529-K533 WeakPolarHBondContact O-CB 3.2Å; I529-K533 WeakPolarHBondContact O-CG 3.27Å; I529-K533 PolarHBondContact O-N 3.44Å; K533-I535 PolarHBondContact O-N 2.71Å; K533-P537 WeakPolarHBondContact O-CA 3.31Å; K533-E540 HydrophobicContact CD-CG 3.99Å; K533-E540 WeakPolarHBondContact CE-OE1 3.49Å; K533-E540 HydrophobicContact CG-CG 4.47Å; K533-E540 IonicContact NZ-OE1 2.64Å; K533-E540 PolarHBondContact NZ-OE1 2.79Å; K533-L543 HydrophobicContact CG-CD1 3.94Å; K533-N544 WeakPolarHBondContact CE-OD1 3.25Å; K533-N544 PolarHBondContact NZ-OD1 3.25Å
534K88.6Confident87.5Confident190 Ų19054.4 Ų54.483%0.82629%0.287SS*.THydrogen-bonded Turntrans-65.7-17.3174.6-172.4165.8177.81710114.4S530 M532S530-K534 PolarHBondContact O-N 3.27Å; M532-K534 PolarHBondContact O-N 2.9Å
535I87.3Confident87.5Confident34 Ų3459.3 Ų59.317%0.17431%0.308CS..THydrogen-bonded Turntrans-108.4-30.7-179-58.6174.4000111.6M532 K533 V575 K582 V585M532-I535 PolarHBondContact O-N 2.75Å; K533-I535 PolarHBondContact O-N 2.71Å; I535-V575 HydrophobicContact CD1-CG1 3.84Å; I535-V575 VanDerWaalsContact CD1-O 3.29Å; I535-V575 WeakPolarHBondContact CD1-O 3.46Å; I535-K582 HydrophobicContact CG2-CD 4.3Å; I535-K582 HydrophobicContact CG2-CG 3.93Å; I535-K582 PolarHBondContact O-NZ 2.86Å; I535-V585 HydrophobicContact CD1-CG1 4.19Å; I535-V585 HydrophobicContact CD1-CG2 4.41Å
536F89.2Confident87.4Confident14 Ų1460 Ų606%0.06131%0.311CS..  trans-132.663.2-174.9-55.3-83.3000112M532 E538 H539 L543 K582 V585 W586M532-F536 HydrophobicContact CE-CD2 3.9Å; M532-F536 HydrophobicContact CE-CE2 3.82Å; M532-F536 PolarHBondContact O-N 3.26Å; M532-F536 HydrophobicContact SD-CD2 4.49Å; M532-F536 HydrophobicContact SD-CE2 4.36Å; F536-E538 PolarHBondContact O-N 3.46Å; F536-E538 VanDerWaalsContact O-N 3.16Å; F536-H539 PolarHBondContact O-N 3.32Å; F536-L543 HydrophobicContact CB-CD1 4.06Å; F536-L543 HydrophobicContact CB-CD2 4.33Å; F536-L543 HydrophobicContact CD2-CD2 4.5Å; F536-L543 VanDerWaalsContact O-CD1 3.3Å; F536-L543 WeakPolarHBondContact O-CD1 3.34Å; F536-K582 HydrophobicContact CE1-CB 3.94Å; F536-K582 HydrophobicContact CE1-CD 4.27Å; F536-K582 HydrophobicContact CE1-CG 4.45Å; F536-K582 HydrophobicContact CZ-CB 3.94Å; F536-K582 WeakPolarHBondContact CZ-O 3.17Å; F536-V585 HydrophobicContact CE2-CB 4.27Å; F536-V585 HydrophobicContact CE2-CG1 3.97Å; F536-V585 HydrophobicContact CZ-CB 4.48Å; F536-W586 HydrophobicContact CD1-CE3 4.35Å; F536-W586 HydrophobicContact CD2-CE3 4.45Å; F536-W586 HydrophobicContact CE1-CE3 4.2Å; F536-W586 HydrophobicContact CE2-CE3 4.31Å; F536-W586 HydrophobicContact CG-CE3 4.46Å; F536-W586 HydrophobicContact CZ-CB 3.99Å; F536-W586 HydrophobicContact CZ-CE3 4.18Å
537P84.1Confident87.5Confident89 Ų8956.1 Ų56.158%0.57829%0.293SS*.G310 helixtrans-59.7-28.7-176.823.7-33.8000113.4K533 H539K533-P537 WeakPolarHBondContact O-CA 3.31Å; P537-H539 VanDerWaalsContact C-N 3.28Å; P537-H539 PolarHBondContact O-N 2.75Å
538E84.1Confident87.6Confident168 Ų16853.2 Ų53.279%0.78528%0.278SS*.G310 helixtrans-76.9-1.6-173.4-63.3168.7-112.600115.1F536F536-E538 PolarHBondContact O-N 3.46Å; F536-E538 VanDerWaalsContact O-N 3.16Å
539H79.2Confident87.5Confident75 Ų7555 Ų5535%0.34729%0.287SS..G310 helixtrans-125.929-171.1-67.2-15.5000113.6F536 P537 A541 L542 L543F536-H539 PolarHBondContact O-N 3.32Å; P537-H539 VanDerWaalsContact C-N 3.28Å; P537-H539 PolarHBondContact O-N 2.75Å; H539-A541 PolarHBondContact O-N 2.83Å; H539-L542 HydrophobicContact CB-CB 4.45Å; H539-L542 WeakPolarHBondContact O-CB 3.2Å; H539-L542 PolarHBondContact O-N 3.43Å; H539-L543 HydrophobicContact CB-CG 4.25Å; H539-L543 WeakPolarHBondContact O-CG 3.16Å; H539-L543 PolarHBondContact O-N 2.99Å
540E77Confident87.6Confident109 Ų10954.8 Ų54.851%0.50929%0.286SS..Hα-helixtrans-48.9-54-166-154-178.5-17600115.3K533 L542 L543 N544K533-E540 HydrophobicContact CD-CG 3.99Å; K533-E540 WeakPolarHBondContact CE-OE1 3.49Å; K533-E540 HydrophobicContact CG-CG 4.47Å; K533-E540 IonicContact NZ-OE1 2.64Å; K533-E540 PolarHBondContact NZ-OE1 2.79Å; E540-L542 VanDerWaalsContact C-N 3.33Å; E540-L542 PolarHBondContact O-N 3.3Å; E540-L543 WeakPolarHBondContact O-CB 3.32Å; E540-L543 PolarHBondContact O-N 3.15Å; E540-N544 PolarHBondContact O-N 3.44Å; E540-N544 VanDerWaalsContact O-N 3.12Å; E540-N544 PolarHBondContact O-OD1 2.84Å
541A77Confident87.7Confident85 Ų8551.2 Ų51.270%0.70226%0.262SS*.Hα-helixtrans-68.5-29.2-179.600000113.7H539H539-A541 PolarHBondContact O-N 2.83Å
542L84.6Confident87.9Confident51 Ų5152.9 Ų52.927%0.26727%0.267SS..Hα-helixtrans-74.9-36.3175.4-17863.5000110.8H539 E540 L546 W586 L660H539-L542 HydrophobicContact CB-CB 4.45Å; H539-L542 WeakPolarHBondContact O-CB 3.2Å; H539-L542 PolarHBondContact O-N 3.43Å; E540-L542 VanDerWaalsContact C-N 3.33Å; E540-L542 PolarHBondContact O-N 3.3Å; L542-L546 VanDerWaalsContact O-CB 3.29Å; L542-L546 WeakPolarHBondContact O-CB 3.43Å; L542-L546 PolarHBondContact O-N 3.21Å; L542-W586 HydrophobicContact CD2-CH2 3.72Å; L542-W586 HydrophobicContact CD2-CZ2 4.11Å; L542-W586 HydrophobicContact CG-CH2 4.03Å; L542-L660 HydrophobicContact CD1-CD1 3.73Å
543L89.1Confident87.8Confident0 Ų053.1 Ų53.10%027%0.268CS..Hα-helixtrans-66.6-46.9178-76.3-179.5000113.3M532 K533 F536 H539 E540 K545 L546 C547 W586M532-L543 HydrophobicContact CB-CD1 4.21Å; M532-L543 HydrophobicContact CB-CD2 4.01Å; M532-L543 HydrophobicContact CE-CD2 3.69Å; K533-L543 HydrophobicContact CG-CD1 3.94Å; F536-L543 HydrophobicContact CB-CD1 4.06Å; F536-L543 HydrophobicContact CB-CD2 4.33Å; F536-L543 HydrophobicContact CD2-CD2 4.5Å; F536-L543 VanDerWaalsContact O-CD1 3.3Å; F536-L543 WeakPolarHBondContact O-CD1 3.34Å; H539-L543 HydrophobicContact CB-CG 4.25Å; H539-L543 WeakPolarHBondContact O-CG 3.16Å; H539-L543 PolarHBondContact O-N 2.99Å; E540-L543 WeakPolarHBondContact O-CB 3.32Å; E540-L543 PolarHBondContact O-N 3.15Å; L543-K545 VanDerWaalsContact C-N 3.33Å; L543-K545 PolarHBondContact O-N 3.26Å; L543-L546 PolarHBondContact O-N 2.68Å; L543-C547 WeakPolarHBondContact O-CB 3.33Å; L543-C547 PolarHBondContact O-N 2.66Å; L543-C547 PolarHBondContact O-SG 2.87Å; L543-W586 HydrophobicContact CD2-CE3 4.41Å; L543-W586 HydrophobicContact CD2-CH2 4.47Å; L543-W586 HydrophobicContact CD2-CZ3 3.67Å
544N88Confident87.8Confident23 Ų2350.6 Ų50.612%0.12326%0.257CS..Hα-helixtrans-58.4-49.6-176.3-62.4-5.8000110E504 I529 K533 E540 L546 C547 A548E504-N544 WeakPolarHBondContact OE1-CB 3.44Å; E504-N544 PolarHBondContact OE1-ND2 3.47Å; E504-N544 WeakPolarHBondContact OE2-CB 3.49Å; I529-N544 HydrophobicContact CD1-CB 4.14Å; I529-N544 WeakPolarHBondContact CG2-OD1 3.3Å; K533-N544 WeakPolarHBondContact CE-OD1 3.25Å; K533-N544 PolarHBondContact NZ-OD1 3.25Å; E540-N544 PolarHBondContact O-N 3.44Å; E540-N544 VanDerWaalsContact O-N 3.12Å; E540-N544 PolarHBondContact O-OD1 2.84Å; N544-L546 PolarHBondContact O-N 3.41Å; N544-C547 PolarHBondContact O-N 3.25Å; N544-A548 WeakPolarHBondContact O-CB 3.41Å; N544-A548 PolarHBondContact O-N 3.49Å
545K88.6Confident88Confident117 Ų11741.6 Ų41.651%0.50922%0.218SC..Hα-helixtrans-57.8-48.2173.5-177.6176.6178.1-179.10112.9L543 C547 A548 D549L543-K545 VanDerWaalsContact C-N 3.33Å; L543-K545 PolarHBondContact O-N 3.26Å; K545-C547 VanDerWaalsContact C-N 3.25Å; K545-C547 PolarHBondContact O-N 3.08Å; K545-A548 PolarHBondContact O-N 3.06Å; K545-A548 VanDerWaalsContact O-N 3.13Å; K545-D549 WeakPolarHBondContact CE-OD2 3.12Å; K545-D549 PolarHBondContact O-N 3.14Å
546L91.6Very high88.1Confident14 Ų1446 Ų467%0.07324%0.236CC..Hα-helixtrans-59.4-37.9179.8-171.772.5000111.9L542 L543 N544 A550 W586 V589 K590 A593L542-L546 VanDerWaalsContact O-CB 3.29Å; L542-L546 WeakPolarHBondContact O-CB 3.43Å; L542-L546 PolarHBondContact O-N 3.21Å; L543-L546 PolarHBondContact O-N 2.68Å; N544-L546 PolarHBondContact O-N 3.41Å; L546-A550 WeakPolarHBondContact O-CB 3.47Å; L546-A550 PolarHBondContact O-N 2.9Å; L546-W586 HydrophobicContact CD2-CD2 4.34Å; L546-W586 HydrophobicContact CD2-CE3 4.28Å; L546-W586 HydrophobicContact CD2-CH2 3.92Å; L546-W586 HydrophobicContact CD2-CZ2 3.98Å; L546-W586 HydrophobicContact CD2-CZ3 4.08Å; L546-V589 HydrophobicContact CD2-CG1 4.31Å; L546-V589 HydrophobicContact CG-CG1 4.1Å; L546-K590 HydrophobicContact CD1-CB 4.12Å; L546-K590 HydrophobicContact CD1-CG 4.29Å; L546-A593 HydrophobicContact CD1-CB 3.92Å
547C92.8Very high88Confident0 Ų048.3 Ų48.30%025%0.247CC..Hα-helixtrans-72.1-37.7176-63.50000111.9L525 L528 I529 L543 N544 K545 A550 E551L525-C547 VanDerWaalsContact CD1-C 3.43Å; L525-C547 HydrophobicContact CD1-CB 3.64Å; L525-C547 WeakPolarHBondContact CD1-O 3.34Å; L528-C547 HydrophobicContact CD2-CB 3.99Å; L528-C547 HydrophobicContact CG-CB 4.19Å; I529-C547 HydrophobicContact CD1-CB 4.39Å; I529-C547 HydrophobicContact CG1-CB 3.58Å; L543-C547 WeakPolarHBondContact O-CB 3.33Å; L543-C547 PolarHBondContact O-N 2.66Å; L543-C547 PolarHBondContact O-SG 2.87Å; N544-C547 PolarHBondContact O-N 3.25Å; K545-C547 VanDerWaalsContact C-N 3.25Å; K545-C547 PolarHBondContact O-N 3.08Å; C547-A550 PolarHBondContact O-N 3.17Å; C547-E551 WeakPolarHBondContact O-CB 3.21Å; C547-E551 PolarHBondContact O-N 2.86Å
548A92.2Very high88.2Confident2 Ų244.5 Ų44.52%0.01722%0.223CC..Hα-helixtrans-67.3-45.2177.200000112.4E504 L506 L525 N544 K545 A550 E551 Y552E504-A548 WeakPolarHBondContact O-CB 3.03Å; L506-A548 HydrophobicContact CG-CB 4.23Å; L525-A548 HydrophobicContact CD1-CB 4.49Å; L525-A548 HydrophobicContact CD2-CB 4.19Å; N544-A548 WeakPolarHBondContact O-CB 3.41Å; N544-A548 PolarHBondContact O-N 3.49Å; K545-A548 PolarHBondContact O-N 3.06Å; K545-A548 VanDerWaalsContact O-N 3.13Å; A548-A550 VanDerWaalsContact C-N 3.31Å; A548-A550 PolarHBondContact O-N 3.43Å; A548-E551 PolarHBondContact O-N 3.26Å; A548-Y552 WeakPolarHBondContact O-CB 3.44Å; A548-Y552 PolarHBondContact O-N 3.19Å
549D91.6Very high88.1Confident36 Ų3644.9 Ų44.919%0.19322%0.221CC..Hα-helixtrans-58.8-42.6172.6-77.6-38000110.7L506 K545 V553 A593 L596L506-D549 WeakPolarHBondContact CD1-OD1 3.38Å; K545-D549 WeakPolarHBondContact CE-OD2 3.12Å; K545-D549 PolarHBondContact O-N 3.14Å; D549-V553 WeakPolarHBondContact O-CG2 3.21Å; D549-V553 PolarHBondContact O-N 3.47Å; D549-A593 HydrophobicContact CB-CB 3.63Å; D549-L596 HydrophobicContact CB-CD1 4.02Å
550A92.5Very high88.2Confident0 Ų044.8 Ų44.80%023%0.226CC..Hα-helixtrans-70-41.7177.800000113.7L546 C547 A548 Y552 V553 L554 V589 K592L546-A550 WeakPolarHBondContact O-CB 3.47Å; L546-A550 PolarHBondContact O-N 2.9Å; C547-A550 PolarHBondContact O-N 3.17Å; A548-A550 VanDerWaalsContact C-N 3.31Å; A548-A550 PolarHBondContact O-N 3.43Å; A550-Y552 VanDerWaalsContact C-N 3.33Å; A550-V553 PolarHBondContact O-N 3Å; A550-L554 WeakPolarHBondContact O-CG 3.47Å; A550-L554 PolarHBondContact O-N 3.26Å; A550-L554 VanDerWaalsContact O-N 3.12Å; A550-V589 HydrophobicContact CB-CG1 3.81Å; A550-K592 HydrophobicContact CB-CB 4.03Å
551E93.8Very high88.3Confident0 Ų040.3 Ų40.30%021%0.208CC..Hα-helixtrans-59.9-45.5174.1-174.9-79.916000110.6R521 L525 C547 A548 V553 L554 F555 Y564 M568R521-E551 IonicContact CZ-OE1 3.77Å; R521-E551 IonicContact CZ-OE2 3.76Å; R521-E551 IonicContact NE-OE1 3.32Å; R521-E551 PolarHBondContact NE-OE1 3.13Å; R521-E551 IonicContact NE-OE2 2.66Å; R521-E551 IonicContact NH2-OE1 3.47Å; R521-E551 IonicContact NH2-OE2 3.37Å; R521-E551 PolarHBondContact NH2-OE2 2.86Å; L525-E551 HydrophobicContact CB-CG 4.38Å; L525-E551 HydrophobicContact CD1-CB 4.13Å; C547-E551 WeakPolarHBondContact O-CB 3.21Å; C547-E551 PolarHBondContact O-N 2.86Å; A548-E551 PolarHBondContact O-N 3.26Å; E551-V553 VanDerWaalsContact C-N 3.32Å; E551-V553 PolarHBondContact O-N 3.12Å; E551-L554 CarbonylContact O-C 3.59Å; E551-L554 PolarHBondContact O-N 3.41Å; E551-L554 VanDerWaalsContact O-N 3.14Å; E551-F555 WeakPolarHBondContact O-CB 3.37Å; E551-F555 PolarHBondContact O-N 3.02Å; E551-Y564 HydrophobicContact CG-CE2 4.26Å; E551-Y564 WeakPolarHBondContact OE1-CE2 3.43Å; E551-Y564 VanDerWaalsContact OE1-CZ 3.27Å; E551-Y564 PolarHBondContact OE1-OH 3.25Å; E551-M568 HydrophobicContact CB-CE 3.9Å; E551-M568 HydrophobicContact CB-SD 4.28Å; E551-M568 HydrophobicContact CG-CE 3.65Å; E551-M568 HydrophobicContact CG-SD 4.08Å
552Y92.4Very high88Confident43 Ų4339.3 Ų39.317%0.16920%0.199CC..Hα-helixtrans-66.2-34.5-176.4-175.9-126.8000112.6L506 A548 A550 K556 L596L506-Y552 HydrophobicContact CB-CD1 4.15Å; L506-Y552 HydrophobicContact CB-CD2 4.1Å; L506-Y552 HydrophobicContact CB-CG 3.8Å; L506-Y552 HydrophobicContact CD1-CD1 4.07Å; L506-Y552 HydrophobicContact CD1-CG 4.2Å; L506-Y552 WeakPolarHBondContact O-CD2 3.42Å; A548-Y552 WeakPolarHBondContact O-CB 3.44Å; A548-Y552 PolarHBondContact O-N 3.19Å; A550-Y552 VanDerWaalsContact C-N 3.33Å; Y552-K556 WeakPolarHBondContact O-CB 3.39Å; Y552-K556 PolarHBondContact O-N 2.89Å; Y552-L596 HydrophobicContact CD1-CD1 4.09Å; Y552-L596 HydrophobicContact CD1-CD2 4.17Å; Y552-L596 HydrophobicContact CE1-CD2 4.47Å
553V90.2Very high87.7Confident5 Ų538.8 Ų38.83%0.0320%0.196CC..Hα-helixtrans-64.7-49.8170.2170.20000110.9D549 A550 E551 F555 K556 E557 K592 I595 L596D549-V553 WeakPolarHBondContact O-CG2 3.21Å; D549-V553 PolarHBondContact O-N 3.47Å; A550-V553 PolarHBondContact O-N 3Å; E551-V553 VanDerWaalsContact C-N 3.32Å; E551-V553 PolarHBondContact O-N 3.12Å; V553-F555 VanDerWaalsContact C-N 3.26Å; V553-F555 PolarHBondContact O-N 3.24Å; V553-K556 PolarHBondContact O-N 3.14Å; V553-E557 HydrophobicContact CG1-CG 4.16Å; V553-E557 WeakPolarHBondContact O-CB 3.46Å; V553-E557 VanDerWaalsContact O-CG 3.29Å; V553-E557 WeakPolarHBondContact O-CG 3.44Å; V553-E557 PolarHBondContact O-N 3.42Å; V553-K592 WeakPolarHBondContact CG2-O 3.49Å; V553-I595 HydrophobicContact CG1-CB 4.21Å; V553-I595 HydrophobicContact CG1-CD1 4.09Å; V553-I595 HydrophobicContact CG1-CG2 4.17Å; V553-I595 HydrophobicContact CG2-CB 4.3Å; V553-L596 HydrophobicContact CG2-CD1 4.05Å; V553-L596 HydrophobicContact CG2-CD2 3.58Å; V553-L596 HydrophobicContact CG2-CG 3.46Å; V553-L596 VanDerWaalsContact CG2-CG 3.46Å
554L90.9Very high87.7Confident7 Ų738.8 Ų38.84%0.03720%0.196CC..Hα-helixtrans-64.7-30.8179.9-65.7-180000112.6A550 E551 S558 R567 M568 L571 K592A550-L554 WeakPolarHBondContact O-CG 3.47Å; A550-L554 PolarHBondContact O-N 3.26Å; A550-L554 VanDerWaalsContact O-N 3.12Å; E551-L554 CarbonylContact O-C 3.59Å; E551-L554 PolarHBondContact O-N 3.41Å; E551-L554 VanDerWaalsContact O-N 3.14Å; L554-S558 WeakPolarHBondContact O-CB 3.45Å; L554-S558 PolarHBondContact O-N 3.38Å; L554-S558 PolarHBondContact O-OG 2.98Å; L554-R567 HydrophobicContact CD2-CB 4.27Å; L554-M568 HydrophobicContact CB-SD 4.09Å; L554-M568 HydrophobicContact CD1-SD 3.66Å; L554-M568 HydrophobicContact CG-SD 4.48Å; L554-L571 HydrophobicContact CD1-CB 4.39Å; L554-L571 HydrophobicContact CD1-CD2 3.89Å; L554-K592 HydrophobicContact CD2-CD 4.02Å; L554-K592 HydrophobicContact CD2-CG 4.39Å
555F91.7Very high87.6Confident2 Ų240.8 Ų40.81%0.00920%0.202CC..Hα-helixtrans-66.9-52.7169.6-176.4-98.1000112N510 V513 I516 R521 E551 V553 E557 S558 Y564N510-F555 HydrophobicContact CB-CE1 3.89Å; N510-F555 HydrophobicContact CB-CZ 4.48Å; N510-F555 WeakPolarHBondContact O-CZ 3.47Å; V513-F555 HydrophobicContact CB-CD2 4.33Å; V513-F555 HydrophobicContact CB-CE2 3.61Å; V513-F555 HydrophobicContact CB-CZ 3.91Å; V513-F555 HydrophobicContact CG2-CD1 4.45Å; V513-F555 HydrophobicContact CG2-CD2 3.79Å; V513-F555 HydrophobicContact CG2-CE1 4.14Å; V513-F555 HydrophobicContact CG2-CE2 3.44Å; V513-F555 VanDerWaalsContact CG2-CE2 3.44Å; V513-F555 HydrophobicContact CG2-CG 4.28Å; V513-F555 HydrophobicContact CG2-CZ 3.64Å; V513-F555 WeakPolarHBondContact CG2-O 3.24Å; I516-F555 HydrophobicContact CG2-CE2 4.24Å; R521-F555 HydrophobicContact CG-CD2 4.19Å; R521-F555 HydrophobicContact CG-CE2 4.25Å; E551-F555 WeakPolarHBondContact O-CB 3.37Å; E551-F555 PolarHBondContact O-N 3.02Å; V553-F555 VanDerWaalsContact C-N 3.26Å; V553-F555 PolarHBondContact O-N 3.24Å; F555-E557 VanDerWaalsContact C-N 3.3Å; F555-E557 PolarHBondContact O-N 3.48Å; F555-S558 WeakPolarHBondContact O-CB 3.38Å; F555-S558 PolarHBondContact O-N 2.82Å; F555-Y564 HydrophobicContact CB-CD2 4.01Å; F555-Y564 HydrophobicContact CB-CE2 3.85Å; F555-Y564 AromaticContact CD2-CD2 3.96Å; F555-Y564 HydrophobicContact CD2-CD2 3.96Å; F555-Y564 AromaticContact CD2-CE2 3.95Å; F555-Y564 HydrophobicContact CD2-CE2 3.95Å; F555-Y564 HydrophobicContact CG-CD2 4.5Å; F555-Y564 HydrophobicContact CG-CE2 4.41Å
556K89.1Confident87Confident127 Ų12736.1 Ų36.155%0.55218%0.183SC*.Hα-helixtrans-66.6-28.9-178.5-172.5174.5-179.9177.20113.4Y552 V553 S558Y552-K556 WeakPolarHBondContact O-CB 3.39Å; Y552-K556 PolarHBondContact O-N 2.89Å; V553-K556 PolarHBondContact O-N 3.14Å; K556-S558 VanDerWaalsContact C-N 3.28Å
557E87Confident86.7Confident62 Ų6237.8 Ų37.829%0.2919%0.188SC..THydrogen-bonded Turntrans-78.8-7.4172.5-69.2-179.4165.900113.3V553 F555 M563 R567 K592V553-E557 HydrophobicContact CG1-CG 4.16Å; V553-E557 WeakPolarHBondContact O-CB 3.46Å; V553-E557 VanDerWaalsContact O-CG 3.29Å; V553-E557 WeakPolarHBondContact O-CG 3.44Å; V553-E557 PolarHBondContact O-N 3.42Å; F555-E557 VanDerWaalsContact C-N 3.3Å; F555-E557 PolarHBondContact O-N 3.48Å; E557-M563 WeakPolarHBondContact O-CE 3.39Å; E557-R567 PolarHBondContact O-NH1 3.27Å; E557-K592 IonicContact OE2-NZ 2.74Å; E557-K592 PolarHBondContact OE2-NZ 3.08Å
558S88.1Confident86.7Confident9 Ų937.8 Ų37.86%0.06319%0.188CC..  trans-94.8139.1-178.2-68.70000112.5L554 F555 K556 Y564L554-S558 WeakPolarHBondContact O-CB 3.45Å; L554-S558 PolarHBondContact O-N 3.38Å; L554-S558 PolarHBondContact O-OG 2.98Å; F555-S558 WeakPolarHBondContact O-CB 3.38Å; F555-S558 PolarHBondContact O-N 2.82Å; K556-S558 VanDerWaalsContact C-N 3.28Å; S558-Y564 VanDerWaalsContact OG-CA 3.27Å; S558-Y564 WeakPolarHBondContact OG-CA 3.13Å; S558-Y564 PolarHBondContact OG-N 3.21Å
559K83.3Confident86.4Confident175 Ų17538.1 Ų38.176%0.76119%0.191SC*.SBendtrans-103.7-20.1179.5-61.8-175.3-179.91800113.5M563K559-M563 HydrophobicContact CB-CE 4.37Å; K559-M563 HydrophobicContact CG-CE 4.26Å
560V81.8Confident86.1Confident74 Ų7440 Ų4045%0.44820%0.196SC..SBendtrans-148.2152.5-177.1-670000110V513 A562 M563 Y564V513-V560 VanDerWaalsContact CG1-C 3.41Å; V560-A562 PolarHBondContact O-N 2.96Å; V560-A562 VanDerWaalsContact O-N 3.14Å; V560-M563 HydrophobicContact CG2-CB 4.1Å; V560-M563 PolarHBondContact O-N 3.1Å; V560-Y564 PolarHBondContact O-N 2.74Å
561A78.3Confident85.9Confident14 Ų1440.8 Ų40.812%0.11620%0.2CC..Hα-helixtrans-52.9-37.6-17600000114.6T514 I516 M563 Y564 R565T514-A561 WeakPolarHBondContact O-CB 3.18Å; T514-A561 PolarHBondContact O-N 3.43Å; I516-A561 HydrophobicContact CD1-CB 4.09Å; I516-A561 HydrophobicContact CG1-CB 3.64Å; A561-M563 PolarHBondContact O-N 3.35Å; A561-Y564 PolarHBondContact O-N 3.21Å; A561-R565 WeakPolarHBondContact O-CG 3.19Å; A561-R565 PolarHBondContact O-N 3.18Å; A561-R565 VanDerWaalsContact O-N 3.08Å
562A69.9Low85.8Confident64 Ų6441.4 Ų41.453%0.52920%0.203SC..Hα-helixtrans-60.9-43.9178.900000112.3V560 Y564 R565 T566V560-A562 PolarHBondContact O-N 2.96Å; V560-A562 VanDerWaalsContact O-N 3.14Å; A562-Y564 PolarHBondContact O-N 3.48Å; A562-R565 PolarHBondContact O-N 2.71Å; A562-T566 PolarHBondContact O-N 2.85Å; A562-T566 PolarHBondContact O-OG1 3.36Å
563M79.9Confident85.4Confident41 Ų4140.8 Ų40.820%0.20220%0.204CC..Hα-helixtrans-67.1-37-176.9-165.3159.881.600111.9E557 K559 V560 A561 R567E557-M563 WeakPolarHBondContact O-CE 3.39Å; K559-M563 HydrophobicContact CB-CE 4.37Å; K559-M563 HydrophobicContact CG-CE 4.26Å; V560-M563 HydrophobicContact CG2-CB 4.1Å; V560-M563 PolarHBondContact O-N 3.1Å; A561-M563 PolarHBondContact O-N 3.35Å; M563-R567 VanDerWaalsContact O-CB 3.31Å; M563-R567 WeakPolarHBondContact O-CB 3.44Å; M563-R567 WeakPolarHBondContact O-CG 3.29Å; M563-R567 PolarHBondContact O-N 3.28Å; M563-R567 PolarHBondContact SD-NH2 3.02Å
