A0A087XRV4_POEFO Loading...

Ribosome quality control complex subunit NEMF

AlphaFold DB , UniProt , Accession A0A087XRV4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,045 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M66.9Low82.5Confident117 Ų11738.8 Ų38.858%0.57619%0.186SC*.  01090-76-178.6-178.700109.2T3 T270 D272M1-T3 PolarHBondContact O-N 2.93Å; M1-T270 HydrophobicContact CE-CG2 3.4Å; M1-T270 VanDerWaalsContact CE-CG2 3.4Å; M1-D272 CarbonylContact C-O 3.52Å; M1-D272 WeakPolarHBondContact CA-O 3.39Å; M1-D272 WeakPolarHBondContact CA-OD1 3.39Å; M1-D272 VanDerWaalsContact CG-OD1 3.31Å; M1-D272 WeakPolarHBondContact CG-OD1 3.28Å; M1-D272 PolarHBondContact N-OD1 2.86Å
2K78.4Confident82.9Confident20 Ų2035.6 Ų35.69%0.08717%0.171CC..  trans-69.8115.5176.8-174.2177.1176.2-179.70109.2D9 D272 E273 F274 H275 F300K2-D9 WeakPolarHBondContact CE-OD2 3.41Å; K2-D9 IonicContact NZ-OD1 3.19Å; K2-D9 PolarHBondContact NZ-OD1 2.84Å; K2-D9 IonicContact NZ-OD2 3.99Å; K2-D9 PolarHBondContact NZ-OD2 3.43Å; K2-D272 PolarHBondContact N-O 3.38Å; K2-E273 HydrophobicContact CB-CB 4.08Å; K2-E273 HydrophobicContact CB-CG 3.99Å; K2-F274 HydrophobicContact CB-CD1 4.29Å; K2-F274 HydrophobicContact CB-CE1 4.08Å; K2-F274 HydrophobicContact CD-CD1 4.02Å; K2-F274 HydrophobicContact CD-CE1 3.83Å; K2-F274 HydrophobicContact CD-CE2 4.33Å; K2-F274 HydrophobicContact CD-CG 4.36Å; K2-F274 HydrophobicContact CD-CZ 3.98Å; K2-F274 WeakPolarHBondContact CD-O 3.49Å; K2-F274 HydrophobicContact CG-CD1 4.24Å; K2-F274 HydrophobicContact CG-CE1 3.72Å; K2-F274 HydrophobicContact CG-CZ 4.08Å; K2-F274 PolarHBondContact NZ-O 3.03Å; K2-H275 PolarHBondContact NZ-CD2 3.49Å; K2-H275 PolarHBondContact NZ-NE2 2.98Å; K2-H275 VanDerWaalsContact NZ-NE2 3.12Å; K2-F300 VanDerWaalsContact O-CE1 3.31Å; K2-F300 WeakPolarHBondContact O-CE1 2.9Å; K2-F300 WeakPolarHBondContact O-CZ 3.33Å
3T77.6Confident83.3Confident74 Ų7432.8 Ų32.845%0.45416%0.158SC..  trans-108.1-19.1-175.647.60000114.2M1 T56M1-T3 PolarHBondContact O-N 2.93Å; T3-T56 WeakPolarHBondContact O-CG2 3.43Å
4R83.9Confident83.8Confident107 Ų10731.5 Ų31.540%0.40415%0.151SC..SBendtrans-126.6153.5-176.5-55.1-175.8-170.2-154.70.9110.6D118R4-D118 PolarHBondContact NH1-O 3.05Å; R4-D118 PolarHBondContact NH2-O 3.03Å
5F86.3Confident84Confident3 Ų330.4 Ų30.41%0.01315%0.15CC..  trans-70141.1172.2-81.334.1000112.1D9 I10 V13 T56 R57 F58 F274 V297 F301F5-D9 HydrophobicContact CB-CB 4.23Å; F5-D9 HydrophobicContact CD2-CB 3.99Å; F5-D9 HydrophobicContact CG-CB 4.08Å; F5-I10 HydrophobicContact CB-CD1 4.36Å; F5-I10 HydrophobicContact CB-CG1 3.94Å; F5-I10 HydrophobicContact CD2-CG1 3.85Å; F5-I10 HydrophobicContact CG-CG1 4.43Å; F5-V13 HydrophobicContact CE2-CB 4.43Å; F5-V13 HydrophobicContact CE2-CG2 3.96Å; F5-V13 HydrophobicContact CZ-CG2 4.39Å; F5-T56 PolarHBondContact N-O 3.33Å; F5-R57 HydrophobicContact CD1-CB 3.64Å; F5-R57 HydrophobicContact CE1-CB 3.33Å; F5-R57 HydrophobicContact CG-CB 4.48Å; F5-R57 HydrophobicContact CZ-CB 3.94Å; F5-F58 WeakPolarHBondContact CE2-O 3.39Å; F5-F58 WeakPolarHBondContact CZ-O 3.36Å; F5-F274 HydrophobicContact CD1-CE2 4.17Å; F5-F274 AromaticContact CD1-CZ 3.97Å; F5-F274 HydrophobicContact CD1-CZ 3.97Å; F5-F274 HydrophobicContact CE1-CE2 4.1Å; F5-F274 HydrophobicContact CE1-CZ 4.09Å; F5-V297 HydrophobicContact CE1-CG1 3.87Å; F5-V297 HydrophobicContact CZ-CG1 3.78Å; F5-F301 HydrophobicContact CE1-CE2 4.04Å
6T85.4Confident84.2Confident31 Ų3129.1 Ų29.119%0.1914%0.143CC..  trans-89.9170.6163.767.90000110.6V8 D9 I10T6-V8 PolarHBondContact O-N 3.07Å; T6-V8 PolarHBondContact OG1-N 3.16Å; T6-D9 WeakPolarHBondContact CB-OD2 3.46Å; T6-D9 WeakPolarHBondContact CG2-OD2 3.33Å; T6-D9 PolarHBondContact N-OD2 3.36Å; T6-D9 PolarHBondContact O-N 3.29Å; T6-D9 PolarHBondContact OG1-N 3.17Å; T6-D9 PolarHBondContact OG1-OD2 2.7Å; T6-I10 WeakPolarHBondContact O-CG1 3.38Å; T6-I10 PolarHBondContact O-N 2.81Å; T6-I10 VanDerWaalsContact O-N 3.09Å
7T84Confident84.4Confident14 Ų1427.4 Ų27.49%0.08613%0.134CC..Hα-helixtrans-53.3-41.9173-36.70000112.2I10 R11 I95 P192 M237T7-I10 PolarHBondContact O-N 3.03Å; T7-R11 PolarHBondContact O-N 3.09Å; T7-R11 VanDerWaalsContact O-N 3.1Å; T7-I95 HydrophobicContact CG2-CG2 4.1Å; T7-I95 WeakPolarHBondContact CG2-O 3.45Å; T7-P192 WeakPolarHBondContact CB-O 3.3Å; T7-P192 PolarHBondContact OG1-O 3.35Å; T7-M237 HydrophobicContact CG2-CE 4.17Å
8V83.4Confident84.6Confident2 Ų228.2 Ų28.21%0.01214%0.139CC..Hα-helixtrans-65.1-45.2-179.8-167.70000111T6 I10 R11 A12 L197 M237 T240T6-V8 PolarHBondContact O-N 3.07Å; T6-V8 PolarHBondContact OG1-N 3.16Å; V8-I10 VanDerWaalsContact C-N 3.31Å; V8-I10 PolarHBondContact O-N 2.86Å; V8-R11 PolarHBondContact O-N 3.18Å; V8-A12 PolarHBondContact O-N 2.97Å; V8-A12 VanDerWaalsContact O-N 3.17Å; V8-L197 HydrophobicContact CG2-CB 4.34Å; V8-L197 HydrophobicContact CG2-CD2 3.79Å; V8-M237 HydrophobicContact CG2-SD 4Å; V8-T240 HydrophobicContact CG1-CG2 3.82Å
9D87.3Confident84.6Confident0 Ų031.2 Ų31.20%017%0.169CC..Hα-helixtrans-63.5-38.1177.8-51.3-56.8000111.3K2 F5 T6 V13 F293K2-D9 WeakPolarHBondContact CE-OD2 3.41Å; K2-D9 IonicContact NZ-OD1 3.19Å; K2-D9 PolarHBondContact NZ-OD1 2.84Å; K2-D9 IonicContact NZ-OD2 3.99Å; K2-D9 PolarHBondContact NZ-OD2 3.43Å; F5-D9 HydrophobicContact CB-CB 4.23Å; F5-D9 HydrophobicContact CD2-CB 3.99Å; F5-D9 HydrophobicContact CG-CB 4.08Å; T6-D9 WeakPolarHBondContact CB-OD2 3.46Å; T6-D9 WeakPolarHBondContact CG2-OD2 3.33Å; T6-D9 PolarHBondContact N-OD2 3.36Å; T6-D9 PolarHBondContact O-N 3.29Å; T6-D9 PolarHBondContact OG1-N 3.17Å; T6-D9 PolarHBondContact OG1-OD2 2.7Å; D9-V13 WeakPolarHBondContact O-CG2 3.08Å; D9-V13 PolarHBondContact O-N 3.05Å; D9-V13 VanDerWaalsContact O-N 3.17Å; D9-F293 HydrophobicContact CB-CE1 3.98Å; D9-F293 HydrophobicContact CB-CZ 4Å
10I87.9Confident84.6Confident2 Ų234.8 Ų34.81%0.0119%0.188CC..Hα-helixtrans-65.4-46.5178.4-68.7166000110.9F5 T6 T7 V8 V13 I14 R97 V99 L116F5-I10 HydrophobicContact CB-CD1 4.36Å; F5-I10 HydrophobicContact CB-CG1 3.94Å; F5-I10 HydrophobicContact CD2-CG1 3.85Å; F5-I10 HydrophobicContact CG-CG1 4.43Å; T6-I10 WeakPolarHBondContact O-CG1 3.38Å; T6-I10 PolarHBondContact O-N 2.81Å; T6-I10 VanDerWaalsContact O-N 3.09Å; T7-I10 PolarHBondContact O-N 3.03Å; V8-I10 VanDerWaalsContact C-N 3.31Å; V8-I10 PolarHBondContact O-N 2.86Å; I10-V13 PolarHBondContact O-N 2.94Å; I10-I14 HydrophobicContact CG2-CD1 3.56Å; I10-I14 HydrophobicContact CG2-CG1 4.27Å; I10-I14 WeakPolarHBondContact O-CB 3.28Å; I10-I14 VanDerWaalsContact O-CG1 3.26Å; I10-I14 WeakPolarHBondContact O-CG1 3.24Å; I10-I14 PolarHBondContact O-N 2.82Å; I10-R97 HydrophobicContact CD1-CB 3.71Å; I10-R97 HydrophobicContact CD1-CG 3.73Å; I10-V99 HydrophobicContact CG2-CG2 3.86Å; I10-L116 HydrophobicContact CD1-CB 4.46Å; I10-L116 HydrophobicContact CD1-CD1 3.77Å; I10-L116 HydrophobicContact CG1-CD1 3.93Å
11R86.5Confident84.6Confident57 Ų5735.1 Ų35.122%0.21519%0.187CC..Hα-helixtrans-60.8-47.9179.1-75.2-172.9169.8-157.4-3.2112.1T7 V8 V13 I14 A15 Q92 T240T7-R11 PolarHBondContact O-N 3.09Å; T7-R11 VanDerWaalsContact O-N 3.1Å; V8-R11 PolarHBondContact O-N 3.18Å; R11-V13 PolarHBondContact O-N 3.13Å; R11-I14 PolarHBondContact O-N 3.37Å; R11-A15 PolarHBondContact O-N 2.81Å; R11-Q92 VanDerWaalsContact NE-OE1 3.1Å; R11-T240 WeakPolarHBondContact CB-OG1 3.23Å
12A86.9Confident85.6Confident0 Ų033.7 Ų33.70%018%0.181CC..Hα-helixtrans-57.6-47178.100000112.5V8 A15 E16 F243 P276 F293V8-A12 PolarHBondContact O-N 2.97Å; V8-A12 VanDerWaalsContact O-N 3.17Å; A12-A15 PolarHBondContact O-N 2.85Å; A12-E16 PolarHBondContact O-N 2.89Å; A12-E16 VanDerWaalsContact O-N 3.09Å; A12-F243 HydrophobicContact CB-CB 4.4Å; A12-F243 HydrophobicContact CB-CD1 4Å; A12-F243 HydrophobicContact CB-CD2 4.49Å; A12-F243 HydrophobicContact CB-CE1 4.4Å; A12-F243 HydrophobicContact CB-CG 4.05Å; A12-P276 HydrophobicContact CB-CB 3.97Å; A12-P276 HydrophobicContact CB-CG 3.79Å; A12-F293 HydrophobicContact CB-CD1 3.86Å; A12-F293 HydrophobicContact CB-CE1 4.25Å
13V88.6Confident86Confident0 Ų034.4 Ų34.40%019%0.194CC..Hα-helixtrans-70-34.9178.6176.20000112.5F5 D9 I10 R11 A15 E16 I17 F58 F293F5-V13 HydrophobicContact CE2-CB 4.43Å; F5-V13 HydrophobicContact CE2-CG2 3.96Å; F5-V13 HydrophobicContact CZ-CG2 4.39Å; D9-V13 WeakPolarHBondContact O-CG2 3.08Å; D9-V13 PolarHBondContact O-N 3.05Å; D9-V13 VanDerWaalsContact O-N 3.17Å; I10-V13 PolarHBondContact O-N 2.94Å; R11-V13 PolarHBondContact O-N 3.13Å; V13-A15 VanDerWaalsContact C-N 3.33Å; V13-A15 PolarHBondContact O-N 3.36Å; V13-E16 PolarHBondContact O-N 3.37Å; V13-I17 HydrophobicContact CG1-CD1 3.52Å; V13-I17 HydrophobicContact CG1-CG1 4.04Å; V13-I17 VanDerWaalsContact O-CB 3.27Å; V13-I17 WeakPolarHBondContact O-CB 3.48Å; V13-I17 VanDerWaalsContact O-CG1 3.29Å; V13-I17 WeakPolarHBondContact O-CG1 3.22Å; V13-I17 PolarHBondContact O-N 2.86Å; V13-F58 HydrophobicContact CG1-CD1 4.42Å; V13-F58 WeakPolarHBondContact CG1-O 3.49Å; V13-F293 HydrophobicContact CG2-CD1 3.52Å; V13-F293 HydrophobicContact CG2-CE1 3.65Å
14I89.5Confident86.6Confident14 Ų1431.2 Ų31.27%0.07217%0.174CC..Hα-helixtrans-63.9-40.1174.7-71.5174000110.9I10 R11 I17 N18 V90 Q92 V99I10-I14 HydrophobicContact CG2-CD1 3.56Å; I10-I14 HydrophobicContact CG2-CG1 4.27Å; I10-I14 WeakPolarHBondContact O-CB 3.28Å; I10-I14 VanDerWaalsContact O-CG1 3.26Å; I10-I14 WeakPolarHBondContact O-CG1 3.24Å; I10-I14 PolarHBondContact O-N 2.82Å; R11-I14 PolarHBondContact O-N 3.37Å; I14-I17 PolarHBondContact O-N 2.82Å; I14-N18 WeakPolarHBondContact CG2-ND2 3.15Å; I14-N18 VanDerWaalsContact O-CB 3.32Å; I14-N18 WeakPolarHBondContact O-CB 3.47Å; I14-N18 PolarHBondContact O-N 2.85Å; I14-N18 PolarHBondContact O-ND2 3.26Å; I14-V90 HydrophobicContact CD1-CG1 4.39Å; I14-V90 HydrophobicContact CG1-CG1 3.95Å; I14-V90 HydrophobicContact CG2-CB 4.35Å; I14-V90 HydrophobicContact CG2-CG1 4.13Å; I14-Q92 HydrophobicContact CD1-CB 4.14Å; I14-V99 HydrophobicContact CD1-CG1 3.85Å; I14-V99 HydrophobicContact CD1-CG2 4.09Å; I14-V99 HydrophobicContact CG1-CG1 4.25Å
15A87.2Confident87Confident15 Ų1532.5 Ų32.512%0.12418%0.179CC..Hα-helixtrans-62.1-50.3174.700000111.7R11 A12 V13 I17 N18 A19 F243R11-A15 PolarHBondContact O-N 2.81Å; A12-A15 PolarHBondContact O-N 2.85Å; V13-A15 VanDerWaalsContact C-N 3.33Å; V13-A15 PolarHBondContact O-N 3.36Å; A15-I17 VanDerWaalsContact C-N 3.35Å; A15-I17 PolarHBondContact O-N 2.94Å; A15-N18 PolarHBondContact O-N 3.28Å; A15-A19 WeakPolarHBondContact O-CB 3.25Å; A15-A19 PolarHBondContact O-N 3.41Å; A15-F243 HydrophobicContact CB-CB 4.05Å
16E86.7Confident87.2Confident9 Ų932.4 Ų32.44%0.04218%0.178CC..Hα-helixtrans-61.4-39.2177.1-70.1-173.5144.300112.6A12 V13 N20 F243 T292 F293 D294A12-E16 PolarHBondContact O-N 2.89Å; A12-E16 VanDerWaalsContact O-N 3.09Å; V13-E16 PolarHBondContact O-N 3.37Å; E16-N20 WeakPolarHBondContact O-CB 3.46Å; E16-N20 PolarHBondContact O-N 2.95Å; E16-N20 VanDerWaalsContact O-N 3.1Å; E16-N20 PolarHBondContact O-ND2 3.38Å; E16-F243 HydrophobicContact CG-CD1 4.06Å; E16-T292 WeakPolarHBondContact OE1-CA 3.46Å; E16-T292 WeakPolarHBondContact OE1-CB 3.47Å; E16-F293 PolarHBondContact OE1-N 3.39Å; E16-F293 WeakPolarHBondContact OE2-CB 3.47Å; E16-F293 PolarHBondContact OE2-N 2.97Å; E16-D294 WeakPolarHBondContact OE2-CB 3.46Å; E16-D294 PolarHBondContact OE2-N 3.08Å
17I87.8Confident87.6Confident0 Ų033.7 Ų33.70%018%0.184CC..Hα-helixtrans-69.7-40.6178.5-76.4177.3000111.8V13 I14 A15 N20 Y21 L50 F58 V90V13-I17 HydrophobicContact CG1-CD1 3.52Å; V13-I17 HydrophobicContact CG1-CG1 4.04Å; V13-I17 VanDerWaalsContact O-CB 3.27Å; V13-I17 WeakPolarHBondContact O-CB 3.48Å; V13-I17 VanDerWaalsContact O-CG1 3.29Å; V13-I17 WeakPolarHBondContact O-CG1 3.22Å; V13-I17 PolarHBondContact O-N 2.86Å; I14-I17 PolarHBondContact O-N 2.82Å; A15-I17 VanDerWaalsContact C-N 3.35Å; A15-I17 PolarHBondContact O-N 2.94Å; I17-N20 PolarHBondContact O-N 2.91Å; I17-Y21 HydrophobicContact CB-CD2 4.1Å; I17-Y21 HydrophobicContact CG1-CD2 3.91Å; I17-Y21 HydrophobicContact CG1-CE2 4.01Å; I17-Y21 HydrophobicContact CG2-CD2 4.1Å; I17-Y21 WeakPolarHBondContact O-CB 3.48Å; I17-Y21 PolarHBondContact O-N 3.24Å; I17-L50 HydrophobicContact CD1-CD2 3.95Å; I17-L50 HydrophobicContact CG1-CD2 4.27Å; I17-F58 HydrophobicContact CD1-CD1 4.01Å; I17-F58 HydrophobicContact CD1-CE1 3.41Å; I17-F58 VanDerWaalsContact CD1-CE1 3.41Å; I17-F58 HydrophobicContact CD1-CE2 4.25Å; I17-F58 HydrophobicContact CD1-CZ 3.55Å; I17-V90 HydrophobicContact CG2-CB 4.48Å; I17-V90 HydrophobicContact CG2-CG2 3.79Å
18N88.2Confident87.9Confident42 Ų4234.2 Ų34.223%0.22519%0.187CC..Hα-helixtrans-64.9-42.6175.9-80.2-31.8000111.2I14 A15 N20 I22 V90I14-N18 WeakPolarHBondContact CG2-ND2 3.15Å; I14-N18 VanDerWaalsContact O-CB 3.32Å; I14-N18 WeakPolarHBondContact O-CB 3.47Å; I14-N18 PolarHBondContact O-N 2.85Å; I14-N18 PolarHBondContact O-ND2 3.26Å; A15-N18 PolarHBondContact O-N 3.28Å; N18-N20 PolarHBondContact O-N 3.45Å; N18-I22 HydrophobicContact CB-CD1 3.91Å; N18-I22 VanDerWaalsContact O-CD1 3.27Å; N18-I22 WeakPolarHBondContact O-CD1 3.14Å; N18-I22 VanDerWaalsContact O-CG1 3.28Å; N18-I22 WeakPolarHBondContact O-CG1 3.49Å; N18-V90 PolarHBondContact ND2-O 3.44Å; N18-V90 WeakPolarHBondContact OD1-CB 3.42Å; N18-V90 PolarHBondContact OD1-N 3.14Å; N18-V90 PolarHBondContact OD1-O 2.82Å
19A85.6Confident88.3Confident85 Ų8534.3 Ų34.370%0.70219%0.187SC*.Hα-helixtrans-62.6-40.5177.200000113.1A15A15-A19 WeakPolarHBondContact O-CB 3.25Å; A15-A19 PolarHBondContact O-N 3.41Å
20N83.9Confident88.5Confident103 Ų10336.6 Ų36.655%0.55120%0.196SC*.Hα-helixtrans-96.7-28.1-169.7-71.4-67.3000115.7E16 I17 N18E16-N20 WeakPolarHBondContact O-CB 3.46Å; E16-N20 PolarHBondContact O-N 2.95Å; E16-N20 VanDerWaalsContact O-N 3.1Å; E16-N20 PolarHBondContact O-ND2 3.38Å; I17-N20 PolarHBondContact O-N 2.91Å; N18-N20 PolarHBondContact O-N 3.45Å
21Y85.3Confident88.5Confident42 Ų4236.7 Ų36.717%0.16520%0.197CC..Hα-helixtrans-123.9-1.9-162.9-51.8-51.4000116.1I17 M24 A48 L50 S60I17-Y21 HydrophobicContact CB-CD2 4.1Å; I17-Y21 HydrophobicContact CG1-CD2 3.91Å; I17-Y21 HydrophobicContact CG1-CE2 4.01Å; I17-Y21 HydrophobicContact CG2-CD2 4.1Å; I17-Y21 WeakPolarHBondContact O-CB 3.48Å; I17-Y21 PolarHBondContact O-N 3.24Å; Y21-M24 HydrophobicContact CD1-SD 3.76Å; Y21-M24 HydrophobicContact CG-SD 4.37Å; Y21-M24 WeakPolarHBondContact O-CB 3.41Å; Y21-M24 VanDerWaalsContact O-CG 3.32Å; Y21-M24 WeakPolarHBondContact O-CG 3.35Å; Y21-M24 PolarHBondContact O-N 3.33Å; Y21-A48 HydrophobicContact CD1-CB 3.64Å; Y21-A48 HydrophobicContact CE1-CB 3.49Å; Y21-A48 VanDerWaalsContact CE1-CB 3.49Å; Y21-A48 HydrophobicContact CG-CB 4.46Å; Y21-L50 HydrophobicContact CD2-CD2 3.94Å; Y21-L50 HydrophobicContact CE2-CD2 4.1Å; Y21-S60 VanDerWaalsContact OH-CB 3.23Å; Y21-S60 WeakPolarHBondContact OH-CB 3.39Å; Y21-S60 PolarHBondContact OH-OG 3.22Å
22I87.8Confident88.5Confident88 Ų8835.9 Ų35.945%0.45120%0.196SC..THydrogen-bonded Turntrans-58.3143.1174.2-74.2176.6000111.2N18 M24N18-I22 HydrophobicContact CB-CD1 3.91Å; N18-I22 VanDerWaalsContact O-CD1 3.27Å; N18-I22 WeakPolarHBondContact O-CD1 3.14Å; N18-I22 VanDerWaalsContact O-CG1 3.28Å; N18-I22 WeakPolarHBondContact O-CG1 3.49Å; I22-M24 PolarHBondContact O-N 3.47Å
23G86.1Confident88.3Confident35 Ų3539.6 Ų39.636%0.36122%0.216SC..THydrogen-bonded Turntrans79-11.4178.900000115.5L87G23-L87 WeakPolarHBondContact CA-O 3.43Å; G23-L87 PolarHBondContact N-O 2.95Å
24M90.3Very high88Confident6 Ų645.4 Ų45.43%0.0325%0.247CC..  trans-65.7146.6173.5-61-171.984.800111.3Y21 I22 L41 K43 S46 A48 R86 L87Y21-M24 HydrophobicContact CD1-SD 3.76Å; Y21-M24 HydrophobicContact CG-SD 4.37Å; Y21-M24 WeakPolarHBondContact O-CB 3.41Å; Y21-M24 VanDerWaalsContact O-CG 3.32Å; Y21-M24 WeakPolarHBondContact O-CG 3.35Å; Y21-M24 PolarHBondContact O-N 3.33Å; I22-M24 PolarHBondContact O-N 3.47Å; M24-L41 HydrophobicContact CB-CB 3.92Å; M24-L41 HydrophobicContact CB-CD1 4.41Å; M24-L41 HydrophobicContact CE-CB 4.16Å; M24-L41 HydrophobicContact SD-CB 3.98Å; M24-L41 HydrophobicContact SD-CD1 4.45Å; M24-K43 HydrophobicContact CE-CB 4.1Å; M24-K43 HydrophobicContact CG-CB 4.39Å; M24-S46 WeakPolarHBondContact CE-O 3.22Å; M24-S46 WeakPolarHBondContact CE-OG 3.36Å; M24-A48 HydrophobicContact CE-CB 4.12Å; M24-A48 HydrophobicContact SD-CB 4.07Å; M24-R86 CarbonylContact O-C 3.57Å; M24-R86 WeakPolarHBondContact O-CA 3.14Å; M24-L87 PolarHBondContact O-N 3.05Å
25R91.8Very high87.8Confident134 Ų13449.3 Ų49.351%0.50626%0.264SS..EExtended strand (participates in β ladder)trans-94.9141178.9-64.8-174-173.1-140.17.8112.2N27 L41 Q42 R85 R86R25-N27 PolarHBondContact O-N 3.5Å; R25-N27 VanDerWaalsContact O-N 3.16Å; R25-L41 CarbonylContact O-C 3.57Å; R25-L41 WeakPolarHBondContact O-CA 3.48Å; R25-Q42 PolarHBondContact N-O 3.3Å; R25-Q42 PolarHBondContact O-N 2.82Å; R25-R85 CarbonylContact C-O 3.54Å; R25-R85 VanDerWaalsContact CA-O 3.3Å; R25-R85 WeakPolarHBondContact CA-O 3.42Å; R25-R86 HydrophobicContact CG-CG 3.78Å
26V92.1Very high87.9Confident1 Ų149.2 Ų49.21%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-69.1109.3172.6-179.70000109.7V29 I39 L41 L82 G84 R85 F103V26-V29 HydrophobicContact CG1-CG2 4.2Å; V26-I39 HydrophobicContact CG1-CG2 4.01Å; V26-I39 HydrophobicContact CG2-CG2 4.13Å; V26-L41 HydrophobicContact CG2-CD2 3.85Å; V26-L82 WeakPolarHBondContact CB-O 3.38Å; V26-L82 HydrophobicContact CG1-CB 4.44Å; V26-G84 PolarHBondContact O-N 3.13Å; V26-R85 PolarHBondContact N-O 3.21Å; V26-F103 HydrophobicContact CG2-CD1 3.51Å; V26-F103 HydrophobicContact CG2-CE1 3.4Å; V26-F103 HydrophobicContact CG2-CZ 4.32Å
27N91.8Very high88.1Confident59 Ų5949.2 Ų49.232%0.31626%0.261SS..EExtended strand (participates in β ladder)trans-76.5-51.8174.5176.1-29.6000110.3R25 R40 Q42 K83R25-N27 PolarHBondContact O-N 3.5Å; R25-N27 VanDerWaalsContact O-N 3.16Å; N27-R40 HydrophobicContact CB-CG 4.25Å; N27-R40 PolarHBondContact N-O 3.25Å; N27-Q42 HydrophobicContact CB-CB 4.19Å; N27-Q42 PolarHBondContact ND2-OE1 3.24Å; N27-K83 VanDerWaalsContact O-CE 3.28Å; N27-K83 WeakPolarHBondContact O-CE 3.38Å; N27-K83 WeakPolarHBondContact O-CG 3.42Å
28N90.9Very high88.4Confident25 Ų2549.4 Ų49.413%0.13426%0.262CS..EExtended strand (participates in β ladder)trans-161156.3-179.9-161.418.4000111.8Y30 R40 R79N28-Y30 HydrophobicContact CB-CE2 3.86Å; N28-Y30 WeakPolarHBondContact ND2-CE1 3.3Å; N28-Y30 PolarHBondContact ND2-OH 2.83Å; N28-R40 WeakPolarHBondContact O-CB 3.48Å; N28-R40 PolarHBondContact O-N 3.26Å; N28-R79 WeakPolarHBondContact OD1-CG 3.42Å; N28-R79 PolarHBondContact OD1-NE 3.21Å; N28-R79 VanDerWaalsContact OD1-NE 3.14Å
29V91.7Very high88.6Confident4 Ų447.6 Ų47.62%0.02425%0.252CS..EExtended strand (participates in β ladder)trans-110141.8172.5-176.70000109V26 L38 I39 C78 R79V26-V29 HydrophobicContact CG1-CG2 4.2Å; V29-L38 CarbonylContact C-O 3.54Å; V29-L38 WeakPolarHBondContact CA-O 3.5Å; V29-I39 HydrophobicContact CG1-CG1 4.36Å; V29-I39 HydrophobicContact CG2-CG1 4.28Å; V29-I39 HydrophobicContact CG2-CG2 4.48Å; V29-C78 HydrophobicContact CG1-CB 4.3Å; V29-C78 HydrophobicContact CG2-CB 4.28Å; V29-R79 HydrophobicContact CB-CG 4.21Å; V29-R79 PolarHBondContact O-NE 3.35Å; V29-R79 PolarHBondContact O-NH2 3.47Å
30Y91.1Very high88.9Confident47 Ų4747.4 Ų47.418%0.18423%0.233CC..EExtended strand (participates in β ladder)trans-130.6158.5175.6-55.7-96.4000110.7N28 Y37 L38 R40 K67N28-Y30 HydrophobicContact CB-CE2 3.86Å; N28-Y30 WeakPolarHBondContact ND2-CE1 3.3Å; N28-Y30 PolarHBondContact ND2-OH 2.83Å; Y30-Y37 CarbonylContact O-C 3.59Å; Y30-Y37 WeakPolarHBondContact O-CA 3.23Å; Y30-L38 PolarHBondContact N-O 3.07Å; Y30-L38 PolarHBondContact O-N 3.13Å; Y30-R40 HydrophobicContact CE2-CB 4.39Å; Y30-K67 HydrophobicContact CD1-CD 4.17Å; Y30-K67 HydrophobicContact CD1-CG 4.37Å; Y30-K67 HydrophobicContact CE1-CD 4.4Å; Y30-K67 HydrophobicContact CG-CD 4.44Å; Y30-K67 HydrophobicContact CG-CG 4.46Å
31D89.9Confident89.2Confident4 Ų442.5 Ų42.52%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-114.4141.8173.249.9-51.8000110.1Y37 N68 P71 S72 A75D31-Y37 HydrophobicContact CB-CD1 4.07Å; D31-Y37 HydrophobicContact CB-CE1 3.96Å; D31-N68 WeakPolarHBondContact O-CB 3.46Å; D31-N68 PolarHBondContact O-N 3.14Å; D31-N68 PolarHBondContact OD2-ND2 3.43Å; D31-P71 VanDerWaalsContact OD1-CA 3.29Å; D31-P71 WeakPolarHBondContact OD1-CA 3.1Å; D31-S72 PolarHBondContact OD2-N 3.03Å; D31-A75 HydrophobicContact CB-CB 4.27Å
32I85.4Confident89.3Confident40 Ų4043.6 Ų43.621%0.20521%0.214CC..EExtended strand (participates in β ladder)trans-106.5-51.4173.9-63.3156.6000109.2T36 L38 W65I32-T36 HydrophobicContact CD1-CG2 3.89Å; I32-T36 PolarHBondContact N-O 3.27Å; I32-L38 HydrophobicContact CD1-CD1 3.89Å; I32-L38 HydrophobicContact CD1-CD2 3.83Å; I32-L38 HydrophobicContact CD1-CG 3.71Å; I32-L38 HydrophobicContact CG1-CD1 4.03Å; I32-L38 HydrophobicContact CG1-CG 4.17Å; I32-W65 HydrophobicContact CD1-CB 3.69Å; I32-W65 HydrophobicContact CD1-CD2 4.11Å; I32-W65 HydrophobicContact CD1-CE3 3.96Å; I32-W65 HydrophobicContact CD1-CG 3.98Å; I32-W65 HydrophobicContact CG1-CB 4.16Å
33D82.1Confident89.2Confident78 Ų7845 Ų4542%0.41722%0.217SC..EExtended strand (participates in β ladder)trans-144.2169.5178.8-169.90.4000107.6K35 T36D33-K35 PolarHBondContact O-N 3.42Å; D33-T36 PolarHBondContact O-N 3.03Å
34N82.3Confident88.5Confident122 Ų12248 Ų4865%0.65223%0.23SC*.THydrogen-bonded Turntrans-61.10.5-177.7-56.2-73.7000114.9
35K86.3Confident87.5Confident97 Ų9752.4 Ų52.442%0.42225%0.253SS..THydrogen-bonded Turntrans-122.1-16.5176.2-60.7-170.5-179.2-174.10114D33 E53 S54D33-K35 PolarHBondContact O-N 3.42Å; K35-E53 WeakPolarHBondContact O-CA 3.17Å; K35-S54 WeakPolarHBondContact O-CB 3.4Å; K35-S54 PolarHBondContact O-N 3.16Å
36T89.3Confident86.7Confident12 Ų1248.6 Ų48.67%0.07425%0.248CC..EExtended strand (participates in β ladder)trans-128.2118.8-160.9-41.80000111.2I32 D33 L51 I52 E53I32-T36 HydrophobicContact CD1-CG2 3.89Å; I32-T36 PolarHBondContact N-O 3.27Å; D33-T36 PolarHBondContact O-N 3.03Å; T36-L51 HydrophobicContact CG2-CD2 3.99Å; T36-L51 HydrophobicContact CG2-CG 4.23Å; T36-I52 WeakPolarHBondContact CA-O 3.46Å; T36-E53 HydrophobicContact CG2-CB 4.23Å; T36-E53 HydrophobicContact CG2-CG 4.48Å
37Y91.6Very high86.4Confident10 Ų1055.6 Ų55.64%0.03928%0.278CS..EExtended strand (participates in β ladder)trans-123.1150.5-172.7-65.2-89.2000110.9Y30 D31 L51 I52 S72 F74 A75 I122 L135Y30-Y37 CarbonylContact O-C 3.59Å; Y30-Y37 WeakPolarHBondContact O-CA 3.23Å; D31-Y37 HydrophobicContact CB-CD1 4.07Å; D31-Y37 HydrophobicContact CB-CE1 3.96Å; Y37-L51 WeakPolarHBondContact O-CA 3.48Å; Y37-I52 PolarHBondContact N-O 3.19Å; Y37-I52 PolarHBondContact O-N 3.21Å; Y37-S72 PolarHBondContact OH-OG 2.9Å; Y37-F74 HydrophobicContact CD1-CD1 4.34Å; Y37-F74 HydrophobicContact CE1-CB 4.43Å; Y37-F74 AromaticContact CE1-CD1 3.76Å; Y37-F74 HydrophobicContact CE1-CD1 3.76Å; Y37-F74 HydrophobicContact CE1-CG 4.47Å; Y37-F74 HydrophobicContact CE2-CD1 4.34Å; Y37-F74 AromaticContact CZ-CD1 3.76Å; Y37-A75 HydrophobicContact CD1-CB 4.36Å; Y37-A75 HydrophobicContact CE1-CB 4.11Å; Y37-I122 HydrophobicContact CD2-CD1 3.6Å; Y37-I122 HydrophobicContact CE2-CD1 4Å; Y37-L135 HydrophobicContact CE2-CD1 4.18Å; Y37-L135 HydrophobicContact CE2-CD2 4.21Å; Y37-L135 WeakPolarHBondContact OH-CD1 3.43Å
38L92.1Very high86.1Confident4 Ų453.2 Ų53.22%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-121.9122.1177.2-58.8171.6000109.7V29 Y30 I32 V49 L50 L51 T61 W65 K67V29-L38 CarbonylContact C-O 3.54Å; V29-L38 WeakPolarHBondContact CA-O 3.5Å; Y30-L38 PolarHBondContact N-O 3.07Å; Y30-L38 PolarHBondContact O-N 3.13Å; I32-L38 HydrophobicContact CD1-CD1 3.89Å; I32-L38 HydrophobicContact CD1-CD2 3.83Å; I32-L38 HydrophobicContact CD1-CG 3.71Å; I32-L38 HydrophobicContact CG1-CD1 4.03Å; I32-L38 HydrophobicContact CG1-CG 4.17Å; L38-V49 HydrophobicContact CB-CG1 3.94Å; L38-V49 HydrophobicContact CD2-CG1 3.97Å; L38-V49 HydrophobicContact CG-CG1 4.4Å; L38-L50 CarbonylContact C-O 3.59Å; L38-L50 WeakPolarHBondContact CA-O 3.43Å; L38-L51 HydrophobicContact CD2-CB 3.91Å; L38-L51 HydrophobicContact CD2-CD1 3.97Å; L38-L51 HydrophobicContact CD2-CG 3.89Å; L38-T61 HydrophobicContact CD2-CG2 4.2Å; L38-W65 HydrophobicContact CD1-CB 4.07Å; L38-W65 HydrophobicContact CD2-CG 4.48Å; L38-K67 HydrophobicContact CD1-CG 4.31Å
39I92.5Very high86.1Confident4 Ų453.6 Ų53.62%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-103.3109172.2-55.7-174.2000108.2V26 V29 L41 V49 L50 I52 F103 L112V26-I39 HydrophobicContact CG1-CG2 4.01Å; V26-I39 HydrophobicContact CG2-CG2 4.13Å; V29-I39 HydrophobicContact CG1-CG1 4.36Å; V29-I39 HydrophobicContact CG2-CG1 4.28Å; V29-I39 HydrophobicContact CG2-CG2 4.48Å; I39-L41 HydrophobicContact CG2-CD2 4.01Å; I39-L41 PolarHBondContact O-N 2.81Å; I39-V49 WeakPolarHBondContact O-CA 3.39Å; I39-L50 HydrophobicContact CB-CB 4.45Å; I39-L50 PolarHBondContact N-O 3.28Å; I39-L50 PolarHBondContact O-N 3.01Å; I39-I52 HydrophobicContact CD1-CD1 3.69Å; I39-I52 HydrophobicContact CG1-CD1 4.22Å; I39-F103 HydrophobicContact CD1-CE2 4.43Å; I39-F103 HydrophobicContact CD1-CZ 4Å; I39-F103 HydrophobicContact CG2-CZ 4.48Å; I39-L112 HydrophobicContact CD1-CD2 3.53Å
40R91.8Very high86.1Confident80 Ų8053.5 Ų53.530%0.30227%0.269SS..EExtended strand (participates in β ladder)trans-80.9111.6174.7179.8176.9-73.9175.1-6.8109.8N27 N28 Y30N27-R40 HydrophobicContact CB-CG 4.25Å; N27-R40 PolarHBondContact N-O 3.25Å; N28-R40 WeakPolarHBondContact O-CB 3.48Å; N28-R40 PolarHBondContact O-N 3.26Å; Y30-R40 HydrophobicContact CE2-CB 4.39Å
41L91.3Very high86.1Confident0 Ų051.2 Ų51.20%026%0.26CS..EExtended strand (participates in β ladder)trans-91.6149.3171.8-60.3-178.7000110.7M24 R25 V26 I39 K47 A48 L50 L87 F103M24-L41 HydrophobicContact CB-CB 3.92Å; M24-L41 HydrophobicContact CB-CD1 4.41Å; M24-L41 HydrophobicContact CE-CB 4.16Å; M24-L41 HydrophobicContact SD-CB 3.98Å; M24-L41 HydrophobicContact SD-CD1 4.45Å; R25-L41 CarbonylContact O-C 3.57Å; R25-L41 WeakPolarHBondContact O-CA 3.48Å; V26-L41 HydrophobicContact CG2-CD2 3.85Å; I39-L41 HydrophobicContact CG2-CD2 4.01Å; I39-L41 PolarHBondContact O-N 2.81Å; L41-K47 WeakPolarHBondContact O-CA 3.37Å; L41-A48 HydrophobicContact CB-CB 4.33Å; L41-A48 PolarHBondContact N-O 3.04Å; L41-A48 PolarHBondContact O-N 2.87Å; L41-L50 HydrophobicContact CD1-CD1 3.82Å; L41-L50 HydrophobicContact CD1-CG 3.96Å; L41-L87 HydrophobicContact CD1-CD2 3.89Å; L41-F103 HydrophobicContact CD2-CE1 4.44Å
42Q88.4Confident86.2Confident66 Ų6651.1 Ų51.131%0.30826%0.26SS..EExtended strand (participates in β ladder)trans-145.8127.2179-178.2169.9-1000111.9R25 N27 K47R25-Q42 PolarHBondContact N-O 3.3Å; R25-Q42 PolarHBondContact O-N 2.82Å; N27-Q42 HydrophobicContact CB-CB 4.19Å; N27-Q42 PolarHBondContact ND2-OE1 3.24Å; Q42-K47 HydrophobicContact CG-CG 4.27Å
43K84.7Confident86.4Confident117 Ų11750.2 Ų50.251%0.50926%0.255SS..  trans-96.9167.4156.5-171.8167.6176.1-176.40107.1M24 D45 S46M24-K43 HydrophobicContact CE-CB 4.1Å; M24-K43 HydrophobicContact CG-CB 4.39Å; K43-D45 PolarHBondContact O-N 3.43Å; K43-D45 VanDerWaalsContact O-N 3.1Å; K43-S46 PolarHBondContact N-O 3.41Å; K43-S46 VanDerWaalsContact O-O 3.12Å
44P72.4Confident86.6Confident98 Ų9846.6 Ų46.664%0.63624%0.235SC*.SBendtrans-52.6-31.9175.7-31.339.4000113.6
45D67.3Low86.7Confident98 Ų9840.9 Ų40.952%0.52421%0.205SC..SBendtrans-111.1-43.2-164.7-28.4-67000111.3K43 R549K43-D45 PolarHBondContact O-N 3.43Å; K43-D45 VanDerWaalsContact O-N 3.1Å; D45-R549 IonicContact OD1-NH2 2.76Å
46S75.7Confident86.7Confident55 Ų5537.6 Ų37.639%0.38519%0.193SC..  trans-104.4151.2177.569.80000113.8M24 K43M24-S46 WeakPolarHBondContact CE-O 3.22Å; M24-S46 WeakPolarHBondContact CE-OG 3.36Å; K43-S46 PolarHBondContact N-O 3.41Å; K43-S46 VanDerWaalsContact O-O 3.12Å
47K85.1Confident86.6Confident147 Ų14737.2 Ų37.264%0.63919%0.19SC*.EExtended strand (participates in β ladder)trans-131.1134174.5-61.4171.5-166.6112.90108L41 Q42L41-K47 WeakPolarHBondContact O-CA 3.37Å; Q42-K47 HydrophobicContact CG-CG 4.27Å
48A86.4Confident86.5Confident10 Ų1036.9 Ų36.98%0.08319%0.189CC..EExtended strand (participates in β ladder)trans-128.6160.617700000109.9Y21 M24 L41Y21-A48 HydrophobicContact CD1-CB 3.64Å; Y21-A48 HydrophobicContact CE1-CB 3.49Å; Y21-A48 VanDerWaalsContact CE1-CB 3.49Å; Y21-A48 HydrophobicContact CG-CB 4.46Å; M24-A48 HydrophobicContact CE-CB 4.12Å; M24-A48 HydrophobicContact SD-CB 4.07Å; L41-A48 HydrophobicContact CB-CB 4.33Å; L41-A48 PolarHBondContact N-O 3.04Å; L41-A48 PolarHBondContact O-N 2.87Å
49V90.9Very high86.5Confident33 Ų3336.7 Ų36.720%0.219%0.188CC..EExtended strand (participates in β ladder)trans-135.7102.9178.3-175.60000108.5L38 I39 S60 T61L38-V49 HydrophobicContact CB-CG1 3.94Å; L38-V49 HydrophobicContact CD2-CG1 3.97Å; L38-V49 HydrophobicContact CG-CG1 4.4Å; I39-V49 WeakPolarHBondContact O-CA 3.39Å; V49-S60 CarbonylContact O-C 3.1Å; V49-S60 WeakPolarHBondContact O-CA 3.48Å; V49-T61 HydrophobicContact CB-CG2 4.24Å; V49-T61 HydrophobicContact CG1-CG2 4.08Å; V49-T61 PolarHBondContact O-N 3.49Å
50L91.3Very high86.3Confident1 Ų136.9 Ų36.91%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-76.5127.2172.6-59.1-176.8000109.4I17 Y21 L38 I39 L41 F58 H59 L87I17-L50 HydrophobicContact CD1-CD2 3.95Å; I17-L50 HydrophobicContact CG1-CD2 4.27Å; Y21-L50 HydrophobicContact CD2-CD2 3.94Å; Y21-L50 HydrophobicContact CE2-CD2 4.1Å; L38-L50 CarbonylContact C-O 3.59Å; L38-L50 WeakPolarHBondContact CA-O 3.43Å; I39-L50 HydrophobicContact CB-CB 4.45Å; I39-L50 PolarHBondContact N-O 3.28Å; I39-L50 PolarHBondContact O-N 3.01Å; L41-L50 HydrophobicContact CD1-CD1 3.82Å; L41-L50 HydrophobicContact CD1-CG 3.96Å; L50-F58 HydrophobicContact CB-CE2 4.49Å; L50-F58 HydrophobicContact CD1-CE2 4.29Å; L50-F58 HydrophobicContact CD1-CZ 4.34Å; L50-H59 CarbonylContact C-O 3.51Å; L50-H59 WeakPolarHBondContact CA-O 3.49Å; L50-L87 HydrophobicContact CD1-CD2 4.5Å
51L92.2Very high86.2Confident0 Ų033.5 Ų33.50%018%0.178CC..EExtended strand (participates in β ladder)trans-101127.7173.5-174.2157.9000109.3T36 Y37 L38 E53 F58 H59 T61 W65T36-L51 HydrophobicContact CG2-CD2 3.99Å; T36-L51 HydrophobicContact CG2-CG 4.23Å; Y37-L51 WeakPolarHBondContact O-CA 3.48Å; L38-L51 HydrophobicContact CD2-CB 3.91Å; L38-L51 HydrophobicContact CD2-CD1 3.97Å; L38-L51 HydrophobicContact CD2-CG 3.89Å; L51-E53 HydrophobicContact CD2-CB 4.43Å; L51-F58 WeakPolarHBondContact O-CA 3.4Å; L51-H59 PolarHBondContact N-O 2.59Å; L51-H59 PolarHBondContact O-N 3.01Å; L51-H59 VanDerWaalsContact O-N 3.15Å; L51-T61 HydrophobicContact CB-CG2 4Å; L51-T61 HydrophobicContact CD1-CG2 4.17Å; L51-W65 HydrophobicContact CD1-CD2 3.81Å; L51-W65 VanDerWaalsContact CD1-CE2 3.41Å; L51-W65 HydrophobicContact CD1-CE3 4.36Å; L51-W65 HydrophobicContact CD1-CG 4.26Å; L51-W65 HydrophobicContact CD1-CH2 4.34Å; L51-W65 HydrophobicContact CD1-CZ2 3.74Å
52I91.8Very high85.8Confident2 Ų236.6 Ų36.61%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-122.1118.3-179.2-45.2-173.8000108.3T36 Y37 I39 F58 I101 L112 V114 I122T36-I52 WeakPolarHBondContact CA-O 3.46Å; Y37-I52 PolarHBondContact N-O 3.19Å; Y37-I52 PolarHBondContact O-N 3.21Å; I39-I52 HydrophobicContact CD1-CD1 3.69Å; I39-I52 HydrophobicContact CG1-CD1 4.22Å; I52-F58 HydrophobicContact CD1-CE2 4.45Å; I52-F58 HydrophobicContact CG1-CD2 4.02Å; I52-F58 HydrophobicContact CG1-CE2 4.23Å; I52-I101 HydrophobicContact CD1-CD1 4.14Å; I52-L112 HydrophobicContact CD1-CD2 3.86Å; I52-V114 HydrophobicContact CD1-CG2 4.42Å; I52-V114 HydrophobicContact CG2-CB 4.35Å; I52-V114 HydrophobicContact CG2-CG1 3.6Å; I52-V114 HydrophobicContact CG2-CG2 3.74Å; I52-I122 HydrophobicContact CG2-CD1 3.89Å
53E89.5Confident85.6Confident21 Ų2134.8 Ų34.810%0.09819%0.186CC..EExtended strand (participates in β ladder)trans-116.8110.6173.8-171.9176.7-173.600110.8K35 T36 L51 G55 T56 R57K35-E53 WeakPolarHBondContact O-CA 3.17Å; T36-E53 HydrophobicContact CG2-CB 4.23Å; T36-E53 HydrophobicContact CG2-CG 4.48Å; L51-E53 HydrophobicContact CD2-CB 4.43Å; E53-G55 PolarHBondContact O-N 2.92Å; E53-G55 VanDerWaalsContact O-N 3.1Å; E53-T56 PolarHBondContact O-N 3.05Å; E53-R57 HydrophobicContact CB-CG 3.64Å; E53-R57 PolarHBondContact N-O 2.97Å; E53-R57 PolarHBondContact O-N 2.98Å; E53-R57 WeakPolarHBondContact OE2-CD 3.37Å; E53-R57 WeakPolarHBondContact OE2-CG 3.4Å; E53-R57 IonicContact OE2-CZ 3.75Å; E53-R57 IonicContact OE2-NE 3.76Å; E53-R57 IonicContact OE2-NH1 2.74Å; E53-R57 PolarHBondContact OE2-NH1 2.81Å
54S87.1Confident85.3Confident2 Ų232.9 Ų32.91%0.01418%0.179CC..THydrogen-bonded Turntrans-46110.5178.5162.60000112.4K35 R119 G120 R136K35-S54 WeakPolarHBondContact O-CB 3.4Å; K35-S54 PolarHBondContact O-N 3.16Å; S54-R119 PolarHBondContact OG-O 2.84Å; S54-G120 PolarHBondContact OG-O 3.37Å; S54-R136 PolarHBondContact OG-NH2 3.01Å
55G82.8Confident85.8Confident2 Ų228.6 Ų28.62%0.02115%0.15CC..THydrogen-bonded Turntrans84.89.8174.300000115.5E53 E115 G120E53-G55 PolarHBondContact O-N 2.92Å; E53-G55 VanDerWaalsContact O-N 3.1Å; G55-E115 PolarHBondContact N-O 2.95Å; G55-G120 VanDerWaalsContact CA-CA 3.47Å
56T86.2Confident86.3Confident27 Ų2726.6 Ų26.617%0.16614%0.142CC..THydrogen-bonded Turntrans-136-60-169.5-51.50000113.5T3 F5 E53 F301T3-T56 WeakPolarHBondContact O-CG2 3.43Å; F5-T56 PolarHBondContact N-O 3.33Å; E53-T56 PolarHBondContact O-N 3.05Å; T56-F301 HydrophobicContact CG2-CE1 4.43Å
57R87.8Confident86.7Confident4 Ų426.8 Ų26.82%0.01514%0.136CC..EExtended strand (participates in β ladder)trans-160157.1-166.957.8-177.4-132.5-129.424.2114F5 E53 H59 F301F5-R57 HydrophobicContact CD1-CB 3.64Å; F5-R57 HydrophobicContact CE1-CB 3.33Å; F5-R57 HydrophobicContact CG-CB 4.48Å; F5-R57 HydrophobicContact CZ-CB 3.94Å; E53-R57 HydrophobicContact CB-CG 3.64Å; E53-R57 PolarHBondContact N-O 2.97Å; E53-R57 PolarHBondContact O-N 2.98Å; E53-R57 WeakPolarHBondContact OE2-CD 3.37Å; E53-R57 WeakPolarHBondContact OE2-CG 3.4Å; E53-R57 IonicContact OE2-CZ 3.75Å; E53-R57 IonicContact OE2-NE 3.76Å; E53-R57 IonicContact OE2-NH1 2.74Å; E53-R57 PolarHBondContact OE2-NH1 2.81Å; R57-H59 PolarHBondContact NE-CE1 2.9Å; R57-H59 PolarHBondContact NE-NE2 2.74Å; R57-H59 PolarHBondContact NH2-NE2 2.61Å; R57-F301 HydrophobicContact CB-CE2 4.48Å; R57-F301 HydrophobicContact CB-CZ 4.44Å; R57-F301 VanDerWaalsContact CD-CD1 3.48Å
58F90.4Very high86.5Confident3 Ų323.5 Ų23.51%0.01313%0.126CC..EExtended strand (participates in β ladder)trans-143.4126.7174.2173.1-122.8000107.7F5 V13 I17 L50 L51 I52 V90 V99 I101 L116F5-F58 WeakPolarHBondContact CE2-O 3.39Å; F5-F58 WeakPolarHBondContact CZ-O 3.36Å; V13-F58 HydrophobicContact CG1-CD1 4.42Å; V13-F58 WeakPolarHBondContact CG1-O 3.49Å; I17-F58 HydrophobicContact CD1-CD1 4.01Å; I17-F58 HydrophobicContact CD1-CE1 3.41Å; I17-F58 VanDerWaalsContact CD1-CE1 3.41Å; I17-F58 HydrophobicContact CD1-CE2 4.25Å; I17-F58 HydrophobicContact CD1-CZ 3.55Å; L50-F58 HydrophobicContact CB-CE2 4.49Å; L50-F58 HydrophobicContact CD1-CE2 4.29Å; L50-F58 HydrophobicContact CD1-CZ 4.34Å; L51-F58 WeakPolarHBondContact O-CA 3.4Å; I52-F58 HydrophobicContact CD1-CE2 4.45Å; I52-F58 HydrophobicContact CG1-CD2 4.02Å; I52-F58 HydrophobicContact CG1-CE2 4.23Å; F58-V90 HydrophobicContact CE1-CG1 4.08Å; F58-V90 HydrophobicContact CZ-CG1 4.41Å; F58-V99 HydrophobicContact CD1-CG1 4.35Å; F58-V99 HydrophobicContact CE1-CG1 4.12Å; F58-I101 HydrophobicContact CD2-CD1 4.41Å; F58-I101 HydrophobicContact CE2-CD1 3.57Å; F58-I101 HydrophobicContact CZ-CD1 3.64Å; F58-I101 HydrophobicContact CZ-CG1 4.21Å; F58-L116 HydrophobicContact CB-CD1 4.4Å
59H90.3Very high85.9Confident0 Ų031.9 Ų31.90%017%0.165CC..EExtended strand (participates in β ladder)trans-164.5167.318046.7-121.6000111.3L50 L51 R57 D294 V297L50-H59 CarbonylContact C-O 3.51Å; L50-H59 WeakPolarHBondContact CA-O 3.49Å; L51-H59 PolarHBondContact N-O 2.59Å; L51-H59 PolarHBondContact O-N 3.01Å; L51-H59 VanDerWaalsContact O-N 3.15Å; R57-H59 PolarHBondContact NE-CE1 2.9Å; R57-H59 PolarHBondContact NE-NE2 2.74Å; R57-H59 PolarHBondContact NH2-NE2 2.61Å; H59-D294 WeakPolarHBondContact CA-OD1 3.33Å; H59-D294 VanDerWaalsContact CB-OD1 3.23Å; H59-D294 WeakPolarHBondContact CB-OD1 3.48Å; H59-V297 HydrophobicContact CB-CG1 4.21Å; H59-V297 WeakPolarHBondContact ND1-CG1 3.41Å
60S90.1Very high85.3Confident9 Ų937.6 Ų37.66%0.06319%0.192CC..EExtended strand (participates in β ladder)trans-80.4153.2160.6-149.10000110.1Y21 V49 D294Y21-S60 VanDerWaalsContact OH-CB 3.23Å; Y21-S60 WeakPolarHBondContact OH-CB 3.39Å; Y21-S60 PolarHBondContact OH-OG 3.22Å; V49-S60 CarbonylContact O-C 3.1Å; V49-S60 WeakPolarHBondContact O-CA 3.48Å; S60-D294 WeakPolarHBondContact CB-OD2 3.49Å; S60-D294 PolarHBondContact N-OD1 3.18Å; S60-D294 PolarHBondContact N-OD2 2.96Å
61T88.1Confident85Confident9 Ų939.4 Ų39.46%0.05520%0.203CC..  trans-130.8128.5177.2-172.70000112.8L38 V49 L51 F63 W65 D298L38-T61 HydrophobicContact CD2-CG2 4.2Å; V49-T61 HydrophobicContact CB-CG2 4.24Å; V49-T61 HydrophobicContact CG1-CG2 4.08Å; V49-T61 PolarHBondContact O-N 3.49Å; L51-T61 HydrophobicContact CB-CG2 4Å; L51-T61 HydrophobicContact CD1-CG2 4.17Å; T61-F63 VanDerWaalsContact C-N 3.33Å; T61-F63 PolarHBondContact OG1-N 2.94Å; T61-W65 PolarHBondContact OG1-NE1 3.34Å; T61-D298 WeakPolarHBondContact CA-OD2 3.42Å; T61-D298 VanDerWaalsContact CB-OD1 3.27Å; T61-D298 WeakPolarHBondContact CB-OD1 3.21Å; T61-D298 PolarHBondContact OG1-OD1 2.86Å; T61-D298 PolarHBondContact OG1-OD2 2.9Å
62D84.5Confident84.8Confident64 Ų6440.7 Ų40.734%0.34221%0.212SC..  trans-89.91.7173.4-121.214000110.9D298 A514D62-D298 PolarHBondContact N-OD2 3.21Å; D62-A514 WeakPolarHBondContact O-CA 3.41Å; D62-A514 WeakPolarHBondContact O-CB 3.45Å; D62-A514 PolarHBondContact O-N 3.46Å
63F82.3Confident84.6Confident29 Ų2943.3 Ų43.313%0.12724%0.239CC..EExtended strand (participates in β ladder)trans-97.3148.2178.9-69.5-100.8000113T61 W65 D298 E299 S302 I511 K513T61-F63 VanDerWaalsContact C-N 3.33Å; T61-F63 PolarHBondContact OG1-N 2.94Å; F63-W65 VanDerWaalsContact O-CD1 3.28Å; F63-W65 PolarHBondContact O-N 3.2Å; F63-D298 VanDerWaalsContact CD2-OD2 3.24Å; F63-D298 WeakPolarHBondContact CD2-OD2 3.48Å; F63-E299 WeakPolarHBondContact CZ-OE2 3.43Å; F63-S302 VanDerWaalsContact CD2-OG 3.28Å; F63-S302 WeakPolarHBondContact CD2-OG 3.43Å; F63-S302 WeakPolarHBondContact CG-OG 3.21Å; F63-I511 HydrophobicContact CB-CG2 4.15Å; F63-I511 HydrophobicContact CD1-CG2 4.05Å; F63-I511 HydrophobicContact CG-CG2 4.45Å; F63-K513 VanDerWaalsContact CD1-CA 3.47Å; F63-K513 HydrophobicContact CD1-CB 3.95Å; F63-K513 HydrophobicContact CD1-CG 4.42Å; F63-K513 HydrophobicContact CE1-CB 3.82Å; F63-K513 HydrophobicContact CE1-CG 4.26Å; F63-K513 HydrophobicContact CZ-CB 4.36Å; F63-K513 HydrophobicContact CZ-CD 4.3Å; F63-K513 HydrophobicContact CZ-CG 4.35Å
64E78.9Confident84.5Confident77 Ų7743 Ų4336%0.3624%0.238SC..EExtended strand (participates in β ladder)trans-88.993.8171.9-163.2175.8-179.400111.8K67 Q512 A514 K1020E64-K67 IonicContact OE1-NZ 3.9Å; E64-K67 PolarHBondContact OE1-NZ 3.38Å; E64-Q512 PolarHBondContact N-O 2.87Å; E64-A514 HydrophobicContact CB-CB 4.05Å; E64-K1020 IonicContact OE1-NZ 3.59Å; E64-K1020 PolarHBondContact OE1-NZ 3.45Å; E64-K1020 IonicContact OE2-NZ 3.85Å; E64-K1020 PolarHBondContact OE2-NZ 3.34Å
65W82.3Confident84.6Confident8 Ų843 Ų433%0.0324%0.237CC..PPolyproline II helixtrans-67143.5172.7-64.979.4000112.7I32 L38 L51 T61 F63 K67 E305 I511I32-W65 HydrophobicContact CD1-CB 3.69Å; I32-W65 HydrophobicContact CD1-CD2 4.11Å; I32-W65 HydrophobicContact CD1-CE3 3.96Å; I32-W65 HydrophobicContact CD1-CG 3.98Å; I32-W65 HydrophobicContact CG1-CB 4.16Å; L38-W65 HydrophobicContact CD1-CB 4.07Å; L38-W65 HydrophobicContact CD2-CG 4.48Å; L51-W65 HydrophobicContact CD1-CD2 3.81Å; L51-W65 VanDerWaalsContact CD1-CE2 3.41Å; L51-W65 HydrophobicContact CD1-CE3 4.36Å; L51-W65 HydrophobicContact CD1-CG 4.26Å; L51-W65 HydrophobicContact CD1-CH2 4.34Å; L51-W65 HydrophobicContact CD1-CZ2 3.74Å; T61-W65 PolarHBondContact OG1-NE1 3.34Å; F63-W65 VanDerWaalsContact O-CD1 3.28Å; F63-W65 PolarHBondContact O-N 3.2Å; W65-K67 PolarHBondContact O-N 2.98Å; W65-K67 PolarHBondContact O-NZ 3.43Å; W65-E305 HydrophobicContact CH2-CB 3.92Å; W65-E305 HydrophobicContact CH2-CG 4.48Å; W65-E305 HydrophobicContact CZ3-CB 3.87Å; W65-E305 HydrophobicContact CZ3-CG 3.92Å; W65-I511 HydrophobicContact CE3-CD1 4.23Å; W65-I511 HydrophobicContact CH2-CD1 4.2Å; W65-I511 HydrophobicContact CZ3-CD1 3.96Å
66P79.3Confident85Confident55 Ų5547.4 Ų47.436%0.35726%0.259SS..PPolyproline II helixtrans-66.9121.4174.227.8-33.7000110.1
67K84.2Confident85.1Confident60 Ų6050.1 Ų50.126%0.26127%0.268SS..PPolyproline II helixtrans-95.6139.3-175.6-63.7152.6-162.674.50109.6Y30 L38 E64 W65Y30-K67 HydrophobicContact CD1-CD 4.17Å; Y30-K67 HydrophobicContact CD1-CG 4.37Å; Y30-K67 HydrophobicContact CE1-CD 4.4Å; Y30-K67 HydrophobicContact CG-CD 4.44Å; Y30-K67 HydrophobicContact CG-CG 4.46Å; L38-K67 HydrophobicContact CD1-CG 4.31Å; E64-K67 IonicContact OE1-NZ 3.9Å; E64-K67 PolarHBondContact OE1-NZ 3.38Å; W65-K67 PolarHBondContact O-N 2.98Å; W65-K67 PolarHBondContact O-NZ 3.43Å
68N80.3Confident85.2Confident78 Ų7850 Ų5042%0.41727%0.269SS..PPolyproline II helixtrans-64.1136.9173.2-173.36.4000110.7D31 M70D31-N68 WeakPolarHBondContact O-CB 3.46Å; D31-N68 PolarHBondContact O-N 3.14Å; D31-N68 PolarHBondContact OD2-ND2 3.43Å; N68-M70 VanDerWaalsContact CG-O 3.25Å; N68-M70 PolarHBondContact ND2-O 3.43Å; N68-M70 PolarHBondContact OD1-N 2.97Å; N68-M70 PolarHBondContact OD1-O 2.91Å
69M73.3Confident85.3Confident186 Ų18652.5 Ų52.592%0.91628%0.278SS*.SBendtrans-76.5-25.3-178.3-73.4-65.8-65.400113
70M79.6Confident85.3Confident153 Ų15360.5 Ų60.575%0.75431%0.312SS*.SBendtrans-121.8112.1175.9179.1172.417700109.2N68N68-M70 VanDerWaalsContact CG-O 3.25Å; N68-M70 PolarHBondContact ND2-O 3.43Å; N68-M70 PolarHBondContact OD1-N 2.97Å; N68-M70 PolarHBondContact OD1-O 2.91Å
71P84.5Confident85.3Confident39 Ų3961.7 Ų61.725%0.25332%0.317SS..  trans-70.4143.2-169.131.1-39000113.1D31 A75 M76 R79D31-P71 VanDerWaalsContact OD1-CA 3.29Å; D31-P71 WeakPolarHBondContact OD1-CA 3.1Å; P71-A75 HydrophobicContact CB-CB 4.46Å; P71-M76 HydrophobicContact CB-CG 4.04Å; P71-M76 HydrophobicContact CB-SD 4.1Å; P71-M76 HydrophobicContact CG-CG 3.74Å; P71-M76 HydrophobicContact CG-SD 3.52Å; P71-M76 VanDerWaalsContact CG-SD 3.52Å; P71-R79 VanDerWaalsContact CG-NH1 3.34Å
72S88Confident85.3Confident27 Ų2761.2 Ų61.219%0.18931%0.314CS..  trans-61.1154173.286.90000112.7D31 Y37 F74 A75 M76D31-S72 PolarHBondContact OD2-N 3.03Å; Y37-S72 PolarHBondContact OH-OG 2.9Å; S72-F74 PolarHBondContact O-N 2.79Å; S72-A75 PolarHBondContact O-N 2.74Å; S72-A75 VanDerWaalsContact O-N 3.1Å; S72-A75 PolarHBondContact OG-N 3.31Å; S72-A75 VanDerWaalsContact OG-N 3.12Å; S72-M76 PolarHBondContact O-N 3.01Å
73G86.6Confident85.6Confident56 Ų5664.3 Ų64.358%0.57732%0.324SS*.Hα-helixtrans-58.7-35.4176.600000112.9M76 K77G73-M76 PolarHBondContact O-N 2.87Å; G73-K77 PolarHBondContact O-N 3.16Å
74F88.6Confident85.9Confident16 Ų1664.8 Ų64.87%0.0734%0.338CS..Hα-helixtrans-61.7-51172-171.8-81.2000111.1Y37 S72 M76 K77 C78 L112 I122 N133 L135Y37-F74 HydrophobicContact CD1-CD1 4.34Å; Y37-F74 HydrophobicContact CE1-CB 4.43Å; Y37-F74 AromaticContact CE1-CD1 3.76Å; Y37-F74 HydrophobicContact CE1-CD1 3.76Å; Y37-F74 HydrophobicContact CE1-CG 4.47Å; Y37-F74 HydrophobicContact CE2-CD1 4.34Å; Y37-F74 AromaticContact CZ-CD1 3.76Å; S72-F74 PolarHBondContact O-N 2.79Å; F74-M76 VanDerWaalsContact C-N 3.26Å; F74-M76 PolarHBondContact O-N 2.99Å; F74-K77 PolarHBondContact O-N 2.83Å; F74-C78 WeakPolarHBondContact CE1-SG 3.25Å; F74-C78 PolarHBondContact O-N 2.55Å; F74-C78 PolarHBondContact O-SG 2.76Å; F74-L112 HydrophobicContact CZ-CD1 4.39Å; F74-I122 HydrophobicContact CE1-CB 4.42Å; F74-I122 HydrophobicContact CE1-CG2 4Å; F74-I122 VanDerWaalsContact CE2-O 3.23Å; F74-I122 WeakPolarHBondContact CE2-O 3.46Å; F74-I122 HydrophobicContact CZ-CB 3.95Å; F74-I122 HydrophobicContact CZ-CG2 3.65Å; F74-N133 WeakPolarHBondContact CD2-ND2 3.43Å; F74-L135 HydrophobicContact CD2-CB 4.33Å; F74-L135 HydrophobicContact CD2-CD1 4.45Å; F74-L135 HydrophobicContact CE2-CB 4.35Å
75A89.6Confident86.5Confident0 Ų064.3 Ų64.30%033%0.333CS..Hα-helixtrans-59.8-36.3177.200000112.2D31 Y37 P71 S72 C78 R79D31-A75 HydrophobicContact CB-CB 4.27Å; Y37-A75 HydrophobicContact CD1-CB 4.36Å; Y37-A75 HydrophobicContact CE1-CB 4.11Å; P71-A75 HydrophobicContact CB-CB 4.46Å; S72-A75 PolarHBondContact O-N 2.74Å; S72-A75 VanDerWaalsContact O-N 3.1Å; S72-A75 PolarHBondContact OG-N 3.31Å; S72-A75 VanDerWaalsContact OG-N 3.12Å; A75-C78 PolarHBondContact O-N 3.15Å; A75-R79 WeakPolarHBondContact O-CB 3.24Å; A75-R79 VanDerWaalsContact O-CG 3.27Å; A75-R79 WeakPolarHBondContact O-CG 3.42Å; A75-R79 PolarHBondContact O-N 2.83Å
76M89.5Confident86.9Confident95 Ų9570.6 Ų70.647%0.46836%0.356SS..Hα-helixtrans-68.8-39.8176.1-73.9-62.7-68.600113.2P71 S72 G73 F74 R79 K80P71-M76 HydrophobicContact CB-CG 4.04Å; P71-M76 HydrophobicContact CB-SD 4.1Å; P71-M76 HydrophobicContact CG-CG 3.74Å; P71-M76 HydrophobicContact CG-SD 3.52Å; P71-M76 VanDerWaalsContact CG-SD 3.52Å; S72-M76 PolarHBondContact O-N 3.01Å; G73-M76 PolarHBondContact O-N 2.87Å; F74-M76 VanDerWaalsContact C-N 3.26Å; F74-M76 PolarHBondContact O-N 2.99Å; M76-R79 PolarHBondContact O-N 3.2Å; M76-K80 PolarHBondContact O-N 3.35Å
77K89.5Confident87.5Confident84 Ų8468 Ų6837%0.36534%0.339SS..Hα-helixtrans-64.6-44.5171.2-73-178-178.8-176.40111.1G73 F74 R79 K80 H81 N133G73-K77 PolarHBondContact O-N 3.16Å; F74-K77 PolarHBondContact O-N 2.83Å; K77-R79 VanDerWaalsContact C-N 3.3Å; K77-R79 PolarHBondContact O-N 3.23Å; K77-K80 WeakPolarHBondContact O-CB 3.31Å; K77-K80 PolarHBondContact O-N 3.02Å; K77-H81 PolarHBondContact O-CD2 3.13Å; K77-H81 VanDerWaalsContact O-CD2 3.28Å; K77-H81 PolarHBondContact O-N 2.94Å; K77-H81 VanDerWaalsContact O-N 3.08Å; K77-N133 HydrophobicContact CD-CB 3.68Å; K77-N133 VanDerWaalsContact CD-OD1 3.24Å; K77-N133 WeakPolarHBondContact CD-OD1 3.5Å; K77-N133 WeakPolarHBondContact CE-OD1 3.27Å; K77-N133 PolarHBondContact NZ-OD1 2.74Å
78C90.4Very high87.8Confident3 Ų366.9 Ų66.92%0.0234%0.338CS..Hα-helixtrans-59.4-37.8173.6-670000112.8V29 F74 A75 K80 H81 L82V29-C78 HydrophobicContact CG1-CB 4.3Å; V29-C78 HydrophobicContact CG2-CB 4.28Å; F74-C78 WeakPolarHBondContact CE1-SG 3.25Å; F74-C78 PolarHBondContact O-N 2.55Å; F74-C78 PolarHBondContact O-SG 2.76Å; A75-C78 PolarHBondContact O-N 3.15Å; C78-K80 PolarHBondContact O-N 3.23Å; C78-H81 PolarHBondContact O-N 3Å; C78-L82 HydrophobicContact CB-CD1 4.19Å; C78-L82 VanDerWaalsContact O-CB 3.3Å; C78-L82 WeakPolarHBondContact O-CB 3.26Å; C78-L82 WeakPolarHBondContact O-CG 3.28Å; C78-L82 PolarHBondContact O-N 2.69Å
79R91.3Very high88.2Confident54 Ų5467.8 Ų67.820%0.20434%0.34CS..Hα-helixtrans-64.9-32.9171.8-75.6173-176171.76.7113.7N28 V29 P71 A75 M76 K77 K83N28-R79 WeakPolarHBondContact OD1-CG 3.42Å; N28-R79 PolarHBondContact OD1-NE 3.21Å; N28-R79 VanDerWaalsContact OD1-NE 3.14Å; V29-R79 HydrophobicContact CB-CG 4.21Å; V29-R79 PolarHBondContact O-NE 3.35Å; V29-R79 PolarHBondContact O-NH2 3.47Å; P71-R79 VanDerWaalsContact CG-NH1 3.34Å; A75-R79 WeakPolarHBondContact O-CB 3.24Å; A75-R79 VanDerWaalsContact O-CG 3.27Å; A75-R79 WeakPolarHBondContact O-CG 3.42Å; A75-R79 PolarHBondContact O-N 2.83Å; M76-R79 PolarHBondContact O-N 3.2Å; K77-R79 VanDerWaalsContact C-N 3.3Å; K77-R79 PolarHBondContact O-N 3.23Å; R79-K83 WeakPolarHBondContact O-CB 3.49Å
80K90.7Very high89.1Confident168 Ų16859 Ų5973%0.7330%0.296SS*.Hα-helixtrans-70.1-39.9177.4-176.1-175.3176.3-171.10111.7M76 K77 C78M76-K80 PolarHBondContact O-N 3.35Å; K77-K80 WeakPolarHBondContact O-CB 3.31Å; K77-K80 PolarHBondContact O-N 3.02Å; C78-K80 PolarHBondContact O-N 3.23Å
81H89.3Confident89.6Confident34 Ų3454.9 Ų54.916%0.15727%0.274CS..Hα-helixtrans-95.8-46.8-170.9-71.9-80.1000113.6K77 C78 R85 Y110 L124K77-H81 PolarHBondContact O-CD2 3.13Å; K77-H81 VanDerWaalsContact O-CD2 3.28Å; K77-H81 PolarHBondContact O-N 2.94Å; K77-H81 VanDerWaalsContact O-N 3.08Å; C78-H81 PolarHBondContact O-N 3Å; H81-R85 PolarHBondContact O-NE 3.35Å; H81-Y110 HydrophobicContact CB-CD2 3.7Å; H81-Y110 HydrophobicContact CB-CE2 3.47Å; H81-Y110 VanDerWaalsContact CB-CE2 3.47Å; H81-Y110 HydrophobicContact CB-CG 4.38Å; H81-Y110 AromaticContact CG-CE2 3.88Å; H81-Y110 AromaticContact ND1-CE1 3.91Å; H81-Y110 AromaticContact ND1-CE2 3.49Å; H81-Y110 WeakPolarHBondContact ND1-CE2 3.38Å; H81-Y110 AromaticContact ND1-CZ 3.22Å; H81-Y110 PolarHBondContact ND1-OH 3.23Å; H81-Y110 VanDerWaalsContact O-CD2 3.29Å; H81-Y110 WeakPolarHBondContact O-CD2 3.38Å; H81-Y110 WeakPolarHBondContact O-CE2 3.44Å; H81-L124 HydrophobicContact CB-CD2 4.16Å
82L89.8Confident89.8Confident0 Ų054.5 Ų54.50%027%0.269CS..THydrogen-bonded Turntrans-86-25.5-171.5-52.8-177.5000114.1V26 C78 G84 R85 F103 Y110 L112 L124V26-L82 WeakPolarHBondContact CB-O 3.38Å; V26-L82 HydrophobicContact CG1-CB 4.44Å; C78-L82 HydrophobicContact CB-CD1 4.19Å; C78-L82 VanDerWaalsContact O-CB 3.3Å; C78-L82 WeakPolarHBondContact O-CB 3.26Å; C78-L82 WeakPolarHBondContact O-CG 3.28Å; C78-L82 PolarHBondContact O-N 2.69Å; L82-G84 PolarHBondContact O-N 3.4Å; L82-R85 WeakPolarHBondContact O-CB 3.35Å; L82-R85 PolarHBondContact O-N 3.09Å; L82-R85 VanDerWaalsContact O-N 3.13Å; L82-F103 HydrophobicContact CD1-CD2 4.04Å; L82-F103 HydrophobicContact CD1-CE2 3.95Å; L82-F103 HydrophobicContact CD2-CB 3.98Å; L82-F103 HydrophobicContact CD2-CD2 3.69Å; L82-F103 HydrophobicContact CD2-CE2 4.44Å; L82-F103 HydrophobicContact CD2-CG 4.04Å; L82-F103 HydrophobicContact CG-CD2 4.37Å; L82-Y110 HydrophobicContact CD2-CD2 4.32Å; L82-Y110 HydrophobicContact CD2-CG 4.37Å; L82-L112 HydrophobicContact CD1-CD2 4.32Å; L82-L124 HydrophobicContact CD1-CD1 4.41Å; L82-L124 HydrophobicContact CD2-CD1 3.75Å; L82-L124 HydrophobicContact CG-CD1 4.18Å
83K90.8Very high89.6Confident128 Ų12853.7 Ų53.756%0.55726%0.262SS*.THydrogen-bonded Turntrans-61.6129.2-170.7-176.1175.3178-176.30112.1N27 R79 R85N27-K83 VanDerWaalsContact O-CE 3.28Å; N27-K83 WeakPolarHBondContact O-CE 3.38Å; N27-K83 WeakPolarHBondContact O-CG 3.42Å; R79-K83 WeakPolarHBondContact O-CB 3.49Å; K83-R85 VanDerWaalsContact C-N 3.29Å; K83-R85 PolarHBondContact O-N 2.92Å
84G87.7Confident89.2Confident39 Ų3952.5 Ų52.540%0.40225%0.251SS..THydrogen-bonded Turntrans86-16.2-17900000115V26 L82V26-G84 PolarHBondContact O-N 3.13Å; L82-G84 PolarHBondContact O-N 3.4Å
85R90.5Very high88.7Confident68 Ų6852.9 Ų52.926%0.25725%0.253SS..PPolyproline II helixtrans-73.1154.7175-56.7-166.8-173.8-144-7.7110.7R25 V26 H81 L82 K83 F103 A108 Y110R25-R85 CarbonylContact C-O 3.54Å; R25-R85 VanDerWaalsContact CA-O 3.3Å; R25-R85 WeakPolarHBondContact CA-O 3.42Å; V26-R85 PolarHBondContact N-O 3.21Å; H81-R85 PolarHBondContact O-NE 3.35Å; L82-R85 WeakPolarHBondContact O-CB 3.35Å; L82-R85 PolarHBondContact O-N 3.09Å; L82-R85 VanDerWaalsContact O-N 3.13Å; K83-R85 VanDerWaalsContact C-N 3.29Å; K83-R85 PolarHBondContact O-N 2.92Å; R85-F103 HydrophobicContact CB-CB 4.31Å; R85-A108 VanDerWaalsContact NH1-C 3.27Å; R85-A108 PolarHBondContact NH1-O 3.39Å; R85-Y110 VanDerWaalsContact NH1-CE2 3.34Å
86R91.7Very high88.2Confident139 Ų13955 Ų5553%0.52527%0.265SS..BIsolated β-bridgetrans-83.7143.4173.7-74.8178.6159.9145-7.6109.9M24 R25 T88 F103 G104M24-R86 CarbonylContact O-C 3.57Å; M24-R86 WeakPolarHBondContact O-CA 3.14Å; R25-R86 HydrophobicContact CG-CG 3.78Å; R86-T88 PolarHBondContact O-N 3.47Å; R86-F103 CarbonylContact O-C 3.52Å; R86-F103 VanDerWaalsContact O-CA 3.3Å; R86-F103 WeakPolarHBondContact O-CA 3.49Å; R86-G104 PolarHBondContact O-N 3.41Å
87L91.8Very high88.1Confident1 Ų154.9 Ų54.91%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-68.7121.9159.3177.159.1000107.8G23 M24 L41 L50 V90 I101 Q102 F103G23-L87 WeakPolarHBondContact CA-O 3.43Å; G23-L87 PolarHBondContact N-O 2.95Å; M24-L87 PolarHBondContact O-N 3.05Å; L41-L87 HydrophobicContact CD1-CD2 3.89Å; L50-L87 HydrophobicContact CD1-CD2 4.5Å; L87-V90 HydrophobicContact CD1-CG2 3.97Å; L87-V90 HydrophobicContact CD2-CG2 4.42Å; L87-I101 HydrophobicContact CD1-CG2 3.59Å; L87-Q102 WeakPolarHBondContact CD1-O 3.39Å; L87-F103 HydrophobicContact CB-CD1 4.34Å; L87-F103 HydrophobicContact CB-CE1 4.22Å; L87-F103 HydrophobicContact CD1-CD1 4.36Å; L87-F103 HydrophobicContact CD1-CE1 4.03Å; L87-F103 HydrophobicContact CD1-CZ 4.43Å
88T90.7Very high88.1Confident37 Ų3751.4 Ų51.423%0.22724%0.244CC..EExtended strand (participates in β ladder)trans-100.5-48.7-179.845.90000111.8R86 Q102 G104R86-T88 PolarHBondContact O-N 3.47Å; T88-Q102 PolarHBondContact N-O 3.32Å; T88-Q102 WeakPolarHBondContact OG1-CB 3.29Å; T88-Q102 WeakPolarHBondContact OG1-CG 3.24Å; T88-Q102 PolarHBondContact OG1-O 2.99Å; T88-Q102 VanDerWaalsContact OG1-O 3.13Å; T88-Q102 PolarHBondContact OG1-OE1 3.19Å; T88-G104 WeakPolarHBondContact CG2-O 3.14Å; T88-G104 PolarHBondContact OG1-O 3.32Å
89Q89.3Confident88.2Confident97 Ų9751.3 Ų51.345%0.45324%0.243SC..EExtended strand (participates in β ladder)trans-150.9146.1-176.8-169.9178.826.300110.9Q102Q89-Q102 PolarHBondContact O-N 2.69Å
90V91.6Very high88.2Confident2 Ų248.8 Ų48.81%0.01223%0.234CC..EExtended strand (participates in β ladder)trans-115.7133159.8-173.60000108.9I14 I17 N18 F58 L87 V99 D100 I101I14-V90 HydrophobicContact CD1-CG1 4.39Å; I14-V90 HydrophobicContact CG1-CG1 3.95Å; I14-V90 HydrophobicContact CG2-CB 4.35Å; I14-V90 HydrophobicContact CG2-CG1 4.13Å; I17-V90 HydrophobicContact CG2-CB 4.48Å; I17-V90 HydrophobicContact CG2-CG2 3.79Å; N18-V90 PolarHBondContact ND2-O 3.44Å; N18-V90 WeakPolarHBondContact OD1-CB 3.42Å; N18-V90 PolarHBondContact OD1-N 3.14Å; N18-V90 PolarHBondContact OD1-O 2.82Å; F58-V90 HydrophobicContact CE1-CG1 4.08Å; F58-V90 HydrophobicContact CZ-CG1 4.41Å; L87-V90 HydrophobicContact CD1-CG2 3.97Å; L87-V90 HydrophobicContact CD2-CG2 4.42Å; V90-V99 HydrophobicContact CG1-CG1 3.51Å; V90-D100 WeakPolarHBondContact CA-O 3.37Å; V90-I101 HydrophobicContact CG1-CG1 4.14Å; V90-I101 HydrophobicContact CG2-CG1 4.44Å; V90-I101 HydrophobicContact CG2-CG2 4.18Å
91K89.3Confident88.3Confident65 Ų6540.8 Ų40.828%0.28320%0.199SC..EExtended strand (participates in β ladder)trans-137.6152.7177.863.7-179.8176.61770111.7L93 D100 Y129K91-L93 HydrophobicContact CD-CD2 4.36Å; K91-L93 HydrophobicContact CG-CD2 4.47Å; K91-D100 WeakPolarHBondContact CE-OD2 3.22Å; K91-D100 HydrophobicContact CG-CB 3.94Å; K91-D100 PolarHBondContact N-O 3.25Å; K91-D100 IonicContact NZ-OD2 2.77Å; K91-D100 PolarHBondContact NZ-OD2 3.12Å; K91-D100 PolarHBondContact O-N 3.44Å; K91-Y129 PolarHBondContact NZ-OH 3.22Å
92Q88.3Confident88.5Confident32 Ų3241.3 Ų41.315%0.1520%0.202CC..EExtended strand (participates in β ladder)trans-79142.7163.8-168.3178.45.700108.6R11 I14 I95 D96R11-Q92 VanDerWaalsContact NE-OE1 3.1Å; I14-Q92 HydrophobicContact CD1-CB 4.14Å; Q92-I95 VanDerWaalsContact NE2-C 3.32Å; Q92-I95 PolarHBondContact NE2-O 3.44Å; Q92-I95 VanDerWaalsContact NE2-O 3.08Å; Q92-D96 WeakPolarHBondContact CG-O 3.29Å; Q92-D96 PolarHBondContact NE2-O 3.16Å
93L84.9Confident88.6Confident9 Ų941.3 Ų41.35%0.04720%0.202CC..  trans-93.8113.5169.5-63.5-175.4000109.4K91 D96 I98 D100 I113 Y153 V155 A158K91-L93 HydrophobicContact CD-CD2 4.36Å; K91-L93 HydrophobicContact CG-CD2 4.47Å; L93-D96 PolarHBondContact O-N 3.2Å; L93-I98 HydrophobicContact CB-CB 4.28Å; L93-I98 HydrophobicContact CB-CG2 4.28Å; L93-I98 HydrophobicContact CD1-CG2 3.94Å; L93-I98 HydrophobicContact CG-CG2 4.36Å; L93-I98 PolarHBondContact N-O 3.14Å; L93-D100 HydrophobicContact CD1-CB 4.17Å; L93-D100 HydrophobicContact CD2-CB 3.88Å; L93-D100 HydrophobicContact CG-CB 3.93Å; L93-I113 HydrophobicContact CD1-CG2 4.29Å; L93-Y153 HydrophobicContact CD1-CE1 4.36Å; L93-V155 HydrophobicContact CD1-CG1 4.42Å; L93-V155 HydrophobicContact CD2-CG1 4.24Å; L93-A158 HydrophobicContact CB-CB 4.2Å
94G78.9Confident88.5Confident32 Ų3235.7 Ų35.733%0.3318%0.18SC..THydrogen-bonded Turntrans61.5-147.6-173.400000112.3R159G94-R159 CarbonylContact C-O 3.55Å; G94-R159 WeakPolarHBondContact CA-O 3.38Å
95I76.7Confident88.3Confident24 Ų2436.8 Ų36.812%0.12318%0.181CC..THydrogen-bonded Turntrans-92.6-1165.3-5.9174.4000112.9T7 Q92 R159 P160 P192T7-I95 HydrophobicContact CG2-CG2 4.1Å; T7-I95 WeakPolarHBondContact CG2-O 3.45Å; Q92-I95 VanDerWaalsContact NE2-C 3.32Å; Q92-I95 PolarHBondContact NE2-O 3.44Å; Q92-I95 VanDerWaalsContact NE2-O 3.08Å; I95-R159 PolarHBondContact N-O 3.4Å; I95-P160 WeakPolarHBondContact CD1-O 3.22Å; I95-P192 HydrophobicContact CB-CB 4.05Å; I95-P192 HydrophobicContact CD1-CB 3.89Å; I95-P192 HydrophobicContact CD1-CG 3.87Å; I95-P192 HydrophobicContact CG2-CB 3.6Å; I95-P192 HydrophobicContact CG2-CG 4.14Å
96D80.6Confident88Confident45 Ų4540.3 Ų40.324%0.24121%0.205CC..SBendtrans-72.2162.4-178-79.4-54.8000112.7Q92 L93 I98 R159Q92-D96 WeakPolarHBondContact CG-O 3.29Å; Q92-D96 PolarHBondContact NE2-O 3.16Å; L93-D96 PolarHBondContact O-N 3.2Å; D96-I98 HydrophobicContact CB-CD1 4.16Å; D96-I98 HydrophobicContact CB-CG1 4.17Å; D96-I98 PolarHBondContact O-N 2.9Å; D96-R159 IonicContact OD1-NE 3.31Å; D96-R159 WeakPolarHBondContact OD2-CB 3.34Å; D96-R159 VanDerWaalsContact OD2-CG 3.32Å; D96-R159 WeakPolarHBondContact OD2-CG 3.41Å; D96-R159 PolarHBondContact OD2-N 3.11Å
97R87.3Confident87.3Confident91 Ų9141.8 Ų41.834%0.34322%0.218SC..SBendtrans-81.856.8-179.3-63.6177.3-70.8178-6.2111I10 L116I10-R97 HydrophobicContact CD1-CB 3.71Å; I10-R97 HydrophobicContact CD1-CG 3.73Å; R97-L116 HydrophobicContact CB-CB 4.27Å; R97-L116 WeakPolarHBondContact O-CB 3.37Å; R97-L116 PolarHBondContact O-N 2.83Å
98I89.2Confident86.9Confident12 Ų1244 Ų446%0.06224%0.237CC..EExtended strand (participates in β ladder)trans-129.7125.5-177.9-53.3175000107.7L93 D96 I113 V114 E115 Y117L93-I98 HydrophobicContact CB-CB 4.28Å; L93-I98 HydrophobicContact CB-CG2 4.28Å; L93-I98 HydrophobicContact CD1-CG2 3.94Å; L93-I98 HydrophobicContact CG-CG2 4.36Å; L93-I98 PolarHBondContact N-O 3.14Å; D96-I98 HydrophobicContact CB-CD1 4.16Å; D96-I98 HydrophobicContact CB-CG1 4.17Å; D96-I98 PolarHBondContact O-N 2.9Å; I98-I113 HydrophobicContact CG2-CG2 3.5Å; I98-V114 WeakPolarHBondContact CA-O 3.3Å; I98-E115 HydrophobicContact CG1-CG 4.48Å; I98-E115 HydrophobicContact CG2-CG 4.49Å; I98-Y117 HydrophobicContact CD1-CE1 4.02Å; I98-Y117 HydrophobicContact CG1-CD1 4.29Å; I98-Y117 HydrophobicContact CG1-CE1 3.92Å
99V91.1Very high86.7Confident0 Ų042.4 Ų42.40%023%0.227CC..EExtended strand (participates in β ladder)trans-113126.9-179.1-172.40000109I10 I14 F58 V90 I101 I113 V114 L116I10-V99 HydrophobicContact CG2-CG2 3.86Å; I14-V99 HydrophobicContact CD1-CG1 3.85Å; I14-V99 HydrophobicContact CD1-CG2 4.09Å; I14-V99 HydrophobicContact CG1-CG1 4.25Å; F58-V99 HydrophobicContact CD1-CG1 4.35Å; F58-V99 HydrophobicContact CE1-CG1 4.12Å; V90-V99 HydrophobicContact CG1-CG1 3.51Å; V99-I101 HydrophobicContact CG1-CG1 4.08Å; V99-I113 CarbonylContact O-C 3.59Å; V99-I113 WeakPolarHBondContact O-CA 3.22Å; V99-V114 HydrophobicContact CB-CB 4.41Å; V99-V114 PolarHBondContact N-O 3.21Å; V99-V114 PolarHBondContact O-N 3.16Å; V99-L116 HydrophobicContact CG2-CD1 4.05Å
100D92.1Very high86.9Confident1 Ų139.8 Ų39.81%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-104122.9172179.619000109.5V90 K91 L93 H111 Y129V90-D100 WeakPolarHBondContact CA-O 3.37Å; K91-D100 WeakPolarHBondContact CE-OD2 3.22Å; K91-D100 HydrophobicContact CG-CB 3.94Å; K91-D100 PolarHBondContact N-O 3.25Å; K91-D100 IonicContact NZ-OD2 2.77Å; K91-D100 PolarHBondContact NZ-OD2 3.12Å; K91-D100 PolarHBondContact O-N 3.44Å; L93-D100 HydrophobicContact CD1-CB 4.17Å; L93-D100 HydrophobicContact CD2-CB 3.88Å; L93-D100 HydrophobicContact CG-CB 3.93Å; D100-H111 WeakPolarHBondContact OD1-CB 3.21Å; D100-H111 IonicContact OD1-CG 3.26Å; D100-H111 IonicContact OD1-ND1 3.09Å; D100-H111 PolarHBondContact OD1-ND1 2.97Å; D100-H111 IonicContact OD2-CE1 3.34Å; D100-H111 IonicContact OD2-CG 2.72Å; D100-H111 IonicContact OD2-ND1 2.68Å; D100-H111 PolarHBondContact OD2-ND1 3.49Å; D100-Y129 WeakPolarHBondContact OD2-CE1 3.43Å; D100-Y129 PolarHBondContact OD2-OH 3.05Å
101I93.2Very high86.9Confident0 Ų040 Ų400%021%0.214CC..EExtended strand (participates in β ladder)trans-114.8107.7-177.4-53.9169.8000107.6I52 F58 L87 V90 V99 F103 L112 V114I52-I101 HydrophobicContact CD1-CD1 4.14Å; F58-I101 HydrophobicContact CD2-CD1 4.41Å; F58-I101 HydrophobicContact CE2-CD1 3.57Å; F58-I101 HydrophobicContact CZ-CD1 3.64Å; F58-I101 HydrophobicContact CZ-CG1 4.21Å; L87-I101 HydrophobicContact CD1-CG2 3.59Å; V90-I101 HydrophobicContact CG1-CG1 4.14Å; V90-I101 HydrophobicContact CG2-CG1 4.44Å; V90-I101 HydrophobicContact CG2-CG2 4.18Å; V99-I101 HydrophobicContact CG1-CG1 4.08Å; I101-F103 HydrophobicContact CB-CE2 4.11Å; I101-F103 HydrophobicContact CG2-CD2 4.17Å; I101-F103 HydrophobicContact CG2-CE1 4.25Å; I101-F103 HydrophobicContact CG2-CE2 3.38Å; I101-F103 HydrophobicContact CG2-CZ 3.43Å; I101-F103 VanDerWaalsContact CG2-CZ 3.43Å; I101-L112 HydrophobicContact CB-CB 4.3Å; I101-L112 WeakPolarHBondContact CB-O 3.2Å; I101-L112 PolarHBondContact N-O 3.27Å; I101-L112 PolarHBondContact O-N 3.08Å; I101-V114 HydrophobicContact CD1-CG2 4.05Å
