A0A5K4F0T9_SCHMA Loading...

DNA 3'-5' helicase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F0T9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,419 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M60.1Low77.8Confident129 Ų12977.7 Ų77.764%0.63544%0.44SS*.  0140.20-71.9175165.700107.3F5 F30M1-F5 HydrophobicContact CB-CD1 3.9Å; M1-F5 HydrophobicContact CB-CG 4.39Å; M1-F5 HydrophobicContact CE-CD1 4.46Å; M1-F5 HydrophobicContact CE-CE1 3.73Å; M1-F5 HydrophobicContact CE-CZ 3.96Å; M1-F5 HydrophobicContact CG-CD1 3.99Å; M1-F5 HydrophobicContact CG-CE1 4.18Å; M1-F5 HydrophobicContact SD-CD1 3.6Å; M1-F5 HydrophobicContact SD-CE1 3.29Å; M1-F5 WeakPolarHBondContact SD-CE1 3.15Å; M1-F5 HydrophobicContact SD-CZ 4.12Å; M1-F30 HydrophobicContact CE-CB 4.43Å; M1-F30 HydrophobicContact CE-CD1 3.74Å; M1-F30 HydrophobicContact CE-CD2 3.35Å; M1-F30 HydrophobicContact CE-CE1 3.76Å; M1-F30 HydrophobicContact CE-CE2 3.39Å; M1-F30 HydrophobicContact CE-CG 3.54Å; M1-F30 HydrophobicContact CE-CZ 3.61Å
2S64.9Low78.8Confident65 Ų6571.3 Ų71.346%0.45540%0.403SS..  trans-67.4158.3176.9560000110.9S4 F5 L6S2-S4 PolarHBondContact O-N 3.39Å; S2-S4 PolarHBondContact OG-OG 3.23Å; S2-F5 WeakPolarHBondContact O-CB 3.22Å; S2-F5 PolarHBondContact O-N 3.36Å; S2-F5 WeakPolarHBondContact OG-CB 2.78Å; S2-F5 PolarHBondContact OG-N 3.26Å; S2-L6 PolarHBondContact O-N 3.32Å
3S69Low79.7Confident88 Ų8867.8 Ų67.862%0.61538%0.381SS*.Hα-helixtrans-57.1-41.3172.250.30000111.5F5 L6 E7S3-F5 VanDerWaalsContact C-N 3.26Å; S3-F5 PolarHBondContact O-N 2.97Å; S3-L6 PolarHBondContact O-N 2.99Å; S3-L6 VanDerWaalsContact O-N 3.11Å; S3-E7 WeakPolarHBondContact O-CG 3.5Å; S3-E7 PolarHBondContact O-N 2.77Å
4S76.2Confident80Confident70 Ų7070.9 Ų70.949%0.4940%0.397SS..Hα-helixtrans-57.9-34.4176.959.90000113.8S2 R8S2-S4 PolarHBondContact O-N 3.39Å; S2-S4 PolarHBondContact OG-OG 3.23Å; S4-R8 WeakPolarHBondContact O-CB 3.47Å; S4-R8 PolarHBondContact O-N 3.32Å
5F82.1Confident80.3Confident17 Ų1771.4 Ų71.48%0.07539%0.393CS..Hα-helixtrans-68.1-44.8177175.5-87.2000111M1 S2 S3 R8 F9 F30 V55 N59M1-F5 HydrophobicContact CB-CD1 3.9Å; M1-F5 HydrophobicContact CB-CG 4.39Å; M1-F5 HydrophobicContact CE-CD1 4.46Å; M1-F5 HydrophobicContact CE-CE1 3.73Å; M1-F5 HydrophobicContact CE-CZ 3.96Å; M1-F5 HydrophobicContact CG-CD1 3.99Å; M1-F5 HydrophobicContact CG-CE1 4.18Å; M1-F5 HydrophobicContact SD-CD1 3.6Å; M1-F5 HydrophobicContact SD-CE1 3.29Å; M1-F5 WeakPolarHBondContact SD-CE1 3.15Å; M1-F5 HydrophobicContact SD-CZ 4.12Å; S2-F5 WeakPolarHBondContact O-CB 3.22Å; S2-F5 PolarHBondContact O-N 3.36Å; S2-F5 WeakPolarHBondContact OG-CB 2.78Å; S2-F5 PolarHBondContact OG-N 3.26Å; S3-F5 VanDerWaalsContact C-N 3.26Å; S3-F5 PolarHBondContact O-N 2.97Å; F5-R8 PolarHBondContact O-N 3.41Å; F5-F9 AromaticContact CD2-CD2 3.79Å; F5-F9 HydrophobicContact CD2-CD2 3.79Å; F5-F9 HydrophobicContact CD2-CE2 4.13Å; F5-F9 AromaticContact CE2-CD2 3.71Å; F5-F9 HydrophobicContact CE2-CD2 3.71Å; F5-F9 HydrophobicContact CE2-CE2 4.12Å; F5-F9 HydrophobicContact CG-CD2 4.35Å; F5-F9 HydrophobicContact CZ-CD2 4.21Å; F5-F9 WeakPolarHBondContact O-CD2 2.96Å; F5-F9 PolarHBondContact O-N 3.39Å; F5-F30 HydrophobicContact CE1-CZ 4.42Å; F5-F30 AromaticContact CE2-CE1 3.57Å; F5-F30 HydrophobicContact CE2-CE1 3.57Å; F5-F30 AromaticContact CE2-CZ 3.93Å; F5-F30 HydrophobicContact CE2-CZ 3.93Å; F5-F30 AromaticContact CZ-CE1 3.52Å; F5-F30 HydrophobicContact CZ-CE1 3.52Å; F5-F30 HydrophobicContact CZ-CE2 4.48Å; F5-F30 AromaticContact CZ-CZ 3.44Å; F5-F30 HydrophobicContact CZ-CZ 3.44Å; F5-F30 VanDerWaalsContact CZ-CZ 3.44Å; F5-V55 HydrophobicContact CE1-CG1 4.45Å; F5-V55 HydrophobicContact CE2-CG1 3.63Å; F5-V55 HydrophobicContact CZ-CG1 3.38Å; F5-N59 HydrophobicContact CD2-CB 4.38Å; F5-N59 HydrophobicContact CE2-CB 4.24Å
6L78.2Confident80.6Confident95 Ų9577.8 Ų77.850%0.49743%0.426SS..Hα-helixtrans-65.1-44.9178.5-71.1168.3000110.7S2 S3 R8 F9 A10S2-L6 PolarHBondContact O-N 3.32Å; S3-L6 PolarHBondContact O-N 2.99Å; S3-L6 VanDerWaalsContact O-N 3.11Å; L6-R8 PolarHBondContact O-N 2.9Å; L6-F9 PolarHBondContact O-N 3.17Å; L6-A10 WeakPolarHBondContact O-CA 3.44Å; L6-A10 WeakPolarHBondContact O-CB 3.46Å; L6-A10 PolarHBondContact O-N 3.28Å
7E78.2Confident81Confident156 Ų15679.9 Ų79.973%0.72944%0.443SS*.Hα-helixtrans-56.6-40.1176.7-74169.3-16800112.2S3S3-E7 WeakPolarHBondContact O-CG 3.5Å; S3-E7 PolarHBondContact O-N 2.77Å
8R85.2Confident81.5Confident113 Ų11378.3 Ų78.343%0.42643%0.43SS..Hα-helixtrans-76.3-39-177.6-171.8170.8-177164.22.4114S4 F5 L6 A62 F96S4-R8 WeakPolarHBondContact O-CB 3.47Å; S4-R8 PolarHBondContact O-N 3.32Å; F5-R8 PolarHBondContact O-N 3.41Å; L6-R8 PolarHBondContact O-N 2.9Å; R8-A62 VanDerWaalsContact CZ-CB 3.46Å; R8-F96 HydrophobicContact CG-CE1 4.23Å
9F90Very high81.9Confident2 Ų275.8 Ų75.81%0.00942%0.417CS..Hα-helixtrans-118.2-7.6-167.4-61.5-71.1000115F5 L6 S11 V12 V55 L58 N59 F96F5-F9 AromaticContact CD2-CD2 3.79Å; F5-F9 HydrophobicContact CD2-CD2 3.79Å; F5-F9 HydrophobicContact CD2-CE2 4.13Å; F5-F9 AromaticContact CE2-CD2 3.71Å; F5-F9 HydrophobicContact CE2-CD2 3.71Å; F5-F9 HydrophobicContact CE2-CE2 4.12Å; F5-F9 HydrophobicContact CG-CD2 4.35Å; F5-F9 HydrophobicContact CZ-CD2 4.21Å; F5-F9 WeakPolarHBondContact O-CD2 2.96Å; F5-F9 PolarHBondContact O-N 3.39Å; L6-F9 PolarHBondContact O-N 3.17Å; F9-S11 PolarHBondContact O-N 2.68Å; F9-V12 HydrophobicContact CD1-CG2 4.48Å; F9-V12 VanDerWaalsContact O-CB 3.25Å; F9-V12 WeakPolarHBondContact O-CB 3.47Å; F9-V12 WeakPolarHBondContact O-CG2 3.48Å; F9-V12 PolarHBondContact O-N 2.83Å; F9-V55 HydrophobicContact CB-CG1 3.74Å; F9-V55 HydrophobicContact CB-CG2 4.39Å; F9-V55 HydrophobicContact CD1-CB 4.41Å; F9-V55 HydrophobicContact CD1-CG1 3.81Å; F9-V55 HydrophobicContact CD1-CG2 4.1Å; F9-V55 HydrophobicContact CD2-CG1 3.77Å; F9-V55 HydrophobicContact CE1-CG1 4.32Å; F9-V55 HydrophobicContact CE2-CG1 4.28Å; F9-V55 HydrophobicContact CG-CG1 3.5Å; F9-V55 HydrophobicContact CG-CG2 4.41Å; F9-L58 HydrophobicContact CE1-CB 3.95Å; F9-L58 HydrophobicContact CE1-CD1 4.29Å; F9-L58 HydrophobicContact CZ-CB 4Å; F9-N59 HydrophobicContact CE2-CB 3.77Å; F9-N59 HydrophobicContact CZ-CB 4.11Å; F9-F96 AromaticContact CD1-CE1 3.98Å; F9-F96 HydrophobicContact CD1-CE1 3.98Å; F9-F96 HydrophobicContact CD1-CE2 4.36Å; F9-F96 AromaticContact CD1-CZ 3.79Å; F9-F96 HydrophobicContact CD1-CZ 3.79Å; F9-F96 HydrophobicContact CE1-CD1 4.19Å; F9-F96 AromaticContact CE1-CE1 3.88Å; F9-F96 HydrophobicContact CE1-CE1 3.88Å; F9-F96 HydrophobicContact CE1-CZ 4.08Å
10A86Confident82.3Confident55 Ų5578.6 Ų78.646%0.45543%0.431SS..G310 helixtrans-57.3-38.5-179.700000112.4L6 V12 F13L6-A10 WeakPolarHBondContact O-CA 3.44Å; L6-A10 WeakPolarHBondContact O-CB 3.46Å; L6-A10 PolarHBondContact O-N 3.28Å; A10-V12 PolarHBondContact O-N 3.3Å; A10-F13 PolarHBondContact O-N 3.45Å; A10-F13 VanDerWaalsContact O-N 3.15Å
11S86.4Confident82.7Confident65 Ų6575 Ų7546%0.45541%0.411SS..G310 helixtrans-69.3-0.2178.658.70000114.6F9 R95F9-S11 PolarHBondContact O-N 2.68Å; S11-R95 PolarHBondContact O-NH2 3.33Å; S11-R95 VanDerWaalsContact OG-CZ 3.32Å; S11-R95 PolarHBondContact OG-NH1 3.02Å; S11-R95 PolarHBondContact OG-NH2 2.86Å
12V89.5Confident84.3Confident0 Ų069.4 Ų69.40%038%0.383CS..G310 helixtrans-76.5-28.6171.1175.20000110.9F9 A10 V55 K92 F93 F96F9-V12 HydrophobicContact CD1-CG2 4.48Å; F9-V12 VanDerWaalsContact O-CB 3.25Å; F9-V12 WeakPolarHBondContact O-CB 3.47Å; F9-V12 WeakPolarHBondContact O-CG2 3.48Å; F9-V12 PolarHBondContact O-N 2.83Å; A10-V12 PolarHBondContact O-N 3.3Å; V12-V55 HydrophobicContact CG1-CG2 4.3Å; V12-V55 HydrophobicContact CG2-CG2 4.43Å; V12-K92 HydrophobicContact CG1-CB 4.38Å; V12-K92 HydrophobicContact CG1-CD 4.22Å; V12-K92 WeakPolarHBondContact O-CD 3.35Å; V12-K92 WeakPolarHBondContact O-CE 3.44Å; V12-F93 HydrophobicContact CG1-CE1 3.85Å; V12-F93 HydrophobicContact CG1-CZ 3.95Å; V12-F93 HydrophobicContact CG2-CE1 4.46Å; V12-F96 HydrophobicContact CG2-CE2 3.75Å; V12-F96 HydrophobicContact CG2-CZ 3.94Å
13F90.4Very high85.6Confident26 Ų2669.4 Ų69.411%0.11438%0.378CS..  trans-106.7125.2-175.1-55.2-71.9000110.6A10 F15 F18 V48 E51 L52 V55A10-F13 PolarHBondContact O-N 3.45Å; A10-F13 VanDerWaalsContact O-N 3.15Å; F13-F15 HydrophobicContact CB-CE1 4.28Å; F13-F15 HydrophobicContact CB-CE2 4.2Å; F13-F15 HydrophobicContact CB-CZ 4.04Å; F13-F15 HydrophobicContact CD1-CE1 4.36Å; F13-F15 AromaticContact CD1-CZ 3.87Å; F13-F15 HydrophobicContact CD1-CZ 3.87Å; F13-F15 HydrophobicContact CG-CZ 4.26Å; F13-F15 PolarHBondContact O-N 3.29Å; F13-F18 HydrophobicContact CD1-CE1 4.03Å; F13-F18 HydrophobicContact CD1-CZ 4.4Å; F13-F18 HydrophobicContact CD2-CE1 4.42Å; F13-F18 AromaticContact CD2-CZ 3.99Å; F13-F18 HydrophobicContact CD2-CZ 3.99Å; F13-F18 HydrophobicContact CE1-CE1 4.08Å; F13-F18 HydrophobicContact CE1-CZ 4.37Å; F13-F18 HydrophobicContact CE2-CE1 4.46Å; F13-F18 AromaticContact CE2-CZ 3.96Å; F13-F18 HydrophobicContact CE2-CZ 3.96Å; F13-F18 HydrophobicContact CG-CE1 4.21Å; F13-F18 HydrophobicContact CG-CZ 4.22Å; F13-F18 HydrophobicContact CZ-CE1 4.3Å; F13-F18 HydrophobicContact CZ-CZ 4.15Å; F13-V48 HydrophobicContact CD1-CG1 4.32Å; F13-V48 HydrophobicContact CE1-CG1 3.94Å; F13-E51 HydrophobicContact CE1-CB 3.89Å; F13-E51 HydrophobicContact CZ-CB 4.4Å; F13-L52 HydrophobicContact CE2-CD2 4.38Å; F13-L52 HydrophobicContact CZ-CD2 3.8Å; F13-L52 HydrophobicContact CZ-CG 4.26Å; F13-V55 HydrophobicContact CE2-CG2 4.49Å; F13-V55 HydrophobicContact CZ-CG2 4.32Å
14D83.9Confident86.8Confident112 Ų11268.8 Ų68.860%0.59937%0.368SS*.SBendtrans-82.715.4-177.7-59.4-41.2000112.8R91D14-R91 IonicContact OD1-NH1 2.73Å; D14-R91 IonicContact OD1-NH2 2.72Å; D14-R91 IonicContact OD2-CZ 2.71Å; D14-R91 IonicContact OD2-NH1 2.91Å; D14-R91 IonicContact OD2-NH2 3.33Å; D14-R91 PolarHBondContact OD2-NH2 2.91Å
15F84.9Confident87.6Confident78 Ų7865.5 Ų65.534%0.34234%0.344SS..SBendtrans-138.4152.2-177.853.3-99.3000111.6F13 T17 F18 V48F13-F15 HydrophobicContact CB-CE1 4.28Å; F13-F15 HydrophobicContact CB-CE2 4.2Å; F13-F15 HydrophobicContact CB-CZ 4.04Å; F13-F15 HydrophobicContact CD1-CE1 4.36Å; F13-F15 AromaticContact CD1-CZ 3.87Å; F13-F15 HydrophobicContact CD1-CZ 3.87Å; F13-F15 HydrophobicContact CG-CZ 4.26Å; F13-F15 PolarHBondContact O-N 3.29Å; F15-T17 VanDerWaalsContact CD2-O 3.32Å; F15-T17 WeakPolarHBondContact CD2-O 3.43Å; F15-F18 AromaticContact CE2-CD1 3.42Å; F15-F18 HydrophobicContact CE2-CD1 3.42Å; F15-F18 VanDerWaalsContact CE2-CD1 3.42Å; F15-F18 AromaticContact CE2-CE1 3.55Å; F15-F18 HydrophobicContact CE2-CE1 3.55Å; F15-F18 HydrophobicContact CE2-CG 4.2Å; F15-F18 HydrophobicContact CE2-CZ 4.43Å; F15-F18 AromaticContact CZ-CD1 3.83Å; F15-F18 HydrophobicContact CZ-CD1 3.83Å; F15-F18 AromaticContact CZ-CE1 3.76Å; F15-F18 HydrophobicContact CZ-CE1 3.76Å; F15-V48 HydrophobicContact CE1-CG2 4Å; F15-V48 HydrophobicContact CZ-CG1 4.09Å; F15-V48 HydrophobicContact CZ-CG2 3.9Å
16N84.5Confident88.2Confident173 Ų17365.3 Ų65.393%0.92535%0.345SS*.SBendtrans-82.5-22.7-172.9-63.8-22.5000114
17T87.9Confident88.9Confident115 Ų11568.6 Ų68.671%0.70635%0.351SS*.SBendtrans-141.6133.7-175.6560000111.2F15F15-T17 VanDerWaalsContact CD2-O 3.32Å; F15-T17 WeakPolarHBondContact CD2-O 3.43Å
18F90Very high89.7Confident50 Ų5063 Ų6322%0.21933%0.325CS..  trans-68.2148.4168.6-65.5-66.3000111F13 F15 Q22 N23 V48 L52F13-F18 HydrophobicContact CD1-CE1 4.03Å; F13-F18 HydrophobicContact CD1-CZ 4.4Å; F13-F18 HydrophobicContact CD2-CE1 4.42Å; F13-F18 AromaticContact CD2-CZ 3.99Å; F13-F18 HydrophobicContact CD2-CZ 3.99Å; F13-F18 HydrophobicContact CE1-CE1 4.08Å; F13-F18 HydrophobicContact CE1-CZ 4.37Å; F13-F18 HydrophobicContact CE2-CE1 4.46Å; F13-F18 AromaticContact CE2-CZ 3.96Å; F13-F18 HydrophobicContact CE2-CZ 3.96Å; F13-F18 HydrophobicContact CG-CE1 4.21Å; F13-F18 HydrophobicContact CG-CZ 4.22Å; F13-F18 HydrophobicContact CZ-CE1 4.3Å; F13-F18 HydrophobicContact CZ-CZ 4.15Å; F15-F18 AromaticContact CE2-CD1 3.42Å; F15-F18 HydrophobicContact CE2-CD1 3.42Å; F15-F18 VanDerWaalsContact CE2-CD1 3.42Å; F15-F18 AromaticContact CE2-CE1 3.55Å; F15-F18 HydrophobicContact CE2-CE1 3.55Å; F15-F18 HydrophobicContact CE2-CG 4.2Å; F15-F18 HydrophobicContact CE2-CZ 4.43Å; F15-F18 AromaticContact CZ-CD1 3.83Å; F15-F18 HydrophobicContact CZ-CD1 3.83Å; F15-F18 AromaticContact CZ-CE1 3.76Å; F15-F18 HydrophobicContact CZ-CE1 3.76Å; F18-Q22 HydrophobicContact CB-CB 3.74Å; F18-Q22 HydrophobicContact CD1-CB 4.01Å; F18-Q22 HydrophobicContact CG-CB 4.21Å; F18-N23 WeakPolarHBondContact CB-OD1 3.46Å; F18-N23 PolarHBondContact O-ND2 3.2Å; F18-V48 HydrophobicContact CD1-CG1 3.87Å; F18-V48 HydrophobicContact CE1-CG1 3.64Å; F18-L52 HydrophobicContact CE1-CD2 4.11Å; F18-L52 HydrophobicContact CE2-CD2 4.47Å; F18-L52 HydrophobicContact CZ-CD2 3.8Å
19N89.4Confident90.1Very high32 Ų3257.7 Ų57.717%0.17131%0.305CS..  trans-72.4173.6170.87043.8000111.8I21 Q22 N23 S44N19-I21 VanDerWaalsContact C-N 3.34Å; N19-I21 PolarHBondContact O-N 2.76Å; N19-I21 PolarHBondContact OD1-N 3.04Å; N19-I21 VanDerWaalsContact OD1-N 3.14Å; N19-Q22 VanDerWaalsContact CG-CD 3.47Å; N19-Q22 PolarHBondContact ND2-NE2 3.22Å; N19-Q22 PolarHBondContact ND2-OE1 3.05Å; N19-Q22 PolarHBondContact O-N 3.21Å; N19-Q22 WeakPolarHBondContact OD1-CB 3.42Å; N19-Q22 WeakPolarHBondContact OD1-CG 3.3Å; N19-Q22 PolarHBondContact OD1-N 3.47Å; N19-N23 WeakPolarHBondContact O-CB 3.23Å; N19-N23 PolarHBondContact O-N 3.43Å; N19-N23 PolarHBondContact O-ND2 3.15Å; N19-S44 PolarHBondContact ND2-O 3.38Å
20N89.7Confident90.3Very high131 Ų13160.1 Ų60.170%0.70132%0.316SS*.Hα-helixtrans-57.6-43.8-175.1-67.9-13.5000113.1L24N20-L24 PolarHBondContact O-N 3.17Å; N20-L24 VanDerWaalsContact O-N 3.14Å
21I91.3Very high90.6Very high3 Ų365.4 Ų65.42%0.01533%0.328CS..Hα-helixtrans-62.7-51177.6-70.1167000110N19 N23 L24 I25 A40 F209 F213N19-I21 VanDerWaalsContact C-N 3.34Å; N19-I21 PolarHBondContact O-N 2.76Å; N19-I21 PolarHBondContact OD1-N 3.04Å; N19-I21 VanDerWaalsContact OD1-N 3.14Å; I21-N23 VanDerWaalsContact C-N 3.34Å; I21-N23 PolarHBondContact O-N 3.25Å; I21-L24 PolarHBondContact O-N 2.7Å; I21-I25 HydrophobicContact CG2-CD1 3.42Å; I21-I25 VanDerWaalsContact CG2-CD1 3.42Å; I21-I25 HydrophobicContact CG2-CG1 4.37Å; I21-I25 WeakPolarHBondContact O-CG1 3.46Å; I21-I25 PolarHBondContact O-N 2.99Å; I21-A40 HydrophobicContact CD1-CB 4.08Å; I21-F209 HydrophobicContact CD1-CB 4.1Å; I21-F209 HydrophobicContact CD1-CD2 4.32Å; I21-F209 HydrophobicContact CD1-CG 4.07Å; I21-F209 HydrophobicContact CG1-CB 4.4Å; I21-F209 HydrophobicContact CG1-CD1 3.89Å; I21-F209 HydrophobicContact CG1-CD2 4.1Å; I21-F209 HydrophobicContact CG1-CE1 4.14Å; I21-F209 HydrophobicContact CG1-CE2 4.34Å; I21-F209 HydrophobicContact CG1-CG 3.87Å; I21-F209 HydrophobicContact CG1-CZ 4.35Å; I21-F209 HydrophobicContact CG2-CD2 3.99Å; I21-F209 HydrophobicContact CG2-CE2 3.72Å; I21-F209 HydrophobicContact CG2-CZ 4.1Å; I21-F213 HydrophobicContact CD1-CB 3.56Å; I21-F213 HydrophobicContact CD1-CG 4.43Å; I21-F213 HydrophobicContact CG1-CB 3.97Å; I21-F213 HydrophobicContact CG1-CD1 4.27Å; I21-F213 HydrophobicContact CG1-CG 4.37Å
22Q93.3Very high90.9Very high11 Ų1163.8 Ų63.85%0.05132%0.316CS..Hα-helixtrans-61.2-40.4-179.2-70.8166.4-10.100111.9F18 N19 C26 G45 V48F18-Q22 HydrophobicContact CB-CB 3.74Å; F18-Q22 HydrophobicContact CD1-CB 4.01Å; F18-Q22 HydrophobicContact CG-CB 4.21Å; N19-Q22 VanDerWaalsContact CG-CD 3.47Å; N19-Q22 PolarHBondContact ND2-NE2 3.22Å; N19-Q22 PolarHBondContact ND2-OE1 3.05Å; N19-Q22 PolarHBondContact O-N 3.21Å; N19-Q22 WeakPolarHBondContact OD1-CB 3.42Å; N19-Q22 WeakPolarHBondContact OD1-CG 3.3Å; N19-Q22 PolarHBondContact OD1-N 3.47Å; Q22-C26 WeakPolarHBondContact O-CB 3.48Å; Q22-C26 PolarHBondContact O-N 3.47Å; Q22-G45 PolarHBondContact NE2-O 3.38Å; Q22-V48 HydrophobicContact CG-CB 4.23Å; Q22-V48 HydrophobicContact CG-CG1 4.15Å
23N92.5Very high91Very high65 Ų6568.8 Ų68.835%0.34834%0.343SS..Hα-helixtrans-62.5-43.5175.9-85.8-43.3000112.5F18 N19 I21 R27F18-N23 WeakPolarHBondContact CB-OD1 3.46Å; F18-N23 PolarHBondContact O-ND2 3.2Å; N19-N23 WeakPolarHBondContact O-CB 3.23Å; N19-N23 PolarHBondContact O-N 3.43Å; N19-N23 PolarHBondContact O-ND2 3.15Å; I21-N23 VanDerWaalsContact C-N 3.34Å; I21-N23 PolarHBondContact O-N 3.25Å; N23-R27 WeakPolarHBondContact O-CG 3.42Å; N23-R27 PolarHBondContact O-N 2.86Å
24L92.8Very high91.2Very high76 Ų7672 Ų7240%0.39836%0.356SS..Hα-helixtrans-65-48.7178.8-17564.6000110.8N20 I21 R27 E28 F207 F209N20-L24 PolarHBondContact O-N 3.17Å; N20-L24 VanDerWaalsContact O-N 3.14Å; I21-L24 PolarHBondContact O-N 2.7Å; L24-R27 WeakPolarHBondContact O-CB 3.36Å; L24-R27 PolarHBondContact O-N 3.2Å; L24-E28 PolarHBondContact O-N 3.04Å; L24-F207 HydrophobicContact CD2-CD1 4.05Å; L24-F207 HydrophobicContact CD2-CE1 3.99Å; L24-F207 HydrophobicContact CG-CE1 4.15Å; L24-F209 HydrophobicContact CD2-CE1 3.88Å; L24-F209 HydrophobicContact CD2-CZ 3.9Å
25I94.5Very high91.8Very high0 Ų067.2 Ų67.20%033%0.332CS..Hα-helixtrans-68.6-37.2-178.6-66.1167.7000111.9I21 R27 E28 I29 L36 V38 I49 F209I21-I25 HydrophobicContact CG2-CD1 3.42Å; I21-I25 VanDerWaalsContact CG2-CD1 3.42Å; I21-I25 HydrophobicContact CG2-CG1 4.37Å; I21-I25 WeakPolarHBondContact O-CG1 3.46Å; I21-I25 PolarHBondContact O-N 2.99Å; I25-R27 VanDerWaalsContact C-N 3.25Å; I25-R27 PolarHBondContact O-N 3.2Å; I25-E28 WeakPolarHBondContact O-CB 3.28Å; I25-E28 PolarHBondContact O-N 3.41Å; I25-I29 HydrophobicContact CG2-CD1 3.69Å; I25-I29 HydrophobicContact CG2-CG1 3.99Å; I25-I29 WeakPolarHBondContact O-CG1 3.22Å; I25-I29 PolarHBondContact O-N 2.67Å; I25-L36 HydrophobicContact CG2-CD2 3.56Å; I25-V38 HydrophobicContact CD1-CB 4.35Å; I25-V38 HydrophobicContact CD1-CG1 3.59Å; I25-V38 HydrophobicContact CD1-CG2 3.83Å; I25-V38 HydrophobicContact CG1-CG2 4.43Å; I25-I49 HydrophobicContact CD1-CD1 3.48Å; I25-I49 VanDerWaalsContact CD1-CD1 3.48Å; I25-I49 HydrophobicContact CD1-CG1 3.89Å; I25-I49 HydrophobicContact CG2-CG1 4.13Å; I25-I49 HydrophobicContact CG2-CG2 3.81Å; I25-F209 HydrophobicContact CD1-CE2 3.97Å; I25-F209 HydrophobicContact CD1-CZ 4.44Å; I25-F209 HydrophobicContact CG1-CE2 4.37Å; I25-F209 HydrophobicContact CG1-CZ 4.43Å
26C94Very high92.3Very high13 Ų1363.6 Ų63.69%0.08832%0.316CS..Hα-helixtrans-54.9-44.1175.2178.40000110.9Q22 E28 I29 F30 L52Q22-C26 WeakPolarHBondContact O-CB 3.48Å; Q22-C26 PolarHBondContact O-N 3.47Å; C26-E28 VanDerWaalsContact C-N 3.3Å; C26-E28 PolarHBondContact O-N 3.37Å; C26-I29 PolarHBondContact O-N 3.15Å; C26-F30 VanDerWaalsContact O-CD2 3.31Å; C26-F30 WeakPolarHBondContact O-CD2 3.38Å; C26-F30 PolarHBondContact O-N 3.31Å; C26-F30 VanDerWaalsContact O-N 3.09Å; C26-L52 HydrophobicContact CB-CD1 3.81Å; C26-L52 HydrophobicContact CB-CD2 4.46Å
27R93.1Very high92.9Very high164 Ų16455.3 Ų55.362%0.61927%0.272SS*.Hα-helixtrans-59.7-42.4176.4-67.3171.7-176.9174.61.8111.7N23 L24 I25 K31N23-R27 WeakPolarHBondContact O-CG 3.42Å; N23-R27 PolarHBondContact O-N 2.86Å; L24-R27 WeakPolarHBondContact O-CB 3.36Å; L24-R27 PolarHBondContact O-N 3.2Å; I25-R27 VanDerWaalsContact C-N 3.25Å; I25-R27 PolarHBondContact O-N 3.2Å; R27-K31 WeakPolarHBondContact O-CB 3.2Å; R27-K31 WeakPolarHBondContact O-CD 3.32Å; R27-K31 WeakPolarHBondContact O-CG 3.36Å; R27-K31 PolarHBondContact O-N 3.22Å
28E93.7Very high93.2Very high40 Ų4049.9 Ų49.919%0.18724%0.238CC..Hα-helixtrans-67-49178.6-172.456.9-14700111.8L24 I25 C26 F30 K31 T32 L36 F207L24-E28 PolarHBondContact O-N 3.04Å; I25-E28 WeakPolarHBondContact O-CB 3.28Å; I25-E28 PolarHBondContact O-N 3.41Å; C26-E28 VanDerWaalsContact C-N 3.3Å; C26-E28 PolarHBondContact O-N 3.37Å; E28-F30 VanDerWaalsContact C-N 3.27Å; E28-F30 PolarHBondContact O-N 2.97Å; E28-K31 PolarHBondContact O-N 3.15Å; E28-T32 PolarHBondContact O-N 3.41Å; E28-T32 PolarHBondContact O-OG1 2.91Å; E28-T32 WeakPolarHBondContact OE1-CB 3.34Å; E28-T32 WeakPolarHBondContact OE1-CG2 3.41Å; E28-T32 PolarHBondContact OE1-OG1 3.3Å; E28-L36 HydrophobicContact CG-CD1 4.43Å; E28-F207 HydrophobicContact CB-CE2 4.3Å; E28-F207 HydrophobicContact CB-CZ 4.2Å; E28-F207 HydrophobicContact CG-CE2 4.05Å; E28-F207 HydrophobicContact CG-CZ 4.18Å
29I94.9Very high93.3Very high0 Ų047.5 Ų47.50%023%0.228CC..Hα-helixtrans-54.8-44.7-179.7-72.9176.3000111.3I25 C26 L36 I49 L52 A53 K56 R179I25-I29 HydrophobicContact CG2-CD1 3.69Å; I25-I29 HydrophobicContact CG2-CG1 3.99Å; I25-I29 WeakPolarHBondContact O-CG1 3.22Å; I25-I29 PolarHBondContact O-N 2.67Å; C26-I29 PolarHBondContact O-N 3.15Å; I29-L36 HydrophobicContact CD1-CD2 4.22Å; I29-L36 HydrophobicContact CG1-CD2 3.94Å; I29-I49 HydrophobicContact CD1-CG2 3.91Å; I29-I49 WeakPolarHBondContact CD1-O 3.28Å; I29-L52 HydrophobicContact CD1-CB 3.92Å; I29-A53 HydrophobicContact CG2-CB 4.42Å; I29-K56 HydrophobicContact CG2-CB 4.4Å; I29-K56 HydrophobicContact CG2-CD 4.06Å; I29-K56 WeakPolarHBondContact O-CD 3.4Å; I29-K56 WeakPolarHBondContact O-CE 3.46Å; I29-K56 PolarHBondContact O-NZ 3.13Å; I29-R179 PolarHBondContact O-NH1 2.78Å; I29-R179 PolarHBondContact O-NH2 3.2Å
30F93.4Very high93.4Very high54 Ų5446 Ų4624%0.23722%0.22CC..Hα-helixtrans-80.5-29.9-177.7-79.1-86.3000113.5M1 F5 C26 E28 L52 V55 K56M1-F30 HydrophobicContact CE-CB 4.43Å; M1-F30 HydrophobicContact CE-CD1 3.74Å; M1-F30 HydrophobicContact CE-CD2 3.35Å; M1-F30 HydrophobicContact CE-CE1 3.76Å; M1-F30 HydrophobicContact CE-CE2 3.39Å; M1-F30 HydrophobicContact CE-CG 3.54Å; M1-F30 HydrophobicContact CE-CZ 3.61Å; F5-F30 HydrophobicContact CE1-CZ 4.42Å; F5-F30 AromaticContact CE2-CE1 3.57Å; F5-F30 HydrophobicContact CE2-CE1 3.57Å; F5-F30 AromaticContact CE2-CZ 3.93Å; F5-F30 HydrophobicContact CE2-CZ 3.93Å; F5-F30 AromaticContact CZ-CE1 3.52Å; F5-F30 HydrophobicContact CZ-CE1 3.52Å; F5-F30 HydrophobicContact CZ-CE2 4.48Å; F5-F30 AromaticContact CZ-CZ 3.44Å; F5-F30 HydrophobicContact CZ-CZ 3.44Å; F5-F30 VanDerWaalsContact CZ-CZ 3.44Å; C26-F30 VanDerWaalsContact O-CD2 3.31Å; C26-F30 WeakPolarHBondContact O-CD2 3.38Å; C26-F30 PolarHBondContact O-N 3.31Å; C26-F30 VanDerWaalsContact O-N 3.09Å; E28-F30 VanDerWaalsContact C-N 3.27Å; E28-F30 PolarHBondContact O-N 2.97Å; F30-L52 HydrophobicContact CE2-CB 4.37Å; F30-L52 HydrophobicContact CE2-CD2 4.07Å; F30-V55 HydrophobicContact CZ-CG1 4.26Å; F30-K56 HydrophobicContact CD1-CB 4.41Å; F30-K56 HydrophobicContact CD1-CD 4.49Å; F30-K56 HydrophobicContact CE1-CB 3.88Å; F30-K56 HydrophobicContact CE1-CG 4.4Å; F30-K56 HydrophobicContact CZ-CB 4.05Å
31K92.3Very high93.2Very high165 Ų16540 Ų4072%0.71719%0.188SC*.Hα-helixtrans-76.9-37.6177.7-77.1177.6178-169.70113.5R27 E28R27-K31 WeakPolarHBondContact O-CB 3.2Å; R27-K31 WeakPolarHBondContact O-CD 3.32Å; R27-K31 WeakPolarHBondContact O-CG 3.36Å; R27-K31 PolarHBondContact O-N 3.22Å; E28-K31 PolarHBondContact O-N 3.15Å
32T92.6Very high92.7Very high32 Ų3240 Ų4020%0.19619%0.188CC..  trans-123.2157.2-17276.90000111.6E28 K56 R179E28-T32 PolarHBondContact O-N 3.41Å; E28-T32 PolarHBondContact O-OG1 2.91Å; E28-T32 WeakPolarHBondContact OE1-CB 3.34Å; E28-T32 WeakPolarHBondContact OE1-CG2 3.41Å; E28-T32 PolarHBondContact OE1-OG1 3.3Å; T32-K56 PolarHBondContact O-NZ 3.06Å; T32-R179 VanDerWaalsContact O-CZ 3.28Å; T32-R179 PolarHBondContact O-NH1 2.96Å; T32-R179 PolarHBondContact O-NH2 2.92Å
33N91.6Very high92Very high105 Ų10540.2 Ų40.256%0.56119%0.193SC*.  trans-100.710.7168.3-75.7-17.2000112.2K56 R179N33-K56 WeakPolarHBondContact OD1-CE 3.34Å; N33-K56 PolarHBondContact OD1-NZ 3.32Å; N33-R179 WeakPolarHBondContact O-CD 3.38Å; N33-R179 PolarHBondContact O-NE 3.42Å
34K94.6Very high91.5Very high92 Ų9237.1 Ų37.140%0.418%0.177SC..SBendtrans-62.9147.9176.2-65.7-175.2178.9-160.20109.9R179 G202 S203 T205K34-R179 PolarHBondContact O-NE 3.1Å; K34-R179 PolarHBondContact O-NH2 2.84Å; K34-G202 WeakPolarHBondContact CD-O 3.47Å; K34-G202 VanDerWaalsContact CE-O 3.28Å; K34-G202 WeakPolarHBondContact CE-O 3.41Å; K34-G202 PolarHBondContact NZ-O 3.42Å; K34-S203 WeakPolarHBondContact CA-O 3.45Å; K34-S203 WeakPolarHBondContact CB-O 3.38Å; K34-T205 HydrophobicContact CB-CG2 4.24Å; K34-T205 HydrophobicContact CD-CG2 3.75Å
35S96.5Very high91Very high13 Ų1334.9 Ų34.99%0.09117%0.172CC..EExtended strand (participates in β ladder)trans-63.6156.3167.8-63.10000109.4F180 S203 V204 T205S35-F180 CarbonylContact C-O 3.6Å; S35-F180 WeakPolarHBondContact CA-O 3.13Å; S35-F180 VanDerWaalsContact CB-O 3.24Å; S35-F180 WeakPolarHBondContact CB-O 3.33Å; S35-F180 PolarHBondContact OG-N 3.27Å; S35-S203 PolarHBondContact N-O 3.1Å; S35-V204 CarbonylContact O-C 3.51Å; S35-V204 WeakPolarHBondContact O-CA 3.34Å; S35-T205 PolarHBondContact O-N 2.87Å; S35-T205 PolarHBondContact O-OG1 2.96Å
36L96.4Very high90.8Very high1 Ų135.8 Ų35.81%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-135.4130.5-170.1178.668.7000110.5I25 E28 I29 V38 I49 F180 I181 C182 T205 F207I25-L36 HydrophobicContact CG2-CD2 3.56Å; E28-L36 HydrophobicContact CG-CD1 4.43Å; I29-L36 HydrophobicContact CD1-CD2 4.22Å; I29-L36 HydrophobicContact CG1-CD2 3.94Å; L36-V38 HydrophobicContact CD1-CG2 4.11Å; L36-V38 HydrophobicContact CD2-CG2 3.8Å; L36-V38 HydrophobicContact CG-CG2 3.72Å; L36-I49 HydrophobicContact CD2-CG2 4.05Å; L36-F180 PolarHBondContact N-O 3.44Å; L36-I181 HydrophobicContact CB-CG1 4.43Å; L36-I181 HydrophobicContact CB-CG2 4.45Å; L36-I181 HydrophobicContact CD2-CG2 4.34Å; L36-I181 CarbonylContact O-C 3.6Å; L36-I181 WeakPolarHBondContact O-CA 3.32Å; L36-C182 PolarHBondContact O-N 2.9Å; L36-T205 CarbonylContact C-O 3.48Å; L36-T205 WeakPolarHBondContact CA-O 3.39Å; L36-T205 WeakPolarHBondContact CD1-OG1 3.49Å; L36-F207 HydrophobicContact CD1-CD2 3.53Å; L36-F207 HydrophobicContact CD1-CE2 3.47Å; L36-F207 VanDerWaalsContact CD1-CE2 3.47Å
37V96Very high90.6Very high0 Ų037.6 Ų37.60%019%0.186CC..EExtended strand (participates in β ladder)trans-118.8122.5172.2-172.10000109.7C182 V190 I193 A194 L197 V204 T205 F206 F207V37-C182 CarbonylContact C-O 3.56Å; V37-C182 HydrophobicContact CG1-CB 4.22Å; V37-C182 HydrophobicContact CG2-CB 4.33Å; V37-V190 HydrophobicContact CB-CG1 4.11Å; V37-V190 HydrophobicContact CG1-CG1 3.58Å; V37-I193 HydrophobicContact CG1-CB 4.16Å; V37-I193 HydrophobicContact CG1-CG2 3.78Å; V37-I193 HydrophobicContact CG2-CG2 4.08Å; V37-A194 HydrophobicContact CG2-CB 4.28Å; V37-L197 HydrophobicContact CG2-CD1 3.8Å; V37-V204 HydrophobicContact CG2-CG1 3.86Å; V37-T205 PolarHBondContact N-O 3.34Å; V37-F206 HydrophobicContact CB-CB 4.19Å; V37-F206 CarbonylContact O-C 3.45Å; V37-F206 WeakPolarHBondContact O-CA 3.26Å; V37-F207 PolarHBondContact O-N 3Å
38V94.7Very high90.6Very high0 Ų030.3 Ų30.30%016%0.16CC..EExtended strand (participates in β ladder)trans-122.4116.9-175.9-175.50000110.2I25 L36 A40 I49 C182 A183 S184 F209I25-V38 HydrophobicContact CD1-CB 4.35Å; I25-V38 HydrophobicContact CD1-CG1 3.59Å; I25-V38 HydrophobicContact CD1-CG2 3.83Å; I25-V38 HydrophobicContact CG1-CG2 4.43Å; L36-V38 HydrophobicContact CD1-CG2 4.11Å; L36-V38 HydrophobicContact CD2-CG2 3.8Å; L36-V38 HydrophobicContact CG-CG2 3.72Å; V38-A40 HydrophobicContact CG1-CB 4.32Å; V38-I49 HydrophobicContact CB-CD1 4.14Å; V38-I49 HydrophobicContact CG1-CD1 3.82Å; V38-I49 HydrophobicContact CG2-CD1 4.17Å; V38-C182 PolarHBondContact N-O 2.86Å; V38-A183 CarbonylContact O-C 3.54Å; V38-A183 WeakPolarHBondContact O-CA 3.43Å; V38-S184 PolarHBondContact O-N 2.88Å; V38-F209 HydrophobicContact CG1-CD2 4.19Å; V38-F209 HydrophobicContact CG1-CE2 3.99Å
39S92.9Very high90.6Very high1 Ų128.5 Ų28.51%0.00715%0.152CC..EExtended strand (participates in β ladder)trans-98.5119.9163.8-167.60000110.2S184 S186 L187 F207 F209S39-S184 WeakPolarHBondContact CA-O 3.44Å; S39-S186 PolarHBondContact OG-N 3.4Å; S39-L187 WeakPolarHBondContact OG-CB 3.48Å; S39-L187 PolarHBondContact OG-N 3.37Å; S39-F207 PolarHBondContact N-O 3.21Å; S39-F209 WeakPolarHBondContact O-CD2 3.25Å; S39-F209 PolarHBondContact O-N 2.86Å
40A90Very high90.7Very high0 Ų028.5 Ų28.50%015%0.152CC..  trans-147.1148.8176.900000111.3I21 V38 S44 K46 S184 A185 F209I21-A40 HydrophobicContact CD1-CB 4.08Å; V38-A40 HydrophobicContact CG1-CB 4.32Å; A40-S44 WeakPolarHBondContact CB-OG 3.12Å; A40-K46 HydrophobicContact CB-CD 4.13Å; A40-K46 HydrophobicContact CB-CG 4.16Å; A40-K46 PolarHBondContact O-NZ 3Å; A40-S184 PolarHBondContact N-O 2.59Å; A40-A185 WeakPolarHBondContact O-CA 3.32Å; A40-F209 HydrophobicContact CB-CB 4.32Å; A40-F209 HydrophobicContact CB-CD2 4.07Å
41P85.6Confident90.8Very high4 Ų426 Ų263%0.02614%0.141CC..  trans-55.8156.1-178.2-23.632.5000113.2G43 S44 F209 G210 R214P41-G43 PolarHBondContact O-N 3.42Å; P41-S44 WeakPolarHBondContact O-CB 3.46Å; P41-S44 PolarHBondContact O-N 2.8Å; P41-S44 PolarHBondContact O-OG 3.31Å; P41-F209 WeakPolarHBondContact CD-O 3.39Å; P41-G210 WeakPolarHBondContact CG-O 3.48Å; P41-R214 HydrophobicContact CB-CB 4.36Å
42T81.9Confident91Very high4 Ų418.3 Ų18.33%0.02511%0.108CC..THydrogen-bonded Turntrans-57.4136.5171.449.90000110.3A185 R214 S376 G380T42-A185 HydrophobicContact CG2-CB 3.8Å; T42-R214 VanDerWaalsContact O-CZ 3.27Å; T42-R214 PolarHBondContact O-NH1 2.6Å; T42-R214 PolarHBondContact OG1-NH1 3.22Å; T42-S376 PolarHBondContact OG1-O 3.17Å; T42-G380 WeakPolarHBondContact OG1-CA 3.47Å
43G77.1Confident91.1Very high15 Ų1516.9 Ų16.916%0.15510%0.099CC..THydrogen-bonded Turntrans85.2-2.2-178.100000116.2P41 G45P41-G43 PolarHBondContact O-N 3.42Å; G43-G45 PolarHBondContact O-N 3.18Å
44S83.3Confident91.3Very high1 Ų111.9 Ų11.91%0.0077%0.072CC..SBendtrans-70.7-2.7173.856.10000115N19 A40 P41 K46N19-S44 PolarHBondContact ND2-O 3.38Å; A40-S44 WeakPolarHBondContact CB-OG 3.12Å; P41-S44 WeakPolarHBondContact O-CB 3.46Å; P41-S44 PolarHBondContact O-N 2.8Å; P41-S44 PolarHBondContact O-OG 3.31Å; S44-K46 WeakPolarHBondContact OG-CG 3.38Å
45G82.5Confident91.3Very high28 Ų287.5 Ų7.529%0.2895%0.053SC..  trans77.436.7179.900000114.1Q22 G43 T47 V48Q22-G45 PolarHBondContact NE2-O 3.38Å; G43-G45 PolarHBondContact O-N 3.18Å; G45-T47 PolarHBondContact O-N 3.12Å; G45-V48 WeakPolarHBondContact O-CB 3.3Å; G45-V48 PolarHBondContact O-N 3.39Å
46K89Confident91.2Very high20 Ų207.5 Ų7.59%0.0875%0.052CC..THydrogen-bonded Turntrans-53.4-33.9179.9-60.7-166.3-62.4-90.90113.9A40 S44 V48 I49 A183A40-K46 HydrophobicContact CB-CD 4.13Å; A40-K46 HydrophobicContact CB-CG 4.16Å; A40-K46 PolarHBondContact O-NZ 3Å; S44-K46 WeakPolarHBondContact OG-CG 3.38Å; K46-V48 PolarHBondContact O-N 3.37Å; K46-V48 VanDerWaalsContact O-N 3.15Å; K46-I49 HydrophobicContact CB-CD1 4.32Å; K46-I49 WeakPolarHBondContact O-CB 3.46Å; K46-I49 VanDerWaalsContact O-CG1 3.31Å; K46-I49 WeakPolarHBondContact O-CG1 3.45Å; K46-I49 PolarHBondContact O-N 2.95Å; K46-A183 HydrophobicContact CB-CB 4.19Å; K46-A183 HydrophobicContact CD-CB 4.14Å
47T90.2Very high91.1Very high50 Ų508.8 Ų8.831%0.3076%0.058SC..Hα-helixtrans-55.3-34.5-179.9-48.10000113.1G45 I49 F50 E51 W89G45-T47 PolarHBondContact O-N 3.12Å; T47-I49 PolarHBondContact O-N 3.22Å; T47-F50 WeakPolarHBondContact O-CB 3.28Å; T47-F50 PolarHBondContact O-N 2.86Å; T47-F50 VanDerWaalsContact O-N 3.11Å; T47-E51 PolarHBondContact O-N 3.12Å; T47-W89 HydrophobicContact CG2-CZ2 4.46Å
48V92.8Very high91Very high12 Ų129 Ų97%0.0736%0.059CC..Hα-helixtrans-62.2-27177.9174.60000112F13 F15 F18 Q22 G45 K46 F50 E51 L52F13-V48 HydrophobicContact CD1-CG1 4.32Å; F13-V48 HydrophobicContact CE1-CG1 3.94Å; F15-V48 HydrophobicContact CE1-CG2 4Å; F15-V48 HydrophobicContact CZ-CG1 4.09Å; F15-V48 HydrophobicContact CZ-CG2 3.9Å; F18-V48 HydrophobicContact CD1-CG1 3.87Å; F18-V48 HydrophobicContact CE1-CG1 3.64Å; Q22-V48 HydrophobicContact CG-CB 4.23Å; Q22-V48 HydrophobicContact CG-CG1 4.15Å; G45-V48 WeakPolarHBondContact O-CB 3.3Å; G45-V48 PolarHBondContact O-N 3.39Å; K46-V48 PolarHBondContact O-N 3.37Å; K46-V48 VanDerWaalsContact O-N 3.15Å; V48-F50 VanDerWaalsContact C-N 3.32Å; V48-F50 PolarHBondContact O-N 3.09Å; V48-E51 PolarHBondContact O-N 3.23Å; V48-L52 HydrophobicContact CG1-CD1 4.13Å; V48-L52 HydrophobicContact CG1-CG 4.2Å; V48-L52 VanDerWaalsContact O-CG 3.24Å; V48-L52 WeakPolarHBondContact O-CG 3.45Å; V48-L52 PolarHBondContact O-N 3.19Å
49I94.8Very high90.8Very high1 Ų111.2 Ų11.21%0.0057%0.071CC..Hα-helixtrans-61-43.5176.1-60.7165.3000110.3I25 I29 L36 V38 K46 T47 A53 I181I25-I49 HydrophobicContact CD1-CD1 3.48Å; I25-I49 VanDerWaalsContact CD1-CD1 3.48Å; I25-I49 HydrophobicContact CD1-CG1 3.89Å; I25-I49 HydrophobicContact CG2-CG1 4.13Å; I25-I49 HydrophobicContact CG2-CG2 3.81Å; I29-I49 HydrophobicContact CD1-CG2 3.91Å; I29-I49 WeakPolarHBondContact CD1-O 3.28Å; L36-I49 HydrophobicContact CD2-CG2 4.05Å; V38-I49 HydrophobicContact CB-CD1 4.14Å; V38-I49 HydrophobicContact CG1-CD1 3.82Å; V38-I49 HydrophobicContact CG2-CD1 4.17Å; K46-I49 HydrophobicContact CB-CD1 4.32Å; K46-I49 WeakPolarHBondContact O-CB 3.46Å; K46-I49 VanDerWaalsContact O-CG1 3.31Å; K46-I49 WeakPolarHBondContact O-CG1 3.45Å; K46-I49 PolarHBondContact O-N 2.95Å; T47-I49 PolarHBondContact O-N 3.22Å; I49-A53 PolarHBondContact O-N 3.41Å; I49-I181 HydrophobicContact CG2-CG2 3.85Å
50F96.1Very high90.7Very high0 Ų014.6 Ų14.60%09%0.086CC..Hα-helixtrans-66.9-42.8176.1-55.9-54.3000111.1T47 V48 L52 A53 I54 Y74 W89 F149 D151 I181 A183T47-F50 WeakPolarHBondContact O-CB 3.28Å; T47-F50 PolarHBondContact O-N 2.86Å; T47-F50 VanDerWaalsContact O-N 3.11Å; V48-F50 VanDerWaalsContact C-N 3.32Å; V48-F50 PolarHBondContact O-N 3.09Å; F50-L52 VanDerWaalsContact C-N 3.33Å; F50-L52 PolarHBondContact O-N 3.05Å; F50-A53 WeakPolarHBondContact O-CB 3.48Å; F50-A53 PolarHBondContact O-N 2.89Å; F50-A53 VanDerWaalsContact O-N 3.07Å; F50-I54 WeakPolarHBondContact O-CG1 3.22Å; F50-I54 PolarHBondContact O-N 3.37Å; F50-Y74 HydrophobicContact CD2-CD2 4.44Å; F50-Y74 AromaticContact CD2-CE2 3.83Å; F50-Y74 HydrophobicContact CD2-CE2 3.83Å; F50-Y74 AromaticContact CE2-CE2 3.83Å; F50-Y74 HydrophobicContact CE2-CE2 3.83Å; F50-Y74 HydrophobicContact CG-CE2 4.43Å; F50-Y74 HydrophobicContact CZ-CE2 4.4Å; F50-W89 HydrophobicContact CB-CH2 3.86Å; F50-W89 HydrophobicContact CB-CZ2 3.81Å; F50-F149 HydrophobicContact CB-CD2 3.97Å; F50-F149 HydrophobicContact CB-CE2 4.06Å; F50-F149 HydrophobicContact CB-CG 4.36Å; F50-F149 HydrophobicContact CD1-CB 3.7Å; F50-F149 AromaticContact CD1-CD1 3.9Å; F50-F149 HydrophobicContact CD1-CD1 3.9Å; F50-F149 HydrophobicContact CD1-CD2 4.1Å; F50-F149 AromaticContact CD1-CG 3.63Å; F50-F149 HydrophobicContact CD1-CG 3.63Å; F50-F149 HydrophobicContact CE1-CB 3.83Å; F50-F149 HydrophobicContact CE1-CG 4.25Å; F50-F149 HydrophobicContact CG-CB 4.39Å; F50-F149 HydrophobicContact CG-CD2 4.26Å; F50-F149 HydrophobicContact CG-CG 4.24Å; F50-D151 HydrophobicContact CE2-CB 4.1Å; F50-D151 HydrophobicContact CZ-CB 4.16Å; F50-I181 HydrophobicContact CD1-CB 4.31Å; F50-I181 HydrophobicContact CD1-CG2 3.87Å; F50-I181 HydrophobicContact CE1-CB 4.37Å; F50-I181 HydrophobicContact CE1-CG2 3.9Å; F50-I181 WeakPolarHBondContact CE1-O 3.48Å; F50-A183 HydrophobicContact CE1-CB 4.17Å; F50-A183 HydrophobicContact CE2-CB 4.03Å; F50-A183 HydrophobicContact CZ-CB 3.46Å; F50-A183 VanDerWaalsContact CZ-CB 3.46Å
51E95.8Very high90.7Very high2 Ų216.8 Ų16.81%0.00910%0.095CC..Hα-helixtrans-60.4-41.7178.2-64.4177.6171.200112.2F13 T47 V48 A53 I54 V55 W89 K92 F93F13-E51 HydrophobicContact CE1-CB 3.89Å; F13-E51 HydrophobicContact CZ-CB 4.4Å; T47-E51 PolarHBondContact O-N 3.12Å; V48-E51 PolarHBondContact O-N 3.23Å; E51-A53 VanDerWaalsContact C-N 3.25Å; E51-A53 PolarHBondContact O-N 3.18Å; E51-I54 PolarHBondContact O-N 2.81Å; E51-V55 WeakPolarHBondContact O-CB 3.2Å; E51-V55 WeakPolarHBondContact O-CG2 3.39Å; E51-V55 PolarHBondContact O-N 2.9Å; E51-W89 HydrophobicContact CG-CZ2 4.38Å; E51-W89 PolarHBondContact OE1-NE1 3.23Å; E51-K92 IonicContact OE1-NZ 3.11Å; E51-K92 PolarHBondContact OE1-NZ 3.15Å; E51-K92 IonicContact OE2-NZ 3.22Å; E51-K92 PolarHBondContact OE2-NZ 2.74Å; E51-K92 VanDerWaalsContact OE2-NZ 3.11Å; E51-F93 HydrophobicContact CB-CZ 4.16Å; E51-F93 HydrophobicContact CG-CE2 4.37Å; E51-F93 HydrophobicContact CG-CZ 4.18Å
52L95.6Very high90.8Very high4 Ų418.3 Ų18.32%0.02111%0.108CC..Hα-helixtrans-59.6-37.1174.9-72.6167.3000112F13 F18 C26 I29 F30 V48 F50 K56F13-L52 HydrophobicContact CE2-CD2 4.38Å; F13-L52 HydrophobicContact CZ-CD2 3.8Å; F13-L52 HydrophobicContact CZ-CG 4.26Å; F18-L52 HydrophobicContact CE1-CD2 4.11Å; F18-L52 HydrophobicContact CE2-CD2 4.47Å; F18-L52 HydrophobicContact CZ-CD2 3.8Å; C26-L52 HydrophobicContact CB-CD1 3.81Å; C26-L52 HydrophobicContact CB-CD2 4.46Å; I29-L52 HydrophobicContact CD1-CB 3.92Å; F30-L52 HydrophobicContact CE2-CB 4.37Å; F30-L52 HydrophobicContact CE2-CD2 4.07Å; V48-L52 HydrophobicContact CG1-CD1 4.13Å; V48-L52 HydrophobicContact CG1-CG 4.2Å; V48-L52 VanDerWaalsContact O-CG 3.24Å; V48-L52 WeakPolarHBondContact O-CG 3.45Å; V48-L52 PolarHBondContact O-N 3.19Å; F50-L52 VanDerWaalsContact C-N 3.33Å; F50-L52 PolarHBondContact O-N 3.05Å; L52-K56 PolarHBondContact O-N 3.21Å
53A96.3Very high91Very high2 Ų223.1 Ų23.12%0.01714%0.137CC..Hα-helixtrans-73.3-38.5177.200000113.1I29 I49 F50 E51 V55 K56 Q57 L147 F149 I181I29-A53 HydrophobicContact CG2-CB 4.42Å; I49-A53 PolarHBondContact O-N 3.41Å; F50-A53 WeakPolarHBondContact O-CB 3.48Å; F50-A53 PolarHBondContact O-N 2.89Å; F50-A53 VanDerWaalsContact O-N 3.07Å; E51-A53 VanDerWaalsContact C-N 3.25Å; E51-A53 PolarHBondContact O-N 3.18Å; A53-V55 VanDerWaalsContact C-N 3.34Å; A53-K56 PolarHBondContact O-N 2.95Å; A53-Q57 PolarHBondContact O-N 3.18Å; A53-L147 HydrophobicContact CB-CD1 4.32Å; A53-F149 HydrophobicContact CB-CE1 3.89Å; A53-F149 HydrophobicContact CB-CZ 3.87Å; A53-I181 HydrophobicContact CB-CD1 3.12Å
54I95.8Very high91.5Very high0 Ų025 Ų250%015%0.148CC..Hα-helixtrans-59.9-48171.6-62.5169.3000109.6F50 E51 K56 Q57 L58 I72 W89 F93 L120 F149F50-I54 WeakPolarHBondContact O-CG1 3.22Å; F50-I54 PolarHBondContact O-N 3.37Å; E51-I54 PolarHBondContact O-N 2.81Å; I54-K56 VanDerWaalsContact C-N 3.31Å; I54-K56 PolarHBondContact O-N 2.76Å; I54-Q57 PolarHBondContact O-N 3.03Å; I54-Q57 VanDerWaalsContact O-N 3.16Å; I54-L58 HydrophobicContact CG2-CD1 3.83Å; I54-L58 HydrophobicContact CG2-CG 4.23Å; I54-L58 WeakPolarHBondContact O-CG 3.17Å; I54-L58 PolarHBondContact O-N 3.14Å; I54-I72 HydrophobicContact CG1-CD1 4.32Å; I54-I72 HydrophobicContact CG2-CD1 4.37Å; I54-W89 HydrophobicContact CD1-CD2 4.19Å; I54-W89 HydrophobicContact CD1-CE3 4.01Å; I54-W89 HydrophobicContact CD1-CH2 3.96Å; I54-W89 HydrophobicContact CD1-CZ2 4.15Å; I54-W89 HydrophobicContact CD1-CZ3 3.89Å; I54-F93 HydrophobicContact CB-CE1 4.03Å; I54-F93 HydrophobicContact CB-CZ 3.94Å; I54-F93 HydrophobicContact CD1-CD2 4.23Å; I54-F93 HydrophobicContact CD1-CE2 3.6Å; I54-F93 HydrophobicContact CD1-CZ 3.83Å; I54-F93 HydrophobicContact CG1-CZ 4.49Å; I54-F93 HydrophobicContact CG2-CD1 3.73Å; I54-F93 HydrophobicContact CG2-CD2 4.43Å; I54-F93 HydrophobicContact CG2-CE1 3.53Å; I54-F93 HydrophobicContact CG2-CE2 4.26Å; I54-F93 HydrophobicContact CG2-CG 4.2Å; I54-F93 HydrophobicContact CG2-CZ 3.82Å; I54-L120 HydrophobicContact CD1-CD1 4.35Å; I54-L120 HydrophobicContact CD1-CD2 4.16Å; I54-F149 HydrophobicContact CD1-CE2 3.92Å; I54-F149 HydrophobicContact CG1-CE2 3.56Å; I54-F149 HydrophobicContact CG1-CZ 3.81Å
55V94.9Very high91.4Very high0 Ų031.2 Ų31.20%019%0.192CC..Hα-helixtrans-58.5-43.5178167.50000111.2F5 F9 V12 F13 F30 E51 A53 L58 N59 F93F5-V55 HydrophobicContact CE1-CG1 4.45Å; F5-V55 HydrophobicContact CE2-CG1 3.63Å; F5-V55 HydrophobicContact CZ-CG1 3.38Å; F9-V55 HydrophobicContact CB-CG1 3.74Å; F9-V55 HydrophobicContact CB-CG2 4.39Å; F9-V55 HydrophobicContact CD1-CB 4.41Å; F9-V55 HydrophobicContact CD1-CG1 3.81Å; F9-V55 HydrophobicContact CD1-CG2 4.1Å; F9-V55 HydrophobicContact CD2-CG1 3.77Å; F9-V55 HydrophobicContact CE1-CG1 4.32Å; F9-V55 HydrophobicContact CE2-CG1 4.28Å; F9-V55 HydrophobicContact CG-CG1 3.5Å; F9-V55 HydrophobicContact CG-CG2 4.41Å; V12-V55 HydrophobicContact CG1-CG2 4.3Å; V12-V55 HydrophobicContact CG2-CG2 4.43Å; F13-V55 HydrophobicContact CE2-CG2 4.49Å; F13-V55 HydrophobicContact CZ-CG2 4.32Å; F30-V55 HydrophobicContact CZ-CG1 4.26Å; E51-V55 WeakPolarHBondContact O-CB 3.2Å; E51-V55 WeakPolarHBondContact O-CG2 3.39Å; E51-V55 PolarHBondContact O-N 2.9Å; A53-V55 VanDerWaalsContact C-N 3.34Å; V55-L58 PolarHBondContact O-N 3.4Å; V55-N59 WeakPolarHBondContact O-CB 3.37Å; V55-N59 PolarHBondContact O-N 2.82Å; V55-F93 HydrophobicContact CG2-CE1 4.17Å
56K94.2Very high91.3Very high13 Ų1335.9 Ų35.96%0.05721%0.206CC..Hα-helixtrans-58.9-48.9174.4174.6169.7172.9165.10111.8I29 F30 T32 N33 L52 A53 I54 L58 N59 E60I29-K56 HydrophobicContact CG2-CB 4.4Å; I29-K56 HydrophobicContact CG2-CD 4.06Å; I29-K56 WeakPolarHBondContact O-CD 3.4Å; I29-K56 WeakPolarHBondContact O-CE 3.46Å; I29-K56 PolarHBondContact O-NZ 3.13Å; F30-K56 HydrophobicContact CD1-CB 4.41Å; F30-K56 HydrophobicContact CD1-CD 4.49Å; F30-K56 HydrophobicContact CE1-CB 3.88Å; F30-K56 HydrophobicContact CE1-CG 4.4Å; F30-K56 HydrophobicContact CZ-CB 4.05Å; T32-K56 PolarHBondContact O-NZ 3.06Å; N33-K56 WeakPolarHBondContact OD1-CE 3.34Å; N33-K56 PolarHBondContact OD1-NZ 3.32Å; L52-K56 PolarHBondContact O-N 3.21Å; A53-K56 PolarHBondContact O-N 2.95Å; I54-K56 VanDerWaalsContact C-N 3.31Å; I54-K56 PolarHBondContact O-N 2.76Å; K56-L58 PolarHBondContact O-N 2.8Å; K56-N59 WeakPolarHBondContact O-CB 3.24Å; K56-N59 PolarHBondContact O-N 2.67Å; K56-E60 WeakPolarHBondContact CE-OE1 3.36Å; K56-E60 HydrophobicContact CG-CG 4.49Å; K56-E60 IonicContact NZ-OE1 3.63Å; K56-E60 WeakPolarHBondContact O-CG 3.45Å; K56-E60 PolarHBondContact O-N 3.26Å
57Q94.2Very high91Very high27 Ų2742 Ų4213%0.12623%0.233CC..Hα-helixtrans-62.9-41.7-179.9-17661.54900112.4A53 I54 N59 E60 Y61 F70 I72 L147A53-Q57 PolarHBondContact O-N 3.18Å; I54-Q57 PolarHBondContact O-N 3.03Å; I54-Q57 VanDerWaalsContact O-N 3.16Å; Q57-N59 VanDerWaalsContact C-N 3.32Å; Q57-N59 PolarHBondContact O-N 2.86Å; Q57-E60 PolarHBondContact O-N 3.43Å; Q57-Y61 WeakPolarHBondContact O-CB 3.45Å; Q57-Y61 PolarHBondContact O-N 2.78Å; Q57-F70 HydrophobicContact CG-CD2 4.15Å; Q57-F70 HydrophobicContact CG-CE2 3.86Å; Q57-F70 HydrophobicContact CG-CZ 4.09Å; Q57-I72 HydrophobicContact CB-CD1 4.49Å; Q57-I72 HydrophobicContact CG-CD1 4.28Å; Q57-L147 HydrophobicContact CB-CD1 3.84Å; Q57-L147 HydrophobicContact CG-CD1 4.29Å
58L93.1Very high90.8Very high5 Ų544 Ų443%0.02624%0.241CC..Hα-helixtrans-64.3-38.1175.3-71.5172.7000111.7F9 I54 V55 K56 A62 F70 F93 F96F9-L58 HydrophobicContact CE1-CB 3.95Å; F9-L58 HydrophobicContact CE1-CD1 4.29Å; F9-L58 HydrophobicContact CZ-CB 4Å; I54-L58 HydrophobicContact CG2-CD1 3.83Å; I54-L58 HydrophobicContact CG2-CG 4.23Å; I54-L58 WeakPolarHBondContact O-CG 3.17Å; I54-L58 PolarHBondContact O-N 3.14Å; V55-L58 PolarHBondContact O-N 3.4Å; K56-L58 PolarHBondContact O-N 2.8Å; L58-A62 VanDerWaalsContact O-CB 3.29Å; L58-A62 WeakPolarHBondContact O-CB 3.03Å; L58-A62 PolarHBondContact O-N 2.85Å; L58-F70 HydrophobicContact CD2-CZ 4.1Å; L58-F93 HydrophobicContact CD1-CD1 3.97Å; L58-F93 HydrophobicContact CD1-CE1 4.47Å; L58-F96 HydrophobicContact CD1-CB 4Å; L58-F96 HydrophobicContact CD1-CD2 3.95Å; L58-F96 HydrophobicContact CD1-CG 4.08Å; L58-F96 HydrophobicContact CD2-CB 4.23Å
59N91.6Very high90.6Very high47 Ų4745.1 Ų45.125%0.25125%0.249SC..Hα-helixtrans-66.9-43.1176.1-173.574.2000111.8F5 F9 V55 K56 Q57 A62 T63F5-N59 HydrophobicContact CD2-CB 4.38Å; F5-N59 HydrophobicContact CE2-CB 4.24Å; F9-N59 HydrophobicContact CE2-CB 3.77Å; F9-N59 HydrophobicContact CZ-CB 4.11Å; V55-N59 WeakPolarHBondContact O-CB 3.37Å; V55-N59 PolarHBondContact O-N 2.82Å; K56-N59 WeakPolarHBondContact O-CB 3.24Å; K56-N59 PolarHBondContact O-N 2.67Å; Q57-N59 VanDerWaalsContact C-N 3.32Å; Q57-N59 PolarHBondContact O-N 2.86Å; N59-A62 PolarHBondContact O-N 3.32Å; N59-T63 WeakPolarHBondContact O-CB 3.35Å; N59-T63 PolarHBondContact O-N 3.42Å; N59-T63 PolarHBondContact O-OG1 3.22Å
60E90.3Very high90.5Very high72 Ų7245.2 Ų45.234%0.33625%0.249SC..Hα-helixtrans-62.9-47175.6-74.3176.3176.600111.3K56 Q57 A62 T63 S64K56-E60 WeakPolarHBondContact CE-OE1 3.36Å; K56-E60 HydrophobicContact CG-CG 4.49Å; K56-E60 IonicContact NZ-OE1 3.63Å; K56-E60 WeakPolarHBondContact O-CG 3.45Å; K56-E60 PolarHBondContact O-N 3.26Å; Q57-E60 PolarHBondContact O-N 3.43Å; E60-A62 VanDerWaalsContact C-N 3.3Å; E60-A62 PolarHBondContact O-N 3.13Å; E60-T63 PolarHBondContact O-N 2.55Å; E60-S64 WeakPolarHBondContact O-CB 3.35Å; E60-S64 PolarHBondContact O-N 2.97Å
61Y90Very high90.4Very high46 Ų4645.5 Ų45.518%0.1825%0.251CS..Hα-helixtrans-58.5-41.8175.4177-105.8000112.4Q57 T63 K67 D68 F70 Q118Q57-Y61 WeakPolarHBondContact O-CB 3.45Å; Q57-Y61 PolarHBondContact O-N 2.78Å; Y61-T63 VanDerWaalsContact C-N 3.32Å; Y61-T63 PolarHBondContact O-N 3.15Å; Y61-K67 HydrophobicContact CE2-CB 3.99Å; Y61-K67 HydrophobicContact CE2-CG 4.35Å; Y61-D68 VanDerWaalsContact CE2-O 3.31Å; Y61-D68 WeakPolarHBondContact CE2-O 3.49Å; Y61-F70 HydrophobicContact CD1-CE1 4.11Å; Y61-F70 AromaticContact CD2-CD1 3.82Å; Y61-F70 HydrophobicContact CD2-CD1 3.82Å; Y61-F70 AromaticContact CD2-CE1 3.71Å; Y61-F70 HydrophobicContact CD2-CE1 3.71Å; Y61-F70 HydrophobicContact CE2-CD1 4.34Å; Y61-F70 HydrophobicContact CE2-CE1 4.34Å; Y61-F70 HydrophobicContact CG-CD1 4.18Å; Y61-F70 AromaticContact CG-CE1 3.58Å; Y61-F70 HydrophobicContact CG-CE1 3.58Å; Y61-Q118 HydrophobicContact CE1-CG 4.31Å; Y61-Q118 PolarHBondContact OH-NE2 3.26Å
62A87.8Confident90.4Very high35 Ų3545.4 Ų45.429%0.28925%0.25SS..Hα-helixtrans-74.5-21.7-179.600000114.3R8 L58 N59 E60R8-A62 VanDerWaalsContact CZ-CB 3.46Å; L58-A62 VanDerWaalsContact O-CB 3.29Å; L58-A62 WeakPolarHBondContact O-CB 3.03Å; L58-A62 PolarHBondContact O-N 2.85Å; N59-A62 PolarHBondContact O-N 3.32Å; E60-A62 VanDerWaalsContact C-N 3.3Å; E60-A62 PolarHBondContact O-N 3.13Å
63T86.4Confident90.4Very high105 Ų10545.4 Ų45.464%0.64425%0.25SS*.Hα-helixtrans-93.2-21.8177.5-48.20000111.6N59 E60 Y61N59-T63 WeakPolarHBondContact O-CB 3.35Å; N59-T63 PolarHBondContact O-N 3.42Å; N59-T63 PolarHBondContact O-OG1 3.22Å; E60-T63 PolarHBondContact O-N 2.55Å; Y61-T63 VanDerWaalsContact C-N 3.32Å; Y61-T63 PolarHBondContact O-N 3.15Å
64S87.5Confident90.4Very high55 Ų5545.4 Ų45.439%0.38525%0.25SC..  trans-66.3137177.1-179.20000111.7E60 Q66E60-S64 WeakPolarHBondContact O-CB 3.35Å; E60-S64 PolarHBondContact O-N 2.97Å; S64-Q66 VanDerWaalsContact C-N 3.27Å; S64-Q66 PolarHBondContact OG-N 2.83Å; S64-Q66 PolarHBondContact OG-O 2.82Å
65S81.2Confident90.4Very high132 Ų13245.5 Ų45.592%0.92325%0.25SS*.SBendtrans-68.9-28.3171.3-52.80000112.2
66Q79.7Confident90.2Very high126 Ų12645.5 Ų45.559%0.58925%0.25SS*.  trans-98.9118.3178.6-173.7170.1-0.200109.8S64 D68S64-Q66 VanDerWaalsContact C-N 3.27Å; S64-Q66 PolarHBondContact OG-N 2.83Å; S64-Q66 PolarHBondContact OG-O 2.82Å; Q66-D68 VanDerWaalsContact CD-OD2 3.3Å; Q66-D68 WeakPolarHBondContact CG-OD1 3.48Å; Q66-D68 PolarHBondContact NE2-OD1 2.74Å; Q66-D68 PolarHBondContact NE2-OD2 2.89Å; Q66-D68 PolarHBondContact O-N 3.29Å
67K82.7Confident89.8Confident149 Ų14945.1 Ų45.165%0.64825%0.249SC*.  trans-101.759.6-175.8-71.8-171.8-179.9178.70111.5Y61Y61-K67 HydrophobicContact CE2-CB 3.99Å; Y61-K67 HydrophobicContact CE2-CG 4.35Å
68D85.6Confident89.1Confident90 Ų9044.1 Ų44.148%0.48125%0.245SC..  trans-75.3139.6176.2-62.6-20.7000110.7Y61 Q66Y61-D68 VanDerWaalsContact CE2-O 3.31Å; Y61-D68 WeakPolarHBondContact CE2-O 3.49Å; Q66-D68 VanDerWaalsContact CD-OD2 3.3Å; Q66-D68 WeakPolarHBondContact CG-OD1 3.48Å; Q66-D68 PolarHBondContact NE2-OD1 2.74Å; Q66-D68 PolarHBondContact NE2-OD2 2.89Å; Q66-D68 PolarHBondContact O-N 3.29Å
69P89.1Confident88.4Confident36 Ų3645.5 Ų45.523%0.23425%0.251CS..  trans-61.9140.3173.127.3-34000110.1K144P69-K144 HydrophobicContact CG-CD 4.46Å
70F92.5Very high87.7Confident4 Ų444.6 Ų44.62%0.01825%0.248CC..  trans-130.4156.9178.465.6-96.8000111.1Q57 L58 Y61 I72 I98 Q118 V119 K144 K146Q57-F70 HydrophobicContact CG-CD2 4.15Å; Q57-F70 HydrophobicContact CG-CE2 3.86Å; Q57-F70 HydrophobicContact CG-CZ 4.09Å; L58-F70 HydrophobicContact CD2-CZ 4.1Å; Y61-F70 HydrophobicContact CD1-CE1 4.11Å; Y61-F70 AromaticContact CD2-CD1 3.82Å; Y61-F70 HydrophobicContact CD2-CD1 3.82Å; Y61-F70 AromaticContact CD2-CE1 3.71Å; Y61-F70 HydrophobicContact CD2-CE1 3.71Å; Y61-F70 HydrophobicContact CE2-CD1 4.34Å; Y61-F70 HydrophobicContact CE2-CE1 4.34Å; Y61-F70 HydrophobicContact CG-CD1 4.18Å; Y61-F70 AromaticContact CG-CE1 3.58Å; Y61-F70 HydrophobicContact CG-CE1 3.58Å; F70-I72 HydrophobicContact CD2-CD1 4.33Å; F70-I72 HydrophobicContact CD2-CG1 3.98Å; F70-I72 HydrophobicContact CE2-CD1 3.73Å; F70-I72 HydrophobicContact CE2-CG1 3.88Å; F70-I98 HydrophobicContact CE2-CD1 4.15Å; F70-I98 HydrophobicContact CZ-CD1 4.48Å; F70-Q118 HydrophobicContact CD1-CB 4.36Å; F70-Q118 HydrophobicContact CD1-CG 3.72Å; F70-Q118 HydrophobicContact CE1-CB 3.98Å; F70-Q118 HydrophobicContact CE1-CG 3.34Å; F70-Q118 HydrophobicContact CE2-CB 4.2Å; F70-Q118 HydrophobicContact CE2-CG 4.45Å; F70-Q118 HydrophobicContact CG-CG 4.43Å; F70-Q118 HydrophobicContact CZ-CB 3.88Å; F70-Q118 HydrophobicContact CZ-CG 3.75Å; F70-Q118 WeakPolarHBondContact O-CA 3.1Å; F70-V119 PolarHBondContact O-N 2.82Å; F70-K144 WeakPolarHBondContact CA-O 3.45Å; F70-K146 HydrophobicContact CB-CG 3.71Å
71I93.2Very high87.5Confident6 Ų642 Ų423%0.03124%0.237CC..EExtended strand (participates in β ladder)trans-115.9135.9177.6-58174.2000108.7I73 I112 V119 I141 K144 L145 K146I71-I73 HydrophobicContact CG2-CG1 3.97Å; I71-I112 HydrophobicContact CD1-CG2 3.87Å; I71-V119 CarbonylContact C-O 3.53Å; I71-V119 WeakPolarHBondContact CA-O 3.34Å; I71-V119 HydrophobicContact CG1-CB 4.35Å; I71-I141 HydrophobicContact CD1-CB 4.49Å; I71-I141 HydrophobicContact CD1-CG2 4.04Å; I71-K144 HydrophobicContact CD1-CB 3.9Å; I71-K144 HydrophobicContact CD1-CD 4.45Å; I71-K144 HydrophobicContact CG1-CB 3.93Å; I71-K144 PolarHBondContact N-O 3.49Å; I71-L145 HydrophobicContact CB-CD1 4.41Å; I71-L145 HydrophobicContact CG2-CD1 4.16Å; I71-K146 PolarHBondContact O-N 2.8Å