564Y88.7Confident85.3Confident0 Ų043.2 Ų43.20%021%0.214CC..Hα-helixtrans-62.7-51.5171.2170.8-95.4000111.7I516 R521 T524 E551 F555 S558 V560 A561 A562 T566 R567 M568I516-Y564 HydrophobicContact CD1-CD1 3.22Å; I516-Y564 HydrophobicContact CD1-CE1 3.92Å; I516-Y564 HydrophobicContact CD1-CG 3.57Å; R521-Y564 WeakPolarHBondContact CA-OH 3.31Å; T524-Y564 HydrophobicContact CG2-CE1 4.03Å; E551-Y564 HydrophobicContact CG-CE2 4.26Å; E551-Y564 WeakPolarHBondContact OE1-CE2 3.43Å; E551-Y564 VanDerWaalsContact OE1-CZ 3.27Å; E551-Y564 PolarHBondContact OE1-OH 3.25Å; F555-Y564 HydrophobicContact CB-CD2 4.01Å; F555-Y564 HydrophobicContact CB-CE2 3.85Å; F555-Y564 AromaticContact CD2-CD2 3.96Å; F555-Y564 HydrophobicContact CD2-CD2 3.96Å; F555-Y564 AromaticContact CD2-CE2 3.95Å; F555-Y564 HydrophobicContact CD2-CE2 3.95Å; F555-Y564 HydrophobicContact CG-CD2 4.5Å; F555-Y564 HydrophobicContact CG-CE2 4.41Å; S558-Y564 VanDerWaalsContact OG-CA 3.27Å; S558-Y564 WeakPolarHBondContact OG-CA 3.13Å; S558-Y564 PolarHBondContact OG-N 3.21Å; V560-Y564 PolarHBondContact O-N 2.74Å; A561-Y564 PolarHBondContact O-N 3.21Å; A562-Y564 PolarHBondContact O-N 3.48Å; Y564-T566 PolarHBondContact O-N 3.42Å; Y564-R567 PolarHBondContact O-N 3.12Å; Y564-R567 VanDerWaalsContact O-N 3.17Å; Y564-M568 HydrophobicContact CD1-CG 4.41Å; Y564-M568 HydrophobicContact CD2-CG 4.02Å; Y564-M568 HydrophobicContact CE1-CG 4.06Å; Y564-M568 HydrophobicContact CE2-CG 3.64Å; Y564-M568 HydrophobicContact CE2-SD 4.36Å; Y564-M568 HydrophobicContact CG-CG 4.44Å; Y564-M568 PolarHBondContact O-N 2.84Å
565R84.4Confident85.2Confident65 Ų6542.9 Ų42.925%0.24521%0.212CC..Hα-helixtrans-60.2-44.8-177.7-68.9175.6-161.6179.77.4111.1G515 A561 A562 A569G515-R565 PolarHBondContact O-NH2 3.36Å; G515-R565 VanDerWaalsContact O-NH2 3.08Å; A561-R565 WeakPolarHBondContact O-CG 3.19Å; A561-R565 PolarHBondContact O-N 3.18Å; A561-R565 VanDerWaalsContact O-N 3.08Å; A562-R565 PolarHBondContact O-N 2.71Å; R565-A569 WeakPolarHBondContact O-CB 3.41Å; R565-A569 PolarHBondContact O-N 3.14Å
566T75.7Confident85Confident19 Ų1949.1 Ų49.112%0.11724%0.236CC..Hα-helixtrans-62.8-43.5175.1-630000111.8L202 A562 Y564 A569 R570L202-T566 HydrophobicContact CD2-CG2 4.41Å; A562-T566 PolarHBondContact O-N 2.85Å; A562-T566 PolarHBondContact O-OG1 3.36Å; Y564-T566 PolarHBondContact O-N 3.42Å; T566-A569 PolarHBondContact O-N 2.81Å; T566-R570 WeakPolarHBondContact O-CB 3.37Å; T566-R570 WeakPolarHBondContact O-CG 3.33Å; T566-R570 PolarHBondContact O-N 3.36Å
567R86.8Confident84.7Confident48 Ų4847.6 Ų47.618%0.18123%0.227CC..Hα-helixtrans-67.3-43.7-179.9-75.1173.3177.8-176.32.2113.1D204 L554 E557 M563 Y564 R570 L571D204-R567 IonicContact OD1-CZ 2.74Å; D204-R567 VanDerWaalsContact OD1-CZ 3.29Å; D204-R567 IonicContact OD1-NE 3.72Å; D204-R567 PolarHBondContact OD1-NE 3.06Å; D204-R567 IonicContact OD1-NH2 3.66Å; D204-R567 PolarHBondContact OD1-NH2 3.44Å; L554-R567 HydrophobicContact CD2-CB 4.27Å; E557-R567 PolarHBondContact O-NH1 3.27Å; M563-R567 VanDerWaalsContact O-CB 3.31Å; M563-R567 WeakPolarHBondContact O-CB 3.44Å; M563-R567 WeakPolarHBondContact O-CG 3.29Å; M563-R567 PolarHBondContact O-N 3.28Å; M563-R567 PolarHBondContact SD-NH2 3.02Å; Y564-R567 PolarHBondContact O-N 3.12Å; Y564-R567 VanDerWaalsContact O-N 3.17Å; R567-R570 PolarHBondContact O-N 3.32Å; R567-L571 PolarHBondContact O-N 2.98Å; R567-L571 VanDerWaalsContact O-N 3.12Å
568M92Very high84.2Confident0 Ų050 Ų500%025%0.247CC..Hα-helixtrans-65.6-43.3173.6-71.2-60.8-72.700111.5T524 L528 E551 L554 Y564 R570 L571 I572T524-M568 HydrophobicContact CG2-CB 3.45Å; T524-M568 VanDerWaalsContact CG2-CB 3.45Å; T524-M568 HydrophobicContact CG2-CE 3.8Å; T524-M568 HydrophobicContact CG2-CG 3.69Å; L528-M568 HydrophobicContact CB-CE 4.47Å; L528-M568 HydrophobicContact CD2-CE 4.08Å; E551-M568 HydrophobicContact CB-CE 3.9Å; E551-M568 HydrophobicContact CB-SD 4.28Å; E551-M568 HydrophobicContact CG-CE 3.65Å; E551-M568 HydrophobicContact CG-SD 4.08Å; L554-M568 HydrophobicContact CB-SD 4.09Å; L554-M568 HydrophobicContact CD1-SD 3.66Å; L554-M568 HydrophobicContact CG-SD 4.48Å; Y564-M568 HydrophobicContact CD1-CG 4.41Å; Y564-M568 HydrophobicContact CD2-CG 4.02Å; Y564-M568 HydrophobicContact CE1-CG 4.06Å; Y564-M568 HydrophobicContact CE2-CG 3.64Å; Y564-M568 HydrophobicContact CE2-SD 4.36Å; Y564-M568 HydrophobicContact CG-CG 4.44Å; Y564-M568 PolarHBondContact O-N 2.84Å; M568-R570 VanDerWaalsContact C-N 3.34Å; M568-R570 PolarHBondContact O-N 2.8Å; M568-L571 PolarHBondContact O-N 3.26Å; M568-I572 HydrophobicContact CB-CD1 4.48Å; M568-I572 WeakPolarHBondContact O-CB 3.41Å; M568-I572 VanDerWaalsContact O-CG1 3.25Å; M568-I572 WeakPolarHBondContact O-CG1 3.37Å; M568-I572 PolarHBondContact O-N 2.61Å
569A85.8Confident83.7Confident9 Ų957.9 Ų57.97%0.07429%0.289CS..Hα-helixtrans-61-40.117600000112.3L420 R565 T566 T573L420-A569 HydrophobicContact CD2-CB 4.46Å; R565-A569 WeakPolarHBondContact O-CB 3.41Å; R565-A569 PolarHBondContact O-N 3.14Å; T566-A569 PolarHBondContact O-N 2.81Å; A569-T573 WeakPolarHBondContact O-CB 3.43Å; A569-T573 PolarHBondContact O-N 3.03Å; A569-T573 PolarHBondContact O-OG1 2.98Å
570R84.9Confident83.4Confident75 Ų7551.7 Ų51.728%0.28326%0.264SS..Hα-helixtrans-58.9-48172.2-76.4-175.8-163.7152.32.1111.9L202 D204 L416 T566 R567 M568 F574L202-R570 PolarHBondContact O-NH2 2.82Å; D204-R570 IonicContact OD2-CZ 2.77Å; D204-R570 IonicContact OD2-NH1 3.46Å; D204-R570 PolarHBondContact OD2-NH1 3.46Å; D204-R570 IonicContact OD2-NH2 3.55Å; D204-R570 PolarHBondContact OD2-NH2 3.38Å; L416-R570 HydrophobicContact CD2-CB 4.43Å; L416-R570 HydrophobicContact CD2-CG 4.2Å; T566-R570 WeakPolarHBondContact O-CB 3.37Å; T566-R570 WeakPolarHBondContact O-CG 3.33Å; T566-R570 PolarHBondContact O-N 3.36Å; R567-R570 PolarHBondContact O-N 3.32Å; M568-R570 VanDerWaalsContact C-N 3.34Å; M568-R570 PolarHBondContact O-N 2.8Å; R570-F574 WeakPolarHBondContact O-CB 3.42Å; R570-F574 PolarHBondContact O-N 3.24Å
571L89.6Confident83.7Confident17 Ų1752.6 Ų52.69%0.08927%0.266CS..Hα-helixtrans-65.2-50.3-179.3-173.761.7000111.3L528 L554 R567 M568 T573 F574 V575 V589L528-L571 HydrophobicContact CD1-CD2 4.15Å; L528-L571 HydrophobicContact CD1-CG 4.02Å; L528-L571 HydrophobicContact CD2-CD2 3.84Å; L554-L571 HydrophobicContact CD1-CB 4.39Å; L554-L571 HydrophobicContact CD1-CD2 3.89Å; R567-L571 PolarHBondContact O-N 2.98Å; R567-L571 VanDerWaalsContact O-N 3.12Å; M568-L571 PolarHBondContact O-N 3.26Å; L571-T573 VanDerWaalsContact C-N 3.32Å; L571-T573 PolarHBondContact O-N 3.04Å; L571-F574 WeakPolarHBondContact O-CB 3.36Å; L571-F574 PolarHBondContact O-N 2.82Å; L571-F574 VanDerWaalsContact O-N 3.17Å; L571-V575 WeakPolarHBondContact O-CG2 3.4Å; L571-V575 PolarHBondContact O-N 3.42Å; L571-V589 HydrophobicContact CD1-CG2 4.14Å
572I90.4Very high84.1Confident13 Ų1357.3 Ų57.37%0.06728%0.284CS..Hα-helixtrans-59.3-42.1178.6-65.3165.5000111.1T524 L527 L528 M568 V575 R576T524-I572 HydrophobicContact CG2-CD1 4.26Å; L527-I572 HydrophobicContact CB-CD1 3.92Å; L528-I572 HydrophobicContact CB-CD1 4.32Å; L528-I572 HydrophobicContact CB-CG1 3.84Å; L528-I572 HydrophobicContact CD1-CG1 4Å; L528-I572 HydrophobicContact CG-CG1 4.5Å; M568-I572 HydrophobicContact CB-CD1 4.48Å; M568-I572 WeakPolarHBondContact O-CB 3.41Å; M568-I572 VanDerWaalsContact O-CG1 3.25Å; M568-I572 WeakPolarHBondContact O-CG1 3.37Å; M568-I572 PolarHBondContact O-N 2.61Å; I572-V575 PolarHBondContact O-N 3.09Å; I572-R576 HydrophobicContact CG2-CG 4.47Å; I572-R576 WeakPolarHBondContact O-CB 3.46Å; I572-R576 VanDerWaalsContact O-CG 3.26Å; I572-R576 WeakPolarHBondContact O-CG 3.29Å; I572-R576 PolarHBondContact O-N 3.23Å
573T85.6Confident84.8Confident30 Ų3058.2 Ų58.218%0.18428%0.277CS..Hα-helixtrans-72.7-30.1179.2-52.70000112.3L416 A569 L571 R577L416-T573 HydrophobicContact CD2-CG2 3.72Å; L416-T573 HydrophobicContact CG-CG2 4.08Å; A569-T573 WeakPolarHBondContact O-CB 3.43Å; A569-T573 PolarHBondContact O-N 3.03Å; A569-T573 PolarHBondContact O-OG1 2.98Å; L571-T573 VanDerWaalsContact C-N 3.32Å; L571-T573 PolarHBondContact O-N 3.04Å; T573-R577 WeakPolarHBondContact O-CG 3.33Å; T573-R577 PolarHBondContact O-N 3.08Å
574F87Confident85.1Confident56 Ų5658.9 Ų58.925%0.24629%0.286CS..Hα-helixtrans-65.1-47.5170.6179.1-92000111.3R570 L571 R576 R577 I580 A588R570-F574 WeakPolarHBondContact O-CB 3.42Å; R570-F574 PolarHBondContact O-N 3.24Å; L571-F574 WeakPolarHBondContact O-CB 3.36Å; L571-F574 PolarHBondContact O-N 2.82Å; L571-F574 VanDerWaalsContact O-N 3.17Å; F574-R576 VanDerWaalsContact C-N 3.3Å; F574-R576 PolarHBondContact O-N 3.36Å; F574-R577 WeakPolarHBondContact O-CG 3.32Å; F574-R577 PolarHBondContact O-N 3.37Å; F574-I580 HydrophobicContact CD1-CD1 4.11Å; F574-I580 HydrophobicContact CD2-CD1 4.26Å; F574-I580 HydrophobicContact CE1-CD1 3.75Å; F574-I580 HydrophobicContact CE2-CD1 3.93Å; F574-I580 HydrophobicContact CG-CD1 4.36Å; F574-I580 HydrophobicContact CZ-CD1 3.67Å; F574-I580 WeakPolarHBondContact O-CD1 3.47Å; F574-A588 HydrophobicContact CD1-CB 3.87Å; F574-A588 HydrophobicContact CE1-CB 3.37Å; F574-A588 HydrophobicContact CZ-CB 4.15Å
575V88.5Confident85.2Confident1 Ų158.9 Ų58.91%0.00629%0.286CS..Hα-helixtrans-58.2-42.3174.7177.40000110.8L528 A531 M532 I535 L571 I572 R577 V585 V589L528-V575 HydrophobicContact CD1-CG2 4.01Å; A531-V575 HydrophobicContact CB-CB 4.2Å; A531-V575 HydrophobicContact CB-CG1 3.61Å; M532-V575 HydrophobicContact CG-CG1 4.14Å; M532-V575 HydrophobicContact SD-CB 4.5Å; M532-V575 HydrophobicContact SD-CG1 3.69Å; M532-V575 HydrophobicContact SD-CG2 3.88Å; I535-V575 HydrophobicContact CD1-CG1 3.84Å; I535-V575 VanDerWaalsContact CD1-O 3.29Å; I535-V575 WeakPolarHBondContact CD1-O 3.46Å; L571-V575 WeakPolarHBondContact O-CG2 3.4Å; L571-V575 PolarHBondContact O-N 3.42Å; I572-V575 PolarHBondContact O-N 3.09Å; V575-R577 VanDerWaalsContact C-N 3.28Å; V575-R577 PolarHBondContact O-N 2.75Å; V575-V585 HydrophobicContact CB-CG1 4.31Å; V575-V585 HydrophobicContact CG1-CG1 3.96Å; V575-V585 HydrophobicContact CG2-CG1 4.03Å; V575-V589 HydrophobicContact CG2-CG2 4.04Å
576R87.5Confident85.4Confident132 Ų13257.3 Ų57.350%0.49828%0.28SS..THydrogen-bonded Turntrans-77.96.2-177.6-68.7177.5-173.6-172.12.8115.6L527 A531 I572 F574L527-R576 PolarHBondContact O-NH2 3.17Å; A531-R576 HydrophobicContact CB-CG 3.77Å; I572-R576 HydrophobicContact CG2-CG 4.47Å; I572-R576 WeakPolarHBondContact O-CB 3.46Å; I572-R576 VanDerWaalsContact O-CG 3.26Å; I572-R576 WeakPolarHBondContact O-CG 3.29Å; I572-R576 PolarHBondContact O-N 3.23Å; F574-R576 VanDerWaalsContact C-N 3.3Å; F574-R576 PolarHBondContact O-N 3.36Å
577R82.8Confident85.9Confident96 Ų9659.4 Ų59.436%0.36229%0.29SS..  trans-68.6137.6178.8-68.6-172.4-172.1168.25.8111.5T412 T573 F574 V575 I580T412-R577 VanDerWaalsContact CG2-NH2 3.31Å; T573-R577 WeakPolarHBondContact O-CG 3.33Å; T573-R577 PolarHBondContact O-N 3.08Å; F574-R577 WeakPolarHBondContact O-CG 3.32Å; F574-R577 PolarHBondContact O-N 3.37Å; V575-R577 VanDerWaalsContact C-N 3.28Å; V575-R577 PolarHBondContact O-N 2.75Å; R577-I580 HydrophobicContact CB-CB 4.26Å; R577-I580 HydrophobicContact CB-CD1 4.33Å; R577-I580 VanDerWaalsContact O-CG2 3.31Å; R577-I580 WeakPolarHBondContact O-CG2 3.34Å
578P77.9Confident86Confident111 Ų11158.1 Ų58.172%0.72129%0.29SS*.THydrogen-bonded Turntrans-64.7151.8168.229.4-34.5000110.7I580P578-I580 PolarHBondContact O-N 2.72Å; P578-I580 VanDerWaalsContact O-N 3.12Å
579N75.8Confident85.9Confident176 Ų17658.1 Ų58.194%0.94129%0.29SS*.THydrogen-bonded Turntrans56.424.4173.8-54.8-9.2000115.6
580I78.7Confident86.1Confident44 Ų4459.8 Ų59.823%0.22630%0.296CS..  trans-81.8139.3176.9-165.5164.3000111.6F574 R577 P578 K582 V585F574-I580 HydrophobicContact CD1-CD1 4.11Å; F574-I580 HydrophobicContact CD2-CD1 4.26Å; F574-I580 HydrophobicContact CE1-CD1 3.75Å; F574-I580 HydrophobicContact CE2-CD1 3.93Å; F574-I580 HydrophobicContact CG-CD1 4.36Å; F574-I580 HydrophobicContact CZ-CD1 3.67Å; F574-I580 WeakPolarHBondContact O-CD1 3.47Å; R577-I580 HydrophobicContact CB-CB 4.26Å; R577-I580 HydrophobicContact CB-CD1 4.33Å; R577-I580 VanDerWaalsContact O-CG2 3.31Å; R577-I580 WeakPolarHBondContact O-CG2 3.34Å; P578-I580 PolarHBondContact O-N 2.72Å; P578-I580 VanDerWaalsContact O-N 3.12Å; I580-K582 PolarHBondContact O-N 2.62Å; I580-V585 HydrophobicContact CB-CG2 4.27Å; I580-V585 HydrophobicContact CD1-CG2 3.87Å; I580-V585 HydrophobicContact CG1-CG2 3.87Å; I580-V585 HydrophobicContact CG2-CG2 3.46Å; I580-V585 VanDerWaalsContact CG2-CG2 3.46Å
581N86.6Confident86.2Confident93 Ų9359.5 Ų59.550%0.49731%0.305SS..  trans-63.8126.1175.3176.3-0.6000110.4E583 S584 V585N581-E583 VanDerWaalsContact C-N 3.31Å; N581-E583 PolarHBondContact O-N 2.83Å; N581-E583 PolarHBondContact OD1-N 3.48Å; N581-S584 WeakPolarHBondContact O-CB 3.11Å; N581-S584 PolarHBondContact O-N 2.87Å; N581-V585 PolarHBondContact O-N 2.89Å; N581-V585 VanDerWaalsContact O-N 3.11Å
582K86.7Confident86Confident114 Ų11461.7 Ų61.750%0.49631%0.314SS..Hα-helixtrans-50.4-47176-66.5-165-179.9-166.40112.2I535 F536 I580 S584 V585 W586I535-K582 HydrophobicContact CG2-CD 4.3Å; I535-K582 HydrophobicContact CG2-CG 3.93Å; I535-K582 PolarHBondContact O-NZ 2.86Å; F536-K582 HydrophobicContact CE1-CB 3.94Å; F536-K582 HydrophobicContact CE1-CD 4.27Å; F536-K582 HydrophobicContact CE1-CG 4.45Å; F536-K582 HydrophobicContact CZ-CB 3.94Å; F536-K582 WeakPolarHBondContact CZ-O 3.17Å; I580-K582 PolarHBondContact O-N 2.62Å; K582-S584 VanDerWaalsContact C-N 3.27Å; K582-S584 PolarHBondContact O-N 3.13Å; K582-V585 WeakPolarHBondContact O-CB 3.17Å; K582-V585 PolarHBondContact O-N 3.32Å; K582-V585 VanDerWaalsContact O-N 3.08Å; K582-W586 PolarHBondContact O-N 3.41Å
583E85.7Confident85.8Confident83 Ų8361.3 Ų61.339%0.38831%0.313SS..Hα-helixtrans-61.6-36.1-179.6-177.2174-157.100111.8N581 W586 N587N581-E583 VanDerWaalsContact C-N 3.31Å; N581-E583 PolarHBondContact O-N 2.83Å; N581-E583 PolarHBondContact OD1-N 3.48Å; E583-W586 PolarHBondContact O-N 2.83Å; E583-N587 WeakPolarHBondContact CG-ND2 3.46Å; E583-N587 VanDerWaalsContact O-CB 3.27Å; E583-N587 WeakPolarHBondContact O-CB 3.39Å; E583-N587 VanDerWaalsContact O-CG 3.26Å; E583-N587 PolarHBondContact O-N 3.47Å; E583-N587 PolarHBondContact O-ND2 3.07Å
584S86.3Confident85.6Confident55 Ų5562 Ų6239%0.38532%0.315SS..Hα-helixtrans-68-35.9175.2-52.40000112.8N581 K582 A588N581-S584 WeakPolarHBondContact O-CB 3.11Å; N581-S584 PolarHBondContact O-N 2.87Å; K582-S584 VanDerWaalsContact C-N 3.27Å; K582-S584 PolarHBondContact O-N 3.13Å; S584-A588 VanDerWaalsContact O-CB 3.27Å; S584-A588 WeakPolarHBondContact O-CB 3.27Å; S584-A588 PolarHBondContact O-N 2.78Å
585V89.5Confident84.9Confident0 Ų061.4 Ų61.40%031%0.314CS..Hα-helixtrans-65.6-50173.51790000110.8M532 I535 F536 V575 I580 N581 K582 N587 A588 V589M532-V585 HydrophobicContact CE-CG1 4.33Å; M532-V585 HydrophobicContact SD-CG1 3.59Å; M532-V585 VanDerWaalsContact SD-CG1 3.59Å; I535-V585 HydrophobicContact CD1-CG1 4.19Å; I535-V585 HydrophobicContact CD1-CG2 4.41Å; F536-V585 HydrophobicContact CE2-CB 4.27Å; F536-V585 HydrophobicContact CE2-CG1 3.97Å; F536-V585 HydrophobicContact CZ-CB 4.48Å; V575-V585 HydrophobicContact CB-CG1 4.31Å; V575-V585 HydrophobicContact CG1-CG1 3.96Å; V575-V585 HydrophobicContact CG2-CG1 4.03Å; I580-V585 HydrophobicContact CB-CG2 4.27Å; I580-V585 HydrophobicContact CD1-CG2 3.87Å; I580-V585 HydrophobicContact CG1-CG2 3.87Å; I580-V585 HydrophobicContact CG2-CG2 3.46Å; I580-V585 VanDerWaalsContact CG2-CG2 3.46Å; N581-V585 PolarHBondContact O-N 2.89Å; N581-V585 VanDerWaalsContact O-N 3.11Å; K582-V585 WeakPolarHBondContact O-CB 3.17Å; K582-V585 PolarHBondContact O-N 3.32Å; K582-V585 VanDerWaalsContact O-N 3.08Å; V585-N587 PolarHBondContact O-N 3.25Å; V585-A588 PolarHBondContact O-N 3.48Å; V585-V589 PolarHBondContact O-N 2.96Å
586W88.7Confident83.5Confident31 Ų3163.4 Ų63.412%0.11732%0.324CS..Hα-helixtrans-58.4-50.3179.3-174.5-93.7000111.5M532 F536 L542 L543 L546 K582 E583 A588 V589 K590M532-W586 HydrophobicContact CE-CE3 4.36Å; F536-W586 HydrophobicContact CD1-CE3 4.35Å; F536-W586 HydrophobicContact CD2-CE3 4.45Å; F536-W586 HydrophobicContact CE1-CE3 4.2Å; F536-W586 HydrophobicContact CE2-CE3 4.31Å; F536-W586 HydrophobicContact CG-CE3 4.46Å; F536-W586 HydrophobicContact CZ-CB 3.99Å; F536-W586 HydrophobicContact CZ-CE3 4.18Å; L542-W586 HydrophobicContact CD2-CH2 3.72Å; L542-W586 HydrophobicContact CD2-CZ2 4.11Å; L542-W586 HydrophobicContact CG-CH2 4.03Å; L543-W586 HydrophobicContact CD2-CE3 4.41Å; L543-W586 HydrophobicContact CD2-CH2 4.47Å; L543-W586 HydrophobicContact CD2-CZ3 3.67Å; L546-W586 HydrophobicContact CD2-CD2 4.34Å; L546-W586 HydrophobicContact CD2-CE3 4.28Å; L546-W586 HydrophobicContact CD2-CH2 3.92Å; L546-W586 HydrophobicContact CD2-CZ2 3.98Å; L546-W586 HydrophobicContact CD2-CZ3 4.08Å; K582-W586 PolarHBondContact O-N 3.41Å; E583-W586 PolarHBondContact O-N 2.83Å; W586-A588 VanDerWaalsContact C-N 3.31Å; W586-A588 PolarHBondContact O-N 3.12Å; W586-V589 PolarHBondContact O-N 3.14Å; W586-K590 VanDerWaalsContact O-CB 3.24Å; W586-K590 WeakPolarHBondContact O-CB 3.48Å; W586-K590 PolarHBondContact O-N 2.99Å
587N88.1Confident82.1Confident63 Ų6361.8 Ų61.834%0.33733%0.325SS..Hα-helixtrans-66.5-30.5179.8-71.1-23.9000112.5E583 V585 S591E583-N587 WeakPolarHBondContact CG-ND2 3.46Å; E583-N587 VanDerWaalsContact O-CB 3.27Å; E583-N587 WeakPolarHBondContact O-CB 3.39Å; E583-N587 VanDerWaalsContact O-CG 3.26Å; E583-N587 PolarHBondContact O-N 3.47Å; E583-N587 PolarHBondContact O-ND2 3.07Å; V585-N587 PolarHBondContact O-N 3.25Å; N587-S591 WeakPolarHBondContact O-CB 3.38Å; N587-S591 PolarHBondContact O-N 3.44Å; N587-S591 PolarHBondContact O-OG 3.42Å
588A87.1Confident80.9Confident22 Ų2265.6 Ų65.618%0.18234%0.34CS..Hα-helixtrans-65.1-50.8175.200000112F574 S584 V585 W586 S591F574-A588 HydrophobicContact CD1-CB 3.87Å; F574-A588 HydrophobicContact CE1-CB 3.37Å; F574-A588 HydrophobicContact CZ-CB 4.15Å; S584-A588 VanDerWaalsContact O-CB 3.27Å; S584-A588 WeakPolarHBondContact O-CB 3.27Å; S584-A588 PolarHBondContact O-N 2.78Å; V585-A588 PolarHBondContact O-N 3.48Å; W586-A588 VanDerWaalsContact C-N 3.31Å; W586-A588 PolarHBondContact O-N 3.12Å; A588-S591 PolarHBondContact O-OG 3.32Å
589V90.6Very high79.8Confident0 Ų066.8 Ų66.80%033%0.33CS..Hα-helixtrans-66.4-45.5177.5-174.50000110.6M532 L546 A550 L571 V575 V585 W586 S591 K592 A593M532-V589 HydrophobicContact CE-CB 4.36Å; M532-V589 HydrophobicContact CE-CG2 4Å; M532-V589 HydrophobicContact CG-CG2 4.48Å; M532-V589 HydrophobicContact SD-CG2 3.73Å; L546-V589 HydrophobicContact CD2-CG1 4.31Å; L546-V589 HydrophobicContact CG-CG1 4.1Å; A550-V589 HydrophobicContact CB-CG1 3.81Å; L571-V589 HydrophobicContact CD1-CG2 4.14Å; V575-V589 HydrophobicContact CG2-CG2 4.04Å; V585-V589 PolarHBondContact O-N 2.96Å; W586-V589 PolarHBondContact O-N 3.14Å; V589-S591 PolarHBondContact O-N 3.38Å; V589-K592 PolarHBondContact O-N 2.66Å; V589-K592 VanDerWaalsContact O-N 3.08Å; V589-A593 PolarHBondContact O-N 3.43Å; V589-A593 VanDerWaalsContact O-N 3.14Å
590K89.4Confident78.6Confident44 Ų4460.9 Ų60.919%0.19131%0.305CS..Hα-helixtrans-60.8-40178.3-177.3174.5174179.40112.9L546 W586 K592 A593 D594L546-K590 HydrophobicContact CD1-CB 4.12Å; L546-K590 HydrophobicContact CD1-CG 4.29Å; W586-K590 VanDerWaalsContact O-CB 3.24Å; W586-K590 WeakPolarHBondContact O-CB 3.48Å; W586-K590 PolarHBondContact O-N 2.99Å; K590-K592 PolarHBondContact O-N 3.02Å; K590-K592 VanDerWaalsContact O-N 3.12Å; K590-A593 PolarHBondContact O-N 3.09Å; K590-D594 WeakPolarHBondContact CE-OD1 3.41Å; K590-D594 WeakPolarHBondContact CE-OD2 3.18Å; K590-D594 WeakPolarHBondContact CG-OD1 3.2Å; K590-D594 WeakPolarHBondContact O-CB 3.3Å; K590-D594 PolarHBondContact O-N 2.64Å