102Q92.7Very high87.1Confident46 Ų4637.1 Ų37.122%0.21520%0.202CC..EExtended strand (participates in β ladder)trans-89.5130.9-177.1-169.9-173.861.700111.9L87 T88 Q89 A109 H111L87-Q102 WeakPolarHBondContact CD1-O 3.39Å; T88-Q102 PolarHBondContact N-O 3.32Å; T88-Q102 WeakPolarHBondContact OG1-CB 3.29Å; T88-Q102 WeakPolarHBondContact OG1-CG 3.24Å; T88-Q102 PolarHBondContact OG1-O 2.99Å; T88-Q102 VanDerWaalsContact OG1-O 3.13Å; T88-Q102 PolarHBondContact OG1-OE1 3.19Å; Q89-Q102 PolarHBondContact O-N 2.69Å; Q102-A109 HydrophobicContact CG-CB 4.14Å; Q102-H111 PolarHBondContact NE2-CE1 3.2Å; Q102-H111 PolarHBondContact NE2-NE2 3.47Å
103F92.6Very high87.3Confident0 Ų035.6 Ų35.60%020%0.195CC..EExtended strand (participates in β ladder)trans-122.3112.4177.8-65.1-79.1000111.9V26 I39 L41 L82 R85 R86 L87 I101 Y110 L112V26-F103 HydrophobicContact CG2-CD1 3.51Å; V26-F103 HydrophobicContact CG2-CE1 3.4Å; V26-F103 HydrophobicContact CG2-CZ 4.32Å; I39-F103 HydrophobicContact CD1-CE2 4.43Å; I39-F103 HydrophobicContact CD1-CZ 4Å; I39-F103 HydrophobicContact CG2-CZ 4.48Å; L41-F103 HydrophobicContact CD2-CE1 4.44Å; L82-F103 HydrophobicContact CD1-CD2 4.04Å; L82-F103 HydrophobicContact CD1-CE2 3.95Å; L82-F103 HydrophobicContact CD2-CB 3.98Å; L82-F103 HydrophobicContact CD2-CD2 3.69Å; L82-F103 HydrophobicContact CD2-CE2 4.44Å; L82-F103 HydrophobicContact CD2-CG 4.04Å; L82-F103 HydrophobicContact CG-CD2 4.37Å; R85-F103 HydrophobicContact CB-CB 4.31Å; R86-F103 CarbonylContact O-C 3.52Å; R86-F103 VanDerWaalsContact O-CA 3.3Å; R86-F103 WeakPolarHBondContact O-CA 3.49Å; L87-F103 HydrophobicContact CB-CD1 4.34Å; L87-F103 HydrophobicContact CB-CE1 4.22Å; L87-F103 HydrophobicContact CD1-CD1 4.36Å; L87-F103 HydrophobicContact CD1-CE1 4.03Å; L87-F103 HydrophobicContact CD1-CZ 4.43Å; I101-F103 HydrophobicContact CB-CE2 4.11Å; I101-F103 HydrophobicContact CG2-CD2 4.17Å; I101-F103 HydrophobicContact CG2-CE1 4.25Å; I101-F103 HydrophobicContact CG2-CE2 3.38Å; I101-F103 HydrophobicContact CG2-CZ 3.43Å; I101-F103 VanDerWaalsContact CG2-CZ 3.43Å; F103-Y110 PolarHBondContact N-O 2.77Å; F103-Y110 PolarHBondContact O-N 3.09Å; F103-L112 HydrophobicContact CD2-CB 4.32Å; F103-L112 HydrophobicContact CE2-CB 3.92Å; F103-L112 HydrophobicContact CE2-CD2 4.1Å
104G88.8Confident87.6Confident9 Ų935.1 Ų35.19%0.09319%0.193CC..SBendtrans89.9172-173.200000112.9R86 T88R86-G104 PolarHBondContact O-N 3.41Å; T88-G104 WeakPolarHBondContact CG2-O 3.14Å; T88-G104 PolarHBondContact OG1-O 3.32Å
105S84.3Confident88.1Confident63 Ų6333.6 Ų33.644%0.44118%0.177SC..SBendtrans-114.3157.5-176.5-57.70000110.4A108 A109S105-A108 CarbonylContact O-C 3.54Å; S105-A108 VanDerWaalsContact O-CA 3.28Å; S105-A108 WeakPolarHBondContact O-CA 3.35Å; S105-A108 WeakPolarHBondContact O-CB 3.36Å; S105-A108 PolarHBondContact O-N 3.02Å; S105-A109 PolarHBondContact O-N 2.71Å
106D82.6Confident88.6Confident141 Ų14132.5 Ų32.575%0.75417%0.171SC*.G310 helixtrans58.5-143.7167.2-38.6-52000112.8A108 A109D106-A108 PolarHBondContact O-N 2.93Å; D106-A109 WeakPolarHBondContact O-CB 3.16Å; D106-A109 PolarHBondContact O-N 2.93Å
107E78.2Confident88.7Confident170 Ų17033.2 Ų33.279%0.79417%0.171SC*.G310 helixtrans-55.1-15.6172.7-165-179.3-163.100113.1
108A81.8Confident88.2Confident49 Ų4933.8 Ų33.841%0.40518%0.181SC..G310 helixtrans-102.923.7174.100000113.9R85 S105 D106R85-A108 VanDerWaalsContact NH1-C 3.27Å; R85-A108 PolarHBondContact NH1-O 3.39Å; S105-A108 CarbonylContact O-C 3.54Å; S105-A108 VanDerWaalsContact O-CA 3.28Å; S105-A108 WeakPolarHBondContact O-CA 3.35Å; S105-A108 WeakPolarHBondContact O-CB 3.36Å; S105-A108 PolarHBondContact O-N 3.02Å; D106-A108 PolarHBondContact O-N 2.93Å
109A88.2Confident87.6Confident3 Ų342.3 Ų42.33%0.02521%0.212CC..  trans-76137.9163.900000111.7Q102 S105 D106 H127Q102-A109 HydrophobicContact CG-CB 4.14Å; S105-A109 PolarHBondContact O-N 2.71Å; D106-A109 WeakPolarHBondContact O-CB 3.16Å; D106-A109 PolarHBondContact O-N 2.93Å; A109-H127 HydrophobicContact CB-CB 3.99Å; A109-H127 PolarHBondContact O-N 3.1Å
110Y93.2Very high87.2Confident42 Ų4242.7 Ų42.717%0.16522%0.216CC..EExtended strand (participates in β ladder)trans-121.5135.2161.1-75.5-48.1000109.3H81 L82 R85 F103 A125 D126 L132H81-Y110 HydrophobicContact CB-CD2 3.7Å; H81-Y110 HydrophobicContact CB-CE2 3.47Å; H81-Y110 VanDerWaalsContact CB-CE2 3.47Å; H81-Y110 HydrophobicContact CB-CG 4.38Å; H81-Y110 AromaticContact CG-CE2 3.88Å; H81-Y110 AromaticContact ND1-CE1 3.91Å; H81-Y110 AromaticContact ND1-CE2 3.49Å; H81-Y110 WeakPolarHBondContact ND1-CE2 3.38Å; H81-Y110 AromaticContact ND1-CZ 3.22Å; H81-Y110 PolarHBondContact ND1-OH 3.23Å; H81-Y110 VanDerWaalsContact O-CD2 3.29Å; H81-Y110 WeakPolarHBondContact O-CD2 3.38Å; H81-Y110 WeakPolarHBondContact O-CE2 3.44Å; L82-Y110 HydrophobicContact CD2-CD2 4.32Å; L82-Y110 HydrophobicContact CD2-CG 4.37Å; R85-Y110 VanDerWaalsContact NH1-CE2 3.34Å; F103-Y110 PolarHBondContact N-O 2.77Å; F103-Y110 PolarHBondContact O-N 3.09Å; Y110-A125 WeakPolarHBondContact CA-O 3.32Å; Y110-D126 HydrophobicContact CD1-CB 4.21Å; Y110-D126 HydrophobicContact CE1-CB 4.14Å; Y110-L132 HydrophobicContact CD1-CD1 3.87Å; Y110-L132 HydrophobicContact CE1-CD1 3.57Å
111H92.2Very high87Confident6 Ų642.7 Ų42.73%0.02822%0.216CC..EExtended strand (participates in β ladder)trans-103126.6-179-74.6-91.1000109.7D100 Q102 A125 D126 Y129D100-H111 WeakPolarHBondContact OD1-CB 3.21Å; D100-H111 IonicContact OD1-CG 3.26Å; D100-H111 IonicContact OD1-ND1 3.09Å; D100-H111 PolarHBondContact OD1-ND1 2.97Å; D100-H111 IonicContact OD2-CE1 3.34Å; D100-H111 IonicContact OD2-CG 2.72Å; D100-H111 IonicContact OD2-ND1 2.68Å; D100-H111 PolarHBondContact OD2-ND1 3.49Å; Q102-H111 PolarHBondContact NE2-CE1 3.2Å; Q102-H111 PolarHBondContact NE2-NE2 3.47Å; H111-A125 HydrophobicContact CB-CB 4.4Å; H111-A125 PolarHBondContact N-O 2.94Å; H111-A125 PolarHBondContact O-N 2.93Å; H111-D126 PolarHBondContact CD2-O 2.83Å; H111-Y129 HydrophobicContact CB-CD1 4.47Å; H111-Y129 HydrophobicContact CB-CE1 4.24Å; H111-Y129 AromaticContact CE1-CZ 3.74Å; H111-Y129 PolarHBondContact CE1-OH 2.78Å; H111-Y129 AromaticContact CG-CE1 3.86Å; H111-Y129 AromaticContact ND1-CE1 3.7Å; H111-Y129 AromaticContact ND1-CZ 3.69Å; H111-Y129 PolarHBondContact ND1-OH 3.24Å
112L93.1Very high86.9Confident4 Ų442.9 Ų42.92%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-111.4100.2173-176.272.6000108.6I39 I52 F74 L82 I101 F103 I122 I123 L124I39-L112 HydrophobicContact CD1-CD2 3.53Å; I52-L112 HydrophobicContact CD1-CD2 3.86Å; F74-L112 HydrophobicContact CZ-CD1 4.39Å; L82-L112 HydrophobicContact CD1-CD2 4.32Å; I101-L112 HydrophobicContact CB-CB 4.3Å; I101-L112 WeakPolarHBondContact CB-O 3.2Å; I101-L112 PolarHBondContact N-O 3.27Å; I101-L112 PolarHBondContact O-N 3.08Å; F103-L112 HydrophobicContact CD2-CB 4.32Å; F103-L112 HydrophobicContact CE2-CB 3.92Å; F103-L112 HydrophobicContact CE2-CD2 4.1Å; L112-I122 HydrophobicContact CD1-CG2 3.81Å; L112-I122 HydrophobicContact CG-CG2 4.33Å; L112-I123 CarbonylContact C-O 3.4Å; L112-I123 WeakPolarHBondContact CA-O 3.25Å; L112-L124 HydrophobicContact CD1-CB 4.39Å; L112-L124 HydrophobicContact CD1-CD1 4.45Å
113I91.8Very high86.8Confident0 Ų040.7 Ų40.70%021%0.207CC..EExtended strand (participates in β ladder)trans-92.5128.7-175.3-48.7175.1000108.8L93 I98 V99 I122 I123 Y129 Y153L93-I113 HydrophobicContact CD1-CG2 4.29Å; I98-I113 HydrophobicContact CG2-CG2 3.5Å; V99-I113 CarbonylContact O-C 3.59Å; V99-I113 WeakPolarHBondContact O-CA 3.22Å; I113-I122 WeakPolarHBondContact O-CA 3.19Å; I113-I123 HydrophobicContact CB-CB 4.33Å; I113-I123 PolarHBondContact N-O 3.17Å; I113-I123 PolarHBondContact O-N 3.18Å; I113-Y129 HydrophobicContact CD1-CD1 4.01Å; I113-Y129 HydrophobicContact CD1-CE1 4.42Å; I113-Y153 HydrophobicContact CD1-CD1 3.46Å; I113-Y153 VanDerWaalsContact CD1-CD1 3.46Å; I113-Y153 HydrophobicContact CD1-CD2 4.36Å; I113-Y153 HydrophobicContact CD1-CE1 3.89Å; I113-Y153 HydrophobicContact CD1-CG 3.71Å; I113-Y153 HydrophobicContact CG2-CE1 4.01Å
114V91.7Very high86.8Confident0 Ų040.7 Ų40.70%021%0.207CC..EExtended strand (participates in β ladder)trans-119.3112.9-176.3-174.10000109.2I52 I98 V99 I101 L116 I122I52-V114 HydrophobicContact CD1-CG2 4.42Å; I52-V114 HydrophobicContact CG2-CB 4.35Å; I52-V114 HydrophobicContact CG2-CG1 3.6Å; I52-V114 HydrophobicContact CG2-CG2 3.74Å; I98-V114 WeakPolarHBondContact CA-O 3.3Å; V99-V114 HydrophobicContact CB-CB 4.41Å; V99-V114 PolarHBondContact N-O 3.21Å; V99-V114 PolarHBondContact O-N 3.16Å; I101-V114 HydrophobicContact CD1-CG2 4.05Å; V114-L116 HydrophobicContact CG1-CD2 3.72Å; V114-L116 HydrophobicContact CG1-CG 4.13Å; V114-I122 HydrophobicContact CG2-CG2 4.45Å
115E89.8Confident86.9Confident0 Ų040.2 Ų40.20%020%0.202CC..EExtended strand (participates in β ladder)trans-91115.2176.4-65.2174.7176.800109.5G55 I98 Y117 G120 N121 R138 Y153G55-E115 PolarHBondContact N-O 2.95Å; I98-E115 HydrophobicContact CG1-CG 4.48Å; I98-E115 HydrophobicContact CG2-CG 4.49Å; E115-Y117 HydrophobicContact CB-CD1 4.1Å; E115-Y117 HydrophobicContact CB-CE1 3.83Å; E115-Y117 HydrophobicContact CG-CE1 3.94Å; E115-G120 WeakPolarHBondContact O-CA 3.43Å; E115-N121 HydrophobicContact CB-CB 4.17Å; E115-N121 HydrophobicContact CG-CB 4.3Å; E115-N121 PolarHBondContact N-O 3.07Å; E115-N121 PolarHBondContact O-N 2.95Å; E115-N121 WeakPolarHBondContact OE2-CB 3.49Å; E115-R138 IonicContact OE1-NH2 2.7Å; E115-R138 IonicContact OE2-CZ 3.27Å; E115-R138 IonicContact OE2-NE 3.83Å; E115-R138 IonicContact OE2-NH2 2.73Å; E115-R138 PolarHBondContact OE2-NH2 2.98Å; E115-Y153 WeakPolarHBondContact OE1-CE2 3.48Å; E115-Y153 PolarHBondContact OE1-OH 3.1Å
116L87.2Confident87.3Confident1 Ų138.7 Ų38.71%0.00519%0.189CC..  trans-100.317.6-175.8-61.8176.7000113.4I10 F58 R97 V99 V114I10-L116 HydrophobicContact CD1-CB 4.46Å; I10-L116 HydrophobicContact CD1-CD1 3.77Å; I10-L116 HydrophobicContact CG1-CD1 3.93Å; F58-L116 HydrophobicContact CB-CD1 4.4Å; R97-L116 HydrophobicContact CB-CB 4.27Å; R97-L116 WeakPolarHBondContact O-CB 3.37Å; R97-L116 PolarHBondContact O-N 2.83Å; V99-L116 HydrophobicContact CG2-CD1 4.05Å; V114-L116 HydrophobicContact CG1-CD2 3.72Å; V114-L116 HydrophobicContact CG1-CG 4.13Å
117Y81.5Confident87.6Confident60 Ų6035.9 Ų35.924%0.23517%0.171CC..SBendtrans-115.2161.2-179.769.4-83.3000113.5I98 E115 R119 G120 R138I98-Y117 HydrophobicContact CD1-CE1 4.02Å; I98-Y117 HydrophobicContact CG1-CD1 4.29Å; I98-Y117 HydrophobicContact CG1-CE1 3.92Å; E115-Y117 HydrophobicContact CB-CD1 4.1Å; E115-Y117 HydrophobicContact CB-CE1 3.83Å; E115-Y117 HydrophobicContact CG-CE1 3.94Å; Y117-R119 PolarHBondContact O-N 2.8Å; Y117-R119 VanDerWaalsContact O-N 3.14Å; Y117-G120 VanDerWaalsContact O-CA 3.31Å; Y117-G120 WeakPolarHBondContact O-CA 3.47Å; Y117-G120 PolarHBondContact O-N 3.12Å; Y117-R138 VanDerWaalsContact CZ-NH2 3.3Å; Y117-R138 PolarHBondContact OH-NH2 3.03Å
118D76.8Confident88Confident103 Ų10333.2 Ų33.255%0.55116%0.159SC*.THydrogen-bonded Turntrans41.5-109.6-172178.647.2000114.6R4R4-D118 PolarHBondContact NH1-O 3.05Å; R4-D118 PolarHBondContact NH2-O 3.03Å
119R76.6Confident88.3Confident190 Ų19032.4 Ų32.472%0.71715%0.146SC*.THydrogen-bonded Turntrans-90.7-15.4177.6-71.4166.3178.6-156.21.3112S54 Y117 R136S54-R119 PolarHBondContact OG-O 2.84Å; Y117-R119 PolarHBondContact O-N 2.8Å; Y117-R119 VanDerWaalsContact O-N 3.14Å; R119-R136 PolarHBondContact O-NH1 3.06Å
120G82.6Confident88.3Confident8 Ų833.8 Ų33.88%0.08215%0.153CC..  trans70.6163.6-176.400000115.4S54 G55 E115 Y117 R136S54-G120 PolarHBondContact OG-O 3.37Å; G55-G120 VanDerWaalsContact CA-CA 3.47Å; E115-G120 WeakPolarHBondContact O-CA 3.43Å; Y117-G120 VanDerWaalsContact O-CA 3.31Å; Y117-G120 WeakPolarHBondContact O-CA 3.47Å; Y117-G120 PolarHBondContact O-N 3.12Å; G120-R136 PolarHBondContact O-NH1 3.13Å
121N88.8Confident88.2Confident2 Ų231.8 Ų31.81%0.01115%0.146CC..EExtended strand (participates in β ladder)trans-145.7161.8173.1-151.7-3.7000109.1E115 I123 L135 R136E115-N121 HydrophobicContact CB-CB 4.17Å; E115-N121 HydrophobicContact CG-CB 4.3Å; E115-N121 PolarHBondContact N-O 3.07Å; E115-N121 PolarHBondContact O-N 2.95Å; E115-N121 WeakPolarHBondContact OE2-CB 3.49Å; N121-I123 HydrophobicContact CB-CD1 4.45Å; N121-I123 HydrophobicContact CB-CG1 4.39Å; N121-L135 WeakPolarHBondContact OD1-CB 3.18Å; N121-L135 PolarHBondContact OD1-N 2.95Å; N121-R136 PolarHBondContact ND2-O 2.96Å; N121-R136 PolarHBondContact OD1-N 3.47Å
122I90.7Very high88Confident3 Ų333.9 Ų33.92%0.01516%0.157CC..EExtended strand (participates in β ladder)trans-134.2127.2168.6-51.2177.5000106.1Y37 I52 F74 L112 I113 V114 L134 L135Y37-I122 HydrophobicContact CD2-CD1 3.6Å; Y37-I122 HydrophobicContact CE2-CD1 4Å; I52-I122 HydrophobicContact CG2-CD1 3.89Å; F74-I122 HydrophobicContact CE1-CB 4.42Å; F74-I122 HydrophobicContact CE1-CG2 4Å; F74-I122 VanDerWaalsContact CE2-O 3.23Å; F74-I122 WeakPolarHBondContact CE2-O 3.46Å; F74-I122 HydrophobicContact CZ-CB 3.95Å; F74-I122 HydrophobicContact CZ-CG2 3.65Å; L112-I122 HydrophobicContact CD1-CG2 3.81Å; L112-I122 HydrophobicContact CG-CG2 4.33Å; I113-I122 WeakPolarHBondContact O-CA 3.19Å; V114-I122 HydrophobicContact CG2-CG2 4.45Å; I122-L134 CarbonylContact O-C 3.41Å; I122-L134 WeakPolarHBondContact O-CA 3.45Å; I122-L135 HydrophobicContact CB-CB 4.33Å; I122-L135 HydrophobicContact CB-CD2 4.44Å; I122-L135 HydrophobicContact CD1-CD2 4.25Å; I122-L135 HydrophobicContact CG1-CD2 4.13Å; I122-L135 PolarHBondContact O-N 3.09Å
123I91.3Very high87.8Confident0 Ų034.7 Ų34.70%016%0.161CC..EExtended strand (participates in β ladder)trans-129.7126.3-167.4-60.1171.6000107.9L112 I113 N121 I131 L134 I147 Y153L112-I123 CarbonylContact C-O 3.4Å; L112-I123 WeakPolarHBondContact CA-O 3.25Å; I113-I123 HydrophobicContact CB-CB 4.33Å; I113-I123 PolarHBondContact N-O 3.17Å; I113-I123 PolarHBondContact O-N 3.18Å; N121-I123 HydrophobicContact CB-CD1 4.45Å; N121-I123 HydrophobicContact CB-CG1 4.39Å; I123-I131 HydrophobicContact CG2-CB 4.35Å; I123-I131 HydrophobicContact CG2-CD1 4.27Å; I123-I131 HydrophobicContact CG2-CG1 3.82Å; I123-I131 HydrophobicContact CG2-CG2 3.74Å; I123-L134 HydrophobicContact CG1-CB 4.1Å; I123-I147 HydrophobicContact CD1-CG2 4.04Å; I123-Y153 HydrophobicContact CD1-CD2 3.73Å; I123-Y153 HydrophobicContact CD1-CE2 3.34Å; I123-Y153 HydrophobicContact CG2-CD2 4.44Å
124L92.2Very high87.7Confident0 Ų035.1 Ų35.10%016%0.164CC..EExtended strand (participates in β ladder)trans-102.9117.9174.7175.768.1000108H81 L82 L112 L132 N133H81-L124 HydrophobicContact CB-CD2 4.16Å; L82-L124 HydrophobicContact CD1-CD1 4.41Å; L82-L124 HydrophobicContact CD2-CD1 3.75Å; L82-L124 HydrophobicContact CG-CD1 4.18Å; L112-L124 HydrophobicContact CD1-CB 4.39Å; L112-L124 HydrophobicContact CD1-CD1 4.45Å; L124-L132 HydrophobicContact CG-CB 4.46Å; L124-L132 WeakPolarHBondContact O-CA 3.48Å; L124-L132 WeakPolarHBondContact O-CB 3.48Å; L124-L132 PolarHBondContact O-N 2.86Å; L124-N133 PolarHBondContact N-O 3.21Å; L124-N133 PolarHBondContact O-N 2.66Å; L124-N133 VanDerWaalsContact O-N 3.1Å
125A91.8Very high87.3Confident0 Ų036.9 Ų36.90%017%0.173CC..EExtended strand (participates in β ladder)trans-125.6166-179.700000111.9Y110 H111 T130Y110-A125 WeakPolarHBondContact CA-O 3.32Å; H111-A125 HydrophobicContact CB-CB 4.4Å; H111-A125 PolarHBondContact N-O 2.94Å; H111-A125 PolarHBondContact O-N 2.93Å; A125-T130 CarbonylContact C-O 3.47Å; A125-T130 WeakPolarHBondContact CA-O 3.35Å; A125-T130 WeakPolarHBondContact CB-O 3.49Å
126D91.2Very high87Confident30 Ų3040.6 Ų40.616%0.1619%0.187CC..EExtended strand (participates in β ladder)trans-90.3-173.4170.260.631.4000113.5Y110 H111 E128 Y129 T130 L132Y110-D126 HydrophobicContact CD1-CB 4.21Å; Y110-D126 HydrophobicContact CE1-CB 4.14Å; H111-D126 PolarHBondContact CD2-O 2.83Å; D126-E128 PolarHBondContact O-N 3.14Å; D126-E128 PolarHBondContact OD1-N 2.63Å; D126-E128 VanDerWaalsContact OD1-N 3.15Å; D126-Y129 WeakPolarHBondContact O-CA 3.4Å; D126-Y129 PolarHBondContact O-N 3.29Å; D126-T130 PolarHBondContact N-O 3.45Å; D126-T130 WeakPolarHBondContact OD1-CB 3.35Å; D126-T130 PolarHBondContact OD1-N 2.94Å; D126-T130 WeakPolarHBondContact OD2-CB 3.41Å; D126-L132 HydrophobicContact CB-CD1 4.41Å
127H89.1Confident86.5Confident83 Ų8347.7 Ų47.738%0.38422%0.218SC..THydrogen-bonded Turntrans-64.8-20.5-176.977.3-80.5000113.9A109 Y129A109-H127 HydrophobicContact CB-CB 3.99Å; A109-H127 PolarHBondContact O-N 3.1Å; H127-Y129 VanDerWaalsContact C-N 3.28Å
128E87.5Confident86Confident113 Ų11347.3 Ų47.353%0.52822%0.216SC..THydrogen-bonded Turntrans-87.9-0.6173.9-59.2-169.3145.500112.7D126 T130 R152D126-E128 PolarHBondContact O-N 3.14Å; D126-E128 PolarHBondContact OD1-N 2.63Å; D126-E128 VanDerWaalsContact OD1-N 3.15Å; E128-T130 VanDerWaalsContact C-N 3.33Å; E128-R152 PolarHBondContact O-NE 3.03Å
129Y87.8Confident85.3Confident33 Ų3347 Ų4713%0.12922%0.217CC..  trans67.823.5-167.1-64-97.1000114.1K91 D100 H111 I113 D126 H127 Y153 V155K91-Y129 PolarHBondContact NZ-OH 3.22Å; D100-Y129 WeakPolarHBondContact OD2-CE1 3.43Å; D100-Y129 PolarHBondContact OD2-OH 3.05Å; H111-Y129 HydrophobicContact CB-CD1 4.47Å; H111-Y129 HydrophobicContact CB-CE1 4.24Å; H111-Y129 AromaticContact CE1-CZ 3.74Å; H111-Y129 PolarHBondContact CE1-OH 2.78Å; H111-Y129 AromaticContact CG-CE1 3.86Å; H111-Y129 AromaticContact ND1-CE1 3.7Å; H111-Y129 AromaticContact ND1-CZ 3.69Å; H111-Y129 PolarHBondContact ND1-OH 3.24Å; I113-Y129 HydrophobicContact CD1-CD1 4.01Å; I113-Y129 HydrophobicContact CD1-CE1 4.42Å; D126-Y129 WeakPolarHBondContact O-CA 3.4Å; D126-Y129 PolarHBondContact O-N 3.29Å; H127-Y129 VanDerWaalsContact C-N 3.28Å; Y129-Y153 PolarHBondContact O-N 3.27Å; Y129-V155 HydrophobicContact CD1-CG2 3.48Å; Y129-V155 VanDerWaalsContact CD1-CG2 3.48Å; Y129-V155 HydrophobicContact CD2-CG2 4.33Å; Y129-V155 HydrophobicContact CE1-CG2 3.85Å; Y129-V155 HydrophobicContact CG-CG2 3.77Å
130T88.3Confident84.3Confident31 Ų3140.9 Ų40.919%0.1921%0.208CC..BIsolated β-bridgetrans-78.2128.1174.7-59.90000111A125 D126 E128 L132A125-T130 CarbonylContact C-O 3.47Å; A125-T130 WeakPolarHBondContact CA-O 3.35Å; A125-T130 WeakPolarHBondContact CB-O 3.49Å; D126-T130 PolarHBondContact N-O 3.45Å; D126-T130 WeakPolarHBondContact OD1-CB 3.35Å; D126-T130 PolarHBondContact OD1-N 2.94Å; D126-T130 WeakPolarHBondContact OD2-CB 3.41Å; E128-T130 VanDerWaalsContact C-N 3.33Å; T130-L132 PolarHBondContact O-N 2.67Å
131I90.9Very high82.9Confident1 Ų149 Ų491%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-78109.3-168.6-59.9165.1000111.1I123 L134 I147 R150 E151 Y153I123-I131 HydrophobicContact CG2-CB 4.35Å; I123-I131 HydrophobicContact CG2-CD1 4.27Å; I123-I131 HydrophobicContact CG2-CG1 3.82Å; I123-I131 HydrophobicContact CG2-CG2 3.74Å; I131-L134 HydrophobicContact CG2-CB 4.18Å; I131-L134 HydrophobicContact CG2-CD2 3.99Å; I131-L134 HydrophobicContact CG2-CG 4.45Å; I131-I147 HydrophobicContact CD1-CG2 3.78Å; I131-R150 PolarHBondContact O-N 3.1Å; I131-E151 WeakPolarHBondContact CB-O 3.31Å; I131-E151 VanDerWaalsContact CG1-O 3.27Å; I131-E151 WeakPolarHBondContact CG1-O 3.09Å; I131-E151 PolarHBondContact N-O 2.65Å; I131-Y153 HydrophobicContact CD1-CD2 4.15Å
132L87.4Confident81.2Confident50 Ų5053.4 Ų53.426%0.26228%0.28SS..EExtended strand (participates in β ladder)trans-79.9-34.8176.2-56.2178.2000112.3Y110 L124 D126 T130 V149Y110-L132 HydrophobicContact CD1-CD1 3.87Å; Y110-L132 HydrophobicContact CE1-CD1 3.57Å; L124-L132 HydrophobicContact CG-CB 4.46Å; L124-L132 WeakPolarHBondContact O-CA 3.48Å; L124-L132 WeakPolarHBondContact O-CB 3.48Å; L124-L132 PolarHBondContact O-N 2.86Å; D126-L132 HydrophobicContact CB-CD1 4.41Å; T130-L132 PolarHBondContact O-N 2.67Å; L132-V149 WeakPolarHBondContact O-CG1 3.48Å
133N88.9Confident79.5Confident21 Ų2158 Ų5811%0.11230%0.302CS..EExtended strand (participates in β ladder)trans-162.2154.6174.6-158.769.6000111.8F74 K77 L124F74-N133 WeakPolarHBondContact CD2-ND2 3.43Å; K77-N133 HydrophobicContact CD-CB 3.68Å; K77-N133 VanDerWaalsContact CD-OD1 3.24Å; K77-N133 WeakPolarHBondContact CD-OD1 3.5Å; K77-N133 WeakPolarHBondContact CE-OD1 3.27Å; K77-N133 PolarHBondContact NZ-OD1 2.74Å; L124-N133 PolarHBondContact N-O 3.21Å; L124-N133 PolarHBondContact O-N 2.66Å; L124-N133 VanDerWaalsContact O-N 3.1Å
134L89.1Confident77.7Confident9 Ų966.1 Ų66.15%0.04735%0.345CS..EExtended strand (participates in β ladder)trans-141.4157.7-178.455.184.9000110.2I122 I123 I131 R136 F137 I147 V149I122-L134 CarbonylContact O-C 3.41Å; I122-L134 WeakPolarHBondContact O-CA 3.45Å; I123-L134 HydrophobicContact CG1-CB 4.1Å; I131-L134 HydrophobicContact CG2-CB 4.18Å; I131-L134 HydrophobicContact CG2-CD2 3.99Å; I131-L134 HydrophobicContact CG2-CG 4.45Å; L134-R136 WeakPolarHBondContact CD1-O 3.42Å; L134-F137 HydrophobicContact CD1-CB 4.29Å; L134-F137 HydrophobicContact CD1-CD1 3.7Å; L134-F137 HydrophobicContact CD1-CD2 4.05Å; L134-F137 HydrophobicContact CD1-CE1 3.94Å; L134-F137 HydrophobicContact CD1-CE2 4.27Å; L134-F137 HydrophobicContact CD1-CG 3.75Å; L134-F137 HydrophobicContact CD1-CZ 4.21Å; L134-F137 VanDerWaalsContact CD1-N 3.33Å; L134-F137 HydrophobicContact CD2-CD1 4.24Å; L134-F137 HydrophobicContact CD2-CE1 4.47Å; L134-F137 HydrophobicContact CG-CD1 4.44Å; L134-F137 HydrophobicContact CG-CE1 4.45Å; L134-I147 HydrophobicContact CD2-CG2 4.37Å; L134-I147 WeakPolarHBondContact CD2-O 3.15Å; L134-V149 HydrophobicContact CD2-CG2 3.86Å; L134-V149 HydrophobicContact CG-CG2 3.91Å
135L84.6Confident76.4Confident36 Ų3669.1 Ų69.119%0.18836%0.363CS..SBendtrans-84.1-36-177.2-17562.5000112.4Y37 F74 N121 I122Y37-L135 HydrophobicContact CE2-CD1 4.18Å; Y37-L135 HydrophobicContact CE2-CD2 4.21Å; Y37-L135 WeakPolarHBondContact OH-CD1 3.43Å; F74-L135 HydrophobicContact CD2-CB 4.33Å; F74-L135 HydrophobicContact CD2-CD1 4.45Å; F74-L135 HydrophobicContact CE2-CB 4.35Å; N121-L135 WeakPolarHBondContact OD1-CB 3.18Å; N121-L135 PolarHBondContact OD1-N 2.95Å; I122-L135 HydrophobicContact CB-CB 4.33Å; I122-L135 HydrophobicContact CB-CD2 4.44Å; I122-L135 HydrophobicContact CD1-CD2 4.25Å; I122-L135 HydrophobicContact CG1-CD2 4.13Å; I122-L135 PolarHBondContact O-N 3.09Å
136R82.1Confident75.2Confident79 Ų7974.6 Ų74.630%0.29839%0.387SS..SBendtrans-142.6129.1173.1-57.3-168.6-157.2107.114.3111.1S54 R119 G120 N121 L134S54-R136 PolarHBondContact OG-NH2 3.01Å; R119-R136 PolarHBondContact O-NH1 3.06Å; G120-R136 PolarHBondContact O-NH1 3.13Å; N121-R136 PolarHBondContact ND2-O 2.96Å; N121-R136 PolarHBondContact OD1-N 3.47Å; L134-R136 WeakPolarHBondContact CD1-O 3.42Å
137F76.7Confident74.6Confident149 Ų14973.5 Ų73.565%0.65438%0.381SS*.  trans-66.1139.7174.3-58.4-90.3000109.9L134 V149L134-F137 HydrophobicContact CD1-CB 4.29Å; L134-F137 HydrophobicContact CD1-CD1 3.7Å; L134-F137 HydrophobicContact CD1-CD2 4.05Å; L134-F137 HydrophobicContact CD1-CE1 3.94Å; L134-F137 HydrophobicContact CD1-CE2 4.27Å; L134-F137 HydrophobicContact CD1-CG 3.75Å; L134-F137 HydrophobicContact CD1-CZ 4.21Å; L134-F137 VanDerWaalsContact CD1-N 3.33Å; L134-F137 HydrophobicContact CD2-CD1 4.24Å; L134-F137 HydrophobicContact CD2-CE1 4.47Å; L134-F137 HydrophobicContact CG-CD1 4.44Å; L134-F137 HydrophobicContact CG-CE1 4.45Å; F137-V149 HydrophobicContact CE1-CG2 4.09Å
138R71.6Confident74.1Confident53 Ų5370.5 Ų70.520%0.237%0.371CS..BIsolated β-bridgetrans-108.4116.3162.7-58.7-165.6-163.1-161.78.2108.6E115 Y117 E143 I147E115-R138 IonicContact OE1-NH2 2.7Å; E115-R138 IonicContact OE2-CZ 3.27Å; E115-R138 IonicContact OE2-NE 3.83Å; E115-R138 IonicContact OE2-NH2 2.73Å; E115-R138 PolarHBondContact OE2-NH2 2.98Å; Y117-R138 VanDerWaalsContact CZ-NH2 3.3Å; Y117-R138 PolarHBondContact OH-NH2 3.03Å; R138-E143 WeakPolarHBondContact CD-OE2 3.42Å; R138-E143 IonicContact CZ-OE2 3.34Å; R138-E143 IonicContact NH1-OE1 3.22Å; R138-E143 PolarHBondContact NH1-OE1 3.41Å; R138-E143 IonicContact NH1-OE2 2.67Å; R138-E143 PolarHBondContact NH1-OE2 3.43Å; R138-I147 HydrophobicContact CB-CB 4.21Å; R138-I147 HydrophobicContact CB-CG1 4.42Å; R138-I147 HydrophobicContact CG-CD1 4.38Å; R138-I147 PolarHBondContact N-O 3.03Å; R138-I147 PolarHBondContact O-N 2.68Å
139T61.6Low73.9Confident95 Ų9567.5 Ų67.558%0.58336%0.36SS*.  trans-82.1146.1167.142.90000109.5E141T139-E141 PolarHBondContact O-N 3.22Å
140A56.1Low73.6Confident62 Ų6275.3 Ų75.351%0.51239%0.389SS..THydrogen-bonded Turntrans-74.730.7-174.500000114.2K146A140-K146 HydrophobicContact CB-CB 4.39Å
141E54Low73.5Confident179 Ų17976.4 Ų76.484%0.83639%0.392SS*.THydrogen-bonded Turntrans-92.9-4.9177.8-63.8174.5141.400112.2T139T139-E141 PolarHBondContact O-N 3.22Å
142A52.5Low73.2Confident94 Ų9483.7 Ų83.778%0.77742%0.42SS*.SBendtrans-131.7-25.8-174.700000114.7
143E54.4Low73Confident100 Ų10081.9 Ų81.947%0.46741%0.41SS..SBendtrans-146.1145.8178.2-67.4169.4138.700107.5R138 V145R138-E143 WeakPolarHBondContact CD-OE2 3.42Å; R138-E143 IonicContact CZ-OE2 3.34Å; R138-E143 IonicContact NH1-OE1 3.22Å; R138-E143 PolarHBondContact NH1-OE1 3.41Å; R138-E143 IonicContact NH1-OE2 2.67Å; R138-E143 PolarHBondContact NH1-OE2 3.43Å; E143-V145 PolarHBondContact O-N 3.02Å
144D54.7Low72.5Confident171 Ų17182.7 Ų82.791%0.91442%0.416SS*.SBendtrans-63.8-9.8-174.5-70.9-56000114.9
145V63.3Low71.7Confident62 Ų6284.4 Ų84.438%0.37643%0.427SS..SBendtrans-111.3112.4-175.1-1650000111.4E143 P154E143-V145 PolarHBondContact O-N 3.02Å; V145-P154 HydrophobicContact CG1-CB 3.92Å; V145-P154 HydrophobicContact CG1-CG 3.75Å
146K67.8Low70.8Confident115 Ų11590.7 Ų90.750%0.546%0.455SS..  trans-71136.8174.2-169.8-174.7169.9-159.10110.4A140 E151A140-K146 HydrophobicContact CB-CB 4.39Å; K146-E151 WeakPolarHBondContact CD-OE1 3.47Å; K146-E151 WeakPolarHBondContact CE-OE1 3.42Å; K146-E151 WeakPolarHBondContact CG-OE2 3.48Å; K146-E151 IonicContact NZ-OE1 3.96Å; K146-E151 PolarHBondContact NZ-OE1 2.88Å
147I77.6Confident70Confident8 Ų890.8 Ų90.84%0.04147%0.468CS..BIsolated β-bridgetrans-12787.1176.1-50.8-176.7000108.9I123 I131 L134 R138 Y153I123-I147 HydrophobicContact CD1-CG2 4.04Å; I131-I147 HydrophobicContact CD1-CG2 3.78Å; L134-I147 HydrophobicContact CD2-CG2 4.37Å; L134-I147 WeakPolarHBondContact CD2-O 3.15Å; R138-I147 HydrophobicContact CB-CB 4.21Å; R138-I147 HydrophobicContact CB-CG1 4.42Å; R138-I147 HydrophobicContact CG-CD1 4.38Å; R138-I147 PolarHBondContact N-O 3.03Å; R138-I147 PolarHBondContact O-N 2.68Å; I147-Y153 HydrophobicContact CD1-CE2 4.37Å
148A79.9Confident69.4Low20 Ų2084.6 Ų84.617%0.16544%0.444CS..  trans-116.4177173.600000113.2E151A148-E151 HydrophobicContact CB-CG 4.45Å; A148-E151 WeakPolarHBondContact CB-OE2 3.14Å; A148-E151 PolarHBondContact N-OE2 2.79Å
149V81.9Confident69.1Low50 Ų5089.6 Ų89.630%0.30346%0.463SS..THydrogen-bonded Turntrans-79.9141.4178.8179.20000109.8L132 L134 F137 E151L132-V149 WeakPolarHBondContact O-CG1 3.48Å; L134-V149 HydrophobicContact CD2-CG2 3.86Å; L134-V149 HydrophobicContact CG-CG2 3.91Å; F137-V149 HydrophobicContact CE1-CG2 4.09Å; V149-E151 VanDerWaalsContact C-N 3.26Å
150R83.3Confident69.2Low196 Ų19689.6 Ų89.674%0.7446%0.464SS*.THydrogen-bonded Turntrans69.19.5-168.2-52-179.5-175.5159.63.1115.3I131 E850I131-R150 PolarHBondContact O-N 3.1Å; R150-E850 IonicContact NH2-OE1 3.41Å
151E85Confident69.4Low55 Ų5591.7 Ų91.726%0.25747%0.473SS..SBendtrans-97.4155.1169.9-65.8176163.500110.3I131 K146 A148 V149I131-E151 WeakPolarHBondContact CB-O 3.31Å; I131-E151 VanDerWaalsContact CG1-O 3.27Å; I131-E151 WeakPolarHBondContact CG1-O 3.09Å; I131-E151 PolarHBondContact N-O 2.65Å; K146-E151 WeakPolarHBondContact CD-OE1 3.47Å; K146-E151 WeakPolarHBondContact CE-OE1 3.42Å; K146-E151 WeakPolarHBondContact CG-OE2 3.48Å; K146-E151 IonicContact NZ-OE1 3.96Å; K146-E151 PolarHBondContact NZ-OE1 2.88Å; A148-E151 HydrophobicContact CB-CG 4.45Å; A148-E151 WeakPolarHBondContact CB-OE2 3.14Å; A148-E151 PolarHBondContact N-OE2 2.79Å; V149-E151 VanDerWaalsContact C-N 3.26Å
152R84.2Confident69.6Low154 Ų15488.8 Ų88.858%0.58146%0.46SS*.BIsolated β-bridgetrans-82.4131.9178.7-167.6177.8-176.1-128.61.2110.1E128 E156E128-R152 PolarHBondContact O-NE 3.03Å; R152-E156 IonicContact NH1-OE1 3.81Å
153Y83.7Confident69.8Low12 Ų1289.4 Ų89.45%0.04746%0.456CS..PPolyproline II helixtrans-69.4134179.5-171.8-98.8000111L93 I113 E115 I123 Y129 I131 I147 V155L93-Y153 HydrophobicContact CD1-CE1 4.36Å; I113-Y153 HydrophobicContact CD1-CD1 3.46Å; I113-Y153 VanDerWaalsContact CD1-CD1 3.46Å; I113-Y153 HydrophobicContact CD1-CD2 4.36Å; I113-Y153 HydrophobicContact CD1-CE1 3.89Å; I113-Y153 HydrophobicContact CD1-CG 3.71Å; I113-Y153 HydrophobicContact CG2-CE1 4.01Å; E115-Y153 WeakPolarHBondContact OE1-CE2 3.48Å; E115-Y153 PolarHBondContact OE1-OH 3.1Å; I123-Y153 HydrophobicContact CD1-CD2 3.73Å; I123-Y153 HydrophobicContact CD1-CE2 3.34Å; I123-Y153 HydrophobicContact CG2-CD2 4.44Å; Y129-Y153 PolarHBondContact O-N 3.27Å; I131-Y153 HydrophobicContact CD1-CD2 4.15Å; I147-Y153 HydrophobicContact CD1-CE2 4.37Å; Y153-V155 VanDerWaalsContact C-N 3.28Å; Y153-V155 HydrophobicContact CD1-CG2 4.03Å; Y153-V155 PolarHBondContact O-N 2.83Å
154P78.7Confident70Confident37 Ų3787.7 Ų87.724%0.2445%0.449CS..  trans-78.568.3-174.835.8-41.8000112.2V145 E156 S157V145-P154 HydrophobicContact CG1-CB 3.92Å; V145-P154 HydrophobicContact CG1-CG 3.75Å; P154-E156 PolarHBondContact O-N 3.07Å; P154-S157 WeakPolarHBondContact O-CB 3.37Å; P154-S157 PolarHBondContact O-N 3.22Å
155V72.3Confident70.5Confident46 Ų4679.9 Ų79.928%0.27941%0.407SS..G310 helixtrans-55.5-34.8177.2-177.80000111.6L93 Y129 Y153 S157 A158L93-V155 HydrophobicContact CD1-CG1 4.42Å; L93-V155 HydrophobicContact CD2-CG1 4.24Å; Y129-V155 HydrophobicContact CD1-CG2 3.48Å; Y129-V155 VanDerWaalsContact CD1-CG2 3.48Å; Y129-V155 HydrophobicContact CD2-CG2 4.33Å; Y129-V155 HydrophobicContact CE1-CG2 3.85Å; Y129-V155 HydrophobicContact CG-CG2 3.77Å; Y153-V155 VanDerWaalsContact C-N 3.28Å; Y153-V155 HydrophobicContact CD1-CG2 4.03Å; Y153-V155 PolarHBondContact O-N 2.83Å; V155-S157 PolarHBondContact O-N 3.29Å; V155-A158 WeakPolarHBondContact O-CB 3.44Å; V155-A158 PolarHBondContact O-N 2.88Å
156E65.1Low70.7Confident168 Ų16880.8 Ų80.879%0.78541%0.413SS*.G310 helixtrans-68.3-12.1178.3-66.4159.1-14100113.8R152 P154 A158R152-E156 IonicContact NH1-OE1 3.81Å; P154-E156 PolarHBondContact O-N 3.07Å; E156-A158 VanDerWaalsContact C-N 3.34Å
157S66Low70.5Confident81 Ų8179.1 Ų79.157%0.56641%0.409SS*.G310 helixtrans-83.3-6.7174.4-173.60000113.5P154 V155P154-S157 WeakPolarHBondContact O-CB 3.37Å; P154-S157 PolarHBondContact O-N 3.22Å; V155-S157 PolarHBondContact O-N 3.29Å
158A64.4Low70Confident19 Ų1984.2 Ų84.216%0.15744%0.437CS..SBendtrans-74.4133.6175.900000110.6L93 V155 E156L93-A158 HydrophobicContact CB-CB 4.2Å; V155-A158 WeakPolarHBondContact O-CB 3.44Å; V155-A158 PolarHBondContact O-N 2.88Å; E156-A158 VanDerWaalsContact C-N 3.34Å
159R65.6Low69.5Low157 Ų15788.1 Ų88.159%0.59245%0.447SS*.PPolyproline II helixtrans-59.2123.5-177.9-68174.4-174.9-145.2-0.2110.8G94 I95 D96G94-R159 CarbonylContact C-O 3.55Å; G94-R159 WeakPolarHBondContact CA-O 3.38Å; I95-R159 PolarHBondContact N-O 3.4Å; D96-R159 IonicContact OD1-NE 3.31Å; D96-R159 WeakPolarHBondContact OD2-CB 3.34Å; D96-R159 VanDerWaalsContact OD2-CG 3.32Å; D96-R159 WeakPolarHBondContact OD2-CG 3.41Å; D96-R159 PolarHBondContact OD2-N 3.11Å
160P62.9Low69Low95 Ų9585.8 Ų85.862%0.61743%0.433SS*.PPolyproline II helixtrans-66.9162.1171.830.6-35.4000110.5I95 E162I95-P160 WeakPolarHBondContact CD1-O 3.22Å; P160-E162 PolarHBondContact O-N 3.21Å
161P60.3Low68.3Low106 Ų10678.7 Ų78.769%0.68841%0.414SS*.  trans-62.4101.5167.827-33.2000110.6
162E59.1Low67.7Low119 Ų11980.8 Ų80.856%0.55642%0.423SS*.  trans-68.5136.2164-91.6-172.2-115.600109.2P160 R169P160-E162 PolarHBondContact O-N 3.21Å; E162-R169 IonicContact OE2-CZ 3.53Å; E162-R169 IonicContact OE2-NH1 3.43Å; E162-R169 PolarHBondContact OE2-NH1 2.79Å; E162-R169 IonicContact OE2-NH2 2.69Å; E162-R169 PolarHBondContact OE2-NH2 3.2Å
163P55.9Low67.2Low107 Ų10774.2 Ų74.270%0.69540%0.4SS*.  trans-69.9167.717331.4-35.9000111.7
164L59.4Low66.7Low63 Ų6374.1 Ų74.133%0.3340%0.4SS..  trans-42.6137.3178.9-76.8171.5000114.1T166 L230 Q231 E234L164-T166 PolarHBondContact O-N 3.25Å; L164-L230 HydrophobicContact CD2-CB 4.35Å; L164-Q231 HydrophobicContact CD1-CG 4.19Å; L164-E234 WeakPolarHBondContact CD1-OE2 3.3Å; L164-E234 WeakPolarHBondContact CD2-OE2 3.3Å; L164-E234 VanDerWaalsContact CG-OE2 3.25Å; L164-E234 WeakPolarHBondContact CG-OE2 3.34Å
165I64.7Low66.3Low8 Ų876.6 Ų76.64%0.04142%0.418CS..  trans-65.9119.8172.1-58-175.3000108.6R169 L170 I173 H190 L191I165-R169 HydrophobicContact CG2-CB 3.77Å; I165-R169 HydrophobicContact CG2-CG 3.9Å; I165-L170 HydrophobicContact CG2-CB 3.95Å; I165-L170 HydrophobicContact CG2-CD1 4.33Å; I165-I173 HydrophobicContact CD1-CD1 4.08Å; I165-I173 HydrophobicContact CG2-CD1 4.37Å; I165-H190 HydrophobicContact CD1-CB 4.22Å; I165-L191 HydrophobicContact CD1-CD2 3.57Å; I165-L191 HydrophobicContact CD1-CG 4.27Å; I165-L191 HydrophobicContact CG1-CD2 4.12Å
166T66.9Low66.3Low81 Ų8181.4 Ų81.450%0.49744%0.435SS..  trans-62.7152.7173.953.50000111.4L164 D168 R169 L170L164-T166 PolarHBondContact O-N 3.25Å; T166-D168 PolarHBondContact O-N 2.78Å; T166-D168 VanDerWaalsContact O-N 3.14Å; T166-R169 PolarHBondContact O-N 3.31Å; T166-R169 WeakPolarHBondContact OG1-CB 3.36Å; T166-L170 PolarHBondContact O-N 2.84Å
167L64Low66.5Low79 Ų7974.4 Ų74.441%0.41441%0.406SS..Hα-helixtrans-51.2-40179.2-73.6169.9000112.4L170 S171 L227L167-L170 PolarHBondContact O-N 3.03Å; L167-S171 WeakPolarHBondContact O-CB 3.07Å; L167-S171 PolarHBondContact O-N 2.99Å; L167-L227 HydrophobicContact CD1-CD2 4.44Å; L167-L227 HydrophobicContact CD2-CB 3.95Å; L167-L227 HydrophobicContact CD2-CD2 3.89Å; L167-L227 HydrophobicContact CD2-CG 4.36Å; L167-L227 HydrophobicContact CG-CD2 4.02Å
168D66.4Low66.5Low116 Ų11677.4 Ų77.462%0.6241%0.411SS*.Hα-helixtrans-62.3-52.6177.4-43.1-54.6000111.2T166 L170 S171 E172T166-D168 PolarHBondContact O-N 2.78Å; T166-D168 VanDerWaalsContact O-N 3.14Å; D168-L170 VanDerWaalsContact C-N 3.25Å; D168-L170 PolarHBondContact O-N 3.29Å; D168-S171 PolarHBondContact O-N 3.19Å; D168-S171 VanDerWaalsContact O-N 3.12Å; D168-S171 PolarHBondContact O-OG 3.28Å; D168-E172 PolarHBondContact O-N 3.35Å
169R69.7Low66.2Low102 Ų10282.4 Ų82.439%0.38543%0.431SS..Hα-helixtrans-62.9-31.5178.2-170.5-179.4-177.7-157.23.2111.5E162 I165 T166 I173E162-R169 IonicContact OE2-CZ 3.53Å; E162-R169 IonicContact OE2-NH1 3.43Å; E162-R169 PolarHBondContact OE2-NH1 2.79Å; E162-R169 IonicContact OE2-NH2 2.69Å; E162-R169 PolarHBondContact OE2-NH2 3.2Å; I165-R169 HydrophobicContact CG2-CB 3.77Å; I165-R169 HydrophobicContact CG2-CG 3.9Å; T166-R169 PolarHBondContact O-N 3.31Å; T166-R169 WeakPolarHBondContact OG1-CB 3.36Å; R169-I173 HydrophobicContact CG-CD1 4.41Å; R169-I173 WeakPolarHBondContact O-CD1 3.35Å; R169-I173 VanDerWaalsContact O-CG1 3.27Å; R169-I173 WeakPolarHBondContact O-CG1 3.34Å; R169-I173 PolarHBondContact O-N 2.94Å; R169-I173 VanDerWaalsContact O-N 3.1Å
170L71Confident66.1Low0 Ų076.4 Ų76.40%042%0.418CS..Hα-helixtrans-69.3-44.9173.5-165.5111.7000111.4I165 T166 L167 D168 E172 I173 L174 L187 A223 I226 L230I165-L170 HydrophobicContact CG2-CB 3.95Å; I165-L170 HydrophobicContact CG2-CD1 4.33Å; T166-L170 PolarHBondContact O-N 2.84Å; L167-L170 PolarHBondContact O-N 3.03Å; D168-L170 VanDerWaalsContact C-N 3.25Å; D168-L170 PolarHBondContact O-N 3.29Å; L170-E172 VanDerWaalsContact C-N 3.31Å; L170-E172 PolarHBondContact O-N 3.3Å; L170-I173 PolarHBondContact O-N 3.38Å; L170-L174 HydrophobicContact CD2-CD1 3.84Å; L170-L174 HydrophobicContact CG-CD1 4.37Å; L170-L174 WeakPolarHBondContact O-CG 3.46Å; L170-L174 PolarHBondContact O-N 2.72Å; L170-L187 HydrophobicContact CD1-CD2 4.44Å; L170-A223 HydrophobicContact CD2-CB 3.9Å; L170-I226 HydrophobicContact CD1-CG2 3.79Å; L170-I226 HydrophobicContact CD2-CB 4.17Å; L170-I226 HydrophobicContact CD2-CG2 3.93Å; L170-I226 HydrophobicContact CG-CG2 4.44Å; L170-L230 HydrophobicContact CD1-CD1 3.76Å
171S68.4Low66.4Low48 Ų4875.5 Ų75.534%0.33641%0.405SS..Hα-helixtrans-63.7-35.7175.980.10000112.3L167 D168 S175L167-S171 WeakPolarHBondContact O-CB 3.07Å; L167-S171 PolarHBondContact O-N 2.99Å; D168-S171 PolarHBondContact O-N 3.19Å; D168-S171 VanDerWaalsContact O-N 3.12Å; D168-S171 PolarHBondContact O-OG 3.28Å; S171-S175 WeakPolarHBondContact O-CB 3.4Å; S171-S175 PolarHBondContact O-N 3.3Å; S171-S175 PolarHBondContact O-OG 3.31Å
172E73.4Confident67Low98 Ų9873.2 Ų73.246%0.45839%0.385SS..Hα-helixtrans-63.4-40.9171.1-83.7-163.8-124.900112.8D168 L170 S175 K176D168-E172 PolarHBondContact O-N 3.35Å; L170-E172 VanDerWaalsContact C-N 3.31Å; L170-E172 PolarHBondContact O-N 3.3Å; E172-S175 WeakPolarHBondContact CA-OG 3.35Å; E172-S175 PolarHBondContact O-OG 3.4Å; E172-K176 WeakPolarHBondContact O-CB 3.06Å; E172-K176 WeakPolarHBondContact O-CD 3.46Å; E172-K176 WeakPolarHBondContact O-CE 3.45Å; E172-K176 WeakPolarHBondContact O-CG 3.42Å; E172-K176 PolarHBondContact O-N 3.19Å; E172-K176 IonicContact OE2-NZ 2.62Å; E172-K176 PolarHBondContact OE2-NZ 3.48Å
173I74.1Confident67.6Low17 Ų1767.7 Ų67.79%0.08736%0.36CS..Hα-helixtrans-68.6-42.7178.3-72.3163.5000110.4I165 R169 L170 K176 A177 V186 L187 H190I165-I173 HydrophobicContact CD1-CD1 4.08Å; I165-I173 HydrophobicContact CG2-CD1 4.37Å; R169-I173 HydrophobicContact CG-CD1 4.41Å; R169-I173 WeakPolarHBondContact O-CD1 3.35Å; R169-I173 VanDerWaalsContact O-CG1 3.27Å; R169-I173 WeakPolarHBondContact O-CG1 3.34Å; R169-I173 PolarHBondContact O-N 2.94Å; R169-I173 VanDerWaalsContact O-N 3.1Å; L170-I173 PolarHBondContact O-N 3.38Å; I173-K176 PolarHBondContact O-N 2.95Å; I173-A177 PolarHBondContact O-N 3.05Å; I173-V186 HydrophobicContact CG2-CG1 3.83Å; I173-L187 HydrophobicContact CG2-CD2 4.33Å; I173-H190 HydrophobicContact CD1-CB 4.2Å
174L71.8Confident68.3Low9 Ų964.2 Ų64.25%0.04733%0.334CS..Hα-helixtrans-68.3-36.5178.4-68172.5000112.8L170 K176 A177 V213 V219 I226L170-L174 HydrophobicContact CD2-CD1 3.84Å; L170-L174 HydrophobicContact CG-CD1 4.37Å; L170-L174 WeakPolarHBondContact O-CG 3.46Å; L170-L174 PolarHBondContact O-N 2.72Å; L174-K176 VanDerWaalsContact C-N 3.32Å; L174-K176 PolarHBondContact O-N 2.67Å; L174-A177 WeakPolarHBondContact O-CB 3Å; L174-A177 PolarHBondContact O-N 3.29Å; L174-V213 HydrophobicContact CD2-CG2 4.45Å; L174-V219 HydrophobicContact CB-CG1 4.34Å; L174-V219 HydrophobicContact CD1-CG1 4.34Å; L174-I226 HydrophobicContact CD1-CD1 4.23Å
175S70.2Confident68.9Low89 Ų8967.4 Ų67.462%0.62235%0.345SS*.Hα-helixtrans-76.3-15.6177.254.20000114.3S171 E172S171-S175 WeakPolarHBondContact O-CB 3.4Å; S171-S175 PolarHBondContact O-N 3.3Å; S171-S175 PolarHBondContact O-OG 3.31Å; E172-S175 WeakPolarHBondContact CA-OG 3.35Å; E172-S175 PolarHBondContact O-OG 3.4Å
176K72.3Confident69.3Low147 Ų14767.9 Ų67.964%0.63935%0.348SS*.THydrogen-bonded Turntrans-91.6-5.5172.8-68.4166-162.2171.50113.5E172 I173 L174E172-K176 WeakPolarHBondContact O-CB 3.06Å; E172-K176 WeakPolarHBondContact O-CD 3.46Å; E172-K176 WeakPolarHBondContact O-CE 3.45Å; E172-K176 WeakPolarHBondContact O-CG 3.42Å; E172-K176 PolarHBondContact O-N 3.19Å; E172-K176 IonicContact OE2-NZ 2.62Å; E172-K176 PolarHBondContact OE2-NZ 3.48Å; I173-K176 PolarHBondContact O-N 2.95Å; L174-K176 VanDerWaalsContact C-N 3.32Å; L174-K176 PolarHBondContact O-N 2.67Å
177A69.3Low69.6Low22 Ų2264.1 Ų64.118%0.18233%0.325CS..SBendtrans-75.2156.5178.800000112.8I173 L174 V186 V213I173-A177 PolarHBondContact O-N 3.05Å; L174-A177 WeakPolarHBondContact O-CB 3Å; L174-A177 PolarHBondContact O-N 3.29Å; A177-V186 HydrophobicContact CB-CB 4.44Å; A177-V186 HydrophobicContact CB-CG1 3.81Å; A177-V186 HydrophobicContact CB-CG2 3.71Å; A177-V213 HydrophobicContact CB-CG2 4.42Å
178Q66.6Low70.1Confident144 Ų14463.8 Ų63.867%0.67332%0.324SS*.PPolyproline II helixtrans-83.9143.6174.7-63.6-169.1-0.900111.7G180 E181Q178-G180 PolarHBondContact O-N 3.22Å; Q178-E181 HydrophobicContact CB-CG 4.06Å; Q178-E181 PolarHBondContact N-OE2 3.12Å; Q178-E181 WeakPolarHBondContact O-CB 3.49Å; Q178-E181 PolarHBondContact O-N 3.16Å; Q178-E181 VanDerWaalsContact O-N 3.14Å
179H59.1Low70.4Confident124 Ų12462.2 Ų62.257%0.57432%0.32SS*.THydrogen-bonded Turntrans-60.9136.2-178.3-85.1-39.5000112.9E181 V213 S215H179-E181 VanDerWaalsContact C-N 3.28Å; H179-E181 PolarHBondContact O-N 3.33Å; H179-V213 WeakPolarHBondContact CA-O 3.46Å; H179-V213 PolarHBondContact ND1-O 3.28Å; H179-S215 PolarHBondContact CE1-OG 3.36Å; H179-S215 PolarHBondContact NE2-OG 3.05Å
180G62.4Low70.4Confident30 Ų3062.3 Ų62.331%0.30932%0.324SS..THydrogen-bonded Turntrans79-1.6-176.200000115.6Q178 V213Q178-G180 PolarHBondContact O-N 3.22Å; G180-V213 PolarHBondContact N-O 3.5Å; G180-V213 VanDerWaalsContact N-O 3.17Å
181E69.4Low70.4Confident76 Ų7663 Ų6336%0.35533%0.328SS..  trans-68.5148.2169.8-71.7-157.4107.700111.9Q178 H179 V186 K212 V213Q178-E181 HydrophobicContact CB-CG 4.06Å; Q178-E181 PolarHBondContact N-OE2 3.12Å; Q178-E181 WeakPolarHBondContact O-CB 3.49Å; Q178-E181 PolarHBondContact O-N 3.16Å; Q178-E181 VanDerWaalsContact O-N 3.14Å; H179-E181 VanDerWaalsContact C-N 3.28Å; H179-E181 PolarHBondContact O-N 3.33Å; E181-V186 HydrophobicContact CB-CG2 4.14Å; E181-K212 CarbonylContact O-C 3.57Å; E181-K212 VanDerWaalsContact O-CA 3.28Å; E181-K212 WeakPolarHBondContact O-CA 3.38Å; E181-V213 PolarHBondContact O-N 2.92Å
182Q73.4Confident70.4Confident58 Ų5862.5 Ų62.527%0.27132%0.324SS..BIsolated β-bridgetrans-78.1132178.2-67.8177.8-3900110.5K184 K185 V186 L211Q182-K184 HydrophobicContact CB-CG 4.22Å; Q182-K184 PolarHBondContact O-N 3.15Å; Q182-K184 VanDerWaalsContact O-N 3.12Å; Q182-K185 HydrophobicContact CB-CG 4.38Å; Q182-K185 WeakPolarHBondContact O-CB 3.44Å; Q182-K185 PolarHBondContact O-N 3.48Å; Q182-V186 PolarHBondContact O-N 2.93Å; Q182-L211 WeakPolarHBondContact CA-O 3.29Å
183V72.1Confident70.1Confident4 Ų458.6 Ų58.62%0.02431%0.305CS..Hα-helixtrans-51.1-41.4-179.3173.80000112.1K185 V186 L187 L202 L211 V213 I226V183-K185 VanDerWaalsContact C-N 3.26Å; V183-K185 PolarHBondContact O-N 2.65Å; V183-V186 PolarHBondContact O-N 2.73Å; V183-V186 VanDerWaalsContact O-N 3.14Å; V183-L187 HydrophobicContact CG1-CD1 3.64Å; V183-L187 HydrophobicContact CG1-CG 4.11Å; V183-L187 WeakPolarHBondContact O-CG 3.5Å; V183-L187 PolarHBondContact O-N 3.37Å; V183-L202 HydrophobicContact CG1-CD1 4.37Å; V183-L211 HydrophobicContact CG2-CB 4.33Å; V183-L211 HydrophobicContact CG2-CD2 4.21Å; V183-L211 HydrophobicContact CG2-CG 4.13Å; V183-L211 PolarHBondContact N-O 3.18Å; V183-V213 HydrophobicContact CG2-CG2 3.98Å; V183-I226 HydrophobicContact CG1-CD1 3.8Å
184K70.6Confident70.1Confident34 Ų3458.4 Ų58.415%0.14831%0.307CS..Hα-helixtrans-61.5-25.3176.667.2-173.9178.1-175.90114.9Q182 N188 I198 E199Q182-K184 HydrophobicContact CB-CG 4.22Å; Q182-K184 PolarHBondContact O-N 3.15Å; Q182-K184 VanDerWaalsContact O-N 3.12Å; K184-N188 WeakPolarHBondContact O-CB 3.46Å; K184-N188 PolarHBondContact O-N 3.05Å; K184-I198 HydrophobicContact CB-CG2 4.2Å; K184-E199 HydrophobicContact CD-CB 4.22Å; K184-E199 HydrophobicContact CD-CG 4.33Å; K184-E199 WeakPolarHBondContact CD-OE2 3.24Å; K184-E199 IonicContact NZ-OE1 3.69Å; K184-E199 PolarHBondContact NZ-OE1 2.89Å; K184-E199 IonicContact NZ-OE2 2.7Å; K184-E199 PolarHBondContact NZ-OE2 3.16Å
185K71.1Confident70.3Confident130 Ų13059.8 Ų59.857%0.56532%0.32SS*.Hα-helixtrans-80.7-38173.3-68.2-174.5-179.7-178.40112.2Q182 V183 P189Q182-K185 HydrophobicContact CB-CG 4.38Å; Q182-K185 WeakPolarHBondContact O-CB 3.44Å; Q182-K185 PolarHBondContact O-N 3.48Å; V183-K185 VanDerWaalsContact C-N 3.26Å; V183-K185 PolarHBondContact O-N 2.65Å; K185-P189 WeakPolarHBondContact O-CD 3.4Å
186V72.9Confident70.7Confident18 Ų1856.9 Ų56.911%0.10930%0.298CS..Hα-helixtrans-65.7-40.2177.9178.60000111I173 A177 E181 Q182 V183 P189I173-V186 HydrophobicContact CG2-CG1 3.83Å; A177-V186 HydrophobicContact CB-CB 4.44Å; A177-V186 HydrophobicContact CB-CG1 3.81Å; A177-V186 HydrophobicContact CB-CG2 3.71Å; E181-V186 HydrophobicContact CB-CG2 4.14Å; Q182-V186 PolarHBondContact O-N 2.93Å; V183-V186 PolarHBondContact O-N 2.73Å; V183-V186 VanDerWaalsContact O-N 3.14Å; V186-P189 WeakPolarHBondContact O-CD 3.46Å
187L73.3Confident71.1Confident1 Ų149.9 Ų49.91%0.00527%0.268CS..Hα-helixtrans-82.5-29.2-177.2-64.8179.3000114.3L170 I173 V183 P189 H190 L191 I198 I226L170-L187 HydrophobicContact CD1-CD2 4.44Å; I173-L187 HydrophobicContact CG2-CD2 4.33Å; V183-L187 HydrophobicContact CG1-CD1 3.64Å; V183-L187 HydrophobicContact CG1-CG 4.11Å; V183-L187 WeakPolarHBondContact O-CG 3.5Å; V183-L187 PolarHBondContact O-N 3.37Å; L187-P189 VanDerWaalsContact C-CD 3.49Å; L187-H190 PolarHBondContact O-N 2.97Å; L187-L191 HydrophobicContact CB-CD1 3.87Å; L187-L191 HydrophobicContact CD1-CD1 4.39Å; L187-L191 PolarHBondContact O-N 3.08Å; L187-I198 HydrophobicContact CB-CD1 4.31Å; L187-I198 HydrophobicContact CD1-CG2 4.29Å; L187-I226 HydrophobicContact CD1-CG2 4.12Å
188N74.6Confident71.6Confident72 Ų7249 Ų4939%0.38526%0.26SS..THydrogen-bonded Turntrans-61.5-28.2-174.5-178.1101.9000115.9K184 H190 G194 A195 I198K184-N188 WeakPolarHBondContact O-CB 3.46Å; K184-N188 PolarHBondContact O-N 3.05Å; N188-H190 VanDerWaalsContact C-N 3.33Å; N188-G194 WeakPolarHBondContact OD1-CA 3.07Å; N188-A195 PolarHBondContact OD1-N 3.1Å; N188-I198 HydrophobicContact CB-CD1 4.49Å
189P73.3Confident72.2Confident83 Ų8344 Ų4454%0.53924%0.237SC..THydrogen-bonded Turntrans-69.5-27.3169.7-23.134.5000114.2K185 V186 L187K185-P189 WeakPolarHBondContact O-CD 3.4Å; V186-P189 WeakPolarHBondContact O-CD 3.46Å; L187-P189 VanDerWaalsContact C-CD 3.49Å
190H68.4Low73.3Confident104 Ų10438.3 Ų38.348%0.48121%0.21SC..THydrogen-bonded Turntrans-99.7-12.7-174-65.5-68.6000113.8I165 I173 L187 N188I165-H190 HydrophobicContact CD1-CB 4.22Å; I173-H190 HydrophobicContact CD1-CB 4.2Å; L187-H190 PolarHBondContact O-N 2.97Å; N188-H190 VanDerWaalsContact C-N 3.33Å
191L71.4Confident74.2Confident16 Ų1637 Ų378%0.08420%0.196CC..  trans-124137.2-176.4-64.9177.7000112.5I165 L187 Y193 I198 L230I165-L191 HydrophobicContact CD1-CD2 3.57Å; I165-L191 HydrophobicContact CD1-CG 4.27Å; I165-L191 HydrophobicContact CG1-CD2 4.12Å; L187-L191 HydrophobicContact CB-CD1 3.87Å; L187-L191 HydrophobicContact CD1-CD1 4.39Å; L187-L191 PolarHBondContact O-N 3.08Å; L191-Y193 VanDerWaalsContact C-N 3.26Å; L191-Y193 HydrophobicContact CB-CD2 4.09Å; L191-Y193 HydrophobicContact CD1-CD2 4.21Å; L191-Y193 HydrophobicContact CD2-CD2 4.33Å; L191-Y193 HydrophobicContact CD2-CE2 4.11Å; L191-Y193 HydrophobicContact CG-CD2 4.47Å; L191-Y193 PolarHBondContact O-N 3.39Å; L191-I198 HydrophobicContact CB-CD1 4.24Å; L191-I198 HydrophobicContact CD1-CD1 4.01Å; L191-I198 HydrophobicContact CD1-CG1 4.29Å; L191-L230 HydrophobicContact CD1-CD1 4.19Å; L191-L230 HydrophobicContact CD1-CD2 3.4Å; L191-L230 HydrophobicContact CD1-CG 4.46Å; L191-L230 HydrophobicContact CD2-CD1 4.32Å
192P67.9Low74.8Confident37 Ų3733.6 Ų33.624%0.2418%0.18CC..THydrogen-bonded Turntrans-76.1-12.7-18031.9-36000114T7 I95 G194T7-P192 WeakPolarHBondContact CB-O 3.3Å; T7-P192 PolarHBondContact OG1-O 3.35Å; I95-P192 HydrophobicContact CB-CB 4.05Å; I95-P192 HydrophobicContact CD1-CB 3.89Å; I95-P192 HydrophobicContact CD1-CG 3.87Å; I95-P192 HydrophobicContact CG2-CB 3.6Å; I95-P192 HydrophobicContact CG2-CG 4.14Å; P192-G194 VanDerWaalsContact C-N 3.3Å; P192-G194 PolarHBondContact O-N 2.76Å
193Y68.5Low75.1Confident16 Ų1633.8 Ų33.86%0.06318%0.182CC..THydrogen-bonded Turntrans-67.2-26.6-170.8-52.2-39.1000113.9L191 L230 A233 M237L191-Y193 VanDerWaalsContact C-N 3.26Å; L191-Y193 HydrophobicContact CB-CD2 4.09Å; L191-Y193 HydrophobicContact CD1-CD2 4.21Å; L191-Y193 HydrophobicContact CD2-CD2 4.33Å; L191-Y193 HydrophobicContact CD2-CE2 4.11Å; L191-Y193 HydrophobicContact CG-CD2 4.47Å; L191-Y193 PolarHBondContact O-N 3.39Å; Y193-L230 HydrophobicContact CD2-CD2 4.42Å; Y193-L230 HydrophobicContact CE2-CD2 4.44Å; Y193-A233 HydrophobicContact CD2-CB 3.85Å; Y193-A233 HydrophobicContact CE2-CB 4.16Å; Y193-A233 HydrophobicContact CG-CB 4.17Å; Y193-M237 HydrophobicContact CD1-CE 4.15Å; Y193-M237 HydrophobicContact CD1-CG 3.59Å; Y193-M237 HydrophobicContact CD1-SD 4.1Å; Y193-M237 HydrophobicContact CE1-CE 4.42Å; Y193-M237 HydrophobicContact CE1-CG 3.75Å
194G73Confident75.4Confident12 Ų1238.3 Ų38.312%0.12420%0.203CC..  trans76.9153.5-178.800000113.9N188 P192 T196 L197 I198N188-G194 WeakPolarHBondContact OD1-CA 3.07Å; P192-G194 VanDerWaalsContact C-N 3.3Å; P192-G194 PolarHBondContact O-N 2.76Å; G194-T196 VanDerWaalsContact C-N 3.28Å; G194-T196 PolarHBondContact O-N 2.74Å; G194-T196 VanDerWaalsContact O-N 3.1Å; G194-L197 PolarHBondContact O-N 3.41Å; G194-I198 WeakPolarHBondContact O-CG1 3.38Å; G194-I198 PolarHBondContact O-N 2.75Å
195A76.4Confident75.8Confident39 Ų3938.3 Ų38.332%0.32221%0.21SC..Hα-helixtrans-53.9-34-169.600000115.7N188 E199N188-A195 PolarHBondContact OD1-N 3.1Å; A195-E199 VanDerWaalsContact O-CB 3.25Å; A195-E199 WeakPolarHBondContact O-CB 3.46Å; A195-E199 PolarHBondContact O-N 2.78Å
196T79.3Confident75.8Confident28 Ų2835.3 Ų35.317%0.17222%0.216CC..Hα-helixtrans-74.1-38-178.249.10000113.5G194 H200G194-T196 VanDerWaalsContact C-N 3.28Å; G194-T196 PolarHBondContact O-N 2.74Å; G194-T196 VanDerWaalsContact O-N 3.1Å; T196-H200 WeakPolarHBondContact O-CB 3.44Å; T196-H200 PolarHBondContact O-N 3.24Å
197L80.2Confident75.8Confident0 Ų035.4 Ų35.40%022%0.215CC..Hα-helixtrans-73.7-36.9175.7-178.355.4000110.6V8 G194 E199 H200 S201 A233 Y236 M237 F279V8-L197 HydrophobicContact CG2-CB 4.34Å; V8-L197 HydrophobicContact CG2-CD2 3.79Å; G194-L197 PolarHBondContact O-N 3.41Å; L197-E199 VanDerWaalsContact C-N 3.34Å; L197-E199 PolarHBondContact O-N 3.1Å; L197-H200 PolarHBondContact O-N 2.85Å; L197-S201 PolarHBondContact O-N 2.9Å; L197-S201 PolarHBondContact O-OG 3.32Å; L197-A233 HydrophobicContact CD2-CB 4.4Å; L197-A233 HydrophobicContact CG-CB 4.2Å; L197-Y236 HydrophobicContact CD1-CD2 4.35Å; L197-Y236 HydrophobicContact CD1-CG 4.28Å; L197-M237 HydrophobicContact CD2-CG 4.21Å; L197-M237 HydrophobicContact CD2-SD 4.3Å; L197-F279 HydrophobicContact CD1-CE1 3.98Å; L197-F279 HydrophobicContact CD1-CZ 4.35Å
198I79.1Confident75.7Confident3 Ų338.9 Ų38.92%0.01524%0.238CC..Hα-helixtrans-60-45.2172-63.4165.8000110.5K184 L187 N188 L191 G194 S201 L202K184-I198 HydrophobicContact CB-CG2 4.2Å; L187-I198 HydrophobicContact CB-CD1 4.31Å; L187-I198 HydrophobicContact CD1-CG2 4.29Å; N188-I198 HydrophobicContact CB-CD1 4.49Å; L191-I198 HydrophobicContact CB-CD1 4.24Å; L191-I198 HydrophobicContact CD1-CD1 4.01Å; L191-I198 HydrophobicContact CD1-CG1 4.29Å; G194-I198 WeakPolarHBondContact O-CG1 3.38Å; G194-I198 PolarHBondContact O-N 2.75Å; I198-S201 PolarHBondContact O-N 2.88Å; I198-L202 HydrophobicContact CG2-CD1 3.97Å; I198-L202 HydrophobicContact CG2-CG 4.45Å; I198-L202 WeakPolarHBondContact O-CB 3.49Å; I198-L202 WeakPolarHBondContact O-CG 3.42Å; I198-L202 PolarHBondContact O-N 2.93Å
199E80.1Confident75.1Confident39 Ų3935.9 Ų35.918%0.18222%0.224CC..Hα-helixtrans-67.8-37179.3-174.3162.8-155.200113.2K184 A195 L197 M203 Q281K184-E199 HydrophobicContact CD-CB 4.22Å; K184-E199 HydrophobicContact CD-CG 4.33Å; K184-E199 WeakPolarHBondContact CD-OE2 3.24Å; K184-E199 IonicContact NZ-OE1 3.69Å; K184-E199 PolarHBondContact NZ-OE1 2.89Å; K184-E199 IonicContact NZ-OE2 2.7Å; K184-E199 PolarHBondContact NZ-OE2 3.16Å; A195-E199 VanDerWaalsContact O-CB 3.25Å; A195-E199 WeakPolarHBondContact O-CB 3.46Å; A195-E199 PolarHBondContact O-N 2.78Å; L197-E199 VanDerWaalsContact C-N 3.34Å; L197-E199 PolarHBondContact O-N 3.1Å; E199-M203 HydrophobicContact CG-CE 3.58Å; E199-M203 WeakPolarHBondContact O-CE 3.32Å; E199-M203 PolarHBondContact O-N 3.08Å; E199-Q281 VanDerWaalsContact CG-OE1 3.31Å
200H82.3Confident74.5Confident5 Ų535.3 Ų35.32%0.02322%0.222CC..Hα-helixtrans-59.5-54.9169.8175.654.6000111.7T196 L197 L202 M203 E204 Y236 F279 A280T196-H200 WeakPolarHBondContact O-CB 3.44Å; T196-H200 PolarHBondContact O-N 3.24Å; L197-H200 PolarHBondContact O-N 2.85Å; H200-L202 VanDerWaalsContact C-N 3.31Å; H200-L202 PolarHBondContact O-N 3.49Å; H200-M203 PolarHBondContact O-N 3.5Å; H200-M203 VanDerWaalsContact O-N 3.08Å; H200-E204 IonicContact CD2-OE2 3.16Å; H200-E204 IonicContact CE1-OE2 2.76Å; H200-E204 PolarHBondContact CE1-OE2 3.23Å; H200-E204 IonicContact NE2-OE2 3.08Å; H200-E204 PolarHBondContact NE2-OE2 2.92Å; H200-E204 PolarHBondContact O-N 2.72Å; H200-Y236 AromaticContact CD2-CE2 3.94Å; H200-Y236 AromaticContact NE2-CE2 3.57Å; H200-Y236 AromaticContact NE2-CZ 3.62Å; H200-Y236 PolarHBondContact NE2-OH 3.03Å; H200-F279 HydrophobicContact CB-CB 3.93Å; H200-F279 HydrophobicContact CB-CD1 3.75Å; H200-F279 HydrophobicContact CB-CE1 4.39Å; H200-F279 HydrophobicContact CB-CG 3.86Å; H200-F279 AromaticContact CD2-CD1 3.67Å; H200-F279 AromaticContact CG-CD1 3.43Å; H200-F279 VanDerWaalsContact CG-CD1 3.43Å; H200-F279 AromaticContact CG-CG 3.87Å; H200-F279 WeakPolarHBondContact ND1-CA 3.33Å; H200-F279 AromaticContact ND1-CD1 3.96Å; H200-A280 PolarHBondContact CE1-N 3.01Å; H200-A280 PolarHBondContact ND1-N 2.95Å
201S81.6Confident74.5Confident2 Ų232.1 Ų32.11%0.01421%0.208CC..Hα-helixtrans-63.6-35-177.5-60.30000113.4L197 I198 M203 E204 A205 A229L197-S201 PolarHBondContact O-N 2.9Å; L197-S201 PolarHBondContact O-OG 3.32Å; I198-S201 PolarHBondContact O-N 2.88Å; S201-M203 VanDerWaalsContact C-N 3.32Å; S201-M203 PolarHBondContact O-N 3.04Å; S201-E204 PolarHBondContact O-N 2.84Å; S201-A205 WeakPolarHBondContact O-CB 3.16Å; S201-A205 PolarHBondContact O-N 2.91Å; S201-A229 WeakPolarHBondContact CB-O 3.48Å; S201-A229 WeakPolarHBondContact O-CB 3.46Å; S201-A229 PolarHBondContact OG-O 2.92Å
202L80.4Confident74.4Confident4 Ų437 Ų372%0.02123%0.229CC..Hα-helixtrans-60.1-42.8173.5-75.1169.5000111.3V183 I198 H200 A205 G206 L207 I226V183-L202 HydrophobicContact CG1-CD1 4.37Å; I198-L202 HydrophobicContact CG2-CD1 3.97Å; I198-L202 HydrophobicContact CG2-CG 4.45Å; I198-L202 WeakPolarHBondContact O-CB 3.49Å; I198-L202 WeakPolarHBondContact O-CG 3.42Å; I198-L202 PolarHBondContact O-N 2.93Å; H200-L202 VanDerWaalsContact C-N 3.31Å; H200-L202 PolarHBondContact O-N 3.49Å; L202-A205 CarbonylContact O-C 3.59Å; L202-A205 PolarHBondContact O-N 3.37Å; L202-G206 PolarHBondContact O-N 3.4Å; L202-L207 CarbonylContact C-O 3.12Å; L202-L207 HydrophobicContact CB-CB 4.46Å; L202-L207 HydrophobicContact CD2-CD1 3.86Å; L202-L207 WeakPolarHBondContact O-CA 3.23Å; L202-L207 WeakPolarHBondContact O-CB 3.43Å; L202-L207 PolarHBondContact O-N 3.05Å; L202-L207 VanDerWaalsContact O-O 3.14Å; L202-I226 HydrophobicContact CD2-CG1 3.9Å
203M80.2Confident74.2Confident63 Ų6335.9 Ų35.931%0.3122%0.221SC..Hα-helixtrans-72-34.1177.2-87.8176.5-75.200113.7E199 H200 S201 A205 G206 L207 Q281E199-M203 HydrophobicContact CG-CE 3.58Å; E199-M203 WeakPolarHBondContact O-CE 3.32Å; E199-M203 PolarHBondContact O-N 3.08Å; H200-M203 PolarHBondContact O-N 3.5Å; H200-M203 VanDerWaalsContact O-N 3.08Å; S201-M203 VanDerWaalsContact C-N 3.32Å; S201-M203 PolarHBondContact O-N 3.04Å; M203-A205 VanDerWaalsContact C-N 3.32Å; M203-G206 PolarHBondContact O-N 2.97Å; M203-L207 VanDerWaalsContact CA-O 3.31Å; M203-L207 WeakPolarHBondContact CA-O 3.49Å; M203-L207 WeakPolarHBondContact CG-O 3.42Å; M203-L207 PolarHBondContact N-O 3.25Å; M203-Q281 HydrophobicContact CE-CB 3.47Å; M203-Q281 VanDerWaalsContact CE-CB 3.47Å; M203-Q281 HydrophobicContact SD-CB 4.39Å
204E78.8Confident73.6Confident98 Ų9839.4 Ų39.446%0.45824%0.241SC..Hα-helixtrans-69.9-31174-161.9166.2153.500111.8H200 S201 G206 L232 Y236H200-E204 IonicContact CD2-OE2 3.16Å; H200-E204 IonicContact CE1-OE2 2.76Å; H200-E204 PolarHBondContact CE1-OE2 3.23Å; H200-E204 IonicContact NE2-OE2 3.08Å; H200-E204 PolarHBondContact NE2-OE2 2.92Å; H200-E204 PolarHBondContact O-N 2.72Å; S201-E204 PolarHBondContact O-N 2.84Å; E204-G206 PolarHBondContact O-N 2.82Å; E204-L232 HydrophobicContact CB-CD2 3.74Å; E204-L232 HydrophobicContact CG-CD2 3.95Å; E204-Y236 PolarHBondContact OE2-OH 3.38Å
205A79.3Confident72.6Confident35 Ų3542.4 Ų42.429%0.28926%0.26SS..THydrogen-bonded Turntrans-78.79.9167.400000114.4S201 L202 M203 L207 A229S201-A205 WeakPolarHBondContact O-CB 3.16Å; S201-A205 PolarHBondContact O-N 2.91Å; L202-A205 CarbonylContact O-C 3.59Å; L202-A205 PolarHBondContact O-N 3.37Å; M203-A205 VanDerWaalsContact C-N 3.32Å; A205-L207 PolarHBondContact O-N 3.29Å; A205-A229 HydrophobicContact CB-CB 3.89Å
206G70.3Confident71.3Confident67 Ų6749 Ų4969%0.69128%0.284SS*.THydrogen-bonded Turntrans78.210.7174.100000116.3L202 M203 E204L202-G206 PolarHBondContact O-N 3.4Å; M203-G206 PolarHBondContact O-N 2.97Å; E204-G206 PolarHBondContact O-N 2.82Å
207L74.3Confident69.6Low20 Ų2051.8 Ų51.811%0.10531%0.31CS..  trans-96.2144.1176-61.7174000111.3L202 M203 A205 G209 L211 V222 K225 I226L202-L207 CarbonylContact C-O 3.12Å; L202-L207 HydrophobicContact CB-CB 4.46Å; L202-L207 HydrophobicContact CD2-CD1 3.86Å; L202-L207 WeakPolarHBondContact O-CA 3.23Å; L202-L207 WeakPolarHBondContact O-CB 3.43Å; L202-L207 PolarHBondContact O-N 3.05Å; L202-L207 VanDerWaalsContact O-O 3.14Å; M203-L207 VanDerWaalsContact CA-O 3.31Å; M203-L207 WeakPolarHBondContact CA-O 3.49Å; M203-L207 WeakPolarHBondContact CG-O 3.42Å; M203-L207 PolarHBondContact N-O 3.25Å; A205-L207 PolarHBondContact O-N 3.29Å; L207-G209 PolarHBondContact O-N 2.88Å; L207-L211 HydrophobicContact CD1-CD2 4.33Å; L207-L211 HydrophobicContact CD2-CD2 4.47Å; L207-V222 HydrophobicContact CD1-CG1 4.18Å; L207-K225 HydrophobicContact CD1-CB 4.06Å; L207-K225 HydrophobicContact CD2-CD 4.33Å; L207-I226 HydrophobicContact CD1-CG1 4.19Å
208P69.8Low68.5Low74 Ų7456.1 Ų56.148%0.48133%0.333SS..  trans-67.5129.4176.627.2-33.2000111S210 L211P208-S210 PolarHBondContact O-N 3.2Å; P208-L211 HydrophobicContact CG-CB 4.33Å; P208-L211 HydrophobicContact CG-CD1 4.33Å; P208-L211 VanDerWaalsContact O-CB 3.31Å; P208-L211 WeakPolarHBondContact O-CB 3.25Å; P208-L211 PolarHBondContact O-N 3.06Å
209G61.8Low67.5Low8 Ų857.8 Ų57.88%0.08234%0.343CS..THydrogen-bonded Turntrans-59.3-11.6-176.900000116.5L207L207-G209 PolarHBondContact O-N 2.88Å
210S61.3Low66.7Low72 Ų7259.9 Ų59.950%0.50337%0.367SS..THydrogen-bonded Turntrans-104.213.9175.362.10000114.5P208 K212P208-S210 PolarHBondContact O-N 3.2Å; S210-K212 PolarHBondContact O-N 3.43Å
211L68.2Low65.8Low37 Ų3765.7 Ų65.719%0.19439%0.394CS..  trans-48.8133.1-179.6-17462.8000112.2Q182 V183 L207 P208 V222Q182-L211 WeakPolarHBondContact CA-O 3.29Å; V183-L211 HydrophobicContact CG2-CB 4.33Å; V183-L211 HydrophobicContact CG2-CD2 4.21Å; V183-L211 HydrophobicContact CG2-CG 4.13Å; V183-L211 PolarHBondContact N-O 3.18Å; L207-L211 HydrophobicContact CD1-CD2 4.33Å; L207-L211 HydrophobicContact CD2-CD2 4.47Å; P208-L211 HydrophobicContact CG-CB 4.33Å; P208-L211 HydrophobicContact CG-CD1 4.33Å; P208-L211 VanDerWaalsContact O-CB 3.31Å; P208-L211 WeakPolarHBondContact O-CB 3.25Å; P208-L211 PolarHBondContact O-N 3.06Å; L211-V222 HydrophobicContact CD2-CG1 3.96Å
212K70.3Confident65.2Low119 Ų11966.4 Ų66.452%0.51740%0.398SS..BIsolated β-bridgetrans-104.4155.6177.6-67.2-179.71771800111E181 S210 D214E181-K212 CarbonylContact O-C 3.57Å; E181-K212 VanDerWaalsContact O-CA 3.28Å; E181-K212 WeakPolarHBondContact O-CA 3.38Å; S210-K212 PolarHBondContact O-N 3.43Å; K212-D214 PolarHBondContact O-N 3.18Å
213V63Low64.7Low13 Ų1366.6 Ų66.68%0.07940%0.401CS..  trans-87.991.9172.4-173.20000110.3L174 A177 H179 G180 E181 V183L174-V213 HydrophobicContact CD2-CG2 4.45Å; A177-V213 HydrophobicContact CB-CG2 4.42Å; H179-V213 WeakPolarHBondContact CA-O 3.46Å; H179-V213 PolarHBondContact ND1-O 3.28Å; G180-V213 PolarHBondContact N-O 3.5Å; G180-V213 VanDerWaalsContact N-O 3.17Å; E181-V213 PolarHBondContact O-N 2.92Å; V183-V213 HydrophobicContact CG2-CG2 3.98Å
214D56.2Low64.6Low89 Ų8966.2 Ų66.248%0.47640%0.403SS..  trans-99.6167.1170.1-68.8-30000111.1K212 Q216K212-D214 PolarHBondContact O-N 3.18Å; D214-Q216 PolarHBondContact O-N 2.71Å
215S51.3Low64.5Low75 Ų7565.1 Ų65.152%0.52440%0.397SS..SBendtrans-76.1117.6-149.3-50.50000116.9H179 A217H179-S215 PolarHBondContact CE1-OG 3.36Å; H179-S215 PolarHBondContact NE2-OG 3.05Å; S215-A217 PolarHBondContact O-N 3.27Å
216Q49.2Very low64.4Low179 Ų17963.5 Ų63.584%0.83638%0.383SS*.SBendtrans63.4-30.6155.7-64.9-176.6-16.900119.3D214D214-Q216 PolarHBondContact O-N 2.71Å
217A43.1Very low64.8Low85 Ų8561.8 Ų61.870%0.70236%0.358SS*.SBendtrans-76.2-48.4-18000000112.7S215 V219S215-A217 PolarHBondContact O-N 3.27Å; A217-V219 VanDerWaalsContact C-N 3.33Å; A217-V219 PolarHBondContact O-N 3.15Å