72I96.1Very high87.4Confident0 Ų039.9 Ų39.90%023%0.228CC..EExtended strand (participates in β ladder)trans-115.2127.3166.9-60.4175000107.1I54 Q57 F70 I98 V119 L120 L121 L147 F149I54-I72 HydrophobicContact CG1-CD1 4.32Å; I54-I72 HydrophobicContact CG2-CD1 4.37Å; Q57-I72 HydrophobicContact CB-CD1 4.49Å; Q57-I72 HydrophobicContact CG-CD1 4.28Å; F70-I72 HydrophobicContact CD2-CD1 4.33Å; F70-I72 HydrophobicContact CD2-CG1 3.98Å; F70-I72 HydrophobicContact CE2-CD1 3.73Å; F70-I72 HydrophobicContact CE2-CG1 3.88Å; I72-I98 HydrophobicContact CD1-CD1 4.22Å; I72-V119 PolarHBondContact N-O 3.46Å; I72-L120 HydrophobicContact CB-CD1 3.74Å; I72-L120 HydrophobicContact CG2-CD1 3.44Å; I72-L120 VanDerWaalsContact CG2-CD1 3.44Å; I72-L120 WeakPolarHBondContact O-CA 3.32Å; I72-L121 PolarHBondContact O-N 2.96Å; I72-L147 HydrophobicContact CB-CB 4.44Å; I72-L147 HydrophobicContact CD1-CD1 4.02Å; I72-L147 HydrophobicContact CG1-CB 4.12Å; I72-L147 HydrophobicContact CG1-CD1 4.23Å; I72-L147 HydrophobicContact CG1-CG 4.37Å; I72-L147 HydrophobicContact CG2-CB 3.99Å; I72-F149 HydrophobicContact CG2-CD2 4.12Å; I72-F149 HydrophobicContact CG2-CE2 3.64Å; I72-F149 HydrophobicContact CG2-CZ 4.04Å
73I95.5Very high87.3Confident4 Ų439.6 Ų39.62%0.02122%0.224CC..EExtended strand (participates in β ladder)trans-109.7129.9175.7-64.7175.2000109.1I71 I75 L121 T123 L128 L145 L147 C148 F149I71-I73 HydrophobicContact CG2-CG1 3.97Å; I73-I75 HydrophobicContact CG2-CD1 4.4Å; I73-I75 HydrophobicContact CG2-CG1 3.86Å; I73-L121 CarbonylContact C-O 3.53Å; I73-L121 WeakPolarHBondContact CA-O 3.38Å; I73-L121 HydrophobicContact CG1-CB 4.38Å; I73-L121 HydrophobicContact CG1-CD2 4.31Å; I73-T123 HydrophobicContact CG2-CG2 4.18Å; I73-L128 HydrophobicContact CG2-CD2 3.73Å; I73-L145 HydrophobicContact CB-CD1 4.07Å; I73-L145 HydrophobicContact CD1-CD1 3.59Å; I73-L145 HydrophobicContact CD1-CD2 4.04Å; I73-L145 HydrophobicContact CD1-CG 4.45Å; I73-L145 HydrophobicContact CG1-CD1 3.55Å; I73-L147 PolarHBondContact N-O 3.39Å; I73-C148 CarbonylContact O-C 3.57Å; I73-C148 WeakPolarHBondContact O-CA 3.43Å; I73-F149 PolarHBondContact O-N 3.09Å
74Y97.1Very high87.2Confident1 Ų138.5 Ų38.50%0.00421%0.212CC..EExtended strand (participates in β ladder)trans-114.6118.3170173.3-96.8000110.4F50 A76 T85 W89 L121 I122 T123 F149 D151F50-Y74 HydrophobicContact CD2-CD2 4.44Å; F50-Y74 AromaticContact CD2-CE2 3.83Å; F50-Y74 HydrophobicContact CD2-CE2 3.83Å; F50-Y74 AromaticContact CE2-CE2 3.83Å; F50-Y74 HydrophobicContact CE2-CE2 3.83Å; F50-Y74 HydrophobicContact CG-CE2 4.43Å; F50-Y74 HydrophobicContact CZ-CE2 4.4Å; Y74-A76 HydrophobicContact CD1-CB 4.14Å; Y74-A76 HydrophobicContact CE1-CB 3.36Å; Y74-T85 HydrophobicContact CD1-CG2 4.21Å; Y74-T85 HydrophobicContact CE1-CG2 3.8Å; Y74-W89 HydrophobicContact CD1-CZ3 4.34Å; Y74-W89 AromaticContact CD2-CH2 3.51Å; Y74-W89 HydrophobicContact CD2-CH2 3.51Å; Y74-W89 AromaticContact CD2-CZ3 3.91Å; Y74-W89 HydrophobicContact CD2-CZ3 3.91Å; Y74-W89 AromaticContact CE2-CH2 3.96Å; Y74-W89 HydrophobicContact CE2-CH2 3.96Å; Y74-W89 AromaticContact CG-CH2 3.85Å; Y74-W89 HydrophobicContact CG-CH2 3.85Å; Y74-W89 AromaticContact CG-CZ3 3.74Å; Y74-W89 HydrophobicContact CG-CZ3 3.74Å; Y74-L121 PolarHBondContact N-O 2.62Å; Y74-I122 HydrophobicContact CD1-CB 4.43Å; Y74-I122 HydrophobicContact CD1-CG1 4.27Å; Y74-I122 HydrophobicContact CD1-CG2 3.92Å; Y74-I122 HydrophobicContact CE1-CG2 4.42Å; Y74-T123 PolarHBondContact O-N 2.82Å; Y74-F149 HydrophobicContact CD2-CB 3.67Å; Y74-F149 HydrophobicContact CD2-CD2 4.06Å; Y74-F149 HydrophobicContact CD2-CG 4.38Å; Y74-F149 HydrophobicContact CG-CB 4.45Å; Y74-D151 HydrophobicContact CE2-CB 3.99Å; Y74-D151 PolarHBondContact OH-OD2 3.2Å; Y74-D151 VanDerWaalsContact OH-OD2 3.13Å
75I95.2Very high87.3Confident2 Ų236.3 Ų36.31%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-103.2111.3179.4-56.3173.2000107.7I73 T123 P125 L128 F149 D151 L165 L168 I169I73-I75 HydrophobicContact CG2-CD1 4.4Å; I73-I75 HydrophobicContact CG2-CG1 3.86Å; I75-T123 WeakPolarHBondContact CA-O 3.38Å; I75-T123 HydrophobicContact CG1-CG2 4.43Å; I75-P125 HydrophobicContact CG2-CB 4.32Å; I75-P125 HydrophobicContact CG2-CG 3.65Å; I75-L128 HydrophobicContact CD1-CD2 3.77Å; I75-L128 HydrophobicContact CG1-CD2 3.94Å; I75-F149 PolarHBondContact N-O 3Å; I75-D151 PolarHBondContact O-N 2.85Å; I75-L165 HydrophobicContact CG2-CD1 4.19Å; I75-L168 HydrophobicContact CD1-CD2 4.33Å; I75-I169 HydrophobicContact CD1-CD1 3.67Å
76A92.2Very high87.9Confident0 Ų032.6 Ų32.60%016%0.163CC..  trans-111.3151.7172.600000111Y74 T78 I81 T123 T124 P125Y74-A76 HydrophobicContact CD1-CB 4.14Å; Y74-A76 HydrophobicContact CE1-CB 3.36Å; A76-T78 VanDerWaalsContact C-N 3.35Å; A76-T78 PolarHBondContact O-N 2.81Å; A76-I81 HydrophobicContact CB-CB 4.02Å; A76-I81 HydrophobicContact CB-CG2 3.5Å; A76-T123 PolarHBondContact N-O 3.41Å; A76-T124 WeakPolarHBondContact O-CA 3.5Å; A76-P125 WeakPolarHBondContact O-CD 3.43Å
77P83.9Confident88.3Confident5 Ų530.4 Ų30.43%0.03216%0.162CC..SBendtrans-78.2-18.8-170.131.7-38.4000114.7I81 E152 L155 R161 M345 L1327P77-I81 HydrophobicContact CG-CD1 3.72Å; P77-E152 HydrophobicContact CG-CB 4.04Å; P77-E152 HydrophobicContact CG-CG 4.16Å; P77-L155 HydrophobicContact CB-CD1 3.06Å; P77-L155 HydrophobicContact CG-CD1 3.7Å; P77-R161 PolarHBondContact O-NH1 3.16Å; P77-M345 HydrophobicContact CG-CE 4.06Å; P77-L1327 WeakPolarHBondContact O-CD2 3.28Å
78T80.6Confident88.7Confident7 Ų726 Ų264%0.04314%0.144CC..SBendtrans-133148.5-177.674.80000110.1A76 S80 I81 C82 L1327A76-T78 VanDerWaalsContact C-N 3.35Å; A76-T78 PolarHBondContact O-N 2.81Å; T78-S80 VanDerWaalsContact C-N 3.25Å; T78-S80 PolarHBondContact O-N 3.34Å; T78-S80 PolarHBondContact OG1-OG 3.07Å; T78-I81 HydrophobicContact CG2-CD1 4.37Å; T78-I81 PolarHBondContact O-N 2.95Å; T78-I81 WeakPolarHBondContact OG1-CD1 3.35Å; T78-I81 VanDerWaalsContact OG1-CG1 3.3Å; T78-I81 WeakPolarHBondContact OG1-CG1 3.24Å; T78-I81 PolarHBondContact OG1-N 3.38Å; T78-C82 PolarHBondContact O-N 3.02Å; T78-C82 VanDerWaalsContact O-N 3.1Å; T78-C82 PolarHBondContact O-SG 3.21Å; T78-C82 VanDerWaalsContact O-SG 3.42Å; T78-L1327 HydrophobicContact CG2-CD1 3.45Å; T78-L1327 VanDerWaalsContact CG2-CD1 3.45Å; T78-L1327 HydrophobicContact CG2-CG 4.41Å
79K78.1Confident89.1Confident34 Ų3421.7 Ų21.715%0.14812%0.121CC..Hα-helixtrans-59.4-36.9173.9-60.8-176.8176.7179.80112.2I81 C82 S83 T104 D106 T124K79-I81 VanDerWaalsContact C-N 3.34Å; K79-I81 PolarHBondContact O-N 2.86Å; K79-C82 CarbonylContact O-C 3.44Å; K79-C82 WeakPolarHBondContact O-CA 3.41Å; K79-C82 VanDerWaalsContact O-CB 3.28Å; K79-C82 WeakPolarHBondContact O-CB 3.08Å; K79-C82 PolarHBondContact O-N 3.36Å; K79-S83 PolarHBondContact O-N 2.69Å; K79-S83 PolarHBondContact O-OG 3.28Å; K79-T104 HydrophobicContact CB-CG2 4.41Å; K79-T104 HydrophobicContact CG-CG2 4.19Å; K79-D106 VanDerWaalsContact CD-OD2 3.28Å; K79-D106 WeakPolarHBondContact CD-OD2 3.12Å; K79-D106 WeakPolarHBondContact CE-OD2 3.2Å; K79-D106 IonicContact NZ-OD1 2.84Å; K79-D106 PolarHBondContact NZ-OD1 3.2Å; K79-D106 IonicContact NZ-OD2 3.82Å; K79-D106 PolarHBondContact NZ-OD2 3.24Å; K79-T124 HydrophobicContact CG-CG2 3.99Å
80S76.8Confident89.3Confident28 Ų2823.1 Ų23.120%0.19613%0.126CC..Hα-helixtrans-58.5-42.617649.30000112.8T78 Q84T78-S80 VanDerWaalsContact C-N 3.25Å; T78-S80 PolarHBondContact O-N 3.34Å; T78-S80 PolarHBondContact OG1-OG 3.07Å; S80-Q84 WeakPolarHBondContact O-CB 3.49Å; S80-Q84 PolarHBondContact O-N 3.38Å
81I85.4Confident89.3Confident18 Ų1829.4 Ų29.49%0.09215%0.15CC..Hα-helixtrans-65.9-41.6173.4-67.3164000110.1A76 P77 T78 K79 T85 G346A76-I81 HydrophobicContact CB-CB 4.02Å; A76-I81 HydrophobicContact CB-CG2 3.5Å; P77-I81 HydrophobicContact CG-CD1 3.72Å; T78-I81 HydrophobicContact CG2-CD1 4.37Å; T78-I81 PolarHBondContact O-N 2.95Å; T78-I81 WeakPolarHBondContact OG1-CD1 3.35Å; T78-I81 VanDerWaalsContact OG1-CG1 3.3Å; T78-I81 WeakPolarHBondContact OG1-CG1 3.24Å; T78-I81 PolarHBondContact OG1-N 3.38Å; K79-I81 VanDerWaalsContact C-N 3.34Å; K79-I81 PolarHBondContact O-N 2.86Å; I81-T85 WeakPolarHBondContact O-CB 3.46Å; I81-T85 PolarHBondContact O-N 3.04Å; I81-T85 PolarHBondContact O-OG1 2.86Å; I81-G346 VanDerWaalsContact CG1-CA 3.4Å
82C89.8Confident89.3Confident0 Ų029.5 Ų29.50%015%0.15CC..Hα-helixtrans-57.6-51.2175.6-65.70000111.9T78 K79 Q84 T85 F86 T104 I122 T123T78-C82 PolarHBondContact O-N 3.02Å; T78-C82 VanDerWaalsContact O-N 3.1Å; T78-C82 PolarHBondContact O-SG 3.21Å; T78-C82 VanDerWaalsContact O-SG 3.42Å; K79-C82 CarbonylContact O-C 3.44Å; K79-C82 WeakPolarHBondContact O-CA 3.41Å; K79-C82 VanDerWaalsContact O-CB 3.28Å; K79-C82 WeakPolarHBondContact O-CB 3.08Å; K79-C82 PolarHBondContact O-N 3.36Å; C82-Q84 PolarHBondContact O-N 3.04Å; C82-T85 PolarHBondContact O-N 2.72Å; C82-F86 VanDerWaalsContact O-CB 3.24Å; C82-F86 WeakPolarHBondContact O-CB 3.45Å; C82-F86 PolarHBondContact O-N 3.32Å; C82-T104 HydrophobicContact CB-CG2 3.96Å; C82-I122 HydrophobicContact CB-CG2 3.66Å; C82-I122 WeakPolarHBondContact O-CG2 3.48Å; C82-T123 PolarHBondContact SG-O 2.72Å
83S84.5Confident89.2Confident30 Ų3029.5 Ų29.521%0.2115%0.15CC..Hα-helixtrans-66-38.6-178.1-61.30000112.9K79 S87 E1334K79-S83 PolarHBondContact O-N 2.69Å; K79-S83 PolarHBondContact O-OG 3.28Å; S83-S87 WeakPolarHBondContact O-CB 3.5Å; S83-S87 PolarHBondContact O-N 3.45Å; S83-S87 PolarHBondContact O-OG 3.31Å; S83-E1334 WeakPolarHBondContact CB-OE1 2.87Å; S83-E1334 VanDerWaalsContact OG-CD 3.3Å; S83-E1334 PolarHBondContact OG-OE1 3.43Å; S83-E1334 PolarHBondContact OG-OE2 3.31Å
84Q84.4Confident88.8Confident81 Ų8132.1 Ų32.138%0.37917%0.168SC..Hα-helixtrans-63.2-50.5172.7-175.3-174.8-18.800110.8S80 C82 F86 S87 E88 G346S80-Q84 WeakPolarHBondContact O-CB 3.49Å; S80-Q84 PolarHBondContact O-N 3.38Å; C82-Q84 PolarHBondContact O-N 3.04Å; Q84-F86 VanDerWaalsContact C-N 3.3Å; Q84-F86 PolarHBondContact O-N 2.8Å; Q84-S87 PolarHBondContact O-N 3.06Å; Q84-E88 PolarHBondContact O-N 3.24Å; Q84-G346 PolarHBondContact OE1-O 3.14Å
85T91Very high88.4Confident9 Ų937.7 Ų37.76%0.05519%0.19CC..Hα-helixtrans-62.6-39.8-179.1-540000110.7Y74 I81 C82 E88 W89 I122Y74-T85 HydrophobicContact CD1-CG2 4.21Å; Y74-T85 HydrophobicContact CE1-CG2 3.8Å; I81-T85 WeakPolarHBondContact O-CB 3.46Å; I81-T85 PolarHBondContact O-N 3.04Å; I81-T85 PolarHBondContact O-OG1 2.86Å; C82-T85 PolarHBondContact O-N 2.72Å; T85-E88 PolarHBondContact O-N 2.91Å; T85-W89 HydrophobicContact CG2-CD2 3.45Å; T85-W89 VanDerWaalsContact CG2-CD2 3.45Å; T85-W89 HydrophobicContact CG2-CE3 3.66Å; T85-W89 HydrophobicContact CG2-CG 3.94Å; T85-W89 HydrophobicContact CG2-CH2 4.09Å; T85-W89 HydrophobicContact CG2-CZ2 3.89Å; T85-W89 HydrophobicContact CG2-CZ3 3.98Å; T85-W89 WeakPolarHBondContact O-CB 3.27Å; T85-W89 PolarHBondContact O-N 3.41Å; T85-I122 HydrophobicContact CG2-CD1 4.09Å
86F92.1Very high88Confident54 Ų5439.1 Ų39.124%0.23720%0.196CC..Hα-helixtrans-61.9-48.6175.6175.1-100.1000112.4C82 Q84 E88 W89 N90 C100 T102 I122C82-F86 VanDerWaalsContact O-CB 3.24Å; C82-F86 WeakPolarHBondContact O-CB 3.45Å; C82-F86 PolarHBondContact O-N 3.32Å; Q84-F86 VanDerWaalsContact C-N 3.3Å; Q84-F86 PolarHBondContact O-N 2.8Å; F86-E88 VanDerWaalsContact C-N 3.26Å; F86-E88 PolarHBondContact O-N 2.98Å; F86-W89 PolarHBondContact O-N 2.85Å; F86-N90 WeakPolarHBondContact O-CA 3.45Å; F86-N90 WeakPolarHBondContact O-CB 3.35Å; F86-N90 PolarHBondContact O-N 3.33Å; F86-C100 HydrophobicContact CE2-CB 4.25Å; F86-C100 WeakPolarHBondContact CE2-O 3.28Å; F86-T102 HydrophobicContact CB-CG2 3.39Å; F86-T102 HydrophobicContact CD1-CG2 4.38Å; F86-T102 HydrophobicContact CD2-CG2 3.54Å; F86-T102 WeakPolarHBondContact CD2-OG1 3.38Å; F86-T102 HydrophobicContact CE2-CG2 4.41Å; F86-T102 WeakPolarHBondContact CE2-OG1 3.36Å; F86-T102 HydrophobicContact CG-CG2 3.51Å; F86-I122 VanDerWaalsContact CA-CD1 3.42Å; F86-I122 HydrophobicContact CB-CD1 3.85Å; F86-I122 HydrophobicContact CD2-CD1 4.31Å
87S89.7Confident87.7Confident80 Ų8043.7 Ų43.756%0.55923%0.227SC*.Hα-helixtrans-58.7-41.9177.9-57.90000111.2S83 Q84 R91S83-S87 WeakPolarHBondContact O-CB 3.5Å; S83-S87 PolarHBondContact O-N 3.45Å; S83-S87 PolarHBondContact O-OG 3.31Å; Q84-S87 PolarHBondContact O-N 3.06Å; S87-R91 PolarHBondContact O-N 3.01Å
88E90.3Very high88Confident57 Ų5743.7 Ų43.727%0.26623%0.227SC..Hα-helixtrans-71.7-48.3179.3-174.3171-176.700112.8Q84 T85 F86 R91 K92Q84-E88 PolarHBondContact O-N 3.24Å; T85-E88 PolarHBondContact O-N 2.91Å; F86-E88 VanDerWaalsContact C-N 3.26Å; F86-E88 PolarHBondContact O-N 2.98Å; E88-R91 WeakPolarHBondContact O-CB 3.44Å; E88-R91 PolarHBondContact O-N 3.14Å; E88-K92 HydrophobicContact CG-CD 4.11Å; E88-K92 WeakPolarHBondContact O-CG 3.37Å; E88-K92 PolarHBondContact O-N 3.12Å; E88-K92 VanDerWaalsContact OE1-CE 3.3Å; E88-K92 WeakPolarHBondContact OE1-CE 3.39Å; E88-K92 IonicContact OE1-NZ 2.61Å; E88-K92 PolarHBondContact OE1-NZ 3.4Å
89W94.4Very high88.4Confident0 Ų045.3 Ų45.30%024%0.239CC..Hα-helixtrans-75.2-32.5-176.5-74.27.1000112.7T47 F50 E51 I54 Y74 T85 F86 R91 K92 F93 L120 I122 F149T47-W89 HydrophobicContact CG2-CZ2 4.46Å; F50-W89 HydrophobicContact CB-CH2 3.86Å; F50-W89 HydrophobicContact CB-CZ2 3.81Å; E51-W89 HydrophobicContact CG-CZ2 4.38Å; E51-W89 PolarHBondContact OE1-NE1 3.23Å; I54-W89 HydrophobicContact CD1-CD2 4.19Å; I54-W89 HydrophobicContact CD1-CE3 4.01Å; I54-W89 HydrophobicContact CD1-CH2 3.96Å; I54-W89 HydrophobicContact CD1-CZ2 4.15Å; I54-W89 HydrophobicContact CD1-CZ3 3.89Å; Y74-W89 HydrophobicContact CD1-CZ3 4.34Å; Y74-W89 AromaticContact CD2-CH2 3.51Å; Y74-W89 HydrophobicContact CD2-CH2 3.51Å; Y74-W89 AromaticContact CD2-CZ3 3.91Å; Y74-W89 HydrophobicContact CD2-CZ3 3.91Å; Y74-W89 AromaticContact CE2-CH2 3.96Å; Y74-W89 HydrophobicContact CE2-CH2 3.96Å; Y74-W89 AromaticContact CG-CH2 3.85Å; Y74-W89 HydrophobicContact CG-CH2 3.85Å; Y74-W89 AromaticContact CG-CZ3 3.74Å; Y74-W89 HydrophobicContact CG-CZ3 3.74Å; T85-W89 HydrophobicContact CG2-CD2 3.45Å; T85-W89 VanDerWaalsContact CG2-CD2 3.45Å; T85-W89 HydrophobicContact CG2-CE3 3.66Å; T85-W89 HydrophobicContact CG2-CG 3.94Å; T85-W89 HydrophobicContact CG2-CH2 4.09Å; T85-W89 HydrophobicContact CG2-CZ2 3.89Å; T85-W89 HydrophobicContact CG2-CZ3 3.98Å; T85-W89 WeakPolarHBondContact O-CB 3.27Å; T85-W89 PolarHBondContact O-N 3.41Å; F86-W89 PolarHBondContact O-N 2.85Å; W89-R91 VanDerWaalsContact C-N 3.32Å; W89-K92 PolarHBondContact O-N 3.32Å; W89-F93 HydrophobicContact CB-CD2 3.82Å; W89-F93 HydrophobicContact CB-CE2 4.21Å; W89-F93 AromaticContact CD1-CE2 3.86Å; W89-F93 HydrophobicContact CD2-CE2 4.21Å; W89-F93 AromaticContact CG-CD2 3.98Å; W89-F93 HydrophobicContact CG-CD2 3.98Å; W89-F93 AromaticContact CG-CE2 3.84Å; W89-F93 HydrophobicContact CG-CE2 3.84Å; W89-F93 WeakPolarHBondContact O-CB 3.34Å; W89-F93 WeakPolarHBondContact O-CD2 3.46Å; W89-F93 PolarHBondContact O-N 2.93Å; W89-L120 HydrophobicContact CB-CD2 4.25Å; W89-L120 HydrophobicContact CD2-CD2 4.34Å; W89-L120 HydrophobicContact CE3-CD1 4.09Å; W89-L120 HydrophobicContact CE3-CD2 3.64Å; W89-L120 HydrophobicContact CE3-CG 4.14Å; W89-L120 HydrophobicContact CZ3-CD1 4Å; W89-L120 HydrophobicContact CZ3-CD2 4.35Å; W89-I122 HydrophobicContact CB-CD1 4.45Å; W89-I122 HydrophobicContact CE3-CD1 3.91Å; W89-I122 HydrophobicContact CE3-CG1 4.17Å; W89-I122 HydrophobicContact CZ3-CG1 4.48Å; W89-F149 AromaticContact CH2-CD2 3.96Å; W89-F149 HydrophobicContact CH2-CD2 3.96Å; W89-F149 HydrophobicContact CH2-CE2 4.23Å; W89-F149 HydrophobicContact CZ3-CD2 4.33Å
90N93.2Very high89.1Confident65 Ų6544.2 Ų44.235%0.34824%0.235SC..Hα-helixtrans-61.1-43.9169.7-168.641.6000110.4F86 S94 C100F86-N90 WeakPolarHBondContact O-CA 3.45Å; F86-N90 WeakPolarHBondContact O-CB 3.35Å; F86-N90 PolarHBondContact O-N 3.33Å; N90-S94 WeakPolarHBondContact O-CB 3.45Å; N90-S94 PolarHBondContact O-N 3.42Å; N90-S94 PolarHBondContact O-OG 3.19Å; N90-C100 HydrophobicContact CB-CB 4.16Å
91R92.5Very high89.7Confident137 Ų13744.7 Ų44.752%0.51724%0.235SC..Hα-helixtrans-61.6-44.7173.2-177.5-17365.793.7-8.3112.4D14 S87 E88 W89D14-R91 IonicContact OD1-NH1 2.73Å; D14-R91 IonicContact OD1-NH2 2.72Å; D14-R91 IonicContact OD2-CZ 2.71Å; D14-R91 IonicContact OD2-NH1 2.91Å; D14-R91 IonicContact OD2-NH2 3.33Å; D14-R91 PolarHBondContact OD2-NH2 2.91Å; S87-R91 PolarHBondContact O-N 3.01Å; E88-R91 WeakPolarHBondContact O-CB 3.44Å; E88-R91 PolarHBondContact O-N 3.14Å; W89-R91 VanDerWaalsContact C-N 3.32Å
92K92.7Very high89.9Confident8 Ų845.4 Ų45.44%0.03524%0.241CC..Hα-helixtrans-74.9-40-174.6-74.4179.6-178177.60113.7V12 E51 E88 W89 R95 F96V12-K92 HydrophobicContact CG1-CB 4.38Å; V12-K92 HydrophobicContact CG1-CD 4.22Å; V12-K92 WeakPolarHBondContact O-CD 3.35Å; V12-K92 WeakPolarHBondContact O-CE 3.44Å; E51-K92 IonicContact OE1-NZ 3.11Å; E51-K92 PolarHBondContact OE1-NZ 3.15Å; E51-K92 IonicContact OE2-NZ 3.22Å; E51-K92 PolarHBondContact OE2-NZ 2.74Å; E51-K92 VanDerWaalsContact OE2-NZ 3.11Å; E88-K92 HydrophobicContact CG-CD 4.11Å; E88-K92 WeakPolarHBondContact O-CG 3.37Å; E88-K92 PolarHBondContact O-N 3.12Å; E88-K92 VanDerWaalsContact OE1-CE 3.3Å; E88-K92 WeakPolarHBondContact OE1-CE 3.39Å; E88-K92 IonicContact OE1-NZ 2.61Å; E88-K92 PolarHBondContact OE1-NZ 3.4Å; W89-K92 PolarHBondContact O-N 3.32Å; K92-R95 PolarHBondContact O-NE 3.47Å; K92-R95 PolarHBondContact O-NH2 3.48Å; K92-F96 WeakPolarHBondContact O-CE2 3.4Å
93F93.5Very high89.7Confident0 Ų045.4 Ų45.40%024%0.241CC..Hα-helixtrans-111-21.4-165.1-61.1-67.1000115.8V12 E51 I54 V55 L58 W89 R95 F96 I98 L120V12-F93 HydrophobicContact CG1-CE1 3.85Å; V12-F93 HydrophobicContact CG1-CZ 3.95Å; V12-F93 HydrophobicContact CG2-CE1 4.46Å; E51-F93 HydrophobicContact CB-CZ 4.16Å; E51-F93 HydrophobicContact CG-CE2 4.37Å; E51-F93 HydrophobicContact CG-CZ 4.18Å; I54-F93 HydrophobicContact CB-CE1 4.03Å; I54-F93 HydrophobicContact CB-CZ 3.94Å; I54-F93 HydrophobicContact CD1-CD2 4.23Å; I54-F93 HydrophobicContact CD1-CE2 3.6Å; I54-F93 HydrophobicContact CD1-CZ 3.83Å; I54-F93 HydrophobicContact CG1-CZ 4.49Å; I54-F93 HydrophobicContact CG2-CD1 3.73Å; I54-F93 HydrophobicContact CG2-CD2 4.43Å; I54-F93 HydrophobicContact CG2-CE1 3.53Å; I54-F93 HydrophobicContact CG2-CE2 4.26Å; I54-F93 HydrophobicContact CG2-CG 4.2Å; I54-F93 HydrophobicContact CG2-CZ 3.82Å; V55-F93 HydrophobicContact CG2-CE1 4.17Å; L58-F93 HydrophobicContact CD1-CD1 3.97Å; L58-F93 HydrophobicContact CD1-CE1 4.47Å; W89-F93 HydrophobicContact CB-CD2 3.82Å; W89-F93 HydrophobicContact CB-CE2 4.21Å; W89-F93 AromaticContact CD1-CE2 3.86Å; W89-F93 HydrophobicContact CD2-CE2 4.21Å; W89-F93 AromaticContact CG-CD2 3.98Å; W89-F93 HydrophobicContact CG-CD2 3.98Å; W89-F93 AromaticContact CG-CE2 3.84Å; W89-F93 HydrophobicContact CG-CE2 3.84Å; W89-F93 WeakPolarHBondContact O-CB 3.34Å; W89-F93 WeakPolarHBondContact O-CD2 3.46Å; W89-F93 PolarHBondContact O-N 2.93Å; F93-R95 PolarHBondContact O-N 3.17Å; F93-F96 HydrophobicContact CD1-CD2 4.14Å; F93-F96 HydrophobicContact CD1-CE2 4.3Å; F93-F96 PolarHBondContact O-N 2.96Å; F93-I98 HydrophobicContact CB-CG2 3.74Å; F93-I98 VanDerWaalsContact O-CG2 3.3Å; F93-I98 WeakPolarHBondContact O-CG2 3.48Å; F93-L120 HydrophobicContact CD2-CD2 4.27Å
94S87.1Confident89.5Confident58 Ų5844.4 Ų44.441%0.40623%0.233SC..G310 helixtrans-52.5-32.8-178.453.90000114.2N90 F96 S97N90-S94 WeakPolarHBondContact O-CB 3.45Å; N90-S94 PolarHBondContact O-N 3.42Å; N90-S94 PolarHBondContact O-OG 3.19Å; S94-F96 PolarHBondContact O-N 2.79Å; S94-S97 PolarHBondContact O-N 2.9Å
95R88.4Confident88.6Confident119 Ų11942.9 Ų42.945%0.44924%0.239SC..G310 helixtrans-64.1-12.7174.964-179.6163.5175.7-2.7115.7S11 K92 F93S11-R95 PolarHBondContact O-NH2 3.33Å; S11-R95 VanDerWaalsContact OG-CZ 3.32Å; S11-R95 PolarHBondContact OG-NH1 3.02Å; S11-R95 PolarHBondContact OG-NH2 2.86Å; K92-R95 PolarHBondContact O-NE 3.47Å; K92-R95 PolarHBondContact O-NH2 3.48Å; F93-R95 PolarHBondContact O-N 3.17Å
96F88.3Confident86.8Confident32 Ų3244.1 Ų44.114%0.1425%0.246CC..G310 helixtrans-100.323.5179.2-56-71.2000112.8R8 F9 V12 L58 K92 F93 S94 I98R8-F96 HydrophobicContact CG-CE1 4.23Å; F9-F96 AromaticContact CD1-CE1 3.98Å; F9-F96 HydrophobicContact CD1-CE1 3.98Å; F9-F96 HydrophobicContact CD1-CE2 4.36Å; F9-F96 AromaticContact CD1-CZ 3.79Å; F9-F96 HydrophobicContact CD1-CZ 3.79Å; F9-F96 HydrophobicContact CE1-CD1 4.19Å; F9-F96 AromaticContact CE1-CE1 3.88Å; F9-F96 HydrophobicContact CE1-CE1 3.88Å; F9-F96 HydrophobicContact CE1-CZ 4.08Å; V12-F96 HydrophobicContact CG2-CE2 3.75Å; V12-F96 HydrophobicContact CG2-CZ 3.94Å; L58-F96 HydrophobicContact CD1-CB 4Å; L58-F96 HydrophobicContact CD1-CD2 3.95Å; L58-F96 HydrophobicContact CD1-CG 4.08Å; L58-F96 HydrophobicContact CD2-CB 4.23Å; K92-F96 WeakPolarHBondContact O-CE2 3.4Å; F93-F96 HydrophobicContact CD1-CD2 4.14Å; F93-F96 HydrophobicContact CD1-CE2 4.3Å; F93-F96 PolarHBondContact O-N 2.96Å; S94-F96 PolarHBondContact O-N 2.79Å; F96-I98 PolarHBondContact O-N 3.14Å
97S85Confident85.3Confident95 Ų9542.8 Ų42.866%0.66424%0.243SC*.THydrogen-bonded Turntrans6218179.5-53.60000115.1S94 Q118S94-S97 PolarHBondContact O-N 2.9Å; S97-Q118 PolarHBondContact O-OE1 2.92Å
98I90Very high83.7Confident6 Ų647.2 Ų47.23%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-92.9127.5172.2-169165.7000109.8F70 I72 F93 F96 C100 Q118 L120F70-I98 HydrophobicContact CE2-CD1 4.15Å; F70-I98 HydrophobicContact CZ-CD1 4.48Å; I72-I98 HydrophobicContact CD1-CD1 4.22Å; F93-I98 HydrophobicContact CB-CG2 3.74Å; F93-I98 VanDerWaalsContact O-CG2 3.3Å; F93-I98 WeakPolarHBondContact O-CG2 3.48Å; F96-I98 PolarHBondContact O-N 3.14Å; I98-C100 PolarHBondContact O-N 2.88Å; I98-Q118 HydrophobicContact CB-CB 4.34Å; I98-Q118 HydrophobicContact CG1-CB 4.05Å; I98-L120 HydrophobicContact CD1-CB 3.74Å; I98-L120 HydrophobicContact CG1-CB 3.96Å
99S90.3Very high82.4Confident41 Ų4147.8 Ų47.829%0.28726%0.257SS..EExtended strand (participates in β ladder)trans-79106.8174.6-172.80000109.2Q118 V119 L120S99-Q118 PolarHBondContact N-O 2.91Å; S99-V119 WeakPolarHBondContact O-CA 3.33Å; S99-L120 PolarHBondContact O-N 3.49Å
100C91.7Very high81.1Confident11 Ų1149.2 Ų49.27%0.07427%0.265CS..EExtended strand (participates in β ladder)trans-80.3122172.9-65.50000108.6F86 N90 I98F86-C100 HydrophobicContact CE2-CB 4.25Å; F86-C100 WeakPolarHBondContact CE2-O 3.28Å; N90-C100 HydrophobicContact CB-CB 4.16Å; I98-C100 PolarHBondContact O-N 2.88Å
101L90.7Very high80Confident37 Ų3748.8 Ų48.819%0.19426%0.263CS..EExtended strand (participates in β ladder)trans-126.5146.2-179.6-59176.5000110.1V110 L115 V119 L120 L121 I122L101-V110 HydrophobicContact CB-CG1 4.48Å; L101-V110 HydrophobicContact CD1-CG1 3.67Å; L101-L115 HydrophobicContact CD1-CD1 3.54Å; L101-V119 HydrophobicContact CD1-CG1 3.74Å; L101-V119 HydrophobicContact CG-CG1 4.3Å; L101-L120 PolarHBondContact N-O 2.88Å; L101-L121 HydrophobicContact CB-CD1 4.26Å; L101-I122 PolarHBondContact O-N 3.37Å
102T89.4Confident79Confident34 Ų3442.7 Ų42.721%0.20924%0.241CC..EExtended strand (participates in β ladder)trans-115.2125.7172.717.80000110.2F86 S107 I122F86-T102 HydrophobicContact CB-CG2 3.39Å; F86-T102 HydrophobicContact CD1-CG2 4.38Å; F86-T102 HydrophobicContact CD2-CG2 3.54Å; F86-T102 WeakPolarHBondContact CD2-OG1 3.38Å; F86-T102 HydrophobicContact CE2-CG2 4.41Å; F86-T102 WeakPolarHBondContact CE2-OG1 3.36Å; F86-T102 HydrophobicContact CG-CG2 3.51Å; T102-S107 WeakPolarHBondContact O-CB 3.5Å; T102-I122 CarbonylContact C-O 3.52Å; T102-I122 WeakPolarHBondContact CA-O 3.48Å; T102-I122 HydrophobicContact CG2-CB 3.87Å; T102-I122 HydrophobicContact CG2-CG2 3.88Å
103S85.2Confident77.8Confident0 Ų044.5 Ų44.50%025%0.249CC..EExtended strand (participates in β ladder)trans-120.6103.2172.1-167.10000109.9S107 I122 T123 K127S103-S107 VanDerWaalsContact CA-OG 3.3Å; S103-S107 WeakPolarHBondContact CA-OG 3.34Å; S103-I122 PolarHBondContact N-O 2.94Å; S103-T123 VanDerWaalsContact O-CA 3.23Å; S103-T123 WeakPolarHBondContact O-CA 3.36Å; S103-T123 VanDerWaalsContact O-CB 3.24Å; S103-T123 WeakPolarHBondContact O-CB 3.4Å; S103-T123 PolarHBondContact O-OG1 3.44Å; S103-K127 WeakPolarHBondContact O-CG 3.33Å; S103-K127 VanDerWaalsContact OG-CE 3.26Å; S103-K127 WeakPolarHBondContact OG-CE 3.43Å; S103-K127 WeakPolarHBondContact OG-CG 3.48Å
104T80Confident76.5Confident8 Ų850.3 Ų50.35%0.04928%0.28CS..SBendtrans-124.4178.1174.469.40000109.9K79 C82 D106 S107 T124 K127K79-T104 HydrophobicContact CB-CG2 4.41Å; K79-T104 HydrophobicContact CG-CG2 4.19Å; C82-T104 HydrophobicContact CB-CG2 3.96Å; T104-D106 PolarHBondContact O-N 3.35Å; T104-D106 VanDerWaalsContact O-N 3.08Å; T104-D106 PolarHBondContact OG1-N 2.58Å; T104-S107 PolarHBondContact N-OG 3.02Å; T104-S107 PolarHBondContact O-N 3.37Å; T104-S107 PolarHBondContact O-OG 2.87Å; T104-T124 HydrophobicContact CG2-CG2 4.42Å; T104-K127 VanDerWaalsContact O-CD 3.25Å; T104-K127 WeakPolarHBondContact O-CD 3.4Å; T104-K127 WeakPolarHBondContact O-CE 3.33Å; T104-K127 PolarHBondContact O-NZ 3.05Å; T104-K127 VanDerWaalsContact O-NZ 3.15Å
105G65.4Low75.6Confident49 Ų4949.9 Ų49.951%0.50527%0.273SS..THydrogen-bonded Turntrans-57.3-18.9174.900000114.8
106D53.8Low74.8Confident35 Ų3551.4 Ų51.419%0.18729%0.29CS..THydrogen-bonded Turntrans-105.1-9.5-177.2-45.5-43.8000113.2K79 T104 G1331 L1338K79-D106 VanDerWaalsContact CD-OD2 3.28Å; K79-D106 WeakPolarHBondContact CD-OD2 3.12Å; K79-D106 WeakPolarHBondContact CE-OD2 3.2Å; K79-D106 IonicContact NZ-OD1 2.84Å; K79-D106 PolarHBondContact NZ-OD1 3.2Å; K79-D106 IonicContact NZ-OD2 3.82Å; K79-D106 PolarHBondContact NZ-OD2 3.24Å; T104-D106 PolarHBondContact O-N 3.35Å; T104-D106 VanDerWaalsContact O-N 3.08Å; T104-D106 PolarHBondContact OG1-N 2.58Å; D106-G1331 WeakPolarHBondContact OD2-CA 3.36Å; D106-G1331 VanDerWaalsContact OD2-O 3.07Å; D106-L1338 HydrophobicContact CB-CD1 4.44Å
107S60.1Low74.6Confident27 Ų2752 Ų5219%0.18930%0.298CS..SBendtrans-79.4145.2176.763.10000110.6T102 S103 T104T102-S107 WeakPolarHBondContact O-CB 3.5Å; S103-S107 VanDerWaalsContact CA-OG 3.3Å; S103-S107 WeakPolarHBondContact CA-OG 3.34Å; T104-S107 PolarHBondContact N-OG 3.02Å; T104-S107 PolarHBondContact O-N 3.37Å; T104-S107 PolarHBondContact O-OG 2.87Å
108E56.6Low74.8Confident172 Ų17248.3 Ų48.380%0.80427%0.27SS*.PPolyproline II helixtrans-53.7161167-66-177.1175.300111.1V110E108-V110 PolarHBondContact O-N 2.99Å; E108-V110 VanDerWaalsContact O-N 3.16Å
109F62.1Low74.9Confident70 Ų7048.1 Ų48.131%0.30727%0.27SS..PPolyproline II helixtrans-59.8122.2175.3178.7-97.3000109.1D111 T134 F135F109-D111 HydrophobicContact CD1-CB 4.37Å; F109-D111 HydrophobicContact CE1-CB 3.89Å; F109-T134 HydrophobicContact CE2-CG2 3.67Å; F109-T134 HydrophobicContact CZ-CG2 4.23Å; F109-F135 HydrophobicContact CE1-CE1 4.36Å; F109-F135 HydrophobicContact CE1-CZ 4.39Å; F109-F135 HydrophobicContact CE2-CE1 4.38Å; F109-F135 HydrophobicContact CE2-CZ 4.09Å; F109-F135 HydrophobicContact CZ-CD1 4.48Å; F109-F135 AromaticContact CZ-CE1 3.56Å; F109-F135 HydrophobicContact CZ-CE1 3.56Å; F109-F135 AromaticContact CZ-CZ 3.57Å; F109-F135 HydrophobicContact CZ-CZ 3.57Å
110V67Low75.1Confident29 Ų2946.1 Ų46.118%0.17626%0.256CS..  trans-97.6108.3176.3-176.90000106.6L101 E108 I112L101-V110 HydrophobicContact CB-CG1 4.48Å; L101-V110 HydrophobicContact CD1-CG1 3.67Å; E108-V110 PolarHBondContact O-N 2.99Å; E108-V110 VanDerWaalsContact O-N 3.16Å; V110-I112 HydrophobicContact CB-CG1 4.44Å; V110-I112 HydrophobicContact CG1-CG1 3.92Å; V110-I112 PolarHBondContact O-N 3.46Å
111D70Confident75.2Confident57 Ų5745.7 Ų45.731%0.30525%0.253SS..  trans-75.193.6172.1-174.10.8000109.7F109 Q113 N114F109-D111 HydrophobicContact CD1-CB 4.37Å; F109-D111 HydrophobicContact CE1-CB 3.89Å; D111-Q113 VanDerWaalsContact C-N 3.28Å; D111-Q113 WeakPolarHBondContact OD1-CB 3.47Å; D111-Q113 PolarHBondContact OD1-N 2.97Å; D111-N114 PolarHBondContact OD2-ND2 2.8Å
112I71.3Confident75.4Confident8 Ų844 Ų444%0.04124%0.244CC..  trans-77.2-18.2-179.3-57.5154.4000110.9I71 V110 L121 T131 I141I71-I112 HydrophobicContact CD1-CG2 3.87Å; V110-I112 HydrophobicContact CB-CG1 4.44Å; V110-I112 HydrophobicContact CG1-CG1 3.92Å; V110-I112 PolarHBondContact O-N 3.46Å; I112-L121 HydrophobicContact CD1-CD1 4.29Å; I112-L121 HydrophobicContact CD1-CD2 3.59Å; I112-T131 HydrophobicContact CD1-CG2 4.2Å; I112-I141 HydrophobicContact CB-CD1 4.32Å; I112-I141 HydrophobicContact CG2-CD1 4.43Å; I112-I141 HydrophobicContact CG2-CG1 4.41Å
113Q67.1Low75.6Confident46 Ų4642.3 Ų42.322%0.21523%0.234CC..THydrogen-bonded Turntrans-72.9-37.8-173.7-65.9-172.1-18.900112.3D111 L115 F135 D137 N140 I141D111-Q113 VanDerWaalsContact C-N 3.28Å; D111-Q113 WeakPolarHBondContact OD1-CB 3.47Å; D111-Q113 PolarHBondContact OD1-N 2.97Å; Q113-L115 VanDerWaalsContact C-N 3.31Å; Q113-L115 PolarHBondContact O-N 3.31Å; Q113-F135 VanDerWaalsContact CD-CD1 3.4Å; Q113-F135 HydrophobicContact CG-CD1 3.81Å; Q113-F135 HydrophobicContact CG-CE1 3.75Å; Q113-F135 HydrophobicContact CG-CG 4.47Å; Q113-F135 HydrophobicContact CG-CZ 4.37Å; Q113-D137 PolarHBondContact NE2-O 3.02Å; Q113-N140 PolarHBondContact O-ND2 2.96Å; Q113-I141 HydrophobicContact CG-CD1 3.88Å; Q113-I141 HydrophobicContact CG-CG1 4.17Å
114N66.4Low75.8Confident122 Ų12242.6 Ų42.665%0.65224%0.235SC*.THydrogen-bonded Turntrans-91.317.2-173.3-70.6-32.6000114.1D111D111-N114 PolarHBondContact OD2-ND2 2.8Å
115L69.2Low76.3Confident50 Ų5042.5 Ų42.526%0.26224%0.235SC..  trans-94.3113.6177.6-63.2173.6000110.8L101 Q113 S117 V119L101-L115 HydrophobicContact CD1-CD1 3.54Å; Q113-L115 VanDerWaalsContact C-N 3.31Å; Q113-L115 PolarHBondContact O-N 3.31Å; L115-S117 PolarHBondContact O-N 3.47Å; L115-V119 HydrophobicContact CB-CG2 3.98Å; L115-V119 HydrophobicContact CD1-CG2 3.62Å; L115-V119 HydrophobicContact CG-CG2 4.45Å
116D72.1Confident77.3Confident150 Ų15043 Ų4380%0.80222%0.224SC*.  trans-82.33.4173.4-69.5-29.9000113.4
117S83.2Confident78.8Confident44 Ų4443.3 Ų43.331%0.30822%0.224SC..SBendtrans-106.9168.6-177.560.80000112.4L115L115-S117 PolarHBondContact O-N 3.47Å
118Q89.4Confident80.2Confident18 Ų1842.3 Ų42.38%0.08422%0.216CC..EExtended strand (participates in β ladder)trans-70.3134.7171.4-55.680.15700109.1Y61 F70 S97 I98 S99Y61-Q118 HydrophobicContact CE1-CG 4.31Å; Y61-Q118 PolarHBondContact OH-NE2 3.26Å; F70-Q118 HydrophobicContact CD1-CB 4.36Å; F70-Q118 HydrophobicContact CD1-CG 3.72Å; F70-Q118 HydrophobicContact CE1-CB 3.98Å; F70-Q118 HydrophobicContact CE1-CG 3.34Å; F70-Q118 HydrophobicContact CE2-CB 4.2Å; F70-Q118 HydrophobicContact CE2-CG 4.45Å; F70-Q118 HydrophobicContact CG-CG 4.43Å; F70-Q118 HydrophobicContact CZ-CB 3.88Å; F70-Q118 HydrophobicContact CZ-CG 3.75Å; F70-Q118 WeakPolarHBondContact O-CA 3.1Å; S97-Q118 PolarHBondContact O-OE1 2.92Å; I98-Q118 HydrophobicContact CB-CB 4.34Å; I98-Q118 HydrophobicContact CG1-CB 4.05Å; S99-Q118 PolarHBondContact N-O 2.91Å
119V91.5Very high81.6Confident2 Ų234.7 Ų34.71%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-121.4132-174.9-179.20000111.1F70 I71 I72 S99 L101 L115 L121F70-V119 PolarHBondContact O-N 2.82Å; I71-V119 CarbonylContact C-O 3.53Å; I71-V119 WeakPolarHBondContact CA-O 3.34Å; I71-V119 HydrophobicContact CG1-CB 4.35Å; I72-V119 PolarHBondContact N-O 3.46Å; S99-V119 WeakPolarHBondContact O-CA 3.33Å; L101-V119 HydrophobicContact CD1-CG1 3.74Å; L101-V119 HydrophobicContact CG-CG1 4.3Å; L115-V119 HydrophobicContact CB-CG2 3.98Å; L115-V119 HydrophobicContact CD1-CG2 3.62Å; L115-V119 HydrophobicContact CG-CG2 4.45Å; V119-L121 HydrophobicContact CG1-CB 4.42Å
120L94.6Very high82.5Confident0 Ų033 Ų330%018%0.178CC..EExtended strand (participates in β ladder)trans-110.399.9166.6177.658.2000108.8I54 I72 W89 F93 I98 S99 L101I54-L120 HydrophobicContact CD1-CD1 4.35Å; I54-L120 HydrophobicContact CD1-CD2 4.16Å; I72-L120 HydrophobicContact CB-CD1 3.74Å; I72-L120 HydrophobicContact CG2-CD1 3.44Å; I72-L120 VanDerWaalsContact CG2-CD1 3.44Å; I72-L120 WeakPolarHBondContact O-CA 3.32Å; W89-L120 HydrophobicContact CB-CD2 4.25Å; W89-L120 HydrophobicContact CD2-CD2 4.34Å; W89-L120 HydrophobicContact CE3-CD1 4.09Å; W89-L120 HydrophobicContact CE3-CD2 3.64Å; W89-L120 HydrophobicContact CE3-CG 4.14Å; W89-L120 HydrophobicContact CZ3-CD1 4Å; W89-L120 HydrophobicContact CZ3-CD2 4.35Å; F93-L120 HydrophobicContact CD2-CD2 4.27Å; I98-L120 HydrophobicContact CD1-CB 3.74Å; I98-L120 HydrophobicContact CG1-CB 3.96Å; S99-L120 PolarHBondContact O-N 3.49Å; L101-L120 PolarHBondContact N-O 2.88Å
121L93.3Very high83.1Confident2 Ų232.1 Ų32.11%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-93.7116.7-178.2-178.667.9000110.9I72 I73 Y74 L101 I112 V119 L128I72-L121 PolarHBondContact O-N 2.96Å; I73-L121 CarbonylContact C-O 3.53Å; I73-L121 WeakPolarHBondContact CA-O 3.38Å; I73-L121 HydrophobicContact CG1-CB 4.38Å; I73-L121 HydrophobicContact CG1-CD2 4.31Å; Y74-L121 PolarHBondContact N-O 2.62Å; L101-L121 HydrophobicContact CB-CD1 4.26Å; I112-L121 HydrophobicContact CD1-CD1 4.29Å; I112-L121 HydrophobicContact CD1-CD2 3.59Å; V119-L121 HydrophobicContact CG1-CB 4.42Å; L121-L128 HydrophobicContact CD2-CD1 4.37Å
122I94.7Very high83.6Confident0 Ų029.7 Ų29.70%016%0.16CC..EExtended strand (participates in β ladder)trans-101.8121.9175.1-64170.8000108.2Y74 C82 T85 F86 W89 L101 T102 S103Y74-I122 HydrophobicContact CD1-CB 4.43Å; Y74-I122 HydrophobicContact CD1-CG1 4.27Å; Y74-I122 HydrophobicContact CD1-CG2 3.92Å; Y74-I122 HydrophobicContact CE1-CG2 4.42Å; C82-I122 HydrophobicContact CB-CG2 3.66Å; C82-I122 WeakPolarHBondContact O-CG2 3.48Å; T85-I122 HydrophobicContact CG2-CD1 4.09Å; F86-I122 VanDerWaalsContact CA-CD1 3.42Å; F86-I122 HydrophobicContact CB-CD1 3.85Å; F86-I122 HydrophobicContact CD2-CD1 4.31Å; W89-I122 HydrophobicContact CB-CD1 4.45Å; W89-I122 HydrophobicContact CE3-CD1 3.91Å; W89-I122 HydrophobicContact CE3-CG1 4.17Å; W89-I122 HydrophobicContact CZ3-CG1 4.48Å; L101-I122 PolarHBondContact O-N 3.37Å; T102-I122 CarbonylContact C-O 3.52Å; T102-I122 WeakPolarHBondContact CA-O 3.48Å; T102-I122 HydrophobicContact CG2-CB 3.87Å; T102-I122 HydrophobicContact CG2-CG2 3.88Å; S103-I122 PolarHBondContact N-O 2.94Å
123T93.5Very high83.8Confident0 Ų031.1 Ų31.10%017%0.166CC..EExtended strand (participates in β ladder)trans-151.8165.6-170.4-168.80000113.4I73 Y74 I75 A76 C82 S103 L128I73-T123 HydrophobicContact CG2-CG2 4.18Å; Y74-T123 PolarHBondContact O-N 2.82Å; I75-T123 WeakPolarHBondContact CA-O 3.38Å; I75-T123 HydrophobicContact CG1-CG2 4.43Å; A76-T123 PolarHBondContact N-O 3.41Å; C82-T123 PolarHBondContact SG-O 2.72Å; S103-T123 VanDerWaalsContact O-CA 3.23Å; S103-T123 WeakPolarHBondContact O-CA 3.36Å; S103-T123 VanDerWaalsContact O-CB 3.24Å; S103-T123 WeakPolarHBondContact O-CB 3.4Å; S103-T123 PolarHBondContact O-OG1 3.44Å; T123-L128 HydrophobicContact CG2-CB 3.71Å; T123-L128 HydrophobicContact CG2-CD1 4.33Å; T123-L128 HydrophobicContact CG2-CD2 3.88Å; T123-L128 HydrophobicContact CG2-CG 4.19Å
124T90.9Very high84Confident6 Ų632.4 Ų32.44%0.03718%0.177CC..  trans-95.9157169.777.50000110.5A76 K79 T104 E126 K127 L128A76-T124 WeakPolarHBondContact O-CA 3.5Å; K79-T124 HydrophobicContact CG-CG2 3.99Å; T104-T124 HydrophobicContact CG2-CG2 4.42Å; T124-E126 VanDerWaalsContact C-N 3.29Å; T124-E126 WeakPolarHBondContact CB-OE2 3.41Å; T124-E126 PolarHBondContact O-N 3.42Å; T124-E126 PolarHBondContact OG1-OE2 3.44Å; T124-K127 PolarHBondContact O-N 3.18Å; T124-K127 PolarHBondContact OG1-N 3.13Å; T124-L128 WeakPolarHBondContact O-CB 3.36Å; T124-L128 PolarHBondContact O-N 2.91Å
125P89.9Confident84.1Confident5 Ų527.3 Ų27.33%0.03215%0.149CC..Hα-helixtrans-55-42.8-179.7-23.431.2000113.1I75 A76 N129 L165 L168I75-P125 HydrophobicContact CG2-CB 4.32Å; I75-P125 HydrophobicContact CG2-CG 3.65Å; A76-P125 WeakPolarHBondContact O-CD 3.43Å; P125-N129 VanDerWaalsContact O-CB 3.27Å; P125-N129 WeakPolarHBondContact O-CB 3.23Å; P125-N129 PolarHBondContact O-N 3.28Å; P125-L165 HydrophobicContact CB-CB 4.37Å; P125-L165 HydrophobicContact CB-CD1 4.15Å; P125-L165 HydrophobicContact CG-CD1 4.04Å; P125-L168 HydrophobicContact CB-CD2 4.5Å
126E86.4Confident83.8Confident59 Ų5930.6 Ų30.628%0.27616%0.158SC..Hα-helixtrans-70.6-41.3-176.3-50.879.4-176.800111.6T124 N129 S130T124-E126 VanDerWaalsContact C-N 3.29Å; T124-E126 WeakPolarHBondContact CB-OE2 3.41Å; T124-E126 PolarHBondContact O-N 3.42Å; T124-E126 PolarHBondContact OG1-OE2 3.44Å; E126-N129 PolarHBondContact O-N 3.24Å; E126-S130 WeakPolarHBondContact O-CB 3.44Å; E126-S130 PolarHBondContact O-N 2.83Å
127K86.1Confident83.6Confident42 Ų4227.9 Ų27.918%0.18314%0.143CC..Hα-helixtrans-68.3-45.4177.3-178.665.1173.5-154.50110.3S103 T104 T124 N129 S130 T131S103-K127 WeakPolarHBondContact O-CG 3.33Å; S103-K127 VanDerWaalsContact OG-CE 3.26Å; S103-K127 WeakPolarHBondContact OG-CE 3.43Å; S103-K127 WeakPolarHBondContact OG-CG 3.48Å; T104-K127 VanDerWaalsContact O-CD 3.25Å; T104-K127 WeakPolarHBondContact O-CD 3.4Å; T104-K127 WeakPolarHBondContact O-CE 3.33Å; T104-K127 PolarHBondContact O-NZ 3.05Å; T104-K127 VanDerWaalsContact O-NZ 3.15Å; T124-K127 PolarHBondContact O-N 3.18Å; T124-K127 PolarHBondContact OG1-N 3.13Å; K127-N129 VanDerWaalsContact C-N 3.31Å; K127-N129 PolarHBondContact O-N 3.3Å; K127-S130 PolarHBondContact O-N 3.08Å; K127-T131 WeakPolarHBondContact O-CB 3.34Å; K127-T131 PolarHBondContact O-N 2.98Å; K127-T131 PolarHBondContact O-OG1 3.48Å
128L87.8Confident83.2Confident6 Ų626.6 Ų26.63%0.03113%0.133CC..Hα-helixtrans-59.9-44.2176.1-176.754.4000111.1I73 I75 L121 T123 T124 S130 T131 V132 L168I73-L128 HydrophobicContact CG2-CD2 3.73Å; I75-L128 HydrophobicContact CD1-CD2 3.77Å; I75-L128 HydrophobicContact CG1-CD2 3.94Å; L121-L128 HydrophobicContact CD2-CD1 4.37Å; T123-L128 HydrophobicContact CG2-CB 3.71Å; T123-L128 HydrophobicContact CG2-CD1 4.33Å; T123-L128 HydrophobicContact CG2-CD2 3.88Å; T123-L128 HydrophobicContact CG2-CG 4.19Å; T124-L128 WeakPolarHBondContact O-CB 3.36Å; T124-L128 PolarHBondContact O-N 2.91Å; L128-S130 PolarHBondContact O-N 3.15Å; L128-T131 PolarHBondContact O-N 3.44Å; L128-V132 HydrophobicContact CD1-CG2 4.23Å; L128-V132 WeakPolarHBondContact O-CB 3.28Å; L128-V132 VanDerWaalsContact O-CG2 3.24Å; L128-V132 WeakPolarHBondContact O-CG2 3.5Å; L128-V132 PolarHBondContact O-N 3.14Å; L128-L168 HydrophobicContact CB-CD2 4.11Å; L128-L168 HydrophobicContact CD2-CD1 4.45Å; L128-L168 HydrophobicContact CD2-CD2 3.96Å; L128-L168 HydrophobicContact CG-CD1 4.21Å; L128-L168 HydrophobicContact CG-CD2 4.08Å
129N86.2Confident82.7Confident12 Ų1228.3 Ų28.36%0.06415%0.145CC..Hα-helixtrans-58.3-49.3174.7-167.349.5000110.7P125 E126 K127 T131 V132 K133 I164 R171P125-N129 VanDerWaalsContact O-CB 3.27Å; P125-N129 WeakPolarHBondContact O-CB 3.23Å; P125-N129 PolarHBondContact O-N 3.28Å; E126-N129 PolarHBondContact O-N 3.24Å; K127-N129 VanDerWaalsContact C-N 3.31Å; K127-N129 PolarHBondContact O-N 3.3Å; N129-T131 PolarHBondContact O-N 3.06Å; N129-V132 WeakPolarHBondContact O-CB 3.44Å; N129-V132 PolarHBondContact O-N 2.84Å; N129-K133 VanDerWaalsContact O-CG 3.28Å; N129-K133 WeakPolarHBondContact O-CG 3.31Å; N129-K133 PolarHBondContact O-N 2.85Å; N129-K133 VanDerWaalsContact O-N 3.1Å; N129-I164 HydrophobicContact CB-CG2 3.96Å; N129-R171 PolarHBondContact OD1-NH1 2.95Å
130S81.5Confident82Confident36 Ų3631.3 Ų31.325%0.25216%0.161SC..Hα-helixtrans-61.3-40.5177.3-172.20000113.3E126 K127 L128 V132 K133 T134 N516E126-S130 WeakPolarHBondContact O-CB 3.44Å; E126-S130 PolarHBondContact O-N 2.83Å; K127-S130 PolarHBondContact O-N 3.08Å; L128-S130 PolarHBondContact O-N 3.15Å; S130-V132 VanDerWaalsContact C-N 3.34Å; S130-K133 WeakPolarHBondContact O-CB 3.26Å; S130-K133 PolarHBondContact O-N 2.9Å; S130-T134 PolarHBondContact O-N 3.12Å; S130-T134 PolarHBondContact O-OG1 2.8Å; S130-N516 PolarHBondContact OG-ND2 3.08Å
131T80.2Confident81.4Confident10 Ų1031.8 Ų31.86%0.06116%0.163CC..Hα-helixtrans-63.9-42.3177.9-64.80000110.5I112 K127 L128 N129 K133 T134 F135I112-T131 HydrophobicContact CD1-CG2 4.2Å; K127-T131 WeakPolarHBondContact O-CB 3.34Å; K127-T131 PolarHBondContact O-N 2.98Å; K127-T131 PolarHBondContact O-OG1 3.48Å; L128-T131 PolarHBondContact O-N 3.44Å; N129-T131 PolarHBondContact O-N 3.06Å; T131-K133 PolarHBondContact O-N 2.95Å; T131-T134 WeakPolarHBondContact O-CB 3.36Å; T131-T134 PolarHBondContact O-N 2.83Å; T131-T134 VanDerWaalsContact O-N 3.08Å; T131-F135 HydrophobicContact CG2-CD2 4.02Å; T131-F135 HydrophobicContact CG2-CE2 3.41Å; T131-F135 VanDerWaalsContact CG2-CE2 3.41Å; T131-F135 HydrophobicContact CG2-CZ 4.37Å; T131-F135 WeakPolarHBondContact O-CD2 3.13Å; T131-F135 PolarHBondContact O-N 3.37Å
132V79.9Confident81.1Confident5 Ų532.4 Ų32.43%0.0317%0.165CC..Hα-helixtrans-60.2-34.4173.9167.20000111.6L128 N129 S130 T134 L138 W142 L433L128-V132 HydrophobicContact CD1-CG2 4.23Å; L128-V132 WeakPolarHBondContact O-CB 3.28Å; L128-V132 VanDerWaalsContact O-CG2 3.24Å; L128-V132 WeakPolarHBondContact O-CG2 3.5Å; L128-V132 PolarHBondContact O-N 3.14Å; N129-V132 WeakPolarHBondContact O-CB 3.44Å; N129-V132 PolarHBondContact O-N 2.84Å; S130-V132 VanDerWaalsContact C-N 3.34Å; V132-T134 VanDerWaalsContact C-N 3.31Å; V132-T134 PolarHBondContact O-N 3.45Å; V132-L138 HydrophobicContact CB-CD2 4.42Å; V132-L138 HydrophobicContact CG1-CD1 3.58Å; V132-L138 HydrophobicContact CG1-CD2 4.2Å; V132-L138 HydrophobicContact CG2-CD2 4.37Å; V132-W142 HydrophobicContact CG1-CZ2 4.24Å; V132-W142 HydrophobicContact CG2-CH2 3.99Å; V132-W142 HydrophobicContact CG2-CZ2 3.99Å; V132-L433 HydrophobicContact CG1-CD1 4.35Å; V132-L433 HydrophobicContact CG1-CD2 4.43Å
133K76.8Confident80.7Confident39 Ų3938 Ų3817%0.1720%0.195CC..Hα-helixtrans-70.5-23.6175.5-58.5-164.8-177.4177.90114.1N129 S130 T131 F513 N516N129-K133 VanDerWaalsContact O-CG 3.28Å; N129-K133 WeakPolarHBondContact O-CG 3.31Å; N129-K133 PolarHBondContact O-N 2.85Å; N129-K133 VanDerWaalsContact O-N 3.1Å; S130-K133 WeakPolarHBondContact O-CB 3.26Å; S130-K133 PolarHBondContact O-N 2.9Å; T131-K133 PolarHBondContact O-N 2.95Å; K133-F513 HydrophobicContact CB-CD1 4.33Å; K133-F513 HydrophobicContact CB-CE1 3.47Å; K133-F513 VanDerWaalsContact CB-CE1 3.47Å; K133-F513 HydrophobicContact CB-CE2 4.37Å; K133-F513 HydrophobicContact CB-CZ 3.5Å; K133-F513 VanDerWaalsContact CB-CZ 3.5Å; K133-F513 HydrophobicContact CD-CD1 4.38Å; K133-F513 HydrophobicContact CD-CD2 3.97Å; K133-F513 HydrophobicContact CD-CE1 3.98Å; K133-F513 HydrophobicContact CD-CE2 3.52Å; K133-F513 HydrophobicContact CD-CG 4.39Å; K133-F513 HydrophobicContact CD-CZ 3.52Å; K133-F513 HydrophobicContact CG-CE1 3.77Å; K133-F513 HydrophobicContact CG-CE2 3.72Å; K133-F513 HydrophobicContact CG-CZ 3.24Å; K133-N516 WeakPolarHBondContact CD-OD1 3.42Å; K133-N516 PolarHBondContact NZ-OD1 3.49Å; K133-N516 VanDerWaalsContact NZ-OD1 3.12Å
134T71Confident80.6Confident73 Ų7339.7 Ų39.745%0.44820%0.202SC..Hα-helixtrans-79.1-32.5180-54.30000111.8F109 S130 T131 V132F109-T134 HydrophobicContact CE2-CG2 3.67Å; F109-T134 HydrophobicContact CZ-CG2 4.23Å; S130-T134 PolarHBondContact O-N 3.12Å; S130-T134 PolarHBondContact O-OG1 2.8Å; T131-T134 WeakPolarHBondContact O-CB 3.36Å; T131-T134 PolarHBondContact O-N 2.83Å; T131-T134 VanDerWaalsContact O-N 3.08Å; V132-T134 VanDerWaalsContact C-N 3.31Å; V132-T134 PolarHBondContact O-N 3.45Å
135F68.6Low80.7Confident15 Ų1539.7 Ų39.77%0.06620%0.202CC..  trans-87.2124.9179.7-62.8-62.7000111.1F109 Q113 T131 L138 I141F109-F135 HydrophobicContact CE1-CE1 4.36Å; F109-F135 HydrophobicContact CE1-CZ 4.39Å; F109-F135 HydrophobicContact CE2-CE1 4.38Å; F109-F135 HydrophobicContact CE2-CZ 4.09Å; F109-F135 HydrophobicContact CZ-CD1 4.48Å; F109-F135 AromaticContact CZ-CE1 3.56Å; F109-F135 HydrophobicContact CZ-CE1 3.56Å; F109-F135 AromaticContact CZ-CZ 3.57Å; F109-F135 HydrophobicContact CZ-CZ 3.57Å; Q113-F135 VanDerWaalsContact CD-CD1 3.4Å; Q113-F135 HydrophobicContact CG-CD1 3.81Å; Q113-F135 HydrophobicContact CG-CE1 3.75Å; Q113-F135 HydrophobicContact CG-CG 4.47Å; Q113-F135 HydrophobicContact CG-CZ 4.37Å; T131-F135 HydrophobicContact CG2-CD2 4.02Å; T131-F135 HydrophobicContact CG2-CE2 3.41Å; T131-F135 VanDerWaalsContact CG2-CE2 3.41Å; T131-F135 HydrophobicContact CG2-CZ 4.37Å; T131-F135 WeakPolarHBondContact O-CD2 3.13Å; T131-F135 PolarHBondContact O-N 3.37Å; F135-L138 HydrophobicContact CB-CD2 3.6Å; F135-L138 HydrophobicContact CB-CG 4.25Å; F135-L138 HydrophobicContact CD2-CD2 4.21Å; F135-L138 HydrophobicContact CG-CD2 4.35Å; F135-I141 HydrophobicContact CD2-CD1 3.91Å; F135-I141 HydrophobicContact CE2-CD1 4.02Å; F135-I141 HydrophobicContact CG-CD1 4.36Å
136R61.6Low80.9Confident119 Ų11944.4 Ų44.445%0.44922%0.222SC..SBendtrans-75-44.6177.4-64.8-178.6-176-111.515.2112.9N1092 D1093 F1094R136-N1092 PolarHBondContact NE-O 2.95Å; R136-N1092 PolarHBondContact NH2-O 3Å; R136-D1093 WeakPolarHBondContact CD-O 3.41Å; R136-D1093 PolarHBondContact NE-O 3.31Å; R136-D1093 PolarHBondContact NH1-O 2.94Å; R136-D1093 VanDerWaalsContact NH1-O 3.16Å; R136-D1093 PolarHBondContact NH2-O 3.18Å; R136-F1094 PolarHBondContact NH1-O 2.97Å; R136-F1094 PolarHBondContact NH2-O 3Å
137D69Low81.4Confident93 Ų9341.8 Ų41.850%0.49721%0.21SC..  trans-109.8105.3177.2-168.8-6.8000109.5Q113 T139Q113-D137 PolarHBondContact NE2-O 3.02Å; D137-T139 VanDerWaalsContact CG-OG1 3.24Å; D137-T139 WeakPolarHBondContact OD1-CB 3.28Å; D137-T139 WeakPolarHBondContact OD1-CG2 3.43Å; D137-T139 PolarHBondContact OD1-N 3.04Å; D137-T139 PolarHBondContact OD1-OG1 3.21Å; D137-T139 PolarHBondContact OD2-OG1 3.08Å
138L75.3Confident81.9Confident17 Ų1739.8 Ų39.89%0.08920%0.202CC..  trans-92.9-2178.2-61.9156.4000112.1V132 F135 N140 I141 W142 L433V132-L138 HydrophobicContact CB-CD2 4.42Å; V132-L138 HydrophobicContact CG1-CD1 3.58Å; V132-L138 HydrophobicContact CG1-CD2 4.2Å; V132-L138 HydrophobicContact CG2-CD2 4.37Å; F135-L138 HydrophobicContact CB-CD2 3.6Å; F135-L138 HydrophobicContact CB-CG 4.25Å; F135-L138 HydrophobicContact CD2-CD2 4.21Å; F135-L138 HydrophobicContact CG-CD2 4.35Å; L138-N140 VanDerWaalsContact C-N 3.28Å; L138-N140 PolarHBondContact O-N 2.68Å; L138-I141 HydrophobicContact CD2-CD1 4.38Å; L138-I141 PolarHBondContact O-N 3.32Å; L138-W142 HydrophobicContact CB-CG 4.24Å; L138-W142 HydrophobicContact CD1-CZ2 4.14Å; L138-W142 HydrophobicContact CD2-CZ2 4.49Å; L138-W142 PolarHBondContact O-N 3.18Å; L138-L433 HydrophobicContact CD1-CD2 4.5Å
139T77.2Confident82.4Confident54 Ų5439.5 Ų39.533%0.33120%0.2SC..Hα-helixtrans-56.7-42.4-173.157.60000111.9D137 I141 W142 N143D137-T139 VanDerWaalsContact CG-OG1 3.24Å; D137-T139 WeakPolarHBondContact OD1-CB 3.28Å; D137-T139 WeakPolarHBondContact OD1-CG2 3.43Å; D137-T139 PolarHBondContact OD1-N 3.04Å; D137-T139 PolarHBondContact OD1-OG1 3.21Å; D137-T139 PolarHBondContact OD2-OG1 3.08Å; T139-I141 PolarHBondContact O-N 2.88Å; T139-W142 PolarHBondContact O-N 3.26Å; T139-N143 VanDerWaalsContact O-CB 3.24Å; T139-N143 WeakPolarHBondContact O-CB 3.5Å; T139-N143 PolarHBondContact O-N 2.82Å; T139-N143 PolarHBondContact O-ND2 2.76Å; T139-N143 VanDerWaalsContact O-ND2 3.17Å
140N78Confident82.9Confident65 Ų6539 Ų3935%0.34820%0.197SC..Hα-helixtrans-60.2-43.8177-171.914.1000111.9Q113 L138 K144Q113-N140 PolarHBondContact O-ND2 2.96Å; L138-N140 VanDerWaalsContact C-N 3.28Å; L138-N140 PolarHBondContact O-N 2.68Å; N140-K144 WeakPolarHBondContact O-CB 2.97Å; N140-K144 VanDerWaalsContact O-CG 3.28Å; N140-K144 WeakPolarHBondContact O-CG 3.31Å; N140-K144 PolarHBondContact O-N 3.44Å; N140-K144 WeakPolarHBondContact OD1-CE 3.25Å; N140-K144 PolarHBondContact OD1-NZ 3.44Å
141I81.5Confident83.4Confident10 Ų1038.1 Ų38.15%0.05119%0.19CC..Hα-helixtrans-68.4-47.6179.1-61.6174.8000110.3I71 I112 Q113 F135 L138 T139 K144 L145I71-I141 HydrophobicContact CD1-CB 4.49Å; I71-I141 HydrophobicContact CD1-CG2 4.04Å; I112-I141 HydrophobicContact CB-CD1 4.32Å; I112-I141 HydrophobicContact CG2-CD1 4.43Å; I112-I141 HydrophobicContact CG2-CG1 4.41Å; Q113-I141 HydrophobicContact CG-CD1 3.88Å; Q113-I141 HydrophobicContact CG-CG1 4.17Å; F135-I141 HydrophobicContact CD2-CD1 3.91Å; F135-I141 HydrophobicContact CE2-CD1 4.02Å; F135-I141 HydrophobicContact CG-CD1 4.36Å; L138-I141 HydrophobicContact CD2-CD1 4.38Å; L138-I141 PolarHBondContact O-N 3.32Å; T139-I141 PolarHBondContact O-N 2.88Å; I141-K144 PolarHBondContact O-N 2.87Å; I141-L145 PolarHBondContact O-N 3.21Å; I141-L145 VanDerWaalsContact O-N 3.1Å
142W86.9Confident83.9Confident14 Ų1438.3 Ų38.35%0.05319%0.19CC..Hα-helixtrans-65.8-39-177.5-65.1138.9000112.8V132 L138 T139 K144 L145 T172 L175 A176V132-W142 HydrophobicContact CG1-CZ2 4.24Å; V132-W142 HydrophobicContact CG2-CH2 3.99Å; V132-W142 HydrophobicContact CG2-CZ2 3.99Å; L138-W142 HydrophobicContact CB-CG 4.24Å; L138-W142 HydrophobicContact CD1-CZ2 4.14Å; L138-W142 HydrophobicContact CD2-CZ2 4.49Å; L138-W142 PolarHBondContact O-N 3.18Å; T139-W142 PolarHBondContact O-N 3.26Å; W142-K144 VanDerWaalsContact C-N 3.3Å; W142-K144 PolarHBondContact O-N 2.99Å; W142-L145 HydrophobicContact CE3-CD2 3.88Å; W142-L145 HydrophobicContact CZ3-CD2 3.93Å; W142-L145 PolarHBondContact O-N 2.71Å; W142-T172 HydrophobicContact CZ3-CG2 4.05Å; W142-L175 HydrophobicContact CG-CB 4.35Å; W142-A176 HydrophobicContact CB-CB 3.91Å; W142-A176 HydrophobicContact CD2-CB 4.29Å; W142-A176 HydrophobicContact CE3-CB 3.85Å; W142-A176 HydrophobicContact CG-CB 4.35Å; W142-A176 WeakPolarHBondContact O-CB 3.48Å
143N87.4Confident84.4Confident117 Ų11738.1 Ų38.163%0.62619%0.189SC*.Hα-helixtrans-66.8-31.8177.2-71.1-21.4000112.6T139T139-N143 VanDerWaalsContact O-CB 3.24Å; T139-N143 WeakPolarHBondContact O-CB 3.5Å; T139-N143 PolarHBondContact O-N 2.82Å; T139-N143 PolarHBondContact O-ND2 2.76Å; T139-N143 VanDerWaalsContact O-ND2 3.17Å
144K90.3Very high85Confident36 Ų3637 Ų3716%0.15718%0.184CC..Hα-helixtrans-83.1-16.7177.9-69.8176176.9176.10113.3P69 F70 I71 N140 I141 W142 K146P69-K144 HydrophobicContact CG-CD 4.46Å; F70-K144 WeakPolarHBondContact CA-O 3.45Å; I71-K144 HydrophobicContact CD1-CB 3.9Å; I71-K144 HydrophobicContact CD1-CD 4.45Å; I71-K144 HydrophobicContact CG1-CB 3.93Å; I71-K144 PolarHBondContact N-O 3.49Å; N140-K144 WeakPolarHBondContact O-CB 2.97Å; N140-K144 VanDerWaalsContact O-CG 3.28Å; N140-K144 WeakPolarHBondContact O-CG 3.31Å; N140-K144 PolarHBondContact O-N 3.44Å; N140-K144 WeakPolarHBondContact OD1-CE 3.25Å; N140-K144 PolarHBondContact OD1-NZ 3.44Å; I141-K144 PolarHBondContact O-N 2.87Å; W142-K144 VanDerWaalsContact C-N 3.3Å; W142-K144 PolarHBondContact O-N 2.99Å; K144-K146 PolarHBondContact O-N 3.33Å