591S87.2Confident76.9Confident68 Ų6863.7 Ų63.748%0.47632%0.321SS..Hα-helixtrans-62-21.1177.671.60000113.7N587 A588 V589N587-S591 WeakPolarHBondContact O-CB 3.38Å; N587-S591 PolarHBondContact O-N 3.44Å; N587-S591 PolarHBondContact O-OG 3.42Å; A588-S591 PolarHBondContact O-OG 3.32Å; V589-S591 PolarHBondContact O-N 3.38Å
592K86.7Confident75Confident64 Ų6464.3 Ų64.328%0.27832%0.321SS..Hα-helixtrans-84.6-42.4170-71.4-57.8-168.1170.50112.6A550 V553 L554 E557 V589 K590 I595A550-K592 HydrophobicContact CB-CB 4.03Å; V553-K592 WeakPolarHBondContact CG2-O 3.49Å; L554-K592 HydrophobicContact CD2-CD 4.02Å; L554-K592 HydrophobicContact CD2-CG 4.39Å; E557-K592 IonicContact OE2-NZ 2.74Å; E557-K592 PolarHBondContact OE2-NZ 3.08Å; V589-K592 PolarHBondContact O-N 2.66Å; V589-K592 VanDerWaalsContact O-N 3.08Å; K590-K592 PolarHBondContact O-N 3.02Å; K590-K592 VanDerWaalsContact O-N 3.12Å; K592-I595 HydrophobicContact CD-CD1 4.05Å; K592-I595 PolarHBondContact O-N 3.34Å
593A86.3Confident73.1Confident4 Ų464.3 Ų64.33%0.03333%0.326CS..Hα-helixtrans-61.5-44.2174.800000113.3L546 D549 V589 K590 I595 L596L546-A593 HydrophobicContact CD1-CB 3.92Å; D549-A593 HydrophobicContact CB-CB 3.63Å; V589-A593 PolarHBondContact O-N 3.43Å; V589-A593 VanDerWaalsContact O-N 3.14Å; K590-A593 PolarHBondContact O-N 3.09Å; A593-I595 PolarHBondContact O-N 3.5Å; A593-L596 PolarHBondContact O-N 3.44Å
594D80.4Confident71Confident46 Ų4666 Ų6625%0.24634%0.336CS..Hα-helixtrans-60.3-17.1-176.2-77-5.5000113.7K590 L596 L597 R598K590-D594 WeakPolarHBondContact CE-OD1 3.41Å; K590-D594 WeakPolarHBondContact CE-OD2 3.18Å; K590-D594 WeakPolarHBondContact CG-OD1 3.2Å; K590-D594 WeakPolarHBondContact O-CB 3.3Å; K590-D594 PolarHBondContact O-N 2.64Å; D594-L596 PolarHBondContact O-N 2.8Å; D594-L597 PolarHBondContact O-N 3.18Å; D594-L597 VanDerWaalsContact O-N 3.15Å; D594-R598 PolarHBondContact O-N 3.07Å; D594-R598 VanDerWaalsContact O-N 3.16Å
595I72.1Confident68.9Low43 Ų4370.6 Ų70.622%0.22135%0.349CS..Hα-helixtrans-63.9-27.7174.8-65.7171.2000111.6V553 K592 A593V553-I595 HydrophobicContact CG1-CB 4.21Å; V553-I595 HydrophobicContact CG1-CD1 4.09Å; V553-I595 HydrophobicContact CG1-CG2 4.17Å; V553-I595 HydrophobicContact CG2-CB 4.3Å; K592-I595 HydrophobicContact CD-CD1 4.05Å; K592-I595 PolarHBondContact O-N 3.34Å; A593-I595 PolarHBondContact O-N 3.5Å
596L60.3Low66.6Low42 Ų4278.8 Ų78.822%0.2239%0.385CS..Hα-helixtrans-71.6-42.9171.5-61.7176.6000111.5D549 Y552 V553 A593 D594 R598 R599 A600D549-L596 HydrophobicContact CB-CD1 4.02Å; Y552-L596 HydrophobicContact CD1-CD1 4.09Å; Y552-L596 HydrophobicContact CD1-CD2 4.17Å; Y552-L596 HydrophobicContact CE1-CD2 4.47Å; V553-L596 HydrophobicContact CG2-CD1 4.05Å; V553-L596 HydrophobicContact CG2-CD2 3.58Å; V553-L596 HydrophobicContact CG2-CG 3.46Å; V553-L596 VanDerWaalsContact CG2-CG 3.46Å; A593-L596 PolarHBondContact O-N 3.44Å; D594-L596 PolarHBondContact O-N 2.8Å; L596-R598 PolarHBondContact O-N 3.22Å; L596-R599 PolarHBondContact O-N 2.84Å; L596-A600 WeakPolarHBondContact O-CB 3.4Å; L596-A600 PolarHBondContact O-N 2.92Å
597L57.3Low64.2Low98 Ų9881 Ų8151%0.51340%0.402SS..Hα-helixtrans-65.3-37.3-176.3-63.5177.4000112.4D594 N601D594-L597 PolarHBondContact O-N 3.18Å; D594-L597 VanDerWaalsContact O-N 3.15Å; L597-N601 PolarHBondContact O-N 3.37Å; L597-N601 PolarHBondContact O-ND2 2.93Å
598R58.6Low61.9Low177 Ų17782 Ų8267%0.66841%0.407SS*.Hα-helixtrans-62.9-52.1175-65.5-174.3-173-156.11.8111.8D594 L596 A600 N601 E602D594-R598 PolarHBondContact O-N 3.07Å; D594-R598 VanDerWaalsContact O-N 3.16Å; L596-R598 PolarHBondContact O-N 3.22Å; R598-A600 VanDerWaalsContact C-N 3.3Å; R598-A600 PolarHBondContact O-N 3.43Å; R598-N601 PolarHBondContact O-N 2.97Å; R598-N601 VanDerWaalsContact O-N 3.11Å; R598-E602 WeakPolarHBondContact O-CG 3.32Å; R598-E602 PolarHBondContact O-N 2.81Å
599R54.1Low59.7Low135 Ų13585.9 Ų85.951%0.50943%0.425SS..Hα-helixtrans-64.3-30-179.9-75.6175.8166.6149.1-3.4113.9L596 E602 N603L596-R599 PolarHBondContact O-N 2.84Å; R599-E602 WeakPolarHBondContact CA-OE2 3.47Å; R599-N603 PolarHBondContact O-N 3.09Å; R599-N603 PolarHBondContact O-ND2 2.87Å
600A50.2Low57.2Low52 Ų5289 Ų8943%0.4345%0.447SS..Hα-helixtrans-64.8-45.3172.300000111.8L596 R598 N603 M604L596-A600 WeakPolarHBondContact O-CB 3.4Å; L596-A600 PolarHBondContact O-N 2.92Å; R598-A600 VanDerWaalsContact C-N 3.3Å; R598-A600 PolarHBondContact O-N 3.43Å; A600-N603 PolarHBondContact O-N 3.44Å; A600-M604 PolarHBondContact O-N 3.15Å
601N43.7Very low54.9Low103 Ų10392.1 Ų92.155%0.55146%0.464SS*.Hα-helixtrans-70.1-35179.4-69.8-27000113L597 R598 K605L597-N601 PolarHBondContact O-N 3.37Å; L597-N601 PolarHBondContact O-ND2 2.93Å; R598-N601 PolarHBondContact O-N 2.97Å; R598-N601 VanDerWaalsContact O-N 3.11Å; N601-K605 PolarHBondContact O-N 2.99Å
602E47Very low52.5Low106 Ų10695 Ų9550%0.49547%0.47SS..Hα-helixtrans-62.4-46.4174.5-73.2154.3-166.400111.4R598 R599 M604 K605 F606R598-E602 WeakPolarHBondContact O-CG 3.32Å; R598-E602 PolarHBondContact O-N 2.81Å; R599-E602 WeakPolarHBondContact CA-OE2 3.47Å; E602-M604 PolarHBondContact O-N 3.44Å; E602-K605 PolarHBondContact O-N 2.99Å; E602-F606 PolarHBondContact O-N 3.15Å; E602-F606 VanDerWaalsContact O-N 3.17Å
603N44.9Very low50.1Low115 Ų11597.7 Ų97.762%0.61549%0.488SS*.Hα-helixtrans-64.1-38.9177.8-75.1-18.2000112.8R599 A600 F606 T607R599-N603 PolarHBondContact O-N 3.09Å; R599-N603 PolarHBondContact O-ND2 2.87Å; A600-N603 PolarHBondContact O-N 3.44Å; N603-F606 PolarHBondContact O-N 3.35Å; N603-T607 PolarHBondContact O-N 3.16Å; N603-T607 VanDerWaalsContact O-N 3.14Å; N603-T607 PolarHBondContact O-OG1 3.02Å
604M42.1Very low47.7Very low119 Ų119104.3 Ų104.359%0.58652%0.522SS*.Hα-helixtrans-63.7-41.8176.1-73.7-163.47200112.3A600 E602 F606 T607 D608A600-M604 PolarHBondContact O-N 3.15Å; E602-M604 PolarHBondContact O-N 3.44Å; M604-F606 VanDerWaalsContact C-N 3.33Å; M604-F606 PolarHBondContact O-N 3.44Å; M604-T607 WeakPolarHBondContact CA-OG1 3.41Å; M604-T607 PolarHBondContact O-N 3.25Å; M604-T607 VanDerWaalsContact O-N 3.14Å; M604-T607 PolarHBondContact O-OG1 3.28Å; M604-D608 PolarHBondContact O-N 3.03Å
605K42.5Very low45.6Very low151 Ų151112.2 Ų112.266%0.65755%0.549SS*.Hα-helixtrans-61.3-38.7175.9-74.6-176.9175.2-172.90112.8N601 E602 T607 N609N601-K605 PolarHBondContact O-N 2.99Å; E602-K605 PolarHBondContact O-N 2.99Å; K605-T607 VanDerWaalsContact C-N 3.34Å; K605-N609 VanDerWaalsContact O-CG 3.32Å; K605-N609 PolarHBondContact O-N 3.25Å
606F40.6Very low43.9Very low171 Ų171118.9 Ų118.975%0.7558%0.576SS**Hα-helixtrans-66.6-33.7174.8-106.3-84.4000113E602 N603 M604 S610E602-F606 PolarHBondContact O-N 3.15Å; E602-F606 VanDerWaalsContact O-N 3.17Å; N603-F606 PolarHBondContact O-N 3.35Å; M604-F606 VanDerWaalsContact C-N 3.33Å; M604-F606 PolarHBondContact O-N 3.44Å; F606-S610 PolarHBondContact O-N 3.38Å
607T39.9Very low42.7Very low79 Ų79122.6 Ų122.649%0.48561%0.606SS.*Hα-helixtrans-76.4-37.3176.147.80000113.8N603 M604 K605 S610 I611N603-T607 PolarHBondContact O-N 3.16Å; N603-T607 VanDerWaalsContact O-N 3.14Å; N603-T607 PolarHBondContact O-OG1 3.02Å; M604-T607 WeakPolarHBondContact CA-OG1 3.41Å; M604-T607 PolarHBondContact O-N 3.25Å; M604-T607 VanDerWaalsContact O-N 3.14Å; M604-T607 PolarHBondContact O-OG1 3.28Å; K605-T607 VanDerWaalsContact C-N 3.34Å; T607-S610 PolarHBondContact O-OG 3.02Å; T607-I611 WeakPolarHBondContact O-CG1 3.39Å
608D39Very low41.3Very low84 Ų84122.6 Ų122.645%0.44962%0.62SS.*Hα-helixtrans-67.8-40.5177.3-84.9-42.4000112.1M604 S610 I611 Q612M604-D608 PolarHBondContact O-N 3.03Å; D608-S610 PolarHBondContact O-N 2.95Å; D608-I611 PolarHBondContact O-N 3.31Å; D608-I611 VanDerWaalsContact O-N 3.14Å; D608-Q612 PolarHBondContact O-N 3.42Å
609N39.8Very low40.1Very low102 Ų102122.6 Ų122.655%0.54563%0.633SS.*Hα-helixtrans-61.3-43.5178.3-72.41.8000111.8K605 I611 Q612 D613K605-N609 VanDerWaalsContact O-CG 3.32Å; K605-N609 PolarHBondContact O-N 3.25Å; N609-I611 PolarHBondContact O-N 2.92Å; N609-I611 VanDerWaalsContact O-N 3.09Å; N609-Q612 PolarHBondContact O-N 3.29Å; N609-Q612 VanDerWaalsContact O-N 3.1Å; N609-D613 PolarHBondContact O-N 3.19Å
610S39.5Very low39.2Very low67 Ų67120.6 Ų120.647%0.46964%0.644SS.*Hα-helixtrans-65.3-14.1178.766.70000114.4F606 T607 D608 N614F606-S610 PolarHBondContact O-N 3.38Å; T607-S610 PolarHBondContact O-OG 3.02Å; D608-S610 PolarHBondContact O-N 2.95Å; S610-N614 PolarHBondContact O-ND2 3.03Å
611I40.6Very low38.4Very low109 Ų109127.6 Ų127.656%0.55967%0.668SS**Hα-helixtrans-95.9-19.8177.7-66.9171.8000112.2T607 D608 N609T607-I611 WeakPolarHBondContact O-CG1 3.39Å; D608-I611 PolarHBondContact O-N 3.31Å; D608-I611 VanDerWaalsContact O-N 3.14Å; N609-I611 PolarHBondContact O-N 2.92Å; N609-I611 VanDerWaalsContact O-N 3.09Å
612Q37.7Very low37.9Very low128 Ų128132.4 Ų132.460%0.59868%0.684SS**Hα-helixtrans-89.5-35.2178.4-65.7-163.214.700114.1D608 N609 N614 R615D608-Q612 PolarHBondContact O-N 3.42Å; N609-Q612 PolarHBondContact O-N 3.29Å; N609-Q612 VanDerWaalsContact O-N 3.1Å; Q612-N614 VanDerWaalsContact C-N 3.32Å; Q612-N614 PolarHBondContact O-N 3.43Å; Q612-R615 PolarHBondContact O-N 3.47Å
613D36Very low37.3Very low121 Ų121131.8 Ų131.865%0.64770%0.698SS**G310 helixtrans-70.8-27.2-178-70.3-36.2000113.2N609 R615N609-D613 PolarHBondContact O-N 3.19Å; D613-R615 PolarHBondContact O-N 2.81Å
614N35.4Very low36.8Very low142 Ų142133.6 Ų133.676%0.75971%0.706SS**G310 helixtrans-72.314175.5-77.4-66.2000114.7S610 Q612S610-N614 PolarHBondContact O-ND2 3.03Å; Q612-N614 VanDerWaalsContact C-N 3.32Å; Q612-N614 PolarHBondContact O-N 3.43Å
615R36.4Very low36.3Very low212 Ų212135 Ų13580%0.871%0.714SS**G310 helixtrans-127.27-178.2-86.6-179164.4170.4-4.1116Q612 D613Q612-R615 PolarHBondContact O-N 3.47Å; D613-R615 PolarHBondContact O-N 2.81Å
616K36.1Very low35.9Very low183 Ų183132.8 Ų132.880%0.79672%0.718SS**SBendtrans-118.70.8-176.8-72.4-178.6178.4172.10116.5
617S34.9Very low35.5Very low121 Ų121129 Ų12985%0.84671%0.713SS**SBendtrans-106.210.5-174.5-166.50000115.6
618A29.3Very low35.3Very low98 Ų98134.6 Ų134.681%0.8173%0.73SS**  trans-119.459.7-16800000113.3
619L32.7Very low35.1Very low177 Ų177136.4 Ų136.493%0.92775%0.746SS**  trans-153.837.4179.5-120.1172.2000115
620A34.7Very low34.7Very low92 Ų92141.3 Ų141.376%0.7676%0.763SS**  trans-143.1150.8172.400000112.4
621E33.1Very low34.2Very low199 Ų199144.3 Ų144.393%0.9377%0.773SS**  trans58.8132.1169-57.4-167.1127.700119.5
622K33.6Very low33.8Very low204 Ų204146.5 Ų146.589%0.88778%0.781SS**  trans-122.4146.8179.1-69.9177.4178174.70109.8
623A34.1Very low33.5Very low94 Ų94147.7 Ų147.778%0.77778%0.784SS**  trans69.515916900000114.5
624I34.4Very low33.4Very low153 Ų153149 Ų14979%0.78579%0.789SS**  cis-133.411717.1-65.9171.4000112.4
625I32.6Very low33.2Very low149 Ų149151 Ų15176%0.76479%0.791SS**  trans40.9125131.8-54.2171.7000121.3
626S32.5Very low32.7Very low104 Ų104152.2 Ų152.273%0.72780%0.796SS**  trans76.6146.3145.6178.50000120.8
627S32.6Very low32.6Very low92 Ų92149 Ų14964%0.64380%0.796SS**  cis-171.6176.7-25.960.10000111.9
628K36.3Very low32.6Very low195 Ų195148.4 Ų148.485%0.84879%0.792SS**  trans84.7120165.6-64.5178.5-179.9176.80119.3
629P34.3Very low32.6Very low122 Ų122148.7 Ų148.779%0.79279%0.788SS**  trans-100.5176.3165.540.1-33.9000112.6
630F32Very low32.8Very low206 Ų206145.4 Ų145.490%0.90478%0.778SS**  trans-139.8155.1161.3-138.8-97.9000112.2
631L28Very low32.7Very low129 Ų129150 Ų15068%0.67578%0.783SS**  trans-154.5133.9-160.8176.9153.8000112.9K633L631-K633 HydrophobicContact CD2-CG 4.38Å
632H34Very low32.5Very low156 Ų156146 Ų14672%0.72277%0.773SS**  trans-151.4126.3164.7-119-111.8000108.4
633K31.4Very low32.4Very low153 Ų153143.7 Ų143.767%0.66577%0.77SS**  61.1131.665.4-67.4176.1176.2172.30111.2L631L631-K633 HydrophobicContact CD2-CG 4.38Å
634I32.6Very low32.1Very low148 Ų148147.9 Ų147.976%0.75977%0.771SS**  cis-162.317125.9-145165.1000108.9
635K31Very low31.7Very low183 Ų183146.2 Ų146.280%0.79677%0.772SS**  cis-145.6-113.210.4-159.4164-166.7179.80112.5
636R27.4Very low31.4Very low239 Ų239145.8 Ų145.890%0.90277%0.771SS**  trans-156.1171.2-177.7-69.8-179.1173.9161.6-5107.8
637S33.9Very low31.2Very low114 Ų114145.8 Ų145.880%0.79777%0.766SS**  cis-155.2-163.529.662.90000109.7
638S34Very low30.7Very low110 Ų110150.4 Ų150.477%0.76978%0.775SS**  cis-145.4-129.914.961.80000113.9
639S29.7Very low30.3Very low104 Ų104150.7 Ų150.773%0.72777%0.772SS**  trans-175.6176.7-161.959.60000111.4
640P36.5Very low29.9Very low108 Ų108150.1 Ų150.170%0.70177%0.771SS**  cis-128172.2-16.731.5-11.9000114
641E32.8Very low29.6Very low188 Ų188146.5 Ų146.588%0.87977%0.765SS**  177.4161113.8-97.9-173.7-173.800114.2
642T28.8Very low29.7Very low116 Ų116146.5 Ų146.571%0.71277%0.774SS**  trans-82.9145.8-168.149.90000113.2
643N31.2Very low29.4Very low154 Ų154143.2 Ų143.282%0.82477%0.773SS**  -163.8155.369.7-102.4-49.6000114
644K27.3Very low29.3Very low182 Ų182143 Ų14379%0.79178%0.784SS**  trans-122.5142.7167.4-71.5-176.3178.6179.60109.9
645C26.7Very low29Very low119 Ų119139.4 Ų139.480%0.80478%0.783SS**  trans-110.999.3161.8-165.10000109.8
646N25.9Very low28.8Very low139 Ų139140 Ų14074%0.74379%0.786SS**  trans-97.5103.1169.1-87.30.9000108.5K648N646-K648 PolarHBondContact O-N 3.31Å
647V28.2Very low28.8Very low104 Ų104138 Ų13863%0.6378%0.784SS**  trans-81.8106.3169.9-178.50000108.9Y649V647-Y649 HydrophobicContact CG1-CD2 4.04Å; V647-Y649 HydrophobicContact CG1-CE2 3.78Å
648K23.7Very low28.7Very low190 Ų190139.7 Ų139.783%0.82678%0.783SS**PPolyproline II helixtrans-77.3126.6165-65.7177.5179.3177.70108.3N646N646-K648 PolarHBondContact O-N 3.31Å
649Y26.7Very low28.6Very low200 Ų200141.6 Ų141.678%0.78478%0.778SS**PPolyproline II helixtrans-93.8117.2159.3-88-80.5000109.3V647V647-Y649 HydrophobicContact CG1-CD2 4.04Å; V647-Y649 HydrophobicContact CG1-CE2 3.78Å
650S26.9Very low28.9Very low111 Ų111140.2 Ų140.278%0.77676%0.762SS**PPolyproline II helixtrans-73.1125.4176-58.90000110.1P652S650-P652 WeakPolarHBondContact O-CD 3.45Å
651T25.4Very low28.7Very low129 Ų129142.8 Ų142.879%0.79176%0.764SS**PPolyproline II helixtrans-74.6125.3170.834.20000110.8A653T651-A653 PolarHBondContact O-N 3.44Å
652P29.6Very low28.9Very low130 Ų130136.4 Ų136.484%0.84474%0.741SS**PPolyproline II helixtrans-65.3125.1160.5-16.131.2000108.8S650S650-P652 WeakPolarHBondContact O-CD 3.45Å
653A27.7Very low29.4Very low86 Ų86135.8 Ų135.871%0.71173%0.73SS**  trans-81.9174.6173.700000111.5T651T651-A653 PolarHBondContact O-N 3.44Å
654V30Very low29.8Very low149 Ų149131.5 Ų131.590%0.90370%0.704SS**  trans72.3110176.7-167.70000114.1
655G25.2Very low30.4Very low72 Ų72125.7 Ų125.774%0.74269%0.69SS**  trans-92.7156.8-177.100000114.9
656K28.4Very low31.1Very low197 Ų197125.1 Ų125.186%0.85768%0.678SS**  trans-133128.6155.9-84.4-179.9177172.10109.2L658K656-L658 PolarHBondContact O-N 2.79Å; K656-L658 VanDerWaalsContact O-N 3.11Å
657K26.1Very low32Very low196 Ų196121.1 Ų121.185%0.85266%0.655SS**  trans-69.4101175-172.5-178.1-176.2-175.30108.9
658L31.8Very low32.5Very low150 Ų150121.5 Ų121.579%0.78565%0.648SS**  trans-75.2145.6-175-83167000112.9K656 L660K656-L658 PolarHBondContact O-N 2.79Å; K656-L658 VanDerWaalsContact O-N 3.11Å; L658-L660 PolarHBondContact O-N 3.46Å; L658-L660 VanDerWaalsContact O-N 3.15Å
659K31.9Very low33.4Very low149 Ų149115.8 Ų115.865%0.64863%0.632SS**  trans-86.525-153.3-96.1-172.5174.5-174.30117E661 S662 E663K659-E661 PolarHBondContact O-N 3.19Å; K659-S662 WeakPolarHBondContact CB-OG 3.27Å; K659-S662 WeakPolarHBondContact CG-OG 3.43Å; K659-S662 PolarHBondContact O-N 2.91Å; K659-S662 PolarHBondContact O-OG 3.34Å; K659-E663 PolarHBondContact O-N 3.2Å
660L36Very low34.1Very low76 Ų76113 Ų11340%0.39863%0.626SS.*Hα-helixtrans-55.3-29.3-170.6-133.497.8000114.7L542 L658L542-L660 HydrophobicContact CD1-CD1 3.73Å; L658-L660 PolarHBondContact O-N 3.46Å; L658-L660 VanDerWaalsContact O-N 3.15Å
661E33.3Very low34.6Very low161 Ų161112 Ų11275%0.75262%0.618SS**Hα-helixtrans-76.5-33.9179.4-61.8178.7134.900112.9K659 A665K659-E661 PolarHBondContact O-N 3.19Å; E661-A665 PolarHBondContact O-N 3.36Å
662S36Very low35.1Very low54 Ų54113.2 Ų113.238%0.37861%0.612SS.*Hα-helixtrans-75.9-31.8-179.744.80000113.4K659 A665 N666K659-S662 WeakPolarHBondContact CB-OG 3.27Å; K659-S662 WeakPolarHBondContact CG-OG 3.43Å; K659-S662 PolarHBondContact O-N 2.91Å; K659-S662 PolarHBondContact O-OG 3.34Å; S662-A665 WeakPolarHBondContact O-CB 3.4Å; S662-A665 PolarHBondContact O-N 3.05Å; S662-N666 PolarHBondContact O-N 3.07Å
663E39.3Very low35.2Very low104 Ų104111.8 Ų111.849%0.48661%0.606SS.*Hα-helixtrans-70.8-37.7175.1-72.9157.2-163.300110.9K659 A665 N666 F667K659-E663 PolarHBondContact O-N 3.2Å; E663-A665 VanDerWaalsContact C-N 3.27Å; E663-A665 PolarHBondContact O-N 3.13Å; E663-N666 PolarHBondContact O-N 2.87Å; E663-F667 PolarHBondContact O-N 3.2Å
664F40.6Very low35.5Very low64 Ų64117 Ų11728%0.28162%0.615SS.*Hα-helixtrans-63.8-30.2173.2-170.9-113.6000113K668F664-K668 HydrophobicContact CE1-CD 4.35Å; F664-K668 WeakPolarHBondContact O-CB 3.43Å; F664-K668 PolarHBondContact O-N 3.44Å; F664-K668 VanDerWaalsContact O-N 3.09Å
665A39.6Very low35.4Very low59 Ų59115.8 Ų115.849%0.48861%0.608SS.*Hα-helixtrans-66.5-40.817400000112.4E661 S662 E663 K668 S669E661-A665 PolarHBondContact O-N 3.36Å; S662-A665 WeakPolarHBondContact O-CB 3.4Å; S662-A665 PolarHBondContact O-N 3.05Å; E663-A665 VanDerWaalsContact C-N 3.27Å; E663-A665 PolarHBondContact O-N 3.13Å; A665-K668 PolarHBondContact O-N 3.28Å; A665-S669 PolarHBondContact O-N 3.32Å
666N41.4Very low35.7Very low107 Ų107120.4 Ų120.457%0.57261%0.614SS**Hα-helixtrans-69.1-40.9175.7-73.1-5.7000112.1S662 E663 K668 S669 Q670S662-N666 PolarHBondContact O-N 3.07Å; E663-N666 PolarHBondContact O-N 2.87Å; N666-K668 PolarHBondContact O-N 3.28Å; N666-S669 PolarHBondContact O-N 2.98Å; N666-S669 VanDerWaalsContact O-N 3.11Å; N666-S669 PolarHBondContact O-OG 2.73Å; N666-Q670 PolarHBondContact O-N 3Å; N666-Q670 VanDerWaalsContact O-N 3.07Å
667F43.8Very low35.7Very low56 Ų56115.9 Ų115.925%0.24661%0.608CS.*Hα-helixtrans-56.5-40.5172.2-176.2-100.9000111.4E663 S669 Q670 C671E663-F667 PolarHBondContact O-N 3.2Å; F667-S669 VanDerWaalsContact C-N 3.28Å; F667-S669 PolarHBondContact O-N 3.24Å; F667-Q670 PolarHBondContact O-N 3.4Å; F667-C671 VanDerWaalsContact CZ-SG 3.59Å; F667-C671 WeakPolarHBondContact O-CB 3.2Å; F667-C671 PolarHBondContact O-N 3.29Å
668K38.9Very low35.9Very low111 Ų111112.6 Ų112.648%0.48361%0.606SS.*Hα-helixtrans-77.5-3.5-180-142.4170.4-166.1173.60115F664 A665 N666 K672F664-K668 HydrophobicContact CE1-CD 4.35Å; F664-K668 WeakPolarHBondContact O-CB 3.43Å; F664-K668 PolarHBondContact O-N 3.44Å; F664-K668 VanDerWaalsContact O-N 3.09Å; A665-K668 PolarHBondContact O-N 3.28Å; N666-K668 PolarHBondContact O-N 3.28Å; K668-K672 WeakPolarHBondContact O-CD 3.26Å; K668-K672 VanDerWaalsContact O-CE 3.29Å; K668-K672 WeakPolarHBondContact O-CE 3.39Å; K668-K672 WeakPolarHBondContact O-CG 3.44Å
669S42.8Very low35.9Very low71 Ų71113.3 Ų113.350%0.49761%0.609SS.*Hα-helixtrans-97.7-41.6165.664.20000111.8A665 N666 F667 K672A665-S669 PolarHBondContact O-N 3.32Å; N666-S669 PolarHBondContact O-N 2.98Å; N666-S669 VanDerWaalsContact O-N 3.11Å; N666-S669 PolarHBondContact O-OG 2.73Å; F667-S669 VanDerWaalsContact C-N 3.28Å; F667-S669 PolarHBondContact O-N 3.24Å; S669-K672 PolarHBondContact O-N 3.32Å
670Q42.5Very low35.9Very low142 Ų142115.6 Ų115.666%0.66462%0.619SS**Hα-helixtrans-62-47176.6-72.5179.4-5400112.3N666 F667 K672 S673N666-Q670 PolarHBondContact O-N 3Å; N666-Q670 VanDerWaalsContact O-N 3.07Å; F667-Q670 PolarHBondContact O-N 3.4Å; Q670-K672 PolarHBondContact O-N 3.45Å; Q670-S673 PolarHBondContact O-N 3.28Å; Q670-S673 PolarHBondContact O-OG 3.09Å