218D57.1Low65.1Low92 Ų9265.1 Ų65.149%0.49238%0.376SS..Hα-helixtrans-68-27-174.7-83.1-51.6000114.1A220 E221 V222D218-A220 PolarHBondContact O-N 3.34Å; D218-A220 VanDerWaalsContact O-N 3.12Å; D218-E221 PolarHBondContact O-N 3.16Å; D218-E221 VanDerWaalsContact O-N 3.07Å; D218-V222 HydrophobicContact CB-CG2 4.02Å; D218-V222 VanDerWaalsContact O-CB 3.26Å; D218-V222 WeakPolarHBondContact O-CB 3.43Å; D218-V222 VanDerWaalsContact O-CG2 3.32Å; D218-V222 WeakPolarHBondContact O-CG2 3.45Å; D218-V222 PolarHBondContact O-N 2.76Å
219V59.4Low65.5Low37 Ų3761.7 Ų61.722%0.22435%0.354CS..Hα-helixtrans-58.4-35.8-169-175.10000112.2L174 A217 A223L174-V219 HydrophobicContact CB-CG1 4.34Å; L174-V219 HydrophobicContact CD1-CG1 4.34Å; A217-V219 VanDerWaalsContact C-N 3.33Å; A217-V219 PolarHBondContact O-N 3.15Å; V219-A223 WeakPolarHBondContact O-CB 3.47Å; V219-A223 PolarHBondContact O-N 2.92Å
220A61.8Low66.3Low83 Ų8361.6 Ų61.669%0.68635%0.352SS*.Hα-helixtrans-72.4-34.8179.500000113.7D218 P224D218-A220 PolarHBondContact O-N 3.34Å; D218-A220 VanDerWaalsContact O-N 3.12Å; A220-P224 WeakPolarHBondContact O-CD 3.31Å
221E64.2Low67.2Low128 Ų12862.3 Ų62.360%0.59835%0.347SS*.Hα-helixtrans-85.6-28177.3-82.4-153.3-149.700113.5D218 K225D218-E221 PolarHBondContact O-N 3.16Å; D218-E221 VanDerWaalsContact O-N 3.07Å; E221-K225 VanDerWaalsContact O-CD 3.31Å; E221-K225 WeakPolarHBondContact O-CD 3.24Å; E221-K225 WeakPolarHBondContact O-CE 3.42Å; E221-K225 IonicContact OE2-NZ 2.76Å; E221-K225 PolarHBondContact OE2-NZ 3.21Å; E221-K225 VanDerWaalsContact OE2-NZ 3.08Å
222V69.8Low67.8Low16 Ų1662.8 Ų62.810%0.09735%0.35CS..Hα-helixtrans-87.3-33.9-176.4172.10000111.4L207 L211 D218 K225 I226L207-V222 HydrophobicContact CD1-CG1 4.18Å; L211-V222 HydrophobicContact CD2-CG1 3.96Å; D218-V222 HydrophobicContact CB-CG2 4.02Å; D218-V222 VanDerWaalsContact O-CB 3.26Å; D218-V222 WeakPolarHBondContact O-CB 3.43Å; D218-V222 VanDerWaalsContact O-CG2 3.32Å; D218-V222 WeakPolarHBondContact O-CG2 3.45Å; D218-V222 PolarHBondContact O-N 2.76Å; V222-K225 PolarHBondContact O-N 3.39Å; V222-I226 HydrophobicContact CG1-CD1 3.52Å; V222-I226 HydrophobicContact CG1-CG1 3.84Å; V222-I226 WeakPolarHBondContact O-CB 3.35Å; V222-I226 WeakPolarHBondContact O-CG1 3.26Å; V222-I226 PolarHBondContact O-N 2.84Å
223A69.9Low68.2Low9 Ų957.1 Ų57.17%0.07433%0.325CS..Hα-helixtrans-53.9-47.317700000115.1L170 V219 I226 L227L170-A223 HydrophobicContact CD2-CB 3.9Å; V219-A223 WeakPolarHBondContact O-CB 3.47Å; V219-A223 PolarHBondContact O-N 2.92Å; A223-I226 PolarHBondContact O-N 2.81Å; A223-L227 PolarHBondContact O-N 3.38Å
224P77.6Confident68.9Low55 Ų5559.4 Ų59.436%0.35734%0.335SS..Hα-helixtrans-66.3-43.5176.424.7-33.2000112.3A220 I226 L227 D228A220-P224 WeakPolarHBondContact O-CD 3.31Å; P224-I226 PolarHBondContact O-N 2.89Å; P224-L227 WeakPolarHBondContact O-CA 3.23Å; P224-L227 WeakPolarHBondContact O-CB 3.4Å; P224-L227 PolarHBondContact O-N 2.86Å; P224-D228 PolarHBondContact O-N 2.86Å
225K77.6Confident70.2Confident75 Ų7558.3 Ų58.333%0.32633%0.331SS..Hα-helixtrans-61.6-32.6176.7-62.4168.4-168.2154.70111.9L207 E221 V222 A229L207-K225 HydrophobicContact CD1-CB 4.06Å; L207-K225 HydrophobicContact CD2-CD 4.33Å; E221-K225 VanDerWaalsContact O-CD 3.31Å; E221-K225 WeakPolarHBondContact O-CD 3.24Å; E221-K225 WeakPolarHBondContact O-CE 3.42Å; E221-K225 IonicContact OE2-NZ 2.76Å; E221-K225 PolarHBondContact OE2-NZ 3.21Å; E221-K225 VanDerWaalsContact OE2-NZ 3.08Å; V222-K225 PolarHBondContact O-N 3.39Å; K225-A229 WeakPolarHBondContact O-CB 3.24Å; K225-A229 PolarHBondContact O-N 3.16Å; K225-A229 VanDerWaalsContact O-N 3.14Å
226I75.7Confident71.5Confident1 Ų156.6 Ų56.61%0.00531%0.314CS..Hα-helixtrans-69.2-42.5169.8-70.6178.1000110.9L170 L174 V183 L187 L202 L207 V222 A223 P224 D228 A229 L230L170-I226 HydrophobicContact CD1-CG2 3.79Å; L170-I226 HydrophobicContact CD2-CB 4.17Å; L170-I226 HydrophobicContact CD2-CG2 3.93Å; L170-I226 HydrophobicContact CG-CG2 4.44Å; L174-I226 HydrophobicContact CD1-CD1 4.23Å; V183-I226 HydrophobicContact CG1-CD1 3.8Å; L187-I226 HydrophobicContact CD1-CG2 4.12Å; L202-I226 HydrophobicContact CD2-CG1 3.9Å; L207-I226 HydrophobicContact CD1-CG1 4.19Å; V222-I226 HydrophobicContact CG1-CD1 3.52Å; V222-I226 HydrophobicContact CG1-CG1 3.84Å; V222-I226 WeakPolarHBondContact O-CB 3.35Å; V222-I226 WeakPolarHBondContact O-CG1 3.26Å; V222-I226 PolarHBondContact O-N 2.84Å; A223-I226 PolarHBondContact O-N 2.81Å; P224-I226 PolarHBondContact O-N 2.89Å; I226-D228 VanDerWaalsContact C-N 3.31Å; I226-D228 PolarHBondContact O-N 3Å; I226-A229 CarbonylContact O-C 3.58Å; I226-A229 WeakPolarHBondContact O-CA 3.13Å; I226-A229 WeakPolarHBondContact O-CB 3.48Å; I226-A229 PolarHBondContact O-N 3.08Å; I226-A229 VanDerWaalsContact O-N 3.17Å; I226-L230 HydrophobicContact CG2-CD1 4.39Å; I226-L230 HydrophobicContact CG2-CG 4.27Å; I226-L230 WeakPolarHBondContact O-CG 3.35Å; I226-L230 PolarHBondContact O-N 2.8Å
227L78.4Confident72.8Confident30 Ų3048.4 Ų48.416%0.15728%0.275CS..Hα-helixtrans-59.4-43.6176.8-171.575.1000111.4L167 A223 P224 A229 L230 Q231L167-L227 HydrophobicContact CD1-CD2 4.44Å; L167-L227 HydrophobicContact CD2-CB 3.95Å; L167-L227 HydrophobicContact CD2-CD2 3.89Å; L167-L227 HydrophobicContact CD2-CG 4.36Å; L167-L227 HydrophobicContact CG-CD2 4.02Å; A223-L227 PolarHBondContact O-N 3.38Å; P224-L227 WeakPolarHBondContact O-CA 3.23Å; P224-L227 WeakPolarHBondContact O-CB 3.4Å; P224-L227 PolarHBondContact O-N 2.86Å; L227-A229 VanDerWaalsContact C-N 3.32Å; L227-A229 PolarHBondContact O-N 3.19Å; L227-L230 WeakPolarHBondContact O-CA 3.45Å; L227-L230 WeakPolarHBondContact O-CB 3.28Å; L227-L230 PolarHBondContact O-N 3.29Å; L227-Q231 WeakPolarHBondContact O-CG 3.42Å; L227-Q231 PolarHBondContact O-N 3.41Å
228D80.5Confident74.4Confident90 Ų9049.3 Ų49.348%0.48127%0.268SS..Hα-helixtrans-60.2-43.1175.5-59.2-26.4000110.8P224 I226 L230 Q231 L232P224-D228 PolarHBondContact O-N 2.86Å; I226-D228 VanDerWaalsContact C-N 3.31Å; I226-D228 PolarHBondContact O-N 3Å; D228-L230 VanDerWaalsContact C-N 3.29Å; D228-L230 PolarHBondContact O-N 3.1Å; D228-Q231 PolarHBondContact O-N 3.21Å; D228-L232 WeakPolarHBondContact O-CB 3.39Å; D228-L232 PolarHBondContact O-N 2.94Å
229A79.2Confident75.4Confident3 Ų350.2 Ų50.23%0.02527%0.268CS..Hα-helixtrans-61.9-31.7172.200000113.3S201 A205 K225 I226 L227 A233S201-A229 WeakPolarHBondContact CB-O 3.48Å; S201-A229 WeakPolarHBondContact O-CB 3.46Å; S201-A229 PolarHBondContact OG-O 2.92Å; A205-A229 HydrophobicContact CB-CB 3.89Å; K225-A229 WeakPolarHBondContact O-CB 3.24Å; K225-A229 PolarHBondContact O-N 3.16Å; K225-A229 VanDerWaalsContact O-N 3.14Å; I226-A229 CarbonylContact O-C 3.58Å; I226-A229 WeakPolarHBondContact O-CA 3.13Å; I226-A229 WeakPolarHBondContact O-CB 3.48Å; I226-A229 PolarHBondContact O-N 3.08Å; I226-A229 VanDerWaalsContact O-N 3.17Å; L227-A229 VanDerWaalsContact C-N 3.32Å; L227-A229 PolarHBondContact O-N 3.19Å; A229-A233 WeakPolarHBondContact O-CB 3.48Å; A229-A233 PolarHBondContact O-N 3.47Å
230L78.6Confident76.1Confident6 Ų648.4 Ų48.43%0.03126%0.257CS..Hα-helixtrans-75.7-39.1176-65.6-171.4000112.5L164 L170 L191 Y193 I226 L227 D228 L232 A233 E234L164-L230 HydrophobicContact CD2-CB 4.35Å; L170-L230 HydrophobicContact CD1-CD1 3.76Å; L191-L230 HydrophobicContact CD1-CD1 4.19Å; L191-L230 HydrophobicContact CD1-CD2 3.4Å; L191-L230 HydrophobicContact CD1-CG 4.46Å; L191-L230 HydrophobicContact CD2-CD1 4.32Å; Y193-L230 HydrophobicContact CD2-CD2 4.42Å; Y193-L230 HydrophobicContact CE2-CD2 4.44Å; I226-L230 HydrophobicContact CG2-CD1 4.39Å; I226-L230 HydrophobicContact CG2-CG 4.27Å; I226-L230 WeakPolarHBondContact O-CG 3.35Å; I226-L230 PolarHBondContact O-N 2.8Å; L227-L230 WeakPolarHBondContact O-CA 3.45Å; L227-L230 WeakPolarHBondContact O-CB 3.28Å; L227-L230 PolarHBondContact O-N 3.29Å; D228-L230 VanDerWaalsContact C-N 3.29Å; D228-L230 PolarHBondContact O-N 3.1Å; L230-L232 VanDerWaalsContact C-N 3.3Å; L230-L232 PolarHBondContact O-N 3.02Å; L230-A233 WeakPolarHBondContact O-CB 3.48Å; L230-A233 PolarHBondContact O-N 2.92Å; L230-E234 PolarHBondContact O-N 2.72Å
231Q81.2Confident76.4Confident87 Ų8750.8 Ų50.841%0.40725%0.254SS..Hα-helixtrans-63-38.7171.6-66.5174.625.400111.1L164 L227 D228 E234 T235L164-Q231 HydrophobicContact CD1-CG 4.19Å; L227-Q231 WeakPolarHBondContact O-CG 3.42Å; L227-Q231 PolarHBondContact O-N 3.41Å; D228-Q231 PolarHBondContact O-N 3.21Å; Q231-E234 PolarHBondContact O-N 2.68Å; Q231-T235 WeakPolarHBondContact O-CB 3.33Å; Q231-T235 PolarHBondContact O-N 2.93Å; Q231-T235 PolarHBondContact O-OG1 2.77Å
232L80.2Confident76.7Confident47 Ų4753.2 Ų53.225%0.24626%0.262CS..Hα-helixtrans-62.8-44.8171.7-167.596000111.5E204 D228 L230 E234 T235 Y236E204-L232 HydrophobicContact CB-CD2 3.74Å; E204-L232 HydrophobicContact CG-CD2 3.95Å; D228-L232 WeakPolarHBondContact O-CB 3.39Å; D228-L232 PolarHBondContact O-N 2.94Å; L230-L232 VanDerWaalsContact C-N 3.3Å; L230-L232 PolarHBondContact O-N 3.02Å; L232-E234 VanDerWaalsContact C-N 3.35Å; L232-E234 PolarHBondContact O-N 3.09Å; L232-T235 WeakPolarHBondContact O-CB 3.42Å; L232-T235 PolarHBondContact O-N 3.04Å; L232-Y236 HydrophobicContact CD2-CD2 4.42Å; L232-Y236 HydrophobicContact CD2-CE2 4.01Å; L232-Y236 HydrophobicContact CG-CD2 4.2Å; L232-Y236 HydrophobicContact CG-CE2 3.99Å; L232-Y236 VanDerWaalsContact O-CD2 3.26Å; L232-Y236 WeakPolarHBondContact O-CD2 3.28Å; L232-Y236 PolarHBondContact O-N 2.77Å
233A77.8Confident76.8Confident0 Ų053.1 Ų53.10%026%0.261CS..Hα-helixtrans-61-41.3176.700000112.4Y193 L197 A229 L230 Y236 M237Y193-A233 HydrophobicContact CD2-CB 3.85Å; Y193-A233 HydrophobicContact CE2-CB 4.16Å; Y193-A233 HydrophobicContact CG-CB 4.17Å; L197-A233 HydrophobicContact CD2-CB 4.4Å; L197-A233 HydrophobicContact CG-CB 4.2Å; A229-A233 WeakPolarHBondContact O-CB 3.48Å; A229-A233 PolarHBondContact O-N 3.47Å; L230-A233 WeakPolarHBondContact O-CB 3.48Å; L230-A233 PolarHBondContact O-N 2.92Å; A233-Y236 WeakPolarHBondContact O-CB 3.43Å; A233-Y236 PolarHBondContact O-N 2.65Å; A233-M237 WeakPolarHBondContact O-CG 3.46Å; A233-M237 PolarHBondContact O-N 3.48Å
234E78.4Confident76.6Confident61 Ų6158.2 Ų58.229%0.28530%0.296SS..Hα-helixtrans-64.7-43.3174.6-168.6166.7-135.400111.1L164 L230 Q231 L232 Y236 M237 D238L164-E234 WeakPolarHBondContact CD1-OE2 3.3Å; L164-E234 WeakPolarHBondContact CD2-OE2 3.3Å; L164-E234 VanDerWaalsContact CG-OE2 3.25Å; L164-E234 WeakPolarHBondContact CG-OE2 3.34Å; L230-E234 PolarHBondContact O-N 2.72Å; Q231-E234 PolarHBondContact O-N 2.68Å; L232-E234 VanDerWaalsContact C-N 3.35Å; L232-E234 PolarHBondContact O-N 3.09Å; E234-Y236 PolarHBondContact O-N 3.06Å; E234-M237 WeakPolarHBondContact O-CA 3.27Å; E234-M237 WeakPolarHBondContact O-CB 3.28Å; E234-M237 PolarHBondContact O-N 2.92Å; E234-D238 PolarHBondContact O-N 2.94Å
235T82.7Confident76.1Confident65 Ų6556.8 Ų56.840%0.39929%0.291SS..Hα-helixtrans-57.6-34.4172.4-56.60000112.4Q231 L232 K239Q231-T235 WeakPolarHBondContact O-CB 3.33Å; Q231-T235 PolarHBondContact O-N 2.93Å; Q231-T235 PolarHBondContact O-OG1 2.77Å; L232-T235 WeakPolarHBondContact O-CB 3.42Å; L232-T235 PolarHBondContact O-N 3.04Å; T235-K239 WeakPolarHBondContact O-CD 3.47Å; T235-K239 WeakPolarHBondContact O-CG 3.32Å; T235-K239 PolarHBondContact O-N 2.84Å
236Y78.8Confident76.3Confident40 Ų4058.4 Ų58.416%0.15730%0.298CS..Hα-helixtrans-72.2-35.2171.1-84.9-74.6000112.9L197 H200 E204 L232 A233 E234 K239 T240 F277L197-Y236 HydrophobicContact CD1-CD2 4.35Å; L197-Y236 HydrophobicContact CD1-CG 4.28Å; H200-Y236 AromaticContact CD2-CE2 3.94Å; H200-Y236 AromaticContact NE2-CE2 3.57Å; H200-Y236 AromaticContact NE2-CZ 3.62Å; H200-Y236 PolarHBondContact NE2-OH 3.03Å; E204-Y236 PolarHBondContact OE2-OH 3.38Å; L232-Y236 HydrophobicContact CD2-CD2 4.42Å; L232-Y236 HydrophobicContact CD2-CE2 4.01Å; L232-Y236 HydrophobicContact CG-CD2 4.2Å; L232-Y236 HydrophobicContact CG-CE2 3.99Å; L232-Y236 VanDerWaalsContact O-CD2 3.26Å; L232-Y236 WeakPolarHBondContact O-CD2 3.28Å; L232-Y236 PolarHBondContact O-N 2.77Å; A233-Y236 WeakPolarHBondContact O-CB 3.43Å; A233-Y236 PolarHBondContact O-N 2.65Å; E234-Y236 PolarHBondContact O-N 3.06Å; Y236-K239 HydrophobicContact CD1-CD 4.46Å; Y236-K239 PolarHBondContact O-N 3.16Å; Y236-T240 WeakPolarHBondContact O-CG2 3.45Å; Y236-T240 PolarHBondContact O-N 3.11Å; Y236-T240 VanDerWaalsContact O-N 3.08Å; Y236-F277 AromaticContact CD1-CD2 3.99Å; Y236-F277 HydrophobicContact CD1-CD2 3.99Å; Y236-F277 AromaticContact CD1-CE2 3.93Å; Y236-F277 HydrophobicContact CD1-CE2 3.93Å; Y236-F277 HydrophobicContact CD1-CG 4.35Å; Y236-F277 HydrophobicContact CD1-CZ 4.25Å; Y236-F277 HydrophobicContact CE1-CD2 4.45Å; Y236-F277 HydrophobicContact CE1-CG 4.39Å
237M75.9Confident76.7Confident6 Ų658.3 Ų58.33%0.0330%0.298CS..Hα-helixtrans-66.9-39.9176.4-70.7-75.7-76.500112.3T7 V8 Y193 L197 A233 E234 T240 E241T7-M237 HydrophobicContact CG2-CE 4.17Å; V8-M237 HydrophobicContact CG2-SD 4Å; Y193-M237 HydrophobicContact CD1-CE 4.15Å; Y193-M237 HydrophobicContact CD1-CG 3.59Å; Y193-M237 HydrophobicContact CD1-SD 4.1Å; Y193-M237 HydrophobicContact CE1-CE 4.42Å; Y193-M237 HydrophobicContact CE1-CG 3.75Å; L197-M237 HydrophobicContact CD2-CG 4.21Å; L197-M237 HydrophobicContact CD2-SD 4.3Å; A233-M237 WeakPolarHBondContact O-CG 3.46Å; A233-M237 PolarHBondContact O-N 3.48Å; E234-M237 WeakPolarHBondContact O-CA 3.27Å; E234-M237 WeakPolarHBondContact O-CB 3.28Å; E234-M237 PolarHBondContact O-N 2.92Å; M237-T240 PolarHBondContact O-N 3.41Å; M237-T240 PolarHBondContact O-OG1 3.14Å; M237-E241 PolarHBondContact O-N 3.3Å
238D77.9Confident77Confident104 Ų10458.1 Ų58.156%0.55630%0.295SS*.Hα-helixtrans-64.8-41.8174.3-70.4-8.2000111.2E234 T240 E241E234-D238 PolarHBondContact O-N 2.94Å; D238-T240 PolarHBondContact O-N 2.98Å; D238-E241 PolarHBondContact O-N 2.74Å; D238-E241 VanDerWaalsContact O-N 3.08Å
239K77.5Confident77.3Confident111 Ų11153.8 Ų53.848%0.48327%0.273SS..Hα-helixtrans-59.5-25.5170.8-71.4166.1-173.6167.10112.8T235 Y236 F277T235-K239 WeakPolarHBondContact O-CD 3.47Å; T235-K239 WeakPolarHBondContact O-CG 3.32Å; T235-K239 PolarHBondContact O-N 2.84Å; Y236-K239 HydrophobicContact CD1-CD 4.46Å; Y236-K239 PolarHBondContact O-N 3.16Å; K239-F277 HydrophobicContact CB-CZ 4.37Å
240T73.4Confident77.6Confident0 Ų054.1 Ų54.10%027%0.274CS..Hα-helixtrans-79.3-21.7173.862.60000115.1V8 R11 Y236 M237 D238 K242 F243 F277V8-T240 HydrophobicContact CG1-CG2 3.82Å; R11-T240 WeakPolarHBondContact CB-OG1 3.23Å; Y236-T240 WeakPolarHBondContact O-CG2 3.45Å; Y236-T240 PolarHBondContact O-N 3.11Å; Y236-T240 VanDerWaalsContact O-N 3.08Å; M237-T240 PolarHBondContact O-N 3.41Å; M237-T240 PolarHBondContact O-OG1 3.14Å; D238-T240 PolarHBondContact O-N 2.98Å; T240-K242 VanDerWaalsContact C-N 3.3Å; T240-K242 PolarHBondContact O-N 2.98Å; T240-F243 WeakPolarHBondContact O-CB 3.43Å; T240-F243 PolarHBondContact O-N 2.84Å; T240-F277 HydrophobicContact CG2-CE2 3.6Å; T240-F277 HydrophobicContact CG2-CZ 3.88Å
241E69.6Low77.8Confident132 Ų13255.1 Ų55.162%0.61728%0.278SS*.Hα-helixtrans-69.7-31.5-179.1-170.9175.1-127.200112M237 D238M237-E241 PolarHBondContact O-N 3.3Å; D238-E241 PolarHBondContact O-N 2.74Å; D238-E241 VanDerWaalsContact O-N 3.08Å
242K69.2Low77.8Confident179 Ų17955.6 Ų55.678%0.77828%0.279SS*.THydrogen-bonded Turntrans-113.939.7174.6-63.6173.5-174.2165.50111.4T240 S244T240-K242 VanDerWaalsContact C-N 3.3Å; T240-K242 PolarHBondContact O-N 2.98Å; K242-S244 PolarHBondContact O-N 2.74Å
243F72.6Confident77.6Confident14 Ų1461 Ų616%0.06130%0.296CS..  trans-67.1120.6-176.1-171.8-96000112.6A12 A15 E16 T240 G245 P276 F277 F293A12-F243 HydrophobicContact CB-CB 4.4Å; A12-F243 HydrophobicContact CB-CD1 4Å; A12-F243 HydrophobicContact CB-CD2 4.49Å; A12-F243 HydrophobicContact CB-CE1 4.4Å; A12-F243 HydrophobicContact CB-CG 4.05Å; A15-F243 HydrophobicContact CB-CB 4.05Å; E16-F243 HydrophobicContact CG-CD1 4.06Å; T240-F243 WeakPolarHBondContact O-CB 3.43Å; T240-F243 PolarHBondContact O-N 2.84Å; F243-G245 WeakPolarHBondContact CE1-O 3.39Å; F243-P276 HydrophobicContact CE2-CB 3.82Å; F243-P276 HydrophobicContact CZ-CB 3.83Å; F243-P276 WeakPolarHBondContact CZ-O 3.46Å; F243-F277 HydrophobicContact CD2-CE1 4.04Å; F243-F277 AromaticContact CD2-CZ 3.96Å; F243-F277 HydrophobicContact CD2-CZ 3.96Å; F243-F277 HydrophobicContact CE2-CD1 4.25Å; F243-F277 AromaticContact CE2-CE1 3.67Å; F243-F277 HydrophobicContact CE2-CE1 3.67Å; F243-F277 AromaticContact CE2-CZ 3.95Å; F243-F277 HydrophobicContact CE2-CZ 3.95Å; F243-F293 HydrophobicContact CE1-CB 3.83Å; F243-F293 HydrophobicContact CZ-CB 4.35Å
244S65.1Low77.3Confident117 Ų11764.5 Ų64.582%0.81831%0.312SS*.  trans-136.589.7162.361.70000108K242K242-S244 PolarHBondContact O-N 2.74Å
245G68.3Low76.5Confident24 Ų2469.3 Ų69.325%0.24733%0.332CS..  trans-154.3167.5-167.400000114.7F243 T292F243-G245 WeakPolarHBondContact CE1-O 3.39Å; G245-T292 WeakPolarHBondContact O-CA 3.5Å
246K80.8Confident75.1Confident109 Ų10971.1 Ų71.147%0.47434%0.335SS..  trans-63.3148.8178.6-72-178.1171.3-177.20112.1F248 P276 E289 F290K246-F248 HydrophobicContact CB-CE2 4.01Å; K246-F248 HydrophobicContact CB-CZ 4.14Å; K246-P276 VanDerWaalsContact O-O 3.08Å; K246-E289 IonicContact NZ-OE2 3.56Å; K246-E289 PolarHBondContact NZ-OE2 2.86Å; K246-F290 CarbonylContact C-O 3.53Å; K246-F290 WeakPolarHBondContact CA-O 3.49Å; K246-F290 VanDerWaalsContact CB-O 3.24Å; K246-F290 WeakPolarHBondContact CB-O 3.29Å
247G84.1Confident73.8Confident0 Ų074.7 Ų74.70%036%0.363CS..EExtended strand (participates in β ladder)trans-98.3142.816700000112.2F290G247-F290 PolarHBondContact N-O 3.24Å; G247-F290 PolarHBondContact O-N 3.44Å
248F85.6Confident72.3Confident25 Ų2577.4 Ų77.411%0.1138%0.383CS..EExtended strand (participates in β ladder)trans-118.6127.7179-61.2-93.6000111K246 F274 H275 L278 H287 L288 E289K246-F248 HydrophobicContact CB-CE2 4.01Å; K246-F248 HydrophobicContact CB-CZ 4.14Å; F248-F274 CarbonylContact O-C 3.55Å; F248-F274 VanDerWaalsContact O-CA 3.31Å; F248-F274 WeakPolarHBondContact O-CA 3.4Å; F248-H275 PolarHBondContact N-O 3.08Å; F248-H275 PolarHBondContact O-N 2.96Å; F248-L278 HydrophobicContact CD1-CB 4Å; F248-L278 HydrophobicContact CD1-CD1 4.27Å; F248-L278 HydrophobicContact CD2-CB 4.41Å; F248-L278 HydrophobicContact CE1-CB 3.88Å; F248-L278 HydrophobicContact CE1-CD2 4.48Å; F248-L278 HydrophobicContact CE2-CB 4.32Å; F248-L278 HydrophobicContact CG-CB 4.27Å; F248-L278 HydrophobicContact CZ-CB 4.05Å; F248-H287 AromaticContact CD1-CD2 3.81Å; F248-L288 WeakPolarHBondContact CA-O 3.1Å; F248-E289 HydrophobicContact CD1-CG 3.97Å; F248-E289 HydrophobicContact CE1-CG 3.76Å
249I86.9Confident71.1Confident0 Ų080.9 Ų80.90%040%0.4CS..EExtended strand (participates in β ladder)trans-106127.6167-54.6176.7000108.7Y271 H287 L288 F290 A296 E299 F300I249-Y271 HydrophobicContact CD1-CE2 4.03Å; I249-Y271 HydrophobicContact CG2-CD1 4.02Å; I249-Y271 HydrophobicContact CG2-CD2 4.14Å; I249-Y271 HydrophobicContact CG2-CE1 4.26Å; I249-Y271 HydrophobicContact CG2-CE2 4.37Å; I249-Y271 HydrophobicContact CG2-CG 3.94Å; I249-H287 CarbonylContact O-C 3.49Å; I249-H287 VanDerWaalsContact O-CA 3.26Å; I249-H287 WeakPolarHBondContact O-CA 3.42Å; I249-L288 HydrophobicContact CB-CB 4.39Å; I249-L288 PolarHBondContact N-O 2.95Å; I249-L288 PolarHBondContact O-N 3.29Å; I249-F290 HydrophobicContact CB-CE2 4.29Å; I249-F290 HydrophobicContact CD1-CD2 4.24Å; I249-F290 HydrophobicContact CD1-CE2 3.34Å; I249-F290 HydrophobicContact CD1-CZ 3.62Å; I249-F290 HydrophobicContact CG1-CD2 4.19Å; I249-F290 HydrophobicContact CG1-CE2 3.62Å; I249-F290 HydrophobicContact CG1-CZ 4.4Å; I249-A296 VanDerWaalsContact CD1-O 3.28Å; I249-A296 WeakPolarHBondContact CD1-O 3.45Å; I249-A296 HydrophobicContact CG1-CB 4.02Å; I249-E299 HydrophobicContact CD1-CB 4.3Å; I249-E299 HydrophobicContact CD1-CG 4.31Å; I249-F300 HydrophobicContact CD1-CB 4.11Å; I249-F300 HydrophobicContact CG2-CD2 3.98Å
250I85.2Confident69.6Low9 Ų978.1 Ų78.15%0.04640%0.398CS..EExtended strand (participates in β ladder)trans-94.9126.2177.5-61.9130.1000109.3D272 E273 H275 H282I250-D272 PolarHBondContact O-N 3.13Å; I250-E273 HydrophobicContact CD1-CB 4.05Å; I250-E273 PolarHBondContact N-O 3.16Å; I250-E273 PolarHBondContact O-N 2.85Å; I250-H275 VanDerWaalsContact CD1-ND1 3.34Å; I250-H275 WeakPolarHBondContact CD1-ND1 3.25Å; I250-H282 HydrophobicContact CD1-CB 4.16Å; I250-H282 WeakPolarHBondContact CD1-CD2 3.49Å; I250-H282 HydrophobicContact CG1-CB 4.01Å
251Q83.4Confident68.3Low28 Ų2884.5 Ų84.513%0.13144%0.439CS..EExtended strand (participates in β ladder)trans-101.3141.8176.9-49-173.5-8200110.4L269 T270 Y271 P286 L288Q251-L269 HydrophobicContact CB-CB 4.29Å; Q251-L269 HydrophobicContact CB-CD2 3.96Å; Q251-T270 CarbonylContact C-O 3.52Å; Q251-T270 WeakPolarHBondContact CA-O 3.37Å; Q251-Y271 HydrophobicContact CG-CD1 4.02Å; Q251-Y271 HydrophobicContact CG-CE1 4.14Å; Q251-P286 HydrophobicContact CB-CG 4.25Å; Q251-P286 WeakPolarHBondContact CB-O 3.49Å; Q251-P286 PolarHBondContact N-O 3.16Å; Q251-P286 WeakPolarHBondContact O-CD 3.39Å; Q251-P286 WeakPolarHBondContact O-CG 3.33Å; Q251-L288 HydrophobicContact CG-CD1 4.36Å; Q251-L288 HydrophobicContact CG-CG 4.3Å
252K79.6Confident67.5Low97 Ų9782.3 Ų82.342%0.42245%0.452SS..EExtended strand (participates in β ladder)trans-106.5131.5171.3-174.3179171.8-1490109E254 T270 D272K252-E254 HydrophobicContact CD-CG 4.24Å; K252-E254 WeakPolarHBondContact CE-OE1 3.38Å; K252-E254 HydrophobicContact CG-CG 4.1Å; K252-E254 IonicContact NZ-OE1 3.87Å; K252-E254 PolarHBondContact NZ-OE1 2.89Å; K252-E254 PolarHBondContact O-N 2.67Å; K252-T270 PolarHBondContact N-O 2.88Å; K252-T270 PolarHBondContact O-N 3.49Å; K252-D272 HydrophobicContact CB-CB 4.16Å; K252-D272 WeakPolarHBondContact CD-OD2 3.18Å
253R76.6Confident66.6Low160 Ų16080.6 Ų80.660%0.60445%0.445SS*.EExtended strand (participates in β ladder)trans-80.5112.9174.2-61.9-171.2-171.3-158.37.5109.5D267 L269 P286R253-D267 IonicContact NH1-OD2 3.12Å; R253-L269 HydrophobicContact CG-CD2 3.8Å; R253-L269 HydrophobicContact CG-CG 4.5Å; R253-P286 HydrophobicContact CG-CG 4.19Å
254E70.8Confident65.5Low73 Ų7385.6 Ų85.634%0.34148%0.478SS..EExtended strand (participates in β ladder)trans-116.7109.9177.3-64.1-172.2140.600109.3K252 K256 L268 T270K252-E254 HydrophobicContact CD-CG 4.24Å; K252-E254 WeakPolarHBondContact CE-OE1 3.38Å; K252-E254 HydrophobicContact CG-CG 4.1Å; K252-E254 IonicContact NZ-OE1 3.87Å; K252-E254 PolarHBondContact NZ-OE1 2.89Å; K252-E254 PolarHBondContact O-N 2.67Å; E254-K256 PolarHBondContact O-N 3.03Å; E254-L268 PolarHBondContact N-O 2.9Å; E254-L268 WeakPolarHBondContact O-CB 3.22Å; E254-L268 PolarHBondContact O-N 2.97Å; E254-T270 WeakPolarHBondContact OE2-CB 3.33Å; E254-T270 PolarHBondContact OE2-OG1 2.77Å
255K62.1Low64.8Low163 Ų16381.7 Ų81.771%0.70946%0.457SS*.EExtended strand (participates in β ladder)trans-69.7112.1177.8-73.5-178.5177.5-174.20109.6D267K255-D267 WeakPolarHBondContact CE-OD1 3.5Å; K255-D267 VanDerWaalsContact CG-OD1 3.22Å; K255-D267 WeakPolarHBondContact CG-OD1 3.49Å
256K54.6Low64.2Low102 Ų10287.1 Ų87.144%0.44348%0.476SS..PPolyproline II helixtrans-66.1134.9170.6-74.4-179.6-177.61690109.5E254 S258 L268E254-K256 PolarHBondContact O-N 3.03Å; K256-S258 PolarHBondContact O-N 3.47Å; K256-L268 HydrophobicContact CG-CB 4.28Å
257P51.4Low63.1Low115 Ų11585 Ų8575%0.74747%0.47SS*.PPolyproline II helixtrans-63.9118.4161.127.7-31.9000108.2L259P257-L259 PolarHBondContact O-N 3Å
258S43.9Very low62.1Low64 Ų6488.5 Ų88.545%0.44849%0.488SS..PPolyproline II helixtrans-70121.6-179.529.50000110.7K256 A260 K263K256-S258 PolarHBondContact O-N 3.47Å; S258-A260 PolarHBondContact O-N 3.23Å; S258-K263 PolarHBondContact OG-O 2.9Å
259L51.9Low61.4Low177 Ų17790.8 Ų90.893%0.92750%0.501SS*.SBendtrans-71.4-7.7174.8-90.974.2000113.3P257P257-L259 PolarHBondContact O-N 3Å
260A47.4Very low60.9Low52 Ų5291.7 Ų91.743%0.4351%0.506SS..SBendtrans-111120.9176.700000109.8S258 G262S258-A260 PolarHBondContact O-N 3.23Å; A260-G262 PolarHBondContact O-N 3.4Å
261P46.3Very low60.7Low135 Ų13592.8 Ų92.888%0.87751%0.51SS*.THydrogen-bonded Turntrans-57.8136172.9-23.333.8000111.5
262G51.9Low60.7Low85 Ų8593.3 Ų93.388%0.87651%0.514SS*.THydrogen-bonded Turntrans91.1-6.7169.800000117.3A260A260-G262 PolarHBondContact O-N 3.4Å
263K51.4Low60.9Low144 Ų14491 Ų9163%0.62651%0.505SS*.SBendtrans-89.1137.3165.5-80.9-164.9172.4-168.30111.2S258S258-K263 PolarHBondContact OG-O 2.9Å
264P48.5Very low61.4Low118 Ų11883.4 Ų83.477%0.76648%0.476SS*.PPolyproline II helixtrans-58.9142.1167.727.7-34000109.4E266P264-E266 PolarHBondContact O-N 3.34Å
265G50Low62.1Low36 Ų3680 Ų8037%0.37146%0.46SS..PPolyproline II helixtrans-64123.7-17900000111.1D267G265-D267 PolarHBondContact O-N 2.82Å
266E56.6Low63.1Low137 Ų13772.3 Ų72.364%0.6443%0.427SS*.PPolyproline II helixtrans-64.1118.4173.1-67.6170-178.700109.3P264 L268P264-E266 PolarHBondContact O-N 3.34Å; E266-L268 PolarHBondContact O-N 3.13Å
267D56.3Low64.4Low65 Ų6569.3 Ų69.335%0.34841%0.414SS..EExtended strand (participates in β ladder)trans-63.2103.3171-92.45.7000108.3R253 K255 G265 L269R253-D267 IonicContact NH1-OD2 3.12Å; K255-D267 WeakPolarHBondContact CE-OD1 3.5Å; K255-D267 VanDerWaalsContact CG-OD1 3.22Å; K255-D267 WeakPolarHBondContact CG-OD1 3.49Å; G265-D267 PolarHBondContact O-N 2.82Å; D267-L269 PolarHBondContact O-N 2.83Å
268L63.8Low65.8Low74 Ų7466.6 Ų66.639%0.38739%0.393SS..EExtended strand (participates in β ladder)trans-79.4118.9171.8-17174.5000108.7E254 K256 E266 T270E254-L268 PolarHBondContact N-O 2.9Å; E254-L268 WeakPolarHBondContact O-CB 3.22Å; E254-L268 PolarHBondContact O-N 2.97Å; K256-L268 HydrophobicContact CG-CB 4.28Å; E266-L268 PolarHBondContact O-N 3.13Å; L268-T270 PolarHBondContact O-N 3.06Å
269L70.7Confident67.6Low73 Ų7363.6 Ų63.638%0.38237%0.372SS..EExtended strand (participates in β ladder)trans-85.584.1172.9-72.6141.2000109.8Q251 R253 D267 P286Q251-L269 HydrophobicContact CB-CB 4.29Å; Q251-L269 HydrophobicContact CB-CD2 3.96Å; R253-L269 HydrophobicContact CG-CD2 3.8Å; R253-L269 HydrophobicContact CG-CG 4.5Å; D267-L269 PolarHBondContact O-N 2.83Å; L269-P286 HydrophobicContact CD2-CB 4.12Å; L269-P286 HydrophobicContact CD2-CG 3.78Å
270T76Confident68.6Low18 Ų1857.3 Ų57.311%0.1135%0.345CS..EExtended strand (participates in β ladder)trans-74.6136.2177.3-39.20000110M1 Q251 K252 E254 L268M1-T270 HydrophobicContact CE-CG2 3.4Å; M1-T270 VanDerWaalsContact CE-CG2 3.4Å; Q251-T270 CarbonylContact C-O 3.52Å; Q251-T270 WeakPolarHBondContact CA-O 3.37Å; K252-T270 PolarHBondContact N-O 2.88Å; K252-T270 PolarHBondContact O-N 3.49Å; E254-T270 WeakPolarHBondContact OE2-CB 3.33Å; E254-T270 PolarHBondContact OE2-OG1 2.77Å; L268-T270 PolarHBondContact O-N 3.06Å
271Y82.4Confident69.9Low33 Ų3356.9 Ų56.913%0.12933%0.334CS..EExtended strand (participates in β ladder)trans-71.1129.1173.9-71.8-4.1000110.5I249 Q251 L288 E299 F300 K303I249-Y271 HydrophobicContact CD1-CE2 4.03Å; I249-Y271 HydrophobicContact CG2-CD1 4.02Å; I249-Y271 HydrophobicContact CG2-CD2 4.14Å; I249-Y271 HydrophobicContact CG2-CE1 4.26Å; I249-Y271 HydrophobicContact CG2-CE2 4.37Å; I249-Y271 HydrophobicContact CG2-CG 3.94Å; Q251-Y271 HydrophobicContact CG-CD1 4.02Å; Q251-Y271 HydrophobicContact CG-CE1 4.14Å; Y271-L288 HydrophobicContact CE1-CD1 3.66Å; Y271-L288 WeakPolarHBondContact OH-CD1 3.3Å; Y271-E299 HydrophobicContact CE2-CG 4.44Å; Y271-F300 AromaticContact CD2-CD2 3.97Å; Y271-F300 HydrophobicContact CD2-CD2 3.97Å; Y271-F300 HydrophobicContact CG-CD2 4.28Å; Y271-K303 HydrophobicContact CD2-CD 4.19Å; Y271-K303 HydrophobicContact CE2-CB 4.45Å; Y271-K303 HydrophobicContact CE2-CD 3.42Å; Y271-K303 VanDerWaalsContact CE2-CD 3.42Å; Y271-K303 PolarHBondContact OH-NZ 2.82Å
272D81.9Confident71.1Confident39 Ų3951.4 Ų51.421%0.20930%0.297CS..EExtended strand (participates in β ladder)trans-112-56.1-178.6-147.5-3.4000111.8M1 K2 I250 K252M1-D272 CarbonylContact C-O 3.52Å; M1-D272 WeakPolarHBondContact CA-O 3.39Å; M1-D272 WeakPolarHBondContact CA-OD1 3.39Å; M1-D272 VanDerWaalsContact CG-OD1 3.31Å; M1-D272 WeakPolarHBondContact CG-OD1 3.28Å; M1-D272 PolarHBondContact N-OD1 2.86Å; K2-D272 PolarHBondContact N-O 3.38Å; I250-D272 PolarHBondContact O-N 3.13Å; K252-D272 HydrophobicContact CB-CB 4.16Å; K252-D272 WeakPolarHBondContact CD-OD2 3.18Å
273E84.1Confident72.1Confident49 Ų4951.3 Ų51.323%0.22928%0.279CS..EExtended strand (participates in β ladder)trans-137.8162.7-174.4-52.6-160.1141.800112.7K2 I250 H275 H282K2-E273 HydrophobicContact CB-CB 4.08Å; K2-E273 HydrophobicContact CB-CG 3.99Å; I250-E273 HydrophobicContact CD1-CB 4.05Å; I250-E273 PolarHBondContact N-O 3.16Å; I250-E273 PolarHBondContact O-N 2.85Å; E273-H275 IonicContact OE2-CE1 2.8Å; E273-H282 IonicContact OE2-CE1 3.47Å; E273-H282 PolarHBondContact OE2-CE1 3.06Å; E273-H282 IonicContact OE2-NE2 2.62Å
274F87.8Confident73.1Confident0 Ų052.3 Ų52.30%029%0.292CS..EExtended strand (participates in β ladder)trans-136.7137.6179.262.1-90000109.6K2 F5 F248 F293 V297 F300 F301K2-F274 HydrophobicContact CB-CD1 4.29Å; K2-F274 HydrophobicContact CB-CE1 4.08Å; K2-F274 HydrophobicContact CD-CD1 4.02Å; K2-F274 HydrophobicContact CD-CE1 3.83Å; K2-F274 HydrophobicContact CD-CE2 4.33Å; K2-F274 HydrophobicContact CD-CG 4.36Å; K2-F274 HydrophobicContact CD-CZ 3.98Å; K2-F274 WeakPolarHBondContact CD-O 3.49Å; K2-F274 HydrophobicContact CG-CD1 4.24Å; K2-F274 HydrophobicContact CG-CE1 3.72Å; K2-F274 HydrophobicContact CG-CZ 4.08Å; K2-F274 PolarHBondContact NZ-O 3.03Å; F5-F274 HydrophobicContact CD1-CE2 4.17Å; F5-F274 AromaticContact CD1-CZ 3.97Å; F5-F274 HydrophobicContact CD1-CZ 3.97Å; F5-F274 HydrophobicContact CE1-CE2 4.1Å; F5-F274 HydrophobicContact CE1-CZ 4.09Å; F248-F274 CarbonylContact O-C 3.55Å; F248-F274 VanDerWaalsContact O-CA 3.31Å; F248-F274 WeakPolarHBondContact O-CA 3.4Å; F274-F293 AromaticContact CD2-CE2 3.9Å; F274-F293 HydrophobicContact CD2-CE2 3.9Å; F274-F293 AromaticContact CD2-CZ 3.75Å; F274-F293 HydrophobicContact CD2-CZ 3.75Å; F274-F293 HydrophobicContact CE2-CZ 4.09Å; F274-V297 HydrophobicContact CD2-CG2 3.86Å; F274-V297 HydrophobicContact CE2-CG2 4.16Å; F274-F300 AromaticContact CD1-CD1 3.62Å; F274-F300 HydrophobicContact CD1-CD1 3.62Å; F274-F300 HydrophobicContact CD1-CD2 4.31Å; F274-F300 AromaticContact CD1-CE1 3.5Å; F274-F300 HydrophobicContact CD1-CE1 3.5Å; F274-F300 HydrophobicContact CD1-CE2 4.21Å; F274-F300 HydrophobicContact CD1-CG 4.04Å; F274-F300 AromaticContact CD1-CZ 3.82Å; F274-F300 HydrophobicContact CD1-CZ 3.82Å; F274-F300 HydrophobicContact CE1-CD1 4.03Å; F274-F300 AromaticContact CE1-CE1 3.72Å; F274-F300 HydrophobicContact CE1-CE1 3.72Å; F274-F300 HydrophobicContact CE1-CZ 4.3Å; F274-F300 HydrophobicContact CG-CD1 4.5Å; F274-F301 HydrophobicContact CD1-CE2 4.35Å; F274-F301 AromaticContact CE1-CE2 3.64Å; F274-F301 HydrophobicContact CE1-CE2 3.64Å; F274-F301 AromaticContact CE1-CZ 3.79Å; F274-F301 HydrophobicContact CE1-CZ 3.79Å; F274-F301 HydrophobicContact CE2-CE2 4.5Å; F274-F301 AromaticContact CZ-CE2 3.74Å; F274-F301 HydrophobicContact CZ-CE2 3.74Å; F274-F301 HydrophobicContact CZ-CZ 4.01Å
275H84.3Confident74.4Confident1 Ų148.8 Ų48.81%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-145.1148.1-176-70.7118.5000112.7K2 F248 I250 E273 F277 F279 H282K2-H275 PolarHBondContact NZ-CD2 3.49Å; K2-H275 PolarHBondContact NZ-NE2 2.98Å; K2-H275 VanDerWaalsContact NZ-NE2 3.12Å; F248-H275 PolarHBondContact N-O 3.08Å; F248-H275 PolarHBondContact O-N 2.96Å; I250-H275 VanDerWaalsContact CD1-ND1 3.34Å; I250-H275 WeakPolarHBondContact CD1-ND1 3.25Å; E273-H275 IonicContact OE2-CE1 2.8Å; H275-F277 VanDerWaalsContact CB-O 3.3Å; H275-F277 WeakPolarHBondContact CB-O 3.25Å; H275-F277 PolarHBondContact O-N 3.48Å; H275-F279 HydrophobicContact CB-CD2 4.4Å; H275-F279 HydrophobicContact CB-CE2 4.2Å; H275-F279 AromaticContact CD2-CE2 3.41Å; H275-F279 VanDerWaalsContact CD2-CE2 3.41Å; H275-F279 WeakPolarHBondContact CD2-CE2 3.38Å; H275-F279 AromaticContact CG-CD2 3.87Å; H275-F279 AromaticContact CG-CE2 3.66Å; H275-F279 AromaticContact ND1-CD2 3.98Å; H275-F279 AromaticContact NE2-CE2 3.85Å; H275-H282 AromaticContact CE1-NE2 3.53Å; H275-H282 AromaticContact ND1-CD2 3.86Å; H275-H282 AromaticContact ND1-NE2 3.57Å
276P83.7Confident75.9Confident2 Ų249 Ų491%0.01326%0.264CS..SBendtrans-70.1-17.8172.5-16.829.9000113.8A12 F243 K246 F293A12-P276 HydrophobicContact CB-CB 3.97Å; A12-P276 HydrophobicContact CB-CG 3.79Å; F243-P276 HydrophobicContact CE2-CB 3.82Å; F243-P276 HydrophobicContact CZ-CB 3.83Å; F243-P276 WeakPolarHBondContact CZ-O 3.46Å; K246-P276 VanDerWaalsContact O-O 3.08Å; P276-F293 HydrophobicContact CB-CD1 4.49Å; P276-F293 HydrophobicContact CB-CD2 4.25Å; P276-F293 HydrophobicContact CB-CE2 4.45Å; P276-F293 HydrophobicContact CB-CG 4.28Å; P276-F293 HydrophobicContact CG-CD1 4.07Å; P276-F293 HydrophobicContact CG-CD2 4.14Å; P276-F293 HydrophobicContact CG-CE1 3.81Å; P276-F293 HydrophobicContact CG-CE2 3.88Å; P276-F293 HydrophobicContact CG-CG 4.24Å; P276-F293 HydrophobicContact CG-CZ 3.7Å
277F82.4Confident77.1Confident38 Ų3845.3 Ų45.317%0.16725%0.247CC..SBendtrans-133.4150.3179.3-53.2-69.2000109.9Y236 K239 T240 F243 H275 F279Y236-F277 AromaticContact CD1-CD2 3.99Å; Y236-F277 HydrophobicContact CD1-CD2 3.99Å; Y236-F277 AromaticContact CD1-CE2 3.93Å; Y236-F277 HydrophobicContact CD1-CE2 3.93Å; Y236-F277 HydrophobicContact CD1-CG 4.35Å; Y236-F277 HydrophobicContact CD1-CZ 4.25Å; Y236-F277 HydrophobicContact CE1-CD2 4.45Å; Y236-F277 HydrophobicContact CE1-CG 4.39Å; K239-F277 HydrophobicContact CB-CZ 4.37Å; T240-F277 HydrophobicContact CG2-CE2 3.6Å; T240-F277 HydrophobicContact CG2-CZ 3.88Å; F243-F277 HydrophobicContact CD2-CE1 4.04Å; F243-F277 AromaticContact CD2-CZ 3.96Å; F243-F277 HydrophobicContact CD2-CZ 3.96Å; F243-F277 HydrophobicContact CE2-CD1 4.25Å; F243-F277 AromaticContact CE2-CE1 3.67Å; F243-F277 HydrophobicContact CE2-CE1 3.67Å; F243-F277 AromaticContact CE2-CZ 3.95Å; F243-F277 HydrophobicContact CE2-CZ 3.95Å; H275-F277 VanDerWaalsContact CB-O 3.3Å; H275-F277 WeakPolarHBondContact CB-O 3.25Å; H275-F277 PolarHBondContact O-N 3.48Å; F277-F279 HydrophobicContact CB-CD1 4.29Å; F277-F279 HydrophobicContact CB-CE1 4.13Å; F277-F279 HydrophobicContact CD2-CE1 4.27Å; F277-F279 PolarHBondContact O-N 2.98Å; F277-F279 VanDerWaalsContact O-N 3.11Å
278L80.8Confident78.4Confident58 Ų5844.9 Ų44.930%0.30425%0.245SC..  trans-77.691168.8-175.564.5000109.3F248 H282F248-L278 HydrophobicContact CD1-CB 4Å; F248-L278 HydrophobicContact CD1-CD1 4.27Å; F248-L278 HydrophobicContact CD2-CB 4.41Å; F248-L278 HydrophobicContact CE1-CB 3.88Å; F248-L278 HydrophobicContact CE1-CD2 4.48Å; F248-L278 HydrophobicContact CE2-CB 4.32Å; F248-L278 HydrophobicContact CG-CB 4.27Å; F248-L278 HydrophobicContact CZ-CB 4.05Å; L278-H282 HydrophobicContact CD1-CB 4.48Å
279F80.6Confident79.4Confident2 Ų245.9 Ų45.91%0.00925%0.247CC..  trans-64.5143.4174.8-61.6-39.1000111.5L197 H200 H275 F277 Q281 H282L197-F279 HydrophobicContact CD1-CE1 3.98Å; L197-F279 HydrophobicContact CD1-CZ 4.35Å; H200-F279 HydrophobicContact CB-CB 3.93Å; H200-F279 HydrophobicContact CB-CD1 3.75Å; H200-F279 HydrophobicContact CB-CE1 4.39Å; H200-F279 HydrophobicContact CB-CG 3.86Å; H200-F279 AromaticContact CD2-CD1 3.67Å; H200-F279 AromaticContact CG-CD1 3.43Å; H200-F279 VanDerWaalsContact CG-CD1 3.43Å; H200-F279 AromaticContact CG-CG 3.87Å; H200-F279 WeakPolarHBondContact ND1-CA 3.33Å; H200-F279 AromaticContact ND1-CD1 3.96Å; H275-F279 HydrophobicContact CB-CD2 4.4Å; H275-F279 HydrophobicContact CB-CE2 4.2Å; H275-F279 AromaticContact CD2-CE2 3.41Å; H275-F279 VanDerWaalsContact CD2-CE2 3.41Å; H275-F279 WeakPolarHBondContact CD2-CE2 3.38Å; H275-F279 AromaticContact CG-CD2 3.87Å; H275-F279 AromaticContact CG-CE2 3.66Å; H275-F279 AromaticContact ND1-CD2 3.98Å; H275-F279 AromaticContact NE2-CE2 3.85Å; F277-F279 HydrophobicContact CB-CD1 4.29Å; F277-F279 HydrophobicContact CB-CE1 4.13Å; F277-F279 HydrophobicContact CD2-CE1 4.27Å; F277-F279 PolarHBondContact O-N 2.98Å; F277-F279 VanDerWaalsContact O-N 3.11Å; F279-Q281 HydrophobicContact CB-CG 4.03Å; F279-Q281 PolarHBondContact O-N 3.48Å; F279-H282 PolarHBondContact O-N 3.38Å
280A74.3Confident80.2Confident44 Ų4444.6 Ų44.636%0.36424%0.238SC..G310 helixtrans-54.9-31.6-176.600000113.3H200 H282 T283H200-A280 PolarHBondContact CE1-N 3.01Å; H200-A280 PolarHBondContact ND1-N 2.95Å; A280-H282 PolarHBondContact O-N 3.04Å; A280-H282 VanDerWaalsContact O-N 3.15Å; A280-T283 PolarHBondContact O-N 2.99Å; A280-T283 PolarHBondContact O-OG1 2.81Å
281Q74.4Confident80.6Confident44 Ų4450.8 Ų50.821%0.20627%0.266CS..G310 helixtrans-61-18.9175.577.1-168.518.800114.4E199 M203 F279E199-Q281 VanDerWaalsContact CG-OE1 3.31Å; M203-Q281 HydrophobicContact CE-CB 3.47Å; M203-Q281 VanDerWaalsContact CE-CB 3.47Å; M203-Q281 HydrophobicContact SD-CB 4.39Å; F279-Q281 HydrophobicContact CB-CG 4.03Å; F279-Q281 PolarHBondContact O-N 3.48Å
282H72Confident80.7Confident20 Ų2051 Ų519%0.09327%0.271CS..G310 helixtrans-113.1-6-176.1-60-59.5000114.4I250 E273 H275 L278 F279 A280 N284 S285I250-H282 HydrophobicContact CD1-CB 4.16Å; I250-H282 WeakPolarHBondContact CD1-CD2 3.49Å; I250-H282 HydrophobicContact CG1-CB 4.01Å; E273-H282 IonicContact OE2-CE1 3.47Å; E273-H282 PolarHBondContact OE2-CE1 3.06Å; E273-H282 IonicContact OE2-NE2 2.62Å; H275-H282 AromaticContact CE1-NE2 3.53Å; H275-H282 AromaticContact ND1-CD2 3.86Å; H275-H282 AromaticContact ND1-NE2 3.57Å; L278-H282 HydrophobicContact CD1-CB 4.48Å; F279-H282 PolarHBondContact O-N 3.38Å; A280-H282 PolarHBondContact O-N 3.04Å; A280-H282 VanDerWaalsContact O-N 3.15Å; H282-N284 PolarHBondContact O-N 3.1Å; H282-S285 WeakPolarHBondContact O-CB 3.19Å; H282-S285 PolarHBondContact O-N 2.68Å
283T72.1Confident81Confident83 Ų8349.1 Ų49.151%0.50926%0.261SS..THydrogen-bonded Turntrans-56.5-26.8-178-47.80000113.5A280A280-T283 PolarHBondContact O-N 2.99Å; A280-T283 PolarHBondContact O-OG1 2.81Å
284N71.4Confident81.1Confident165 Ų16547.5 Ų47.588%0.88225%0.254SS*.THydrogen-bonded Turntrans-901.9176.9-64.8-27.8000114.1H282H282-N284 PolarHBondContact O-N 3.1Å
285S76.1Confident81Confident44 Ų4451.4 Ų51.431%0.30827%0.271SS..SBendtrans-103.8147.4178.3-61.10000110.7H282 H287H282-S285 WeakPolarHBondContact O-CB 3.19Å; H282-S285 PolarHBondContact O-N 2.68Å; S285-H287 PolarHBondContact O-N 3.04Å
286P81.1Confident81.2Confident40 Ų4051.3 Ų51.326%0.2627%0.271SS..  trans-66.5119.5176.225.8-30.4000110.6Q251 R253 L269Q251-P286 HydrophobicContact CB-CG 4.25Å; Q251-P286 WeakPolarHBondContact CB-O 3.49Å; Q251-P286 PolarHBondContact N-O 3.16Å; Q251-P286 WeakPolarHBondContact O-CD 3.39Å; Q251-P286 WeakPolarHBondContact O-CG 3.33Å; R253-P286 HydrophobicContact CG-CG 4.19Å; L269-P286 HydrophobicContact CD2-CB 4.12Å; L269-P286 HydrophobicContact CD2-CG 3.78Å
287H82.3Confident81.4Confident60 Ų6051.2 Ų51.228%0.27827%0.27SS..EExtended strand (participates in β ladder)trans-113.9158.6178.970.7-86.9000112.6F248 I249 S285 E289F248-H287 AromaticContact CD1-CD2 3.81Å; I249-H287 CarbonylContact O-C 3.49Å; I249-H287 VanDerWaalsContact O-CA 3.26Å; I249-H287 WeakPolarHBondContact O-CA 3.42Å; S285-H287 PolarHBondContact O-N 3.04Å; H287-E289 IonicContact CD2-OE1 2.74Å; H287-E289 IonicContact CE1-OE1 3.99Å; H287-E289 IonicContact NE2-OE1 3.97Å; H287-E289 PolarHBondContact NE2-OE1 3.18Å
288L83.7Confident81.7Confident56 Ų5649.7 Ų49.729%0.29326%0.263SS..EExtended strand (participates in β ladder)trans-116.4132.3169.6-62.3174.5000109F248 I249 Q251 Y271 F290F248-L288 WeakPolarHBondContact CA-O 3.1Å; I249-L288 HydrophobicContact CB-CB 4.39Å; I249-L288 PolarHBondContact N-O 2.95Å; I249-L288 PolarHBondContact O-N 3.29Å; Q251-L288 HydrophobicContact CG-CD1 4.36Å; Q251-L288 HydrophobicContact CG-CG 4.3Å; Y271-L288 HydrophobicContact CE1-CD1 3.66Å; Y271-L288 WeakPolarHBondContact OH-CD1 3.3Å; L288-F290 HydrophobicContact CB-CE2 3.75Å; L288-F290 HydrophobicContact CB-CZ 4.35Å
289E86Confident82Confident94 Ų9448.9 Ų48.944%0.43926%0.258SS..EExtended strand (participates in β ladder)trans-100.1141.6178.7-58.2-169.9-17000111.6K246 F248 H287K246-E289 IonicContact NZ-OE2 3.56Å; K246-E289 PolarHBondContact NZ-OE2 2.86Å; F248-E289 HydrophobicContact CD1-CG 3.97Å; F248-E289 HydrophobicContact CE1-CG 3.76Å; H287-E289 IonicContact CD2-OE1 2.74Å; H287-E289 IonicContact CE1-OE1 3.99Å; H287-E289 IonicContact NE2-OE1 3.97Å; H287-E289 PolarHBondContact NE2-OE1 3.18Å
290F86Confident82.3Confident46 Ų4648.9 Ų48.920%0.20226%0.258CS..EExtended strand (participates in β ladder)trans-131.3150.3176.1-62.5-99.2000109.6K246 G247 I249 L288 T292 K295 A296 E299K246-F290 CarbonylContact C-O 3.53Å; K246-F290 WeakPolarHBondContact CA-O 3.49Å; K246-F290 VanDerWaalsContact CB-O 3.24Å; K246-F290 WeakPolarHBondContact CB-O 3.29Å; G247-F290 PolarHBondContact N-O 3.24Å; G247-F290 PolarHBondContact O-N 3.44Å; I249-F290 HydrophobicContact CB-CE2 4.29Å; I249-F290 HydrophobicContact CD1-CD2 4.24Å; I249-F290 HydrophobicContact CD1-CE2 3.34Å; I249-F290 HydrophobicContact CD1-CZ 3.62Å; I249-F290 HydrophobicContact CG1-CD2 4.19Å; I249-F290 HydrophobicContact CG1-CE2 3.62Å; I249-F290 HydrophobicContact CG1-CZ 4.4Å; L288-F290 HydrophobicContact CB-CE2 3.75Å; L288-F290 HydrophobicContact CB-CZ 4.35Å; F290-T292 PolarHBondContact O-N 3.13Å; F290-T292 VanDerWaalsContact O-N 3.15Å; F290-K295 HydrophobicContact CB-CB 4.42Å; F290-K295 HydrophobicContact CD1-CB 4.42Å; F290-A296 HydrophobicContact CB-CB 4.03Å; F290-A296 HydrophobicContact CD2-CB 3.63Å; F290-A296 HydrophobicContact CE2-CB 4.34Å; F290-A296 HydrophobicContact CG-CB 3.89Å; F290-E299 HydrophobicContact CE1-CB 4.09Å; F290-E299 HydrophobicContact CE1-CG 4.01Å; F290-E299 HydrophobicContact CZ-CB 4.23Å; F290-E299 HydrophobicContact CZ-CG 3.92Å
291E84.4Confident82.9Confident148 Ų14847.1 Ų47.169%0.69224%0.242SC*.SBendtrans-60.2-26.4-176.1-57.9165.6141.100114.3K295E291-K295 IonicContact OE2-NZ 2.71Å; E291-K295 PolarHBondContact OE2-NZ 2.99Å
292T85.8Confident83.4Confident38 Ų3845.2 Ų45.223%0.23323%0.234CC..SBendtrans-146.2149.9-173.553.30000109E16 G245 F290 K295E16-T292 WeakPolarHBondContact OE1-CA 3.46Å; E16-T292 WeakPolarHBondContact OE1-CB 3.47Å; G245-T292 WeakPolarHBondContact O-CA 3.5Å; F290-T292 PolarHBondContact O-N 3.13Å; F290-T292 VanDerWaalsContact O-N 3.15Å; T292-K295 PolarHBondContact O-N 3.24Å; T292-K295 WeakPolarHBondContact OG1-CD 3.48Å; T292-K295 WeakPolarHBondContact OG1-CG 3.27Å
293F87.8Confident84Confident0 Ų048.6 Ų48.60%025%0.248CC..Hα-helixtrans-66.7-40.3-179.6-177.4-124000112.6D9 A12 V13 E16 F243 F274 P276 K295 A296 V297D9-F293 HydrophobicContact CB-CE1 3.98Å; D9-F293 HydrophobicContact CB-CZ 4Å; A12-F293 HydrophobicContact CB-CD1 3.86Å; A12-F293 HydrophobicContact CB-CE1 4.25Å; V13-F293 HydrophobicContact CG2-CD1 3.52Å; V13-F293 HydrophobicContact CG2-CE1 3.65Å; E16-F293 PolarHBondContact OE1-N 3.39Å; E16-F293 WeakPolarHBondContact OE2-CB 3.47Å; E16-F293 PolarHBondContact OE2-N 2.97Å; F243-F293 HydrophobicContact CE1-CB 3.83Å; F243-F293 HydrophobicContact CZ-CB 4.35Å; F274-F293 AromaticContact CD2-CE2 3.9Å; F274-F293 HydrophobicContact CD2-CE2 3.9Å; F274-F293 AromaticContact CD2-CZ 3.75Å; F274-F293 HydrophobicContact CD2-CZ 3.75Å; F274-F293 HydrophobicContact CE2-CZ 4.09Å; P276-F293 HydrophobicContact CB-CD1 4.49Å; P276-F293 HydrophobicContact CB-CD2 4.25Å; P276-F293 HydrophobicContact CB-CE2 4.45Å; P276-F293 HydrophobicContact CB-CG 4.28Å; P276-F293 HydrophobicContact CG-CD1 4.07Å; P276-F293 HydrophobicContact CG-CD2 4.14Å; P276-F293 HydrophobicContact CG-CE1 3.81Å; P276-F293 HydrophobicContact CG-CE2 3.88Å; P276-F293 HydrophobicContact CG-CG 4.24Å; P276-F293 HydrophobicContact CG-CZ 3.7Å; F293-K295 VanDerWaalsContact C-N 3.3Å; F293-K295 PolarHBondContact O-N 3.32Å; F293-A296 WeakPolarHBondContact O-CB 3.48Å; F293-A296 PolarHBondContact O-N 2.92Å; F293-V297 HydrophobicContact CD1-CG2 4.23Å; F293-V297 HydrophobicContact CD2-CG2 4.11Å; F293-V297 HydrophobicContact CE1-CG2 3.89Å; F293-V297 HydrophobicContact CE2-CG2 3.75Å; F293-V297 HydrophobicContact CG-CG2 4.33Å; F293-V297 HydrophobicContact CZ-CG2 3.64Å; F293-V297 WeakPolarHBondContact O-CG2 3.29Å; F293-V297 PolarHBondContact O-N 3.09Å
294D86.4Confident84.6Confident14 Ų1447.1 Ų47.18%0.07524%0.236CC..Hα-helixtrans-47.8-47.6174.9-148.525.7000112.4E16 H59 S60 V297 D298E16-D294 WeakPolarHBondContact OE2-CB 3.46Å; E16-D294 PolarHBondContact OE2-N 3.08Å; H59-D294 WeakPolarHBondContact CA-OD1 3.33Å; H59-D294 VanDerWaalsContact CB-OD1 3.23Å; H59-D294 WeakPolarHBondContact CB-OD1 3.48Å; S60-D294 WeakPolarHBondContact CB-OD2 3.49Å; S60-D294 PolarHBondContact N-OD1 3.18Å; S60-D294 PolarHBondContact N-OD2 2.96Å; D294-V297 PolarHBondContact O-N 3.09Å; D294-D298 WeakPolarHBondContact O-CB 3.27Å; D294-D298 PolarHBondContact O-N 3.36Å
295K85.8Confident85.1Confident82 Ų8240.5 Ų40.536%0.35720%0.2SC..Hα-helixtrans-65.1-39.5177.5-70.9172.6-166.7159.30113.6F290 E291 T292 F293 V297 D298 E299F290-K295 HydrophobicContact CB-CB 4.42Å; F290-K295 HydrophobicContact CD1-CB 4.42Å; E291-K295 IonicContact OE2-NZ 2.71Å; E291-K295 PolarHBondContact OE2-NZ 2.99Å; T292-K295 PolarHBondContact O-N 3.24Å; T292-K295 WeakPolarHBondContact OG1-CD 3.48Å; T292-K295 WeakPolarHBondContact OG1-CG 3.27Å; F293-K295 VanDerWaalsContact C-N 3.3Å; F293-K295 PolarHBondContact O-N 3.32Å; K295-V297 VanDerWaalsContact C-N 3.35Å; K295-D298 PolarHBondContact O-N 3.26Å; K295-E299 WeakPolarHBondContact O-CB 3.21Å; K295-E299 PolarHBondContact O-N 3.43Å
296A88.1Confident85.3Confident0 Ų040 Ų400%020%0.196CC..Hα-helixtrans-65.5-42177.900000110.9I249 F290 F293 F300I249-A296 VanDerWaalsContact CD1-O 3.28Å; I249-A296 WeakPolarHBondContact CD1-O 3.45Å; I249-A296 HydrophobicContact CG1-CB 4.02Å; F290-A296 HydrophobicContact CB-CB 4.03Å; F290-A296 HydrophobicContact CD2-CB 3.63Å; F290-A296 HydrophobicContact CE2-CB 4.34Å; F290-A296 HydrophobicContact CG-CB 3.89Å; F293-A296 WeakPolarHBondContact O-CB 3.48Å; F293-A296 PolarHBondContact O-N 2.92Å; A296-F300 VanDerWaalsContact O-CB 3.29Å; A296-F300 WeakPolarHBondContact O-CB 3.49Å; A296-F300 PolarHBondContact O-N 2.6Å
297V88.2Confident85.4Confident0 Ų043.7 Ų43.70%021%0.21CC..Hα-helixtrans-63.9-47.5175.6175.30000110.9F5 H59 F274 F293 D294 K295 F300 F301F5-V297 HydrophobicContact CE1-CG1 3.87Å; F5-V297 HydrophobicContact CZ-CG1 3.78Å; H59-V297 HydrophobicContact CB-CG1 4.21Å; H59-V297 WeakPolarHBondContact ND1-CG1 3.41Å; F274-V297 HydrophobicContact CD2-CG2 3.86Å; F274-V297 HydrophobicContact CE2-CG2 4.16Å; F293-V297 HydrophobicContact CD1-CG2 4.23Å; F293-V297 HydrophobicContact CD2-CG2 4.11Å; F293-V297 HydrophobicContact CE1-CG2 3.89Å; F293-V297 HydrophobicContact CE2-CG2 3.75Å; F293-V297 HydrophobicContact CG-CG2 4.33Å; F293-V297 HydrophobicContact CZ-CG2 3.64Å; F293-V297 WeakPolarHBondContact O-CG2 3.29Å; F293-V297 PolarHBondContact O-N 3.09Å; D294-V297 PolarHBondContact O-N 3.09Å; K295-V297 VanDerWaalsContact C-N 3.35Å; V297-F300 PolarHBondContact O-N 3.01Å; V297-F301 HydrophobicContact CG1-CD2 3.66Å; V297-F301 HydrophobicContact CG1-CE2 3.91Å; V297-F301 WeakPolarHBondContact O-CD2 3.23Å; V297-F301 PolarHBondContact O-N 3.19Å
298D88.7Confident85.4Confident6 Ų645.1 Ų45.13%0.03222%0.216CC..Hα-helixtrans-62.9-42.8-178.1-170.130.5000112.3T61 D62 F63 D294 K295 S302T61-D298 WeakPolarHBondContact CA-OD2 3.42Å; T61-D298 VanDerWaalsContact CB-OD1 3.27Å; T61-D298 WeakPolarHBondContact CB-OD1 3.21Å; T61-D298 PolarHBondContact OG1-OD1 2.86Å; T61-D298 PolarHBondContact OG1-OD2 2.9Å; D62-D298 PolarHBondContact N-OD2 3.21Å; F63-D298 VanDerWaalsContact CD2-OD2 3.24Å; F63-D298 WeakPolarHBondContact CD2-OD2 3.48Å; D294-D298 WeakPolarHBondContact O-CB 3.27Å; D294-D298 PolarHBondContact O-N 3.36Å; K295-D298 PolarHBondContact O-N 3.26Å; D298-S302 WeakPolarHBondContact O-CB 3.41Å; D298-S302 PolarHBondContact O-N 3.26Å; D298-S302 PolarHBondContact O-OG 3.32Å
299E86.3Confident85.3Confident40 Ų4043.6 Ų43.619%0.18721%0.208CC..Hα-helixtrans-63.8-43.8173.8-17770.6-160.200112.1F63 I249 Y271 F290 K295 K303F63-E299 WeakPolarHBondContact CZ-OE2 3.43Å; I249-E299 HydrophobicContact CD1-CB 4.3Å; I249-E299 HydrophobicContact CD1-CG 4.31Å; Y271-E299 HydrophobicContact CE2-CG 4.44Å; F290-E299 HydrophobicContact CE1-CB 4.09Å; F290-E299 HydrophobicContact CE1-CG 4.01Å; F290-E299 HydrophobicContact CZ-CB 4.23Å; F290-E299 HydrophobicContact CZ-CG 3.92Å; K295-E299 WeakPolarHBondContact O-CB 3.21Å; K295-E299 PolarHBondContact O-N 3.43Å; E299-K303 PolarHBondContact O-N 3.13Å; E299-K303 WeakPolarHBondContact OE1-CE 3.36Å; E299-K303 IonicContact OE1-NZ 2.98Å; E299-K303 PolarHBondContact OE1-NZ 3.01Å
300F88.4Confident84.9Confident2 Ų242.7 Ų42.71%0.00921%0.205CC..Hα-helixtrans-60.7-53.4178.1177.7-91.5000111.8K2 I249 Y271 F274 A296 V297 M304K2-F300 VanDerWaalsContact O-CE1 3.31Å; K2-F300 WeakPolarHBondContact O-CE1 2.9Å; K2-F300 WeakPolarHBondContact O-CZ 3.33Å; I249-F300 HydrophobicContact CD1-CB 4.11Å; I249-F300 HydrophobicContact CG2-CD2 3.98Å; Y271-F300 AromaticContact CD2-CD2 3.97Å; Y271-F300 HydrophobicContact CD2-CD2 3.97Å; Y271-F300 HydrophobicContact CG-CD2 4.28Å; F274-F300 AromaticContact CD1-CD1 3.62Å; F274-F300 HydrophobicContact CD1-CD1 3.62Å; F274-F300 HydrophobicContact CD1-CD2 4.31Å; F274-F300 AromaticContact CD1-CE1 3.5Å; F274-F300 HydrophobicContact CD1-CE1 3.5Å; F274-F300 HydrophobicContact CD1-CE2 4.21Å; F274-F300 HydrophobicContact CD1-CG 4.04Å; F274-F300 AromaticContact CD1-CZ 3.82Å; F274-F300 HydrophobicContact CD1-CZ 3.82Å; F274-F300 HydrophobicContact CE1-CD1 4.03Å; F274-F300 AromaticContact CE1-CE1 3.72Å; F274-F300 HydrophobicContact CE1-CE1 3.72Å; F274-F300 HydrophobicContact CE1-CZ 4.3Å; F274-F300 HydrophobicContact CG-CD1 4.5Å; A296-F300 VanDerWaalsContact O-CB 3.29Å; A296-F300 WeakPolarHBondContact O-CB 3.49Å; A296-F300 PolarHBondContact O-N 2.6Å; V297-F300 PolarHBondContact O-N 3.01Å; F300-M304 HydrophobicContact CD1-CE 4.28Å; F300-M304 HydrophobicContact CE1-CE 3.4Å; F300-M304 HydrophobicContact CZ-CE 3.57Å; F300-M304 PolarHBondContact O-N 3.23Å; F300-M304 VanDerWaalsContact O-N 3.16Å
301F86.1Confident84.8Confident7 Ų747.1 Ų47.13%0.03123%0.229CC..Hα-helixtrans-73.8-28.2-177.7-79.6-76.9000113.3F5 T56 R57 F274 V297 M304 E305F5-F301 HydrophobicContact CE1-CE2 4.04Å; T56-F301 HydrophobicContact CG2-CE1 4.43Å; R57-F301 HydrophobicContact CB-CE2 4.48Å; R57-F301 HydrophobicContact CB-CZ 4.44Å; R57-F301 VanDerWaalsContact CD-CD1 3.48Å; F274-F301 HydrophobicContact CD1-CE2 4.35Å; F274-F301 AromaticContact CE1-CE2 3.64Å; F274-F301 HydrophobicContact CE1-CE2 3.64Å; F274-F301 AromaticContact CE1-CZ 3.79Å; F274-F301 HydrophobicContact CE1-CZ 3.79Å; F274-F301 HydrophobicContact CE2-CE2 4.5Å; F274-F301 AromaticContact CZ-CE2 3.74Å; F274-F301 HydrophobicContact CZ-CE2 3.74Å; F274-F301 HydrophobicContact CZ-CZ 4.01Å; V297-F301 HydrophobicContact CG1-CD2 3.66Å; V297-F301 HydrophobicContact CG1-CE2 3.91Å; V297-F301 WeakPolarHBondContact O-CD2 3.23Å; V297-F301 PolarHBondContact O-N 3.19Å; F301-M304 PolarHBondContact O-N 3.06Å; F301-E305 PolarHBondContact O-N 2.85Å
302S85.3Confident84.7Confident5 Ų543.9 Ų43.94%0.03521%0.212CC..Hα-helixtrans-68.2-41.2175.5-68.10000112.1F63 D298 S306F63-S302 VanDerWaalsContact CD2-OG 3.28Å; F63-S302 WeakPolarHBondContact CD2-OG 3.43Å; F63-S302 WeakPolarHBondContact CG-OG 3.21Å; D298-S302 WeakPolarHBondContact O-CB 3.41Å; D298-S302 PolarHBondContact O-N 3.26Å; D298-S302 PolarHBondContact O-OG 3.32Å; S302-S306 WeakPolarHBondContact O-CB 3.19Å; S302-S306 PolarHBondContact O-N 2.75Å
303K83.9Confident84.5Confident91 Ų9142.6 Ų42.640%0.39621%0.206SC..Hα-helixtrans-65.5-40.6172-82.8166.9171.1158.70112.2Y271 E299 S306 Q307Y271-K303 HydrophobicContact CD2-CD 4.19Å; Y271-K303 HydrophobicContact CE2-CB 4.45Å; Y271-K303 HydrophobicContact CE2-CD 3.42Å; Y271-K303 VanDerWaalsContact CE2-CD 3.42Å; Y271-K303 PolarHBondContact OH-NZ 2.82Å; E299-K303 PolarHBondContact O-N 3.13Å; E299-K303 WeakPolarHBondContact OE1-CE 3.36Å; E299-K303 IonicContact OE1-NZ 2.98Å; E299-K303 PolarHBondContact OE1-NZ 3.01Å; K303-S306 PolarHBondContact O-N 3.01Å; K303-Q307 WeakPolarHBondContact O-CG 3.24Å; K303-Q307 PolarHBondContact O-N 3.34Å
304M83.9Confident84.3Confident51 Ų5146.7 Ų46.725%0.25123%0.227SC..Hα-helixtrans-64-44.4177.1-168.7-176.6-66.900112.4F300 F301 K308F300-M304 HydrophobicContact CD1-CE 4.28Å; F300-M304 HydrophobicContact CE1-CE 3.4Å; F300-M304 HydrophobicContact CZ-CE 3.57Å; F300-M304 PolarHBondContact O-N 3.23Å; F300-M304 VanDerWaalsContact O-N 3.16Å; F301-M304 PolarHBondContact O-N 3.06Å; M304-K308 WeakPolarHBondContact O-CB 3.39Å; M304-K308 PolarHBondContact O-N 3.16Å; M304-K308 VanDerWaalsContact O-N 3.15Å
305E82.6Confident84.2Confident27 Ų2751.6 Ų51.613%0.12625%0.25CC..Hα-helixtrans-73.7-31.1177.5-162.266.9-155.900112.4W65 F301 Q307 K308 I309 K312 I511W65-E305 HydrophobicContact CH2-CB 3.92Å; W65-E305 HydrophobicContact CH2-CG 4.48Å; W65-E305 HydrophobicContact CZ3-CB 3.87Å; W65-E305 HydrophobicContact CZ3-CG 3.92Å; F301-E305 PolarHBondContact O-N 2.85Å; E305-Q307 PolarHBondContact O-N 3.13Å; E305-K308 CarbonylContact O-C 3.46Å; E305-K308 PolarHBondContact O-N 3.33Å; E305-K308 VanDerWaalsContact O-N 3.15Å; E305-K308 WeakPolarHBondContact OE1-CG 3.46Å; E305-K308 IonicContact OE1-NZ 3.5Å; E305-K308 PolarHBondContact OE1-NZ 3.26Å; E305-K308 WeakPolarHBondContact OE2-CD 3.19Å; E305-K308 IonicContact OE2-NZ 2.75Å; E305-K308 PolarHBondContact OE2-NZ 3.27Å; E305-I309 HydrophobicContact CG-CD1 3.95Å; E305-I309 HydrophobicContact CG-CG1 4.13Å; E305-I309 WeakPolarHBondContact O-CB 3.49Å; E305-I309 WeakPolarHBondContact O-CG1 3.5Å; E305-I309 PolarHBondContact O-N 2.7Å; E305-K312 IonicContact OE1-NZ 3.56Å; E305-K312 PolarHBondContact OE1-NZ 3.31Å; E305-I511 HydrophobicContact CB-CD1 3.97Å; E305-I511 HydrophobicContact CG-CD1 4.24Å
306S80.7Confident84.2Confident32 Ų3252.8 Ų52.822%0.22426%0.256CS..Hα-helixtrans-56.3-52.2172.5-167.30000110.5S302 K303 K308 I309 D310S302-S306 WeakPolarHBondContact O-CB 3.19Å; S302-S306 PolarHBondContact O-N 2.75Å; K303-S306 PolarHBondContact O-N 3.01Å; S306-K308 VanDerWaalsContact C-N 3.27Å; S306-K308 PolarHBondContact O-N 3.09Å; S306-I309 PolarHBondContact O-N 3.02Å; S306-D310 PolarHBondContact O-N 2.89Å; S306-D310 VanDerWaalsContact O-OD2 3.06Å
307Q82.4Confident84Confident119 Ų11956.3 Ų56.356%0.55627%0.273SS*.Hα-helixtrans-56.6-41.4175.7-67.7176.44.800112.2K303 E305 I309 D310 M311K303-Q307 WeakPolarHBondContact O-CG 3.24Å; K303-Q307 PolarHBondContact O-N 3.34Å; E305-Q307 PolarHBondContact O-N 3.13Å; Q307-I309 PolarHBondContact O-N 3.38Å; Q307-D310 PolarHBondContact O-N 3.47Å; Q307-M311 WeakPolarHBondContact O-CB 3.43Å; Q307-M311 VanDerWaalsContact O-CG 3.3Å; Q307-M311 WeakPolarHBondContact O-CG 3.21Å; Q307-M311 PolarHBondContact O-N 3.08Å
308K83.8Confident84Confident90 Ų9062.7 Ų62.739%0.39130%0.301SS..Hα-helixtrans-68.3-30.5178.3-177.6158.5156.4-95.70112.8M304 E305 S306 K312M304-K308 WeakPolarHBondContact O-CB 3.39Å; M304-K308 PolarHBondContact O-N 3.16Å; M304-K308 VanDerWaalsContact O-N 3.15Å; E305-K308 CarbonylContact O-C 3.46Å; E305-K308 PolarHBondContact O-N 3.33Å; E305-K308 VanDerWaalsContact O-N 3.15Å; E305-K308 WeakPolarHBondContact OE1-CG 3.46Å; E305-K308 IonicContact OE1-NZ 3.5Å; E305-K308 PolarHBondContact OE1-NZ 3.26Å; E305-K308 WeakPolarHBondContact OE2-CD 3.19Å; E305-K308 IonicContact OE2-NZ 2.75Å; E305-K308 PolarHBondContact OE2-NZ 3.27Å; S306-K308 VanDerWaalsContact C-N 3.27Å; S306-K308 PolarHBondContact O-N 3.09Å; K308-K312 VanDerWaalsContact O-CD 3.29Å; K308-K312 WeakPolarHBondContact O-CD 3.13Å; K308-K312 WeakPolarHBondContact O-CG 3.24Å; K308-K312 PolarHBondContact O-N 3.48Å
309I80.2Confident84Confident24 Ų2467 Ų6712%0.12332%0.32CS..Hα-helixtrans-75.2-45.3172.5-72.3168.1000110.7E305 S306 Q307 M311 K312 A313 T509 I511E305-I309 HydrophobicContact CG-CD1 3.95Å; E305-I309 HydrophobicContact CG-CG1 4.13Å; E305-I309 WeakPolarHBondContact O-CB 3.49Å; E305-I309 WeakPolarHBondContact O-CG1 3.5Å; E305-I309 PolarHBondContact O-N 2.7Å; S306-I309 PolarHBondContact O-N 3.02Å; Q307-I309 PolarHBondContact O-N 3.38Å; I309-M311 VanDerWaalsContact C-N 3.31Å; I309-M311 PolarHBondContact O-N 3.01Å; I309-K312 WeakPolarHBondContact O-CB 3.49Å; I309-K312 PolarHBondContact O-N 3Å; I309-K312 VanDerWaalsContact O-N 3.12Å; I309-A313 WeakPolarHBondContact O-CB 3.47Å; I309-A313 PolarHBondContact O-N 3.49Å; I309-T509 HydrophobicContact CG2-CG2 4.12Å; I309-T509 WeakPolarHBondContact CG2-O 3.31Å; I309-I511 HydrophobicContact CD1-CD1 3.73Å; I309-I511 HydrophobicContact CD1-CG1 3.86Å
310D78.9Confident84Confident74 Ų7465.6 Ų65.640%0.39632%0.316SS..Hα-helixtrans-60.5-40.7176.4-66.9-42.8000111.3S306 Q307 A313 L314S306-D310 PolarHBondContact O-N 2.89Å; S306-D310 VanDerWaalsContact O-OD2 3.06Å; Q307-D310 PolarHBondContact O-N 3.47Å; D310-A313 PolarHBondContact O-N 3.33Å; D310-L314 VanDerWaalsContact O-CB 3.24Å; D310-L314 WeakPolarHBondContact O-CB 3.34Å; D310-L314 PolarHBondContact O-N 2.89Å
311M82.4Confident83.9Confident140 Ų14069.3 Ų69.369%0.6934%0.336SS*.Hα-helixtrans-62.9-43.1172-74.9-17675.300113Q307 I309 Q315Q307-M311 WeakPolarHBondContact O-CB 3.43Å; Q307-M311 VanDerWaalsContact O-CG 3.3Å; Q307-M311 WeakPolarHBondContact O-CG 3.21Å; Q307-M311 PolarHBondContact O-N 3.08Å; I309-M311 VanDerWaalsContact C-N 3.31Å; I309-M311 PolarHBondContact O-N 3.01Å; M311-Q315 WeakPolarHBondContact O-CB 3.3Å; M311-Q315 PolarHBondContact O-N 3.22Å
312K83.6Confident84.2Confident79 Ų7975.2 Ų75.234%0.34336%0.361SS..Hα-helixtrans-61.3-43.8174.8-73.7160.7-177.2168.80110.9E305 K308 I309 Q315 Q316E305-K312 IonicContact OE1-NZ 3.56Å; E305-K312 PolarHBondContact OE1-NZ 3.31Å; K308-K312 VanDerWaalsContact O-CD 3.29Å; K308-K312 WeakPolarHBondContact O-CD 3.13Å; K308-K312 WeakPolarHBondContact O-CG 3.24Å; K308-K312 PolarHBondContact O-N 3.48Å; I309-K312 WeakPolarHBondContact O-CB 3.49Å; I309-K312 PolarHBondContact O-N 3Å; I309-K312 VanDerWaalsContact O-N 3.12Å; K312-Q315 WeakPolarHBondContact O-CB 3.41Å; K312-Q315 PolarHBondContact O-N 3.37Å; K312-Q316 WeakPolarHBondContact O-CG 3.36Å; K312-Q316 PolarHBondContact O-N 2.8Å
313A80.4Confident84.4Confident12 Ų1281.3 Ų81.310%0.09939%0.387CS..Hα-helixtrans-64.7-48.6179.300000112.3I309 D310 Q315 Q316 E317 V505 T509I309-A313 WeakPolarHBondContact O-CB 3.47Å; I309-A313 PolarHBondContact O-N 3.49Å; D310-A313 PolarHBondContact O-N 3.33Å; A313-Q315 PolarHBondContact O-N 3.22Å; A313-Q316 WeakPolarHBondContact O-CA 3.48Å; A313-Q316 WeakPolarHBondContact O-CB 3.45Å; A313-Q316 PolarHBondContact O-N 3.14Å; A313-E317 PolarHBondContact O-N 2.91Å; A313-V505 HydrophobicContact CB-CG1 3.48Å; A313-V505 VanDerWaalsContact CB-CG1 3.48Å; A313-T509 HydrophobicContact CB-CG2 3.28Å
314L83.4Confident84.5Confident85 Ų8578.2 Ų78.245%0.44538%0.375SS..Hα-helixtrans-62.7-30.8175.9-176.8148.7000112D310 K318D310-L314 VanDerWaalsContact O-CB 3.24Å; D310-L314 WeakPolarHBondContact O-CB 3.34Å; D310-L314 PolarHBondContact O-N 2.89Å; L314-K318 HydrophobicContact CD2-CD 3.91Å; L314-K318 VanDerWaalsContact CD2-CE 3.49Å; L314-K318 WeakPolarHBondContact O-CB 3.1Å; L314-K318 VanDerWaalsContact O-CG 3.29Å; L314-K318 WeakPolarHBondContact O-CG 3.4Å; L314-K318 PolarHBondContact O-N 2.82Å
315Q85.8Confident84.8Confident118 Ų11881.8 Ų81.855%0.55139%0.391SS*.Hα-helixtrans-69.6-41.2170.3-166.7-17626.100112.2M311 K312 A313 K318 Q319M311-Q315 WeakPolarHBondContact O-CB 3.3Å; M311-Q315 PolarHBondContact O-N 3.22Å; K312-Q315 WeakPolarHBondContact O-CB 3.41Å; K312-Q315 PolarHBondContact O-N 3.37Å; A313-Q315 PolarHBondContact O-N 3.22Å; Q315-K318 PolarHBondContact O-N 2.8Å; Q315-Q319 WeakPolarHBondContact O-CG 3.35Å; Q315-Q319 PolarHBondContact O-N 3.4Å
316Q84.5Confident85.2Confident106 Ų10685 Ų8550%0.49541%0.408SS..Hα-helixtrans-66.5-40.9176.4-71.5177.118.600112K312 A313 Q319 A320 V505K312-Q316 WeakPolarHBondContact O-CG 3.36Å; K312-Q316 PolarHBondContact O-N 2.8Å; A313-Q316 WeakPolarHBondContact O-CA 3.48Å; A313-Q316 WeakPolarHBondContact O-CB 3.45Å; A313-Q316 PolarHBondContact O-N 3.14Å; Q316-Q319 PolarHBondContact O-N 2.75Å; Q316-A320 WeakPolarHBondContact O-CB 3.46Å; Q316-A320 PolarHBondContact O-N 2.9Å; Q316-V505 HydrophobicContact CB-CG2 4.23Å
317E83.6Confident85.6Confident74 Ų7485.8 Ų85.835%0.34641%0.412SS..Hα-helixtrans-56.9-53170.6165.6163.2-127.700111.4A313 Q319 A320 L321 L502A313-E317 PolarHBondContact O-N 2.91Å; E317-Q319 VanDerWaalsContact C-N 3.25Å; E317-Q319 PolarHBondContact O-N 3.18Å; E317-A320 PolarHBondContact O-N 2.88Å; E317-L321 HydrophobicContact CG-CD1 3.86Å; E317-L321 HydrophobicContact CG-CG 4.41Å; E317-L321 WeakPolarHBondContact O-CG 3.47Å; E317-L321 PolarHBondContact O-N 2.81Å; E317-L502 HydrophobicContact CB-CD2 3.82Å; E317-L502 HydrophobicContact CG-CD2 3.61Å