145L93.3Very high85.8Confident6 Ų633.9 Ų33.93%0.03117%0.165CC..EExtended strand (participates in β ladder)trans-71.3112.8-176.9-176.262.6000111.7I71 I73 I141 W142 L147 T172 A176 P178I71-L145 HydrophobicContact CB-CD1 4.41Å; I71-L145 HydrophobicContact CG2-CD1 4.16Å; I73-L145 HydrophobicContact CB-CD1 4.07Å; I73-L145 HydrophobicContact CD1-CD1 3.59Å; I73-L145 HydrophobicContact CD1-CD2 4.04Å; I73-L145 HydrophobicContact CD1-CG 4.45Å; I73-L145 HydrophobicContact CG1-CD1 3.55Å; I141-L145 PolarHBondContact O-N 3.21Å; I141-L145 VanDerWaalsContact O-N 3.1Å; W142-L145 HydrophobicContact CE3-CD2 3.88Å; W142-L145 HydrophobicContact CZ3-CD2 3.93Å; W142-L145 PolarHBondContact O-N 2.71Å; L145-L147 WeakPolarHBondContact CD1-O 3.47Å; L145-T172 HydrophobicContact CD2-CG2 3.69Å; L145-A176 HydrophobicContact CB-CB 4.36Å; L145-A176 HydrophobicContact CD2-CB 3.99Å; L145-P178 HydrophobicContact CD2-CB 4.22Å; L145-P178 HydrophobicContact CD2-CG 4.04Å; L145-P178 HydrophobicContact CG-CB 4.01Å; L145-P178 HydrophobicContact CG-CG 4.39Å
146K94.6Very high86.8Confident104 Ų10433.2 Ų33.245%0.45216%0.162SC..EExtended strand (participates in β ladder)trans-101-41.5179.4-62.5-58.4-177.1-166.20113.4F70 I71 K144 R179F70-K146 HydrophobicContact CB-CG 3.71Å; I71-K146 PolarHBondContact O-N 2.8Å; K144-K146 PolarHBondContact O-N 3.33Å; K146-R179 PolarHBondContact O-N 3.34Å
147L96.5Very high88.1Confident4 Ų429.1 Ų29.12%0.02116%0.157CC..EExtended strand (participates in β ladder)trans-125137.1-178.4-60.2-177000110.7A53 Q57 I72 I73 L145 F149 R179A53-L147 HydrophobicContact CB-CD1 4.32Å; Q57-L147 HydrophobicContact CB-CD1 3.84Å; Q57-L147 HydrophobicContact CG-CD1 4.29Å; I72-L147 HydrophobicContact CB-CB 4.44Å; I72-L147 HydrophobicContact CD1-CD1 4.02Å; I72-L147 HydrophobicContact CG1-CB 4.12Å; I72-L147 HydrophobicContact CG1-CD1 4.23Å; I72-L147 HydrophobicContact CG1-CG 4.37Å; I72-L147 HydrophobicContact CG2-CB 3.99Å; I73-L147 PolarHBondContact N-O 3.39Å; L145-L147 WeakPolarHBondContact CD1-O 3.47Å; L147-F149 HydrophobicContact CB-CD1 4.49Å; L147-F149 HydrophobicContact CB-CE1 3.84Å; L147-F149 HydrophobicContact CB-CZ 4.12Å; L147-F149 HydrophobicContact CD1-CE1 3.86Å; L147-F149 HydrophobicContact CD1-CZ 3.63Å; L147-F149 HydrophobicContact CG-CE1 4.35Å; L147-F149 HydrophobicContact CG-CZ 4.49Å; L147-R179 HydrophobicContact CD2-CB 3.8Å; L147-R179 HydrophobicContact CD2-CG 4.25Å
148C96.9Very high88.7Confident1 Ų127.6 Ų27.61%0.00715%0.146CC..EExtended strand (participates in β ladder)trans-127.3115.3170.8-1750000109.5I73 P178 R179 F180 I181I73-C148 CarbonylContact O-C 3.57Å; I73-C148 WeakPolarHBondContact O-CA 3.43Å; C148-P178 HydrophobicContact CB-CB 4.2Å; C148-P178 HydrophobicContact CB-CG 3.72Å; C148-R179 PolarHBondContact N-O 2.91Å; C148-R179 VanDerWaalsContact N-O 3.11Å; C148-F180 HydrophobicContact CB-CD1 3.77Å; C148-F180 HydrophobicContact CB-CE1 3.76Å; C148-F180 WeakPolarHBondContact O-CA 3.24Å; C148-I181 PolarHBondContact O-N 3.02Å
149F97.7Very high88.9Confident0 Ų030.9 Ų30.90%016%0.161CC..EExtended strand (participates in β ladder)trans-100.1133.6179.8-55.5-28.9000110.5F50 A53 I54 I72 I73 Y74 I75 W89 L147 I181F50-F149 HydrophobicContact CB-CD2 3.97Å; F50-F149 HydrophobicContact CB-CE2 4.06Å; F50-F149 HydrophobicContact CB-CG 4.36Å; F50-F149 HydrophobicContact CD1-CB 3.7Å; F50-F149 AromaticContact CD1-CD1 3.9Å; F50-F149 HydrophobicContact CD1-CD1 3.9Å; F50-F149 HydrophobicContact CD1-CD2 4.1Å; F50-F149 AromaticContact CD1-CG 3.63Å; F50-F149 HydrophobicContact CD1-CG 3.63Å; F50-F149 HydrophobicContact CE1-CB 3.83Å; F50-F149 HydrophobicContact CE1-CG 4.25Å; F50-F149 HydrophobicContact CG-CB 4.39Å; F50-F149 HydrophobicContact CG-CD2 4.26Å; F50-F149 HydrophobicContact CG-CG 4.24Å; A53-F149 HydrophobicContact CB-CE1 3.89Å; A53-F149 HydrophobicContact CB-CZ 3.87Å; I54-F149 HydrophobicContact CD1-CE2 3.92Å; I54-F149 HydrophobicContact CG1-CE2 3.56Å; I54-F149 HydrophobicContact CG1-CZ 3.81Å; I72-F149 HydrophobicContact CG2-CD2 4.12Å; I72-F149 HydrophobicContact CG2-CE2 3.64Å; I72-F149 HydrophobicContact CG2-CZ 4.04Å; I73-F149 PolarHBondContact O-N 3.09Å; Y74-F149 HydrophobicContact CD2-CB 3.67Å; Y74-F149 HydrophobicContact CD2-CD2 4.06Å; Y74-F149 HydrophobicContact CD2-CG 4.38Å; Y74-F149 HydrophobicContact CG-CB 4.45Å; I75-F149 PolarHBondContact N-O 3Å; W89-F149 AromaticContact CH2-CD2 3.96Å; W89-F149 HydrophobicContact CH2-CD2 3.96Å; W89-F149 HydrophobicContact CH2-CE2 4.23Å; W89-F149 HydrophobicContact CZ3-CD2 4.33Å; L147-F149 HydrophobicContact CB-CD1 4.49Å; L147-F149 HydrophobicContact CB-CE1 3.84Å; L147-F149 HydrophobicContact CB-CZ 4.12Å; L147-F149 HydrophobicContact CD1-CE1 3.86Å; L147-F149 HydrophobicContact CD1-CZ 3.63Å; L147-F149 HydrophobicContact CG-CE1 4.35Å; L147-F149 HydrophobicContact CG-CZ 4.49Å; F149-I181 CarbonylContact C-O 3.56Å; F149-I181 VanDerWaalsContact CA-O 3.29Å; F149-I181 WeakPolarHBondContact CA-O 3.26Å; F149-I181 HydrophobicContact CD1-CB 3.8Å; F149-I181 HydrophobicContact CD1-CD1 4.39Å; F149-I181 HydrophobicContact CD1-CG1 4.26Å; F149-I181 HydrophobicContact CE1-CB 4.16Å; F149-I181 HydrophobicContact CE1-CD1 3.86Å; F149-I181 HydrophobicContact CE1-CG1 4.16Å
150I95.9Very high88.7Confident1 Ų129.8 Ų29.81%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-122.3106.5177.7-45.8177.6000107.8V153 I169 F180 I181 C182 A183I150-V153 HydrophobicContact CG2-CB 3.94Å; I150-V153 HydrophobicContact CG2-CG2 4.06Å; I150-I169 HydrophobicContact CD1-CB 4.44Å; I150-I169 HydrophobicContact CD1-CD1 3.35Å; I150-I169 HydrophobicContact CD1-CG1 3.68Å; I150-I169 HydrophobicContact CD1-CG2 3.86Å; I150-I169 HydrophobicContact CG1-CD1 3.83Å; I150-F180 HydrophobicContact CD1-CD1 4.12Å; I150-I181 PolarHBondContact N-O 2.87Å; I150-C182 HydrophobicContact CB-CB 4.38Å; I150-C182 VanDerWaalsContact CD1-SG 3.58Å; I150-C182 VanDerWaalsContact O-CA 3.32Å; I150-C182 WeakPolarHBondContact O-CA 3.46Å; I150-A183 PolarHBondContact O-N 2.98Å
151D93.6Very high88.9Confident17 Ų1727.9 Ų27.99%0.09114%0.141CC..EExtended strand (participates in β ladder)trans-89.7143.5172.7-161.518.2000110.6F50 Y74 I75 V153F50-D151 HydrophobicContact CE2-CB 4.1Å; F50-D151 HydrophobicContact CZ-CB 4.16Å; Y74-D151 HydrophobicContact CE2-CB 3.99Å; Y74-D151 PolarHBondContact OH-OD2 3.2Å; Y74-D151 VanDerWaalsContact OH-OD2 3.13Å; I75-D151 PolarHBondContact O-N 2.85Å; D151-V153 PolarHBondContact O-N 3.23Å
152E89.6Confident89.4Confident15 Ų1527.4 Ų27.47%0.0714%0.139CC..SBendtrans50.649.8-176.3-56-63.4-164.200113.6P77 H154 L155 A183 A185 Q377P77-E152 HydrophobicContact CG-CB 4.04Å; P77-E152 HydrophobicContact CG-CG 4.16Å; E152-H154 PolarHBondContact O-N 2.72Å; E152-H154 IonicContact OE2-CE1 2.78Å; E152-H154 PolarHBondContact OE2-CE1 3.38Å; E152-H154 IonicContact OE2-ND1 3.93Å; E152-H154 PolarHBondContact OE2-ND1 3.5Å; E152-L155 HydrophobicContact CB-CD1 3.74Å; E152-L155 HydrophobicContact CB-CG 4.18Å; E152-L155 WeakPolarHBondContact O-CB 3.4Å; E152-L155 WeakPolarHBondContact O-CD1 3.37Å; E152-L155 WeakPolarHBondContact O-CG 3.26Å; E152-L155 PolarHBondContact O-N 2.84Å; E152-A183 WeakPolarHBondContact CA-O 3.39Å; E152-A183 PolarHBondContact N-O 2.9Å; E152-A185 PolarHBondContact OE2-N 3.26Å; E152-A185 VanDerWaalsContact OE2-N 3.1Å; E152-Q377 PolarHBondContact OE1-NE2 3.12Å
153V90.8Very high89.6Confident1 Ų126.7 Ų26.71%0.00614%0.136CC..G310 helixtrans-55.4-18.8-179.168.40000114I150 D151 L155 I156 C182 A183 L187 I193 W196I150-V153 HydrophobicContact CG2-CB 3.94Å; I150-V153 HydrophobicContact CG2-CG2 4.06Å; D151-V153 PolarHBondContact O-N 3.23Å; V153-L155 PolarHBondContact O-N 3.38Å; V153-I156 WeakPolarHBondContact O-CB 3.31Å; V153-I156 VanDerWaalsContact O-CG2 3.25Å; V153-I156 WeakPolarHBondContact O-CG2 3.44Å; V153-I156 PolarHBondContact O-N 3.43Å; V153-I156 VanDerWaalsContact O-N 3.13Å; V153-C182 HydrophobicContact CG1-CB 4.35Å; V153-A183 PolarHBondContact N-O 3.46Å; V153-L187 HydrophobicContact CG1-CD1 3.95Å; V153-I193 HydrophobicContact CG1-CG2 4.4Å; V153-I193 HydrophobicContact CG2-CD1 4.39Å; V153-I193 HydrophobicContact CG2-CG2 4.22Å; V153-W196 HydrophobicContact CG2-CZ3 4.41Å
154H88.5Confident89.8Confident14 Ų1423.3 Ų23.37%0.06512%0.118CC..G310 helixtrans-55.9-22.4173.863.8-99.5000114.5E152 I156 G157 S184 L187 T373 I415E152-H154 PolarHBondContact O-N 2.72Å; E152-H154 IonicContact OE2-CE1 2.78Å; E152-H154 PolarHBondContact OE2-CE1 3.38Å; E152-H154 IonicContact OE2-ND1 3.93Å; E152-H154 PolarHBondContact OE2-ND1 3.5Å; H154-I156 PolarHBondContact O-N 2.86Å; H154-I156 VanDerWaalsContact O-N 3.12Å; H154-G157 PolarHBondContact O-N 3.32Å; H154-G157 VanDerWaalsContact O-N 3.11Å; H154-S184 WeakPolarHBondContact CB-OG 3.35Å; H154-S184 PolarHBondContact ND1-OG 3.21Å; H154-L187 HydrophobicContact CB-CD2 3.61Å; H154-T373 WeakPolarHBondContact CD2-CG2 3.34Å; H154-T373 VanDerWaalsContact NE2-CG2 3.25Å; H154-T373 WeakPolarHBondContact NE2-CG2 3.3Å; H154-I415 HydrophobicContact CB-CD1 3.25Å
155L88Confident90Very high9 Ų922.1 Ų22.15%0.04711%0.113CC..G310 helixtrans-67.9-8180-62.9174.3000113.7P77 E152 V153 G157 E158 G162 M345P77-L155 HydrophobicContact CB-CD1 3.06Å; P77-L155 HydrophobicContact CG-CD1 3.7Å; E152-L155 HydrophobicContact CB-CD1 3.74Å; E152-L155 HydrophobicContact CB-CG 4.18Å; E152-L155 WeakPolarHBondContact O-CB 3.4Å; E152-L155 WeakPolarHBondContact O-CD1 3.37Å; E152-L155 WeakPolarHBondContact O-CG 3.26Å; E152-L155 PolarHBondContact O-N 2.84Å; V153-L155 PolarHBondContact O-N 3.38Å; L155-G157 PolarHBondContact O-N 3.46Å; L155-E158 HydrophobicContact CD2-CG 4.25Å; L155-E158 WeakPolarHBondContact CD2-OE1 3.38Å; L155-E158 WeakPolarHBondContact O-CB 3.47Å; L155-E158 PolarHBondContact O-N 3.16Å; L155-G162 WeakPolarHBondContact O-CA 3.48Å; L155-M345 HydrophobicContact CD1-CE 4.37Å
156I90.6Very high90.1Very high0 Ų021.8 Ų21.80%011%0.111CC..G310 helixtrans-57.5-26166.8-164.3167.2000112.8V153 H154 E158 G162 E166 I193 W196 I415 F450V153-I156 WeakPolarHBondContact O-CB 3.31Å; V153-I156 VanDerWaalsContact O-CG2 3.25Å; V153-I156 WeakPolarHBondContact O-CG2 3.44Å; V153-I156 PolarHBondContact O-N 3.43Å; V153-I156 VanDerWaalsContact O-N 3.13Å; H154-I156 PolarHBondContact O-N 2.86Å; H154-I156 VanDerWaalsContact O-N 3.12Å; I156-E158 VanDerWaalsContact C-N 3.28Å; I156-E158 PolarHBondContact O-N 3.49Å; I156-G162 WeakPolarHBondContact O-CA 3.22Å; I156-E166 HydrophobicContact CD1-CB 3.75Å; I156-E166 HydrophobicContact CD1-CG 3.9Å; I156-E166 HydrophobicContact CG1-CB 3.92Å; I156-E166 HydrophobicContact CG1-CG 4.47Å; I156-I193 HydrophobicContact CG2-CD1 4.47Å; I156-W196 HydrophobicContact CD1-CE3 4.18Å; I156-W196 HydrophobicContact CD1-CH2 3.45Å; I156-W196 VanDerWaalsContact CD1-CH2 3.45Å; I156-W196 HydrophobicContact CD1-CZ2 4.14Å; I156-W196 HydrophobicContact CD1-CZ3 3.47Å; I156-W196 VanDerWaalsContact CD1-CZ3 3.47Å; I156-I415 HydrophobicContact CG2-CG2 3.49Å; I156-I415 VanDerWaalsContact CG2-CG2 3.49Å; I156-F450 HydrophobicContact CD1-CB 3.71Å; I156-F450 HydrophobicContact CD1-CD1 3.73Å; I156-F450 HydrophobicContact CD1-CG 3.85Å; I156-F450 HydrophobicContact CG1-CD1 4.24Å; I156-F450 HydrophobicContact CG2-CD1 4.32Å; I156-F450 HydrophobicContact CG2-CE1 4.18Å
157G87.7Confident90.1Very high33 Ų3316.9 Ų16.934%0.349%0.09SC..G310 helixtrans-82.32.1175.900000115H154 L155 N416H154-G157 PolarHBondContact O-N 3.32Å; H154-G157 VanDerWaalsContact O-N 3.11Å; L155-G157 PolarHBondContact O-N 3.46Å; G157-N416 VanDerWaalsContact CA-O 3.31Å; G157-N416 WeakPolarHBondContact CA-O 3.28Å
158E83.2Confident89.9Confident61 Ų6116.7 Ų16.729%0.2859%0.089SC..SBendtrans-84.6137171.8-68.6-169.2-175.500111.4L155 I156 D160 R161 G162L155-E158 HydrophobicContact CD2-CG 4.25Å; L155-E158 WeakPolarHBondContact CD2-OE1 3.38Å; L155-E158 WeakPolarHBondContact O-CB 3.47Å; L155-E158 PolarHBondContact O-N 3.16Å; I156-E158 VanDerWaalsContact C-N 3.28Å; I156-E158 PolarHBondContact O-N 3.49Å; E158-D160 PolarHBondContact O-N 2.83Å; E158-R161 HydrophobicContact CB-CG 4.16Å; E158-R161 IonicContact OE1-CZ 3.2Å; E158-R161 IonicContact OE1-NE 2.71Å; E158-R161 IonicContact OE1-NH2 3.86Å; E158-R161 PolarHBondContact OE1-NH2 2.81Å; E158-R161 IonicContact OE2-CZ 2.96Å; E158-R161 IonicContact OE2-NE 3.42Å; E158-R161 PolarHBondContact OE2-NE 2.81Å; E158-R161 IonicContact OE2-NH2 3.64Å; E158-R161 PolarHBondContact OE2-NH2 3Å; E158-G162 WeakPolarHBondContact O-CA 3.49Å; E158-G162 PolarHBondContact O-N 3.44Å
159H78.3Confident89.9Confident87 Ų8716.7 Ų16.740%0.4039%0.089SC..Hα-helixtrans-55.3-51-169-172.7-90.9000113.9S163 S421 H422 F1321H159-S163 PolarHBondContact O-OG 3.15Å; H159-S421 PolarHBondContact NE2-OG 3.01Å; H159-H422 AromaticContact CE1-CE1 3.68Å; H159-H422 AromaticContact ND1-CE1 3.76Å; H159-H422 PolarHBondContact O-CE1 3.44Å; H159-H422 PolarHBondContact O-ND1 3.28Å; H159-F1321 AromaticContact CE1-CD1 3.86Å; H159-F1321 AromaticContact CE1-CE1 3.78Å
160D72.9Confident89.8Confident31 Ų3116.7 Ų16.717%0.1669%0.089CC..Hα-helixtrans-86.8-58.8-171.7-67.2-1.1000111.9E158 S1322 V1323E158-D160 PolarHBondContact O-N 2.83Å; D160-S1322 PolarHBondContact OD2-N 2.99Å; D160-V1323 HydrophobicContact CB-CG2 4.35Å; D160-V1323 WeakPolarHBondContact OD2-CG2 3.08Å
161R83.5Confident89.6Confident24 Ų2416.7 Ų16.79%0.0919%0.089CC..Hα-helixtrans-77.3-26-176.468.4170174.3-164-16.6114.3P77 E158 S163 I164 L165P77-R161 PolarHBondContact O-NH1 3.16Å; E158-R161 HydrophobicContact CB-CG 4.16Å; E158-R161 IonicContact OE1-CZ 3.2Å; E158-R161 IonicContact OE1-NE 2.71Å; E158-R161 IonicContact OE1-NH2 3.86Å; E158-R161 PolarHBondContact OE1-NH2 2.81Å; E158-R161 IonicContact OE2-CZ 2.96Å; E158-R161 IonicContact OE2-NE 3.42Å; E158-R161 PolarHBondContact OE2-NE 2.81Å; E158-R161 IonicContact OE2-NH2 3.64Å; E158-R161 PolarHBondContact OE2-NH2 3Å; R161-S163 VanDerWaalsContact C-N 3.34Å; R161-S163 PolarHBondContact O-N 2.93Å; R161-I164 PolarHBondContact O-N 3.06Å; R161-L165 PolarHBondContact O-N 3.21Å
162G90.7Very high89.6Confident0 Ų016 Ų160%09%0.085CC..Hα-helixtrans-64.2-40.8-175.300000112.1L155 I156 E158 I164 L165 E166L155-G162 WeakPolarHBondContact O-CA 3.48Å; I156-G162 WeakPolarHBondContact O-CA 3.22Å; E158-G162 WeakPolarHBondContact O-CA 3.49Å; E158-G162 PolarHBondContact O-N 3.44Å; G162-I164 VanDerWaalsContact C-N 3.35Å; G162-I164 PolarHBondContact O-N 3.21Å; G162-L165 PolarHBondContact O-N 3.3Å; G162-E166 WeakPolarHBondContact O-CB 3.41Å; G162-E166 PolarHBondContact O-N 3.34Å
163S92.5Very high89.8Confident0 Ų015.7 Ų15.70%08%0.083CC..Hα-helixtrans-61.4-40.4176.3-50.10000112.5H159 R161 A167 C418 H422 L426H159-S163 PolarHBondContact O-OG 3.15Å; R161-S163 VanDerWaalsContact C-N 3.34Å; R161-S163 PolarHBondContact O-N 2.93Å; S163-A167 PolarHBondContact O-N 2.98Å; S163-C418 VanDerWaalsContact OG-C 3.28Å; S163-C418 PolarHBondContact OG-O 2.6Å; S163-H422 PolarHBondContact OG-ND1 2.86Å; S163-L426 WeakPolarHBondContact O-CD1 3.44Å
164I91.7Very high89.8Confident46 Ų4617.4 Ų17.424%0.2369%0.092CC..Hα-helixtrans-67.5-45.8176.6-62.3172.7000110.5N129 R161 G162 E166 A167 L168N129-I164 HydrophobicContact CB-CG2 3.96Å; R161-I164 PolarHBondContact O-N 3.06Å; G162-I164 VanDerWaalsContact C-N 3.35Å; G162-I164 PolarHBondContact O-N 3.21Å; I164-E166 VanDerWaalsContact C-N 3.32Å; I164-E166 PolarHBondContact O-N 2.81Å; I164-A167 PolarHBondContact O-N 3.07Å; I164-L168 VanDerWaalsContact O-CB 3.23Å; I164-L168 WeakPolarHBondContact O-CB 3.3Å; I164-L168 PolarHBondContact O-N 3.43Å
165L93.6Very high89.9Confident10 Ų1020.4 Ų20.45%0.05211%0.108CC..Hα-helixtrans-59.2-45.6176.5178.361.6000110.7I75 P125 R161 G162 L168 I169I75-L165 HydrophobicContact CG2-CD1 4.19Å; P125-L165 HydrophobicContact CB-CB 4.37Å; P125-L165 HydrophobicContact CB-CD1 4.15Å; P125-L165 HydrophobicContact CG-CD1 4.04Å; R161-L165 PolarHBondContact O-N 3.21Å; G162-L165 PolarHBondContact O-N 3.3Å; L165-L168 PolarHBondContact O-N 3.21Å; L165-I169 HydrophobicContact CD1-CD1 4.27Å; L165-I169 HydrophobicContact CD1-CG1 3.85Å; L165-I169 HydrophobicContact CG-CG1 4.37Å; L165-I169 WeakPolarHBondContact O-CB 3.47Å; L165-I169 VanDerWaalsContact O-CG1 3.22Å; L165-I169 WeakPolarHBondContact O-CG1 2.87Å; L165-I169 PolarHBondContact O-N 2.75Å
166E95.9Very high90Very high0 Ų021 Ų210%011%0.114CC..Hα-helixtrans-58.8-49.6177.6-175.4170.2164.700112.8I156 G162 I164 I169 T170 W196 S417 T449 F450 F451I156-E166 HydrophobicContact CD1-CB 3.75Å; I156-E166 HydrophobicContact CD1-CG 3.9Å; I156-E166 HydrophobicContact CG1-CB 3.92Å; I156-E166 HydrophobicContact CG1-CG 4.47Å; G162-E166 WeakPolarHBondContact O-CB 3.41Å; G162-E166 PolarHBondContact O-N 3.34Å; I164-E166 VanDerWaalsContact C-N 3.32Å; I164-E166 PolarHBondContact O-N 2.81Å; E166-I169 PolarHBondContact O-N 2.86Å; E166-T170 VanDerWaalsContact O-CB 3.27Å; E166-T170 WeakPolarHBondContact O-CB 3.48Å; E166-T170 PolarHBondContact O-N 2.97Å; E166-T170 PolarHBondContact O-OG1 2.66Å; E166-W196 HydrophobicContact CG-CZ2 4.03Å; E166-S417 VanDerWaalsContact CD-OG 3.26Å; E166-S417 PolarHBondContact OE1-OG 3.04Å; E166-S417 VanDerWaalsContact OE2-CB 3.26Å; E166-S417 WeakPolarHBondContact OE2-CB 3.49Å; E166-S417 PolarHBondContact OE2-OG 3.17Å; E166-T449 WeakPolarHBondContact OE1-CB 3.43Å; E166-F450 HydrophobicContact CG-CB 4.04Å; E166-F450 WeakPolarHBondContact OE1-CA 3.45Å; E166-F450 WeakPolarHBondContact OE1-CB 3.28Å; E166-F450 PolarHBondContact OE1-N 3.45Å; E166-F451 WeakPolarHBondContact OE1-CB 3.42Å; E166-F451 PolarHBondContact OE1-N 2.86Å
167A94Very high90Very high0 Ų029.2 Ų29.20%015%0.145CC..Hα-helixtrans-62.2-44.4178.200000111.6S163 I164 I169 T170 R171 L426 W445S163-A167 PolarHBondContact O-N 2.98Å; I164-A167 PolarHBondContact O-N 3.07Å; A167-I169 PolarHBondContact O-N 3.44Å; A167-T170 PolarHBondContact O-N 3.2Å; A167-R171 WeakPolarHBondContact O-CB 3.31Å; A167-R171 PolarHBondContact O-N 3.26Å; A167-L426 HydrophobicContact CB-CD1 4.18Å; A167-L426 HydrophobicContact CB-CD2 4.01Å; A167-L426 HydrophobicContact CB-CG 4.47Å; A167-W445 HydrophobicContact CB-CZ2 3.99Å
168L93.5Very high90.3Very high0 Ų028 Ų280%013%0.132CC..Hα-helixtrans-61.3-45.8179.5178.564.4000112.5I75 P125 L128 I164 L165 R171 T172I75-L168 HydrophobicContact CD1-CD2 4.33Å; P125-L168 HydrophobicContact CB-CD2 4.5Å; L128-L168 HydrophobicContact CB-CD2 4.11Å; L128-L168 HydrophobicContact CD2-CD1 4.45Å; L128-L168 HydrophobicContact CD2-CD2 3.96Å; L128-L168 HydrophobicContact CG-CD1 4.21Å; L128-L168 HydrophobicContact CG-CD2 4.08Å; I164-L168 VanDerWaalsContact O-CB 3.23Å; I164-L168 WeakPolarHBondContact O-CB 3.3Å; I164-L168 PolarHBondContact O-N 3.43Å; L165-L168 PolarHBondContact O-N 3.21Å; L168-R171 PolarHBondContact O-N 3.44Å; L168-T172 WeakPolarHBondContact O-CB 3.25Å; L168-T172 PolarHBondContact O-N 2.94Å; L168-T172 PolarHBondContact O-OG1 3.39Å
169I95.2Very high90.9Very high1 Ų126.4 Ų26.41%0.00512%0.123CC..Hα-helixtrans-70-39178.9-63.2-56.3000110.9I75 I150 L165 E166 A167 T172 K173 F180 W196 L197I75-I169 HydrophobicContact CD1-CD1 3.67Å; I150-I169 HydrophobicContact CD1-CB 4.44Å; I150-I169 HydrophobicContact CD1-CD1 3.35Å; I150-I169 HydrophobicContact CD1-CG1 3.68Å; I150-I169 HydrophobicContact CD1-CG2 3.86Å; I150-I169 HydrophobicContact CG1-CD1 3.83Å; L165-I169 HydrophobicContact CD1-CD1 4.27Å; L165-I169 HydrophobicContact CD1-CG1 3.85Å; L165-I169 HydrophobicContact CG-CG1 4.37Å; L165-I169 WeakPolarHBondContact O-CB 3.47Å; L165-I169 VanDerWaalsContact O-CG1 3.22Å; L165-I169 WeakPolarHBondContact O-CG1 2.87Å; L165-I169 PolarHBondContact O-N 2.75Å; E166-I169 PolarHBondContact O-N 2.86Å; A167-I169 PolarHBondContact O-N 3.44Å; I169-T172 PolarHBondContact O-N 3.28Å; I169-K173 VanDerWaalsContact O-CB 3.32Å; I169-K173 WeakPolarHBondContact O-CB 2.88Å; I169-K173 PolarHBondContact O-N 2.96Å; I169-F180 HydrophobicContact CD1-CE1 4.48Å; I169-F180 HydrophobicContact CG2-CE1 4.06Å; I169-F180 HydrophobicContact CG2-CZ 4.4Å; I169-W196 HydrophobicContact CB-CH2 3.61Å; I169-W196 HydrophobicContact CB-CZ2 3.66Å; I169-W196 HydrophobicContact CG1-CH2 4.17Å; I169-W196 HydrophobicContact CG2-CH2 3.52Å; I169-W196 HydrophobicContact CG2-CZ2 3.58Å; I169-W196 HydrophobicContact CG2-CZ3 4.23Å; I169-L197 HydrophobicContact CG2-CD2 3.59Å
170T95.6Very high91.8Very high0 Ų022.3 Ų22.30%010%0.104CC..Hα-helixtrans-60.3-46.9174.7-59.80000111E166 A167 K173 M174 W196 N448 T449E166-T170 VanDerWaalsContact O-CB 3.27Å; E166-T170 WeakPolarHBondContact O-CB 3.48Å; E166-T170 PolarHBondContact O-N 2.97Å; E166-T170 PolarHBondContact O-OG1 2.66Å; A167-T170 PolarHBondContact O-N 3.2Å; T170-K173 WeakPolarHBondContact O-CB 3.41Å; T170-K173 PolarHBondContact O-N 3.3Å; T170-M174 HydrophobicContact CG2-SD 4Å; T170-M174 VanDerWaalsContact O-CG 3.32Å; T170-M174 WeakPolarHBondContact O-CG 3.29Å; T170-M174 PolarHBondContact O-N 3.27Å; T170-W196 PolarHBondContact OG1-NE1 3.44Å; T170-N448 HydrophobicContact CG2-CB 3.89Å; T170-T449 HydrophobicContact CG2-CG2 4.09Å
171R93Very high93Very high2 Ų220.8 Ų20.81%0.00810%0.096CC..Hα-helixtrans-58.7-49.7173.7-177.4-172.7-56.6122.8-1.8112N129 A167 L168 K173 M174 L175 E430 L433 T435N129-R171 PolarHBondContact OD1-NH1 2.95Å; A167-R171 WeakPolarHBondContact O-CB 3.31Å; A167-R171 PolarHBondContact O-N 3.26Å; L168-R171 PolarHBondContact O-N 3.44Å; R171-K173 VanDerWaalsContact C-N 3.3Å; R171-K173 PolarHBondContact O-N 2.53Å; R171-M174 PolarHBondContact O-N 3.01Å; R171-M174 VanDerWaalsContact O-N 3.15Å; R171-L175 HydrophobicContact CG-CD1 3.66Å; R171-L175 HydrophobicContact CG-CG 4.26Å; R171-L175 WeakPolarHBondContact O-CB 3.45Å; R171-L175 WeakPolarHBondContact O-CG 3.04Å; R171-L175 PolarHBondContact O-N 3.12Å; R171-E430 IonicContact CZ-OE1 2.84Å; R171-E430 IonicContact CZ-OE2 3.74Å; R171-E430 IonicContact NE-OE1 3.63Å; R171-E430 PolarHBondContact NE-OE1 3.48Å; R171-E430 IonicContact NE-OE2 3.52Å; R171-E430 PolarHBondContact NE-OE2 3.34Å; R171-E430 IonicContact NH2-OE1 2.72Å; R171-E430 PolarHBondContact NH2-OE1 3.1Å; R171-E430 IonicContact NH2-OE2 3.26Å; R171-E430 PolarHBondContact NH2-OE2 3.18Å; R171-E430 VanDerWaalsContact NH2-OE2 3.13Å; R171-L433 VanDerWaalsContact CZ-CD1 3.4Å; R171-L433 VanDerWaalsContact NH2-CD1 3.34Å; R171-T435 HydrophobicContact CG-CG2 4.48Å
172T92.7Very high93.5Very high2 Ų219.7 Ų19.71%0.0129%0.092CC..Hα-helixtrans-59.8-41.6179.6-55.50000111.2W142 L145 L168 I169 A176 R177 P178 F180W142-T172 HydrophobicContact CZ3-CG2 4.05Å; L145-T172 HydrophobicContact CD2-CG2 3.69Å; L168-T172 WeakPolarHBondContact O-CB 3.25Å; L168-T172 PolarHBondContact O-N 2.94Å; L168-T172 PolarHBondContact O-OG1 3.39Å; I169-T172 PolarHBondContact O-N 3.28Å; T172-A176 WeakPolarHBondContact O-CB 3.09Å; T172-A176 PolarHBondContact O-N 3.13Å; T172-R177 PolarHBondContact O-N 3.04Å; T172-P178 HydrophobicContact CG2-CG 3.86Å; T172-F180 HydrophobicContact CG2-CE1 4.29Å; T172-F180 HydrophobicContact CG2-CZ 4.1Å
173K93.9Very high93.6Very high8 Ų819.7 Ų19.74%0.0359%0.092CC..Hα-helixtrans-61.5-45.8175-179.6-174.562.5163.10111.3I169 T170 R171 R177 F180 W196 V199 N448I169-K173 VanDerWaalsContact O-CB 3.32Å; I169-K173 WeakPolarHBondContact O-CB 2.88Å; I169-K173 PolarHBondContact O-N 2.96Å; T170-K173 WeakPolarHBondContact O-CB 3.41Å; T170-K173 PolarHBondContact O-N 3.3Å; R171-K173 VanDerWaalsContact C-N 3.3Å; R171-K173 PolarHBondContact O-N 2.53Å; K173-R177 WeakPolarHBondContact O-CA 3.31Å; K173-R177 WeakPolarHBondContact O-CG 3.04Å; K173-R177 PolarHBondContact O-N 3.03Å; K173-F180 HydrophobicContact CB-CE2 3.88Å; K173-F180 HydrophobicContact CB-CZ 3.96Å; K173-F180 HydrophobicContact CG-CE2 4.22Å; K173-W196 WeakPolarHBondContact CD-O 3.37Å; K173-W196 WeakPolarHBondContact CE-O 3.49Å; K173-W196 PolarHBondContact NZ-O 3.35Å; K173-V199 HydrophobicContact CG-CG2 4.01Å; K173-N448 WeakPolarHBondContact CE-OD1 3.25Å; K173-N448 PolarHBondContact NZ-O 3.26Å; K173-N448 PolarHBondContact NZ-OD1 3.04Å
174M91.5Very high93.6Very high38 Ų3819.7 Ų19.719%0.1879%0.092CC..Hα-helixtrans-70.3-42.3-176.9-71.717667.300113T170 R171 W445 N448T170-M174 HydrophobicContact CG2-SD 4Å; T170-M174 VanDerWaalsContact O-CG 3.32Å; T170-M174 WeakPolarHBondContact O-CG 3.29Å; T170-M174 PolarHBondContact O-N 3.27Å; R171-M174 PolarHBondContact O-N 3.01Å; R171-M174 VanDerWaalsContact O-N 3.15Å; M174-W445 HydrophobicContact CE-CB 4.26Å; M174-W445 HydrophobicContact SD-CB 4.27Å; M174-W445 HydrophobicContact SD-CG 4.35Å; M174-N448 HydrophobicContact CG-CB 4.24Å; M174-N448 HydrophobicContact SD-CB 3.93Å
175L90.2Very high93.1Very high77 Ų7717.5 Ų17.540%0.4038%0.081SC..Hα-helixtrans-89.3-42.6-172.5-60.7-178.3000114W142 R171 T435W142-L175 HydrophobicContact CG-CB 4.35Å; R171-L175 HydrophobicContact CG-CD1 3.66Å; R171-L175 HydrophobicContact CG-CG 4.26Å; R171-L175 WeakPolarHBondContact O-CB 3.45Å; R171-L175 WeakPolarHBondContact O-CG 3.04Å; R171-L175 PolarHBondContact O-N 3.12Å; L175-T435 HydrophobicContact CD2-CG2 4.44Å
176A89.9Confident92.1Very high21 Ų2118.1 Ų18.117%0.1749%0.086CC..THydrogen-bonded Turntrans-106.5-25.4-172.900000113.9W142 L145 T172 P178W142-A176 HydrophobicContact CB-CB 3.91Å; W142-A176 HydrophobicContact CD2-CB 4.29Å; W142-A176 HydrophobicContact CE3-CB 3.85Å; W142-A176 HydrophobicContact CG-CB 4.35Å; W142-A176 WeakPolarHBondContact O-CB 3.48Å; L145-A176 HydrophobicContact CB-CB 4.36Å; L145-A176 HydrophobicContact CD2-CB 3.99Å; T172-A176 WeakPolarHBondContact O-CB 3.09Å; T172-A176 PolarHBondContact O-N 3.13Å; A176-P178 VanDerWaalsContact C-CD 3.45Å; A176-P178 VanDerWaalsContact C-N 3.34Å
177R91.5Very high91.4Very high172 Ų17218.2 Ų18.265%0.6499%0.086SC*.  trans46.247.7-175.9-60.4173.5-177179.90.9113.7T172 K173 V199T172-R177 PolarHBondContact O-N 3.04Å; K173-R177 WeakPolarHBondContact O-CA 3.31Å; K173-R177 WeakPolarHBondContact O-CG 3.04Å; K173-R177 PolarHBondContact O-N 3.03Å; R177-V199 HydrophobicContact CG-CG1 4.38Å; R177-V199 HydrophobicContact CG-CG2 4.41Å
178P93.6Very high90.9Very high9 Ų920.3 Ų20.36%0.05810%0.101CC..  trans-71.2166.8-178.834.4-37.2000111L145 C148 T172 A176 F180L145-P178 HydrophobicContact CD2-CB 4.22Å; L145-P178 HydrophobicContact CD2-CG 4.04Å; L145-P178 HydrophobicContact CG-CB 4.01Å; L145-P178 HydrophobicContact CG-CG 4.39Å; C148-P178 HydrophobicContact CB-CB 4.2Å; C148-P178 HydrophobicContact CB-CG 3.72Å; T172-P178 HydrophobicContact CG2-CG 3.86Å; A176-P178 VanDerWaalsContact C-CD 3.45Å; A176-P178 VanDerWaalsContact C-N 3.34Å; P178-F180 HydrophobicContact CG-CD2 4.43Å; P178-F180 HydrophobicContact CG-CE1 4.07Å; P178-F180 HydrophobicContact CG-CE2 3.92Å; P178-F180 HydrophobicContact CG-CZ 3.72Å; P178-F180 WeakPolarHBondContact O-CD2 3.35Å; P178-F180 PolarHBondContact O-N 2.91Å
179R95.9Very high90.7Very high26 Ų2620.8 Ų20.810%0.09810%0.103CC..EExtended strand (participates in β ladder)trans-72.4112.1166.2-177-176-174.5-177.35108.8I29 T32 N33 K34 K146 L147 C148I29-R179 PolarHBondContact O-NH1 2.78Å; I29-R179 PolarHBondContact O-NH2 3.2Å; T32-R179 VanDerWaalsContact O-CZ 3.28Å; T32-R179 PolarHBondContact O-NH1 2.96Å; T32-R179 PolarHBondContact O-NH2 2.92Å; N33-R179 WeakPolarHBondContact O-CD 3.38Å; N33-R179 PolarHBondContact O-NE 3.42Å; K34-R179 PolarHBondContact O-NE 3.1Å; K34-R179 PolarHBondContact O-NH2 2.84Å; K146-R179 PolarHBondContact O-N 3.34Å; L147-R179 HydrophobicContact CD2-CB 3.8Å; L147-R179 HydrophobicContact CD2-CG 4.25Å; C148-R179 PolarHBondContact N-O 2.91Å; C148-R179 VanDerWaalsContact N-O 3.11Å
180F96.9Very high90.6Very high1 Ų120.7 Ų20.70%0.00410%0.103CC..EExtended strand (participates in β ladder)trans-81.7135.8176.6-70.6-80000110.7S35 L36 C148 I150 I169 T172 K173 P178 L197S35-F180 CarbonylContact C-O 3.6Å; S35-F180 WeakPolarHBondContact CA-O 3.13Å; S35-F180 VanDerWaalsContact CB-O 3.24Å; S35-F180 WeakPolarHBondContact CB-O 3.33Å; S35-F180 PolarHBondContact OG-N 3.27Å; L36-F180 PolarHBondContact N-O 3.44Å; C148-F180 HydrophobicContact CB-CD1 3.77Å; C148-F180 HydrophobicContact CB-CE1 3.76Å; C148-F180 WeakPolarHBondContact O-CA 3.24Å; I150-F180 HydrophobicContact CD1-CD1 4.12Å; I169-F180 HydrophobicContact CD1-CE1 4.48Å; I169-F180 HydrophobicContact CG2-CE1 4.06Å; I169-F180 HydrophobicContact CG2-CZ 4.4Å; T172-F180 HydrophobicContact CG2-CE1 4.29Å; T172-F180 HydrophobicContact CG2-CZ 4.1Å; K173-F180 HydrophobicContact CB-CE2 3.88Å; K173-F180 HydrophobicContact CB-CZ 3.96Å; K173-F180 HydrophobicContact CG-CE2 4.22Å; P178-F180 HydrophobicContact CG-CD2 4.43Å; P178-F180 HydrophobicContact CG-CE1 4.07Å; P178-F180 HydrophobicContact CG-CE2 3.92Å; P178-F180 HydrophobicContact CG-CZ 3.72Å; P178-F180 WeakPolarHBondContact O-CD2 3.35Å; P178-F180 PolarHBondContact O-N 2.91Å; F180-L197 HydrophobicContact CB-CD1 4.33Å; F180-L197 HydrophobicContact CD1-CD2 4.26Å; F180-L197 HydrophobicContact CD2-CD2 4.28Å; F180-L197 HydrophobicContact CG-CD2 4.11Å
181I97Very high90.5Very high0 Ų024.5 Ų24.50%012%0.121CC..EExtended strand (participates in β ladder)trans-127118.3165.5-56.2-175000107.7L36 I49 F50 A53 C148 F149 I150L36-I181 HydrophobicContact CB-CG1 4.43Å; L36-I181 HydrophobicContact CB-CG2 4.45Å; L36-I181 HydrophobicContact CD2-CG2 4.34Å; L36-I181 CarbonylContact O-C 3.6Å; L36-I181 WeakPolarHBondContact O-CA 3.32Å; I49-I181 HydrophobicContact CG2-CG2 3.85Å; F50-I181 HydrophobicContact CD1-CB 4.31Å; F50-I181 HydrophobicContact CD1-CG2 3.87Å; F50-I181 HydrophobicContact CE1-CB 4.37Å; F50-I181 HydrophobicContact CE1-CG2 3.9Å; F50-I181 WeakPolarHBondContact CE1-O 3.48Å; A53-I181 HydrophobicContact CB-CD1 3.12Å; C148-I181 PolarHBondContact O-N 3.02Å; F149-I181 CarbonylContact C-O 3.56Å; F149-I181 VanDerWaalsContact CA-O 3.29Å; F149-I181 WeakPolarHBondContact CA-O 3.26Å; F149-I181 HydrophobicContact CD1-CB 3.8Å; F149-I181 HydrophobicContact CD1-CD1 4.39Å; F149-I181 HydrophobicContact CD1-CG1 4.26Å; F149-I181 HydrophobicContact CE1-CB 4.16Å; F149-I181 HydrophobicContact CE1-CD1 3.86Å; F149-I181 HydrophobicContact CE1-CG1 4.16Å; I150-I181 PolarHBondContact N-O 2.87Å
182C95.7Very high90.5Very high0 Ų024.5 Ų24.50%012%0.121CC..EExtended strand (participates in β ladder)trans-117.9133-175.3-54.70000109.2L36 V37 V38 I150 V153 L197L36-C182 PolarHBondContact O-N 2.9Å; V37-C182 CarbonylContact C-O 3.56Å; V37-C182 HydrophobicContact CG1-CB 4.22Å; V37-C182 HydrophobicContact CG2-CB 4.33Å; V38-C182 PolarHBondContact N-O 2.86Å; I150-C182 HydrophobicContact CB-CB 4.38Å; I150-C182 VanDerWaalsContact CD1-SG 3.58Å; I150-C182 VanDerWaalsContact O-CA 3.32Å; I150-C182 WeakPolarHBondContact O-CA 3.46Å; V153-C182 HydrophobicContact CG1-CB 4.35Å; C182-L197 HydrophobicContact CB-CD1 4.42Å; C182-L197 WeakPolarHBondContact SG-CD1 3.43Å
183A93.1Very high90.6Very high0 Ų024.4 Ų24.40%012%0.12CC..EExtended strand (participates in β ladder)trans-127.6143.3175.700000109.6V38 K46 F50 I150 E152 V153V38-A183 CarbonylContact O-C 3.54Å; V38-A183 WeakPolarHBondContact O-CA 3.43Å; K46-A183 HydrophobicContact CB-CB 4.19Å; K46-A183 HydrophobicContact CD-CB 4.14Å; F50-A183 HydrophobicContact CE1-CB 4.17Å; F50-A183 HydrophobicContact CE2-CB 4.03Å; F50-A183 HydrophobicContact CZ-CB 3.46Å; F50-A183 VanDerWaalsContact CZ-CB 3.46Å; I150-A183 PolarHBondContact O-N 2.98Å; E152-A183 WeakPolarHBondContact CA-O 3.39Å; E152-A183 PolarHBondContact N-O 2.9Å; V153-A183 PolarHBondContact N-O 3.46Å
184S90.4Very high90.7Very high0 Ų024.2 Ų24.20%012%0.12CC..EExtended strand (participates in β ladder)trans-155.1153.5176.4-1780000111.8V38 S39 A40 H154V38-S184 PolarHBondContact O-N 2.88Å; S39-S184 WeakPolarHBondContact CA-O 3.44Å; A40-S184 PolarHBondContact N-O 2.59Å; H154-S184 WeakPolarHBondContact CB-OG 3.35Å; H154-S184 PolarHBondContact ND1-OG 3.21Å
185A81.6Confident90.9Very high1 Ų126.9 Ų26.91%0.00813%0.132CC..SBendtrans-68.9135.8161.800000111.6A40 T42 E152 L187A40-A185 WeakPolarHBondContact O-CA 3.32Å; T42-A185 HydrophobicContact CG2-CB 3.8Å; E152-A185 PolarHBondContact OE2-N 3.26Å; E152-A185 VanDerWaalsContact OE2-N 3.1Å; A185-L187 PolarHBondContact O-N 3.47Å
186S73Confident91.1Very high22 Ų2223.3 Ų23.315%0.15411%0.114CC..SBendtrans3778160.354.20000115.8S39 S376S39-S186 PolarHBondContact OG-N 3.4Å; S186-S376 PolarHBondContact OG-OG 2.89Å
187L81.7Confident91.4Very high2 Ų222.4 Ų22.41%0.0111%0.106CC..  trans-108.1125.1177-68.9177.9000108.8S39 V153 H154 A185 V190 I415S39-L187 WeakPolarHBondContact OG-CB 3.48Å; S39-L187 PolarHBondContact OG-N 3.37Å; V153-L187 HydrophobicContact CG1-CD1 3.95Å; H154-L187 HydrophobicContact CB-CD2 3.61Å; A185-L187 PolarHBondContact O-N 3.47Å; L187-V190 HydrophobicContact CB-CG2 3.67Å; L187-V190 HydrophobicContact CD1-CG2 4.43Å; L187-V190 WeakPolarHBondContact O-CG2 3.29Å; L187-I415 HydrophobicContact CD2-CD1 3.09Å; L187-I415 HydrophobicContact CD2-CG1 4.06Å
188S82.8Confident91.4Very high45 Ų4515.7 Ų15.732%0.3159%0.085SC..SBendtrans-75.7-42175.353.70000112D413 E414S188-D413 PolarHBondContact OG-O 3.28Å; S188-E414 VanDerWaalsContact OG-CA 3.22Å; S188-E414 WeakPolarHBondContact OG-CA 3.5Å; S188-E414 WeakPolarHBondContact OG-CG 3.32Å; S188-E414 PolarHBondContact OG-N 3.15Å
189N89.9Confident91.1Very high9 Ų918.6 Ų18.65%0.04810%0.102CC..  trans-106.848.3-171.665.3-38.8000113.9Q191 D192 I415 R454N189-Q191 PolarHBondContact O-N 3.04Å; N189-Q191 VanDerWaalsContact O-N 3.09Å; N189-D192 HydrophobicContact CB-CB 4.48Å; N189-D192 VanDerWaalsContact CB-OD2 3.28Å; N189-D192 WeakPolarHBondContact CB-OD2 3.34Å; N189-D192 PolarHBondContact ND2-OD2 3.34Å; N189-D192 WeakPolarHBondContact O-CB 3.32Å; N189-D192 PolarHBondContact O-N 2.98Å; N189-I415 PolarHBondContact ND2-O 2.98Å; N189-I415 PolarHBondContact OD1-N 2.9Å; N189-I415 VanDerWaalsContact OD1-N 3.14Å; N189-R454 PolarHBondContact ND2-NH1 3.48Å
190V92Very high90.6Very high0 Ų021.8 Ų21.80%013%0.125CC..Hα-helixtrans-54-33-179.6-169.10000112.6V37 L187 D192 I193 A194 F206V37-V190 HydrophobicContact CB-CG1 4.11Å; V37-V190 HydrophobicContact CG1-CG1 3.58Å; L187-V190 HydrophobicContact CB-CG2 3.67Å; L187-V190 HydrophobicContact CD1-CG2 4.43Å; L187-V190 WeakPolarHBondContact O-CG2 3.29Å; V190-D192 VanDerWaalsContact C-N 3.27Å; V190-D192 PolarHBondContact O-N 2.98Å; V190-I193 PolarHBondContact O-N 3.02Å; V190-A194 PolarHBondContact O-N 3.48Å; V190-F206 HydrophobicContact CG1-CB 3.79Å; V190-F206 HydrophobicContact CG1-CD2 4.34Å; V190-F206 HydrophobicContact CG1-CG 4.4Å
191Q93.6Very high89.8Confident80 Ų8031.2 Ų31.237%0.37417%0.169SC..Hα-helixtrans-62.9-31.6178.4-63.881.9-7.100112.5N189 Q195 F206N189-Q191 PolarHBondContact O-N 3.04Å; N189-Q191 VanDerWaalsContact O-N 3.09Å; Q191-Q195 WeakPolarHBondContact O-CB 3.15Å; Q191-Q195 PolarHBondContact O-N 3.24Å; Q191-F206 HydrophobicContact CG-CD2 4.25Å; Q191-F206 HydrophobicContact CG-CE1 4.02Å; Q191-F206 HydrophobicContact CG-CE2 3.63Å; Q191-F206 HydrophobicContact CG-CZ 3.51Å
192D94.7Very high89.2Confident1 Ų133.4 Ų33.41%0.00519%0.192CC..Hα-helixtrans-67.7-44.2174.8-75.3-45.5000111.3N189 V190 A194 Q195 W196 F450 V453 R454 R457N189-D192 HydrophobicContact CB-CB 4.48Å; N189-D192 VanDerWaalsContact CB-OD2 3.28Å; N189-D192 WeakPolarHBondContact CB-OD2 3.34Å; N189-D192 PolarHBondContact ND2-OD2 3.34Å; N189-D192 WeakPolarHBondContact O-CB 3.32Å; N189-D192 PolarHBondContact O-N 2.98Å; V190-D192 VanDerWaalsContact C-N 3.27Å; V190-D192 PolarHBondContact O-N 2.98Å; D192-A194 VanDerWaalsContact C-N 3.31Å; D192-A194 PolarHBondContact O-N 3.07Å; D192-Q195 PolarHBondContact O-N 3.11Å; D192-W196 WeakPolarHBondContact O-CB 3.48Å; D192-W196 PolarHBondContact O-N 2.96Å; D192-F450 HydrophobicContact CB-CE2 3.6Å; D192-F450 HydrophobicContact CB-CZ 4.18Å; D192-V453 HydrophobicContact CB-CG1 4Å; D192-V453 WeakPolarHBondContact OD1-CG1 3.47Å; D192-R454 IonicContact OD2-CZ 3.65Å; D192-R454 IonicContact OD2-NH1 3.69Å; D192-R454 PolarHBondContact OD2-NH1 3.47Å; D192-R457 WeakPolarHBondContact OD1-CD 3.26Å; D192-R457 IonicContact OD1-CZ 2.71Å; D192-R457 IonicContact OD1-NE 2.83Å; D192-R457 PolarHBondContact OD1-NE 3.34Å; D192-R457 IonicContact OD1-NH1 2.68Å; D192-R457 PolarHBondContact OD1-NH1 3.46Å; D192-R457 IonicContact OD1-NH2 3.45Å; D192-R457 PolarHBondContact OD1-NH2 2.98Å; D192-R457 IonicContact OD2-NH1 3.58Å
193I94.7Very high89Confident0 Ų034.5 Ų34.50%020%0.2CC..Hα-helixtrans-63.7-41.9177.5-57.4-68.1000109.8V37 V153 I156 V190 W196 L197 F450V37-I193 HydrophobicContact CG1-CB 4.16Å; V37-I193 HydrophobicContact CG1-CG2 3.78Å; V37-I193 HydrophobicContact CG2-CG2 4.08Å; V153-I193 HydrophobicContact CG1-CG2 4.4Å; V153-I193 HydrophobicContact CG2-CD1 4.39Å; V153-I193 HydrophobicContact CG2-CG2 4.22Å; I156-I193 HydrophobicContact CG2-CD1 4.47Å; V190-I193 PolarHBondContact O-N 3.02Å; I193-W196 HydrophobicContact CD1-CE3 4.34Å; I193-W196 HydrophobicContact CG2-CE3 4.48Å; I193-W196 PolarHBondContact O-N 3.4Å; I193-L197 HydrophobicContact CG2-CD1 3.95Å; I193-L197 WeakPolarHBondContact O-CG 3.31Å; I193-L197 PolarHBondContact O-N 3.11Å; I193-F450 HydrophobicContact CD1-CD2 3.98Å; I193-F450 HydrophobicContact CD1-CE1 4.44Å; I193-F450 HydrophobicContact CD1-CE2 3.42Å; I193-F450 VanDerWaalsContact CD1-CE2 3.42Å; I193-F450 HydrophobicContact CD1-CZ 3.7Å; I193-F450 HydrophobicContact CG1-CE2 4.17Å
194A95.2Very high89.1Confident5 Ų535.2 Ų35.24%0.04120%0.204CC..Hα-helixtrans-62.7-42.5175.700000112.2V37 V190 D192 L197 S198 V204 F206V37-A194 HydrophobicContact CG2-CB 4.28Å; V190-A194 PolarHBondContact O-N 3.48Å; D192-A194 VanDerWaalsContact C-N 3.31Å; D192-A194 PolarHBondContact O-N 3.07Å; A194-L197 PolarHBondContact O-N 3.19Å; A194-S198 PolarHBondContact O-N 3.19Å; A194-S198 PolarHBondContact O-OG 3.47Å; A194-V204 HydrophobicContact CB-CB 4.39Å; A194-V204 HydrophobicContact CB-CG1 3.95Å; A194-V204 WeakPolarHBondContact O-CG2 3.3Å; A194-F206 HydrophobicContact CB-CB 4.02Å; A194-F206 HydrophobicContact CB-CD1 3.85Å; A194-F206 HydrophobicContact CB-CG 4.24Å
195Q94.8Very high89.3Confident93 Ų9336.5 Ų36.544%0.43521%0.212SC..Hα-helixtrans-62.9-44.5174.9-179177.8-12.500111.4Q191 D192 L197 S198 V453Q191-Q195 WeakPolarHBondContact O-CB 3.15Å; Q191-Q195 PolarHBondContact O-N 3.24Å; D192-Q195 PolarHBondContact O-N 3.11Å; Q195-L197 VanDerWaalsContact C-N 3.34Å; Q195-L197 PolarHBondContact O-N 3.24Å; Q195-S198 WeakPolarHBondContact O-CB 3.27Å; Q195-S198 PolarHBondContact O-N 3.48Å; Q195-V453 HydrophobicContact CB-CG1 4.4Å; Q195-V453 HydrophobicContact CG-CG1 4.38Å; Q195-V453 HydrophobicContact CG-CG2 4.24Å
196W95.5Very high89.9Confident3 Ų340.9 Ų40.91%0.01123%0.231CC..Hα-helixtrans-60.8-41.3178.6169.846.1000112.7V153 I156 E166 I169 T170 K173 D192 I193 S198 N448 F450 V453V153-W196 HydrophobicContact CG2-CZ3 4.41Å; I156-W196 HydrophobicContact CD1-CE3 4.18Å; I156-W196 HydrophobicContact CD1-CH2 3.45Å; I156-W196 VanDerWaalsContact CD1-CH2 3.45Å; I156-W196 HydrophobicContact CD1-CZ2 4.14Å; I156-W196 HydrophobicContact CD1-CZ3 3.47Å; I156-W196 VanDerWaalsContact CD1-CZ3 3.47Å; E166-W196 HydrophobicContact CG-CZ2 4.03Å; I169-W196 HydrophobicContact CB-CH2 3.61Å; I169-W196 HydrophobicContact CB-CZ2 3.66Å; I169-W196 HydrophobicContact CG1-CH2 4.17Å; I169-W196 HydrophobicContact CG2-CH2 3.52Å; I169-W196 HydrophobicContact CG2-CZ2 3.58Å; I169-W196 HydrophobicContact CG2-CZ3 4.23Å; T170-W196 PolarHBondContact OG1-NE1 3.44Å; K173-W196 WeakPolarHBondContact CD-O 3.37Å; K173-W196 WeakPolarHBondContact CE-O 3.49Å; K173-W196 PolarHBondContact NZ-O 3.35Å; D192-W196 WeakPolarHBondContact O-CB 3.48Å; D192-W196 PolarHBondContact O-N 2.96Å; I193-W196 HydrophobicContact CD1-CE3 4.34Å; I193-W196 HydrophobicContact CG2-CE3 4.48Å; I193-W196 PolarHBondContact O-N 3.4Å; W196-S198 VanDerWaalsContact C-N 3.26Å; W196-S198 PolarHBondContact O-N 2.91Å; W196-N448 PolarHBondContact NE1-O 2.83Å; W196-N448 VanDerWaalsContact NE1-O 3.16Å; W196-F450 HydrophobicContact CB-CD2 3.93Å; W196-F450 VanDerWaalsContact CD1-N 3.3Å; W196-F450 HydrophobicContact CD2-CB 3.72Å; W196-F450 HydrophobicContact CD2-CD2 4.22Å; W196-F450 HydrophobicContact CD2-CG 4.37Å; W196-F450 HydrophobicContact CE3-CB 4.08Å; W196-F450 HydrophobicContact CE3-CD2 4.12Å; W196-F450 HydrophobicContact CE3-CG 4.35Å; W196-F450 HydrophobicContact CG-CB 3.9Å; W196-F450 HydrophobicContact CG-CD2 4.16Å; W196-F450 HydrophobicContact CZ2-CB 4.45Å; W196-V453 HydrophobicContact CB-CG2 4.09Å
197L95.2Very high90.9Very high1 Ų141.9 Ų41.91%0.00523%0.232CC..THydrogen-bonded Turntrans-79.8-5.4179.3-63.5172.5000113.9V37 I169 F180 C182 I193 A194 Q195 V204V37-L197 HydrophobicContact CG2-CD1 3.8Å; I169-L197 HydrophobicContact CG2-CD2 3.59Å; F180-L197 HydrophobicContact CB-CD1 4.33Å; F180-L197 HydrophobicContact CD1-CD2 4.26Å; F180-L197 HydrophobicContact CD2-CD2 4.28Å; F180-L197 HydrophobicContact CG-CD2 4.11Å; C182-L197 HydrophobicContact CB-CD1 4.42Å; C182-L197 WeakPolarHBondContact SG-CD1 3.43Å; I193-L197 HydrophobicContact CG2-CD1 3.95Å; I193-L197 WeakPolarHBondContact O-CG 3.31Å; I193-L197 PolarHBondContact O-N 3.11Å; A194-L197 PolarHBondContact O-N 3.19Å; Q195-L197 VanDerWaalsContact C-N 3.34Å; Q195-L197 PolarHBondContact O-N 3.24Å; L197-V204 HydrophobicContact CB-CG2 4.23Å
198S93.2Very high91.4Very high32 Ų3245.1 Ų45.122%0.22426%0.255CS..  trans-72.2129.8-179.8-64.60000111A194 Q195 W196 S203 V204A194-S198 PolarHBondContact O-N 3.19Å; A194-S198 PolarHBondContact O-OG 3.47Å; Q195-S198 WeakPolarHBondContact O-CB 3.27Å; Q195-S198 PolarHBondContact O-N 3.48Å; W196-S198 VanDerWaalsContact C-N 3.26Å; W196-S198 PolarHBondContact O-N 2.91Å; S198-S203 WeakPolarHBondContact CA-OG 3.34Å; S198-V204 VanDerWaalsContact OG-CG2 3.27Å; S198-V204 WeakPolarHBondContact OG-CG2 3.33Å
199V86Confident91.7Very high69 Ų6943.7 Ų43.742%0.41824%0.243SC..SBendtrans-94.4-38.4171.8179.40000109.7K173 R177 S203K173-V199 HydrophobicContact CG-CG2 4.01Å; R177-V199 HydrophobicContact CG-CG1 4.38Å; R177-V199 HydrophobicContact CG-CG2 4.41Å; V199-S203 PolarHBondContact N-OG 3.28Å; V199-S203 VanDerWaalsContact N-OG 3.14Å
200T85.2Confident91.4Very high93 Ų9344.6 Ų44.657%0.57126%0.255SS*.SBendtrans-129.9157.7170.561.40000108.6G202 S203T200-G202 PolarHBondContact O-N 2.89Å; T200-S203 VanDerWaalsContact O-CB 3.24Å; T200-S203 WeakPolarHBondContact O-CB 3.41Å; T200-S203 PolarHBondContact O-N 3.25Å; T200-S203 PolarHBondContact O-OG 2.99Å; T200-S203 VanDerWaalsContact O-OG 3.06Å
201E81.2Confident90.9Very high199 Ų19947.7 Ų47.793%0.9327%0.269SS*.THydrogen-bonded Turntrans-55.7133.2175.9-67.6-172.7171.900110.9S203E201-S203 VanDerWaalsContact C-N 3.28Å; E201-S203 PolarHBondContact O-N 2.93Å
202G84.9Confident90.5Very high46 Ų4650.7 Ų50.747%0.47428%0.283SS..THydrogen-bonded Turntrans72.510.3-178.600000115.9K34 T200 V204K34-G202 WeakPolarHBondContact CD-O 3.47Å; K34-G202 VanDerWaalsContact CE-O 3.28Å; K34-G202 WeakPolarHBondContact CE-O 3.41Å; K34-G202 PolarHBondContact NZ-O 3.42Å; T200-G202 PolarHBondContact O-N 2.89Å; G202-V204 PolarHBondContact O-N 2.71Å
203S91Very high90Very high24 Ų2454.9 Ų54.917%0.16830%0.301CS..  trans-74.2-11.6177.275.90000114K34 S35 S198 V199 T200 E201K34-S203 WeakPolarHBondContact CA-O 3.45Å; K34-S203 WeakPolarHBondContact CB-O 3.38Å; S35-S203 PolarHBondContact N-O 3.1Å; S198-S203 WeakPolarHBondContact CA-OG 3.34Å; V199-S203 PolarHBondContact N-OG 3.28Å; V199-S203 VanDerWaalsContact N-OG 3.14Å; T200-S203 VanDerWaalsContact O-CB 3.24Å; T200-S203 WeakPolarHBondContact O-CB 3.41Å; T200-S203 PolarHBondContact O-N 3.25Å; T200-S203 PolarHBondContact O-OG 2.99Å; T200-S203 VanDerWaalsContact O-OG 3.06Å; E201-S203 VanDerWaalsContact C-N 3.28Å; E201-S203 PolarHBondContact O-N 2.93Å
204V94Very high89.5Confident15 Ų1555.5 Ų55.59%0.09130%0.304CS..EExtended strand (participates in β ladder)trans-124.3135.5-177.2-1680000109.9S35 V37 A194 L197 S198 G202S35-V204 CarbonylContact O-C 3.51Å; S35-V204 WeakPolarHBondContact O-CA 3.34Å; V37-V204 HydrophobicContact CG2-CG1 3.86Å; A194-V204 HydrophobicContact CB-CB 4.39Å; A194-V204 HydrophobicContact CB-CG1 3.95Å; A194-V204 WeakPolarHBondContact O-CG2 3.3Å; L197-V204 HydrophobicContact CB-CG2 4.23Å; S198-V204 VanDerWaalsContact OG-CG2 3.27Å; S198-V204 WeakPolarHBondContact OG-CG2 3.33Å; G202-V204 PolarHBondContact O-N 2.71Å
205T94.8Very high88.9Confident27 Ų2758.5 Ų58.517%0.16632%0.322CS..EExtended strand (participates in β ladder)trans-107.1148.4169.657.10000109.3K34 S35 L36 V37K34-T205 HydrophobicContact CB-CG2 4.24Å; K34-T205 HydrophobicContact CD-CG2 3.75Å; S35-T205 PolarHBondContact O-N 2.87Å; S35-T205 PolarHBondContact O-OG1 2.96Å; L36-T205 CarbonylContact C-O 3.48Å; L36-T205 WeakPolarHBondContact CA-O 3.39Å; L36-T205 WeakPolarHBondContact CD1-OG1 3.49Å; V37-T205 PolarHBondContact N-O 3.34Å
206F94.3Very high88.4Confident92 Ų9254.3 Ų54.340%0.40430%0.303SS..EExtended strand (participates in β ladder)trans-135.7148.9-18066-92.2000112.2V37 V190 Q191 A194V37-F206 HydrophobicContact CB-CB 4.19Å; V37-F206 CarbonylContact O-C 3.45Å; V37-F206 WeakPolarHBondContact O-CA 3.26Å; V190-F206 HydrophobicContact CG1-CB 3.79Å; V190-F206 HydrophobicContact CG1-CD2 4.34Å; V190-F206 HydrophobicContact CG1-CG 4.4Å; Q191-F206 HydrophobicContact CG-CD2 4.25Å; Q191-F206 HydrophobicContact CG-CE1 4.02Å; Q191-F206 HydrophobicContact CG-CE2 3.63Å; Q191-F206 HydrophobicContact CG-CZ 3.51Å; A194-F206 HydrophobicContact CB-CB 4.02Å; A194-F206 HydrophobicContact CB-CD1 3.85Å; A194-F206 HydrophobicContact CB-CG 4.24Å
207F94Very high88.1Confident44 Ų4458.3 Ų58.319%0.19333%0.329CS..EExtended strand (participates in β ladder)trans-133.3135.8175.9-62.8-95.5000109.6L24 E28 L36 V37 S39 F209L24-F207 HydrophobicContact CD2-CD1 4.05Å; L24-F207 HydrophobicContact CD2-CE1 3.99Å; L24-F207 HydrophobicContact CG-CE1 4.15Å; E28-F207 HydrophobicContact CB-CE2 4.3Å; E28-F207 HydrophobicContact CB-CZ 4.2Å; E28-F207 HydrophobicContact CG-CE2 4.05Å; E28-F207 HydrophobicContact CG-CZ 4.18Å; L36-F207 HydrophobicContact CD1-CD2 3.53Å; L36-F207 HydrophobicContact CD1-CE2 3.47Å; L36-F207 VanDerWaalsContact CD1-CE2 3.47Å; V37-F207 PolarHBondContact O-N 3Å; S39-F207 PolarHBondContact N-O 3.21Å; F207-F209 HydrophobicContact CB-CD2 4.26Å; F207-F209 HydrophobicContact CB-CE2 3.46Å; F207-F209 VanDerWaalsContact CB-CE2 3.46Å; F207-F209 HydrophobicContact CB-CZ 3.76Å; F207-F209 AromaticContact CD1-CZ 3.99Å; F207-F209 HydrophobicContact CD1-CZ 3.99Å; F207-F209 HydrophobicContact CG-CE2 4.24Å; F207-F209 HydrophobicContact CG-CZ 4.14Å
208S91.9Very high87.8Confident69 Ų6959.6 Ų59.648%0.48334%0.336SS..EExtended strand (participates in β ladder)trans-122.6119.3171.8-168.90000109.1
209F89.8Confident87.8Confident16 Ų1664.4 Ų64.47%0.0735%0.349CS..  trans-113.7128178.8-57.5-78.4000109.3I21 L24 I25 V38 S39 A40 P41 F207 F213I21-F209 HydrophobicContact CD1-CB 4.1Å; I21-F209 HydrophobicContact CD1-CD2 4.32Å; I21-F209 HydrophobicContact CD1-CG 4.07Å; I21-F209 HydrophobicContact CG1-CB 4.4Å; I21-F209 HydrophobicContact CG1-CD1 3.89Å; I21-F209 HydrophobicContact CG1-CD2 4.1Å; I21-F209 HydrophobicContact CG1-CE1 4.14Å; I21-F209 HydrophobicContact CG1-CE2 4.34Å; I21-F209 HydrophobicContact CG1-CG 3.87Å; I21-F209 HydrophobicContact CG1-CZ 4.35Å; I21-F209 HydrophobicContact CG2-CD2 3.99Å; I21-F209 HydrophobicContact CG2-CE2 3.72Å; I21-F209 HydrophobicContact CG2-CZ 4.1Å; L24-F209 HydrophobicContact CD2-CE1 3.88Å; L24-F209 HydrophobicContact CD2-CZ 3.9Å; I25-F209 HydrophobicContact CD1-CE2 3.97Å; I25-F209 HydrophobicContact CD1-CZ 4.44Å; I25-F209 HydrophobicContact CG1-CE2 4.37Å; I25-F209 HydrophobicContact CG1-CZ 4.43Å; V38-F209 HydrophobicContact CG1-CD2 4.19Å; V38-F209 HydrophobicContact CG1-CE2 3.99Å; S39-F209 WeakPolarHBondContact O-CD2 3.25Å; S39-F209 PolarHBondContact O-N 2.86Å; A40-F209 HydrophobicContact CB-CB 4.32Å; A40-F209 HydrophobicContact CB-CD2 4.07Å; P41-F209 WeakPolarHBondContact CD-O 3.39Å; F207-F209 HydrophobicContact CB-CD2 4.26Å; F207-F209 HydrophobicContact CB-CE2 3.46Å; F207-F209 VanDerWaalsContact CB-CE2 3.46Å; F207-F209 HydrophobicContact CB-CZ 3.76Å; F207-F209 AromaticContact CD1-CZ 3.99Å; F207-F209 HydrophobicContact CD1-CZ 3.99Å; F207-F209 HydrophobicContact CG-CE2 4.24Å; F207-F209 HydrophobicContact CG-CZ 4.14Å; F209-F213 HydrophobicContact CB-CB 4.16Å; F209-F213 HydrophobicContact CB-CD2 3.87Å; F209-F213 HydrophobicContact CB-CG 4.12Å; F209-F213 HydrophobicContact CD1-CD1 4.15Å; F209-F213 HydrophobicContact CD1-CD2 4.03Å; F209-F213 HydrophobicContact CD1-CE1 4.25Å; F209-F213 HydrophobicContact CD1-CE2 4.13Å; F209-F213 HydrophobicContact CD1-CG 4.05Å; F209-F213 HydrophobicContact CD1-CZ 4.24Å; F209-F213 HydrophobicContact CG-CD2 4.46Å
210G84.4Confident88.2Confident28 Ų2864.3 Ų64.329%0.28934%0.343SS..  trans-78179.7174.600000113.3P41 E212 F213P41-G210 WeakPolarHBondContact CG-O 3.48Å; G210-E212 WeakPolarHBondContact CA-OE1 3.48Å; G210-E212 VanDerWaalsContact CA-OE2 3.23Å; G210-E212 WeakPolarHBondContact CA-OE2 3.19Å; G210-E212 PolarHBondContact N-OE1 3.23Å; G210-E212 PolarHBondContact O-N 3.14Å; G210-F213 PolarHBondContact O-N 2.8Å; G210-F213 VanDerWaalsContact O-N 3.12Å
211E81.7Confident88.7Confident65 Ų6561.3 Ų61.330%0.30433%0.325SS..G310 helixtrans-61.2-21.7-179.9-71.7-82.4-155.400113.3F213 R214 K220E211-F213 PolarHBondContact O-N 3.48Å; E211-R214 WeakPolarHBondContact O-CB 3.38Å; E211-R214 PolarHBondContact O-N 2.83Å; E211-K220 IonicContact OE1-NZ 2.67Å; E211-K220 PolarHBondContact OE1-NZ 2.83Å
212E83.4Confident89.4Confident143 Ų14352.5 Ų52.567%0.66828%0.284SS*.G310 helixtrans-62.3-21.1174.567.9-75.9174.600113.6G210G210-E212 WeakPolarHBondContact CA-OE1 3.48Å; G210-E212 VanDerWaalsContact CA-OE2 3.23Å; G210-E212 WeakPolarHBondContact CA-OE2 3.19Å; G210-E212 PolarHBondContact N-OE1 3.23Å; G210-E212 PolarHBondContact O-N 3.14Å
213F84.4Confident90Very high88 Ų8852.7 Ų52.739%0.38627%0.273SS..G310 helixtrans-91.23.8175.4-66.5-88.3000113.5I21 F209 G210 E211 T215I21-F213 HydrophobicContact CD1-CB 3.56Å; I21-F213 HydrophobicContact CD1-CG 4.43Å; I21-F213 HydrophobicContact CG1-CB 3.97Å; I21-F213 HydrophobicContact CG1-CD1 4.27Å; I21-F213 HydrophobicContact CG1-CG 4.37Å; F209-F213 HydrophobicContact CB-CB 4.16Å; F209-F213 HydrophobicContact CB-CD2 3.87Å; F209-F213 HydrophobicContact CB-CG 4.12Å; F209-F213 HydrophobicContact CD1-CD1 4.15Å; F209-F213 HydrophobicContact CD1-CD2 4.03Å; F209-F213 HydrophobicContact CD1-CE1 4.25Å; F209-F213 HydrophobicContact CD1-CE2 4.13Å; F209-F213 HydrophobicContact CD1-CG 4.05Å; F209-F213 HydrophobicContact CD1-CZ 4.24Å; F209-F213 HydrophobicContact CG-CD2 4.46Å; G210-F213 PolarHBondContact O-N 2.8Å; G210-F213 VanDerWaalsContact O-N 3.12Å; E211-F213 PolarHBondContact O-N 3.48Å; F213-T215 PolarHBondContact O-N 2.86Å