671C35.8Very low35.7Very low89 Ų89121.9 Ų121.960%0.60164%0.643SS**THydrogen-bonded Turntrans-73.315.3-179.8-63.50000115.4F667F667-C671 VanDerWaalsContact CZ-SG 3.59Å; F667-C671 WeakPolarHBondContact O-CB 3.2Å; F667-C671 PolarHBondContact O-N 3.29Å
672K35.6Very low35.7Very low154 Ų154120.2 Ų120.267%0.6765%0.649SS**THydrogen-bonded Turntrans-111.40.1175.3-71.6-172.8-180-178.20114.4K668 S669 Q670 E674K668-K672 WeakPolarHBondContact O-CD 3.26Å; K668-K672 VanDerWaalsContact O-CE 3.29Å; K668-K672 WeakPolarHBondContact O-CE 3.39Å; K668-K672 WeakPolarHBondContact O-CG 3.44Å; S669-K672 PolarHBondContact O-N 3.32Å; Q670-K672 PolarHBondContact O-N 3.45Å; K672-E674 PolarHBondContact O-N 2.75Å
673S32.8Very low35.4Very low101 Ų101121.5 Ų121.571%0.70667%0.671SS**  trans-96.933.4-17257.80000114.8Q670Q670-S673 PolarHBondContact O-N 3.28Å; Q670-S673 PolarHBondContact O-OG 3.09Å
674E33.6Very low35.1Very low194 Ų194122.6 Ų122.691%0.90769%0.69SS**  trans-137.5117.9168.4-105.2171.4-153.400109.3K672K672-E674 PolarHBondContact O-N 2.75Å
675T28.2Very low34.6Very low124 Ų124124 Ų12476%0.76171%0.714SS**  trans-120.4112.8-167-58.50000111.6
676I31.7Very low34.3Very low170 Ų170129.4 Ų129.487%0.87273%0.733SS**  trans-129137.3162.3-61.1-177.1000108.6
677S29Very low33.8Very low102 Ų102130.9 Ų130.971%0.71374%0.74SS**PPolyproline II helixtrans-81135-156-49.10000115.3
678P30.1Very low33.4Very low126 Ų126137.3 Ų137.382%0.81877%0.768SS**PPolyproline II helixtrans-87.3141.1168.233.9-32.6000112.4
679I31.3Very low32.9Very low166 Ų166141.2 Ų141.285%0.85179%0.788SS**PPolyproline II helixtrans-95.5150.7175.9-68.5176.4000111.1
680K32.5Very low32.3Very low196 Ų196141.5 Ų141.585%0.85280%0.802SS**PPolyproline II helixtrans-66.3144.2-174-58.8162.4-175.11730110.9
681K30.4Very low31.5Very low209 Ų209141.8 Ų141.891%0.90981%0.813SS**  cis9196.730.4-150.5-166-160.7-165.70114.7
682S33Very low31Very low125 Ų125143.5 Ų143.587%0.87482%0.824SS**  trans-166.5138.415952.90000110.1
683G31.4Very low30.5Very low81 Ų81145.1 Ų145.184%0.83583%0.834SS**  cis145.892.8-14.200000114.7
684S32.5Very low30.4Very low127 Ų127146.2 Ų146.289%0.88884%0.842SS**  trans-162.7143164.456.50000110.9
685A30.5Very low30.1Very low95 Ų95145.5 Ų145.579%0.78584%0.839SS**  trans-143.8149.6176.400000110.6
686I33.5Very low30.1Very low172 Ų172146.5 Ų146.588%0.88284%0.839SS**  trans-140.8130.8166.9-62.9-176.1000107.9
687D29.6Very low29.8Very low137 Ų137143 Ų14373%0.73383%0.83SS**  trans-85.9156.4177.4-56-73.8000112.6
688K35.5Very low29.9Very low192 Ų192146 Ų14684%0.83584%0.838SS**  176.5137.9104.9-92.6168.3-175.5176.80115.1
689H29.8Very low29.6Very low193 Ų193146.7 Ų146.789%0.89483%0.829SS**  trans6.9136156-62.1-81.7000122.2
690G28.7Very low29.6Very low76 Ų76146.8 Ų146.878%0.78483%0.827SS**  trans-178.3103154.400000111.4
691V25.2Very low29.2Very low148 Ų148142.9 Ų142.990%0.89782%0.816SS**  trans-135.8125.7-178.3172.90000110
692C27.2Very low29.2Very low125 Ų125142.8 Ų142.885%0.84582%0.816SS**  trans-167.2156.9133.8-145.80000111.3
693E23.7Very low28.9Very low188 Ų188141.8 Ų141.888%0.87981%0.809SS**  trans-109.8149.8170.3-60.6166.4127.500108.9
694S31.9Very low28.7Very low124 Ų124145.2 Ų145.287%0.86781%0.808SS**  trans-164.5163.3156.461.70000111.2
695E27.3Very low28.6Very low179 Ų179146.7 Ų146.784%0.83681%0.806SS**  trans-113.6171.2-161.8-61.8168.1120.800114.4
696D27.4Very low28.5Very low146 Ų146145.1 Ų145.178%0.78180%0.799SS**  trans70.1147.8150.4-71.3-15.5000125
697S25.8Very low28.3Very low97 Ų97146.2 Ų146.268%0.67880%0.801SS**  trans38.9133.2154.555.20000120.5
698D30.7Very low28.1Very low165 Ų165146 Ų14688%0.88280%0.795SS**  -165.7-178.670.3-117.5-30000116.4
699F22.9Very low27.7Very low140 Ų140142.2 Ų142.261%0.61479%0.788SS**  trans-109.7147.1-175.8158.7-79.1000113.3D701F699-D701 WeakPolarHBondContact CZ-OD2 3.48Å
700M31.8Very low27.6Very low168 Ų168140.1 Ų140.183%0.82878%0.777SS**  trans-160.8155.7157-93.8-50.7144.600113.7
701D25.2Very low27.6Very low113 Ų113145.2 Ų145.260%0.60478%0.78SS**  trans-87.9177.9-175.8-71.3-63.2000116.1F699F699-D701 WeakPolarHBondContact CZ-OD2 3.48Å
702F29.1Very low27.9Very low207 Ų207142.6 Ų142.691%0.90877%0.766SS**  -179.9160.3124.9-93.9-61.1000113.8
703S27.1Very low28Very low105 Ų105142.5 Ų142.573%0.73476%0.761SS**  trans-114.3-172.3-166.2-34.60000114.1
704D28.1Very low28.2Very low152 Ų152139.8 Ų139.881%0.81375%0.753SS**  cis-137.6-127.56.1-137.6-63.8000112.8
705D30.1Very low28Very low158 Ų158140.1 Ų140.185%0.84574%0.744SS**  cis-161.3177.911.2-168.55.2000110.8
706G27.8Very low28Very low63 Ų63139.7 Ų139.765%0.64974%0.74SS**  trans-80.5-163.1-173.300000118.3
707E28.5Very low28Very low195 Ų195139.9 Ų139.991%0.91174%0.741SS**  cis-155.3-1694.5-144.3-169.2-178.800113.2
708E27.2Very low28.2Very low132 Ų132145.6 Ų145.662%0.61775%0.753SS**  trans-80.9167.3-163.4-58.4-166.913800117.8K710E708-K710 WeakPolarHBondContact OE2-CE 3.38Å; E708-K710 IonicContact OE2-NZ 3.59Å; E708-K710 PolarHBondContact OE2-NZ 2.83Å
709T26.5Very low28Very low112 Ų112143 Ų14369%0.68775%0.748SS**  179.4134.876.635.60000117.9
710K27.4Very low28.3Very low150 Ų150144.4 Ų144.465%0.65276%0.759SS**  trans48.3110.8134.4-65145-168.1147.90120.7E708E708-K710 WeakPolarHBondContact OE2-CE 3.38Å; E708-K710 IonicContact OE2-NZ 3.59Å; E708-K710 PolarHBondContact OE2-NZ 2.83Å
711H29.3Very low28.1Very low182 Ų182143.5 Ų143.584%0.84376%0.757SS**  84.7160.682.9-91.9-37.3000116.8
712P32Very low28.4Very low94 Ų94147.5 Ų147.561%0.6177%0.769SS**  cis-142153.5-23.838.1-19.5000117.6
713T28.2Very low28.3Very low122 Ų122144.5 Ų144.575%0.74876%0.763SS**  trans56.5148.4147.3630000121.6
714N27Very low28.5Very low132 Ų132148.3 Ų148.371%0.70677%0.769SS**  cis-171.9142.348-126-22000116
715L28Very low28.6Very low130 Ų130147 Ų14768%0.68177%0.767SS**  trans67.2136.5139.5-75.9164.8000127.4
716K28.3Very low28.7Very low170 Ų170146.7 Ų146.774%0.73976%0.764SS**  trans96.985.4137.6-78.6164.8-176.2175.90122.8
717N26.8Very low28.7Very low151 Ų151151.1 Ų151.181%0.80777%0.773SS**  33.3130.1116.4-54.73.6000121.6
718K29.7Very low28.8Very low216 Ų216151 Ų15194%0.93977%0.765SS**  -162.2161106.3-110.5176.3-179.1-179.10112.2
719S26.4Very low28.8Very low110 Ų110152.7 Ų152.777%0.76977%0.771SS**  trans-115.2168179.663.60000111.7
720M30.6Very low28.9Very low170 Ų170158.5 Ų158.584%0.83778%0.781SS**  trans-164.1145.3140.1-109.9174.374.100112.3
721N26.4Very low29Very low150 Ų150157 Ų15780%0.80278%0.784SS**  trans-92.4158.9169.4-74-3.3000110.7
722K32.8Very low29Very low196 Ų196158.3 Ų158.385%0.85279%0.787SS**  trans-167.8141.2133.3-110.1169.9-178.2-175.60112.7
723D26.9Very low28.9Very low145 Ų145163 Ų16378%0.77580%0.801SS**  trans-96.3171167.1-72.1-69.8000111
724Q30.1Very low28.9Very low185 Ų185164.9 Ų164.986%0.86481%0.806SS**  trans68.6144.7173.5-49.2175.4-300113.4
725T31.4Very low29.2Very low124 Ų124168 Ų16876%0.76182%0.816SS**  cis-142.6-164.4-3.9-8.50000106.3
726L31.1Very low29.4Very low151 Ų151166.4 Ų166.479%0.79182%0.816SS**  cis-155.7168.39.1-138.9162.8000106.8
727N27.9Very low29.6Very low157 Ų157165 Ų16584%0.8482%0.816SS**  trans-146.496.5175.4-16813.1000112.9
728Y30.1Very low30Very low191 Ų191163.6 Ų163.675%0.74982%0.819SS**  trans-163.8116.2170.8-160.9-89.8000112
729F28.3Very low30Very low169 Ų169164.6 Ų164.674%0.74182%0.816SS**  trans167.5138.9142.3-115.9-89.7000109.8
730W28.7Very low30.4Very low234 Ų234165.8 Ų165.889%0.88682%0.819SS**  trans173.489.3139.5-110.367000110
731T28.6Very low30.4Very low117 Ų117166.8 Ų166.872%0.71882%0.822SS**  trans-143.5138.2165.738.10000109.4
732K30.5Very low30.7Very low210 Ų210163.4 Ų163.491%0.91382%0.822SS**  trans53.7111179.2-65.8-166174.7-169.30117.4
733Q29.6Very low30.6Very low192 Ų192162.5 Ų162.590%0.89783%0.827SS**  trans-139.980.1145.3-168.6176.214.800109.5
734L28.9Very low30.9Very low162 Ų162159.2 Ų159.285%0.84883%0.828SS**  trans-152.2147.7165.5-101.7176.3000107.8
735Q33.1Very low30.9Very low197 Ų197159.9 Ų159.992%0.92183%0.828SS**  trans67.4144.4-169.7-62.7174.6-28.700114.7
736S30.5Very low30.9Very low97 Ų97161.4 Ų161.468%0.67883%0.83SS**  trans-123.2176.6-167.250.70000111.7
737D33.4Very low30.9Very low140 Ų140161.6 Ų161.675%0.74983%0.832SS**  trans79.7152.8157.3-54.2-55.4000120.3
738S34.4Very low31Very low123 Ų123163 Ų16386%0.8683%0.83SS**  trans74.3129.4179.1710000118.9
739R30.5Very low31Very low236 Ų236161.9 Ų161.989%0.89184%0.837SS**  trans-78.6169173.3-60.2160.5-178.9158.3-1.2108
740T34.4Very low31.2Very low136 Ų136158.1 Ų158.183%0.83484%0.838SS**  cis-166.2177.147.6-40.70000110.8
741E30.5Very low31.3Very low191 Ų191154.8 Ų154.889%0.89384%0.837SS**  trans-79.1157.8-169.5-54.3173.5121.400115.6
742G33.5Very low31.4Very low78 Ų78156.2 Ų156.280%0.80484%0.84SS**  trans-172.6119.1169.200000112.5
743N30.6Very low31.4Very low177 Ų177154.2 Ų154.295%0.94783%0.834SS**  trans-90.1140.2-174.2-94.7-67.4000113.5
744G32.6Very low31.4Very low77 Ų77155.9 Ų155.979%0.79483%0.832SS**  trans-168.6115.5168.600000112.8
745K30.5Very low31.4Very low199 Ų199153.7 Ų153.787%0.86582%0.822SS**  trans-96.2140.4178.1-61.4170.9-178.6169.60110.7
746L31.6Very low31.3Very low155 Ų155148.6 Ų148.681%0.81281%0.808SS**  -169.8135.9125.9-110.1151000115.3
747N31.6Very low31.4Very low155 Ų155149.3 Ų149.383%0.82981%0.808SS**  trans57.2158.2158.1-90.6-10.5000122.9
748K29.8Very low31.2Very low186 Ų186152.2 Ų152.281%0.80982%0.817SS**  trans-119.9140.1-177.7-56.3169.9-178.9174.10108.9
749N30Very low31.4Very low168 Ų168152.7 Ų152.790%0.89882%0.815SS**  trans172.1118133.1-89.7-10.2000109.2
750A31.6Very low31.5Very low90 Ų90148.6 Ų148.674%0.74481%0.81SS**  trans-152.7120.7170.300000109.7
751N30.8Very low31.4Very low165 Ų165147.3 Ų147.388%0.88281%0.805SS**  trans-83.2115169.6-74.4-31.5000108.6Q753N751-Q753 PolarHBondContact O-N 2.9Å; N751-Q753 VanDerWaalsContact O-N 3.12Å
752N31.7Very low31.7Very low146 Ų146144.7 Ų144.778%0.78180%0.797SS**  trans-84.186.6172.8-82.4-2.2000110.6
753Q29.7Very low31.9Very low168 Ų168148.3 Ų148.379%0.78580%0.796SS**  trans-80.1111.5169.3179.7168.6-31.100109.2N751 D755N751-Q753 PolarHBondContact O-N 2.9Å; N751-Q753 VanDerWaalsContact O-N 3.12Å; Q753-D755 PolarHBondContact O-N 3.07Å
754W29.5Very low32Very low227 Ų227149.3 Ų149.386%0.8679%0.792SS**  trans-76.791.8176-79-5.8000111.4K357K357-W754 PolarHBondContact NZ-O 3.11Å
755D29.3Very low31.9Very low117 Ų117148.8 Ų148.863%0.62679%0.787SS**  trans-65.6169.1161.3-143.5-24.8000111.3Q753 T757Q753-D755 PolarHBondContact O-N 3.07Å; D755-T757 PolarHBondContact OD1-OG1 3.11Å
756S30.5Very low31.9Very low89 Ų89144.8 Ų144.862%0.62278%0.782SS**  trans-15056.8-174.6-58.10000113K357K357-S756 PolarHBondContact NZ-OG 3.08Å
757T32Very low31.9Very low112 Ų112144.7 Ų144.769%0.68778%0.783SS**  trans-138.649.8-174.5340000111.7D755D755-T757 PolarHBondContact OD1-OG1 3.11Å
758E30.7Very low31.8Very low201 Ų201148 Ų14894%0.93978%0.784SS**  trans-111.2104.6158.4-72.5-173.8155.600108.6
759V37.1Very low31.8Very low134 Ų134147.1 Ų147.181%0.81279%0.786SS**  trans-101.9127.4168.8175.60000106.9P761V759-P761 WeakPolarHBondContact O-CD 3.5Å
760D34.3Very low31.5Very low149 Ų149145.4 Ų145.480%0.79778%0.776SS**  trans-64.1115.7-177.5-152.2-15.9000110.4D762D760-D762 PolarHBondContact O-N 2.66Å
761P30.9Very low31.5Very low110 Ų110147.1 Ų147.171%0.71478%0.777SS**  trans-9628.3-162.238.2-37.1000115V759V759-P761 WeakPolarHBondContact O-CD 3.5Å
762D37.1Very low31.4Very low136 Ų136146.5 Ų146.573%0.72777%0.769SS**  trans-12755.6-169.1-110-29.5000115.7D760D760-D762 PolarHBondContact O-N 2.66Å
763I37.6Very low31.5Very low154 Ų154145.1 Ų145.179%0.7976%0.762SS**  trans-132.7117.4153.5-57.3-178.4000109.1
764K32.2Very low31.6Very low197 Ų197145.5 Ų145.586%0.85776%0.761SS**  trans-124140.8174.6-77.81751751640110.5
765G31.4Very low31.8Very low67 Ų67139.8 Ų139.869%0.69175%0.747SS**  trans98.4137.9-175.100000111.7
766C30.3Very low32Very low114 Ų114144.4 Ų144.477%0.7776%0.756SS**  cis-133.11405.4-101.80000113.3
767D31.9Very low32Very low153 Ų153144.5 Ų144.582%0.81876%0.756SS**  trans62.7146.9141-58.3-51.6000123.7
768R28.5Very low32.3Very low224 Ų224144.4 Ų144.485%0.84576%0.758SS**  trans-100.9149.4-176.7-60.8163.5166.5167.9-7.8110.4L770R768-L770 HydrophobicContact CB-CD1 4.4Å
769I30.4Very low32.4Very low169 Ų169141.6 Ų141.687%0.86775%0.749SS**  trans-129.7125.2152-62-177.3000108.7
770L24.9Very low32.3Very low132 Ų132143.5 Ų143.569%0.69175%0.754SS**  trans-102.8133.5170.7-72.187.3000110.3R768R768-L770 HydrophobicContact CB-CD1 4.4Å
771V31.5Very low32.2Very low125 Ų125140.9 Ų140.976%0.75875%0.747SS**  trans-151.498.1149.4-173.90000105.8
772Q28.4Very low32.5Very low152 Ų152141.9 Ų141.971%0.7175%0.747SS**  57.8110.279.3-70.2-164.1-6.500116.3
773N33.4Very low32.7Very low117 Ų117143.1 Ų143.163%0.62675%0.753SS**  166.8123.2116-88.5-64.9000109.5
774K32Very low32.9Very low177 Ų177143.3 Ų143.377%0.7776%0.756SS**  64.9132.5101.9-64.6-172.7-175.4178.10114.2
775D34.6Very low33.3Very low107 Ų107140.6 Ų140.657%0.57275%0.751SS**  cis-159.5162.416.7-120.917.8000108.5
776R32.1Very low33.8Very low213 Ų213144.5 Ų144.580%0.80476%0.756SS**  cis-161.9163.1-0.3-162.4-177.2-67.6166.83.9109.7
777S29.9Very low34.1Very low91 Ų91145.1 Ų145.164%0.63675%0.751SS**  trans-72.3179.1160.7-33.60000111.8
778P38.8Very low34.3Very low111 Ų111141.7 Ų141.772%0.72175%0.752SS**  -133.6-175.151.621.64000113.6
779D33.6Very low34.7Very low141 Ų141142.3 Ų142.375%0.75475%0.754SS**  cis-165.8154.7-26.3-89.8-18.8000107.1
780L35Very low35Very low175 Ų175140.3 Ų140.392%0.91674%0.741SS**  trans170162.6135.7-90165.9000109.9
781S31.4Very low35.5Very low94 Ų94141.5 Ų141.566%0.65775%0.747SS**  trans-136.5-164.6-147.554.10000115.1
782D38.2Very low35.7Very low131 Ų131142.6 Ų142.670%0.70174%0.742SS**  trans87.493.6168.3-42-3.8000112.4
783D41.2Very low35.9Very low161 Ų161147 Ų14786%0.86175%0.752SS**  86.4158.176.2-67.7-16.2000111.8
784D42.4Very low35.8Very low158 Ų158150.5 Ų150.585%0.84576%0.764SS**  cis-145.9-175.424.5-1687.8000111.7
785D40.2Very low36.2Very low140 Ų140146.9 Ų146.975%0.74976%0.758SS**  trans-81.8163.4-173-98.5-40.6000116.9
786D42Very low36.2Very low149 Ų149149.9 Ų149.980%0.79777%0.769SS**  -179.1176.4107.7-15813.9000114.2
787N35Very low36.2Very low127 Ų127146.2 Ų146.268%0.67977%0.765SS**  trans-123.1160.2-149.2-69.4-100.6000115.4
788G36.6Very low36.4Very low81 Ų81148.9 Ų148.984%0.83577%0.771SS**  trans-146.7114.7167.900000114
789R37.4Very low36.6Very low237 Ų237149.8 Ų149.889%0.89478%0.777SS**  trans-97.9165.6179.5-56.9179.1178.3166.60111.6
790E36.2Very low36.6Very low127 Ų127146.6 Ų146.659%0.59378%0.778SS**  cis-130.6-120.4-7.3-153.7-166-111.200110.6K792E790-K792 IonicContact OE1-NZ 2.73Å; E790-K792 PolarHBondContact OE1-NZ 3.27Å; E790-K792 WeakPolarHBondContact OE2-CG 3.4Å; E790-K792 PolarHBondContact OE2-N 3.17Å; E790-K792 IonicContact OE2-NZ 2.9Å; E790-K792 PolarHBondContact OE2-NZ 3.27Å
791I36.5Very low36.6Very low157 Ų157146.6 Ų146.681%0.80578%0.775SS**  cis-147.5154.5-0.9-158.8168.1000112.5
792K34.8Very low36.8Very low149 Ų149151.3 Ų151.365%0.64878%0.784SS**  trans-78.1156.5-170.5-57.1156.9-175.392.20116E790E790-K792 IonicContact OE1-NZ 2.73Å; E790-K792 PolarHBondContact OE1-NZ 3.27Å; E790-K792 WeakPolarHBondContact OE2-CG 3.4Å; E790-K792 PolarHBondContact OE2-N 3.17Å; E790-K792 IonicContact OE2-NZ 2.9Å; E790-K792 PolarHBondContact OE2-NZ 3.27Å
793R32.8Very low36.4Very low245 Ų245148.1 Ų148.193%0.92578%0.782SS**  -173.3138.5108-95.6163.7-160.4-131.34.1115.1
794H32.2Very low36.1Very low190 Ų190147.2 Ų147.288%0.8878%0.778SS**  trans-114.8-161.4166.5-88.6-69.1000107.3
795P39.2Very low35.6Very low100 Ų100146.6 Ų146.665%0.64977%0.77SS**  cis-139.8-178.5-2.543.8-23.9000116.9
796Q34Very low35.1Very low170 Ų170146.6 Ų146.679%0.79477%0.765SS**  trans33.7157.8131.6-64.3177.1-30.700122.7
797L33.9Very low34.6Very low137 Ų137146.2 Ų146.272%0.71776%0.762SS**  cis-166.5-174.4-4.2-115.5169000112.1
798D34.1Very low34.3Very low146 Ų146144.2 Ų144.278%0.78176%0.758SS**  trans97.7137.9154.1-67-13.8000123.4
799P42.7Very low34Very low130 Ų130147.8 Ų147.884%0.84476%0.758SS**  trans-122.8166.7176.843.2-32.7000116.3
800G33.7Very low33.5Very low75 Ų75143.3 Ų143.377%0.77375%0.752SS**  trans175.694.6167.100000122.1
801M33.5Very low33.3Very low174 Ų174146 Ų14686%0.85777%0.765SS**  trans53.8143.9131.8-132.2-168.1177.700125.8
802K35.3Very low33Very low193 Ų193144.7 Ų144.784%0.83976%0.763SS**  trans79.1147.9162.9-54.6171.8-176.7174.10117.5
803G31.2Very low32.9Very low64 Ų64144.5 Ų144.566%0.6678%0.775SS**  cis169.1165-9.200000114.2
804N34.3Very low32.7Very low143 Ų143137.4 Ų137.477%0.76576%0.763SS**  trans77123.7166.2-60.818.6000117.5
805Q31.9Very low32.8Very low145 Ų145134.2 Ų134.268%0.67875%0.752SS**  72.9142.986.8-67.8171.6-75.100114.1
806E30.6Very low32.5Very low140 Ų140137.2 Ų137.265%0.65476%0.757SS**  cis-165.4177.64.2-126.1165.8-148.800113.1
807L31.3Very low32.2Very low141 Ų141135 Ų13574%0.73876%0.755SS**  trans50109.6152.4-62.3164.4000119.5
808S27.8Very low32Very low84 Ų84140 Ų14059%0.58777%0.765SS**  74.4117.770.676.40000117.4
809N30.7Very low31.6Very low156 Ų156140 Ų14083%0.83476%0.763SS**  176.9169.7126.9-90.9-28000114.5
810N27.8Very low31.1Very low143 Ų143140.1 Ų140.177%0.76576%0.761SS**  trans-86.4159.4-167.5-48-63.3000115.2
811E31.4Very low30.7Very low185 Ų185147.5 Ų147.586%0.86477%0.765SS**  164.4115125-89173.4-179.400108.5
812V29.4Very low30.8Very low128 Ų128144.1 Ų144.178%0.77676%0.759SS**  68.8103.370.8179.40000114.1
813T32.6Very low30.5Very low146 Ų146141.8 Ų141.890%0.89676%0.756SS**  trans-169.4155.6140.110.90000109.7
814S29.3Very low30.6Very low95 Ų95147.8 Ų147.866%0.66477%0.766SS**  trans-99.3170.1-178.651.80000112.6
815D33.4Very low30.4Very low124 Ų124146.2 Ų146.266%0.66376%0.762SS**  -177.6155.5109-92.7-9.3000118.3
816H34.2Very low30.5Very low162 Ų162148.5 Ų148.575%0.7577%0.769SS**  trans59.475.2152.8-61.6-32000122.5
817V28.2Very low30.6Very low124 Ų124148.9 Ų148.975%0.75277%0.771SS**  -2135.9122.5178.90000117.5
818R28Very low30.7Very low243 Ų243150.7 Ų150.792%0.91778%0.775SS**  trans-145.5112.3138.5-132.8175.4-168.41754.9113.2
819I27.1Very low31Very low145 Ų145152.9 Ų152.974%0.74478%0.779SS**  trans-101.1147.5167.2-64.8173.7000107.7
820V31.7Very low31.2Very low132 Ų132151.4 Ų151.480%0.877%0.771SS**  trans-128.4125.7170-179.60000109.8
821R25.6Very low31.6Very low231 Ų231150.7 Ų150.787%0.87277%0.768SS**  trans-146.6119.9165.8-93.3-174.5171.5163.5-3.3108.1
822S34.1Very low31.8Very low102 Ų102148 Ų14871%0.71376%0.759SS**  trans-155122.9150.1-81.50000105.7
823D29.6Very low32.2Very low145 Ų145148.3 Ų148.378%0.77576%0.757SS**  82.4110.166.7-62.4-40.1000112
824E34.2Very low32.3Very low189 Ų189148.6 Ų148.688%0.88375%0.753SS**  trans-159.2152.5137.7-120.9-176.7-157.900110.9
825V29.9Very low32.7Very low110 Ų110150.9 Ų150.967%0.66776%0.756SS**  trans-128.7145.8-165.8172.30000111
826K34.1Very low32.7Very low194 Ų194150.3 Ų150.384%0.84375%0.753SS**  trans-155.2161.8151-105.5129-165.9167.10113
827H32.2Very low32.8Very low147 Ų147151.5 Ų151.568%0.68175%0.752SS**  trans-101.1163.1-161-74-107.4000114.6
828E34.3Very low33.1Very low179 Ų179150.2 Ų150.284%0.83674%0.744SS**  155.7115.2125.1-82.7166.1-157.400108.7
829I33.2Very low33.3Very low130 Ų130145.8 Ų145.867%0.66774%0.739SS**  67.9116.262.3-59.7170.8000109.1
830N35.7Very low33.7Very low126 Ų126149 Ų14967%0.67475%0.748SS**  cis-166.3171.937.8-136.6-2.4000113.9
831N35.5Very low33.6Very low128 Ų128148 Ų14868%0.68475%0.746SS**  trans64.9145.6145.8-70-2.1000121.9
832N35.7Very low34Very low128 Ų128146.5 Ų146.568%0.68475%0.749SS**  cis-165.8-168.8-18.1-147.741.2000112.3
833D37.1Very low33.8Very low135 Ų135146.1 Ų146.172%0.72275%0.746SS**  trans84.455.2154-55-22.3000121.9
834N34.5Very low34.1Very low152 Ų152149.1 Ų149.181%0.81375%0.748SS**  47.4153.599.1-140.19.8000124