318K88.9Confident85.9Confident135 Ų13584.4 Ų84.459%0.58740%0.404SS*.Hα-helixtrans-56.7-38176.1-76.6175.6178.8178.20112.4L314 Q315 K322L314-K318 HydrophobicContact CD2-CD 3.91Å; L314-K318 VanDerWaalsContact CD2-CE 3.49Å; L314-K318 WeakPolarHBondContact O-CB 3.1Å; L314-K318 VanDerWaalsContact O-CG 3.29Å; L314-K318 WeakPolarHBondContact O-CG 3.4Å; L314-K318 PolarHBondContact O-N 2.82Å; Q315-K318 PolarHBondContact O-N 2.8Å; K318-K322 VanDerWaalsContact O-CB 3.25Å; K318-K322 WeakPolarHBondContact O-CB 3.49Å; K318-K322 PolarHBondContact O-N 2.79Å
319Q88.5Confident86.2Confident95 Ų9585.6 Ų85.644%0.44441%0.409SS..Hα-helixtrans-69.4-36.4174.3-72.3-178.92500113.2Q315 Q316 E317 K323Q315-Q319 WeakPolarHBondContact O-CG 3.35Å; Q315-Q319 PolarHBondContact O-N 3.4Å; Q316-Q319 PolarHBondContact O-N 2.75Å; E317-Q319 VanDerWaalsContact C-N 3.25Å; E317-Q319 PolarHBondContact O-N 3.18Å; Q319-K323 WeakPolarHBondContact O-CD 3.29Å; Q319-K323 WeakPolarHBondContact O-CG 3.42Å; Q319-K323 PolarHBondContact O-N 2.85Å; Q319-K323 VanDerWaalsContact O-N 3.09Å
320A85.8Confident86.7Confident12 Ų1287.3 Ų87.310%0.09942%0.419CS..Hα-helixtrans-70.5-4017800000111.9Q316 E317 K323 L324 T498Q316-A320 WeakPolarHBondContact O-CB 3.46Å; Q316-A320 PolarHBondContact O-N 2.9Å; E317-A320 PolarHBondContact O-N 2.88Å; A320-K323 PolarHBondContact O-N 2.8Å; A320-L324 PolarHBondContact O-N 2.92Å; A320-T498 HydrophobicContact CB-CG2 4.2Å
321L88.1Confident87.1Confident80 Ų8085.2 Ų85.242%0.41941%0.407SS..Hα-helixtrans-65.7-46.9173.2-66.7172.9000111.5E317 K323 L324 E325 T498E317-L321 HydrophobicContact CG-CD1 3.86Å; E317-L321 HydrophobicContact CG-CG 4.41Å; E317-L321 WeakPolarHBondContact O-CG 3.47Å; E317-L321 PolarHBondContact O-N 2.81Å; L321-K323 VanDerWaalsContact C-N 3.28Å; L321-K323 PolarHBondContact O-N 2.94Å; L321-L324 WeakPolarHBondContact O-CA 3.37Å; L321-L324 WeakPolarHBondContact O-CB 3.5Å; L321-L324 PolarHBondContact O-N 3.34Å; L321-E325 PolarHBondContact O-N 3Å; L321-T498 HydrophobicContact CD2-CG2 4.4Å
322K91.7Very high87.4Confident131 Ų13184 Ų8457%0.5740%0.399SS*.Hα-helixtrans-62.2-32.1177.3-171168.5-174.2171.60113.2K318 N326K318-K322 VanDerWaalsContact O-CB 3.25Å; K318-K322 WeakPolarHBondContact O-CB 3.49Å; K318-K322 PolarHBondContact O-N 2.79Å; K322-N326 WeakPolarHBondContact O-CB 3.45Å; K322-N326 PolarHBondContact O-N 3.48Å; K322-N326 PolarHBondContact O-OD1 3.22Å
323K88.5Confident87.7Confident133 Ų13385.2 Ų85.258%0.57841%0.406SS*.Hα-helixtrans-65.1-39.2171.3-75.6163.5-172.7166.80111.9Q319 A320 L321 V327Q319-K323 WeakPolarHBondContact O-CD 3.29Å; Q319-K323 WeakPolarHBondContact O-CG 3.42Å; Q319-K323 PolarHBondContact O-N 2.85Å; Q319-K323 VanDerWaalsContact O-N 3.09Å; A320-K323 PolarHBondContact O-N 2.8Å; L321-K323 VanDerWaalsContact C-N 3.28Å; L321-K323 PolarHBondContact O-N 2.94Å; K323-V327 WeakPolarHBondContact O-CG2 3.44Å; K323-V327 PolarHBondContact O-N 3.27Å
324L87.1Confident88.1Confident25 Ų2590.5 Ų90.513%0.13142%0.424CS..Hα-helixtrans-69-43.5176.7-176.965.5000111.9A320 L321 V327 K328 M491 A494 E495A320-L324 PolarHBondContact O-N 2.92Å; L321-L324 WeakPolarHBondContact O-CA 3.37Å; L321-L324 WeakPolarHBondContact O-CB 3.5Å; L321-L324 PolarHBondContact O-N 3.34Å; L324-V327 PolarHBondContact O-N 2.76Å; L324-K328 PolarHBondContact O-N 3.28Å; L324-M491 HydrophobicContact CD1-CE 3.54Å; L324-M491 HydrophobicContact CG-CE 4.3Å; L324-A494 HydrophobicContact CD1-CB 3.73Å; L324-E495 HydrophobicContact CD1-CG 3.84Å; L324-E495 HydrophobicContact CD2-CG 4.03Å
325E90.6Very high88.3Confident127 Ų12788.4 Ų88.459%0.59341%0.413SS*.Hα-helixtrans-59.8-47.8175.6-172.3-170172.300111.8L321 V327 K328 K329L321-E325 PolarHBondContact O-N 3Å; E325-V327 PolarHBondContact O-N 2.62Å; E325-K328 WeakPolarHBondContact O-CB 3.32Å; E325-K328 PolarHBondContact O-N 2.86Å; E325-K328 VanDerWaalsContact O-N 3.14Å; E325-K329 PolarHBondContact O-N 2.87Å
326N91.3Very high88.5Confident93 Ų9388.3 Ų88.350%0.49741%0.412SS..Hα-helixtrans-57-38175.2-75-7000112.3K322 D330K322-N326 WeakPolarHBondContact O-CB 3.45Å; K322-N326 PolarHBondContact O-N 3.48Å; K322-N326 PolarHBondContact O-OD1 3.22Å; N326-D330 VanDerWaalsContact O-CB 3.3Å; N326-D330 WeakPolarHBondContact O-CB 2.84Å; N326-D330 PolarHBondContact O-N 2.67Å
327V88.4Confident88.8Confident50 Ų5086 Ų8630%0.30341%0.411SS..Hα-helixtrans-71.4-37.4177.7170.70000111.9K323 L324 E325 H331 M491K323-V327 WeakPolarHBondContact O-CG2 3.44Å; K323-V327 PolarHBondContact O-N 3.27Å; L324-V327 PolarHBondContact O-N 2.76Å; E325-V327 PolarHBondContact O-N 2.62Å; V327-H331 PolarHBondContact O-N 3.24Å; V327-H331 PolarHBondContact O-ND1 3.09Å; V327-M491 HydrophobicContact CG1-SD 4.02Å
328K88.8Confident89.2Confident90 Ų9084.2 Ų84.239%0.39140%0.404SS..Hα-helixtrans-59-54.5172.1-73-174.6174.6-171.70110.6L324 E325 D330 H331 E332 M491L324-K328 PolarHBondContact O-N 3.28Å; E325-K328 WeakPolarHBondContact O-CB 3.32Å; E325-K328 PolarHBondContact O-N 2.86Å; E325-K328 VanDerWaalsContact O-N 3.14Å; K328-D330 VanDerWaalsContact C-N 3.34Å; K328-D330 PolarHBondContact O-N 3.43Å; K328-H331 PolarHBondContact O-N 3.4Å; K328-E332 WeakPolarHBondContact O-CG 3.35Å; K328-E332 PolarHBondContact O-N 2.84Å; K328-M491 HydrophobicContact CD-CE 4.04Å; K328-M491 HydrophobicContact CG-CE 3.44Å; K328-M491 VanDerWaalsContact CG-CE 3.44Å; K328-M491 HydrophobicContact CG-SD 3.65Å
329K90.5Very high89.2Confident114 Ų11480.9 Ų80.950%0.49639%0.39SS..Hα-helixtrans-58.7-40.8-178.4-172.4169.9-176.51710113.5E325 H331 E332 Q333E325-K329 PolarHBondContact O-N 2.87Å; K329-H331 VanDerWaalsContact C-N 3.3Å; K329-H331 PolarHBondContact O-N 3.43Å; K329-E332 PolarHBondContact O-N 3.37Å; K329-Q333 HydrophobicContact CG-CG 4.39Å; K329-Q333 WeakPolarHBondContact O-CB 3.48Å; K329-Q333 VanDerWaalsContact O-CG 3.28Å; K329-Q333 WeakPolarHBondContact O-CG 3.32Å; K329-Q333 PolarHBondContact O-N 3.41Å
330D89.2Confident89.2Confident61 Ų6182.1 Ų82.133%0.32640%0.396SS..Hα-helixtrans-63.7-31.2175.2173.154000113N326 K328 R334N326-D330 VanDerWaalsContact O-CB 3.3Å; N326-D330 WeakPolarHBondContact O-CB 2.84Å; N326-D330 PolarHBondContact O-N 2.67Å; K328-D330 VanDerWaalsContact C-N 3.34Å; K328-D330 PolarHBondContact O-N 3.43Å; D330-R334 VanDerWaalsContact CG-CZ 3.46Å; D330-R334 WeakPolarHBondContact O-CD 3.45Å; D330-R334 WeakPolarHBondContact O-CG 3.26Å; D330-R334 PolarHBondContact O-NE 3.08Å; D330-R334 IonicContact OD1-CZ 3.97Å; D330-R334 IonicContact OD1-NE 3.46Å; D330-R334 PolarHBondContact OD1-NE 3.3Å; D330-R334 IonicContact OD1-NH2 2.87Å; D330-R334 PolarHBondContact OD1-NH2 2.75Å; D330-R334 IonicContact OD2-CZ 2.66Å; D330-R334 IonicContact OD2-NE 2.85Å; D330-R334 IonicContact OD2-NH1 3.24Å; D330-R334 IonicContact OD2-NH2 3.53Å; D330-R334 PolarHBondContact OD2-NH2 2.83Å
331H87.8Confident89.4Confident30 Ų3083.5 Ų83.514%0.13941%0.408CS..Hα-helixtrans-80.8-40.8173.2-71.776.5000112.2V327 K328 K329 Q333 R334 L335 A487V327-H331 PolarHBondContact O-N 3.24Å; V327-H331 PolarHBondContact O-ND1 3.09Å; K328-H331 PolarHBondContact O-N 3.4Å; K329-H331 VanDerWaalsContact C-N 3.3Å; K329-H331 PolarHBondContact O-N 3.43Å; H331-Q333 PolarHBondContact O-N 3.5Å; H331-R334 PolarHBondContact O-N 3.45Å; H331-L335 WeakPolarHBondContact O-CG 3.27Å; H331-L335 PolarHBondContact O-N 2.8Å; H331-A487 HydrophobicContact CB-CB 4.23Å
332E88.4Confident89.5Confident113 Ų11381.1 Ų81.153%0.52839%0.394SS..Hα-helixtrans-56.6-49.6175.5-71.5157.4-168.400111K328 K329 R334 L335 E336K328-E332 WeakPolarHBondContact O-CG 3.35Å; K328-E332 PolarHBondContact O-N 2.84Å; K329-E332 PolarHBondContact O-N 3.37Å; E332-R334 VanDerWaalsContact C-N 3.27Å; E332-R334 PolarHBondContact O-N 3.21Å; E332-L335 PolarHBondContact O-N 3.23Å; E332-L335 VanDerWaalsContact O-N 3.13Å; E332-E336 WeakPolarHBondContact O-CB 3.49Å; E332-E336 PolarHBondContact O-N 2.98Å
333Q90.8Very high89.4Confident105 Ų10577.5 Ų77.549%0.49138%0.379SS..Hα-helixtrans-62.7-29.8177.9-71.6-178.6-42.900113.4K329 H331 A337K329-Q333 HydrophobicContact CG-CG 4.39Å; K329-Q333 WeakPolarHBondContact O-CB 3.48Å; K329-Q333 VanDerWaalsContact O-CG 3.28Å; K329-Q333 WeakPolarHBondContact O-CG 3.32Å; K329-Q333 PolarHBondContact O-N 3.41Å; H331-Q333 PolarHBondContact O-N 3.5Å; Q333-A337 VanDerWaalsContact O-CB 3.32Å; Q333-A337 WeakPolarHBondContact O-CB 3.46Å; Q333-A337 PolarHBondContact O-N 3.34Å; Q333-A337 VanDerWaalsContact O-N 3.09Å
334R87.8Confident89.4Confident123 Ų12373.3 Ų73.346%0.46437%0.365SS..Hα-helixtrans-76.2-33.6175-69.9167.6-165.2-171.92.3112.6D330 H331 E332 L338D330-R334 VanDerWaalsContact CG-CZ 3.46Å; D330-R334 WeakPolarHBondContact O-CD 3.45Å; D330-R334 WeakPolarHBondContact O-CG 3.26Å; D330-R334 PolarHBondContact O-NE 3.08Å; D330-R334 IonicContact OD1-CZ 3.97Å; D330-R334 IonicContact OD1-NE 3.46Å; D330-R334 PolarHBondContact OD1-NE 3.3Å; D330-R334 IonicContact OD1-NH2 2.87Å; D330-R334 PolarHBondContact OD1-NH2 2.75Å; D330-R334 IonicContact OD2-CZ 2.66Å; D330-R334 IonicContact OD2-NE 2.85Å; D330-R334 IonicContact OD2-NH1 3.24Å; D330-R334 IonicContact OD2-NH2 3.53Å; D330-R334 PolarHBondContact OD2-NH2 2.83Å; H331-R334 PolarHBondContact O-N 3.45Å; E332-R334 VanDerWaalsContact C-N 3.27Å; E332-R334 PolarHBondContact O-N 3.21Å; R334-L338 WeakPolarHBondContact O-CB 3.18Å; R334-L338 VanDerWaalsContact O-CG 3.27Å; R334-L338 WeakPolarHBondContact O-CG 3.07Å; R334-L338 PolarHBondContact O-N 3.3Å; R334-L338 VanDerWaalsContact O-N 3.1Å
335L88.6Confident89.6Confident41 Ų4173.6 Ų73.622%0.21537%0.366CS..Hα-helixtrans-70.8-45.7173.7-67.1173000110.5H331 E332 A337 L338 H339 E480 T483 I484H331-L335 WeakPolarHBondContact O-CG 3.27Å; H331-L335 PolarHBondContact O-N 2.8Å; E332-L335 PolarHBondContact O-N 3.23Å; E332-L335 VanDerWaalsContact O-N 3.13Å; L335-A337 VanDerWaalsContact C-N 3.32Å; L335-A337 PolarHBondContact O-N 3.45Å; L335-L338 PolarHBondContact O-N 3.5Å; L335-L338 VanDerWaalsContact O-N 3.1Å; L335-H339 WeakPolarHBondContact O-CB 3.45Å; L335-H339 PolarHBondContact O-N 3.15Å; L335-E480 HydrophobicContact CD2-CG 3.86Å; L335-T483 HydrophobicContact CD2-CG2 3.69Å; L335-T483 HydrophobicContact CG-CG2 4.26Å; L335-I484 HydrophobicContact CD1-CG1 4.03Å; L335-I484 HydrophobicContact CD2-CD1 4.49Å; L335-I484 HydrophobicContact CD2-CG1 3.65Å
336E90.3Very high89.6Confident117 Ų11773.1 Ų73.155%0.54736%0.359SS..Hα-helixtrans-55.5-45.4174.3-171.5174.8-154.200111.6E332 L338 H339 Q340E332-E336 WeakPolarHBondContact O-CB 3.49Å; E332-E336 PolarHBondContact O-N 2.98Å; E336-L338 PolarHBondContact O-N 3.06Å; E336-H339 PolarHBondContact O-N 2.91Å; E336-Q340 WeakPolarHBondContact O-CB 3.13Å; E336-Q340 PolarHBondContact O-N 2.83Å
337A90.8Very high89.5Confident56 Ų5669.5 Ų69.546%0.46334%0.342SS..Hα-helixtrans-67-33.6175.900000114.1Q333 L335 A341Q333-A337 VanDerWaalsContact O-CB 3.32Å; Q333-A337 WeakPolarHBondContact O-CB 3.46Å; Q333-A337 PolarHBondContact O-N 3.34Å; Q333-A337 VanDerWaalsContact O-N 3.09Å; L335-A337 VanDerWaalsContact C-N 3.32Å; L335-A337 PolarHBondContact O-N 3.45Å; A337-A341 WeakPolarHBondContact O-CB 3.45Å; A337-A341 PolarHBondContact O-N 2.83Å; A337-A341 VanDerWaalsContact O-N 3.11Å
338L90.6Very high89.5Confident37 Ų3769 Ų6919%0.19434%0.336CS..Hα-helixtrans-73.1-40.5175.6-77.2170.3000111.9R334 L335 E336 A341 Q342 K479 E480R334-L338 WeakPolarHBondContact O-CB 3.18Å; R334-L338 VanDerWaalsContact O-CG 3.27Å; R334-L338 WeakPolarHBondContact O-CG 3.07Å; R334-L338 PolarHBondContact O-N 3.3Å; R334-L338 VanDerWaalsContact O-N 3.1Å; L335-L338 PolarHBondContact O-N 3.5Å; L335-L338 VanDerWaalsContact O-N 3.1Å; E336-L338 PolarHBondContact O-N 3.06Å; L338-A341 PolarHBondContact O-N 3.09Å; L338-Q342 PolarHBondContact O-N 3.39Å; L338-K479 HydrophobicContact CD1-CB 4.27Å; L338-K479 HydrophobicContact CD2-CB 4.05Å; L338-K479 HydrophobicContact CD2-CD 4.33Å; L338-E480 HydrophobicContact CB-CB 4.3Å; L338-E480 HydrophobicContact CD1-CB 4.4Å
339H89.5Confident89.6Confident65 Ų6564.7 Ų64.730%0.30132%0.317SS..Hα-helixtrans-64.2-46.3174.7-174.5-77.6000111L335 E336 A341 Q342 E343L335-H339 WeakPolarHBondContact O-CB 3.45Å; L335-H339 PolarHBondContact O-N 3.15Å; E336-H339 PolarHBondContact O-N 2.91Å; H339-A341 VanDerWaalsContact C-N 3.3Å; H339-A341 PolarHBondContact O-N 3.29Å; H339-Q342 WeakPolarHBondContact O-CA 3.41Å; H339-Q342 WeakPolarHBondContact O-CB 3.28Å; H339-Q342 PolarHBondContact O-N 2.87Å; H339-E343 IonicContact CE1-OE1 2.9Å; H339-E343 PolarHBondContact CE1-OE1 3.08Å; H339-E343 IonicContact CE1-OE2 3.7Å; H339-E343 IonicContact ND1-OE1 3.96Å; H339-E343 IonicContact ND1-OE2 3.99Å; H339-E343 PolarHBondContact O-N 2.98Å
340Q88.9Confident89.5Confident121 Ų12162.3 Ų62.357%0.56531%0.308SS*.Hα-helixtrans-61.4-38.3175.9-169.7177.237.900112E336 E343 V344E336-Q340 WeakPolarHBondContact O-CB 3.13Å; E336-Q340 PolarHBondContact O-N 2.83Å; Q340-E343 PolarHBondContact O-N 2.73Å; Q340-V344 WeakPolarHBondContact O-CB 3.47Å; Q340-V344 VanDerWaalsContact O-CG2 3.31Å; Q340-V344 WeakPolarHBondContact O-CG2 3.42Å; Q340-V344 PolarHBondContact O-N 3.42Å
341A89.6Confident89.5Confident42 Ų4259.7 Ų59.735%0.34729%0.294SS..Hα-helixtrans-65.1-38.9172.200000112.3A337 L338 H339 V344 D345A337-A341 WeakPolarHBondContact O-CB 3.45Å; A337-A341 PolarHBondContact O-N 2.83Å; A337-A341 VanDerWaalsContact O-N 3.11Å; L338-A341 PolarHBondContact O-N 3.09Å; H339-A341 VanDerWaalsContact C-N 3.3Å; H339-A341 PolarHBondContact O-N 3.29Å; A341-V344 PolarHBondContact O-N 2.9Å; A341-D345 WeakPolarHBondContact O-CB 3.1Å; A341-D345 PolarHBondContact O-N 3Å
342Q91Very high89.6Confident30 Ų3058.3 Ų58.314%0.1429%0.287CS..Hα-helixtrans-62.7-42.6175.1-167.4-158.240.900111.8L338 H339 R346 K473 A476L338-Q342 PolarHBondContact O-N 3.39Å; H339-Q342 WeakPolarHBondContact O-CA 3.41Å; H339-Q342 WeakPolarHBondContact O-CB 3.28Å; H339-Q342 PolarHBondContact O-N 2.87Å; Q342-R346 WeakPolarHBondContact O-CB 3.35Å; Q342-R346 PolarHBondContact O-N 2.66Å; Q342-K473 HydrophobicContact CG-CD 4.5Å; Q342-K473 HydrophobicContact CG-CG 3.52Å; Q342-A476 HydrophobicContact CB-CB 4.21Å
343E88.1Confident89.5Confident55 Ų5556.2 Ų56.226%0.25728%0.278SS..Hα-helixtrans-65.9-42.6175.3-69.9-174.2139.300112H339 Q340 R346 A347 L446H339-E343 IonicContact CE1-OE1 2.9Å; H339-E343 PolarHBondContact CE1-OE1 3.08Å; H339-E343 IonicContact CE1-OE2 3.7Å; H339-E343 IonicContact ND1-OE1 3.96Å; H339-E343 IonicContact ND1-OE2 3.99Å; H339-E343 PolarHBondContact O-N 2.98Å; Q340-E343 PolarHBondContact O-N 2.73Å; E343-R346 WeakPolarHBondContact O-CB 3.42Å; E343-R346 PolarHBondContact O-N 3.2Å; E343-A347 WeakPolarHBondContact O-CB 3.46Å; E343-A347 PolarHBondContact O-N 3.47Å; E343-L446 HydrophobicContact CB-CD1 4.04Å
344V89.9Confident89.4Confident44 Ų4454.7 Ų54.727%0.26727%0.271SS..Hα-helixtrans-66.1-46.2178.3167.30000112.1Q340 A341 R346 A347 K348 L446 M452Q340-V344 WeakPolarHBondContact O-CB 3.47Å; Q340-V344 VanDerWaalsContact O-CG2 3.31Å; Q340-V344 WeakPolarHBondContact O-CG2 3.42Å; Q340-V344 PolarHBondContact O-N 3.42Å; A341-V344 PolarHBondContact O-N 2.9Å; V344-R346 VanDerWaalsContact C-N 3.29Å; V344-R346 PolarHBondContact O-N 3.33Å; V344-A347 PolarHBondContact O-N 3.44Å; V344-K348 HydrophobicContact CG1-CD 4.37Å; V344-K348 WeakPolarHBondContact O-CB 3.49Å; V344-K348 VanDerWaalsContact O-CG 3.3Å; V344-K348 WeakPolarHBondContact O-CG 3.21Å; V344-K348 PolarHBondContact O-N 2.95Å; V344-L446 HydrophobicContact CG2-CD1 4.04Å; V344-M452 HydrophobicContact CG1-CE 4.15Å
345D90.6Very high89.5Confident31 Ų3149.8 Ų49.817%0.16625%0.254CS..Hα-helixtrans-65.7-34.1175.8-81.5-28.4000111.4A341 G349 H472 K473A341-D345 WeakPolarHBondContact O-CB 3.1Å; A341-D345 PolarHBondContact O-N 3Å; D345-G349 PolarHBondContact O-N 3.45Å; D345-H472 HydrophobicContact CB-CB 4.46Å; D345-H472 WeakPolarHBondContact OD2-CB 3.39Å; D345-K473 HydrophobicContact CB-CB 4.34Å
346R90.2Very high89.5Confident118 Ų11850.6 Ų50.645%0.44526%0.259SS..Hα-helixtrans-61.6-54.8173.1179.7-170.9174.6167.21.5111.4Q342 E343 V344 K348 G349 E350 K473Q342-R346 WeakPolarHBondContact O-CB 3.35Å; Q342-R346 PolarHBondContact O-N 2.66Å; E343-R346 WeakPolarHBondContact O-CB 3.42Å; E343-R346 PolarHBondContact O-N 3.2Å; V344-R346 VanDerWaalsContact C-N 3.29Å; V344-R346 PolarHBondContact O-N 3.33Å; R346-K348 VanDerWaalsContact C-N 3.26Å; R346-K348 PolarHBondContact O-N 3.07Å; R346-G349 WeakPolarHBondContact O-CA 3.33Å; R346-G349 PolarHBondContact O-N 2.86Å; R346-E350 HydrophobicContact CG-CG 4.47Å; R346-E350 IonicContact CZ-OE1 3.72Å; R346-E350 IonicContact NE-OE1 3.58Å; R346-E350 PolarHBondContact NE-OE1 3.35Å; R346-E350 IonicContact NE-OE2 2.73Å; R346-E350 PolarHBondContact NE-OE2 3.22Å; R346-E350 IonicContact NH2-OE1 3.47Å; R346-E350 PolarHBondContact NH2-OE1 2.98Å; R346-E350 PolarHBondContact O-N 2.91Å; R346-K473 HydrophobicContact CB-CD 4.07Å; R346-K473 HydrophobicContact CB-CG 4.48Å; R346-K473 HydrophobicContact CG-CD 4.4Å
347A89.4Confident89.4Confident17 Ų1748.3 Ų48.314%0.1426%0.259CS..Hα-helixtrans-61.2-35.7-178.100000111.9E343 V344 E350 L351 M452E343-A347 WeakPolarHBondContact O-CB 3.46Å; E343-A347 PolarHBondContact O-N 3.47Å; V344-A347 PolarHBondContact O-N 3.44Å; A347-E350 PolarHBondContact O-N 3.15Å; A347-L351 WeakPolarHBondContact O-CB 3.42Å; A347-L351 WeakPolarHBondContact O-CG 3.41Å; A347-L351 PolarHBondContact O-N 3.04Å; A347-M452 HydrophobicContact CB-SD 3.71Å
348K89.3Confident89.3Confident39 Ų3947.2 Ų47.217%0.1725%0.247CC..Hα-helixtrans-63.4-42.2171.7-73.6-176.1177.4-1660113.1V344 R346 V352 M452 L453 V454 Y469V344-K348 HydrophobicContact CG1-CD 4.37Å; V344-K348 WeakPolarHBondContact O-CB 3.49Å; V344-K348 VanDerWaalsContact O-CG 3.3Å; V344-K348 WeakPolarHBondContact O-CG 3.21Å; V344-K348 PolarHBondContact O-N 2.95Å; R346-K348 VanDerWaalsContact C-N 3.26Å; R346-K348 PolarHBondContact O-N 3.07Å; K348-V352 WeakPolarHBondContact O-CG2 3.45Å; K348-V352 PolarHBondContact O-N 2.96Å; K348-V352 VanDerWaalsContact O-N 3.13Å; K348-M452 HydrophobicContact CG-CE 4.26Å; K348-L453 WeakPolarHBondContact CE-O 3.49Å; K348-L453 PolarHBondContact NZ-O 2.83Å; K348-V454 HydrophobicContact CB-CG1 4.12Å; K348-V454 HydrophobicContact CD-CG1 4.39Å; K348-V454 HydrophobicContact CG-CG1 4.24Å; K348-V454 HydrophobicContact CG-CG2 4.14Å; K348-Y469 HydrophobicContact CB-CD1 3.92Å; K348-Y469 HydrophobicContact CB-CD2 4.16Å; K348-Y469 HydrophobicContact CB-CE1 4.06Å; K348-Y469 HydrophobicContact CB-CE2 4.26Å; K348-Y469 HydrophobicContact CB-CG 3.99Å; K348-Y469 HydrophobicContact CD-CD1 4.2Å; K348-Y469 HydrophobicContact CD-CE1 3.62Å; K348-Y469 HydrophobicContact CG-CE1 4.48Å
349G90.1Very high89.3Confident0 Ų045.4 Ų45.40%024%0.238CC..Hα-helixtrans-60.9-50.2174.100000112.1D345 R346 L351 V352 E353D345-G349 PolarHBondContact O-N 3.45Å; R346-G349 WeakPolarHBondContact O-CA 3.33Å; R346-G349 PolarHBondContact O-N 2.86Å; G349-L351 PolarHBondContact O-N 3.28Å; G349-V352 PolarHBondContact O-N 3.31Å; G349-E353 PolarHBondContact O-N 3.2Å
350E89.3Confident89.4Confident64 Ų6445.3 Ų45.330%0.29924%0.237SC..Hα-helixtrans-62.1-42.4-179.5-69.5170.2158.500111.4R346 A347 V352 E353 M354 Y470R346-E350 HydrophobicContact CG-CG 4.47Å; R346-E350 IonicContact CZ-OE1 3.72Å; R346-E350 IonicContact NE-OE1 3.58Å; R346-E350 PolarHBondContact NE-OE1 3.35Å; R346-E350 IonicContact NE-OE2 2.73Å; R346-E350 PolarHBondContact NE-OE2 3.22Å; R346-E350 IonicContact NH2-OE1 3.47Å; R346-E350 PolarHBondContact NH2-OE1 2.98Å; R346-E350 PolarHBondContact O-N 2.91Å; A347-E350 PolarHBondContact O-N 3.15Å; E350-V352 PolarHBondContact O-N 2.99Å; E350-E353 PolarHBondContact O-N 2.94Å; E350-M354 WeakPolarHBondContact O-CG 3.37Å; E350-M354 PolarHBondContact O-N 2.83Å; E350-Y470 HydrophobicContact CG-CE1 4.42Å; E350-Y470 WeakPolarHBondContact CG-OH 3.29Å; E350-Y470 PolarHBondContact N-OH 3.24Å
351L88.5Confident89.4Confident6 Ų645.9 Ų45.93%0.03123%0.234CC..Hα-helixtrans-65.9-33.8175.4-76.9170.1000113.9A347 G349 M354 N355 L411 M452A347-L351 WeakPolarHBondContact O-CB 3.42Å; A347-L351 WeakPolarHBondContact O-CG 3.41Å; A347-L351 PolarHBondContact O-N 3.04Å; G349-L351 PolarHBondContact O-N 3.28Å; L351-M354 HydrophobicContact CD2-SD 4.39Å; L351-N355 WeakPolarHBondContact O-CB 3.28Å; L351-N355 PolarHBondContact O-N 3.49Å; L351-N355 PolarHBondContact O-ND2 3.02Å; L351-L411 HydrophobicContact CB-CB 4.16Å; L351-L411 HydrophobicContact CB-CD1 4.41Å; L351-M452 HydrophobicContact CD1-CB 3.7Å; L351-M452 HydrophobicContact CD1-CG 3.8Å; L351-M452 HydrophobicContact CD1-SD 4.01Å
352V89.2Confident89.3Confident0 Ų044 Ų440%022%0.218CC..Hα-helixtrans-71.8-37.2174176.90000111K348 G349 E350 N355 L356 L411 V454 A462 A466K348-V352 WeakPolarHBondContact O-CG2 3.45Å; K348-V352 PolarHBondContact O-N 2.96Å; K348-V352 VanDerWaalsContact O-N 3.13Å; G349-V352 PolarHBondContact O-N 3.31Å; E350-V352 PolarHBondContact O-N 2.99Å; V352-N355 CarbonylContact O-C 3.54Å; V352-N355 PolarHBondContact O-N 2.9Å; V352-L356 HydrophobicContact CG1-CD2 4.36Å; V352-L356 WeakPolarHBondContact O-CD2 3.12Å; V352-L356 WeakPolarHBondContact O-CG 3.29Å; V352-L356 PolarHBondContact O-N 2.94Å; V352-L411 HydrophobicContact CG2-CD1 3.77Å; V352-V454 HydrophobicContact CG2-CG1 3.77Å; V352-A462 WeakPolarHBondContact CG1-O 3.33Å; V352-A466 HydrophobicContact CB-CB 4.04Å; V352-A466 HydrophobicContact CG1-CB 3.85Å
353E88Confident89.2Confident70 Ų7042.7 Ų42.733%0.32721%0.212SC..Hα-helixtrans-65.4-38174.9-73.5-172141.200112.7G349 E350 N355 L356 Y463 A466 Y470G349-E353 PolarHBondContact O-N 3.2Å; E350-E353 PolarHBondContact O-N 2.94Å; E353-N355 VanDerWaalsContact C-N 3.3Å; E353-N355 PolarHBondContact O-N 3.47Å; E353-L356 WeakPolarHBondContact O-CG 3.4Å; E353-Y463 WeakPolarHBondContact OE1-CE2 3.42Å; E353-A466 HydrophobicContact CG-CB 3.78Å; E353-Y470 HydrophobicContact CG-CE2 4.28Å; E353-Y470 VanDerWaalsContact OE2-CE2 3.31Å; E353-Y470 WeakPolarHBondContact OE2-CE2 3.24Å; E353-Y470 PolarHBondContact OE2-OH 2.98Å
354M87.4Confident89.3Confident73 Ų7346.3 Ų46.336%0.3623%0.229SC..Hα-helixtrans-65.3-31.7172.5-69.1170.8-177.800113.1E350 L351 N413 P414E350-M354 WeakPolarHBondContact O-CG 3.37Å; E350-M354 PolarHBondContact O-N 2.83Å; L351-M354 HydrophobicContact CD2-SD 4.39Å; M354-N413 HydrophobicContact SD-CB 4.28Å; M354-P414 HydrophobicContact CB-CG 4.34Å
355N89.4Confident89.2Confident20 Ų2048 Ų4811%0.10724%0.24CC..THydrogen-bonded Turntrans-108.416-171.8-71.1-85.9000114.5L351 V352 E353 A357 V358 V359 L411 K412L351-N355 WeakPolarHBondContact O-CB 3.28Å; L351-N355 PolarHBondContact O-N 3.49Å; L351-N355 PolarHBondContact O-ND2 3.02Å; V352-N355 CarbonylContact O-C 3.54Å; V352-N355 PolarHBondContact O-N 2.9Å; E353-N355 VanDerWaalsContact C-N 3.3Å; E353-N355 PolarHBondContact O-N 3.47Å; N355-A357 VanDerWaalsContact C-N 3.25Å; N355-A357 PolarHBondContact O-N 2.92Å; N355-V358 PolarHBondContact O-N 3.38Å; N355-V359 HydrophobicContact CB-CG2 4.21Å; N355-V359 PolarHBondContact O-N 3.06Å; N355-L411 HydrophobicContact CB-CD1 4.36Å; N355-L411 HydrophobicContact CB-CD2 4.03Å; N355-K412 PolarHBondContact ND2-O 2.87Å
356L89.4Confident89Confident58 Ų5846.6 Ų46.630%0.30423%0.232SC..Hα-helixtrans-47.6-43.1-172.4-71.6169.9000113.9V352 E353 V358 V359 E360 A462 Y463V352-L356 HydrophobicContact CG1-CD2 4.36Å; V352-L356 WeakPolarHBondContact O-CD2 3.12Å; V352-L356 WeakPolarHBondContact O-CG 3.29Å; V352-L356 PolarHBondContact O-N 2.94Å; E353-L356 WeakPolarHBondContact O-CG 3.4Å; L356-V358 VanDerWaalsContact C-N 3.34Å; L356-V358 PolarHBondContact O-N 2.87Å; L356-V359 PolarHBondContact O-N 2.85Å; L356-E360 WeakPolarHBondContact O-CB 3.44Å; L356-E360 PolarHBondContact O-N 3.33Å; L356-A462 HydrophobicContact CD2-CB 3.67Å; L356-Y463 HydrophobicContact CD1-CD2 4.26Å; L356-Y463 HydrophobicContact CD2-CD2 4.36Å
357A88.6Confident89Confident68 Ų6844.9 Ų44.956%0.56223%0.225SC*.Hα-helixtrans-69.4-26.7-179.700000113.8N355 R361N355-A357 VanDerWaalsContact C-N 3.25Å; N355-A357 PolarHBondContact O-N 2.92Å; A357-R361 WeakPolarHBondContact O-CG 3.34Å; A357-R361 PolarHBondContact O-NE 3.3Å; A357-R361 PolarHBondContact O-NH2 3.45Å
358V88.8Confident89Confident33 Ų3346.9 Ų46.920%0.224%0.238CC..Hα-helixtrans-79.5-44.4173.2-177.10000109.6N355 L356 R361 A362 V393 A396 M409N355-V358 PolarHBondContact O-N 3.38Å; L356-V358 VanDerWaalsContact C-N 3.34Å; L356-V358 PolarHBondContact O-N 2.87Å; V358-R361 PolarHBondContact O-N 2.81Å; V358-A362 PolarHBondContact O-N 3.33Å; V358-V393 HydrophobicContact CG1-CG2 4.45Å; V358-A396 HydrophobicContact CG1-CB 4.13Å; V358-M409 HydrophobicContact CG1-CE 4.14Å
359V90Very high88.9Confident0 Ų045.7 Ų45.70%024%0.236CC..Hα-helixtrans-66-44.9-178.1179.60000112.1N355 L356 R361 A362 L363 M409 L411 V456 A462N355-V359 HydrophobicContact CB-CG2 4.21Å; N355-V359 PolarHBondContact O-N 3.06Å; L356-V359 PolarHBondContact O-N 2.85Å; V359-R361 VanDerWaalsContact C-N 3.33Å; V359-R361 PolarHBondContact O-N 3.46Å; V359-A362 PolarHBondContact O-N 2.88Å; V359-L363 HydrophobicContact CG1-CD1 4.13Å; V359-L363 HydrophobicContact CG1-CG 4.46Å; V359-L363 WeakPolarHBondContact O-CB 3.48Å; V359-L363 VanDerWaalsContact O-CG 3.29Å; V359-L363 WeakPolarHBondContact O-CG 3.48Å; V359-L363 PolarHBondContact O-N 2.75Å; V359-M409 HydrophobicContact CB-SD 4.43Å; V359-M409 HydrophobicContact CG1-SD 4.31Å; V359-M409 HydrophobicContact CG2-CE 4.45Å; V359-M409 HydrophobicContact CG2-SD 4.1Å; V359-L411 HydrophobicContact CG2-CD1 4.17Å; V359-L411 HydrophobicContact CG2-CD2 4.11Å; V359-V456 HydrophobicContact CG1-CG1 3.67Å; V359-V456 HydrophobicContact CG1-CG2 4.11Å; V359-A462 HydrophobicContact CB-CB 3.86Å; V359-A462 HydrophobicContact CG1-CB 3.65Å
360E90.8Very high88.7Confident63 Ų6348.3 Ų48.329%0.29425%0.25SC..Hα-helixtrans-68.6-31.5178.9-160.969.4-126.500112L356 L363 Q364 R367 S461 A462L356-E360 WeakPolarHBondContact O-CB 3.44Å; L356-E360 PolarHBondContact O-N 3.33Å; E360-L363 PolarHBondContact O-N 2.92Å; E360-Q364 VanDerWaalsContact O-CB 3.31Å; E360-Q364 WeakPolarHBondContact O-CB 3.24Å; E360-Q364 PolarHBondContact O-N 3.15Å; E360-R367 IonicContact OE1-NH1 3.68Å; E360-R367 PolarHBondContact OE1-NH1 3.42Å; E360-S461 WeakPolarHBondContact OE2-CA 3.47Å; E360-S461 VanDerWaalsContact OE2-CB 3.31Å; E360-S461 WeakPolarHBondContact OE2-CB 3.38Å; E360-A462 HydrophobicContact CB-CB 4.16Å; E360-A462 WeakPolarHBondContact OE2-CB 3.35Å; E360-A462 PolarHBondContact OE2-N 3.18Å
361R89.1Confident88.6Confident133 Ų13348.9 Ų48.950%0.50227%0.265SS..Hα-helixtrans-66.8-44.4171.5-78.4-177.7-69.3-172.30.7111.9A357 V358 V359 L363 Q364 V365 V393A357-R361 WeakPolarHBondContact O-CG 3.34Å; A357-R361 PolarHBondContact O-NE 3.3Å; A357-R361 PolarHBondContact O-NH2 3.45Å; V358-R361 PolarHBondContact O-N 2.81Å; V359-R361 VanDerWaalsContact C-N 3.33Å; V359-R361 PolarHBondContact O-N 3.46Å; R361-L363 VanDerWaalsContact C-N 3.33Å; R361-L363 PolarHBondContact O-N 2.94Å; R361-Q364 PolarHBondContact O-N 2.9Å; R361-V365 WeakPolarHBondContact O-CG2 3.45Å; R361-V365 PolarHBondContact O-N 2.86Å; R361-V393 HydrophobicContact CB-CG1 4.29Å; R361-V393 HydrophobicContact CB-CG2 4.2Å
362A88.4Confident88.7Confident1 Ų154.5 Ų54.51%0.00830%0.295CS..Hα-helixtrans-59.1-44.7174.300000111.8V358 V359 V366 V393 I397 M409V358-A362 PolarHBondContact O-N 3.33Å; V359-A362 PolarHBondContact O-N 2.88Å; A362-V366 PolarHBondContact O-N 3.27Å; A362-V366 VanDerWaalsContact O-N 3.14Å; A362-V393 HydrophobicContact CB-CG1 3.72Å; A362-I397 HydrophobicContact CB-CD1 4.08Å; A362-I397 HydrophobicContact CB-CG1 4.32Å; A362-M409 HydrophobicContact CB-CE 3.58Å; A362-M409 HydrophobicContact CB-SD 3.83Å
363L89.6Confident88.5Confident3 Ų362.9 Ų62.92%0.01634%0.335CS..Hα-helixtrans-59.3-46.3173.8-74.9172.3000111.9V359 E360 R361 R367 V456 L458 L460 A462V359-L363 HydrophobicContact CG1-CD1 4.13Å; V359-L363 HydrophobicContact CG1-CG 4.46Å; V359-L363 WeakPolarHBondContact O-CB 3.48Å; V359-L363 VanDerWaalsContact O-CG 3.29Å; V359-L363 WeakPolarHBondContact O-CG 3.48Å; V359-L363 PolarHBondContact O-N 2.75Å; E360-L363 PolarHBondContact O-N 2.92Å; R361-L363 VanDerWaalsContact C-N 3.33Å; R361-L363 PolarHBondContact O-N 2.94Å; L363-R367 WeakPolarHBondContact O-CB 3.39Å; L363-R367 WeakPolarHBondContact O-CD 3.38Å; L363-R367 WeakPolarHBondContact O-CG 3.27Å; L363-R367 PolarHBondContact O-N 2.97Å; L363-V456 HydrophobicContact CD1-CG1 4.12Å; L363-V456 HydrophobicContact CD2-CG1 3.89Å; L363-V456 HydrophobicContact CG-CG1 4.15Å; L363-L458 HydrophobicContact CD2-CD2 3.97Å; L363-L458 HydrophobicContact CD2-CG 4.49Å; L363-L460 WeakPolarHBondContact CD1-O 3.46Å; L363-A462 HydrophobicContact CD1-CB 4.35Å
364Q89.3Confident88.5Confident131 Ų13161.3 Ų61.361%0.61233%0.33SS*.Hα-helixtrans-65.3-42.7-179.1-173.3175.94.100112.4E360 R361 S368E360-Q364 VanDerWaalsContact O-CB 3.31Å; E360-Q364 WeakPolarHBondContact O-CB 3.24Å; E360-Q364 PolarHBondContact O-N 3.15Å; R361-Q364 PolarHBondContact O-N 2.9Å; Q364-S368 WeakPolarHBondContact O-CB 3.49Å; Q364-S368 PolarHBondContact O-N 2.6Å; Q364-S368 PolarHBondContact O-OG 3.42Å
365V88.3Confident88.5Confident81 Ų8163.1 Ų63.149%0.49134%0.341SS..Hα-helixtrans-62.2-50.2177.8169.60000111.3R361 S368 A369R361-V365 WeakPolarHBondContact O-CG2 3.45Å; R361-V365 PolarHBondContact O-N 2.86Å; V365-S368 PolarHBondContact O-N 3.17Å; V365-S368 PolarHBondContact O-OG 3.1Å; V365-A369 PolarHBondContact O-N 3.35Å; V365-A369 VanDerWaalsContact O-N 3.12Å
366V86.9Confident88.3Confident1 Ų168.8 Ų68.81%0.00636%0.361CS..Hα-helixtrans-73.6-31.9-178179.40000111.8A362 A369 L370 I379 L400 L402 I407 L458A362-V366 PolarHBondContact O-N 3.27Å; A362-V366 VanDerWaalsContact O-N 3.14Å; V366-A369 PolarHBondContact O-N 3.42Å; V366-L370 HydrophobicContact CG1-CD1 4.03Å; V366-L370 HydrophobicContact CG1-CG 4.39Å; V366-L370 WeakPolarHBondContact O-CB 3.33Å; V366-L370 VanDerWaalsContact O-CG 3.29Å; V366-L370 WeakPolarHBondContact O-CG 3.23Å; V366-L370 PolarHBondContact O-N 3.42Å; V366-I379 HydrophobicContact CG1-CG2 4.24Å; V366-L400 HydrophobicContact CG2-CD2 4.5Å; V366-L402 HydrophobicContact CG1-CD2 4.04Å; V366-I407 HydrophobicContact CB-CD1 3.86Å; V366-I407 HydrophobicContact CG1-CD1 4.01Å; V366-I407 HydrophobicContact CG2-CD1 3.68Å; V366-L458 HydrophobicContact CB-CD2 3.97Å; V366-L458 HydrophobicContact CG1-CD1 4.09Å; V366-L458 HydrophobicContact CG1-CD2 3.93Å
367R88.8Confident88.1Confident81 Ų8171.7 Ų71.731%0.30638%0.381SS..Hα-helixtrans-60.5-41.7168.9-78.7171.5-177.3143.98.1112.5E360 L363 L370 A371 L458 L460E360-R367 IonicContact OE1-NH1 3.68Å; E360-R367 PolarHBondContact OE1-NH1 3.42Å; L363-R367 WeakPolarHBondContact O-CB 3.39Å; L363-R367 WeakPolarHBondContact O-CD 3.38Å; L363-R367 WeakPolarHBondContact O-CG 3.27Å; L363-R367 PolarHBondContact O-N 2.97Å; R367-L370 PolarHBondContact O-N 3.25Å; R367-A371 VanDerWaalsContact O-CB 3.28Å; R367-A371 WeakPolarHBondContact O-CB 3.46Å; R367-A371 PolarHBondContact O-N 2.93Å; R367-L458 HydrophobicContact CG-CD2 4.47Å; R367-L458 PolarHBondContact NE-O 2.93Å; R367-L458 PolarHBondContact NH2-O 3.43Å; R367-L460 PolarHBondContact NH2-O 3.17Å
368S89.7Confident87.9Confident59 Ų5973.7 Ų73.741%0.41338%0.379SS..Hα-helixtrans-69.3-39.1-179.368.80000111.6Q364 V365 A371 N372Q364-S368 WeakPolarHBondContact O-CB 3.49Å; Q364-S368 PolarHBondContact O-N 2.6Å; Q364-S368 PolarHBondContact O-OG 3.42Å; V365-S368 PolarHBondContact O-N 3.17Å; V365-S368 PolarHBondContact O-OG 3.1Å; S368-A371 PolarHBondContact O-N 3.04Å; S368-N372 WeakPolarHBondContact O-CB 3.33Å; S368-N372 PolarHBondContact O-N 2.78Å; S368-N372 PolarHBondContact O-ND2 3.39Å
369A86.8Confident87.6Confident15 Ų1572.3 Ų72.312%0.12437%0.37CS..Hα-helixtrans-61.7-45.4172.800000112.3V365 V366 N372 Q373 V374 I379V365-A369 PolarHBondContact O-N 3.35Å; V365-A369 VanDerWaalsContact O-N 3.12Å; V366-A369 PolarHBondContact O-N 3.42Å; A369-N372 PolarHBondContact O-N 2.93Å; A369-Q373 PolarHBondContact O-N 3.48Å; A369-V374 HydrophobicContact CB-CB 4.41Å; A369-V374 WeakPolarHBondContact O-CB 3.16Å; A369-V374 WeakPolarHBondContact O-CG2 3.1Å; A369-V374 PolarHBondContact O-N 3.39Å; A369-V374 VanDerWaalsContact O-N 3.12Å; A369-I379 HydrophobicContact CB-CD1 3.93Å; A369-I379 HydrophobicContact CB-CG1 3.95Å
370L86.8Confident87.4Confident55 Ų5573.7 Ų73.729%0.28838%0.384SS..Hα-helixtrans-64.9-37.7175.4-71168.6000112.7V366 R367 N372 Q373 I379 L458V366-L370 HydrophobicContact CG1-CD1 4.03Å; V366-L370 HydrophobicContact CG1-CG 4.39Å; V366-L370 WeakPolarHBondContact O-CB 3.33Å; V366-L370 VanDerWaalsContact O-CG 3.29Å; V366-L370 WeakPolarHBondContact O-CG 3.23Å; V366-L370 PolarHBondContact O-N 3.42Å; R367-L370 PolarHBondContact O-N 3.25Å; L370-N372 VanDerWaalsContact C-N 3.32Å; L370-Q373 PolarHBondContact O-N 2.65Å; L370-I379 HydrophobicContact CD2-CD1 3.65Å; L370-I379 HydrophobicContact CG-CD1 3.9Å; L370-L458 HydrophobicContact CD1-CD1 4.08Å
371A87.8Confident87.1Confident75 Ų7573.5 Ų73.562%0.6239%0.393SS*.Hα-helixtrans-67.6-32.717600000112.5R367 S368 Q373R367-A371 VanDerWaalsContact O-CB 3.28Å; R367-A371 WeakPolarHBondContact O-CB 3.46Å; R367-A371 PolarHBondContact O-N 2.93Å; S368-A371 PolarHBondContact O-N 3.04Å; A371-Q373 PolarHBondContact O-N 3.23Å
372N89.7Confident86.9Confident124 Ų12471.2 Ų71.266%0.66339%0.391SS*.THydrogen-bonded Turntrans-78.66173.9-68.1-11.9000113.4S368 A369 L370 V374S368-N372 WeakPolarHBondContact O-CB 3.33Å; S368-N372 PolarHBondContact O-N 2.78Å; S368-N372 PolarHBondContact O-ND2 3.39Å; A369-N372 PolarHBondContact O-N 2.93Å; L370-N372 VanDerWaalsContact C-N 3.32Å; N372-V374 VanDerWaalsContact C-N 3.26Å; N372-V374 HydrophobicContact CB-CG2 4.11Å; N372-V374 PolarHBondContact O-N 2.92Å
373Q84.4Confident86.7Confident177 Ų17771.8 Ų71.883%0.82739%0.394SS*.THydrogen-bonded Turntrans61.328.3179.5-51.6-179.115.800114.3A369 L370 A371A369-Q373 PolarHBondContact O-N 3.48Å; L370-Q373 PolarHBondContact O-N 2.65Å; A371-Q373 PolarHBondContact O-N 3.23Å
374V87.8Confident86.5Confident37 Ų3778.7 Ų78.722%0.22442%0.424CS..  trans-70.6134.6176-178.50000110.3A369 N372 E378 I379 I382A369-V374 HydrophobicContact CB-CB 4.41Å; A369-V374 WeakPolarHBondContact O-CB 3.16Å; A369-V374 WeakPolarHBondContact O-CG2 3.1Å; A369-V374 PolarHBondContact O-N 3.39Å; A369-V374 VanDerWaalsContact O-N 3.12Å; N372-V374 VanDerWaalsContact C-N 3.26Å; N372-V374 HydrophobicContact CB-CG2 4.11Å; N372-V374 PolarHBondContact O-N 2.92Å; V374-E378 HydrophobicContact CG1-CB 3.7Å; V374-I379 HydrophobicContact CB-CD1 4.48Å; V374-I379 HydrophobicContact CB-CG1 4.07Å; V374-I379 HydrophobicContact CG1-CG1 3.78Å; V374-I382 HydrophobicContact CG1-CD1 4.18Å
375D87.8Confident86.4Confident110 Ų11079 Ų7959%0.58843%0.425SS*.  trans-68.4146.9-175.8-101.4-42.3000112.5T377 E378 I379D375-T377 PolarHBondContact O-N 3.03Å; D375-T377 VanDerWaalsContact O-N 3.1Å; D375-E378 HydrophobicContact CB-CG 4.16Å; D375-E378 WeakPolarHBondContact O-CA 3.46Å; D375-E378 WeakPolarHBondContact O-CB 3.47Å; D375-E378 PolarHBondContact O-N 3.02Å; D375-I379 WeakPolarHBondContact O-CG1 3.17Å; D375-I379 PolarHBondContact O-N 3.08Å
376W85.1Confident86.1Confident140 Ų14076.1 Ų76.153%0.5341%0.41SS..Hα-helixtrans-57.9-31.5-173.8-66.7-9.4000114G380 L402 Q403W376-G380 PolarHBondContact O-N 3.41Å; W376-L402 HydrophobicContact CB-CD1 3.83Å; W376-L402 HydrophobicContact CD2-CB 4.15Å; W376-L402 HydrophobicContact CG-CB 4.18Å; W376-L402 HydrophobicContact CG-CD1 3.8Å; W376-Q403 HydrophobicContact CE3-CG 4.37Å; W376-Q403 HydrophobicContact CH2-CG 4.32Å; W376-Q403 HydrophobicContact CZ3-CG 3.74Å
377T85.3Confident86.1Confident118 Ų11879.4 Ų79.472%0.72443%0.425SS*.Hα-helixtrans-69.3-36.1173.939.40000112.6D375 G380 A381D375-T377 PolarHBondContact O-N 3.03Å; D375-T377 VanDerWaalsContact O-N 3.1Å; T377-G380 PolarHBondContact O-N 3.29Å; T377-A381 PolarHBondContact O-N 2.77Å
378E84.4Confident85.9Confident110 Ų11080 Ų8051%0.51445%0.448SS..Hα-helixtrans-75.6-39.9178.5-58-174.2146.500111.1V374 D375 G380 A381 I382V374-E378 HydrophobicContact CG1-CB 3.7Å; D375-E378 HydrophobicContact CB-CG 4.16Å; D375-E378 WeakPolarHBondContact O-CA 3.46Å; D375-E378 WeakPolarHBondContact O-CB 3.47Å; D375-E378 PolarHBondContact O-N 3.02Å; E378-G380 PolarHBondContact O-N 3.05Å; E378-A381 WeakPolarHBondContact O-CA 3.49Å; E378-A381 WeakPolarHBondContact O-CB 3.4Å; E378-A381 PolarHBondContact O-N 3.06Å; E378-I382 VanDerWaalsContact O-CG1 3.29Å; E378-I382 WeakPolarHBondContact O-CG1 3.42Å; E378-I382 PolarHBondContact O-N 3Å
379I83.9Confident85.5Confident4 Ų481.7 Ų81.72%0.02146%0.459CS..Hα-helixtrans-56-40.9169.5-59.5-178.1000110.3V366 A369 L370 V374 D375 V383 L400 L402V366-I379 HydrophobicContact CG1-CG2 4.24Å; A369-I379 HydrophobicContact CB-CD1 3.93Å; A369-I379 HydrophobicContact CB-CG1 3.95Å; L370-I379 HydrophobicContact CD2-CD1 3.65Å; L370-I379 HydrophobicContact CG-CD1 3.9Å; V374-I379 HydrophobicContact CB-CD1 4.48Å; V374-I379 HydrophobicContact CB-CG1 4.07Å; V374-I379 HydrophobicContact CG1-CG1 3.78Å; D375-I379 WeakPolarHBondContact O-CG1 3.17Å; D375-I379 PolarHBondContact O-N 3.08Å; I379-V383 WeakPolarHBondContact O-CG2 3.43Å; I379-V383 PolarHBondContact O-N 3.44Å; I379-L400 HydrophobicContact CG2-CD1 4.25Å; I379-L402 HydrophobicContact CB-CD1 4.42Å; I379-L402 HydrophobicContact CD1-CD1 4.41Å; I379-L402 HydrophobicContact CG2-CD1 4.36Å
380G84.3Confident85.1Confident29 Ų2983.2 Ų83.230%0.29948%0.477SS..Hα-helixtrans-64.6-37.3173.900000114.1W376 T377 E378 K384W376-G380 PolarHBondContact O-N 3.41Å; T377-G380 PolarHBondContact O-N 3.29Å; E378-G380 PolarHBondContact O-N 3.05Å; G380-K384 WeakPolarHBondContact O-CB 3.34Å; G380-K384 PolarHBondContact O-N 2.72Å
381A85.3Confident84.9Confident59 Ų5984.7 Ų84.749%0.48849%0.485SS..Hα-helixtrans-67.8-47.6174.800000111.8T377 E378 V383 K384 E385T377-A381 PolarHBondContact O-N 2.77Å; E378-A381 WeakPolarHBondContact O-CA 3.49Å; E378-A381 WeakPolarHBondContact O-CB 3.4Å; E378-A381 PolarHBondContact O-N 3.06Å; A381-V383 PolarHBondContact O-N 2.9Å; A381-K384 CarbonylContact O-C 3.56Å; A381-K384 WeakPolarHBondContact O-CB 3.36Å; A381-K384 PolarHBondContact O-N 2.63Å; A381-E385 PolarHBondContact O-N 2.88Å
382I84.6Confident84.4Confident86 Ų8685.9 Ų85.944%0.44149%0.486SS..Hα-helixtrans-59.1-45.1179.3-67.3161.9000111.1V374 E378 K384 E385 A386V374-I382 HydrophobicContact CG1-CD1 4.18Å; E378-I382 VanDerWaalsContact O-CG1 3.29Å; E378-I382 WeakPolarHBondContact O-CG1 3.42Å; E378-I382 PolarHBondContact O-N 3Å; I382-K384 VanDerWaalsContact C-N 3.3Å; I382-K384 PolarHBondContact O-N 2.95Å; I382-E385 PolarHBondContact O-N 2.83Å; I382-A386 WeakPolarHBondContact O-CB 3.49Å; I382-A386 PolarHBondContact O-N 3.12Å
383V84.7Confident84Confident12 Ų1281.3 Ų81.37%0.07346%0.463CS..Hα-helixtrans-64.4-36176.5171.10000111.5I379 A381 Q387 I397 L400I379-V383 WeakPolarHBondContact O-CG2 3.43Å; I379-V383 PolarHBondContact O-N 3.44Å; A381-V383 PolarHBondContact O-N 2.9Å; V383-Q387 WeakPolarHBondContact O-CB 3.45Å; V383-Q387 VanDerWaalsContact O-CG 3.25Å; V383-Q387 WeakPolarHBondContact O-CG 3.39Å; V383-Q387 PolarHBondContact O-N 3.45Å; V383-I397 HydrophobicContact CG1-CB 4.26Å; V383-I397 HydrophobicContact CG1-CD1 4.44Å; V383-I397 HydrophobicContact CG1-CG2 4.06Å; V383-L400 HydrophobicContact CB-CD1 4.33Å; V383-L400 HydrophobicContact CG2-CD1 4.19Å
384K85.1Confident83.8Confident149 Ų14973.3 Ų73.365%0.64843%0.427SS*.Hα-helixtrans-72.5-32.8177.6-170.2179.2178.9-174.60112.9G380 A381 I382 Q387 A388G380-K384 WeakPolarHBondContact O-CB 3.34Å; G380-K384 PolarHBondContact O-N 2.72Å; A381-K384 CarbonylContact O-C 3.56Å; A381-K384 WeakPolarHBondContact O-CB 3.36Å; A381-K384 PolarHBondContact O-N 2.63Å; I382-K384 VanDerWaalsContact C-N 3.3Å; I382-K384 PolarHBondContact O-N 2.95Å; K384-Q387 WeakPolarHBondContact O-CB 3.4Å; K384-A388 PolarHBondContact O-N 3.03Å
385E86.4Confident83.6Confident136 Ų13674.8 Ų74.864%0.63644%0.438SS*.Hα-helixtrans-69.7-43.8173-174.6170.5-163.100111.4A381 I382 Q387 A388 S389A381-E385 PolarHBondContact O-N 2.88Å; I382-E385 PolarHBondContact O-N 2.83Å; E385-Q387 VanDerWaalsContact C-N 3.32Å; E385-Q387 PolarHBondContact O-N 3.18Å; E385-A388 PolarHBondContact O-N 3Å; E385-A388 VanDerWaalsContact O-N 3.14Å; E385-S389 PolarHBondContact O-N 3.4Å; E385-S389 PolarHBondContact O-OG 2.81Å
386A83.4Confident83.4Confident22 Ų2270.2 Ų70.218%0.18242%0.415CS..Hα-helixtrans-62.3-37172.200000112.4I382 S389 G390 D391 A394I382-A386 WeakPolarHBondContact O-CB 3.49Å; I382-A386 PolarHBondContact O-N 3.12Å; A386-S389 CarbonylContact O-C 3.53Å; A386-S389 WeakPolarHBondContact O-CB 3.39Å; A386-S389 PolarHBondContact O-N 3.03Å; A386-G390 PolarHBondContact O-N 3.36Å; A386-G390 VanDerWaalsContact O-N 3.1Å; A386-D391 HydrophobicContact CB-CB 4.25Å; A386-D391 PolarHBondContact O-N 3.25Å; A386-A394 HydrophobicContact CB-CB 3.52Å
387Q85.3Confident83.4Confident69 Ų6963.9 Ų63.932%0.32239%0.392SS..Hα-helixtrans-61.1-43.8170.3-78.2169.7-1.200112.4V383 K384 E385 S389 G390 A394 I397V383-Q387 WeakPolarHBondContact O-CB 3.45Å; V383-Q387 VanDerWaalsContact O-CG 3.25Å; V383-Q387 WeakPolarHBondContact O-CG 3.39Å; V383-Q387 PolarHBondContact O-N 3.45Å; K384-Q387 WeakPolarHBondContact O-CB 3.4Å; E385-Q387 VanDerWaalsContact C-N 3.32Å; E385-Q387 PolarHBondContact O-N 3.18Å; Q387-S389 PolarHBondContact O-N 3.18Å; Q387-G390 PolarHBondContact O-N 3.06Å; Q387-G390 VanDerWaalsContact O-N 3.11Å; Q387-A394 HydrophobicContact CG-CB 3.97Å; Q387-A394 WeakPolarHBondContact CG-O 3.42Å; Q387-A394 PolarHBondContact NE2-O 2.77Å; Q387-I397 PolarHBondContact NE2-O 2.82Å
388A84.6Confident83.3Confident95 Ų9564.5 Ų64.579%0.78539%0.385SS*.Hα-helixtrans-66.8-27.1175.500000112.8K384 E385 G390K384-A388 PolarHBondContact O-N 3.03Å; E385-A388 PolarHBondContact O-N 3Å; E385-A388 VanDerWaalsContact O-N 3.14Å; A388-G390 VanDerWaalsContact C-N 3.29Å
389S81.6Confident83.3Confident93 Ų9363.6 Ų63.665%0.6538%0.38SS*.THydrogen-bonded Turntrans-79.4-9.1173.3-54.20000113.4E385 A386 Q387E385-S389 PolarHBondContact O-N 3.4Å; E385-S389 PolarHBondContact O-OG 2.81Å; A386-S389 CarbonylContact O-C 3.53Å; A386-S389 WeakPolarHBondContact O-CB 3.39Å; A386-S389 PolarHBondContact O-N 3.03Å; Q387-S389 PolarHBondContact O-N 3.18Å
390G78.1Confident83.4Confident47 Ų4765.8 Ų65.849%0.48539%0.392SS..THydrogen-bonded Turntrans8713.3176.900000115.7A386 Q387 A388 P392A386-G390 PolarHBondContact O-N 3.36Å; A386-G390 VanDerWaalsContact O-N 3.1Å; Q387-G390 PolarHBondContact O-N 3.06Å; Q387-G390 VanDerWaalsContact O-N 3.11Å; A388-G390 VanDerWaalsContact C-N 3.29Å; G390-P392 WeakPolarHBondContact O-CD 3.38Å
391D83.2Confident83.4Confident87 Ų8767.8 Ų67.847%0.46539%0.392SS..  trans-61.4120.2-175.5-102.5-39.4000112.1A386 V393 A394 C395A386-D391 HydrophobicContact CB-CB 4.25Å; A386-D391 PolarHBondContact O-N 3.25Å; D391-V393 PolarHBondContact O-N 2.81Å; D391-A394 HydrophobicContact CB-CB 3.84Å; D391-A394 PolarHBondContact O-N 2.83Å; D391-C395 PolarHBondContact O-N 2.84Å; D391-C395 PolarHBondContact O-SG 3.29Å; D391-C395 VanDerWaalsContact O-SG 3.39Å
392P77.4Confident83.2Confident100 Ų10065.8 Ų65.865%0.64937%0.373SS*.Hα-helixtrans-58.7-29-176-27.735.5000114.3G390 A396G390-P392 WeakPolarHBondContact O-CD 3.38Å; P392-A396 PolarHBondContact O-N 3.37Å
393V81.3Confident83.1Confident28 Ų2869.9 Ų69.917%0.1739%0.39CS..Hα-helixtrans-75.7-38.8177-175.80000111.2V358 R361 A362 D391 A396V358-V393 HydrophobicContact CG1-CG2 4.45Å; R361-V393 HydrophobicContact CB-CG1 4.29Å; R361-V393 HydrophobicContact CB-CG2 4.2Å; A362-V393 HydrophobicContact CB-CG1 3.72Å; D391-V393 PolarHBondContact O-N 2.81Å; V393-A396 PolarHBondContact O-N 2.79Å
394A81.1Confident83Confident8 Ų873.5 Ų73.57%0.06641%0.413CS..Hα-helixtrans-73.5-40179.100000111.5A386 Q387 D391 A396 I397A386-A394 HydrophobicContact CB-CB 3.52Å; Q387-A394 HydrophobicContact CG-CB 3.97Å; Q387-A394 WeakPolarHBondContact CG-O 3.42Å; Q387-A394 PolarHBondContact NE2-O 2.77Å; D391-A394 HydrophobicContact CB-CB 3.84Å; D391-A394 PolarHBondContact O-N 2.83Å; A394-A396 PolarHBondContact O-N 3.1Å; A394-I397 PolarHBondContact O-N 2.94Å; A394-I397 VanDerWaalsContact O-N 3.08Å
395C82.6Confident83.1Confident69 Ų6969.6 Ų69.647%0.46640%0.399SS..Hα-helixtrans-62.8-25.8173.2-67.40000113.4D391D391-C395 PolarHBondContact O-N 2.84Å; D391-C395 PolarHBondContact O-SG 3.29Å; D391-C395 VanDerWaalsContact O-SG 3.39Å
396A83.2Confident83.2Confident13 Ų1364.5 Ų64.511%0.10738%0.375CS..Hα-helixtrans-77-22.2173.500000113.4V358 P392 V393 A394 M409 L410V358-A396 HydrophobicContact CG1-CB 4.13Å; P392-A396 PolarHBondContact O-N 3.37Å; V393-A396 PolarHBondContact O-N 2.79Å; A394-A396 PolarHBondContact O-N 3.1Å; A396-M409 HydrophobicContact CB-CE 3.85Å; A396-M409 CarbonylContact O-C 3.58Å; A396-M409 WeakPolarHBondContact O-CA 3.35Å; A396-L410 PolarHBondContact O-N 2.87Å
397I86Confident83.5Confident8 Ų863.6 Ų63.64%0.04137%0.367CS..EExtended strand (participates in β ladder)trans-82.5122.5177.1-64.8168.9000109A362 V383 Q387 A394 L400 I407 M409A362-I397 HydrophobicContact CB-CD1 4.08Å; A362-I397 HydrophobicContact CB-CG1 4.32Å; V383-I397 HydrophobicContact CG1-CB 4.26Å; V383-I397 HydrophobicContact CG1-CD1 4.44Å; V383-I397 HydrophobicContact CG1-CG2 4.06Å; Q387-I397 PolarHBondContact NE2-O 2.82Å; A394-I397 PolarHBondContact O-N 2.94Å; A394-I397 VanDerWaalsContact O-N 3.08Å; I397-L400 HydrophobicContact CG2-CD2 3.88Å; I397-L400 HydrophobicContact CG2-CG 4.26Å; I397-I407 HydrophobicContact CB-CG2 4.42Å; I397-I407 HydrophobicContact CG1-CG2 4.14Å; I397-I407 HydrophobicContact CG2-CG2 3.72Å; I397-M409 HydrophobicContact CG1-CE 4.34Å; I397-M409 HydrophobicContact CG1-CG 4.42Å
398K83.8Confident83.7Confident131 Ų13160.3 Ų60.357%0.5735%0.352SS*.EExtended strand (participates in β ladder)trans-104.8-41.8-179.7-164.2176.3-171.5-179.30113.8T408 L453K398-T408 PolarHBondContact N-O 2.95Å; K398-L453 HydrophobicContact CB-CD2 4.27Å; K398-L453 HydrophobicContact CD-CD1 4.4Å; K398-L453 HydrophobicContact CD-CD2 3.61Å
399E84.3Confident83.9Confident91 Ų9155.9 Ų55.943%0.42532%0.315SS..EExtended strand (participates in β ladder)trans-140.3133.8-179.7-48.4166.7164.600110.6K401 T408E399-K401 VanDerWaalsContact OE2-CE 3.32Å; E399-K401 WeakPolarHBondContact OE2-CE 3.38Å; E399-K401 IonicContact OE2-NZ 2.7Å; E399-T408 HydrophobicContact CB-CG2 4.09Å; E399-T408 WeakPolarHBondContact CB-OG1 3.33Å; E399-T408 WeakPolarHBondContact CG-OG1 3.44Å; E399-T408 PolarHBondContact N-O 3.43Å; E399-T408 PolarHBondContact N-OG1 2.97Å; E399-T408 PolarHBondContact O-N 2.82Å; E399-T408 WeakPolarHBondContact OE2-CG2 3.4Å; E399-T408 PolarHBondContact OE2-OG1 3.42Å
400L84.8Confident84.3Confident50 Ų5055 Ų5526%0.26230%0.303SS..EExtended strand (participates in β ladder)trans-96.995.9176.8-68.8171.9000110V366 I379 V383 I397 L402 I407V366-L400 HydrophobicContact CG2-CD2 4.5Å; I379-L400 HydrophobicContact CG2-CD1 4.25Å; V383-L400 HydrophobicContact CB-CD1 4.33Å; V383-L400 HydrophobicContact CG2-CD1 4.19Å; I397-L400 HydrophobicContact CG2-CD2 3.88Å; I397-L400 HydrophobicContact CG2-CG 4.26Å; L400-L402 HydrophobicContact CB-CG 4.16Å; L400-L402 PolarHBondContact O-N 3.1Å; L400-L402 VanDerWaalsContact O-N 3.11Å; L400-I407 HydrophobicContact CD2-CD1 3.94Å; L400-I407 HydrophobicContact CD2-CG1 3.94Å; L400-I407 HydrophobicContact CD2-CG2 4.22Å
401K85.1Confident84.7Confident70 Ų7052.9 Ų52.930%0.30428%0.28SS..EExtended strand (participates in β ladder)trans-87.752.9177.9-63.6171.1176.3164.10110.8E399 Q403 T404 N405 H406 T408 D455E399-K401 VanDerWaalsContact OE2-CE 3.32Å; E399-K401 WeakPolarHBondContact OE2-CE 3.38Å; E399-K401 IonicContact OE2-NZ 2.7Å; K401-Q403 PolarHBondContact O-N 2.81Å; K401-T404 PolarHBondContact O-N 2.86Å; K401-T404 PolarHBondContact O-OG1 2.82Å; K401-N405 PolarHBondContact O-N 3Å; K401-H406 CarbonylContact C-O 3.48Å; K401-H406 VanDerWaalsContact CA-O 3.22Å; K401-H406 WeakPolarHBondContact CA-O 3.25Å; K401-H406 HydrophobicContact CB-CB 4.39Å; K401-H406 WeakPolarHBondContact CB-O 3.43Å; K401-H406 PolarHBondContact N-O 2.96Å; K401-H406 PolarHBondContact O-N 3.12Å; K401-H406 VanDerWaalsContact O-N 3.16Å; K401-T408 HydrophobicContact CD-CG2 3.7Å; K401-T408 HydrophobicContact CG-CG2 4.37Å; K401-D455 IonicContact NZ-OD1 3.22Å; K401-D455 IonicContact NZ-OD2 3.4Å; K401-D455 PolarHBondContact NZ-OD2 3.06Å
402L80.8Confident84.6Confident18 Ų1853.1 Ų53.19%0.09428%0.277CS..G310 helixtrans-59.7-33.1-173.5-60.9177.4000112.8V366 W376 I379 L400 T404 N405 L458V366-L402 HydrophobicContact CG1-CD2 4.04Å; W376-L402 HydrophobicContact CB-CD1 3.83Å; W376-L402 HydrophobicContact CD2-CB 4.15Å; W376-L402 HydrophobicContact CG-CB 4.18Å; W376-L402 HydrophobicContact CG-CD1 3.8Å; I379-L402 HydrophobicContact CB-CD1 4.42Å; I379-L402 HydrophobicContact CD1-CD1 4.41Å; I379-L402 HydrophobicContact CG2-CD1 4.36Å; L400-L402 HydrophobicContact CB-CG 4.16Å; L400-L402 PolarHBondContact O-N 3.1Å; L400-L402 VanDerWaalsContact O-N 3.11Å; L402-T404 PolarHBondContact O-N 3.43Å; L402-T404 VanDerWaalsContact O-N 3.15Å; L402-N405 PolarHBondContact O-N 2.94Å; L402-L458 HydrophobicContact CD2-CD1 3.82Å
403Q81.7Confident84.8Confident171 Ų17149.2 Ų49.280%0.79925%0.251SS*.G310 helixtrans-55.7-28.3173.2-67.5178.6-5.500114.2W376 K401W376-Q403 HydrophobicContact CE3-CG 4.37Å; W376-Q403 HydrophobicContact CH2-CG 4.32Å; W376-Q403 HydrophobicContact CZ3-CG 3.74Å; K401-Q403 PolarHBondContact O-N 2.81Å
404T82.7Confident84.3Confident88 Ų8851.3 Ų51.354%0.5427%0.265SS..G310 helixtrans-109.19.4175.561.50000112.7K401 L402 H406K401-T404 PolarHBondContact O-N 2.86Å; K401-T404 PolarHBondContact O-OG1 2.82Å; L402-T404 PolarHBondContact O-N 3.43Å; L402-T404 VanDerWaalsContact O-N 3.15Å; T404-H406 VanDerWaalsContact C-N 3.28Å; T404-H406 PolarHBondContact O-CE1 2.89Å; T404-H406 PolarHBondContact O-N 2.9Å; T404-H406 PolarHBondContact O-ND1 3.24Å
405N87Confident83.7Confident68 Ų6859.9 Ų59.936%0.36430%0.297SS..THydrogen-bonded Turntrans58.931.5-175.4-162.663.3000114.1K401 L402 D457 L458 G459K401-N405 PolarHBondContact O-N 3Å; L402-N405 PolarHBondContact O-N 2.94Å; N405-D457 PolarHBondContact ND2-OD1 3Å; N405-L458 WeakPolarHBondContact O-CB 3.17Å; N405-L458 PolarHBondContact O-N 3.14Å; N405-G459 PolarHBondContact ND2-N 2.81Å; N405-G459 VanDerWaalsContact ND2-N 3.15Å
406H88.6Confident82.8Confident28 Ų2857.5 Ų57.513%0.1328%0.28CS..EExtended strand (participates in β ladder)trans-123.1157.2178-69.156000111.8K401 T404 V456 D457 R468K401-H406 CarbonylContact C-O 3.48Å; K401-H406 VanDerWaalsContact CA-O 3.22Å; K401-H406 WeakPolarHBondContact CA-O 3.25Å; K401-H406 HydrophobicContact CB-CB 4.39Å; K401-H406 WeakPolarHBondContact CB-O 3.43Å; K401-H406 PolarHBondContact N-O 2.96Å; K401-H406 PolarHBondContact O-N 3.12Å; K401-H406 VanDerWaalsContact O-N 3.16Å; T404-H406 VanDerWaalsContact C-N 3.28Å; T404-H406 PolarHBondContact O-CE1 2.89Å; T404-H406 PolarHBondContact O-N 2.9Å; T404-H406 PolarHBondContact O-ND1 3.24Å; H406-V456 CarbonylContact C-O 3.52Å; H406-V456 VanDerWaalsContact CA-O 3.26Å; H406-V456 WeakPolarHBondContact CA-O 3.34Å; H406-D457 IonicContact CE1-OD2 3.71Å; H406-D457 PolarHBondContact CE1-OD2 3.32Å; H406-D457 IonicContact ND1-OD2 2.61Å; H406-D457 IonicContact NE2-OD2 2.9Å; H406-D457 PolarHBondContact NE2-OD2 3.22Å; H406-R468 PolarHBondContact NE2-NH1 3.29Å; H406-R468 PolarHBondContact NE2-NH2 3.14Å
407I90.8Very high81.5Confident3 Ų359.3 Ų59.32%0.01529%0.292CS..EExtended strand (participates in β ladder)trans-123.3137.5170.2-62.5-178.6000108.1V366 I397 L400 M409 D455 V456 L458V366-I407 HydrophobicContact CB-CD1 3.86Å; V366-I407 HydrophobicContact CG1-CD1 4.01Å; V366-I407 HydrophobicContact CG2-CD1 3.68Å; I397-I407 HydrophobicContact CB-CG2 4.42Å; I397-I407 HydrophobicContact CG1-CG2 4.14Å; I397-I407 HydrophobicContact CG2-CG2 3.72Å; L400-I407 HydrophobicContact CD2-CD1 3.94Å; L400-I407 HydrophobicContact CD2-CG1 3.94Å; L400-I407 HydrophobicContact CD2-CG2 4.22Å; I407-M409 HydrophobicContact CG2-CG 4.04Å; I407-D455 CarbonylContact O-C 3.48Å; I407-D455 WeakPolarHBondContact O-CA 3.48Å; I407-V456 PolarHBondContact N-O 2.87Å; I407-V456 PolarHBondContact O-N 2.88Å; I407-L458 HydrophobicContact CD1-CD1 4.27Å; I407-L458 HydrophobicContact CD1-CD2 3.84Å; I407-L458 HydrophobicContact CD1-CG 4.19Å; I407-L458 HydrophobicContact CG1-CD1 4.08Å; I407-L458 HydrophobicContact CG1-CD2 4.37Å; I407-L458 HydrophobicContact CG1-CG 4.17Å
408T89.9Confident80.3Confident1 Ų164.1 Ų64.11%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-90.7126.616778.70000110.2K398 E399 K401 V454K398-T408 PolarHBondContact N-O 2.95Å; E399-T408 HydrophobicContact CB-CG2 4.09Å; E399-T408 WeakPolarHBondContact CB-OG1 3.33Å; E399-T408 WeakPolarHBondContact CG-OG1 3.44Å; E399-T408 PolarHBondContact N-O 3.43Å; E399-T408 PolarHBondContact N-OG1 2.97Å; E399-T408 PolarHBondContact O-N 2.82Å; E399-T408 WeakPolarHBondContact OE2-CG2 3.4Å; E399-T408 PolarHBondContact OE2-OG1 3.42Å; K401-T408 HydrophobicContact CD-CG2 3.7Å; K401-T408 HydrophobicContact CG-CG2 4.37Å; T408-V454 WeakPolarHBondContact CA-O 3.3Å
409M88.4Confident78.8Confident2 Ų265.5 Ų65.51%0.0133%0.326CS..EExtended strand (participates in β ladder)trans-115.2138.8175.5-61.7-17373.800110V358 V359 A362 A396 I397 I407 L411 L453 V454 V456V358-M409 HydrophobicContact CG1-CE 4.14Å; V359-M409 HydrophobicContact CB-SD 4.43Å; V359-M409 HydrophobicContact CG1-SD 4.31Å; V359-M409 HydrophobicContact CG2-CE 4.45Å; V359-M409 HydrophobicContact CG2-SD 4.1Å; A362-M409 HydrophobicContact CB-CE 3.58Å; A362-M409 HydrophobicContact CB-SD 3.83Å; A396-M409 HydrophobicContact CB-CE 3.85Å; A396-M409 CarbonylContact O-C 3.58Å; A396-M409 WeakPolarHBondContact O-CA 3.35Å; I397-M409 HydrophobicContact CG1-CE 4.34Å; I397-M409 HydrophobicContact CG1-CG 4.42Å; I407-M409 HydrophobicContact CG2-CG 4.04Å; M409-L411 HydrophobicContact CB-CD2 3.92Å; M409-L411 HydrophobicContact CB-CG 4.25Å; M409-L411 HydrophobicContact CE-CD2 4.45Å; M409-L453 WeakPolarHBondContact O-CA 3.31Å; M409-V454 PolarHBondContact N-O 3.48Å; M409-V454 PolarHBondContact O-N 2.97Å; M409-V456 HydrophobicContact CG-CG2 4.23Å; M409-V456 HydrophobicContact SD-CG2 4.08Å
410L89.8Confident77.4Confident75 Ų7566.6 Ų66.639%0.39333%0.331SS..EExtended strand (participates in β ladder)trans-88.3105.5169.5-176.768.1000107.9A396 P451 L453A396-L410 PolarHBondContact O-N 2.87Å; L410-P451 HydrophobicContact CD1-CB 4.09Å; L410-L453 HydrophobicContact CB-CD2 4Å; L410-L453 HydrophobicContact CD1-CD2 3.76Å; L410-L453 HydrophobicContact CD1-CG 4.31Å; L410-L453 HydrophobicContact CG-CD2 4.49Å
411L85.4Confident75.8Confident2 Ų265.3 Ų65.31%0.0132%0.324CS..EExtended strand (participates in β ladder)trans-103127.7-178.2-57.7-175.6000110.2L351 V352 N355 V359 M409 P451 M452 V454L351-L411 HydrophobicContact CB-CB 4.16Å; L351-L411 HydrophobicContact CB-CD1 4.41Å; V352-L411 HydrophobicContact CG2-CD1 3.77Å; N355-L411 HydrophobicContact CB-CD1 4.36Å; N355-L411 HydrophobicContact CB-CD2 4.03Å; V359-L411 HydrophobicContact CG2-CD1 4.17Å; V359-L411 HydrophobicContact CG2-CD2 4.11Å; M409-L411 HydrophobicContact CB-CD2 3.92Å; M409-L411 HydrophobicContact CB-CG 4.25Å; M409-L411 HydrophobicContact CE-CD2 4.45Å; L411-P451 WeakPolarHBondContact O-CA 3.49Å; L411-M452 PolarHBondContact N-O 3.4Å; L411-M452 PolarHBondContact O-N 3.11Å; L411-M452 VanDerWaalsContact O-N 3.15Å; L411-V454 HydrophobicContact CB-CG2 4.39Å; L411-V454 HydrophobicContact CD1-CB 4.15Å; L411-V454 HydrophobicContact CD1-CG2 3.92Å; L411-V454 HydrophobicContact CG-CG2 4.18Å
412K82.6Confident74.4Confident92 Ų9269 Ų6940%0.434%0.342SS..PPolyproline II helixtrans-96.5163169.2-78.3-168.6175.3-157.10110N355 P414 D418 P451N355-K412 PolarHBondContact ND2-O 2.87Å; K412-P414 WeakPolarHBondContact O-CD 3.09Å; K412-D418 IonicContact NZ-OD1 3.95Å; K412-D418 PolarHBondContact NZ-OD1 2.89Å; K412-P451 HydrophobicContact CG-CB 4.09Å
413N80.4Confident73.2Confident17 Ų1773.8 Ų73.89%0.09136%0.364CS..PPolyproline II helixtrans-76.8118163.2-177.7-5.2000109.1M354 Y415 V416 N449M354-N413 HydrophobicContact SD-CB 4.28Å; N413-Y415 PolarHBondContact O-N 2.93Å; N413-Y415 PolarHBondContact OD1-N 3.25Å; N413-Y415 VanDerWaalsContact OD1-N 3.13Å; N413-V416 HydrophobicContact CB-CG2 4.07Å; N413-V416 WeakPolarHBondContact ND2-CG2 3.49Å; N413-N449 PolarHBondContact ND2-OD1 2.92Å; N413-N449 VanDerWaalsContact ND2-OD1 3.12Å
414P70.4Confident71.8Confident72 Ų7268 Ų6847%0.46834%0.337SS..THydrogen-bonded Turntrans-74.3-5.6-177.6-17.233000115.1M354 K412M354-P414 HydrophobicContact CB-CG 4.34Å; K412-P414 WeakPolarHBondContact O-CD 3.09Å
415Y69.3Low70.5Confident189 Ų18968.2 Ų68.274%0.74133%0.332SS*.THydrogen-bonded Turntrans-105.29.3-173-61.6-78000114.2N413N413-Y415 PolarHBondContact O-N 2.93Å; N413-Y415 PolarHBondContact OD1-N 3.25Å; N413-Y415 VanDerWaalsContact OD1-N 3.13Å
416V63.8Low68.9Low19 Ų1970.9 Ų70.912%0.11534%0.342CS..SBendtrans-110.7131.8177.9-178.90000107.4N413 E420 N449N413-V416 HydrophobicContact CB-CG2 4.07Å; N413-V416 WeakPolarHBondContact ND2-CG2 3.49Å; V416-E420 HydrophobicContact CG1-CB 3.81Å; V416-N449 HydrophobicContact CG2-CB 4.29Å; V416-N449 WeakPolarHBondContact CG2-OD1 3.39Å
417S56.8Low67.2Low50 Ų5075.3 Ų75.335%0.3536%0.361SS..  trans-70.2152.3175.566.50000110.6E419 E420 Q421S417-E419 PolarHBondContact O-N 3.08Å; S417-E420 PolarHBondContact O-N 3.41Å; S417-E420 WeakPolarHBondContact OG-CG 3.26Å; S417-E420 PolarHBondContact OG-N 2.75Å; S417-Q421 PolarHBondContact O-N 2.91Å; S417-Q421 VanDerWaalsContact O-N 3.09Å
418D59.1Low65.5Low109 Ų10977.6 Ų77.658%0.58337%0.373SS*.Hα-helixtrans-63.4-26.5176.4-67.6-65.3000111.6K412 Q421 E422K412-D418 IonicContact NZ-OD1 3.95Å; K412-D418 PolarHBondContact NZ-OD1 2.89Å; D418-Q421 WeakPolarHBondContact O-CB 3.48Å; D418-Q421 PolarHBondContact O-N 3.48Å; D418-E422 PolarHBondContact O-N 3.36Å
419E52.6Low63.8Low160 Ų16084.7 Ų84.775%0.74840%0.4SS*.Hα-helixtrans-64-46.6172.5-61.4178.8164.100112.7S417 Q421 E422 E423S417-E419 PolarHBondContact O-N 3.08Å; E419-Q421 PolarHBondContact O-N 2.73Å; E419-E422 PolarHBondContact O-N 3.32Å; E419-E423 PolarHBondContact O-N 3.15Å
420E54.9Low62Low114 Ų11489.7 Ų89.753%0.53343%0.43SS..Hα-helixtrans-64.2-30.5173.5-74.3176.3165.500111.8V416 S417 E424V416-E420 HydrophobicContact CG1-CB 3.81Å; S417-E420 PolarHBondContact O-N 3.41Å; S417-E420 WeakPolarHBondContact OG-CG 3.26Å; S417-E420 PolarHBondContact OG-N 2.75Å; E420-E424 PolarHBondContact O-N 3.33Å; E420-E424 VanDerWaalsContact O-N 3.1Å
421Q52.8Low60Low23 Ų2389.9 Ų89.911%0.10743%0.429CS..Hα-helixtrans-72.5-40.7-179.5-153.5160.5122.200112.3S417 D418 E419 E424 E425S417-Q421 PolarHBondContact O-N 2.91Å; S417-Q421 VanDerWaalsContact O-N 3.09Å; D418-Q421 WeakPolarHBondContact O-CB 3.48Å; D418-Q421 PolarHBondContact O-N 3.48Å; E419-Q421 PolarHBondContact O-N 2.73Å; Q421-E424 PolarHBondContact O-N 3.43Å; Q421-E425 PolarHBondContact O-N 3.09Å
422E54.5Low58.1Low148 Ų14896.3 Ų96.369%0.69246%0.459SS*.Hα-helixtrans-65.7-39.5172.4-70.2-167158.800111.6D418 E419 E424 E425 E426D418-E422 PolarHBondContact O-N 3.36Å; E419-E422 PolarHBondContact O-N 3.32Å; E422-E424 PolarHBondContact O-N 3.49Å; E422-E425 PolarHBondContact O-N 2.97Å; E422-E426 PolarHBondContact O-N 3.27Å
423E55Low56.2Low118 Ų118101.1 Ų101.155%0.55148%0.48SS*.Hα-helixtrans-61.9-38.1174.4-95.8-152.1-153.400113.4E419 K427E419-E423 PolarHBondContact O-N 3.15Å; E423-K427 WeakPolarHBondContact O-CD 3.31Å; E423-K427 WeakPolarHBondContact O-CE 3.3Å; E423-K427 WeakPolarHBondContact O-CG 3.46Å; E423-K427 PolarHBondContact O-N 3.33Å; E423-K427 IonicContact OE2-NZ 3.89Å; E423-K427 PolarHBondContact OE2-NZ 3.44Å
424E53.8Low54.3Low49 Ų49103.4 Ų103.423%0.22951%0.507CS..Hα-helixtrans-71-37.9173.3-73.7-157.6114.300112.3E420 Q421 E422 K427 I428 Q447 N449E420-E424 PolarHBondContact O-N 3.33Å; E420-E424 VanDerWaalsContact O-N 3.1Å; Q421-E424 PolarHBondContact O-N 3.43Å; E422-E424 PolarHBondContact O-N 3.49Å; E424-K427 PolarHBondContact O-N 3.12Å; E424-I428 WeakPolarHBondContact O-CD1 3.42Å; E424-I428 VanDerWaalsContact O-CG1 3.27Å; E424-I428 WeakPolarHBondContact O-CG1 3.41Å; E424-I428 PolarHBondContact O-N 3.4Å; E424-I428 VanDerWaalsContact O-N 3.15Å; E424-Q447 PolarHBondContact OE1-NE2 3.21Å; E424-N449 VanDerWaalsContact OE2-CB 3.31Å; E424-N449 WeakPolarHBondContact OE2-CB 3.48Å; E424-N449 PolarHBondContact OE2-ND2 3.21Å
425E54.5Low52.8Low94 Ų94106.9 Ų106.944%0.43952%0.515SS..Hα-helixtrans-66.7-41.4177-77.2-145.3177.400113.5Q421 E422 I428 R429Q421-E425 PolarHBondContact O-N 3.09Å; E422-E425 PolarHBondContact O-N 2.97Å; E425-I428 PolarHBondContact O-N 3.43Å; E425-R429 WeakPolarHBondContact O-CG 3.26Å; E425-R429 PolarHBondContact O-N 2.63Å; E425-R429 IonicContact OE2-NH2 3.91Å; E425-R429 PolarHBondContact OE2-NH2 2.79Å
426E53.4Low51.3Low123 Ų123108.2 Ų108.258%0.57553%0.525SS*.Hα-helixtrans-56.7-50.6173.5-85.3-90.6105.400111.1E422 I428 R429 V430E422-E426 PolarHBondContact O-N 3.27Å; E426-I428 VanDerWaalsContact C-N 3.27Å; E426-I428 PolarHBondContact O-N 2.9Å; E426-R429 PolarHBondContact O-N 2.86Å; E426-R429 VanDerWaalsContact O-N 3.1Å; E426-V430 PolarHBondContact O-N 3.11Å; E426-V430 VanDerWaalsContact O-N 3.14Å