214R84.8Confident90.2Very high14 Ų1452.9 Ų52.95%0.05328%0.278CS..  trans-66.7122175.6-168.4-175.1176.998.86.7109.5P41 T42 E211 S216 G380 A382P41-R214 HydrophobicContact CB-CB 4.36Å; T42-R214 VanDerWaalsContact O-CZ 3.27Å; T42-R214 PolarHBondContact O-NH1 2.6Å; T42-R214 PolarHBondContact OG1-NH1 3.22Å; E211-R214 WeakPolarHBondContact O-CB 3.38Å; E211-R214 PolarHBondContact O-N 2.83Å; R214-S216 WeakPolarHBondContact CD-O 3.37Å; R214-S216 VanDerWaalsContact CG-O 3.28Å; R214-S216 WeakPolarHBondContact CG-O 3.37Å; R214-S216 PolarHBondContact NE-O 3.22Å; R214-S216 PolarHBondContact O-N 2.9Å; R214-S216 VanDerWaalsContact O-N 3.13Å; R214-G380 PolarHBondContact NH2-O 3.15Å; R214-A382 PolarHBondContact NH2-O 2.61Å
215T82.4Confident90.3Very high68 Ų6854 Ų5442%0.41728%0.281SS..SBendtrans-56-32.5-176.4-47.20000113.8F213 P385F213-T215 PolarHBondContact O-N 2.86Å; T215-P385 HydrophobicContact CG2-CB 4.04Å; T215-P385 HydrophobicContact CG2-CG 3.64Å
216S84.8Confident90.2Very high5 Ų559.9 Ų59.94%0.03531%0.31CS..SBendtrans-120.6113.4173.5-64.60000108.5R214 G383 P385 D388R214-S216 WeakPolarHBondContact CD-O 3.37Å; R214-S216 VanDerWaalsContact CG-O 3.28Å; R214-S216 WeakPolarHBondContact CG-O 3.37Å; R214-S216 PolarHBondContact NE-O 3.22Å; R214-S216 PolarHBondContact O-N 2.9Å; R214-S216 VanDerWaalsContact O-N 3.13Å; S216-G383 WeakPolarHBondContact CB-O 3.38Å; S216-G383 PolarHBondContact OG-O 3.39Å; S216-P385 WeakPolarHBondContact OG-CA 3.46Å; S216-P385 WeakPolarHBondContact OG-CG 3.42Å; S216-D388 PolarHBondContact OG-O 3.42Å
217P88.9Confident90Very high87 Ų8759.1 Ų59.157%0.56531%0.306SS*.  trans-55.1142.2-178.7-27.435.2000112.7N389 E390 G391P217-N389 WeakPolarHBondContact CD-O 3.32Å; P217-E390 WeakPolarHBondContact O-CA 3.49Å; P217-G391 PolarHBondContact O-N 3.07Å
218L89.5Confident89.7Confident27 Ų2763.4 Ų63.414%0.14133%0.327CS..EExtended strand (participates in β ladder)trans-114.9113.1-178.4-179.362.1000111K220 I379 A382 G391 A393L218-K220 HydrophobicContact CD2-CG 4.28Å; L218-K220 HydrophobicContact CG-CG 4.14Å; L218-K220 PolarHBondContact O-N 2.88Å; L218-I379 HydrophobicContact CD2-CB 4.13Å; L218-I379 HydrophobicContact CD2-CD1 4.13Å; L218-I379 HydrophobicContact CD2-CG1 3.83Å; L218-A382 HydrophobicContact CD1-CB 3.62Å; L218-G391 WeakPolarHBondContact CA-O 3.47Å; L218-A393 HydrophobicContact CD1-CB 3.98Å; L218-A393 HydrophobicContact CG-CB 4.47Å
219R93.3Very high89.1Confident133 Ų13370.2 Ų70.250%0.50235%0.348SS..EExtended strand (participates in β ladder)trans-80.8112.3171.4-174.3175.367.7176.6-10110V221 Y251 G391 V392 A393R219-V221 HydrophobicContact CG-CG2 4.2Å; R219-Y251 VanDerWaalsContact NH2-CD1 3.34Å; R219-G391 PolarHBondContact N-O 2.88Å; R219-V392 HydrophobicContact CB-CG2 4.5Å; R219-V392 WeakPolarHBondContact O-CA 3.21Å; R219-A393 PolarHBondContact O-N 2.93Å
220K93.5Very high88.8Confident67 Ų6776.5 Ų76.529%0.29138%0.383SS..EExtended strand (participates in β ladder)trans-97126.3179.2-55.7173.5-178.9179.20110.4E211 L218 I379 L409E211-K220 IonicContact OE1-NZ 2.67Å; E211-K220 PolarHBondContact OE1-NZ 2.83Å; L218-K220 HydrophobicContact CD2-CG 4.28Å; L218-K220 HydrophobicContact CG-CG 4.14Å; L218-K220 PolarHBondContact O-N 2.88Å; K220-I379 HydrophobicContact CD-CD1 4.31Å; K220-L409 HydrophobicContact CB-CD1 4.13Å; K220-L409 HydrophobicContact CD-CB 4.21Å; K220-L409 HydrophobicContact CD-CD1 4.47Å; K220-L409 HydrophobicContact CD-CD2 4.28Å; K220-L409 PolarHBondContact NZ-O 3.07Å; K220-L409 VanDerWaalsContact NZ-O 3.13Å
221V95.4Very high88.9Confident31 Ų3176 Ų7619%0.18837%0.372CS..EExtended strand (participates in β ladder)trans-130.7128.4-179.3-176.10000110.3R219 H223 Y251 A393 V394 I395R219-V221 HydrophobicContact CG-CG2 4.2Å; V221-H223 WeakPolarHBondContact CG1-NE2 3.39Å; V221-Y251 HydrophobicContact CG2-CE1 4.28Å; V221-A393 PolarHBondContact N-O 3.4Å; V221-V394 HydrophobicContact CB-CG2 4.47Å; V221-V394 CarbonylContact O-C 3.52Å; V221-V394 WeakPolarHBondContact O-CA 3.46Å; V221-I395 PolarHBondContact O-N 2.84Å
222V96.6Very high89Confident14 Ų1475.2 Ų75.29%0.08538%0.375CS..EExtended strand (participates in β ladder)trans-112.6119.2178.3-171.20000110.7I395 T397 K402 L409V222-I395 HydrophobicContact CG1-CB 4.45Å; V222-I395 HydrophobicContact CG2-CB 4.38Å; V222-T397 HydrophobicContact CG1-CG2 3.81Å; V222-K402 HydrophobicContact CG1-CG 4.02Å; V222-K402 VanDerWaalsContact O-CE 3.28Å; V222-K402 WeakPolarHBondContact O-CE 3.49Å; V222-L409 HydrophobicContact CG2-CD1 3.64Å
223H96.9Very high89Confident49 Ų4969.3 Ų69.323%0.22735%0.347CS..EExtended strand (participates in β ladder)trans-104.8125.6173.7-70.3-65.7000110.7V221 Y225 Y251 I395 T397V221-H223 WeakPolarHBondContact CG1-NE2 3.39Å; H223-Y225 HydrophobicContact CB-CE2 3.67Å; H223-Y251 AromaticContact NE2-CE2 3.82Å; H223-Y251 AromaticContact NE2-CZ 3.89Å; H223-Y251 PolarHBondContact NE2-OH 2.99Å; H223-I395 PolarHBondContact N-O 2.84Å; H223-T397 PolarHBondContact O-N 3.32Å
224G96.1Very high89Confident28 Ų2869.7 Ų69.729%0.28935%0.349SS..EExtended strand (participates in β ladder)trans-100.4126.9175.400000111.1T397G224-T397 CarbonylContact C-O 3.56Å; G224-T397 WeakPolarHBondContact CA-O 3.17Å
225Y95.6Very high89.2Confident40 Ų4072.6 Ų72.616%0.15736%0.363CS..EExtended strand (participates in β ladder)trans-115.1145179.6-59.5-78.6000111.8H223 K227 L240 R243 M396 T397 T398 A399H223-Y225 HydrophobicContact CB-CE2 3.67Å; Y225-K227 PolarHBondContact O-N 2.97Å; Y225-L240 HydrophobicContact CD2-CD2 3.52Å; Y225-L240 HydrophobicContact CE2-CD2 4.14Å; Y225-L240 HydrophobicContact CG-CD2 3.76Å; Y225-R243 HydrophobicContact CD1-CG 4.31Å; Y225-R243 HydrophobicContact CE1-CB 4.31Å; Y225-R243 HydrophobicContact CE1-CG 3.73Å; Y225-M396 HydrophobicContact CD2-CB 4.26Å; Y225-M396 HydrophobicContact CD2-CE 4.37Å; Y225-M396 HydrophobicContact CE2-CB 3.77Å; Y225-M396 HydrophobicContact CE2-CE 3.54Å; Y225-M396 HydrophobicContact CE2-CG 3.93Å; Y225-T397 PolarHBondContact N-O 3.33Å; Y225-T398 CarbonylContact O-C 3.44Å; Y225-T398 VanDerWaalsContact O-CA 3.32Å; Y225-T398 WeakPolarHBondContact O-CA 3.3Å; Y225-A399 PolarHBondContact O-N 3.47Å
226I92.8Very high89.6Confident149 Ų14969.5 Ų69.576%0.76434%0.344SS*.PPolyproline II helixtrans-74.1118.9-179.6-60.5167.8000109.2
227K89Confident89.8Confident76 Ų7669.4 Ų69.433%0.3334%0.343SS..PPolyproline II helixtrans-93.4125.4170.1-179.1178.5175.3-176.20108.7Y225 Q231 F236 E360 T398Y225-K227 PolarHBondContact O-N 2.97Å; K227-Q231 VanDerWaalsContact CE-O 3.31Å; K227-Q231 WeakPolarHBondContact CE-O 3.34Å; K227-Q231 HydrophobicContact CG-CB 4.49Å; K227-F236 HydrophobicContact CB-CD2 3.7Å; K227-F236 HydrophobicContact CB-CE2 3.9Å; K227-F236 HydrophobicContact CB-CG 4.33Å; K227-F236 HydrophobicContact CD-CB 4.45Å; K227-F236 HydrophobicContact CD-CG 4.36Å; K227-F236 HydrophobicContact CG-CB 4.24Å; K227-F236 HydrophobicContact CG-CD2 3.96Å; K227-F236 HydrophobicContact CG-CG 4.17Å; K227-E360 IonicContact NZ-OE2 3.62Å; K227-T398 HydrophobicContact CB-CG2 4.09Å; K227-T398 HydrophobicContact CD-CG2 4.04Å
228Q87.7Confident89.9Confident135 Ų13567.9 Ų67.963%0.63133%0.332SS*.PPolyproline II helixtrans-72.5148.2177.9-60.8176.3-6.900110.3N230 Q231Q228-N230 VanDerWaalsContact C-N 3.27Å; Q228-N230 PolarHBondContact O-N 3.07Å; Q228-Q231 HydrophobicContact CB-CB 4.03Å; Q228-Q231 VanDerWaalsContact O-CB 3.25Å; Q228-Q231 WeakPolarHBondContact O-CB 3.25Å; Q228-Q231 PolarHBondContact O-N 3.33Å
229K80.7Confident90.1Very high212 Ų21269.9 Ų69.992%0.92234%0.343SS*.THydrogen-bonded Turntrans-56.3-36.4-173.5-70.9-172.6177.3-1750114.1
230N83Confident90.1Very high148 Ų14863.7 Ų63.779%0.79132%0.32SS*.THydrogen-bonded Turntrans-94.96.8-178.8-61.8-4.6000113.1Q228Q228-N230 VanDerWaalsContact C-N 3.27Å; Q228-N230 PolarHBondContact O-N 3.07Å
231Q85.2Confident90.2Very high16 Ų1660.9 Ų60.98%0.07531%0.308CS..  trans-87.1119-176.2-171.1173.724.800110.5K227 Q228 Q235 F236 N239K227-Q231 VanDerWaalsContact CE-O 3.31Å; K227-Q231 WeakPolarHBondContact CE-O 3.34Å; K227-Q231 HydrophobicContact CG-CB 4.49Å; Q228-Q231 HydrophobicContact CB-CB 4.03Å; Q228-Q231 VanDerWaalsContact O-CB 3.25Å; Q228-Q231 WeakPolarHBondContact O-CB 3.25Å; Q228-Q231 PolarHBondContact O-N 3.33Å; Q231-Q235 HydrophobicContact CG-CB 3.53Å; Q231-Q235 PolarHBondContact NE2-O 3.01Å; Q231-Q235 VanDerWaalsContact NE2-O 3.11Å; Q231-F236 HydrophobicContact CG-CB 4.23Å; Q231-F236 VanDerWaalsContact NE2-CA 3.32Å; Q231-N239 VanDerWaalsContact NE2-CG 3.32Å; Q231-N239 PolarHBondContact NE2-ND2 3.35Å
232S85.3Confident90.1Very high50 Ų5066.3 Ų66.335%0.3533%0.326SS..  trans-60.3155.6170.565.90000110.8F234 Q235 F236S232-F234 PolarHBondContact O-N 3.32Å; S232-Q235 PolarHBondContact O-N 3.05Å; S232-Q235 VanDerWaalsContact O-N 3.11Å; S232-Q235 WeakPolarHBondContact OG-CB 3.27Å; S232-Q235 VanDerWaalsContact OG-CG 3.25Å; S232-Q235 WeakPolarHBondContact OG-CG 3.01Å; S232-Q235 PolarHBondContact OG-N 3.24Å; S232-Q235 PolarHBondContact OG-OE1 3.02Å; S232-Q235 VanDerWaalsContact OG-OE1 3.11Å; S232-F236 PolarHBondContact O-N 2.87Å
233I83.5Confident90.1Very high19 Ų1972.2 Ų72.210%0.09735%0.347CS..Hα-helixtrans-58.9-35.5178.6-169.251.8000112.6F236 E237 N358 E360 L367I233-F236 HydrophobicContact CD1-CB 4.38Å; I233-F236 HydrophobicContact CD1-CD1 3.89Å; I233-F236 WeakPolarHBondContact O-CB 3.36Å; I233-F236 PolarHBondContact O-N 3.45Å; I233-E237 WeakPolarHBondContact O-CB 3.29Å; I233-E237 PolarHBondContact O-N 3.26Å; I233-N358 WeakPolarHBondContact CD1-ND2 3.49Å; I233-N358 WeakPolarHBondContact CG1-ND2 3.24Å; I233-E360 HydrophobicContact CD1-CB 4.49Å; I233-E360 WeakPolarHBondContact CD1-OE2 3.32Å; I233-E360 HydrophobicContact CG1-CB 4.45Å; I233-L367 HydrophobicContact CB-CD1 4.46Å; I233-L367 HydrophobicContact CB-CD2 4.14Å; I233-L367 HydrophobicContact CG1-CD1 4.12Å; I233-L367 HydrophobicContact CG1-CD2 4.04Å; I233-L367 HydrophobicContact CG2-CD1 4.03Å; I233-L367 HydrophobicContact CG2-CD2 4.37Å
234F83.5Confident90Very high95 Ų9569.9 Ų69.942%0.41734%0.336SS..Hα-helixtrans-68.2-38.3177.4-54-65000112.4S232 E237 V238 T263 V362S232-F234 PolarHBondContact O-N 3.32Å; F234-E237 PolarHBondContact O-N 2.94Å; F234-V238 VanDerWaalsContact O-CG2 3.31Å; F234-V238 WeakPolarHBondContact O-CG2 3.41Å; F234-V238 PolarHBondContact O-N 3.23Å; F234-T263 HydrophobicContact CD1-CG2 4.48Å; F234-T263 HydrophobicContact CE1-CG2 3.9Å; F234-V362 HydrophobicContact CE1-CG2 4.4Å; F234-V362 HydrophobicContact CZ-CG2 4.2Å
235Q88.8Confident89.9Confident75 Ų7570.2 Ų70.235%0.3533%0.333SS..Hα-helixtrans-66.4-39.9172.8-75.4166.2-28.900111Q231 S232 E237 V238 N239Q231-Q235 HydrophobicContact CG-CB 3.53Å; Q231-Q235 PolarHBondContact NE2-O 3.01Å; Q231-Q235 VanDerWaalsContact NE2-O 3.11Å; S232-Q235 PolarHBondContact O-N 3.05Å; S232-Q235 VanDerWaalsContact O-N 3.11Å; S232-Q235 WeakPolarHBondContact OG-CB 3.27Å; S232-Q235 VanDerWaalsContact OG-CG 3.25Å; S232-Q235 WeakPolarHBondContact OG-CG 3.01Å; S232-Q235 PolarHBondContact OG-N 3.24Å; S232-Q235 PolarHBondContact OG-OE1 3.02Å; S232-Q235 VanDerWaalsContact OG-OE1 3.11Å; Q235-E237 VanDerWaalsContact C-N 3.34Å; Q235-V238 PolarHBondContact O-N 3.09Å; Q235-N239 PolarHBondContact O-N 3.04Å; Q235-N239 PolarHBondContact O-OD1 3.05Å
236F91.1Very high89.9Confident3 Ų374.6 Ų74.61%0.01335%0.354CS..Hα-helixtrans-59.8-47.4174.9174.6-105.9000110.7K227 Q231 S232 I233 V238 N239 L240 T398K227-F236 HydrophobicContact CB-CD2 3.7Å; K227-F236 HydrophobicContact CB-CE2 3.9Å; K227-F236 HydrophobicContact CB-CG 4.33Å; K227-F236 HydrophobicContact CD-CB 4.45Å; K227-F236 HydrophobicContact CD-CG 4.36Å; K227-F236 HydrophobicContact CG-CB 4.24Å; K227-F236 HydrophobicContact CG-CD2 3.96Å; K227-F236 HydrophobicContact CG-CG 4.17Å; Q231-F236 HydrophobicContact CG-CB 4.23Å; Q231-F236 VanDerWaalsContact NE2-CA 3.32Å; S232-F236 PolarHBondContact O-N 2.87Å; I233-F236 HydrophobicContact CD1-CB 4.38Å; I233-F236 HydrophobicContact CD1-CD1 3.89Å; I233-F236 WeakPolarHBondContact O-CB 3.36Å; I233-F236 PolarHBondContact O-N 3.45Å; F236-V238 VanDerWaalsContact C-N 3.31Å; F236-V238 PolarHBondContact O-N 3.27Å; F236-N239 WeakPolarHBondContact O-CA 3.48Å; F236-N239 WeakPolarHBondContact O-CB 3.33Å; F236-N239 PolarHBondContact O-N 3.02Å; F236-L240 HydrophobicContact CD1-CD1 4.37Å; F236-L240 HydrophobicContact CE1-CD1 3.92Å; F236-L240 HydrophobicContact CE1-CD2 4.17Å; F236-L240 HydrophobicContact CE1-CG 4.24Å; F236-L240 HydrophobicContact CE2-CD2 4.14Å; F236-L240 HydrophobicContact CZ-CD1 4.39Å; F236-L240 HydrophobicContact CZ-CD2 3.82Å; F236-L240 HydrophobicContact CZ-CG 4.38Å; F236-L240 WeakPolarHBondContact O-CG 3.31Å; F236-L240 PolarHBondContact O-N 3.32Å; F236-L240 VanDerWaalsContact O-N 3.09Å; F236-T398 HydrophobicContact CD1-CG2 4.41Å; F236-T398 HydrophobicContact CE1-CG2 3.76Å; F236-T398 HydrophobicContact CE2-CG2 4.32Å; F236-T398 HydrophobicContact CZ-CG2 3.71Å
237E89.5Confident90Very high4 Ų467.7 Ų67.72%0.01932%0.319CS..Hα-helixtrans-62.2-36178.2-153.9-154.3131.900112.9I233 F234 Q235 L240 T262 K357 N358I233-E237 WeakPolarHBondContact O-CB 3.29Å; I233-E237 PolarHBondContact O-N 3.26Å; F234-E237 PolarHBondContact O-N 2.94Å; Q235-E237 VanDerWaalsContact C-N 3.34Å; E237-L240 WeakPolarHBondContact O-CB 3.44Å; E237-L240 PolarHBondContact O-N 3.11Å; E237-T262 HydrophobicContact CG-CG2 4.37Å; E237-T262 WeakPolarHBondContact OE2-CG2 2.94Å; E237-T262 PolarHBondContact OE2-OG1 3.07Å; E237-K357 HydrophobicContact CG-CD 4.36Å; E237-K357 HydrophobicContact CG-CG 4.41Å; E237-K357 WeakPolarHBondContact O-CE 3.27Å; E237-K357 PolarHBondContact O-NZ 3.23Å; E237-K357 VanDerWaalsContact O-NZ 3.07Å; E237-K357 IonicContact OE1-NZ 3.11Å; E237-K357 PolarHBondContact OE1-NZ 2.98Å; E237-N358 HydrophobicContact CG-CB 4.07Å
238V91.3Very high90.3Very high54 Ų5464.7 Ų64.733%0.32731%0.306SS..Hα-helixtrans-64.5-41.6172.4170.20000110.8F234 Q235 F236 L240 N241F234-V238 VanDerWaalsContact O-CG2 3.31Å; F234-V238 WeakPolarHBondContact O-CG2 3.41Å; F234-V238 PolarHBondContact O-N 3.23Å; Q235-V238 PolarHBondContact O-N 3.09Å; F236-V238 VanDerWaalsContact C-N 3.31Å; F236-V238 PolarHBondContact O-N 3.27Å; V238-L240 PolarHBondContact O-N 3.01Å; V238-N241 WeakPolarHBondContact O-CB 3.27Å; V238-N241 PolarHBondContact O-N 3.48Å
239N92.5Very high90.6Very high70 Ų7062.9 Ų62.937%0.37431%0.309SS..Hα-helixtrans-64-25.9176.9-75.88.7000113.3Q231 Q235 F236 N241 Y242Q231-N239 VanDerWaalsContact NE2-CG 3.32Å; Q231-N239 PolarHBondContact NE2-ND2 3.35Å; Q235-N239 PolarHBondContact O-N 3.04Å; Q235-N239 PolarHBondContact O-OD1 3.05Å; F236-N239 WeakPolarHBondContact O-CA 3.48Å; F236-N239 WeakPolarHBondContact O-CB 3.33Å; F236-N239 PolarHBondContact O-N 3.02Å; N239-N241 PolarHBondContact O-N 3.37Å; N239-Y242 WeakPolarHBondContact O-CD2 3.35Å; N239-Y242 PolarHBondContact O-N 3.11Å
240L95Very high91.2Very high3 Ų355.9 Ų55.92%0.01628%0.284CS..Hα-helixtrans-64.9-24.8174.3-62.5-174.6000112.4Y225 F236 E237 V238 Y242 R243 K357 N358 M396Y225-L240 HydrophobicContact CD2-CD2 3.52Å; Y225-L240 HydrophobicContact CE2-CD2 4.14Å; Y225-L240 HydrophobicContact CG-CD2 3.76Å; F236-L240 HydrophobicContact CD1-CD1 4.37Å; F236-L240 HydrophobicContact CE1-CD1 3.92Å; F236-L240 HydrophobicContact CE1-CD2 4.17Å; F236-L240 HydrophobicContact CE1-CG 4.24Å; F236-L240 HydrophobicContact CE2-CD2 4.14Å; F236-L240 HydrophobicContact CZ-CD1 4.39Å; F236-L240 HydrophobicContact CZ-CD2 3.82Å; F236-L240 HydrophobicContact CZ-CG 4.38Å; F236-L240 WeakPolarHBondContact O-CG 3.31Å; F236-L240 PolarHBondContact O-N 3.32Å; F236-L240 VanDerWaalsContact O-N 3.09Å; E237-L240 WeakPolarHBondContact O-CB 3.44Å; E237-L240 PolarHBondContact O-N 3.11Å; V238-L240 PolarHBondContact O-N 3.01Å; L240-Y242 VanDerWaalsContact C-N 3.25Å; L240-Y242 PolarHBondContact O-N 3.46Å; L240-R243 WeakPolarHBondContact O-CB 3.11Å; L240-R243 PolarHBondContact O-N 3.11Å; L240-K357 HydrophobicContact CB-CG 4.18Å; L240-K357 HydrophobicContact CD1-CG 4.1Å; L240-N358 HydrophobicContact CD1-CB 4.05Å; L240-M396 HydrophobicContact CB-CE 3.73Å; L240-M396 HydrophobicContact CD1-CB 4.14Å; L240-M396 HydrophobicContact CD1-CE 4.41Å; L240-M396 HydrophobicContact CD2-CE 4.05Å; L240-M396 HydrophobicContact CG-CE 4.26Å
241N95.3Very high91.8Very high7 Ų750.4 Ų50.44%0.03725%0.252CS..G310 helixtrans-56.5-38.8179.4-72-19.8000112.5V238 N239 R243 L244 P245 T270 Y273 K357V238-N241 WeakPolarHBondContact O-CB 3.27Å; V238-N241 PolarHBondContact O-N 3.48Å; N239-N241 PolarHBondContact O-N 3.37Å; N241-R243 PolarHBondContact O-N 2.84Å; N241-L244 HydrophobicContact CB-CD1 4.49Å; N241-L244 WeakPolarHBondContact O-CB 3.29Å; N241-L244 PolarHBondContact O-N 3.25Å; N241-P245 WeakPolarHBondContact O-CD 3.28Å; N241-T270 PolarHBondContact OD1-OG1 3.37Å; N241-Y273 VanDerWaalsContact C-CE1 3.49Å; N241-Y273 HydrophobicContact CB-CD1 3.72Å; N241-Y273 HydrophobicContact CB-CD2 4.05Å; N241-Y273 HydrophobicContact CB-CE1 4.04Å; N241-Y273 HydrophobicContact CB-CE2 4.35Å; N241-Y273 HydrophobicContact CB-CG 3.74Å; N241-Y273 WeakPolarHBondContact O-CE1 3.38Å; N241-K357 WeakPolarHBondContact OD1-CE 3.47Å; N241-K357 PolarHBondContact OD1-NZ 3.13Å; N241-K357 VanDerWaalsContact OD1-NZ 3.14Å
242Y93.7Very high92.1Very high146 Ų14649.9 Ų49.957%0.57325%0.25SS*.G310 helixtrans-60.5-16.8178.9-60.9-75.6000114N239 L240 Y273N239-Y242 WeakPolarHBondContact O-CD2 3.35Å; N239-Y242 PolarHBondContact O-N 3.11Å; L240-Y242 VanDerWaalsContact C-N 3.25Å; L240-Y242 PolarHBondContact O-N 3.46Å; Y242-Y273 WeakPolarHBondContact CA-OH 3.27Å; Y242-Y273 HydrophobicContact CD1-CE2 4.11Å; Y242-Y273 AromaticContact CD1-CZ 3.9Å; Y242-Y273 WeakPolarHBondContact CD1-OH 3.49Å; Y242-Y273 HydrophobicContact CE1-CE2 4.06Å
243R94.9Very high92.2Very high138 Ų13851.3 Ų51.352%0.52126%0.26SS..G310 helixtrans-95.3-19.7-179.8-51-56.2-178.2179.8-0.1112.5Y225 L240 N241 H246 L247 M396Y225-R243 HydrophobicContact CD1-CG 4.31Å; Y225-R243 HydrophobicContact CE1-CB 4.31Å; Y225-R243 HydrophobicContact CE1-CG 3.73Å; L240-R243 WeakPolarHBondContact O-CB 3.11Å; L240-R243 PolarHBondContact O-N 3.11Å; N241-R243 PolarHBondContact O-N 2.84Å; R243-H246 PolarHBondContact O-N 3.32Å; R243-L247 WeakPolarHBondContact O-CG 3.45Å; R243-L247 PolarHBondContact O-N 3.4Å; R243-L247 VanDerWaalsContact O-N 3.08Å; R243-M396 HydrophobicContact CB-CE 3.87Å
244L96.2Very high92.4Very high0 Ų057.5 Ų57.50%029%0.294CS..Hα-helixtrans-60.6-44.2-173.8-64.3173.9000113.6N241 H246 L247 I248 I259 T270 I274 I355 K357 M396N241-L244 HydrophobicContact CB-CD1 4.49Å; N241-L244 WeakPolarHBondContact O-CB 3.29Å; N241-L244 PolarHBondContact O-N 3.25Å; L244-H246 VanDerWaalsContact C-N 3.31Å; L244-H246 PolarHBondContact O-N 3.19Å; L244-L247 PolarHBondContact O-N 2.96Å; L244-I248 HydrophobicContact CB-CD1 4.4Å; L244-I248 WeakPolarHBondContact O-CB 3.4Å; L244-I248 VanDerWaalsContact O-CG1 3.25Å; L244-I248 WeakPolarHBondContact O-CG1 3.11Å; L244-I248 PolarHBondContact O-N 3.42Å; L244-I259 HydrophobicContact CD2-CD1 4.49Å; L244-T270 HydrophobicContact CD1-CG2 3.34Å; L244-I274 HydrophobicContact CD1-CD1 4.25Å; L244-I274 HydrophobicContact CD1-CG1 4.48Å; L244-I355 HydrophobicContact CD2-CD1 4.23Å; L244-I355 HydrophobicContact CD2-CG2 4.13Å; L244-K357 HydrophobicContact CD1-CD 4.45Å; L244-M396 HydrophobicContact CD2-CE 4.41Å; L244-M396 HydrophobicContact CD2-SD 3.77Å
245P94.3Very high92.7Very high34 Ų3456.9 Ų56.922%0.22129%0.291CS..Hα-helixtrans-58.2-42.3179-26.235.7000113.1N241 S249 Y273 H277 I278N241-P245 WeakPolarHBondContact O-CD 3.28Å; P245-S249 WeakPolarHBondContact O-CB 3.49Å; P245-S249 PolarHBondContact O-N 2.9Å; P245-Y273 HydrophobicContact CG-CE1 4.2Å; P245-H277 HydrophobicContact CG-CB 4.22Å; P245-I278 HydrophobicContact CB-CD1 4.19Å; P245-I278 HydrophobicContact CB-CG1 4.16Å; P245-I278 HydrophobicContact CG-CD1 4.37Å; P245-I278 HydrophobicContact CG-CG1 4.27Å
246H94.5Very high93Very high133 Ų13354.8 Ų54.862%0.61628%0.284SS*.Hα-helixtrans-66.8-44.5177.1176.561.5000111.9R243 L244 S249 T250R243-H246 PolarHBondContact O-N 3.32Å; L244-H246 VanDerWaalsContact C-N 3.31Å; L244-H246 PolarHBondContact O-N 3.19Å; H246-S249 PolarHBondContact O-N 2.86Å; H246-T250 PolarHBondContact CE1-OG1 3.03Å; H246-T250 VanDerWaalsContact O-CB 3.3Å; H246-T250 WeakPolarHBondContact O-CB 3.21Å; H246-T250 PolarHBondContact O-N 3.47Å; H246-T250 PolarHBondContact O-OG1 3.19Å
247L95.8Very high93.2Very high4 Ų454.8 Ų54.82%0.02128%0.284CS..Hα-helixtrans-62.6-44.5177.3-67177.3000111.7R243 L244 T250 Y251 I355 V394 M396R243-L247 WeakPolarHBondContact O-CG 3.45Å; R243-L247 PolarHBondContact O-N 3.4Å; R243-L247 VanDerWaalsContact O-N 3.08Å; L244-L247 PolarHBondContact O-N 2.96Å; L247-T250 PolarHBondContact O-N 3.11Å; L247-Y251 HydrophobicContact CB-CD2 4.38Å; L247-Y251 HydrophobicContact CD2-CD2 4.14Å; L247-Y251 HydrophobicContact CD2-CE2 3.72Å; L247-Y251 WeakPolarHBondContact O-CB 3.46Å; L247-Y251 VanDerWaalsContact O-CD2 3.22Å; L247-Y251 WeakPolarHBondContact O-CD2 3.25Å; L247-Y251 PolarHBondContact O-N 2.97Å; L247-I355 HydrophobicContact CB-CD1 4.28Å; L247-V394 HydrophobicContact CD1-CG1 4.2Å; L247-V394 HydrophobicContact CD2-CG1 4.32Å; L247-M396 HydrophobicContact CD1-CE 3.7Å; L247-M396 HydrophobicContact CD1-CG 4Å; L247-M396 HydrophobicContact CD1-SD 3.62Å
248I95.1Very high93.5Very high12 Ų1254.6 Ų54.66%0.06228%0.283CS..Hα-helixtrans-60.4-52.1177.5-69.9165.4000109.5L244 T250 Y251 S252 V257 I259 I274 I278 I355L244-I248 HydrophobicContact CB-CD1 4.4Å; L244-I248 WeakPolarHBondContact O-CB 3.4Å; L244-I248 VanDerWaalsContact O-CG1 3.25Å; L244-I248 WeakPolarHBondContact O-CG1 3.11Å; L244-I248 PolarHBondContact O-N 3.42Å; I248-T250 PolarHBondContact O-N 3.18Å; I248-Y251 PolarHBondContact O-N 3.32Å; I248-S252 WeakPolarHBondContact O-CB 3.4Å; I248-S252 PolarHBondContact O-N 3.38Å; I248-S252 PolarHBondContact O-OG 3.24Å; I248-V257 HydrophobicContact CG1-CG1 4.27Å; I248-V257 HydrophobicContact CG2-CG2 4.19Å; I248-I259 HydrophobicContact CD1-CD1 4.11Å; I248-I274 HydrophobicContact CD1-CD1 4.3Å; I248-I278 HydrophobicContact CB-CD1 4.28Å; I248-I278 HydrophobicContact CD1-CD1 3.48Å; I248-I278 VanDerWaalsContact CD1-CD1 3.48Å; I248-I278 HydrophobicContact CG1-CD1 4.47Å; I248-I278 HydrophobicContact CG2-CD1 4.29Å; I248-I355 HydrophobicContact CG1-CD1 4Å
249S92.8Very high93.8Very high97 Ų9752 Ų5268%0.67827%0.267SS*.Hα-helixtrans-60.7-30.6178.6-177.90000113.7P245 H246P245-S249 WeakPolarHBondContact O-CB 3.49Å; P245-S249 PolarHBondContact O-N 2.9Å; H246-S249 PolarHBondContact O-N 2.86Å
250T94.6Very high93.9Very high65 Ų6548.7 Ų48.740%0.39925%0.25SC..Hα-helixtrans-81-37.2-177.4-57.30000112.3H246 L247 I248H246-T250 PolarHBondContact CE1-OG1 3.03Å; H246-T250 VanDerWaalsContact O-CB 3.3Å; H246-T250 WeakPolarHBondContact O-CB 3.21Å; H246-T250 PolarHBondContact O-N 3.47Å; H246-T250 PolarHBondContact O-OG1 3.19Å; L247-T250 PolarHBondContact O-N 3.11Å; I248-T250 PolarHBondContact O-N 3.18Å
251Y95.1Very high93.9Very high33 Ų3348.6 Ų48.613%0.12925%0.249CC..Hα-helixtrans-116.8-15.1-165.7-62.8-68.8000114.7R219 V221 H223 L247 I248 V392 V394R219-Y251 VanDerWaalsContact NH2-CD1 3.34Å; V221-Y251 HydrophobicContact CG2-CE1 4.28Å; H223-Y251 AromaticContact NE2-CE2 3.82Å; H223-Y251 AromaticContact NE2-CZ 3.89Å; H223-Y251 PolarHBondContact NE2-OH 2.99Å; L247-Y251 HydrophobicContact CB-CD2 4.38Å; L247-Y251 HydrophobicContact CD2-CD2 4.14Å; L247-Y251 HydrophobicContact CD2-CE2 3.72Å; L247-Y251 WeakPolarHBondContact O-CB 3.46Å; L247-Y251 VanDerWaalsContact O-CD2 3.22Å; L247-Y251 WeakPolarHBondContact O-CD2 3.25Å; L247-Y251 PolarHBondContact O-N 2.97Å; I248-Y251 PolarHBondContact O-N 3.32Å; Y251-V392 HydrophobicContact CD1-CG1 3.92Å; Y251-V392 HydrophobicContact CG-CG1 4.26Å; Y251-V394 HydrophobicContact CD1-CG2 4.44Å; Y251-V394 HydrophobicContact CD2-CG2 3.71Å; Y251-V394 HydrophobicContact CE2-CG2 4.12Å; Y251-V394 HydrophobicContact CG-CG2 3.92Å
252S91.6Very high93.6Very high5 Ų549.5 Ų49.54%0.03526%0.255CS..SBendtrans-80.9-24.4-173.6750000113.7I248 N254 K255 H352I248-S252 WeakPolarHBondContact O-CB 3.4Å; I248-S252 PolarHBondContact O-N 3.38Å; I248-S252 PolarHBondContact O-OG 3.24Å; S252-N254 PolarHBondContact O-N 2.91Å; S252-N254 VanDerWaalsContact O-N 3.14Å; S252-N254 PolarHBondContact OG-N 3.11Å; S252-K255 VanDerWaalsContact O-CB 3.27Å; S252-K255 WeakPolarHBondContact O-CB 3.39Å; S252-K255 PolarHBondContact O-N 3.38Å; S252-H352 PolarHBondContact O-CD2 3.47Å
253S88.3Confident93.3Very high80 Ų8044 Ų4456%0.55924%0.236SC*.THydrogen-bonded Turntrans51.333.4-171.7-54.80000113.1K255S253-K255 PolarHBondContact O-N 2.98Å
254N86.3Confident92.9Very high150 Ų15041 Ų4180%0.80223%0.225SC*.THydrogen-bonded Turntrans58.521.3-172.4-64.1-30.4000115.2S252S252-N254 PolarHBondContact O-N 2.91Å; S252-N254 VanDerWaalsContact O-N 3.14Å; S252-N254 PolarHBondContact OG-N 3.11Å
255K90.8Very high92.6Very high82 Ų8243.6 Ų43.636%0.35724%0.244SC..SBendtrans-99.3167.3174.7-63.8179.2170.4-171.70111.5S252 S253 H352 D388S252-K255 VanDerWaalsContact O-CB 3.27Å; S252-K255 WeakPolarHBondContact O-CB 3.39Å; S252-K255 PolarHBondContact O-N 3.38Å; S253-K255 PolarHBondContact O-N 2.98Å; K255-H352 HydrophobicContact CB-CB 3.45Å; K255-H352 VanDerWaalsContact CB-CB 3.45Å; K255-H352 HydrophobicContact CD-CB 3.89Å; K255-H352 HydrophobicContact CG-CB 4.36Å; K255-D388 WeakPolarHBondContact CD-OD1 3.3Å; K255-D388 WeakPolarHBondContact CE-OD1 3.4Å; K255-D388 IonicContact NZ-OD1 3.88Å; K255-D388 PolarHBondContact NZ-OD1 2.86Å
256P93.6Very high92.4Very high31 Ų3142.2 Ų42.220%0.20124%0.235CC..  trans-61.5140.8-173.7-20.731.5000113.4F329 S335 P350 H352 L353P256-F329 HydrophobicContact CB-CE2 3.95Å; P256-F329 HydrophobicContact CB-CZ 3.79Å; P256-S335 CarbonylContact C-O 3.46Å; P256-S335 WeakPolarHBondContact CA-O 3.44Å; P256-P350 VanDerWaalsContact CB-O 3.23Å; P256-P350 WeakPolarHBondContact CB-O 3.38Å; P256-P350 WeakPolarHBondContact CG-O 3.33Å; P256-H352 PolarHBondContact O-N 2.92Å; P256-L353 PolarHBondContact O-N 2.97Å
257V95.8Very high92.4Very high2 Ų235.9 Ų35.91%0.01221%0.206CC..EExtended strand (participates in β ladder)trans-117.3130.6-176.3-174.70000110.5I248 I259 S335 V336 L337 L353 I355I248-V257 HydrophobicContact CG1-CG1 4.27Å; I248-V257 HydrophobicContact CG2-CG2 4.19Å; V257-I259 HydrophobicContact CG1-CD1 4.27Å; V257-I259 HydrophobicContact CG1-CG1 3.83Å; V257-S335 PolarHBondContact N-O 3.02Å; V257-V336 HydrophobicContact CB-CG1 4.31Å; V257-V336 HydrophobicContact CB-CG2 4.26Å; V257-V336 HydrophobicContact CG2-CG2 4.44Å; V257-V336 WeakPolarHBondContact O-CA 3.24Å; V257-L337 PolarHBondContact O-N 3.26Å; V257-L353 WeakPolarHBondContact CA-O 3.41Å; V257-L353 HydrophobicContact CG1-CB 4.29Å; V257-L353 HydrophobicContact CG1-CD2 3.93Å; V257-L353 HydrophobicContact CG1-CG 4.04Å; V257-L353 HydrophobicContact CG2-CB 4.21Å; V257-L353 HydrophobicContact CG2-CD2 4.09Å; V257-I355 HydrophobicContact CG1-CD1 4.24Å; V257-I355 HydrophobicContact CG1-CG1 4.41Å
258L96.5Very high92.3Very high0 Ų037.6 Ų37.60%022%0.216CC..EExtended strand (participates in β ladder)trans-112.4125.2172.2-174.766000110.1F260 L337 C339 L343 L349 A351 L353 V354 I355 R381L258-F260 HydrophobicContact CD2-CE2 3.81Å; L258-F260 HydrophobicContact CD2-CZ 3.71Å; L258-F260 HydrophobicContact CG-CE2 4.23Å; L258-F260 HydrophobicContact CG-CZ 4.35Å; L258-L337 CarbonylContact C-O 3.52Å; L258-L337 WeakPolarHBondContact CA-O 3.48Å; L258-L337 HydrophobicContact CD1-CB 4.05Å; L258-L337 HydrophobicContact CD1-CD2 3.91Å; L258-L337 HydrophobicContact CD1-CG 3.93Å; L258-C339 VanDerWaalsContact CD1-SG 3.57Å; L258-L343 HydrophobicContact CD1-CD1 4.16Å; L258-L349 HydrophobicContact CD2-CD1 4.38Å; L258-A351 HydrophobicContact CB-CB 3.84Å; L258-L353 PolarHBondContact N-O 3.25Å; L258-V354 HydrophobicContact CB-CG2 4.32Å; L258-V354 CarbonylContact O-C 3.5Å; L258-V354 VanDerWaalsContact O-CA 3.31Å; L258-V354 WeakPolarHBondContact O-CA 3.36Å; L258-I355 PolarHBondContact O-N 2.97Å; L258-R381 HydrophobicContact CD2-CB 4.08Å; L258-R381 HydrophobicContact CD2-CG 4.33Å
259I97.4Very high92.3Very high0 Ų043.2 Ų43.20%024%0.237CC..EExtended strand (participates in β ladder)trans-118.9110.6-176.8-51.4179.4000110L244 I248 V257 T270 I274 V336 L337 T338 C339 I355 K357L244-I259 HydrophobicContact CD2-CD1 4.49Å; I248-I259 HydrophobicContact CD1-CD1 4.11Å; V257-I259 HydrophobicContact CG1-CD1 4.27Å; V257-I259 HydrophobicContact CG1-CG1 3.83Å; I259-T270 HydrophobicContact CG2-CG2 4.45Å; I259-I274 HydrophobicContact CD1-CD1 3.43Å; I259-I274 VanDerWaalsContact CD1-CD1 3.43Å; I259-V336 HydrophobicContact CD1-CG1 3.86Å; I259-V336 HydrophobicContact CG1-CG1 4.43Å; I259-L337 PolarHBondContact N-O 2.97Å; I259-T338 HydrophobicContact CB-CG2 4.32Å; I259-T338 HydrophobicContact CD1-CG2 4.4Å; I259-T338 CarbonylContact O-C 3.55Å; I259-T338 WeakPolarHBondContact O-CA 3.47Å; I259-C339 PolarHBondContact O-N 3.35Å; I259-I355 CarbonylContact C-O 3.6Å; I259-I355 WeakPolarHBondContact CA-O 3.32Å; I259-I355 HydrophobicContact CB-CB 4.5Å; I259-I355 HydrophobicContact CD1-CD1 4.38Å; I259-I355 HydrophobicContact CG1-CB 4.2Å; I259-I355 HydrophobicContact CG1-CD1 4.3Å; I259-I355 HydrophobicContact CG1-CG1 4.47Å; I259-I355 HydrophobicContact CG2-CB 4.21Å; I259-I355 HydrophobicContact CG2-CG2 4.41Å; I259-K357 HydrophobicContact CG2-CB 4.13Å
260F95.8Very high92.5Very high1 Ų138.6 Ų38.60%0.00420%0.204CC..EExtended strand (participates in β ladder)trans-79.9123.4173.2-70.4-75.8000110.6L258 C339 T340 L343 A344 V354 I355 V356 K357 M378 R381L258-F260 HydrophobicContact CD2-CE2 3.81Å; L258-F260 HydrophobicContact CD2-CZ 3.71Å; L258-F260 HydrophobicContact CG-CE2 4.23Å; L258-F260 HydrophobicContact CG-CZ 4.35Å; F260-C339 CarbonylContact C-O 3.47Å; F260-C339 WeakPolarHBondContact CA-O 3.41Å; F260-C339 VanDerWaalsContact CD1-SG 3.54Å; F260-C339 VanDerWaalsContact CE1-SG 3.58Å; F260-T340 WeakPolarHBondContact CD1-O 3.47Å; F260-L343 HydrophobicContact CE1-CB 4.48Å; F260-A344 HydrophobicContact CE1-CB 3.86Å; F260-A344 HydrophobicContact CZ-CB 4.14Å; F260-V354 HydrophobicContact CD2-CG1 3.73Å; F260-V354 HydrophobicContact CE2-CG1 3.7Å; F260-I355 PolarHBondContact N-O 3.42Å; F260-V356 HydrophobicContact CD2-CG2 4.39Å; F260-K357 WeakPolarHBondContact O-CA 3.49Å; F260-K357 WeakPolarHBondContact O-CB 2.97Å; F260-K357 PolarHBondContact O-N 2.98Å; F260-M378 HydrophobicContact CB-SD 4.1Å; F260-M378 HydrophobicContact CD1-CG 4.23Å; F260-M378 HydrophobicContact CD1-SD 4.25Å; F260-M378 HydrophobicContact CD2-CB 3.85Å; F260-M378 HydrophobicContact CD2-CG 4.01Å; F260-M378 HydrophobicContact CD2-SD 4.21Å; F260-M378 HydrophobicContact CE1-CG 4.23Å; F260-M378 HydrophobicContact CE2-CB 3.71Å; F260-M378 HydrophobicContact CE2-CG 4.01Å; F260-M378 HydrophobicContact CG-CB 4.45Å; F260-M378 HydrophobicContact CG-CG 4.12Å; F260-M378 HydrophobicContact CG-SD 3.92Å; F260-M378 HydrophobicContact CZ-CB 4.22Å; F260-M378 HydrophobicContact CZ-CG 4.13Å; F260-R381 HydrophobicContact CZ-CG 4.32Å
261C94.1Very high92.5Very high1 Ų135.5 Ų35.51%0.00719%0.185CC..  trans-115.7154.6177.4-56.20000109.9T263 A267 C339 T340C261-T263 PolarHBondContact O-N 3.34Å; C261-A267 HydrophobicContact CB-CB 4.14Å; C261-C339 PolarHBondContact N-O 3.24Å; C261-T340 WeakPolarHBondContact O-CA 3.35Å
262T89.5Confident92.6Very high25 Ų2536.1 Ų36.115%0.15319%0.193CC..SBendtrans-72.5-32-173.275.70000113.5E237 N358 E360E237-T262 HydrophobicContact CG-CG2 4.37Å; E237-T262 WeakPolarHBondContact OE2-CG2 2.94Å; E237-T262 PolarHBondContact OE2-OG1 3.07Å; T262-N358 HydrophobicContact CG2-CB 3.82Å; T262-E360 WeakPolarHBondContact CG2-O 3.38Å
263T87Confident92.7Very high30 Ų3037.8 Ų37.818%0.18420%0.199CC..SBendtrans-133157.2-172.958.10000111.9F234 C261 S265 G266 A267 T340F234-T263 HydrophobicContact CD1-CG2 4.48Å; F234-T263 HydrophobicContact CE1-CG2 3.9Å; C261-T263 PolarHBondContact O-N 3.34Å; T263-S265 VanDerWaalsContact C-N 3.31Å; T263-S265 PolarHBondContact O-N 3.4Å; T263-S265 PolarHBondContact OG1-OG 3.27Å; T263-G266 WeakPolarHBondContact O-CA 3.45Å; T263-G266 PolarHBondContact O-N 2.9Å; T263-G266 VanDerWaalsContact O-N 3.07Å; T263-G266 PolarHBondContact OG1-N 3.46Å; T263-A267 PolarHBondContact O-N 3.26Å; T263-T340 VanDerWaalsContact C-CG2 3.47Å
264R87Confident93.1Very high75 Ų7534 Ų3428%0.28317%0.172SC..Hα-helixtrans-56.7-45.6176.4-54.1-177.2-178.2-175.6-5.3111.5G266 A267 V268 H314 T340 N1329R264-G266 VanDerWaalsContact C-N 3.35Å; R264-A267 PolarHBondContact O-N 3.42Å; R264-V268 WeakPolarHBondContact O-CG2 3.44Å; R264-V268 PolarHBondContact O-N 2.92Å; R264-H314 HydrophobicContact CB-CB 4.18Å; R264-H314 HydrophobicContact CG-CB 4.01Å; R264-T340 HydrophobicContact CG-CG2 4.36Å; R264-N1329 PolarHBondContact NH2-ND2 3.13Å
265S88.4Confident93.4Very high56 Ų5628.9 Ų28.939%0.39214%0.144SC..Hα-helixtrans-68.4-34.2176.2600000112.2T263 R269T263-S265 VanDerWaalsContact C-N 3.31Å; T263-S265 PolarHBondContact O-N 3.4Å; T263-S265 PolarHBondContact OG1-OG 3.27Å; S265-R269 WeakPolarHBondContact O-CB 3.44Å; S265-R269 VanDerWaalsContact O-CG 3.23Å; S265-R269 WeakPolarHBondContact O-CG 3.06Å; S265-R269 PolarHBondContact O-N 2.99Å
266G91.4Very high93.4Very high4 Ų432.2 Ų32.24%0.04116%0.159CC..Hα-helixtrans-57.4-49.6170.600000112.1T263 R264 V268 R269 T270T263-G266 WeakPolarHBondContact O-CA 3.45Å; T263-G266 PolarHBondContact O-N 2.9Å; T263-G266 VanDerWaalsContact O-N 3.07Å; T263-G266 PolarHBondContact OG1-N 3.46Å; R264-G266 VanDerWaalsContact C-N 3.35Å; G266-V268 PolarHBondContact O-N 2.62Å; G266-R269 PolarHBondContact O-N 3Å; G266-T270 WeakPolarHBondContact O-CB 3.4Å; G266-T270 PolarHBondContact O-N 3.21Å; G266-T270 PolarHBondContact O-OG1 3.33Å; G266-T270 VanDerWaalsContact O-OG1 3.11Å
267A93.9Very high93.3Very high0 Ų035.6 Ų35.60%017%0.172CC..Hα-helixtrans-58.6-47.9178.300000112.4C261 T263 R264 T270 A271 T338C261-A267 HydrophobicContact CB-CB 4.14Å; T263-A267 PolarHBondContact O-N 3.26Å; R264-A267 PolarHBondContact O-N 3.42Å; A267-T270 PolarHBondContact O-N 3.09Å; A267-A271 PolarHBondContact O-N 2.84Å; A267-T338 PolarHBondContact O-OG1 3.15Å
268V94.3Very high92.8Very high40 Ų4036.8 Ų36.824%0.24218%0.178CC..Hα-helixtrans-63.9-44.9177.9178.40000111.5R264 G266 T270 A271 T272 Y312R264-V268 WeakPolarHBondContact O-CG2 3.44Å; R264-V268 PolarHBondContact O-N 2.92Å; G266-V268 PolarHBondContact O-N 2.62Å; V268-T270 VanDerWaalsContact C-N 3.33Å; V268-T270 PolarHBondContact O-N 3.15Å; V268-A271 PolarHBondContact O-N 2.83Å; V268-T272 WeakPolarHBondContact O-CB 3.5Å; V268-T272 PolarHBondContact O-N 3.31Å; V268-T272 PolarHBondContact O-OG1 2.86Å; V268-Y312 HydrophobicContact CG1-CD1 4.45Å; V268-Y312 HydrophobicContact CG1-CE1 4.31Å; V268-Y312 HydrophobicContact CG2-CD1 4.27Å; V268-Y312 HydrophobicContact CG2-CD2 3.73Å; V268-Y312 HydrophobicContact CG2-CE1 4.42Å; V268-Y312 HydrophobicContact CG2-CE2 3.9Å; V268-Y312 HydrophobicContact CG2-CG 3.92Å
269R94.3Very high92Very high130 Ų13045.1 Ų45.149%0.49122%0.217SC..Hα-helixtrans-63.4-39.5177.3-74.9176.4-166.8151.92.2112S265 G266 T272 Y273S265-R269 WeakPolarHBondContact O-CB 3.44Å; S265-R269 VanDerWaalsContact O-CG 3.23Å; S265-R269 WeakPolarHBondContact O-CG 3.06Å; S265-R269 PolarHBondContact O-N 2.99Å; G266-R269 PolarHBondContact O-N 3Å; R269-T272 PolarHBondContact O-N 2.94Å; R269-Y273 WeakPolarHBondContact O-CB 3.21Å; R269-Y273 PolarHBondContact O-N 2.88Å
270T96.4Very high91Very high0 Ų047.2 Ų47.20%023%0.228CC..Hα-helixtrans-66.9-42.6176.9-68.20000111.3N241 L244 I259 G266 A267 V268 T272 Y273 I274 T338 K357N241-T270 PolarHBondContact OD1-OG1 3.37Å; L244-T270 HydrophobicContact CD1-CG2 3.34Å; I259-T270 HydrophobicContact CG2-CG2 4.45Å; G266-T270 WeakPolarHBondContact O-CB 3.4Å; G266-T270 PolarHBondContact O-N 3.21Å; G266-T270 PolarHBondContact O-OG1 3.33Å; G266-T270 VanDerWaalsContact O-OG1 3.11Å; A267-T270 PolarHBondContact O-N 3.09Å; V268-T270 VanDerWaalsContact C-N 3.33Å; V268-T270 PolarHBondContact O-N 3.15Å; T270-T272 VanDerWaalsContact C-N 3.33Å; T270-T272 PolarHBondContact O-N 3.5Å; T270-Y273 PolarHBondContact O-N 2.93Å; T270-I274 HydrophobicContact CG2-CD1 3.86Å; T270-I274 HydrophobicContact CG2-CG1 4.5Å; T270-I274 VanDerWaalsContact O-CG1 3.29Å; T270-I274 WeakPolarHBondContact O-CG1 3.15Å; T270-I274 PolarHBondContact O-N 2.95Å; T270-T338 HydrophobicContact CG2-CG2 3.81Å; T270-K357 HydrophobicContact CG2-CD 4.34Å; T270-K357 WeakPolarHBondContact OG1-CE 3.49Å; T270-K357 PolarHBondContact OG1-NZ 2.8Å
271A96Very high89.8Confident0 Ų053.2 Ų53.20%027%0.265CS..Hα-helixtrans-60.3-44.5172.800000111.4A267 V268 Y273 I274 L275 F305 I310 Y312 T338A267-A271 PolarHBondContact O-N 2.84Å; V268-A271 PolarHBondContact O-N 2.83Å; A271-Y273 VanDerWaalsContact C-N 3.3Å; A271-Y273 PolarHBondContact O-N 2.86Å; A271-I274 PolarHBondContact O-N 3.21Å; A271-L275 WeakPolarHBondContact O-CB 3.48Å; A271-L275 PolarHBondContact O-N 3.33Å; A271-F305 HydrophobicContact CB-CD1 4.11Å; A271-F305 HydrophobicContact CB-CE1 3.89Å; A271-I310 HydrophobicContact CB-CG2 4.16Å; A271-Y312 HydrophobicContact CB-CD1 4.11Å; A271-T338 HydrophobicContact CB-CG2 4.04Å; A271-T338 WeakPolarHBondContact CB-OG1 3.5Å
272T95.4Very high88.3Confident47 Ų4758.2 Ų58.229%0.28829%0.291SS..Hα-helixtrans-59.6-41.2176.7-53.50000111.8V268 R269 T270 K276 F305V268-T272 WeakPolarHBondContact O-CB 3.5Å; V268-T272 PolarHBondContact O-N 3.31Å; V268-T272 PolarHBondContact O-OG1 2.86Å; R269-T272 PolarHBondContact O-N 2.94Å; T270-T272 VanDerWaalsContact C-N 3.33Å; T270-T272 PolarHBondContact O-N 3.5Å; T272-K276 WeakPolarHBondContact O-CG 3.34Å; T272-K276 PolarHBondContact O-N 2.89Å; T272-F305 WeakPolarHBondContact OG1-CZ 3.13Å
273Y95.6Very high87.5Confident39 Ų3961.4 Ų61.415%0.15331%0.307CS..Hα-helixtrans-66.1-46.5177.2-174.4-89.9000111.3N241 Y242 P245 R269 T270 A271 L275 K276 H277N241-Y273 VanDerWaalsContact C-CE1 3.49Å; N241-Y273 HydrophobicContact CB-CD1 3.72Å; N241-Y273 HydrophobicContact CB-CD2 4.05Å; N241-Y273 HydrophobicContact CB-CE1 4.04Å; N241-Y273 HydrophobicContact CB-CE2 4.35Å; N241-Y273 HydrophobicContact CB-CG 3.74Å; N241-Y273 WeakPolarHBondContact O-CE1 3.38Å; Y242-Y273 WeakPolarHBondContact CA-OH 3.27Å; Y242-Y273 HydrophobicContact CD1-CE2 4.11Å; Y242-Y273 AromaticContact CD1-CZ 3.9Å; Y242-Y273 WeakPolarHBondContact CD1-OH 3.49Å; Y242-Y273 HydrophobicContact CE1-CE2 4.06Å; P245-Y273 HydrophobicContact CG-CE1 4.2Å; R269-Y273 WeakPolarHBondContact O-CB 3.21Å; R269-Y273 PolarHBondContact O-N 2.88Å; T270-Y273 PolarHBondContact O-N 2.93Å; A271-Y273 VanDerWaalsContact C-N 3.3Å; A271-Y273 PolarHBondContact O-N 2.86Å; Y273-L275 PolarHBondContact O-N 3.01Å; Y273-K276 PolarHBondContact O-N 3.32Å; Y273-H277 AromaticContact CD1-CD2 3.84Å; Y273-H277 AromaticContact CD2-CD2 3.72Å; Y273-H277 AromaticContact CD2-NE2 3.93Å; Y273-H277 HydrophobicContact CE1-CB 4.44Å; Y273-H277 AromaticContact CE1-CD2 3.52Å; Y273-H277 AromaticContact CE2-CD2 3.38Å; Y273-H277 WeakPolarHBondContact CE2-CD2 3.25Å; Y273-H277 AromaticContact CE2-NE2 3.35Å; Y273-H277 WeakPolarHBondContact CE2-NE2 3.45Å; Y273-H277 AromaticContact CG-CD2 3.92Å; Y273-H277 AromaticContact CZ-CD2 3.25Å; Y273-H277 AromaticContact CZ-NE2 3.54Å; Y273-H277 PolarHBondContact O-CD2 3.11Å; Y273-H277 PolarHBondContact O-N 2.79Å
274I95.1Very high87Confident0 Ų064.2 Ų64.20%033%0.328CS..Hα-helixtrans-62-43.8179.6-69.6169000111L244 I248 I259 T270 A271 K276 H277 I278 I310 V336 T338L244-I274 HydrophobicContact CD1-CD1 4.25Å; L244-I274 HydrophobicContact CD1-CG1 4.48Å; I248-I274 HydrophobicContact CD1-CD1 4.3Å; I259-I274 HydrophobicContact CD1-CD1 3.43Å; I259-I274 VanDerWaalsContact CD1-CD1 3.43Å; T270-I274 HydrophobicContact CG2-CD1 3.86Å; T270-I274 HydrophobicContact CG2-CG1 4.5Å; T270-I274 VanDerWaalsContact O-CG1 3.29Å; T270-I274 WeakPolarHBondContact O-CG1 3.15Å; T270-I274 PolarHBondContact O-N 2.95Å; A271-I274 PolarHBondContact O-N 3.21Å; I274-K276 PolarHBondContact O-N 2.61Å; I274-H277 PolarHBondContact O-N 2.85Å; I274-H277 VanDerWaalsContact O-N 3.07Å; I274-I278 HydrophobicContact CG2-CB 4.14Å; I274-I278 HydrophobicContact CG2-CD1 3.84Å; I274-I278 HydrophobicContact CG2-CG1 4.08Å; I274-I278 PolarHBondContact O-N 3.22Å; I274-I310 HydrophobicContact CG2-CD1 3.81Å; I274-I310 HydrophobicContact CG2-CG1 4.3Å; I274-V336 HydrophobicContact CD1-CG1 3.91Å; I274-V336 HydrophobicContact CG2-CB 4.48Å; I274-V336 HydrophobicContact CG2-CG1 4.27Å; I274-T338 HydrophobicContact CD1-CG2 4.03Å
275L93.1Very high86.8Confident43 Ų4365.6 Ų65.623%0.22534%0.338CS..Hα-helixtrans-55.8-33.3177.1-178.465.1000113.1A271 Y273 F305 N308 I310A271-L275 WeakPolarHBondContact O-CB 3.48Å; A271-L275 PolarHBondContact O-N 3.33Å; Y273-L275 PolarHBondContact O-N 3.01Å; L275-F305 HydrophobicContact CB-CD1 4.4Å; L275-F305 HydrophobicContact CB-CE1 4.16Å; L275-F305 HydrophobicContact CD2-CD1 3.84Å; L275-F305 HydrophobicContact CD2-CE1 3.7Å; L275-F305 HydrophobicContact CD2-CZ 4.27Å; L275-N308 HydrophobicContact CD1-CB 3.31Å; L275-I310 VanDerWaalsContact CA-CD1 3.47Å; L275-I310 HydrophobicContact CB-CD1 3.99Å; L275-I310 HydrophobicContact CD1-CD1 3.88Å
276K92Very high86.4Confident152 Ų15263.4 Ų63.466%0.66132%0.323SS*.Hα-helixtrans-83.1-21.2179.8-70179-179.7-173.80114.3T272 Y273 I274T272-K276 WeakPolarHBondContact O-CG 3.34Å; T272-K276 PolarHBondContact O-N 2.89Å; Y273-K276 PolarHBondContact O-N 3.32Å; I274-K276 PolarHBondContact O-N 2.61Å
277H90.1Very high85.9Confident103 Ų10363.9 Ų63.948%0.47733%0.327SS..Hα-helixtrans-121.7-13-167.2-70.7-64.9000114.5P245 Y273 I274P245-H277 HydrophobicContact CG-CB 4.22Å; Y273-H277 AromaticContact CD1-CD2 3.84Å; Y273-H277 AromaticContact CD2-CD2 3.72Å; Y273-H277 AromaticContact CD2-NE2 3.93Å; Y273-H277 HydrophobicContact CE1-CB 4.44Å; Y273-H277 AromaticContact CE1-CD2 3.52Å; Y273-H277 AromaticContact CE2-CD2 3.38Å; Y273-H277 WeakPolarHBondContact CE2-CD2 3.25Å; Y273-H277 AromaticContact CE2-NE2 3.35Å; Y273-H277 WeakPolarHBondContact CE2-NE2 3.45Å; Y273-H277 AromaticContact CG-CD2 3.92Å; Y273-H277 AromaticContact CZ-CD2 3.25Å; Y273-H277 AromaticContact CZ-NE2 3.54Å; Y273-H277 PolarHBondContact O-CD2 3.11Å; Y273-H277 PolarHBondContact O-N 2.79Å; I274-H277 PolarHBondContact O-N 2.85Å; I274-H277 VanDerWaalsContact O-N 3.07Å
278I84.9Confident85.5Confident26 Ų2667.9 Ų67.913%0.13335%0.347CS..  trans-120.4114.3179.2-54.5-168000108.3P245 I248 I274 L280P245-I278 HydrophobicContact CB-CD1 4.19Å; P245-I278 HydrophobicContact CB-CG1 4.16Å; P245-I278 HydrophobicContact CG-CD1 4.37Å; P245-I278 HydrophobicContact CG-CG1 4.27Å; I248-I278 HydrophobicContact CB-CD1 4.28Å; I248-I278 HydrophobicContact CD1-CD1 3.48Å; I248-I278 VanDerWaalsContact CD1-CD1 3.48Å; I248-I278 HydrophobicContact CG1-CD1 4.47Å; I248-I278 HydrophobicContact CG2-CD1 4.29Å; I274-I278 HydrophobicContact CG2-CB 4.14Å; I274-I278 HydrophobicContact CG2-CD1 3.84Å; I274-I278 HydrophobicContact CG2-CG1 4.08Å; I274-I278 PolarHBondContact O-N 3.22Å; I278-L280 HydrophobicContact CG2-CD2 4.02Å; I278-L280 HydrophobicContact CG2-CG 4.43Å
279H79.7Confident85.1Confident176 Ų17670.3 Ų70.382%0.81535%0.352SS*.  trans-89.7110.5168.8-62.8-64.6000108.2
280L77.2Confident84.8Confident44 Ų4464.5 Ų64.523%0.2333%0.33CS..PPolyproline II helixtrans-77.8136.3176.8-64.9170.6000109.3I278 D282 N308 I310 V336I278-L280 HydrophobicContact CG2-CD2 4.02Å; I278-L280 HydrophobicContact CG2-CG 4.43Å; L280-D282 PolarHBondContact O-N 3.35Å; L280-N308 WeakPolarHBondContact CD1-O 3.5Å; L280-I310 HydrophobicContact CD1-CD1 4.3Å; L280-I310 HydrophobicContact CD1-CG1 3.81Å; L280-V336 HydrophobicContact CD2-CG2 4.4Å
281T69.3Low84.3Confident127 Ų12771.1 Ų71.178%0.77936%0.355SS*.PPolyproline II helixtrans-71.5125.6175-13.30000109.4
282D64Low84Confident105 Ų10573.8 Ų73.856%0.56137%0.373SS*.PPolyproline II helixtrans-89.1120.8-175.9-83.6-14.5000112.3L280 R290L280-D282 PolarHBondContact O-N 3.35Å; D282-R290 IonicContact OD1-CZ 2.81Å; D282-R290 IonicContact OD1-NH1 3.11Å; D282-R290 PolarHBondContact OD1-NH1 3.28Å; D282-R290 IonicContact OD1-NH2 2.67Å
283N73.2Confident83.7Confident92 Ų9274.2 Ų74.249%0.49237%0.37SS..PPolyproline II helixtrans-79129.1152.7179.4-6000107.7E285 A286 A287N283-E285 PolarHBondContact O-N 2.94Å; N283-E285 PolarHBondContact OD1-N 2.96Å; N283-A286 HydrophobicContact CB-CB 4.11Å; N283-A286 PolarHBondContact O-N 2.94Å; N283-A287 PolarHBondContact O-N 3.49Å
284S76.1Confident83.4Confident90 Ų9072.5 Ų72.563%0.62936%0.364SS*.Hα-helixtrans-53.5-37.5-178.858.30000112.5A287 I288S284-A287 PolarHBondContact O-N 3.5Å; S284-I288 WeakPolarHBondContact O-CG1 3.42Å; S284-I288 PolarHBondContact O-N 2.87Å
285E81.5Confident83.1Confident103 Ų10379 Ų7948%0.48139%0.394SS..Hα-helixtrans-70.4-40.3178.5-168.6-171.7163.800112.5N283 A287 I288 R289N283-E285 PolarHBondContact O-N 2.94Å; N283-E285 PolarHBondContact OD1-N 2.96Å; E285-A287 VanDerWaalsContact C-N 3.33Å; E285-I288 PolarHBondContact O-N 3.23Å; E285-R289 PolarHBondContact O-N 3.05Å; E285-R289 IonicContact OE1-CZ 2.62Å; E285-R289 IonicContact OE1-NH2 3.82Å; E285-R289 PolarHBondContact OE1-NH2 3.47Å
286A80.3Confident82.9Confident11 Ų1182.7 Ų82.79%0.09141%0.414CS..Hα-helixtrans-65.4-39.8175.900000110.7N283 I288 R289 R290N283-A286 HydrophobicContact CB-CB 4.11Å; N283-A286 PolarHBondContact O-N 2.94Å; A286-I288 PolarHBondContact O-N 3.37Å; A286-R289 PolarHBondContact O-N 3.13Å; A286-R290 WeakPolarHBondContact O-CB 3.49Å; A286-R290 VanDerWaalsContact O-CG 3.25Å; A286-R290 WeakPolarHBondContact O-CG 3.45Å; A286-R290 PolarHBondContact O-N 2.97Å
287A82Confident82.7Confident13 Ų1376.2 Ų76.211%0.10739%0.387CS..Hα-helixtrans-63.5-37.2177.800000113N283 S284 E285 R291N283-A287 PolarHBondContact O-N 3.49Å; S284-A287 PolarHBondContact O-N 3.5Å; E285-A287 VanDerWaalsContact C-N 3.33Å; A287-R291 PolarHBondContact O-N 3.01Å
288I84.5Confident82.3Confident85 Ų8578.4 Ų78.444%0.43639%0.391SS..Hα-helixtrans-64.9-49.8174.7-67.5164.9000110.3S284 E285 A286 R290 R291 C292S284-I288 WeakPolarHBondContact O-CG1 3.42Å; S284-I288 PolarHBondContact O-N 2.87Å; E285-I288 PolarHBondContact O-N 3.23Å; A286-I288 PolarHBondContact O-N 3.37Å; I288-R290 VanDerWaalsContact C-N 3.35Å; I288-R290 PolarHBondContact O-N 2.85Å; I288-R291 WeakPolarHBondContact O-CB 3.3Å; I288-R291 PolarHBondContact O-N 3.4Å; I288-R291 VanDerWaalsContact O-N 3.13Å; I288-C292 PolarHBondContact O-N 2.83Å; I288-C292 PolarHBondContact O-SG 3.46Å
289R85.4Confident82.3Confident90 Ų9079.5 Ų79.534%0.3440%0.397SS..Hα-helixtrans-61.8-40.9179.7-72.5-173.5-82.3174.9-8.8112.5E285 A286 R291 C292 Y293 S331 C333E285-R289 PolarHBondContact O-N 3.05Å; E285-R289 IonicContact OE1-CZ 2.62Å; E285-R289 IonicContact OE1-NH2 3.82Å; E285-R289 PolarHBondContact OE1-NH2 3.47Å; A286-R289 PolarHBondContact O-N 3.13Å; R289-R291 VanDerWaalsContact C-N 3.3Å; R289-R291 PolarHBondContact O-N 3.48Å; R289-C292 WeakPolarHBondContact O-CB 3.46Å; R289-C292 PolarHBondContact O-N 3.41Å; R289-C292 VanDerWaalsContact O-N 3.14Å; R289-Y293 WeakPolarHBondContact O-CD2 3.48Å; R289-Y293 PolarHBondContact O-N 3.04Å; R289-Y293 VanDerWaalsContact O-N 3.08Å; R289-S331 PolarHBondContact NH1-O 3.1Å; R289-C333 WeakPolarHBondContact CB-SG 3.42Å
290R88.2Confident82.6Confident8 Ų877.7 Ų77.73%0.0339%0.392CS..Hα-helixtrans-56.1-42.8173.4-76.1175.3-160.5161.68.7112.2D282 A286 I288 C292 Y293 A294 L306 C333D282-R290 IonicContact OD1-CZ 2.81Å; D282-R290 IonicContact OD1-NH1 3.11Å; D282-R290 PolarHBondContact OD1-NH1 3.28Å; D282-R290 IonicContact OD1-NH2 2.67Å; A286-R290 WeakPolarHBondContact O-CB 3.49Å; A286-R290 VanDerWaalsContact O-CG 3.25Å; A286-R290 WeakPolarHBondContact O-CG 3.45Å; A286-R290 PolarHBondContact O-N 2.97Å; I288-R290 VanDerWaalsContact C-N 3.35Å; I288-R290 PolarHBondContact O-N 2.85Å; R290-C292 VanDerWaalsContact C-N 3.34Å; R290-C292 PolarHBondContact O-N 3.27Å; R290-Y293 PolarHBondContact O-N 3.08Å; R290-A294 VanDerWaalsContact O-CB 3.26Å; R290-A294 WeakPolarHBondContact O-CB 3.09Å; R290-A294 PolarHBondContact O-N 3.43Å; R290-L306 WeakPolarHBondContact CB-O 3.36Å; R290-C333 HydrophobicContact CG-CB 4.02Å; R290-C333 WeakPolarHBondContact CG-O 3.37Å; R290-C333 PolarHBondContact NE-O 2.99Å
291R86.6Confident83Confident139 Ų13981.9 Ų81.953%0.52541%0.41SS..Hα-helixtrans-63.2-38.3176.9-78.1-177.1-109.8133.8-6.1112.3A287 I288 R289 A294 Q295A287-R291 PolarHBondContact O-N 3.01Å; I288-R291 WeakPolarHBondContact O-CB 3.3Å; I288-R291 PolarHBondContact O-N 3.4Å; I288-R291 VanDerWaalsContact O-N 3.13Å; R289-R291 VanDerWaalsContact C-N 3.3Å; R289-R291 PolarHBondContact O-N 3.48Å; R291-A294 PolarHBondContact O-N 3.22Å; R291-Q295 VanDerWaalsContact O-CG 3.32Å; R291-Q295 WeakPolarHBondContact O-CG 3.5Å; R291-Q295 PolarHBondContact O-N 3.39Å
292C89.3Confident84Confident57 Ų5775.9 Ų75.939%0.38537%0.373SS..Hα-helixtrans-62.7-49174.6-62.20000111.6I288 R289 R290 A294 Q295 N296I288-C292 PolarHBondContact O-N 2.83Å; I288-C292 PolarHBondContact O-SG 3.46Å; R289-C292 WeakPolarHBondContact O-CB 3.46Å; R289-C292 PolarHBondContact O-N 3.41Å; R289-C292 VanDerWaalsContact O-N 3.14Å; R290-C292 VanDerWaalsContact C-N 3.34Å; R290-C292 PolarHBondContact O-N 3.27Å; C292-A294 VanDerWaalsContact C-N 3.32Å; C292-A294 PolarHBondContact O-N 3.17Å; C292-Q295 PolarHBondContact O-N 3.21Å; C292-N296 PolarHBondContact O-N 2.94Å
293Y89.3Confident85.3Confident56 Ų5675.3 Ų75.322%0.2237%0.366CS..Hα-helixtrans-59.3-42.8174.9-74.3-64.5000112R289 R290 Q295 N296 T297 L324 D327 A328 C333R289-Y293 WeakPolarHBondContact O-CD2 3.48Å; R289-Y293 PolarHBondContact O-N 3.04Å; R289-Y293 VanDerWaalsContact O-N 3.08Å; R290-Y293 PolarHBondContact O-N 3.08Å; Y293-Q295 VanDerWaalsContact C-N 3.25Å; Y293-Q295 PolarHBondContact O-N 3.21Å; Y293-N296 PolarHBondContact O-N 2.88Å; Y293-T297 PolarHBondContact O-N 3.41Å; Y293-L324 HydrophobicContact CD1-CD2 3.9Å; Y293-L324 HydrophobicContact CD1-CG 3.95Å; Y293-L324 HydrophobicContact CG-CD2 4.32Å; Y293-D327 HydrophobicContact CE1-CB 4.23Å; Y293-A328 HydrophobicContact CD1-CB 3.94Å; Y293-A328 HydrophobicContact CD2-CB 3.68Å; Y293-A328 HydrophobicContact CE1-CB 4.05Å; Y293-A328 HydrophobicContact CE2-CB 3.82Å; Y293-A328 HydrophobicContact CG-CB 3.75Å; Y293-C333 HydrophobicContact CD2-CB 4.36Å; Y293-C333 HydrophobicContact CE2-CB 4.3Å