835I37.7Very low34Very low142 Ų142146.8 Ų146.873%0.72874%0.742SS**  trans102.981161.2-54.3166.4000119.5
836D34.8Very low33.9Very low112 Ų112148.3 Ų148.360%0.59975%0.752SS**  52129.1105.3-1498.1000123.1
837Y36.4Very low33.9Very low187 Ų187146.7 Ų146.773%0.73375%0.75SS**  176.2115.6110.2-106-84.5000116.6
838T34.5Very low33.9Very low97 Ų97145.4 Ų145.460%0.59576%0.755SS**  trans49.4113148.452.40000124.8
839N32.2Very low33.7Very low150 Ų150145.5 Ų145.580%0.80276%0.756SS**  44.6125.2111.9-58.7-16.7000122.4
840K34.2Very low33.7Very low214 Ų214146.4 Ų146.493%0.9377%0.767SS**  -153.4151.6102.8-115178.5-177.6-176.50112.3
841S30.2Very low33.3Very low110 Ų110143.5 Ų143.577%0.76977%0.768SS**  trans-125.2151.3-17350.10000111.4
842E34.8Very low33.2Very low200 Ų200143.4 Ų143.494%0.93578%0.777SS**  trans-148.9147.2151.2-119.2161.5-132.300108.9
843S29.8Very low32.9Very low93 Ų93146.9 Ų146.965%0.6579%0.786SS**  trans-139.1162.4-168.257.90000109.1
844Y34.3Very low32.6Very low208 Ų208145.9 Ų145.982%0.81679%0.787SS**  trans-165.7139.2136.7-95.6-55.2000114.4
845N33.8Very low32.4Very low141 Ų141147.4 Ų147.475%0.75479%0.789SS**  trans66105.7148.8-58.9-21.6000121.6
846T27.5Very low32.1Very low141 Ų141147.9 Ų147.987%0.86579%0.792SS**  trans-83.8144.3150.734.70000111.8
847I34.8Very low31.9Very low160 Ų160150.5 Ų150.582%0.82181%0.805SS**  trans-138.9142.9162.4-66.7-173.1000107.2
848P32Very low31.8Very low121 Ų121149.1 Ų149.179%0.78681%0.809SS**  trans-96.7-172.2-159.839.2-38.3000116
849E29.6Very low31.8Very low181 Ų181151.4 Ų151.485%0.84681%0.813SS**  trans-54.1142.3-172.2-51.4172.3139.200116.1
850T32.4Very low31.8Very low148 Ų148149.6 Ų149.691%0.90881%0.809SS**  176.3145.511727.60000112.8
851G28.4Very low31.8Very low66 Ų66148 Ų14868%0.6881%0.805SS**  trans97.4136.8148.900000119.7
852S32.8Very low31.9Very low125 Ų125150.9 Ų150.987%0.87480%0.804SS**  trans70.4142.4165.375.20000119.3
853K28.4Very low31.8Very low202 Ų202150 Ų15088%0.87879%0.792SS**  trans-86.6133.9174.1-66.1173.6176.5176.30110
854P32.2Very low31.8Very low114 Ų114151.8 Ų151.874%0.7479%0.793SS**  trans-82.8111.3157.431.1-28.8000109.8L856P854-L856 PolarHBondContact O-N 3.18Å
855E29.2Very low31.5Very low183 Ų183146.6 Ų146.686%0.85578%0.783SS**  trans-7796.7171.9-175.1164-152.400109.4L857E855-L857 PolarHBondContact O-N 2.63Å
856L32.5Very low31.4Very low153 Ų153148.4 Ų148.480%0.80178%0.781SS**  trans-76.394.4-178-88.8167.4000111.3P854 I858P854-L856 PolarHBondContact O-N 3.18Å; L856-I858 PolarHBondContact O-N 2.93Å
857L30.5Very low31.5Very low166 Ų166150.3 Ų150.387%0.86978%0.777SS**  trans-52.1116.2165.2-74.8161.5000110.5E855E855-L857 PolarHBondContact O-N 2.63Å
858I33.9Very low31.4Very low159 Ų159152.6 Ų152.682%0.81578%0.776SS**  trans-88.4110.6171.5-61175.8000107.6L856L856-I858 PolarHBondContact O-N 2.93Å
859E34.2Very low31.2Very low145 Ų145155.2 Ų155.268%0.67878%0.777SS**  trans-59.1127.9168.9-70.3-170.1151.100110.1K862E859-K862 IonicContact OE2-NZ 3.27Å; E859-K862 PolarHBondContact OE2-NZ 3.07Å
860P32.5Very low31.6Very low111 Ų111155.1 Ų155.172%0.72178%0.777SS**  trans-76.6162.1168.133.8-34.8000111.4
861E34.3Very low31.7Very low182 Ų182151.6 Ų151.685%0.8577%0.77SS**  trans59.988.2165.6-57.9-165.4168.900119.1
862K31.8Very low31.8Very low170 Ų170156 Ų15674%0.73978%0.778SS**  trans-118.786.4147-78.5172.1179.9131.30110.1E859 L864E859-K862 IonicContact OE2-NZ 3.27Å; E859-K862 PolarHBondContact OE2-NZ 3.07Å; K862-L864 PolarHBondContact O-N 3.33Å
863R32.7Very low32Very low182 Ų182159.9 Ų159.969%0.68778%0.779SS**  trans-69.191.4-177.8-165.7178.1-168.4-176.64.3110.9V865R863-V865 PolarHBondContact O-N 3.02Å
864L29.3Very low32.1Very low129 Ų129157.2 Ų157.268%0.67578%0.78SS**  trans-69.397.1-179.2-90.9155.7000112.3K862 Y866K862-L864 PolarHBondContact O-N 3.33Å; L864-Y866 HydrophobicContact CB-CE2 4.1Å; L864-Y866 HydrophobicContact CD2-CE2 4.32Å
865V29.8Very low32.2Very low100 Ų100155.2 Ų155.261%0.60678%0.78SS**  trans-90.3111.4171.5-179.30000109.5R863 F867R863-V865 PolarHBondContact O-N 3.02Å; V865-F867 HydrophobicContact CG1-CD2 4.24Å; V865-F867 HydrophobicContact CG1-CE2 3.82Å; V865-F867 HydrophobicContact CG1-CZ 4.34Å
866Y31.3Very low32.2Very low179 Ų179152.3 Ų152.370%0.70278%0.78SS**  trans-93.7115.6174.7-71-80.1000111.1L864L864-Y866 HydrophobicContact CB-CE2 4.1Å; L864-Y866 HydrophobicContact CD2-CE2 4.32Å
867F29.7Very low32.3Very low181 Ų181156.5 Ų156.579%0.79479%0.785SS**  trans-82.1140167.7-73-92.9000110.6V865V865-F867 HydrophobicContact CG1-CD2 4.24Å; V865-F867 HydrophobicContact CG1-CE2 3.82Å; V865-F867 HydrophobicContact CG1-CZ 4.34Å
868W30.9Very low32.5Very low208 Ų208154.2 Ų154.279%0.78878%0.783SS**  trans-99.6104.5171.1-10777.8000109.7
869E29.8Very low32.4Very low175 Ų175154 Ų15482%0.81878%0.781SS**PPolyproline II helixtrans-83.2134.3161.4-69.4-168.7129.800109.6
870Q37.9Very low32.3Very low180 Ų180152.8 Ų152.884%0.84179%0.787SS**PPolyproline II helixtrans-78.1134.4168.2-71.4-170.9-8.500109.6N872Q870-N872 PolarHBondContact O-N 3.45Å
871G33.6Very low32.2Very low73 Ų73158.8 Ų158.875%0.75380%0.795SS**PPolyproline II helixtrans-62127.4-16700000115.1
872N30Very low32Very low158 Ų158157.7 Ų157.785%0.84580%0.795SS**  trans30.892153.7-66.4-7.7000117.7Q870Q870-N872 PolarHBondContact O-N 3.45Å
873K36.6Very low32Very low207 Ų207156.3 Ų156.390%0.980%0.801SS**  trans-105111.9139.2-76.3-172.3177.3-179.70109.2G875K873-G875 PolarHBondContact O-N 2.93Å; K873-G875 VanDerWaalsContact O-N 3.09Å
874T31.5Very low31.9Very low147 Ų147153.5 Ų153.590%0.90280%0.804SS**  trans-70.3100.3172.747.10000109.8
875G33.9Very low32Very low71 Ų71153.1 Ų153.173%0.73281%0.807SS**  trans-172.6108.8176.700000110.3K873 R877K873-G875 PolarHBondContact O-N 2.93Å; K873-G875 VanDerWaalsContact O-N 3.09Å; G875-R877 PolarHBondContact O-N 3.13Å
876S29.2Very low31.9Very low123 Ų123154.4 Ų154.486%0.8681%0.809SS**  trans-81.1115.1-168.740.90000113.3
877R34.3Very low31.9Very low241 Ų241149.6 Ų149.691%0.90980%0.798SS**  trans-157.7152.2148.2-111.2163.8-172.7-170.90.4111.1G875G875-R877 PolarHBondContact O-N 3.13Å
878S34.8Very low31.9Very low118 Ų118146.5 Ų146.583%0.82579%0.794SS**  trans-76.5144.4-165.445.30000114.5
879I31.4Very low32Very low153 Ų153141.5 Ų141.579%0.78578%0.783SS**  trans-104.2128.6177.3-60.4170.9000109.9
880P33.6Very low32.1Very low121 Ų121140.4 Ų140.479%0.78678%0.781SS**  trans-76.6130.2162.4-421.6000110
881R29.6Very low31.9Very low237 Ų237137.9 Ų137.989%0.89478%0.778SS**  trans-74.9131.4175.2-68.7175.1172.9152.1-3.9110.7
882N30.6Very low31.7Very low158 Ų158139.3 Ų139.385%0.84578%0.777SS**  trans-175.2105.7143.9-97.8-16.6000111.4
883T31.5Very low31.8Very low142 Ų142138.6 Ų138.687%0.87177%0.773SS**  trans-146.5115.9160.7-47.40000108
884T30.5Very low31.6Very low122 Ų122135.9 Ų135.975%0.74877%0.774SS**  trans-88.3122.8-171.1-37.30000110.9I886T884-I886 PolarHBondContact O-N 3.39Å
885V30.6Very low31.3Very low122 Ų122134.8 Ų134.874%0.73977%0.767SS**  trans-82.6106.2170.81770000108.6T887V885-T887 PolarHBondContact O-N 3.03Å
886I29.2Very low31.2Very low126 Ų126142.7 Ų142.765%0.64678%0.777SS**  trans-79.2108.1176.2-62.4175.8000108.9T884 T888T884-I886 PolarHBondContact O-N 3.39Å; I886-T888 HydrophobicContact CG2-CG2 3.87Å
887T30.8Very low30.9Very low79 Ų79142 Ų14249%0.48577%0.772SS.*  trans-110.8103.5168.7-22.50000108.9V885 N889V885-T887 PolarHBondContact O-N 3.03Å; T887-N889 PolarHBondContact O-N 2.94Å
888T30.5Very low30.7Very low115 Ų115137.2 Ų137.271%0.70677%0.769SS**  trans-91.385.5179.649.10000111.4I886I886-T888 HydrophobicContact CG2-CG2 3.87Å
889N32.4Very low30.3Very low103 Ų103135.8 Ų135.855%0.55176%0.759SS**  trans-78.3125.6162.8-75.216.3000108.9T887T887-N889 PolarHBondContact O-N 2.94Å
890I31.3Very low30.2Very low152 Ų152136.2 Ų136.278%0.77976%0.761SS**  trans-111.7103.4172-58.7177.8000108.2
891T33.5Very low30Very low128 Ų128136.2 Ų136.279%0.78576%0.759SS**  trans-131.8146.2160.839.90000108
892S30.7Very low29.7Very low102 Ų102130.8 Ų130.871%0.71376%0.756SS**  trans-100.9173.8-158.349.60000114.7
893N31.3Very low29.7Very low144 Ų144129.8 Ų129.877%0.7776%0.756SS**  trans79.696.2166-53.6-15.5000117.8
894T31.6Very low29.6Very low150 Ų150129.3 Ų129.392%0.9275%0.753SS**  -166.6152.3110.115.40000111.9
895T26.2Very low29.8Very low123 Ų123131.3 Ų131.376%0.75576%0.759SS**  trans-98.1139.1-177.5450000112.8
896Y31Very low30Very low238 Ų238130.3 Ų130.393%0.93376%0.755SS**  trans-155.2161.9146.5-98.3-67.3000110.3
897S23.6Very low30.4Very low109 Ų109132.7 Ų132.776%0.76277%0.769SS**  trans-131.1126.6-157.8-52.40000115.1
898T29.6Very low30.6Very low140 Ų140132.1 Ų132.186%0.85978%0.779SS**  trans-163.8167.1161.835.40000109.7
899S26.1Very low30.8Very low87 Ų87134.5 Ų134.561%0.60879%0.785SS**  -177.2136.4-55.350.30000110.6
900I30Very low30.5Very low162 Ų162135.3 Ų135.383%0.83179%0.794SS**  trans68138156.3-65.1164.6000115.8
901V29Very low30.5Very low121 Ų121134.6 Ų134.673%0.73380%0.797SS**  cis-154.3156.3-14.4126.30000107.8
902C24.1Very low30.2Very low123 Ų123134.8 Ų134.883%0.83180%0.798SS**  trans-115.5153.7171.7-62.10000111.9
903T30.2Very low30Very low138 Ų138137.1 Ų137.185%0.84780%0.803SS**  trans-132.5137165.951.40000110.6
904T28.9Very low30Very low131 Ų131137.1 Ų137.180%0.80481%0.808SS**  trans-121.1161.5-172.148.20000111.8
905N34.4Very low30Very low164 Ų164135.7 Ų135.788%0.87780%0.799SS**  trans-158.7129.2148.8-129.7-8.5000111.8
906P35.4Very low30Very low101 Ų101134.4 Ų134.466%0.65680%0.801SS**  trans-107.6158.8179.539.3-33000114.1
907N38.4Very low30Very low176 Ų176129 Ų12994%0.94179%0.793SS**  trans155.7137.4158.3-83.1-26000108
908G34.5Very low30.2Very low67 Ų67131.7 Ų131.769%0.69180%0.799SS**  cis176.7152.6-10.400000111.5
909I34.2Very low30.4Very low165 Ų165132.9 Ų132.985%0.84680%0.798SS**  trans64.794.4163.6-47.1-179.7000119.3
910T27.7Very low30.4Very low120 Ų120133.9 Ų133.974%0.73681%0.805SS**  27.4116.2126.6-37.80000121.9
911T30.4Very low30.6Very low138 Ų138132.1 Ų132.185%0.84780%0.802SS**  -173.9168.4113.922.30000112.4
912T26.6Very low30.7Very low131 Ų131134.3 Ų134.380%0.80481%0.806SS**  trans-79.5127.1-164.650.40000115.6
913N26.3Very low31.1Very low151 Ų151134.5 Ų134.581%0.80780%0.799SS**  trans-164.6140145.6-102.3-43.6000110.3
914T32Very low31.3Very low144 Ų144133.1 Ų133.188%0.88379%0.791SS**  trans-147.774.8168.8-44.90000110.8
915V31.6Very low31.5Very low121 Ų121134.2 Ų134.273%0.73379%0.786SS**  trans-72.2151.1157.7175.30000108.3
916A25.5Very low31.5Very low95 Ų95133 Ų13379%0.78578%0.778SS**  trans-72.1136.1179.700000112.7
917T32.2Very low31.4Very low126 Ų126135.5 Ų135.577%0.77378%0.781SS**  trans-138.6130.6163.740.30000110.6
918N28.1Very low31Very low165 Ų165133.3 Ų133.388%0.88277%0.765SS**  trans-68.7146.8161.9-49.5-59.8000109.1
919I32.2Very low31Very low164 Ų164139.6 Ų139.684%0.84177%0.768SS**  trans-138143.6155.2-95.2156.5000108.2
920S27.2Very low30.9Very low109 Ų109138 Ų13876%0.76276%0.761SS**  trans-129.2132.9-174.156.70000111.4
921T33.3Very low31.2Very low124 Ų124138 Ų13876%0.76176%0.761SS**  trans-149117.6161.435.30000106.6
922M30.7Very low31.3Very low168 Ų168138.2 Ų138.283%0.82876%0.762SS**  63.1124.578.1-70.5-162.7166.800111.6
923N33.6Very low31.4Very low127 Ų127139 Ų13968%0.67976%0.761SS**  cis-158.6156.144-102-36.7000114.9
924T33.4Very low32Very low109 Ų109136.2 Ų136.267%0.66975%0.751SS**  trans60147.8145.755.50000120.9
925H34.8Very low31.9Very low154 Ų154136.9 Ų136.971%0.71375%0.748SS**  cis-162.7152.35.9-120.3-45.8000111.3
926I32.5Very low31.9Very low137 Ų137136.6 Ų136.670%0.70375%0.749SS**  trans68.2137.7150.7-58.7162.7000117.2
927H34.3Very low32.3Very low154 Ų154139.3 Ų139.371%0.71375%0.749SS**  cis-129.7139.4-16.8-98.1-63.1000105.2
928E30.5Very low32.1Very low131 Ų131141 Ų14161%0.61275%0.748SS**  86.2129.760.3-152.6-168.8-103.300114.6
929R34.1Very low32.4Very low198 Ų198140 Ų14075%0.74774%0.741SS**  trans76.4138.9174.5-48.1-170.5-160.5148.713.5117.8
930D32.8Very low32Very low132 Ų132138.7 Ų138.771%0.70673%0.731SS**  cis-159.9152.9-16.9-108.7-32.9000113.2
931V32.7Very low32.2Very low120 Ų120141.2 Ų141.273%0.72773%0.731SS**  trans58.3103.9141.7176.90000121.2
932V32.8Very low32.1Very low143 Ų143144 Ų14487%0.86774%0.735SS**  trans84.6140132.2173.20000121.9
933N29.4Very low31.9Very low146 Ų146144.1 Ų144.178%0.78174%0.736SS**  trans-119176.4-179.5-144.62.7000106.9
934P38.7Very low31.9Very low93 Ų93144.8 Ų144.860%0.60475%0.745SS**  cis-139.9-159.2-8.837-13.7000113.9
935L29.4Very low31.6Very low159 Ų159148.7 Ų148.783%0.83275%0.752SS**  trans83.6153.9155-71.2166.3000119.3
936P32.4Very low31.5Very low114 Ų114149.4 Ų149.474%0.7476%0.759SS**  trans-104165.4-158.640.6-36.2000114.7
937I32.9Very low31.5Very low153 Ų153148.2 Ų148.279%0.78576%0.761SS**  trans-125.2136.4171.6-55-178.7000109.8I939I937-I939 HydrophobicContact CG2-CD1 4.25Å; I937-I939 HydrophobicContact CG2-CG1 3.92Å
938H29Very low31.6Very low162 Ų162147.9 Ų147.975%0.7577%0.769SS**  trans-93.6123.5175-171.1-52.6000108.5
939I33.7Very low31.5Very low143 Ų143148.6 Ų148.673%0.73377%0.772SS**  trans-131.9129.5177.8-63.9-174.6000109.2I937I937-I939 HydrophobicContact CG2-CD1 4.25Å; I937-I939 HydrophobicContact CG2-CG1 3.92Å
940Q24.8Very low31.6Very low136 Ų136149.4 Ų149.464%0.63678%0.781SS**  trans-95.1176.3169.3-69.5168.9-123.200109.6
941E30.2Very low31.5Very low163 Ų163149.6 Ų149.676%0.76278%0.778SS**  trans69.3150.9165.4-68.2144.7-154.100114.5
942E31.2Very low31.5Very low181 Ų181152.2 Ų152.285%0.84679%0.786SS**  cis-149177.63.8-139.8-178169.200112
943M26.6Very low31.3Very low172 Ų172151.9 Ų151.985%0.84778%0.775SS**  trans-92.8120.2179.5-65.717158.300112.3
944T32.8Very low31.5Very low141 Ų141154.2 Ų154.287%0.86578%0.781SS**  trans-128.8138.2160.846.70000112
945K28.3Very low31Very low191 Ų191160 Ų16083%0.8379%0.791SS**  trans-101.4147.2177.8-58.1168.8-177.61700109.2
946I32.5Very low31Very low168 Ų168158.4 Ų158.486%0.86279%0.79SS**  trans-158.7138.4143.3-99.7142.6000108
947P32.4Very low31Very low113 Ų113159.2 Ų159.273%0.73479%0.792SS**  trans-102.1169.4-176.239.8-35.6000113.4
948V35.9Very low31Very low146 Ų146159 Ų15989%0.88579%0.792SS**  trans-169150.1132.6137.60000109.4
949E29.8Very low31.4Very low146 Ų146155.8 Ų155.868%0.68279%0.786SS**  trans-87.8156.5-173-59.2170.187.200114.7
950K34.9Very low31.3Very low215 Ų215160.2 Ų160.294%0.93579%0.794SS**  -158.6147.4118.7-107.5160-173.3175.20111.9
951Q30.5Very low31.6Very low136 Ų136158.7 Ų158.764%0.63680%0.798SS**  trans-103.4144.1-166.6-53.8168.47.600112.2
952I33.6Very low31.5Very low176 Ų176158.1 Ų158.190%0.90380%0.799SS**  trans-140.5142.6134-62.3-169.2000107.4
953H28.8Very low31.5Very low136 Ų136155.5 Ų155.563%0.6380%0.795SS**  trans-85.2150.9-172.4-76.9-55.6000114.8
954H33.8Very low31.8Very low194 Ų194151.7 Ų151.790%0.89879%0.785SS**  -163.3157.3100.5-99.5-74.7000112.1
955R28.6Very low31.7Very low215 Ų215152.2 Ų152.281%0.81178%0.781SS**  trans-95.4144.3-162.4-72.8177.9170.9167.7-4.7115
956P29.3Very low32Very low126 Ų126148 Ų14882%0.81877%0.773SS**  trans-86.4160.4146.336.6-31.8000111.4
957V32.5Very low32Very low131 Ų131145.7 Ų145.779%0.79477%0.767SS**  trans-141.8142.3173.6-179.10000110.6
958N31.1Very low32.2Very low147 Ų147150.5 Ų150.579%0.78678%0.777SS**  trans-143-176.4172.5-146.15.5000108.4
959P39.1Very low31.8Very low96 Ų96149.2 Ų149.262%0.62377%0.769SS**  -125.1179.4-105.542-27.3000116.5
960R30.4Very low31.8Very low236 Ų236154.1 Ų154.189%0.89178%0.781SS**  trans73.1120.3164.7-64179166176-5.4118.7
961S30.5Very low31.5Very low104 Ų104152.2 Ų152.273%0.72778%0.775SS**  149.7150.1103.662.80000116.2
962I29.6Very low31.4Very low150 Ų150152.1 Ų152.177%0.76978%0.784SS**  trans77.1109.3144.5-73.3162.5000121.8
963V30.7Very low31.1Very low126 Ų126152.5 Ų152.576%0.76478%0.782SS**  60.5141.7125.3177.70000121
964S31.9Very low31.2Very low92 Ų92152.2 Ų152.264%0.64379%0.792SS**  cis-175.6-157.9-20.466.60000111.8
965I31.2Very low31.1Very low153 Ų153152.7 Ų152.779%0.78579%0.792SS**  trans72.5160167.94178.2000118.8
966P35.2Very low31.2Very low102 Ų102151.7 Ų151.766%0.66279%0.793SS**  -139.2172.6-92.848.4-33.2000120.1
967T33.1Very low31.3Very low120 Ų120154.9 Ų154.974%0.73680%0.798SS**  trans35.2129.4143.757.20000124
968K34.9Very low31.2Very low214 Ų214154.9 Ų154.993%0.9379%0.791SS**  -152.1159.5115.4-114.8169.2-173.9173.30111.8
969T28.4Very low31.1Very low118 Ų118154.1 Ų154.172%0.72479%0.787SS**  trans-113.2148.7-161.4460000114.6
970R30.8Very low30.9Very low250 Ų250154.5 Ų154.594%0.94379%0.792SS**  trans-155.4147.9142.8-113.7173.2-176.3-178.90.4110.5
971H27.5Very low31Very low174 Ų174146.6 Ų146.681%0.80678%0.778SS**  trans-92.9140.6-171.8-62.9-106.5000112.3
972T27.7Very low31.1Very low135 Ų135144.5 Ų144.583%0.82876%0.763SS**  -169.2140.7118.413.60000112.2
973E28.6Very low31.3Very low183 Ų183142.3 Ų142.386%0.85576%0.757SS**  trans30.1101.3161-56.6-168173.900121.9
974P30.5Very low31.7Very low130 Ų130143.7 Ų143.784%0.84476%0.755SS**PPolyproline II helixtrans-95.2148.6157.935.2-30.3000112.9
975K31.6Very low32Very low205 Ų205146.3 Ų146.389%0.89176%0.759SS**PPolyproline II helixtrans-90.5161.8176.4-72.1169.8-178.9166.70111.9
976K30.8Very low33Very low193 Ų193144.4 Ų144.484%0.83975%0.75SS**PPolyproline II helixtrans-61.6135.2-173.5-59.2172.1-179.6175.90113.7
977E32.1Very low34.2Very low194 Ų194143.6 Ų143.691%0.90775%0.747SS**  trans-116.2152.9150.8-70-163.3133.800109.9
978I30.6Very low36Very low130 Ų130140.2 Ų140.267%0.66773%0.728SS**  trans-149.2143.3-172.1-43.2177.7000110.1
979N29.2Very low38Very low131 Ų131132.6 Ų132.670%0.70170%0.7SS**  trans95.4113.1165.5-52.4-72.7000118
980S32.9Very low40.3Very low104 Ų104129.4 Ų129.473%0.72769%0.685SS**SBendtrans-151.7-51.3152.355.10000110.2S982S980-S982 PolarHBondContact O-N 3.34Å; S980-S982 VanDerWaalsContact O-N 3.1Å
981A32.6Very low42.6Very low71 Ų71121.6 Ų121.659%0.58766%0.659SS**THydrogen-bonded Turntrans-69.4-3.2-175.500000116.7T983A981-T983 VanDerWaalsContact C-N 3.35Å
982S32.8Very low45.4Very low60 Ų60113.5 Ų113.542%0.4262%0.622SS.*THydrogen-bonded Turntrans-81.6-9.8-177.445.60000114.2S980 N986S980-S982 PolarHBondContact O-N 3.34Å; S980-S982 VanDerWaalsContact O-N 3.1Å; S982-N986 PolarHBondContact O-ND2 3.49Å
983T35.4Very low48.2Very low104 Ų104108.7 Ų108.764%0.63860%0.596SS**THydrogen-bonded Turntrans-87-41.9-174.4-39.30000112.5A981 N986A981-T983 VanDerWaalsContact C-N 3.35Å; T983-N986 PolarHBondContact O-N 3.39Å
984E37.6Very low51.1Low155 Ų155105.9 Ų105.972%0.72458%0.581SS**THydrogen-bonded Turntrans-73.1-44.8-168.9-65.4174136.600113N986 S987E984-N986 PolarHBondContact O-N 3.41Å; E984-N986 VanDerWaalsContact O-N 3.09Å; E984-S987 WeakPolarHBondContact O-CB 3.42Å; E984-S987 PolarHBondContact O-N 2.57Å
985M38.5Very low53.8Low146 Ų146102.9 Ų102.972%0.71956%0.556SS**Hα-helixtrans-58.5-25.4177.8-74.3-169.8174.100113.9S987 T989M985-S987 VanDerWaalsContact C-N 3.31Å; M985-T989 VanDerWaalsContact O-CB 3.26Å; M985-T989 WeakPolarHBondContact O-CB 3.3Å; M985-T989 PolarHBondContact O-N 3.44Å; M985-T989 PolarHBondContact O-OG1 3.46Å
986N53.5Low56.6Low114 Ų11493.1 Ų93.161%0.6151%0.513SS*.Hα-helixtrans-74.7-21.4177.2-77.9-60.5000112.7S982 T983 E984 A990S982-N986 PolarHBondContact O-ND2 3.49Å; T983-N986 PolarHBondContact O-N 3.39Å; E984-N986 PolarHBondContact O-N 3.41Å; E984-N986 VanDerWaalsContact O-N 3.09Å; N986-A990 WeakPolarHBondContact O-CB 3.4Å; N986-A990 PolarHBondContact O-N 2.89Å
987S59.7Low59.6Low85 Ų8587 Ų8759%0.59449%0.492SS*.Hα-helixtrans-75.3-58.8178.7-171.70000111.8E984 M985 T989 A990 E991E984-S987 WeakPolarHBondContact O-CB 3.42Å; E984-S987 PolarHBondContact O-N 2.57Å; M985-S987 VanDerWaalsContact C-N 3.31Å; S987-T989 VanDerWaalsContact C-N 3.32Å; S987-T989 PolarHBondContact O-N 2.94Å; S987-A990 WeakPolarHBondContact O-CB 3.5Å; S987-A990 PolarHBondContact O-N 3.3Å; S987-E991 PolarHBondContact O-N 3.45Å; S987-E991 VanDerWaalsContact O-N 3.09Å