427K54Low50Low121 Ų121114.5 Ų114.553%0.52656%0.558SS.*Hα-helixtrans-59.9-36.9180-69.3162.8-163.2159.20112E423 E424 E431E423-K427 WeakPolarHBondContact O-CD 3.31Å; E423-K427 WeakPolarHBondContact O-CE 3.3Å; E423-K427 WeakPolarHBondContact O-CG 3.46Å; E423-K427 PolarHBondContact O-N 3.33Å; E423-K427 IonicContact OE2-NZ 3.89Å; E423-K427 PolarHBondContact OE2-NZ 3.44Å; E424-K427 PolarHBondContact O-N 3.12Å; K427-E431 PolarHBondContact O-N 2.98Å
428I54.6Low49.4Very low52 Ų52121.3 Ų121.327%0.26758%0.581SS.*Hα-helixtrans-67.5-43.1175.3-69.1164.9000111.5E424 E425 E426 V430 E431 E432E424-I428 WeakPolarHBondContact O-CD1 3.42Å; E424-I428 VanDerWaalsContact O-CG1 3.27Å; E424-I428 WeakPolarHBondContact O-CG1 3.41Å; E424-I428 PolarHBondContact O-N 3.4Å; E424-I428 VanDerWaalsContact O-N 3.15Å; E425-I428 PolarHBondContact O-N 3.43Å; E426-I428 VanDerWaalsContact C-N 3.27Å; E426-I428 PolarHBondContact O-N 2.9Å; I428-V430 VanDerWaalsContact C-N 3.26Å; I428-V430 PolarHBondContact O-N 2.95Å; I428-E431 PolarHBondContact O-N 3.3Å; I428-E432 PolarHBondContact O-N 3.23Å
429R53Low48.6Very low150 Ų150123.7 Ų123.757%0.56659%0.594SS**Hα-helixtrans-63.1-29.7178.7-71.6173.8-172.8-175.87.8113.1E425 E426E425-R429 WeakPolarHBondContact O-CG 3.26Å; E425-R429 PolarHBondContact O-N 2.63Å; E425-R429 IonicContact OE2-NH2 3.91Å; E425-R429 PolarHBondContact OE2-NH2 2.79Å; E426-R429 PolarHBondContact O-N 2.86Å; E426-R429 VanDerWaalsContact O-N 3.1Å
430V51.3Low47.9Very low107 Ų107124.7 Ų124.765%0.64860%0.596SS**Hα-helixtrans-72-43.2174.8174.80000111.6E426 I428 E432E426-V430 PolarHBondContact O-N 3.11Å; E426-V430 VanDerWaalsContact O-N 3.14Å; I428-V430 VanDerWaalsContact C-N 3.26Å; I428-V430 PolarHBondContact O-N 2.95Å; V430-E432 PolarHBondContact O-N 3.22Å
431E47.8Very low47.1Very low79 Ų79122.7 Ų122.737%0.36961%0.605SS.*Hα-helixtrans-60.2-42.1179.5-92.6-123.4111.200113.7K427 I428 K433 G434 K435 R444K427-E431 PolarHBondContact O-N 2.98Å; I428-E431 PolarHBondContact O-N 3.3Å; E431-K433 VanDerWaalsContact C-N 3.32Å; E431-K433 PolarHBondContact O-N 3Å; E431-G434 PolarHBondContact O-N 2.9Å; E431-K435 IonicContact OE1-NZ 3.97Å; E431-K435 PolarHBondContact OE1-NZ 2.91Å; E431-R444 IonicContact OE2-CZ 3.07Å; E431-R444 IonicContact OE2-NE 2.83Å; E431-R444 PolarHBondContact OE2-NE 3.21Å; E431-R444 IonicContact OE2-NH2 3.59Å; E431-R444 PolarHBondContact OE2-NH2 2.95Å
432E46.1Very low46.4Very low136 Ų136128.9 Ų128.964%0.63663%0.634SS**Hα-helixtrans-69.7-27.3-171.7-63.7-155.3142.900113.7I428 V430 G434 R444I428-E432 PolarHBondContact O-N 3.23Å; V430-E432 PolarHBondContact O-N 3.22Å; E432-G434 VanDerWaalsContact C-N 3.28Å; E432-G434 PolarHBondContact O-N 2.96Å; E432-R444 IonicContact OE1-NH1 2.71Å
433K41.3Very low45.6Very low193 Ų193128.1 Ų128.184%0.83964%0.635SS**Hα-helixtrans-73.3-18.3176.3-69.7178.5-179.8172.70113.2E431E431-K433 VanDerWaalsContact C-N 3.32Å; E431-K433 PolarHBondContact O-N 3Å
434G41.6Very low45.1Very low65 Ų65129.5 Ų129.567%0.6764%0.635SS**THydrogen-bonded Turntrans-88.8-16.6-170.200000117E431 E432E431-G434 PolarHBondContact O-N 2.9Å; E432-G434 VanDerWaalsContact C-N 3.28Å; E432-G434 PolarHBondContact O-N 2.96Å
435K39Very low44.5Very low146 Ų146135.1 Ų135.164%0.63566%0.659SS**  trans-118.160.6-162.1-73.6170.5179.7165.70115.2E431 N437E431-K435 IonicContact OE1-NZ 3.97Å; E431-K435 PolarHBondContact OE1-NZ 2.91Å; K435-N437 PolarHBondContact O-N 3.24Å
436K37.3Very low44.3Very low216 Ų216134.8 Ų134.894%0.93966%0.66SS**  trans-75.759.7159.2-84.5-171.2177.3176.20112
437N37.7Very low44Very low152 Ų152134 Ų13481%0.81366%0.656SS**  trans-148.2130.9165.1-133.3-18.1000111.3K435K435-N437 PolarHBondContact O-N 3.24Å
438K43.6Very low43.9Very low193 Ų193130.9 Ų130.984%0.83966%0.658SS**  trans-82.3156.3-177.3-72.8-179.5176.9176.90110.9
439N41.4Very low44Very low159 Ų159130.4 Ų130.485%0.8566%0.656SS**  trans68.381.4178.6-58.7-8.7000116.1
440K38.7Very low44.8Very low181 Ų181129.7 Ų129.779%0.78766%0.657SS**  -150.4113.2126.5-116.2169.7-178176.90110Q442K440-Q442 PolarHBondContact O-N 3.46Å
441G37.8Very low46Very low71 Ų71126.6 Ų126.673%0.73264%0.639SS**  trans-70.5105160.900000107.6
442Q38Very low47.7Very low153 Ų153124.6 Ų124.672%0.71563%0.63SS**  trans-126137.4165.1-73-175.1-76.600106.7K440 R444K440-Q442 PolarHBondContact O-N 3.46Å; Q442-R444 PolarHBondContact O-N 2.92Å
443N38.2Very low49.8Very low133 Ų133121.4 Ų121.471%0.71162%0.617SS**  trans-61.593.7-176.6-62.57.5000110.4K445N443-K445 PolarHBondContact O-N 3.44Å
444R43.2Very low52.1Low146 Ų146112.2 Ų112.255%0.55158%0.577SS**  trans-63.286.3149.6-90.1-175.1165.1-175.8-7105.7E431 E432 Q442 L446E431-R444 IonicContact OE2-CZ 3.07Å; E431-R444 IonicContact OE2-NE 2.83Å; E431-R444 PolarHBondContact OE2-NE 3.21Å; E431-R444 IonicContact OE2-NH2 3.59Å; E431-R444 PolarHBondContact OE2-NH2 2.95Å; E432-R444 IonicContact OE1-NH1 2.71Å; Q442-R444 PolarHBondContact O-N 2.92Å; R444-L446 PolarHBondContact O-N 2.94Å
445K42.8Very low54.5Low167 Ų167111.2 Ų111.273%0.72656%0.556SS**  trans-45.8128.1165.8-73.4-177.9176-179.90106.8N443 Q447N443-K445 PolarHBondContact O-N 3.44Å; K445-Q447 PolarHBondContact O-N 3.49Å
446L48.9Very low56.9Low87 Ų87104.4 Ų104.446%0.45553%0.527SS..  trans-61.2105.1171.3-76.2157.3000107.7E343 V344 R444 G448E343-L446 HydrophobicContact CB-CD1 4.04Å; V344-L446 HydrophobicContact CG2-CD1 4.04Å; R444-L446 PolarHBondContact O-N 2.94Å; L446-G448 PolarHBondContact O-N 3.19Å
447Q48.3Very low59.5Low108 Ų10895.3 Ų95.351%0.50549%0.488SS..  trans-59.8120.6173.1-78161.1-86.900107.7E424 K445 N449 K450E424-Q447 PolarHBondContact OE1-NE2 3.21Å; K445-Q447 PolarHBondContact O-N 3.49Å; Q447-N449 PolarHBondContact O-N 3.16Å; Q447-K450 PolarHBondContact O-N 2.81Å
448G51.5Low61.9Low54 Ų5488.3 Ų88.356%0.55745%0.451SS*.THydrogen-bonded Turntrans-65.2-4.2-167.500000115.5L446L446-G448 PolarHBondContact O-N 3.19Å
449N56.9Low64Low43 Ų4381.8 Ų81.823%0.2344%0.438CS..THydrogen-bonded Turntrans-90.4-15.5-178.1-62.5-17.7000113.5N413 V416 E424 Q447N413-N449 PolarHBondContact ND2-OD1 2.92Å; N413-N449 VanDerWaalsContact ND2-OD1 3.12Å; V416-N449 HydrophobicContact CG2-CB 4.29Å; V416-N449 WeakPolarHBondContact CG2-OD1 3.39Å; E424-N449 VanDerWaalsContact OE2-CB 3.31Å; E424-N449 WeakPolarHBondContact OE2-CB 3.48Å; E424-N449 PolarHBondContact OE2-ND2 3.21Å; Q447-N449 PolarHBondContact O-N 3.16Å
450K68.6Low66.3Low134 Ų13477 Ų7758%0.58341%0.413SS*.SBendtrans-68.5127.2-175.5-172.4164-171.5158.10111Q447 M452Q447-K450 PolarHBondContact O-N 2.81Å; K450-M452 PolarHBondContact O-N 3.47Å
451P77.9Confident68.9Low42 Ų4270.9 Ų70.927%0.27339%0.393SS..  trans-60.1134.7177.221.6-32.8000112L410 L411 K412L410-P451 HydrophobicContact CD1-CB 4.09Å; L411-P451 WeakPolarHBondContact O-CA 3.49Å; K412-P451 HydrophobicContact CG-CB 4.09Å
452M83.9Confident71.3Confident38 Ų3867.6 Ų67.619%0.18736%0.358CS..EExtended strand (participates in β ladder)trans-123.1149.5-178.8-62.8-173.270.200112V344 A347 K348 L351 L411 K450 V454V344-M452 HydrophobicContact CG1-CE 4.15Å; A347-M452 HydrophobicContact CB-SD 3.71Å; K348-M452 HydrophobicContact CG-CE 4.26Å; L351-M452 HydrophobicContact CD1-CB 3.7Å; L351-M452 HydrophobicContact CD1-CG 3.8Å; L351-M452 HydrophobicContact CD1-SD 4.01Å; L411-M452 PolarHBondContact N-O 3.4Å; L411-M452 PolarHBondContact O-N 3.11Å; L411-M452 VanDerWaalsContact O-N 3.15Å; K450-M452 PolarHBondContact O-N 3.47Å; M452-V454 HydrophobicContact CB-CG2 4.46Å
453L88.3Confident73.8Confident69 Ų6967 Ų6736%0.36135%0.35SS..EExtended strand (participates in β ladder)trans-83.6122.9167.3-64.1173.7000109.7K348 K398 M409 L410K348-L453 WeakPolarHBondContact CE-O 3.49Å; K348-L453 PolarHBondContact NZ-O 2.83Å; K398-L453 HydrophobicContact CB-CD2 4.27Å; K398-L453 HydrophobicContact CD-CD1 4.4Å; K398-L453 HydrophobicContact CD-CD2 3.61Å; M409-L453 WeakPolarHBondContact O-CA 3.31Å; L410-L453 HydrophobicContact CB-CD2 4Å; L410-L453 HydrophobicContact CD1-CD2 3.76Å; L410-L453 HydrophobicContact CD1-CG 4.31Å; L410-L453 HydrophobicContact CG-CD2 4.49Å
454V90.5Very high76.4Confident0 Ų062.1 Ų62.10%033%0.329CS..EExtended strand (participates in β ladder)trans-123.9131.4-176.4-165.80000109.3K348 V352 T408 M409 L411 M452 Y469K348-V454 HydrophobicContact CB-CG1 4.12Å; K348-V454 HydrophobicContact CD-CG1 4.39Å; K348-V454 HydrophobicContact CG-CG1 4.24Å; K348-V454 HydrophobicContact CG-CG2 4.14Å; V352-V454 HydrophobicContact CG2-CG1 3.77Å; T408-V454 WeakPolarHBondContact CA-O 3.3Å; M409-V454 PolarHBondContact N-O 3.48Å; M409-V454 PolarHBondContact O-N 2.97Å; L411-V454 HydrophobicContact CB-CG2 4.39Å; L411-V454 HydrophobicContact CD1-CB 4.15Å; L411-V454 HydrophobicContact CD1-CG2 3.92Å; L411-V454 HydrophobicContact CG-CG2 4.18Å; M452-V454 HydrophobicContact CB-CG2 4.46Å; V454-Y469 HydrophobicContact CG1-CD2 4.35Å; V454-Y469 HydrophobicContact CG1-CE2 3.44Å; V454-Y469 VanDerWaalsContact CG1-CE2 3.44Å
455D91.1Very high78.7Confident44 Ų4455.2 Ų55.224%0.23530%0.303CS..EExtended strand (participates in β ladder)trans-96109-177.5-76.549000108.7K401 I407 Y469K401-D455 IonicContact NZ-OD1 3.22Å; K401-D455 IonicContact NZ-OD2 3.4Å; K401-D455 PolarHBondContact NZ-OD2 3.06Å; I407-D455 CarbonylContact O-C 3.48Å; I407-D455 WeakPolarHBondContact O-CA 3.48Å; D455-Y469 PolarHBondContact N-OH 3.45Å; D455-Y469 VanDerWaalsContact N-OH 3.13Å; D455-Y469 PolarHBondContact O-OH 3.3Å
456V91.1Very high81Confident2 Ų247.3 Ų47.31%0.01227%0.268CS..EExtended strand (participates in β ladder)trans-99.1128.7-176.3-1710000109.6V359 L363 H406 I407 M409 N465V359-V456 HydrophobicContact CG1-CG1 3.67Å; V359-V456 HydrophobicContact CG1-CG2 4.11Å; L363-V456 HydrophobicContact CD1-CG1 4.12Å; L363-V456 HydrophobicContact CD2-CG1 3.89Å; L363-V456 HydrophobicContact CG-CG1 4.15Å; H406-V456 CarbonylContact C-O 3.52Å; H406-V456 VanDerWaalsContact CA-O 3.26Å; H406-V456 WeakPolarHBondContact CA-O 3.34Å; I407-V456 PolarHBondContact N-O 2.87Å; I407-V456 PolarHBondContact O-N 2.88Å; M409-V456 HydrophobicContact CG-CG2 4.23Å; M409-V456 HydrophobicContact SD-CG2 4.08Å; V456-N465 HydrophobicContact CG1-CB 4.17Å; V456-N465 WeakPolarHBondContact CG1-ND2 3.48Å
457D91.5Very high83.1Confident25 Ų2548.8 Ų48.813%0.13427%0.271CS..EExtended strand (participates in β ladder)trans-83.9125.8179.2-164.9-44.6000111.3N405 H406 G459 L460 N465 R468N405-D457 PolarHBondContact ND2-OD1 3Å; H406-D457 IonicContact CE1-OD2 3.71Å; H406-D457 PolarHBondContact CE1-OD2 3.32Å; H406-D457 IonicContact ND1-OD2 2.61Å; H406-D457 IonicContact NE2-OD2 2.9Å; H406-D457 PolarHBondContact NE2-OD2 3.22Å; D457-G459 PolarHBondContact O-N 2.71Å; D457-G459 PolarHBondContact OD1-N 3.2Å; D457-L460 HydrophobicContact CB-CB 4.4Å; D457-L460 HydrophobicContact CB-CD1 4.12Å; D457-L460 HydrophobicContact CB-CG 4.24Å; D457-L460 PolarHBondContact O-N 2.96Å; D457-N465 VanDerWaalsContact CB-OD1 3.29Å; D457-N465 WeakPolarHBondContact CB-OD1 3.21Å; D457-N465 PolarHBondContact N-OD1 3.41Å; D457-N465 PolarHBondContact O-ND2 3.07Å; D457-R468 VanDerWaalsContact CB-NH1 3.32Å; D457-R468 IonicContact OD2-CZ 2.86Å; D457-R468 IonicContact OD2-NH1 2.79Å; D457-R468 PolarHBondContact OD2-NH1 3.5Å
458L87.9Confident85.2Confident6 Ų647.6 Ų47.63%0.03126%0.262CS..THydrogen-bonded Turntrans-65.4-22.1179.9-79.8161.8000113.2L363 V366 R367 L370 L402 N405 I407 L460L363-L458 HydrophobicContact CD2-CD2 3.97Å; L363-L458 HydrophobicContact CD2-CG 4.49Å; V366-L458 HydrophobicContact CB-CD2 3.97Å; V366-L458 HydrophobicContact CG1-CD1 4.09Å; V366-L458 HydrophobicContact CG1-CD2 3.93Å; R367-L458 HydrophobicContact CG-CD2 4.47Å; R367-L458 PolarHBondContact NE-O 2.93Å; R367-L458 PolarHBondContact NH2-O 3.43Å; L370-L458 HydrophobicContact CD1-CD1 4.08Å; L402-L458 HydrophobicContact CD2-CD1 3.82Å; N405-L458 WeakPolarHBondContact O-CB 3.17Å; N405-L458 PolarHBondContact O-N 3.14Å; I407-L458 HydrophobicContact CD1-CD1 4.27Å; I407-L458 HydrophobicContact CD1-CD2 3.84Å; I407-L458 HydrophobicContact CD1-CG 4.19Å; I407-L458 HydrophobicContact CG1-CD1 4.08Å; I407-L458 HydrophobicContact CG1-CD2 4.37Å; I407-L458 HydrophobicContact CG1-CG 4.17Å; L458-L460 VanDerWaalsContact C-N 3.3Å; L458-L460 PolarHBondContact O-N 3.32Å
459G86.8Confident87.1Confident55 Ų5545.9 Ų45.957%0.56724%0.239SC*.THydrogen-bonded Turntrans-78.1-7.6176.200000114.7N405 D457N405-G459 PolarHBondContact ND2-N 2.81Å; N405-G459 VanDerWaalsContact ND2-N 3.15Å; D457-G459 PolarHBondContact O-N 2.71Å; D457-G459 PolarHBondContact OD1-N 3.2Å
460L90.4Very high88.8Confident60 Ų6046 Ų4631%0.31424%0.237SC..SBendtrans-125.8146.1-172.4-61.1179.8000111.5L363 R367 D457 L458 A464 N465L363-L460 WeakPolarHBondContact CD1-O 3.46Å; R367-L460 PolarHBondContact NH2-O 3.17Å; D457-L460 HydrophobicContact CB-CB 4.4Å; D457-L460 HydrophobicContact CB-CD1 4.12Å; D457-L460 HydrophobicContact CB-CG 4.24Å; D457-L460 PolarHBondContact O-N 2.96Å; L458-L460 VanDerWaalsContact C-N 3.3Å; L458-L460 PolarHBondContact O-N 3.32Å; L460-A464 HydrophobicContact CB-CB 3.97Å; L460-A464 HydrophobicContact CD2-CB 4.42Å; L460-N465 WeakPolarHBondContact CB-ND2 3.45Å; L460-N465 PolarHBondContact O-ND2 3.48Å
461S92.4Very high90Very high52 Ų5243 Ų4336%0.36423%0.226SC..  trans-64162.8169.661.60000111.4E360 Y463 A464 N465E360-S461 WeakPolarHBondContact OE2-CA 3.47Å; E360-S461 VanDerWaalsContact OE2-CB 3.31Å; E360-S461 WeakPolarHBondContact OE2-CB 3.38Å; S461-Y463 PolarHBondContact O-N 3.37Å; S461-A464 PolarHBondContact O-N 2.95Å; S461-A464 WeakPolarHBondContact OG-CB 3.04Å; S461-A464 PolarHBondContact OG-N 2.7Å; S461-N465 PolarHBondContact O-N 2.97Å; S461-N465 PolarHBondContact O-ND2 3.26Å; S461-N465 VanDerWaalsContact O-ND2 3.09Å
462A89.1Confident90.7Very high1 Ų144.5 Ų44.51%0.00823%0.23CC..Hα-helixtrans-54.4-42.7176.900000111.4V352 L356 V359 E360 L363 N465 A466V352-A462 WeakPolarHBondContact CG1-O 3.33Å; L356-A462 HydrophobicContact CD2-CB 3.67Å; V359-A462 HydrophobicContact CB-CB 3.86Å; V359-A462 HydrophobicContact CG1-CB 3.65Å; E360-A462 HydrophobicContact CB-CB 4.16Å; E360-A462 WeakPolarHBondContact OE2-CB 3.35Å; E360-A462 PolarHBondContact OE2-N 3.18Å; L363-A462 HydrophobicContact CD1-CB 4.35Å; A462-N465 WeakPolarHBondContact O-CB 3.31Å; A462-N465 PolarHBondContact O-N 2.7Å; A462-A466 PolarHBondContact O-N 3.38Å
463Y91.1Very high91.1Very high140 Ų14045 Ų4555%0.54923%0.231SC..Hα-helixtrans-68.6-35.3176.7-162.6-104.3000113.1E353 L356 S461 N465 A466 K467E353-Y463 WeakPolarHBondContact OE1-CE2 3.42Å; L356-Y463 HydrophobicContact CD1-CD2 4.26Å; L356-Y463 HydrophobicContact CD2-CD2 4.36Å; S461-Y463 PolarHBondContact O-N 3.37Å; Y463-N465 VanDerWaalsContact C-N 3.34Å; Y463-A466 PolarHBondContact O-N 2.92Å; Y463-K467 WeakPolarHBondContact O-CB 3.48Å; Y463-K467 PolarHBondContact O-N 3.21Å
464A91.4Very high91.3Very high32 Ų3247.9 Ų47.926%0.26424%0.237SC..Hα-helixtrans-69.8-31.6173.400000112.4L460 S461 R468L460-A464 HydrophobicContact CB-CB 3.97Å; L460-A464 HydrophobicContact CD2-CB 4.42Å; S461-A464 PolarHBondContact O-N 2.95Å; S461-A464 WeakPolarHBondContact OG-CB 3.04Å; S461-A464 PolarHBondContact OG-N 2.7Å; A464-R468 PolarHBondContact O-N 3.19Å
465N91.9Very high91.3Very high1 Ų150 Ų501%0.00525%0.251CS..Hα-helixtrans-68.5-45.6171.5-81.9-62.8000112.1V456 D457 L460 S461 A462 Y463 K467 R468 Y469V456-N465 HydrophobicContact CG1-CB 4.17Å; V456-N465 WeakPolarHBondContact CG1-ND2 3.48Å; D457-N465 VanDerWaalsContact CB-OD1 3.29Å; D457-N465 WeakPolarHBondContact CB-OD1 3.21Å; D457-N465 PolarHBondContact N-OD1 3.41Å; D457-N465 PolarHBondContact O-ND2 3.07Å; L460-N465 WeakPolarHBondContact CB-ND2 3.45Å; L460-N465 PolarHBondContact O-ND2 3.48Å; S461-N465 PolarHBondContact O-N 2.97Å; S461-N465 PolarHBondContact O-ND2 3.26Å; S461-N465 VanDerWaalsContact O-ND2 3.09Å; A462-N465 WeakPolarHBondContact O-CB 3.31Å; A462-N465 PolarHBondContact O-N 2.7Å; Y463-N465 VanDerWaalsContact C-N 3.34Å; N465-K467 VanDerWaalsContact C-N 3.34Å; N465-K467 PolarHBondContact O-N 3.42Å; N465-R468 WeakPolarHBondContact O-CB 3.27Å; N465-R468 PolarHBondContact O-N 2.79Å; N465-Y469 WeakPolarHBondContact O-CD2 3.21Å; N465-Y469 PolarHBondContact O-N 2.96Å
466A91.3Very high91.3Very high0 Ų048.1 Ų48.10%024%0.242CC..Hα-helixtrans-56.9-47.2171.400000111.6V352 E353 A462 Y463 R468 Y469 Y470V352-A466 HydrophobicContact CB-CB 4.04Å; V352-A466 HydrophobicContact CG1-CB 3.85Å; E353-A466 HydrophobicContact CG-CB 3.78Å; A462-A466 PolarHBondContact O-N 3.38Å; Y463-A466 PolarHBondContact O-N 2.92Å; A466-R468 VanDerWaalsContact C-N 3.31Å; A466-R468 PolarHBondContact O-N 2.99Å; A466-Y469 WeakPolarHBondContact O-CB 3.32Å; A466-Y469 PolarHBondContact O-N 3.44Å; A466-Y469 VanDerWaalsContact O-N 3.1Å; A466-Y470 VanDerWaalsContact O-CD2 3.31Å; A466-Y470 WeakPolarHBondContact O-CD2 3.43Å; A466-Y470 PolarHBondContact O-N 2.92Å
467K92.8Very high91.3Very high118 Ų11852.3 Ų52.351%0.51326%0.262SS..Hα-helixtrans-58.4-38.9176.3-176.5177.5176.9-179.20113Y463 N465 Y469 Y470 D471Y463-K467 WeakPolarHBondContact O-CB 3.48Å; Y463-K467 PolarHBondContact O-N 3.21Å; N465-K467 VanDerWaalsContact C-N 3.34Å; N465-K467 PolarHBondContact O-N 3.42Å; K467-Y469 VanDerWaalsContact C-N 3.32Å; K467-Y469 PolarHBondContact O-N 2.89Å; K467-Y470 PolarHBondContact O-N 3.07Å; K467-D471 PolarHBondContact O-N 2.92Å
468R92.7Very high91.4Very high83 Ų8357.8 Ų57.831%0.31329%0.285SS..Hα-helixtrans-59.4-41.7175.2176.6176170.2-176.3-9.7111.6H406 D457 A464 N465 A466 D471 H472H406-R468 PolarHBondContact NE2-NH1 3.29Å; H406-R468 PolarHBondContact NE2-NH2 3.14Å; D457-R468 VanDerWaalsContact CB-NH1 3.32Å; D457-R468 IonicContact OD2-CZ 2.86Å; D457-R468 IonicContact OD2-NH1 2.79Å; D457-R468 PolarHBondContact OD2-NH1 3.5Å; A464-R468 PolarHBondContact O-N 3.19Å; N465-R468 WeakPolarHBondContact O-CB 3.27Å; N465-R468 PolarHBondContact O-N 2.79Å; A466-R468 VanDerWaalsContact C-N 3.31Å; A466-R468 PolarHBondContact O-N 2.99Å; R468-D471 PolarHBondContact O-N 3.05Å; R468-H472 WeakPolarHBondContact O-CB 3.31Å; R468-H472 PolarHBondContact O-CD2 3.35Å; R468-H472 VanDerWaalsContact O-CG 3.27Å; R468-H472 PolarHBondContact O-N 3.1Å
469Y92.4Very high91.6Very high19 Ų1962.8 Ų62.88%0.07531%0.306CS..Hα-helixtrans-65.6-40.2173.4-76.1-63.4000112.9K348 V454 D455 N465 A466 K467 D471 H472 K473K348-Y469 HydrophobicContact CB-CD1 3.92Å; K348-Y469 HydrophobicContact CB-CD2 4.16Å; K348-Y469 HydrophobicContact CB-CE1 4.06Å; K348-Y469 HydrophobicContact CB-CE2 4.26Å; K348-Y469 HydrophobicContact CB-CG 3.99Å; K348-Y469 HydrophobicContact CD-CD1 4.2Å; K348-Y469 HydrophobicContact CD-CE1 3.62Å; K348-Y469 HydrophobicContact CG-CE1 4.48Å; V454-Y469 HydrophobicContact CG1-CD2 4.35Å; V454-Y469 HydrophobicContact CG1-CE2 3.44Å; V454-Y469 VanDerWaalsContact CG1-CE2 3.44Å; D455-Y469 PolarHBondContact N-OH 3.45Å; D455-Y469 VanDerWaalsContact N-OH 3.13Å; D455-Y469 PolarHBondContact O-OH 3.3Å; N465-Y469 WeakPolarHBondContact O-CD2 3.21Å; N465-Y469 PolarHBondContact O-N 2.96Å; A466-Y469 WeakPolarHBondContact O-CB 3.32Å; A466-Y469 PolarHBondContact O-N 3.44Å; A466-Y469 VanDerWaalsContact O-N 3.1Å; K467-Y469 VanDerWaalsContact C-N 3.32Å; K467-Y469 PolarHBondContact O-N 2.89Å; Y469-D471 PolarHBondContact O-N 3.19Å; Y469-H472 WeakPolarHBondContact O-CB 3.43Å; Y469-H472 PolarHBondContact O-N 3.16Å; Y469-K473 WeakPolarHBondContact O-CB 3.45Å; Y469-K473 PolarHBondContact O-N 2.98Å
470Y92.3Very high91.8Very high46 Ų4662 Ų6218%0.1829%0.287CS..Hα-helixtrans-67.2-33.9173.8-67.6-55.7000114E350 E353 A466 K467 K473 R474E350-Y470 HydrophobicContact CG-CE1 4.42Å; E350-Y470 WeakPolarHBondContact CG-OH 3.29Å; E350-Y470 PolarHBondContact N-OH 3.24Å; E353-Y470 HydrophobicContact CG-CE2 4.28Å; E353-Y470 VanDerWaalsContact OE2-CE2 3.31Å; E353-Y470 WeakPolarHBondContact OE2-CE2 3.24Å; E353-Y470 PolarHBondContact OE2-OH 2.98Å; A466-Y470 VanDerWaalsContact O-CD2 3.31Å; A466-Y470 WeakPolarHBondContact O-CD2 3.43Å; A466-Y470 PolarHBondContact O-N 2.92Å; K467-Y470 PolarHBondContact O-N 3.07Å; Y470-K473 HydrophobicContact CD1-CD 4.49Å; Y470-K473 WeakPolarHBondContact O-CB 3.41Å; Y470-K473 PolarHBondContact O-N 3.49Å; Y470-R474 WeakPolarHBondContact O-CB 3.36Å; Y470-R474 WeakPolarHBondContact O-CD 3.27Å; Y470-R474 VanDerWaalsContact O-CG 3.26Å; Y470-R474 WeakPolarHBondContact O-CG 3.33Å; Y470-R474 PolarHBondContact O-N 3.02Å
471D93.2Very high91.8Very high69 Ų6964.1 Ų64.137%0.36930%0.296SS..Hα-helixtrans-75.8-28.9173.8-75-30.5000111.9K467 R468 Y469 R474 S475K467-D471 PolarHBondContact O-N 2.92Å; R468-D471 PolarHBondContact O-N 3.05Å; Y469-D471 PolarHBondContact O-N 3.19Å; D471-R474 WeakPolarHBondContact OD1-CD 3.25Å; D471-R474 IonicContact OD1-CZ 3.7Å; D471-R474 IonicContact OD1-NE 2.63Å; D471-R474 IonicContact OD1-NH1 2.72Å; D471-R474 PolarHBondContact OD1-NH1 3.35Å; D471-S475 WeakPolarHBondContact O-CB 3.34Å; D471-S475 PolarHBondContact O-N 2.81Å
472H91.6Very high91.7Very high74 Ų7468.6 Ų68.634%0.34331%0.309SS..Hα-helixtrans-63-49.5165.3-72.9-169.3000111.6D345 R468 Y469 R474 S475 A476D345-H472 HydrophobicContact CB-CB 4.46Å; D345-H472 WeakPolarHBondContact OD2-CB 3.39Å; R468-H472 WeakPolarHBondContact O-CB 3.31Å; R468-H472 PolarHBondContact O-CD2 3.35Å; R468-H472 VanDerWaalsContact O-CG 3.27Å; R468-H472 PolarHBondContact O-N 3.1Å; Y469-H472 WeakPolarHBondContact O-CB 3.43Å; Y469-H472 PolarHBondContact O-N 3.16Å; H472-R474 PolarHBondContact O-N 2.77Å; H472-S475 CarbonylContact O-C 3.51Å; H472-S475 VanDerWaalsContact O-CA 3.3Å; H472-S475 WeakPolarHBondContact O-CA 3.41Å; H472-S475 VanDerWaalsContact O-CB 3.23Å; H472-S475 WeakPolarHBondContact O-CB 3.45Å; H472-S475 PolarHBondContact O-N 3.36Å; H472-S475 PolarHBondContact O-OG 3.19Å; H472-A476 PolarHBondContact O-N 2.83Å
473K93.6Very high91.7Very high49 Ų4970.1 Ų70.121%0.21332%0.318CS..Hα-helixtrans-51.7-51.8173.6-178-157.7174.5-176.20111.4Q342 D345 R346 Y469 Y470 S475 A476 E477Q342-K473 HydrophobicContact CG-CD 4.5Å; Q342-K473 HydrophobicContact CG-CG 3.52Å; D345-K473 HydrophobicContact CB-CB 4.34Å; R346-K473 HydrophobicContact CB-CD 4.07Å; R346-K473 HydrophobicContact CB-CG 4.48Å; R346-K473 HydrophobicContact CG-CD 4.4Å; Y469-K473 WeakPolarHBondContact O-CB 3.45Å; Y469-K473 PolarHBondContact O-N 2.98Å; Y470-K473 HydrophobicContact CD1-CD 4.49Å; Y470-K473 WeakPolarHBondContact O-CB 3.41Å; Y470-K473 PolarHBondContact O-N 3.49Å; K473-S475 PolarHBondContact O-N 3.37Å; K473-A476 WeakPolarHBondContact O-CB 3.12Å; K473-A476 PolarHBondContact O-N 2.57Å; K473-E477 WeakPolarHBondContact O-CB 3.32Å; K473-E477 PolarHBondContact O-N 2.8Å
474R92.8Very high91.7Very high130 Ų13067.2 Ų67.249%0.49131%0.311SS..Hα-helixtrans-60.2-28.3174.6-73.1163.2169.7169.5-0.1112.9Y470 D471 H472 K478Y470-R474 WeakPolarHBondContact O-CB 3.36Å; Y470-R474 WeakPolarHBondContact O-CD 3.27Å; Y470-R474 VanDerWaalsContact O-CG 3.26Å; Y470-R474 WeakPolarHBondContact O-CG 3.33Å; Y470-R474 PolarHBondContact O-N 3.02Å; D471-R474 WeakPolarHBondContact OD1-CD 3.25Å; D471-R474 IonicContact OD1-CZ 3.7Å; D471-R474 IonicContact OD1-NE 2.63Å; D471-R474 IonicContact OD1-NH1 2.72Å; D471-R474 PolarHBondContact OD1-NH1 3.35Å; H472-R474 PolarHBondContact O-N 2.77Å; R474-K478 WeakPolarHBondContact O-CB 3.45Å; R474-K478 WeakPolarHBondContact O-CD 3.35Å; R474-K478 WeakPolarHBondContact O-CG 3.31Å; R474-K478 PolarHBondContact O-N 2.84Å
475S90.6Very high91.6Very high43 Ų4370 Ų7030%0.30132%0.319SS..Hα-helixtrans-75.1-36.7173.395.60000112.3D471 H472 K473 K479D471-S475 WeakPolarHBondContact O-CB 3.34Å; D471-S475 PolarHBondContact O-N 2.81Å; H472-S475 CarbonylContact O-C 3.51Å; H472-S475 VanDerWaalsContact O-CA 3.3Å; H472-S475 WeakPolarHBondContact O-CA 3.41Å; H472-S475 VanDerWaalsContact O-CB 3.23Å; H472-S475 WeakPolarHBondContact O-CB 3.45Å; H472-S475 PolarHBondContact O-N 3.36Å; H472-S475 PolarHBondContact O-OG 3.19Å; K473-S475 PolarHBondContact O-N 3.37Å; S475-K479 VanDerWaalsContact O-CD 3.28Å; S475-K479 WeakPolarHBondContact O-CD 3.48Å; S475-K479 WeakPolarHBondContact O-CG 3.48Å; S475-K479 PolarHBondContact O-N 3.12Å; S475-K479 PolarHBondContact OG-NZ 3.5Å
476A90.4Very high91.4Very high5 Ų572.5 Ų72.54%0.04134%0.339CS..Hα-helixtrans-66.5-51176.200000110.3Q342 H472 K473 K478 K479 E480Q342-A476 HydrophobicContact CB-CB 4.21Å; H472-A476 PolarHBondContact O-N 2.83Å; K473-A476 WeakPolarHBondContact O-CB 3.12Å; K473-A476 PolarHBondContact O-N 2.57Å; A476-K478 VanDerWaalsContact C-N 3.32Å; A476-K478 PolarHBondContact O-N 3.42Å; A476-K479 CarbonylContact O-C 3.1Å; A476-K479 WeakPolarHBondContact O-CA 3.48Å; A476-K479 WeakPolarHBondContact O-CB 3.43Å; A476-K479 PolarHBondContact O-N 3.4Å; A476-E480 PolarHBondContact O-N 2.78Å
477E91.4Very high91.2Very high91 Ų9173.1 Ų73.143%0.42534%0.344SS..Hα-helixtrans-52-46.2172.9-171.1176.2-176.100112.3K473 K479 E480 Q481K473-E477 WeakPolarHBondContact O-CB 3.32Å; K473-E477 PolarHBondContact O-N 2.8Å; E477-K479 VanDerWaalsContact C-N 3.31Å; E477-K479 PolarHBondContact O-N 2.85Å; E477-E480 PolarHBondContact O-N 3.21Å; E477-Q481 PolarHBondContact O-N 2.85Å
478K93.3Very high91Very high140 Ų14069.1 Ų69.161%0.60934%0.336SS*.Hα-helixtrans-71.6-18.6175.3-73.6172.1-175.9172.80114.4R474 A476 K482R474-K478 WeakPolarHBondContact O-CB 3.45Å; R474-K478 WeakPolarHBondContact O-CD 3.35Å; R474-K478 WeakPolarHBondContact O-CG 3.31Å; R474-K478 PolarHBondContact O-N 2.84Å; A476-K478 VanDerWaalsContact C-N 3.32Å; A476-K478 PolarHBondContact O-N 3.42Å; K478-K482 VanDerWaalsContact O-CD 3.27Å; K478-K482 WeakPolarHBondContact O-CD 3.3Å; K478-K482 VanDerWaalsContact O-CG 3.23Å; K478-K482 WeakPolarHBondContact O-CG 3.24Å
479K91.9Very high90.7Very high111 Ų11171.9 Ų71.948%0.48335%0.351SS..Hα-helixtrans-82.5-40.4169.5-70.5155.4-172.5156.10110.2L338 S475 A476 E477 K482 T483L338-K479 HydrophobicContact CD1-CB 4.27Å; L338-K479 HydrophobicContact CD2-CB 4.05Å; L338-K479 HydrophobicContact CD2-CD 4.33Å; S475-K479 VanDerWaalsContact O-CD 3.28Å; S475-K479 WeakPolarHBondContact O-CD 3.48Å; S475-K479 WeakPolarHBondContact O-CG 3.48Å; S475-K479 PolarHBondContact O-N 3.12Å; S475-K479 PolarHBondContact OG-NZ 3.5Å; A476-K479 CarbonylContact O-C 3.1Å; A476-K479 WeakPolarHBondContact O-CA 3.48Å; A476-K479 WeakPolarHBondContact O-CB 3.43Å; A476-K479 PolarHBondContact O-N 3.4Å; E477-K479 VanDerWaalsContact C-N 3.31Å; E477-K479 PolarHBondContact O-N 2.85Å; K479-K482 PolarHBondContact O-N 3.48Å; K479-T483 VanDerWaalsContact O-CB 3.31Å; K479-T483 WeakPolarHBondContact O-CB 3.47Å; K479-T483 PolarHBondContact O-N 3.12Å; K479-T483 PolarHBondContact O-OG1 3.06Å
480E90.8Very high90.3Very high37 Ų3772.6 Ų72.617%0.17336%0.361CS..Hα-helixtrans-61.6-55.3178.4-171-175.6172.800110.9L335 L338 A476 E477 K482 T483 I484L335-E480 HydrophobicContact CD2-CG 3.86Å; L338-E480 HydrophobicContact CB-CB 4.3Å; L338-E480 HydrophobicContact CD1-CB 4.4Å; A476-E480 PolarHBondContact O-N 2.78Å; E477-E480 PolarHBondContact O-N 3.21Å; E480-K482 VanDerWaalsContact C-N 3.28Å; E480-K482 PolarHBondContact O-N 3.33Å; E480-T483 CarbonylContact O-C 3.57Å; E480-T483 VanDerWaalsContact O-CA 3.32Å; E480-T483 WeakPolarHBondContact O-CA 3.05Å; E480-T483 WeakPolarHBondContact O-CB 3.34Å; E480-T483 PolarHBondContact O-N 3.1Å; E480-I484 HydrophobicContact CG-CD1 4.28Å; E480-I484 WeakPolarHBondContact O-CG1 3.07Å; E480-I484 PolarHBondContact O-N 3.22Å
481Q90.4Very high90.1Very high106 Ų10671.5 Ų71.550%0.49536%0.357SS..Hα-helixtrans-53.7-43.9176.3179.560.226.600112.3E477 T483 I484 E485E477-Q481 PolarHBondContact O-N 2.85Å; Q481-T483 VanDerWaalsContact C-N 3.31Å; Q481-T483 PolarHBondContact O-N 3.27Å; Q481-I484 PolarHBondContact O-N 3.15Å; Q481-E485 PolarHBondContact NE2-OE1 3.17Å; Q481-E485 PolarHBondContact O-N 3.15Å
482K91.3Very high89.9Confident146 Ų14675.6 Ų75.664%0.63537%0.372SS*.Hα-helixtrans-67.1-31.5175.1-72.4178.2-174.3178.40112.8K478 K479 E480 A486K478-K482 VanDerWaalsContact O-CD 3.27Å; K478-K482 WeakPolarHBondContact O-CD 3.3Å; K478-K482 VanDerWaalsContact O-CG 3.23Å; K478-K482 WeakPolarHBondContact O-CG 3.24Å; K479-K482 PolarHBondContact O-N 3.48Å; E480-K482 VanDerWaalsContact C-N 3.28Å; E480-K482 PolarHBondContact O-N 3.33Å; K482-A486 WeakPolarHBondContact O-CB 3.44Å; K482-A486 PolarHBondContact O-N 3.34Å
483T89.4Confident89.7Confident33 Ų3374.8 Ų74.820%0.20237%0.374CS..Hα-helixtrans-73.6-37176.1-58.20000110.8L335 K479 E480 Q481 A486 A487L335-T483 HydrophobicContact CD2-CG2 3.69Å; L335-T483 HydrophobicContact CG-CG2 4.26Å; K479-T483 VanDerWaalsContact O-CB 3.31Å; K479-T483 WeakPolarHBondContact O-CB 3.47Å; K479-T483 PolarHBondContact O-N 3.12Å; K479-T483 PolarHBondContact O-OG1 3.06Å; E480-T483 CarbonylContact O-C 3.57Å; E480-T483 VanDerWaalsContact O-CA 3.32Å; E480-T483 WeakPolarHBondContact O-CA 3.05Å; E480-T483 WeakPolarHBondContact O-CB 3.34Å; E480-T483 PolarHBondContact O-N 3.1Å; Q481-T483 VanDerWaalsContact C-N 3.31Å; Q481-T483 PolarHBondContact O-N 3.27Å; T483-A486 PolarHBondContact O-N 2.92Å; T483-A487 WeakPolarHBondContact O-CB 3.48Å; T483-A487 PolarHBondContact O-N 2.75Å
484I90.4Very high89.4Confident78 Ų7873.3 Ų73.340%0.437%0.372SS..Hα-helixtrans-62.3-48.8171.4-64.2169.6000110.2L335 E480 Q481 A486 A487 G488L335-I484 HydrophobicContact CD1-CG1 4.03Å; L335-I484 HydrophobicContact CD2-CD1 4.49Å; L335-I484 HydrophobicContact CD2-CG1 3.65Å; E480-I484 HydrophobicContact CG-CD1 4.28Å; E480-I484 WeakPolarHBondContact O-CG1 3.07Å; E480-I484 PolarHBondContact O-N 3.22Å; Q481-I484 PolarHBondContact O-N 3.15Å; I484-A486 PolarHBondContact O-N 2.87Å; I484-A487 PolarHBondContact O-N 3.37Å; I484-G488 PolarHBondContact O-N 3.02Å
485E88.3Confident89.1Confident92 Ų9271 Ų7143%0.4337%0.366SS..Hα-helixtrans-63.3-39.8176.5-75.1-178.6-13900113.2Q481 K489Q481-E485 PolarHBondContact NE2-OE1 3.17Å; Q481-E485 PolarHBondContact O-N 3.15Å; E485-K489 WeakPolarHBondContact O-CD 3.34Å; E485-K489 WeakPolarHBondContact O-CG 3.48Å; E485-K489 PolarHBondContact O-N 3.45Å; E485-K489 IonicContact OE2-NZ 3.64Å
486A88.7Confident89Confident53 Ų5375.5 Ų75.544%0.43838%0.381SS..Hα-helixtrans-67.8-43.1175.800000111.2K482 T483 I484 K489 A490K482-A486 WeakPolarHBondContact O-CB 3.44Å; K482-A486 PolarHBondContact O-N 3.34Å; T483-A486 PolarHBondContact O-N 2.92Å; I484-A486 PolarHBondContact O-N 2.87Å; A486-K489 PolarHBondContact O-N 2.83Å; A486-A490 VanDerWaalsContact O-CB 3.26Å; A486-A490 WeakPolarHBondContact O-CB 3.4Å; A486-A490 PolarHBondContact O-N 3Å
487A87.9Confident88.9Confident12 Ų1281.7 Ų81.710%0.09941%0.406CS..Hα-helixtrans-59.6-49.4175.200000110.6H331 T483 I484 K489 A490 M491H331-A487 HydrophobicContact CB-CB 4.23Å; T483-A487 WeakPolarHBondContact O-CB 3.48Å; T483-A487 PolarHBondContact O-N 2.75Å; I484-A487 PolarHBondContact O-N 3.37Å; A487-K489 VanDerWaalsContact C-N 3.25Å; A487-K489 PolarHBondContact O-N 3.44Å; A487-A490 PolarHBondContact O-N 2.99Å; A487-A490 VanDerWaalsContact O-N 3.16Å; A487-M491 WeakPolarHBondContact O-CB 3.42Å; A487-M491 VanDerWaalsContact O-CG 3.25Å; A487-M491 WeakPolarHBondContact O-CG 3.38Å; A487-M491 PolarHBondContact O-N 3.34Å
488G86.6Confident88.6Confident34 Ų3478.2 Ų78.235%0.35139%0.391SS..Hα-helixtrans-58.4-34.7177.800000113.8I484 K492I484-G488 PolarHBondContact O-N 3.02Å; G488-K492 VanDerWaalsContact O-CG 3.3Å; G488-K492 WeakPolarHBondContact O-CG 3.31Å; G488-K492 PolarHBondContact O-N 3.18Å
489K87.6Confident88.1Confident141 Ų14176.7 Ų76.761%0.61339%0.386SS*.Hα-helixtrans-76.4-43.3174.7-70162.5-173.6155.70111.8E485 A486 A487 S493E485-K489 WeakPolarHBondContact O-CD 3.34Å; E485-K489 WeakPolarHBondContact O-CG 3.48Å; E485-K489 PolarHBondContact O-N 3.45Å; E485-K489 IonicContact OE2-NZ 3.64Å; A486-K489 PolarHBondContact O-N 2.83Å; A487-K489 VanDerWaalsContact C-N 3.25Å; A487-K489 PolarHBondContact O-N 3.44Å; K489-S493 PolarHBondContact O-N 3.42Å
490A84.4Confident87.8Confident34 Ų3476 Ų7628%0.28139%0.385SS..Hα-helixtrans-63.8-47.117800000111.5A486 A487 S493 A494A486-A490 VanDerWaalsContact O-CB 3.26Å; A486-A490 WeakPolarHBondContact O-CB 3.4Å; A486-A490 PolarHBondContact O-N 3Å; A487-A490 PolarHBondContact O-N 2.99Å; A487-A490 VanDerWaalsContact O-N 3.16Å; A490-S493 CarbonylContact O-C 3.5Å; A490-S493 WeakPolarHBondContact O-CA 3.37Å; A490-S493 WeakPolarHBondContact O-CB 3.49Å; A490-S493 PolarHBondContact O-N 3.21Å; A490-S493 VanDerWaalsContact O-N 3.09Å; A490-S493 PolarHBondContact O-OG 3.45Å; A490-A494 PolarHBondContact O-N 3.4Å
491M87.3Confident87.3Confident23 Ų2377 Ų7711%0.11339%0.393CS..Hα-helixtrans-57.9-53.3177.4-76.4-53.3-45.800111.8L324 V327 K328 A487 S493 A494 E495L324-M491 HydrophobicContact CD1-CE 3.54Å; L324-M491 HydrophobicContact CG-CE 4.3Å; V327-M491 HydrophobicContact CG1-SD 4.02Å; K328-M491 HydrophobicContact CD-CE 4.04Å; K328-M491 HydrophobicContact CG-CE 3.44Å; K328-M491 VanDerWaalsContact CG-CE 3.44Å; K328-M491 HydrophobicContact CG-SD 3.65Å; A487-M491 WeakPolarHBondContact O-CB 3.42Å; A487-M491 VanDerWaalsContact O-CG 3.25Å; A487-M491 WeakPolarHBondContact O-CG 3.38Å; A487-M491 PolarHBondContact O-N 3.34Å; M491-S493 PolarHBondContact O-N 2.95Å; M491-S493 VanDerWaalsContact O-N 3.13Å; M491-A494 CarbonylContact O-C 3.52Å; M491-A494 WeakPolarHBondContact O-CA 3.37Å; M491-A494 PolarHBondContact O-N 3.49Å; M491-E495 HydrophobicContact CE-CG 4.13Å; M491-E495 WeakPolarHBondContact O-CB 3.49Å; M491-E495 VanDerWaalsContact O-CG 3.32Å; M491-E495 WeakPolarHBondContact O-CG 3.46Å; M491-E495 PolarHBondContact O-N 3.38Å
492K88.6Confident86.7Confident156 Ų15673.5 Ų73.568%0.67838%0.378SS*.Hα-helixtrans-57.8-31.1175.6-71.7174.9-178.7-179.60112.6G488 K496G488-K492 VanDerWaalsContact O-CG 3.3Å; G488-K492 WeakPolarHBondContact O-CG 3.31Å; G488-K492 PolarHBondContact O-N 3.18Å; K492-K496 VanDerWaalsContact O-CB 3.27Å; K492-K496 WeakPolarHBondContact O-CB 3.43Å; K492-K496 PolarHBondContact O-N 3.14Å
493S88.5Confident86Confident56 Ų5671.8 Ų71.839%0.39237%0.371SS..Hα-helixtrans-75.7-33.7174.4900000113.7K489 A490 M491 K497K489-S493 PolarHBondContact O-N 3.42Å; A490-S493 CarbonylContact O-C 3.5Å; A490-S493 WeakPolarHBondContact O-CA 3.37Å; A490-S493 WeakPolarHBondContact O-CB 3.49Å; A490-S493 PolarHBondContact O-N 3.21Å; A490-S493 VanDerWaalsContact O-N 3.09Å; A490-S493 PolarHBondContact O-OG 3.45Å; M491-S493 PolarHBondContact O-N 2.95Å; M491-S493 VanDerWaalsContact O-N 3.13Å; S493-K497 VanDerWaalsContact O-CG 3.31Å; S493-K497 WeakPolarHBondContact O-CG 3.41Å; S493-K497 PolarHBondContact O-N 2.97Å
494A85.9Confident85.2Confident19 Ų1975.7 Ų75.716%0.15739%0.387CS..Hα-helixtrans-73.5-49.1176.300000110.8L324 A490 M491 K496 K497 T498L324-A494 HydrophobicContact CD1-CB 3.73Å; A490-A494 PolarHBondContact O-N 3.4Å; M491-A494 CarbonylContact O-C 3.52Å; M491-A494 WeakPolarHBondContact O-CA 3.37Å; M491-A494 PolarHBondContact O-N 3.49Å; A494-K496 VanDerWaalsContact C-N 3.3Å; A494-K496 PolarHBondContact O-N 2.92Å; A494-K497 WeakPolarHBondContact O-CB 3.5Å; A494-K497 PolarHBondContact O-N 2.81Å; A494-T498 PolarHBondContact O-N 3.07Å; A494-T498 PolarHBondContact O-OG1 3.48Å
495E88.4Confident84.3Confident80 Ų8073.2 Ų73.237%0.37438%0.375SS..Hα-helixtrans-55.7-43.7174.8-69170.2164.400111.4L324 M491 K497 T498 Q499L324-E495 HydrophobicContact CD1-CG 3.84Å; L324-E495 HydrophobicContact CD2-CG 4.03Å; M491-E495 HydrophobicContact CE-CG 4.13Å; M491-E495 WeakPolarHBondContact O-CB 3.49Å; M491-E495 VanDerWaalsContact O-CG 3.32Å; M491-E495 WeakPolarHBondContact O-CG 3.46Å; M491-E495 PolarHBondContact O-N 3.38Å; E495-K497 PolarHBondContact O-N 2.86Å; E495-T498 PolarHBondContact O-N 3.31Å; E495-Q499 WeakPolarHBondContact O-CB 3.5Å; E495-Q499 PolarHBondContact O-N 3.43Å
496K88.6Confident83Confident139 Ų13975 Ų7560%0.60438%0.384SS*.Hα-helixtrans-62.5-41.6175.2-173.8171.4-178.31750112.6K492 A494 Q500K492-K496 VanDerWaalsContact O-CB 3.27Å; K492-K496 WeakPolarHBondContact O-CB 3.43Å; K492-K496 PolarHBondContact O-N 3.14Å; A494-K496 VanDerWaalsContact C-N 3.3Å; A494-K496 PolarHBondContact O-N 2.92Å; K496-Q500 VanDerWaalsContact O-CG 3.31Å; K496-Q500 WeakPolarHBondContact O-CG 3.33Å; K496-Q500 PolarHBondContact O-N 2.94Å; K496-Q500 PolarHBondContact O-OE1 3.42Å
497K87.5Confident81.5Confident134 Ų13478.1 Ų78.158%0.58340%0.397SS*.Hα-helixtrans-66.2-46.1175.3-74.1168.2-178.4171.80111.7S493 A494 E495 Q499 Q500 T501S493-K497 VanDerWaalsContact O-CG 3.31Å; S493-K497 WeakPolarHBondContact O-CG 3.41Å; S493-K497 PolarHBondContact O-N 2.97Å; A494-K497 WeakPolarHBondContact O-CB 3.5Å; A494-K497 PolarHBondContact O-N 2.81Å; E495-K497 PolarHBondContact O-N 2.86Å; K497-Q499 VanDerWaalsContact C-N 3.33Å; K497-Q499 PolarHBondContact O-N 3.15Å; K497-Q500 WeakPolarHBondContact O-CB 3.12Å; K497-Q500 PolarHBondContact O-N 2.97Å; K497-Q500 VanDerWaalsContact O-N 3.14Å; K497-T501 PolarHBondContact O-N 3.08Å; K497-T501 PolarHBondContact O-OG1 3.33Å
498T85.1Confident80.1Confident18 Ų1882.2 Ų82.211%0.1142%0.421CS..Hα-helixtrans-58.5-46.2175.6-62.90000110.4A320 L321 A494 E495 Q500 T501 L502A320-T498 HydrophobicContact CB-CG2 4.2Å; L321-T498 HydrophobicContact CD2-CG2 4.4Å; A494-T498 PolarHBondContact O-N 3.07Å; A494-T498 PolarHBondContact O-OG1 3.48Å; E495-T498 PolarHBondContact O-N 3.31Å; T498-Q500 VanDerWaalsContact C-N 3.31Å; T498-Q500 PolarHBondContact O-N 2.96Å; T498-T501 WeakPolarHBondContact CA-OG1 3.47Å; T498-T501 PolarHBondContact O-N 2.83Å; T498-T501 PolarHBondContact O-OG1 3.42Å; T498-L502 HydrophobicContact CG2-CD1 4.01Å; T498-L502 HydrophobicContact CG2-CG 4.35Å; T498-L502 VanDerWaalsContact O-CG 3.27Å; T498-L502 WeakPolarHBondContact O-CG 3.19Å; T498-L502 PolarHBondContact O-N 3.06Å
499Q83.6Confident78.5Confident108 Ų10881.6 Ų81.651%0.50541%0.41SS..Hα-helixtrans-65.1-31.5176.8-160-164.173.900113E495 K497 K503E495-Q499 WeakPolarHBondContact O-CB 3.5Å; E495-Q499 PolarHBondContact O-N 3.43Å; K497-Q499 VanDerWaalsContact C-N 3.33Å; K497-Q499 PolarHBondContact O-N 3.15Å; Q499-K503 HydrophobicContact CG-CD 4.49Å; Q499-K503 WeakPolarHBondContact O-CD 3.49Å; Q499-K503 VanDerWaalsContact O-CG 3.3Å; Q499-K503 WeakPolarHBondContact O-CG 3.45Å; Q499-K503 PolarHBondContact O-N 3.19Å
500Q84.2Confident77Confident97 Ų9779.3 Ų79.345%0.45341%0.408SS..Hα-helixtrans-66.1-49.8170.4-74.4175.3-69.800110.9K496 K497 T498 L502 K503 E504K496-Q500 VanDerWaalsContact O-CG 3.31Å; K496-Q500 WeakPolarHBondContact O-CG 3.33Å; K496-Q500 PolarHBondContact O-N 2.94Å; K496-Q500 PolarHBondContact O-OE1 3.42Å; K497-Q500 WeakPolarHBondContact O-CB 3.12Å; K497-Q500 PolarHBondContact O-N 2.97Å; K497-Q500 VanDerWaalsContact O-N 3.14Å; T498-Q500 VanDerWaalsContact C-N 3.31Å; T498-Q500 PolarHBondContact O-N 2.96Å; Q500-L502 VanDerWaalsContact C-N 3.32Å; Q500-L502 PolarHBondContact O-N 3.44Å; Q500-K503 PolarHBondContact O-N 2.82Å; Q500-K503 VanDerWaalsContact O-N 3.16Å; Q500-E504 WeakPolarHBondContact O-CG 3.38Å; Q500-E504 PolarHBondContact O-N 2.91Å
501T81.1Confident76Confident57 Ų5778.6 Ų78.635%0.3540%0.399SS..Hα-helixtrans-62.9-35.317851.70000113.2K497 T498 E504 V505K497-T501 PolarHBondContact O-N 3.08Å; K497-T501 PolarHBondContact O-OG1 3.33Å; T498-T501 WeakPolarHBondContact CA-OG1 3.47Å; T498-T501 PolarHBondContact O-N 2.83Å; T498-T501 PolarHBondContact O-OG1 3.42Å; T501-E504 PolarHBondContact O-N 3.39Å; T501-V505 WeakPolarHBondContact O-CB 3.46Å; T501-V505 VanDerWaalsContact O-CG2 3.24Å; T501-V505 WeakPolarHBondContact O-CG2 3.41Å; T501-V505 PolarHBondContact O-N 3.04Å
502L78.3Confident74.8Confident33 Ų3381.5 Ų81.517%0.17341%0.413CS..Hα-helixtrans-64.7-41.3175.1-70170.9000111.5E317 T498 Q500 Q506E317-L502 HydrophobicContact CB-CD2 3.82Å; E317-L502 HydrophobicContact CG-CD2 3.61Å; T498-L502 HydrophobicContact CG2-CD1 4.01Å; T498-L502 HydrophobicContact CG2-CG 4.35Å; T498-L502 VanDerWaalsContact O-CG 3.27Å; T498-L502 WeakPolarHBondContact O-CG 3.19Å; T498-L502 PolarHBondContact O-N 3.06Å; Q500-L502 VanDerWaalsContact C-N 3.32Å; Q500-L502 PolarHBondContact O-N 3.44Å; L502-Q506 WeakPolarHBondContact O-CB 3.36Å; L502-Q506 VanDerWaalsContact O-CG 3.25Å; L502-Q506 WeakPolarHBondContact O-CG 3.15Å; L502-Q506 PolarHBondContact O-N 3.04Å
503K76.5Confident73.6Confident110 Ų11079.8 Ų79.848%0.47841%0.405SS..Hα-helixtrans-67.1-41.3175.4-73.7167.4177.4170.80112Q499 Q500 Q506 T507Q499-K503 HydrophobicContact CG-CD 4.49Å; Q499-K503 WeakPolarHBondContact O-CD 3.49Å; Q499-K503 VanDerWaalsContact O-CG 3.3Å; Q499-K503 WeakPolarHBondContact O-CG 3.45Å; Q499-K503 PolarHBondContact O-N 3.19Å; Q500-K503 PolarHBondContact O-N 2.82Å; Q500-K503 VanDerWaalsContact O-N 3.16Å; K503-Q506 PolarHBondContact O-N 3.27Å; K503-T507 WeakPolarHBondContact O-CG2 3.49Å; K503-T507 PolarHBondContact O-N 3.47Å; K503-T507 VanDerWaalsContact O-N 3.12Å; K503-T507 PolarHBondContact O-OG1 2.88Å
504E72.5Confident72.3Confident116 Ų11678.9 Ų78.954%0.54240%0.401SS..Hα-helixtrans-61.3-47.6175.5-72.7165-174.500111Q500 T501 Q506 T507 V508Q500-E504 WeakPolarHBondContact O-CG 3.38Å; Q500-E504 PolarHBondContact O-N 2.91Å; T501-E504 PolarHBondContact O-N 3.39Å; E504-Q506 PolarHBondContact O-N 3.27Å; E504-T507 PolarHBondContact O-N 3.31Å; E504-T507 VanDerWaalsContact O-N 3.15Å; E504-T507 PolarHBondContact O-OG1 3.42Å; E504-V508 WeakPolarHBondContact O-CG2 3.5Å
505V71.6Confident71.6Confident26 Ų2680.9 Ų80.916%0.15841%0.405CS..Hα-helixtrans-59.2-46.9175.4169.30000111.5A313 Q316 T501 T507 V508A313-V505 HydrophobicContact CB-CG1 3.48Å; A313-V505 VanDerWaalsContact CB-CG1 3.48Å; Q316-V505 HydrophobicContact CB-CG2 4.23Å; T501-V505 WeakPolarHBondContact O-CB 3.46Å; T501-V505 VanDerWaalsContact O-CG2 3.24Å; T501-V505 WeakPolarHBondContact O-CG2 3.41Å; T501-V505 PolarHBondContact O-N 3.04Å; V505-T507 PolarHBondContact O-N 2.89Å; V505-V508 PolarHBondContact O-N 3.42Å; V505-V508 VanDerWaalsContact O-N 3.11Å
506Q60.8Low70.6Confident129 Ų12984.7 Ų84.760%0.60342%0.42SS*.Hα-helixtrans-60.7-25.2176.8-76.4172.9-7.100113.9L502 K503 E504L502-Q506 WeakPolarHBondContact O-CB 3.36Å; L502-Q506 VanDerWaalsContact O-CG 3.25Å; L502-Q506 WeakPolarHBondContact O-CG 3.15Å; L502-Q506 PolarHBondContact O-N 3.04Å; K503-Q506 PolarHBondContact O-N 3.27Å; E504-Q506 PolarHBondContact O-N 3.27Å
507T56.2Low69.9Low118 Ų11882.3 Ų82.372%0.72442%0.417SS*.THydrogen-bonded Turntrans-84.7-4.617752.90000115K503 E504 V505K503-T507 WeakPolarHBondContact O-CG2 3.49Å; K503-T507 PolarHBondContact O-N 3.47Å; K503-T507 VanDerWaalsContact O-N 3.12Å; K503-T507 PolarHBondContact O-OG1 2.88Å; E504-T507 PolarHBondContact O-N 3.31Å; E504-T507 VanDerWaalsContact O-N 3.15Å; E504-T507 PolarHBondContact O-OG1 3.42Å; V505-T507 PolarHBondContact O-N 2.89Å
508V58.3Low69.5Low98 Ų9877.2 Ų77.259%0.59439%0.394SS*.THydrogen-bonded Turntrans-111.3-12.7-173.7175.30000112.9E504 V505E504-V508 WeakPolarHBondContact O-CG2 3.5Å; V505-V508 PolarHBondContact O-N 3.42Å; V505-V508 VanDerWaalsContact O-N 3.11Å
509T53Low69.4Low22 Ų2280.8 Ų80.814%0.13541%0.406CS..  trans-76.2-35.3-168.341.90000116.1I309 A313 I511I309-T509 HydrophobicContact CG2-CG2 4.12Å; I309-T509 WeakPolarHBondContact CG2-O 3.31Å; A313-T509 HydrophobicContact CB-CG2 3.28Å; T509-I511 PolarHBondContact O-N 3.3Å
510T56.6Low69.4Low93 Ų9376 Ų7657%0.57138%0.383SS*.  trans-84104.4-165.3-33.40000113Q512T510-Q512 HydrophobicContact CG2-CG 3.67Å
511I62.7Low69.4Low18 Ų1872.4 Ų72.49%0.09237%0.366CS..  trans-66.2131.8156.4-60.8179.4000107.5F63 W65 E305 I309 T509F63-I511 HydrophobicContact CB-CG2 4.15Å; F63-I511 HydrophobicContact CD1-CG2 4.05Å; F63-I511 HydrophobicContact CG-CG2 4.45Å; W65-I511 HydrophobicContact CE3-CD1 4.23Å; W65-I511 HydrophobicContact CH2-CD1 4.2Å; W65-I511 HydrophobicContact CZ3-CD1 3.96Å; E305-I511 HydrophobicContact CB-CD1 3.97Å; E305-I511 HydrophobicContact CG-CD1 4.24Å; I309-I511 HydrophobicContact CD1-CD1 3.73Å; I309-I511 HydrophobicContact CD1-CG1 3.86Å; T509-I511 PolarHBondContact O-N 3.3Å
512Q62.9Low69.5Low84 Ų8474.4 Ų74.439%0.39337%0.37SS..EExtended strand (participates in β ladder)trans-130.5147.5177.5-63.5-1750.400110.2E64 T510 A514 S1018E64-Q512 PolarHBondContact N-O 2.87Å; T510-Q512 HydrophobicContact CG2-CG 3.67Å; Q512-A514 PolarHBondContact O-N 3.26Å; Q512-S1018 VanDerWaalsContact OE1-CB 3.22Å
513K63.3Low70.1Confident121 Ų12172.9 Ų72.953%0.52636%0.362SS..EExtended strand (participates in β ladder)trans-60.6127.6174-165.4162.5-173.1163.70108.8F63 R515F63-K513 VanDerWaalsContact CD1-CA 3.47Å; F63-K513 HydrophobicContact CD1-CB 3.95Å; F63-K513 HydrophobicContact CD1-CG 4.42Å; F63-K513 HydrophobicContact CE1-CB 3.82Å; F63-K513 HydrophobicContact CE1-CG 4.26Å; F63-K513 HydrophobicContact CZ-CB 4.36Å; F63-K513 HydrophobicContact CZ-CD 4.3Å; F63-K513 HydrophobicContact CZ-CG 4.35Å; K513-R515 PolarHBondContact O-N 3.27Å; K513-R515 VanDerWaalsContact O-N 3.13Å
514A61Low70.7Confident37 Ų3767.9 Ų67.931%0.30634%0.341SS..PPolyproline II helixtrans-66.7117-176.700000108.4D62 E64 Q512 K516D62-A514 WeakPolarHBondContact O-CA 3.41Å; D62-A514 WeakPolarHBondContact O-CB 3.45Å; D62-A514 PolarHBondContact O-N 3.46Å; E64-A514 HydrophobicContact CB-CB 4.05Å; Q512-A514 PolarHBondContact O-N 3.26Å; A514-K516 PolarHBondContact O-N 2.64Å
515R71.7Confident71.7Confident61 Ų6162.5 Ų62.523%0.2332%0.315CS..PPolyproline II helixtrans-59.5126.1175.9179172.4172.1-96.5-22109.5K513 V517 Y518 E521 F964K513-R515 PolarHBondContact O-N 3.27Å; K513-R515 VanDerWaalsContact O-N 3.13Å; R515-V517 PolarHBondContact O-N 3.43Å; R515-Y518 VanDerWaalsContact NH2-CD2 3.32Å; R515-Y518 VanDerWaalsContact NH2-CE2 3.31Å; R515-E521 IonicContact CZ-OE1 2.82Å; R515-E521 VanDerWaalsContact CZ-OE1 3.26Å; R515-E521 IonicContact CZ-OE2 3.32Å; R515-E521 VanDerWaalsContact NH1-CD 3.28Å; R515-E521 IonicContact NH1-OE1 2.64Å; R515-E521 PolarHBondContact NH1-OE1 2.96Å; R515-E521 VanDerWaalsContact NH1-OE1 3.09Å; R515-E521 IonicContact NH1-OE2 2.64Å; R515-E521 PolarHBondContact NH1-OE2 2.97Å; R515-E521 IonicContact NH2-OE1 3.7Å; R515-E521 PolarHBondContact NH2-OE1 3.32Å; R515-E521 IonicContact NH2-OE2 2.77Å; R515-F964 HydrophobicContact CG-CD1 3.86Å; R515-F964 HydrophobicContact CG-CD2 4.31Å; R515-F964 HydrophobicContact CG-CE1 3.9Å; R515-F964 HydrophobicContact CG-CE2 4.38Å; R515-F964 HydrophobicContact CG-CG 4.07Å; R515-F964 HydrophobicContact CG-CZ 4.16Å
516K66.8Low72.6Confident160 Ų16061.2 Ų61.270%0.69631%0.308SS*.  trans-62.2100.4165.6-70.7-174.7178.8179.90108.1A514 Y518A514-K516 PolarHBondContact O-N 2.64Å; K516-Y518 PolarHBondContact O-N 3.32Å
517V73.6Confident74Confident88 Ų8855.1 Ų55.153%0.53328%0.279SS..  trans-73.4122.2178.9178.20000108.5R515 E521R515-V517 PolarHBondContact O-N 3.43Å; V517-E521 HydrophobicContact CG1-CB 3.74Å; V517-E521 HydrophobicContact CG1-CG 4.36Å
518Y80.4Confident75.5Confident27 Ų2749.5 Ų49.511%0.10625%0.245CC..  trans-65.8151-179.2-57.1-64.9000111.1R515 K516 F520 E521 L948 L952 F964R515-Y518 VanDerWaalsContact NH2-CD2 3.32Å; R515-Y518 VanDerWaalsContact NH2-CE2 3.31Å; K516-Y518 PolarHBondContact O-N 3.32Å; Y518-F520 VanDerWaalsContact CB-CZ 3.46Å; Y518-F520 HydrophobicContact CD1-CZ 4.48Å; Y518-F520 HydrophobicContact CD2-CE1 4.35Å; Y518-F520 AromaticContact CD2-CE2 3.98Å; Y518-F520 HydrophobicContact CD2-CE2 3.98Å; Y518-F520 AromaticContact CD2-CZ 3.56Å; Y518-F520 HydrophobicContact CD2-CZ 3.56Å; Y518-F520 HydrophobicContact CE2-CZ 4.42Å; Y518-F520 AromaticContact CG-CE1 3.93Å; Y518-F520 HydrophobicContact CG-CE1 3.93Å; Y518-F520 HydrophobicContact CG-CE2 4.21Å; Y518-F520 AromaticContact CG-CZ 3.6Å; Y518-F520 HydrophobicContact CG-CZ 3.6Å; Y518-F520 PolarHBondContact O-N 2.87Å; Y518-E521 WeakPolarHBondContact CD2-OE1 3.48Å; Y518-E521 PolarHBondContact N-OE1 3.11Å; Y518-E521 WeakPolarHBondContact O-CB 3.41Å; Y518-E521 PolarHBondContact O-N 3.02Å; Y518-E521 VanDerWaalsContact O-N 3.1Å; Y518-L948 HydrophobicContact CD1-CD1 4.16Å; Y518-L948 HydrophobicContact CE1-CB 4.39Å; Y518-L948 HydrophobicContact CE1-CD1 3.99Å; Y518-L948 HydrophobicContact CE1-CD2 3.89Å; Y518-L948 HydrophobicContact CE1-CG 4.32Å; Y518-L952 HydrophobicContact CE2-CD1 4.01Å; Y518-L952 HydrophobicContact CE2-CD2 4.28Å; Y518-F964 HydrophobicContact CE2-CZ 4.49Å
519W81.9Confident76.8Confident94 Ų9445.3 Ų45.336%0.35622%0.22SC..G310 helixtrans-59.4-35.9-175.867.6-100000112.4E521 K522 F523 L533 I535 Y550W519-E521 VanDerWaalsContact C-N 3.31Å; W519-E521 PolarHBondContact O-N 3.28Å; W519-K522 WeakPolarHBondContact O-CB 3.48Å; W519-K522 PolarHBondContact O-N 3.39Å; W519-F523 HydrophobicContact CE3-CE2 4.33Å; W519-F523 HydrophobicContact CZ3-CD2 4.4Å; W519-F523 HydrophobicContact CZ3-CE2 4.26Å; W519-L533 HydrophobicContact CZ2-CD2 4.18Å; W519-I535 HydrophobicContact CH2-CD1 4.1Å; W519-I535 HydrophobicContact CZ3-CD1 4.13Å; W519-Y550 HydrophobicContact CD2-CE1 4.1Å; W519-Y550 AromaticContact CE3-CD1 3.88Å; W519-Y550 HydrophobicContact CE3-CD1 3.88Å; W519-Y550 AromaticContact CE3-CE1 3.42Å; W519-Y550 HydrophobicContact CE3-CE1 3.42Å; W519-Y550 VanDerWaalsContact CE3-CE1 3.42Å; W519-Y550 AromaticContact CE3-CZ 3.92Å; W519-Y550 AromaticContact CH2-CD1 3.66Å; W519-Y550 HydrophobicContact CH2-CD1 3.66Å; W519-Y550 HydrophobicContact CH2-CE1 4.05Å; W519-Y550 HydrophobicContact CH2-CG 4.41Å; W519-Y550 HydrophobicContact CZ2-CD1 4.46Å; W519-Y550 AromaticContact CZ3-CD1 3.32Å; W519-Y550 HydrophobicContact CZ3-CD1 3.32Å; W519-Y550 AromaticContact CZ3-CE1 3.4Å; W519-Y550 HydrophobicContact CZ3-CE1 3.4Å; W519-Y550 VanDerWaalsContact CZ3-CE1 3.4Å; W519-Y550 AromaticContact CZ3-CG 3.96Å; W519-Y550 HydrophobicContact CZ3-CG 3.96Å
520F84.3Confident78.3Confident8 Ų845.1 Ų45.14%0.03522%0.218CC..G310 helixtrans-69.3-24.518053.9-106.3000113.4Y518 K522 F523 W525 L533 I535Y518-F520 VanDerWaalsContact CB-CZ 3.46Å; Y518-F520 HydrophobicContact CD1-CZ 4.48Å; Y518-F520 HydrophobicContact CD2-CE1 4.35Å; Y518-F520 AromaticContact CD2-CE2 3.98Å; Y518-F520 HydrophobicContact CD2-CE2 3.98Å; Y518-F520 AromaticContact CD2-CZ 3.56Å; Y518-F520 HydrophobicContact CD2-CZ 3.56Å; Y518-F520 HydrophobicContact CE2-CZ 4.42Å; Y518-F520 AromaticContact CG-CE1 3.93Å; Y518-F520 HydrophobicContact CG-CE1 3.93Å; Y518-F520 HydrophobicContact CG-CE2 4.21Å; Y518-F520 AromaticContact CG-CZ 3.6Å; Y518-F520 HydrophobicContact CG-CZ 3.6Å; Y518-F520 PolarHBondContact O-N 2.87Å; F520-K522 PolarHBondContact O-N 3.16Å; F520-F523 WeakPolarHBondContact O-CB 3.37Å; F520-F523 PolarHBondContact O-N 2.96Å; F520-W525 HydrophobicContact CD2-CB 4.24Å; F520-W525 AromaticContact CD2-CD2 3.54Å; F520-W525 HydrophobicContact CD2-CD2 3.54Å; F520-W525 AromaticContact CD2-CE3 3.73Å; F520-W525 HydrophobicContact CD2-CE3 3.73Å; F520-W525 AromaticContact CD2-CG 3.74Å; F520-W525 HydrophobicContact CD2-CG 3.74Å; F520-W525 HydrophobicContact CD2-CZ3 4.34Å; F520-W525 AromaticContact CE2-CD2 3.69Å; F520-W525 HydrophobicContact CE2-CD2 3.69Å; F520-W525 AromaticContact CE2-CE2 3.96Å; F520-W525 AromaticContact CE2-CE3 3.53Å; F520-W525 HydrophobicContact CE2-CE3 3.53Å; F520-W525 HydrophobicContact CE2-CG 4.38Å; F520-W525 AromaticContact CE2-CH2 3.95Å; F520-W525 HydrophobicContact CE2-CH2 3.95Å; F520-W525 HydrophobicContact CE2-CZ2 4.1Å; F520-W525 AromaticContact CE2-CZ3 3.66Å; F520-W525 HydrophobicContact CE2-CZ3 3.66Å; F520-W525 HydrophobicContact CZ-CZ3 4.48Å; F520-L533 HydrophobicContact CB-CD1 4.45Å; F520-L533 HydrophobicContact CB-CD2 4.28Å; F520-L533 HydrophobicContact CD1-CD1 4.25Å; F520-L533 HydrophobicContact CD1-CD2 3.66Å; F520-L533 HydrophobicContact CD2-CD1 4.2Å; F520-L533 HydrophobicContact CE1-CD2 4.18Å; F520-L533 HydrophobicContact CG-CD1 4.07Å; F520-L533 HydrophobicContact CG-CD2 4.09Å; F520-I535 HydrophobicContact CB-CG2 3.93Å
521E83.4Confident79.6Confident20 Ų2042.9 Ų42.99%0.09320%0.202CC..G310 helixtrans-66.7-9.4174.6-63.7-177.5-10600113.5R515 V517 Y518 W519 W525 R1026R515-E521 IonicContact CZ-OE1 2.82Å; R515-E521 VanDerWaalsContact CZ-OE1 3.26Å; R515-E521 IonicContact CZ-OE2 3.32Å; R515-E521 VanDerWaalsContact NH1-CD 3.28Å; R515-E521 IonicContact NH1-OE1 2.64Å; R515-E521 PolarHBondContact NH1-OE1 2.96Å; R515-E521 VanDerWaalsContact NH1-OE1 3.09Å; R515-E521 IonicContact NH1-OE2 2.64Å; R515-E521 PolarHBondContact NH1-OE2 2.97Å; R515-E521 IonicContact NH2-OE1 3.7Å; R515-E521 PolarHBondContact NH2-OE1 3.32Å; R515-E521 IonicContact NH2-OE2 2.77Å; V517-E521 HydrophobicContact CG1-CB 3.74Å; V517-E521 HydrophobicContact CG1-CG 4.36Å; Y518-E521 WeakPolarHBondContact CD2-OE1 3.48Å; Y518-E521 PolarHBondContact N-OE1 3.11Å; Y518-E521 WeakPolarHBondContact O-CB 3.41Å; Y518-E521 PolarHBondContact O-N 3.02Å; Y518-E521 VanDerWaalsContact O-N 3.1Å; W519-E521 VanDerWaalsContact C-N 3.31Å; W519-E521 PolarHBondContact O-N 3.28Å; E521-W525 HydrophobicContact CG-CZ2 4.01Å; E521-R1026 PolarHBondContact O-NH2 2.94Å
522K83.9Confident80.8Confident100 Ų10043.3 Ų43.344%0.43520%0.203SC..G310 helixtrans-59.3-40164.6-172.8-178.7178.6-176.80110.8W519 F520 R538 M545 R1026W519-K522 WeakPolarHBondContact O-CB 3.48Å; W519-K522 PolarHBondContact O-N 3.39Å; F520-K522 PolarHBondContact O-N 3.16Å; K522-R538 PolarHBondContact O-NH1 2.97Å; K522-M545 PolarHBondContact NZ-SD 3.25Å; K522-R1026 PolarHBondContact O-NH2 3.26Å
523F89.6Confident82Confident0 Ų039.7 Ų39.70%019%0.186CC..SBendtrans-93.9179.3-175.7-55.9-64.9000111.6W519 F520 A536 R538 Q542 M545 I546 Y550W519-F523 HydrophobicContact CE3-CE2 4.33Å; W519-F523 HydrophobicContact CZ3-CD2 4.4Å; W519-F523 HydrophobicContact CZ3-CE2 4.26Å; F520-F523 WeakPolarHBondContact O-CB 3.37Å; F520-F523 PolarHBondContact O-N 2.96Å; F523-A536 WeakPolarHBondContact CB-O 3.42Å; F523-R538 VanDerWaalsContact C-CZ 3.5Å; F523-R538 VanDerWaalsContact C-NH2 3.33Å; F523-R538 PolarHBondContact O-NH1 2.71Å; F523-R538 PolarHBondContact O-NH2 3.09Å; F523-Q542 HydrophobicContact CD1-CB 4.15Å; F523-Q542 HydrophobicContact CE1-CB 4.18Å; F523-M545 HydrophobicContact CE1-SD 4.47Å; F523-M545 HydrophobicContact CZ-CG 4.2Å; F523-M545 HydrophobicContact CZ-SD 4.15Å; F523-I546 HydrophobicContact CB-CD1 4.35Å; F523-I546 HydrophobicContact CD1-CD1 3.71Å; F523-I546 HydrophobicContact CD1-CG1 3.85Å; F523-I546 HydrophobicContact CD2-CG1 4.4Å; F523-I546 HydrophobicContact CE1-CD1 4.11Å; F523-I546 HydrophobicContact CE1-CG1 3.75Å; F523-I546 HydrophobicContact CE2-CG1 4.32Å; F523-I546 HydrophobicContact CG-CD1 3.98Å; F523-I546 HydrophobicContact CG-CG1 4.17Å; F523-I546 HydrophobicContact CZ-CG1 3.99Å; F523-Y550 HydrophobicContact CE2-CD2 4.12Å; F523-Y550 AromaticContact CE2-CE2 3.79Å; F523-Y550 HydrophobicContact CE2-CE2 3.79Å; F523-Y550 HydrophobicContact CZ-CD2 4.18Å; F523-Y550 AromaticContact CZ-CE2 3.81Å; F523-Y550 HydrophobicContact CZ-CE2 3.81Å
524L90.4Very high83.4Confident5 Ų534 Ų343%0.02616%0.161CC..EExtended strand (participates in β ladder)trans-71.5143.2155.5-62.3167000106.8I535 A536 R538 T566 Y593L524-I535 CarbonylContact O-C 3.6Å; L524-I535 WeakPolarHBondContact O-CA 3.46Å; L524-A536 WeakPolarHBondContact CA-O 3.5Å; L524-A536 HydrophobicContact CB-CB 4.17Å; L524-A536 WeakPolarHBondContact CB-O 3.17Å; L524-A536 PolarHBondContact N-O 2.85Å; L524-A536 PolarHBondContact O-N 3.18Å; L524-R538 HydrophobicContact CD1-CG 3.93Å; L524-R538 HydrophobicContact CD2-CG 3.94Å; L524-R538 HydrophobicContact CG-CG 3.58Å; L524-T566 HydrophobicContact CD1-CG2 4.35Å; L524-Y593 HydrophobicContact CD1-CD1 3.85Å; L524-Y593 HydrophobicContact CD1-CD2 3.76Å; L524-Y593 HydrophobicContact CD1-CE1 3.96Å; L524-Y593 HydrophobicContact CD1-CE2 3.88Å; L524-Y593 HydrophobicContact CD1-CG 3.76Å; L524-Y593 HydrophobicContact CD2-CE1 4.07Å; L524-Y593 HydrophobicContact CD2-CE2 4.48Å
525W92.3Very high84.9Confident3 Ų332.2 Ų32.21%0.01115%0.146CC..EExtended strand (participates in β ladder)trans-158.5158.1-178.567.8-79.8000110.9F520 E521 I527 L533 V534 I535 L649 V966 V968F520-W525 HydrophobicContact CD2-CB 4.24Å; F520-W525 AromaticContact CD2-CD2 3.54Å; F520-W525 HydrophobicContact CD2-CD2 3.54Å; F520-W525 AromaticContact CD2-CE3 3.73Å; F520-W525 HydrophobicContact CD2-CE3 3.73Å; F520-W525 AromaticContact CD2-CG 3.74Å; F520-W525 HydrophobicContact CD2-CG 3.74Å; F520-W525 HydrophobicContact CD2-CZ3 4.34Å; F520-W525 AromaticContact CE2-CD2 3.69Å; F520-W525 HydrophobicContact CE2-CD2 3.69Å; F520-W525 AromaticContact CE2-CE2 3.96Å; F520-W525 AromaticContact CE2-CE3 3.53Å; F520-W525 HydrophobicContact CE2-CE3 3.53Å; F520-W525 HydrophobicContact CE2-CG 4.38Å; F520-W525 AromaticContact CE2-CH2 3.95Å; F520-W525 HydrophobicContact CE2-CH2 3.95Å; F520-W525 HydrophobicContact CE2-CZ2 4.1Å; F520-W525 AromaticContact CE2-CZ3 3.66Å; F520-W525 HydrophobicContact CE2-CZ3 3.66Å; F520-W525 HydrophobicContact CZ-CZ3 4.48Å; E521-W525 HydrophobicContact CG-CZ2 4.01Å; W525-I527 HydrophobicContact CZ3-CG1 4.12Å; W525-L533 HydrophobicContact CE3-CD1 4.29Å; W525-V534 WeakPolarHBondContact CA-O 3.43Å; W525-I535 HydrophobicContact CB-CG2 4.29Å; W525-L649 HydrophobicContact CH2-CD1 4.23Å; W525-L649 HydrophobicContact CZ3-CD1 4.31Å; W525-V966 HydrophobicContact CH2-CG1 4.02Å; W525-V966 HydrophobicContact CZ2-CG1 3.71Å; W525-V968 HydrophobicContact CH2-CG2 3.77Å; W525-V968 HydrophobicContact CZ2-CG2 4.14Å; W525-V968 HydrophobicContact CZ3-CG2 4.4Å
526F91.7Very high85.9Confident0 Ų029.3 Ų29.30%014%0.135CC..EExtended strand (participates in β ladder)trans-153.5166.5162.168.9-70.8000109.9V534 E585 M589 V968 A970 P971 A974F526-V534 HydrophobicContact CD1-CB 3.79Å; F526-V534 HydrophobicContact CD1-CG1 4.27Å; F526-V534 HydrophobicContact CD1-CG2 4.45Å; F526-V534 HydrophobicContact CE1-CB 3.46Å; F526-V534 VanDerWaalsContact CE1-CB 3.46Å; F526-V534 HydrophobicContact CE1-CG1 3.61Å; F526-V534 HydrophobicContact CE1-CG2 3.89Å; F526-V534 HydrophobicContact CE2-CG2 4.31Å; F526-V534 HydrophobicContact CZ-CB 3.92Å; F526-V534 HydrophobicContact CZ-CG1 4.2Å; F526-V534 HydrophobicContact CZ-CG2 3.79Å; F526-V534 PolarHBondContact N-O 2.74Å; F526-V534 PolarHBondContact O-N 3.37Å; F526-E585 HydrophobicContact CE2-CB 3.8Å; F526-E585 HydrophobicContact CZ-CB 3.8Å; F526-M589 HydrophobicContact CB-CE 4.37Å; F526-M589 HydrophobicContact CD1-CE 3.21Å; F526-M589 HydrophobicContact CD1-SD 3.66Å; F526-M589 HydrophobicContact CE1-CB 4.09Å; F526-M589 HydrophobicContact CE1-CE 3.67Å; F526-M589 HydrophobicContact CE1-SD 3.74Å; F526-M589 HydrophobicContact CG-CE 4.04Å; F526-V968 HydrophobicContact CB-CG1 4.36Å; F526-A970 HydrophobicContact CB-CB 3.49Å; F526-A970 VanDerWaalsContact CB-CB 3.49Å; F526-A970 HydrophobicContact CD2-CB 3.8Å; F526-A970 HydrophobicContact CG-CB 3.78Å; F526-P971 HydrophobicContact CE1-CG 4.5Å; F526-P971 HydrophobicContact CE2-CG 4.12Å; F526-P971 HydrophobicContact CZ-CG 3.98Å; F526-A974 HydrophobicContact CD2-CB 3.88Å; F526-A974 HydrophobicContact CE2-CB 3.99Å
527I89.2Confident87Confident0 Ų021.7 Ų21.70%010%0.102CC..EExtended strand (participates in β ladder)trans-97.8129.1164-47.6176.4000105.6W525 Y532 L649 L949 L952W525-I527 HydrophobicContact CZ3-CG1 4.12Å; I527-Y532 WeakPolarHBondContact CA-O 3.3Å; I527-L649 HydrophobicContact CD1-CD1 3.66Å; I527-L649 HydrophobicContact CG1-CD1 4.32Å; I527-L949 HydrophobicContact CD1-CD2 3.48Å; I527-L949 VanDerWaalsContact CD1-CD2 3.48Å; I527-L949 HydrophobicContact CG1-CD2 3.66Å; I527-L949 HydrophobicContact CG2-CD2 4.35Å; I527-L952 HydrophobicContact CD1-CD1 4.33Å
528S88.6Confident87.7Confident0 Ų020.6 Ų20.60%09%0.089CC..  trans-67.4172.1175.872.70000111.8E530 N531 Y532 T582 E585S528-E530 PolarHBondContact O-N 2.76Å; S528-E530 PolarHBondContact OG-N 2.75Å; S528-N531 PolarHBondContact O-N 3.14Å; S528-Y532 PolarHBondContact N-O 2.77Å; S528-Y532 PolarHBondContact OG-N 2.66Å; S528-T582 WeakPolarHBondContact CB-OG1 3.34Å; S528-T582 PolarHBondContact OG-OG1 3.27Å; S528-E585 WeakPolarHBondContact CA-OE2 3.14Å; S528-E585 WeakPolarHBondContact CB-OE2 3.42Å
529S85.4Confident88Confident10 Ų1023.7 Ų23.77%0.0711%0.107CC..THydrogen-bonded Turntrans-59-15.5171.259.80000113.9R581 E585 R664S529-R581 WeakPolarHBondContact OG-CD 3.14Å; S529-R581 PolarHBondContact OG-NE 3.3Å; S529-E585 PolarHBondContact N-OE2 3.09Å; S529-R664 WeakPolarHBondContact O-CA 3.44Å; S529-R664 WeakPolarHBondContact O-CB 3.26Å
530E83.9Confident88.2Confident19 Ų1924.5 Ų24.59%0.08912%0.115CC..THydrogen-bonded Turntrans-114.524.3-173.4-61.5161.6136.900111.7S528 Y532 P579 R581 T582 R664 V666S528-E530 PolarHBondContact O-N 2.76Å; S528-E530 PolarHBondContact OG-N 2.75Å; E530-Y532 VanDerWaalsContact C-N 3.25Å; E530-Y532 HydrophobicContact CB-CD2 4Å; E530-Y532 HydrophobicContact CB-CE2 4.24Å; E530-Y532 VanDerWaalsContact O-CD2 3.27Å; E530-Y532 WeakPolarHBondContact O-CD2 3.32Å; E530-Y532 PolarHBondContact O-N 2.8Å; E530-Y532 VanDerWaalsContact O-N 3.15Å; E530-P579 WeakPolarHBondContact OE1-CB 3.22Å; E530-R581 WeakPolarHBondContact OE1-CB 3.2Å; E530-T582 WeakPolarHBondContact OE2-CB 3.26Å; E530-T582 PolarHBondContact OE2-N 3.22Å; E530-T582 PolarHBondContact OE2-OG1 3.43Å; E530-R664 CarbonylContact C-O 3.57Å; E530-R664 VanDerWaalsContact CA-O 3.3Å; E530-R664 WeakPolarHBondContact CA-O 3.44Å; E530-V666 HydrophobicContact CB-CG2 4.2Å