294A89.9Confident86.1Confident2 Ų275.5 Ų75.52%0.01737%0.367CS..Hα-helixtrans-65.1-23.9178.800000113.8R290 R291 C292 T297 K303 L306 S307R290-A294 VanDerWaalsContact O-CB 3.26Å; R290-A294 WeakPolarHBondContact O-CB 3.09Å; R290-A294 PolarHBondContact O-N 3.43Å; R291-A294 PolarHBondContact O-N 3.22Å; C292-A294 VanDerWaalsContact C-N 3.32Å; C292-A294 PolarHBondContact O-N 3.17Å; A294-T297 WeakPolarHBondContact O-CG2 3.37Å; A294-K303 HydrophobicContact CB-CG 4.09Å; A294-K303 WeakPolarHBondContact O-CD 3.24Å; A294-K303 VanDerWaalsContact O-CG 3.22Å; A294-K303 WeakPolarHBondContact O-CG 3.44Å; A294-L306 HydrophobicContact CB-CB 3.94Å; A294-S307 WeakPolarHBondContact CB-OG 3.42Å
295Q88.9Confident86.9Confident138 Ų13872 Ų7265%0.64534%0.341SS*.Hα-helixtrans-79.4-25.6175.6-74.8171.2-6.900113.1R291 C292 Y293R291-Q295 VanDerWaalsContact O-CG 3.32Å; R291-Q295 WeakPolarHBondContact O-CG 3.5Å; R291-Q295 PolarHBondContact O-N 3.39Å; C292-Q295 PolarHBondContact O-N 3.21Å; Y293-Q295 VanDerWaalsContact C-N 3.25Å; Y293-Q295 PolarHBondContact O-N 3.21Å
296N88.8Confident87.4Confident119 Ų11967.2 Ų67.264%0.63632%0.318SS*.Hα-helixtrans-91.2-11.9-175.6-68.4-20.4000113.9C292 Y293 L324C292-N296 PolarHBondContact O-N 2.94Å; Y293-N296 PolarHBondContact O-N 2.88Å; N296-L324 HydrophobicContact CB-CD1 3.69Å
297T86.7Confident87.8Confident16 Ų1668.9 Ų68.910%0.09833%0.329CS..  trans-71.7137.4175.4167.40000111.5Y293 A294 N299 K303 L306 D321Y293-T297 PolarHBondContact O-N 3.41Å; A294-T297 WeakPolarHBondContact O-CG2 3.37Å; T297-N299 PolarHBondContact OG1-N 3.2Å; T297-N299 VanDerWaalsContact OG1-N 3.09Å; T297-N299 PolarHBondContact OG1-O 3.27Å; T297-K303 HydrophobicContact CG2-CB 3.84Å; T297-L306 HydrophobicContact CG2-CD1 3.95Å; T297-D321 WeakPolarHBondContact CA-OD1 3.12Å; T297-D321 PolarHBondContact OG1-OD1 3.38Å
298R83.4Confident88.2Confident150 Ų15072.4 Ų72.457%0.56635%0.346SS*.SBendtrans-77.2-27.3173-67.2174.9173.5171.8-5111.7I300 D318 D321R298-I300 PolarHBondContact O-N 3.46Å; R298-D318 IonicContact NH1-OD1 3.57Å; R298-D318 IonicContact NH1-OD2 2.95Å; R298-D318 PolarHBondContact NH1-OD2 3.43Å; R298-D321 PolarHBondContact N-OD1 2.54Å
299N83.3Confident88.5Confident49 Ų4968.4 Ų68.426%0.26233%0.326SS..  trans-83115-178.6-173.4-31.5000111.6T297 H301 L302 K303 D321T297-N299 PolarHBondContact OG1-N 3.2Å; T297-N299 VanDerWaalsContact OG1-N 3.09Å; T297-N299 PolarHBondContact OG1-O 3.27Å; N299-H301 VanDerWaalsContact C-N 3.28Å; N299-H301 PolarHBondContact O-N 3.29Å; N299-H301 WeakPolarHBondContact OD1-CA 3.47Å; N299-H301 WeakPolarHBondContact OD1-CB 3.19Å; N299-H301 PolarHBondContact OD1-N 3.25Å; N299-L302 HydrophobicContact CB-CB 3.83Å; N299-L302 PolarHBondContact O-N 3.24Å; N299-L302 PolarHBondContact OD1-N 3.45Å; N299-K303 PolarHBondContact O-N 2.93Å; N299-D321 WeakPolarHBondContact CB-OD2 3.45Å; N299-D321 PolarHBondContact N-OD2 2.82Å
300I86.6Confident89Confident138 Ų13864.2 Ų64.271%0.70831%0.31SS*.Hα-helixtrans-58.3-39179.1-59.5169.3000111.4R298 K303R298-I300 PolarHBondContact O-N 3.46Å; I300-K303 WeakPolarHBondContact O-CB 3.46Å
301H86.2Confident89.3Confident132 Ų13263.8 Ų63.861%0.61131%0.308SS*.Hα-helixtrans-70.3-42.4179.4-63-65000111.4N299 K303 D304 F305N299-H301 VanDerWaalsContact C-N 3.28Å; N299-H301 PolarHBondContact O-N 3.29Å; N299-H301 WeakPolarHBondContact OD1-CA 3.47Å; N299-H301 WeakPolarHBondContact OD1-CB 3.19Å; N299-H301 PolarHBondContact OD1-N 3.25Å; H301-K303 PolarHBondContact O-N 2.77Å; H301-D304 PolarHBondContact O-N 2.77Å; H301-F305 WeakPolarHBondContact O-CD2 3.12Å
302L90.6Very high89.7Confident0 Ų057.7 Ų57.70%029%0.286CS..Hα-helixtrans-61.5-30.6-179.9-173.563.5000112.3N299 D304 F305 L306 A311 Y312 M317 D321 V325N299-L302 HydrophobicContact CB-CB 3.83Å; N299-L302 PolarHBondContact O-N 3.24Å; N299-L302 PolarHBondContact OD1-N 3.45Å; L302-D304 VanDerWaalsContact C-N 3.32Å; L302-D304 PolarHBondContact O-N 2.87Å; L302-F305 PolarHBondContact O-N 3.39Å; L302-L306 HydrophobicContact CD1-CG 4.44Å; L302-L306 HydrophobicContact CD2-CD1 4.28Å; L302-L306 HydrophobicContact CG-CD1 3.9Å; L302-L306 HydrophobicContact CG-CG 4.15Å; L302-L306 WeakPolarHBondContact O-CG 3.39Å; L302-L306 PolarHBondContact O-N 2.91Å; L302-A311 HydrophobicContact CD1-CB 4.44Å; L302-Y312 HydrophobicContact CD1-CD1 4.39Å; L302-Y312 HydrophobicContact CD1-CE1 4.06Å; L302-Y312 HydrophobicContact CD1-CE2 4.34Å; L302-M317 HydrophobicContact CD1-CE 4.13Å; L302-M317 HydrophobicContact CD2-CE 3.55Å; L302-M317 HydrophobicContact CG-CE 4.47Å; L302-D321 HydrophobicContact CD2-CB 3.98Å; L302-V325 HydrophobicContact CD1-CG2 4.16Å; L302-V325 HydrophobicContact CD2-CG2 3.86Å; L302-V325 HydrophobicContact CG-CG2 4.46Å
303K91.1Very high89.9Confident93 Ų9355 Ų5540%0.40427%0.267SS..Hα-helixtrans-55.4-44.2176-179.4166.3-173.2178.20112.8A294 T297 N299 I300 H301 S307A294-K303 HydrophobicContact CB-CG 4.09Å; A294-K303 WeakPolarHBondContact O-CD 3.24Å; A294-K303 VanDerWaalsContact O-CG 3.22Å; A294-K303 WeakPolarHBondContact O-CG 3.44Å; T297-K303 HydrophobicContact CG2-CB 3.84Å; N299-K303 PolarHBondContact O-N 2.93Å; I300-K303 WeakPolarHBondContact O-CB 3.46Å; H301-K303 PolarHBondContact O-N 2.77Å; K303-S307 WeakPolarHBondContact O-CB 3.34Å; K303-S307 PolarHBondContact O-N 3.26Å; K303-S307 VanDerWaalsContact O-N 3.1Å; K303-S307 PolarHBondContact O-OG 2.62Å
304D89.9Confident90Very high97 Ų9753.4 Ų53.452%0.51926%0.262SS..Hα-helixtrans-67.5-39.5178.8-70.5-13.6000111.3H301 L302 N308H301-D304 PolarHBondContact O-N 2.77Å; L302-D304 VanDerWaalsContact C-N 3.32Å; L302-D304 PolarHBondContact O-N 2.87Å; D304-N308 PolarHBondContact O-N 2.89Å; D304-N308 PolarHBondContact O-ND2 2.69Å
305F92.9Very high89.5Confident17 Ų1753.7 Ų53.78%0.07526%0.264CS..Hα-helixtrans-62.1-54.9175.6-71.7-80000111.2A271 T272 L275 H301 L302 S307 N308 G309 I310 Y312A271-F305 HydrophobicContact CB-CD1 4.11Å; A271-F305 HydrophobicContact CB-CE1 3.89Å; T272-F305 WeakPolarHBondContact OG1-CZ 3.13Å; L275-F305 HydrophobicContact CB-CD1 4.4Å; L275-F305 HydrophobicContact CB-CE1 4.16Å; L275-F305 HydrophobicContact CD2-CD1 3.84Å; L275-F305 HydrophobicContact CD2-CE1 3.7Å; L275-F305 HydrophobicContact CD2-CZ 4.27Å; H301-F305 WeakPolarHBondContact O-CD2 3.12Å; L302-F305 PolarHBondContact O-N 3.39Å; F305-S307 VanDerWaalsContact C-N 3.27Å; F305-S307 PolarHBondContact O-N 2.96Å; F305-N308 CarbonylContact O-C 3.59Å; F305-N308 WeakPolarHBondContact O-CA 3.29Å; F305-N308 PolarHBondContact O-N 3.17Å; F305-G309 PolarHBondContact O-N 3.38Å; F305-I310 CarbonylContact C-O 3.46Å; F305-I310 WeakPolarHBondContact CA-O 3.42Å; F305-I310 VanDerWaalsContact CB-O 3.27Å; F305-I310 WeakPolarHBondContact CB-O 3.29Å; F305-I310 HydrophobicContact CD1-CG2 4.21Å; F305-I310 PolarHBondContact O-N 2.54Å; F305-Y312 HydrophobicContact CD2-CD1 4.15Å; F305-Y312 AromaticContact CD2-CE1 3.58Å; F305-Y312 HydrophobicContact CD2-CE1 3.58Å; F305-Y312 HydrophobicContact CE2-CD1 4.32Å; F305-Y312 AromaticContact CE2-CE1 3.71Å; F305-Y312 HydrophobicContact CE2-CE1 3.71Å; F305-Y312 HydrophobicContact CG-CD1 4.33Å; F305-Y312 HydrophobicContact CG-CE1 4.19Å; F305-Y312 HydrophobicContact CZ-CE1 4.38Å
306L92Very high88.9Confident2 Ų248.8 Ų48.81%0.0125%0.25CS..Hα-helixtrans-56.4-42.1-177.5-76.1169.6000112R290 A294 T297 L302 N308 G309 I310 A311 L324 V325 A328 I334R290-L306 WeakPolarHBondContact CB-O 3.36Å; A294-L306 HydrophobicContact CB-CB 3.94Å; T297-L306 HydrophobicContact CG2-CD1 3.95Å; L302-L306 HydrophobicContact CD1-CG 4.44Å; L302-L306 HydrophobicContact CD2-CD1 4.28Å; L302-L306 HydrophobicContact CG-CD1 3.9Å; L302-L306 HydrophobicContact CG-CG 4.15Å; L302-L306 WeakPolarHBondContact O-CG 3.39Å; L302-L306 PolarHBondContact O-N 2.91Å; L306-N308 PolarHBondContact O-N 3.09Å; L306-G309 PolarHBondContact O-N 3.02Å; L306-I310 PolarHBondContact N-O 2.74Å; L306-A311 HydrophobicContact CD2-CB 4.22Å; L306-L324 HydrophobicContact CD1-CD2 3.67Å; L306-L324 HydrophobicContact CD2-CD2 4.38Å; L306-V325 HydrophobicContact CD2-CG2 4.33Å; L306-A328 HydrophobicContact CD2-CB 4.49Å; L306-I334 HydrophobicContact CD2-CD1 3.8Å; L306-I334 HydrophobicContact CD2-CG1 4.23Å
307S88.6Confident88.7Confident46 Ų4643.5 Ų43.532%0.32222%0.222SC..Hα-helixtrans-59.3-31.3178.3-59.40000112.5A294 K303 F305A294-S307 WeakPolarHBondContact CB-OG 3.42Å; K303-S307 WeakPolarHBondContact O-CB 3.34Å; K303-S307 PolarHBondContact O-N 3.26Å; K303-S307 VanDerWaalsContact O-N 3.1Å; K303-S307 PolarHBondContact O-OG 2.62Å; F305-S307 VanDerWaalsContact C-N 3.27Å; F305-S307 PolarHBondContact O-N 2.96Å
308N89.5Confident88.4Confident87 Ų8744.2 Ų44.247%0.46523%0.225SC..THydrogen-bonded Turntrans-95.89179.7-71.2-79.7000113.5L275 L280 D304 F305 L306 I310L275-N308 HydrophobicContact CD1-CB 3.31Å; L280-N308 WeakPolarHBondContact CD1-O 3.5Å; D304-N308 PolarHBondContact O-N 2.89Å; D304-N308 PolarHBondContact O-ND2 2.69Å; F305-N308 CarbonylContact O-C 3.59Å; F305-N308 WeakPolarHBondContact O-CA 3.29Å; F305-N308 PolarHBondContact O-N 3.17Å; L306-N308 PolarHBondContact O-N 3.09Å; N308-I310 VanDerWaalsContact C-N 3.3Å; N308-I310 PolarHBondContact O-N 2.93Å
309G91.4Very high88.2Confident0 Ų037.1 Ų37.10%020%0.199CC..THydrogen-bonded Turntrans74.218.3176.700000114.6F305 L306 S335 V336F305-G309 PolarHBondContact O-N 3.38Å; L306-G309 PolarHBondContact O-N 3.02Å; G309-S335 PolarHBondContact O-N 3.15Å; G309-V336 PolarHBondContact O-N 2.86Å
310I94.8Very high88.3Confident2 Ų237.1 Ų37.11%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-120.1148.6176.2-63.7160.1000107.7A271 I274 L275 L280 F305 L306 N308 V336A271-I310 HydrophobicContact CB-CG2 4.16Å; I274-I310 HydrophobicContact CG2-CD1 3.81Å; I274-I310 HydrophobicContact CG2-CG1 4.3Å; L275-I310 VanDerWaalsContact CA-CD1 3.47Å; L275-I310 HydrophobicContact CB-CD1 3.99Å; L275-I310 HydrophobicContact CD1-CD1 3.88Å; L280-I310 HydrophobicContact CD1-CD1 4.3Å; L280-I310 HydrophobicContact CD1-CG1 3.81Å; F305-I310 CarbonylContact C-O 3.46Å; F305-I310 WeakPolarHBondContact CA-O 3.42Å; F305-I310 VanDerWaalsContact CB-O 3.27Å; F305-I310 WeakPolarHBondContact CB-O 3.29Å; F305-I310 HydrophobicContact CD1-CG2 4.21Å; F305-I310 PolarHBondContact O-N 2.54Å; L306-I310 PolarHBondContact N-O 2.74Å; N308-I310 VanDerWaalsContact C-N 3.3Å; N308-I310 PolarHBondContact O-N 2.93Å; I310-V336 WeakPolarHBondContact CA-O 3.43Å; I310-V336 HydrophobicContact CG1-CB 4.4Å
311A95.6Very high88.4Confident0 Ų030.8 Ų30.80%016%0.164CC..EExtended strand (participates in β ladder)trans-148.8170.1169.500000111L302 L306 V325 I334 V336 L337 T338L302-A311 HydrophobicContact CD1-CB 4.44Å; L306-A311 HydrophobicContact CD2-CB 4.22Å; A311-V325 HydrophobicContact CB-CG1 3.89Å; A311-V325 HydrophobicContact CB-CG2 4.27Å; A311-I334 HydrophobicContact CB-CD1 3.71Å; A311-I334 HydrophobicContact CB-CG1 4.39Å; A311-I334 HydrophobicContact CB-CG2 4.29Å; A311-V336 PolarHBondContact N-O 3.12Å; A311-V336 VanDerWaalsContact N-O 3.09Å; A311-L337 HydrophobicContact CB-CD1 3.87Å; A311-T338 PolarHBondContact O-N 3.16Å
312Y95.8Very high88.5Confident11 Ų1125.1 Ų25.14%0.04314%0.138CC..EExtended strand (participates in β ladder)trans-123.1150.9167.555.4-97000109.8V268 A271 L302 F305 H314 M317 T338V268-Y312 HydrophobicContact CG1-CD1 4.45Å; V268-Y312 HydrophobicContact CG1-CE1 4.31Å; V268-Y312 HydrophobicContact CG2-CD1 4.27Å; V268-Y312 HydrophobicContact CG2-CD2 3.73Å; V268-Y312 HydrophobicContact CG2-CE1 4.42Å; V268-Y312 HydrophobicContact CG2-CE2 3.9Å; V268-Y312 HydrophobicContact CG2-CG 3.92Å; A271-Y312 HydrophobicContact CB-CD1 4.11Å; L302-Y312 HydrophobicContact CD1-CD1 4.39Å; L302-Y312 HydrophobicContact CD1-CE1 4.06Å; L302-Y312 HydrophobicContact CD1-CE2 4.34Å; F305-Y312 HydrophobicContact CD2-CD1 4.15Å; F305-Y312 AromaticContact CD2-CE1 3.58Å; F305-Y312 HydrophobicContact CD2-CE1 3.58Å; F305-Y312 HydrophobicContact CE2-CD1 4.32Å; F305-Y312 AromaticContact CE2-CE1 3.71Å; F305-Y312 HydrophobicContact CE2-CE1 3.71Å; F305-Y312 HydrophobicContact CG-CD1 4.33Å; F305-Y312 HydrophobicContact CG-CE1 4.19Å; F305-Y312 HydrophobicContact CZ-CE1 4.38Å; Y312-H314 AromaticContact CD2-CD2 3.86Å; Y312-H314 AromaticContact CD2-NE2 3.86Å; Y312-H314 AromaticContact CE2-NE2 3.93Å; Y312-M317 HydrophobicContact CD2-CE 4.3Å; Y312-M317 HydrophobicContact CD2-CG 4.49Å; Y312-M317 HydrophobicContact CD2-SD 3.68Å; Y312-M317 HydrophobicContact CE2-CE 4.15Å; Y312-M317 HydrophobicContact CE2-CG 4.23Å; Y312-M317 HydrophobicContact CE2-SD 3.86Å; Y312-M317 WeakPolarHBondContact O-CE 3.41Å; Y312-T338 CarbonylContact C-O 3.51Å; Y312-T338 WeakPolarHBondContact CA-O 3.47Å; Y312-T338 WeakPolarHBondContact CB-OG1 3.41Å
313H93.6Very high88.3Confident0 Ų029.1 Ų29.10%016%0.155CC..EExtended strand (participates in β ladder)trans-135.6120.9178.1-175.4-74.4000111.1V325 E326 L337 T338 C339 T340 T342 L343H313-V325 HydrophobicContact CB-CG1 4.38Å; H313-E326 IonicContact NE2-OE1 3.06Å; H313-E326 PolarHBondContact NE2-OE1 3.49Å; H313-L337 HydrophobicContact CB-CD1 4.08Å; H313-T338 PolarHBondContact N-O 2.99Å; H313-C339 HydrophobicContact CB-CB 4.06Å; H313-C339 WeakPolarHBondContact O-CA 3.44Å; H313-C339 WeakPolarHBondContact O-CB 3.06Å; H313-T340 PolarHBondContact O-N 3.2Å; H313-T342 PolarHBondContact ND1-OG1 3.19Å; H313-L343 HydrophobicContact CB-CD1 3.94Å
314H89.9Confident88.3Confident22 Ų2225.6 Ų25.610%0.10214%0.141CC..  trans-152.5161.517360.875.5000111.6R264 Y312 G316 M317 T340R264-H314 HydrophobicContact CB-CB 4.18Å; R264-H314 HydrophobicContact CG-CB 4.01Å; Y312-H314 AromaticContact CD2-CD2 3.86Å; Y312-H314 AromaticContact CD2-NE2 3.86Å; Y312-H314 AromaticContact CE2-NE2 3.93Å; H314-G316 WeakPolarHBondContact ND1-CA 3.44Å; H314-G316 PolarHBondContact ND1-N 2.84Å; H314-G316 VanDerWaalsContact ND1-N 3.11Å; H314-G316 PolarHBondContact O-N 2.85Å; H314-M317 PolarHBondContact O-N 2.8Å; H314-M317 VanDerWaalsContact O-N 3.11Å; H314-T340 HydrophobicContact CB-CG2 4.14Å
315A79.6Confident88.5Confident9 Ų921 Ų217%0.07412%0.116CC..THydrogen-bonded Turntrans-64.28.3-177.900000116T342 N1329A315-T342 HydrophobicContact CB-CG2 3.92Å; A315-N1329 HydrophobicContact CB-CB 3.62Å
316G77.4Confident88.4Confident34 Ų3421.4 Ų21.435%0.35112%0.118SC..THydrogen-bonded Turntrans-112.42.2177.500000113.3H314H314-G316 WeakPolarHBondContact ND1-CA 3.44Å; H314-G316 PolarHBondContact ND1-N 2.84Å; H314-G316 VanDerWaalsContact ND1-N 3.11Å; H314-G316 PolarHBondContact O-N 2.85Å
317M83.6Confident88.3Confident8 Ų824.6 Ų24.64%0.03914%0.135CC..SBendtrans-83.3154.8172.5-64.5172.565.400109.7L302 Y312 H314 D321 R322 V325L302-M317 HydrophobicContact CD1-CE 4.13Å; L302-M317 HydrophobicContact CD2-CE 3.55Å; L302-M317 HydrophobicContact CG-CE 4.47Å; Y312-M317 HydrophobicContact CD2-CE 4.3Å; Y312-M317 HydrophobicContact CD2-CG 4.49Å; Y312-M317 HydrophobicContact CD2-SD 3.68Å; Y312-M317 HydrophobicContact CE2-CE 4.15Å; Y312-M317 HydrophobicContact CE2-CG 4.23Å; Y312-M317 HydrophobicContact CE2-SD 3.86Å; Y312-M317 WeakPolarHBondContact O-CE 3.41Å; H314-M317 PolarHBondContact O-N 2.8Å; H314-M317 VanDerWaalsContact O-N 3.11Å; M317-D321 HydrophobicContact CE-CB 4.27Å; M317-R322 HydrophobicContact CB-CG 3.74Å; M317-V325 HydrophobicContact CE-CG2 4.12Å
318D80.8Confident88.5Confident31 Ų3122.5 Ų22.517%0.16612%0.12CC..  trans-59143.2169-173.5-80.2000109.4R298 E320 D321 R322R298-D318 IonicContact NH1-OD1 3.57Å; R298-D318 IonicContact NH1-OD2 2.95Å; R298-D318 PolarHBondContact NH1-OD2 3.43Å; D318-E320 PolarHBondContact O-N 2.87Å; D318-E320 VanDerWaalsContact OD1-CB 3.3Å; D318-E320 WeakPolarHBondContact OD1-CB 3.42Å; D318-E320 WeakPolarHBondContact OD1-CG 3.22Å; D318-E320 PolarHBondContact OD1-N 3.09Å; D318-D321 HydrophobicContact CB-CB 4.36Å; D318-D321 WeakPolarHBondContact O-CB 3.47Å; D318-D321 PolarHBondContact O-N 2.88Å; D318-R322 WeakPolarHBondContact O-CG 3.32Å; D318-R322 PolarHBondContact O-N 2.81Å
319V78.1Confident88.6Confident2 Ų218.3 Ų18.31%0.01210%0.098CC..Hα-helixtrans-52.3-45.4-178.4-172.60000112.7D321 R322 K323 Y603 C1333 A1336 C1337V319-D321 VanDerWaalsContact C-N 3.28Å; V319-D321 PolarHBondContact O-N 2.72Å; V319-R322 WeakPolarHBondContact O-CB 3.42Å; V319-R322 PolarHBondContact O-N 3.14Å; V319-R322 VanDerWaalsContact O-N 3.11Å; V319-K323 HydrophobicContact CG1-CD 4.34Å; V319-K323 HydrophobicContact CG1-CG 4.42Å; V319-K323 PolarHBondContact O-N 2.84Å; V319-Y603 WeakPolarHBondContact CG2-OH 3.45Å; V319-C1333 HydrophobicContact CB-CB 3.85Å; V319-C1333 HydrophobicContact CG1-CB 3.41Å; V319-C1333 VanDerWaalsContact CG1-CB 3.41Å; V319-C1333 VanDerWaalsContact CG1-O 3.29Å; V319-C1333 WeakPolarHBondContact CG1-O 3.49Å; V319-C1333 HydrophobicContact CG2-CB 3.58Å; V319-C1333 WeakPolarHBondContact CG2-O 3.07Å; V319-C1333 WeakPolarHBondContact CG2-SG 3.46Å; V319-A1336 HydrophobicContact CB-CB 4.4Å; V319-A1336 HydrophobicContact CG2-CB 3.53Å; V319-C1337 VanDerWaalsContact CG1-SG 3.55Å
320E85.6Confident88.5Confident49 Ų4922.8 Ų22.823%0.22912%0.115CC..Hα-helixtrans-67.9-40.4-172.7-60.3-72.714200108.3D318 R322 K323 L324 C1337 K1340D318-E320 PolarHBondContact O-N 2.87Å; D318-E320 VanDerWaalsContact OD1-CB 3.3Å; D318-E320 WeakPolarHBondContact OD1-CB 3.42Å; D318-E320 WeakPolarHBondContact OD1-CG 3.22Å; D318-E320 PolarHBondContact OD1-N 3.09Å; E320-R322 PolarHBondContact O-N 3.11Å; E320-K323 PolarHBondContact O-N 2.85Å; E320-L324 WeakPolarHBondContact O-CB 3.42Å; E320-L324 PolarHBondContact O-N 3.46Å; E320-C1337 PolarHBondContact OE1-SG 3.01Å; E320-K1340 HydrophobicContact CG-CD 4.35Å; E320-K1340 WeakPolarHBondContact OE1-CD 3.47Å; E320-K1340 IonicContact OE1-NZ 3.39Å; E320-K1340 IonicContact OE2-NZ 2.66Å; E320-K1340 PolarHBondContact OE2-NZ 3.48Å
321D89.2Confident88.2Confident4 Ų424.5 Ų24.52%0.02113%0.127CC..Hα-helixtrans-65.3-36.2172.7-68.8-14000111.6T297 R298 N299 L302 M317 D318 V319 V325T297-D321 WeakPolarHBondContact CA-OD1 3.12Å; T297-D321 PolarHBondContact OG1-OD1 3.38Å; R298-D321 PolarHBondContact N-OD1 2.54Å; N299-D321 WeakPolarHBondContact CB-OD2 3.45Å; N299-D321 PolarHBondContact N-OD2 2.82Å; L302-D321 HydrophobicContact CD2-CB 3.98Å; M317-D321 HydrophobicContact CE-CB 4.27Å; D318-D321 HydrophobicContact CB-CB 4.36Å; D318-D321 WeakPolarHBondContact O-CB 3.47Å; D318-D321 PolarHBondContact O-N 2.88Å; V319-D321 VanDerWaalsContact C-N 3.28Å; V319-D321 PolarHBondContact O-N 2.72Å; D321-V325 WeakPolarHBondContact O-CB 3.39Å; D321-V325 VanDerWaalsContact O-CG2 3.27Å; D321-V325 WeakPolarHBondContact O-CG2 3.45Å; D321-V325 PolarHBondContact O-N 3.04Å
322R88Confident87.8Confident13 Ų1326.4 Ų26.45%0.04915%0.147CC..Hα-helixtrans-62.2-54.6174.3-66.9-158-61.1138.6-26111.4M317 D318 V319 E320 L324 V325 E326 N1329 D1330 C1333M317-R322 HydrophobicContact CB-CG 3.74Å; D318-R322 WeakPolarHBondContact O-CG 3.32Å; D318-R322 PolarHBondContact O-N 2.81Å; V319-R322 WeakPolarHBondContact O-CB 3.42Å; V319-R322 PolarHBondContact O-N 3.14Å; V319-R322 VanDerWaalsContact O-N 3.11Å; E320-R322 PolarHBondContact O-N 3.11Å; R322-L324 VanDerWaalsContact C-N 3.29Å; R322-L324 PolarHBondContact O-N 2.75Å; R322-V325 PolarHBondContact O-N 2.86Å; R322-V325 VanDerWaalsContact O-N 3.14Å; R322-E326 WeakPolarHBondContact O-CG 3.42Å; R322-E326 PolarHBondContact O-N 3.18Å; R322-N1329 PolarHBondContact NH2-O 3.1Å; R322-D1330 IonicContact CZ-OD1 3.69Å; R322-D1330 IonicContact NH1-OD1 2.68Å; R322-D1330 PolarHBondContact NH1-OD1 3.02Å; R322-D1330 IonicContact NH2-OD1 3.83Å; R322-D1330 PolarHBondContact NH2-OD1 3.37Å; R322-C1333 PolarHBondContact NE-SG 3.31Å; R322-C1333 PolarHBondContact NH2-SG 3.45Å
323K87.3Confident87.4Confident85 Ų8525.9 Ų25.937%0.3715%0.145SC..Hα-helixtrans-57-44.8178.3-72.1-174.8174.7-171.10111.2V319 E320 V325 E326 D327 C1337V319-K323 HydrophobicContact CG1-CD 4.34Å; V319-K323 HydrophobicContact CG1-CG 4.42Å; V319-K323 PolarHBondContact O-N 2.84Å; E320-K323 PolarHBondContact O-N 2.85Å; K323-V325 PolarHBondContact O-N 3.37Å; K323-E326 PolarHBondContact O-N 3.05Å; K323-D327 WeakPolarHBondContact O-CB 3.23Å; K323-D327 PolarHBondContact O-N 3.05Å; K323-C1337 WeakPolarHBondContact CE-SG 3.42Å; K323-C1337 PolarHBondContact NZ-SG 3.19Å
324L91.6Very high87.3Confident19 Ų1926 Ų2610%0.09915%0.145CC..Hα-helixtrans-58.2-45.8176.5-174.7162.4000112Y293 N296 L306 E320 R322 D327 A328Y293-L324 HydrophobicContact CD1-CD2 3.9Å; Y293-L324 HydrophobicContact CD1-CG 3.95Å; Y293-L324 HydrophobicContact CG-CD2 4.32Å; N296-L324 HydrophobicContact CB-CD1 3.69Å; L306-L324 HydrophobicContact CD1-CD2 3.67Å; L306-L324 HydrophobicContact CD2-CD2 4.38Å; E320-L324 WeakPolarHBondContact O-CB 3.42Å; E320-L324 PolarHBondContact O-N 3.46Å; R322-L324 VanDerWaalsContact C-N 3.29Å; R322-L324 PolarHBondContact O-N 2.75Å; L324-D327 PolarHBondContact O-N 3.39Å; L324-A328 VanDerWaalsContact O-CB 3.26Å; L324-A328 WeakPolarHBondContact O-CB 3.41Å; L324-A328 PolarHBondContact O-N 3.27Å
325V93.1Very high87.4Confident0 Ų026.4 Ų26.40%015%0.151CC..Hα-helixtrans-64.8-41.5176.8167.80000111.7L302 L306 A311 H313 M317 D321 R322 K323 A328 F329 I334 L337L302-V325 HydrophobicContact CD1-CG2 4.16Å; L302-V325 HydrophobicContact CD2-CG2 3.86Å; L302-V325 HydrophobicContact CG-CG2 4.46Å; L306-V325 HydrophobicContact CD2-CG2 4.33Å; A311-V325 HydrophobicContact CB-CG1 3.89Å; A311-V325 HydrophobicContact CB-CG2 4.27Å; H313-V325 HydrophobicContact CB-CG1 4.38Å; M317-V325 HydrophobicContact CE-CG2 4.12Å; D321-V325 WeakPolarHBondContact O-CB 3.39Å; D321-V325 VanDerWaalsContact O-CG2 3.27Å; D321-V325 WeakPolarHBondContact O-CG2 3.45Å; D321-V325 PolarHBondContact O-N 3.04Å; R322-V325 PolarHBondContact O-N 2.86Å; R322-V325 VanDerWaalsContact O-N 3.14Å; K323-V325 PolarHBondContact O-N 3.37Å; V325-A328 PolarHBondContact O-N 2.75Å; V325-F329 WeakPolarHBondContact O-CB 2.82Å; V325-F329 PolarHBondContact O-N 3.38Å; V325-I334 HydrophobicContact CG1-CD1 4.17Å; V325-I334 WeakPolarHBondContact O-CD1 3.15Å; V325-L337 HydrophobicContact CG1-CD1 3.59Å; V325-L337 HydrophobicContact CG1-CD2 4.48Å
326E90.7Very high88.2Confident26 Ų2626 Ų2612%0.12115%0.148CC..Hα-helixtrans-64-44.5176.6-65.7175.2-15800111.9H313 R322 K323 F329 R330 L343H313-E326 IonicContact NE2-OE1 3.06Å; H313-E326 PolarHBondContact NE2-OE1 3.49Å; R322-E326 WeakPolarHBondContact O-CG 3.42Å; R322-E326 PolarHBondContact O-N 3.18Å; K323-E326 PolarHBondContact O-N 3.05Å; E326-F329 PolarHBondContact O-N 2.88Å; E326-R330 VanDerWaalsContact CB-NH2 3.25Å; E326-R330 WeakPolarHBondContact O-CB 3.46Å; E326-R330 WeakPolarHBondContact O-CG 2.96Å; E326-R330 PolarHBondContact O-N 3.38Å; E326-R330 IonicContact OE2-NH2 3.31Å; E326-R330 PolarHBondContact OE2-NH2 2.94Å; E326-L343 HydrophobicContact CG-CD2 4.28Å
327D90.3Very high89.1Confident69 Ų6924.4 Ų24.437%0.36913%0.131SC..Hα-helixtrans-61.1-44.6176.4-68.3-16.4000111Y293 K323 L324 F329 R330 S331Y293-D327 HydrophobicContact CE1-CB 4.23Å; K323-D327 WeakPolarHBondContact O-CB 3.23Å; K323-D327 PolarHBondContact O-N 3.05Å; L324-D327 PolarHBondContact O-N 3.39Å; D327-F329 VanDerWaalsContact C-N 3.32Å; D327-F329 PolarHBondContact O-N 3.36Å; D327-R330 PolarHBondContact O-N 2.86Å; D327-R330 IonicContact OD1-CZ 3.7Å; D327-R330 IonicContact OD1-NH1 2.77Å; D327-R330 PolarHBondContact OD1-NH1 3.31Å; D327-R330 IonicContact OD1-NH2 2.93Å; D327-S331 WeakPolarHBondContact O-CB 3.35Å; D327-S331 PolarHBondContact O-N 3.27Å; D327-S331 PolarHBondContact O-OG 2.87Å
328A92.1Very high89.7Confident1 Ų124 Ų241%0.00813%0.129CC..Hα-helixtrans-66.5-30177.800000113.2Y293 L306 L324 V325 S331 C333 I334Y293-A328 HydrophobicContact CD1-CB 3.94Å; Y293-A328 HydrophobicContact CD2-CB 3.68Å; Y293-A328 HydrophobicContact CE1-CB 4.05Å; Y293-A328 HydrophobicContact CE2-CB 3.82Å; Y293-A328 HydrophobicContact CG-CB 3.75Å; L306-A328 HydrophobicContact CD2-CB 4.49Å; L324-A328 VanDerWaalsContact O-CB 3.26Å; L324-A328 WeakPolarHBondContact O-CB 3.41Å; L324-A328 PolarHBondContact O-N 3.27Å; V325-A328 PolarHBondContact O-N 2.75Å; A328-S331 PolarHBondContact O-OG 3.16Å; A328-S331 VanDerWaalsContact O-OG 3.05Å; A328-C333 WeakPolarHBondContact O-CA 3.12Å; A328-C333 WeakPolarHBondContact O-CB 3.37Å; A328-C333 PolarHBondContact O-N 2.84Å; A328-I334 HydrophobicContact CB-CD1 3.54Å; A328-I334 HydrophobicContact CB-CG1 3.99Å; A328-I334 PolarHBondContact O-N 3.22Å
329F92.2Very high90.4Very high0 Ų022.6 Ų22.60%012%0.121CC..Hα-helixtrans-75.2-42.7172.4-168.6-101.6000110.9P256 V325 E326 D327 S331 G332 I334 L337 L349 P350 A351P256-F329 HydrophobicContact CB-CE2 3.95Å; P256-F329 HydrophobicContact CB-CZ 3.79Å; V325-F329 WeakPolarHBondContact O-CB 2.82Å; V325-F329 PolarHBondContact O-N 3.38Å; E326-F329 PolarHBondContact O-N 2.88Å; D327-F329 VanDerWaalsContact C-N 3.32Å; D327-F329 PolarHBondContact O-N 3.36Å; F329-S331 VanDerWaalsContact C-N 3.3Å; F329-S331 PolarHBondContact O-N 2.96Å; F329-G332 PolarHBondContact O-N 3.06Å; F329-G332 VanDerWaalsContact O-N 3.09Å; F329-I334 HydrophobicContact CB-CB 4.4Å; F329-I334 HydrophobicContact CB-CD1 4.35Å; F329-I334 HydrophobicContact CD2-CB 3.9Å; F329-I334 HydrophobicContact CD2-CG2 3.83Å; F329-I334 HydrophobicContact CE2-CG2 4.49Å; F329-L337 HydrophobicContact CB-CD2 4.08Å; F329-L337 HydrophobicContact CD1-CD2 4.25Å; F329-L337 HydrophobicContact CD2-CB 3.59Å; F329-L337 HydrophobicContact CD2-CD2 3.94Å; F329-L337 HydrophobicContact CD2-CG 4.4Å; F329-L337 HydrophobicContact CE2-CB 3.61Å; F329-L337 HydrophobicContact CE2-CD2 4.45Å; F329-L337 HydrophobicContact CG-CB 4.34Å; F329-L337 HydrophobicContact CG-CD2 3.82Å; F329-L337 HydrophobicContact CZ-CB 4.38Å; F329-L349 HydrophobicContact CD1-CB 4.02Å; F329-L349 HydrophobicContact CD1-CD2 4.01Å; F329-L349 HydrophobicContact CD1-CG 4.41Å; F329-L349 HydrophobicContact CE1-CB 3.93Å; F329-P350 HydrophobicContact CD1-CG 4.21Å; F329-P350 HydrophobicContact CE1-CG 4.25Å; F329-P350 WeakPolarHBondContact O-CG 3.43Å; F329-A351 HydrophobicContact CE1-CB 4.3Å; F329-A351 HydrophobicContact CZ-CB 4.29Å
330R89.3Confident91Very high94 Ų9423 Ų2336%0.35512%0.124SC..Hα-helixtrans-62-34.7176.2-74.2-172.7-118.4107.4-1.8112.8E326 D327 G332 N348 L349E326-R330 VanDerWaalsContact CB-NH2 3.25Å; E326-R330 WeakPolarHBondContact O-CB 3.46Å; E326-R330 WeakPolarHBondContact O-CG 2.96Å; E326-R330 PolarHBondContact O-N 3.38Å; E326-R330 IonicContact OE2-NH2 3.31Å; E326-R330 PolarHBondContact OE2-NH2 2.94Å; D327-R330 PolarHBondContact O-N 2.86Å; D327-R330 IonicContact OD1-CZ 3.7Å; D327-R330 IonicContact OD1-NH1 2.77Å; D327-R330 PolarHBondContact OD1-NH1 3.31Å; D327-R330 IonicContact OD1-NH2 2.93Å; R330-G332 PolarHBondContact O-N 3.43Å; R330-N348 WeakPolarHBondContact CD-O 3.35Å; R330-L349 HydrophobicContact CG-CD2 3.95Å
331S87.9Confident91.1Very high38 Ų3822.1 Ų22.127%0.26612%0.123SC..THydrogen-bonded Turntrans-75.5-3.8176.370.90000114.4R289 D327 A328 F329 C333R289-S331 PolarHBondContact NH1-O 3.1Å; D327-S331 WeakPolarHBondContact O-CB 3.35Å; D327-S331 PolarHBondContact O-N 3.27Å; D327-S331 PolarHBondContact O-OG 2.87Å; A328-S331 PolarHBondContact O-OG 3.16Å; A328-S331 VanDerWaalsContact O-OG 3.05Å; F329-S331 VanDerWaalsContact C-N 3.3Å; F329-S331 PolarHBondContact O-N 2.96Å; S331-C333 VanDerWaalsContact C-N 3.28Å; S331-C333 PolarHBondContact O-N 3.46Å; S331-C333 PolarHBondContact OG-SG 2.9Å
332G87Confident90.7Very high39 Ų3922.1 Ų22.140%0.40212%0.123SC..THydrogen-bonded Turntrans75.711.1-175.200000114.3F329 R330F329-G332 PolarHBondContact O-N 3.06Å; F329-G332 VanDerWaalsContact O-N 3.09Å; R330-G332 PolarHBondContact O-N 3.43Å
333C87.9Confident90.7Very high1 Ų121.5 Ų21.51%0.00712%0.121CC..  trans-76-29.8-179.9-66.90000112.5R289 R290 Y293 A328 S331R289-C333 WeakPolarHBondContact CB-SG 3.42Å; R290-C333 HydrophobicContact CG-CB 4.02Å; R290-C333 WeakPolarHBondContact CG-O 3.37Å; R290-C333 PolarHBondContact NE-O 2.99Å; Y293-C333 HydrophobicContact CD2-CB 4.36Å; Y293-C333 HydrophobicContact CE2-CB 4.3Å; A328-C333 WeakPolarHBondContact O-CA 3.12Å; A328-C333 WeakPolarHBondContact O-CB 3.37Å; A328-C333 PolarHBondContact O-N 2.84Å; S331-C333 VanDerWaalsContact C-N 3.28Å; S331-C333 PolarHBondContact O-N 3.46Å; S331-C333 PolarHBondContact OG-SG 2.9Å
334I91.8Very high90.5Very high1 Ų117.8 Ų17.81%0.00511%0.106CC..  trans-98120.8175.4-62.8165.2000108.8L306 A311 V325 A328 F329 V336 L337L306-I334 HydrophobicContact CD2-CD1 3.8Å; L306-I334 HydrophobicContact CD2-CG1 4.23Å; A311-I334 HydrophobicContact CB-CD1 3.71Å; A311-I334 HydrophobicContact CB-CG1 4.39Å; A311-I334 HydrophobicContact CB-CG2 4.29Å; V325-I334 HydrophobicContact CG1-CD1 4.17Å; V325-I334 WeakPolarHBondContact O-CD1 3.15Å; A328-I334 HydrophobicContact CB-CD1 3.54Å; A328-I334 HydrophobicContact CB-CG1 3.99Å; A328-I334 PolarHBondContact O-N 3.22Å; F329-I334 HydrophobicContact CB-CB 4.4Å; F329-I334 HydrophobicContact CB-CD1 4.35Å; F329-I334 HydrophobicContact CD2-CB 3.9Å; F329-I334 HydrophobicContact CD2-CG2 3.83Å; F329-I334 HydrophobicContact CE2-CG2 4.49Å; I334-V336 VanDerWaalsContact CG2-O 3.3Å; I334-V336 WeakPolarHBondContact CG2-O 3.43Å; I334-L337 HydrophobicContact CG2-CB 4.25Å
335S92.7Very high89.9Confident31 Ų3118.5 Ų18.522%0.21711%0.109CC..SBendtrans-84.3-32177.2-54.50000112.1P256 V257 G309P256-S335 CarbonylContact C-O 3.46Å; P256-S335 WeakPolarHBondContact CA-O 3.44Å; V257-S335 PolarHBondContact N-O 3.02Å; G309-S335 PolarHBondContact O-N 3.15Å
336V95.4Very high88.6Confident2 Ų219 Ų191%0.01211%0.114CC..EExtended strand (participates in β ladder)trans-133.4119179.1-173.30000110.6V257 I259 I274 L280 G309 I310 A311 I334V257-V336 HydrophobicContact CB-CG1 4.31Å; V257-V336 HydrophobicContact CB-CG2 4.26Å; V257-V336 HydrophobicContact CG2-CG2 4.44Å; V257-V336 WeakPolarHBondContact O-CA 3.24Å; I259-V336 HydrophobicContact CD1-CG1 3.86Å; I259-V336 HydrophobicContact CG1-CG1 4.43Å; I274-V336 HydrophobicContact CD1-CG1 3.91Å; I274-V336 HydrophobicContact CG2-CB 4.48Å; I274-V336 HydrophobicContact CG2-CG1 4.27Å; L280-V336 HydrophobicContact CD2-CG2 4.4Å; G309-V336 PolarHBondContact O-N 2.86Å; I310-V336 WeakPolarHBondContact CA-O 3.43Å; I310-V336 HydrophobicContact CG1-CB 4.4Å; A311-V336 PolarHBondContact N-O 3.12Å; A311-V336 VanDerWaalsContact N-O 3.09Å; I334-V336 VanDerWaalsContact CG2-O 3.3Å; I334-V336 WeakPolarHBondContact CG2-O 3.43Å
337L96.4Very high87.8Confident0 Ų018.4 Ų18.40%011%0.112CC..EExtended strand (participates in β ladder)trans-114.1120176-179.858.6000109.9V257 L258 I259 A311 H313 V325 F329 I334 L343V257-L337 PolarHBondContact O-N 3.26Å; L258-L337 CarbonylContact C-O 3.52Å; L258-L337 WeakPolarHBondContact CA-O 3.48Å; L258-L337 HydrophobicContact CD1-CB 4.05Å; L258-L337 HydrophobicContact CD1-CD2 3.91Å; L258-L337 HydrophobicContact CD1-CG 3.93Å; I259-L337 PolarHBondContact N-O 2.97Å; A311-L337 HydrophobicContact CB-CD1 3.87Å; H313-L337 HydrophobicContact CB-CD1 4.08Å; V325-L337 HydrophobicContact CG1-CD1 3.59Å; V325-L337 HydrophobicContact CG1-CD2 4.48Å; F329-L337 HydrophobicContact CB-CD2 4.08Å; F329-L337 HydrophobicContact CD1-CD2 4.25Å; F329-L337 HydrophobicContact CD2-CB 3.59Å; F329-L337 HydrophobicContact CD2-CD2 3.94Å; F329-L337 HydrophobicContact CD2-CG 4.4Å; F329-L337 HydrophobicContact CE2-CB 3.61Å; F329-L337 HydrophobicContact CE2-CD2 4.45Å; F329-L337 HydrophobicContact CG-CB 4.34Å; F329-L337 HydrophobicContact CG-CD2 3.82Å; F329-L337 HydrophobicContact CZ-CB 4.38Å; I334-L337 HydrophobicContact CG2-CB 4.25Å; L337-L343 HydrophobicContact CD2-CD1 3.53Å; L337-L343 HydrophobicContact CG-CD1 4.31Å
338T97.1Very high87.2Confident0 Ų017 Ų170%011%0.105CC..EExtended strand (participates in β ladder)trans-93.5139.1169.370.40000109.3I259 A267 T270 A271 I274 A311 Y312 H313I259-T338 HydrophobicContact CB-CG2 4.32Å; I259-T338 HydrophobicContact CD1-CG2 4.4Å; I259-T338 CarbonylContact O-C 3.55Å; I259-T338 WeakPolarHBondContact O-CA 3.47Å; A267-T338 PolarHBondContact O-OG1 3.15Å; T270-T338 HydrophobicContact CG2-CG2 3.81Å; A271-T338 HydrophobicContact CB-CG2 4.04Å; A271-T338 WeakPolarHBondContact CB-OG1 3.5Å; I274-T338 HydrophobicContact CD1-CG2 4.03Å; A311-T338 PolarHBondContact O-N 3.16Å; Y312-T338 CarbonylContact C-O 3.51Å; Y312-T338 WeakPolarHBondContact CA-O 3.47Å; Y312-T338 WeakPolarHBondContact CB-OG1 3.41Å; H313-T338 PolarHBondContact N-O 2.99Å
339C95.3Very high86.7Confident0 Ų017 Ų170%011%0.105CC..EExtended strand (participates in β ladder)trans-147.3161.7-179.863.10000111.8L258 I259 F260 C261 H313 L343L258-C339 VanDerWaalsContact CD1-SG 3.57Å; I259-C339 PolarHBondContact O-N 3.35Å; F260-C339 CarbonylContact C-O 3.47Å; F260-C339 WeakPolarHBondContact CA-O 3.41Å; F260-C339 VanDerWaalsContact CD1-SG 3.54Å; F260-C339 VanDerWaalsContact CE1-SG 3.58Å; C261-C339 PolarHBondContact N-O 3.24Å; H313-C339 HydrophobicContact CB-CB 4.06Å; H313-C339 WeakPolarHBondContact O-CA 3.44Å; H313-C339 WeakPolarHBondContact O-CB 3.06Å; C339-L343 HydrophobicContact CB-CD1 3.84Å; C339-L343 HydrophobicContact CB-CG 4.21Å
340T91.3Very high86.4Confident11 Ų1117.6 Ų17.67%0.06711%0.108CC..  trans-79.9-170.5158.553.40000109.2F260 C261 T263 R264 H313 H314 T342F260-T340 WeakPolarHBondContact CD1-O 3.47Å; C261-T340 WeakPolarHBondContact O-CA 3.35Å; T263-T340 VanDerWaalsContact C-CG2 3.47Å; R264-T340 HydrophobicContact CG-CG2 4.36Å; H313-T340 PolarHBondContact O-N 3.2Å; H314-T340 HydrophobicContact CB-CG2 4.14Å; T340-T342 PolarHBondContact O-N 2.8Å; T340-T342 WeakPolarHBondContact OG1-CG2 3.29Å
341S86Confident86.6Confident30 Ų3013.1 Ų13.121%0.219%0.092CC..G310 helixtrans-58.50.917547.90000115.4L343 A344 Q1326S341-L343 PolarHBondContact O-N 3.07Å; S341-L343 VanDerWaalsContact O-N 3.09Å; S341-A344 WeakPolarHBondContact O-CB 3.31Å; S341-A344 PolarHBondContact O-N 2.67Å; S341-Q1326 VanDerWaalsContact O-CD 3.3Å; S341-Q1326 PolarHBondContact O-OE1 2.83Å; S341-Q1326 PolarHBondContact OG-NE2 2.77Å; S341-Q1326 PolarHBondContact OG-OE1 3.39Å
342T82.4Confident86.9Confident5 Ų511.4 Ų11.43%0.0318%0.079CC..G310 helixtrans-61.7-25-175.3450000113.2H313 A315 T340 Q1326H313-T342 PolarHBondContact ND1-OG1 3.19Å; A315-T342 HydrophobicContact CB-CG2 3.92Å; T340-T342 PolarHBondContact O-N 2.8Å; T340-T342 WeakPolarHBondContact OG1-CG2 3.29Å; T342-Q1326 VanDerWaalsContact CA-CD 3.45Å; T342-Q1326 HydrophobicContact CG2-CG 4.26Å; T342-Q1326 VanDerWaalsContact CG2-NE2 3.25Å; T342-Q1326 VanDerWaalsContact N-CD 3.3Å
343L87.1Confident87.3Confident0 Ų09.5 Ų9.50%06%0.06CC..G310 helixtrans-107.610.8178.8-58179000112L258 F260 H313 E326 L337 C339 S341 M345 V347 L349 R381L258-L343 HydrophobicContact CD1-CD1 4.16Å; F260-L343 HydrophobicContact CE1-CB 4.48Å; H313-L343 HydrophobicContact CB-CD1 3.94Å; E326-L343 HydrophobicContact CG-CD2 4.28Å; L337-L343 HydrophobicContact CD2-CD1 3.53Å; L337-L343 HydrophobicContact CG-CD1 4.31Å; C339-L343 HydrophobicContact CB-CD1 3.84Å; C339-L343 HydrophobicContact CB-CG 4.21Å; S341-L343 PolarHBondContact O-N 3.07Å; S341-L343 VanDerWaalsContact O-N 3.09Å; L343-M345 VanDerWaalsContact C-N 3.33Å; L343-V347 HydrophobicContact CD2-CG2 4.05Å; L343-L349 HydrophobicContact CB-CD1 3.92Å; L343-L349 HydrophobicContact CD1-CD1 3.92Å; L343-L349 HydrophobicContact CD2-CD1 4.27Å; L343-L349 HydrophobicContact CG-CD1 4.25Å; L343-R381 WeakPolarHBondContact O-CD 3.42Å; L343-R381 PolarHBondContact O-NE 3.25Å
344A83.9Confident87.8Confident6 Ų69.5 Ų9.55%0.056%0.06CC..THydrogen-bonded Turntrans-73.6-29.3177.100000111.4F260 S341 M378 R381F260-A344 HydrophobicContact CE1-CB 3.86Å; F260-A344 HydrophobicContact CZ-CB 4.14Å; S341-A344 WeakPolarHBondContact O-CB 3.31Å; S341-A344 PolarHBondContact O-N 2.67Å; A344-M378 HydrophobicContact CB-CE 4.49Å; A344-M378 HydrophobicContact CB-CG 3.76Å; A344-R381 PolarHBondContact O-NE 3.11Å; A344-R381 PolarHBondContact O-NH2 3.2Å
345M77.9Confident88Confident35 Ų359.4 Ų9.417%0.1726%0.059CC..SBendtrans-125.6156.3-179.6-64.4-177.97500110.8P77 L155 L343 V347 Q377P77-M345 HydrophobicContact CG-CE 4.06Å; L155-M345 HydrophobicContact CD1-CE 4.37Å; L343-M345 VanDerWaalsContact C-N 3.33Å; M345-V347 PolarHBondContact O-N 2.66Å; M345-V347 VanDerWaalsContact O-N 3.15Å; M345-Q377 HydrophobicContact CG-CB 4.33Å; M345-Q377 HydrophobicContact CG-CG 4.23Å
346G66Low88.2Confident10 Ų108 Ų810%0.1035%0.049CC..SBendtrans69.69.3163.100000120.3I81 Q84I81-G346 VanDerWaalsContact CG1-CA 3.4Å; Q84-G346 PolarHBondContact OE1-O 3.14Å
347V74Confident88.2Confident13 Ų138 Ų88%0.0795%0.05CC..  trans-137127.7175-163.60000112.2L343 M345 L349 R381L343-V347 HydrophobicContact CD2-CG2 4.05Å; M345-V347 PolarHBondContact O-N 2.66Å; M345-V347 VanDerWaalsContact O-N 3.15Å; V347-L349 HydrophobicContact CB-CD1 4.4Å; V347-L349 HydrophobicContact CB-CD2 4.34Å; V347-L349 HydrophobicContact CB-CG 4.08Å; V347-L349 HydrophobicContact CG1-CD1 4.4Å; V347-L349 HydrophobicContact CG1-CD2 3.5Å; V347-L349 VanDerWaalsContact CG1-CD2 3.5Å; V347-L349 HydrophobicContact CG1-CG 3.76Å; V347-L349 PolarHBondContact O-N 2.86Å; V347-R381 PolarHBondContact O-NH1 3.03Å
348N77.6Confident88.1Confident40 Ų408 Ų821%0.2145%0.05CC..  trans-81.4105.2172.8-171.628.3000109.9R330 Q386R330-N348 WeakPolarHBondContact CD-O 3.35Å; N348-Q386 PolarHBondContact ND2-OE1 2.98Å
349L82.4Confident87.8Confident2 Ų28 Ų81%0.015%0.05CC..  trans-119.9141-174.1-62.5175.6000111.2L258 F329 R330 L343 V347 A351L258-L349 HydrophobicContact CD2-CD1 4.38Å; F329-L349 HydrophobicContact CD1-CB 4.02Å; F329-L349 HydrophobicContact CD1-CD2 4.01Å; F329-L349 HydrophobicContact CD1-CG 4.41Å; F329-L349 HydrophobicContact CE1-CB 3.93Å; R330-L349 HydrophobicContact CG-CD2 3.95Å; L343-L349 HydrophobicContact CB-CD1 3.92Å; L343-L349 HydrophobicContact CD1-CD1 3.92Å; L343-L349 HydrophobicContact CD2-CD1 4.27Å; L343-L349 HydrophobicContact CG-CD1 4.25Å; V347-L349 HydrophobicContact CB-CD1 4.4Å; V347-L349 HydrophobicContact CB-CD2 4.34Å; V347-L349 HydrophobicContact CB-CG 4.08Å; V347-L349 HydrophobicContact CG1-CD1 4.4Å; V347-L349 HydrophobicContact CG1-CD2 3.5Å; V347-L349 VanDerWaalsContact CG1-CD2 3.5Å; V347-L349 HydrophobicContact CG1-CG 3.76Å; V347-L349 PolarHBondContact O-N 2.86Å; L349-A351 PolarHBondContact O-N 2.81Å
350P85.7Confident87.5Confident11 Ų119.6 Ų9.67%0.0716%0.057CC..  trans-80.560.218035.3-39.3000112.4P256 F329 F387P256-P350 VanDerWaalsContact CB-O 3.23Å; P256-P350 WeakPolarHBondContact CB-O 3.38Å; P256-P350 WeakPolarHBondContact CG-O 3.33Å; F329-P350 HydrophobicContact CD1-CG 4.21Å; F329-P350 HydrophobicContact CE1-CG 4.25Å; F329-P350 WeakPolarHBondContact O-CG 3.43Å; P350-F387 HydrophobicContact CB-CB 3.93Å; P350-F387 HydrophobicContact CB-CD1 3.62Å; P350-F387 HydrophobicContact CB-CD2 3.75Å; P350-F387 HydrophobicContact CB-CE1 4.01Å; P350-F387 HydrophobicContact CB-CE2 4.14Å; P350-F387 HydrophobicContact CB-CG 3.48Å; P350-F387 VanDerWaalsContact CB-CG 3.48Å; P350-F387 HydrophobicContact CB-CZ 4.26Å
351A92.4Very high87.2Confident1 Ų110.4 Ų10.41%0.0086%0.06CC..BIsolated β-bridgetrans-93.4120.3178.200000111.4L258 F329 L349 V354 A382 G383L258-A351 HydrophobicContact CB-CB 3.84Å; F329-A351 HydrophobicContact CE1-CB 4.3Å; F329-A351 HydrophobicContact CZ-CB 4.29Å; L349-A351 PolarHBondContact O-N 2.81Å; A351-V354 HydrophobicContact CB-CG2 4.27Å; A351-A382 CarbonylContact O-C 3.53Å; A351-A382 VanDerWaalsContact O-CA 3.29Å; A351-A382 WeakPolarHBondContact O-CA 3.41Å; A351-G383 PolarHBondContact O-N 3.12Å
352H94.3Very high86.8Confident1 Ų112.2 Ų12.21%0.0057%0.069CC..SBendtrans-81.4-48.7171.3177.570.9000110.8S252 K255 P256 D388 E390 V392S252-H352 PolarHBondContact O-CD2 3.47Å; K255-H352 HydrophobicContact CB-CB 3.45Å; K255-H352 VanDerWaalsContact CB-CB 3.45Å; K255-H352 HydrophobicContact CD-CB 3.89Å; K255-H352 HydrophobicContact CG-CB 4.36Å; P256-H352 PolarHBondContact O-N 2.92Å; H352-D388 VanDerWaalsContact CA-OD2 3.27Å; H352-D388 WeakPolarHBondContact CA-OD2 3.5Å; H352-D388 VanDerWaalsContact CB-OD2 3.27Å; H352-D388 WeakPolarHBondContact CB-OD2 3.45Å; H352-D388 IonicContact CG-OD2 2.65Å; H352-D388 IonicContact ND1-OD1 3.84Å; H352-D388 PolarHBondContact ND1-OD1 3.46Å; H352-D388 IonicContact ND1-OD2 3.8Å; H352-E390 PolarHBondContact CE1-O 2.95Å; H352-E390 PolarHBondContact ND1-O 3.46Å; H352-E390 VanDerWaalsContact ND1-O 3.15Å; H352-V392 PolarHBondContact O-N 3.39Å
353L96.4Very high86.3Confident0 Ų013.8 Ų13.80%08%0.079CC..EExtended strand (participates in β ladder)trans-107123.2178.8173.961.5000110.1P256 V257 L258 I355 V392 V394P256-L353 PolarHBondContact O-N 2.97Å; V257-L353 WeakPolarHBondContact CA-O 3.41Å; V257-L353 HydrophobicContact CG1-CB 4.29Å; V257-L353 HydrophobicContact CG1-CD2 3.93Å; V257-L353 HydrophobicContact CG1-CG 4.04Å; V257-L353 HydrophobicContact CG2-CB 4.21Å; V257-L353 HydrophobicContact CG2-CD2 4.09Å; L258-L353 PolarHBondContact N-O 3.25Å; L353-I355 HydrophobicContact CD1-CG1 4.17Å; L353-I355 HydrophobicContact CD2-CD1 4.02Å; L353-I355 HydrophobicContact CD2-CG1 4.1Å; L353-I355 HydrophobicContact CG-CD1 4.42Å; L353-I355 HydrophobicContact CG-CG1 3.94Å; L353-V392 WeakPolarHBondContact CA-O 3.5Å; L353-V392 HydrophobicContact CD1-CB 4.05Å; L353-V392 HydrophobicContact CD1-CG1 4.02Å; L353-V394 HydrophobicContact CD1-CB 4.47Å; L353-V394 HydrophobicContact CD1-CG2 3.79Å
354V96.6Very high85.2Confident0 Ų016.2 Ų16.20%09%0.092CC..EExtended strand (participates in β ladder)trans-106.7127.8166.81720000109.4L258 F260 A351 V356 R381 A382 V392 A393 V394L258-V354 HydrophobicContact CB-CG2 4.32Å; L258-V354 CarbonylContact O-C 3.5Å; L258-V354 VanDerWaalsContact O-CA 3.31Å; L258-V354 WeakPolarHBondContact O-CA 3.36Å; F260-V354 HydrophobicContact CD2-CG1 3.73Å; F260-V354 HydrophobicContact CE2-CG1 3.7Å; A351-V354 HydrophobicContact CB-CG2 4.27Å; V354-V356 HydrophobicContact CG1-CG2 4.41Å; V354-R381 HydrophobicContact CG2-CB 3.98Å; V354-A382 HydrophobicContact CB-CB 4.1Å; V354-A382 HydrophobicContact CG2-CB 3.68Å; V354-V392 PolarHBondContact N-O 2.92Å; V354-A393 CarbonylContact O-C 3.55Å; V354-A393 WeakPolarHBondContact O-CA 3.5Å; V354-V394 PolarHBondContact O-N 3.37Å
355I97.8Very high84.5Confident0 Ų018.9 Ų18.90%012%0.12CC..EExtended strand (participates in β ladder)trans-112.9118172.4-54-179.1000108.9L244 L247 I248 V257 L258 I259 F260 L353 K357 V394 M396L244-I355 HydrophobicContact CD2-CD1 4.23Å; L244-I355 HydrophobicContact CD2-CG2 4.13Å; L247-I355 HydrophobicContact CB-CD1 4.28Å; I248-I355 HydrophobicContact CG1-CD1 4Å; V257-I355 HydrophobicContact CG1-CD1 4.24Å; V257-I355 HydrophobicContact CG1-CG1 4.41Å; L258-I355 PolarHBondContact O-N 2.97Å; I259-I355 CarbonylContact C-O 3.6Å; I259-I355 WeakPolarHBondContact CA-O 3.32Å; I259-I355 HydrophobicContact CB-CB 4.5Å; I259-I355 HydrophobicContact CD1-CD1 4.38Å; I259-I355 HydrophobicContact CG1-CB 4.2Å; I259-I355 HydrophobicContact CG1-CD1 4.3Å; I259-I355 HydrophobicContact CG1-CG1 4.47Å; I259-I355 HydrophobicContact CG2-CB 4.21Å; I259-I355 HydrophobicContact CG2-CG2 4.41Å; F260-I355 PolarHBondContact N-O 3.42Å; L353-I355 HydrophobicContact CD1-CG1 4.17Å; L353-I355 HydrophobicContact CD2-CD1 4.02Å; L353-I355 HydrophobicContact CD2-CG1 4.1Å; L353-I355 HydrophobicContact CG-CD1 4.42Å; L353-I355 HydrophobicContact CG-CG1 3.94Å; I355-K357 PolarHBondContact O-N 3.17Å; I355-V394 CarbonylContact C-O 3.57Å; I355-V394 VanDerWaalsContact CA-O 3.31Å; I355-V394 WeakPolarHBondContact CA-O 3.5Å; I355-V394 HydrophobicContact CG1-CB 4.37Å; I355-M396 HydrophobicContact CG2-CG 4.1Å; I355-M396 HydrophobicContact CG2-SD 3.71Å
356V96.8Very high84.3Confident1 Ų123.9 Ų23.91%0.00614%0.143CC..EExtended strand (participates in β ladder)trans-90.4100.8168.7-1770000107.8F260 V354 N358 Y370 L375 M378 I379 V394 I395 M396F260-V356 HydrophobicContact CD2-CG2 4.39Å; V354-V356 HydrophobicContact CG1-CG2 4.41Å; V356-N358 PolarHBondContact O-N 3.2Å; V356-Y370 HydrophobicContact CG1-CD2 4.35Å; V356-Y370 HydrophobicContact CG1-CE2 4.08Å; V356-L375 HydrophobicContact CG1-CD2 4.22Å; V356-M378 HydrophobicContact CG1-SD 4.2Å; V356-M378 HydrophobicContact CG2-CB 4.13Å; V356-M378 HydrophobicContact CG2-SD 4.19Å; V356-I379 HydrophobicContact CG2-CG2 4.41Å; V356-V394 PolarHBondContact N-O 2.78Å; V356-I395 HydrophobicContact CB-CG1 4.36Å; V356-I395 HydrophobicContact CG2-CG1 4.5Å; V356-M396 PolarHBondContact O-N 3.05Å
357K95.1Very high84.9Confident3 Ų326.8 Ų26.81%0.01316%0.156CC..EExtended strand (participates in β ladder)trans-87.1104.1-176.3-176.4-164.8170.1-135.40109.4E237 L240 N241 L244 I259 F260 T270 I355 M396E237-K357 HydrophobicContact CG-CD 4.36Å; E237-K357 HydrophobicContact CG-CG 4.41Å; E237-K357 WeakPolarHBondContact O-CE 3.27Å; E237-K357 PolarHBondContact O-NZ 3.23Å; E237-K357 VanDerWaalsContact O-NZ 3.07Å; E237-K357 IonicContact OE1-NZ 3.11Å; E237-K357 PolarHBondContact OE1-NZ 2.98Å; L240-K357 HydrophobicContact CB-CG 4.18Å; L240-K357 HydrophobicContact CD1-CG 4.1Å; N241-K357 WeakPolarHBondContact OD1-CE 3.47Å; N241-K357 PolarHBondContact OD1-NZ 3.13Å; N241-K357 VanDerWaalsContact OD1-NZ 3.14Å; L244-K357 HydrophobicContact CD1-CD 4.45Å; I259-K357 HydrophobicContact CG2-CB 4.13Å; F260-K357 WeakPolarHBondContact O-CA 3.49Å; F260-K357 WeakPolarHBondContact O-CB 2.97Å; F260-K357 PolarHBondContact O-N 2.98Å; T270-K357 HydrophobicContact CG2-CD 4.34Å; T270-K357 WeakPolarHBondContact OG1-CE 3.49Å; T270-K357 PolarHBondContact OG1-NZ 2.8Å; I355-K357 PolarHBondContact O-N 3.17Å; K357-M396 HydrophobicContact CB-SD 4.46Å; K357-M396 HydrophobicContact CG-SD 4.34Å
358N93Very high85.5Confident0 Ų029.6 Ų29.60%017%0.17CC..  trans71.6148.2-169.5-164.930.9000112.4I233 E237 L240 T262 V356 M396I233-N358 WeakPolarHBondContact CD1-ND2 3.49Å; I233-N358 WeakPolarHBondContact CG1-ND2 3.24Å; E237-N358 HydrophobicContact CG-CB 4.07Å; L240-N358 HydrophobicContact CD1-CB 4.05Å; T262-N358 HydrophobicContact CG2-CB 3.82Å; V356-N358 PolarHBondContact O-N 3.2Å; N358-M396 CarbonylContact C-O 3.59Å; N358-M396 WeakPolarHBondContact CA-O 3.41Å; N358-M396 PolarHBondContact N-O 3.49Å
359T92.3Very high86Confident0 Ų029.2 Ų29.20%018%0.175CC..SBendtrans-112.611.1-175.453.10000113.3G369 Y370 I395 T397 Y405T359-G369 WeakPolarHBondContact O-CA 3.44Å; T359-Y370 WeakPolarHBondContact O-CD2 3.28Å; T359-Y370 PolarHBondContact O-N 3.02Å; T359-Y370 VanDerWaalsContact O-N 3.12Å; T359-I395 HydrophobicContact CG2-CG2 3.3Å; T359-T397 WeakPolarHBondContact OG1-CB 3.15Å; T359-T397 PolarHBondContact OG1-OG1 2.94Å; T359-Y405 WeakPolarHBondContact CB-OH 3.44Å; T359-Y405 HydrophobicContact CG2-CD1 4.32Å; T359-Y405 HydrophobicContact CG2-CD2 3.95Å; T359-Y405 HydrophobicContact CG2-CE1 4.21Å; T359-Y405 HydrophobicContact CG2-CE2 3.85Å; T359-Y405 HydrophobicContact CG2-CG 4.2Å; T359-Y405 PolarHBondContact O-OH 3.39Å; T359-Y405 WeakPolarHBondContact OG1-CE2 3.23Å
360E88.3Confident86.3Confident33 Ų3329.6 Ų29.615%0.15418%0.177CC..EExtended strand (participates in β ladder)trans-114.8134.2-180-64.3-177.9128.600108.2K227 I233 T262 L367 I368K227-E360 IonicContact NZ-OE2 3.62Å; I233-E360 HydrophobicContact CD1-CB 4.49Å; I233-E360 WeakPolarHBondContact CD1-OE2 3.32Å; I233-E360 HydrophobicContact CG1-CB 4.45Å; T262-E360 WeakPolarHBondContact CG2-O 3.38Å; E360-L367 HydrophobicContact CB-CD1 3.86Å; E360-L367 HydrophobicContact CB-CD2 4.01Å; E360-L367 HydrophobicContact CB-CG 3.81Å; E360-L367 VanDerWaalsContact CD-CD2 3.46Å; E360-L367 HydrophobicContact CG-CD2 4.24Å; E360-L367 HydrophobicContact CG-CG 4.39Å; E360-L367 WeakPolarHBondContact OE2-CD2 3.38Å; E360-I368 WeakPolarHBondContact CA-O 3.4Å
361Q84.3Confident86.2Confident27 Ų2731.2 Ų31.213%0.12619%0.188CC..EExtended strand (participates in β ladder)trans-121.5153.6178.153.3175.5-9.400110.2V363 L367 I368 Y370Q361-V363 HydrophobicContact CG-CG2 3.79Å; Q361-L367 WeakPolarHBondContact O-CA 3.25Å; Q361-I368 VanDerWaalsContact CG-O 3.28Å; Q361-I368 WeakPolarHBondContact CG-O 3.44Å; Q361-I368 PolarHBondContact N-O 3.13Å; Q361-I368 PolarHBondContact O-N 3.41Å; Q361-Y370 HydrophobicContact CB-CE1 3.83Å; Q361-Y370 HydrophobicContact CG-CD1 4.09Å; Q361-Y370 HydrophobicContact CG-CE1 3.88Å
362V77.8Confident85.8Confident68 Ų6831.6 Ų31.641%0.41219%0.191SC..EExtended strand (participates in β ladder)trans-93.6102.6175.8-177.20000108.4F234 E366 L367F234-V362 HydrophobicContact CE1-CG2 4.4Å; F234-V362 HydrophobicContact CZ-CG2 4.2Å; V362-E366 CarbonylContact C-O 3.57Å; V362-E366 VanDerWaalsContact CA-O 3.29Å; V362-E366 WeakPolarHBondContact CA-O 3.38Å; V362-L367 HydrophobicContact CG2-CD1 4.05Å
363V72.7Confident85.1Confident39 Ų3932.8 Ų32.824%0.23620%0.198CC..EExtended strand (participates in β ladder)trans-111.5120175.5-179.20000106Q361 G365 E366 I368Q361-V363 HydrophobicContact CG-CG2 3.79Å; V363-G365 PolarHBondContact O-N 3.02Å; V363-G365 VanDerWaalsContact O-N 3.09Å; V363-E366 PolarHBondContact N-O 2.88Å; V363-E366 CarbonylContact O-C 3.42Å; V363-E366 WeakPolarHBondContact O-CA 3.45Å; V363-E366 WeakPolarHBondContact O-CB 3.48Å; V363-E366 PolarHBondContact O-N 3.47Å; V363-I368 HydrophobicContact CB-CD1 3.79Å; V363-I368 HydrophobicContact CB-CG1 4.21Å; V363-I368 HydrophobicContact CG1-CD1 4.12Å
364D64.2Low84.5Confident51 Ų5135.9 Ų35.927%0.27321%0.213SC..THydrogen-bonded Turntrans57.622.1-175-47.2-45.1000118.1E366 R551 S1322D364-E366 PolarHBondContact O-N 2.66Å; D364-R551 IonicContact OD1-CZ 2.66Å; D364-R551 IonicContact OD1-NH2 3.61Å; D364-R551 PolarHBondContact OD1-NH2 2.9Å; D364-S1322 WeakPolarHBondContact OD1-CB 3.38Å; D364-S1322 PolarHBondContact OD1-OG 3.49Å; D364-S1322 WeakPolarHBondContact OD2-CB 3.18Å; D364-S1322 PolarHBondContact OD2-OG 3.06Å
365G68.3Low84.2Confident62 Ų6235.9 Ų35.964%0.63921%0.213SC*.THydrogen-bonded Turntrans81.6-7.1-17400000112.7V363V363-G365 PolarHBondContact O-N 3.02Å; V363-G365 VanDerWaalsContact O-N 3.09Å
366E73.3Confident83.6Confident139 Ų13936.3 Ų36.365%0.6522%0.215SC*.EExtended strand (participates in β ladder)trans-87.2151.5166.2-61-159.7157.100110.9V362 V363 D364 I368V362-E366 CarbonylContact C-O 3.57Å; V362-E366 VanDerWaalsContact CA-O 3.29Å; V362-E366 WeakPolarHBondContact CA-O 3.38Å; V363-E366 PolarHBondContact N-O 2.88Å; V363-E366 CarbonylContact O-C 3.42Å; V363-E366 WeakPolarHBondContact O-CA 3.45Å; V363-E366 WeakPolarHBondContact O-CB 3.48Å; V363-E366 PolarHBondContact O-N 3.47Å; D364-E366 PolarHBondContact O-N 2.66Å; E366-I368 HydrophobicContact CB-CG1 4.39Å