988S69.8Low62.3Low48 Ų4880.1 Ų80.134%0.33647%0.468SS..Hα-helixtrans-61.3-39.3-179.5570000112.4A990 E991 L992S988-A990 VanDerWaalsContact C-N 3.28Å; S988-A990 PolarHBondContact O-N 2.99Å; S988-E991 PolarHBondContact O-N 3.13Å; S988-L992 WeakPolarHBondContact O-CB 3.41Å; S988-L992 PolarHBondContact O-N 3.02Å
989T76.8Confident65.1Low55 Ų5574 Ų7434%0.33744%0.437SS..Hα-helixtrans-55.6-40.5172.6-64.60000112.5M985 S987 A993 L1027M985-T989 VanDerWaalsContact O-CB 3.26Å; M985-T989 WeakPolarHBondContact O-CB 3.3Å; M985-T989 PolarHBondContact O-N 3.44Å; M985-T989 PolarHBondContact O-OG1 3.46Å; S987-T989 VanDerWaalsContact C-N 3.32Å; S987-T989 PolarHBondContact O-N 2.94Å; T989-A993 WeakPolarHBondContact O-CB 3.28Å; T989-A993 PolarHBondContact O-N 3.04Å; T989-L1027 HydrophobicContact CG2-CD1 4.08Å
990A77.3Confident68.2Low50 Ų5067.8 Ų67.841%0.41340%0.403SS..Hα-helixtrans-74.3-38.1179.600000112.2N986 S987 S988 A993 K994N986-A990 WeakPolarHBondContact O-CB 3.4Å; N986-A990 PolarHBondContact O-N 2.89Å; S987-A990 WeakPolarHBondContact O-CB 3.5Å; S987-A990 PolarHBondContact O-N 3.3Å; S988-A990 VanDerWaalsContact C-N 3.28Å; S988-A990 PolarHBondContact O-N 2.99Å; A990-A993 PolarHBondContact O-N 3.11Å; A990-K994 WeakPolarHBondContact O-CG 3.21Å; A990-K994 PolarHBondContact O-N 3.27Å
991E80.5Confident71Confident86 Ų8665.5 Ų65.540%0.40239%0.388SS..Hα-helixtrans-70.3-46-179.5-15857.3-135.100112S987 S988 A993 K994 Q995S987-E991 PolarHBondContact O-N 3.45Å; S987-E991 VanDerWaalsContact O-N 3.09Å; S988-E991 PolarHBondContact O-N 3.13Å; E991-A993 PolarHBondContact O-N 3.32Å; E991-K994 WeakPolarHBondContact O-CB 3.48Å; E991-K994 PolarHBondContact O-N 3.11Å; E991-K994 WeakPolarHBondContact OE1-CD 3.25Å; E991-K994 IonicContact OE1-NZ 3.82Å; E991-K994 WeakPolarHBondContact OE2-CE 3.48Å; E991-K994 IonicContact OE2-NZ 2.88Å; E991-K994 PolarHBondContact OE2-NZ 3.2Å; E991-Q995 PolarHBondContact O-N 3.11Å
992L84.8Confident73.7Confident5 Ų566.4 Ų66.43%0.02638%0.376CS..Hα-helixtrans-56.7-40.1173.4-176.971.5000111.7S988 K994 Q995 V996 T1023 L1026 L1027 V1032S988-L992 WeakPolarHBondContact O-CB 3.41Å; S988-L992 PolarHBondContact O-N 3.02Å; L992-K994 VanDerWaalsContact C-N 3.34Å; L992-K994 PolarHBondContact O-N 3.18Å; L992-Q995 PolarHBondContact O-N 3.21Å; L992-V996 HydrophobicContact CG-CG2 4.45Å; L992-V996 WeakPolarHBondContact O-CB 3.29Å; L992-V996 WeakPolarHBondContact O-CG2 3.31Å; L992-V996 PolarHBondContact O-N 3.5Å; L992-T1023 HydrophobicContact CD2-CG2 4.08Å; L992-T1023 HydrophobicContact CG-CG2 4.35Å; L992-L1026 HydrophobicContact CD1-CD1 4.27Å; L992-L1026 HydrophobicContact CD2-CB 3.94Å; L992-L1027 HydrophobicContact CD2-CD2 3.75Å; L992-L1027 HydrophobicContact CD2-CG 3.69Å; L992-V1032 HydrophobicContact CB-CG1 4.46Å; L992-V1032 HydrophobicContact CD1-CG1 4.08Å; L992-V1032 HydrophobicContact CD2-CG1 3.84Å; L992-V1032 HydrophobicContact CG-CG1 4.35Å
993A87.8Confident76.5Confident34 Ų3463.8 Ų63.828%0.28136%0.357SS..Hα-helixtrans-62.7-38.1176.600000112.6T989 A990 E991 V997 T1023T989-A993 WeakPolarHBondContact O-CB 3.28Å; T989-A993 PolarHBondContact O-N 3.04Å; A990-A993 PolarHBondContact O-N 3.11Å; E991-A993 PolarHBondContact O-N 3.32Å; A993-V997 WeakPolarHBondContact O-CB 3.34Å; A993-V997 VanDerWaalsContact O-CG2 3.27Å; A993-V997 WeakPolarHBondContact O-CG2 3.41Å; A993-V997 PolarHBondContact O-N 2.95Å; A993-V997 VanDerWaalsContact O-N 3.13Å; A993-T1023 HydrophobicContact CB-CG2 4.12Å
994K87.7Confident79.2Confident123 Ų12362.9 Ų62.954%0.53534%0.344SS..Hα-helixtrans-63.4-47.4173.2-64168.1-167.1169.80110.9A990 E991 L992 V997 A998A990-K994 WeakPolarHBondContact O-CG 3.21Å; A990-K994 PolarHBondContact O-N 3.27Å; E991-K994 WeakPolarHBondContact O-CB 3.48Å; E991-K994 PolarHBondContact O-N 3.11Å; E991-K994 WeakPolarHBondContact OE1-CD 3.25Å; E991-K994 IonicContact OE1-NZ 3.82Å; E991-K994 WeakPolarHBondContact OE2-CE 3.48Å; E991-K994 IonicContact OE2-NZ 2.88Å; E991-K994 PolarHBondContact OE2-NZ 3.2Å; L992-K994 VanDerWaalsContact C-N 3.34Å; L992-K994 PolarHBondContact O-N 3.18Å; K994-V997 PolarHBondContact O-N 3.02Å; K994-A998 WeakPolarHBondContact O-CB 3.19Å; K994-A998 PolarHBondContact O-N 2.99Å
995Q87.8Confident81.6Confident67 Ų6759.8 Ų59.831%0.31335%0.345SS..Hα-helixtrans-61.8-48.1-178.8-63.6-175.716.200111.8E991 L992 V997 A998 S999 L1040E991-Q995 PolarHBondContact O-N 3.11Å; L992-Q995 PolarHBondContact O-N 3.21Å; Q995-V997 VanDerWaalsContact C-N 3.34Å; Q995-V997 PolarHBondContact O-N 2.96Å; Q995-A998 WeakPolarHBondContact O-CB 3.49Å; Q995-A998 PolarHBondContact O-N 2.85Å; Q995-A998 VanDerWaalsContact O-N 3.13Å; Q995-S999 PolarHBondContact O-N 2.94Å; Q995-S999 PolarHBondContact O-OG 3.07Å; Q995-L1040 HydrophobicContact CB-CD2 3.66Å
996V91.2Very high83.9Confident0 Ų060 Ų600%034%0.342CS..Hα-helixtrans-57.5-44.8176.3166.90000111.7L992 L1000 A1019 L1022 L1026 L1040L992-V996 HydrophobicContact CG-CG2 4.45Å; L992-V996 WeakPolarHBondContact O-CB 3.29Å; L992-V996 WeakPolarHBondContact O-CG2 3.31Å; L992-V996 PolarHBondContact O-N 3.5Å; V996-L1000 HydrophobicContact CG1-CD1 3.73Å; V996-L1000 HydrophobicContact CG1-CG 4.47Å; V996-L1000 WeakPolarHBondContact O-CB 3.34Å; V996-L1000 VanDerWaalsContact O-CG 3.29Å; V996-L1000 WeakPolarHBondContact O-CG 3.49Å; V996-L1000 PolarHBondContact O-N 3.21Å; V996-A1019 HydrophobicContact CG1-CB 4.27Å; V996-L1022 HydrophobicContact CG1-CB 4.27Å; V996-L1022 HydrophobicContact CG1-CD2 4Å; V996-L1022 HydrophobicContact CG1-CG 4.17Å; V996-L1022 HydrophobicContact CG2-CG 4.49Å; V996-L1026 HydrophobicContact CG2-CD1 3.67Å; V996-L1040 HydrophobicContact CG2-CD1 4.42Å; V996-L1040 HydrophobicContact CG2-CD2 4.45Å
997V92.7Very high85.5Confident66 Ų6656.3 Ų56.340%0.433%0.331SS..Hα-helixtrans-64.8-39.6176.7166.60000111.6A993 K994 Q995 S1001 F1015 A1019A993-V997 WeakPolarHBondContact O-CB 3.34Å; A993-V997 VanDerWaalsContact O-CG2 3.27Å; A993-V997 WeakPolarHBondContact O-CG2 3.41Å; A993-V997 PolarHBondContact O-N 2.95Å; A993-V997 VanDerWaalsContact O-N 3.13Å; K994-V997 PolarHBondContact O-N 3.02Å; Q995-V997 VanDerWaalsContact C-N 3.34Å; Q995-V997 PolarHBondContact O-N 2.96Å; V997-S1001 WeakPolarHBondContact O-CB 3.36Å; V997-S1001 PolarHBondContact O-N 3.36Å; V997-S1001 VanDerWaalsContact O-N 3.09Å; V997-F1015 HydrophobicContact CG1-CE1 4.44Å; V997-F1015 HydrophobicContact CG1-CZ 4.18Å; V997-A1019 HydrophobicContact CG2-CB 4.17Å
998A89.9Confident87Confident48 Ų4853.1 Ų53.140%0.39731%0.307SS..Hα-helixtrans-64.8-48177.700000112.1K994 Q995 S1001K994-A998 WeakPolarHBondContact O-CB 3.19Å; K994-A998 PolarHBondContact O-N 2.99Å; Q995-A998 WeakPolarHBondContact O-CB 3.49Å; Q995-A998 PolarHBondContact O-N 2.85Å; Q995-A998 VanDerWaalsContact O-N 3.13Å; A998-S1001 WeakPolarHBondContact O-CB 3.48Å; A998-S1001 PolarHBondContact O-N 3.46Å; A998-S1001 PolarHBondContact O-OG 3.28Å
999S89.8Confident88.1Confident1 Ų151.2 Ų51.21%0.00729%0.293CS..Hα-helixtrans-67.2-41.1179.6-68.70000113Q995 S1001 R1002 D1041 I1044Q995-S999 PolarHBondContact O-N 2.94Å; Q995-S999 PolarHBondContact O-OG 3.07Å; S999-S1001 VanDerWaalsContact C-N 3.29Å; S999-S1001 PolarHBondContact O-N 3.26Å; S999-R1002 WeakPolarHBondContact O-CB 3.27Å; S999-R1002 WeakPolarHBondContact O-CG 3.42Å; S999-R1002 PolarHBondContact O-N 3.31Å; S999-R1002 PolarHBondContact O-NE 3.46Å; S999-D1041 WeakPolarHBondContact CB-OD1 3.4Å; S999-D1041 PolarHBondContact OG-OD1 3.25Å; S999-I1044 VanDerWaalsContact CB-CD1 3.42Å
1000L92.7Very high88.7Confident1 Ų154.1 Ų54.11%0.00530%0.3CS..Hα-helixtrans-67.4-25.9175.3-71.7171.6000113.2V996 R1002 H1003 F1004 F1009 F1015 V1018 A1019 L1022 I1044 L1048V996-L1000 HydrophobicContact CG1-CD1 3.73Å; V996-L1000 HydrophobicContact CG1-CG 4.47Å; V996-L1000 WeakPolarHBondContact O-CB 3.34Å; V996-L1000 VanDerWaalsContact O-CG 3.29Å; V996-L1000 WeakPolarHBondContact O-CG 3.49Å; V996-L1000 PolarHBondContact O-N 3.21Å; L1000-R1002 PolarHBondContact O-N 3Å; L1000-R1002 VanDerWaalsContact O-N 3.16Å; L1000-H1003 PolarHBondContact O-N 3.07Å; L1000-F1004 PolarHBondContact O-N 3.4Å; L1000-F1009 HydrophobicContact CD2-CZ 4.3Å; L1000-F1015 HydrophobicContact CB-CD2 4.43Å; L1000-F1015 HydrophobicContact CB-CE2 3.69Å; L1000-F1015 HydrophobicContact CB-CZ 4.4Å; L1000-V1018 HydrophobicContact CD1-CG1 4.26Å; L1000-V1018 HydrophobicContact CD2-CG1 4.35Å; L1000-A1019 HydrophobicContact CD1-CB 3.73Å; L1000-L1022 HydrophobicContact CD1-CD2 4.31Å; L1000-L1022 HydrophobicContact CD2-CD2 4.49Å; L1000-I1044 HydrophobicContact CD2-CD1 4.34Å; L1000-I1044 HydrophobicContact CD2-CG1 4.46Å; L1000-I1044 HydrophobicContact CD2-CG2 3.82Å; L1000-I1044 HydrophobicContact CG-CD1 4.21Å; L1000-L1048 HydrophobicContact CD2-CD1 4.1Å
1001S91.6Very high89.3Confident57 Ų5755.1 Ų55.140%0.39930%0.299SS..Hα-helixtrans-57.9-30.4179.377.30000112.8V997 A998 S999 H1003 F1004 A1005V997-S1001 WeakPolarHBondContact O-CB 3.36Å; V997-S1001 PolarHBondContact O-N 3.36Å; V997-S1001 VanDerWaalsContact O-N 3.09Å; A998-S1001 WeakPolarHBondContact O-CB 3.48Å; A998-S1001 PolarHBondContact O-N 3.46Å; A998-S1001 PolarHBondContact O-OG 3.28Å; S999-S1001 VanDerWaalsContact C-N 3.29Å; S999-S1001 PolarHBondContact O-N 3.26Å; S1001-H1003 PolarHBondContact O-N 3.09Å; S1001-F1004 PolarHBondContact O-N 2.87Å; S1001-A1005 WeakPolarHBondContact O-CB 3.49Å; S1001-A1005 PolarHBondContact O-N 3.42Å
1002R90.5Very high89.8Confident89 Ų8957.8 Ų57.834%0.33631%0.309SS..Hα-helixtrans-61.4-30.2176.3-51.3-176.7-51.3154.620.5112.7S999 L1000 K1006 D1041 D1045S999-R1002 WeakPolarHBondContact O-CB 3.27Å; S999-R1002 WeakPolarHBondContact O-CG 3.42Å; S999-R1002 PolarHBondContact O-N 3.31Å; S999-R1002 PolarHBondContact O-NE 3.46Å; L1000-R1002 PolarHBondContact O-N 3Å; L1000-R1002 VanDerWaalsContact O-N 3.16Å; R1002-K1006 WeakPolarHBondContact O-CD 3.46Å; R1002-K1006 WeakPolarHBondContact O-CG 3.33Å; R1002-D1041 IonicContact CZ-OD1 3.81Å; R1002-D1041 IonicContact CZ-OD2 3.81Å; R1002-D1041 IonicContact NE-OD1 3.4Å; R1002-D1041 PolarHBondContact NE-OD1 3.16Å; R1002-D1041 IonicContact NE-OD2 3.87Å; R1002-D1041 IonicContact NH1-OD1 2.57Å; R1002-D1041 IonicContact NH1-OD2 3.64Å; R1002-D1041 PolarHBondContact NH1-OD2 3.49Å; R1002-D1041 IonicContact NH2-OD1 2.75Å; R1002-D1045 IonicContact CZ-OD2 2.74Å; R1002-D1045 IonicContact NH2-OD1 2.83Å; R1002-D1045 PolarHBondContact NH2-OD1 3.02Å; R1002-D1045 IonicContact NH2-OD2 2.93Å; R1002-D1045 PolarHBondContact NH2-OD2 3.3Å
1003H90.8Very high90Very high5 Ų561.9 Ų61.92%0.02333%0.331CS..Hα-helixtrans-93.9-30.3177.4-70.4-65.6000112.7L1000 S1001 A1005 K1006 G1007 L1008 F1009 D1045 L1048L1000-H1003 PolarHBondContact O-N 3.07Å; S1001-H1003 PolarHBondContact O-N 3.09Å; H1003-A1005 VanDerWaalsContact C-N 3.35Å; H1003-K1006 PolarHBondContact O-N 3.38Å; H1003-G1007 PolarHBondContact O-N 2.98Å; H1003-L1008 HydrophobicContact CB-CB 4.31Å; H1003-L1008 HydrophobicContact CB-CD2 4.07Å; H1003-L1008 WeakPolarHBondContact O-CB 3.38Å; H1003-L1008 PolarHBondContact O-N 3.22Å; H1003-F1009 HydrophobicContact CB-CE2 3.91Å; H1003-D1045 IonicContact CD2-OD1 3.81Å; H1003-D1045 IonicContact CE1-OD1 3.39Å; H1003-D1045 PolarHBondContact CE1-OD1 3.36Å; H1003-D1045 IonicContact NE2-OD1 2.68Å; H1003-D1045 PolarHBondContact NE2-OD1 2.85Å; H1003-L1048 HydrophobicContact CB-CD1 4.29Å
1004F91.6Very high90.1Very high86 Ų8660.4 Ų60.438%0.37732%0.319SS..Hα-helixtrans-59.8-45168.8-171.4-102.5000111.5L1000 S1001 K1006 G1007 F1009 F1015L1000-F1004 PolarHBondContact O-N 3.4Å; S1001-F1004 PolarHBondContact O-N 2.87Å; F1004-K1006 PolarHBondContact O-N 3.32Å; F1004-G1007 PolarHBondContact O-N 2.94Å; F1004-F1009 HydrophobicContact CB-CD2 4.28Å; F1004-F1009 HydrophobicContact CD2-CB 4.04Å; F1004-F1009 HydrophobicContact CD2-CD2 4.23Å; F1004-F1009 HydrophobicContact CD2-CG 4.32Å; F1004-F1009 HydrophobicContact CE2-CB 4.45Å; F1004-F1015 HydrophobicContact CB-CD2 3.78Å; F1004-F1015 HydrophobicContact CB-CE2 3.93Å; F1004-F1015 HydrophobicContact CD2-CB 3.74Å; F1004-F1015 AromaticContact CD2-CD2 3.76Å; F1004-F1015 HydrophobicContact CD2-CD2 3.76Å; F1004-F1015 AromaticContact CD2-CG 3.85Å; F1004-F1015 HydrophobicContact CD2-CG 3.85Å; F1004-F1015 HydrophobicContact CE2-CB 3.97Å; F1004-F1015 HydrophobicContact CE2-CG 4.35Å; F1004-F1015 AromaticContact CG-CD2 3.96Å; F1004-F1015 HydrophobicContact CG-CD2 3.96Å; F1004-F1015 HydrophobicContact CG-CE2 4.37Å; F1004-F1015 HydrophobicContact CG-CG 4.35Å
1005A88Confident90.4Very high89 Ų8955.9 Ų55.974%0.73630%0.299SS*.THydrogen-bonded Turntrans-63.9-21.8175.300000114.1S1001 H1003 G1007S1001-A1005 WeakPolarHBondContact O-CB 3.49Å; S1001-A1005 PolarHBondContact O-N 3.42Å; H1003-A1005 VanDerWaalsContact C-N 3.35Å; A1005-G1007 VanDerWaalsContact C-N 3.35Å
1006K87.1Confident90.6Very high152 Ų15258 Ų5866%0.66131%0.308SS*.THydrogen-bonded Turntrans-86.71174.7-69.4172.4-176177.20113.7R1002 H1003 F1004 L1008R1002-K1006 WeakPolarHBondContact O-CD 3.46Å; R1002-K1006 WeakPolarHBondContact O-CG 3.33Å; H1003-K1006 PolarHBondContact O-N 3.38Å; F1004-K1006 PolarHBondContact O-N 3.32Å; K1006-L1008 VanDerWaalsContact C-N 3.35Å
1007G88.1Confident90.6Very high36 Ų3660.3 Ų60.337%0.37132%0.324SS..THydrogen-bonded Turntrans76.116.5179.900000115.2H1003 F1004 A1005 F1009 Q1057H1003-G1007 PolarHBondContact O-N 2.98Å; F1004-G1007 PolarHBondContact O-N 2.94Å; A1005-G1007 VanDerWaalsContact C-N 3.35Å; G1007-F1009 PolarHBondContact O-N 2.89Å; G1007-Q1057 PolarHBondContact O-NE2 3.01Å
1008L89.9Confident90.6Very high17 Ų1757.2 Ų57.29%0.08931%0.305CS..  trans-71.3-10.5-177.2-150.375.4000113.8H1003 K1006 L1048 F1051 V1052 I1058H1003-L1008 HydrophobicContact CB-CB 4.31Å; H1003-L1008 HydrophobicContact CB-CD2 4.07Å; H1003-L1008 WeakPolarHBondContact O-CB 3.38Å; H1003-L1008 PolarHBondContact O-N 3.22Å; K1006-L1008 VanDerWaalsContact C-N 3.35Å; L1008-L1048 HydrophobicContact CD2-CB 4.23Å; L1008-L1048 HydrophobicContact CD2-CD1 4.2Å; L1008-F1051 HydrophobicContact CD1-CB 4.15Å; L1008-F1051 HydrophobicContact CD2-CB 4.1Å; L1008-F1051 HydrophobicContact CG-CB 4.11Å; L1008-V1052 HydrophobicContact CD1-CG2 4.15Å; L1008-V1052 HydrophobicContact CD2-CG2 4.03Å; L1008-I1058 HydrophobicContact CD2-CD1 4.24Å; L1008-I1058 HydrophobicContact CG-CD1 4.41Å; L1008-I1058 PolarHBondContact O-N 2.79Å
1009F93.4Very high90.8Very high9 Ų955.2 Ų55.24%0.03929%0.289CS..BIsolated β-bridgetrans-117.8135.1-179.2-64.5-96.2000110.3L1000 H1003 F1004 G1007 N1011 A1014 F1015 V1018 I1058L1000-F1009 HydrophobicContact CD2-CZ 4.3Å; H1003-F1009 HydrophobicContact CB-CE2 3.91Å; F1004-F1009 HydrophobicContact CB-CD2 4.28Å; F1004-F1009 HydrophobicContact CD2-CB 4.04Å; F1004-F1009 HydrophobicContact CD2-CD2 4.23Å; F1004-F1009 HydrophobicContact CD2-CG 4.32Å; F1004-F1009 HydrophobicContact CE2-CB 4.45Å; G1007-F1009 PolarHBondContact O-N 2.89Å; F1009-N1011 VanDerWaalsContact C-N 3.32Å; F1009-N1011 PolarHBondContact O-N 3.41Å; F1009-A1014 HydrophobicContact CD1-CB 4.4Å; F1009-F1015 HydrophobicContact CD1-CB 4.19Å; F1009-F1015 HydrophobicContact CE2-CD2 4.41Å; F1009-F1015 HydrophobicContact CG-CB 4.34Å; F1009-F1015 HydrophobicContact CZ-CD2 4.47Å; F1009-V1018 HydrophobicContact CE1-CB 3.89Å; F1009-V1018 HydrophobicContact CE1-CG1 4.08Å; F1009-V1018 HydrophobicContact CE1-CG2 3.92Å; F1009-V1018 HydrophobicContact CZ-CG1 4.38Å; F1009-I1058 HydrophobicContact CD1-CB 4.07Å; F1009-I1058 HydrophobicContact CD1-CD1 4.16Å; F1009-I1058 HydrophobicContact CD1-CG2 4.26Å; F1009-I1058 HydrophobicContact CE1-CB 4.4Å; F1009-I1058 HydrophobicContact CE1-CD1 3.79Å; F1009-I1058 HydrophobicContact CE1-CG2 4.37Å; F1009-I1058 HydrophobicContact CE2-CD1 4.42Å; F1009-I1058 HydrophobicContact CZ-CD1 3.93Å
1010K89.4Confident90.9Very high115 Ų11561.6 Ų61.650%0.532%0.316SS..SBendtrans-58.5-39.8179.1179175.2-178.5-178.60113.4I1058 Q1059K1010-I1058 PolarHBondContact N-O 3.09Å; K1010-Q1059 HydrophobicContact CB-CG 4.35Å; K1010-Q1059 HydrophobicContact CD-CB 4.03Å; K1010-Q1059 HydrophobicContact CD-CG 3.78Å; K1010-Q1059 VanDerWaalsContact CD-OE1 3.25Å
1011N90.2Very high90.9Very high72 Ų7264.3 Ų64.339%0.38533%0.328SS..SBendtrans-158179.1-179.767.624.7000112.5F1009 D1013 A1014 F1015F1009-N1011 VanDerWaalsContact C-N 3.32Å; F1009-N1011 PolarHBondContact O-N 3.41Å; N1011-D1013 PolarHBondContact O-N 3.26Å; N1011-D1013 WeakPolarHBondContact OD1-CA 3.46Å; N1011-D1013 PolarHBondContact OD1-N 3.32Å; N1011-A1014 PolarHBondContact OD1-N 3.47Å; N1011-F1015 PolarHBondContact O-N 3.45Å
1012K90Very high90.9Very high142 Ų14261.6 Ų61.662%0.61731%0.309SS*.Hα-helixtrans-64-21.7179.7-167.1174.1-177173.70113.6K1016K1012-K1016 VanDerWaalsContact O-CG 3.3Å; K1012-K1016 WeakPolarHBondContact O-CG 3.44Å; K1012-K1016 PolarHBondContact O-N 2.83Å; K1012-K1016 VanDerWaalsContact O-N 3.17Å
1013D89Confident90.8Very high91 Ų9158 Ų5849%0.48730%0.297SS..Hα-helixtrans-90.7-34.3-176.2-61-60.4000112.3N1011 F1015 K1016 S1017N1011-D1013 PolarHBondContact O-N 3.26Å; N1011-D1013 WeakPolarHBondContact OD1-CA 3.46Å; N1011-D1013 PolarHBondContact OD1-N 3.32Å; D1013-F1015 VanDerWaalsContact C-N 3.3Å; D1013-F1015 PolarHBondContact O-N 2.88Å; D1013-K1016 PolarHBondContact O-N 2.74Å; D1013-K1016 WeakPolarHBondContact OD1-CD 3.33Å; D1013-K1016 WeakPolarHBondContact OD1-CE 3.37Å; D1013-K1016 IonicContact OD1-NZ 3.39Å; D1013-K1016 PolarHBondContact OD1-NZ 3.35Å; D1013-S1017 WeakPolarHBondContact O-CB 3.43Å; D1013-S1017 PolarHBondContact O-N 2.75Å
1014A90.1Very high90.7Very high3 Ų365.7 Ų65.73%0.02533%0.326CS..Hα-helixtrans-54.7-48.216400000110.7F1009 N1011 S1017 V1018 Q1059F1009-A1014 HydrophobicContact CD1-CB 4.4Å; N1011-A1014 PolarHBondContact OD1-N 3.47Å; A1014-S1017 PolarHBondContact O-N 2.96Å; A1014-V1018 WeakPolarHBondContact O-CG2 3.43Å; A1014-V1018 PolarHBondContact O-N 3.09Å; A1014-Q1059 VanDerWaalsContact CB-O 3.28Å; A1014-Q1059 WeakPolarHBondContact CB-O 3.5Å
1015F94.8Very high90.4Very high27 Ų2765 Ų6512%0.11832%0.322CS..Hα-helixtrans-56.7-50.6174.2173.1-95.2000112.7V997 L1000 F1004 F1009 N1011 D1013 S1017 V1018 A1019V997-F1015 HydrophobicContact CG1-CE1 4.44Å; V997-F1015 HydrophobicContact CG1-CZ 4.18Å; L1000-F1015 HydrophobicContact CB-CD2 4.43Å; L1000-F1015 HydrophobicContact CB-CE2 3.69Å; L1000-F1015 HydrophobicContact CB-CZ 4.4Å; F1004-F1015 HydrophobicContact CB-CD2 3.78Å; F1004-F1015 HydrophobicContact CB-CE2 3.93Å; F1004-F1015 HydrophobicContact CD2-CB 3.74Å; F1004-F1015 AromaticContact CD2-CD2 3.76Å; F1004-F1015 HydrophobicContact CD2-CD2 3.76Å; F1004-F1015 AromaticContact CD2-CG 3.85Å; F1004-F1015 HydrophobicContact CD2-CG 3.85Å; F1004-F1015 HydrophobicContact CE2-CB 3.97Å; F1004-F1015 HydrophobicContact CE2-CG 4.35Å; F1004-F1015 AromaticContact CG-CD2 3.96Å; F1004-F1015 HydrophobicContact CG-CD2 3.96Å; F1004-F1015 HydrophobicContact CG-CE2 4.37Å; F1004-F1015 HydrophobicContact CG-CG 4.35Å; F1009-F1015 HydrophobicContact CD1-CB 4.19Å; F1009-F1015 HydrophobicContact CE2-CD2 4.41Å; F1009-F1015 HydrophobicContact CG-CB 4.34Å; F1009-F1015 HydrophobicContact CZ-CD2 4.47Å; N1011-F1015 PolarHBondContact O-N 3.45Å; D1013-F1015 VanDerWaalsContact C-N 3.3Å; D1013-F1015 PolarHBondContact O-N 2.88Å; F1015-S1017 VanDerWaalsContact C-N 3.31Å; F1015-S1017 PolarHBondContact O-N 3.1Å; F1015-V1018 PolarHBondContact O-N 2.96Å; F1015-A1019 WeakPolarHBondContact O-CB 3.32Å; F1015-A1019 PolarHBondContact O-N 2.96Å
1016K91.5Very high90.3Very high112 Ų11260.8 Ų60.849%0.48729%0.288SS..Hα-helixtrans-58.1-41.8175.7-72.8169.2-164.2164.40112K1012 D1013 K1020K1012-K1016 VanDerWaalsContact O-CG 3.3Å; K1012-K1016 WeakPolarHBondContact O-CG 3.44Å; K1012-K1016 PolarHBondContact O-N 2.83Å; K1012-K1016 VanDerWaalsContact O-N 3.17Å; D1013-K1016 PolarHBondContact O-N 2.74Å; D1013-K1016 WeakPolarHBondContact OD1-CD 3.33Å; D1013-K1016 WeakPolarHBondContact OD1-CE 3.37Å; D1013-K1016 IonicContact OD1-NZ 3.39Å; D1013-K1016 PolarHBondContact OD1-NZ 3.35Å; K1016-K1020 WeakPolarHBondContact O-CB 3.07Å; K1016-K1020 PolarHBondContact O-N 3.29Å