531N84.2Confident88.4Confident45 Ų4532 Ų3224%0.24115%0.15CC..SBendtrans665177-155.952.5000117.3S528 R664S528-N531 PolarHBondContact O-N 3.14Å; N531-R664 HydrophobicContact CB-CB 3.97Å; N531-R664 WeakPolarHBondContact CB-O 3.46Å; N531-R664 PolarHBondContact N-O 2.88Å
532Y87.4Confident88.7Confident28 Ų2832.7 Ų32.711%0.1115%0.153CC..  trans-73.1134.9174.9-69.1-90000111.8I527 S528 E530 I570 V578 P579 T582 V666I527-Y532 WeakPolarHBondContact CA-O 3.3Å; S528-Y532 PolarHBondContact N-O 2.77Å; S528-Y532 PolarHBondContact OG-N 2.66Å; E530-Y532 VanDerWaalsContact C-N 3.25Å; E530-Y532 HydrophobicContact CB-CD2 4Å; E530-Y532 HydrophobicContact CB-CE2 4.24Å; E530-Y532 VanDerWaalsContact O-CD2 3.27Å; E530-Y532 WeakPolarHBondContact O-CD2 3.32Å; E530-Y532 PolarHBondContact O-N 2.8Å; E530-Y532 VanDerWaalsContact O-N 3.15Å; Y532-I570 HydrophobicContact CD1-CG2 4.35Å; Y532-I570 HydrophobicContact CG-CG2 4.47Å; Y532-V578 HydrophobicContact CE1-CG2 4.29Å; Y532-P579 HydrophobicContact CE2-CG 4.2Å; Y532-T582 HydrophobicContact CD2-CG2 4.23Å; Y532-T582 HydrophobicContact CG-CG2 4.2Å; Y532-V666 HydrophobicContact CE2-CG2 4.41Å
533L89.6Confident88.9Confident8 Ų828.5 Ų28.54%0.04214%0.135CC..EExtended strand (participates in β ladder)trans-81.7116.3173.417563.1000110.3W519 F520 W525 I535 K571 L949W519-L533 HydrophobicContact CZ2-CD2 4.18Å; F520-L533 HydrophobicContact CB-CD1 4.45Å; F520-L533 HydrophobicContact CB-CD2 4.28Å; F520-L533 HydrophobicContact CD1-CD1 4.25Å; F520-L533 HydrophobicContact CD1-CD2 3.66Å; F520-L533 HydrophobicContact CD2-CD1 4.2Å; F520-L533 HydrophobicContact CE1-CD2 4.18Å; F520-L533 HydrophobicContact CG-CD1 4.07Å; F520-L533 HydrophobicContact CG-CD2 4.09Å; W525-L533 HydrophobicContact CE3-CD1 4.29Å; L533-I535 HydrophobicContact CD1-CG2 4.34Å; L533-I535 HydrophobicContact CG-CG2 4.21Å; L533-K571 HydrophobicContact CB-CB 4.3Å; L533-K571 WeakPolarHBondContact O-CB 3.4Å; L533-K571 PolarHBondContact O-N 2.84Å; L533-L949 HydrophobicContact CB-CD1 4.32Å; L533-L949 HydrophobicContact CB-CD2 4.47Å
534V91.7Very high88.8Confident0 Ų030.6 Ų30.60%015%0.145CC..EExtended strand (participates in β ladder)trans-106.6131.4175.3-170.90000109.4W525 F526 I570 T582 A586W525-V534 WeakPolarHBondContact CA-O 3.43Å; F526-V534 HydrophobicContact CD1-CB 3.79Å; F526-V534 HydrophobicContact CD1-CG1 4.27Å; F526-V534 HydrophobicContact CD1-CG2 4.45Å; F526-V534 HydrophobicContact CE1-CB 3.46Å; F526-V534 VanDerWaalsContact CE1-CB 3.46Å; F526-V534 HydrophobicContact CE1-CG1 3.61Å; F526-V534 HydrophobicContact CE1-CG2 3.89Å; F526-V534 HydrophobicContact CE2-CG2 4.31Å; F526-V534 HydrophobicContact CZ-CB 3.92Å; F526-V534 HydrophobicContact CZ-CG1 4.2Å; F526-V534 HydrophobicContact CZ-CG2 3.79Å; F526-V534 PolarHBondContact N-O 2.74Å; F526-V534 PolarHBondContact O-N 3.37Å; V534-I570 HydrophobicContact CG1-CG1 4.27Å; V534-I570 HydrophobicContact CG2-CG1 4.14Å; V534-I570 HydrophobicContact CG2-CG2 4.42Å; V534-T582 HydrophobicContact CG2-CG2 4.48Å; V534-A586 HydrophobicContact CG1-CB 3.97Å
535I93.3Very high88.7Confident0 Ų034 Ų340%016%0.162CC..EExtended strand (participates in β ladder)trans-123.9144179.260.7175.6000111.5W519 F520 L524 W525 L533 I546 Y550 C568 V569 K571W519-I535 HydrophobicContact CH2-CD1 4.1Å; W519-I535 HydrophobicContact CZ3-CD1 4.13Å; F520-I535 HydrophobicContact CB-CG2 3.93Å; L524-I535 CarbonylContact O-C 3.6Å; L524-I535 WeakPolarHBondContact O-CA 3.46Å; W525-I535 HydrophobicContact CB-CG2 4.29Å; L533-I535 HydrophobicContact CD1-CG2 4.34Å; L533-I535 HydrophobicContact CG-CG2 4.21Å; I535-I546 HydrophobicContact CD1-CG1 4.4Å; I535-I546 HydrophobicContact CD1-CG2 4.02Å; I535-I546 HydrophobicContact CG1-CG2 4.25Å; I535-Y550 HydrophobicContact CD1-CG 4.5Å; I535-C568 CarbonylContact O-C 3.49Å; I535-C568 WeakPolarHBondContact O-CA 3.49Å; I535-V569 HydrophobicContact CG1-CB 4.11Å; I535-V569 PolarHBondContact N-O 3.29Å; I535-V569 PolarHBondContact O-N 3.48Å; I535-K571 HydrophobicContact CD1-CD 4.48Å
536A91.9Very high88.5Confident0 Ų033.9 Ų33.90%016%0.161CC..EExtended strand (participates in β ladder)trans-145.6145.2177.900000113F523 L524 I546 S567 C568 M589F523-A536 WeakPolarHBondContact CB-O 3.42Å; L524-A536 WeakPolarHBondContact CA-O 3.5Å; L524-A536 HydrophobicContact CB-CB 4.17Å; L524-A536 WeakPolarHBondContact CB-O 3.17Å; L524-A536 PolarHBondContact N-O 2.85Å; L524-A536 PolarHBondContact O-N 3.18Å; A536-I546 VanDerWaalsContact C-CD1 3.41Å; A536-S567 VanDerWaalsContact CA-O 3.29Å; A536-S567 WeakPolarHBondContact CA-O 3.22Å; A536-C568 HydrophobicContact CB-CB 4.34Å; A536-C568 VanDerWaalsContact CB-SG 3.56Å; A536-M589 HydrophobicContact CB-SD 4.28Å
537G90.4Very high88.3Confident0 Ų035 Ų350%017%0.168CC..  trans-81.4144.8-178.400000112.6N543 T566 S567G537-N543 VanDerWaalsContact CA-OD1 3.24Å; G537-N543 WeakPolarHBondContact CA-OD1 3.37Å; G537-T566 WeakPolarHBondContact O-CB 3.45Å; G537-T566 WeakPolarHBondContact O-CG2 3.33Å; G537-S567 PolarHBondContact N-O 2.75Å
538R87.8Confident88.1Confident65 Ų6544 Ų4425%0.24521%0.208CC..SBendtrans-85.8-25.2171.2-65.2-176.4-161.372.6-3.6113.9K522 F523 L524 Q542 N1027K522-R538 PolarHBondContact O-NH1 2.97Å; F523-R538 VanDerWaalsContact C-CZ 3.5Å; F523-R538 VanDerWaalsContact C-NH2 3.33Å; F523-R538 PolarHBondContact O-NH1 2.71Å; F523-R538 PolarHBondContact O-NH2 3.09Å; L524-R538 HydrophobicContact CD1-CG 3.93Å; L524-R538 HydrophobicContact CD2-CG 3.94Å; L524-R538 HydrophobicContact CG-CG 3.58Å; R538-Q542 VanDerWaalsContact N-OE1 3.16Å; R538-N1027 PolarHBondContact NH2-OD1 2.95Å
539D87.6Confident87.9Confident93 Ų9348.8 Ų48.850%0.49723%0.226SC..SBendtrans-134.6158.2-173.6-42.9-68.6000109.2Q541 Q542 N543D539-Q541 PolarHBondContact O-N 2.81Å; D539-Q541 VanDerWaalsContact O-N 3.14Å; D539-Q542 HydrophobicContact CB-CG 4.27Å; D539-Q542 WeakPolarHBondContact O-CA 3.44Å; D539-Q542 WeakPolarHBondContact O-CB 3.29Å; D539-Q542 PolarHBondContact O-N 3.13Å; D539-Q542 PolarHBondContact OD2-NE2 3.4Å; D539-N543 PolarHBondContact O-N 3.01Å; D539-N543 PolarHBondContact O-OD1 2.82Å
540Q86.8Confident87.9Confident111 Ų11150.2 Ų50.252%0.51923%0.23SC..Hα-helixtrans-50.5-40.7176.1-69.2175-0.700113.2Q542 N543 E544 T625 G626Q540-Q542 VanDerWaalsContact C-N 3.31Å; Q540-Q542 PolarHBondContact O-N 3.25Å; Q540-N543 PolarHBondContact O-N 2.87Å; Q540-E544 PolarHBondContact O-N 3.36Å; Q540-T625 WeakPolarHBondContact CB-O 3.42Å; Q540-T625 VanDerWaalsContact CG-O 3.3Å; Q540-T625 WeakPolarHBondContact CG-O 3.32Å; Q540-T625 PolarHBondContact OE1-O 3.27Å; Q540-T625 PolarHBondContact OE1-OG1 3.35Å; Q540-G626 WeakPolarHBondContact O-CA 3.44Å
541Q88.1Confident88.1Confident165 Ų16550.7 Ų50.777%0.77123%0.233SC*.Hα-helixtrans-67.6-28.5176.3-64.2-176.60.600113.3D539 M545D539-Q541 PolarHBondContact O-N 2.81Å; D539-Q541 VanDerWaalsContact O-N 3.14Å; Q541-M545 WeakPolarHBondContact O-CB 3.41Å; Q541-M545 PolarHBondContact O-N 3.25Å
542Q89.2Confident88.2Confident34 Ų3453.7 Ų53.716%0.15924%0.24CC..Hα-helixtrans-75.8-40.5173.7-60.2-171.224.300110.7F523 R538 D539 Q540 E544 M545 I546F523-Q542 HydrophobicContact CD1-CB 4.15Å; F523-Q542 HydrophobicContact CE1-CB 4.18Å; R538-Q542 VanDerWaalsContact N-OE1 3.16Å; D539-Q542 HydrophobicContact CB-CG 4.27Å; D539-Q542 WeakPolarHBondContact O-CA 3.44Å; D539-Q542 WeakPolarHBondContact O-CB 3.29Å; D539-Q542 PolarHBondContact O-N 3.13Å; D539-Q542 PolarHBondContact OD2-NE2 3.4Å; Q540-Q542 VanDerWaalsContact C-N 3.31Å; Q540-Q542 PolarHBondContact O-N 3.25Å; Q542-E544 PolarHBondContact O-N 3.19Å; Q542-M545 PolarHBondContact O-N 2.87Å; Q542-M545 VanDerWaalsContact O-N 3.16Å; Q542-I546 WeakPolarHBondContact O-CG1 3.5Å; Q542-I546 PolarHBondContact O-N 2.99Å
543N89.1Confident87.9Confident12 Ų1257 Ų576%0.06427%0.268CS..Hα-helixtrans-57.3-48174-654.7000110.9G537 D539 Q540 M545 I546 V547 S567 F628G537-N543 VanDerWaalsContact CA-OD1 3.24Å; G537-N543 WeakPolarHBondContact CA-OD1 3.37Å; D539-N543 PolarHBondContact O-N 3.01Å; D539-N543 PolarHBondContact O-OD1 2.82Å; Q540-N543 PolarHBondContact O-N 2.87Å; N543-M545 VanDerWaalsContact C-N 3.32Å; N543-M545 PolarHBondContact O-N 3Å; N543-I546 PolarHBondContact O-N 3.06Å; N543-V547 PolarHBondContact O-N 2.98Å; N543-S567 PolarHBondContact ND2-OG 3.14Å; N543-F628 HydrophobicContact CB-CE2 4.16Å; N543-F628 HydrophobicContact CB-CZ 4.37Å
544E87.5Confident87.7Confident44 Ų4457.8 Ų57.821%0.20628%0.278CS..Hα-helixtrans-61.9-37175.6-70.8-164.9-161.700113.3Q540 Q542 K548 K615 T625 G626 F628Q540-E544 PolarHBondContact O-N 3.36Å; Q542-E544 PolarHBondContact O-N 3.19Å; E544-K548 WeakPolarHBondContact O-CB 3.44Å; E544-K548 PolarHBondContact O-N 2.79Å; E544-K615 VanDerWaalsContact CD-NZ 3.31Å; E544-K615 IonicContact OE1-NZ 2.98Å; E544-K615 IonicContact OE2-NZ 3.77Å; E544-K615 PolarHBondContact OE2-NZ 3.45Å; E544-T625 WeakPolarHBondContact OE1-CA 3.14Å; E544-T625 WeakPolarHBondContact OE1-CB 3.43Å; E544-G626 PolarHBondContact OE1-N 3.22Å; E544-F628 HydrophobicContact CG-CZ 4.34Å
545M86.9Confident87.6Confident77 Ų7757.8 Ų57.838%0.37928%0.278SS..Hα-helixtrans-68.9-38.2178.5-172.7171.4-67.400112.2K522 F523 Q541 Q542 N543 R549 Y550K522-M545 PolarHBondContact NZ-SD 3.25Å; F523-M545 HydrophobicContact CE1-SD 4.47Å; F523-M545 HydrophobicContact CZ-CG 4.2Å; F523-M545 HydrophobicContact CZ-SD 4.15Å; Q541-M545 WeakPolarHBondContact O-CB 3.41Å; Q541-M545 PolarHBondContact O-N 3.25Å; Q542-M545 PolarHBondContact O-N 2.87Å; Q542-M545 VanDerWaalsContact O-N 3.16Å; N543-M545 VanDerWaalsContact C-N 3.32Å; N543-M545 PolarHBondContact O-N 3Å; M545-R549 PolarHBondContact O-N 2.84Å; M545-Y550 HydrophobicContact CG-CE2 4.26Å
546I89.1Confident87.6Confident0 Ų058.2 Ų58.20%028%0.28CS..Hα-helixtrans-63.6-54.4174.7-70167.6000109.9F523 I535 A536 Q542 N543 K548 Y550 L551 V569F523-I546 HydrophobicContact CB-CD1 4.35Å; F523-I546 HydrophobicContact CD1-CD1 3.71Å; F523-I546 HydrophobicContact CD1-CG1 3.85Å; F523-I546 HydrophobicContact CD2-CG1 4.4Å; F523-I546 HydrophobicContact CE1-CD1 4.11Å; F523-I546 HydrophobicContact CE1-CG1 3.75Å; F523-I546 HydrophobicContact CE2-CG1 4.32Å; F523-I546 HydrophobicContact CG-CD1 3.98Å; F523-I546 HydrophobicContact CG-CG1 4.17Å; F523-I546 HydrophobicContact CZ-CG1 3.99Å; I535-I546 HydrophobicContact CD1-CG1 4.4Å; I535-I546 HydrophobicContact CD1-CG2 4.02Å; I535-I546 HydrophobicContact CG1-CG2 4.25Å; A536-I546 VanDerWaalsContact C-CD1 3.41Å; Q542-I546 WeakPolarHBondContact O-CG1 3.5Å; Q542-I546 PolarHBondContact O-N 2.99Å; N543-I546 PolarHBondContact O-N 3.06Å; I546-K548 VanDerWaalsContact C-N 3.33Å; I546-K548 PolarHBondContact O-N 3.32Å; I546-Y550 WeakPolarHBondContact O-CA 3.34Å; I546-Y550 WeakPolarHBondContact O-CB 3.37Å; I546-Y550 PolarHBondContact O-N 2.87Å; I546-L551 PolarHBondContact O-N 3.03Å; I546-V569 HydrophobicContact CG2-CB 4Å; I546-V569 HydrophobicContact CG2-CG2 3.54Å
547V87.1Confident87.7Confident23 Ų2358.4 Ų58.414%0.13928%0.281CS..Hα-helixtrans-67.6-29.4-177.5176.70000112.6N543 L551 Y557 V613 F628N543-V547 PolarHBondContact O-N 2.98Å; V547-L551 HydrophobicContact CG1-CD2 4.02Å; V547-Y557 HydrophobicContact CG2-CD2 4.06Å; V547-Y557 HydrophobicContact CG2-CE2 3.69Å; V547-V613 HydrophobicContact CG1-CG1 3.9Å; V547-F628 HydrophobicContact CB-CD1 4.3Å; V547-F628 HydrophobicContact CB-CE1 3.61Å; V547-F628 HydrophobicContact CB-CE2 4.42Å; V547-F628 HydrophobicContact CB-CZ 3.69Å; V547-F628 HydrophobicContact CG1-CD1 3.84Å; V547-F628 HydrophobicContact CG1-CE1 3.6Å; V547-F628 HydrophobicContact CG1-CZ 4.16Å; V547-F628 HydrophobicContact CG2-CD1 4.41Å; V547-F628 HydrophobicContact CG2-CD2 4.31Å; V547-F628 HydrophobicContact CG2-CE1 3.88Å; V547-F628 HydrophobicContact CG2-CE2 3.78Å; V547-F628 HydrophobicContact CG2-CZ 3.54Å
548K84.4Confident87.8Confident191 Ų19158.4 Ų58.483%0.8328%0.281SS*.Hα-helixtrans-81.9-41.7177.3-168.1-176.1176.8-163.90114.3E544 I546E544-K548 WeakPolarHBondContact O-CB 3.44Å; E544-K548 PolarHBondContact O-N 2.79Å; I546-K548 VanDerWaalsContact C-N 3.33Å; I546-K548 PolarHBondContact O-N 3.32Å
549R84.9Confident88.1Confident100 Ų10057 Ų5738%0.37728%0.277SS..Hα-helixtrans-108.7-22.4-170.5-167.2177.1-176.5-166.83.6114.4D45 M545 D938D45-R549 IonicContact OD1-NH2 2.76Å; M545-R549 PolarHBondContact O-N 2.84Å; R549-D938 IonicContact CZ-OD1 2.66Å; R549-D938 IonicContact CZ-OD2 3.61Å; R549-D938 IonicContact NE-OD1 2.88Å; R549-D938 IonicContact NE-OD2 3.42Å; R549-D938 PolarHBondContact NE-OD2 2.93Å; R549-D938 IonicContact NH2-OD1 3.3Å; R549-D938 PolarHBondContact NH2-OD1 3.47Å; R549-D938 IonicContact NH2-OD2 3.61Å; R549-D938 PolarHBondContact NH2-OD2 2.93Å
550Y85.9Confident88.2Confident40 Ų4052.6 Ų52.616%0.15725%0.254CS..THydrogen-bonded Turntrans-117.3-20.3-168.5-63.3-76.8000114.9W519 F523 I535 M545 I546 R552 K571W519-Y550 HydrophobicContact CD2-CE1 4.1Å; W519-Y550 AromaticContact CE3-CD1 3.88Å; W519-Y550 HydrophobicContact CE3-CD1 3.88Å; W519-Y550 AromaticContact CE3-CE1 3.42Å; W519-Y550 HydrophobicContact CE3-CE1 3.42Å; W519-Y550 VanDerWaalsContact CE3-CE1 3.42Å; W519-Y550 AromaticContact CE3-CZ 3.92Å; W519-Y550 AromaticContact CH2-CD1 3.66Å; W519-Y550 HydrophobicContact CH2-CD1 3.66Å; W519-Y550 HydrophobicContact CH2-CE1 4.05Å; W519-Y550 HydrophobicContact CH2-CG 4.41Å; W519-Y550 HydrophobicContact CZ2-CD1 4.46Å; W519-Y550 AromaticContact CZ3-CD1 3.32Å; W519-Y550 HydrophobicContact CZ3-CD1 3.32Å; W519-Y550 AromaticContact CZ3-CE1 3.4Å; W519-Y550 HydrophobicContact CZ3-CE1 3.4Å; W519-Y550 VanDerWaalsContact CZ3-CE1 3.4Å; W519-Y550 AromaticContact CZ3-CG 3.96Å; W519-Y550 HydrophobicContact CZ3-CG 3.96Å; F523-Y550 HydrophobicContact CE2-CD2 4.12Å; F523-Y550 AromaticContact CE2-CE2 3.79Å; F523-Y550 HydrophobicContact CE2-CE2 3.79Å; F523-Y550 HydrophobicContact CZ-CD2 4.18Å; F523-Y550 AromaticContact CZ-CE2 3.81Å; F523-Y550 HydrophobicContact CZ-CE2 3.81Å; I535-Y550 HydrophobicContact CD1-CG 4.5Å; M545-Y550 HydrophobicContact CG-CE2 4.26Å; I546-Y550 WeakPolarHBondContact O-CA 3.34Å; I546-Y550 WeakPolarHBondContact O-CB 3.37Å; I546-Y550 PolarHBondContact O-N 2.87Å; Y550-R552 PolarHBondContact O-N 2.98Å; Y550-K571 PolarHBondContact O-NZ 3.35Å
551L87.4Confident88.3Confident28 Ų2852 Ų5215%0.14725%0.254CS..  trans-78.7109.7168.8-174.972.8000109.6I546 V547 D555 V569 H610 V613I546-L551 PolarHBondContact O-N 3.03Å; V547-L551 HydrophobicContact CG1-CD2 4.02Å; L551-D555 WeakPolarHBondContact CA-OD2 3.37Å; L551-D555 HydrophobicContact CD1-CB 3.69Å; L551-V569 HydrophobicContact CD1-CG1 3.71Å; L551-V569 HydrophobicContact CD1-CG2 3.95Å; L551-H610 HydrophobicContact CD1-CB 4.14Å; L551-H610 HydrophobicContact CD2-CB 4.35Å; L551-H610 HydrophobicContact CG-CB 4.02Å; L551-V613 HydrophobicContact CD2-CB 4.27Å; L551-V613 HydrophobicContact CD2-CG2 4.4Å
552R86.2Confident88.2Confident108 Ų10846.5 Ų46.541%0.40823%0.229SC..  trans-110.7179.2177.7-63.6-167.6178.5-159.40.5110.4Y550 D555 H610 D938 N939Y550-R552 PolarHBondContact O-N 2.98Å; R552-D555 PolarHBondContact N-OD2 3.1Å; R552-D555 PolarHBondContact O-N 3.06Å; R552-H610 VanDerWaalsContact O-CB 3.25Å; R552-H610 WeakPolarHBondContact O-CB 3.12Å; R552-D938 PolarHBondContact NH2-O 3.13Å; R552-N939 PolarHBondContact NH1-OD1 2.88Å
553S81.8Confident88Confident97 Ų9753 Ų5368%0.67826%0.259SS*.THydrogen-bonded Turntrans-57.9147.2167.3-155.90000110.7D555 H610S553-D555 PolarHBondContact O-N 2.9Å; S553-H610 PolarHBondContact OG-CE1 2.6Å
554G84.5Confident87.8Confident25 Ų2554.9 Ų54.926%0.25828%0.281SS..THydrogen-bonded Turntrans80.9-23.6-176.500000116N572G554-N572 WeakPolarHBondContact O-CB 3.5Å; G554-N572 PolarHBondContact O-ND2 3.36Å
555D90.8Very high87.8Confident1 Ų153.2 Ų53.21%0.00528%0.275CS..  trans-69.8152.9176.8-69.2-30.4000113L551 R552 S553 V569 K571 N572 H610L551-D555 WeakPolarHBondContact CA-OD2 3.37Å; L551-D555 HydrophobicContact CD1-CB 3.69Å; R552-D555 PolarHBondContact N-OD2 3.1Å; R552-D555 PolarHBondContact O-N 3.06Å; S553-D555 PolarHBondContact O-N 2.9Å; D555-V569 HydrophobicContact CB-CG1 4.15Å; D555-K571 WeakPolarHBondContact OD1-CA 3.37Å; D555-K571 WeakPolarHBondContact OD1-CE 3.44Å; D555-K571 IonicContact OD1-NZ 2.59Å; D555-K571 PolarHBondContact OD1-NZ 3.45Å; D555-K571 IonicContact OD2-NZ 2.57Å; D555-K571 PolarHBondContact OD2-NZ 2.96Å; D555-N572 PolarHBondContact OD1-N 3.19Å; D555-H610 PolarHBondContact O-N 3.38Å
556I92.3Very high87.9Confident9 Ų949.9 Ų49.95%0.04626%0.26CS..EExtended strand (participates in β ladder)trans-109.7134.2174.5-62.5-177.9000110.7V558 V569 I570 V578 L583 W607I556-V558 HydrophobicContact CG2-CG2 4.05Å; I556-V569 WeakPolarHBondContact O-CA 3.21Å; I556-I570 HydrophobicContact CB-CB 4.49Å; I556-I570 HydrophobicContact CB-CD1 4.41Å; I556-I570 HydrophobicContact CG2-CD1 4.38Å; I556-I570 PolarHBondContact N-O 2.94Å; I556-I570 PolarHBondContact O-N 3.17Å; I556-V578 HydrophobicContact CD1-CB 3.79Å; I556-V578 HydrophobicContact CD1-CG2 3.67Å; I556-V578 HydrophobicContact CG1-CG2 4.31Å; I556-L583 HydrophobicContact CD1-CD2 4.2Å; I556-L583 HydrophobicContact CG2-CD2 4.03Å; I556-W607 HydrophobicContact CD1-CE3 4.28Å; I556-W607 HydrophobicContact CD1-CZ3 4.24Å; I556-W607 HydrophobicContact CG2-CB 3.91Å; I556-W607 HydrophobicContact CG2-CD2 4.23Å; I556-W607 HydrophobicContact CG2-CE3 3.74Å; I556-W607 HydrophobicContact CG2-CG 4.35Å
557Y93.8Very high87.9Confident4 Ų449.9 Ų49.92%0.01626%0.26CS..EExtended strand (participates in β ladder)trans-100130.8173.6178.5-86.1000110.2V547 H559 S567 V569 W606 W607 V608 V613 F628 I630V547-Y557 HydrophobicContact CG2-CD2 4.06Å; V547-Y557 HydrophobicContact CG2-CE2 3.69Å; Y557-H559 HydrophobicContact CD1-CB 4.45Å; Y557-H559 HydrophobicContact CE1-CB 3.62Å; Y557-S567 WeakPolarHBondContact OH-CB 3.47Å; Y557-S567 PolarHBondContact OH-OG 2.82Å; Y557-V569 HydrophobicContact CD2-CG2 4.02Å; Y557-W606 HydrophobicContact CD1-CH2 4.44Å; Y557-W606 HydrophobicContact CD1-CZ3 4.03Å; Y557-W606 AromaticContact CE1-CH2 3.9Å; Y557-W606 HydrophobicContact CE1-CH2 3.9Å; Y557-W606 AromaticContact CE1-CZ3 3.95Å; Y557-W606 HydrophobicContact CE1-CZ3 3.95Å; Y557-W607 CarbonylContact O-C 3.49Å; Y557-W607 VanDerWaalsContact O-CA 3.22Å; Y557-W607 WeakPolarHBondContact O-CA 3.17Å; Y557-V608 HydrophobicContact CD1-CG2 3.97Å; Y557-V608 PolarHBondContact N-O 3.25Å; Y557-V608 PolarHBondContact O-N 3.28Å; Y557-V613 HydrophobicContact CD1-CG2 4.02Å; Y557-V613 HydrophobicContact CD2-CG2 4.24Å; Y557-V613 HydrophobicContact CG-CG2 3.74Å; Y557-F628 HydrophobicContact CE2-CD2 4.36Å; Y557-I630 HydrophobicContact CE1-CD1 4.35Å
558V93.6Very high88.2Confident0 Ų048.8 Ų48.80%025%0.253CS..EExtended strand (participates in β ladder)trans-126.7136-177.3-171.10000110.1I556 C568 I570 A586 A587 W606 W607I556-V558 HydrophobicContact CG2-CG2 4.05Å; V558-C568 HydrophobicContact CB-CB 4.1Å; V558-C568 PolarHBondContact N-O 3.42Å; V558-C568 WeakPolarHBondContact O-CB 3.39Å; V558-C568 PolarHBondContact O-N 3.39Å; V558-I570 HydrophobicContact CG2-CD1 3.79Å; V558-I570 HydrophobicContact CG2-CG1 4.26Å; V558-A586 HydrophobicContact CB-CB 4.3Å; V558-A586 HydrophobicContact CG1-CB 4.34Å; V558-A586 HydrophobicContact CG2-CB 4.02Å; V558-A587 HydrophobicContact CG1-CB 4.39Å; V558-W606 WeakPolarHBondContact CA-O 3.23Å; V558-W607 HydrophobicContact CG2-CB 3.91Å
559H92.5Very high88.6Confident36 Ų3639.7 Ų39.717%0.16721%0.213CC..EExtended strand (participates in β ladder)trans-156.6160.7-176.5-169.9-96.3000111.4Y557 A605 W606Y557-H559 HydrophobicContact CD1-CB 4.45Å; Y557-H559 HydrophobicContact CE1-CB 3.62Å; H559-A605 WeakPolarHBondContact O-CB 3.27Å; H559-W606 HydrophobicContact CB-CH2 3.69Å; H559-W606 HydrophobicContact CB-CZ2 3.72Å; H559-W606 HydrophobicContact CB-CZ3 4.11Å; H559-W606 AromaticContact CG-CZ2 3.96Å; H559-W606 PolarHBondContact N-O 3.47Å; H559-W606 AromaticContact ND1-CZ2 3.52Å; H559-W606 PolarHBondContact O-N 3.21Å; H559-W606 VanDerWaalsContact O-O 3.05Å
560A91.1Very high89Confident0 Ų035 Ų350%020%0.195CC..  trans-117.7144.1174.800000110.1L562 A565 V591 A605A560-L562 HydrophobicContact CB-CD1 4.33Å; A560-L562 PolarHBondContact O-N 2.58Å; A560-A565 HydrophobicContact CB-CB 4.3Å; A560-A565 WeakPolarHBondContact O-CB 3.31Å; A560-V591 HydrophobicContact CB-CG2 3.92Å; A560-A605 HydrophobicContact CB-CB 4.23Å
561D88.2Confident89.2Confident97 Ų9734.9 Ų34.952%0.51920%0.196SC..SBendtrans-7859.9178.6-69.7-33.7000111.4W606 K634D561-W606 PolarHBondContact OD1-NE1 3.27Å; D561-W606 PolarHBondContact OD2-NE1 3.39Å; D561-K634 IonicContact OD1-NZ 2.81Å; D561-K634 PolarHBondContact OD1-NZ 3.14Å; D561-K634 IonicContact OD2-NZ 2.7Å; D561-K634 PolarHBondContact OD2-NZ 3.02Å
562L85.8Confident89.1Confident50 Ų5034 Ų3426%0.26219%0.191SC..SBendtrans-132.7146.8-175-75175.1000111.6A560 G564 A565 V591 S594 A596 T603A560-L562 HydrophobicContact CB-CD1 4.33Å; A560-L562 PolarHBondContact O-N 2.58Å; L562-G564 PolarHBondContact O-N 3.28Å; L562-A565 HydrophobicContact CB-CB 4.3Å; L562-A565 WeakPolarHBondContact O-CB 3.21Å; L562-A565 PolarHBondContact O-N 2.84Å; L562-V591 HydrophobicContact CD1-CG1 4.39Å; L562-S594 WeakPolarHBondContact CD1-OG 2.96Å; L562-A596 HydrophobicContact CD1-CB 3.65Å; L562-T603 HydrophobicContact CD1-CG2 4.13Å; L562-T603 WeakPolarHBondContact CD1-OG1 3.41Å; L562-T603 HydrophobicContact CD2-CG2 4.3Å
563H85.3Confident88.5Confident171 Ų17132.6 Ų32.679%0.79220%0.196SC*.THydrogen-bonded Turntrans-64.4129.7176.5-170.578.5000111.2A565 A595H563-A565 VanDerWaalsContact C-N 3.26Å; H563-A565 PolarHBondContact O-N 2.64Å; H563-A595 VanDerWaalsContact O-CB 3.31Å; H563-A595 WeakPolarHBondContact O-CB 3.25Å; H563-A595 PolarHBondContact O-N 2.95Å; H563-A595 VanDerWaalsContact O-N 3.13Å
564G84Confident88.1Confident51 Ų5131.2 Ų31.253%0.52619%0.187SC..THydrogen-bonded Turntrans71.213-178.200000115.1L562L562-G564 PolarHBondContact O-N 3.28Å
565A87.9Confident87.4Confident9 Ų932.4 Ų32.47%0.07420%0.199CC..  trans-59.4147171.800000111.9A560 L562 H563A560-A565 HydrophobicContact CB-CB 4.3Å; A560-A565 WeakPolarHBondContact O-CB 3.31Å; L562-A565 HydrophobicContact CB-CB 4.3Å; L562-A565 WeakPolarHBondContact O-CB 3.21Å; L562-A565 PolarHBondContact O-N 2.84Å; H563-A565 VanDerWaalsContact C-N 3.26Å; H563-A565 PolarHBondContact O-N 2.64Å
566T88.8Confident86.9Confident8 Ų837.6 Ų37.65%0.04923%0.226CC..  trans-90.2133.6179.755.50000110.6L524 G537 C568 Y593L524-T566 HydrophobicContact CD1-CG2 4.35Å; G537-T566 WeakPolarHBondContact O-CB 3.45Å; G537-T566 WeakPolarHBondContact O-CG2 3.33Å; T566-C568 PolarHBondContact O-N 3.28Å; T566-Y593 VanDerWaalsContact CG2-CB 3.46Å; T566-Y593 HydrophobicContact CG2-CG 4.36Å
567S90.8Very high86.4Confident0 Ų041.7 Ų41.70%026%0.262CS..  trans-65.4112.1166.6-630000109.6A536 G537 N543 Y557 F628A536-S567 VanDerWaalsContact CA-O 3.29Å; A536-S567 WeakPolarHBondContact CA-O 3.22Å; G537-S567 PolarHBondContact N-O 2.75Å; N543-S567 PolarHBondContact ND2-OG 3.14Å; Y557-S567 WeakPolarHBondContact OH-CB 3.47Å; Y557-S567 PolarHBondContact OH-OG 2.82Å; S567-F628 WeakPolarHBondContact OG-CE2 3.42Å
568C92.3Very high86.1Confident0 Ų042.1 Ų42.10%027%0.265CS..EExtended strand (participates in β ladder)trans-98.9141.1174.3-64.80000109.7I535 A536 V558 T566I535-C568 CarbonylContact O-C 3.49Å; I535-C568 WeakPolarHBondContact O-CA 3.49Å; A536-C568 HydrophobicContact CB-CB 4.34Å; A536-C568 VanDerWaalsContact CB-SG 3.56Å; V558-C568 HydrophobicContact CB-CB 4.1Å; V558-C568 PolarHBondContact N-O 3.42Å; V558-C568 WeakPolarHBondContact O-CB 3.39Å; V558-C568 PolarHBondContact O-N 3.39Å; T566-C568 PolarHBondContact O-N 3.28Å
569V93.4Very high85.8Confident0 Ų043 Ų430%027%0.27CS..EExtended strand (participates in β ladder)trans-128.5129.4170.9174.60000108.5I535 I546 L551 D555 I556 Y557 K571I535-V569 HydrophobicContact CG1-CB 4.11Å; I535-V569 PolarHBondContact N-O 3.29Å; I535-V569 PolarHBondContact O-N 3.48Å; I546-V569 HydrophobicContact CG2-CB 4Å; I546-V569 HydrophobicContact CG2-CG2 3.54Å; L551-V569 HydrophobicContact CD1-CG1 3.71Å; L551-V569 HydrophobicContact CD1-CG2 3.95Å; D555-V569 HydrophobicContact CB-CG1 4.15Å; I556-V569 WeakPolarHBondContact O-CA 3.21Å; Y557-V569 HydrophobicContact CD2-CG2 4.02Å; V569-K571 HydrophobicContact CG1-CD 4.45Å
570I92.8Very high85.5Confident0 Ų046 Ų460%029%0.293CS..EExtended strand (participates in β ladder)trans-92.6120.8171.7-55.8164.4000106.6Y532 V534 I556 V558 V578 T582 L583 A586Y532-I570 HydrophobicContact CD1-CG2 4.35Å; Y532-I570 HydrophobicContact CG-CG2 4.47Å; V534-I570 HydrophobicContact CG1-CG1 4.27Å; V534-I570 HydrophobicContact CG2-CG1 4.14Å; V534-I570 HydrophobicContact CG2-CG2 4.42Å; I556-I570 HydrophobicContact CB-CB 4.49Å; I556-I570 HydrophobicContact CB-CD1 4.41Å; I556-I570 HydrophobicContact CG2-CD1 4.38Å; I556-I570 PolarHBondContact N-O 2.94Å; I556-I570 PolarHBondContact O-N 3.17Å; V558-I570 HydrophobicContact CG2-CD1 3.79Å; V558-I570 HydrophobicContact CG2-CG1 4.26Å; I570-V578 HydrophobicContact CD1-CG1 4.29Å; I570-V578 HydrophobicContact CG2-CG1 4.14Å; I570-V578 HydrophobicContact CG2-CG2 4.42Å; I570-T582 HydrophobicContact CD1-CG2 4.2Å; I570-T582 HydrophobicContact CG2-CG2 3.97Å; I570-L583 HydrophobicContact CD1-CD2 3.69Å; I570-L583 HydrophobicContact CD1-CG 4.46Å; I570-A586 HydrophobicContact CD1-CB 3.8Å; I570-A586 HydrophobicContact CG1-CB 3.86Å
571K89.5Confident85.4Confident38 Ų3849.2 Ų49.217%0.16531%0.306CS..EExtended strand (participates in β ladder)trans-78.9120.7176.4-70.1-57.2-56.4156.40109.8L533 I535 Y550 D555 V569L533-K571 HydrophobicContact CB-CB 4.3Å; L533-K571 WeakPolarHBondContact O-CB 3.4Å; L533-K571 PolarHBondContact O-N 2.84Å; I535-K571 HydrophobicContact CD1-CD 4.48Å; Y550-K571 PolarHBondContact O-NZ 3.35Å; D555-K571 WeakPolarHBondContact OD1-CA 3.37Å; D555-K571 WeakPolarHBondContact OD1-CE 3.44Å; D555-K571 IonicContact OD1-NZ 2.59Å; D555-K571 PolarHBondContact OD1-NZ 3.45Å; D555-K571 IonicContact OD2-NZ 2.57Å; D555-K571 PolarHBondContact OD2-NZ 2.96Å; V569-K571 HydrophobicContact CG1-CD 4.45Å
572N85.7Confident85.5Confident10 Ų1044.6 Ų44.65%0.05328%0.281CS..  trans-121.488.1-178.6-174.914.1000110.4G554 D555 G575 D576 V578G554-N572 WeakPolarHBondContact O-CB 3.5Å; G554-N572 PolarHBondContact O-ND2 3.36Å; D555-N572 PolarHBondContact OD1-N 3.19Å; N572-G575 PolarHBondContact OD1-N 2.99Å; N572-G575 VanDerWaalsContact OD1-N 3.14Å; N572-D576 PolarHBondContact ND2-O 3.42Å; N572-V578 HydrophobicContact CB-CG2 4.29Å
573P74.2Confident85.7Confident78 Ų7842.8 Ų42.851%0.50627%0.271SS..SBendtrans-71.8-34178.929.5-34.5000112.7E946P573-E946 HydrophobicContact CG-CG 4.35Å; P573-E946 WeakPolarHBondContact CG-OE1 3.31Å
574S73.5Confident86Confident69 Ų6936.7 Ų36.748%0.48325%0.246SC..SBendtrans-73.1-27.7-176.8-34.60000112.9D576S574-D576 VanDerWaalsContact C-N 3.26Å; S574-D576 WeakPolarHBondContact CB-OD2 3.39Å; S574-D576 PolarHBondContact O-N 3.29Å
575G70.4Confident86.4Confident50 Ų5034.2 Ų34.252%0.51522%0.221SC..  trans85-10.2-179.100000114.7N572N572-G575 PolarHBondContact OD1-N 2.99Å; N572-G575 VanDerWaalsContact OD1-N 3.14Å
576D79.1Confident86.7Confident109 Ų10933.8 Ų33.858%0.58322%0.217SC*.SBendtrans-62.8167.6178.6-67.7-60.2000114N572 S574 V578N572-D576 PolarHBondContact ND2-O 3.42Å; S574-D576 VanDerWaalsContact C-N 3.26Å; S574-D576 WeakPolarHBondContact CB-OD2 3.39Å; S574-D576 PolarHBondContact O-N 3.29Å; D576-V578 PolarHBondContact O-N 3.46Å; D576-V578 VanDerWaalsContact O-N 3.13Å
577A82.7Confident86.9Confident96 Ų9633.4 Ų33.479%0.79322%0.215SC*.  trans-67.3108.9175.500000111.3
578V85.9Confident87Confident12 Ų1234.3 Ų34.37%0.07322%0.22CC..  trans-57.5127.8177.7-179.60000110.5Y532 I556 I570 N572 D576 T582 L583Y532-V578 HydrophobicContact CE1-CG2 4.29Å; I556-V578 HydrophobicContact CD1-CB 3.79Å; I556-V578 HydrophobicContact CD1-CG2 3.67Å; I556-V578 HydrophobicContact CG1-CG2 4.31Å; I570-V578 HydrophobicContact CD1-CG1 4.29Å; I570-V578 HydrophobicContact CG2-CG1 4.14Å; I570-V578 HydrophobicContact CG2-CG2 4.42Å; N572-V578 HydrophobicContact CB-CG2 4.29Å; D576-V578 PolarHBondContact O-N 3.46Å; D576-V578 VanDerWaalsContact O-N 3.13Å; V578-T582 HydrophobicContact CG1-CG2 3.7Å; V578-L583 HydrophobicContact CG1-CG 4.24Å
579P87.6Confident87Confident18 Ų1834.3 Ų34.312%0.11722%0.22CC..  trans-63.3155.7-176.1-2433.5000114.4E530 Y532 R581 T582 L583 V666E530-P579 WeakPolarHBondContact OE1-CB 3.22Å; Y532-P579 HydrophobicContact CE2-CG 4.2Å; P579-R581 VanDerWaalsContact C-N 3.25Å; P579-R581 PolarHBondContact O-N 2.88Å; P579-T582 PolarHBondContact O-N 3.35Å; P579-L583 PolarHBondContact O-N 3.07Å; P579-V666 HydrophobicContact CG-CG1 3.98Å; P579-V666 HydrophobicContact CG-CG2 4.2Å
580P87.3Confident86.9Confident100 Ų10034.3 Ų34.365%0.64922%0.22SC*.Hα-helixtrans-62.7-29.8-179.225.7-34.7000113.2L583 T584P580-L583 WeakPolarHBondContact O-CB 3.38Å; P580-L583 PolarHBondContact O-N 2.86Å; P580-T584 WeakPolarHBondContact O-CG2 3.22Å; P580-T584 PolarHBondContact O-N 3.01Å; P580-T584 PolarHBondContact O-OG1 3.43Å
581R87.7Confident86.9Confident68 Ų6834.3 Ų34.326%0.25722%0.22SC..Hα-helixtrans-63.6-58.9179.3-173.3170.9174.9160.4-4.7110S529 E530 P579 L583 T584 E585 D672S529-R581 WeakPolarHBondContact OG-CD 3.14Å; S529-R581 PolarHBondContact OG-NE 3.3Å; E530-R581 WeakPolarHBondContact OE1-CB 3.2Å; P579-R581 VanDerWaalsContact C-N 3.25Å; P579-R581 PolarHBondContact O-N 2.88Å; R581-L583 PolarHBondContact O-N 2.91Å; R581-L583 VanDerWaalsContact O-N 3.16Å; R581-T584 PolarHBondContact O-N 2.74Å; R581-T584 PolarHBondContact O-OG1 2.79Å; R581-E585 WeakPolarHBondContact O-CG 3.22Å; R581-E585 PolarHBondContact O-N 3.16Å; R581-D672 IonicContact NH1-OD1 2.61Å; R581-D672 PolarHBondContact NH1-OD1 3.25Å; R581-D672 IonicContact NH1-OD2 2.8Å; R581-D672 PolarHBondContact NH1-OD2 2.77Å
582T90.3Very high87Confident0 Ų032.5 Ų32.50%021%0.213CC..Hα-helixtrans-50.3-39.7171.2-71.40000113.5S528 E530 Y532 V534 I570 V578 P579 E585 A586S528-T582 WeakPolarHBondContact CB-OG1 3.34Å; S528-T582 PolarHBondContact OG-OG1 3.27Å; E530-T582 WeakPolarHBondContact OE2-CB 3.26Å; E530-T582 PolarHBondContact OE2-N 3.22Å; E530-T582 PolarHBondContact OE2-OG1 3.43Å; Y532-T582 HydrophobicContact CD2-CG2 4.23Å; Y532-T582 HydrophobicContact CG-CG2 4.2Å; V534-T582 HydrophobicContact CG2-CG2 4.48Å; I570-T582 HydrophobicContact CD1-CG2 4.2Å; I570-T582 HydrophobicContact CG2-CG2 3.97Å; V578-T582 HydrophobicContact CG1-CG2 3.7Å; P579-T582 PolarHBondContact O-N 3.35Å; T582-E585 PolarHBondContact O-N 3.26Å; T582-A586 PolarHBondContact O-N 2.98Å
583L91.4Very high87.2Confident11 Ų1133.9 Ų33.96%0.05822%0.218CC..Hα-helixtrans-62.9-45.1175.6-74.3166.8000112.5I556 I570 V578 P579 P580 R581 E585 A586 A587 W607 L637I556-L583 HydrophobicContact CD1-CD2 4.2Å; I556-L583 HydrophobicContact CG2-CD2 4.03Å; I570-L583 HydrophobicContact CD1-CD2 3.69Å; I570-L583 HydrophobicContact CD1-CG 4.46Å; V578-L583 HydrophobicContact CG1-CG 4.24Å; P579-L583 PolarHBondContact O-N 3.07Å; P580-L583 WeakPolarHBondContact O-CB 3.38Å; P580-L583 PolarHBondContact O-N 2.86Å; R581-L583 PolarHBondContact O-N 2.91Å; R581-L583 VanDerWaalsContact O-N 3.16Å; L583-E585 VanDerWaalsContact C-N 3.29Å; L583-E585 PolarHBondContact O-N 3.46Å; L583-A586 PolarHBondContact O-N 3.41Å; L583-A587 WeakPolarHBondContact O-CB 3.27Å; L583-A587 PolarHBondContact O-N 2.88Å; L583-W607 HydrophobicContact CD2-CB 4.32Å; L583-W607 HydrophobicContact CD2-CD2 4.26Å; L583-W607 HydrophobicContact CD2-CG 3.99Å; L583-L637 HydrophobicContact CB-CD1 4.23Å; L583-L637 HydrophobicContact CB-CD2 4.26Å
584T91.9Very high88Confident43 Ų4330.7 Ų30.726%0.26420%0.197SC..Hα-helixtrans-66.6-28.9175.761.60000113.1P580 R581 T588 P638P580-T584 WeakPolarHBondContact O-CG2 3.22Å; P580-T584 PolarHBondContact O-N 3.01Å; P580-T584 PolarHBondContact O-OG1 3.43Å; R581-T584 PolarHBondContact O-N 2.74Å; R581-T584 PolarHBondContact O-OG1 2.79Å; T584-T588 WeakPolarHBondContact O-CB 3.41Å; T584-T588 PolarHBondContact O-N 3.45Å; T584-T588 PolarHBondContact O-OG1 3.35Å; T584-P638 HydrophobicContact CG2-CG 4.2Å
585E92.4Very high88.8Confident0 Ų029.9 Ų29.90%019%0.194CC..Hα-helixtrans-71.2-46.8174.8-65.3-166.6151.300111.4F526 S528 S529 R581 T582 L583 A587 T588 M589 P971 T973 A974F526-E585 HydrophobicContact CE2-CB 3.8Å; F526-E585 HydrophobicContact CZ-CB 3.8Å; S528-E585 WeakPolarHBondContact CA-OE2 3.14Å; S528-E585 WeakPolarHBondContact CB-OE2 3.42Å; S529-E585 PolarHBondContact N-OE2 3.09Å; R581-E585 WeakPolarHBondContact O-CG 3.22Å; R581-E585 PolarHBondContact O-N 3.16Å; T582-E585 PolarHBondContact O-N 3.26Å; L583-E585 VanDerWaalsContact C-N 3.29Å; L583-E585 PolarHBondContact O-N 3.46Å; E585-A587 VanDerWaalsContact C-N 3.29Å; E585-A587 PolarHBondContact O-N 2.96Å; E585-T588 PolarHBondContact O-N 3.31Å; E585-M589 PolarHBondContact O-N 3.1Å; E585-P971 HydrophobicContact CB-CB 4.35Å; E585-P971 HydrophobicContact CB-CG 3.97Å; E585-P971 HydrophobicContact CG-CB 4.44Å; E585-P971 WeakPolarHBondContact O-CG 3.35Å; E585-T973 WeakPolarHBondContact CG-OG1 3.45Å; E585-T973 WeakPolarHBondContact OE1-CB 3.35Å; E585-T973 PolarHBondContact OE1-OG1 3.5Å; E585-A974 VanDerWaalsContact OE1-CA 3.22Å; E585-A974 WeakPolarHBondContact OE1-CA 3.48Å; E585-A974 PolarHBondContact OE1-N 3.45Å; E585-A974 WeakPolarHBondContact OE2-CB 3.33Å
586A93.1Very high89.7Confident0 Ų027.6 Ų27.60%017%0.17CC..Hα-helixtrans-61-37.8174.200000112.2V534 V558 I570 T582 L583 M589 A590V534-A586 HydrophobicContact CG1-CB 3.97Å; V558-A586 HydrophobicContact CB-CB 4.3Å; V558-A586 HydrophobicContact CG1-CB 4.34Å; V558-A586 HydrophobicContact CG2-CB 4.02Å; I570-A586 HydrophobicContact CD1-CB 3.8Å; I570-A586 HydrophobicContact CG1-CB 3.86Å; T582-A586 PolarHBondContact O-N 2.98Å; L583-A586 PolarHBondContact O-N 3.41Å; A586-M589 PolarHBondContact O-N 3.12Å; A586-A590 PolarHBondContact O-N 2.75Å
587A92.5Very high90.2Very high0 Ų022.6 Ų22.60%014%0.144CC..Hα-helixtrans-62.4-47.8171.800000112.7V558 L583 E585 M589 A590 V591 A605 L637V558-A587 HydrophobicContact CG1-CB 4.39Å; L583-A587 WeakPolarHBondContact O-CB 3.27Å; L583-A587 PolarHBondContact O-N 2.88Å; E585-A587 VanDerWaalsContact C-N 3.29Å; E585-A587 PolarHBondContact O-N 2.96Å; A587-M589 VanDerWaalsContact C-N 3.27Å; A587-M589 PolarHBondContact O-N 3.17Å; A587-A590 PolarHBondContact O-N 2.91Å; A587-A590 VanDerWaalsContact O-N 3.1Å; A587-V591 WeakPolarHBondContact O-CG2 3.25Å; A587-V591 PolarHBondContact O-N 2.88Å; A587-A605 HydrophobicContact CB-CB 3.59Å; A587-L637 HydrophobicContact CB-CD1 3.72Å
588T92.6Very high90.5Very high18 Ų1822.7 Ų22.711%0.1113%0.131CC..Hα-helixtrans-57.8-41.5176.4-610000110.9T584 E585 C592 P971T584-T588 WeakPolarHBondContact O-CB 3.41Å; T584-T588 PolarHBondContact O-N 3.45Å; T584-T588 PolarHBondContact O-OG1 3.35Å; E585-T588 PolarHBondContact O-N 3.31Å; T588-C592 WeakPolarHBondContact O-CB 3.2Å; T588-C592 PolarHBondContact O-N 3.29Å; T588-C592 PolarHBondContact O-SG 2.98Å; T588-P971 HydrophobicContact CG2-CB 3.96Å; T588-P971 HydrophobicContact CG2-CG 4.21Å
589M92.6Very high90.7Very high0 Ų025 Ų250%015%0.151CC..Hα-helixtrans-61.9-49.2172.9179.4162.8-7300112.1F526 A536 E585 A586 A587 V591 C592 Y593 M644F526-M589 HydrophobicContact CB-CE 4.37Å; F526-M589 HydrophobicContact CD1-CE 3.21Å; F526-M589 HydrophobicContact CD1-SD 3.66Å; F526-M589 HydrophobicContact CE1-CB 4.09Å; F526-M589 HydrophobicContact CE1-CE 3.67Å; F526-M589 HydrophobicContact CE1-SD 3.74Å; F526-M589 HydrophobicContact CG-CE 4.04Å; A536-M589 HydrophobicContact CB-SD 4.28Å; E585-M589 PolarHBondContact O-N 3.1Å; A586-M589 PolarHBondContact O-N 3.12Å; A587-M589 VanDerWaalsContact C-N 3.27Å; A587-M589 PolarHBondContact O-N 3.17Å; M589-V591 VanDerWaalsContact C-N 3.31Å; M589-V591 PolarHBondContact O-N 2.99Å; M589-C592 PolarHBondContact O-N 3.49Å; M589-Y593 HydrophobicContact CE-CE2 4.08Å; M589-Y593 HydrophobicContact CG-CD2 3.69Å; M589-Y593 HydrophobicContact CG-CE2 3.73Å; M589-Y593 WeakPolarHBondContact O-CD2 3.49Å; M589-Y593 PolarHBondContact O-N 2.92Å; M589-Y593 VanDerWaalsContact O-N 3.16Å; M589-Y593 HydrophobicContact SD-CE2 4.19Å; M589-M644 HydrophobicContact CE-CE 3.94Å
590A92.3Very high90.8Very high0 Ų030.9 Ų30.90%018%0.175CC..Hα-helixtrans-58.3-40.5-17900000112.9A586 A587A586-A590 PolarHBondContact O-N 2.75Å; A587-A590 PolarHBondContact O-N 2.91Å; A587-A590 VanDerWaalsContact O-N 3.1Å
591V92.1Very high90.8Very high0 Ų030.6 Ų30.60%017%0.167CC..Hα-helixtrans-72.4-43.3176.4179.60000111A560 L562 A587 M589 Y593 S594 A596 A605 L642A560-V591 HydrophobicContact CB-CG2 3.92Å; L562-V591 HydrophobicContact CD1-CG1 4.39Å; A587-V591 WeakPolarHBondContact O-CG2 3.25Å; A587-V591 PolarHBondContact O-N 2.88Å; M589-V591 VanDerWaalsContact C-N 3.31Å; M589-V591 PolarHBondContact O-N 2.99Å; V591-Y593 VanDerWaalsContact C-N 3.29Å; V591-Y593 PolarHBondContact O-N 3.26Å; V591-S594 WeakPolarHBondContact O-CB 3.36Å; V591-S594 PolarHBondContact O-N 3.45Å; V591-S594 VanDerWaalsContact O-N 3.09Å; V591-S594 PolarHBondContact O-OG 3.14Å; V591-A596 HydrophobicContact CG1-CB 4.05Å; V591-A605 HydrophobicContact CG2-CB 4.3Å; V591-L642 HydrophobicContact CG1-CD2 3.82Å
592C91.4Very high90.8Very high1 Ų131.6 Ų31.61%0.00718%0.176CC..Hα-helixtrans-68.8-17.1-177-71.90000115.4T588 M589 W597 M644T588-C592 WeakPolarHBondContact O-CB 3.2Å; T588-C592 PolarHBondContact O-N 3.29Å; T588-C592 PolarHBondContact O-SG 2.98Å; M589-C592 PolarHBondContact O-N 3.49Å; C592-W597 HydrophobicContact CB-CE3 3.85Å; C592-W597 HydrophobicContact CB-CZ3 4.13Å; C592-W597 WeakPolarHBondContact O-CB 3.25Å; C592-M644 HydrophobicContact CB-CG 3.69Å; C592-M644 HydrophobicContact CB-SD 3.75Å
593Y91Very high90.7Very high39 Ų3933 Ų3315%0.15318%0.184CC..THydrogen-bonded Turntrans-100.25.8171.5-70.6-72.7000114.3L524 T566 M589 V591 M644 N1027 P1029L524-Y593 HydrophobicContact CD1-CD1 3.85Å; L524-Y593 HydrophobicContact CD1-CD2 3.76Å; L524-Y593 HydrophobicContact CD1-CE1 3.96Å; L524-Y593 HydrophobicContact CD1-CE2 3.88Å; L524-Y593 HydrophobicContact CD1-CG 3.76Å; L524-Y593 HydrophobicContact CD2-CE1 4.07Å; L524-Y593 HydrophobicContact CD2-CE2 4.48Å; T566-Y593 VanDerWaalsContact CG2-CB 3.46Å; T566-Y593 HydrophobicContact CG2-CG 4.36Å; M589-Y593 HydrophobicContact CE-CE2 4.08Å; M589-Y593 HydrophobicContact CG-CD2 3.69Å; M589-Y593 HydrophobicContact CG-CE2 3.73Å; M589-Y593 WeakPolarHBondContact O-CD2 3.49Å; M589-Y593 PolarHBondContact O-N 2.92Å; M589-Y593 VanDerWaalsContact O-N 3.16Å; M589-Y593 HydrophobicContact SD-CE2 4.19Å; V591-Y593 VanDerWaalsContact C-N 3.29Å; V591-Y593 PolarHBondContact O-N 3.26Å; Y593-M644 HydrophobicContact CE2-CE 3.9Å; Y593-N1027 PolarHBondContact OH-O 2.98Å; Y593-P1029 HydrophobicContact CD1-CB 4.31Å; Y593-P1029 HydrophobicContact CE1-CB 4.04Å
594S90.9Very high90.6Very high10 Ų1034.8 Ų34.87%0.0720%0.198CC..SBendtrans-91.8178.4174.879.50000113.1L562 V591 A596 W597L562-S594 WeakPolarHBondContact CD1-OG 2.96Å; V591-S594 WeakPolarHBondContact O-CB 3.36Å; V591-S594 PolarHBondContact O-N 3.45Å; V591-S594 VanDerWaalsContact O-N 3.09Å; V591-S594 PolarHBondContact O-OG 3.14Å; S594-A596 PolarHBondContact O-N 2.84Å; S594-A596 VanDerWaalsContact O-N 3.08Å; S594-A596 WeakPolarHBondContact OG-CB 3.47Å; S594-A596 PolarHBondContact OG-N 2.64Å; S594-A596 VanDerWaalsContact OG-N 3.12Å; S594-W597 PolarHBondContact O-N 2.98Å
595A89.4Confident90.6Very high52 Ų5232.8 Ų32.843%0.4319%0.186SC..THydrogen-bonded Turntrans-55.8-21.1170.500000114.3H563 W597 D598 A599H563-A595 VanDerWaalsContact O-CB 3.31Å; H563-A595 WeakPolarHBondContact O-CB 3.25Å; H563-A595 PolarHBondContact O-N 2.95Å; H563-A595 VanDerWaalsContact O-N 3.13Å; A595-W597 PolarHBondContact O-N 3.31Å; A595-D598 PolarHBondContact O-N 3.22Å; A595-A599 WeakPolarHBondContact O-CB 3.14Å; A595-A599 PolarHBondContact O-N 3.02Å; A595-A599 VanDerWaalsContact O-N 3.14Å
596A89.3Confident90.7Very high2 Ų233.1 Ų33.12%0.01719%0.187CC..Hα-helixtrans-60.9-27176.800000113.6L562 V591 S594 K600 I601 L642L562-A596 HydrophobicContact CD1-CB 3.65Å; V591-A596 HydrophobicContact CG1-CB 4.05Å; S594-A596 PolarHBondContact O-N 2.84Å; S594-A596 VanDerWaalsContact O-N 3.08Å; S594-A596 WeakPolarHBondContact OG-CB 3.47Å; S594-A596 PolarHBondContact OG-N 2.64Å; S594-A596 VanDerWaalsContact OG-N 3.12Å; A596-K600 VanDerWaalsContact O-CA 3.29Å; A596-K600 WeakPolarHBondContact O-CA 3.26Å; A596-K600 PolarHBondContact O-N 3.07Å; A596-I601 WeakPolarHBondContact CB-O 3.31Å; A596-I601 PolarHBondContact O-N 2.9Å; A596-L642 HydrophobicContact CB-CD2 4.48Å; A596-L642 WeakPolarHBondContact O-CD1 3.31Å
597W90.9Very high90.8Very high5 Ų535.3 Ų35.32%0.01920%0.195CC..Hα-helixtrans-63.3-52.1178-177.9-85.6000112.5C592 S594 A595 K600 L642 M644 T985 P986 P1029 K1031 V1032C592-W597 HydrophobicContact CB-CE3 3.85Å; C592-W597 HydrophobicContact CB-CZ3 4.13Å; C592-W597 WeakPolarHBondContact O-CB 3.25Å; S594-W597 PolarHBondContact O-N 2.98Å; A595-W597 PolarHBondContact O-N 3.31Å; W597-K600 PolarHBondContact O-N 2.9Å; W597-L642 HydrophobicContact CE3-CB 4.49Å; W597-M644 HydrophobicContact CH2-CB 4.46Å; W597-M644 HydrophobicContact CH2-CG 4.41Å; W597-M644 HydrophobicContact CZ3-CB 4.42Å; W597-M644 HydrophobicContact CZ3-CG 3.93Å; W597-T985 WeakPolarHBondContact CZ2-O 3.45Å; W597-P986 HydrophobicContact CD2-CG 3.95Å; W597-P986 HydrophobicContact CE3-CG 4.1Å; W597-P986 HydrophobicContact CG-CG 4.46Å; W597-P986 HydrophobicContact CH2-CG 4.27Å; W597-P986 HydrophobicContact CZ2-CG 4.1Å; W597-P986 HydrophobicContact CZ3-CG 4.26Å; W597-P986 WeakPolarHBondContact O-CB 3.39Å; W597-P1029 HydrophobicContact CD2-CB 3.89Å; W597-P1029 HydrophobicContact CD2-CG 4.17Å; W597-P1029 HydrophobicContact CE3-CB 4.27Å; W597-P1029 HydrophobicContact CE3-CG 4.28Å; W597-P1029 HydrophobicContact CG-CB 4.27Å; W597-P1029 HydrophobicContact CH2-CG 3.86Å; W597-P1029 HydrophobicContact CZ2-CB 4.27Å; W597-P1029 HydrophobicContact CZ2-CG 3.73Å; W597-P1029 HydrophobicContact CZ3-CG 4.14Å; W597-K1031 PolarHBondContact NE1-O 3.01Å; W597-V1032 HydrophobicContact CZ2-CB 4.32Å; W597-V1032 HydrophobicContact CZ2-CG1 3.79Å
598D88.7Confident90.8Very high98 Ų9835.3 Ų35.352%0.52420%0.195SC..Hα-helixtrans-74.8-27.6180-85.4-8.2000111.7A595A595-D598 PolarHBondContact O-N 3.22Å
599A88.9Confident90.8Very high59 Ų5937.8 Ų37.849%0.48821%0.206SC..Hα-helixtrans-81.7-15.717500000114.5A595 I601A595-A599 WeakPolarHBondContact O-CB 3.14Å; A595-A599 PolarHBondContact O-N 3.02Å; A595-A599 VanDerWaalsContact O-N 3.14Å; A599-I601 VanDerWaalsContact C-N 3.34Å; A599-I601 HydrophobicContact CB-CD1 3.9Å; A599-I601 HydrophobicContact CB-CG1 3.9Å; A599-I601 PolarHBondContact O-N 2.84Å
600K89.5Confident90.6Very high143 Ų14340.1 Ų40.162%0.62222%0.216SC*.THydrogen-bonded Turntrans60.530.1-174.8-50.9-176.8-176.1172.30115.8A596 W597 P986A596-K600 VanDerWaalsContact O-CA 3.29Å; A596-K600 WeakPolarHBondContact O-CA 3.26Å; A596-K600 PolarHBondContact O-N 3.07Å; W597-K600 PolarHBondContact O-N 2.9Å; K600-P986 HydrophobicContact CD-CB 4.4Å; K600-P986 HydrophobicContact CG-CB 3.87Å; K600-P986 HydrophobicContact CG-CG 4.48Å
601I87.6Confident90.4Very high94 Ų9446.3 Ų46.348%0.48225%0.245SC..  trans-89.9132.7-178.6-55.3175.1000109.5A596 A599 T603A596-I601 WeakPolarHBondContact CB-O 3.31Å; A596-I601 PolarHBondContact O-N 2.9Å; A599-I601 VanDerWaalsContact C-N 3.34Å; A599-I601 HydrophobicContact CB-CD1 3.9Å; A599-I601 HydrophobicContact CB-CG1 3.9Å; A599-I601 PolarHBondContact O-N 2.84Å; I601-T603 HydrophobicContact CG2-CG2 3.87Å
602I87.5Confident90.3Very high88 Ų8847.2 Ų47.245%0.45125%0.249SC..  trans-90.4130.5172.7-65.7170.9000108.4P639 Y641I602-P639 HydrophobicContact CG2-CB 3.81Å; I602-Y641 HydrophobicContact CD1-CD1 3.9Å; I602-Y641 HydrophobicContact CD1-CE1 4.26Å
603T88.2Confident90.1Very high29 Ų2948.2 Ų48.218%0.17826%0.255CS..BIsolated β-bridgetrans-143.2159.7-17861.20000111.7L562 I601 P639 S640L562-T603 HydrophobicContact CD1-CG2 4.13Å; L562-T603 WeakPolarHBondContact CD1-OG1 3.41Å; L562-T603 HydrophobicContact CD2-CG2 4.3Å; I601-T603 HydrophobicContact CG2-CG2 3.87Å; T603-P639 WeakPolarHBondContact O-CA 3.2Å; T603-S640 PolarHBondContact O-N 3.08Å
604S89.8Confident89.9Confident50 Ų5047.4 Ų47.435%0.3526%0.255SS..  trans-75.2155.5164.946.20000112L637S604-L637 WeakPolarHBondContact CB-O 3.38Å
605A92.8Very high89.4Confident0 Ų052.9 Ų52.90%028%0.278CS..  trans-110.3177.416200000109.4H559 A560 A587 V591 L637H559-A605 WeakPolarHBondContact O-CB 3.27Å; A560-A605 HydrophobicContact CB-CB 4.23Å; A587-A605 HydrophobicContact CB-CB 3.59Å; V591-A605 HydrophobicContact CG2-CB 4.3Å; A605-L637 PolarHBondContact O-N 3.38Å
606W94.1Very high89Confident8 Ų854.8 Ų54.83%0.0328%0.284CS..EExtended strand (participates in β ladder)trans-137.7159.7171.652.1-97.9000111.3Y557 V558 H559 D561 V608 I630 K634 N635 F636Y557-W606 HydrophobicContact CD1-CH2 4.44Å; Y557-W606 HydrophobicContact CD1-CZ3 4.03Å; Y557-W606 AromaticContact CE1-CH2 3.9Å; Y557-W606 HydrophobicContact CE1-CH2 3.9Å; Y557-W606 AromaticContact CE1-CZ3 3.95Å; Y557-W606 HydrophobicContact CE1-CZ3 3.95Å; V558-W606 WeakPolarHBondContact CA-O 3.23Å; H559-W606 HydrophobicContact CB-CH2 3.69Å; H559-W606 HydrophobicContact CB-CZ2 3.72Å; H559-W606 HydrophobicContact CB-CZ3 4.11Å; H559-W606 AromaticContact CG-CZ2 3.96Å; H559-W606 PolarHBondContact N-O 3.47Å; H559-W606 AromaticContact ND1-CZ2 3.52Å; H559-W606 PolarHBondContact O-N 3.21Å; H559-W606 VanDerWaalsContact O-O 3.05Å; D561-W606 PolarHBondContact OD1-NE1 3.27Å; D561-W606 PolarHBondContact OD2-NE1 3.39Å; W606-V608 HydrophobicContact CE3-CG1 4.26Å; W606-V608 HydrophobicContact CZ3-CG1 4.35Å; W606-V608 HydrophobicContact CZ3-CG2 4Å; W606-I630 HydrophobicContact CH2-CD1 3.79Å; W606-I630 HydrophobicContact CH2-CG1 3.5Å; W606-I630 VanDerWaalsContact CH2-CG1 3.5Å; W606-I630 HydrophobicContact CZ2-CG1 4.4Å; W606-I630 HydrophobicContact CZ3-CD1 3.99Å; W606-I630 HydrophobicContact CZ3-CG1 3.87Å; W606-K634 HydrophobicContact CB-CB 4.26Å; W606-K634 HydrophobicContact CD2-CD 3.81Å; W606-K634 HydrophobicContact CD2-CG 4.02Å; W606-K634 HydrophobicContact CE3-CD 4.34Å; W606-K634 HydrophobicContact CE3-CG 4.08Å; W606-K634 HydrophobicContact CG-CB 4.38Å; W606-K634 HydrophobicContact CG-CD 3.86Å; W606-K634 HydrophobicContact CG-CG 4.25Å; W606-N635 CarbonylContact C-O 3.56Å; W606-N635 WeakPolarHBondContact CA-O 3.46Å; W606-N635 WeakPolarHBondContact CB-O 3.2Å; W606-F636 HydrophobicContact CB-CD1 3.89Å; W606-F636 HydrophobicContact CB-CE1 4.13Å; W606-F636 HydrophobicContact CB-CG 4.22Å; W606-F636 AromaticContact CD1-CE1 3.75Å; W606-F636 HydrophobicContact CG-CD1 4.48Å; W606-F636 HydrophobicContact CG-CE1 4.26Å
607W94.1Very high88.4Confident45 Ų4555.6 Ų55.617%0.1729%0.291CS..EExtended strand (participates in β ladder)trans-129.7158.3175.770.1-92.3000112I556 Y557 V558 L583 H609 N635I556-W607 HydrophobicContact CD1-CE3 4.28Å; I556-W607 HydrophobicContact CD1-CZ3 4.24Å; I556-W607 HydrophobicContact CG2-CB 3.91Å; I556-W607 HydrophobicContact CG2-CD2 4.23Å; I556-W607 HydrophobicContact CG2-CE3 3.74Å; I556-W607 HydrophobicContact CG2-CG 4.35Å; Y557-W607 CarbonylContact O-C 3.49Å; Y557-W607 VanDerWaalsContact O-CA 3.22Å; Y557-W607 WeakPolarHBondContact O-CA 3.17Å; V558-W607 HydrophobicContact CG2-CB 3.91Å; L583-W607 HydrophobicContact CD2-CB 4.32Å; L583-W607 HydrophobicContact CD2-CD2 4.26Å; L583-W607 HydrophobicContact CD2-CG 3.99Å; W607-H609 AromaticContact CH2-NE2 3.95Å; W607-H609 AromaticContact CZ3-CD2 3.96Å; W607-H609 AromaticContact CZ3-CE1 3.84Å; W607-H609 AromaticContact CZ3-NE2 3.54Å; W607-N635 HydrophobicContact CD2-CB 3.88Å; W607-N635 HydrophobicContact CG-CB 4.14Å; W607-N635 WeakPolarHBondContact CH2-ND2 3.32Å; W607-N635 HydrophobicContact CZ2-CB 3.91Å; W607-N635 VanDerWaalsContact CZ2-ND2 3.28Å; W607-N635 WeakPolarHBondContact CZ2-ND2 3.17Å; W607-N635 PolarHBondContact N-O 3.44Å; W607-N635 PolarHBondContact O-N 2.99Å
608V93.6Very high87.8Confident0 Ų058.8 Ų58.80%031%0.312CS..EExtended strand (participates in β ladder)trans-151.3160.4176.1-68.70000110.7Y557 W606 Q612 V613 I630Y557-V608 HydrophobicContact CD1-CG2 3.97Å; Y557-V608 PolarHBondContact N-O 3.25Å; Y557-V608 PolarHBondContact O-N 3.28Å; W606-V608 HydrophobicContact CE3-CG1 4.26Å; W606-V608 HydrophobicContact CZ3-CG1 4.35Å; W606-V608 HydrophobicContact CZ3-CG2 4Å; V608-Q612 HydrophobicContact CB-CB 3.94Å; V608-Q612 HydrophobicContact CB-CG 4.36Å; V608-Q612 HydrophobicContact CG1-CB 4.48Å; V608-Q612 HydrophobicContact CG2-CB 4.26Å; V608-V613 HydrophobicContact CG2-CG2 3.82Å; V608-I630 HydrophobicContact CB-CG2 4.45Å; V608-I630 HydrophobicContact CG1-CG2 3.73Å; V608-I630 HydrophobicContact CG2-CD1 4.29Å; V608-I630 HydrophobicContact CG2-CG2 4.21Å
609H91.4Very high86.9Confident71 Ų7161.5 Ų61.533%0.32933%0.333SS..EExtended strand (participates in β ladder)trans-76.7156.1174.2-62.8-84.6000112.2W607 H611 Q612W607-H609 AromaticContact CH2-NE2 3.95Å; W607-H609 AromaticContact CZ3-CD2 3.96Å; W607-H609 AromaticContact CZ3-CE1 3.84Å; W607-H609 AromaticContact CZ3-NE2 3.54Å; H609-H611 VanDerWaalsContact C-N 3.29Å; H609-H611 VanDerWaalsContact CB-CE1 3.46Å; H609-H611 WeakPolarHBondContact CB-CE1 3.32Å; H609-H611 AromaticContact CG-CE1 3.99Å; H609-H611 PolarHBondContact O-N 3.42Å; H609-H611 VanDerWaalsContact O-N 3.13Å; H609-Q612 WeakPolarHBondContact O-CB 3.3Å; H609-Q612 PolarHBondContact O-N 3.22Å
610H88.9Confident85.8Confident49 Ų4962.3 Ų62.323%0.22735%0.347CS..G310 helixtrans-41.5-47.5175.968101000114.8L551 R552 S553 D555 Q612 V613L551-H610 HydrophobicContact CD1-CB 4.14Å; L551-H610 HydrophobicContact CD2-CB 4.35Å; L551-H610 HydrophobicContact CG-CB 4.02Å; R552-H610 VanDerWaalsContact O-CB 3.25Å; R552-H610 WeakPolarHBondContact O-CB 3.12Å; S553-H610 PolarHBondContact OG-CE1 2.6Å; D555-H610 PolarHBondContact O-N 3.38Å; H610-Q612 PolarHBondContact O-N 3.01Å; H610-V613 PolarHBondContact O-N 3.36Å; H610-V613 VanDerWaalsContact O-N 3.09Å
611H88.4Confident85.2Confident130 Ų13062.2 Ų62.260%0.60235%0.348SS*.G310 helixtrans-67.3-16.7-176.363.5-102.3000114.1H609H609-H611 VanDerWaalsContact C-N 3.29Å; H609-H611 VanDerWaalsContact CB-CE1 3.46Å; H609-H611 WeakPolarHBondContact CB-CE1 3.32Å; H609-H611 AromaticContact CG-CE1 3.99Å; H609-H611 PolarHBondContact O-N 3.42Å; H609-H611 VanDerWaalsContact O-N 3.13Å
612Q89.1Confident84.6Confident19 Ų1968.5 Ų68.59%0.08937%0.368CS..G310 helixtrans-82.7-16.9176.4-59.2-173.1-101.800112.6V608 H609 H610 I630 R631 K633V608-Q612 HydrophobicContact CB-CB 3.94Å; V608-Q612 HydrophobicContact CB-CG 4.36Å; V608-Q612 HydrophobicContact CG1-CB 4.48Å; V608-Q612 HydrophobicContact CG2-CB 4.26Å; H609-Q612 WeakPolarHBondContact O-CB 3.3Å; H609-Q612 PolarHBondContact O-N 3.22Å; H610-Q612 PolarHBondContact O-N 3.01Å; Q612-I630 CarbonylContact O-C 3.54Å; Q612-I630 WeakPolarHBondContact O-CA 3.43Å; Q612-R631 WeakPolarHBondContact CB-O 3.28Å; Q612-R631 WeakPolarHBondContact CG-O 3.35Å; Q612-R631 PolarHBondContact NE2-O 2.92Å; Q612-R631 PolarHBondContact O-N 3.22Å; Q612-K633 PolarHBondContact NE2-O 3.32Å
613V89Confident84.2Confident22 Ų2267.2 Ų67.213%0.13336%0.361CS..EExtended strand (participates in β ladder)trans-91.9116.8-175.6-172.80000109.8V547 L551 Y557 V608 H610 F628 I630V547-V613 HydrophobicContact CG1-CG1 3.9Å; L551-V613 HydrophobicContact CD2-CB 4.27Å; L551-V613 HydrophobicContact CD2-CG2 4.4Å; Y557-V613 HydrophobicContact CD1-CG2 4.02Å; Y557-V613 HydrophobicContact CD2-CG2 4.24Å; Y557-V613 HydrophobicContact CG-CG2 3.74Å; V608-V613 HydrophobicContact CG2-CG2 3.82Å; H610-V613 PolarHBondContact O-N 3.36Å; H610-V613 VanDerWaalsContact O-N 3.09Å; V613-F628 HydrophobicContact CG1-CB 3.9Å; V613-F628 HydrophobicContact CG1-CD1 4.38Å; V613-F628 HydrophobicContact CG1-CG 4.16Å; V613-I630 HydrophobicContact CG1-CD1 4.41Å; V613-I630 HydrophobicContact CG2-CD1 4.2Å
614S85.6Confident83.8Confident22 Ų2270.5 Ų70.515%0.15438%0.381CS..EExtended strand (participates in β ladder)trans-124.3139.8-178.6-164.80000112.4T616 M629 R631S614-T616 PolarHBondContact OG-N 2.76Å; S614-T616 PolarHBondContact OG-OG1 2.85Å; S614-M629 PolarHBondContact N-O 2.72Å; S614-M629 PolarHBondContact O-N 3.24Å; S614-R631 PolarHBondContact OG-NH2 2.8Å
615K80.7Confident83.3Confident125 Ų12572 Ų7254%0.54339%0.389SS..SBendtrans-85.7-11.4170.6-164.4170.9-177.5-178.30112.8E544 L623E544-K615 VanDerWaalsContact CD-NZ 3.31Å; E544-K615 IonicContact OE1-NZ 2.98Å; E544-K615 IonicContact OE2-NZ 3.77Å; E544-K615 PolarHBondContact OE2-NZ 3.45Å; K615-L623 WeakPolarHBondContact O-CD1 3.42Å
616T80.7Confident82.5Confident91 Ų9172.4 Ų72.456%0.55839%0.393SS*.PPolyproline II helixtrans-91.9117.9174.550.20000110.6S614 R631S614-T616 PolarHBondContact OG-N 2.76Å; S614-T616 PolarHBondContact OG-OG1 2.85Å; T616-R631 PolarHBondContact O-NH2 3Å; T616-R631 VanDerWaalsContact O-NH2 3.16Å; T616-R631 PolarHBondContact OG1-NH2 2.9Å
617A77.5Confident81.9Confident19 Ų1974.2 Ų74.216%0.15741%0.407CS..PPolyproline II helixtrans-59.2163.3165.200000111E621 L623A617-E621 HydrophobicContact CB-CB 4.03Å; A617-E621 WeakPolarHBondContact CB-O 3.37Å; A617-L623 HydrophobicContact CB-CD2 3.86Å; A617-L623 HydrophobicContact CB-CG 3.96Å
618P77.6Confident81.6Confident73 Ų7373.5 Ų73.547%0.47441%0.405SS..SBendtrans-53.9157.9161-22.735.3000111.8G620 E621 M629P618-G620 PolarHBondContact O-N 2.84Å; P618-E621 PolarHBondContact O-N 3.34Å; P618-M629 HydrophobicContact CG-SD 4.23Å
619T69.3Low81.2Confident155 Ų15576.6 Ų76.695%0.95142%0.42SS*.THydrogen-bonded Turntrans-59.7108.6-173.145.60000112.7
620G67.3Low81.1Confident76 Ų7674.4 Ų74.478%0.78441%0.411SS*.THydrogen-bonded Turntrans127.2-19.9173.700000114.5P618P618-G620 PolarHBondContact O-N 2.84Å
621E76.2Confident81Confident140 Ų14078.1 Ų78.165%0.65442%0.423SS*.  trans-104.1158.7-176-64.3-173161.200113.3A617 P618A617-E621 HydrophobicContact CB-CB 4.03Å; A617-E621 WeakPolarHBondContact CB-O 3.37Å; P618-E621 PolarHBondContact O-N 3.34Å
622Y75.5Confident80.9Confident227 Ų22775.4 Ų75.489%0.8943%0.43SS*.  trans-116.9121.6173.8-69.4-83.2000109.8
623L78.9Confident80.9Confident60 Ų6082.3 Ų82.331%0.31446%0.46SS..PPolyproline II helixtrans-69.6140.5171.6-59.2-173000110.8K615 A617 M629K615-L623 WeakPolarHBondContact O-CD1 3.42Å; A617-L623 HydrophobicContact CB-CD2 3.86Å; A617-L623 HydrophobicContact CB-CG 3.96Å; L623-M629 HydrophobicContact CD1-CB 4.12Å
624T80.4Confident81.1Confident98 Ų9884.2 Ų84.260%0.60147%0.466SS*.PPolyproline II helixtrans-65.4149.7166.736.50000111.6G626 S627T624-G626 PolarHBondContact O-N 3.04Å; T624-S627 VanDerWaalsContact O-CB 3.23Å; T624-S627 WeakPolarHBondContact O-CB 3.49Å; T624-S627 PolarHBondContact O-N 2.79Å; T624-S627 PolarHBondContact O-OG 3.41Å; T624-S627 PolarHBondContact OG1-OG 3.4Å
625T79.1Confident81.4Confident83 Ų8385.3 Ų85.351%0.50947%0.47SS..THydrogen-bonded Turntrans-57.4134.4179.242.50000111.8Q540 E544 S627Q540-T625 WeakPolarHBondContact CB-O 3.42Å; Q540-T625 VanDerWaalsContact CG-O 3.3Å; Q540-T625 WeakPolarHBondContact CG-O 3.32Å; Q540-T625 PolarHBondContact OE1-O 3.27Å; Q540-T625 PolarHBondContact OE1-OG1 3.35Å; E544-T625 WeakPolarHBondContact OE1-CA 3.14Å; E544-T625 WeakPolarHBondContact OE1-CB 3.43Å; T625-S627 VanDerWaalsContact C-N 3.27Å; T625-S627 PolarHBondContact O-N 3.28Å
626G74.9Confident82Confident8 Ų885.3 Ų85.38%0.08247%0.471CS..THydrogen-bonded Turntrans72.110.7-174.400000115.8Q540 E544 T624 F628Q540-G626 WeakPolarHBondContact O-CA 3.44Å; E544-G626 PolarHBondContact OE1-N 3.22Å; T624-G626 PolarHBondContact O-N 3.04Å; G626-F628 WeakPolarHBondContact O-CE2 3.39Å
627S82.4Confident82.4Confident46 Ų4682 Ų8232%0.32245%0.449SS..  trans-106.5147.4171.9-48.40000110.8T624 T625T624-S627 VanDerWaalsContact O-CB 3.23Å; T624-S627 WeakPolarHBondContact O-CB 3.49Å; T624-S627 PolarHBondContact O-N 2.79Å; T624-S627 PolarHBondContact O-OG 3.41Å; T624-S627 PolarHBondContact OG1-OG 3.4Å; T625-S627 VanDerWaalsContact C-N 3.27Å; T625-S627 PolarHBondContact O-N 3.28Å
628F87Confident83Confident29 Ų2985 Ų8513%0.12747%0.467CS..  trans-133.1141.8-174.5-52.2-79.7000111.2N543 E544 V547 Y557 S567 V613 G626N543-F628 HydrophobicContact CB-CE2 4.16Å; N543-F628 HydrophobicContact CB-CZ 4.37Å; E544-F628 HydrophobicContact CG-CZ 4.34Å; V547-F628 HydrophobicContact CB-CD1 4.3Å; V547-F628 HydrophobicContact CB-CE1 3.61Å; V547-F628 HydrophobicContact CB-CE2 4.42Å; V547-F628 HydrophobicContact CB-CZ 3.69Å; V547-F628 HydrophobicContact CG1-CD1 3.84Å; V547-F628 HydrophobicContact CG1-CE1 3.6Å; V547-F628 HydrophobicContact CG1-CZ 4.16Å; V547-F628 HydrophobicContact CG2-CD1 4.41Å; V547-F628 HydrophobicContact CG2-CD2 4.31Å; V547-F628 HydrophobicContact CG2-CE1 3.88Å; V547-F628 HydrophobicContact CG2-CE2 3.78Å; V547-F628 HydrophobicContact CG2-CZ 3.54Å; Y557-F628 HydrophobicContact CE2-CD2 4.36Å; S567-F628 WeakPolarHBondContact OG-CE2 3.42Å; V613-F628 HydrophobicContact CG1-CB 3.9Å; V613-F628 HydrophobicContact CG1-CD1 4.38Å; V613-F628 HydrophobicContact CG1-CG 4.16Å; G626-F628 WeakPolarHBondContact O-CE2 3.39Å
629M85.9Confident83.5Confident66 Ų6685.5 Ų85.533%0.32547%0.47SS..EExtended strand (participates in β ladder)trans-86.4124.9174.4-173.173.5-94.700109.4S614 P618 L623S614-M629 PolarHBondContact N-O 2.72Å; S614-M629 PolarHBondContact O-N 3.24Å; P618-M629 HydrophobicContact CG-SD 4.23Å; L623-M629 HydrophobicContact CD1-CB 4.12Å
630I89.2Confident84.2Confident25 Ų2578.5 Ų78.513%0.12843%0.428CS..EExtended strand (participates in β ladder)trans-97.5132.2178.6-51.4-55.2000109.6Y557 W606 V608 Q612 V613 K634Y557-I630 HydrophobicContact CE1-CD1 4.35Å; W606-I630 HydrophobicContact CH2-CD1 3.79Å; W606-I630 HydrophobicContact CH2-CG1 3.5Å; W606-I630 VanDerWaalsContact CH2-CG1 3.5Å; W606-I630 HydrophobicContact CZ2-CG1 4.4Å; W606-I630 HydrophobicContact CZ3-CD1 3.99Å; W606-I630 HydrophobicContact CZ3-CG1 3.87Å; V608-I630 HydrophobicContact CB-CG2 4.45Å; V608-I630 HydrophobicContact CG1-CG2 3.73Å; V608-I630 HydrophobicContact CG2-CD1 4.29Å; V608-I630 HydrophobicContact CG2-CG2 4.21Å; Q612-I630 CarbonylContact O-C 3.54Å; Q612-I630 WeakPolarHBondContact O-CA 3.43Å; V613-I630 HydrophobicContact CG1-CD1 4.41Å; V613-I630 HydrophobicContact CG2-CD1 4.2Å; I630-K634 HydrophobicContact CG2-CG 4.41Å
631R86.6Confident85.2Confident126 Ų12682.7 Ų82.748%0.47542%0.421SS..  trans-112.4139.1-180-58.9-175.5-176.2-176.52.9110.5Q612 S614 T616Q612-R631 WeakPolarHBondContact CB-O 3.28Å; Q612-R631 WeakPolarHBondContact CG-O 3.35Å; Q612-R631 PolarHBondContact NE2-O 2.92Å; Q612-R631 PolarHBondContact O-N 3.22Å; S614-R631 PolarHBondContact OG-NH2 2.8Å; T616-R631 PolarHBondContact O-NH2 3Å; T616-R631 VanDerWaalsContact O-NH2 3.16Å; T616-R631 PolarHBondContact OG1-NH2 2.9Å
632G86.3Confident85.8Confident74 Ų7476.8 Ų76.876%0.76339%0.394SS*.SBendtrans78.2-158.9-175.100000113.7
633K89.6Confident86.6Confident164 Ų16468.2 Ų68.271%0.71336%0.363SS*.  trans-78134.9-173.2-172.8177.5176.8-175.30111.7Q612Q612-K633 PolarHBondContact NE2-O 3.32Å
634K92.4Very high87.2Confident62 Ų6265.3 Ų65.327%0.2735%0.348SS..  trans-83.2135.4164.1-76178.7167.8-176.50109.7D561 W606 I630 F636D561-K634 IonicContact OD1-NZ 2.81Å; D561-K634 PolarHBondContact OD1-NZ 3.14Å; D561-K634 IonicContact OD2-NZ 2.7Å; D561-K634 PolarHBondContact OD2-NZ 3.02Å; W606-K634 HydrophobicContact CB-CB 4.26Å; W606-K634 HydrophobicContact CD2-CD 3.81Å; W606-K634 HydrophobicContact CD2-CG 4.02Å; W606-K634 HydrophobicContact CE3-CD 4.34Å; W606-K634 HydrophobicContact CE3-CG 4.08Å; W606-K634 HydrophobicContact CG-CB 4.38Å; W606-K634 HydrophobicContact CG-CD 3.86Å; W606-K634 HydrophobicContact CG-CG 4.25Å; I630-K634 HydrophobicContact CG2-CG 4.41Å; K634-F636 HydrophobicContact CB-CD2 4.35Å; K634-F636 HydrophobicContact CB-CE2 3.84Å; K634-F636 HydrophobicContact CB-CZ 4.25Å; K634-F636 HydrophobicContact CD-CE2 4.33Å; K634-F636 HydrophobicContact CD-CZ 3.92Å
635N92.4Very high87.7Confident44 Ų4460.7 Ų60.724%0.23532%0.32CS..EExtended strand (participates in β ladder)trans-99.4107.1172.8-64.8-29.1000109.4W606 W607W606-N635 CarbonylContact C-O 3.56Å; W606-N635 WeakPolarHBondContact CA-O 3.46Å; W606-N635 WeakPolarHBondContact CB-O 3.2Å; W607-N635 HydrophobicContact CD2-CB 3.88Å; W607-N635 HydrophobicContact CG-CB 4.14Å; W607-N635 WeakPolarHBondContact CH2-ND2 3.32Å; W607-N635 HydrophobicContact CZ2-CB 3.91Å; W607-N635 VanDerWaalsContact CZ2-ND2 3.28Å; W607-N635 WeakPolarHBondContact CZ2-ND2 3.17Å; W607-N635 PolarHBondContact N-O 3.44Å; W607-N635 PolarHBondContact O-N 2.99Å
636F91.8Very high88.4Confident125 Ų12556.8 Ų56.855%0.54830%0.296SS..EExtended strand (participates in β ladder)trans-80.9144-178.6-70.3-89.7000112W606 K634W606-F636 HydrophobicContact CB-CD1 3.89Å; W606-F636 HydrophobicContact CB-CE1 4.13Å; W606-F636 HydrophobicContact CB-CG 4.22Å; W606-F636 AromaticContact CD1-CE1 3.75Å; W606-F636 HydrophobicContact CG-CD1 4.48Å; W606-F636 HydrophobicContact CG-CE1 4.26Å; K634-F636 HydrophobicContact CB-CD2 4.35Å; K634-F636 HydrophobicContact CB-CE2 3.84Å; K634-F636 HydrophobicContact CB-CZ 4.25Å; K634-F636 HydrophobicContact CD-CE2 4.33Å; K634-F636 HydrophobicContact CD-CZ 3.92Å