367L80.2Confident83.1Confident71 Ų7136.6 Ų36.637%0.37222%0.217SC..EExtended strand (participates in β ladder)trans-97110178.5-166.876.5000108.5I233 E360 Q361 V362I233-L367 HydrophobicContact CB-CD1 4.46Å; I233-L367 HydrophobicContact CB-CD2 4.14Å; I233-L367 HydrophobicContact CG1-CD1 4.12Å; I233-L367 HydrophobicContact CG1-CD2 4.04Å; I233-L367 HydrophobicContact CG2-CD1 4.03Å; I233-L367 HydrophobicContact CG2-CD2 4.37Å; E360-L367 HydrophobicContact CB-CD1 3.86Å; E360-L367 HydrophobicContact CB-CD2 4.01Å; E360-L367 HydrophobicContact CB-CG 3.81Å; E360-L367 VanDerWaalsContact CD-CD2 3.46Å; E360-L367 HydrophobicContact CG-CD2 4.24Å; E360-L367 HydrophobicContact CG-CG 4.39Å; E360-L367 WeakPolarHBondContact OE2-CD2 3.38Å; Q361-L367 WeakPolarHBondContact O-CA 3.25Å; V362-L367 HydrophobicContact CG2-CD1 4.05Å
368I86Confident82.9Confident73 Ų7336.6 Ų36.637%0.37422%0.217SC..EExtended strand (participates in β ladder)trans-116.8143.5-176.5-49-173.8000109.2E360 Q361 V363 E366E360-I368 WeakPolarHBondContact CA-O 3.4Å; Q361-I368 VanDerWaalsContact CG-O 3.28Å; Q361-I368 WeakPolarHBondContact CG-O 3.44Å; Q361-I368 PolarHBondContact N-O 3.13Å; Q361-I368 PolarHBondContact O-N 3.41Å; V363-I368 HydrophobicContact CB-CD1 3.79Å; V363-I368 HydrophobicContact CB-CG1 4.21Å; V363-I368 HydrophobicContact CG1-CD1 4.12Å; E366-I368 HydrophobicContact CB-CG1 4.39Å
369G88.7Confident82.8Confident32 Ų3236.7 Ų36.733%0.3322%0.217SC..EExtended strand (participates in β ladder)trans-70156.3171.800000112.3T359 Y405T359-G369 WeakPolarHBondContact O-CA 3.44Å; G369-Y405 WeakPolarHBondContact CA-OH 3.38Å
370Y88Confident82.6Confident10 Ų1036.7 Ų36.74%0.03922%0.217CC..PPolyproline II helixtrans-70.9138.4170.1-66.6-62.4000111.3V356 T359 Q361 Q374 L375 M378V356-Y370 HydrophobicContact CG1-CD2 4.35Å; V356-Y370 HydrophobicContact CG1-CE2 4.08Å; T359-Y370 WeakPolarHBondContact O-CD2 3.28Å; T359-Y370 PolarHBondContact O-N 3.02Å; T359-Y370 VanDerWaalsContact O-N 3.12Å; Q361-Y370 HydrophobicContact CB-CE1 3.83Å; Q361-Y370 HydrophobicContact CG-CD1 4.09Å; Q361-Y370 HydrophobicContact CG-CE1 3.88Å; Y370-Q374 HydrophobicContact CD1-CB 4.26Å; Y370-L375 HydrophobicContact CD2-CD2 4.01Å; Y370-L375 HydrophobicContact CG-CD2 4.18Å; Y370-M378 HydrophobicContact CD1-CE 4.08Å; Y370-M378 HydrophobicContact CE1-CE 3.55Å; Y370-M378 HydrophobicContact CE2-CE 4.47Å
371S83.8Confident82.6Confident45 Ų4535.9 Ų35.932%0.31521%0.213SC..PPolyproline II helixtrans-71.9165.8171.168.40000112.3T373 Q374 L375S371-T373 PolarHBondContact O-N 3Å; S371-Q374 PolarHBondContact O-N 3.47Å; S371-Q374 WeakPolarHBondContact OG-CG 3.46Å; S371-Q374 PolarHBondContact OG-N 3.19Å; S371-L375 PolarHBondContact O-N 3.1Å
372S83Confident83Confident9 Ų934.6 Ų34.66%0.06321%0.207CC..Hα-helixtrans-57.8-38.6176.168.40000111.2L375 S376 D413S372-L375 PolarHBondContact O-N 3.1Å; S372-S376 VanDerWaalsContact O-CB 3.25Å; S372-S376 WeakPolarHBondContact O-CB 3.23Å; S372-S376 PolarHBondContact O-N 3.4Å; S372-D413 WeakPolarHBondContact CB-OD2 3.24Å; S372-D413 PolarHBondContact N-OD2 3.2Å; S372-D413 VanDerWaalsContact N-OD2 3.15Å; S372-D413 PolarHBondContact OG-N 2.8Å; S372-D413 PolarHBondContact OG-OD2 3.49Å
373T80.7Confident83.3Confident26 Ų2631.4 Ų31.416%0.1619%0.188CC..Hα-helixtrans-66.9-45.3179.9-43.30000112.4H154 S371 L375 S376 Q377H154-T373 WeakPolarHBondContact CD2-CG2 3.34Å; H154-T373 VanDerWaalsContact NE2-CG2 3.25Å; H154-T373 WeakPolarHBondContact NE2-CG2 3.3Å; S371-T373 PolarHBondContact O-N 3Å; T373-L375 VanDerWaalsContact C-N 3.34Å; T373-L375 PolarHBondContact O-N 3.28Å; T373-S376 WeakPolarHBondContact O-CB 3.42Å; T373-S376 PolarHBondContact O-N 3.4Å; T373-Q377 WeakPolarHBondContact O-CG 3.3Å; T373-Q377 PolarHBondContact O-N 3.42Å
374Q83.8Confident83.8Confident65 Ų6531.7 Ų31.730%0.30418%0.184SC..Hα-helixtrans-62.1-43.4176.6-75175.5-28.300111.2Y370 S371 Q377 M378Y370-Q374 HydrophobicContact CD1-CB 4.26Å; S371-Q374 PolarHBondContact O-N 3.47Å; S371-Q374 WeakPolarHBondContact OG-CG 3.46Å; S371-Q374 PolarHBondContact OG-N 3.19Å; Q374-Q377 PolarHBondContact O-N 3.3Å; Q374-M378 WeakPolarHBondContact O-CG 3.38Å; Q374-M378 PolarHBondContact O-N 3.45Å; Q374-M378 VanDerWaalsContact O-N 3.1Å
375L89.3Confident84.3Confident0 Ų032 Ų320%019%0.19CC..Hα-helixtrans-63.4-44.7174.4-70.1177.3000111.6V356 Y370 S371 S372 T373 Q377 M378 I379 I395 Y405 L408V356-L375 HydrophobicContact CG1-CD2 4.22Å; Y370-L375 HydrophobicContact CD2-CD2 4.01Å; Y370-L375 HydrophobicContact CG-CD2 4.18Å; S371-L375 PolarHBondContact O-N 3.1Å; S372-L375 PolarHBondContact O-N 3.1Å; T373-L375 VanDerWaalsContact C-N 3.34Å; T373-L375 PolarHBondContact O-N 3.28Å; L375-Q377 VanDerWaalsContact C-N 3.28Å; L375-Q377 PolarHBondContact O-N 3.29Å; L375-M378 PolarHBondContact O-N 3.35Å; L375-M378 VanDerWaalsContact O-N 3.14Å; L375-I379 VanDerWaalsContact O-CG1 3.26Å; L375-I379 WeakPolarHBondContact O-CG1 3.36Å; L375-I379 WeakPolarHBondContact O-CG2 3.31Å; L375-I379 PolarHBondContact O-N 3.21Å; L375-I395 HydrophobicContact CD1-CD1 4.26Å; L375-I395 HydrophobicContact CD2-CD1 4.16Å; L375-Y405 HydrophobicContact CD1-CD1 3.56Å; L375-Y405 HydrophobicContact CD1-CE1 3.85Å; L375-L408 HydrophobicContact CD1-CD2 3.99Å
376S86.4Confident84.7Confident8 Ų835.9 Ų35.96%0.05619%0.191CC..Hα-helixtrans-57.7-38.4177.4-174.60000112.5T42 S186 S372 T373 G380T42-S376 PolarHBondContact OG1-O 3.17Å; S186-S376 PolarHBondContact OG-OG 2.89Å; S372-S376 VanDerWaalsContact O-CB 3.25Å; S372-S376 WeakPolarHBondContact O-CB 3.23Å; S372-S376 PolarHBondContact O-N 3.4Å; T373-S376 WeakPolarHBondContact O-CB 3.42Å; T373-S376 PolarHBondContact O-N 3.4Å; S376-G380 VanDerWaalsContact O-CA 3.27Å; S376-G380 WeakPolarHBondContact O-CA 3.22Å; S376-G380 PolarHBondContact O-N 3.19Å
377Q86.7Confident85Confident7 Ų733.3 Ų33.33%0.03318%0.178CC..Hα-helixtrans-66.6-46.5173.5-71.4-68.5-8.400112.2E152 M345 T373 Q374 L375 G380E152-Q377 PolarHBondContact OE1-NE2 3.12Å; M345-Q377 HydrophobicContact CG-CB 4.33Å; M345-Q377 HydrophobicContact CG-CG 4.23Å; T373-Q377 WeakPolarHBondContact O-CG 3.3Å; T373-Q377 PolarHBondContact O-N 3.42Å; Q374-Q377 PolarHBondContact O-N 3.3Å; L375-Q377 VanDerWaalsContact C-N 3.28Å; L375-Q377 PolarHBondContact O-N 3.29Å; Q377-G380 PolarHBondContact O-N 2.98Å
378M90.6Very high85.2Confident4 Ų430.4 Ų30.42%0.0216%0.162CC..Hα-helixtrans-64.4-55.5178.7-70.3-176.3-171.200112.2F260 A344 V356 Y370 Q374 L375 G380 R381F260-M378 HydrophobicContact CB-SD 4.1Å; F260-M378 HydrophobicContact CD1-CG 4.23Å; F260-M378 HydrophobicContact CD1-SD 4.25Å; F260-M378 HydrophobicContact CD2-CB 3.85Å; F260-M378 HydrophobicContact CD2-CG 4.01Å; F260-M378 HydrophobicContact CD2-SD 4.21Å; F260-M378 HydrophobicContact CE1-CG 4.23Å; F260-M378 HydrophobicContact CE2-CB 3.71Å; F260-M378 HydrophobicContact CE2-CG 4.01Å; F260-M378 HydrophobicContact CG-CB 4.45Å; F260-M378 HydrophobicContact CG-CG 4.12Å; F260-M378 HydrophobicContact CG-SD 3.92Å; F260-M378 HydrophobicContact CZ-CB 4.22Å; F260-M378 HydrophobicContact CZ-CG 4.13Å; A344-M378 HydrophobicContact CB-CE 4.49Å; A344-M378 HydrophobicContact CB-CG 3.76Å; V356-M378 HydrophobicContact CG1-SD 4.2Å; V356-M378 HydrophobicContact CG2-CB 4.13Å; V356-M378 HydrophobicContact CG2-SD 4.19Å; Y370-M378 HydrophobicContact CD1-CE 4.08Å; Y370-M378 HydrophobicContact CE1-CE 3.55Å; Y370-M378 HydrophobicContact CE2-CE 4.47Å; Q374-M378 WeakPolarHBondContact O-CG 3.38Å; Q374-M378 PolarHBondContact O-N 3.45Å; Q374-M378 VanDerWaalsContact O-N 3.1Å; L375-M378 PolarHBondContact O-N 3.35Å; L375-M378 VanDerWaalsContact O-N 3.14Å; M378-G380 PolarHBondContact O-N 2.8Å; M378-R381 WeakPolarHBondContact O-CB 3.34Å; M378-R381 WeakPolarHBondContact O-CG 3.27Å; M378-R381 PolarHBondContact O-N 3.37Å
379I91Very high85.2Confident2 Ų233.9 Ų33.91%0.0118%0.182CC..Hα-helixtrans-66.1-26.5179.974.1-172.3000111.3L218 K220 V356 L375 R381 A382 A393 I395 L409L218-I379 HydrophobicContact CD2-CB 4.13Å; L218-I379 HydrophobicContact CD2-CD1 4.13Å; L218-I379 HydrophobicContact CD2-CG1 3.83Å; K220-I379 HydrophobicContact CD-CD1 4.31Å; V356-I379 HydrophobicContact CG2-CG2 4.41Å; L375-I379 VanDerWaalsContact O-CG1 3.26Å; L375-I379 WeakPolarHBondContact O-CG1 3.36Å; L375-I379 WeakPolarHBondContact O-CG2 3.31Å; L375-I379 PolarHBondContact O-N 3.21Å; I379-R381 PolarHBondContact O-N 3.32Å; I379-R381 VanDerWaalsContact O-N 3.11Å; I379-A382 WeakPolarHBondContact O-CB 3.37Å; I379-A382 PolarHBondContact O-N 3.31Å; I379-A393 HydrophobicContact CB-CB 3.65Å; I379-A393 HydrophobicContact CG2-CB 3.72Å; I379-I395 HydrophobicContact CG2-CD1 4.47Å; I379-L409 HydrophobicContact CD1-CD2 3.59Å
380G87.7Confident85.3Confident0 Ų037.4 Ų37.40%019%0.19CC..THydrogen-bonded Turntrans-61.9-12.5175.200000115.4T42 R214 S376 Q377 M378 A382 R384T42-G380 WeakPolarHBondContact OG1-CA 3.47Å; R214-G380 PolarHBondContact NH2-O 3.15Å; S376-G380 VanDerWaalsContact O-CA 3.27Å; S376-G380 WeakPolarHBondContact O-CA 3.22Å; S376-G380 PolarHBondContact O-N 3.19Å; Q377-G380 PolarHBondContact O-N 2.98Å; M378-G380 PolarHBondContact O-N 2.8Å; G380-A382 VanDerWaalsContact C-N 3.34Å; G380-R384 PolarHBondContact O-NE 2.79Å; G380-R384 PolarHBondContact O-NH2 3.22Å
381R89.3Confident85.6Confident16 Ų1637 Ų376%0.0619%0.189CC..THydrogen-bonded Turntrans-77.2-20.2172.2-58-68.3153.5-161.9-12.3112.6L258 F260 L343 A344 V347 V354 M378 I379L258-R381 HydrophobicContact CD2-CB 4.08Å; L258-R381 HydrophobicContact CD2-CG 4.33Å; F260-R381 HydrophobicContact CZ-CG 4.32Å; L343-R381 WeakPolarHBondContact O-CD 3.42Å; L343-R381 PolarHBondContact O-NE 3.25Å; A344-R381 PolarHBondContact O-NE 3.11Å; A344-R381 PolarHBondContact O-NH2 3.2Å; V347-R381 PolarHBondContact O-NH1 3.03Å; V354-R381 HydrophobicContact CG2-CB 3.98Å; M378-R381 WeakPolarHBondContact O-CB 3.34Å; M378-R381 WeakPolarHBondContact O-CG 3.27Å; M378-R381 PolarHBondContact O-N 3.37Å; I379-R381 PolarHBondContact O-N 3.32Å; I379-R381 VanDerWaalsContact O-N 3.11Å
382A91.7Very high86.1Confident0 Ų035 Ų350%018%0.175CC..BIsolated β-bridgetrans-76.5138.3178.900000112.3R214 L218 A351 V354 I379 G380R214-A382 PolarHBondContact NH2-O 2.61Å; L218-A382 HydrophobicContact CD1-CB 3.62Å; A351-A382 CarbonylContact O-C 3.53Å; A351-A382 VanDerWaalsContact O-CA 3.29Å; A351-A382 WeakPolarHBondContact O-CA 3.41Å; V354-A382 HydrophobicContact CB-CB 4.1Å; V354-A382 HydrophobicContact CG2-CB 3.68Å; I379-A382 WeakPolarHBondContact O-CB 3.37Å; I379-A382 PolarHBondContact O-N 3.31Å; G380-A382 VanDerWaalsContact C-N 3.34Å
383G85Confident86.7Confident1 Ų134.7 Ų34.71%0.0117%0.172CC..SBendtrans63.561.6168.800000112.9S216 A351 G391S216-G383 WeakPolarHBondContact CB-O 3.38Å; S216-G383 PolarHBondContact OG-O 3.39Å; A351-G383 PolarHBondContact O-N 3.12Å; G383-G391 VanDerWaalsContact CA-CA 3.47Å
384R81.2Confident87.5Confident44 Ų4433.4 Ų33.417%0.16617%0.165CC..  trans-82.7136.2175.9-73.3-76.8172.9147.50.9109.6G380 Q386 F387 D388G380-R384 PolarHBondContact O-NE 2.79Å; G380-R384 PolarHBondContact O-NH2 3.22Å; R384-Q386 PolarHBondContact O-N 3.15Å; R384-F387 HydrophobicContact CB-CD2 3.88Å; R384-F387 PolarHBondContact O-N 2.94Å; R384-D388 PolarHBondContact O-N 3.09Å
385P76.5Confident88.2Confident59 Ų5930.4 Ų30.438%0.38315%0.151SC..THydrogen-bonded Turntrans-56.6-25.3-173.9-27.132.9000115.8T215 S216 F387T215-P385 HydrophobicContact CG2-CB 4.04Å; T215-P385 HydrophobicContact CG2-CG 3.64Å; S216-P385 WeakPolarHBondContact OG-CA 3.46Å; S216-P385 WeakPolarHBondContact OG-CG 3.42Å; P385-F387 PolarHBondContact O-N 2.78Å
386Q76.5Confident88.5Confident143 Ų14330.4 Ų30.467%0.66815%0.151SC*.THydrogen-bonded Turntrans-73.9-16.5179-62.1171.46.800112.9N348 R384N348-Q386 PolarHBondContact ND2-OE1 2.98Å; R384-Q386 PolarHBondContact O-N 3.15Å
387F79.7Confident89Confident85 Ų8530 Ų3037%0.37315%0.148SC..THydrogen-bonded Turntrans-128.1-27.3-172.3-52.1-64.4000112.7P350 R384 P385P350-F387 HydrophobicContact CB-CB 3.93Å; P350-F387 HydrophobicContact CB-CD1 3.62Å; P350-F387 HydrophobicContact CB-CD2 3.75Å; P350-F387 HydrophobicContact CB-CE1 4.01Å; P350-F387 HydrophobicContact CB-CE2 4.14Å; P350-F387 HydrophobicContact CB-CG 3.48Å; P350-F387 VanDerWaalsContact CB-CG 3.48Å; P350-F387 HydrophobicContact CB-CZ 4.26Å; R384-F387 HydrophobicContact CB-CD2 3.88Å; R384-F387 PolarHBondContact O-N 2.94Å; P385-F387 PolarHBondContact O-N 2.78Å
388D83.7Confident89.3Confident9 Ų929.8 Ų29.85%0.04815%0.147CC..  trans-150.1146.4-171.1-84.7-53.6000113.6S216 K255 H352 R384 E390S216-D388 PolarHBondContact OG-O 3.42Å; K255-D388 WeakPolarHBondContact CD-OD1 3.3Å; K255-D388 WeakPolarHBondContact CE-OD1 3.4Å; K255-D388 IonicContact NZ-OD1 3.88Å; K255-D388 PolarHBondContact NZ-OD1 2.86Å; H352-D388 VanDerWaalsContact CA-OD2 3.27Å; H352-D388 WeakPolarHBondContact CA-OD2 3.5Å; H352-D388 VanDerWaalsContact CB-OD2 3.27Å; H352-D388 WeakPolarHBondContact CB-OD2 3.45Å; H352-D388 IonicContact CG-OD2 2.65Å; H352-D388 IonicContact ND1-OD1 3.84Å; H352-D388 PolarHBondContact ND1-OD1 3.46Å; H352-D388 IonicContact ND1-OD2 3.8Å; R384-D388 PolarHBondContact O-N 3.09Å; D388-E390 WeakPolarHBondContact CB-O 3.43Å
389N86.7Confident89.5Confident146 Ų14632.1 Ų32.178%0.78117%0.167SC*.SBendtrans-82.3-22.7173.4-62.6-18.1000112.8P217P217-N389 WeakPolarHBondContact CD-O 3.32Å
390E90.9Very high89.6Confident107 Ų10738.1 Ų38.150%0.520%0.199SC..  trans-146.5154.1178.968.3178.3178.700110P217 H352 D388P217-E390 WeakPolarHBondContact O-CA 3.49Å; H352-E390 PolarHBondContact CE1-O 2.95Å; H352-E390 PolarHBondContact ND1-O 3.46Å; H352-E390 VanDerWaalsContact ND1-O 3.15Å; D388-E390 WeakPolarHBondContact CB-O 3.43Å
391G92.7Very high89.8Confident2 Ų240.1 Ų40.12%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-120.8153.1173.700000111.8P217 L218 R219 G383P217-G391 PolarHBondContact O-N 3.07Å; L218-G391 WeakPolarHBondContact CA-O 3.47Å; R219-G391 PolarHBondContact N-O 2.88Å; G383-G391 VanDerWaalsContact CA-CA 3.47Å
392V95.8Very high90.1Very high3 Ų344 Ų442%0.01823%0.227CC..EExtended strand (participates in β ladder)trans-122.6128.7171.9-172.30000109.4R219 Y251 H352 L353 V354 V394R219-V392 HydrophobicContact CB-CG2 4.5Å; R219-V392 WeakPolarHBondContact O-CA 3.21Å; Y251-V392 HydrophobicContact CD1-CG1 3.92Å; Y251-V392 HydrophobicContact CG-CG1 4.26Å; H352-V392 PolarHBondContact O-N 3.39Å; L353-V392 WeakPolarHBondContact CA-O 3.5Å; L353-V392 HydrophobicContact CD1-CB 4.05Å; L353-V392 HydrophobicContact CD1-CG1 4.02Å; V354-V392 PolarHBondContact N-O 2.92Å; V392-V394 HydrophobicContact CG1-CG2 4.26Å
393A95.6Very high90.2Very high1 Ų147.7 Ų47.71%0.00826%0.257CS..EExtended strand (participates in β ladder)trans-117.6124.7173.500000110.2L218 R219 V221 V354 I379L218-A393 HydrophobicContact CD1-CB 3.98Å; L218-A393 HydrophobicContact CG-CB 4.47Å; R219-A393 PolarHBondContact O-N 2.93Å; V221-A393 PolarHBondContact N-O 3.4Å; V354-A393 CarbonylContact O-C 3.55Å; V354-A393 WeakPolarHBondContact O-CA 3.5Å; I379-A393 HydrophobicContact CB-CB 3.65Å; I379-A393 HydrophobicContact CG2-CB 3.72Å
394V97.4Very high90.6Very high0 Ų052.6 Ų52.60%028%0.279CS..EExtended strand (participates in β ladder)trans-115118.6179178.30000109.5V221 L247 Y251 L353 V354 I355 V356 V392V221-V394 HydrophobicContact CB-CG2 4.47Å; V221-V394 CarbonylContact O-C 3.52Å; V221-V394 WeakPolarHBondContact O-CA 3.46Å; L247-V394 HydrophobicContact CD1-CG1 4.2Å; L247-V394 HydrophobicContact CD2-CG1 4.32Å; Y251-V394 HydrophobicContact CD1-CG2 4.44Å; Y251-V394 HydrophobicContact CD2-CG2 3.71Å; Y251-V394 HydrophobicContact CE2-CG2 4.12Å; Y251-V394 HydrophobicContact CG-CG2 3.92Å; L353-V394 HydrophobicContact CD1-CB 4.47Å; L353-V394 HydrophobicContact CD1-CG2 3.79Å; V354-V394 PolarHBondContact O-N 3.37Å; I355-V394 CarbonylContact C-O 3.57Å; I355-V394 VanDerWaalsContact CA-O 3.31Å; I355-V394 WeakPolarHBondContact CA-O 3.5Å; I355-V394 HydrophobicContact CG1-CB 4.37Å; V356-V394 PolarHBondContact N-O 2.78Å; V392-V394 HydrophobicContact CG1-CG2 4.26Å
395I97Very high91.1Very high1 Ų150.7 Ų50.71%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-101.9122.4175.3-57.3-170.4000109.1V221 V222 H223 V356 T359 L375 I379 L409V221-I395 PolarHBondContact O-N 2.84Å; V222-I395 HydrophobicContact CG1-CB 4.45Å; V222-I395 HydrophobicContact CG2-CB 4.38Å; H223-I395 PolarHBondContact N-O 2.84Å; V356-I395 HydrophobicContact CB-CG1 4.36Å; V356-I395 HydrophobicContact CG2-CG1 4.5Å; T359-I395 HydrophobicContact CG2-CG2 3.3Å; L375-I395 HydrophobicContact CD1-CD1 4.26Å; L375-I395 HydrophobicContact CD2-CD1 4.16Å; I379-I395 HydrophobicContact CG2-CD1 4.47Å; I395-L409 HydrophobicContact CD1-CD1 3.74Å; I395-L409 HydrophobicContact CD1-CD2 3.85Å; I395-L409 HydrophobicContact CD1-CG 4.08Å
396M97.4Very high91.9Very high0 Ų051.3 Ų51.30%028%0.275CS..EExtended strand (participates in β ladder)trans-100.4114.4174.3-56177.775.700108.6Y225 L240 R243 L244 L247 I355 V356 K357 N358Y225-M396 HydrophobicContact CD2-CB 4.26Å; Y225-M396 HydrophobicContact CD2-CE 4.37Å; Y225-M396 HydrophobicContact CE2-CB 3.77Å; Y225-M396 HydrophobicContact CE2-CE 3.54Å; Y225-M396 HydrophobicContact CE2-CG 3.93Å; L240-M396 HydrophobicContact CB-CE 3.73Å; L240-M396 HydrophobicContact CD1-CB 4.14Å; L240-M396 HydrophobicContact CD1-CE 4.41Å; L240-M396 HydrophobicContact CD2-CE 4.05Å; L240-M396 HydrophobicContact CG-CE 4.26Å; R243-M396 HydrophobicContact CB-CE 3.87Å; L244-M396 HydrophobicContact CD2-CE 4.41Å; L244-M396 HydrophobicContact CD2-SD 3.77Å; L247-M396 HydrophobicContact CD1-CE 3.7Å; L247-M396 HydrophobicContact CD1-CG 4Å; L247-M396 HydrophobicContact CD1-SD 3.62Å; I355-M396 HydrophobicContact CG2-CG 4.1Å; I355-M396 HydrophobicContact CG2-SD 3.71Å; V356-M396 PolarHBondContact O-N 3.05Å; K357-M396 HydrophobicContact CB-SD 4.46Å; K357-M396 HydrophobicContact CG-SD 4.34Å; N358-M396 CarbonylContact C-O 3.59Å; N358-M396 WeakPolarHBondContact CA-O 3.41Å; N358-M396 PolarHBondContact N-O 3.49Å
397T95.3Very high92.6Very high0 Ų050 Ų500%027%0.267CS..EExtended strand (participates in β ladder)trans-133176.6-178.3-169.30000111V222 H223 G224 Y225 T359 L401 K402 Y405V222-T397 HydrophobicContact CG1-CG2 3.81Å; H223-T397 PolarHBondContact O-N 3.32Å; G224-T397 CarbonylContact C-O 3.56Å; G224-T397 WeakPolarHBondContact CA-O 3.17Å; Y225-T397 PolarHBondContact N-O 3.33Å; T359-T397 WeakPolarHBondContact OG1-CB 3.15Å; T359-T397 PolarHBondContact OG1-OG1 2.94Å; T397-L401 WeakPolarHBondContact OG1-CB 3.09Å; T397-K402 HydrophobicContact CG2-CB 4.33Å; T397-Y405 HydrophobicContact CG2-CD2 4.09Å; T397-Y405 WeakPolarHBondContact OG1-CD2 3.4Å; T397-Y405 WeakPolarHBondContact OG1-CE2 3.48Å
398T94Very high92.9Very high3 Ų346.9 Ų46.92%0.01825%0.254CS..EExtended strand (participates in β ladder)trans-73150.8172.659.20000110.6Y225 K227 F236 N400 L401 K402Y225-T398 CarbonylContact O-C 3.44Å; Y225-T398 VanDerWaalsContact O-CA 3.32Å; Y225-T398 WeakPolarHBondContact O-CA 3.3Å; K227-T398 HydrophobicContact CB-CG2 4.09Å; K227-T398 HydrophobicContact CD-CG2 4.04Å; F236-T398 HydrophobicContact CD1-CG2 4.41Å; F236-T398 HydrophobicContact CE1-CG2 3.76Å; F236-T398 HydrophobicContact CE2-CG2 4.32Å; F236-T398 HydrophobicContact CZ-CG2 3.71Å; T398-N400 WeakPolarHBondContact CB-OD1 3.35Å; T398-N400 PolarHBondContact O-N 3.22Å; T398-N400 VanDerWaalsContact O-N 3.15Å; T398-N400 PolarHBondContact OG1-OD1 3.36Å; T398-L401 PolarHBondContact O-N 2.84Å; T398-L401 WeakPolarHBondContact OG1-CD1 3.4Å; T398-L401 WeakPolarHBondContact OG1-CG 3.48Å; T398-K402 PolarHBondContact O-N 3.24Å
399A94.1Very high92.9Very high52 Ų5247.6 Ų47.643%0.4326%0.258SS..THydrogen-bonded Turntrans-56.2-35.4-175.600000113.4Y225Y225-A399 PolarHBondContact O-N 3.47Å
400N92.8Very high92.6Very high129 Ų12945.2 Ų45.269%0.6925%0.252SS*.THydrogen-bonded Turntrans-71-26.1176.862.4-46.9000113.8T398T398-N400 WeakPolarHBondContact CB-OD1 3.35Å; T398-N400 PolarHBondContact O-N 3.22Å; T398-N400 VanDerWaalsContact O-N 3.15Å; T398-N400 PolarHBondContact OG1-OD1 3.36Å
401L93.2Very high91.7Very high42 Ų4244.6 Ų44.622%0.2225%0.25CC..THydrogen-bonded Turntrans-96.2-4.5-179.2-64.1177.8000113.3T397 T398 A403 H404 Y405T397-L401 WeakPolarHBondContact OG1-CB 3.09Å; T398-L401 PolarHBondContact O-N 2.84Å; T398-L401 WeakPolarHBondContact OG1-CD1 3.4Å; T398-L401 WeakPolarHBondContact OG1-CG 3.48Å; L401-A403 VanDerWaalsContact C-N 3.33Å; L401-A403 PolarHBondContact O-N 2.89Å; L401-H404 WeakPolarHBondContact O-CB 3.33Å; L401-H404 PolarHBondContact O-N 3.39Å; L401-H404 VanDerWaalsContact O-N 3.15Å; L401-Y405 HydrophobicContact CB-CD2 3.83Å; L401-Y405 HydrophobicContact CB-CE2 3.77Å; L401-Y405 HydrophobicContact CD1-CE2 3.99Å; L401-Y405 HydrophobicContact CG-CE2 4.41Å; L401-Y405 WeakPolarHBondContact O-CD2 3.34Å; L401-Y405 PolarHBondContact O-N 3.46Å
402K95Very high90.7Very high98 Ų9847.4 Ų47.443%0.42627%0.268SS..Hα-helixtrans-53.2-48.1179.2179.2179.1176177.60112.3V222 T397 T398 T406V222-K402 HydrophobicContact CG1-CG 4.02Å; V222-K402 VanDerWaalsContact O-CE 3.28Å; V222-K402 WeakPolarHBondContact O-CE 3.49Å; T397-K402 HydrophobicContact CG2-CB 4.33Å; T398-K402 PolarHBondContact O-N 3.24Å; K402-T406 WeakPolarHBondContact O-CB 3.44Å; K402-T406 PolarHBondContact O-N 2.89Å; K402-T406 PolarHBondContact O-OG1 3.46Å
403A94.3Very high89.5Confident76 Ų7650.2 Ų50.263%0.62828%0.283SS*.Hα-helixtrans-64.8-42.2-179.900000111.7L401 T406 K407L401-A403 VanDerWaalsContact C-N 3.33Å; L401-A403 PolarHBondContact O-N 2.89Å; A403-T406 PolarHBondContact O-N 3.35Å; A403-K407 WeakPolarHBondContact O-CB 3.34Å; A403-K407 PolarHBondContact O-N 2.75Å
404H92.7Very high88.8Confident104 Ų10455.4 Ų55.448%0.48131%0.307SS..Hα-helixtrans-57.5-54.2176.4175.692.7000111.4L401 T406 K407 L408L401-H404 WeakPolarHBondContact O-CB 3.33Å; L401-H404 PolarHBondContact O-N 3.39Å; L401-H404 VanDerWaalsContact O-N 3.15Å; H404-T406 VanDerWaalsContact C-N 3.33Å; H404-T406 PolarHBondContact O-N 2.94Å; H404-K407 PolarHBondContact O-N 3.17Å; H404-L408 WeakPolarHBondContact O-CB 3.37Å; H404-L408 PolarHBondContact O-N 3.46Å
405Y92.5Very high88.4Confident5 Ų556 Ų562%0.0231%0.311CS..Hα-helixtrans-70.8-26.8-179.4-73.5-67.7000113.7T359 G369 L375 T397 L401 K407 L408 L409T359-Y405 WeakPolarHBondContact CB-OH 3.44Å; T359-Y405 HydrophobicContact CG2-CD1 4.32Å; T359-Y405 HydrophobicContact CG2-CD2 3.95Å; T359-Y405 HydrophobicContact CG2-CE1 4.21Å; T359-Y405 HydrophobicContact CG2-CE2 3.85Å; T359-Y405 HydrophobicContact CG2-CG 4.2Å; T359-Y405 PolarHBondContact O-OH 3.39Å; T359-Y405 WeakPolarHBondContact OG1-CE2 3.23Å; G369-Y405 WeakPolarHBondContact CA-OH 3.38Å; L375-Y405 HydrophobicContact CD1-CD1 3.56Å; L375-Y405 HydrophobicContact CD1-CE1 3.85Å; T397-Y405 HydrophobicContact CG2-CD2 4.09Å; T397-Y405 WeakPolarHBondContact OG1-CD2 3.4Å; T397-Y405 WeakPolarHBondContact OG1-CE2 3.48Å; L401-Y405 HydrophobicContact CB-CD2 3.83Å; L401-Y405 HydrophobicContact CB-CE2 3.77Å; L401-Y405 HydrophobicContact CD1-CE2 3.99Å; L401-Y405 HydrophobicContact CG-CE2 4.41Å; L401-Y405 WeakPolarHBondContact O-CD2 3.34Å; L401-Y405 PolarHBondContact O-N 3.46Å; Y405-K407 VanDerWaalsContact C-N 3.34Å; Y405-L408 HydrophobicContact CD1-CD2 3.88Å; Y405-L408 HydrophobicContact CE1-CD2 3.96Å; Y405-L409 VanDerWaalsContact O-CG 3.24Å; Y405-L409 WeakPolarHBondContact O-CG 3.18Å; Y405-L409 PolarHBondContact O-N 2.9Å
406T93.2Very high88.1Confident71 Ų7157.2 Ų57.244%0.43632%0.317SS..Hα-helixtrans-64.9-42.4171.9-55.70000110.6K402 A403 H404K402-T406 WeakPolarHBondContact O-CB 3.44Å; K402-T406 PolarHBondContact O-N 2.89Å; K402-T406 PolarHBondContact O-OG1 3.46Å; A403-T406 PolarHBondContact O-N 3.35Å; H404-T406 VanDerWaalsContact C-N 3.33Å; H404-T406 PolarHBondContact O-N 2.94Å
407K90.1Very high87.9Confident116 Ų11657.3 Ų57.350%0.50432%0.317SS..Hα-helixtrans-69.8-43.5176.7-173.5-178.7174.8-1640112.1A403 H404 Y405 L409 S410 E411A403-K407 WeakPolarHBondContact O-CB 3.34Å; A403-K407 PolarHBondContact O-N 2.75Å; H404-K407 PolarHBondContact O-N 3.17Å; Y405-K407 VanDerWaalsContact C-N 3.34Å; K407-L409 PolarHBondContact O-N 3.2Å; K407-S410 PolarHBondContact O-N 3.26Å; K407-S410 PolarHBondContact O-OG 3.3Å; K407-E411 WeakPolarHBondContact CE-OE1 3.29Å; K407-E411 WeakPolarHBondContact CE-OE2 3.31Å; K407-E411 IonicContact NZ-OE1 3.36Å; K407-E411 PolarHBondContact NZ-OE1 3.42Å; K407-E411 IonicContact NZ-OE2 3.73Å; K407-E411 PolarHBondContact O-N 3.19Å; K407-E411 VanDerWaalsContact O-N 3.15Å
408L86.3Confident87.7Confident19 Ų1958.5 Ų58.510%0.09933%0.326CS..Hα-helixtrans-61.5-27.2180-166.568.4000112.9L375 H404 Y405 S410 E411L375-L408 HydrophobicContact CD1-CD2 3.99Å; H404-L408 WeakPolarHBondContact O-CB 3.37Å; H404-L408 PolarHBondContact O-N 3.46Å; Y405-L408 HydrophobicContact CD1-CD2 3.88Å; Y405-L408 HydrophobicContact CE1-CD2 3.96Å; L408-S410 VanDerWaalsContact C-N 3.28Å; L408-S410 PolarHBondContact O-N 3.2Å; L408-E411 VanDerWaalsContact O-O 3.11Å
409L84.3Confident87.7Confident25 Ų2558.4 Ų58.413%0.13133%0.325CS..THydrogen-bonded Turntrans-74.9-14.6175.7-76172.9000114.6K220 V222 I379 I395 Y405 K407K220-L409 HydrophobicContact CB-CD1 4.13Å; K220-L409 HydrophobicContact CD-CB 4.21Å; K220-L409 HydrophobicContact CD-CD1 4.47Å; K220-L409 HydrophobicContact CD-CD2 4.28Å; K220-L409 PolarHBondContact NZ-O 3.07Å; K220-L409 VanDerWaalsContact NZ-O 3.13Å; V222-L409 HydrophobicContact CG2-CD1 3.64Å; I379-L409 HydrophobicContact CD1-CD2 3.59Å; I395-L409 HydrophobicContact CD1-CD1 3.74Å; I395-L409 HydrophobicContact CD1-CD2 3.85Å; I395-L409 HydrophobicContact CD1-CG 4.08Å; Y405-L409 VanDerWaalsContact O-CG 3.24Å; Y405-L409 WeakPolarHBondContact O-CG 3.18Å; Y405-L409 PolarHBondContact O-N 2.9Å; K407-L409 PolarHBondContact O-N 3.2Å
410S79.4Confident87.5Confident95 Ų9560 Ų6066%0.66432%0.323SS*.THydrogen-bonded Turntrans-102.7-22.9176520000113.7K407 L408K407-S410 PolarHBondContact O-N 3.26Å; K407-S410 PolarHBondContact O-OG 3.3Å; L408-S410 VanDerWaalsContact C-N 3.28Å; L408-S410 PolarHBondContact O-N 3.2Å
411E73.1Confident87.2Confident95 Ų9556.9 Ų56.944%0.44431%0.312SS..  trans-95.1153178.2-67.8-179.4165.300110.8K407 L408K407-E411 WeakPolarHBondContact CE-OE1 3.29Å; K407-E411 WeakPolarHBondContact CE-OE2 3.31Å; K407-E411 IonicContact NZ-OE1 3.36Å; K407-E411 PolarHBondContact NZ-OE1 3.42Å; K407-E411 IonicContact NZ-OE2 3.73Å; K407-E411 PolarHBondContact O-N 3.19Å; K407-E411 VanDerWaalsContact O-N 3.15Å; L408-E411 VanDerWaalsContact O-O 3.11Å
412C70.9Confident87Confident61 Ų6156.5 Ų56.541%0.41231%0.309SS..  trans-110.8128.5170.1-640000107.8
413D70.4Confident86.9Confident61 Ų6152 Ų5233%0.32629%0.289SS..PPolyproline II helixtrans-64.5145.1177.6-65.3-36.2000110.8S188 S372S188-D413 PolarHBondContact OG-O 3.28Å; S372-D413 WeakPolarHBondContact CB-OD2 3.24Å; S372-D413 PolarHBondContact N-OD2 3.2Å; S372-D413 VanDerWaalsContact N-OD2 3.15Å; S372-D413 PolarHBondContact OG-N 2.8Å; S372-D413 PolarHBondContact OG-OD2 3.49Å
414E82.3Confident86.8Confident111 Ų11149.8 Ų49.852%0.51927%0.268SS..PPolyproline II helixtrans-76.2136.2167.5-74.4-167.2-173.400110.8S188 R454S188-E414 VanDerWaalsContact OG-CA 3.22Å; S188-E414 WeakPolarHBondContact OG-CA 3.5Å; S188-E414 WeakPolarHBondContact OG-CG 3.32Å; S188-E414 PolarHBondContact OG-N 3.15Å; E414-R454 IonicContact OE2-CZ 3.77Å; E414-R454 IonicContact OE2-NH1 2.8Å; E414-R454 IonicContact OE2-NH2 3.66Å; E414-R454 PolarHBondContact OE2-NH2 3.49Å
415I88.1Confident86.7Confident13 Ų1348.4 Ų48.47%0.06726%0.262CS..PPolyproline II helixtrans-93.1126.1-179.7-53.4-161.5000109.5H154 I156 L187 N189 F450 R454H154-I415 HydrophobicContact CB-CD1 3.25Å; I156-I415 HydrophobicContact CG2-CG2 3.49Å; I156-I415 VanDerWaalsContact CG2-CG2 3.49Å; L187-I415 HydrophobicContact CD2-CD1 3.09Å; L187-I415 HydrophobicContact CD2-CG1 4.06Å; N189-I415 PolarHBondContact ND2-O 2.98Å; N189-I415 PolarHBondContact OD1-N 2.9Å; N189-I415 VanDerWaalsContact OD1-N 3.14Å; I415-F450 HydrophobicContact CG2-CE1 4.19Å; I415-R454 WeakPolarHBondContact O-CD 3.34Å; I415-R454 PolarHBondContact O-NE 3.43Å; I415-R454 VanDerWaalsContact O-NE 3.13Å
416N90.6Very high86.7Confident25 Ų2548.7 Ų48.713%0.13426%0.264CS..  trans-110.7153175.5-64-56000110G157 R454 F461G157-N416 VanDerWaalsContact CA-O 3.31Å; G157-N416 WeakPolarHBondContact CA-O 3.28Å; N416-R454 PolarHBondContact OD1-NE 3.09Å; N416-R454 PolarHBondContact OD1-NH2 3.42Å; N416-F461 HydrophobicContact CB-CD1 4.17Å; N416-F461 HydrophobicContact CB-CE1 3.67Å; N416-F461 HydrophobicContact CB-CE2 4.44Å; N416-F461 HydrophobicContact CB-CZ 3.83Å
417S93.7Very high86.7Confident2 Ų245.3 Ų45.31%0.01424%0.243CC..  trans-73.2141.3170.81720000110.6E166 L419 F451 Y462E166-S417 VanDerWaalsContact CD-OG 3.26Å; E166-S417 PolarHBondContact OE1-OG 3.04Å; E166-S417 VanDerWaalsContact OE2-CB 3.26Å; E166-S417 WeakPolarHBondContact OE2-CB 3.49Å; E166-S417 PolarHBondContact OE2-OG 3.17Å; S417-L419 VanDerWaalsContact OG-CB 3.26Å; S417-L419 WeakPolarHBondContact OG-CB 3.38Å; S417-L419 PolarHBondContact OG-N 3.25Å; S417-F451 WeakPolarHBondContact OG-CB 3.4Å; S417-Y462 PolarHBondContact N-OH 2.9Å; S417-Y462 PolarHBondContact O-OH 2.86Å; S417-Y462 VanDerWaalsContact O-OH 3.08Å
418C91.1Very high86.9Confident26 Ų2640.4 Ų40.418%0.17622%0.222CC..  trans-102.28.2168.9-62.90000113.2S163 E420 S421S163-C418 VanDerWaalsContact OG-C 3.28Å; S163-C418 PolarHBondContact OG-O 2.6Å; C418-E420 PolarHBondContact O-N 3.4Å; C418-E420 VanDerWaalsContact O-N 3.15Å; C418-S421 PolarHBondContact O-N 3.29Å; C418-S421 PolarHBondContact O-OG 2.89Å
419L93.1Very high87.1Confident0 Ų040.2 Ų40.20%022%0.222CC..G310 helixtrans-56.3-35.6-174-171.776000113.2S417 S421 H422 L423 L426 W445 T449 F451S417-L419 VanDerWaalsContact OG-CB 3.26Å; S417-L419 WeakPolarHBondContact OG-CB 3.38Å; S417-L419 PolarHBondContact OG-N 3.25Å; L419-S421 PolarHBondContact O-N 2.98Å; L419-H422 CarbonylContact O-C 3.47Å; L419-H422 PolarHBondContact O-N 3.33Å; L419-L423 HydrophobicContact CD2-CD1 4.31Å; L419-L423 HydrophobicContact CG-CD1 4.45Å; L419-L423 WeakPolarHBondContact O-CA 3.4Å; L419-L423 PolarHBondContact O-N 3.26Å; L419-L426 HydrophobicContact CD1-CD1 3.42Å; L419-L426 VanDerWaalsContact CD1-CD1 3.42Å; L419-W445 HydrophobicContact CD1-CH2 4.42Å; L419-W445 HydrophobicContact CD2-CH2 4.39Å; L419-T449 HydrophobicContact CD2-CG2 3.6Å; L419-F451 HydrophobicContact CB-CB 4.06Å; L419-F451 HydrophobicContact CD2-CB 3.93Å; L419-F451 HydrophobicContact CD2-CG 4.49Å
420E90.2Very high87.6Confident86 Ų8639 Ų3940%0.40222%0.216SC..G310 helixtrans-54.1-39.1-177.5-171.2-176.2179.700112.6C418 H422 L423 F451C418-E420 PolarHBondContact O-N 3.4Å; C418-E420 VanDerWaalsContact O-N 3.15Å; E420-H422 PolarHBondContact O-N 3.44Å; E420-L423 PolarHBondContact O-N 2.86Å; E420-F451 HydrophobicContact CB-CE2 3.97Å; E420-F451 HydrophobicContact CB-CZ 4.44Å
421S86.3Confident88.3Confident63 Ų6334.5 Ų34.544%0.44118%0.184SC..G310 helixtrans-71.3-16.9-178.360.80000113.9H159 C418 L419H159-S421 PolarHBondContact NE2-OG 3.01Å; C418-S421 PolarHBondContact O-N 3.29Å; C418-S421 PolarHBondContact O-OG 2.89Å; L419-S421 PolarHBondContact O-N 2.98Å
422H89Confident89.1Confident34 Ų3430.9 Ų30.916%0.15717%0.169CC..G310 helixtrans-123.411.9-179.6-59.193.4000112.8H159 S163 L419 E420 T424 E425 L426H159-H422 AromaticContact CE1-CE1 3.68Å; H159-H422 AromaticContact ND1-CE1 3.76Å; H159-H422 PolarHBondContact O-CE1 3.44Å; H159-H422 PolarHBondContact O-ND1 3.28Å; S163-H422 PolarHBondContact OG-ND1 2.86Å; L419-H422 CarbonylContact O-C 3.47Å; L419-H422 PolarHBondContact O-N 3.33Å; E420-H422 PolarHBondContact O-N 3.44Å; H422-T424 VanDerWaalsContact C-N 3.33Å; H422-T424 PolarHBondContact O-N 2.87Å; H422-E425 PolarHBondContact O-N 2.87Å; H422-L426 HydrophobicContact CB-CD1 3.92Å; H422-L426 HydrophobicContact CB-CG 4.33Å; H422-L426 WeakPolarHBondContact O-CG 3.12Å; H422-L426 PolarHBondContact O-N 2.82Å
423L92.9Very high90Very high3 Ų329.6 Ų29.62%0.01616%0.158CC..Hα-helixtrans-59.1-42.1-171-179.861.1000112.1L419 E420 E425 L426 L427 W445 L480 E484L419-L423 HydrophobicContact CD2-CD1 4.31Å; L419-L423 HydrophobicContact CG-CD1 4.45Å; L419-L423 WeakPolarHBondContact O-CA 3.4Å; L419-L423 PolarHBondContact O-N 3.26Å; E420-L423 PolarHBondContact O-N 2.86Å; L423-E425 PolarHBondContact O-N 2.73Å; L423-L426 PolarHBondContact O-N 2.86Å; L423-L427 WeakPolarHBondContact O-CB 3.49Å; L423-L427 PolarHBondContact O-N 2.81Å; L423-W445 HydrophobicContact CD1-CH2 4.37Å; L423-W445 HydrophobicContact CD1-CZ3 3.81Å; L423-L480 HydrophobicContact CD2-CD1 4.25Å; L423-L480 HydrophobicContact CD2-CD2 3.67Å; L423-L480 HydrophobicContact CD2-CG 3.82Å; L423-E484 HydrophobicContact CD2-CG 4.12Å; L423-E484 HydrophobicContact CG-CG 4.42Å
424T92.4Very high90.9Very high31 Ų3132.4 Ų32.419%0.1916%0.164CC..Hα-helixtrans-59.6-47.6-179.7-420000112.1H422 L428 E484 L488 L519H422-T424 VanDerWaalsContact C-N 3.33Å; H422-T424 PolarHBondContact O-N 2.87Å; T424-L428 WeakPolarHBondContact O-CB 3.44Å; T424-L428 PolarHBondContact O-N 3.3Å; T424-L428 VanDerWaalsContact O-N 3.1Å; T424-E484 PolarHBondContact OG1-OE2 3.4Å; T424-L488 HydrophobicContact CG2-CD2 3.69Å; T424-L488 HydrophobicContact CG2-CG 4.1Å; T424-L519 HydrophobicContact CG2-CD2 4.45Å
425E90.5Very high91.3Very high74 Ų7427.7 Ų27.735%0.34614%0.143SC..Hα-helixtrans-72.1-38.2-178.1-65-169.4160.600111.9H422 L423 C429 L519H422-E425 PolarHBondContact O-N 2.87Å; L423-E425 PolarHBondContact O-N 2.73Å; E425-C429 PolarHBondContact O-N 2.89Å; E425-C429 PolarHBondContact O-SG 3.04Å; E425-L519 HydrophobicContact CG-CB 4.34Å; E425-L519 WeakPolarHBondContact OE1-CB 3.5Å; E425-L519 PolarHBondContact OE1-N 2.84Å
426L92.2Very high91.5Very high12 Ų1227.1 Ų27.16%0.06314%0.14CC..Hα-helixtrans-72.1-40.8178.7-67.7171.4000111.6S163 A167 L419 H422 L423 L428 C429 E430 W445S163-L426 WeakPolarHBondContact O-CD1 3.44Å; A167-L426 HydrophobicContact CB-CD1 4.18Å; A167-L426 HydrophobicContact CB-CD2 4.01Å; A167-L426 HydrophobicContact CB-CG 4.47Å; L419-L426 HydrophobicContact CD1-CD1 3.42Å; L419-L426 VanDerWaalsContact CD1-CD1 3.42Å; H422-L426 HydrophobicContact CB-CD1 3.92Å; H422-L426 HydrophobicContact CB-CG 4.33Å; H422-L426 WeakPolarHBondContact O-CG 3.12Å; H422-L426 PolarHBondContact O-N 2.82Å; L423-L426 PolarHBondContact O-N 2.86Å; L426-L428 VanDerWaalsContact C-N 3.33Å; L426-L428 PolarHBondContact O-N 2.95Å; L426-C429 WeakPolarHBondContact O-CB 3.49Å; L426-C429 PolarHBondContact O-N 2.86Å; L426-C429 VanDerWaalsContact O-N 3.13Å; L426-E430 WeakPolarHBondContact O-CG 3.47Å; L426-E430 PolarHBondContact O-N 3.44Å; L426-W445 HydrophobicContact CB-CH2 4.22Å
427L94.6Very high91.7Very high0 Ų030.9 Ų30.90%016%0.155CC..Hα-helixtrans-60.9-43.3173.5-177.961.6000111L423 C429 E430 I431 V436 A442 W445 E484 I485 L488L423-L427 WeakPolarHBondContact O-CB 3.49Å; L423-L427 PolarHBondContact O-N 2.81Å; L427-C429 VanDerWaalsContact C-N 3.3Å; L427-C429 PolarHBondContact O-N 2.87Å; L427-E430 PolarHBondContact O-N 2.77Å; L427-E430 VanDerWaalsContact O-N 3.17Å; L427-I431 HydrophobicContact CD1-CD1 4.46Å; L427-I431 HydrophobicContact CG-CD1 4.05Å; L427-I431 VanDerWaalsContact O-CG1 3.3Å; L427-I431 WeakPolarHBondContact O-CG1 3.22Å; L427-I431 PolarHBondContact O-N 3.28Å; L427-V436 HydrophobicContact CD1-CG1 4.49Å; L427-V436 HydrophobicContact CD1-CG2 4.47Å; L427-A442 HydrophobicContact CD1-CB 4.45Å; L427-W445 HydrophobicContact CD1-CE3 4.27Å; L427-W445 HydrophobicContact CD1-CZ3 4.39Å; L427-E484 HydrophobicContact CD2-CB 4.08Å; L427-I485 HydrophobicContact CD2-CG1 4.08Å; L427-L488 HydrophobicContact CG-CD1 4.5Å
428L93.9Very high91.8Very high12 Ų1232.6 Ų32.66%0.06316%0.164CC..Hα-helixtrans-58.2-43.7173.2-177.863.7000111.7T424 L426 E430 I431 V432 L488 L493 V494T424-L428 WeakPolarHBondContact O-CB 3.44Å; T424-L428 PolarHBondContact O-N 3.3Å; T424-L428 VanDerWaalsContact O-N 3.1Å; L426-L428 VanDerWaalsContact C-N 3.33Å; L426-L428 PolarHBondContact O-N 2.95Å; L428-E430 VanDerWaalsContact C-N 3.32Å; L428-E430 PolarHBondContact O-N 3.34Å; L428-I431 PolarHBondContact O-N 2.91Å; L428-V432 HydrophobicContact CD1-CG2 4.49Å; L428-V432 WeakPolarHBondContact O-CG2 3.36Å; L428-V432 PolarHBondContact O-N 3.49Å; L428-L488 HydrophobicContact CB-CD1 4.04Å; L428-L488 HydrophobicContact CB-CD2 3.99Å; L428-L488 HydrophobicContact CD1-CD1 4.31Å; L428-L488 HydrophobicContact CD1-CD2 4.18Å; L428-L488 HydrophobicContact CD2-CD2 4.24Å; L428-L488 HydrophobicContact CG-CD2 4.37Å; L428-L493 HydrophobicContact CD1-CB 4Å; L428-L493 HydrophobicContact CD2-CB 4.4Å; L428-L493 HydrophobicContact CD2-CD1 3.77Å; L428-V494 HydrophobicContact CD1-CG2 3.71Å
429C91.2Very high92Very high15 Ų1532.6 Ų32.610%0.10116%0.161CC..Hα-helixtrans-59.3-41.7176-70.70000112.1E425 L426 L427 I431 V432 L433 F513E425-C429 PolarHBondContact O-N 2.89Å; E425-C429 PolarHBondContact O-SG 3.04Å; L426-C429 WeakPolarHBondContact O-CB 3.49Å; L426-C429 PolarHBondContact O-N 2.86Å; L426-C429 VanDerWaalsContact O-N 3.13Å; L427-C429 VanDerWaalsContact C-N 3.3Å; L427-C429 PolarHBondContact O-N 2.87Å; C429-I431 VanDerWaalsContact C-N 3.35Å; C429-V432 PolarHBondContact O-N 2.9Å; C429-L433 WeakPolarHBondContact O-CB 3.38Å; C429-L433 VanDerWaalsContact O-CG 3.31Å; C429-L433 WeakPolarHBondContact O-CG 3.19Å; C429-L433 PolarHBondContact O-N 2.79Å; C429-F513 HydrophobicContact CB-CD2 4.23Å; C429-F513 HydrophobicContact CB-CE2 3.9Å
430E92.8Very high92.1Very high0 Ų037.8 Ų37.80%019%0.189CC..Hα-helixtrans-70.1-30.7178-61.3-62.1171.200113.5R171 L426 L427 L428 R434 T435 V436 W445R171-E430 IonicContact CZ-OE1 2.84Å; R171-E430 IonicContact CZ-OE2 3.74Å; R171-E430 IonicContact NE-OE1 3.63Å; R171-E430 PolarHBondContact NE-OE1 3.48Å; R171-E430 IonicContact NE-OE2 3.52Å; R171-E430 PolarHBondContact NE-OE2 3.34Å; R171-E430 IonicContact NH2-OE1 2.72Å; R171-E430 PolarHBondContact NH2-OE1 3.1Å; R171-E430 IonicContact NH2-OE2 3.26Å; R171-E430 PolarHBondContact NH2-OE2 3.18Å; R171-E430 VanDerWaalsContact NH2-OE2 3.13Å; L426-E430 WeakPolarHBondContact O-CG 3.47Å; L426-E430 PolarHBondContact O-N 3.44Å; L427-E430 PolarHBondContact O-N 2.77Å; L427-E430 VanDerWaalsContact O-N 3.17Å; L428-E430 VanDerWaalsContact C-N 3.32Å; L428-E430 PolarHBondContact O-N 3.34Å; E430-R434 PolarHBondContact O-N 3.43Å; E430-T435 PolarHBondContact O-N 2.94Å; E430-T435 VanDerWaalsContact OE2-CB 3.28Å; E430-T435 WeakPolarHBondContact OE2-CB 3.41Å; E430-T435 PolarHBondContact OE2-OG1 2.79Å; E430-V436 HydrophobicContact CB-CB 4.32Å; E430-V436 HydrophobicContact CB-CG2 3.87Å; E430-V436 PolarHBondContact O-N 3.18Å; E430-V436 VanDerWaalsContact O-N 3.12Å; E430-W445 HydrophobicContact CG-CD2 4.12Å; E430-W445 VanDerWaalsContact CG-CE2 3.5Å; E430-W445 HydrophobicContact CG-CH2 4.34Å; E430-W445 HydrophobicContact CG-CZ2 3.62Å; E430-W445 PolarHBondContact OE1-NE1 2.88Å
431I94.1Very high92.4Very high0 Ų034.3 Ų34.30%017%0.174CC..Hα-helixtrans-68.1-46173.4-66.9163.4000110.3L427 L428 C429 L433 R434 V436 L488 V494 I503 P505L427-I431 HydrophobicContact CD1-CD1 4.46Å; L427-I431 HydrophobicContact CG-CD1 4.05Å; L427-I431 VanDerWaalsContact O-CG1 3.3Å; L427-I431 WeakPolarHBondContact O-CG1 3.22Å; L427-I431 PolarHBondContact O-N 3.28Å; L428-I431 PolarHBondContact O-N 2.91Å; C429-I431 VanDerWaalsContact C-N 3.35Å; I431-L433 VanDerWaalsContact C-N 3.34Å; I431-L433 PolarHBondContact O-N 3.43Å; I431-R434 PolarHBondContact O-N 3.3Å; I431-R434 VanDerWaalsContact O-N 3.07Å; I431-V436 WeakPolarHBondContact CA-O 3.24Å; I431-V436 HydrophobicContact CG1-CB 4.02Å; I431-V436 HydrophobicContact CG1-CG1 3.82Å; I431-L488 HydrophobicContact CD1-CD1 4.1Å; I431-V494 HydrophobicContact CD1-CG2 3.99Å; I431-V494 HydrophobicContact CG2-CG2 4.21Å; I431-I503 HydrophobicContact CD1-CG2 3.73Å; I431-I503 HydrophobicContact CG1-CG2 3.94Å; I431-I503 HydrophobicContact CG2-CG2 3.81Å; I431-P505 HydrophobicContact CG2-CB 4.17Å; I431-P505 HydrophobicContact CG2-CG 4.5Å
432V91.5Very high92.9Very high20 Ų2031.3 Ų31.312%0.12115%0.153CC..Hα-helixtrans-63.7-40.1177.3176.40000111.4L428 C429 R434 P505 F513L428-V432 HydrophobicContact CD1-CG2 4.49Å; L428-V432 WeakPolarHBondContact O-CG2 3.36Å; L428-V432 PolarHBondContact O-N 3.49Å; C429-V432 PolarHBondContact O-N 2.9Å; V432-R434 PolarHBondContact O-N 3.48Å; V432-P505 HydrophobicContact CG2-CB 3.9Å; V432-F513 HydrophobicContact CB-CB 4.46Å; V432-F513 HydrophobicContact CB-CD2 4.01Å; V432-F513 HydrophobicContact CB-CE2 4.33Å; V432-F513 HydrophobicContact CB-CG 4.11Å; V432-F513 HydrophobicContact CG1-CB 3.94Å; V432-F513 HydrophobicContact CG1-CD1 3.63Å; V432-F513 HydrophobicContact CG1-CD2 3.97Å; V432-F513 HydrophobicContact CG1-CE1 4.03Å; V432-F513 HydrophobicContact CG1-CE2 4.34Å; V432-F513 HydrophobicContact CG1-CG 3.59Å; V432-F513 HydrophobicContact CG1-CZ 4.35Å; V432-F513 HydrophobicContact CG2-CB 4.35Å; V432-F513 HydrophobicContact CG2-CD2 4.48Å; V432-F513 HydrophobicContact CG2-CG 4.5Å
433L88.9Confident93.2Very high34 Ų3430.4 Ų30.418%0.17815%0.149CC..THydrogen-bonded Turntrans-72.3-4.4175.1-74.4170.7000114.1V132 L138 R171 C429 I431 T435 F513V132-L433 HydrophobicContact CG1-CD1 4.35Å; V132-L433 HydrophobicContact CG1-CD2 4.43Å; L138-L433 HydrophobicContact CD1-CD2 4.5Å; R171-L433 VanDerWaalsContact CZ-CD1 3.4Å; R171-L433 VanDerWaalsContact NH2-CD1 3.34Å; C429-L433 WeakPolarHBondContact O-CB 3.38Å; C429-L433 VanDerWaalsContact O-CG 3.31Å; C429-L433 WeakPolarHBondContact O-CG 3.19Å; C429-L433 PolarHBondContact O-N 2.79Å; I431-L433 VanDerWaalsContact C-N 3.34Å; I431-L433 PolarHBondContact O-N 3.43Å; L433-T435 PolarHBondContact O-N 2.99Å; L433-T435 VanDerWaalsContact O-N 3.16Å; L433-F513 HydrophobicContact CD1-CE2 4.29Å; L433-F513 HydrophobicContact CD1-CZ 4.05Å; L433-F513 HydrophobicContact CD2-CE1 4.24Å; L433-F513 HydrophobicContact CD2-CZ 3.59Å; L433-F513 HydrophobicContact CG-CE2 3.99Å; L433-F513 HydrophobicContact CG-CZ 3.53Å
434R90.3Very high93.3Very high119 Ų11934.3 Ų34.345%0.44917%0.17SC..THydrogen-bonded Turntrans59.718.8-176.1-53.2-62.7-172.7156.42114.4E430 I431 V432 N504 P505E430-R434 PolarHBondContact O-N 3.43Å; I431-R434 PolarHBondContact O-N 3.3Å; I431-R434 VanDerWaalsContact O-N 3.07Å; V432-R434 PolarHBondContact O-N 3.48Å; R434-N504 PolarHBondContact NH1-OD1 3.43Å; R434-P505 VanDerWaalsContact NH1-CD 3.25Å
435T89.4Confident93.5Very high13 Ų1332.8 Ų32.88%0.0816%0.161CC..SBendtrans-66-33.5164.9-45.70000110.2R171 L175 E430 L433R171-T435 HydrophobicContact CG-CG2 4.48Å; L175-T435 HydrophobicContact CD2-CG2 4.44Å; E430-T435 PolarHBondContact O-N 2.94Å; E430-T435 VanDerWaalsContact OE2-CB 3.28Å; E430-T435 WeakPolarHBondContact OE2-CB 3.41Å; E430-T435 PolarHBondContact OE2-OG1 2.79Å; L433-T435 PolarHBondContact O-N 2.99Å; L433-T435 VanDerWaalsContact O-N 3.16Å
436V93.5Very high93.8Very high0 Ų029.3 Ų29.30%014%0.144CC..  trans-117.2126.1174.8173.40000108.3L427 E430 I431 A442 W445 I503L427-V436 HydrophobicContact CD1-CG1 4.49Å; L427-V436 HydrophobicContact CD1-CG2 4.47Å; E430-V436 HydrophobicContact CB-CB 4.32Å; E430-V436 HydrophobicContact CB-CG2 3.87Å; E430-V436 PolarHBondContact O-N 3.18Å; E430-V436 VanDerWaalsContact O-N 3.12Å; I431-V436 WeakPolarHBondContact CA-O 3.24Å; I431-V436 HydrophobicContact CG1-CB 4.02Å; I431-V436 HydrophobicContact CG1-CG1 3.82Å; V436-A442 HydrophobicContact CG1-CB 3.57Å; V436-W445 HydrophobicContact CG2-CB 3.91Å; V436-W445 HydrophobicContact CG2-CG 4.23Å; V436-I503 HydrophobicContact CG1-CD1 4.26Å
437F93.9Very high93.9Very high105 Ų10532.1 Ų32.146%0.46116%0.156SC..  trans-139.2-5.8-176.154.1-95.4000113.5S441 I503F437-S441 PolarHBondContact N-OG 3.03Å; F437-I503 PolarHBondContact O-N 2.67Å
438D96Very high94Very high37 Ų3734 Ų3420%0.19817%0.167CC..BIsolated β-bridgetrans-152173.4174.258.426.7000109.9D440 S441 A442 S501 I503D438-D440 VanDerWaalsContact C-N 3.32Å; D438-D440 PolarHBondContact O-N 2.87Å; D438-D440 PolarHBondContact OD1-N 2.78Å; D438-S441 PolarHBondContact N-OG 2.86Å; D438-S441 PolarHBondContact O-N 3.3Å; D438-S441 PolarHBondContact O-OG 3.48Å; D438-S441 WeakPolarHBondContact OD1-CA 3.28Å; D438-S441 WeakPolarHBondContact OD1-CB 3.45Å; D438-S441 PolarHBondContact OD1-N 2.86Å; D438-S441 PolarHBondContact OD1-OG 3.06Å; D438-A442 PolarHBondContact O-N 3.29Å; D438-A442 VanDerWaalsContact O-N 3.12Å; D438-S501 CarbonylContact C-O 3.53Å; D438-S501 WeakPolarHBondContact CA-O 3.41Å; D438-S501 VanDerWaalsContact CB-O 3.29Å; D438-S501 WeakPolarHBondContact CB-O 3.39Å; D438-I503 VanDerWaalsContact C-CD1 3.41Å; D438-I503 WeakPolarHBondContact O-CD1 3.46Å
439F95.7Very high94.1Very high26 Ų2633.5 Ų33.511%0.11416%0.164CC..Hα-helixtrans-62.3-38.6-179.2-176.2-112.2000112.9A442 L443 C481 I482 I485 Y496 S501F439-A442 WeakPolarHBondContact O-CB 3.24Å; F439-A442 PolarHBondContact O-N 3.16Å; F439-L443 HydrophobicContact CD1-CD1 3.99Å; F439-L443 HydrophobicContact CD1-CG 4.36Å; F439-L443 HydrophobicContact CE1-CD1 3.46Å; F439-L443 VanDerWaalsContact CE1-CD1 3.46Å; F439-L443 HydrophobicContact CE1-CD2 4.35Å; F439-L443 HydrophobicContact CE1-CG 3.95Å; F439-L443 HydrophobicContact CE2-CD2 4.26Å; F439-L443 HydrophobicContact CE2-CG 4.32Å; F439-L443 HydrophobicContact CZ-CD1 3.85Å; F439-L443 HydrophobicContact CZ-CD2 3.86Å; F439-L443 HydrophobicContact CZ-CG 3.92Å; F439-L443 WeakPolarHBondContact O-CG 3.23Å; F439-L443 PolarHBondContact O-N 2.75Å; F439-C481 HydrophobicContact CE2-CB 4.07Å; F439-I482 HydrophobicContact CD2-CG1 4.24Å; F439-I482 HydrophobicContact CE1-CG1 4.5Å; F439-I482 HydrophobicContact CE2-CB 4.42Å; F439-I482 HydrophobicContact CE2-CD1 4.13Å; F439-I482 HydrophobicContact CE2-CG1 3.27Å; F439-I482 HydrophobicContact CZ-CD1 3.78Å; F439-I482 HydrophobicContact CZ-CG1 3.43Å; F439-I482 VanDerWaalsContact CZ-CG1 3.43Å; F439-I485 HydrophobicContact CD2-CD1 3.86Å; F439-I485 HydrophobicContact CE2-CD1 4.35Å; F439-Y496 HydrophobicContact CB-CE2 4.45Å; F439-S501 PolarHBondContact N-O 2.85Å
440D95.4Very high94.3Very high110 Ų11032.8 Ų32.859%0.58816%0.159SC*.Hα-helixtrans-68.1-40.2-178.6-69.8-43.7000112.3D438 A442 L443 N444D438-D440 VanDerWaalsContact C-N 3.32Å; D438-D440 PolarHBondContact O-N 2.87Å; D438-D440 PolarHBondContact OD1-N 2.78Å; D440-A442 VanDerWaalsContact C-N 3.32Å; D440-L443 PolarHBondContact O-N 3.41Å; D440-N444 VanDerWaalsContact O-CB 3.26Å; D440-N444 WeakPolarHBondContact O-CB 3.42Å; D440-N444 PolarHBondContact O-N 3.36Å
441S95.7Very high94.5Very high13 Ų1332.8 Ų32.89%0.09116%0.159CC..Hα-helixtrans-65.3-34.7172.756.90000111.8F437 D438 N444 W445F437-S441 PolarHBondContact N-OG 3.03Å; D438-S441 PolarHBondContact N-OG 2.86Å; D438-S441 PolarHBondContact O-N 3.3Å; D438-S441 PolarHBondContact O-OG 3.48Å; D438-S441 WeakPolarHBondContact OD1-CA 3.28Å; D438-S441 WeakPolarHBondContact OD1-CB 3.45Å; D438-S441 PolarHBondContact OD1-N 2.86Å; D438-S441 PolarHBondContact OD1-OG 3.06Å; S441-N444 PolarHBondContact O-N 3.2Å; S441-W445 WeakPolarHBondContact O-CB 3.38Å; S441-W445 PolarHBondContact O-N 3.5Å
442A96.1Very high94.6Very high0 Ų034 Ų340%016%0.164CC..Hα-helixtrans-64.2-47.3173.300000111.7L427 V436 D438 F439 D440 W445 I446 C481 I485 I503L427-A442 HydrophobicContact CD1-CB 4.45Å; V436-A442 HydrophobicContact CG1-CB 3.57Å; D438-A442 PolarHBondContact O-N 3.29Å; D438-A442 VanDerWaalsContact O-N 3.12Å; F439-A442 WeakPolarHBondContact O-CB 3.24Å; F439-A442 PolarHBondContact O-N 3.16Å; D440-A442 VanDerWaalsContact C-N 3.32Å; A442-W445 PolarHBondContact O-N 3.22Å; A442-I446 WeakPolarHBondContact O-CG1 3.49Å; A442-I446 PolarHBondContact O-N 3.36Å; A442-C481 VanDerWaalsContact CB-SG 3.54Å; A442-I485 HydrophobicContact CB-CD1 4.21Å; A442-I503 HydrophobicContact CB-CD1 4.31Å
443L96Very high94.8Very high15 Ų1533.4 Ų33.48%0.07916%0.16CC..Hα-helixtrans-62-43.5174.6-67.8-179.1000111.9F439 D440 W445 I446 K447 I477 Q478 C481F439-L443 HydrophobicContact CD1-CD1 3.99Å; F439-L443 HydrophobicContact CD1-CG 4.36Å; F439-L443 HydrophobicContact CE1-CD1 3.46Å; F439-L443 VanDerWaalsContact CE1-CD1 3.46Å; F439-L443 HydrophobicContact CE1-CD2 4.35Å; F439-L443 HydrophobicContact CE1-CG 3.95Å; F439-L443 HydrophobicContact CE2-CD2 4.26Å; F439-L443 HydrophobicContact CE2-CG 4.32Å; F439-L443 HydrophobicContact CZ-CD1 3.85Å; F439-L443 HydrophobicContact CZ-CD2 3.86Å; F439-L443 HydrophobicContact CZ-CG 3.92Å; F439-L443 WeakPolarHBondContact O-CG 3.23Å; F439-L443 PolarHBondContact O-N 2.75Å; D440-L443 PolarHBondContact O-N 3.41Å; L443-W445 VanDerWaalsContact C-N 3.31Å; L443-W445 PolarHBondContact O-N 3.07Å; L443-I446 PolarHBondContact O-N 3.03Å; L443-K447 WeakPolarHBondContact O-CB 3.24Å; L443-K447 WeakPolarHBondContact O-CG 3.37Å; L443-K447 PolarHBondContact O-N 3.12Å; L443-I477 HydrophobicContact CD2-CG2 4.46Å; L443-Q478 HydrophobicContact CD1-CG 3.88Å; L443-Q478 HydrophobicContact CD2-CB 4.32Å; L443-Q478 HydrophobicContact CD2-CG 3.82Å; L443-C481 HydrophobicContact CD2-CB 3.8Å
444N95.6Very high95.1Very high84 Ų8432 Ų3245%0.44915%0.153SC..Hα-helixtrans-62.7-39.5178.2-175.845.6000111.5D440 S441 K447 N448D440-N444 VanDerWaalsContact O-CB 3.26Å; D440-N444 WeakPolarHBondContact O-CB 3.42Å; D440-N444 PolarHBondContact O-N 3.36Å; S441-N444 PolarHBondContact O-N 3.2Å; N444-K447 PolarHBondContact O-N 3.3Å; N444-N448 WeakPolarHBondContact O-CB 3.36Å; N444-N448 PolarHBondContact O-N 3.31Å; N444-N448 VanDerWaalsContact O-N 3.15Å; N444-N448 PolarHBondContact O-ND2 2.61Å; N444-N448 PolarHBondContact OD1-ND2 2.91Å; N444-N448 VanDerWaalsContact OD1-ND2 3.16Å
445W96.2Very high95.3Very high0 Ų026.4 Ų26.40%013%0.131CC..Hα-helixtrans-61.2-52.5174.4-179.782.3000110.9A167 M174 L419 L423 L426 L427 E430 V436 S441 A442 L443 K447 N448 T449A167-W445 HydrophobicContact CB-CZ2 3.99Å; M174-W445 HydrophobicContact CE-CB 4.26Å; M174-W445 HydrophobicContact SD-CB 4.27Å; M174-W445 HydrophobicContact SD-CG 4.35Å; L419-W445 HydrophobicContact CD1-CH2 4.42Å; L419-W445 HydrophobicContact CD2-CH2 4.39Å; L423-W445 HydrophobicContact CD1-CH2 4.37Å; L423-W445 HydrophobicContact CD1-CZ3 3.81Å; L426-W445 HydrophobicContact CB-CH2 4.22Å; L427-W445 HydrophobicContact CD1-CE3 4.27Å; L427-W445 HydrophobicContact CD1-CZ3 4.39Å; E430-W445 HydrophobicContact CG-CD2 4.12Å; E430-W445 VanDerWaalsContact CG-CE2 3.5Å; E430-W445 HydrophobicContact CG-CH2 4.34Å; E430-W445 HydrophobicContact CG-CZ2 3.62Å; E430-W445 PolarHBondContact OE1-NE1 2.88Å; V436-W445 HydrophobicContact CG2-CB 3.91Å; V436-W445 HydrophobicContact CG2-CG 4.23Å; S441-W445 WeakPolarHBondContact O-CB 3.38Å; S441-W445 PolarHBondContact O-N 3.5Å; A442-W445 PolarHBondContact O-N 3.22Å; L443-W445 VanDerWaalsContact C-N 3.31Å; L443-W445 PolarHBondContact O-N 3.07Å; W445-K447 VanDerWaalsContact C-N 3.35Å; W445-K447 PolarHBondContact O-N 2.89Å; W445-N448 PolarHBondContact O-N 3.41Å; W445-T449 WeakPolarHBondContact O-CG2 3.15Å; W445-T449 PolarHBondContact O-N 3.33Å