1017S91.7Very high90Very high49 Ų4956.6 Ų56.634%0.34327%0.272SS..Hα-helixtrans-66.8-45.6-177.4-1540000111.1D1013 A1014 F1015 K1020 K1021 S1061D1013-S1017 WeakPolarHBondContact O-CB 3.43Å; D1013-S1017 PolarHBondContact O-N 2.75Å; A1014-S1017 PolarHBondContact O-N 2.96Å; F1015-S1017 VanDerWaalsContact C-N 3.31Å; F1015-S1017 PolarHBondContact O-N 3.1Å; S1017-K1020 PolarHBondContact O-N 3.22Å; S1017-K1021 WeakPolarHBondContact O-CB 3.4Å; S1017-K1021 PolarHBondContact O-N 3.39Å; S1017-S1061 WeakPolarHBondContact OG-CB 3.5Å; S1017-S1061 PolarHBondContact OG-OG 3.38Å
1018V93.4Very high89.6Confident1 Ų159.7 Ų59.71%0.00628%0.284CS..Hα-helixtrans-63.6-47.6176.1171.10000111.2L1000 F1009 A1014 F1015 K1020 K1021 L1022 I1058 I1064L1000-V1018 HydrophobicContact CD1-CG1 4.26Å; L1000-V1018 HydrophobicContact CD2-CG1 4.35Å; F1009-V1018 HydrophobicContact CE1-CB 3.89Å; F1009-V1018 HydrophobicContact CE1-CG1 4.08Å; F1009-V1018 HydrophobicContact CE1-CG2 3.92Å; F1009-V1018 HydrophobicContact CZ-CG1 4.38Å; A1014-V1018 WeakPolarHBondContact O-CG2 3.43Å; A1014-V1018 PolarHBondContact O-N 3.09Å; F1015-V1018 PolarHBondContact O-N 2.96Å; V1018-K1020 VanDerWaalsContact C-N 3.34Å; V1018-K1020 PolarHBondContact O-N 3.46Å; V1018-K1021 PolarHBondContact O-N 3.13Å; V1018-L1022 VanDerWaalsContact O-CB 3.29Å; V1018-L1022 WeakPolarHBondContact O-CB 3.42Å; V1018-L1022 PolarHBondContact O-N 2.76Å; V1018-I1058 HydrophobicContact CG2-CG2 3.96Å; V1018-I1064 HydrophobicContact CB-CD1 4.32Å; V1018-I1064 HydrophobicContact CG1-CD1 3.64Å; V1018-I1064 HydrophobicContact CG2-CD1 3.65Å
1019A93.6Very high88.6Confident6 Ų661.5 Ų61.55%0.0529%0.292CS..Hα-helixtrans-56.6-47.9176.100000111.5V996 V997 L1000 F1015 K1021 L1022 T1023V996-A1019 HydrophobicContact CG1-CB 4.27Å; V997-A1019 HydrophobicContact CG2-CB 4.17Å; L1000-A1019 HydrophobicContact CD1-CB 3.73Å; F1015-A1019 WeakPolarHBondContact O-CB 3.32Å; F1015-A1019 PolarHBondContact O-N 2.96Å; A1019-K1021 PolarHBondContact O-N 3.44Å; A1019-L1022 PolarHBondContact O-N 2.93Å; A1019-T1023 WeakPolarHBondContact O-CB 3.29Å; A1019-T1023 PolarHBondContact O-N 3.43Å; A1019-T1023 PolarHBondContact O-OG1 2.8Å
1020K92.1Very high86.8Confident134 Ų13470.5 Ų70.558%0.58333%0.334SS*.Hα-helixtrans-67-33.5-179.8-169172.9-175175.60113.4K1016 S1017 V1018 R1024K1016-K1020 WeakPolarHBondContact O-CB 3.07Å; K1016-K1020 PolarHBondContact O-N 3.29Å; S1017-K1020 PolarHBondContact O-N 3.22Å; V1018-K1020 VanDerWaalsContact C-N 3.34Å; V1018-K1020 PolarHBondContact O-N 3.46Å; K1020-R1024 WeakPolarHBondContact O-CD 3.42Å; K1020-R1024 VanDerWaalsContact O-CG 3.31Å; K1020-R1024 WeakPolarHBondContact O-CG 3.38Å; K1020-R1024 PolarHBondContact O-N 2.99Å
1021K91.4Very high85.3Confident58 Ų5869.1 Ų69.125%0.25233%0.329SS..Hα-helixtrans-76.9-38.7176.6-164.5172.8177.5-171.50111.6S1017 V1018 A1019 R1024 K1025 S1061 D1062 W1066S1017-K1021 WeakPolarHBondContact O-CB 3.4Å; S1017-K1021 PolarHBondContact O-N 3.39Å; V1018-K1021 PolarHBondContact O-N 3.13Å; A1019-K1021 PolarHBondContact O-N 3.44Å; K1021-R1024 PolarHBondContact O-N 3.47Å; K1021-K1025 WeakPolarHBondContact O-CB 3.5Å; K1021-K1025 PolarHBondContact O-N 3.33Å; K1021-S1061 WeakPolarHBondContact CD-O 3.5Å; K1021-S1061 PolarHBondContact NZ-O 3.04Å; K1021-D1062 IonicContact NZ-OD1 2.61Å; K1021-D1062 PolarHBondContact NZ-OD1 3.28Å; K1021-W1066 HydrophobicContact CB-CH2 4.11Å; K1021-W1066 HydrophobicContact CB-CZ2 4.02Å; K1021-W1066 HydrophobicContact CD-CD2 4.34Å; K1021-W1066 HydrophobicContact CD-CZ2 3.71Å; K1021-W1066 HydrophobicContact CG-CD2 4.5Å; K1021-W1066 HydrophobicContact CG-CH2 4.21Å; K1021-W1066 HydrophobicContact CG-CZ2 3.9Å; K1021-W1066 VanDerWaalsContact NZ-CD1 3.25Å
1022L91.3Very high83.7Confident1 Ų167 Ų671%0.00532%0.319CS..Hα-helixtrans-65.8-48.1174.1-179.756.3000111.9V996 L1000 V1018 A1019 R1024 K1025 L1026 L1043 I1044 L1047 W1066 L1069V996-L1022 HydrophobicContact CG1-CB 4.27Å; V996-L1022 HydrophobicContact CG1-CD2 4Å; V996-L1022 HydrophobicContact CG1-CG 4.17Å; V996-L1022 HydrophobicContact CG2-CG 4.49Å; L1000-L1022 HydrophobicContact CD1-CD2 4.31Å; L1000-L1022 HydrophobicContact CD2-CD2 4.49Å; V1018-L1022 VanDerWaalsContact O-CB 3.29Å; V1018-L1022 WeakPolarHBondContact O-CB 3.42Å; V1018-L1022 PolarHBondContact O-N 2.76Å; A1019-L1022 PolarHBondContact O-N 2.93Å; L1022-R1024 VanDerWaalsContact C-N 3.27Å; L1022-R1024 PolarHBondContact O-N 3.25Å; L1022-K1025 PolarHBondContact O-N 2.79Å; L1022-K1025 VanDerWaalsContact O-N 3.1Å; L1022-L1026 HydrophobicContact CD1-CD1 4Å; L1022-L1026 HydrophobicContact CD1-CG 4.01Å; L1022-L1026 HydrophobicContact CG-CD1 3.99Å; L1022-L1026 HydrophobicContact CG-CG 4.44Å; L1022-L1026 WeakPolarHBondContact O-CG 3.36Å; L1022-L1026 PolarHBondContact O-N 2.95Å; L1022-L1043 HydrophobicContact CD1-CD2 4.39Å; L1022-I1044 HydrophobicContact CD2-CD1 3.95Å; L1022-I1044 HydrophobicContact CD2-CG1 3.75Å; L1022-L1047 HydrophobicContact CD1-CD2 4.3Å; L1022-W1066 HydrophobicContact CB-CH2 4.04Å; L1022-W1066 HydrophobicContact CB-CZ3 4.09Å; L1022-W1066 HydrophobicContact CD1-CZ3 4.14Å; L1022-L1069 HydrophobicContact CD1-CD1 3.84Å
1023T89.9Confident82Confident14 Ų1467.4 Ų67.49%0.08633%0.328CS..Hα-helixtrans-56.4-42.1175.4-550000111.3L992 A993 A1019 L1026 L1027L992-T1023 HydrophobicContact CD2-CG2 4.08Å; L992-T1023 HydrophobicContact CG-CG2 4.35Å; A993-T1023 HydrophobicContact CB-CG2 4.12Å; A1019-T1023 WeakPolarHBondContact O-CB 3.29Å; A1019-T1023 PolarHBondContact O-N 3.43Å; A1019-T1023 PolarHBondContact O-OG1 2.8Å; T1023-L1026 PolarHBondContact O-N 3.34Å; T1023-L1027 HydrophobicContact CG2-CD1 4.04Å; T1023-L1027 VanDerWaalsContact O-CG 3.27Å; T1023-L1027 WeakPolarHBondContact O-CG 3.37Å; T1023-L1027 PolarHBondContact O-N 3.44Å
1024R87.4Confident80.4Confident166 Ų16667.8 Ų67.863%0.62633%0.329SS*.Hα-helixtrans-63.9-43.7174.6-77.4172.1169-175.9-7.4113.2K1020 K1021 L1022 L1026 L1027 T1028K1020-R1024 WeakPolarHBondContact O-CD 3.42Å; K1020-R1024 VanDerWaalsContact O-CG 3.31Å; K1020-R1024 WeakPolarHBondContact O-CG 3.38Å; K1020-R1024 PolarHBondContact O-N 2.99Å; K1021-R1024 PolarHBondContact O-N 3.47Å; L1022-R1024 VanDerWaalsContact C-N 3.27Å; L1022-R1024 PolarHBondContact O-N 3.25Å; R1024-L1026 VanDerWaalsContact C-N 3.34Å; R1024-L1027 PolarHBondContact O-N 3.14Å; R1024-T1028 PolarHBondContact O-N 3.35Å; R1024-T1028 PolarHBondContact O-OG1 3.17Å
1025K86.2Confident79.1Confident70 Ų7068.7 Ų68.730%0.30433%0.332SS..Hα-helixtrans-61.7-41176.8-90.8-90.5179.81650111.8K1021 L1022 T1028 H1029 W1066 L1069K1021-K1025 WeakPolarHBondContact O-CB 3.5Å; K1021-K1025 PolarHBondContact O-N 3.33Å; L1022-K1025 PolarHBondContact O-N 2.79Å; L1022-K1025 VanDerWaalsContact O-N 3.1Å; K1025-T1028 WeakPolarHBondContact CA-OG1 3.48Å; K1025-T1028 PolarHBondContact O-N 2.57Å; K1025-T1028 PolarHBondContact O-OG1 3.41Å; K1025-H1029 PolarHBondContact O-CD2 3.17Å; K1025-W1066 HydrophobicContact CD-CE3 4.38Å; K1025-W1066 HydrophobicContact CG-CE3 3.89Å; K1025-W1066 HydrophobicContact CG-CZ3 4.31Å; K1025-W1066 PolarHBondContact NZ-O 3.21Å; K1025-L1069 HydrophobicContact CB-CD1 4.15Å; K1025-L1069 HydrophobicContact CD-CD1 4.43Å; K1025-L1069 HydrophobicContact CG-CD1 4.49Å
1026L85.7Confident77.9Confident2 Ų271.3 Ų71.31%0.0135%0.35CS..Hα-helixtrans-67.7-43.3176.3-68.6170.2000111.6L992 V996 L1022 T1023 R1024 T1028 H1029 F1035 L1040 L1043 F1073L992-L1026 HydrophobicContact CD1-CD1 4.27Å; L992-L1026 HydrophobicContact CD2-CB 3.94Å; V996-L1026 HydrophobicContact CG2-CD1 3.67Å; L1022-L1026 HydrophobicContact CD1-CD1 4Å; L1022-L1026 HydrophobicContact CD1-CG 4.01Å; L1022-L1026 HydrophobicContact CG-CD1 3.99Å; L1022-L1026 HydrophobicContact CG-CG 4.44Å; L1022-L1026 WeakPolarHBondContact O-CG 3.36Å; L1022-L1026 PolarHBondContact O-N 2.95Å; T1023-L1026 PolarHBondContact O-N 3.34Å; R1024-L1026 VanDerWaalsContact C-N 3.34Å; L1026-T1028 PolarHBondContact O-N 3.35Å; L1026-T1028 VanDerWaalsContact O-N 3.13Å; L1026-H1029 PolarHBondContact O-N 3.45Å; L1026-H1029 VanDerWaalsContact O-O 3.05Å; L1026-F1035 HydrophobicContact CD2-CE2 3.98Å; L1026-F1035 HydrophobicContact CD2-CZ 3.94Å; L1026-L1040 HydrophobicContact CD1-CD1 3.86Å; L1026-L1043 HydrophobicContact CD2-CD1 4.26Å; L1026-F1073 HydrophobicContact CD2-CE2 4.26Å
1027L81.9Confident77.3Confident63 Ų6372.6 Ų72.633%0.3336%0.356SS..Hα-helixtrans-63.3-15174.6-70.1166.1000114.5T989 L992 T1023 R1024 V1032T989-L1027 HydrophobicContact CG2-CD1 4.08Å; L992-L1027 HydrophobicContact CD2-CD2 3.75Å; L992-L1027 HydrophobicContact CD2-CG 3.69Å; T1023-L1027 HydrophobicContact CG2-CD1 4.04Å; T1023-L1027 VanDerWaalsContact O-CG 3.27Å; T1023-L1027 WeakPolarHBondContact O-CG 3.37Å; T1023-L1027 PolarHBondContact O-N 3.44Å; R1024-L1027 PolarHBondContact O-N 3.14Å; L1027-V1032 HydrophobicContact CD2-CG2 4.46Å
1028T78.1Confident76.7Confident102 Ų10273.8 Ų73.863%0.62636%0.364SS*.THydrogen-bonded Turntrans-92.3-2.6172.748.50000114.2R1024 K1025 L1026R1024-T1028 PolarHBondContact O-N 3.35Å; R1024-T1028 PolarHBondContact O-OG1 3.17Å; K1025-T1028 WeakPolarHBondContact CA-OG1 3.48Å; K1025-T1028 PolarHBondContact O-N 2.57Å; K1025-T1028 PolarHBondContact O-OG1 3.41Å; L1026-T1028 PolarHBondContact O-N 3.35Å; L1026-T1028 VanDerWaalsContact O-N 3.13Å
1029H69.1Low76.1Confident55 Ų5576.5 Ų76.526%0.25537%0.374SS..SBendtrans-102.1129.6164.9-78.1-97.2000108.3K1025 L1026 E1031 V1032 F1073K1025-H1029 PolarHBondContact O-CD2 3.17Å; L1026-H1029 PolarHBondContact O-N 3.45Å; L1026-H1029 VanDerWaalsContact O-O 3.05Å; H1029-E1031 PolarHBondContact O-N 3.24Å; H1029-V1032 WeakPolarHBondContact O-CG2 3.42Å; H1029-F1073 HydrophobicContact CB-CE2 4.12Å; H1029-F1073 HydrophobicContact CB-CZ 3.99Å; H1029-F1073 AromaticContact CG-CE2 3.98Å
1030H55.6Low75.8Confident197 Ų19776.2 Ų76.291%0.91237%0.372SS*.THydrogen-bonded Turntrans-73.16.6-171.1-86.6-100.3000115.4
1031E58.8Low75.5Confident87 Ų8771.1 Ų71.141%0.40735%0.351SS..THydrogen-bonded Turntrans-101.325.1-176-67173.5-132.100113.6H1029 D1033 I1034 F1073H1029-E1031 PolarHBondContact O-N 3.24Å; E1031-D1033 VanDerWaalsContact C-N 3.26Å; E1031-D1033 PolarHBondContact O-N 2.92Å; E1031-I1034 HydrophobicContact CB-CD1 4.05Å; E1031-I1034 HydrophobicContact CB-CG1 4.45Å; E1031-I1034 HydrophobicContact CG-CD1 4.15Å; E1031-I1034 PolarHBondContact O-N 3.26Å; E1031-I1034 VanDerWaalsContact O-N 3.11Å; E1031-F1073 HydrophobicContact CB-CE1 4.35Å; E1031-F1073 HydrophobicContact CB-CZ 4.5Å
1032V56.4Low75.2Confident28 Ų2872.4 Ų72.417%0.1736%0.358CS..G310 helixtrans-56.1-38.5-170.2-174.80000113.1L992 L1027 H1029 I1034L992-V1032 HydrophobicContact CB-CG1 4.46Å; L992-V1032 HydrophobicContact CD1-CG1 4.08Å; L992-V1032 HydrophobicContact CD2-CG1 3.84Å; L992-V1032 HydrophobicContact CG-CG1 4.35Å; L1027-V1032 HydrophobicContact CD2-CG2 4.46Å; H1029-V1032 WeakPolarHBondContact O-CG2 3.42Å; V1032-I1034 PolarHBondContact O-N 2.9Å
1033D54.4Low75.1Confident150 Ų15072.4 Ų72.480%0.80236%0.358SS*.G310 helixtrans-75.3-6.6-175.6-60.9-45.3000113.9E1031E1031-D1033 VanDerWaalsContact C-N 3.26Å; E1031-D1033 PolarHBondContact O-N 2.92Å
1034I54.4Low75.1Confident98 Ų9871.8 Ų71.850%0.50335%0.354SS..G310 helixtrans-93.3-5.9-175.2-47.8-177.7000111.9E1031 V1032 T1036E1031-I1034 HydrophobicContact CB-CD1 4.05Å; E1031-I1034 HydrophobicContact CB-CG1 4.45Å; E1031-I1034 HydrophobicContact CG-CD1 4.15Å; E1031-I1034 PolarHBondContact O-N 3.26Å; E1031-I1034 VanDerWaalsContact O-N 3.11Å; V1032-I1034 PolarHBondContact O-N 2.9Å; I1034-T1036 PolarHBondContact O-N 2.86Å
1035F63Low75.2Confident23 Ų2366.8 Ų66.810%0.10134%0.34CS..  trans-74.392.8-178.3-85.2-76.7000113.7L1026 R1039 L1040 L1043 F1073L1026-F1035 HydrophobicContact CD2-CE2 3.98Å; L1026-F1035 HydrophobicContact CD2-CZ 3.94Å; F1035-R1039 HydrophobicContact CD1-CB 4.08Å; F1035-R1039 HydrophobicContact CE1-CB 4.36Å; F1035-L1040 HydrophobicContact CD1-CB 4.03Å; F1035-L1040 HydrophobicContact CD1-CD1 4.38Å; F1035-L1043 HydrophobicContact CE1-CD1 3.83Å; F1035-L1043 HydrophobicContact CZ-CD1 3.79Å; F1035-F1073 HydrophobicContact CE2-CE2 4.08Å; F1035-F1073 AromaticContact CE2-CZ 3.68Å; F1035-F1073 HydrophobicContact CE2-CZ 3.68Å; F1035-F1073 HydrophobicContact CZ-CE1 4.45Å; F1035-F1073 AromaticContact CZ-CE2 3.73Å; F1035-F1073 HydrophobicContact CZ-CE2 3.73Å; F1035-F1073 AromaticContact CZ-CZ 3.62Å; F1035-F1073 HydrophobicContact CZ-CZ 3.62Å
1036T70.6Confident75.2Confident82 Ų8267.1 Ų67.150%0.50334%0.343SS..  trans-59.5144.315470.90000109.5I1034 S1038 R1039 L1040I1034-T1036 PolarHBondContact O-N 2.86Å; T1036-S1038 PolarHBondContact O-N 3.06Å; T1036-R1039 PolarHBondContact O-N 2.72Å; T1036-R1039 PolarHBondContact OG1-N 2.68Å; T1036-L1040 PolarHBondContact O-N 3.03Å; T1036-L1040 VanDerWaalsContact O-N 3.13Å
1037K77.8Confident75.3Confident139 Ų13967.5 Ų67.560%0.60435%0.345SS*.Hα-helixtrans-53.7-30.5177.5-174.5179.3176.9-176.70112.9D1041K1037-D1041 WeakPolarHBondContact O-CB 3.46Å; K1037-D1041 PolarHBondContact O-N 3.3Å
1038S78.9Confident75.7Confident74 Ų7464.6 Ų64.652%0.51733%0.329SS..Hα-helixtrans-64.5-49.3175.6-167.40000112.4T1036 L1040 D1041 Q1042T1036-S1038 PolarHBondContact O-N 3.06Å; S1038-L1040 VanDerWaalsContact C-N 3.33Å; S1038-L1040 PolarHBondContact O-N 3.38Å; S1038-D1041 PolarHBondContact O-N 3.32Å; S1038-Q1042 WeakPolarHBondContact O-CG 3.46Å; S1038-Q1042 PolarHBondContact O-N 2.61Å
1039R81.6Confident76.2Confident57 Ų5761.8 Ų61.822%0.21531%0.312CS..Hα-helixtrans-61.1-40.4175.4-86.4178.8146.1-148.1-2.9111.7F1035 T1036 Q1042 L1043 P1077F1035-R1039 HydrophobicContact CD1-CB 4.08Å; F1035-R1039 HydrophobicContact CE1-CB 4.36Å; T1036-R1039 PolarHBondContact O-N 2.72Å; T1036-R1039 PolarHBondContact OG1-N 2.68Å; R1039-Q1042 PolarHBondContact O-N 3.39Å; R1039-L1043 WeakPolarHBondContact O-CB 3.28Å; R1039-L1043 PolarHBondContact O-N 2.83Å; R1039-P1077 PolarHBondContact NE-O 3.11Å; R1039-P1077 PolarHBondContact NH2-O 2.97Å; R1039-P1077 PolarHBondContact NH2-OXT 3.39Å
1040L86.6Confident77Confident0 Ų063.7 Ų63.70%032%0.321CS..Hα-helixtrans-66.2-43.2177.7-175.463.9000112.4Q995 V996 L1026 F1035 T1036 S1038 L1043 I1044Q995-L1040 HydrophobicContact CB-CD2 3.66Å; V996-L1040 HydrophobicContact CG2-CD1 4.42Å; V996-L1040 HydrophobicContact CG2-CD2 4.45Å; L1026-L1040 HydrophobicContact CD1-CD1 3.86Å; F1035-L1040 HydrophobicContact CD1-CB 4.03Å; F1035-L1040 HydrophobicContact CD1-CD1 4.38Å; T1036-L1040 PolarHBondContact O-N 3.03Å; T1036-L1040 VanDerWaalsContact O-N 3.13Å; S1038-L1040 VanDerWaalsContact C-N 3.33Å; S1038-L1040 PolarHBondContact O-N 3.38Å; L1040-L1043 PolarHBondContact O-N 2.93Å; L1040-I1044 HydrophobicContact CD1-CD1 4.13Å; L1040-I1044 HydrophobicContact CG-CD1 4.06Å; L1040-I1044 WeakPolarHBondContact O-CG1 3.45Å; L1040-I1044 PolarHBondContact O-N 3.4Å; L1040-I1044 VanDerWaalsContact O-N 3.09Å
1041D87.1Confident78.5Confident27 Ų2755 Ų5514%0.14428%0.28CS..Hα-helixtrans-60.7-45.7174.5-85.4-5.9000111S999 R1002 K1037 S1038 I1044 D1045S999-D1041 WeakPolarHBondContact CB-OD1 3.4Å; S999-D1041 PolarHBondContact OG-OD1 3.25Å; R1002-D1041 IonicContact CZ-OD1 3.81Å; R1002-D1041 IonicContact CZ-OD2 3.81Å; R1002-D1041 IonicContact NE-OD1 3.4Å; R1002-D1041 PolarHBondContact NE-OD1 3.16Å; R1002-D1041 IonicContact NE-OD2 3.87Å; R1002-D1041 IonicContact NH1-OD1 2.57Å; R1002-D1041 IonicContact NH1-OD2 3.64Å; R1002-D1041 PolarHBondContact NH1-OD2 3.49Å; R1002-D1041 IonicContact NH2-OD1 2.75Å; K1037-D1041 WeakPolarHBondContact O-CB 3.46Å; K1037-D1041 PolarHBondContact O-N 3.3Å; S1038-D1041 PolarHBondContact O-N 3.32Å; D1041-I1044 PolarHBondContact O-N 3.48Å; D1041-D1045 WeakPolarHBondContact O-CB 3.37Å; D1041-D1045 PolarHBondContact O-N 2.93Å
1042Q85.4Confident79.6Confident86 Ų8654.4 Ų54.440%0.40228%0.283SS..Hα-helixtrans-62.7-43.2176.8-73.3176.8-5.700113.2S1038 R1039 I1044 D1045 Q1046 L1076S1038-Q1042 WeakPolarHBondContact O-CG 3.46Å; S1038-Q1042 PolarHBondContact O-N 2.61Å; R1039-Q1042 PolarHBondContact O-N 3.39Å; Q1042-I1044 VanDerWaalsContact C-N 3.34Å; Q1042-I1044 PolarHBondContact O-N 3.27Å; Q1042-D1045 PolarHBondContact O-N 3.04Å; Q1042-Q1046 PolarHBondContact O-N 2.95Å; Q1042-L1076 HydrophobicContact CB-CD2 3.92Å
1043L87.8Confident80.9Confident0 Ų059.7 Ų59.70%031%0.306CS..Hα-helixtrans-60-45.5177.4-172.7157.2000110.8L1022 L1026 F1035 R1039 L1040 Q1046 L1047 I1072 F1073 L1076L1022-L1043 HydrophobicContact CD1-CD2 4.39Å; L1026-L1043 HydrophobicContact CD2-CD1 4.26Å; F1035-L1043 HydrophobicContact CE1-CD1 3.83Å; F1035-L1043 HydrophobicContact CZ-CD1 3.79Å; R1039-L1043 WeakPolarHBondContact O-CB 3.28Å; R1039-L1043 PolarHBondContact O-N 2.83Å; L1040-L1043 PolarHBondContact O-N 2.93Å; L1043-Q1046 PolarHBondContact O-N 2.99Å; L1043-L1047 VanDerWaalsContact O-CB 3.26Å; L1043-L1047 WeakPolarHBondContact O-CB 3.42Å; L1043-L1047 PolarHBondContact O-N 3.09Å; L1043-I1072 HydrophobicContact CG-CG2 4.12Å; L1043-F1073 HydrophobicContact CD1-CD2 4.14Å; L1043-F1073 HydrophobicContact CD1-CE2 4.26Å; L1043-L1076 HydrophobicContact CB-CD1 3.88Å; L1043-L1076 HydrophobicContact CD1-CD1 4.09Å; L1043-L1076 HydrophobicContact CG-CD1 4.21Å
1044I89.9Confident82.3Confident1 Ų155.8 Ų55.81%0.00529%0.287CS..Hα-helixtrans-65.9-41.6177.6-73.6165.7000111.2S999 L1000 L1022 L1040 D1041 Q1042 L1047 L1048S999-I1044 VanDerWaalsContact CB-CD1 3.42Å; L1000-I1044 HydrophobicContact CD2-CD1 4.34Å; L1000-I1044 HydrophobicContact CD2-CG1 4.46Å; L1000-I1044 HydrophobicContact CD2-CG2 3.82Å; L1000-I1044 HydrophobicContact CG-CD1 4.21Å; L1022-I1044 HydrophobicContact CD2-CD1 3.95Å; L1022-I1044 HydrophobicContact CD2-CG1 3.75Å; L1040-I1044 HydrophobicContact CD1-CD1 4.13Å; L1040-I1044 HydrophobicContact CG-CD1 4.06Å; L1040-I1044 WeakPolarHBondContact O-CG1 3.45Å; L1040-I1044 PolarHBondContact O-N 3.4Å; L1040-I1044 VanDerWaalsContact O-N 3.09Å; D1041-I1044 PolarHBondContact O-N 3.48Å; Q1042-I1044 VanDerWaalsContact C-N 3.34Å; Q1042-I1044 PolarHBondContact O-N 3.27Å; I1044-L1047 PolarHBondContact O-N 3.48Å; I1044-L1048 HydrophobicContact CG2-CD1 3.91Å; I1044-L1048 HydrophobicContact CG2-CG 4.43Å; I1044-L1048 WeakPolarHBondContact O-CB 3.4Å; I1044-L1048 WeakPolarHBondContact O-CG 3.26Å; I1044-L1048 PolarHBondContact O-N 3.14Å
1045D88.8Confident83.5Confident62 Ų6260 Ų6033%0.33230%0.302SS..Hα-helixtrans-66.6-36.4179.7-67.8-19.8000111.9R1002 H1003 D1041 Q1042 V1049R1002-D1045 IonicContact CZ-OD2 2.74Å; R1002-D1045 IonicContact NH2-OD1 2.83Å; R1002-D1045 PolarHBondContact NH2-OD1 3.02Å; R1002-D1045 IonicContact NH2-OD2 2.93Å; R1002-D1045 PolarHBondContact NH2-OD2 3.3Å; H1003-D1045 IonicContact CD2-OD1 3.81Å; H1003-D1045 IonicContact CE1-OD1 3.39Å; H1003-D1045 PolarHBondContact CE1-OD1 3.36Å; H1003-D1045 IonicContact NE2-OD1 2.68Å; H1003-D1045 PolarHBondContact NE2-OD1 2.85Å; D1041-D1045 WeakPolarHBondContact O-CB 3.37Å; D1041-D1045 PolarHBondContact O-N 2.93Å; Q1042-D1045 PolarHBondContact O-N 3.04Å; D1045-V1049 PolarHBondContact O-N 3.14Å
1046Q86.6Confident84.6Confident76 Ų7661.8 Ų61.836%0.35532%0.315SS..Hα-helixtrans-71.8-38.4171-72.4-164.332.600113.6Q1042 L1043 L1048 V1049 I1072Q1042-Q1046 PolarHBondContact O-N 2.95Å; L1043-Q1046 PolarHBondContact O-N 2.99Å; Q1046-L1048 VanDerWaalsContact C-N 3.31Å; Q1046-L1048 PolarHBondContact O-N 3.44Å; Q1046-V1049 WeakPolarHBondContact O-CG1 3.43Å; Q1046-I1072 HydrophobicContact CB-CD1 4.05Å; Q1046-I1072 HydrophobicContact CB-CG1 4.25Å; Q1046-I1072 HydrophobicContact CB-CG2 4.11Å