637L90.9Very high89.1Confident22 Ų2256.4 Ų56.412%0.11529%0.292CS..  trans-108158.8178.9-70.5167.9000110.7L583 A587 S604 A605L583-L637 HydrophobicContact CB-CD1 4.23Å; L583-L637 HydrophobicContact CB-CD2 4.26Å; A587-L637 HydrophobicContact CB-CD1 3.72Å; S604-L637 WeakPolarHBondContact CB-O 3.38Å; A605-L637 PolarHBondContact O-N 3.38Å
638P89.1Confident89.4Confident81 Ų8154.2 Ų54.253%0.52628%0.276SS..PPolyproline II helixtrans-57.7151.917723-34.3000112.6T584 S640T584-P638 HydrophobicContact CG2-CG 4.2Å; P638-S640 PolarHBondContact O-N 3.45Å; P638-S640 PolarHBondContact O-OG 3.12Å
639P87.7Confident89.5Confident84 Ų8452.9 Ų52.955%0.54527%0.27SS..PPolyproline II helixtrans-56.3125.3179.5-24.534.4000112.2I602 T603I602-P639 HydrophobicContact CG2-CB 3.81Å; T603-P639 WeakPolarHBondContact O-CA 3.2Å
640S84.6Confident89.6Confident9 Ų949.7 Ų49.76%0.06326%0.255CS..BIsolated β-bridgetrans-95.1127.1-170.7-56.80000111.6T603 P638T603-S640 PolarHBondContact O-N 3.08Å; P638-S640 PolarHBondContact O-N 3.45Å; P638-S640 PolarHBondContact O-OG 3.12Å
641Y87.7Confident89.4Confident164 Ų16449.8 Ų49.864%0.64325%0.254SS*.PPolyproline II helixtrans-67141.1177.3-65.2-74.5000111.9I602 I643I602-Y641 HydrophobicContact CD1-CD1 3.9Å; I602-Y641 HydrophobicContact CD1-CE1 4.26Å; Y641-I643 PolarHBondContact O-N 3Å
642L89.5Confident89.3Confident15 Ų1543.9 Ų43.98%0.07923%0.232CC..SBendtrans-75.463178.7-64174.9000112.4V591 A596 W597 P986V591-L642 HydrophobicContact CG1-CD2 3.82Å; A596-L642 HydrophobicContact CB-CD2 4.48Å; A596-L642 WeakPolarHBondContact O-CD1 3.31Å; W597-L642 HydrophobicContact CE3-CB 4.49Å; L642-P986 HydrophobicContact CB-CG 3.94Å; L642-P986 HydrophobicContact CD1-CG 4.06Å; L642-P986 WeakPolarHBondContact O-CD 3.33Å
643I91.6Very high89Confident47 Ų4742.4 Ų42.424%0.24121%0.207CC..  trans-129.896.7-174.2-52.2177.4000110Y641 Y972 K983Y641-I643 PolarHBondContact O-N 3Å; I643-Y972 HydrophobicContact CG2-CG 4.18Å; I643-Y972 PolarHBondContact O-N 3.35Å; I643-K983 HydrophobicContact CG2-CD 4.2Å; I643-K983 HydrophobicContact CG2-CG 3.82Å
644M92.6Very high88.4Confident0 Ų041.2 Ų41.20%020%0.204CC..EExtended strand (participates in β ladder)trans-90.1167.6166.1-64.5-65.3-74.700109.7M589 C592 Y593 W597 A970 L984 P1029M589-M644 HydrophobicContact CE-CE 3.94Å; C592-M644 HydrophobicContact CB-CG 3.69Å; C592-M644 HydrophobicContact CB-SD 3.75Å; Y593-M644 HydrophobicContact CE2-CE 3.9Å; W597-M644 HydrophobicContact CH2-CB 4.46Å; W597-M644 HydrophobicContact CH2-CG 4.41Å; W597-M644 HydrophobicContact CZ3-CB 4.42Å; W597-M644 HydrophobicContact CZ3-CG 3.93Å; M644-A970 CarbonylContact C-O 3.55Å; M644-A970 WeakPolarHBondContact CA-O 3.34Å; M644-A970 WeakPolarHBondContact CE-O 3.34Å; M644-L984 HydrophobicContact CB-CB 4.16Å; M644-L984 PolarHBondContact N-O 3.49Å; M644-L984 WeakPolarHBondContact O-CA 3.38Å; M644-L984 PolarHBondContact O-N 3.34Å; M644-P1029 HydrophobicContact CG-CG 4.37Å
645G91.3Very high87.7Confident0 Ų046 Ų460%023%0.227CC..EExtended strand (participates in β ladder)trans-130.4170.5162.100000111.6C969 A970 V982G645-C969 WeakPolarHBondContact O-CA 3.34Å; G645-C969 PolarHBondContact O-SG 3.29Å; G645-A970 PolarHBondContact N-O 3.12Å; G645-A970 PolarHBondContact O-N 3.13Å; G645-V982 CarbonylContact C-O 3.59Å; G645-V982 WeakPolarHBondContact CA-O 3.18Å
646F92.5Very high86.9Confident2 Ų244.4 Ų44.41%0.00922%0.22CC..EExtended strand (participates in β ladder)trans-133.8136.7175.4176.9-98.7000109.5F648 P967 V968 C969 K981 V982 L984 A998 V999 F1002 L1024 M1028F646-F648 HydrophobicContact CE1-CE2 4.21Å; F646-F648 HydrophobicContact CZ-CE2 4.49Å; F646-F648 HydrophobicContact CZ-CZ 4.44Å; F646-P967 HydrophobicContact CE2-CB 3.98Å; F646-P967 HydrophobicContact CZ-CB 4.06Å; F646-V968 WeakPolarHBondContact CA-O 3.16Å; F646-V968 WeakPolarHBondContact CD2-O 3.48Å; F646-C969 HydrophobicContact CD2-CB 4.32Å; F646-K981 CarbonylContact O-C 3.57Å; F646-K981 WeakPolarHBondContact O-CA 3.44Å; F646-V982 PolarHBondContact N-O 3.46Å; F646-V982 PolarHBondContact O-N 3.12Å; F646-L984 HydrophobicContact CB-CD1 4Å; F646-L984 HydrophobicContact CB-CG 4.24Å; F646-A998 HydrophobicContact CD1-CB 3.77Å; F646-A998 HydrophobicContact CE1-CB 4.11Å; F646-V999 HydrophobicContact CE1-CG2 4.41Å; F646-F1002 HydrophobicContact CD1-CE2 4.2Å; F646-F1002 HydrophobicContact CE1-CE2 4.17Å; F646-L1024 WeakPolarHBondContact CE2-O 3.45Å; F646-L1024 HydrophobicContact CZ-CD2 4.13Å; F646-M1028 HydrophobicContact CB-CE 3.86Å; F646-M1028 HydrophobicContact CD1-CE 3.82Å; F646-M1028 HydrophobicContact CD2-CE 3.4Å; F646-M1028 VanDerWaalsContact CD2-CE 3.4Å; F646-M1028 HydrophobicContact CD2-CG 4.45Å; F646-M1028 HydrophobicContact CE1-CE 4.19Å; F646-M1028 HydrophobicContact CE2-CE 3.8Å; F646-M1028 HydrophobicContact CG-CE 3.4Å; F646-M1028 VanDerWaalsContact CG-CE 3.4Å; F646-M1028 HydrophobicContact CZ-CE 4.18Å
647G89.9Confident86.2Confident0 Ų039.4 Ų39.40%020%0.199CC..EExtended strand (participates in β ladder)trans-164.1-167.7-17900000112.4V968 H980G647-V968 PolarHBondContact N-O 3.46Å; G647-V968 PolarHBondContact O-N 3.42Å; G647-H980 WeakPolarHBondContact CA-O 3.28Å
648F89.3Confident85.3Confident0 Ų044.9 Ų44.90%022%0.222CC..EExtended strand (participates in β ladder)trans-125.8135.3177.5-71.9-88.8000111.7F646 F650 A965 V966 P967 Y978 H980 V999 F1002 F1016 V1019 L1024F646-F648 HydrophobicContact CE1-CE2 4.21Å; F646-F648 HydrophobicContact CZ-CE2 4.49Å; F646-F648 HydrophobicContact CZ-CZ 4.44Å; F648-F650 HydrophobicContact CB-CE2 4.22Å; F648-F650 HydrophobicContact CB-CZ 4.25Å; F648-A965 HydrophobicContact CD1-CB 3.86Å; F648-A965 HydrophobicContact CE1-CB 4.5Å; F648-A965 HydrophobicContact CG-CB 4.5Å; F648-V966 VanDerWaalsContact CA-O 3.31Å; F648-V966 WeakPolarHBondContact CA-O 3.33Å; F648-P967 HydrophobicContact CD1-CB 4.34Å; F648-P967 HydrophobicContact CE1-CB 3.92Å; F648-P967 HydrophobicContact CZ-CB 4.5Å; F648-Y978 WeakPolarHBondContact O-CD2 3.32Å; F648-H980 PolarHBondContact N-O 3.19Å; F648-V999 HydrophobicContact CE2-CG2 4.06Å; F648-V999 HydrophobicContact CZ-CG2 4Å; F648-F1002 AromaticContact CD2-CD2 3.91Å; F648-F1002 HydrophobicContact CD2-CD2 3.91Å; F648-F1002 AromaticContact CD2-CE2 3.77Å; F648-F1002 HydrophobicContact CD2-CE2 3.77Å; F648-F1002 AromaticContact CE2-CD2 3.71Å; F648-F1002 HydrophobicContact CE2-CD2 3.71Å; F648-F1002 AromaticContact CE2-CE2 3.72Å; F648-F1002 HydrophobicContact CE2-CE2 3.72Å; F648-F1016 HydrophobicContact CB-CE1 4.08Å; F648-F1016 HydrophobicContact CD1-CD1 4.34Å; F648-F1016 AromaticContact CD2-CD1 3.61Å; F648-F1016 HydrophobicContact CD2-CD1 3.61Å; F648-F1016 AromaticContact CD2-CE1 3.46Å; F648-F1016 HydrophobicContact CD2-CE1 3.46Å; F648-F1016 VanDerWaalsContact CD2-CE1 3.46Å; F648-F1016 HydrophobicContact CE1-CD1 4.34Å; F648-F1016 AromaticContact CE2-CD1 3.63Å; F648-F1016 HydrophobicContact CE2-CD1 3.63Å; F648-F1016 AromaticContact CE2-CE1 3.96Å; F648-F1016 HydrophobicContact CE2-CE1 3.96Å; F648-F1016 AromaticContact CG-CD1 3.98Å; F648-F1016 HydrophobicContact CG-CD1 3.98Å; F648-F1016 AromaticContact CG-CE1 3.78Å; F648-F1016 HydrophobicContact CG-CE1 3.78Å; F648-F1016 AromaticContact CZ-CD1 3.99Å; F648-F1016 HydrophobicContact CZ-CD1 3.99Å; F648-V1019 HydrophobicContact CE1-CB 4.39Å; F648-V1019 HydrophobicContact CE1-CG1 4.47Å; F648-V1019 HydrophobicContact CE1-CG2 4.13Å; F648-L1024 HydrophobicContact CE1-CD2 4.02Å; F648-L1024 HydrophobicContact CZ-CD2 3.61Å
649L88.2Confident84.6Confident0 Ų046.1 Ų46.10%022%0.216CC..EExtended strand (participates in β ladder)trans-89.9148.8155.6-76.3172.8000108.9W525 I527 L952 S953 A965 V966 V968 Y978W525-L649 HydrophobicContact CH2-CD1 4.23Å; W525-L649 HydrophobicContact CZ3-CD1 4.31Å; I527-L649 HydrophobicContact CD1-CD1 3.66Å; I527-L649 HydrophobicContact CG1-CD1 4.32Å; L649-L952 HydrophobicContact CB-CB 4.48Å; L649-L952 HydrophobicContact CD1-CB 4.2Å; L649-L952 HydrophobicContact CD1-CD1 4.36Å; L649-S953 WeakPolarHBondContact CA-O 3.33Å; L649-S953 WeakPolarHBondContact CD2-O 3.33Å; L649-A965 CarbonylContact O-C 3.57Å; L649-A965 WeakPolarHBondContact O-CA 3.38Å; L649-V966 HydrophobicContact CB-CB 4.41Å; L649-V966 PolarHBondContact N-O 3.15Å; L649-V966 PolarHBondContact O-N 3Å; L649-V968 HydrophobicContact CB-CG2 4.29Å; L649-V968 HydrophobicContact CD1-CG2 3.86Å; L649-V968 HydrophobicContact CG-CG2 3.93Å; L649-Y978 HydrophobicContact CD2-CE1 4.41Å; L649-Y978 HydrophobicContact CD2-CE2 3.68Å; L649-Y978 WeakPolarHBondContact CD2-OH 3.43Å; L649-Y978 HydrophobicContact CG-CE2 3.74Å; L649-Y978 WeakPolarHBondContact CG-OH 3.29Å
650F87.9Confident83.9Confident0 Ų043.2 Ų43.20%020%0.195CC..EExtended strand (participates in β ladder)trans-114.4133.4173-58.9-94.4000109.4F648 V652 L952 S953 P956 L962 F964 A965 E1012 L1015 F1016F648-F650 HydrophobicContact CB-CE2 4.22Å; F648-F650 HydrophobicContact CB-CZ 4.25Å; F650-V652 PolarHBondContact O-N 2.67Å; F650-L952 WeakPolarHBondContact O-CA 3.45Å; F650-S953 PolarHBondContact N-O 2.86Å; F650-S953 PolarHBondContact O-N 3.03Å; F650-P956 HydrophobicContact CD2-CB 4.27Å; F650-P956 HydrophobicContact CD2-CG 3.76Å; F650-P956 HydrophobicContact CE2-CG 3.76Å; F650-P956 HydrophobicContact CG-CG 4.39Å; F650-P956 HydrophobicContact CZ-CG 4.38Å; F650-L962 HydrophobicContact CB-CD2 4.16Å; F650-L962 HydrophobicContact CD1-CD1 3.93Å; F650-L962 HydrophobicContact CE1-CD1 4.31Å; F650-L962 HydrophobicContact CG-CD1 4.37Å; F650-F964 CarbonylContact C-O 3.49Å; F650-F964 WeakPolarHBondContact CA-O 3.4Å; F650-A965 HydrophobicContact CD1-CB 3.87Å; F650-A965 HydrophobicContact CE1-CB 3.88Å; F650-E1012 HydrophobicContact CE1-CB 4.38Å; F650-E1012 HydrophobicContact CE1-CG 4.09Å; F650-E1012 HydrophobicContact CZ-CB 4.47Å; F650-E1012 HydrophobicContact CZ-CG 4.11Å; F650-L1015 HydrophobicContact CD1-CD1 4.14Å; F650-L1015 HydrophobicContact CE1-CD1 4.46Å; F650-F1016 HydrophobicContact CE1-CE1 4.11Å; F650-F1016 AromaticContact CZ-CE1 3.65Å; F650-F1016 HydrophobicContact CZ-CE1 3.65Å; F650-F1016 AromaticContact CZ-CZ 3.86Å; F650-F1016 HydrophobicContact CZ-CZ 3.86Å
651K84.9Confident83.1Confident27 Ų2751.5 Ų51.512%0.11723%0.225CC..EExtended strand (participates in β ladder)trans-75.5120.9162.1-177.2176.5-178.6-165.30108E654 S951 L952 L963 F964K651-E654 IonicContact NZ-OE1 3.68Å; K651-E654 PolarHBondContact NZ-OE1 2.67Å; K651-S951 WeakPolarHBondContact CA-O 3.47Å; K651-L952 HydrophobicContact CB-CD2 3.93Å; K651-L963 HydrophobicContact CD-CD1 4.03Å; K651-L963 HydrophobicContact CG-CD1 4.2Å; K651-L963 PolarHBondContact O-N 3.11Å; K651-F964 HydrophobicContact CB-CD1 4.28Å; K651-F964 HydrophobicContact CB-CD2 3.84Å; K651-F964 HydrophobicContact CB-CE1 3.89Å; K651-F964 HydrophobicContact CB-CE2 3.36Å; K651-F964 HydrophobicContact CB-CG 4.27Å; K651-F964 HydrophobicContact CB-CZ 3.41Å; K651-F964 VanDerWaalsContact CB-CZ 3.41Å; K651-F964 HydrophobicContact CD-CE1 4.07Å; K651-F964 HydrophobicContact CD-CZ 3.95Å; K651-F964 HydrophobicContact CG-CE1 4.46Å; K651-F964 HydrophobicContact CG-CZ 4.16Å; K651-F964 PolarHBondContact N-O 2.83Å
652V84.2Confident81.9Confident1 Ų146.3 Ų46.31%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-85.9146.2171.91770000108.5F650 S951 D960 L962F650-V652 PolarHBondContact O-N 2.67Å; V652-S951 PolarHBondContact N-O 2.91Å; V652-S951 VanDerWaalsContact N-O 3.08Å; V652-D960 HydrophobicContact CG1-CB 4.33Å; V652-L962 HydrophobicContact CG2-CD2 4.3Å
653D81.6Confident80.9Confident43 Ų4347.2 Ų47.223%0.2323%0.225CC..PPolyproline II helixtrans-63.4151174.2-173.870.3000112.4Q655 S656 V657 V961 L963D653-Q655 PolarHBondContact O-N 3.31Å; D653-Q655 VanDerWaalsContact O-N 3.16Å; D653-Q655 PolarHBondContact OD2-N 2.68Å; D653-Q655 VanDerWaalsContact OD2-N 3.14Å; D653-S656 WeakPolarHBondContact O-CA 3.37Å; D653-S656 PolarHBondContact O-N 3.3Å; D653-V657 PolarHBondContact O-N 3.4Å; D653-V961 HydrophobicContact CB-CB 3.84Å; D653-V961 HydrophobicContact CB-CG1 4.2Å; D653-V961 PolarHBondContact N-O 3.2Å; D653-V961 VanDerWaalsContact N-O 3.11Å; D653-L963 HydrophobicContact CB-CD1 4.49Å; D653-L963 HydrophobicContact CB-CD2 4.48Å; D653-L963 HydrophobicContact CB-CG 4.42Å
654E75.9Confident79.9Confident140 Ų14045.8 Ų45.865%0.65422%0.217SC*.THydrogen-bonded Turntrans-57.6-32-174.6-79.8153.2-142.800113.2K651 S656K651-E654 IonicContact NZ-OE1 3.68Å; K651-E654 PolarHBondContact NZ-OE1 2.67Å; E654-S656 PolarHBondContact O-N 2.79Å
655Q77.6Confident78.6Confident162 Ų16252.5 Ų52.576%0.75725%0.246SC*.THydrogen-bonded Turntrans-67.8-19.5174-62.5-172.5-2.600114.1D653 F658D653-Q655 PolarHBondContact O-N 3.31Å; D653-Q655 VanDerWaalsContact O-N 3.16Å; D653-Q655 PolarHBondContact OD2-N 2.68Å; D653-Q655 VanDerWaalsContact OD2-N 3.14Å; Q655-F658 VanDerWaalsContact O-CD1 3.24Å; Q655-F658 WeakPolarHBondContact O-CD1 3.48Å; Q655-F658 VanDerWaalsContact O-CE1 3.24Å; Q655-F658 WeakPolarHBondContact O-CE1 3.23Å
656S76.6Confident77.1Confident11 Ų1155.5 Ų55.58%0.07726%0.264CS..THydrogen-bonded Turntrans-108.7-6.7-177.4-64.30000113.4D653 E654 F658 R659D653-S656 WeakPolarHBondContact O-CA 3.37Å; D653-S656 PolarHBondContact O-N 3.3Å; E654-S656 PolarHBondContact O-N 2.79Å; S656-F658 PolarHBondContact O-N 3.28Å; S656-F658 VanDerWaalsContact O-N 3.16Å; S656-R659 WeakPolarHBondContact O-CB 3.48Å; S656-R659 PolarHBondContact O-N 3.01Å; S656-R659 VanDerWaalsContact O-N 3.15Å
657V75.8Confident75.6Confident19 Ų1959.1 Ų59.112%0.11528%0.28CS..G310 helixtrans-57-30.9178.5171.80000112.7D653 R659 H660 R661D653-V657 PolarHBondContact O-N 3.4Å; V657-R659 PolarHBondContact O-N 2.89Å; V657-H660 PolarHBondContact O-N 3.04Å; V657-R661 PolarHBondContact O-N 2.96Å
658F72.9Confident74.1Confident138 Ų13862.2 Ų62.261%0.60530%0.299SS*.G310 helixtrans-59.5-31.4179.878.8-92.1000113.1Q655 S656 H660 R661Q655-F658 VanDerWaalsContact O-CD1 3.24Å; Q655-F658 WeakPolarHBondContact O-CD1 3.48Å; Q655-F658 VanDerWaalsContact O-CE1 3.24Å; Q655-F658 WeakPolarHBondContact O-CE1 3.23Å; S656-F658 PolarHBondContact O-N 3.28Å; S656-F658 VanDerWaalsContact O-N 3.16Å; F658-H660 PolarHBondContact O-N 3.18Å; F658-R661 PolarHBondContact O-N 3.5Å
659R74.6Confident72.3Confident107 Ų10768 Ų6840%0.40433%0.334SS..G310 helixtrans-66.8-22.9178.3-62.6175.7175.4156.2-4.1113.3S656 V657 D959 D960S656-R659 WeakPolarHBondContact O-CB 3.48Å; S656-R659 PolarHBondContact O-N 3.01Å; S656-R659 VanDerWaalsContact O-N 3.15Å; V657-R659 PolarHBondContact O-N 2.89Å; R659-D959 VanDerWaalsContact NH1-C 3.29Å; R659-D959 PolarHBondContact NH1-O 3.25Å; R659-D960 WeakPolarHBondContact CD-OD1 3.3Å; R659-D960 IonicContact CZ-OD1 2.6Å; R659-D960 IonicContact NH1-OD1 3.08Å; R659-D960 PolarHBondContact NH1-OD1 3.06Å
660H73.8Confident70.5Confident22 Ų2275.1 Ų75.110%0.10237%0.367CS..G310 helixtrans-106.91.1-174.1-61.8-78.2000113.2V657 F658 G662 E663 S953 Q955 D960V657-H660 PolarHBondContact O-N 3.04Å; F658-H660 PolarHBondContact O-N 3.18Å; H660-G662 PolarHBondContact O-N 3.43Å; H660-E663 PolarHBondContact O-N 3.13Å; H660-S953 PolarHBondContact CE1-OG 2.73Å; H660-S953 VanDerWaalsContact CE1-OG 3.25Å; H660-S953 WeakPolarHBondContact ND1-CB 3.46Å; H660-S953 PolarHBondContact ND1-OG 2.96Å; H660-Q955 PolarHBondContact CE1-O 3.46Å; H660-Q955 VanDerWaalsContact CE1-O 3.27Å; H660-D960 IonicContact CD2-OD2 2.67Å; H660-D960 IonicContact CE1-OD2 2.71Å; H660-D960 PolarHBondContact CE1-OD2 2.99Å; H660-D960 IonicContact NE2-OD1 2.93Å; H660-D960 IonicContact NE2-OD2 3.2Å; H660-D960 PolarHBondContact NE2-OD2 3.4Å
661R66.6Low68.9Low184 Ų18478.7 Ų78.769%0.69438%0.384SS*.THydrogen-bonded Turntrans-65.3107.4172.8-76.3-173.9167.7-160.5-5.1109.7V657 F658V657-R661 PolarHBondContact O-N 2.96Å; F658-R661 PolarHBondContact O-N 3.5Å
662G63.5Low67.5Low54 Ų5479.7 Ų79.756%0.55739%0.391SS*.THydrogen-bonded Turntrans114.5-7.3176.800000115.8H660 R664 K665H660-G662 PolarHBondContact O-N 3.43Å; G662-R664 PolarHBondContact O-N 3.49Å; G662-K665 PolarHBondContact O-N 3.48Å; G662-K665 VanDerWaalsContact O-N 3.1Å
663E67.8Low66.1Low34 Ų3485.2 Ų85.216%0.15942%0.419CS..THydrogen-bonded Turntrans-51.3-23.2-178.4-162.9-153.1158.200114.1H660 S953 G954 N977H660-E663 PolarHBondContact O-N 3.13Å; E663-S953 WeakPolarHBondContact OE2-CA 3.33Å; E663-G954 WeakPolarHBondContact OE1-CA 3.28Å; E663-G954 PolarHBondContact OE1-N 3.01Å; E663-G954 VanDerWaalsContact OE1-N 3.16Å; E663-G954 PolarHBondContact OE2-N 2.89Å; E663-N977 PolarHBondContact O-ND2 3.28Å
664R69.7Low64.8Low17 Ų1789.6 Ų89.66%0.06444%0.438CS..THydrogen-bonded Turntrans-136.532.5-175.8-57.6178.7-14911014.7112.8S529 E530 N531 G662 L952S529-R664 WeakPolarHBondContact O-CA 3.44Å; S529-R664 WeakPolarHBondContact O-CB 3.26Å; E530-R664 CarbonylContact C-O 3.57Å; E530-R664 VanDerWaalsContact CA-O 3.3Å; E530-R664 WeakPolarHBondContact CA-O 3.44Å; N531-R664 HydrophobicContact CB-CB 3.97Å; N531-R664 WeakPolarHBondContact CB-O 3.46Å; N531-R664 PolarHBondContact N-O 2.88Å; G662-R664 PolarHBondContact O-N 3.49Å; R664-L952 VanDerWaalsContact CZ-O 3.31Å; R664-L952 PolarHBondContact NH1-O 2.93Å; R664-L952 PolarHBondContact NH2-O 3.38Å
665K65.6Low63.7Low142 Ų14285.1 Ų85.162%0.61742%0.418SS*.PPolyproline II helixtrans-60.9149.2172.3-168.7-167.2167.5-1530109.5G662 K667G662-K665 PolarHBondContact O-N 3.48Å; G662-K665 VanDerWaalsContact O-N 3.1Å; K665-K667 PolarHBondContact O-N 3.14Å
666V60.6Low62.7Low63 Ų6382.2 Ų82.238%0.38241%0.411SS..PPolyproline II helixtrans-57120.7165.4-174.60000108.2E530 Y532 P579E530-V666 HydrophobicContact CB-CG2 4.2Å; Y532-V666 HydrophobicContact CE2-CG2 4.41Å; P579-V666 HydrophobicContact CG-CG1 3.98Å; P579-V666 HydrophobicContact CG-CG2 4.2Å
667K60.6Low61.6Low77 Ų7786.2 Ų86.234%0.33544%0.435SS..PPolyproline II helixtrans-82.1148.3175.1-76.1-169.3158.7-155.20111.2K665 E671 D672 E675K665-K667 PolarHBondContact O-N 3.14Å; K667-E671 VanDerWaalsContact CA-OE2 3.25Å; K667-E671 WeakPolarHBondContact CA-OE2 3.48Å; K667-E671 HydrophobicContact CB-CB 4.3Å; K667-E671 HydrophobicContact CD-CB 4.46Å; K667-E671 HydrophobicContact CG-CB 4.44Å; K667-E671 PolarHBondContact NZ-O 2.81Å; K667-D672 VanDerWaalsContact CD-OD1 3.28Å; K667-D672 WeakPolarHBondContact CD-OD1 3.4Å; K667-E675 IonicContact NZ-OE2 3.7Å; K667-E675 PolarHBondContact NZ-OE2 2.97Å
668T58Low60.6Low66 Ų6688.4 Ų88.441%0.40545%0.451SS..PPolyproline II helixtrans-77.5162.8164.672.10000110.6E670 E671 D672T668-E670 PolarHBondContact O-N 3.16Å; T668-E671 PolarHBondContact N-OE2 3.45Å; T668-E671 PolarHBondContact O-N 3.45Å; T668-E671 WeakPolarHBondContact OG1-CG 3.3Å; T668-E671 PolarHBondContact OG1-N 2.94Å; T668-D672 PolarHBondContact O-N 3.17Å
669V51.8Low59.5Low121 Ų12187.4 Ų87.473%0.73344%0.443SS*.Hα-helixtrans-64.1-25.4177.6-178.80000111.6L673V669-L673 PolarHBondContact O-N 3.25Å; V669-L673 VanDerWaalsContact O-N 3.16Å
670E51.3Low58.4Low150 Ų15084.6 Ų84.670%0.70144%0.443SS*.Hα-helixtrans-73.3-47.7175.8-64.6163.1168.300110.6T668 D672 L673 E674T668-E670 PolarHBondContact O-N 3.16Å; E670-D672 VanDerWaalsContact C-N 3.31Å; E670-D672 PolarHBondContact O-N 2.73Å; E670-L673 WeakPolarHBondContact O-CA 3.43Å; E670-L673 WeakPolarHBondContact O-CB 3.27Å; E670-L673 PolarHBondContact O-N 2.89Å; E670-E674 PolarHBondContact O-N 3.34Å
671E54.3Low57.3Low74 Ų7486 Ų8635%0.34646%0.458SS..Hα-helixtrans-63.9-29.3175.4-68.5171148.400113.7K667 T668 E675K667-E671 VanDerWaalsContact CA-OE2 3.25Å; K667-E671 WeakPolarHBondContact CA-OE2 3.48Å; K667-E671 HydrophobicContact CB-CB 4.3Å; K667-E671 HydrophobicContact CD-CB 4.46Å; K667-E671 HydrophobicContact CG-CB 4.44Å; K667-E671 PolarHBondContact NZ-O 2.81Å; T668-E671 PolarHBondContact N-OE2 3.45Å; T668-E671 PolarHBondContact O-N 3.45Å; T668-E671 WeakPolarHBondContact OG1-CG 3.3Å; T668-E671 PolarHBondContact OG1-N 2.94Å; E671-E675 PolarHBondContact O-N 3.04Å
672D55.1Low56.6Low49 Ų4982.6 Ų82.626%0.26245%0.45SS..Hα-helixtrans-77-28.7172-102.1-11.6000111.6R581 K667 T668 E670 V676R581-D672 IonicContact NH1-OD1 2.61Å; R581-D672 PolarHBondContact NH1-OD1 3.25Å; R581-D672 IonicContact NH1-OD2 2.8Å; R581-D672 PolarHBondContact NH1-OD2 2.77Å; K667-D672 VanDerWaalsContact CD-OD1 3.28Å; K667-D672 WeakPolarHBondContact CD-OD1 3.4Å; T668-D672 PolarHBondContact O-N 3.17Å; E670-D672 VanDerWaalsContact C-N 3.31Å; E670-D672 PolarHBondContact O-N 2.73Å; D672-V676 VanDerWaalsContact O-CG2 3.26Å; D672-V676 WeakPolarHBondContact O-CG2 3.43Å; D672-V676 PolarHBondContact O-N 2.93Å
673L55.1Low55.9Low116 Ų11685.3 Ų85.361%0.60745%0.451SS*.Hα-helixtrans-68.6-43.9172.8-121.174.4000111.3V669 E670 V676 T677V669-L673 PolarHBondContact O-N 3.25Å; V669-L673 VanDerWaalsContact O-N 3.16Å; E670-L673 WeakPolarHBondContact O-CA 3.43Å; E670-L673 WeakPolarHBondContact O-CB 3.27Å; E670-L673 PolarHBondContact O-N 2.89Å; L673-V676 PolarHBondContact O-N 3.04Å; L673-T677 PolarHBondContact O-N 3.1Å; L673-T677 PolarHBondContact O-OG1 2.85Å
674E54.4Low55Low135 Ų13589.6 Ų89.663%0.63147%0.474SS*.Hα-helixtrans-65.9-36.5178.9-68.7-178.6161.400113.1E670 T677 S678E670-E674 PolarHBondContact O-N 3.34Å; E674-T677 WeakPolarHBondContact CA-OG1 3.34Å; E674-T677 PolarHBondContact O-OG1 3.46Å; E674-T677 VanDerWaalsContact O-OG1 3.13Å; E674-S678 WeakPolarHBondContact O-CB 3.45Å; E674-S678 PolarHBondContact O-N 3.01Å; E674-S678 VanDerWaalsContact O-N 3.09Å; E674-S678 PolarHBondContact O-OG 3.42Å
675E52.1Low53.9Low46 Ų4696 Ų9622%0.21551%0.505CS..Hα-helixtrans-68.7-34.8172.3-168.4-177.5166.800111.6K667 E671 S678 R679K667-E675 IonicContact NZ-OE2 3.7Å; K667-E675 PolarHBondContact NZ-OE2 2.97Å; E671-E675 PolarHBondContact O-N 3.04Å; E675-S678 WeakPolarHBondContact CA-OG 3.32Å; E675-S678 PolarHBondContact O-OG 3.38Å; E675-R679 WeakPolarHBondContact O-CB 3.45Å; E675-R679 PolarHBondContact O-N 2.92Å; E675-R679 IonicContact OE1-CZ 3.58Å; E675-R679 IonicContact OE1-NH1 2.87Å; E675-R679 PolarHBondContact OE1-NH1 3.09Å; E675-R679 IonicContact OE1-NH2 2.64Å
676V57.1Low52.7Low102 Ų10296.9 Ų96.962%0.61851%0.511SS*.Hα-helixtrans-71.2-38.6178.1169.50000111.9D672 L673 A680D672-V676 VanDerWaalsContact O-CG2 3.26Å; D672-V676 WeakPolarHBondContact O-CG2 3.43Å; D672-V676 PolarHBondContact O-N 2.93Å; L673-V676 PolarHBondContact O-N 3.04Å; V676-A680 VanDerWaalsContact O-CB 3.24Å; V676-A680 WeakPolarHBondContact O-CB 3.43Å; V676-A680 PolarHBondContact O-N 2.88Å
677T52.8Low51.5Low94 Ų9496.1 Ų96.158%0.57752%0.517SS*.Hα-helixtrans-70.8-45177.151.40000112.1L673 E674 A680 A681L673-T677 PolarHBondContact O-N 3.1Å; L673-T677 PolarHBondContact O-OG1 2.85Å; E674-T677 WeakPolarHBondContact CA-OG1 3.34Å; E674-T677 PolarHBondContact O-OG1 3.46Å; E674-T677 VanDerWaalsContact O-OG1 3.13Å; T677-A680 PolarHBondContact O-N 3.5Å; T677-A681 PolarHBondContact O-N 3.1Å
678S55.1Low50.2Low65 Ų65100.6 Ų100.646%0.45554%0.539SS..Hα-helixtrans-62.5-44.1176.150.70000112.6E674 E675 A680 A681 E682E674-S678 WeakPolarHBondContact O-CB 3.45Å; E674-S678 PolarHBondContact O-N 3.01Å; E674-S678 VanDerWaalsContact O-N 3.09Å; E674-S678 PolarHBondContact O-OG 3.42Å; E675-S678 WeakPolarHBondContact CA-OG 3.32Å; E675-S678 PolarHBondContact O-OG 3.38Å; S678-A680 VanDerWaalsContact C-N 3.3Å; S678-A680 PolarHBondContact O-N 2.9Å; S678-A681 WeakPolarHBondContact O-CB 3.49Å; S678-A681 PolarHBondContact O-N 2.97Å; S678-A681 VanDerWaalsContact O-N 3.13Å; S678-E682 PolarHBondContact O-N 2.86Å
679R49.6Very low49.2Very low118 Ų118106.6 Ų106.645%0.44556%0.562SS.*Hα-helixtrans-71.5-21.6175.8-176.6169-87.4136.45.7113.7E675 L683E675-R679 WeakPolarHBondContact O-CB 3.45Å; E675-R679 PolarHBondContact O-N 2.92Å; E675-R679 IonicContact OE1-CZ 3.58Å; E675-R679 IonicContact OE1-NH1 2.87Å; E675-R679 PolarHBondContact OE1-NH1 3.09Å; E675-R679 IonicContact OE1-NH2 2.64Å; R679-L683 PolarHBondContact O-N 3.37Å
680A51.4Low48.4Very low48 Ų48108.3 Ų108.340%0.39757%0.566SS.*Hα-helixtrans-73.7-33.9168.700000111.7V676 T677 S678 L683 L684V676-A680 VanDerWaalsContact O-CB 3.24Å; V676-A680 WeakPolarHBondContact O-CB 3.43Å; V676-A680 PolarHBondContact O-N 2.88Å; T677-A680 PolarHBondContact O-N 3.5Å; S678-A680 VanDerWaalsContact C-N 3.3Å; S678-A680 PolarHBondContact O-N 2.9Å; A680-L683 PolarHBondContact O-N 3.41Å; A680-L684 WeakPolarHBondContact O-CG 3.36Å; A680-L684 PolarHBondContact O-N 2.85Å
681A50.9Low47.6Very low50 Ų50109.2 Ų109.241%0.41357%0.574SS.*Hα-helixtrans-66.9-47.2173.300000112.1T677 S678 L683 L684 E685T677-A681 PolarHBondContact O-N 3.1Å; S678-A681 WeakPolarHBondContact O-CB 3.49Å; S678-A681 PolarHBondContact O-N 2.97Å; S678-A681 VanDerWaalsContact O-N 3.13Å; A681-L683 PolarHBondContact O-N 3.4Å; A681-L684 PolarHBondContact O-N 3.48Å; A681-E685 PolarHBondContact O-N 3.17Å
682E50.8Low46.4Very low113 Ų113109.4 Ų109.453%0.52860%0.596SS.*Hα-helixtrans-52.2-39.9173.9-68.7-178.5141.200112.1S678 L684 E686S678-E682 PolarHBondContact O-N 2.86Å; E682-L684 VanDerWaalsContact C-N 3.34Å; E682-E686 PolarHBondContact O-N 3.49Å; E682-E686 VanDerWaalsContact O-N 3.15Å
683L48.8Very low45Very low112 Ų112115.4 Ų115.459%0.58663%0.628SS**Hα-helixtrans-79.5-11.3179.8-79.8169.7000114.6R679 A680 A681R679-L683 PolarHBondContact O-N 3.37Å; A680-L683 PolarHBondContact O-N 3.41Å; A681-L683 PolarHBondContact O-N 3.4Å
684L50.3Low43.6Very low123 Ų123116.6 Ų116.664%0.64464%0.635SS**Hα-helixtrans-89.3-38170.7-73.5164.8000110.5A680 A681 E682 G687 E688A680-L684 WeakPolarHBondContact O-CG 3.36Å; A680-L684 PolarHBondContact O-N 2.85Å; A681-L684 PolarHBondContact O-N 3.48Å; E682-L684 VanDerWaalsContact C-N 3.34Å; L684-G687 WeakPolarHBondContact O-CA 3.46Å; L684-G687 PolarHBondContact O-N 3.19Å; L684-E688 PolarHBondContact O-N 3.45Å
685E46.7Very low42.4Very low152 Ų152114.6 Ų114.671%0.7164%0.636SS**Hα-helixtrans-61.9-41.8171.3-67.8-177.1146.900112A681 G687A681-E685 PolarHBondContact O-N 3.17Å; E685-G687 PolarHBondContact O-N 3.07Å; E685-G687 VanDerWaalsContact O-N 3.12Å
686E39.9Very low41.2Very low160 Ų160118 Ų11875%0.74867%0.665SS**Hα-helixtrans-65.9-6.8170.1-75.5-163.5151.100113.7E682E682-E686 PolarHBondContact O-N 3.49Å; E682-E686 VanDerWaalsContact O-N 3.15Å
687G35.5Very low39.8Very low48 Ų48119.9 Ų119.950%0.49567%0.672SS.*Hα-helixtrans-95-28.2-174.900000115.6L684 E685L684-G687 WeakPolarHBondContact O-CA 3.46Å; L684-G687 PolarHBondContact O-N 3.19Å; E685-G687 PolarHBondContact O-N 3.07Å; E685-G687 VanDerWaalsContact O-N 3.12Å
688E33.9Very low38.7Very low170 Ų170124.3 Ų124.379%0.79469%0.686SS**Hα-helixtrans-87.6-16.1-170.6-66-168.213900114.5L684 L690L684-E688 PolarHBondContact O-N 3.45Å; E688-L690 PolarHBondContact O-N 2.85Å
689E35.4Very low37.3Very low192 Ų192127.3 Ų127.390%0.89770%0.697SS**THydrogen-bonded Turntrans-66.810.4177-75.4-157.9143.800115.3
690L35.8Very low36.3Very low157 Ų157129.7 Ų129.782%0.82271%0.713SS**THydrogen-bonded Turntrans-123.56.4-171.1-98168.3000116.8E688E688-L690 PolarHBondContact O-N 2.85Å
691I34.5Very low35.1Very low169 Ų169130.8 Ų130.887%0.86773%0.729SS**  trans-135.188.3170-52.6-178.7000110
692G28Very low33.9Very low79 Ų79140.2 Ų140.281%0.81475%0.754SS**  trans-159143.9174.600000109.5
693D27.2Very low32.6Very low174 Ų174139.1 Ų139.193%0.9376%0.764SS**  trans-103.5-176.8-152-153.89.6000116.1
694D25.3Very low31.5Very low141 Ų141137.7 Ų137.775%0.75477%0.768SS**  trans-65.9160.3-160-164.626.6000119
695S28.1Very low30.3Very low93 Ų93138.8 Ų138.865%0.6578%0.775SS**  trans41.9115.4149-1720000121.6
696S28.2Very low29.3Very low117 Ų117140 Ų14082%0.81878%0.781SS**  -170.2159.4118.927.60000114.5
697N27.9Very low28.6Very low143 Ų143136.5 Ų136.577%0.76578%0.779SS**  trans-60.1156.9163.5-87.8-2000110.5
698E29.3Very low28.1Very low187 Ų187143 Ų14387%0.87480%0.796SS**  -163.2-134.453.6-152155.2-106.900114
699D26Very low27.5Very low127 Ų127138.9 Ų138.968%0.67979%0.786SS**  trans-110.6172.8-156.6-174.429.7000115.1
700Q29.1Very low27.1Very low168 Ų168137.2 Ų137.279%0.78578%0.778SS**  trans70.2111.2163-78.715771.500120.4
701G25.1Very low26.5Very low71 Ų71136.4 Ų136.473%0.73277%0.768SS**  89.210794.400000120.5
702R25.3Very low25.9Very low248 Ų248135.9 Ų135.994%0.93676%0.762SS**  trans67.2117.6149.7-76-176.4172.3172.1-2.2120.3
703A25Very low25.8Very low91 Ų91135.7 Ų135.775%0.75275%0.753SS**  77.7114.5120.800000120.8
704A25.2Very low25.5Very low81 Ų81135.9 Ų135.967%0.66975%0.748SS**  91.5140.3121.600000120.7
705D25.9Very low25.5Very low146 Ų146136.5 Ų136.578%0.78175%0.749SS**  trans76.9120.7147-55.3-18.4000122.8
706E25.2Very low25.3Very low179 Ų179136 Ų13684%0.83675%0.749SS**  trans76.299.9132.8-67.8-175.1169.100122.3
707A24.6Very low25.1Very low85 Ų85134.8 Ų134.870%0.70275%0.747SS**  98.2137.510400000121.2
708E24.4Very low25Very low184 Ų184133 Ų13386%0.8675%0.752SS**  trans45.2123.7140.8-68.5-167.516300119.8
709S22.9Very low24.8Very low84 Ų84128.8 Ų128.859%0.58775%0.749SS**  cis167.6179.425.650.70000110
710H25.8Very low24.7Very low157 Ų157131.4 Ų131.473%0.72776%0.757SS**  trans53.8129145.2-68-33.2000119.4
711K24.1Very low25.8Very low141 Ų141129 Ų12961%0.61376%0.756SS**  cis165.2162.522.7-119.9170.9161.1-136.10106.6
712E22.3Very low25.8Very low157 Ų157129 Ų12973%0.73476%0.756SS**  trans63.2150.7146.3-69.8158.2-166.800118.9
713A24.3Very low25.8Very low76 Ų76124.1 Ų124.163%0.62875%0.749SS**  cis-169171.8-23.400000108.4
714E22.6Very low25.9Very low178 Ų178126.4 Ų126.483%0.83275%0.746SS**  trans65.7154.9156-78.1-176.5-179.300118.4
715M23.5Very low25.9Very low154 Ų154130.9 Ų130.976%0.75975%0.753SS**  cis-156.1150.7-30.2-136.817772.700111.3
716A24.7Very low25.9Very low81 Ų81130.5 Ų130.567%0.66975%0.751SS**  trans65.6146.1141.100000124.1
717A24.8Very low26Very low93 Ų93129.3 Ų129.377%0.76975%0.75SS**  trans86.476.7137.900000122.4
718A24.5Very low26.1Very low104 Ų104127.9 Ų127.986%0.8674%0.743SS**  69.1160107.500000123.7
719A24.8Very low26.2Very low99 Ų99126.1 Ų126.182%0.81874%0.74SS**  trans83.891160.500000120.9
720Q25.1Very low26.7Very low182 Ų182128 Ų12885%0.8574%0.743SS**  trans-20.8171.8131.8-81.5-178.21.900119
721P51.1Low26.8Very low117 Ų117128.8 Ų128.876%0.7675%0.747SS**  cis-143.7175.7-21.236.3-17.1000116.7
722G25.5Very low27.2Very low72 Ų72129 Ų12974%0.74276%0.755SS**  trans86.7165.1152.500000117.5
723D26.3Very low27.5Very low145 Ų145126.7 Ų126.778%0.77576%0.756SS**  cis-166.5167.8-17.1-147.2-16.1000109.7
724M26Very low27.6Very low139 Ų139126.5 Ų126.569%0.68576%0.762SS**  trans68.8128.5165-64.5168.5-179.800118.8
725E25.8Very low28Very low175 Ų175124.5 Ų124.582%0.81876%0.762SS**  84.3151.2104.9-72.5174.8-166.300114.6
726D26.1Very low28.2Very low139 Ų139125.4 Ų125.474%0.74376%0.764SS**  cis-167.2161.2-17.1-177.731.8000109
727D25.9Very low28.4Very low154 Ų154127.7 Ų127.782%0.82477%0.765SS**  trans42161.8169.1-101.3-14.6000121.3
728G27Very low28.6Very low54 Ų54130.3 Ų130.356%0.55776%0.761SS**  cis162.1159-3.900000111.6
729N28.2Very low28.7Very low148 Ų148129.1 Ų129.179%0.79174%0.743SS**  trans66.2154.3159.8-90.739.2000121.2
730D31.6Very low28.7Very low122 Ų122131.2 Ų131.265%0.65273%0.734SS**  cis-167.3-177.8-19.6-142.7-25.6000112.8
731E29.7Very low28.7Very low175 Ų175127.3 Ų127.382%0.81873%0.727SS**  trans69.3151.4154.4-71.5176.2-167.100121
732D32.2Very low27.6Very low144 Ų144128.2 Ų128.277%0.7773%0.726SS**  cis-168168.3-24.4-178.642.8000112.2
733S27.7Very low27.8Very low109 Ų109133.3 Ų133.376%0.76273%0.73SS**  trans76.9141.2163.377.30000117.6
734G27Very low27.8Very low73 Ų73135.6 Ų135.675%0.75373%0.733SS**  cis170-178.51.500000107.3
735V30.2Very low27.8Very low135 Ų135134 Ų13482%0.81874%0.735SS**  cis-161165.1-12.4-153.10000103.3
736E28.6Very low28.2Very low173 Ų173135.1 Ų135.181%0.80874%0.738SS**  cis-157.7139.39.9-155164-104.600107.3
737D28.4Very low29.7Very low130 Ų130134 Ų13470%0.69574%0.738SS**  34.7144.2118.3-135.326.2000118.4T739D737-T739 WeakPolarHBondContact OD1-CG2 3.46Å
738E28.9Very low29.5Very low147 Ų147133.6 Ų133.669%0.68774%0.736SS**  cis-113.5171.63.6-84.4-130.5148.100111.5K740E738-K740 IonicContact OE1-NZ 2.66Å; E738-K740 PolarHBondContact OE1-NZ 3.28Å; E738-K740 IonicContact OE2-NZ 3.83Å; E738-K740 PolarHBondContact OE2-NZ 3.11Å
739T27.8Very low29.7Very low79 Ų79137 Ų13749%0.48575%0.746SS.*  cis-170.5-166.4-34.951.40000105.5D737D737-T739 WeakPolarHBondContact OD1-CG2 3.46Å
740K24.3Very low29.7Very low143 Ų143135.7 Ų135.762%0.62275%0.749SS**  cis-156.1142.44.6-142.3159.1-123.9107.40111.4E738E738-K740 IonicContact OE1-NZ 2.66Å; E738-K740 PolarHBondContact OE1-NZ 3.28Å; E738-K740 IonicContact OE2-NZ 3.83Å; E738-K740 PolarHBondContact OE2-NZ 3.11Å
741S24.8Very low29.5Very low100 Ų100137.2 Ų137.270%0.69976%0.756SS**  trans4.3137.6170.560.80000123.3
742D28Very low29.4Very low137 Ų137134.7 Ų134.773%0.73376%0.757SS**  cis80.2159.336.2-79.20.3000116.1
743Q29.6Very low29.5Very low178 Ų178136.2 Ų136.283%0.83276%0.764SS**  cis-148.9-159.415.8-142148.661.500116.2
744F25.8Very low29.5Very low194 Ų194136.6 Ų136.685%0.85177%0.767SS**  trans-124.5-166.7-159-142.4-101.7000112.6
745S26.7Very low29.7Very low104 Ų104140.9 Ų140.973%0.72777%0.767SS**  trans111157.7148.281.10000121.8
746F33.8Very low29.4Very low200 Ų200141.4 Ų141.488%0.87777%0.765SS**  trans-143.4176175.5-79-88.1000105.6
747P57Low29.5Very low114 Ų114142 Ų14274%0.7477%0.767SS**  cis-131.3-163.35.543.5-25.3000113.3
748D23Very low29.7Very low147 Ų147141 Ų14179%0.78677%0.768SS**  -178.1-176.7107.2-150.3-15.1000111.5
749T29.9Very low29.5Very low125 Ų125140.3 Ų140.377%0.76777%0.768SS**  trans-127.4154.9-166.663.80000114.7
750S27.8Very low29.3Very low121 Ų121146.6 Ų146.685%0.84678%0.783SS**  trans-157.1151.3155.155.70000111.3
751I27.9Very low29.2Very low154 Ų154147.9 Ų147.979%0.7979%0.793SS**  trans-116.7138.4-177.7-62.8171.9000109.4
752S27.6Very low29.2Very low122 Ų122147.4 Ų147.485%0.85380%0.795SS**  trans-156.8127.2154-85.90000112.3
753L34.3Very low29.1Very low175 Ų175149.6 Ų149.692%0.91680%0.8SS**  trans-88.9137.3172.5-75.2158.7000109.9
754S29.2Very low29.1Very low118 Ų118147.9 Ų147.983%0.82580%0.797SS**  trans-150.1142.9160.355.80000112.8
755H30.1Very low29.4Very low163 Ų163143.1 Ų143.176%0.75579%0.786SS**  trans12117.1169.8-97.152000119.3
756L24.2Very low29.2Very low146 Ų146143 Ų14376%0.76479%0.785SS**  60.7130.475-70.3169.1000115
757Q29.5Very low28.6Very low184 Ų184142.1 Ų142.186%0.8678%0.781SS**  trans-62.1160.5171.9-56.3-179.8-33.400111.4
758P33.2Very low27Very low111 Ų111144.7 Ų144.772%0.72178%0.78SS**  -147.3143102.436.5-20.3000117.3
759I24.1Very low27Very low132 Ų132143 Ų14368%0.67777%0.772SS**  68.4103.8128.8-62.6175.8000120.3
760R23.7Very low26.6Very low211 Ų211144.8 Ų144.880%0.79677%0.771SS**  61.7156.7127.7-57.1-179.3-175160.6-2.5122.9
761M23.6Very low26.4Very low170 Ų170146.2 Ų146.284%0.83778%0.775SS**  trans77.2116.2160.6-51.5-143.7154.400115.3
762A24Very low26.2Very low89 Ų89144.6 Ų144.674%0.73677%0.772SS**  cis84.490.23900000114.4
763H26.4Very low26Very low184 Ų184145.6 Ų145.685%0.85277%0.773SS**  trans-150.7140.8133.3-123.8-77.4000111.3
764N29.8Very low25.6Very low141 Ų141145.5 Ų145.575%0.75477%0.768SS**  trans-114.9143.9150.3-163.52.5000104.2
765P32.2Very low25.4Very low95 Ų95145.7 Ų145.762%0.61776%0.764SS**  -155.5167.8107.939.5-22.1000116.2
766S21.6Very low25.1Very low102 Ų102146.7 Ų146.771%0.71377%0.769SS**  trans62120.1149.5-63.70000119.1
767F21.2Very low25.1Very low181 Ų181144.7 Ų144.779%0.79477%0.774SS**  91.1112.955.2-94.7-125.2000115.1
768K23Very low24.9Very low168 Ų168143.4 Ų143.473%0.7377%0.773SS**  trans92.8136.2134.8-81.6-169.8173.2-1700122.4
769N23.1Very low24.7Very low112 Ų112143.6 Ų143.660%0.59978%0.777SS**  trans68.4108.4144.6-71.350.9000117.6
770E21.5Very low25.1Very low162 Ų162146 Ų14676%0.75779%0.785SS**  89.6104.963.9-83.4-178.8150.700112.4
771T23.7Very low25.2Very low151 Ų151140 Ų14093%0.92679%0.789SS**  trans-146.8150.3141.6-36.80000108.4
772T23.6Very low25.6Very low120 Ų120141.4 Ų141.474%0.73679%0.79SS**  trans-111.9140.8-156.7-51.60000112.9
773T24.3Very low26Very low142 Ų142147.4 Ų147.487%0.87180%0.8SS**  trans-137.5140.8151.8-23.40000110.6
774Q25.5Very low26.4Very low174 Ų174146.9 Ų146.981%0.81380%0.797SS**  trans-71.5165.9179.8-56.8151.9-32.100109.8
775V24Very low26.8Very low122 Ų122147.1 Ų147.174%0.73980%0.796SS**  cis-154.5159.340.6170.80000111.1
776E23.7Very low27.6Very low184 Ų184146.3 Ų146.386%0.8679%0.792SS**  trans-19.1137166.8-52.6171.9147.800120.3
777A24.8Very low28.8Very low104 Ų104145.5 Ų145.586%0.8679%0.791SS**  179.8132.4107.700000111.7
778D26.8Very low30.2Very low157 Ų157146.9 Ų146.984%0.8479%0.791SS**  trans-109.3134.7-176.8-167.12.3000111.9
779S28.4Very low31.5Very low115 Ų115144.3 Ų144.380%0.80478%0.782SS**  trans-15283-176.863.20000115.6
780Q31.2Very low32.6Very low181 Ų181149 Ų14985%0.84679%0.792SS**  trans-86.8114162.9-68.9-166.9-4.200112
781G27.7Very low33.6Very low85 Ų85151.6 Ų151.688%0.87679%0.794SS**  trans-69.9135.3-176.600000114.7
782K31.4Very low34.6Very low200 Ų200151.3 Ų151.387%0.8778%0.783SS**  trans-107.5137.7176.9-66.4164.7-177160.10110.9
783K31.8Very low35.5Very low216 Ų216153.6 Ų153.694%0.93979%0.785SS**  trans-104.488.5159.8-66.9-177.5178.6179.80107.3
784H34.2Very low36.1Very low173 Ų173156 Ų15680%0.80178%0.783SS**  80.811886.6-161.9-86.4000113
785M39.3Very low36.7Very low146 Ų146156.8 Ų156.872%0.71978%0.784SS**  trans-123.8144-178-80.8-72.7-71.800109.8Q789M785-Q789 VanDerWaalsContact CE-OE1 3.3Å
786S49.4Very low37.3Very low77 Ų77160.4 Ų160.454%0.53879%0.789SS.*  trans-72.4138.9-171.5-175.90000113.8R788 Q789S786-R788 PolarHBondContact O-N 3.45Å; S786-R788 VanDerWaalsContact O-N 3.07Å; S786-Q789 PolarHBondContact O-N 2.9Å
787A46.2Very low37.8Very low85 Ų85161 Ų16170%0.70279%0.789SS**THydrogen-bonded Turntrans-61.8-19.5-172.800000115
788R50.6Low37.9Very low210 Ų210165 Ų16579%0.79279%0.79SS**THydrogen-bonded Turntrans-69.9-35.3-178.6-162.2168.3-178.2159.90112.9S786 R790 R791S786-R788 PolarHBondContact O-N 3.45Å; S786-R788 VanDerWaalsContact O-N 3.07Å; R788-R790 PolarHBondContact O-N 2.98Å; R788-R791 PolarHBondContact O-N 3.05Å
789Q49.8Very low37.9Very low114 Ų114167.6 Ų167.653%0.53379%0.794SS.*G310 helixtrans-72-27-177.8-74.6173.9-42.600113.3M785 S786 R791M785-Q789 VanDerWaalsContact CE-OE1 3.3Å; S786-Q789 PolarHBondContact O-N 2.9Å; Q789-R791 VanDerWaalsContact C-N 3.25Å; Q789-R791 PolarHBondContact O-N 2.9Å
790R45.8Very low37.7Very low212 Ų212171 Ų17180%0.880%0.797SS**G310 helixtrans-71.5-11.9177.8-84.3-177.2166.3-179.1-4.8114.8R788R788-R790 PolarHBondContact O-N 2.98Å
791R44.3Very low37.4Very low216 Ų216171.3 Ų171.382%0.81580%0.799SS**G310 helixtrans-93.7-19.2-175.2-151.2173.1-171.1-179.72.5113.9R788 Q789R788-R791 PolarHBondContact O-N 3.05Å; Q789-R791 VanDerWaalsContact C-N 3.25Å; Q789-R791 PolarHBondContact O-N 2.9Å
792E43.1Very low37.1Very low145 Ų145174.1 Ų174.168%0.67879%0.794SS**THydrogen-bonded Turntrans-88.3-42.3-178.5-65.5-179.4157.300111.9K794 K795E792-K794 PolarHBondContact O-N 3.37Å; E792-K795 PolarHBondContact O-N 2.98Å; E792-K795 VanDerWaalsContact O-N 3.11Å
793E42.4Very low36.7Very low167 Ų167169.8 Ų169.878%0.7879%0.787SS**G310 helixtrans-62.1-30.7178.9-62.5-171.113500113K795E793-K795 VanDerWaalsContact C-N 3.28Å; E793-K795 PolarHBondContact O-N 3.41Å
794K38.8Very low36.4Very low192 Ų192166.9 Ų166.984%0.83578%0.782SS**G310 helixtrans-80.2-1.8179.2-144.1179.8-177.6-175.20114.2E792E792-K794 PolarHBondContact O-N 3.37Å
795K36.5Very low35.8Very low191 Ų191161.1 Ų161.183%0.8377%0.769SS**G310 helixtrans-108.413-179.8-145.4-175.8-178.8-174.40114.3E792 E793E792-K795 PolarHBondContact O-N 2.98Å; E792-K795 VanDerWaalsContact O-N 3.11Å; E793-K795 VanDerWaalsContact C-N 3.28Å; E793-K795 PolarHBondContact O-N 3.41Å
796K36.9Very low35.2Very low198 Ų198163.1 Ų163.186%0.86178%0.777SS**SBendtrans-120.823.3179.5-122.7178.4-174.7-179.20114.3
797K34.1Very low34Very low197 Ų197166.1 Ų166.186%0.85778%0.783SS**SBendtrans-149.954.3-178.5-130.8-172.9-177.1-163.50114
798Q27.8Very low33.1Very low187 Ų187169.8 Ų169.887%0.87478%0.782SS**  trans-163.2145.4163.8-116.4169.6-11.900109.9
799K25.6Very low31.8Very low213 Ų213164.7 Ų164.793%0.92678%0.779SS**  trans61.3125.7-150.8-53.2-167.3175-1620110.4
800Q24.3Very low30.6Very low187 Ų187167 Ų16787%0.87479%0.79SS**  cis-146.4135.339.4-177.8174.81.500111.6
801E24.5Very low29.6Very low187 Ų187163 Ų16387%0.87479%0.789SS**  trans-155.2170.2166.1-119.7163-163.600106.3
802D23.2Very low28.8Very low144 Ų144157.4 Ų157.477%0.7778%0.783SS**  trans66.8121.8-151.9-55.4-31.6000112.3
803C22.8Very low27.9Very low109 Ų109156.1 Ų156.174%0.73679%0.79SS**  cis84.5133.337.7-62.90000113.4
804D24.2Very low27.1Very low154 Ų154154.7 Ų154.782%0.82479%0.792SS**  cis-160.5-178.7-15.4-119.3-67000107.9
805G23.1Very low26.5Very low52 Ų52153.1 Ų153.154%0.53679%0.793SS.*  cis177.4-150.54.600000111.3
806E25.4Very low26Very low189 Ų189152.1 Ų152.188%0.88380%0.796SS**  trans67.3150.8172.1-62.5-168.514600117.9
807E24.8Very low25.4Very low140 Ų140146.5 Ų146.565%0.65479%0.794SS**  cis-142.1-171.71.6-138.3-164.1169.800114
808K27.2Very low25.1Very low161 Ų161142.4 Ų142.470%0.779%0.79SS**  trans-60.4165.6-167.8-56.8134.2-172.21640114.3
809S23.5Very low25.1Very low104 Ų104143.4 Ų143.473%0.72779%0.792SS**  cis-159.8-178.626.471.50000109.9
810E24Very low25Very low162 Ų162137.1 Ų137.176%0.75779%0.787SS**  cis-168.5-171.5-25.6-103.2173.469.800106.3
811V25.4Very low25Very low127 Ų127132.1 Ų132.177%0.7779%0.786SS**  cis-143.8-141.113.772.50000110.6
812S27.1Very low25Very low100 Ų100127.3 Ų127.370%0.69979%0.787SS**  trans-105168.5-177.572.20000112.1
813S24.1Very low25.2Very low117 Ų117124.4 Ų124.482%0.81879%0.791SS**  cis-148.6-176.249.560.40000115.5
814V26.4Very low25.5Very low137 Ų137124.6 Ų124.683%0.8379%0.793SS**  trans-130.6159.8-158.2-74.20000113.3
815D24.5Very low25.9Very low160 Ų160123.2 Ų123.286%0.85680%0.796SS**  trans-155.5170.4131.2-142.9-22.5000112.6
816L26.9Very low26.5Very low170 Ų170129.4 Ų129.489%0.8981%0.811SS**  trans-120.3150.7-170-75.9160.8000113.3
817G25.1Very low26.9Very low80 Ų80129 Ų12983%0.82581%0.809SS**  trans-159.7145.517300000111.6
818S27.3Very low27.4Very low111 Ų111128.2 Ų128.278%0.77682%0.816SS**  trans-138.2160.1-161-167.70000115.4
819K27Very low28.4Very low207 Ų207126.3 Ų126.390%0.981%0.813SS**  trans71.4143.4175.8-51.8171.6-176.7173.60115.4
820G23.8Very low29.4Very low81 Ų81130 Ų13084%0.83582%0.816SS**  cis162.7153.9-13.100000114.2
821G24.2Very low30Very low82 Ų82134.8 Ų134.885%0.84583%0.827SS**  trans121.3133.4154.400000119
822G25.4Very low31Very low87 Ų87131 Ų13190%0.89781%0.813SS**  trans7649.8139.900000120.7
823G27Very low32.4Very low82 Ų82131 Ų13185%0.84580%0.802SS**  trans-89.4118171.900000114.1
824S30.1Very low34.2Very low113 Ų113133.2 Ų133.279%0.7980%0.797SS**  trans-82.1148.7171.359.30000112.3Q826S824-Q826 PolarHBondContact O-N 2.76Å
825S31.6Very low35.7Very low126 Ų126132.4 Ų132.488%0.88179%0.788SS**  trans-74.9108.1-168.657.50000113.7
826Q35.4Very low37.2Very low182 Ų182132.3 Ų132.385%0.8578%0.78SS**  trans-100.1143.5165.8-67.8-167.30.200112S824S824-Q826 PolarHBondContact O-N 2.76Å
827Q34.3Very low38.5Very low180 Ų180129.7 Ų129.784%0.84177%0.766SS**  trans-69.8148.2-179.9-68.4-176.3-8.300112.5L829Q827-L829 PolarHBondContact O-N 3.27Å; Q827-L829 VanDerWaalsContact O-N 3.14Å
828P35.6Very low40.7Very low124 Ų124132.7 Ų132.781%0.80576%0.757SS**  trans-69.7110.4-178.527.1-34.4000112.7K830P828-K830 PolarHBondContact O-N 2.73Å
829L47.5Very low42.5Very low121 Ų121134.6 Ų134.663%0.63475%0.751SS**  trans-58.7131.5175.4-65.6173.4000112.1Q827Q827-L829 PolarHBondContact O-N 3.27Å; Q827-L829 VanDerWaalsContact O-N 3.14Å
830K44.8Very low44Very low182 Ų182129.1 Ų129.179%0.79173%0.73SS**  trans-64.2141.6-171.2-68.7-178.6178.9177.20112.8P828 G832 Q833P828-K830 PolarHBondContact O-N 2.73Å; K830-G832 PolarHBondContact O-N 2.86Å; K830-Q833 PolarHBondContact O-N 2.78Å
831R37.1Very low45.8Very low262 Ų262133.4 Ų133.499%0.98973%0.726SS**THydrogen-bonded Turntrans-54.797.8-176.7178.5174.5166.4175.5-4.9111.9
832G46.7Very low47.7Very low46 Ų46135.4 Ų135.447%0.47471%0.714SS.*THydrogen-bonded Turntrans158.1-40.8179.100000112.5K830 K834 N835 K836K830-G832 PolarHBondContact O-N 2.86Å; G832-K834 PolarHBondContact O-N 2.7Å; G832-N835 PolarHBondContact O-N 3.37Å; G832-K836 PolarHBondContact O-N 3.33Å
833Q55.9Low49.2Very low102 Ų102138.4 Ų138.448%0.47770%0.702SS.*Hα-helixtrans-63.6-38.2178.8-75.6171.9-34.800112.6K830 N835 K836 L837K830-Q833 PolarHBondContact O-N 2.78Å; Q833-N835 VanDerWaalsContact C-N 3.3Å; Q833-N835 PolarHBondContact O-N 2.98Å; Q833-K836 WeakPolarHBondContact O-CB 3.39Å; Q833-K836 PolarHBondContact O-N 3.21Å; Q833-L837 VanDerWaalsContact O-CD1 3.31Å; Q833-L837 WeakPolarHBondContact O-CD1 3.31Å; Q833-L837 PolarHBondContact O-N 2.98Å
834K60.9Low50.4Low163 Ų163138.6 Ų138.671%0.70968%0.678SS**Hα-helixtrans-56.3-38.1176.8-71.5-168.9175.8-173.90113.3G832 L837 K838G832-K834 PolarHBondContact O-N 2.7Å; K834-L837 PolarHBondContact O-N 3.5Å; K834-K838 WeakPolarHBondContact O-CB 3.47Å; K834-K838 PolarHBondContact O-N 3.1Å
835N59.4Low51.6Low120 Ų120140.6 Ų140.664%0.64267%0.672SS**Hα-helixtrans-74.4-29.8176.4-81.924.1000112.9G832 Q833 K839G832-N835 PolarHBondContact O-N 3.37Å; Q833-N835 VanDerWaalsContact C-N 3.3Å; Q833-N835 PolarHBondContact O-N 2.98Å; N835-K839 WeakPolarHBondContact O-CB 3.46Å; N835-K839 WeakPolarHBondContact O-CG 3.17Å; N835-K839 PolarHBondContact O-N 2.59Å; N835-K839 VanDerWaalsContact O-N 3.11Å
836K56.4Low52.6Low157 Ų157140.9 Ų140.968%0.68366%0.664SS**Hα-helixtrans-65.6-49.6168.3-87-167.8172.7-172.90110.8G832 Q833 K838 K839 I840G832-K836 PolarHBondContact O-N 3.33Å; Q833-K836 WeakPolarHBondContact O-CB 3.39Å; Q833-K836 PolarHBondContact O-N 3.21Å; K836-K838 VanDerWaalsContact C-N 3.35Å; K836-K838 PolarHBondContact O-N 3.26Å; K836-K839 PolarHBondContact O-N 3.47Å; K836-I840 WeakPolarHBondContact O-CB 3.34Å; K836-I840 WeakPolarHBondContact O-CD1 3.34Å; K836-I840 WeakPolarHBondContact O-CG1 3.42Å; K836-I840 PolarHBondContact O-N 3.2Å
837L53.8Low53.5Low115 Ų115135.9 Ų135.960%0.60264%0.641SS**Hα-helixtrans-61.6-39.9178.1-88.284000112.4Q833 K834 I840 K841Q833-L837 VanDerWaalsContact O-CD1 3.31Å; Q833-L837 WeakPolarHBondContact O-CD1 3.31Å; Q833-L837 PolarHBondContact O-N 2.98Å; K834-L837 PolarHBondContact O-N 3.5Å; L837-I840 PolarHBondContact O-N 2.96Å; L837-K841 WeakPolarHBondContact O-CB 3.47Å; L837-K841 PolarHBondContact O-N 3.44Å
838K70.4Confident55Low144 Ų144133.4 Ų133.463%0.62663%0.633SS**Hα-helixtrans-62.3-49.4176.2-161.9175.7-177.1-175.40111K834 K836 I840 K841 E842K834-K838 WeakPolarHBondContact O-CB 3.47Å; K834-K838 PolarHBondContact O-N 3.1Å; K836-K838 VanDerWaalsContact C-N 3.35Å; K836-K838 PolarHBondContact O-N 3.26Å; K838-I840 VanDerWaalsContact C-N 3.29Å; K838-I840 PolarHBondContact O-N 2.96Å; K838-K841 PolarHBondContact O-N 3.05Å; K838-E842 WeakPolarHBondContact O-CB 3.48Å; K838-E842 PolarHBondContact O-N 3.05Å
839K64.4Low56Low151 Ų151133.6 Ų133.666%0.65762%0.623SS**Hα-helixtrans-63.9-28.2175.5-74.4-165.7172.5-161.80114.3N835 K836 K843N835-K839 WeakPolarHBondContact O-CB 3.46Å; N835-K839 WeakPolarHBondContact O-CG 3.17Å; N835-K839 PolarHBondContact O-N 2.59Å; N835-K839 VanDerWaalsContact O-N 3.11Å; K836-K839 PolarHBondContact O-N 3.47Å; K839-K843 WeakPolarHBondContact O-CB 3.39Å; K839-K843 PolarHBondContact O-N 3.44Å
840I60.4Low56.6Low91 Ų91134.7 Ų134.747%0.46763%0.625SS.*Hα-helixtrans-71.7-51.2173.4-72.9165.6000109.6K836 L837 K838 E842 K843 Y844K836-I840 WeakPolarHBondContact O-CB 3.34Å; K836-I840 WeakPolarHBondContact O-CD1 3.34Å; K836-I840 WeakPolarHBondContact O-CG1 3.42Å; K836-I840 PolarHBondContact O-N 3.2Å; L837-I840 PolarHBondContact O-N 2.96Å; K838-I840 VanDerWaalsContact C-N 3.29Å; K838-I840 PolarHBondContact O-N 2.96Å; I840-E842 PolarHBondContact O-N 3.5Å; I840-K843 PolarHBondContact O-N 2.92Å; I840-K843 VanDerWaalsContact O-N 3.16Å; I840-Y844 HydrophobicContact CG2-CD2 3.81Å; I840-Y844 HydrophobicContact CG2-CE2 4.16Å; I840-Y844 WeakPolarHBondContact O-CD2 3.48Å; I840-Y844 PolarHBondContact O-N 3.05Å
841K60.3Low57.5Low172 Ų172129.6 Ų129.675%0.74861%0.607SS**Hα-helixtrans-62.9-29.3178-170172.3-177.4178.10112.9L837 K838 K845L837-K841 WeakPolarHBondContact O-CB 3.47Å; L837-K841 PolarHBondContact O-N 3.44Å; K838-K841 PolarHBondContact O-N 3.05Å; K841-K845 WeakPolarHBondContact O-CA 3.36Å; K841-K845 WeakPolarHBondContact O-CB 3.31Å; K841-K845 PolarHBondContact O-N 3.32Å
842E64.6Low58.6Low124 Ų124123.7 Ų123.758%0.57958%0.584SS**Hα-helixtrans-78.7-33.7175.9-172.8169.1-125.700112.5K838 I840K838-E842 WeakPolarHBondContact O-CB 3.48Å; K838-E842 PolarHBondContact O-N 3.05Å; I840-E842 PolarHBondContact O-N 3.5Å
843K57Low59.1Low150 Ų150128 Ų12865%0.65259%0.592SS**Hα-helixtrans-77.9-25.6175.2-174.3-178.2177.7-160.60113.5K839 I840K839-K843 WeakPolarHBondContact O-CB 3.39Å; K839-K843 PolarHBondContact O-N 3.44Å; I840-K843 PolarHBondContact O-N 2.92Å; I840-K843 VanDerWaalsContact O-N 3.16Å
844Y51.1Low59.3Low86 Ų86128.6 Ų128.634%0.33760%0.598SS.*THydrogen-bonded Turntrans-119.435-177.7-54.6-62.8000111.5I840I840-Y844 HydrophobicContact CG2-CD2 3.81Å; I840-Y844 HydrophobicContact CG2-CE2 4.16Å; I840-Y844 WeakPolarHBondContact O-CD2 3.48Å; I840-Y844 PolarHBondContact O-N 3.05Å
845K55.4Low58.7Low154 Ų154125.6 Ų125.667%0.6759%0.588SS**THydrogen-bonded Turntrans-72.4-34.1177.5-174.9-176.2160-93.20111.9K841K841-K845 WeakPolarHBondContact O-CA 3.36Å; K841-K845 WeakPolarHBondContact O-CB 3.31Å; K841-K845 PolarHBondContact O-N 3.32Å
846D54.1Low58.4Low132 Ų132126.7 Ų126.771%0.70659%0.59SS**THydrogen-bonded Turntrans-115.940.6-168.6-36-63.6000110.4
847Q52.4Low58.4Low78 Ų78126.3 Ų126.336%0.36459%0.591SS.*SBendtrans-116.5144.7170.1-79.7-159-79.700110.8D851Q847-D851 PolarHBondContact NE2-OD2 3.31Å
848D67.4Low58.3Low128 Ų128126.6 Ų126.668%0.68459%0.593SS**  trans-61147.8176.8-59.5-50.6000112.5E850 D851 R852D848-E850 VanDerWaalsContact C-N 3.32Å; D848-E850 PolarHBondContact O-N 3.23Å; D848-D851 WeakPolarHBondContact O-CB 3.31Å; D848-D851 PolarHBondContact O-N 2.92Å; D848-R852 PolarHBondContact O-N 2.99Å
849E56.2Low57.2Low128 Ų128126.8 Ų126.860%0.59860%0.6SS**Hα-helixtrans-66.6-33.3-173.5-154.3119.4-124.100112D851 R852 E853E849-D851 PolarHBondContact O-N 3.46Å; E849-R852 PolarHBondContact O-N 3.36Å; E849-R852 IonicContact OE1-CZ 2.6Å; E849-R852 IonicContact OE1-NH1 3.56Å; E849-R852 PolarHBondContact OE1-NH1 3.38Å; E849-E853 PolarHBondContact O-N 3.22Å
850E60.7Low56Low143 Ų143122.6 Ų122.667%0.66860%0.6SS**Hα-helixtrans-58.3-45.1171.9-64.7-177.3-170.500112.4R150 D848 R852 E853 L854R150-E850 IonicContact NH2-OE1 3.41Å; D848-E850 VanDerWaalsContact C-N 3.32Å; D848-E850 PolarHBondContact O-N 3.23Å; E850-R852 VanDerWaalsContact C-N 3.3Å; E850-R852 PolarHBondContact O-N 2.62Å; E850-E853 PolarHBondContact O-N 3.49Å; E850-L854 PolarHBondContact O-N 2.76Å
851D62.3Low54.9Low76 Ų76122.8 Ų122.841%0.40661%0.609SS.*Hα-helixtrans-67.3-35.4-178.1-129.132.9000110.6Q847 D848 E849 M855Q847-D851 PolarHBondContact NE2-OD2 3.31Å; D848-D851 WeakPolarHBondContact O-CB 3.31Å; D848-D851 PolarHBondContact O-N 2.92Å; E849-D851 PolarHBondContact O-N 3.46Å; D851-M855 WeakPolarHBondContact O-CB 3.5Å; D851-M855 PolarHBondContact O-N 3.47Å; D851-M855 VanDerWaalsContact O-N 3.12Å
852R60.1Low53.9Low137 Ų137119 Ų11952%0.51761%0.61SS.*Hα-helixtrans-71.2-39.5176177.7172.8158.4-137.8-17.9112.5D848 E849 E850 M856D848-R852 PolarHBondContact O-N 2.99Å; E849-R852 PolarHBondContact O-N 3.36Å; E849-R852 IonicContact OE1-CZ 2.6Å; E849-R852 IonicContact OE1-NH1 3.56Å; E849-R852 PolarHBondContact OE1-NH1 3.38Å; E850-R852 VanDerWaalsContact C-N 3.3Å; E850-R852 PolarHBondContact O-N 2.62Å; R852-M856 WeakPolarHBondContact O-CB 3.47Å; R852-M856 PolarHBondContact O-N 2.84Å
853E58.6Low52.2Low138 Ų138116.2 Ų116.265%0.64561%0.614SS**Hα-helixtrans-66.4-43.6173.6-73.3-161.5151.800112.1E849 E850 M855 M856 Q857E849-E853 PolarHBondContact O-N 3.22Å; E850-E853 PolarHBondContact O-N 3.49Å; E853-M855 VanDerWaalsContact C-N 3.32Å; E853-M855 PolarHBondContact O-N 3.18Å; E853-M856 CarbonylContact O-C 3.52Å; E853-M856 PolarHBondContact O-N 3.47Å; E853-Q857 PolarHBondContact O-N 3.12Å
854L59.8Low50.7Low113 Ų113114.1 Ų114.159%0.59263%0.625SS**Hα-helixtrans-59.9-43.1177.3-169.571.7000111.6E850 M856 L858E850-L854 PolarHBondContact O-N 2.76Å; L854-M856 VanDerWaalsContact C-N 3.34Å; L854-L858 PolarHBondContact O-N 3.3Å
855M47.9Very low49.6Very low101 Ų101115.3 Ų115.350%0.49865%0.652SS.*Hα-helixtrans-64.7-34.5172.7-85.7-75.1-7200113D851 E853 L858 L859D851-M855 WeakPolarHBondContact O-CB 3.5Å; D851-M855 PolarHBondContact O-N 3.47Å; D851-M855 VanDerWaalsContact O-N 3.12Å; E853-M855 VanDerWaalsContact C-N 3.32Å; E853-M855 PolarHBondContact O-N 3.18Å; M855-L858 PolarHBondContact O-N 3.06Å; M855-L859 WeakPolarHBondContact O-CB 3.49Å; M855-L859 PolarHBondContact O-N 3.28Å
856M52Low48.4Very low142 Ų142117.6 Ų117.670%0.766%0.662SS**Hα-helixtrans-74-37.3178.9-169159.7174.100112.3R852 E853 L854 G860R852-M856 WeakPolarHBondContact O-CB 3.47Å; R852-M856 PolarHBondContact O-N 2.84Å; E853-M856 CarbonylContact O-C 3.52Å; E853-M856 PolarHBondContact O-N 3.47Å; L854-M856 VanDerWaalsContact C-N 3.34Å; M856-G860 PolarHBondContact O-N 2.86Å
857Q57.6Low47.1Very low149 Ų149120.2 Ų120.270%0.69667%0.67SS**Hα-helixtrans-58.7-48.2167-84.5-170.1-400111.3E853 L859 G860 S861E853-Q857 PolarHBondContact O-N 3.12Å; Q857-L859 PolarHBondContact O-N 3.09Å; Q857-G860 PolarHBondContact O-N 3.05Å; Q857-S861 PolarHBondContact O-N 3.26Å
858L50.8Low45.9Very low121 Ų121125.1 Ų125.163%0.63469%0.693SS**Hα-helixtrans-61.8-44.2-178.6-161.774.8000111.4L854 M855 G860 S861L854-L858 PolarHBondContact O-N 3.3Å; M855-L858 PolarHBondContact O-N 3.06Å; L858-G860 VanDerWaalsContact C-N 3.33Å; L858-G860 PolarHBondContact O-N 2.9Å; L858-S861 PolarHBondContact O-N 2.99Å; L858-S861 PolarHBondContact O-OG 2.69Å
859L48.9Very low44Very low149 Ų149127.9 Ų127.978%0.7870%0.699SS**Hα-helixtrans-68.5-30.5178.5-164.669.1000112.7M855 Q857 S861M855-L859 WeakPolarHBondContact O-CB 3.49Å; M855-L859 PolarHBondContact O-N 3.28Å; Q857-L859 PolarHBondContact O-N 3.09Å; L859-S861 VanDerWaalsContact C-N 3.3Å; L859-S861 PolarHBondContact O-N 3.13Å
860G38Very low42.6Very low63 Ų63128.8 Ų128.865%0.64971%0.708SS**Hα-helixtrans-69.9-21174.500000114.5M856 Q857 L858 A862M856-G860 PolarHBondContact O-N 2.86Å; Q857-G860 PolarHBondContact O-N 3.05Å; L858-G860 VanDerWaalsContact C-N 3.33Å; L858-G860 PolarHBondContact O-N 2.9Å; G860-A862 VanDerWaalsContact C-N 3.28Å; G860-A862 PolarHBondContact O-N 2.93Å
861S37.4Very low40.9Very low95 Ų95133.7 Ų133.766%0.66472%0.72SS**THydrogen-bonded Turntrans-76.2-7.2-176.472.90000115.4Q857 L858 L859Q857-S861 PolarHBondContact O-N 3.26Å; L858-S861 PolarHBondContact O-N 2.99Å; L858-S861 PolarHBondContact O-OG 2.69Å; L859-S861 VanDerWaalsContact C-N 3.3Å; L859-S861 PolarHBondContact O-N 3.13Å
862A39.4Very low39.2Very low92 Ų92133.5 Ų133.576%0.7674%0.736SS**  trans-109.663.8-172.500000113.2G860G860-A862 VanDerWaalsContact C-N 3.28Å; G860-A862 PolarHBondContact O-N 2.93Å
863G27.9Very low37.6Very low66 Ų66136.9 Ų136.968%0.6876%0.755SS**  trans-144.7114.2-176.600000115.9
864A26.9Very low35.9Very low105 Ų105140.7 Ų140.787%0.86877%0.769SS**  trans57.479.2159.200000118.9
865A27.2Very low34.2Very low111 Ų111139 Ų13992%0.91778%0.78SS**PPolyproline II helixtrans-84.2119.7148.600000109.4
866K30.1Very low33.2Very low203 Ų203145.1 Ų145.188%0.88380%0.797SS**PPolyproline II helixtrans-98.7153.9168.4-93.1-171.2172.1-172.40110.2
867E27.1Very low31.8Very low186 Ų186147.4 Ų147.487%0.86980%0.803SS**PPolyproline II helixtrans-70.7139.4161.7-59.2169.5115.500110.6
868E26.4Very low30.2Very low181 Ų181143.5 Ų143.585%0.84680%0.803SS**  -178.5172123.8-102.3-95.972.700111.6
869K28.4Very low28.9Very low186 Ų186148.3 Ų148.381%0.80982%0.819SS**  trans-92.3148.6-165.3-70.4171178.7168.10116.4
870D27.6Very low27.8Very low148 Ų148144.5 Ų144.579%0.79182%0.816SS**  trans-4.9126.8143.6178.632.4000119.1
871R25Very low27.2Very low245 Ų245149.9 Ų149.993%0.92582%0.821SS**  trans-165.3153.5141.7-106.2167.9-174.1-160.61.1109.7
872G25.5Very low26.6Very low72 Ų72152.8 Ų152.874%0.74282%0.824SS**  trans-159.8-175.3-176.100000119.3
873K27Very low25.9Very low209 Ų209154.5 Ų154.591%0.90982%0.816SS**  trans76.6147.4176.3-75.8-178.1175.2174.40119.5
874K23.8Very low26Very low218 Ų218157.4 Ų157.495%0.94882%0.823SS**  trans75.8134.9177.6-51.9176.8-177.6177.30115.5
875G23.6Very low25.9Very low78 Ų78155 Ų15580%0.80481%0.808SS**  cis159.2141.9-19.100000116.9
876R25.6Very low25.8Very low228 Ų228161.9 Ų161.986%0.8681%0.811SS**  trans80127.3159.2-98.3-177.7168.3-178.9-2122.4
877K23Very low25.5Very low190 Ų190159.8 Ų159.883%0.82680%0.802SS**  trans68.8143.7151.2-60.1-179.3176.7-174.10118.8
878G23.8Very low26Very low68 Ų68156 Ų15670%0.70179%0.793SS**  cis161163.2-10.900000115.4
879K24.9Very low26Very low222 Ų222155.2 Ų155.297%0.96579%0.79SS**  trans79.3141-174.9-55.8-178.9176.6-176.90115.6
880G24.5Very low25.8Very low69 Ų69152.6 Ų152.671%0.71178%0.784SS**  cis166.8161-11.500000114.5
881K26.6Very low25.7Very low176 Ų176154.5 Ų154.577%0.76579%0.785SS**  trans68.7143.6179.6-65.3178.2154.3-78.60115.7
882E24.4Very low25.8Very low155 Ų155149.1 Ų149.172%0.72478%0.781SS**  cis-147.6154.8-7.2-143.4114.6-127.400109.8
883E23.8Very low25.6Very low128 Ų128154 Ų15460%0.59879%0.785SS**  trans-106.8163.7173.7-133-170.4-138.600109K887E883-K887 IonicContact OE1-NZ 2.83Å; E883-K887 PolarHBondContact OE1-NZ 3.44Å
884P31.2Very low25.4Very low127 Ų127152.6 Ų152.683%0.82578%0.782SS**  -130.5172.463.825.9-5000113.1
885G23.8Very low25.3Very low54 Ų54151.7 Ų151.756%0.55778%0.778SS**  cis128.5116.41000000108.4
886R25.9Very low25.9Very low256 Ų256153.4 Ų153.497%0.96678%0.775SS**  -140.3177.964.2-81.5176.9163.6169.7-6114.7
887K24.3Very low25.7Very low160 Ų160153.9 Ų153.970%0.69678%0.776SS**  trans-154.6179.4-165.9-90.7170.5-175.5152.10108.1E883E883-K887 IonicContact OE1-NZ 2.83Å; E883-K887 PolarHBondContact OE1-NZ 3.44Å
888P37.3Very low25.7Very low105 Ų105151.8 Ų151.868%0.68277%0.774SS**  cis-143.8165.4-37.240.4-23.4000116
889Q25.4Very low25.7Very low166 Ų166157.8 Ų157.878%0.77679%0.787SS**  trans30.2133.7132.3-61.1-175.3-20.400125.4
890L25.4Very low25.6Very low131 Ų131151.7 Ų151.769%0.68678%0.778SS**  71.1127.1125.6-66.9169.4000123.8
891K25.7Very low25.6Very low187 Ų187152.7 Ų152.781%0.81378%0.779SS**  trans60.4138.5140.2-69.3-179176.5-176.60121
892P25.3Very low25.5Very low132 Ų132151 Ų15186%0.85778%0.778SS**  trans-114.1162.2147.336.3-26.9000113.1
893Q21.9Very low25.5Very low175 Ų175150 Ų15082%0.81877%0.773SS**  trans-147.9141.2169.8-144.8-171.3-4.300110
894Q24.2Very low25.5Very low180 Ų180151.9 Ų151.984%0.84178%0.78SS**  trans76.1158.8165.3-57.1-170.5-11.200120.5
895K20.8Very low25Very low199 Ų199154.6 Ų154.687%0.86578%0.779SS**  trans-91.2-163.3-170.9-58.2177.5174.5-176.80111.3
896P36.8Very low25.2Very low113 Ų113157.7 Ų157.773%0.73479%0.789SS**  -134.5167.9-6536.7-21000114
897R21.1Very low25.1Very low238 Ų238152.9 Ų152.990%0.89878%0.778SS**  -179.2162.7127.1-112-180165.9166.6-4.8115.2
898N23.6Very low25.1Very low147 Ų147153 Ų15379%0.78678%0.781SS**  trans-68.9157.1-175.1-36.92.9000114.7
899M23.2Very low24.4Very low194 Ų194155 Ų15596%0.95678%0.781SS**  -148.9173.4128.8-94.3-57.5174.300108.3
900A22.8Very low24.2Very low94 Ų94150.6 Ų150.678%0.77778%0.78SS**  trans-135.5179.1-162.400000114.9
901A24.5Very low24.1Very low90 Ų90148.4 Ų148.474%0.74479%0.789SS**  trans76.7154.2176.500000115.4
902D24.2Very low24Very low139 Ų139151.4 Ų151.474%0.74380%0.795SS**  cis-158.3168.94.5-141.8-26.1000113.9
903E24Very low23.9Very low134 Ų134148 Ų14863%0.62678%0.784SS**  trans54.9154.5158.5-55.4-149.3150.700121.3
904K23.1Very low24.1Very low169 Ų169148 Ų14874%0.73578%0.784SS**  cis-160.5172.4-17.6-112.8175.7-173.4149.60111.2
905K22.3Very low24Very low183 Ų183148 Ų14880%0.79678%0.784SS**  trans-86.9172.7174.2-61.5-174.9175.2-178.90113.4
906P27.1Very low24.1Very low119 Ų119147.4 Ų147.477%0.77378%0.784SS**  -125.6162.781.436.9-25.6000112.9
907Q24.8Very low23.4Very low156 Ų156150.5 Ų150.573%0.72979%0.789SS**  cis70.2133.242.8-116.8173.9-13.900112
908Q24.5Very low23.4Very low163 Ų163147.3 Ų147.376%0.76278%0.784SS**  cis-142.1173.118.6-69.1178.4-101.400108.7
909E21.4Very low23.4Very low146 Ų146148.6 Ų148.668%0.68279%0.785SS**  cis-162.8-169.4-9.1-126.366.7-64.300106.2
910G21.9Very low23.3Very low74 Ų74146.5 Ų146.576%0.76377%0.774SS**  cis152.2113.9-2.800000114.4
911G22.9Very low23.2Very low84 Ų84150.6 Ų150.687%0.86677%0.774SS**  trans113.4154.9167.100000117.5
912R22.7Very low23.6Very low251 Ų251152 Ų15295%0.94778%0.776SS**  cis-166.9144.6-6.1-171.6177.7-174.6178.41.5113.2
913G23.7Very low23.4Very low61 Ų61150 Ų15063%0.62978%0.778SS**  trans85151161.300000116.6
914E25.6Very low23.3Very low174 Ų174147.3 Ų147.381%0.81379%0.787SS**  cis-151.6135.5-8.8-94.2144.6-160.600105.1
915E22.5Very low23.4Very low180 Ų180148.8 Ų148.884%0.84180%0.796SS**  54.1128.185.2-72.1162.1-14800112.2
916E23.5Very low23.4Very low186 Ų186149.2 Ų149.287%0.86980%0.801SS**  cis-109.7162.133.2-60.7155.915500113