446I96.4Very high95.5Very high0 Ų028.3 Ų28.30%014%0.143CC..Hα-helixtrans-59-44.8178.4-61.8173.9000111A442 L443 N448 T449 F451 Y452 I477 C481A442-I446 WeakPolarHBondContact O-CG1 3.49Å; A442-I446 PolarHBondContact O-N 3.36Å; L443-I446 PolarHBondContact O-N 3.03Å; I446-N448 PolarHBondContact O-N 3.05Å; I446-N448 VanDerWaalsContact O-N 3.12Å; I446-T449 WeakPolarHBondContact O-CB 3.41Å; I446-T449 WeakPolarHBondContact O-CG2 3.48Å; I446-T449 PolarHBondContact O-N 3.44Å; I446-T449 PolarHBondContact O-OG1 2.89Å; I446-F451 HydrophobicContact CG2-CD1 4.3Å; I446-Y452 WeakPolarHBondContact O-CB 3.33Å; I446-I477 HydrophobicContact CB-CG2 4.21Å; I446-I477 HydrophobicContact CG2-CD1 4.09Å; I446-I477 HydrophobicContact CG2-CG2 3.68Å; I446-C481 HydrophobicContact CD1-CB 3.87Å
447K95.3Very high95.4Very high72 Ų7233.7 Ų33.731%0.31316%0.163SC..Hα-helixtrans-61.6-21177.9-74.4-175.1174.4-164.80113.7L443 N444 W445 Y452 D474L443-K447 WeakPolarHBondContact O-CB 3.24Å; L443-K447 WeakPolarHBondContact O-CG 3.37Å; L443-K447 PolarHBondContact O-N 3.12Å; N444-K447 PolarHBondContact O-N 3.3Å; W445-K447 VanDerWaalsContact C-N 3.35Å; W445-K447 PolarHBondContact O-N 2.89Å; K447-Y452 HydrophobicContact CB-CD1 4.41Å; K447-Y452 HydrophobicContact CB-CG 4.41Å; K447-Y452 HydrophobicContact CG-CD2 4.07Å; K447-Y452 HydrophobicContact CG-CE1 4.47Å; K447-Y452 HydrophobicContact CG-CE2 3.9Å; K447-Y452 HydrophobicContact CG-CG 4.43Å; K447-Y452 VanDerWaalsContact O-CD1 3.28Å; K447-Y452 WeakPolarHBondContact O-CD1 3.33Å; K447-D474 IonicContact NZ-OD1 2.84Å; K447-D474 IonicContact NZ-OD2 2.55Å; K447-D474 PolarHBondContact NZ-OD2 3.46Å
448N95.4Very high95.2Very high40 Ų4032.4 Ų32.421%0.21416%0.158CC..THydrogen-bonded Turntrans-91.4-1.3176.7-86.6-79.5000114.3T170 K173 M174 W196 N444 W445 I446T170-N448 HydrophobicContact CG2-CB 3.89Å; K173-N448 WeakPolarHBondContact CE-OD1 3.25Å; K173-N448 PolarHBondContact NZ-O 3.26Å; K173-N448 PolarHBondContact NZ-OD1 3.04Å; M174-N448 HydrophobicContact CG-CB 4.24Å; M174-N448 HydrophobicContact SD-CB 3.93Å; W196-N448 PolarHBondContact NE1-O 2.83Å; W196-N448 VanDerWaalsContact NE1-O 3.16Å; N444-N448 WeakPolarHBondContact O-CB 3.36Å; N444-N448 PolarHBondContact O-N 3.31Å; N444-N448 VanDerWaalsContact O-N 3.15Å; N444-N448 PolarHBondContact O-ND2 2.61Å; N444-N448 PolarHBondContact OD1-ND2 2.91Å; N444-N448 VanDerWaalsContact OD1-ND2 3.16Å; W445-N448 PolarHBondContact O-N 3.41Å; I446-N448 PolarHBondContact O-N 3.05Å; I446-N448 VanDerWaalsContact O-N 3.12Å
449T96.9Very high95Very high0 Ų031.1 Ų31.10%015%0.151CC..SBendtrans-80.4164.9178.864.90000112.8E166 T170 L419 W445 I446 F451 Y452E166-T449 WeakPolarHBondContact OE1-CB 3.43Å; T170-T449 HydrophobicContact CG2-CG2 4.09Å; L419-T449 HydrophobicContact CD2-CG2 3.6Å; W445-T449 WeakPolarHBondContact O-CG2 3.15Å; W445-T449 PolarHBondContact O-N 3.33Å; I446-T449 WeakPolarHBondContact O-CB 3.41Å; I446-T449 WeakPolarHBondContact O-CG2 3.48Å; I446-T449 PolarHBondContact O-N 3.44Å; I446-T449 PolarHBondContact O-OG1 2.89Å; T449-F451 VanDerWaalsContact C-N 3.29Å; T449-F451 WeakPolarHBondContact OG1-CB 3.37Å; T449-Y452 PolarHBondContact OG1-N 2.62Å
450F96.2Very high94.9Very high0 Ų034 Ų340%017%0.165CC..Hα-helixtrans-71.2-30.6171.7-176.8-117.5000110.8I156 E166 D192 I193 W196 I415 Y452 V453 R454I156-F450 HydrophobicContact CD1-CB 3.71Å; I156-F450 HydrophobicContact CD1-CD1 3.73Å; I156-F450 HydrophobicContact CD1-CG 3.85Å; I156-F450 HydrophobicContact CG1-CD1 4.24Å; I156-F450 HydrophobicContact CG2-CD1 4.32Å; I156-F450 HydrophobicContact CG2-CE1 4.18Å; E166-F450 HydrophobicContact CG-CB 4.04Å; E166-F450 WeakPolarHBondContact OE1-CA 3.45Å; E166-F450 WeakPolarHBondContact OE1-CB 3.28Å; E166-F450 PolarHBondContact OE1-N 3.45Å; D192-F450 HydrophobicContact CB-CE2 3.6Å; D192-F450 HydrophobicContact CB-CZ 4.18Å; I193-F450 HydrophobicContact CD1-CD2 3.98Å; I193-F450 HydrophobicContact CD1-CE1 4.44Å; I193-F450 HydrophobicContact CD1-CE2 3.42Å; I193-F450 VanDerWaalsContact CD1-CE2 3.42Å; I193-F450 HydrophobicContact CD1-CZ 3.7Å; I193-F450 HydrophobicContact CG1-CE2 4.17Å; W196-F450 HydrophobicContact CB-CD2 3.93Å; W196-F450 VanDerWaalsContact CD1-N 3.3Å; W196-F450 HydrophobicContact CD2-CB 3.72Å; W196-F450 HydrophobicContact CD2-CD2 4.22Å; W196-F450 HydrophobicContact CD2-CG 4.37Å; W196-F450 HydrophobicContact CE3-CB 4.08Å; W196-F450 HydrophobicContact CE3-CD2 4.12Å; W196-F450 HydrophobicContact CE3-CG 4.35Å; W196-F450 HydrophobicContact CG-CB 3.9Å; W196-F450 HydrophobicContact CG-CD2 4.16Å; W196-F450 HydrophobicContact CZ2-CB 4.45Å; I415-F450 HydrophobicContact CG2-CE1 4.19Å; F450-Y452 VanDerWaalsContact C-N 3.33Å; F450-Y452 PolarHBondContact O-N 3.27Å; F450-V453 WeakPolarHBondContact O-CB 3.38Å; F450-V453 PolarHBondContact O-N 3.38Å; F450-V453 VanDerWaalsContact O-N 3.12Å; F450-R454 HydrophobicContact CD1-CG 3.92Å; F450-R454 HydrophobicContact CD2-CG 4.39Å; F450-R454 HydrophobicContact CE1-CG 3.51Å; F450-R454 HydrophobicContact CE2-CG 4.05Å; F450-R454 HydrophobicContact CG-CG 4.34Å; F450-R454 HydrophobicContact CZ-CG 3.58Å; F450-R454 PolarHBondContact O-N 3.39Å
451F96.3Very high94.6Very high0 Ų034 Ų340%016%0.16CC..Hα-helixtrans-51.8-48.1170.7173.7-110.4000111.8E166 S417 L419 E420 I446 T449 V453 R454 I455 Y462 I477 L480E166-F451 WeakPolarHBondContact OE1-CB 3.42Å; E166-F451 PolarHBondContact OE1-N 2.86Å; S417-F451 WeakPolarHBondContact OG-CB 3.4Å; L419-F451 HydrophobicContact CB-CB 4.06Å; L419-F451 HydrophobicContact CD2-CB 3.93Å; L419-F451 HydrophobicContact CD2-CG 4.49Å; E420-F451 HydrophobicContact CB-CE2 3.97Å; E420-F451 HydrophobicContact CB-CZ 4.44Å; I446-F451 HydrophobicContact CG2-CD1 4.3Å; T449-F451 VanDerWaalsContact C-N 3.29Å; T449-F451 WeakPolarHBondContact OG1-CB 3.37Å; F451-V453 VanDerWaalsContact C-N 3.32Å; F451-V453 PolarHBondContact O-N 3.05Å; F451-R454 PolarHBondContact O-N 3.27Å; F451-I455 HydrophobicContact CE1-CD1 4.39Å; F451-I455 HydrophobicContact CE2-CD1 4.27Å; F451-I455 HydrophobicContact CZ-CD1 3.8Å; F451-I455 WeakPolarHBondContact O-CB 3.27Å; F451-I455 WeakPolarHBondContact O-CG2 3.35Å; F451-I455 PolarHBondContact O-N 3.02Å; F451-Y462 HydrophobicContact CD2-CD1 4.03Å; F451-Y462 AromaticContact CD2-CE1 3.67Å; F451-Y462 HydrophobicContact CD2-CE1 3.67Å; F451-Y462 AromaticContact CE2-CD1 3.49Å; F451-Y462 HydrophobicContact CE2-CD1 3.49Å; F451-Y462 VanDerWaalsContact CE2-CD1 3.49Å; F451-Y462 AromaticContact CE2-CE1 3.63Å; F451-Y462 HydrophobicContact CE2-CE1 3.63Å; F451-Y462 HydrophobicContact CE2-CG 4.04Å; F451-I477 HydrophobicContact CD1-CD1 4.38Å; F451-I477 HydrophobicContact CE1-CD1 3.64Å; F451-I477 HydrophobicContact CZ-CD1 4.44Å; F451-L480 HydrophobicContact CE1-CD2 4.18Å; F451-L480 HydrophobicContact CZ-CD2 4.3Å
452Y96.2Very high94.4Very high26 Ų2634 Ų3410%0.10216%0.158CC..Hα-helixtrans-63.5-36.7178-176.5-100.9000113I446 K447 T449 F450 I455 T456 K470 I473 D474 I477I446-Y452 WeakPolarHBondContact O-CB 3.33Å; K447-Y452 HydrophobicContact CB-CD1 4.41Å; K447-Y452 HydrophobicContact CB-CG 4.41Å; K447-Y452 HydrophobicContact CG-CD2 4.07Å; K447-Y452 HydrophobicContact CG-CE1 4.47Å; K447-Y452 HydrophobicContact CG-CE2 3.9Å; K447-Y452 HydrophobicContact CG-CG 4.43Å; K447-Y452 VanDerWaalsContact O-CD1 3.28Å; K447-Y452 WeakPolarHBondContact O-CD1 3.33Å; T449-Y452 PolarHBondContact OG1-N 2.62Å; F450-Y452 VanDerWaalsContact C-N 3.33Å; F450-Y452 PolarHBondContact O-N 3.27Å; Y452-I455 WeakPolarHBondContact O-CG2 3.34Å; Y452-T456 WeakPolarHBondContact O-CB 3.49Å; Y452-T456 PolarHBondContact O-N 2.89Å; Y452-T456 PolarHBondContact O-OG1 3.22Å; Y452-K470 WeakPolarHBondContact OH-CE 3.24Å; Y452-I473 HydrophobicContact CE2-CG2 4.4Å; Y452-D474 WeakPolarHBondContact CE2-OD1 3.41Å; Y452-D474 PolarHBondContact OH-OD1 3.43Å; Y452-I477 HydrophobicContact CD2-CG1 4.16Å; Y452-I477 HydrophobicContact CE2-CG1 4.37Å
453V95.3Very high94.2Very high8 Ų837.3 Ų37.35%0.04819%0.192CC..Hα-helixtrans-64.2-47.8174.1179.10000110.3D192 Q195 W196 F450 F451 T456 R457D192-V453 HydrophobicContact CB-CG1 4Å; D192-V453 WeakPolarHBondContact OD1-CG1 3.47Å; Q195-V453 HydrophobicContact CB-CG1 4.4Å; Q195-V453 HydrophobicContact CG-CG1 4.38Å; Q195-V453 HydrophobicContact CG-CG2 4.24Å; W196-V453 HydrophobicContact CB-CG2 4.09Å; F450-V453 WeakPolarHBondContact O-CB 3.38Å; F450-V453 PolarHBondContact O-N 3.38Å; F450-V453 VanDerWaalsContact O-N 3.12Å; F451-V453 VanDerWaalsContact C-N 3.32Å; F451-V453 PolarHBondContact O-N 3.05Å; V453-T456 PolarHBondContact O-N 3.09Å; V453-R457 PolarHBondContact O-N 2.89Å
454R94.9Very high94Very high5 Ų537 Ų372%0.01919%0.191CC..Hα-helixtrans-72-37.4-176.4-68.7-58.3-60.3168.3-5.3113.5N189 D192 E414 I415 N416 F450 F451 T456 R457 F458 Y462N189-R454 PolarHBondContact ND2-NH1 3.48Å; D192-R454 IonicContact OD2-CZ 3.65Å; D192-R454 IonicContact OD2-NH1 3.69Å; D192-R454 PolarHBondContact OD2-NH1 3.47Å; E414-R454 IonicContact OE2-CZ 3.77Å; E414-R454 IonicContact OE2-NH1 2.8Å; E414-R454 IonicContact OE2-NH2 3.66Å; E414-R454 PolarHBondContact OE2-NH2 3.49Å; I415-R454 WeakPolarHBondContact O-CD 3.34Å; I415-R454 PolarHBondContact O-NE 3.43Å; I415-R454 VanDerWaalsContact O-NE 3.13Å; N416-R454 PolarHBondContact OD1-NE 3.09Å; N416-R454 PolarHBondContact OD1-NH2 3.42Å; F450-R454 HydrophobicContact CD1-CG 3.92Å; F450-R454 HydrophobicContact CD2-CG 4.39Å; F450-R454 HydrophobicContact CE1-CG 3.51Å; F450-R454 HydrophobicContact CE2-CG 4.05Å; F450-R454 HydrophobicContact CG-CG 4.34Å; F450-R454 HydrophobicContact CZ-CG 3.58Å; F450-R454 PolarHBondContact O-N 3.39Å; F451-R454 PolarHBondContact O-N 3.27Å; R454-T456 PolarHBondContact O-N 3.26Å; R454-R457 PolarHBondContact O-N 3.47Å; R454-F458 PolarHBondContact O-N 3.19Å; R454-Y462 HydrophobicContact CB-CE2 3.82Å; R454-Y462 WeakPolarHBondContact CB-OH 3.47Å
455I94.4Very high93.8Very high0 Ų036.5 Ų36.50%019%0.192CC..Hα-helixtrans-66-30.6175.9-161.7167.5000111.7F451 Y452 P459 Y462 L464 I473 F476 I477F451-I455 HydrophobicContact CE1-CD1 4.39Å; F451-I455 HydrophobicContact CE2-CD1 4.27Å; F451-I455 HydrophobicContact CZ-CD1 3.8Å; F451-I455 WeakPolarHBondContact O-CB 3.27Å; F451-I455 WeakPolarHBondContact O-CG2 3.35Å; F451-I455 PolarHBondContact O-N 3.02Å; Y452-I455 WeakPolarHBondContact O-CG2 3.34Å; I455-P459 VanDerWaalsContact O-CA 3.3Å; I455-P459 WeakPolarHBondContact O-CA 3.4Å; I455-P459 WeakPolarHBondContact O-CB 3.48Å; I455-P459 WeakPolarHBondContact O-CD 3.47Å; I455-Y462 HydrophobicContact CB-CD2 3.88Å; I455-Y462 HydrophobicContact CB-CE2 4.29Å; I455-Y462 HydrophobicContact CB-CG 4.41Å; I455-Y462 HydrophobicContact CD1-CG 4.37Å; I455-Y462 HydrophobicContact CG1-CD2 3.93Å; I455-Y462 HydrophobicContact CG1-CG 4.16Å; I455-L464 HydrophobicContact CD1-CD1 3.63Å; I455-L464 HydrophobicContact CD1-CG 4.38Å; I455-L464 HydrophobicContact CG1-CD1 3.72Å; I455-I473 HydrophobicContact CG2-CG2 3.91Å; I455-F476 HydrophobicContact CD1-CD1 3.92Å; I455-F476 HydrophobicContact CD1-CE1 3.69Å; I455-I477 HydrophobicContact CD1-CD1 4.43Å
456T93.7Very high93.3Very high54 Ų5443.4 Ų43.433%0.33122%0.224SC..Hα-helixtrans-71.3-35.7174.3-54.70000112.5Y452 V453 R454 I473Y452-T456 WeakPolarHBondContact O-CB 3.49Å; Y452-T456 PolarHBondContact O-N 2.89Å; Y452-T456 PolarHBondContact O-OG1 3.22Å; V453-T456 PolarHBondContact O-N 3.09Å; R454-T456 PolarHBondContact O-N 3.26Å; T456-I473 HydrophobicContact CG2-CD1 4.46Å
457R91.5Very high92.7Very high113 Ų11350.7 Ų50.743%0.42626%0.263SS..Hα-helixtrans-88.6-32.9-179.3-64.5-150.3-170.5162.12.9114.2D192 V453 R454D192-R457 WeakPolarHBondContact OD1-CD 3.26Å; D192-R457 IonicContact OD1-CZ 2.71Å; D192-R457 IonicContact OD1-NE 2.83Å; D192-R457 PolarHBondContact OD1-NE 3.34Å; D192-R457 IonicContact OD1-NH1 2.68Å; D192-R457 PolarHBondContact OD1-NH1 3.46Å; D192-R457 IonicContact OD1-NH2 3.45Å; D192-R457 PolarHBondContact OD1-NH2 2.98Å; D192-R457 IonicContact OD2-NH1 3.58Å; V453-R457 PolarHBondContact O-N 2.89Å; R454-R457 PolarHBondContact O-N 3.47Å
458F90.3Very high92.3Very high78 Ų7848.5 Ų48.534%0.34226%0.257SS..  trans-137.563.4-175.9-165.3-145.7000112.3R454 H460 F461R454-F458 PolarHBondContact O-N 3.19Å; F458-H460 VanDerWaalsContact C-N 3.28Å; F458-H460 PolarHBondContact O-N 3.39Å; F458-F461 HydrophobicContact CD1-CB 3.45Å; F458-F461 VanDerWaalsContact CD1-CB 3.45Å; F458-F461 HydrophobicContact CD1-CD2 4.27Å; F458-F461 HydrophobicContact CD1-CG 4.1Å; F458-F461 HydrophobicContact CE1-CB 3.62Å; F458-F461 AromaticContact CE1-CD2 3.89Å; F458-F461 HydrophobicContact CE1-CD2 3.89Å; F458-F461 HydrophobicContact CE1-CG 4.13Å; F458-F461 HydrophobicContact CG-CB 4.11Å; F458-F461 HydrophobicContact CZ-CB 4.39Å; F458-F461 WeakPolarHBondContact O-CB 3.37Å; F458-F461 PolarHBondContact O-N 3.42Å
459P92.6Very high92.1Very high9 Ų951.4 Ų51.46%0.05827%0.272CS..G310 helixtrans-58.7-34.4-173.619.4-31.5000114I455 F461 Y462 G463 L464 C468I455-P459 VanDerWaalsContact O-CA 3.3Å; I455-P459 WeakPolarHBondContact O-CA 3.4Å; I455-P459 WeakPolarHBondContact O-CB 3.48Å; I455-P459 WeakPolarHBondContact O-CD 3.47Å; P459-F461 PolarHBondContact O-N 2.64Å; P459-Y462 CarbonylContact O-C 3.54Å; P459-Y462 PolarHBondContact O-N 3.39Å; P459-G463 PolarHBondContact O-N 2.97Å; P459-L464 HydrophobicContact CB-CB 3.72Å; P459-L464 HydrophobicContact CB-CD1 4.39Å; P459-L464 WeakPolarHBondContact O-CB 3.25Å; P459-L464 PolarHBondContact O-N 3.38Å; P459-C468 WeakPolarHBondContact CB-SG 3.45Å
460H92.2Very high91.9Very high88 Ų8857.9 Ų57.941%0.40730%0.3SS..G310 helixtrans-59.3-33-180177.8-85.5000113.5F458 Y462 G463 L464F458-H460 VanDerWaalsContact C-N 3.28Å; F458-H460 PolarHBondContact O-N 3.39Å; H460-Y462 PolarHBondContact O-N 3.39Å; H460-G463 PolarHBondContact O-N 3.24Å; H460-L464 VanDerWaalsContact CA-O 3.22Å; H460-L464 WeakPolarHBondContact CA-O 3.32Å; H460-L464 PolarHBondContact N-O 2.95Å
461F89.3Confident91.7Very high108 Ų10861.1 Ų61.147%0.47433%0.327SS..G310 helixtrans-61.5-33.7177.1-173.8-93.2000112.4N416 F458 P459 G463N416-F461 HydrophobicContact CB-CD1 4.17Å; N416-F461 HydrophobicContact CB-CE1 3.67Å; N416-F461 HydrophobicContact CB-CE2 4.44Å; N416-F461 HydrophobicContact CB-CZ 3.83Å; F458-F461 HydrophobicContact CD1-CB 3.45Å; F458-F461 VanDerWaalsContact CD1-CB 3.45Å; F458-F461 HydrophobicContact CD1-CD2 4.27Å; F458-F461 HydrophobicContact CD1-CG 4.1Å; F458-F461 HydrophobicContact CE1-CB 3.62Å; F458-F461 AromaticContact CE1-CD2 3.89Å; F458-F461 HydrophobicContact CE1-CD2 3.89Å; F458-F461 HydrophobicContact CE1-CG 4.13Å; F458-F461 HydrophobicContact CG-CB 4.11Å; F458-F461 HydrophobicContact CZ-CB 4.39Å; F458-F461 WeakPolarHBondContact O-CB 3.37Å; F458-F461 PolarHBondContact O-N 3.42Å; P459-F461 PolarHBondContact O-N 2.64Å; F461-G463 VanDerWaalsContact C-N 3.35Å
462Y91.2Very high91.7Very high13 Ų1366.4 Ų66.45%0.05135%0.348CS..G310 helixtrans-97.520.2-179.9-57.3-75.7000112.4S417 F451 R454 I455 P459 H460 L464S417-Y462 PolarHBondContact N-OH 2.9Å; S417-Y462 PolarHBondContact O-OH 2.86Å; S417-Y462 VanDerWaalsContact O-OH 3.08Å; F451-Y462 HydrophobicContact CD2-CD1 4.03Å; F451-Y462 AromaticContact CD2-CE1 3.67Å; F451-Y462 HydrophobicContact CD2-CE1 3.67Å; F451-Y462 AromaticContact CE2-CD1 3.49Å; F451-Y462 HydrophobicContact CE2-CD1 3.49Å; F451-Y462 VanDerWaalsContact CE2-CD1 3.49Å; F451-Y462 AromaticContact CE2-CE1 3.63Å; F451-Y462 HydrophobicContact CE2-CE1 3.63Å; F451-Y462 HydrophobicContact CE2-CG 4.04Å; R454-Y462 HydrophobicContact CB-CE2 3.82Å; R454-Y462 WeakPolarHBondContact CB-OH 3.47Å; I455-Y462 HydrophobicContact CB-CD2 3.88Å; I455-Y462 HydrophobicContact CB-CE2 4.29Å; I455-Y462 HydrophobicContact CB-CG 4.41Å; I455-Y462 HydrophobicContact CD1-CG 4.37Å; I455-Y462 HydrophobicContact CG1-CD2 3.93Å; I455-Y462 HydrophobicContact CG1-CG 4.16Å; P459-Y462 CarbonylContact O-C 3.54Å; P459-Y462 PolarHBondContact O-N 3.39Å; H460-Y462 PolarHBondContact O-N 3.39Å; Y462-L464 VanDerWaalsContact C-N 3.32Å; Y462-L464 PolarHBondContact O-N 3.22Å
463G91.9Very high91.6Very high70 Ų7065.3 Ų65.372%0.72234%0.344SS*.THydrogen-bonded Turntrans7710.4175.400000115.6P459 H460 F461P459-G463 PolarHBondContact O-N 2.97Å; H460-G463 PolarHBondContact O-N 3.24Å; F461-G463 VanDerWaalsContact C-N 3.35Å
464L92.7Very high91.5Very high10 Ų1066.5 Ų66.55%0.05235%0.35CS..SBendtrans-91.8157.9175.5-60.3-174.5000112.1I455 P459 H460 Y462 Y472 I473 F476I455-L464 HydrophobicContact CD1-CD1 3.63Å; I455-L464 HydrophobicContact CD1-CG 4.38Å; I455-L464 HydrophobicContact CG1-CD1 3.72Å; P459-L464 HydrophobicContact CB-CB 3.72Å; P459-L464 HydrophobicContact CB-CD1 4.39Å; P459-L464 WeakPolarHBondContact O-CB 3.25Å; P459-L464 PolarHBondContact O-N 3.38Å; H460-L464 VanDerWaalsContact CA-O 3.22Å; H460-L464 WeakPolarHBondContact CA-O 3.32Å; H460-L464 PolarHBondContact N-O 2.95Å; Y462-L464 VanDerWaalsContact C-N 3.32Å; Y462-L464 PolarHBondContact O-N 3.22Å; L464-Y472 HydrophobicContact CD2-CE1 4.21Å; L464-I473 HydrophobicContact CD1-CG1 4.38Å; L464-F476 HydrophobicContact CD1-CD1 3.97Å; L464-F476 HydrophobicContact CD1-CE1 4.33Å; L464-F476 HydrophobicContact CD1-CG 4.22Å; L464-F476 HydrophobicContact CD2-CD1 4.14Å; L464-F476 HydrophobicContact CD2-CD2 3.64Å; L464-F476 HydrophobicContact CD2-CE1 4.23Å; L464-F476 HydrophobicContact CD2-CE2 3.72Å; L464-F476 HydrophobicContact CD2-CG 3.84Å; L464-F476 HydrophobicContact CD2-CZ 4.02Å
465P91.6Very high91.6Very high72 Ų7271.2 Ų71.247%0.46837%0.372SS..  trans-61.5143.2173.3-20.833.3000112.3N467 C468P465-N467 VanDerWaalsContact C-N 3.28Å; P465-N467 PolarHBondContact O-N 2.97Å; P465-C468 PolarHBondContact O-N 3.45Å; P465-C468 PolarHBondContact O-SG 3.18Å
466E84.4Confident91.6Very high145 Ų14573.7 Ų73.768%0.67838%0.383SS*.THydrogen-bonded Turntrans-59.8-33.6-175.1-167.6174.7-173.400114.1
467N83.9Confident91.7Very high153 Ų15371.1 Ų71.182%0.81837%0.367SS*.THydrogen-bonded Turntrans-105.630.2-176.6-62.4-34.4000113.1P465P465-N467 VanDerWaalsContact C-N 3.28Å; P465-N467 PolarHBondContact O-N 2.97Å
468C87.7Confident91.9Very high26 Ų2669.1 Ų69.118%0.17636%0.362CS..  trans-70138.6175.459.80000111.2P459 P465 Y472 I473P459-C468 WeakPolarHBondContact CB-SG 3.45Å; P465-C468 PolarHBondContact O-N 3.45Å; P465-C468 PolarHBondContact O-SG 3.18Å; C468-Y472 HydrophobicContact CB-CD1 3.55Å; C468-Y472 HydrophobicContact CB-CE1 4.23Å; C468-Y472 HydrophobicContact CB-CG 4.13Å; C468-I473 HydrophobicContact CB-CG1 4.49Å; C468-I473 VanDerWaalsContact SG-CG1 3.57Å
469D91.6Very high92.1Very high102 Ų10269.6 Ų69.655%0.54537%0.368SS..  trans-77.4167.4174.465.713.5000111.5A471 Y472 I473D469-A471 PolarHBondContact O-N 3.05Å; D469-A471 PolarHBondContact OD1-N 2.93Å; D469-Y472 PolarHBondContact O-N 3.19Å; D469-Y472 WeakPolarHBondContact OD1-CB 3.05Å; D469-Y472 PolarHBondContact OD1-N 3.34Å; D469-I473 WeakPolarHBondContact O-CG1 3.32Å; D469-I473 PolarHBondContact O-N 2.99Å
470K91.7Very high92.2Very high135 Ų13569.9 Ų69.959%0.58737%0.37SS*.Hα-helixtrans-60.9-32179.5-173.3177.7178.3-178.30112.4Y452 I473 D474Y452-K470 WeakPolarHBondContact OH-CE 3.24Å; K470-I473 PolarHBondContact O-N 3.46Å; K470-D474 WeakPolarHBondContact O-CB 3.4Å; K470-D474 PolarHBondContact O-N 2.91Å
471A93.5Very high92.3Very high68 Ų6865.7 Ų65.756%0.56235%0.35SS*.Hα-helixtrans-66.5-41.9179.100000111.6D469 D474 H475D469-A471 PolarHBondContact O-N 3.05Å; D469-A471 PolarHBondContact OD1-N 2.93Å; A471-D474 PolarHBondContact O-N 2.98Å; A471-H475 WeakPolarHBondContact O-CB 3.46Å; A471-H475 PolarHBondContact O-N 3.17Å
472Y94.7Very high92.6Very high112 Ų11263 Ų6344%0.43934%0.34SS..Hα-helixtrans-63.2-42.4174.4-175.9-89000111.8L464 C468 D469 H475 F476L464-Y472 HydrophobicContact CD2-CE1 4.21Å; C468-Y472 HydrophobicContact CB-CD1 3.55Å; C468-Y472 HydrophobicContact CB-CE1 4.23Å; C468-Y472 HydrophobicContact CB-CG 4.13Å; D469-Y472 PolarHBondContact O-N 3.19Å; D469-Y472 WeakPolarHBondContact OD1-CB 3.05Å; D469-Y472 PolarHBondContact OD1-N 3.34Å; Y472-H475 PolarHBondContact O-N 3.19Å; Y472-F476 WeakPolarHBondContact O-CB 3.41Å; Y472-F476 PolarHBondContact O-N 2.78Å
473I94.1Very high92.8Very high3 Ų368.6 Ų68.62%0.01537%0.365CS..Hα-helixtrans-63.2-47.2176.1-63.3178.3000110.7Y452 I455 T456 L464 C468 D469 K470 H475 F476 I477Y452-I473 HydrophobicContact CE2-CG2 4.4Å; I455-I473 HydrophobicContact CG2-CG2 3.91Å; T456-I473 HydrophobicContact CG2-CD1 4.46Å; L464-I473 HydrophobicContact CD1-CG1 4.38Å; C468-I473 HydrophobicContact CB-CG1 4.49Å; C468-I473 VanDerWaalsContact SG-CG1 3.57Å; D469-I473 WeakPolarHBondContact O-CG1 3.32Å; D469-I473 PolarHBondContact O-N 2.99Å; K470-I473 PolarHBondContact O-N 3.46Å; I473-H475 VanDerWaalsContact C-N 3.29Å; I473-H475 PolarHBondContact O-N 2.56Å; I473-F476 WeakPolarHBondContact O-CB 3.38Å; I473-F476 PolarHBondContact O-N 2.66Å; I473-I477 HydrophobicContact CG2-CG1 4.35Å; I473-I477 VanDerWaalsContact O-CG1 3.3Å; I473-I477 WeakPolarHBondContact O-CG1 3.47Å; I473-I477 PolarHBondContact O-N 3.29Å
474D95Very high92.9Very high32 Ų3266 Ų6617%0.17133%0.334CS..Hα-helixtrans-60.7-39.5178.4-86.98.9000111.8K447 Y452 K470 A471 I477 Q478K447-D474 IonicContact NZ-OD1 2.84Å; K447-D474 IonicContact NZ-OD2 2.55Å; K447-D474 PolarHBondContact NZ-OD2 3.46Å; Y452-D474 WeakPolarHBondContact CE2-OD1 3.41Å; Y452-D474 PolarHBondContact OH-OD1 3.43Å; K470-D474 WeakPolarHBondContact O-CB 3.4Å; K470-D474 PolarHBondContact O-N 2.91Å; A471-D474 PolarHBondContact O-N 2.98Å; D474-I477 PolarHBondContact O-N 3.19Å; D474-Q478 WeakPolarHBondContact O-CG 3.48Å; D474-Q478 PolarHBondContact O-N 2.89Å
475H95.2Very high93Very high104 Ų10465.5 Ų65.548%0.48133%0.331SS..Hα-helixtrans-66.1-42.8174.4-170.356.7000112.2A471 Y472 I473 I477 Q478 D479A471-H475 WeakPolarHBondContact O-CB 3.46Å; A471-H475 PolarHBondContact O-N 3.17Å; Y472-H475 PolarHBondContact O-N 3.19Å; I473-H475 VanDerWaalsContact C-N 3.29Å; I473-H475 PolarHBondContact O-N 2.56Å; H475-I477 VanDerWaalsContact C-N 3.32Å; H475-I477 PolarHBondContact O-N 3.12Å; H475-Q478 WeakPolarHBondContact O-CB 3.14Å; H475-Q478 PolarHBondContact O-N 2.95Å; H475-D479 IonicContact NE2-OD2 2.86Å; H475-D479 PolarHBondContact O-N 2.97Å
476F95.1Very high93.2Very high53 Ų5367.3 Ų67.323%0.23233%0.332CS..Hα-helixtrans-59.3-42.5174.2173.2-97.4000112.2I455 L464 Y472 I473 Q478 D479 L480I455-F476 HydrophobicContact CD1-CD1 3.92Å; I455-F476 HydrophobicContact CD1-CE1 3.69Å; L464-F476 HydrophobicContact CD1-CD1 3.97Å; L464-F476 HydrophobicContact CD1-CE1 4.33Å; L464-F476 HydrophobicContact CD1-CG 4.22Å; L464-F476 HydrophobicContact CD2-CD1 4.14Å; L464-F476 HydrophobicContact CD2-CD2 3.64Å; L464-F476 HydrophobicContact CD2-CE1 4.23Å; L464-F476 HydrophobicContact CD2-CE2 3.72Å; L464-F476 HydrophobicContact CD2-CG 3.84Å; L464-F476 HydrophobicContact CD2-CZ 4.02Å; Y472-F476 WeakPolarHBondContact O-CB 3.41Å; Y472-F476 PolarHBondContact O-N 2.78Å; I473-F476 WeakPolarHBondContact O-CB 3.38Å; I473-F476 PolarHBondContact O-N 2.66Å; F476-Q478 VanDerWaalsContact C-N 3.34Å; F476-D479 PolarHBondContact O-N 3.04Å; F476-L480 HydrophobicContact CE1-CD2 4.3Å; F476-L480 VanDerWaalsContact O-CB 3.31Å; F476-L480 WeakPolarHBondContact O-CB 3.27Å; F476-L480 PolarHBondContact O-N 2.86Å
477I95.6Very high93.6Very high0 Ų063.5 Ų63.50%032%0.316CS..Hα-helixtrans-64.7-39.1176.6-67-65000111.2L443 I446 F451 Y452 I455 I473 D474 H475 L480 C481L443-I477 HydrophobicContact CD2-CG2 4.46Å; I446-I477 HydrophobicContact CB-CG2 4.21Å; I446-I477 HydrophobicContact CG2-CD1 4.09Å; I446-I477 HydrophobicContact CG2-CG2 3.68Å; F451-I477 HydrophobicContact CD1-CD1 4.38Å; F451-I477 HydrophobicContact CE1-CD1 3.64Å; F451-I477 HydrophobicContact CZ-CD1 4.44Å; Y452-I477 HydrophobicContact CD2-CG1 4.16Å; Y452-I477 HydrophobicContact CE2-CG1 4.37Å; I455-I477 HydrophobicContact CD1-CD1 4.43Å; I473-I477 HydrophobicContact CG2-CG1 4.35Å; I473-I477 VanDerWaalsContact O-CG1 3.3Å; I473-I477 WeakPolarHBondContact O-CG1 3.47Å; I473-I477 PolarHBondContact O-N 3.29Å; D474-I477 PolarHBondContact O-N 3.19Å; H475-I477 VanDerWaalsContact C-N 3.32Å; H475-I477 PolarHBondContact O-N 3.12Å; I477-L480 PolarHBondContact O-N 2.77Å; I477-C481 VanDerWaalsContact O-CB 3.28Å; I477-C481 WeakPolarHBondContact O-CB 3.44Å; I477-C481 PolarHBondContact O-N 3.11Å
478Q95.8Very high94.1Very high71 Ų7156.2 Ų56.233%0.33228%0.277SS..Hα-helixtrans-60.9-49.3173.8-73.1173300111.8L443 D474 H475 F476 L480 C481 I482L443-Q478 HydrophobicContact CD1-CG 3.88Å; L443-Q478 HydrophobicContact CD2-CB 4.32Å; L443-Q478 HydrophobicContact CD2-CG 3.82Å; D474-Q478 WeakPolarHBondContact O-CG 3.48Å; D474-Q478 PolarHBondContact O-N 2.89Å; H475-Q478 WeakPolarHBondContact O-CB 3.14Å; H475-Q478 PolarHBondContact O-N 2.95Å; F476-Q478 VanDerWaalsContact C-N 3.34Å; Q478-L480 PolarHBondContact O-N 3.09Å; Q478-C481 PolarHBondContact O-N 2.75Å; Q478-I482 WeakPolarHBondContact O-CG1 3.27Å; Q478-I482 PolarHBondContact O-N 3.05Å
479D95.2Very high94.4Very high87 Ų8758 Ų5847%0.46528%0.282SS..Hα-helixtrans-62.3-42.2178.5-78.1-12000112.1H475 F476 I482 K483H475-D479 IonicContact NE2-OD2 2.86Å; H475-D479 PolarHBondContact O-N 2.97Å; F476-D479 PolarHBondContact O-N 3.04Å; D479-I482 PolarHBondContact O-N 3.15Å; D479-K483 VanDerWaalsContact O-CB 3.23Å; D479-K483 WeakPolarHBondContact O-CB 3.45Å; D479-K483 PolarHBondContact O-N 2.55Å
480L94.4Very high94.4Very high16 Ų1659.2 Ų59.28%0.08429%0.289CS..Hα-helixtrans-59.9-47.6175.1-179.762.8000110.8L423 F451 F476 I477 Q478 K483 E484L423-L480 HydrophobicContact CD2-CD1 4.25Å; L423-L480 HydrophobicContact CD2-CD2 3.67Å; L423-L480 HydrophobicContact CD2-CG 3.82Å; F451-L480 HydrophobicContact CE1-CD2 4.18Å; F451-L480 HydrophobicContact CZ-CD2 4.3Å; F476-L480 HydrophobicContact CE1-CD2 4.3Å; F476-L480 VanDerWaalsContact O-CB 3.31Å; F476-L480 WeakPolarHBondContact O-CB 3.27Å; F476-L480 PolarHBondContact O-N 2.86Å; I477-L480 PolarHBondContact O-N 2.77Å; Q478-L480 PolarHBondContact O-N 3.09Å; L480-K483 WeakPolarHBondContact O-CB 3.5Å; L480-K483 PolarHBondContact O-N 2.8Å; L480-E484 HydrophobicContact CD1-CG 4.3Å; L480-E484 WeakPolarHBondContact O-CG 3.49Å; L480-E484 PolarHBondContact O-N 3.11Å
481C95.1Very high94.3Very high0 Ų054.5 Ų54.50%027%0.27CS..Hα-helixtrans-61.1-48.5178.9-169.80000111.9F439 A442 L443 I446 I477 Q478 K483 E484 I485F439-C481 HydrophobicContact CE2-CB 4.07Å; A442-C481 VanDerWaalsContact CB-SG 3.54Å; L443-C481 HydrophobicContact CD2-CB 3.8Å; I446-C481 HydrophobicContact CD1-CB 3.87Å; I477-C481 VanDerWaalsContact O-CB 3.28Å; I477-C481 WeakPolarHBondContact O-CB 3.44Å; I477-C481 PolarHBondContact O-N 3.11Å; Q478-C481 PolarHBondContact O-N 2.75Å; C481-K483 VanDerWaalsContact C-N 3.31Å; C481-K483 PolarHBondContact O-N 3.06Å; C481-E484 PolarHBondContact O-N 3.22Å; C481-I485 WeakPolarHBondContact O-CG1 3.28Å; C481-I485 PolarHBondContact O-N 2.65Å
482I94.4Very high94.2Very high51 Ų5155.6 Ų55.626%0.26226%0.262SS..Hα-helixtrans-60.1-42.8177.1-67.5173.8000110.8F439 Q478 D479 K486F439-I482 HydrophobicContact CD2-CG1 4.24Å; F439-I482 HydrophobicContact CE1-CG1 4.5Å; F439-I482 HydrophobicContact CE2-CB 4.42Å; F439-I482 HydrophobicContact CE2-CD1 4.13Å; F439-I482 HydrophobicContact CE2-CG1 3.27Å; F439-I482 HydrophobicContact CZ-CD1 3.78Å; F439-I482 HydrophobicContact CZ-CG1 3.43Å; F439-I482 VanDerWaalsContact CZ-CG1 3.43Å; Q478-I482 WeakPolarHBondContact O-CG1 3.27Å; Q478-I482 PolarHBondContact O-N 3.05Å; D479-I482 PolarHBondContact O-N 3.15Å; I482-K486 HydrophobicContact CG2-CD 3.87Å; I482-K486 HydrophobicContact CG2-CG 4.38Å; I482-K486 WeakPolarHBondContact O-CB 3.49Å; I482-K486 VanDerWaalsContact O-CG 3.3Å; I482-K486 WeakPolarHBondContact O-CG 3.11Å; I482-K486 PolarHBondContact O-N 2.85Å
483K95Very high94.1Very high131 Ų13150.3 Ų50.357%0.5724%0.242SC*.Hα-helixtrans-60.8-47.5178.3177.7-166.5166.3-135.90111.2D479 L480 C481 K486 N487D479-K483 VanDerWaalsContact O-CB 3.23Å; D479-K483 WeakPolarHBondContact O-CB 3.45Å; D479-K483 PolarHBondContact O-N 2.55Å; L480-K483 WeakPolarHBondContact O-CB 3.5Å; L480-K483 PolarHBondContact O-N 2.8Å; C481-K483 VanDerWaalsContact C-N 3.31Å; C481-K483 PolarHBondContact O-N 3.06Å; K483-K486 PolarHBondContact O-N 3.49Å; K483-N487 WeakPolarHBondContact O-CB 3Å; K483-N487 PolarHBondContact O-N 3.11Å
484E94.9Very high94.1Very high15 Ų1550.3 Ų50.37%0.0724%0.242CC..Hα-helixtrans-69-40-179.2-65.1-48.2133.500112.3L423 T424 L427 L480 C481 N487 L488L423-E484 HydrophobicContact CD2-CG 4.12Å; L423-E484 HydrophobicContact CG-CG 4.42Å; T424-E484 PolarHBondContact OG1-OE2 3.4Å; L427-E484 HydrophobicContact CD2-CB 4.08Å; L480-E484 HydrophobicContact CD1-CG 4.3Å; L480-E484 WeakPolarHBondContact O-CG 3.49Å; L480-E484 PolarHBondContact O-N 3.11Å; C481-E484 PolarHBondContact O-N 3.22Å; E484-N487 WeakPolarHBondContact O-CB 3.46Å; E484-N487 PolarHBondContact O-N 3.45Å; E484-L488 WeakPolarHBondContact O-CG 3.16Å; E484-L488 PolarHBondContact O-N 3.04Å
485I95.3Very high94.1Very high0 Ų053.3 Ų53.30%026%0.258CS..Hα-helixtrans-61.8-46174-67.9163.3000110.8L427 F439 A442 C481 N487 L488 Q489 Y496 I503L427-I485 HydrophobicContact CD2-CG1 4.08Å; F439-I485 HydrophobicContact CD2-CD1 3.86Å; F439-I485 HydrophobicContact CE2-CD1 4.35Å; A442-I485 HydrophobicContact CB-CD1 4.21Å; C481-I485 WeakPolarHBondContact O-CG1 3.28Å; C481-I485 PolarHBondContact O-N 2.65Å; I485-N487 VanDerWaalsContact C-N 3.29Å; I485-N487 PolarHBondContact O-N 3.25Å; I485-L488 PolarHBondContact O-N 3.2Å; I485-Q489 WeakPolarHBondContact O-CB 3.38Å; I485-Q489 PolarHBondContact O-N 3.41Å; I485-Y496 HydrophobicContact CG2-CD1 3.94Å; I485-Y496 HydrophobicContact CG2-CD2 4.12Å; I485-Y496 HydrophobicContact CG2-CG 3.66Å; I485-I503 HydrophobicContact CD1-CD1 3.55Å; I485-I503 HydrophobicContact CG1-CD1 4.2Å
486K94.5Very high94Very high110 Ų11049.8 Ų49.848%0.47824%0.24SC..Hα-helixtrans-63.7-35175.9-75.3178.6178.8173.90112.2I482 K483 Q489 N490I482-K486 HydrophobicContact CG2-CD 3.87Å; I482-K486 HydrophobicContact CG2-CG 4.38Å; I482-K486 WeakPolarHBondContact O-CB 3.49Å; I482-K486 VanDerWaalsContact O-CG 3.3Å; I482-K486 WeakPolarHBondContact O-CG 3.11Å; I482-K486 PolarHBondContact O-N 2.85Å; K483-K486 PolarHBondContact O-N 3.49Å; K486-Q489 PolarHBondContact O-N 3.27Å; K486-N490 WeakPolarHBondContact O-CB 3.3Å; K486-N490 PolarHBondContact O-N 3.28Å; K486-N490 PolarHBondContact O-ND2 2.96Å
487N93.5Very high93.9Very high65 Ų6550.3 Ų50.335%0.34825%0.246SC..Hα-helixtrans-62.4-48.6173.5-171.629.2000110.8K483 E484 I485 Q489 N490 L491K483-N487 WeakPolarHBondContact O-CB 3Å; K483-N487 PolarHBondContact O-N 3.11Å; E484-N487 WeakPolarHBondContact O-CB 3.46Å; E484-N487 PolarHBondContact O-N 3.45Å; I485-N487 VanDerWaalsContact C-N 3.29Å; I485-N487 PolarHBondContact O-N 3.25Å; N487-Q489 VanDerWaalsContact C-N 3.31Å; N487-Q489 PolarHBondContact O-N 2.81Å; N487-N490 PolarHBondContact O-N 3.5Å; N487-L491 WeakPolarHBondContact O-CG 3.07Å; N487-L491 PolarHBondContact O-N 2.7Å; N487-L491 VanDerWaalsContact O-N 3.08Å
488L94.2Very high93.6Very high0 Ų054.6 Ų54.60%028%0.276CS..Hα-helixtrans-60.6-38.5175-68.3174.2000112.7T424 L427 L428 I431 E484 I485 L491 K492 L493 V494T424-L488 HydrophobicContact CG2-CD2 3.69Å; T424-L488 HydrophobicContact CG2-CG 4.1Å; L427-L488 HydrophobicContact CG-CD1 4.5Å; L428-L488 HydrophobicContact CB-CD1 4.04Å; L428-L488 HydrophobicContact CB-CD2 3.99Å; L428-L488 HydrophobicContact CD1-CD1 4.31Å; L428-L488 HydrophobicContact CD1-CD2 4.18Å; L428-L488 HydrophobicContact CD2-CD2 4.24Å; L428-L488 HydrophobicContact CG-CD2 4.37Å; I431-L488 HydrophobicContact CD1-CD1 4.1Å; E484-L488 WeakPolarHBondContact O-CG 3.16Å; E484-L488 PolarHBondContact O-N 3.04Å; I485-L488 PolarHBondContact O-N 3.2Å; L488-L491 CarbonylContact O-C 3.23Å; L488-L491 PolarHBondContact O-N 2.93Å; L488-K492 PolarHBondContact O-N 3.18Å; L488-L493 HydrophobicContact CD2-CD1 4.34Å; L488-L493 PolarHBondContact O-N 3.39Å; L488-V494 HydrophobicContact CB-CB 4.13Å; L488-V494 HydrophobicContact CB-CG2 3.86Å; L488-V494 HydrophobicContact CD1-CG2 4.18Å
489Q93.9Very high93.3Very high62 Ų6259.8 Ų59.829%0.2930%0.3SS..Hα-helixtrans-65.8-42.6175-172.8173.838.100112.2I485 K486 N487 L491 K492 V494 Y496I485-Q489 WeakPolarHBondContact O-CB 3.38Å; I485-Q489 PolarHBondContact O-N 3.41Å; K486-Q489 PolarHBondContact O-N 3.27Å; N487-Q489 VanDerWaalsContact C-N 3.31Å; N487-Q489 PolarHBondContact O-N 2.81Å; Q489-L491 PolarHBondContact O-N 3.24Å; Q489-K492 WeakPolarHBondContact O-CA 3.03Å; Q489-K492 PolarHBondContact O-N 3.03Å; Q489-V494 WeakPolarHBondContact CA-O 3.48Å; Q489-Y496 PolarHBondContact NE2-O 3.37Å
490N91.4Very high93.1Very high128 Ų12859 Ų5968%0.68430%0.299SS*.Hα-helixtrans-61.8-31.6175-71.5-25.9000112.3K486 N487 K492K486-N490 WeakPolarHBondContact O-CB 3.3Å; K486-N490 PolarHBondContact O-N 3.28Å; K486-N490 PolarHBondContact O-ND2 2.96Å; N487-N490 PolarHBondContact O-N 3.5Å; N490-K492 PolarHBondContact O-N 3.37Å
491L89.8Confident93Very high37 Ų3760.1 Ų60.119%0.19431%0.308CS..THydrogen-bonded Turntrans-80.61.3173.7-61.3176.1000113.2N487 L488 Q489 L493 L519 M523N487-L491 WeakPolarHBondContact O-CG 3.07Å; N487-L491 PolarHBondContact O-N 2.7Å; N487-L491 VanDerWaalsContact O-N 3.08Å; L488-L491 CarbonylContact O-C 3.23Å; L488-L491 PolarHBondContact O-N 2.93Å; Q489-L491 PolarHBondContact O-N 3.24Å; L491-L493 HydrophobicContact CB-CD1 4.14Å; L491-L493 HydrophobicContact CB-CG 4.01Å; L491-L493 PolarHBondContact O-N 2.8Å; L491-L519 HydrophobicContact CD1-CD1 4.15Å; L491-L519 HydrophobicContact CD1-CD2 3.8Å; L491-L519 HydrophobicContact CD1-CG 4.36Å; L491-M523 HydrophobicContact CD2-CE 3.56Å; L491-M523 HydrophobicContact CD2-SD 3.74Å
492K90.4Very high93Very high91 Ų9165.1 Ų65.140%0.39633%0.331SS..THydrogen-bonded Turntrans59.925.7-176.9-54.8175.4179.1161.70114L488 Q489 N490 T506 L508 S648 T649L488-K492 PolarHBondContact O-N 3.18Å; Q489-K492 WeakPolarHBondContact O-CA 3.03Å; Q489-K492 PolarHBondContact O-N 3.03Å; N490-K492 PolarHBondContact O-N 3.37Å; K492-T506 WeakPolarHBondContact O-CG2 3.1Å; K492-T506 PolarHBondContact O-OG1 3.25Å; K492-L508 HydrophobicContact CB-CD1 4.18Å; K492-S648 PolarHBondContact NZ-O 2.76Å; K492-T649 PolarHBondContact NZ-O 3.44Å
493L92.5Very high93Very high0 Ų062.7 Ų62.70%032%0.319CS..SBendtrans-91.7-19.6-180-60.3-177.3000112.8L428 L488 L491 T506 L508 S509 I512 L519 F522L428-L493 HydrophobicContact CD1-CB 4Å; L428-L493 HydrophobicContact CD2-CB 4.4Å; L428-L493 HydrophobicContact CD2-CD1 3.77Å; L488-L493 HydrophobicContact CD2-CD1 4.34Å; L488-L493 PolarHBondContact O-N 3.39Å; L491-L493 HydrophobicContact CB-CD1 4.14Å; L491-L493 HydrophobicContact CB-CG 4.01Å; L491-L493 PolarHBondContact O-N 2.8Å; L493-T506 VanDerWaalsContact C-OG1 3.3Å; L493-T506 WeakPolarHBondContact CA-OG1 3.49Å; L493-T506 PolarHBondContact O-N 3.34Å; L493-T506 PolarHBondContact O-OG1 3.06Å; L493-L508 HydrophobicContact CD2-CB 3.85Å; L493-S509 VanDerWaalsContact O-CB 3.25Å; L493-S509 WeakPolarHBondContact O-CB 3.49Å; L493-S509 PolarHBondContact O-OG 3.18Å; L493-I512 HydrophobicContact CD1-CD1 4.01Å; L493-I512 HydrophobicContact CD2-CD1 3.52Å; L493-I512 HydrophobicContact CG-CD1 4.44Å; L493-L519 HydrophobicContact CD1-CD1 3.39Å; L493-F522 HydrophobicContact CD2-CD1 4.42Å; L493-F522 HydrophobicContact CD2-CE1 3.9Å; L493-F522 HydrophobicContact CD2-CZ 4.22Å
494V94.8Very high93Very high3 Ų359.5 Ų59.52%0.01831%0.308CS..EExtended strand (participates in β ladder)trans-139.1140.2-178.2172.40000108.6L428 I431 L488 Q489 I503 N504L428-V494 HydrophobicContact CD1-CG2 3.71Å; I431-V494 HydrophobicContact CD1-CG2 3.99Å; I431-V494 HydrophobicContact CG2-CG2 4.21Å; L488-V494 HydrophobicContact CB-CB 4.13Å; L488-V494 HydrophobicContact CB-CG2 3.86Å; L488-V494 HydrophobicContact CD1-CG2 4.18Å; Q489-V494 WeakPolarHBondContact CA-O 3.48Å; V494-I503 HydrophobicContact CG1-CG2 3.35Å; V494-N504 CarbonylContact C-O 3.54Å; V494-N504 WeakPolarHBondContact CA-O 3.1Å
495D94.2Very high93Very high96 Ų9659.5 Ų59.551%0.51331%0.309SS..EExtended strand (participates in β ladder)trans-100.3111.2165.1-17220.1000109.3N504D495-N504 PolarHBondContact N-O 2.63Å; D495-N504 PolarHBondContact O-N 3.18Å
496Y94.8Very high92.9Very high29 Ų2961.2 Ų61.211%0.11432%0.319CS..EExtended strand (participates in β ladder)trans-108.9114178.6173.1-123.1000109.8F439 I485 Q489 Q502 I503F439-Y496 HydrophobicContact CB-CE2 4.45Å; I485-Y496 HydrophobicContact CG2-CD1 3.94Å; I485-Y496 HydrophobicContact CG2-CD2 4.12Å; I485-Y496 HydrophobicContact CG2-CG 3.66Å; Q489-Y496 PolarHBondContact NE2-O 3.37Å; Y496-Q502 WeakPolarHBondContact CD2-O 3.15Å; Y496-I503 HydrophobicContact CD2-CD1 4.49Å; Y496-I503 HydrophobicContact CD2-CG1 3.62Å; Y496-I503 HydrophobicContact CE2-CG1 4.12Å
497N92.7Very high92.7Very high64 Ų6459.2 Ų59.234%0.34231%0.314SS..  trans-88.8110.2173.9-176.9-28.7000109.1E499 T500 S501 Q502N497-E499 VanDerWaalsContact C-N 3.25Å; N497-E499 PolarHBondContact O-N 2.86Å; N497-E499 WeakPolarHBondContact OD1-CA 3.5Å; N497-E499 WeakPolarHBondContact OD1-CB 3.26Å; N497-E499 PolarHBondContact OD1-N 3.03Å; N497-T500 WeakPolarHBondContact CB-OG1 3.46Å; N497-T500 VanDerWaalsContact CG-OG1 3.24Å; N497-T500 PolarHBondContact OD1-N 3.4Å; N497-T500 VanDerWaalsContact OD1-N 3.15Å; N497-S501 WeakPolarHBondContact O-CA 3.47Å; N497-S501 PolarHBondContact O-N 3.45Å; N497-Q502 PolarHBondContact N-O 3.18Å
498S88Confident92.6Very high91 Ų9156.8 Ų56.864%0.63630%0.301SS*.THydrogen-bonded Turntrans-67.6-21.9-179.5540000114.3
499E89.5Confident92.5Very high179 Ų17956.8 Ų56.884%0.83630%0.301SS*.THydrogen-bonded Turntrans-80.9-44.1179.4-60.2-178.3172.500111.3N497N497-E499 VanDerWaalsContact C-N 3.25Å; N497-E499 PolarHBondContact O-N 2.86Å; N497-E499 WeakPolarHBondContact OD1-CA 3.5Å; N497-E499 WeakPolarHBondContact OD1-CB 3.26Å; N497-E499 PolarHBondContact OD1-N 3.03Å
500T91.6Very high92.2Very high72 Ų7256.3 Ų56.344%0.44230%0.299SS..THydrogen-bonded Turntrans-91.4-8.5179.965.20000113.3N497 Q502N497-T500 WeakPolarHBondContact CB-OG1 3.46Å; N497-T500 VanDerWaalsContact CG-OG1 3.24Å; N497-T500 PolarHBondContact OD1-N 3.4Å; N497-T500 VanDerWaalsContact OD1-N 3.15Å; T500-Q502 PolarHBondContact O-N 3.07Å; T500-Q502 VanDerWaalsContact O-N 3.09Å; T500-Q502 WeakPolarHBondContact OG1-CB 3.3Å; T500-Q502 PolarHBondContact OG1-N 3.33Å
501S92.2Very high92Very high39 Ų3950.7 Ų50.727%0.27327%0.269SS..  trans57.111.6-170.2-63.20000115.1D438 F439 N497D438-S501 CarbonylContact C-O 3.53Å; D438-S501 WeakPolarHBondContact CA-O 3.41Å; D438-S501 VanDerWaalsContact CB-O 3.29Å; D438-S501 WeakPolarHBondContact CB-O 3.39Å; F439-S501 PolarHBondContact N-O 2.85Å; N497-S501 WeakPolarHBondContact O-CA 3.47Å; N497-S501 PolarHBondContact O-N 3.45Å
502Q95Very high92Very high105 Ų10549.4 Ų49.449%0.49126%0.262SS..BIsolated β-bridgetrans-76142.3179.3-69.6-178.4-19.500111.6Y496 N497 T500Y496-Q502 WeakPolarHBondContact CD2-O 3.15Å; N497-Q502 PolarHBondContact N-O 3.18Å; T500-Q502 PolarHBondContact O-N 3.07Å; T500-Q502 VanDerWaalsContact O-N 3.09Å; T500-Q502 WeakPolarHBondContact OG1-CB 3.3Å; T500-Q502 PolarHBondContact OG1-N 3.33Å
503I95.5Very high91.8Very high0 Ų046 Ų460%025%0.247CC..EExtended strand (participates in β ladder)trans-123.5116.6-178.6-58173.9000108.1I431 V436 F437 D438 A442 I485 V494 Y496I431-I503 HydrophobicContact CD1-CG2 3.73Å; I431-I503 HydrophobicContact CG1-CG2 3.94Å; I431-I503 HydrophobicContact CG2-CG2 3.81Å; V436-I503 HydrophobicContact CG1-CD1 4.26Å; F437-I503 PolarHBondContact O-N 2.67Å; D438-I503 VanDerWaalsContact C-CD1 3.41Å; D438-I503 WeakPolarHBondContact O-CD1 3.46Å; A442-I503 HydrophobicContact CB-CD1 4.31Å; I485-I503 HydrophobicContact CD1-CD1 3.55Å; I485-I503 HydrophobicContact CG1-CD1 4.2Å; V494-I503 HydrophobicContact CG1-CG2 3.35Å; Y496-I503 HydrophobicContact CD2-CD1 4.49Å; Y496-I503 HydrophobicContact CD2-CG1 3.62Å; Y496-I503 HydrophobicContact CE2-CG1 4.12Å
504N94.7Very high91.3Very high64 Ų6451.8 Ų51.834%0.34227%0.272SS..EExtended strand (participates in β ladder)trans-117.4134.8177.4-71.6-56.5000111.4R434 V494 D495R434-N504 PolarHBondContact NH1-OD1 3.43Å; V494-N504 CarbonylContact C-O 3.54Å; V494-N504 WeakPolarHBondContact CA-O 3.1Å; D495-N504 PolarHBondContact N-O 2.63Å; D495-N504 PolarHBondContact O-N 3.18Å
505P93.9Very high90.7Very high15 Ų1552.8 Ų52.810%0.09728%0.278CS..EExtended strand (participates in β ladder)trans-65.5146.6168.929.4-32.1000110.4I431 V432 R434 S509I431-P505 HydrophobicContact CG2-CB 4.17Å; I431-P505 HydrophobicContact CG2-CG 4.5Å; V432-P505 HydrophobicContact CG2-CB 3.9Å; R434-P505 VanDerWaalsContact NH1-CD 3.25Å; P505-S509 VanDerWaalsContact CB-OG 3.22Å; P505-S509 WeakPolarHBondContact CB-OG 3.25Å
506T93.3Very high90.2Very high35 Ų3550.7 Ų50.722%0.21527%0.266CS..  trans-92.9161.9169.968.10000111K492 L493 L508 S509 E510K492-T506 WeakPolarHBondContact O-CG2 3.1Å; K492-T506 PolarHBondContact O-OG1 3.25Å; L493-T506 VanDerWaalsContact C-OG1 3.3Å; L493-T506 WeakPolarHBondContact CA-OG1 3.49Å; L493-T506 PolarHBondContact O-N 3.34Å; L493-T506 PolarHBondContact O-OG1 3.06Å; T506-L508 PolarHBondContact O-N 3.08Å; T506-L508 VanDerWaalsContact O-N 3.07Å; T506-S509 PolarHBondContact N-OG 3.36Å; T506-S509 WeakPolarHBondContact O-CB 3.43Å; T506-S509 PolarHBondContact O-N 3.3Å; T506-S509 PolarHBondContact O-OG 3.43Å; T506-E510 PolarHBondContact O-N 3.28Å
507D90.2Very high89.9Confident68 Ų6850 Ų5036%0.36427%0.265SS..Hα-helixtrans-54.7-30.8175.2-62.4-38.9000112.8S509 E510 I511 L629D507-S509 VanDerWaalsContact C-N 3.34Å; D507-S509 PolarHBondContact O-N 2.82Å; D507-E510 PolarHBondContact O-N 3.15Å; D507-I511 WeakPolarHBondContact O-CG1 3.48Å; D507-I511 PolarHBondContact O-N 2.88Å; D507-L629 HydrophobicContact CB-CD1 3.94Å; D507-L629 HydrophobicContact CB-CD2 3.55Å; D507-L629 HydrophobicContact CB-CG 4.39Å
508L91.4Very high89.8Confident14 Ų1450.7 Ų50.77%0.07327%0.266CS..Hα-helixtrans-62.7-42.6175.5-63.7169.2000111.4K492 L493 T506 E510 I511 I512 F522 L626 L629 Y630K492-L508 HydrophobicContact CB-CD1 4.18Å; L493-L508 HydrophobicContact CD2-CB 3.85Å; T506-L508 PolarHBondContact O-N 3.08Å; T506-L508 VanDerWaalsContact O-N 3.07Å; L508-E510 VanDerWaalsContact C-N 3.32Å; L508-I511 PolarHBondContact O-N 2.85Å; L508-I512 WeakPolarHBondContact O-CG1 3.28Å; L508-I512 PolarHBondContact O-N 3.31Å; L508-I512 VanDerWaalsContact O-N 3.09Å; L508-F522 HydrophobicContact CB-CE2 4.38Å; L508-F522 HydrophobicContact CB-CZ 3.99Å; L508-F522 HydrophobicContact CD1-CZ 4.16Å; L508-F522 HydrophobicContact CD2-CE2 4.07Å; L508-F522 HydrophobicContact CD2-CZ 3.85Å; L508-F522 HydrophobicContact CG-CZ 4.22Å; L508-L626 HydrophobicContact CD2-CD1 3.44Å; L508-L626 VanDerWaalsContact CD2-CD1 3.44Å; L508-L629 HydrophobicContact CD2-CD1 3.38Å; L508-L629 HydrophobicContact CG-CD1 4Å; L508-Y630 WeakPolarHBondContact CD1-OH 3.4Å; L508-Y630 HydrophobicContact CD2-CE2 4.21Å; L508-Y630 WeakPolarHBondContact CD2-OH 3.21Å
509S91.7Very high89.8Confident0 Ų047.7 Ų47.70%024%0.242CC..Hα-helixtrans-65-37.7176.770.20000112.1L493 P505 T506 D507 I511 I512 F513L493-S509 VanDerWaalsContact O-CB 3.25Å; L493-S509 WeakPolarHBondContact O-CB 3.49Å; L493-S509 PolarHBondContact O-OG 3.18Å; P505-S509 VanDerWaalsContact CB-OG 3.22Å; P505-S509 WeakPolarHBondContact CB-OG 3.25Å; T506-S509 PolarHBondContact N-OG 3.36Å; T506-S509 WeakPolarHBondContact O-CB 3.43Å; T506-S509 PolarHBondContact O-N 3.3Å; T506-S509 PolarHBondContact O-OG 3.43Å; D507-S509 VanDerWaalsContact C-N 3.34Å; D507-S509 PolarHBondContact O-N 2.82Å; S509-I511 VanDerWaalsContact C-N 3.33Å; S509-I511 PolarHBondContact O-N 3.44Å; S509-I512 PolarHBondContact O-N 3.14Å; S509-F513 WeakPolarHBondContact O-CB 3.48Å; S509-F513 PolarHBondContact O-N 3.34Å
510E89.1Confident89.9Confident52 Ų5242.7 Ų42.724%0.24322%0.222CC..Hα-helixtrans-63.2-39.2175.5-63.7-166.9174.200111.7T506 D507 L508 F513 K514T506-E510 PolarHBondContact O-N 3.28Å; D507-E510 PolarHBondContact O-N 3.15Å; L508-E510 VanDerWaalsContact C-N 3.32Å; E510-F513 PolarHBondContact O-N 3Å; E510-K514 WeakPolarHBondContact O-CB 3.45Å; E510-K514 PolarHBondContact O-N 3.02Å
511I87.6Confident90Very high10 Ų1039.3 Ų39.35%0.05120%0.201CC..Hα-helixtrans-65.5-46.2176.4-68.9178.2000111.8D507 L508 S509 F513 N515 G625 L629D507-I511 WeakPolarHBondContact O-CG1 3.48Å; D507-I511 PolarHBondContact O-N 2.88Å; L508-I511 PolarHBondContact O-N 2.85Å; S509-I511 VanDerWaalsContact C-N 3.33Å; S509-I511 PolarHBondContact O-N 3.44Å; I511-F513 VanDerWaalsContact C-N 3.3Å; I511-N515 WeakPolarHBondContact O-CB 3.49Å; I511-N515 PolarHBondContact O-N 3.45Å; I511-N515 VanDerWaalsContact O-N 3.15Å; I511-N515 PolarHBondContact O-ND2 3.08Å; I511-G625 WeakPolarHBondContact CD1-O 3.45Å; I511-L629 HydrophobicContact CD1-CD1 3.31Å; I511-L629 HydrophobicContact CD1-CD2 3.86Å; I511-L629 HydrophobicContact CD1-CG 3.44Å; I511-L629 VanDerWaalsContact CD1-CG 3.44Å; I511-L629 HydrophobicContact CG1-CD1 4.41Å
512I89.4Confident89.9Confident10 Ų1037.9 Ų37.95%0.05119%0.189CC..Hα-helixtrans-59-48.7177-66.9170.3000109.3L493 L508 S509 N515 N516 L517 F522L493-I512 HydrophobicContact CD1-CD1 4.01Å; L493-I512 HydrophobicContact CD2-CD1 3.52Å; L493-I512 HydrophobicContact CG-CD1 4.44Å; L508-I512 WeakPolarHBondContact O-CG1 3.28Å; L508-I512 PolarHBondContact O-N 3.31Å; L508-I512 VanDerWaalsContact O-N 3.09Å; S509-I512 PolarHBondContact O-N 3.14Å; I512-N515 PolarHBondContact O-N 3.28Å; I512-N516 PolarHBondContact O-N 2.54Å; I512-N516 VanDerWaalsContact O-N 3.08Å; I512-L517 HydrophobicContact CG2-CB 4.25Å; I512-L517 WeakPolarHBondContact CG2-O 3.06Å; I512-L517 PolarHBondContact O-N 3.41Å; I512-F522 HydrophobicContact CD1-CB 3.79Å; I512-F522 HydrophobicContact CD1-CD1 3.68Å; I512-F522 HydrophobicContact CD1-CD2 3.61Å; I512-F522 HydrophobicContact CD1-CE1 4.12Å; I512-F522 HydrophobicContact CD1-CE2 4.05Å; I512-F522 HydrophobicContact CD1-CG 3.39Å; I512-F522 HydrophobicContact CD1-CZ 4.29Å; I512-F522 HydrophobicContact CG1-CB 3.97Å; I512-F522 HydrophobicContact CG1-CD2 3.55Å; I512-F522 HydrophobicContact CG1-CE2 4.13Å; I512-F522 HydrophobicContact CG1-CG 3.76Å
513F86.3Confident89.7Confident21 Ų2135.3 Ų35.39%0.09218%0.178CC..Hα-helixtrans-63-51-177.4-176.9-93.1000112.2K133 C429 V432 L433 S509 E510 I511 N515 N516K133-F513 HydrophobicContact CB-CD1 4.33Å; K133-F513 HydrophobicContact CB-CE1 3.47Å; K133-F513 VanDerWaalsContact CB-CE1 3.47Å; K133-F513 HydrophobicContact CB-CE2 4.37Å; K133-F513 HydrophobicContact CB-CZ 3.5Å; K133-F513 VanDerWaalsContact CB-CZ 3.5Å; K133-F513 HydrophobicContact CD-CD1 4.38Å; K133-F513 HydrophobicContact CD-CD2 3.97Å; K133-F513 HydrophobicContact CD-CE1 3.98Å; K133-F513 HydrophobicContact CD-CE2 3.52Å; K133-F513 HydrophobicContact CD-CG 4.39Å; K133-F513 HydrophobicContact CD-CZ 3.52Å; K133-F513 HydrophobicContact CG-CE1 3.77Å; K133-F513 HydrophobicContact CG-CE2 3.72Å; K133-F513 HydrophobicContact CG-CZ 3.24Å; C429-F513 HydrophobicContact CB-CD2 4.23Å; C429-F513 HydrophobicContact CB-CE2 3.9Å; V432-F513 HydrophobicContact CB-CB 4.46Å; V432-F513 HydrophobicContact CB-CD2 4.01Å; V432-F513 HydrophobicContact CB-CE2 4.33Å; V432-F513 HydrophobicContact CB-CG 4.11Å; V432-F513 HydrophobicContact CG1-CB 3.94Å; V432-F513 HydrophobicContact CG1-CD1 3.63Å; V432-F513 HydrophobicContact CG1-CD2 3.97Å; V432-F513 HydrophobicContact CG1-CE1 4.03Å; V432-F513 HydrophobicContact CG1-CE2 4.34Å; V432-F513 HydrophobicContact CG1-CG 3.59Å; V432-F513 HydrophobicContact CG1-CZ 4.35Å; V432-F513 HydrophobicContact CG2-CB 4.35Å; V432-F513 HydrophobicContact CG2-CD2 4.48Å; V432-F513 HydrophobicContact CG2-CG 4.5Å; L433-F513 HydrophobicContact CD1-CE2 4.29Å; L433-F513 HydrophobicContact CD1-CZ 4.05Å; L433-F513 HydrophobicContact CD2-CE1 4.24Å; L433-F513 HydrophobicContact CD2-CZ 3.59Å; L433-F513 HydrophobicContact CG-CE2 3.99Å; L433-F513 HydrophobicContact CG-CZ 3.53Å; S509-F513 WeakPolarHBondContact O-CB 3.48Å; S509-F513 PolarHBondContact O-N 3.34Å; E510-F513 PolarHBondContact O-N 3Å; I511-F513 VanDerWaalsContact C-N 3.3Å; F513-N515 VanDerWaalsContact C-N 3.29Å; F513-N515 PolarHBondContact O-N 3.31Å; F513-N516 PolarHBondContact O-N 3.09Å; F513-N516 VanDerWaalsContact O-N 3.14Å
514K81.6Confident89.5Confident120 Ų12038.3 Ų38.352%0.52219%0.191SC..Hα-helixtrans-60.3-37.5-179.7-177.6175.4-179.1174.60112.5E510E510-K514 WeakPolarHBondContact O-CB 3.45Å; E510-K514 PolarHBondContact O-N 3.02Å
515N82.4Confident89.4Confident25 Ų2535.2 Ų35.213%0.13418%0.175CC..THydrogen-bonded Turntrans-91.61.9-178.7-65.6-71.3000113.4I511 I512 F513 L517 N621I511-N515 WeakPolarHBondContact O-CB 3.49Å; I511-N515 PolarHBondContact O-N 3.45Å; I511-N515 VanDerWaalsContact O-N 3.15Å; I511-N515 PolarHBondContact O-ND2 3.08Å; I512-N515 PolarHBondContact O-N 3.28Å; F513-N515 VanDerWaalsContact C-N 3.29Å; F513-N515 PolarHBondContact O-N 3.31Å; N515-L517 VanDerWaalsContact C-N 3.26Å; N515-L517 HydrophobicContact CB-CD1 4.23Å; N515-L517 HydrophobicContact CB-CD2 4.33Å; N515-L517 HydrophobicContact CB-CG 3.83Å; N515-L517 PolarHBondContact O-N 2.85Å; N515-N621 WeakPolarHBondContact OD1-CB 3.5Å
516N84.1Confident89.1Confident51 Ų5136.1 Ų36.127%0.27318%0.181SC..THydrogen-bonded Turntrans49.346.7-175.2-74.7-46.1000112.4S130 K133 I512 F513S130-N516 PolarHBondContact OG-ND2 3.08Å; K133-N516 WeakPolarHBondContact CD-OD1 3.42Å; K133-N516 PolarHBondContact NZ-OD1 3.49Å; K133-N516 VanDerWaalsContact NZ-OD1 3.12Å; I512-N516 PolarHBondContact O-N 2.54Å; I512-N516 VanDerWaalsContact O-N 3.08Å; F513-N516 PolarHBondContact O-N 3.09Å; F513-N516 VanDerWaalsContact O-N 3.14Å
517L88.4Confident88.9Confident15 Ų1542 Ų428%0.07920%0.204CC..  trans-86.4146.3177.4-61.8-176.8000111.1I512 N515 M525 E546 R618 I619I512-L517 HydrophobicContact CG2-CB 4.25Å; I512-L517 WeakPolarHBondContact CG2-O 3.06Å; I512-L517 PolarHBondContact O-N 3.41Å; N515-L517 VanDerWaalsContact C-N 3.26Å; N515-L517 HydrophobicContact CB-CD1 4.23Å; N515-L517 HydrophobicContact CB-CD2 4.33Å; N515-L517 HydrophobicContact CB-CG 3.83Å; N515-L517 PolarHBondContact O-N 2.85Å; L517-M525 HydrophobicContact CD1-CE 3.83Å; L517-M525 HydrophobicContact CD1-SD 4.17Å; L517-E546 WeakPolarHBondContact CA-OE1 3.27Å; L517-R618 HydrophobicContact CD2-CB 4.42Å; L517-I619 HydrophobicContact CD2-CG1 4.18Å