1047L88.8Confident85.4Confident11 Ų1162.9 Ų62.96%0.05831%0.314CS..Hα-helixtrans-66.4-34.7-179.5-173.969.9000111.8L1022 L1043 I1044 I1064 W1066 L1069 I1072L1022-L1047 HydrophobicContact CD1-CD2 4.3Å; L1043-L1047 VanDerWaalsContact O-CB 3.26Å; L1043-L1047 WeakPolarHBondContact O-CB 3.42Å; L1043-L1047 PolarHBondContact O-N 3.09Å; I1044-L1047 PolarHBondContact O-N 3.48Å; L1047-I1064 HydrophobicContact CD1-CG2 4.04Å; L1047-I1064 HydrophobicContact CD2-CG2 4.3Å; L1047-I1064 HydrophobicContact CG-CG2 3.98Å; L1047-W1066 HydrophobicContact CD2-CZ3 4.15Å; L1047-L1069 HydrophobicContact CD1-CB 4.33Å; L1047-L1069 HydrophobicContact CD1-CD1 4.4Å; L1047-L1069 HydrophobicContact CD2-CD1 4.19Å; L1047-I1072 HydrophobicContact CB-CD1 4.22Å; L1047-I1072 HydrophobicContact CD1-CD1 4.18Å
1048L90.6Very high86Confident1 Ų156.2 Ų56.21%0.00529%0.285CS..SBendtrans-96.3-0.3-177.5-58.8-176.4000114.1L1000 H1003 L1008 I1044 Q1046 H1050 F1051 V1052 I1058 I1064L1000-L1048 HydrophobicContact CD2-CD1 4.1Å; H1003-L1048 HydrophobicContact CB-CD1 4.29Å; L1008-L1048 HydrophobicContact CD2-CB 4.23Å; L1008-L1048 HydrophobicContact CD2-CD1 4.2Å; I1044-L1048 HydrophobicContact CG2-CD1 3.91Å; I1044-L1048 HydrophobicContact CG2-CG 4.43Å; I1044-L1048 WeakPolarHBondContact O-CB 3.4Å; I1044-L1048 WeakPolarHBondContact O-CG 3.26Å; I1044-L1048 PolarHBondContact O-N 3.14Å; Q1046-L1048 VanDerWaalsContact C-N 3.31Å; Q1046-L1048 PolarHBondContact O-N 3.44Å; L1048-H1050 VanDerWaalsContact C-N 3.27Å; L1048-H1050 PolarHBondContact O-N 3.49Å; L1048-H1050 VanDerWaalsContact O-N 3.13Å; L1048-F1051 HydrophobicContact CD2-CD2 4.47Å; L1048-F1051 WeakPolarHBondContact O-CB 3.43Å; L1048-F1051 PolarHBondContact O-N 3.27Å; L1048-V1052 PolarHBondContact O-N 2.95Å; L1048-I1058 HydrophobicContact CD2-CD1 3.9Å; L1048-I1064 HydrophobicContact CD2-CD1 3.74Å; L1048-I1064 HydrophobicContact CD2-CG1 4.29Å
1049V88Confident86.4Confident44 Ų4457.6 Ų57.627%0.26728%0.284SS..Hα-helixtrans-53.1-41.2-170.678.20000113.2D1045 Q1046 F1051 V1052 E1053D1045-V1049 PolarHBondContact O-N 3.14Å; Q1046-V1049 WeakPolarHBondContact O-CG1 3.43Å; V1049-F1051 VanDerWaalsContact C-N 3.32Å; V1049-F1051 PolarHBondContact O-N 3.03Å; V1049-V1052 WeakPolarHBondContact O-CB 3.47Å; V1049-V1052 PolarHBondContact O-N 3.35Å; V1049-V1052 VanDerWaalsContact O-N 3.09Å; V1049-E1053 HydrophobicContact CG2-CG 4.31Å; V1049-E1053 WeakPolarHBondContact O-CG 3.33Å; V1049-E1053 PolarHBondContact O-N 2.73Å
1050H85Confident86.7Confident94 Ų9458.3 Ų58.344%0.43529%0.294SS..Hα-helixtrans-58.8-38.7178176.4-96.5000113.2L1048 T1054L1048-H1050 VanDerWaalsContact C-N 3.27Å; L1048-H1050 PolarHBondContact O-N 3.49Å; L1048-H1050 VanDerWaalsContact O-N 3.13Å; H1050-T1054 WeakPolarHBondContact O-CB 3.47Å; H1050-T1054 WeakPolarHBondContact O-CG2 3.3Å; H1050-T1054 PolarHBondContact O-N 3.27Å; H1050-T1054 PolarHBondContact O-OG1 3.44Å
1051F87.9Confident86.8Confident15 Ų1558.8 Ų58.87%0.06630%0.297CS..Hα-helixtrans-72.6-34.8177.9-64.4-83.9000111.6L1008 L1048 V1049 K1055 T1056 I1058 D1063 I1064L1008-F1051 HydrophobicContact CD1-CB 4.15Å; L1008-F1051 HydrophobicContact CD2-CB 4.1Å; L1008-F1051 HydrophobicContact CG-CB 4.11Å; L1048-F1051 HydrophobicContact CD2-CD2 4.47Å; L1048-F1051 WeakPolarHBondContact O-CB 3.43Å; L1048-F1051 PolarHBondContact O-N 3.27Å; V1049-F1051 VanDerWaalsContact C-N 3.32Å; V1049-F1051 PolarHBondContact O-N 3.03Å; F1051-K1055 VanDerWaalsContact O-CA 3.27Å; F1051-K1055 WeakPolarHBondContact O-CA 3.45Å; F1051-K1055 PolarHBondContact O-N 3.29Å; F1051-T1056 WeakPolarHBondContact CD1-OG1 3.26Å; F1051-T1056 PolarHBondContact O-N 3.13Å; F1051-I1058 HydrophobicContact CB-CG1 4.41Å; F1051-I1058 HydrophobicContact CD1-CD1 4.47Å; F1051-I1058 HydrophobicContact CD1-CG1 3.53Å; F1051-I1058 HydrophobicContact CD2-CD1 4.27Å; F1051-I1058 HydrophobicContact CD2-CG1 4.08Å; F1051-I1058 HydrophobicContact CE1-CG1 3.7Å; F1051-I1058 HydrophobicContact CE2-CG1 4.23Å; F1051-I1058 HydrophobicContact CG-CD1 4.19Å; F1051-I1058 HydrophobicContact CG-CG1 3.73Å; F1051-I1058 HydrophobicContact CZ-CG1 4.05Å; F1051-D1063 HydrophobicContact CE1-CB 4.15Å; F1051-D1063 HydrophobicContact CZ-CB 3.9Å; F1051-D1063 WeakPolarHBondContact CZ-O 3.49Å; F1051-I1064 HydrophobicContact CE2-CG1 3.86Å; F1051-I1064 HydrophobicContact CZ-CG1 4.2Å
1052V82.4Confident86.8Confident75 Ų7562.8 Ų62.846%0.45532%0.319SS..Hα-helixtrans-67.9-42.1175.8-179.90000110.9L1008 L1048 V1049L1008-V1052 HydrophobicContact CD1-CG2 4.15Å; L1008-V1052 HydrophobicContact CD2-CG2 4.03Å; L1048-V1052 PolarHBondContact O-N 2.95Å; V1049-V1052 WeakPolarHBondContact O-CB 3.47Å; V1049-V1052 PolarHBondContact O-N 3.35Å; V1049-V1052 VanDerWaalsContact O-N 3.09Å
1053E83.9Confident86.9Confident139 Ų13962 Ų6265%0.6532%0.318SS*.Hα-helixtrans-71.9-49.6179.6-70.1169.415400112.3V1049 K1055V1049-E1053 HydrophobicContact CG2-CG 4.31Å; V1049-E1053 WeakPolarHBondContact O-CG 3.33Å; V1049-E1053 PolarHBondContact O-N 2.73Å; E1053-K1055 VanDerWaalsContact C-N 3.28Å; E1053-K1055 PolarHBondContact O-N 3.09Å
1054T82.4Confident86.9Confident68 Ų6862.2 Ų62.242%0.41732%0.319SS..Hα-helixtrans-78.9-8.8-179.261.40000114H1050 T1056H1050-T1054 WeakPolarHBondContact O-CB 3.47Å; H1050-T1054 WeakPolarHBondContact O-CG2 3.3Å; H1050-T1054 PolarHBondContact O-N 3.27Å; H1050-T1054 PolarHBondContact O-OG1 3.44Å; T1054-T1056 PolarHBondContact O-N 3.48Å; T1054-T1056 WeakPolarHBondContact OG1-CG2 3.4Å; T1054-T1056 PolarHBondContact OG1-OG1 3.33Å
1055K80.4Confident86.7Confident185 Ų18566.1 Ų66.180%0.80434%0.339SS*.  trans55.525.4-172.4-57.1179.2-179.5175.30113.9F1051 E1053F1051-K1055 VanDerWaalsContact O-CA 3.27Å; F1051-K1055 WeakPolarHBondContact O-CA 3.45Å; F1051-K1055 PolarHBondContact O-N 3.29Å; E1053-K1055 VanDerWaalsContact C-N 3.28Å; E1053-K1055 PolarHBondContact O-N 3.09Å
1056T85.2Confident86.6Confident62 Ų6264.2 Ų64.238%0.3833%0.328SS..PPolyproline II helixtrans-80.8142.4177.151.30000111F1051 T1054F1051-T1056 WeakPolarHBondContact CD1-OG1 3.26Å; F1051-T1056 PolarHBondContact O-N 3.13Å; T1054-T1056 PolarHBondContact O-N 3.48Å; T1054-T1056 WeakPolarHBondContact OG1-CG2 3.4Å; T1054-T1056 PolarHBondContact OG1-OG1 3.33Å
1057Q88.6Confident86.4Confident104 Ų10464.8 Ų64.849%0.48634%0.34SS..PPolyproline II helixtrans-88.4132175.7-73.8-165.5-3300111.6G1007 Q1059G1007-Q1057 PolarHBondContact O-NE2 3.01Å; Q1057-Q1059 PolarHBondContact O-N 3.38Å
1058I90.1Very high86Confident0 Ų069.3 Ų69.30%036%0.356CS..BIsolated β-bridgetrans-69.5119.5170.9-54.8160000108.4L1008 F1009 K1010 V1018 L1048 F1051 V1060 I1064L1008-I1058 HydrophobicContact CD2-CD1 4.24Å; L1008-I1058 HydrophobicContact CG-CD1 4.41Å; L1008-I1058 PolarHBondContact O-N 2.79Å; F1009-I1058 HydrophobicContact CD1-CB 4.07Å; F1009-I1058 HydrophobicContact CD1-CD1 4.16Å; F1009-I1058 HydrophobicContact CD1-CG2 4.26Å; F1009-I1058 HydrophobicContact CE1-CB 4.4Å; F1009-I1058 HydrophobicContact CE1-CD1 3.79Å; F1009-I1058 HydrophobicContact CE1-CG2 4.37Å; F1009-I1058 HydrophobicContact CE2-CD1 4.42Å; F1009-I1058 HydrophobicContact CZ-CD1 3.93Å; K1010-I1058 PolarHBondContact N-O 3.09Å; V1018-I1058 HydrophobicContact CG2-CG2 3.96Å; L1048-I1058 HydrophobicContact CD2-CD1 3.9Å; F1051-I1058 HydrophobicContact CB-CG1 4.41Å; F1051-I1058 HydrophobicContact CD1-CD1 4.47Å; F1051-I1058 HydrophobicContact CD1-CG1 3.53Å; F1051-I1058 HydrophobicContact CD2-CD1 4.27Å; F1051-I1058 HydrophobicContact CD2-CG1 4.08Å; F1051-I1058 HydrophobicContact CE1-CG1 3.7Å; F1051-I1058 HydrophobicContact CE2-CG1 4.23Å; F1051-I1058 HydrophobicContact CG-CD1 4.19Å; F1051-I1058 HydrophobicContact CG-CG1 3.73Å; F1051-I1058 HydrophobicContact CZ-CG1 4.05Å; I1058-V1060 WeakPolarHBondContact CG2-O 3.23Å; I1058-I1064 HydrophobicContact CD1-CD1 4.48Å
1059Q88.1Confident85.6Confident103 Ų10369.2 Ų69.248%0.48136%0.356SS..  trans-99.8-37.7179.4-52.5-154.735.300111.9K1010 A1014 Q1057 D1063K1010-Q1059 HydrophobicContact CB-CG 4.35Å; K1010-Q1059 HydrophobicContact CD-CB 4.03Å; K1010-Q1059 HydrophobicContact CD-CG 3.78Å; K1010-Q1059 VanDerWaalsContact CD-OE1 3.25Å; A1014-Q1059 VanDerWaalsContact CB-O 3.28Å; A1014-Q1059 WeakPolarHBondContact CB-O 3.5Å; Q1057-Q1059 PolarHBondContact O-N 3.38Å; Q1059-D1063 WeakPolarHBondContact CA-OD2 3.35Å; Q1059-D1063 PolarHBondContact N-OD2 2.89Å
1060V88Confident84.8Confident71 Ų7169.3 Ų69.343%0.4336%0.361SS..SBendtrans-139164177.8-70.40000111.1I1058 D1062 D1063I1058-V1060 WeakPolarHBondContact CG2-O 3.23Å; V1060-D1062 HydrophobicContact CG2-CB 4.3Å; V1060-D1062 PolarHBondContact O-N 3.1Å; V1060-D1063 VanDerWaalsContact CG2-OD1 3.26Å; V1060-D1063 WeakPolarHBondContact CG2-OD1 3.24Å; V1060-D1063 PolarHBondContact N-OD2 2.84Å; V1060-D1063 PolarHBondContact O-N 3.45Å
1061S87.6Confident84.4Confident10 Ų1066.3 Ų66.37%0.0736%0.356CS..THydrogen-bonded Turntrans-70.52.8177.652.30000114.8S1017 K1021 W1066S1017-S1061 WeakPolarHBondContact OG-CB 3.5Å; S1017-S1061 PolarHBondContact OG-OG 3.38Å; K1021-S1061 WeakPolarHBondContact CD-O 3.5Å; K1021-S1061 PolarHBondContact NZ-O 3.04Å; S1061-W1066 PolarHBondContact O-NE1 3.29Å
1062D87.4Confident84Confident112 Ų11266 Ų6660%0.59935%0.354SS*.THydrogen-bonded Turntrans-106-8.8-177.8-53.3-38.2000112K1021 V1060 I1064K1021-D1062 IonicContact NZ-OD1 2.61Å; K1021-D1062 PolarHBondContact NZ-OD1 3.28Å; V1060-D1062 HydrophobicContact CG2-CB 4.3Å; V1060-D1062 PolarHBondContact O-N 3.1Å; D1062-I1064 PolarHBondContact O-N 3.02Å
1063D86.6Confident83.5Confident70 Ų7063.7 Ų63.737%0.37434%0.338SS..SBendtrans-66.8-28170.2-52.9-31.3000111.8F1051 Q1059 V1060F1051-D1063 HydrophobicContact CE1-CB 4.15Å; F1051-D1063 HydrophobicContact CZ-CB 3.9Å; F1051-D1063 WeakPolarHBondContact CZ-O 3.49Å; Q1059-D1063 WeakPolarHBondContact CA-OD2 3.35Å; Q1059-D1063 PolarHBondContact N-OD2 2.89Å; V1060-D1063 VanDerWaalsContact CG2-OD1 3.26Å; V1060-D1063 WeakPolarHBondContact CG2-OD1 3.24Å; V1060-D1063 PolarHBondContact N-OD2 2.84Å; V1060-D1063 PolarHBondContact O-N 3.45Å
1064I87.7Confident82.8Confident4 Ų464.5 Ų64.52%0.02135%0.346CS..SBendtrans-79.8129.8-179-61.3173.7000109.7V1018 L1047 L1048 F1051 I1058 D1062 W1066V1018-I1064 HydrophobicContact CB-CD1 4.32Å; V1018-I1064 HydrophobicContact CG1-CD1 3.64Å; V1018-I1064 HydrophobicContact CG2-CD1 3.65Å; L1047-I1064 HydrophobicContact CD1-CG2 4.04Å; L1047-I1064 HydrophobicContact CD2-CG2 4.3Å; L1047-I1064 HydrophobicContact CG-CG2 3.98Å; L1048-I1064 HydrophobicContact CD2-CD1 3.74Å; L1048-I1064 HydrophobicContact CD2-CG1 4.29Å; F1051-I1064 HydrophobicContact CE2-CG1 3.86Å; F1051-I1064 HydrophobicContact CZ-CG1 4.2Å; I1058-I1064 HydrophobicContact CD1-CD1 4.48Å; D1062-I1064 PolarHBondContact O-N 3.02Å; I1064-W1066 HydrophobicContact CB-CZ2 4.03Å; I1064-W1066 HydrophobicContact CD1-CH2 4.39Å; I1064-W1066 HydrophobicContact CD1-CZ2 3.98Å; I1064-W1066 HydrophobicContact CG2-CD2 4.25Å; I1064-W1066 HydrophobicContact CG2-CZ2 4.11Å; I1064-W1066 PolarHBondContact O-N 3.38Å; I1064-W1066 VanDerWaalsContact O-N 3.09Å; I1064-W1066 PolarHBondContact O-NE1 3.12Å; I1064-W1066 VanDerWaalsContact O-NE1 3.11Å
1065D86.3Confident82.2Confident83 Ų8370.7 Ų70.744%0.44436%0.362SS..  trans-73.198.5170.6176.610.7000111.5S1067 R1068D1065-S1067 VanDerWaalsContact C-N 3.26Å; D1065-S1067 VanDerWaalsContact CG-OG 3.3Å; D1065-S1067 PolarHBondContact O-N 3.4Å; D1065-S1067 VanDerWaalsContact OD1-CB 3.23Å; D1065-S1067 WeakPolarHBondContact OD1-CB 3.22Å; D1065-S1067 PolarHBondContact OD1-N 3.09Å; D1065-S1067 PolarHBondContact OD1-OG 2.93Å; D1065-S1067 PolarHBondContact OD2-OG 3.35Å; D1065-R1068 WeakPolarHBondContact OD2-CD 3.27Å; D1065-R1068 VanDerWaalsContact OD2-CG 3.31Å; D1065-R1068 WeakPolarHBondContact OD2-CG 3.49Å
1066W87.3Confident81.4Confident22 Ų2262.9 Ų62.98%0.08333%0.329CS..SBendtrans-79.21.3178.7-59.191.8000114.7K1021 L1022 K1025 L1047 S1061 I1064 L1069K1021-W1066 HydrophobicContact CB-CH2 4.11Å; K1021-W1066 HydrophobicContact CB-CZ2 4.02Å; K1021-W1066 HydrophobicContact CD-CD2 4.34Å; K1021-W1066 HydrophobicContact CD-CZ2 3.71Å; K1021-W1066 HydrophobicContact CG-CD2 4.5Å; K1021-W1066 HydrophobicContact CG-CH2 4.21Å; K1021-W1066 HydrophobicContact CG-CZ2 3.9Å; K1021-W1066 VanDerWaalsContact NZ-CD1 3.25Å; L1022-W1066 HydrophobicContact CB-CH2 4.04Å; L1022-W1066 HydrophobicContact CB-CZ3 4.09Å; L1022-W1066 HydrophobicContact CD1-CZ3 4.14Å; K1025-W1066 HydrophobicContact CD-CE3 4.38Å; K1025-W1066 HydrophobicContact CG-CE3 3.89Å; K1025-W1066 HydrophobicContact CG-CZ3 4.31Å; K1025-W1066 PolarHBondContact NZ-O 3.21Å; L1047-W1066 HydrophobicContact CD2-CZ3 4.15Å; S1061-W1066 PolarHBondContact O-NE1 3.29Å; I1064-W1066 HydrophobicContact CB-CZ2 4.03Å; I1064-W1066 HydrophobicContact CD1-CH2 4.39Å; I1064-W1066 HydrophobicContact CD1-CZ2 3.98Å; I1064-W1066 HydrophobicContact CG2-CD2 4.25Å; I1064-W1066 HydrophobicContact CG2-CZ2 4.11Å; I1064-W1066 PolarHBondContact O-N 3.38Å; I1064-W1066 VanDerWaalsContact O-N 3.09Å; I1064-W1066 PolarHBondContact O-NE1 3.12Å; I1064-W1066 VanDerWaalsContact O-NE1 3.11Å; W1066-L1069 HydrophobicContact CE3-CD1 3.81Å; W1066-L1069 HydrophobicContact CZ3-CD1 3.95Å
1067S81.5Confident79.8Confident88 Ų8866.8 Ų66.862%0.61536%0.355SS*.SBendtrans-76.8-39.517276.50000110.9D1065 L1069D1065-S1067 VanDerWaalsContact C-N 3.26Å; D1065-S1067 VanDerWaalsContact CG-OG 3.3Å; D1065-S1067 PolarHBondContact O-N 3.4Å; D1065-S1067 VanDerWaalsContact OD1-CB 3.23Å; D1065-S1067 WeakPolarHBondContact OD1-CB 3.22Å; D1065-S1067 PolarHBondContact OD1-N 3.09Å; D1065-S1067 PolarHBondContact OD1-OG 2.93Å; D1065-S1067 PolarHBondContact OD2-OG 3.35Å; S1067-L1069 PolarHBondContact O-N 3.1Å; S1067-L1069 VanDerWaalsContact O-N 3.1Å
1068R80.8Confident79.4Confident105 Ų10564.9 Ų64.940%0.39635%0.349SS..Hα-helixtrans-57-25.3175.9-75.417365.3161.60.1114.1D1065 A1070 G1071 I1072D1065-R1068 WeakPolarHBondContact OD2-CD 3.27Å; D1065-R1068 VanDerWaalsContact OD2-CG 3.31Å; D1065-R1068 WeakPolarHBondContact OD2-CG 3.49Å; R1068-A1070 VanDerWaalsContact C-N 3.32Å; R1068-A1070 PolarHBondContact O-N 3.37Å; R1068-G1071 CarbonylContact O-C 3.5Å; R1068-G1071 WeakPolarHBondContact O-CA 3.47Å; R1068-G1071 PolarHBondContact O-N 3.41Å; R1068-I1072 HydrophobicContact CB-CD1 4.22Å; R1068-I1072 WeakPolarHBondContact O-CG1 3.35Å; R1068-I1072 PolarHBondContact O-N 3.42Å
1069L81.6Confident78.8Confident0 Ų068.3 Ų68.30%037%0.367CS..Hα-helixtrans-59.6-39.2-172.4-163.9149.2000112.8L1022 K1025 L1047 W1066 S1067 I1072 F1073L1022-L1069 HydrophobicContact CD1-CD1 3.84Å; K1025-L1069 HydrophobicContact CB-CD1 4.15Å; K1025-L1069 HydrophobicContact CD-CD1 4.43Å; K1025-L1069 HydrophobicContact CG-CD1 4.49Å; L1047-L1069 HydrophobicContact CD1-CB 4.33Å; L1047-L1069 HydrophobicContact CD1-CD1 4.4Å; L1047-L1069 HydrophobicContact CD2-CD1 4.19Å; W1066-L1069 HydrophobicContact CE3-CD1 3.81Å; W1066-L1069 HydrophobicContact CZ3-CD1 3.95Å; S1067-L1069 PolarHBondContact O-N 3.1Å; S1067-L1069 VanDerWaalsContact O-N 3.1Å; L1069-I1072 PolarHBondContact O-N 3.21Å; L1069-F1073 HydrophobicContact CD2-CD2 4.3Å; L1069-F1073 PolarHBondContact O-N 3.01Å; L1069-F1073 VanDerWaalsContact O-N 3.09Å
1070A72Confident78.3Confident46 Ų4666.4 Ų66.438%0.3836%0.361SS..Hα-helixtrans-70.4-38.4174.600000112.4R1068 I1072 F1073 L1074R1068-A1070 VanDerWaalsContact C-N 3.32Å; R1068-A1070 PolarHBondContact O-N 3.37Å; A1070-I1072 VanDerWaalsContact C-N 3.3Å; A1070-I1072 PolarHBondContact O-N 2.89Å; A1070-F1073 VanDerWaalsContact O-CB 3.3Å; A1070-F1073 WeakPolarHBondContact O-CB 3.35Å; A1070-F1073 PolarHBondContact O-N 2.65Å; A1070-L1074 WeakPolarHBondContact O-CG 3.38Å; A1070-L1074 PolarHBondContact O-N 3.29Å; A1070-L1074 VanDerWaalsContact O-N 3.12Å
1071G76.2Confident77.8Confident31 Ų3166.1 Ų66.132%0.3236%0.357SS..Hα-helixtrans-72-19.7176.200000114.5R1068 R1075R1068-G1071 CarbonylContact O-C 3.5Å; R1068-G1071 WeakPolarHBondContact O-CA 3.47Å; R1068-G1071 PolarHBondContact O-N 3.41Å; G1071-R1075 VanDerWaalsContact O-CD 3.22Å; G1071-R1075 WeakPolarHBondContact O-CD 3.34Å; G1071-R1075 VanDerWaalsContact O-CG 3.24Å; G1071-R1075 WeakPolarHBondContact O-CG 3.31Å; G1071-R1075 PolarHBondContact O-NE 3.35Å
1072I80.2Confident77.1Confident7 Ų769.6 Ų69.64%0.03638%0.375CS..Hα-helixtrans-78.1-43.7168.3-68.8163.7000109.5L1043 Q1046 L1047 R1068 L1069 A1070 L1074 R1075 L1076L1043-I1072 HydrophobicContact CG-CG2 4.12Å; Q1046-I1072 HydrophobicContact CB-CD1 4.05Å; Q1046-I1072 HydrophobicContact CB-CG1 4.25Å; Q1046-I1072 HydrophobicContact CB-CG2 4.11Å; L1047-I1072 HydrophobicContact CB-CD1 4.22Å; L1047-I1072 HydrophobicContact CD1-CD1 4.18Å; R1068-I1072 HydrophobicContact CB-CD1 4.22Å; R1068-I1072 WeakPolarHBondContact O-CG1 3.35Å; R1068-I1072 PolarHBondContact O-N 3.42Å; L1069-I1072 PolarHBondContact O-N 3.21Å; A1070-I1072 VanDerWaalsContact C-N 3.3Å; A1070-I1072 PolarHBondContact O-N 2.89Å; I1072-L1074 VanDerWaalsContact C-N 3.33Å; I1072-L1074 PolarHBondContact O-N 2.95Å; I1072-R1075 PolarHBondContact O-N 3.26Å; I1072-L1076 HydrophobicContact CG2-CD1 4.08Å; I1072-L1076 HydrophobicContact CG2-CG 4.4Å; I1072-L1076 PolarHBondContact O-N 2.61Å
1073F72.2Confident76.4Confident27 Ų2766.8 Ų66.812%0.11836%0.36CS..Hα-helixtrans-52.1-50.3175.9-129.2-80.4000111.7L1026 H1029 E1031 F1035 L1043 L1069 A1070 R1075 L1076L1026-F1073 HydrophobicContact CD2-CE2 4.26Å; H1029-F1073 HydrophobicContact CB-CE2 4.12Å; H1029-F1073 HydrophobicContact CB-CZ 3.99Å; H1029-F1073 AromaticContact CG-CE2 3.98Å; E1031-F1073 HydrophobicContact CB-CE1 4.35Å; E1031-F1073 HydrophobicContact CB-CZ 4.5Å; F1035-F1073 HydrophobicContact CE2-CE2 4.08Å; F1035-F1073 AromaticContact CE2-CZ 3.68Å; F1035-F1073 HydrophobicContact CE2-CZ 3.68Å; F1035-F1073 HydrophobicContact CZ-CE1 4.45Å; F1035-F1073 AromaticContact CZ-CE2 3.73Å; F1035-F1073 HydrophobicContact CZ-CE2 3.73Å; F1035-F1073 AromaticContact CZ-CZ 3.62Å; F1035-F1073 HydrophobicContact CZ-CZ 3.62Å; L1043-F1073 HydrophobicContact CD1-CD2 4.14Å; L1043-F1073 HydrophobicContact CD1-CE2 4.26Å; L1069-F1073 HydrophobicContact CD2-CD2 4.3Å; L1069-F1073 PolarHBondContact O-N 3.01Å; L1069-F1073 VanDerWaalsContact O-N 3.09Å; A1070-F1073 VanDerWaalsContact O-CB 3.3Å; A1070-F1073 WeakPolarHBondContact O-CB 3.35Å; A1070-F1073 PolarHBondContact O-N 2.65Å; F1073-R1075 PolarHBondContact O-N 2.76Å; F1073-L1076 PolarHBondContact O-N 2.94Å
1074L69.3Low75.7Confident156 Ų15666.6 Ų66.682%0.81736%0.359SS*.THydrogen-bonded Turntrans-69.96.2178.4-66.3168000115A1070 I1072A1070-L1074 WeakPolarHBondContact O-CG 3.38Å; A1070-L1074 PolarHBondContact O-N 3.29Å; A1070-L1074 VanDerWaalsContact O-N 3.12Å; I1072-L1074 VanDerWaalsContact C-N 3.33Å; I1072-L1074 PolarHBondContact O-N 2.95Å
1075R68.1Low74.8Confident198 Ų19871.4 Ų71.475%0.74739%0.385SS*.THydrogen-bonded Turntrans-129.40.9-179.4-66.5178.5-171-176.32.5113.7G1071 I1072 F1073G1071-R1075 VanDerWaalsContact O-CD 3.22Å; G1071-R1075 WeakPolarHBondContact O-CD 3.34Å; G1071-R1075 VanDerWaalsContact O-CG 3.24Å; G1071-R1075 WeakPolarHBondContact O-CG 3.31Å; G1071-R1075 PolarHBondContact O-NE 3.35Å; I1072-R1075 PolarHBondContact O-N 3.26Å; F1073-R1075 PolarHBondContact O-N 2.76Å
1076L65Low73.8Confident21 Ų2170.4 Ų70.411%0.1138%0.38CS..  trans-89.2123.9174.3-73.4165.2000108.9Q1042 L1043 I1072 F1073Q1042-L1076 HydrophobicContact CB-CD2 3.92Å; L1043-L1076 HydrophobicContact CB-CD1 3.88Å; L1043-L1076 HydrophobicContact CD1-CD1 4.09Å; L1043-L1076 HydrophobicContact CG-CD1 4.21Å; I1072-L1076 HydrophobicContact CG2-CD1 4.08Å; I1072-L1076 HydrophobicContact CG2-CG 4.4Å; I1072-L1076 PolarHBondContact O-N 2.61Å; F1073-L1076 PolarHBondContact O-N 2.94Å
1077P52Low72.6Confident144 Ų14474.8 Ų74.894%0.93541%0.407SS*.  trans-67.3017031.9-34.9000110.8R1039R1039-P1077 PolarHBondContact NE-O 3.11Å; R1039-P1077 PolarHBondContact NH2-O 2.97Å; R1039-P1077 PolarHBondContact NH2-OXT 3.39Å

Retrieved 1,077 of 1,077 residues in 673.6 ms (Link to these results)

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