917E22.6Very low23.2Very low179 Ų179152.8 Ų152.884%0.83681%0.807SS**  cis74.1132.839.9-65.4-167.3160.600115.6
918E21.3Very low23.2Very low171 Ų171154.5 Ų154.580%0.79982%0.815SS**  cis-119.6-135.2-11.2-145.2-167.8156.400110.8
919E21.7Very low23.2Very low173 Ų173156.2 Ų156.281%0.80882%0.823SS**  cis-142.4-146.32.5-160.5-154.2-109.600109
920E21.5Very low23.3Very low151 Ų151158.3 Ų158.371%0.70683%0.833SS**  trans-122.3175.2-162.1-81.4-129.710100118.7
921K21.7Very low23.5Very low179 Ų179164.6 Ų164.678%0.77884%0.839SS**  trans-78.3176-172.6-72.9166.1-172.2142.60112.8
922P32.4Very low23.7Very low121 Ų121169.9 Ų169.979%0.78684%0.842SS**  cis-150.2-179.625.344.8-24000120.4
923A20.8Very low23.9Very low95 Ų95165.7 Ų165.779%0.78584%0.838SS**  trans75.476.114600000120.5
924G21.8Very low24Very low79 Ų79172 Ų17281%0.81485%0.851SS**  93.1110.9100.500000120
925E24.1Very low24Very low199 Ų199168 Ų16893%0.9385%0.847SS**  trans-152.1160.4135.4-118.2169.5-154.100109.4
926Q22.6Very low24.4Very low193 Ų193166.2 Ų166.290%0.90284%0.844SS**  trans-101.8119.2-171.1-68.7179.4-11.300111.8
927Q23.8Very low24.7Very low194 Ų194166.5 Ų166.591%0.90785%0.845SS**  trans-107.3145.7161.3-72.4-173.6-10.600110.3
928Q25.2Very low25.3Very low191 Ų191160.5 Ų160.589%0.89382%0.819SS**PPolyproline II helixtrans-91.3134.9179.4-66.5175.8-35.600109.2E930Q928-E930 PolarHBondContact O-N 3.45Å
929E24Very low26.3Very low200 Ų200157.9 Ų157.994%0.93581%0.81SS**PPolyproline II helixtrans-66.4132.3169.1-68.9-176.1134.800110.2
930E23.4Very low26.7Very low190 Ų190153.2 Ų153.289%0.88880%0.802SS**PPolyproline II helixtrans-70.8145.9175.7-62.4179.912300111.1Q928Q928-E930 PolarHBondContact O-N 3.45Å
931K25Very low27.6Very low205 Ų205147.9 Ų147.989%0.89179%0.787SS**  trans-129120.2154.3-90.2-171.4173.1176.90109.7D933K931-D933 PolarHBondContact O-N 2.99Å
932E28Very low28.5Very low196 Ų196141.9 Ų141.992%0.91677%0.771SS**  trans-62.3125.2170.4-56.7173.2116.100109.4
933D25.8Very low28.9Very low162 Ų162143.9 Ų143.987%0.86677%0.769SS**  trans-120.2141.8160.2-105-37000106.9K931 A935K931-D933 PolarHBondContact O-N 2.99Å; D933-A935 PolarHBondContact O-N 3.29Å
934E26.9Very low30.1Very low194 Ų194145.2 Ų145.291%0.90776%0.76SS**  trans-57.3127.8-161.1-62.6-179.8116.700114.3D936E934-D936 PolarHBondContact O-N 3.03Å
935A25.8Very low31.4Very low89 Ų89142.5 Ų142.574%0.73673%0.729SS**  trans-69.499.5172.800000111.1D933 Q937D933-A935 PolarHBondContact O-N 3.29Å; A935-Q937 WeakPolarHBondContact O-CG 3.29Å; A935-Q937 PolarHBondContact O-N 3.48Å
936D29.6Very low32.8Very low144 Ų144137.1 Ų137.177%0.7770%0.704SS**  trans-55.3103.2176.8-134.9-15.3000110E934 D938E934-D936 PolarHBondContact O-N 3.03Å; D936-D938 PolarHBondContact O-N 3.22Å
937Q31.4Very low34.5Very low192 Ų192133.1 Ų133.190%0.89769%0.689SS**  trans-73.131.4-172.4-65.7-170.7-8.300114.2A935 N939A935-Q937 WeakPolarHBondContact O-CG 3.29Å; A935-Q937 PolarHBondContact O-N 3.48Å; Q937-N939 PolarHBondContact O-N 2.7Å
938D35.5Very low36.5Very low52 Ų52126.8 Ų126.828%0.27866%0.661SS.*  trans-78.128.7177.1-124.828.6000112.2R549 R552 D936R549-D938 IonicContact CZ-OD1 2.66Å; R549-D938 IonicContact CZ-OD2 3.61Å; R549-D938 IonicContact NE-OD1 2.88Å; R549-D938 IonicContact NE-OD2 3.42Å; R549-D938 PolarHBondContact NE-OD2 2.93Å; R549-D938 IonicContact NH2-OD1 3.3Å; R549-D938 PolarHBondContact NH2-OD1 3.47Å; R549-D938 IonicContact NH2-OD2 3.61Å; R549-D938 PolarHBondContact NH2-OD2 2.93Å; R552-D938 PolarHBondContact NH2-O 3.13Å; D936-D938 PolarHBondContact O-N 3.22Å
939N41.5Very low38.6Very low116 Ų116118.3 Ų118.362%0.6262%0.622SS**  trans-120.116.8-146.5-148.142.1000117.3R552 Q937R552-N939 PolarHBondContact NH1-OD1 2.88Å; Q937-N939 PolarHBondContact O-N 2.7Å
940A29.8Very low40.8Very low76 Ų76110.8 Ų110.863%0.62859%0.589SS**SBendtrans-96.3-19.5172.200000114.1A942A940-A942 VanDerWaalsContact C-N 3.29Å; A940-A942 PolarHBondContact O-N 3.42Å; A940-A942 VanDerWaalsContact O-N 3.09Å
941G40.5Very low43.4Very low39 Ų39102 Ų10240%0.40255%0.549SS..THydrogen-bonded Turntrans-80.916-16400000117.5
942A41.4Very low46.2Very low53 Ų5392.3 Ų92.344%0.43851%0.507SS..THydrogen-bonded Turntrans-96.5-57.718000000111.9A940 E944 A945A940-A942 VanDerWaalsContact C-N 3.29Å; A940-A942 PolarHBondContact O-N 3.42Å; A940-A942 VanDerWaalsContact O-N 3.09Å; A942-E944 VanDerWaalsContact C-N 3.32Å; A942-E944 PolarHBondContact O-N 2.71Å; A942-A945 WeakPolarHBondContact O-CB 3.42Å; A942-A945 PolarHBondContact O-N 3.37Å
943E39.1Very low48.8Very low162 Ų16283 Ų8376%0.75746%0.464SS*.Hα-helixtrans-68.5-30.7178.3-61178.916900112.3A945 N947E943-A945 PolarHBondContact O-N 3.19Å; E943-N947 PolarHBondContact O-ND2 3.22Å
944E46Very low51.4Low124 Ų12475.3 Ų75.358%0.57942%0.422SS*.Hα-helixtrans-58.8-34.1166.9-74.1-164.5140.800111.7A942 L948A942-E944 VanDerWaalsContact C-N 3.32Å; A942-E944 PolarHBondContact O-N 2.71Å; E944-L948 VanDerWaalsContact O-CB 3.31Å; E944-L948 WeakPolarHBondContact O-CB 3.31Å; E944-L948 WeakPolarHBondContact O-CG 3.38Å; E944-L948 PolarHBondContact O-N 3.15Å
945A50.3Low54.1Low21 Ų2170.8 Ų70.817%0.17440%0.401CS..Hα-helixtrans-67.5-41-172.700000112.4A942 E943 L948 L949A942-A945 WeakPolarHBondContact O-CB 3.42Å; A942-A945 PolarHBondContact O-N 3.37Å; E943-A945 PolarHBondContact O-N 3.19Å; A945-L948 PolarHBondContact O-N 2.94Å; A945-L949 WeakPolarHBondContact O-CB 3.32Å; A945-L949 WeakPolarHBondContact O-CG 3.37Å; A945-L949 PolarHBondContact O-N 3.25Å
946E52.5Low56.9Low87 Ų8766.9 Ų66.941%0.40737%0.368SS..Hα-helixtrans-68.7-41.9179.6-61.7-166.1158.600112.4P573 L948 L949 T950P573-E946 HydrophobicContact CG-CG 4.35Å; P573-E946 WeakPolarHBondContact CG-OE1 3.31Å; E946-L948 VanDerWaalsContact C-N 3.27Å; E946-L948 PolarHBondContact O-N 3.15Å; E946-L949 PolarHBondContact O-N 3.14Å; E946-T950 PolarHBondContact O-N 3.16Å; E946-T950 PolarHBondContact O-OG1 2.72Å
947N58.2Low59.3Low109 Ų10964.6 Ų64.658%0.58335%0.353SS*.Hα-helixtrans-63.8-32.2173.2-72.4-64.6000112.1E943 T950E943-N947 PolarHBondContact O-ND2 3.22Å; N947-T950 PolarHBondContact O-OG1 2.83Å
948L66.8Low61.4Low61 Ų6161 Ų6132%0.31935%0.346SS..Hα-helixtrans-75.4-40.3173.6-72.4174.9000112.9Y518 E944 A945 E946 S951Y518-L948 HydrophobicContact CD1-CD1 4.16Å; Y518-L948 HydrophobicContact CE1-CB 4.39Å; Y518-L948 HydrophobicContact CE1-CD1 3.99Å; Y518-L948 HydrophobicContact CE1-CD2 3.89Å; Y518-L948 HydrophobicContact CE1-CG 4.32Å; E944-L948 VanDerWaalsContact O-CB 3.31Å; E944-L948 WeakPolarHBondContact O-CB 3.31Å; E944-L948 WeakPolarHBondContact O-CG 3.38Å; E944-L948 PolarHBondContact O-N 3.15Å; A945-L948 PolarHBondContact O-N 2.94Å; E946-L948 VanDerWaalsContact C-N 3.27Å; E946-L948 PolarHBondContact O-N 3.15Å; L948-S951 PolarHBondContact O-N 2.9Å; L948-S951 PolarHBondContact O-OG 3.27Å
949L69.1Low63.5Low12 Ų1263.5 Ų63.56%0.06336%0.36CS..Hα-helixtrans-63-42.7178.6-74165.4000111.8I527 L533 A945 E946 S951 L952I527-L949 HydrophobicContact CD1-CD2 3.48Å; I527-L949 VanDerWaalsContact CD1-CD2 3.48Å; I527-L949 HydrophobicContact CG1-CD2 3.66Å; I527-L949 HydrophobicContact CG2-CD2 4.35Å; L533-L949 HydrophobicContact CB-CD1 4.32Å; L533-L949 HydrophobicContact CB-CD2 4.47Å; A945-L949 WeakPolarHBondContact O-CB 3.32Å; A945-L949 WeakPolarHBondContact O-CG 3.37Å; A945-L949 PolarHBondContact O-N 3.25Å; E946-L949 PolarHBondContact O-N 3.14Å; L949-S951 PolarHBondContact O-N 2.97Å; L949-L952 PolarHBondContact O-N 3.21Å
950T69.5Low65.4Low42 Ų4258.6 Ų58.626%0.25833%0.333SS..Hα-helixtrans-67.6-18.317749.30000113.8E946 N947 L952E946-T950 PolarHBondContact O-N 3.16Å; E946-T950 PolarHBondContact O-OG1 2.72Å; N947-T950 PolarHBondContact O-OG1 2.83Å; T950-L952 VanDerWaalsContact C-N 3.3Å; T950-L952 PolarHBondContact O-N 2.93Å
951S78.6Confident67.8Low6 Ų659.1 Ų59.14%0.04233%0.328CS..THydrogen-bonded Turntrans-80-5.7173.879.70000114.9K651 V652 L948 L949K651-S951 WeakPolarHBondContact CA-O 3.47Å; V652-S951 PolarHBondContact N-O 2.91Å; V652-S951 VanDerWaalsContact N-O 3.08Å; L948-S951 PolarHBondContact O-N 2.9Å; L948-S951 PolarHBondContact O-OG 3.27Å; L949-S951 PolarHBondContact O-N 2.97Å
952L83.1Confident69.8Low2 Ų257.6 Ų57.61%0.0131%0.311CS..EExtended strand (participates in β ladder)trans-107.7115.4-178.2-62.5172000110.2Y518 I527 L649 F650 K651 R664 L949 T950 F964 V966Y518-L952 HydrophobicContact CE2-CD1 4.01Å; Y518-L952 HydrophobicContact CE2-CD2 4.28Å; I527-L952 HydrophobicContact CD1-CD1 4.33Å; L649-L952 HydrophobicContact CB-CB 4.48Å; L649-L952 HydrophobicContact CD1-CB 4.2Å; L649-L952 HydrophobicContact CD1-CD1 4.36Å; F650-L952 WeakPolarHBondContact O-CA 3.45Å; K651-L952 HydrophobicContact CB-CD2 3.93Å; R664-L952 VanDerWaalsContact CZ-O 3.31Å; R664-L952 PolarHBondContact NH1-O 2.93Å; R664-L952 PolarHBondContact NH2-O 3.38Å; L949-L952 PolarHBondContact O-N 3.21Å; T950-L952 VanDerWaalsContact C-N 3.3Å; T950-L952 PolarHBondContact O-N 2.93Å; L952-F964 HydrophobicContact CD2-CE2 4.26Å; L952-V966 HydrophobicContact CD2-CG2 4.49Å
953S82.8Confident71.7Confident0 Ų058.2 Ų58.20%031%0.307CS..EExtended strand (participates in β ladder)trans-105.2144.9179.5179.10000112.7L649 F650 H660 E663 Q955L649-S953 WeakPolarHBondContact CA-O 3.33Å; L649-S953 WeakPolarHBondContact CD2-O 3.33Å; F650-S953 PolarHBondContact N-O 2.86Å; F650-S953 PolarHBondContact O-N 3.03Å; H660-S953 PolarHBondContact CE1-OG 2.73Å; H660-S953 VanDerWaalsContact CE1-OG 3.25Å; H660-S953 WeakPolarHBondContact ND1-CB 3.46Å; H660-S953 PolarHBondContact ND1-OG 2.96Å; E663-S953 WeakPolarHBondContact OE2-CA 3.33Å; S953-Q955 PolarHBondContact OG-N 2.84Å; S953-Q955 PolarHBondContact OG-O 2.79Å
954G81.2Confident73.7Confident0 Ų052.3 Ų52.30%028%0.279CS..SBendtrans-93.6-11.9169.100000113.3E663 K979E663-G954 WeakPolarHBondContact OE1-CA 3.28Å; E663-G954 PolarHBondContact OE1-N 3.01Å; E663-G954 VanDerWaalsContact OE1-N 3.16Å; E663-G954 PolarHBondContact OE2-N 2.89Å; G954-K979 PolarHBondContact O-N 3.34Å
955Q84Confident75.6Confident99 Ų9946.7 Ų46.746%0.46325%0.253SS..SBendtrans-128.674.1-176-64.4-174.6-5.400110.3H660 S953 H957 N977H660-Q955 PolarHBondContact CE1-O 3.46Å; H660-Q955 VanDerWaalsContact CE1-O 3.27Å; S953-Q955 PolarHBondContact OG-N 2.84Å; S953-Q955 PolarHBondContact OG-O 2.79Å; Q955-H957 PolarHBondContact O-N 2.88Å; Q955-N977 WeakPolarHBondContact CG-O 3.26Å; Q955-N977 PolarHBondContact NE2-O 3.03Å
956P83.6Confident77.4Confident7 Ų745.7 Ų45.75%0.04525%0.245CC..  trans-62.6125.8178.427.1-35.5000111.3F650 L962 K979F650-P956 HydrophobicContact CD2-CB 4.27Å; F650-P956 HydrophobicContact CD2-CG 3.76Å; F650-P956 HydrophobicContact CE2-CG 3.76Å; F650-P956 HydrophobicContact CG-CG 4.39Å; F650-P956 HydrophobicContact CZ-CG 4.38Å; P956-L962 HydrophobicContact CB-CD1 3.81Å; P956-L962 HydrophobicContact CB-CD2 3.65Å; P956-L962 HydrophobicContact CB-CG 4.35Å; P956-L962 HydrophobicContact CG-CD1 4.44Å; P956-K979 HydrophobicContact CG-CD 4.16Å
957H79.6Confident79.1Confident96 Ų9642.2 Ų42.244%0.44423%0.23SC..  trans-74.2150.7174.3-161.9-105.1000110.1Q955 D959 D960Q955-H957 PolarHBondContact O-N 2.88Å; H957-D959 IonicContact CE1-OD2 3.84Å; H957-D959 PolarHBondContact CE1-OD2 3.05Å; H957-D959 IonicContact ND1-OD2 2.65Å; H957-D959 PolarHBondContact ND1-OD2 2.9Å; H957-D959 VanDerWaalsContact ND1-OD2 3.16Å; H957-D959 PolarHBondContact O-N 3.4Å; H957-D959 VanDerWaalsContact O-N 3.16Å; H957-D960 VanDerWaalsContact CB-OD2 3.23Å; H957-D960 WeakPolarHBondContact CB-OD2 3.5Å; H957-D960 PolarHBondContact N-OD2 3.45Å; H957-D960 WeakPolarHBondContact O-CB 3.32Å; H957-D960 PolarHBondContact O-N 2.86Å; H957-D960 VanDerWaalsContact O-N 3.09Å
958P76.9Confident80.6Confident117 Ų11737 Ų3776%0.7620%0.202SC*.THydrogen-bonded Turntrans-54.5-33.3176.8-29.537.4000114.4
959D79.8Confident81.8Confident105 Ų10534.3 Ų34.356%0.56119%0.188SC*.THydrogen-bonded Turntrans-89.111-179.2-52-58.9000114.5R659 H957R659-D959 VanDerWaalsContact NH1-C 3.29Å; R659-D959 PolarHBondContact NH1-O 3.25Å; H957-D959 IonicContact CE1-OD2 3.84Å; H957-D959 PolarHBondContact CE1-OD2 3.05Å; H957-D959 IonicContact ND1-OD2 2.65Å; H957-D959 PolarHBondContact ND1-OD2 2.9Å; H957-D959 VanDerWaalsContact ND1-OD2 3.16Å; H957-D959 PolarHBondContact O-N 3.4Å; H957-D959 VanDerWaalsContact O-N 3.16Å
960D81.1Confident82.9Confident13 Ų1333.7 Ų33.77%0.0719%0.185CC..  trans-91.2132.6-179.2-69.6-23.9000112.5V652 R659 H660 H957 L962V652-D960 HydrophobicContact CG1-CB 4.33Å; R659-D960 WeakPolarHBondContact CD-OD1 3.3Å; R659-D960 IonicContact CZ-OD1 2.6Å; R659-D960 IonicContact NH1-OD1 3.08Å; R659-D960 PolarHBondContact NH1-OD1 3.06Å; H660-D960 IonicContact CD2-OD2 2.67Å; H660-D960 IonicContact CE1-OD2 2.71Å; H660-D960 PolarHBondContact CE1-OD2 2.99Å; H660-D960 IonicContact NE2-OD1 2.93Å; H660-D960 IonicContact NE2-OD2 3.2Å; H660-D960 PolarHBondContact NE2-OD2 3.4Å; H957-D960 VanDerWaalsContact CB-OD2 3.23Å; H957-D960 WeakPolarHBondContact CB-OD2 3.5Å; H957-D960 PolarHBondContact N-OD2 3.45Å; H957-D960 WeakPolarHBondContact O-CB 3.32Å; H957-D960 PolarHBondContact O-N 2.86Å; H957-D960 VanDerWaalsContact O-N 3.09Å; D960-L962 HydrophobicContact CB-CD2 3.82Å; D960-L962 PolarHBondContact O-N 2.86Å
961V80.4Confident84Confident86 Ų8631.8 Ų31.852%0.52117%0.173SC..  trans-77.492.2172.5-178.20000109.6D653 L963D653-V961 HydrophobicContact CB-CB 3.84Å; D653-V961 HydrophobicContact CB-CG1 4.2Å; D653-V961 PolarHBondContact N-O 3.2Å; D653-V961 VanDerWaalsContact N-O 3.11Å; V961-L963 HydrophobicContact CG1-CD2 4.42Å; V961-L963 PolarHBondContact O-N 2.84Å
962L82.2Confident84.5Confident7 Ų735.2 Ų35.24%0.03719%0.186CC..EExtended strand (participates in β ladder)trans-75.8113.9-179.5-51.6-175.8000111.5F650 V652 P956 D960 R1011 E1012 L1015F650-L962 HydrophobicContact CB-CD2 4.16Å; F650-L962 HydrophobicContact CD1-CD1 3.93Å; F650-L962 HydrophobicContact CE1-CD1 4.31Å; F650-L962 HydrophobicContact CG-CD1 4.37Å; V652-L962 HydrophobicContact CG2-CD2 4.3Å; P956-L962 HydrophobicContact CB-CD1 3.81Å; P956-L962 HydrophobicContact CB-CD2 3.65Å; P956-L962 HydrophobicContact CB-CG 4.35Å; P956-L962 HydrophobicContact CG-CD1 4.44Å; D960-L962 HydrophobicContact CB-CD2 3.82Å; D960-L962 PolarHBondContact O-N 2.86Å; L962-R1011 HydrophobicContact CB-CG 4.22Å; L962-R1011 PolarHBondContact O-NE 3.23Å; L962-R1011 PolarHBondContact O-NH2 3.2Å; L962-E1012 HydrophobicContact CD1-CG 3.83Å; L962-L1015 HydrophobicContact CB-CD1 3.71Å
963L80.3Confident84.7Confident66 Ų6638.6 Ų38.635%0.34621%0.207SC..EExtended strand (participates in β ladder)trans-80.3-53.2-177-62.5179.8000112.1K651 D653 V961K651-L963 HydrophobicContact CD-CD1 4.03Å; K651-L963 HydrophobicContact CG-CD1 4.2Å; K651-L963 PolarHBondContact O-N 3.11Å; D653-L963 HydrophobicContact CB-CD1 4.49Å; D653-L963 HydrophobicContact CB-CD2 4.48Å; D653-L963 HydrophobicContact CB-CG 4.42Å; V961-L963 HydrophobicContact CG1-CD2 4.42Å; V961-L963 PolarHBondContact O-N 2.84Å
964F82.1Confident84.9Confident39 Ų3938.8 Ų38.817%0.17121%0.208CC..EExtended strand (participates in β ladder)trans-151159.3176.756.9-113.3000112.2R515 Y518 F650 K651 L952 V966R515-F964 HydrophobicContact CG-CD1 3.86Å; R515-F964 HydrophobicContact CG-CD2 4.31Å; R515-F964 HydrophobicContact CG-CE1 3.9Å; R515-F964 HydrophobicContact CG-CE2 4.38Å; R515-F964 HydrophobicContact CG-CG 4.07Å; R515-F964 HydrophobicContact CG-CZ 4.16Å; Y518-F964 HydrophobicContact CE2-CZ 4.49Å; F650-F964 CarbonylContact C-O 3.49Å; F650-F964 WeakPolarHBondContact CA-O 3.4Å; K651-F964 HydrophobicContact CB-CD1 4.28Å; K651-F964 HydrophobicContact CB-CD2 3.84Å; K651-F964 HydrophobicContact CB-CE1 3.89Å; K651-F964 HydrophobicContact CB-CE2 3.36Å; K651-F964 HydrophobicContact CB-CG 4.27Å; K651-F964 HydrophobicContact CB-CZ 3.41Å; K651-F964 VanDerWaalsContact CB-CZ 3.41Å; K651-F964 HydrophobicContact CD-CE1 4.07Å; K651-F964 HydrophobicContact CD-CZ 3.95Å; K651-F964 HydrophobicContact CG-CE1 4.46Å; K651-F964 HydrophobicContact CG-CZ 4.16Å; K651-F964 PolarHBondContact N-O 2.83Å; L952-F964 HydrophobicContact CD2-CE2 4.26Å; F964-V966 HydrophobicContact CD2-CG2 3.64Å; F964-V966 HydrophobicContact CE2-CG2 3.57Å
965A86.2Confident85.1Confident5 Ų538.8 Ų38.84%0.04121%0.208CC..EExtended strand (participates in β ladder)trans-105.814917000000111.6F648 L649 F650 L1015F648-A965 HydrophobicContact CD1-CB 3.86Å; F648-A965 HydrophobicContact CE1-CB 4.5Å; F648-A965 HydrophobicContact CG-CB 4.5Å; L649-A965 CarbonylContact O-C 3.57Å; L649-A965 WeakPolarHBondContact O-CA 3.38Å; F650-A965 HydrophobicContact CD1-CB 3.87Å; F650-A965 HydrophobicContact CE1-CB 3.88Å; A965-L1015 HydrophobicContact CB-CB 3.93Å
966V87.3Confident84.9Confident1 Ų135.5 Ų35.51%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-128.3119-175.2-167.60000109.4W525 F648 L649 L952 F964 V968W525-V966 HydrophobicContact CH2-CG1 4.02Å; W525-V966 HydrophobicContact CZ2-CG1 3.71Å; F648-V966 VanDerWaalsContact CA-O 3.31Å; F648-V966 WeakPolarHBondContact CA-O 3.33Å; L649-V966 HydrophobicContact CB-CB 4.41Å; L649-V966 PolarHBondContact N-O 3.15Å; L649-V966 PolarHBondContact O-N 3Å; L952-V966 HydrophobicContact CD2-CG2 4.49Å; F964-V966 HydrophobicContact CD2-CG2 3.64Å; F964-V966 HydrophobicContact CE2-CG2 3.57Å; V966-V968 PolarHBondContact O-N 3.25Å
967P89.4Confident84.7Confident13 Ų1337.3 Ų37.38%0.08421%0.205CC..EExtended strand (participates in β ladder)trans-75.2115.7-179.830.2-34.1000111.2F646 F648 V1019 L1024F646-P967 HydrophobicContact CE2-CB 3.98Å; F646-P967 HydrophobicContact CZ-CB 4.06Å; F648-P967 HydrophobicContact CD1-CB 4.34Å; F648-P967 HydrophobicContact CE1-CB 3.92Å; F648-P967 HydrophobicContact CZ-CB 4.5Å; P967-V1019 HydrophobicContact CB-CG1 4.49Å; P967-V1019 HydrophobicContact CG-CG1 3.82Å; P967-L1024 HydrophobicContact CB-CD2 4.09Å
968V89.8Confident85Confident1 Ų132.9 Ų32.91%0.00619%0.185CC..EExtended strand (participates in β ladder)trans-108.6140.5-179.4179.90000109.9W525 F526 F646 G647 L649 V966 A970 L975W525-V968 HydrophobicContact CH2-CG2 3.77Å; W525-V968 HydrophobicContact CZ2-CG2 4.14Å; W525-V968 HydrophobicContact CZ3-CG2 4.4Å; F526-V968 HydrophobicContact CB-CG1 4.36Å; F646-V968 WeakPolarHBondContact CA-O 3.16Å; F646-V968 WeakPolarHBondContact CD2-O 3.48Å; G647-V968 PolarHBondContact N-O 3.46Å; G647-V968 PolarHBondContact O-N 3.42Å; L649-V968 HydrophobicContact CB-CG2 4.29Å; L649-V968 HydrophobicContact CD1-CG2 3.86Å; L649-V968 HydrophobicContact CG-CG2 3.93Å; V966-V968 PolarHBondContact O-N 3.25Å; V968-A970 HydrophobicContact CG1-CB 4.15Å; V968-L975 HydrophobicContact CG1-CD2 4.4Å
969C91.1Very high85.4Confident3 Ų331.3 Ų31.32%0.0217%0.166CC..EExtended strand (participates in β ladder)trans-133.2107.1170.8-170.10000109.2G645 F646 N1027G645-C969 WeakPolarHBondContact O-CA 3.34Å; G645-C969 PolarHBondContact O-SG 3.29Å; F646-C969 HydrophobicContact CD2-CB 4.32Å; C969-N1027 HydrophobicContact CB-CB 4.2Å; C969-N1027 WeakPolarHBondContact CB-O 3.38Å; C969-N1027 PolarHBondContact SG-O 3.44Å; C969-N1027 VanDerWaalsContact SG-O 3.39Å
970A92.1Very high85.7Confident0 Ų026.7 Ų26.70%014%0.141CC..EExtended strand (participates in β ladder)trans-130.9172.2-169.200000109.5F526 M644 G645 V968 A974 L975F526-A970 HydrophobicContact CB-CB 3.49Å; F526-A970 VanDerWaalsContact CB-CB 3.49Å; F526-A970 HydrophobicContact CD2-CB 3.8Å; F526-A970 HydrophobicContact CG-CB 3.78Å; M644-A970 CarbonylContact C-O 3.55Å; M644-A970 WeakPolarHBondContact CA-O 3.34Å; M644-A970 WeakPolarHBondContact CE-O 3.34Å; G645-A970 PolarHBondContact N-O 3.12Å; G645-A970 PolarHBondContact O-N 3.13Å; V968-A970 HydrophobicContact CG1-CB 4.15Å; A970-A974 HydrophobicContact CB-CB 4.12Å; A970-L975 HydrophobicContact CB-CD1 4.21Å; A970-L975 HydrophobicContact CB-CD2 4.04Å; A970-L975 HydrophobicContact CB-CG 4.01Å
971P91.9Very high86.1Confident1 Ų129.6 Ų29.61%0.00615%0.153CC..EExtended strand (participates in β ladder)trans-51.1145.6163.4-25.537.1000110.7F526 E585 T588 T973 A974F526-P971 HydrophobicContact CE1-CG 4.5Å; F526-P971 HydrophobicContact CE2-CG 4.12Å; F526-P971 HydrophobicContact CZ-CG 3.98Å; E585-P971 HydrophobicContact CB-CB 4.35Å; E585-P971 HydrophobicContact CB-CG 3.97Å; E585-P971 HydrophobicContact CG-CB 4.44Å; E585-P971 WeakPolarHBondContact O-CG 3.35Å; T588-P971 HydrophobicContact CG2-CB 3.96Å; T588-P971 HydrophobicContact CG2-CG 4.21Å; P971-T973 PolarHBondContact O-N 2.81Å; P971-A974 PolarHBondContact O-N 3.36Å
972Y89.9Confident86.6Confident78 Ų7825.6 Ų25.631%0.30613%0.129SC..THydrogen-bonded Turntrans-66.6-23.8-175.4-175.5-100.6000113.4I643 L975 K983I643-Y972 HydrophobicContact CG2-CG 4.18Å; I643-Y972 PolarHBondContact O-N 3.35Å; Y972-L975 PolarHBondContact O-N 3.43Å; Y972-K983 HydrophobicContact CD2-CB 3.99Å; Y972-K983 HydrophobicContact CD2-CG 4.01Å; Y972-K983 HydrophobicContact CE2-CB 3.81Å; Y972-K983 HydrophobicContact CE2-CG 4.18Å; Y972-K983 HydrophobicContact CG-CG 4.3Å
973T87.5Confident87Confident74 Ų7428.9 Ų28.945%0.45414%0.143SC..THydrogen-bonded Turntrans-65.3-42.7172.851.90000112.3E585 P971 L975 S976E585-T973 WeakPolarHBondContact CG-OG1 3.45Å; E585-T973 WeakPolarHBondContact OE1-CB 3.35Å; E585-T973 PolarHBondContact OE1-OG1 3.5Å; P971-T973 PolarHBondContact O-N 2.81Å; T973-L975 PolarHBondContact O-N 3.23Å; T973-L975 VanDerWaalsContact O-N 3.1Å; T973-S976 VanDerWaalsContact O-CB 3.25Å; T973-S976 WeakPolarHBondContact O-CB 3.43Å; T973-S976 PolarHBondContact O-N 3.32Å; T973-S976 PolarHBondContact O-OG 3.15Å; T973-S976 VanDerWaalsContact O-OG 3.14Å
974A86.3Confident87.6Confident4 Ų425.8 Ų25.83%0.03313%0.126CC..THydrogen-bonded Turntrans-64.2-20.2178.800000112.3F526 E585 A970 P971 Y978F526-A974 HydrophobicContact CD2-CB 3.88Å; F526-A974 HydrophobicContact CE2-CB 3.99Å; E585-A974 VanDerWaalsContact OE1-CA 3.22Å; E585-A974 WeakPolarHBondContact OE1-CA 3.48Å; E585-A974 PolarHBondContact OE1-N 3.45Å; E585-A974 WeakPolarHBondContact OE2-CB 3.33Å; A970-A974 HydrophobicContact CB-CB 4.12Å; P971-A974 PolarHBondContact O-N 3.36Å; A974-Y978 WeakPolarHBondContact O-CE1 3.45Å
975L85.8Confident88.1Confident0 Ų025.5 Ų25.50%013%0.128CC..THydrogen-bonded Turntrans-99.714.1178.4-55.7176.1000112.1V968 A970 Y972 T973 N977 Y978 K981V968-L975 HydrophobicContact CG1-CD2 4.4Å; A970-L975 HydrophobicContact CB-CD1 4.21Å; A970-L975 HydrophobicContact CB-CD2 4.04Å; A970-L975 HydrophobicContact CB-CG 4.01Å; Y972-L975 PolarHBondContact O-N 3.43Å; T973-L975 PolarHBondContact O-N 3.23Å; T973-L975 VanDerWaalsContact O-N 3.1Å; L975-N977 VanDerWaalsContact C-N 3.25Å; L975-N977 PolarHBondContact O-N 3.1Å; L975-Y978 HydrophobicContact CB-CD1 4.34Å; L975-Y978 HydrophobicContact CB-CG 4.42Å; L975-Y978 HydrophobicContact CD2-CD1 3.82Å; L975-Y978 HydrophobicContact CD2-CD2 3.74Å; L975-Y978 HydrophobicContact CD2-CE1 3.6Å; L975-Y978 HydrophobicContact CD2-CE2 3.49Å; L975-Y978 VanDerWaalsContact CD2-CE2 3.49Å; L975-Y978 HydrophobicContact CD2-CG 3.87Å; L975-Y978 VanDerWaalsContact CD2-CZ 3.41Å; L975-Y978 PolarHBondContact O-N 3.37Å; L975-K981 WeakPolarHBondContact O-CD 3.22Å
976S79.7Confident88.3Confident30 Ų3026.4 Ų26.421%0.2113%0.133CC..THydrogen-bonded Turntrans-51.3-46.5176.155.20000111.6T973 Y978 K981T973-S976 VanDerWaalsContact O-CB 3.25Å; T973-S976 WeakPolarHBondContact O-CB 3.43Å; T973-S976 PolarHBondContact O-N 3.32Å; T973-S976 PolarHBondContact O-OG 3.15Å; T973-S976 VanDerWaalsContact O-OG 3.14Å; S976-Y978 PolarHBondContact O-N 3.1Å; S976-K981 PolarHBondContact O-NZ 3.34Å
977N79.6Confident88.4Confident44 Ų4427.6 Ų27.624%0.23515%0.146CC..THydrogen-bonded Turntrans-84.3-12.3-171-59.412.8000112.5E663 Q955 L975 K979E663-N977 PolarHBondContact O-ND2 3.28Å; Q955-N977 WeakPolarHBondContact CG-O 3.26Å; Q955-N977 PolarHBondContact NE2-O 3.03Å; L975-N977 VanDerWaalsContact C-N 3.25Å; L975-N977 PolarHBondContact O-N 3.1Å; N977-K979 PolarHBondContact O-N 3.14Å
978Y86.3Confident88.3Confident4 Ų432.2 Ų32.22%0.01618%0.179CC..  trans-73.2125.6-170.3-77.453.6000112.1F648 L649 A974 L975 S976 H980 K981F648-Y978 WeakPolarHBondContact O-CD2 3.32Å; L649-Y978 HydrophobicContact CD2-CE1 4.41Å; L649-Y978 HydrophobicContact CD2-CE2 3.68Å; L649-Y978 WeakPolarHBondContact CD2-OH 3.43Å; L649-Y978 HydrophobicContact CG-CE2 3.74Å; L649-Y978 WeakPolarHBondContact CG-OH 3.29Å; A974-Y978 WeakPolarHBondContact O-CE1 3.45Å; L975-Y978 HydrophobicContact CB-CD1 4.34Å; L975-Y978 HydrophobicContact CB-CG 4.42Å; L975-Y978 HydrophobicContact CD2-CD1 3.82Å; L975-Y978 HydrophobicContact CD2-CD2 3.74Å; L975-Y978 HydrophobicContact CD2-CE1 3.6Å; L975-Y978 HydrophobicContact CD2-CE2 3.49Å; L975-Y978 VanDerWaalsContact CD2-CE2 3.49Å; L975-Y978 HydrophobicContact CD2-CG 3.87Å; L975-Y978 VanDerWaalsContact CD2-CZ 3.41Å; L975-Y978 PolarHBondContact O-N 3.37Å; S976-Y978 PolarHBondContact O-N 3.1Å; Y978-H980 VanDerWaalsContact C-N 3.31Å; Y978-H980 PolarHBondContact O-N 3.32Å; Y978-K981 VanDerWaalsContact O-CD 3.3Å; Y978-K981 WeakPolarHBondContact O-CD 3.48Å; Y978-K981 WeakPolarHBondContact O-CG 3.39Å
979K84.1Confident88.2Confident84 Ų8434.8 Ų34.837%0.36519%0.191SC..SBendtrans-55.8-44.5174.5-178.3-178.3178.9-176.60111.9G954 P956 N977 D1007 E1012G954-K979 PolarHBondContact O-N 3.34Å; P956-K979 HydrophobicContact CG-CD 4.16Å; N977-K979 PolarHBondContact O-N 3.14Å; K979-D1007 VanDerWaalsContact CE-O 3.26Å; K979-D1007 WeakPolarHBondContact CE-O 3.37Å; K979-D1007 PolarHBondContact NZ-O 2.61Å; K979-E1012 IonicContact NZ-OE1 3.15Å; K979-E1012 PolarHBondContact NZ-OE1 3.33Å; K979-E1012 IonicContact NZ-OE2 3.7Å
980H86.9Confident88.1Confident8 Ų843 Ų434%0.03723%0.226CC..SBendtrans-110.285.6-176.9-68.3-68.6000111.2G647 F648 Y978 F1002 E1012 F1016G647-H980 WeakPolarHBondContact CA-O 3.28Å; F648-H980 PolarHBondContact N-O 3.19Å; Y978-H980 VanDerWaalsContact C-N 3.31Å; Y978-H980 PolarHBondContact O-N 3.32Å; H980-F1002 HydrophobicContact CB-CD1 3.85Å; H980-F1002 HydrophobicContact CB-CE1 3.87Å; H980-F1002 HydrophobicContact CB-CG 4.24Å; H980-F1002 HydrophobicContact CB-CZ 4.25Å; H980-F1002 AromaticContact ND1-CD1 3.8Å; H980-F1002 WeakPolarHBondContact O-CZ 3.38Å; H980-E1012 IonicContact CD2-OE2 3.96Å; H980-E1012 IonicContact CE1-OE2 3.77Å; H980-E1012 IonicContact NE2-OE2 2.65Å; H980-E1012 PolarHBondContact NE2-OE2 2.87Å; H980-F1016 HydrophobicContact CB-CZ 4.24Å; H980-F1016 AromaticContact CD2-CZ 3.63Å; H980-F1016 AromaticContact CG-CZ 3.68Å; H980-F1016 AromaticContact ND1-CZ 3.96Å; H980-F1016 AromaticContact NE2-CZ 3.85Å
981K89.6Confident88Confident73 Ų7346.8 Ų46.832%0.31724%0.243SC..EExtended strand (participates in β ladder)trans-128150.1-178.466.1-171.9170.5-176.80113.7F646 L975 S976 Y978F646-K981 CarbonylContact O-C 3.57Å; F646-K981 WeakPolarHBondContact O-CA 3.44Å; L975-K981 WeakPolarHBondContact O-CD 3.22Å; S976-K981 PolarHBondContact O-NZ 3.34Å; Y978-K981 VanDerWaalsContact O-CD 3.3Å; Y978-K981 WeakPolarHBondContact O-CD 3.48Å; Y978-K981 WeakPolarHBondContact O-CG 3.39Å
982V90.4Very high87.7Confident2 Ų248 Ų481%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-140.4136.6174.8178.70000110.2G645 F646 A998 F1002 V1034 S1035 A1036G645-V982 CarbonylContact C-O 3.59Å; G645-V982 WeakPolarHBondContact CA-O 3.18Å; F646-V982 PolarHBondContact N-O 3.46Å; F646-V982 PolarHBondContact O-N 3.12Å; V982-A998 HydrophobicContact CB-CB 4.39Å; V982-A998 HydrophobicContact CG2-CB 4.05Å; V982-F1002 HydrophobicContact CG2-CE1 3.57Å; V982-F1002 HydrophobicContact CG2-CZ 3.6Å; V982-V1034 HydrophobicContact CG1-CG1 3.38Å; V982-S1035 WeakPolarHBondContact CG1-O 3.47Å; V982-A1036 HydrophobicContact CB-CB 4.37Å; V982-A1036 HydrophobicContact CG1-CB 3.99Å; V982-A1036 HydrophobicContact CG2-CB 3.98Å
983K91.8Very high87.6Confident77 Ų7751.1 Ų51.134%0.33527%0.271SS..EExtended strand (participates in β ladder)trans-79.1129.6179.1-164.9171.6-175170.50110.5I643 Y972 S1035I643-K983 HydrophobicContact CG2-CD 4.2Å; I643-K983 HydrophobicContact CG2-CG 3.82Å; Y972-K983 HydrophobicContact CD2-CB 3.99Å; Y972-K983 HydrophobicContact CD2-CG 4.01Å; Y972-K983 HydrophobicContact CE2-CB 3.81Å; Y972-K983 HydrophobicContact CE2-CG 4.18Å; Y972-K983 HydrophobicContact CG-CG 4.3Å; K983-S1035 WeakPolarHBondContact CB-O 3.38Å; K983-S1035 PolarHBondContact N-O 3.01Å; K983-S1035 PolarHBondContact O-N 3.39Å
984L91.9Very high87.6Confident0 Ų047.6 Ų47.60%025%0.249CC..EExtended strand (participates in β ladder)trans-110131.5174.9-62.6-174.6000110.1M644 F646 M1028 V1032 V1034M644-L984 HydrophobicContact CB-CB 4.16Å; M644-L984 PolarHBondContact N-O 3.49Å; M644-L984 WeakPolarHBondContact O-CA 3.38Å; M644-L984 PolarHBondContact O-N 3.34Å; F646-L984 HydrophobicContact CB-CD1 4Å; F646-L984 HydrophobicContact CB-CG 4.24Å; L984-M1028 HydrophobicContact CD1-CE 4.25Å; L984-M1028 HydrophobicContact CD1-CG 4.2Å; L984-M1028 HydrophobicContact CD1-SD 4.36Å; L984-V1032 HydrophobicContact CD2-CG2 4.37Å; L984-V1034 HydrophobicContact CD2-CG2 4.12Å
985T92.3Very high87.7Confident33 Ų3347.4 Ų47.420%0.20225%0.248CC..EExtended strand (participates in β ladder)trans-133158.8176.646.70000110.3W597 G987 V1032 K1033W597-T985 WeakPolarHBondContact CZ2-O 3.45Å; T985-G987 PolarHBondContact O-N 2.95Å; T985-V1032 CarbonylContact O-C 3.57Å; T985-V1032 WeakPolarHBondContact O-CA 3.48Å; T985-K1033 PolarHBondContact N-O 3.11Å; T985-K1033 VanDerWaalsContact N-O 3.11Å; T985-K1033 PolarHBondContact O-N 3.05Å; T985-K1033 PolarHBondContact OG1-O 3.41Å
986P91.4Very high87.8Confident24 Ų2454.1 Ų54.116%0.15627%0.273CS..EExtended strand (participates in β ladder)trans-53.2129.2174-30.536.6000112.7W597 K600 L642W597-P986 HydrophobicContact CD2-CG 3.95Å; W597-P986 HydrophobicContact CE3-CG 4.1Å; W597-P986 HydrophobicContact CG-CG 4.46Å; W597-P986 HydrophobicContact CH2-CG 4.27Å; W597-P986 HydrophobicContact CZ2-CG 4.1Å; W597-P986 HydrophobicContact CZ3-CG 4.26Å; W597-P986 WeakPolarHBondContact O-CB 3.39Å; K600-P986 HydrophobicContact CD-CB 4.4Å; K600-P986 HydrophobicContact CG-CB 3.87Å; K600-P986 HydrophobicContact CG-CG 4.48Å; L642-P986 HydrophobicContact CB-CG 3.94Å; L642-P986 HydrophobicContact CD1-CG 4.06Å; L642-P986 WeakPolarHBondContact O-CD 3.33Å
987G88.8Confident88.2Confident27 Ų2754.6 Ų54.628%0.27828%0.275SS..EExtended strand (participates in β ladder)trans-159.2-158.7-170.100000114.8T985 K1031T985-G987 PolarHBondContact O-N 2.95Å; G987-K1031 PolarHBondContact N-O 3.34Å; G987-K1031 VanDerWaalsContact N-O 3.08Å; G987-K1031 CarbonylContact O-C 3.51Å; G987-K1031 WeakPolarHBondContact O-CB 3.25Å
988S86.8Confident88.6Confident110 Ų11052.5 Ų52.577%0.76926%0.264SS*.EExtended strand (participates in β ladder)trans-113.7-8.6-174.8590000114.4
989Q88.4Confident88.7Confident54 Ų5453 Ų5325%0.25227%0.267SS..EExtended strand (participates in β ladder)trans-81.5135.5-178-50.9-172.16.100110.9K1031 V1032Q989-K1031 WeakPolarHBondContact O-CA 3.44Å; Q989-V1032 VanDerWaalsContact CB-O 3.23Å; Q989-V1032 WeakPolarHBondContact CB-O 3.35Å; Q989-V1032 PolarHBondContact N-O 2.93Å; Q989-V1032 PolarHBondContact O-N 3.42Å
990K89.6Confident88.7Confident175 Ų17554 Ų5476%0.76128%0.276SS*.EExtended strand (participates in β ladder)trans-65.4133.9169.7-63-173.9178.9-174.40109.6G992 K993 A994K990-G992 VanDerWaalsContact C-N 3.29Å; K990-G992 PolarHBondContact O-N 3.3Å; K990-G992 VanDerWaalsContact O-N 3.08Å; K990-K993 PolarHBondContact O-N 3.23Å; K990-A994 PolarHBondContact O-N 2.86Å; K990-A994 VanDerWaalsContact O-N 3.16Å
991K88.3Confident88.7Confident80 Ų8054.5 Ų54.535%0.34828%0.281SS..Hα-helixtrans-46.4-40.7-175.760-176-1651570116.3K993 A994 A995 S1025 M1028K991-K993 PolarHBondContact O-N 2.95Å; K991-A994 WeakPolarHBondContact O-CB 3.38Å; K991-A994 PolarHBondContact O-N 3.46Å; K991-A995 WeakPolarHBondContact O-CB 3.35Å; K991-A995 PolarHBondContact O-N 3.49Å; K991-S1025 VanDerWaalsContact CD-O 3.25Å; K991-S1025 WeakPolarHBondContact CD-O 3.5Å; K991-S1025 WeakPolarHBondContact CE-O 3.38Å; K991-S1025 PolarHBondContact NZ-O 2.92Å; K991-M1028 HydrophobicContact CB-CB 3.86Å; K991-M1028 HydrophobicContact CB-SD 4.35Å; K991-M1028 HydrophobicContact CD-CB 4.39Å
992G86.3Confident88.6Confident28 Ų2851.5 Ų51.529%0.28927%0.267SS..Hα-helixtrans-63.1-33.2175.200000115K990 R996K990-G992 VanDerWaalsContact C-N 3.29Å; K990-G992 PolarHBondContact O-N 3.3Å; K990-G992 VanDerWaalsContact O-N 3.08Å; G992-R996 WeakPolarHBondContact O-CG 3.31Å; G992-R996 PolarHBondContact O-N 2.99Å
993K87.4Confident88.4Confident142 Ų14253.2 Ų53.262%0.61728%0.276SS*.Hα-helixtrans-75.2-38.2172.9-175.4175.2178.4179.40110.9K990 K991 T997K990-K993 PolarHBondContact O-N 3.23Å; K991-K993 PolarHBondContact O-N 2.95Å; K993-T997 WeakPolarHBondContact O-CB 3.42Å; K993-T997 PolarHBondContact O-N 2.76Å; K993-T997 PolarHBondContact O-OG1 2.84Å
994A88.3Confident87.9Confident0 Ų057 Ų570%029%0.292CS..Hα-helixtrans-61.3-50.1176.600000111.8K990 K991 R996 T997 A998 M1028 V1032 V1034K990-A994 PolarHBondContact O-N 2.86Å; K990-A994 VanDerWaalsContact O-N 3.16Å; K991-A994 WeakPolarHBondContact O-CB 3.38Å; K991-A994 PolarHBondContact O-N 3.46Å; A994-R996 PolarHBondContact O-N 3.43Å; A994-T997 WeakPolarHBondContact O-CA 3.27Å; A994-T997 WeakPolarHBondContact O-CB 3.34Å; A994-T997 PolarHBondContact O-N 3.05Å; A994-A998 PolarHBondContact O-N 3.48Å; A994-M1028 HydrophobicContact CB-SD 4.17Å; A994-V1032 HydrophobicContact CB-CG2 3.23Å; A994-V1034 HydrophobicContact CB-CG2 3.4Å; A994-V1034 VanDerWaalsContact CB-CG2 3.4Å
995A88.5Confident87.4Confident1 Ų157.6 Ų57.61%0.00830%0.298CS..Hα-helixtrans-57.3-49.7178.100000112.8K991 T997 A998 V999 L1024 M1028K991-A995 WeakPolarHBondContact O-CB 3.35Å; K991-A995 PolarHBondContact O-N 3.49Å; A995-T997 PolarHBondContact O-N 3.41Å; A995-A998 PolarHBondContact O-N 2.88Å; A995-V999 PolarHBondContact O-N 3.39Å; A995-L1024 HydrophobicContact CB-CB 4Å; A995-M1028 HydrophobicContact CB-CE 3.72Å; A995-M1028 HydrophobicContact CB-SD 3.94Å
996R87.9Confident86.4Confident141 Ų14165.4 Ų65.453%0.53233%0.329SS..Hα-helixtrans-58.6-35.7173.1-72.2178.2178.3175.9-0.4112.8G992 A994 L1000 D1021G992-R996 WeakPolarHBondContact O-CG 3.31Å; G992-R996 PolarHBondContact O-N 2.99Å; A994-R996 PolarHBondContact O-N 3.43Å; R996-L1000 WeakPolarHBondContact O-CB 3.16Å; R996-L1000 WeakPolarHBondContact O-CD1 3.28Å; R996-L1000 WeakPolarHBondContact O-CG 3.21Å; R996-L1000 PolarHBondContact O-N 3.25Å; R996-D1021 WeakPolarHBondContact CG-OD1 3.29Å; R996-D1021 IonicContact CZ-OD1 3.67Å; R996-D1021 IonicContact CZ-OD2 3.14Å; R996-D1021 VanDerWaalsContact NE-CG 3.3Å; R996-D1021 IonicContact NE-OD1 3.75Å; R996-D1021 PolarHBondContact NE-OD1 2.9Å; R996-D1021 IonicContact NE-OD2 2.67Å; R996-D1021 PolarHBondContact NE-OD2 2.97Å; R996-D1021 IonicContact NH2-OD1 3.01Å; R996-D1021 IonicContact NH2-OD2 2.67Å; R996-D1021 PolarHBondContact NH2-OD2 2.85Å
997T87.9Confident85.7Confident40 Ų4069.6 Ų69.625%0.24535%0.35CS..Hα-helixtrans-70.2-37.6178.3-53.80000111.6K993 A994 A995 S1001 L1039K993-T997 WeakPolarHBondContact O-CB 3.42Å; K993-T997 PolarHBondContact O-N 2.76Å; K993-T997 PolarHBondContact O-OG1 2.84Å; A994-T997 WeakPolarHBondContact O-CA 3.27Å; A994-T997 WeakPolarHBondContact O-CB 3.34Å; A994-T997 PolarHBondContact O-N 3.05Å; A995-T997 PolarHBondContact O-N 3.41Å; T997-S1001 PolarHBondContact O-N 3Å; T997-L1039 HydrophobicContact CG2-CD1 4.37Å; T997-L1039 HydrophobicContact CG2-CD2 4.34Å
998A87.6Confident85.2Confident0 Ų068.6 Ų68.60%034%0.339CS..Hα-helixtrans-66.7-47.7173.300000111.8F646 V982 A994 A995 L1000 S1001 F1002 V1034F646-A998 HydrophobicContact CD1-CB 3.77Å; F646-A998 HydrophobicContact CE1-CB 4.11Å; V982-A998 HydrophobicContact CB-CB 4.39Å; V982-A998 HydrophobicContact CG2-CB 4.05Å; A994-A998 PolarHBondContact O-N 3.48Å; A995-A998 PolarHBondContact O-N 2.88Å; A998-L1000 VanDerWaalsContact C-N 3.33Å; A998-L1000 PolarHBondContact O-N 3.09Å; A998-S1001 WeakPolarHBondContact O-CA 3.29Å; A998-S1001 WeakPolarHBondContact O-CB 3.45Å; A998-S1001 PolarHBondContact O-N 3.4Å; A998-F1002 WeakPolarHBondContact O-CD2 3.11Å; A998-F1002 PolarHBondContact O-N 3.07Å; A998-F1002 VanDerWaalsContact O-N 3.08Å; A998-V1034 HydrophobicContact CB-CG1 4.36Å
999V87.4Confident85Confident13 Ų1366 Ų668%0.07932%0.321CS..Hα-helixtrans-60.2-40.6176.6170.30000112.2F646 F648 A995 S1001 F1002 I1003 F1016 L1024F646-V999 HydrophobicContact CE1-CG2 4.41Å; F648-V999 HydrophobicContact CE2-CG2 4.06Å; F648-V999 HydrophobicContact CZ-CG2 4Å; A995-V999 PolarHBondContact O-N 3.39Å; V999-S1001 PolarHBondContact O-N 3.42Å; V999-F1002 PolarHBondContact O-N 3.22Å; V999-I1003 HydrophobicContact CG1-CD1 3.71Å; V999-I1003 HydrophobicContact CG1-CG1 4.37Å; V999-I1003 WeakPolarHBondContact O-CG1 3.19Å; V999-I1003 PolarHBondContact O-N 3.2Å; V999-F1016 HydrophobicContact CG1-CB 4.26Å; V999-L1024 HydrophobicContact CG2-CD1 3.95Å; V999-L1024 HydrophobicContact CG2-CD2 3.98Å
1000L86.1Confident84.6Confident105 Ų10566.9 Ų66.955%0.5534%0.337SS..Hα-helixtrans-65.4-22.8172.8-75169.7000113.4R996 A998 K1004R996-L1000 WeakPolarHBondContact O-CB 3.16Å; R996-L1000 WeakPolarHBondContact O-CD1 3.28Å; R996-L1000 WeakPolarHBondContact O-CG 3.21Å; R996-L1000 PolarHBondContact O-N 3.25Å; A998-L1000 VanDerWaalsContact C-N 3.33Å; A998-L1000 PolarHBondContact O-N 3.09Å; L1000-K1004 WeakPolarHBondContact O-CB 3.48Å; L1000-K1004 VanDerWaalsContact O-CG 3.28Å; L1000-K1004 WeakPolarHBondContact O-CG 3.31Å; L1000-K1004 PolarHBondContact O-N 3.23Å
1001S86.2Confident84.2Confident20 Ų2064.7 Ų64.714%0.1432%0.324CS..Hα-helixtrans-74.5-44.2172-158.80000111.1T997 A998 V999 K1004 A1005T997-S1001 PolarHBondContact O-N 3Å; A998-S1001 WeakPolarHBondContact O-CA 3.29Å; A998-S1001 WeakPolarHBondContact O-CB 3.45Å; A998-S1001 PolarHBondContact O-N 3.4Å; V999-S1001 PolarHBondContact O-N 3.42Å; S1001-K1004 PolarHBondContact O-N 3.36Å; S1001-A1005 PolarHBondContact O-N 3.25Å
1002F87.2Confident84Confident9 Ų961.1 Ų61.14%0.03931%0.309CS..Hα-helixtrans-65.3-43.6177.1-55.6-42.7000112.4F646 F648 H980 V982 A998 V999 K1004 A1005 F1016F646-F1002 HydrophobicContact CD1-CE2 4.2Å; F646-F1002 HydrophobicContact CE1-CE2 4.17Å; F648-F1002 AromaticContact CD2-CD2 3.91Å; F648-F1002 HydrophobicContact CD2-CD2 3.91Å; F648-F1002 AromaticContact CD2-CE2 3.77Å; F648-F1002 HydrophobicContact CD2-CE2 3.77Å; F648-F1002 AromaticContact CE2-CD2 3.71Å; F648-F1002 HydrophobicContact CE2-CD2 3.71Å; F648-F1002 AromaticContact CE2-CE2 3.72Å; F648-F1002 HydrophobicContact CE2-CE2 3.72Å; H980-F1002 HydrophobicContact CB-CD1 3.85Å; H980-F1002 HydrophobicContact CB-CE1 3.87Å; H980-F1002 HydrophobicContact CB-CG 4.24Å; H980-F1002 HydrophobicContact CB-CZ 4.25Å; H980-F1002 AromaticContact ND1-CD1 3.8Å; H980-F1002 WeakPolarHBondContact O-CZ 3.38Å; V982-F1002 HydrophobicContact CG2-CE1 3.57Å; V982-F1002 HydrophobicContact CG2-CZ 3.6Å; A998-F1002 WeakPolarHBondContact O-CD2 3.11Å; A998-F1002 PolarHBondContact O-N 3.07Å; A998-F1002 VanDerWaalsContact O-N 3.08Å; V999-F1002 PolarHBondContact O-N 3.22Å; F1002-K1004 PolarHBondContact O-N 3.2Å; F1002-A1005 WeakPolarHBondContact O-CB 3.36Å; F1002-A1005 PolarHBondContact O-N 3.47Å; F1002-F1016 HydrophobicContact CB-CD2 3.95Å; F1002-F1016 HydrophobicContact CB-CE2 3.67Å; F1002-F1016 HydrophobicContact CB-CZ 4.09Å
1003I85.5Confident83.8Confident39 Ų3962 Ų6220%0.231%0.305CS..Hα-helixtrans-62.9-25.3176.8-67.2170.4000111.9V999 K1013 F1016 R1017V999-I1003 HydrophobicContact CG1-CD1 3.71Å; V999-I1003 HydrophobicContact CG1-CG1 4.37Å; V999-I1003 WeakPolarHBondContact O-CG1 3.19Å; V999-I1003 PolarHBondContact O-N 3.2Å; I1003-K1013 WeakPolarHBondContact O-CE 3.37Å; I1003-F1016 HydrophobicContact CD1-CB 4.29Å; I1003-F1016 HydrophobicContact CG1-CB 4.1Å; I1003-F1016 HydrophobicContact CG1-CD2 4.09Å; I1003-R1017 HydrophobicContact CD1-CG 4.09Å
1004K81.9Confident83.5Confident155 Ų15559.3 Ų59.367%0.67430%0.297SS*.THydrogen-bonded Turntrans-89.1-7.4175.8-78.4-175.7173.4-167.50114.7L1000 S1001 F1002L1000-K1004 WeakPolarHBondContact O-CB 3.48Å; L1000-K1004 VanDerWaalsContact O-CG 3.28Å; L1000-K1004 WeakPolarHBondContact O-CG 3.31Å; L1000-K1004 PolarHBondContact O-N 3.23Å; S1001-K1004 PolarHBondContact O-N 3.36Å; F1002-K1004 PolarHBondContact O-N 3.2Å
1005A80.6Confident83.2Confident13 Ų1360 Ų6011%0.10730%0.3CS..  trans-64.8141.7175.200000110.5S1001 F1002 D1007 A1008 K1013S1001-A1005 PolarHBondContact O-N 3.25Å; F1002-A1005 WeakPolarHBondContact O-CB 3.36Å; F1002-A1005 PolarHBondContact O-N 3.47Å; A1005-D1007 VanDerWaalsContact C-N 3.29Å; A1005-A1008 HydrophobicContact CB-CB 4.16Å; A1005-K1013 PolarHBondContact O-NZ 3.12Å
1006K73.1Confident83.1Confident198 Ų19860 Ų6086%0.86130%0.3SS*.THydrogen-bonded Turntrans-62.8-44.3175.7-69.9-179.2177.7177.90109.6A1008K1006-A1008 PolarHBondContact O-N 3.25Å
1007D75.8Confident82.7Confident111 Ų11160.9 Ų60.959%0.59430%0.304SS*.THydrogen-bonded Turntrans-831.4-165.4-21.4-73.4000112.7K979 A1005K979-D1007 VanDerWaalsContact CE-O 3.26Å; K979-D1007 WeakPolarHBondContact CE-O 3.37Å; K979-D1007 PolarHBondContact NZ-O 2.61Å; A1005-D1007 VanDerWaalsContact C-N 3.29Å
1008A78.4Confident82.2Confident6 Ų660.6 Ų60.65%0.0530%0.303CS..  trans-83.1119.5176.200000111A1005 K1006 E1012 K1013A1005-A1008 HydrophobicContact CB-CB 4.16Å; K1006-A1008 PolarHBondContact O-N 3.25Å; A1008-E1012 WeakPolarHBondContact CA-OE2 3.21Å; A1008-K1013 HydrophobicContact CB-CD 4.2Å; A1008-K1013 HydrophobicContact CB-CG 4.09Å; A1008-K1013 WeakPolarHBondContact O-CD 3.37Å; A1008-K1013 WeakPolarHBondContact O-CE 3.36Å; A1008-K1013 PolarHBondContact O-NZ 2.94Å
1009S82.9Confident81.8Confident56 Ų5661.7 Ų61.739%0.39231%0.31SS..  trans-61.9155.4177173.40000111.8R1011 E1012 K1013S1009-R1011 PolarHBondContact O-N 2.94Å; S1009-R1011 PolarHBondContact OG-N 3.34Å; S1009-E1012 PolarHBondContact N-OE2 3.12Å; S1009-E1012 VanDerWaalsContact N-OE2 3.13Å; S1009-E1012 PolarHBondContact O-N 2.98Å; S1009-K1013 WeakPolarHBondContact O-CB 3.42Å; S1009-K1013 WeakPolarHBondContact O-CG 3.17Å; S1009-K1013 PolarHBondContact O-N 3.38Å
1010A80.1Confident81.5Confident72 Ų7266 Ų6660%0.59533%0.328SS*.Hα-helixtrans-56-40171.900000111.4K1013 D1014A1010-K1013 PolarHBondContact O-N 3.42Å; A1010-D1014 PolarHBondContact O-N 2.87Å; A1010-D1014 VanDerWaalsContact O-N 3.08Å
1011R80.9Confident81.2Confident129 Ų12964.3 Ų64.349%0.48732%0.319SS..Hα-helixtrans-63.8-43.9176.4-17860.5175.5-175.70.1112.1L962 S1009 D1014 L1015L962-R1011 HydrophobicContact CB-CG 4.22Å; L962-R1011 PolarHBondContact O-NE 3.23Å; L962-R1011 PolarHBondContact O-NH2 3.2Å; S1009-R1011 PolarHBondContact O-N 2.94Å; S1009-R1011 PolarHBondContact OG-N 3.34Å; R1011-D1014 PolarHBondContact O-N 3.1Å; R1011-L1015 HydrophobicContact CG-CD1 4.37Å; R1011-L1015 WeakPolarHBondContact O-CB 3.37Å; R1011-L1015 WeakPolarHBondContact O-CG 3.43Å; R1011-L1015 PolarHBondContact O-N 2.89Å
1012E83.2Confident80.9Confident5 Ų566.5 Ų66.52%0.02334%0.339CS..Hα-helixtrans-61-45.3174-66.5170-166.500111.2F650 L962 K979 H980 A1008 S1009 D1014 L1015 F1016F650-E1012 HydrophobicContact CE1-CB 4.38Å; F650-E1012 HydrophobicContact CE1-CG 4.09Å; F650-E1012 HydrophobicContact CZ-CB 4.47Å; F650-E1012 HydrophobicContact CZ-CG 4.11Å; L962-E1012 HydrophobicContact CD1-CG 3.83Å; K979-E1012 IonicContact NZ-OE1 3.15Å; K979-E1012 PolarHBondContact NZ-OE1 3.33Å; K979-E1012 IonicContact NZ-OE2 3.7Å; H980-E1012 IonicContact CD2-OE2 3.96Å; H980-E1012 IonicContact CE1-OE2 3.77Å; H980-E1012 IonicContact NE2-OE2 2.65Å; H980-E1012 PolarHBondContact NE2-OE2 2.87Å; A1008-E1012 WeakPolarHBondContact CA-OE2 3.21Å; S1009-E1012 PolarHBondContact N-OE2 3.12Å; S1009-E1012 VanDerWaalsContact N-OE2 3.13Å; S1009-E1012 PolarHBondContact O-N 2.98Å; E1012-D1014 VanDerWaalsContact C-N 3.29Å; E1012-D1014 PolarHBondContact O-N 2.95Å; E1012-L1015 CarbonylContact O-C 3.51Å; E1012-L1015 PolarHBondContact O-N 3.29Å; E1012-L1015 VanDerWaalsContact O-N 3.13Å; E1012-F1016 HydrophobicContact CB-CE2 4.05Å; E1012-F1016 HydrophobicContact CB-CZ 4.16Å; E1012-F1016 VanDerWaalsContact O-CD2 3.25Å; E1012-F1016 WeakPolarHBondContact O-CD2 3.5Å; E1012-F1016 VanDerWaalsContact O-CG 3.25Å; E1012-F1016 WeakPolarHBondContact O-CG 3.41Å; E1012-F1016 PolarHBondContact O-N 3.14Å
1013K83.7Confident80.6Confident47 Ų4769 Ų6920%0.20435%0.352CS..Hα-helixtrans-59-36.4179.4-80.6160.2167.3142.70112.8I1003 A1005 A1008 S1009 A1010 R1017I1003-K1013 WeakPolarHBondContact O-CE 3.37Å; A1005-K1013 PolarHBondContact O-NZ 3.12Å; A1008-K1013 HydrophobicContact CB-CD 4.2Å; A1008-K1013 HydrophobicContact CB-CG 4.09Å; A1008-K1013 WeakPolarHBondContact O-CD 3.37Å; A1008-K1013 WeakPolarHBondContact O-CE 3.36Å; A1008-K1013 PolarHBondContact O-NZ 2.94Å; S1009-K1013 WeakPolarHBondContact O-CB 3.42Å; S1009-K1013 WeakPolarHBondContact O-CG 3.17Å; S1009-K1013 PolarHBondContact O-N 3.38Å; A1010-K1013 PolarHBondContact O-N 3.42Å; K1013-R1017 WeakPolarHBondContact O-CD 3.39Å; K1013-R1017 VanDerWaalsContact O-CG 3.3Å; K1013-R1017 WeakPolarHBondContact O-CG 3.45Å; K1013-R1017 PolarHBondContact O-N 3.07Å
1014D80.5Confident80.5Confident86 Ų8667.4 Ų67.446%0.4634%0.344SS..Hα-helixtrans-79.3-34.6174.2-70.1-28.2000113A1010 R1011 E1012 F1016 R1017 S1018A1010-D1014 PolarHBondContact O-N 2.87Å; A1010-D1014 VanDerWaalsContact O-N 3.08Å; R1011-D1014 PolarHBondContact O-N 3.1Å; E1012-D1014 VanDerWaalsContact C-N 3.29Å; E1012-D1014 PolarHBondContact O-N 2.95Å; D1014-F1016 VanDerWaalsContact C-N 3.27Å; D1014-F1016 PolarHBondContact O-N 3.18Å; D1014-R1017 WeakPolarHBondContact O-CB 3.43Å; D1014-R1017 PolarHBondContact O-N 2.86Å; D1014-R1017 IonicContact OD1-CZ 2.77Å; D1014-R1017 IonicContact OD1-NH1 2.65Å; D1014-R1017 PolarHBondContact OD1-NH1 2.92Å; D1014-S1018 PolarHBondContact O-N 3.06Å; D1014-S1018 VanDerWaalsContact O-N 3.09Å
1015L82.6Confident80.7Confident13 Ų1361 Ų617%0.06832%0.319CS..Hα-helixtrans-66.2-25.1170.8-70.8-179.7000113.4F650 L962 A965 R1011 E1012 S1018F650-L1015 HydrophobicContact CD1-CD1 4.14Å; F650-L1015 HydrophobicContact CE1-CD1 4.46Å; L962-L1015 HydrophobicContact CB-CD1 3.71Å; A965-L1015 HydrophobicContact CB-CB 3.93Å; R1011-L1015 HydrophobicContact CG-CD1 4.37Å; R1011-L1015 WeakPolarHBondContact O-CB 3.37Å; R1011-L1015 WeakPolarHBondContact O-CG 3.43Å; R1011-L1015 PolarHBondContact O-N 2.89Å; E1012-L1015 CarbonylContact O-C 3.51Å; E1012-L1015 PolarHBondContact O-N 3.29Å; E1012-L1015 VanDerWaalsContact O-N 3.13Å; L1015-S1018 PolarHBondContact O-OG 3.28Å
1016F84.9Confident80.9Confident2 Ų264.7 Ų64.71%0.00933%0.33CS..Hα-helixtrans-74.8-25.4169.4-60.3-37.2000113.2F648 F650 H980 V999 F1002 I1003 E1012 D1014F648-F1016 HydrophobicContact CB-CE1 4.08Å; F648-F1016 HydrophobicContact CD1-CD1 4.34Å; F648-F1016 AromaticContact CD2-CD1 3.61Å; F648-F1016 HydrophobicContact CD2-CD1 3.61Å; F648-F1016 AromaticContact CD2-CE1 3.46Å; F648-F1016 HydrophobicContact CD2-CE1 3.46Å; F648-F1016 VanDerWaalsContact CD2-CE1 3.46Å; F648-F1016 HydrophobicContact CE1-CD1 4.34Å; F648-F1016 AromaticContact CE2-CD1 3.63Å; F648-F1016 HydrophobicContact CE2-CD1 3.63Å; F648-F1016 AromaticContact CE2-CE1 3.96Å; F648-F1016 HydrophobicContact CE2-CE1 3.96Å; F648-F1016 AromaticContact CG-CD1 3.98Å; F648-F1016 HydrophobicContact CG-CD1 3.98Å; F648-F1016 AromaticContact CG-CE1 3.78Å; F648-F1016 HydrophobicContact CG-CE1 3.78Å; F648-F1016 AromaticContact CZ-CD1 3.99Å; F648-F1016 HydrophobicContact CZ-CD1 3.99Å; F650-F1016 HydrophobicContact CE1-CE1 4.11Å; F650-F1016 AromaticContact CZ-CE1 3.65Å; F650-F1016 HydrophobicContact CZ-CE1 3.65Å; F650-F1016 AromaticContact CZ-CZ 3.86Å; F650-F1016 HydrophobicContact CZ-CZ 3.86Å; H980-F1016 HydrophobicContact CB-CZ 4.24Å; H980-F1016 AromaticContact CD2-CZ 3.63Å; H980-F1016 AromaticContact CG-CZ 3.68Å; H980-F1016 AromaticContact ND1-CZ 3.96Å; H980-F1016 AromaticContact NE2-CZ 3.85Å; V999-F1016 HydrophobicContact CG1-CB 4.26Å; F1002-F1016 HydrophobicContact CB-CD2 3.95Å; F1002-F1016 HydrophobicContact CB-CE2 3.67Å; F1002-F1016 HydrophobicContact CB-CZ 4.09Å; I1003-F1016 HydrophobicContact CD1-CB 4.29Å; I1003-F1016 HydrophobicContact CG1-CB 4.1Å; I1003-F1016 HydrophobicContact CG1-CD2 4.09Å; E1012-F1016 HydrophobicContact CB-CE2 4.05Å; E1012-F1016 HydrophobicContact CB-CZ 4.16Å; E1012-F1016 VanDerWaalsContact O-CD2 3.25Å; E1012-F1016 WeakPolarHBondContact O-CD2 3.5Å; E1012-F1016 VanDerWaalsContact O-CG 3.25Å; E1012-F1016 WeakPolarHBondContact O-CG 3.41Å; E1012-F1016 PolarHBondContact O-N 3.14Å; D1014-F1016 VanDerWaalsContact C-N 3.27Å; D1014-F1016 PolarHBondContact O-N 3.18Å
1017R79.9Confident81.5Confident160 Ų16056 Ų5660%0.60429%0.293SS*.Hα-helixtrans-84.1-27.1-179.8-69.8164.3177.7169.9-5.3112.9I1003 K1013 D1014I1003-R1017 HydrophobicContact CD1-CG 4.09Å; K1013-R1017 WeakPolarHBondContact O-CD 3.39Å; K1013-R1017 VanDerWaalsContact O-CG 3.3Å; K1013-R1017 WeakPolarHBondContact O-CG 3.45Å; K1013-R1017 PolarHBondContact O-N 3.07Å; D1014-R1017 WeakPolarHBondContact O-CB 3.43Å; D1014-R1017 PolarHBondContact O-N 2.86Å; D1014-R1017 IonicContact OD1-CZ 2.77Å; D1014-R1017 IonicContact OD1-NH1 2.65Å; D1014-R1017 PolarHBondContact OD1-NH1 2.92Å
1018S77.2Confident82.1Confident33 Ų3351 Ų5123%0.23127%0.266CS..Hα-helixtrans-71.8-27.9178.256.40000113.9Q512 D1014 L1015 K1020Q512-S1018 VanDerWaalsContact OE1-CB 3.22Å; D1014-S1018 PolarHBondContact O-N 3.06Å; D1014-S1018 VanDerWaalsContact O-N 3.09Å; L1015-S1018 PolarHBondContact O-OG 3.28Å; S1018-K1020 PolarHBondContact O-N 3.08Å
1019V80.7Confident82.4Confident23 Ų2351 Ų5114%0.13927%0.266CS..SBendtrans-76.4123.3-176.2-176.70000111.1F648 P967 L1024F648-V1019 HydrophobicContact CE1-CB 4.39Å; F648-V1019 HydrophobicContact CE1-CG1 4.47Å; F648-V1019 HydrophobicContact CE1-CG2 4.13Å; P967-V1019 HydrophobicContact CB-CG1 4.49Å; P967-V1019 HydrophobicContact CG-CG1 3.82Å; V1019-L1024 HydrophobicContact CB-CD2 3.99Å; V1019-L1024 HydrophobicContact CB-CG 4.47Å; V1019-L1024 HydrophobicContact CG1-CD2 3.5Å; V1019-L1024 VanDerWaalsContact CG1-CD2 3.5Å; V1019-L1024 HydrophobicContact CG1-CG 3.9Å
1020K80.5Confident82.4Confident104 Ų10450.3 Ų50.345%0.45227%0.268SS..  trans-69.6140.9-173-60.9169.2-169.3164.90112.1E64 S1018 A1022 D1023 L1024E64-K1020 IonicContact OE1-NZ 3.59Å; E64-K1020 PolarHBondContact OE1-NZ 3.45Å; E64-K1020 IonicContact OE2-NZ 3.85Å; E64-K1020 PolarHBondContact OE2-NZ 3.34Å; S1018-K1020 PolarHBondContact O-N 3.08Å; K1020-A1022 PolarHBondContact O-N 3.3Å; K1020-D1023 PolarHBondContact O-N 3.02Å; K1020-L1024 WeakPolarHBondContact O-CG 3.32Å; K1020-L1024 PolarHBondContact O-N 3.32Å
1021D78.6Confident82.8Confident69 Ų6952.3 Ų52.337%0.36926%0.263SS..Hα-helixtrans-46.4-35.1173.9-85.4-51.1000114.9R996 S1025R996-D1021 WeakPolarHBondContact CG-OD1 3.29Å; R996-D1021 IonicContact CZ-OD1 3.67Å; R996-D1021 IonicContact CZ-OD2 3.14Å; R996-D1021 VanDerWaalsContact NE-CG 3.3Å; R996-D1021 IonicContact NE-OD1 3.75Å; R996-D1021 PolarHBondContact NE-OD1 2.9Å; R996-D1021 IonicContact NE-OD2 2.67Å; R996-D1021 PolarHBondContact NE-OD2 2.97Å; R996-D1021 IonicContact NH2-OD1 3.01Å; R996-D1021 IonicContact NH2-OD2 2.67Å; R996-D1021 PolarHBondContact NH2-OD2 2.85Å; D1021-S1025 PolarHBondContact O-N 3.03Å; D1021-S1025 PolarHBondContact O-OG 2.86Å
1022A80.4Confident83.3Confident67 Ų6746.2 Ų46.255%0.55424%0.24SC*.Hα-helixtrans-61.8-50.6177.700000110.9K1020 S1025 R1026K1020-A1022 PolarHBondContact O-N 3.3Å; A1022-S1025 PolarHBondContact O-N 3.4Å; A1022-R1026 VanDerWaalsContact O-CB 3.29Å; A1022-R1026 WeakPolarHBondContact O-CB 3.46Å; A1022-R1026 PolarHBondContact O-N 3.07Å
1023D80.9Confident83.6Confident60 Ų6051.8 Ų51.832%0.32126%0.264SS..Hα-helixtrans-74.1-39.6-177.4-60.5-61.5000111.6K1020 S1025 R1026K1020-D1023 PolarHBondContact O-N 3.02Å; D1023-S1025 PolarHBondContact O-N 3.42Å; D1023-S1025 VanDerWaalsContact O-N 3.1Å; D1023-R1026 PolarHBondContact O-N 3.23Å; D1023-R1026 IonicContact OD1-NH1 3.59Å
1024L84.4Confident83.8Confident7 Ų750 Ų504%0.03726%0.257CS..Hα-helixtrans-52.8-32172.4-66.2179000113.4F646 F648 P967 A995 V999 V1019 K1020F646-L1024 WeakPolarHBondContact CE2-O 3.45Å; F646-L1024 HydrophobicContact CZ-CD2 4.13Å; F648-L1024 HydrophobicContact CE1-CD2 4.02Å; F648-L1024 HydrophobicContact CZ-CD2 3.61Å; P967-L1024 HydrophobicContact CB-CD2 4.09Å; A995-L1024 HydrophobicContact CB-CB 4Å; V999-L1024 HydrophobicContact CG2-CD1 3.95Å; V999-L1024 HydrophobicContact CG2-CD2 3.98Å; V1019-L1024 HydrophobicContact CB-CD2 3.99Å; V1019-L1024 HydrophobicContact CB-CG 4.47Å; V1019-L1024 HydrophobicContact CG1-CD2 3.5Å; V1019-L1024 VanDerWaalsContact CG1-CD2 3.5Å; V1019-L1024 HydrophobicContact CG1-CG 3.9Å; K1020-L1024 WeakPolarHBondContact O-CG 3.32Å; K1020-L1024 PolarHBondContact O-N 3.32Å
1025S85.2Confident84.1Confident20 Ų2047.9 Ų47.914%0.1425%0.249CC..Hα-helixtrans-112.60.6-176.866.60000114.5K991 D1021 A1022 D1023K991-S1025 VanDerWaalsContact CD-O 3.25Å; K991-S1025 WeakPolarHBondContact CD-O 3.5Å; K991-S1025 WeakPolarHBondContact CE-O 3.38Å; K991-S1025 PolarHBondContact NZ-O 2.92Å; D1021-S1025 PolarHBondContact O-N 3.03Å; D1021-S1025 PolarHBondContact O-OG 2.86Å; A1022-S1025 PolarHBondContact O-N 3.4Å; D1023-S1025 PolarHBondContact O-N 3.42Å; D1023-S1025 VanDerWaalsContact O-N 3.1Å
1026R84.7Confident83.7Confident90 Ų9048 Ų4834%0.3425%0.252SS..Hα-helixtrans-68.5-36.3177.4-179.6170.3167.8-145.6-13.9112.4E521 K522 A1022 D1023E521-R1026 PolarHBondContact O-NH2 2.94Å; K522-R1026 PolarHBondContact O-NH2 3.26Å; A1022-R1026 VanDerWaalsContact O-CB 3.29Å; A1022-R1026 WeakPolarHBondContact O-CB 3.46Å; A1022-R1026 PolarHBondContact O-N 3.07Å; D1023-R1026 PolarHBondContact O-N 3.23Å; D1023-R1026 IonicContact OD1-NH1 3.59Å
1027N85.9Confident82.5Confident17 Ų1753.4 Ų53.49%0.09129%0.287CS..THydrogen-bonded Turntrans-102.212.1-175-64.1-12.7000113.7R538 Y593 C969R538-N1027 PolarHBondContact NH2-OD1 2.95Å; Y593-N1027 PolarHBondContact OH-O 2.98Å; C969-N1027 HydrophobicContact CB-CB 4.2Å; C969-N1027 WeakPolarHBondContact CB-O 3.38Å; C969-N1027 PolarHBondContact SG-O 3.44Å; C969-N1027 VanDerWaalsContact SG-O 3.39Å
1028M88.9Confident81.4Confident6 Ų650.7 Ų50.73%0.0329%0.285CS..SBendtrans-91.4144.3173.3-74-170.2174.300112F646 L984 K991 A994 A995F646-M1028 HydrophobicContact CB-CE 3.86Å; F646-M1028 HydrophobicContact CD1-CE 3.82Å; F646-M1028 HydrophobicContact CD2-CE 3.4Å; F646-M1028 VanDerWaalsContact CD2-CE 3.4Å; F646-M1028 HydrophobicContact CD2-CG 4.45Å; F646-M1028 HydrophobicContact CE1-CE 4.19Å; F646-M1028 HydrophobicContact CE2-CE 3.8Å; F646-M1028 HydrophobicContact CG-CE 3.4Å; F646-M1028 VanDerWaalsContact CG-CE 3.4Å; F646-M1028 HydrophobicContact CZ-CE 4.18Å; L984-M1028 HydrophobicContact CD1-CE 4.25Å; L984-M1028 HydrophobicContact CD1-CG 4.2Å; L984-M1028 HydrophobicContact CD1-SD 4.36Å; K991-M1028 HydrophobicContact CB-CB 3.86Å; K991-M1028 HydrophobicContact CB-SD 4.35Å; K991-M1028 HydrophobicContact CD-CB 4.39Å; A994-M1028 HydrophobicContact CB-SD 4.17Å; A995-M1028 HydrophobicContact CB-CE 3.72Å; A995-M1028 HydrophobicContact CB-SD 3.94Å
1029P84.4Confident80.4Confident5 Ų550 Ų503%0.03228%0.278CS..  trans-64.6175.8167.528.7-34.7000112.1Y593 W597 M644 V1032Y593-P1029 HydrophobicContact CD1-CB 4.31Å; Y593-P1029 HydrophobicContact CE1-CB 4.04Å; W597-P1029 HydrophobicContact CD2-CB 3.89Å; W597-P1029 HydrophobicContact CD2-CG 4.17Å; W597-P1029 HydrophobicContact CE3-CB 4.27Å; W597-P1029 HydrophobicContact CE3-CG 4.28Å; W597-P1029 HydrophobicContact CG-CB 4.27Å; W597-P1029 HydrophobicContact CH2-CG 3.86Å; W597-P1029 HydrophobicContact CZ2-CB 4.27Å; W597-P1029 HydrophobicContact CZ2-CG 3.73Å; W597-P1029 HydrophobicContact CZ3-CG 4.14Å; M644-P1029 HydrophobicContact CG-CG 4.37Å; P1029-V1032 HydrophobicContact CG-CG1 4.09Å; P1029-V1032 WeakPolarHBondContact O-CG1 3.5Å
1030G83.4Confident78.9Confident42 Ų4255 Ų5543%0.43330%0.304SS..SBendtrans-53.9-94.5-159.400000117.2
1031K88.6Confident77.3Confident114 Ų11453.4 Ų53.450%0.49631%0.309SS..EExtended strand (participates in β ladder)trans-102.2128.9171.9-59170.5-168.5145.50108.9W597 G987 Q989W597-K1031 PolarHBondContact NE1-O 3.01Å; G987-K1031 PolarHBondContact N-O 3.34Å; G987-K1031 VanDerWaalsContact N-O 3.08Å; G987-K1031 CarbonylContact O-C 3.51Å; G987-K1031 WeakPolarHBondContact O-CB 3.25Å; Q989-K1031 WeakPolarHBondContact O-CA 3.44Å
1032V90.4Very high75.7Confident0 Ų052.3 Ų52.30%031%0.31CS..EExtended strand (participates in β ladder)trans-128.5161-168.1-49.10000112.5W597 L984 T985 Q989 A994 P1029 V1034W597-V1032 HydrophobicContact CZ2-CB 4.32Å; W597-V1032 HydrophobicContact CZ2-CG1 3.79Å; L984-V1032 HydrophobicContact CD2-CG2 4.37Å; T985-V1032 CarbonylContact O-C 3.57Å; T985-V1032 WeakPolarHBondContact O-CA 3.48Å; Q989-V1032 VanDerWaalsContact CB-O 3.23Å; Q989-V1032 WeakPolarHBondContact CB-O 3.35Å; Q989-V1032 PolarHBondContact N-O 2.93Å; Q989-V1032 PolarHBondContact O-N 3.42Å; A994-V1032 HydrophobicContact CB-CG2 3.23Å; P1029-V1032 HydrophobicContact CG-CG1 4.09Å; P1029-V1032 WeakPolarHBondContact O-CG1 3.5Å; V1032-V1034 HydrophobicContact CG2-CG2 4.41Å
1033K89.7Confident74Confident122 Ų12255.9 Ų55.953%0.5331%0.313SS..EExtended strand (participates in β ladder)trans-120118.4167.5175.1-173173.9-171.20107.8T985T985-K1033 PolarHBondContact N-O 3.11Å; T985-K1033 VanDerWaalsContact N-O 3.11Å; T985-K1033 PolarHBondContact O-N 3.05Å; T985-K1033 PolarHBondContact OG1-O 3.41Å
1034V88.6Confident72Confident10 Ų1064.5 Ų64.56%0.06134%0.341CS..EExtended strand (participates in β ladder)trans-85.8125.4-179.9-174.40000109.3V982 L984 A994 A998 V1032 L1039V982-V1034 HydrophobicContact CG1-CG1 3.38Å; L984-V1034 HydrophobicContact CD2-CG2 4.12Å; A994-V1034 HydrophobicContact CB-CG2 3.4Å; A994-V1034 VanDerWaalsContact CB-CG2 3.4Å; A998-V1034 HydrophobicContact CB-CG1 4.36Å; V1032-V1034 HydrophobicContact CG2-CG2 4.41Å; V1034-L1039 HydrophobicContact CG1-CD1 3.84Å
1035S85.1Confident69.6Low41 Ų4176 Ų7629%0.28739%0.391SS..EExtended strand (participates in β ladder)trans-137.2121.3-179.3-45.90000110.7V982 K983V982-S1035 WeakPolarHBondContact CG1-O 3.47Å; K983-S1035 WeakPolarHBondContact CB-O 3.38Å; K983-S1035 PolarHBondContact N-O 3.01Å; K983-S1035 PolarHBondContact O-N 3.39Å
1036A76.1Confident68.8Low17 Ų1778.8 Ų78.814%0.1440%0.403CS..  trans-144.5155.4173.300000109.5V982 N1038 L1039V982-A1036 HydrophobicContact CB-CB 4.37Å; V982-A1036 HydrophobicContact CG1-CB 3.99Å; V982-A1036 HydrophobicContact CG2-CB 3.98Å; A1036-N1038 PolarHBondContact O-N 3.03Å; A1036-L1039 HydrophobicContact CB-CB 4.22Å; A1036-L1039 HydrophobicContact CB-CD1 4.25Å; A1036-L1039 VanDerWaalsContact O-CB 3.24Å; A1036-L1039 WeakPolarHBondContact O-CB 3.49Å; A1036-L1039 PolarHBondContact O-N 3.1Å
1037P58.6Low68Low115 Ų11578.2 Ų78.275%0.74741%0.406SS*.THydrogen-bonded Turntrans-52.5-55.4-173.8-27.134.8000112.5L1039P1037-L1039 PolarHBondContact O-N 3.22Å
1038N56.9Low67Low103 Ų10381.6 Ų81.655%0.55142%0.424SS*.Hα-helixtrans-69.2-7.1-177.1-62.8-24.5000114.5A1036 A1042A1036-N1038 PolarHBondContact O-N 3.03Å; N1038-A1042 WeakPolarHBondContact O-CB 3.35Å; N1038-A1042 PolarHBondContact O-N 3.11Å
1039L57.2Low65.7Low19 Ų1986 Ų8610%0.09945%0.447CS..Hα-helixtrans-84.8-17.2-173.1-144151.6000112.9T997 V1034 A1036 P1037T997-L1039 HydrophobicContact CG2-CD1 4.37Å; T997-L1039 HydrophobicContact CG2-CD2 4.34Å; V1034-L1039 HydrophobicContact CG1-CD1 3.84Å; A1036-L1039 HydrophobicContact CB-CB 4.22Å; A1036-L1039 HydrophobicContact CB-CD1 4.25Å; A1036-L1039 VanDerWaalsContact O-CB 3.24Å; A1036-L1039 WeakPolarHBondContact O-CB 3.49Å; A1036-L1039 PolarHBondContact O-N 3.1Å; P1037-L1039 PolarHBondContact O-N 3.22Å
1040L48.6Very low64.5Low128 Ų12891.1 Ų91.167%0.6747%0.473SS*.Hα-helixtrans-80.8-45.8171.7-69.9172.3000111.4A1042 K1043L1040-A1042 VanDerWaalsContact C-N 3.28Å; L1040-A1042 PolarHBondContact O-N 3.41Å; L1040-K1043 PolarHBondContact O-N 2.9Å; L1040-K1043 VanDerWaalsContact O-N 3.09Å
1041A46.5Very low63.2Low69 Ų6994.3 Ų94.357%0.5748%0.476SS*.Hα-helixtrans-56.5-42.9173.200000111.7K1043 R1044A1041-K1043 PolarHBondContact O-N 2.9Å; A1041-R1044 PolarHBondContact O-N 3.14Å; A1041-R1044 VanDerWaalsContact O-N 3.09Å
1042A45.4Very low61.4Low46 Ų4692.9 Ų92.938%0.3847%0.474SS..THydrogen-bonded Turntrans-7110.4177.400000115.8N1038 L1040N1038-A1042 WeakPolarHBondContact O-CB 3.35Å; N1038-A1042 PolarHBondContact O-N 3.11Å; L1040-A1042 VanDerWaalsContact C-N 3.28Å; L1040-A1042 PolarHBondContact O-N 3.41Å
1043K43.7Very low59.2Low143 Ų143100.1 Ų100.162%0.62251%0.511SS*.THydrogen-bonded Turntrans-116.5-9.3168.6-72.7178.6-179.3172.40114.1L1040 A1041 K1045L1040-K1043 PolarHBondContact O-N 2.9Å; L1040-K1043 VanDerWaalsContact O-N 3.09Å; A1041-K1043 PolarHBondContact O-N 2.9Å; K1043-K1045 VanDerWaalsContact C-N 3.31Å
1044R39.9Very low56.7Low240 Ų24098.3 Ų98.391%0.90651%0.509SS*.  trans-91.26.2173-77.9-177.2165.2179-5.6112.2A1041A1041-R1044 PolarHBondContact O-N 3.14Å; A1041-R1044 VanDerWaalsContact O-N 3.09Å
1045K33.4Very low53.8Low248 Ų248106.3 Ų106.3100%1.07855%0.55SS**  trans-135.90170.4-65-173.1179.3-176.10108.8K1043K1043-K1045 VanDerWaalsContact C-N 3.31Å

Retrieved 1,045 of 1,045 residues in 588.8 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).