518Q89.2Confident89Confident79 Ų7939.7 Ų39.737%0.36919%0.191SC..  trans-77.5150.9169.8-71.2-175.5-50.100110.8D520 T521 F522 S545 E546Q518-D520 VanDerWaalsContact C-N 3.3Å; Q518-D520 PolarHBondContact O-N 3.14Å; Q518-T521 PolarHBondContact O-N 3.33Å; Q518-F522 PolarHBondContact O-N 2.94Å; Q518-S545 VanDerWaalsContact CB-OG 3.27Å; Q518-S545 WeakPolarHBondContact CB-OG 3.02Å; Q518-S545 PolarHBondContact OE1-O 2.84Å; Q518-S545 PolarHBondContact OE1-OG 2.72Å; Q518-E546 PolarHBondContact N-OE1 3.15Å
519L89.5Confident89Confident27 Ų2742.3 Ų42.314%0.14121%0.211CC..Hα-helixtrans-61.8-38.7-176.2-176.858.2000112.1T424 E425 L491 L493 T521 F522 M523T424-L519 HydrophobicContact CG2-CD2 4.45Å; E425-L519 HydrophobicContact CG-CB 4.34Å; E425-L519 WeakPolarHBondContact OE1-CB 3.5Å; E425-L519 PolarHBondContact OE1-N 2.84Å; L491-L519 HydrophobicContact CD1-CD1 4.15Å; L491-L519 HydrophobicContact CD1-CD2 3.8Å; L491-L519 HydrophobicContact CD1-CG 4.36Å; L493-L519 HydrophobicContact CD1-CD1 3.39Å; L519-T521 PolarHBondContact O-N 3.25Å; L519-F522 PolarHBondContact O-N 3.13Å; L519-M523 WeakPolarHBondContact O-CG 3.39Å; L519-M523 PolarHBondContact O-N 3.22Å
520D91.3Very high88.7Confident75 Ų7542.3 Ų42.340%0.40121%0.211SC..Hα-helixtrans-59.9-43176.2177.460.7000112.5Q518 F522 M523 K524Q518-D520 VanDerWaalsContact C-N 3.3Å; Q518-D520 PolarHBondContact O-N 3.14Å; D520-F522 PolarHBondContact O-N 3.36Å; D520-M523 PolarHBondContact O-N 3.45Å; D520-K524 WeakPolarHBondContact O-CG 3.45Å; D520-K524 PolarHBondContact O-N 3.3Å; D520-K524 WeakPolarHBondContact OD2-CE 3.29Å; D520-K524 IonicContact OD2-NZ 2.68Å; D520-K524 PolarHBondContact OD2-NZ 3.49Å
521T93.3Very high88.7Confident0 Ų043.6 Ų43.60%022%0.217CC..Hα-helixtrans-61.8-42.9176.1-76.80000111.7Q518 L519 M523 K524 M525 C544 S545 E546 I619Q518-T521 PolarHBondContact O-N 3.33Å; L519-T521 PolarHBondContact O-N 3.25Å; T521-M523 VanDerWaalsContact C-N 3.33Å; T521-M523 PolarHBondContact O-N 3.24Å; T521-K524 WeakPolarHBondContact O-CB 3.45Å; T521-K524 PolarHBondContact O-N 2.91Å; T521-M525 HydrophobicContact CG2-CE 3.71Å; T521-M525 WeakPolarHBondContact O-CG 3.41Å; T521-M525 PolarHBondContact O-N 3.14Å; T521-C544 HydrophobicContact CG2-CB 4.13Å; T521-S545 PolarHBondContact OG1-N 3.01Å; T521-S545 PolarHBondContact OG1-OG 2.79Å; T521-E546 WeakPolarHBondContact CB-OE1 3.37Å; T521-E546 VanDerWaalsContact CB-OE2 3.32Å; T521-E546 WeakPolarHBondContact CB-OE2 3.39Å; T521-E546 WeakPolarHBondContact CG2-OE2 3.13Å; T521-E546 VanDerWaalsContact OG1-CD 3.3Å; T521-E546 PolarHBondContact OG1-OE1 3.22Å; T521-E546 PolarHBondContact OG1-OE2 3.03Å; T521-I619 HydrophobicContact CG2-CG1 4.34Å
522F90.1Very high88.9Confident9 Ų944 Ų444%0.03922%0.218CC..Hα-helixtrans-61.3-42.8174.3176.6-98.4000111.9L493 L508 I512 Q518 L519 D520 K524 M525 S526 L626L493-F522 HydrophobicContact CD2-CD1 4.42Å; L493-F522 HydrophobicContact CD2-CE1 3.9Å; L493-F522 HydrophobicContact CD2-CZ 4.22Å; L508-F522 HydrophobicContact CB-CE2 4.38Å; L508-F522 HydrophobicContact CB-CZ 3.99Å; L508-F522 HydrophobicContact CD1-CZ 4.16Å; L508-F522 HydrophobicContact CD2-CE2 4.07Å; L508-F522 HydrophobicContact CD2-CZ 3.85Å; L508-F522 HydrophobicContact CG-CZ 4.22Å; I512-F522 HydrophobicContact CD1-CB 3.79Å; I512-F522 HydrophobicContact CD1-CD1 3.68Å; I512-F522 HydrophobicContact CD1-CD2 3.61Å; I512-F522 HydrophobicContact CD1-CE1 4.12Å; I512-F522 HydrophobicContact CD1-CE2 4.05Å; I512-F522 HydrophobicContact CD1-CG 3.39Å; I512-F522 HydrophobicContact CD1-CZ 4.29Å; I512-F522 HydrophobicContact CG1-CB 3.97Å; I512-F522 HydrophobicContact CG1-CD2 3.55Å; I512-F522 HydrophobicContact CG1-CE2 4.13Å; I512-F522 HydrophobicContact CG1-CG 3.76Å; Q518-F522 PolarHBondContact O-N 2.94Å; L519-F522 PolarHBondContact O-N 3.13Å; D520-F522 PolarHBondContact O-N 3.36Å; F522-K524 VanDerWaalsContact C-N 3.28Å; F522-K524 PolarHBondContact O-N 3.38Å; F522-M525 WeakPolarHBondContact O-CB 3.21Å; F522-M525 PolarHBondContact O-N 3.05Å; F522-M525 VanDerWaalsContact O-N 3.13Å; F522-S526 PolarHBondContact O-N 3.48Å; F522-L626 HydrophobicContact CE2-CD1 4.01Å; F522-L626 HydrophobicContact CZ-CD1 4.37Å
523M89.7Confident89Confident51 Ų5145.7 Ų45.725%0.25123%0.232SC..Hα-helixtrans-62-37.3175.7-66.7-54.9-7400112L491 L519 D520 T521 S526 K527L491-M523 HydrophobicContact CD2-CE 3.56Å; L491-M523 HydrophobicContact CD2-SD 3.74Å; L519-M523 WeakPolarHBondContact O-CG 3.39Å; L519-M523 PolarHBondContact O-N 3.22Å; D520-M523 PolarHBondContact O-N 3.45Å; T521-M523 VanDerWaalsContact C-N 3.33Å; T521-M523 PolarHBondContact O-N 3.24Å; M523-S526 PolarHBondContact O-OG 3.5Å; M523-K527 WeakPolarHBondContact O-CG 3.41Å; M523-K527 PolarHBondContact O-N 2.9Å
524K92.7Very high89.3Confident63 Ų6345.2 Ų45.227%0.27423%0.23SC..Hα-helixtrans-65.4-42172.3-71.6168.61761650112D520 T521 F522 S526 K527 F540 N543D520-K524 WeakPolarHBondContact O-CG 3.45Å; D520-K524 PolarHBondContact O-N 3.3Å; D520-K524 WeakPolarHBondContact OD2-CE 3.29Å; D520-K524 IonicContact OD2-NZ 2.68Å; D520-K524 PolarHBondContact OD2-NZ 3.49Å; T521-K524 WeakPolarHBondContact O-CB 3.45Å; T521-K524 PolarHBondContact O-N 2.91Å; F522-K524 VanDerWaalsContact C-N 3.28Å; F522-K524 PolarHBondContact O-N 3.38Å; K524-S526 PolarHBondContact O-N 3.11Å; K524-K527 PolarHBondContact O-N 2.9Å; K524-F540 HydrophobicContact CB-CE2 3.84Å; K524-F540 HydrophobicContact CB-CZ 4.24Å; K524-N543 PolarHBondContact NZ-O 3.49Å
525M92.6Very high89.9Confident0 Ų043 Ų430%022%0.221CC..Hα-helixtrans-59.7-44.7175.4-69.6177.3179.700111.8L517 T521 F522 K527 L528 F540 I619 L623 L626L517-M525 HydrophobicContact CD1-CE 3.83Å; L517-M525 HydrophobicContact CD1-SD 4.17Å; T521-M525 HydrophobicContact CG2-CE 3.71Å; T521-M525 WeakPolarHBondContact O-CG 3.41Å; T521-M525 PolarHBondContact O-N 3.14Å; F522-M525 WeakPolarHBondContact O-CB 3.21Å; F522-M525 PolarHBondContact O-N 3.05Å; F522-M525 VanDerWaalsContact O-N 3.13Å; M525-K527 PolarHBondContact O-N 3.49Å; M525-K527 VanDerWaalsContact O-N 3.17Å; M525-L528 WeakPolarHBondContact O-CB 3.37Å; M525-L528 WeakPolarHBondContact O-CG 3.38Å; M525-L528 PolarHBondContact O-N 3.38Å; M525-L528 VanDerWaalsContact O-N 3.15Å; M525-F540 HydrophobicContact CB-CZ 4.24Å; M525-F540 HydrophobicContact CG-CE1 3.99Å; M525-F540 HydrophobicContact CG-CZ 3.54Å; M525-I619 HydrophobicContact CE-CB 4.12Å; M525-I619 HydrophobicContact CE-CG2 3.41Å; M525-I619 VanDerWaalsContact CE-CG2 3.41Å; M525-I619 WeakPolarHBondContact CE-O 3.37Å; M525-L623 HydrophobicContact CB-CD1 4.46Å; M525-L623 HydrophobicContact CE-CB 4.22Å; M525-L623 HydrophobicContact CG-CD1 4.47Å; M525-L623 HydrophobicContact SD-CB 4.17Å; M525-L626 HydrophobicContact CB-CD2 4.05Å
526S86.6Confident90.5Very high33 Ų3346.8 Ų46.823%0.23124%0.239CC..Hα-helixtrans-63.3-21.8-179.375.50000113.7F522 M523 K524F522-S526 PolarHBondContact O-N 3.48Å; M523-S526 PolarHBondContact O-OG 3.5Å; K524-S526 PolarHBondContact O-N 3.11Å
527K89.7Confident91Very high159 Ų15944.5 Ų44.569%0.69123%0.226SC*.THydrogen-bonded Turntrans-91-3.6-179.8-70.2172.1-176.3175.20113.9M523 K524 M525M523-K527 WeakPolarHBondContact O-CG 3.41Å; M523-K527 PolarHBondContact O-N 2.9Å; K524-K527 PolarHBondContact O-N 2.9Å; M525-K527 PolarHBondContact O-N 3.49Å; M525-K527 VanDerWaalsContact O-N 3.17Å
528L92.6Very high91.3Very high19 Ų1943.8 Ų43.810%0.09922%0.222CC..  trans-60.7143.7174.8-69.2176.3000110.5M525 G530 E532 F540 L623 V653M525-L528 WeakPolarHBondContact O-CB 3.37Å; M525-L528 WeakPolarHBondContact O-CG 3.38Å; M525-L528 PolarHBondContact O-N 3.38Å; M525-L528 VanDerWaalsContact O-N 3.15Å; L528-G530 VanDerWaalsContact C-N 3.32Å; L528-E532 HydrophobicContact CD2-CG 3.98Å; L528-F540 HydrophobicContact CD1-CD2 4.38Å; L528-F540 HydrophobicContact CD1-CE1 4.37Å; L528-F540 HydrophobicContact CD1-CE2 4.12Å; L528-F540 HydrophobicContact CD1-CZ 4.14Å; L528-F540 HydrophobicContact CD2-CD2 3.56Å; L528-F540 HydrophobicContact CD2-CE2 3.79Å; L528-F540 HydrophobicContact CD2-CG 4.18Å; L528-F540 HydrophobicContact CG-CD2 4.27Å; L528-F540 HydrophobicContact CG-CE2 4.01Å; L528-F540 HydrophobicContact CG-CZ 4.48Å; L528-L623 HydrophobicContact CD1-CD1 3.94Å; L528-L623 HydrophobicContact CD1-CD2 4.33Å; L528-V653 HydrophobicContact CB-CB 3.76Å; L528-V653 HydrophobicContact CB-CG2 3.43Å; L528-V653 VanDerWaalsContact CB-CG2 3.43Å; L528-V653 HydrophobicContact CD1-CG2 4.07Å; L528-V653 HydrophobicContact CG-CG2 4.4Å; L528-V653 PolarHBondContact O-N 3.3Å
529S90.1Very high91.6Very high70 Ų7043.5 Ų43.549%0.4922%0.219SC..  trans-72-25.6-178.469.90000113.3E531 E532S529-E531 PolarHBondContact OG-N 3.43Å; S529-E532 WeakPolarHBondContact CA-OE1 3.39Å; S529-E532 WeakPolarHBondContact CB-OE1 3.46Å; S529-E532 PolarHBondContact N-OE1 3.41Å; S529-E532 VanDerWaalsContact OG-CD 3.31Å; S529-E532 PolarHBondContact OG-OE1 3.08Å
530G87.4Confident92Very high0 Ų043.5 Ų43.50%022%0.218CC..SBendtrans91.9-2.9-17500000114.6L528 E532 K656 S659L528-G530 VanDerWaalsContact C-N 3.32Å; G530-E532 VanDerWaalsContact C-OE2 3.25Å; G530-E532 WeakPolarHBondContact CA-OE2 3.43Å; G530-E532 PolarHBondContact N-OE1 3.14Å; G530-E532 PolarHBondContact N-OE2 3.37Å; G530-K656 WeakPolarHBondContact O-CB 3.49Å; G530-S659 WeakPolarHBondContact O-CB 3.17Å; G530-S659 PolarHBondContact O-N 2.78Å; G530-S659 VanDerWaalsContact O-N 3.16Å
531E88.6Confident92.2Very high78 Ų7840 Ų4036%0.36420%0.199SC..  trans-109.412.3179.5-59.4-163.2-167.700113.6S529 S533 K656 K780S529-E531 PolarHBondContact OG-N 3.43Å; E531-S533 PolarHBondContact O-N 3.2Å; E531-K656 HydrophobicContact CG-CD 4.3Å; E531-K656 IonicContact OE1-NZ 3.51Å; E531-K656 PolarHBondContact OE1-NZ 3.26Å; E531-K780 HydrophobicContact CG-CD 4.43Å; E531-K780 IonicContact OE2-NZ 3.17Å; E531-K780 PolarHBondContact OE2-NZ 2.99Å
532E91.3Very high92.4Very high18 Ų1840.2 Ų40.28%0.08420%0.201CC..  trans-61.7129.2-177.7-65.470.6-158.700111.9L528 S529 G530 E536 L537 S662L528-E532 HydrophobicContact CD2-CG 3.98Å; S529-E532 WeakPolarHBondContact CA-OE1 3.39Å; S529-E532 WeakPolarHBondContact CB-OE1 3.46Å; S529-E532 PolarHBondContact N-OE1 3.41Å; S529-E532 VanDerWaalsContact OG-CD 3.31Å; S529-E532 PolarHBondContact OG-OE1 3.08Å; G530-E532 VanDerWaalsContact C-OE2 3.25Å; G530-E532 WeakPolarHBondContact CA-OE2 3.43Å; G530-E532 PolarHBondContact N-OE1 3.14Å; G530-E532 PolarHBondContact N-OE2 3.37Å; E532-E536 WeakPolarHBondContact CA-OE2 3.37Å; E532-E536 HydrophobicContact CB-CB 4.23Å; E532-E536 HydrophobicContact CG-CB 4.49Å; E532-L537 HydrophobicContact CB-CD2 3.91Å; E532-L537 HydrophobicContact CB-CG 4.1Å; E532-L537 HydrophobicContact CG-CD2 4.42Å; E532-S662 WeakPolarHBondContact O-CB 3.48Å; E532-S662 PolarHBondContact O-OG 2.92Å
533S91.9Very high92.6Very high47 Ų4743.9 Ų43.933%0.32922%0.221SC..  trans-74.8164.3167.762.40000111.8E531 E535 E536 L537E531-S533 PolarHBondContact O-N 3.2Å; S533-E535 PolarHBondContact O-N 3.19Å; S533-E536 WeakPolarHBondContact CB-OE2 3.46Å; S533-E536 PolarHBondContact N-OE2 3.5Å; S533-E536 PolarHBondContact O-N 3.13Å; S533-E536 VanDerWaalsContact O-N 3.13Å; S533-E536 WeakPolarHBondContact OG-CG 3.27Å; S533-E536 PolarHBondContact OG-N 3.42Å; S533-E536 PolarHBondContact OG-OE2 3.17Å; S533-L537 WeakPolarHBondContact O-CG 3.4Å; S533-L537 PolarHBondContact O-N 3.24Å
534V91.9Very high92.9Very high10 Ų1041.4 Ų41.46%0.06121%0.209CC..Hα-helixtrans-54.7-37.2172.6175.40000111.8L537 L538 F574 E665 L666 W675V534-L537 PolarHBondContact O-N 3.48Å; V534-L538 WeakPolarHBondContact O-CG 3.5Å; V534-L538 PolarHBondContact O-N 3.21Å; V534-L538 VanDerWaalsContact O-N 3.14Å; V534-F574 HydrophobicContact CB-CZ 4.38Å; V534-F574 HydrophobicContact CG1-CE2 4.14Å; V534-F574 HydrophobicContact CG1-CZ 4.25Å; V534-E665 HydrophobicContact CG2-CB 4.29Å; V534-E665 HydrophobicContact CG2-CG 4.4Å; V534-L666 HydrophobicContact CG1-CB 4.28Å; V534-L666 HydrophobicContact CG1-CD1 4.12Å; V534-W675 HydrophobicContact CG1-CZ3 4.09Å
535E94.1Very high92.9Very high73 Ų7338.9 Ų38.934%0.34120%0.198SC..Hα-helixtrans-63.8-49.7175.9-177.8174.6-173.600111.4S533 L537 L538 Y539 F574S533-E535 PolarHBondContact O-N 3.19Å; E535-L537 VanDerWaalsContact C-N 3.26Å; E535-L537 PolarHBondContact O-N 3.15Å; E535-L538 WeakPolarHBondContact O-CB 3.5Å; E535-L538 PolarHBondContact O-N 3.17Å; E535-Y539 HydrophobicContact CG-CD2 4.19Å; E535-Y539 HydrophobicContact CG-CE2 3.94Å; E535-Y539 VanDerWaalsContact O-CD2 3.29Å; E535-Y539 WeakPolarHBondContact O-CD2 3.18Å; E535-Y539 PolarHBondContact O-N 3.22Å; E535-F574 HydrophobicContact CB-CD1 3.85Å; E535-F574 HydrophobicContact CB-CD2 4.38Å; E535-F574 HydrophobicContact CB-CE1 4.02Å; E535-F574 HydrophobicContact CB-CG 4.04Å; E535-F574 HydrophobicContact CB-CZ 4.34Å; E535-F574 HydrophobicContact CG-CB 4.06Å; E535-F574 HydrophobicContact CG-CD1 4.1Å; E535-F574 HydrophobicContact CG-CG 4.01Å
536E94.7Very high92.8Very high106 Ų10639.6 Ų39.650%0.49520%0.202SC..Hα-helixtrans-62.1-35.3178.1-71.7162.2141.300111.8E532 S533 L538 Y539 F540E532-E536 WeakPolarHBondContact CA-OE2 3.37Å; E532-E536 HydrophobicContact CB-CB 4.23Å; E532-E536 HydrophobicContact CG-CB 4.49Å; S533-E536 WeakPolarHBondContact CB-OE2 3.46Å; S533-E536 PolarHBondContact N-OE2 3.5Å; S533-E536 PolarHBondContact O-N 3.13Å; S533-E536 VanDerWaalsContact O-N 3.13Å; S533-E536 WeakPolarHBondContact OG-CG 3.27Å; S533-E536 PolarHBondContact OG-N 3.42Å; S533-E536 PolarHBondContact OG-OE2 3.17Å; E536-L538 VanDerWaalsContact C-N 3.34Å; E536-L538 PolarHBondContact O-N 3.18Å; E536-Y539 PolarHBondContact O-N 3.46Å; E536-F540 WeakPolarHBondContact O-CB 3.49Å; E536-F540 PolarHBondContact O-N 3.48Å
537L94.7Very high93.1Very high2 Ų238.3 Ų38.31%0.0119%0.192CC..Hα-helixtrans-64.9-33.8173.5-69.7-179.3000112.8E532 S533 V534 E535 F540 I541 L623 A663 L666E532-L537 HydrophobicContact CB-CD2 3.91Å; E532-L537 HydrophobicContact CB-CG 4.1Å; E532-L537 HydrophobicContact CG-CD2 4.42Å; S533-L537 WeakPolarHBondContact O-CG 3.4Å; S533-L537 PolarHBondContact O-N 3.24Å; V534-L537 PolarHBondContact O-N 3.48Å; E535-L537 VanDerWaalsContact C-N 3.26Å; E535-L537 PolarHBondContact O-N 3.15Å; L537-F540 WeakPolarHBondContact O-CB 3.15Å; L537-F540 PolarHBondContact O-N 2.88Å; L537-I541 WeakPolarHBondContact O-CB 3.26Å; L537-I541 VanDerWaalsContact O-CG1 3.24Å; L537-I541 WeakPolarHBondContact O-CG1 3.38Å; L537-I541 PolarHBondContact O-N 2.89Å; L537-L623 HydrophobicContact CD2-CD2 4.06Å; L537-A663 HydrophobicContact CD1-CB 4.38Å; L537-L666 HydrophobicContact CB-CD2 3.72Å
538L95.8Very high93Very high0 Ų035.4 Ų35.40%018%0.184CC..Hα-helixtrans-63-43.5172.2-65.5169.8000111.3V534 E535 E536 A542 F574 L591 Q592 L666 W675V534-L538 WeakPolarHBondContact O-CG 3.5Å; V534-L538 PolarHBondContact O-N 3.21Å; V534-L538 VanDerWaalsContact O-N 3.14Å; E535-L538 WeakPolarHBondContact O-CB 3.5Å; E535-L538 PolarHBondContact O-N 3.17Å; E536-L538 VanDerWaalsContact C-N 3.34Å; E536-L538 PolarHBondContact O-N 3.18Å; L538-A542 WeakPolarHBondContact O-CB 3.49Å; L538-A542 PolarHBondContact O-N 3.12Å; L538-F574 HydrophobicContact CD1-CD2 3.73Å; L538-F574 HydrophobicContact CD1-CE2 4.08Å; L538-L591 HydrophobicContact CD2-CB 4.38Å; L538-L591 HydrophobicContact CD2-CD1 4.24Å; L538-Q592 HydrophobicContact CD1-CG 3.79Å; L538-L666 HydrophobicContact CD2-CD1 3.86Å; L538-L666 HydrophobicContact CD2-CD2 4.17Å; L538-W675 HydrophobicContact CD1-CH2 4.03Å; L538-W675 HydrophobicContact CD2-CH2 4.36Å
539Y96Very high92.5Very high74 Ų7437 Ų3729%0.2919%0.193SC..Hα-helixtrans-68.2-36.3176.6-77.1-80.6000112.1E535 E536 A542 N543 L585 V588E535-Y539 HydrophobicContact CG-CD2 4.19Å; E535-Y539 HydrophobicContact CG-CE2 3.94Å; E535-Y539 VanDerWaalsContact O-CD2 3.29Å; E535-Y539 WeakPolarHBondContact O-CD2 3.18Å; E535-Y539 PolarHBondContact O-N 3.22Å; E536-Y539 PolarHBondContact O-N 3.46Å; Y539-A542 PolarHBondContact O-N 3.14Å; Y539-N543 PolarHBondContact O-N 3.28Å; Y539-N543 PolarHBondContact O-ND2 3.38Å; Y539-N543 VanDerWaalsContact O-ND2 3.12Å; Y539-L585 HydrophobicContact CE1-CD2 3.96Å; Y539-V588 HydrophobicContact CD1-CG2 3.89Å; Y539-V588 HydrophobicContact CE1-CG1 4.5Å; Y539-V588 HydrophobicContact CE1-CG2 4.06Å; Y539-V588 HydrophobicContact CE2-CG1 4.48Å; Y539-V588 HydrophobicContact CG-CG2 4.23Å
540F96.2Very high92.4Very high27 Ų2734 Ų3412%0.11817%0.171CC..Hα-helixtrans-59.9-52.6172.6171.3-99000111.2K524 M525 L528 E536 L537 A542 N543 C544 I619K524-F540 HydrophobicContact CB-CE2 3.84Å; K524-F540 HydrophobicContact CB-CZ 4.24Å; M525-F540 HydrophobicContact CB-CZ 4.24Å; M525-F540 HydrophobicContact CG-CE1 3.99Å; M525-F540 HydrophobicContact CG-CZ 3.54Å; L528-F540 HydrophobicContact CD1-CD2 4.38Å; L528-F540 HydrophobicContact CD1-CE1 4.37Å; L528-F540 HydrophobicContact CD1-CE2 4.12Å; L528-F540 HydrophobicContact CD1-CZ 4.14Å; L528-F540 HydrophobicContact CD2-CD2 3.56Å; L528-F540 HydrophobicContact CD2-CE2 3.79Å; L528-F540 HydrophobicContact CD2-CG 4.18Å; L528-F540 HydrophobicContact CG-CD2 4.27Å; L528-F540 HydrophobicContact CG-CE2 4.01Å; L528-F540 HydrophobicContact CG-CZ 4.48Å; E536-F540 WeakPolarHBondContact O-CB 3.49Å; E536-F540 PolarHBondContact O-N 3.48Å; L537-F540 WeakPolarHBondContact O-CB 3.15Å; L537-F540 PolarHBondContact O-N 2.88Å; F540-A542 PolarHBondContact O-N 3.17Å; F540-N543 CarbonylContact O-C 3.58Å; F540-N543 PolarHBondContact O-N 2.98Å; F540-C544 VanDerWaalsContact CE1-SG 3.53Å; F540-C544 PolarHBondContact O-N 3.3Å; F540-C544 PolarHBondContact O-SG 3.33Å; F540-I619 HydrophobicContact CE1-CG2 4.08Å
541I96.6Very high92.4Very high1 Ų138 Ų381%0.00519%0.186CC..Hα-helixtrans-55.4-44176.8-71.4165.5000110.3L537 N543 C544 M547 L591 A616 I619 L620 L666L537-I541 WeakPolarHBondContact O-CB 3.26Å; L537-I541 VanDerWaalsContact O-CG1 3.24Å; L537-I541 WeakPolarHBondContact O-CG1 3.38Å; L537-I541 PolarHBondContact O-N 2.89Å; I541-N543 PolarHBondContact O-N 3.03Å; I541-N543 VanDerWaalsContact O-N 3.14Å; I541-C544 WeakPolarHBondContact O-CB 3.37Å; I541-C544 PolarHBondContact O-N 2.66Å; I541-C544 VanDerWaalsContact O-N 3.12Å; I541-M547 HydrophobicContact CG2-CE 3.6Å; I541-M547 WeakPolarHBondContact O-CG 3.39Å; I541-L591 HydrophobicContact CG2-CD1 4.13Å; I541-A616 HydrophobicContact CD1-CB 4.32Å; I541-A616 HydrophobicContact CG2-CB 3.79Å; I541-I619 HydrophobicContact CG1-CG2 4.14Å; I541-I619 HydrophobicContact CG2-CD1 4.29Å; I541-L620 HydrophobicContact CD1-CD1 4Å; I541-L620 HydrophobicContact CD1-CD2 4.13Å; I541-L620 HydrophobicContact CD1-CG 3.96Å; I541-L666 HydrophobicContact CD1-CD2 3.76Å
542A96.3Very high92.4Very high5 Ų535.9 Ų35.94%0.04118%0.177CC..Hα-helixtrans-64.2-15.6179.400000114.9L538 Y539 F540 S584 V587 V588L538-A542 WeakPolarHBondContact O-CB 3.49Å; L538-A542 PolarHBondContact O-N 3.12Å; Y539-A542 PolarHBondContact O-N 3.14Å; F540-A542 PolarHBondContact O-N 3.17Å; A542-S584 WeakPolarHBondContact CB-O 3.43Å; A542-V587 HydrophobicContact CB-CB 3.93Å; A542-V587 HydrophobicContact CB-CG1 3.79Å; A542-V588 HydrophobicContact CB-CG2 3.67Å
543N95.1Very high92.1Very high85 Ų8538.6 Ų38.646%0.45519%0.187SC..THydrogen-bonded Turntrans-109.93.6177.4-65.4-35000113.1K524 Y539 F540 I541 S584K524-N543 PolarHBondContact NZ-O 3.49Å; Y539-N543 PolarHBondContact O-N 3.28Å; Y539-N543 PolarHBondContact O-ND2 3.38Å; Y539-N543 VanDerWaalsContact O-ND2 3.12Å; F540-N543 CarbonylContact O-C 3.58Å; F540-N543 PolarHBondContact O-N 2.98Å; I541-N543 PolarHBondContact O-N 3.03Å; I541-N543 VanDerWaalsContact O-N 3.14Å; N543-S584 WeakPolarHBondContact OD1-CB 3.43Å; N543-S584 PolarHBondContact OD1-OG 2.88Å
544C96.2Very high91.6Very high0 Ų044 Ų440%021%0.207CC..SBendtrans-71.1151.8172.5-68.20000110.6T521 F540 I541 E546 M547 I619T521-C544 HydrophobicContact CG2-CB 4.13Å; F540-C544 VanDerWaalsContact CE1-SG 3.53Å; F540-C544 PolarHBondContact O-N 3.3Å; F540-C544 PolarHBondContact O-SG 3.33Å; I541-C544 WeakPolarHBondContact O-CB 3.37Å; I541-C544 PolarHBondContact O-N 2.66Å; I541-C544 VanDerWaalsContact O-N 3.12Å; C544-E546 WeakPolarHBondContact CB-OE2 3.31Å; C544-E546 PolarHBondContact O-N 3.23Å; C544-M547 WeakPolarHBondContact O-CB 3.43Å; C544-M547 PolarHBondContact O-N 2.71Å; C544-I619 HydrophobicContact CB-CD1 3.61Å; C544-I619 HydrophobicContact CB-CG1 4.47Å
545S93Very high91.1Very high9 Ų948.6 Ų48.66%0.06324%0.238CC..G310 helixtrans-69-23.4-172.759.20000113.1Q518 T521 M547 N548Q518-S545 VanDerWaalsContact CB-OG 3.27Å; Q518-S545 WeakPolarHBondContact CB-OG 3.02Å; Q518-S545 PolarHBondContact OE1-O 2.84Å; Q518-S545 PolarHBondContact OE1-OG 2.72Å; T521-S545 PolarHBondContact OG1-N 3.01Å; T521-S545 PolarHBondContact OG1-OG 2.79Å; S545-M547 PolarHBondContact O-N 3.05Å; S545-M547 VanDerWaalsContact O-N 3.12Å; S545-N548 VanDerWaalsContact O-CB 3.24Å; S545-N548 WeakPolarHBondContact O-CB 3.4Å; S545-N548 VanDerWaalsContact O-CG 3.26Å; S545-N548 PolarHBondContact O-N 2.62Å; S545-N548 PolarHBondContact O-ND2 3.19Å
546E90.4Very high90.9Very high15 Ų1545.5 Ų45.57%0.0722%0.224CC..G310 helixtrans-65.1-12.2172-60.379.2-177.200113.2L517 Q518 T521 C544 I619L517-E546 WeakPolarHBondContact CA-OE1 3.27Å; Q518-E546 PolarHBondContact N-OE1 3.15Å; T521-E546 WeakPolarHBondContact CB-OE1 3.37Å; T521-E546 VanDerWaalsContact CB-OE2 3.32Å; T521-E546 WeakPolarHBondContact CB-OE2 3.39Å; T521-E546 WeakPolarHBondContact CG2-OE2 3.13Å; T521-E546 VanDerWaalsContact OG1-CD 3.3Å; T521-E546 PolarHBondContact OG1-OE1 3.22Å; T521-E546 PolarHBondContact OG1-OE2 3.03Å; C544-E546 WeakPolarHBondContact CB-OE2 3.31Å; C544-E546 PolarHBondContact O-N 3.23Å; E546-I619 HydrophobicContact CB-CD1 4.26Å
547M93.1Very high90.7Very high7 Ų744 Ų443%0.03422%0.215CC..G310 helixtrans-97.6-3.6175.1-60.4-60.217000113.4I541 C544 S545 D549 I550 V587 I612 A616 I619I541-M547 HydrophobicContact CG2-CE 3.6Å; I541-M547 WeakPolarHBondContact O-CG 3.39Å; C544-M547 WeakPolarHBondContact O-CB 3.43Å; C544-M547 PolarHBondContact O-N 2.71Å; S545-M547 PolarHBondContact O-N 3.05Å; S545-M547 VanDerWaalsContact O-N 3.12Å; M547-D549 PolarHBondContact O-N 2.77Å; M547-D549 VanDerWaalsContact O-N 3.15Å; M547-I550 WeakPolarHBondContact O-CB 3.22Å; M547-I550 PolarHBondContact O-N 2.89Å; M547-I550 VanDerWaalsContact O-N 3.11Å; M547-V587 HydrophobicContact CG-CG1 4.41Å; M547-V587 HydrophobicContact SD-CG1 4.16Å; M547-I612 HydrophobicContact CE-CG2 4.23Å; M547-I612 HydrophobicContact SD-CG1 4.25Å; M547-I612 HydrophobicContact SD-CG2 4.31Å; M547-A616 HydrophobicContact CE-CB 4.29Å; M547-I619 HydrophobicContact CE-CD1 4.14Å
548N88Confident90.5Very high97 Ų9748.6 Ų48.652%0.51925%0.248SC..THydrogen-bonded Turntrans-61.7-25.3-174.4-75.4-14.9000113.6S545 I550S545-N548 VanDerWaalsContact O-CB 3.24Å; S545-N548 WeakPolarHBondContact O-CB 3.4Å; S545-N548 VanDerWaalsContact O-CG 3.26Å; S545-N548 PolarHBondContact O-N 2.62Å; S545-N548 PolarHBondContact O-ND2 3.19Å; N548-I550 VanDerWaalsContact C-N 3.31Å; N548-I550 PolarHBondContact O-N 2.92Å
549D81.3Confident90.3Very high53 Ų5351 Ų5128%0.28326%0.26SS..THydrogen-bonded Turntrans-79.4-11.4-179.763.826.3000114.1M547 R551 K611M547-D549 PolarHBondContact O-N 2.77Å; M547-D549 VanDerWaalsContact O-N 3.15Å; D549-R551 PolarHBondContact O-N 3.39Å; D549-K611 IonicContact OD1-NZ 2.72Å; D549-K611 PolarHBondContact OD1-NZ 3.31Å; D549-K611 WeakPolarHBondContact OD2-CE 3.48Å; D549-K611 IonicContact OD2-NZ 3.83Å; D549-K611 PolarHBondContact OD2-NZ 3.15Å
550I87.8Confident90.2Very high6 Ų647.5 Ų47.53%0.03125%0.246CC..  trans-79.4114.6176.5-55-60.6000109.4M547 N548 A583 K586 V587 K611 I612M547-I550 WeakPolarHBondContact O-CB 3.22Å; M547-I550 PolarHBondContact O-N 2.89Å; M547-I550 VanDerWaalsContact O-N 3.11Å; N548-I550 VanDerWaalsContact C-N 3.31Å; N548-I550 PolarHBondContact O-N 2.92Å; I550-A583 WeakPolarHBondContact O-CB 3.14Å; I550-K586 HydrophobicContact CG2-CD 4.16Å; I550-V587 HydrophobicContact CB-CG2 4.2Å; I550-V587 HydrophobicContact CG1-CG2 4.35Å; I550-V587 HydrophobicContact CG2-CG2 3.96Å; I550-K611 HydrophobicContact CD1-CD 4.26Å; I550-I612 HydrophobicContact CD1-CD1 4.34Å; I550-I612 HydrophobicContact CD1-CG1 4.04Å; I550-I612 HydrophobicContact CG1-CD1 4.37Å; I550-I612 HydrophobicContact CG1-CG1 4.09Å; I550-I612 HydrophobicContact CG2-CD1 4.4Å
551R86.8Confident90Very high85 Ų8547 Ų4732%0.32125%0.245SC..  trans-104.7143.1177.6-61.9-172-176.8160.98.7111.8D364 D549 R553 K586 Y1325D364-R551 IonicContact OD1-CZ 2.66Å; D364-R551 IonicContact OD1-NH2 3.61Å; D364-R551 PolarHBondContact OD1-NH2 2.9Å; D549-R551 PolarHBondContact O-N 3.39Å; R551-R553 PolarHBondContact O-N 3.25Å; R551-K586 PolarHBondContact O-NZ 2.76Å; R551-Y1325 WeakPolarHBondContact CD-OH 3.19Å; R551-Y1325 WeakPolarHBondContact CG-OH 3.48Å; R551-Y1325 PolarHBondContact NE-OH 3.1Å
552L89Confident89.8Confident33 Ų3354.6 Ų54.617%0.17328%0.278CS..  trans-86.2105.9170.5179.168000110.5E556 K557 L560 V580 K581 K586L552-E556 VanDerWaalsContact CA-OE1 3.28Å; L552-E556 WeakPolarHBondContact CA-OE1 3.28Å; L552-E556 HydrophobicContact CD1-CG 4.17Å; L552-E556 WeakPolarHBondContact CD1-OE1 3.48Å; L552-K557 HydrophobicContact CD1-CG 4.04Å; L552-K557 HydrophobicContact CD2-CD 4.39Å; L552-K557 HydrophobicContact CD2-CG 4.23Å; L552-K557 HydrophobicContact CG-CG 4.17Å; L552-L560 HydrophobicContact CD1-CD1 3.6Å; L552-V580 HydrophobicContact CD1-CG1 4.21Å; L552-V580 HydrophobicContact CD2-CG1 4.48Å; L552-K581 VanDerWaalsContact CD2-O 3.27Å; L552-K581 WeakPolarHBondContact CD2-O 3.28Å; L552-K586 HydrophobicContact CD1-CB 4.18Å; L552-K586 HydrophobicContact CD1-CD 4.07Å
553R84.3Confident89.5Confident75 Ų7554.8 Ų54.828%0.28328%0.278SS..  trans-79.5155.3176.9-46.3174.9-158.2157.47.4110.2R551 E556 S604 E608R551-R553 PolarHBondContact O-N 3.25Å; R553-E556 HydrophobicContact CB-CG 3.92Å; R553-E556 PolarHBondContact N-OE1 3.22Å; R553-E556 WeakPolarHBondContact O-CG 3.36Å; R553-S604 PolarHBondContact NH1-OG 2.73Å; R553-E608 IonicContact CZ-OE1 2.77Å; R553-E608 IonicContact NE-OE1 2.66Å; R553-E608 IonicContact NH2-OE1 3.46Å; R553-E608 PolarHBondContact NH2-OE1 2.74Å; R553-E608 IonicContact NH2-OE2 2.81Å
554H82.6Confident89.3Confident161 Ų16151.1 Ų51.175%0.74526%0.26SS*.THydrogen-bonded Turntrans-68.8-40.1-178.8-173-81.6000112.9E556 K557H554-E556 VanDerWaalsContact C-N 3.31Å; H554-E556 PolarHBondContact O-N 3.27Å; H554-K557 PolarHBondContact O-N 2.89Å
555C82Confident88.9Confident107 Ų10757.5 Ų57.572%0.72328%0.284SS*.THydrogen-bonded Turntrans-65.1-29.5-174.652.80000114.2
556E88.7Confident88.5Confident8 Ų858.6 Ų58.64%0.03729%0.293CS..THydrogen-bonded Turntrans-85.3-16.9-177.756.8-174.5-160.100113.7L552 R553 H554 S558 L559 L560 K586 L605L552-E556 VanDerWaalsContact CA-OE1 3.28Å; L552-E556 WeakPolarHBondContact CA-OE1 3.28Å; L552-E556 HydrophobicContact CD1-CG 4.17Å; L552-E556 WeakPolarHBondContact CD1-OE1 3.48Å; R553-E556 HydrophobicContact CB-CG 3.92Å; R553-E556 PolarHBondContact N-OE1 3.22Å; R553-E556 WeakPolarHBondContact O-CG 3.36Å; H554-E556 VanDerWaalsContact C-N 3.31Å; H554-E556 PolarHBondContact O-N 3.27Å; E556-S558 PolarHBondContact O-N 3.12Å; E556-S558 VanDerWaalsContact O-N 3.17Å; E556-L559 PolarHBondContact O-N 2.98Å; E556-L559 VanDerWaalsContact O-N 3.12Å; E556-L560 HydrophobicContact CB-CD1 4.22Å; E556-L560 HydrophobicContact CG-CD1 4Å; E556-L560 WeakPolarHBondContact O-CG 3.42Å; E556-L560 PolarHBondContact O-N 3.34Å; E556-K586 VanDerWaalsContact OE1-CD 3.31Å; E556-K586 WeakPolarHBondContact OE1-CD 3.16Å; E556-K586 WeakPolarHBondContact OE1-CE 3.43Å; E556-K586 IonicContact OE1-NZ 3.87Å; E556-K586 PolarHBondContact OE1-NZ 3.37Å; E556-K586 IonicContact OE2-NZ 2.86Å; E556-K586 PolarHBondContact OE2-NZ 3.37Å; E556-L605 HydrophobicContact CB-CD1 4.21Å; E556-L605 HydrophobicContact CB-CD2 4.19Å; E556-L605 HydrophobicContact CB-CG 4.48Å; E556-L605 WeakPolarHBondContact OE2-CD2 3.06Å
557K90.7Very high88Confident74 Ų7467 Ų6732%0.32233%0.329SS..Hα-helixtrans-55.5-39-177.2-69.9-175.7-176.8-174.60112.4L552 H554 N561L552-K557 HydrophobicContact CD1-CG 4.04Å; L552-K557 HydrophobicContact CD2-CD 4.39Å; L552-K557 HydrophobicContact CD2-CG 4.23Å; L552-K557 HydrophobicContact CG-CG 4.17Å; H554-K557 PolarHBondContact O-N 2.89Å; K557-N561 VanDerWaalsContact O-CB 3.29Å; K557-N561 WeakPolarHBondContact O-CB 3.15Å; K557-N561 PolarHBondContact O-N 3.2Å; K557-N561 PolarHBondContact O-ND2 2.72Å
558S91Very high87Confident98 Ų9868.7 Ų68.769%0.68535%0.348SS*.Hα-helixtrans-63.9-47.2179.9-172.80000111.5E556 N561 K562E556-S558 PolarHBondContact O-N 3.12Å; E556-S558 VanDerWaalsContact O-N 3.17Å; S558-N561 PolarHBondContact O-N 2.9Å; S558-K562 WeakPolarHBondContact O-CB 3.45Å; S558-K562 PolarHBondContact O-N 3.4Å
559L91.1Very high85.8Confident51 Ų5169.9 Ų69.927%0.26735%0.346SS..Hα-helixtrans-65.5-46.3179.1-179.759000111.6E556 N561 K562 I563 D602 L605E556-L559 PolarHBondContact O-N 2.98Å; E556-L559 VanDerWaalsContact O-N 3.12Å; L559-N561 PolarHBondContact O-N 2.91Å; L559-K562 WeakPolarHBondContact O-CA 3.46Å; L559-K562 WeakPolarHBondContact O-CB 3.39Å; L559-K562 PolarHBondContact O-N 3.28Å; L559-I563 HydrophobicContact CD1-CD1 4.47Å; L559-I563 HydrophobicContact CG-CD1 4.29Å; L559-I563 WeakPolarHBondContact O-CG1 3.44Å; L559-I563 PolarHBondContact O-N 3.35Å; L559-D602 HydrophobicContact CD2-CB 3.76Å; L559-L605 HydrophobicContact CD2-CD1 3.74Å; L559-L605 HydrophobicContact CG-CD1 4.39Å
560L93.1Very high85.3Confident0 Ų070.2 Ų70.20%035%0.352CS..Hα-helixtrans-61.1-42.4177.4-67.5169.7000111.9L552 E556 K562 I563 S564 V580 K586 L590 L605L552-L560 HydrophobicContact CD1-CD1 3.6Å; E556-L560 HydrophobicContact CB-CD1 4.22Å; E556-L560 HydrophobicContact CG-CD1 4Å; E556-L560 WeakPolarHBondContact O-CG 3.42Å; E556-L560 PolarHBondContact O-N 3.34Å; L560-K562 VanDerWaalsContact C-N 3.29Å; L560-K562 PolarHBondContact O-N 2.98Å; L560-I563 PolarHBondContact O-N 2.96Å; L560-S564 WeakPolarHBondContact O-CB 3.13Å; L560-S564 PolarHBondContact O-N 3.41Å; L560-V580 HydrophobicContact CB-CB 4.24Å; L560-V580 HydrophobicContact CB-CG1 4.26Å; L560-V580 HydrophobicContact CB-CG2 4.17Å; L560-V580 HydrophobicContact CD1-CG1 4.12Å; L560-K586 HydrophobicContact CD1-CB 4.16Å; L560-K586 HydrophobicContact CD1-CD 4.14Å; L560-K586 HydrophobicContact CD1-CG 3.9Å; L560-L590 HydrophobicContact CD2-CD2 3.91Å; L560-L590 HydrophobicContact CD2-CG 4.21Å; L560-L605 HydrophobicContact CD2-CD1 4.21Å; L560-L605 HydrophobicContact CD2-CD2 4.49Å; L560-L605 HydrophobicContact CG-CD1 4.46Å
561N93.3Very high85Confident18 Ų1872.5 Ų72.510%0.09637%0.369CS..Hα-helixtrans-67.9-27.6174.7-78.5-65.7000113K557 S558 L559 R565 R579 V580K557-N561 VanDerWaalsContact O-CB 3.29Å; K557-N561 WeakPolarHBondContact O-CB 3.15Å; K557-N561 PolarHBondContact O-N 3.2Å; K557-N561 PolarHBondContact O-ND2 2.72Å; S558-N561 PolarHBondContact O-N 2.9Å; L559-N561 PolarHBondContact O-N 2.91Å; N561-R565 WeakPolarHBondContact O-CB 3.41Å; N561-R565 WeakPolarHBondContact O-CG 3.28Å; N561-R565 PolarHBondContact O-N 3.16Å; N561-R565 PolarHBondContact OD1-NH2 3Å; N561-R579 WeakPolarHBondContact OD1-CA 3.29Å; N561-R579 WeakPolarHBondContact OD1-CB 3.42Å; N561-V580 PolarHBondContact OD1-N 3.27Å
562K91.7Very high85.1Confident159 Ų15968.8 Ų68.869%0.69136%0.355SS*.Hα-helixtrans-69.8-42.8172.8-174.9-177.5177.5-1760110.8S558 L559 L560 A566S558-K562 WeakPolarHBondContact O-CB 3.45Å; S558-K562 PolarHBondContact O-N 3.4Å; L559-K562 WeakPolarHBondContact O-CA 3.46Å; L559-K562 WeakPolarHBondContact O-CB 3.39Å; L559-K562 PolarHBondContact O-N 3.28Å; L560-K562 VanDerWaalsContact C-N 3.29Å; L560-K562 PolarHBondContact O-N 2.98Å; K562-A566 PolarHBondContact O-N 3.38Å; K562-A566 VanDerWaalsContact O-N 3.09Å
563I90.8Very high85Confident9 Ų970.6 Ų70.65%0.04636%0.36CS..Hα-helixtrans-63-50.7174.6-67.3168.5000110.3L559 L560 R565 A566 L572 A593 V598L559-I563 HydrophobicContact CD1-CD1 4.47Å; L559-I563 HydrophobicContact CG-CD1 4.29Å; L559-I563 WeakPolarHBondContact O-CG1 3.44Å; L559-I563 PolarHBondContact O-N 3.35Å; L560-I563 PolarHBondContact O-N 2.96Å; I563-R565 VanDerWaalsContact C-N 3.26Å; I563-R565 PolarHBondContact O-N 3.4Å; I563-A566 VanDerWaalsContact O-CB 3.28Å; I563-A566 WeakPolarHBondContact O-CB 3.44Å; I563-A566 PolarHBondContact O-N 2.69Å; I563-A566 VanDerWaalsContact O-N 3.11Å; I563-L572 HydrophobicContact CG2-CD2 4Å; I563-A593 HydrophobicContact CG2-CB 4.02Å; I563-V598 HydrophobicContact CG2-CG1 4.19Å
564S90Very high85.3Confident9 Ų968.6 Ų68.66%0.06335%0.353CS..Hα-helixtrans-62.2-28.5-178.4135.60000114L560 I576L560-S564 WeakPolarHBondContact O-CB 3.13Å; L560-S564 PolarHBondContact O-N 3.41Å; S564-I576 PolarHBondContact OG-O 3.16Å
565R87.6Confident85.6Confident134 Ų13463.9 Ų63.951%0.50634%0.337SS..THydrogen-bonded Turntrans-100.54.4178.2-62-176.4-160.3127.116.2113.8N561 I563N561-R565 WeakPolarHBondContact O-CB 3.41Å; N561-R565 WeakPolarHBondContact O-CG 3.28Å; N561-R565 PolarHBondContact O-N 3.16Å; N561-R565 PolarHBondContact OD1-NH2 3Å; I563-R565 VanDerWaalsContact C-N 3.26Å; I563-R565 PolarHBondContact O-N 3.4Å
566A85.8Confident85.9Confident31 Ų3159.1 Ų59.126%0.25630%0.304SS..  trans-60.4140.4177.400000109.8K562 I563 S570 S571K562-A566 PolarHBondContact O-N 3.38Å; K562-A566 VanDerWaalsContact O-N 3.09Å; I563-A566 VanDerWaalsContact O-CB 3.28Å; I563-A566 WeakPolarHBondContact O-CB 3.44Å; I563-A566 PolarHBondContact O-N 2.69Å; I563-A566 VanDerWaalsContact O-N 3.11Å; A566-S570 VanDerWaalsContact CB-O 3.29Å; A566-S570 WeakPolarHBondContact CB-O 3.49Å; A566-S571 WeakPolarHBondContact O-CA 3.46Å; A566-S571 VanDerWaalsContact O-CB 3.28Å; A566-S571 WeakPolarHBondContact O-CB 3.18Å
567K79.4Confident85.7Confident192 Ų19267.3 Ų67.384%0.83534%0.342SS*.  trans-111.6154.1179.6-64.1-174178.3-174.90109.7
568G73.1Confident85.6Confident42 Ų4266.3 Ų66.343%0.43334%0.344SS..G310 helixtrans76.9-139.8177.300000112.8S570 S571G568-S570 PolarHBondContact O-N 2.73Å; G568-S570 VanDerWaalsContact O-N 3.09Å; G568-S571 VanDerWaalsContact O-CB 3.27Å; G568-S571 WeakPolarHBondContact O-CB 3.49Å; G568-S571 PolarHBondContact O-N 2.84Å; G568-S571 PolarHBondContact O-OG 2.78Å
569R61.3Low85.6Confident123 Ų12369.7 Ų69.746%0.46434%0.342SS..G310 helixtrans-55.7-29.7-174.2-66.5-176.7-175.9127.8-3.7114.1S990 D994R569-S990 PolarHBondContact NE-OG 2.67Å; R569-S990 PolarHBondContact NH2-O 3.14Å; R569-S990 PolarHBondContact NH2-OG 2.84Å; R569-D994 IonicContact CZ-OD2 2.9Å; R569-D994 IonicContact NH1-OD2 2.86Å; R569-D994 PolarHBondContact NH1-OD2 2.99Å; R569-D994 IonicContact NH2-OD2 3.06Å; R569-D994 PolarHBondContact NH2-OD2 2.81Å
570S70.3Confident85.7Confident60 Ų6067.3 Ų67.342%0.4233%0.33SS..G310 helixtrans-95.28.7-179.8-49.10000113.3A566 G568A566-S570 VanDerWaalsContact CB-O 3.29Å; A566-S570 WeakPolarHBondContact CB-O 3.49Å; G568-S570 PolarHBondContact O-N 2.73Å; G568-S570 VanDerWaalsContact O-N 3.09Å
571S82.9Confident85.6Confident54 Ų5474.4 Ų74.438%0.37836%0.36SS..  trans-73.3141.9176.463.90000111A566 G568A566-S571 WeakPolarHBondContact O-CA 3.46Å; A566-S571 VanDerWaalsContact O-CB 3.28Å; A566-S571 WeakPolarHBondContact O-CB 3.18Å; G568-S571 VanDerWaalsContact O-CB 3.27Å; G568-S571 WeakPolarHBondContact O-CB 3.49Å; G568-S571 PolarHBondContact O-N 2.84Å; G568-S571 PolarHBondContact O-OG 2.78Å
572L88.1Confident85.5Confident7 Ų777.2 Ų77.24%0.03738%0.375CS..  trans-68.5144174.2-56.1-177.9000109.9I563 F574 I576 Q592 A593 V598I563-L572 HydrophobicContact CG2-CD2 4Å; L572-F574 PolarHBondContact O-N 3.04Å; L572-I576 HydrophobicContact CD1-CD1 4.12Å; L572-I576 HydrophobicContact CD1-CG1 4.28Å; L572-Q592 HydrophobicContact CB-CB 4.28Å; L572-Q592 HydrophobicContact CD1-CB 4.37Å; L572-Q592 HydrophobicContact CD2-CB 3.92Å; L572-Q592 HydrophobicContact CG-CB 4.42Å; L572-A593 HydrophobicContact CD2-CB 4.28Å; L572-V598 HydrophobicContact CD2-CG2 4.4Å
573R87.2Confident85.6Confident70 Ų7071.1 Ų71.126%0.26436%0.355SS..SBendtrans-55.1-42.2178.3180177.3177-172.8-0.5111.5E665 W675R573-E665 IonicContact CZ-OE1 3.08Å; R573-E665 IonicContact NH1-OE1 3.5Å; R573-E665 PolarHBondContact NH1-OE1 2.69Å; R573-E665 VanDerWaalsContact NH1-OE1 3.17Å; R573-E665 IonicContact NH2-OE1 3.3Å; R573-E665 PolarHBondContact NH2-OE1 2.68Å; R573-W675 HydrophobicContact CB-CZ2 4.11Å
574F90.7Very high85.8Confident34 Ų3472.1 Ų72.115%0.14936%0.362CS..SBendtrans-115.695.2175.9-50.6-74000108.7V534 E535 L538 L572 I576 Q592 W675V534-F574 HydrophobicContact CB-CZ 4.38Å; V534-F574 HydrophobicContact CG1-CE2 4.14Å; V534-F574 HydrophobicContact CG1-CZ 4.25Å; E535-F574 HydrophobicContact CB-CD1 3.85Å; E535-F574 HydrophobicContact CB-CD2 4.38Å; E535-F574 HydrophobicContact CB-CE1 4.02Å; E535-F574 HydrophobicContact CB-CG 4.04Å; E535-F574 HydrophobicContact CB-CZ 4.34Å; E535-F574 HydrophobicContact CG-CB 4.06Å; E535-F574 HydrophobicContact CG-CD1 4.1Å; E535-F574 HydrophobicContact CG-CG 4.01Å; L538-F574 HydrophobicContact CD1-CD2 3.73Å; L538-F574 HydrophobicContact CD1-CE2 4.08Å; L572-F574 PolarHBondContact O-N 3.04Å; F574-I576 PolarHBondContact O-N 3.03Å; F574-Q592 PolarHBondContact O-NE2 2.86Å; F574-Q592 PolarHBondContact O-OE1 3.48Å; F574-W675 HydrophobicContact CD2-CH2 4.34Å; F574-W675 HydrophobicContact CD2-CZ2 4.43Å; F574-W675 AromaticContact CE2-CH2 3.87Å; F574-W675 HydrophobicContact CE2-CH2 3.87Å; F574-W675 HydrophobicContact CE2-CZ2 4.28Å; F574-W675 HydrophobicContact CE2-CZ3 4.33Å
575P88Confident86Confident61 Ų6172.6 Ų72.640%0.39636%0.364SS..  trans-60.9128.2-173.9-25.635000113.3H577P575-H577 PolarHBondContact O-N 2.74Å
576I89.7Confident86.4Confident7 Ų766.2 Ų66.24%0.03634%0.34CS..  trans-81.8105.5174.4-55.7173.2000108.6S564 L572 F574 L585 V588 C589S564-I576 PolarHBondContact OG-O 3.16Å; L572-I576 HydrophobicContact CD1-CD1 4.12Å; L572-I576 HydrophobicContact CD1-CG1 4.28Å; F574-I576 PolarHBondContact O-N 3.03Å; I576-L585 HydrophobicContact CG2-CD2 4.03Å; I576-V588 HydrophobicContact CD1-CG1 4.14Å; I576-V588 HydrophobicContact CG1-CG1 4.49Å; I576-C589 HydrophobicContact CD1-CB 3.69Å
577H84.6Confident86.9Confident181 Ų18164.8 Ų64.884%0.83833%0.328SS*.  trans-71.5-29.4-176.8-61.1-59.2000113.8P575P575-H577 PolarHBondContact O-N 2.74Å
578S87.8Confident87.7Confident52 Ų5255.7 Ų55.736%0.36429%0.288SS..SBendtrans-85.8160.8178.168.10000112.5
579R91.1Very high88.8Confident169 Ų16953.7 Ų53.764%0.63827%0.268SS*.  trans-61.9143.4165.2-52.7-159172164-2.2109.8N561 K581N561-R579 WeakPolarHBondContact OD1-CA 3.29Å; N561-R579 WeakPolarHBondContact OD1-CB 3.42Å; R579-K581 HydrophobicContact CB-CG 4.29Å; R579-K581 WeakPolarHBondContact O-CG 3.47Å; R579-K581 PolarHBondContact O-N 3.46Å
580V92.1Very high90.4Very high2 Ų247.8 Ų47.81%0.01225%0.246CC..  trans-66.6103.7171.6-177.80000108.5L552 L560 N561 L585 K586L552-V580 HydrophobicContact CD1-CG1 4.21Å; L552-V580 HydrophobicContact CD2-CG1 4.48Å; L560-V580 HydrophobicContact CB-CB 4.24Å; L560-V580 HydrophobicContact CB-CG1 4.26Å; L560-V580 HydrophobicContact CB-CG2 4.17Å; L560-V580 HydrophobicContact CD1-CG1 4.12Å; N561-V580 PolarHBondContact OD1-N 3.27Å; V580-L585 HydrophobicContact CG1-CB 4.06Å; V580-K586 HydrophobicContact CG1-CB 4.19Å
581K91.8Very high91.6Very high149 Ų14945 Ų4565%0.64823%0.226SC*.  trans-111.5-25.4-170.3-75.1172.7-173.8-177.10114.3L552 R579L552-K581 VanDerWaalsContact CD2-O 3.27Å; L552-K581 WeakPolarHBondContact CD2-O 3.28Å; R579-K581 HydrophobicContact CB-CG 4.29Å; R579-K581 WeakPolarHBondContact O-CG 3.47Å; R579-K581 PolarHBondContact O-N 3.46Å
582N92.4Very high92.1Very high77 Ų7742.4 Ų42.441%0.41221%0.208SC..SBendtrans-134174.2-176.360.616.8000111.2L585 K586N582-L585 VanDerWaalsContact OD1-CB 3.28Å; N582-L585 WeakPolarHBondContact OD1-CB 3.48Å; N582-L585 WeakPolarHBondContact OD1-CG 3.24Å; N582-L585 PolarHBondContact OD1-N 3.35Å; N582-K586 PolarHBondContact O-N 3.38Å
583A92.8Very high92.4Very high31 Ų3142.1 Ų42.126%0.25621%0.206SC..Hα-helixtrans-62.6-43179.700000112.7I550 L585 K586 V587I550-A583 WeakPolarHBondContact O-CB 3.14Å; A583-L585 VanDerWaalsContact C-N 3.34Å; A583-L585 PolarHBondContact O-N 2.94Å; A583-K586 CarbonylContact O-C 3.59Å; A583-K586 WeakPolarHBondContact O-CA 3.41Å; A583-K586 VanDerWaalsContact O-CB 3.27Å; A583-K586 WeakPolarHBondContact O-CB 3.44Å; A583-K586 PolarHBondContact O-N 3.35Å; A583-V587 WeakPolarHBondContact O-CG2 3.36Å; A583-V587 PolarHBondContact O-N 3.05Å
584S94.6Very high92.6Very high29 Ų2940.4 Ų40.420%0.20320%0.201CC..Hα-helixtrans-58.3-44.6-180-40.10000112.1A542 N543 K586 V587 V588A542-S584 WeakPolarHBondContact CB-O 3.43Å; N543-S584 WeakPolarHBondContact OD1-CB 3.43Å; N543-S584 PolarHBondContact OD1-OG 2.88Å; S584-K586 VanDerWaalsContact C-N 3.3Å; S584-K586 PolarHBondContact O-N 2.86Å; S584-V587 PolarHBondContact O-N 3.37Å; S584-V588 WeakPolarHBondContact O-CG2 3.4Å; S584-V588 PolarHBondContact O-N 3.22Å
585L95.5Very high92.6Very high20 Ų2038.8 Ų38.811%0.10519%0.194CC..Hα-helixtrans-66.6-30.4175.7-71.1174.4000112.9Y539 I576 V580 N582 A583 C589Y539-L585 HydrophobicContact CE1-CD2 3.96Å; I576-L585 HydrophobicContact CG2-CD2 4.03Å; V580-L585 HydrophobicContact CG1-CB 4.06Å; N582-L585 VanDerWaalsContact OD1-CB 3.28Å; N582-L585 WeakPolarHBondContact OD1-CB 3.48Å; N582-L585 WeakPolarHBondContact OD1-CG 3.24Å; N582-L585 PolarHBondContact OD1-N 3.35Å; A583-L585 VanDerWaalsContact C-N 3.34Å; A583-L585 PolarHBondContact O-N 2.94Å; L585-C589 WeakPolarHBondContact O-CB 3.3Å; L585-C589 PolarHBondContact O-N 3.28Å
586K95.7Very high92.6Very high0 Ų036.5 Ų36.50%018%0.181CC..Hα-helixtrans-64.9-46.7171.4168.1179.6174.1175.50110.3I550 R551 L552 E556 L560 V580 N582 A583 S584 C589 L590 E608I550-K586 HydrophobicContact CG2-CD 4.16Å; R551-K586 PolarHBondContact O-NZ 2.76Å; L552-K586 HydrophobicContact CD1-CB 4.18Å; L552-K586 HydrophobicContact CD1-CD 4.07Å; E556-K586 VanDerWaalsContact OE1-CD 3.31Å; E556-K586 WeakPolarHBondContact OE1-CD 3.16Å; E556-K586 WeakPolarHBondContact OE1-CE 3.43Å; E556-K586 IonicContact OE1-NZ 3.87Å; E556-K586 PolarHBondContact OE1-NZ 3.37Å; E556-K586 IonicContact OE2-NZ 2.86Å; E556-K586 PolarHBondContact OE2-NZ 3.37Å; L560-K586 HydrophobicContact CD1-CB 4.16Å; L560-K586 HydrophobicContact CD1-CD 4.14Å; L560-K586 HydrophobicContact CD1-CG 3.9Å; V580-K586 HydrophobicContact CG1-CB 4.19Å; N582-K586 PolarHBondContact O-N 3.38Å; A583-K586 CarbonylContact O-C 3.59Å; A583-K586 WeakPolarHBondContact O-CA 3.41Å; A583-K586 VanDerWaalsContact O-CB 3.27Å; A583-K586 WeakPolarHBondContact O-CB 3.44Å; A583-K586 PolarHBondContact O-N 3.35Å; S584-K586 VanDerWaalsContact C-N 3.3Å; S584-K586 PolarHBondContact O-N 2.86Å; K586-C589 WeakPolarHBondContact O-CB 3.36Å; K586-C589 PolarHBondContact O-N 3.21Å; K586-L590 HydrophobicContact CG-CD1 3.85Å; K586-L590 HydrophobicContact CG-CG 4.37Å; K586-L590 WeakPolarHBondContact O-CB 3.17Å; K586-L590 WeakPolarHBondContact O-CG 3.44Å; K586-L590 PolarHBondContact O-N 3.24Å; K586-E608 WeakPolarHBondContact CE-OE2 3.49Å; K586-E608 VanDerWaalsContact NZ-CD 3.33Å; K586-E608 IonicContact NZ-OE1 3.19Å; K586-E608 PolarHBondContact NZ-OE1 3.46Å; K586-E608 IonicContact NZ-OE2 2.69Å; K586-E608 PolarHBondContact NZ-OE2 2.87Å
587V96.2Very high92.5Very high1 Ų139.6 Ų39.61%0.00620%0.196CC..Hα-helixtrans-59-50.3177.8172.30000111A542 M547 I550 A583 S584 C589 L590 L591 I612A542-V587 HydrophobicContact CB-CB 3.93Å; A542-V587 HydrophobicContact CB-CG1 3.79Å; M547-V587 HydrophobicContact CG-CG1 4.41Å; M547-V587 HydrophobicContact SD-CG1 4.16Å; I550-V587 HydrophobicContact CB-CG2 4.2Å; I550-V587 HydrophobicContact CG1-CG2 4.35Å; I550-V587 HydrophobicContact CG2-CG2 3.96Å; A583-V587 WeakPolarHBondContact O-CG2 3.36Å; A583-V587 PolarHBondContact O-N 3.05Å; S584-V587 PolarHBondContact O-N 3.37Å; V587-C589 VanDerWaalsContact C-N 3.34Å; V587-C589 PolarHBondContact O-N 3.42Å; V587-L590 PolarHBondContact O-N 2.77Å; V587-L591 HydrophobicContact CG1-CD1 3.96Å; V587-L591 HydrophobicContact CG1-CG 4.48Å; V587-L591 WeakPolarHBondContact O-CB 3.48Å; V587-L591 PolarHBondContact O-N 3.16Å; V587-I612 HydrophobicContact CB-CD1 4.5Å; V587-I612 HydrophobicContact CG1-CG2 3.76Å; V587-I612 HydrophobicContact CG2-CD1 4.06Å; V587-I612 HydrophobicContact CG2-CG1 4.43Å
588V96.4Very high92.7Very high0 Ų031.7 Ų31.70%016%0.16CC..Hα-helixtrans-58.8-45.3176.2174.80000111.1Y539 A542 I576 S584 L590 Q592Y539-V588 HydrophobicContact CD1-CG2 3.89Å; Y539-V588 HydrophobicContact CE1-CG1 4.5Å; Y539-V588 HydrophobicContact CE1-CG2 4.06Å; Y539-V588 HydrophobicContact CE2-CG1 4.48Å; Y539-V588 HydrophobicContact CG-CG2 4.23Å; A542-V588 HydrophobicContact CB-CG2 3.67Å; I576-V588 HydrophobicContact CD1-CG1 4.14Å; I576-V588 HydrophobicContact CG1-CG1 4.49Å; S584-V588 WeakPolarHBondContact O-CG2 3.4Å; S584-V588 PolarHBondContact O-N 3.22Å; V588-L590 PolarHBondContact O-N 2.95Å; V588-Q592 HydrophobicContact CG1-CG 4.41Å; V588-Q592 WeakPolarHBondContact O-CB 3.12Å; V588-Q592 VanDerWaalsContact O-CG 3.28Å; V588-Q592 WeakPolarHBondContact O-CG 3.38Å; V588-Q592 PolarHBondContact O-N 3.47Å
589C95.6Very high92.6Very high0 Ų032.8 Ų32.80%017%0.173CC..Hα-helixtrans-60.7-43.9178.8-173.70000112.1I576 L585 K586 V587 A593I576-C589 HydrophobicContact CD1-CB 3.69Å; L585-C589 WeakPolarHBondContact O-CB 3.3Å; L585-C589 PolarHBondContact O-N 3.28Å; K586-C589 WeakPolarHBondContact O-CB 3.36Å; K586-C589 PolarHBondContact O-N 3.21Å; V587-C589 VanDerWaalsContact C-N 3.34Å; V587-C589 PolarHBondContact O-N 3.42Å; C589-A593 WeakPolarHBondContact O-CB 3.22Å; C589-A593 PolarHBondContact O-N 3.31Å
590L95.5Very high92.4Very high0 Ų025.7 Ų25.70%015%0.147CC..Hα-helixtrans-72.2-42.3-178.5-69.6175.7000112.2L560 K586 V587 V588 Q592 A593 Q594 I600 L605 I612L560-L590 HydrophobicContact CD2-CD2 3.91Å; L560-L590 HydrophobicContact CD2-CG 4.21Å; K586-L590 HydrophobicContact CG-CD1 3.85Å; K586-L590 HydrophobicContact CG-CG 4.37Å; K586-L590 WeakPolarHBondContact O-CB 3.17Å; K586-L590 WeakPolarHBondContact O-CG 3.44Å; K586-L590 PolarHBondContact O-N 3.24Å; V587-L590 PolarHBondContact O-N 2.77Å; V588-L590 PolarHBondContact O-N 2.95Å; L590-Q592 PolarHBondContact O-N 3.3Å; L590-A593 PolarHBondContact O-N 2.83Å; L590-Q594 WeakPolarHBondContact O-CB 3.32Å; L590-Q594 PolarHBondContact O-N 3.47Å; L590-I600 HydrophobicContact CD2-CD1 4.03Å; L590-L605 HydrophobicContact CD1-CD2 4.27Å; L590-L605 HydrophobicContact CD2-CB 4.34Å; L590-L605 HydrophobicContact CD2-CD2 4.43Å; L590-I612 HydrophobicContact CB-CD1 4.28Å; L590-I612 HydrophobicContact CD1-CD1 3.8Å
591L94.7Very high91.9Very high1 Ų132.7 Ų32.71%0.00518%0.184CC..Hα-helixtrans-56.4-51.3173.4-82171.7000110.9L538 I541 V587 A593 Q594 L595 I612 L613 A616L538-L591 HydrophobicContact CD2-CB 4.38Å; L538-L591 HydrophobicContact CD2-CD1 4.24Å; I541-L591 HydrophobicContact CG2-CD1 4.13Å; V587-L591 HydrophobicContact CG1-CD1 3.96Å; V587-L591 HydrophobicContact CG1-CG 4.48Å; V587-L591 WeakPolarHBondContact O-CB 3.48Å; V587-L591 PolarHBondContact O-N 3.16Å; L591-A593 VanDerWaalsContact C-N 3.34Å; L591-A593 PolarHBondContact O-N 2.87Å; L591-Q594 PolarHBondContact O-N 3.29Å; L591-L595 VanDerWaalsContact O-CG 3.28Å; L591-L595 WeakPolarHBondContact O-CG 3.38Å; L591-L595 PolarHBondContact O-N 2.99Å; L591-I612 HydrophobicContact CD1-CG2 3.98Å; L591-I612 HydrophobicContact CD2-CG2 3.57Å; L591-I612 HydrophobicContact CG-CG2 3.46Å; L591-I612 VanDerWaalsContact CG-CG2 3.46Å; L591-L613 HydrophobicContact CD2-CD2 3.98Å; L591-A616 HydrophobicContact CD2-CB 4.19Å
592Q94.4Very high91.5Very high0 Ų028.5 Ų28.50%017%0.169CC..Hα-helixtrans-66.3-37179.8-68.6-160.868.900112.8L538 L572 F574 V588 L590 G596 W675L538-Q592 HydrophobicContact CD1-CG 3.79Å; L572-Q592 HydrophobicContact CB-CB 4.28Å; L572-Q592 HydrophobicContact CD1-CB 4.37Å; L572-Q592 HydrophobicContact CD2-CB 3.92Å; L572-Q592 HydrophobicContact CG-CB 4.42Å; F574-Q592 PolarHBondContact O-NE2 2.86Å; F574-Q592 PolarHBondContact O-OE1 3.48Å; V588-Q592 HydrophobicContact CG1-CG 4.41Å; V588-Q592 WeakPolarHBondContact O-CB 3.12Å; V588-Q592 VanDerWaalsContact O-CG 3.28Å; V588-Q592 WeakPolarHBondContact O-CG 3.38Å; V588-Q592 PolarHBondContact O-N 3.47Å; L590-Q592 PolarHBondContact O-N 3.3Å; Q592-G596 PolarHBondContact O-N 3.01Å; Q592-W675 HydrophobicContact CB-CZ2 4.48Å; Q592-W675 HydrophobicContact CG-CZ2 4.12Å
593A93.2Very high90.9Very high0 Ų028.6 Ų28.60%016%0.164CC..Hα-helixtrans-62.4-44.1176.300000111.1I563 L572 C589 L590 L591 G596 Q597 V598 I600I563-A593 HydrophobicContact CG2-CB 4.02Å; L572-A593 HydrophobicContact CD2-CB 4.28Å; C589-A593 WeakPolarHBondContact O-CB 3.22Å; C589-A593 PolarHBondContact O-N 3.31Å; L590-A593 PolarHBondContact O-N 2.83Å; L591-A593 VanDerWaalsContact C-N 3.34Å; L591-A593 PolarHBondContact O-N 2.87Å; A593-G596 CarbonylContact O-C 3.51Å; A593-G596 PolarHBondContact O-N 3.25Å; A593-Q597 PolarHBondContact O-N 3.39Å; A593-V598 HydrophobicContact CB-CB 4.07Å; A593-V598 PolarHBondContact O-N 2.94Å; A593-I600 HydrophobicContact CB-CD1 4.17Å; A593-I600 HydrophobicContact CB-CG1 4.44Å
594Q91.7Very high90.3Very high35 Ų3528.3 Ų28.316%0.16416%0.16CC..Hα-helixtrans-64.7-51.2176.8-173.282.3-21.600111.7L590 L591 G596 Q597 L613L590-Q594 WeakPolarHBondContact O-CB 3.32Å; L590-Q594 PolarHBondContact O-N 3.47Å; L591-Q594 PolarHBondContact O-N 3.29Å; Q594-G596 PolarHBondContact O-N 3.2Å; Q594-Q597 PolarHBondContact O-N 3.42Å; Q594-Q597 PolarHBondContact O-NE2 2.9Å; Q594-L613 HydrophobicContact CB-CD1 4.43Å; Q594-L613 HydrophobicContact CG-CD1 3.54Å; Q594-L613 HydrophobicContact CG-CD2 4.23Å; Q594-L613 HydrophobicContact CG-CG 4.32Å
595L90.6Very high90Very high0 Ų027 Ų270%015%0.151CC..Hα-helixtrans-64.7-27-179.3-64.2177.6000112.5L591 L666 S669 I670 R674 W675L591-L595 VanDerWaalsContact O-CG 3.28Å; L591-L595 WeakPolarHBondContact O-CG 3.38Å; L591-L595 PolarHBondContact O-N 2.99Å; L595-L666 HydrophobicContact CD1-CD1 4.35Å; L595-S669 VanDerWaalsContact CD2-O 3.3Å; L595-S669 WeakPolarHBondContact CD2-O 3.28Å; L595-I670 HydrophobicContact CD1-CG1 4.32Å; L595-I670 HydrophobicContact CD2-CG1 4.28Å; L595-R674 CarbonylContact O-C 3.52Å; L595-R674 WeakPolarHBondContact O-CA 3.33Å; L595-W675 VanDerWaalsContact C-CD1 3.44Å; L595-W675 HydrophobicContact CB-CD2 3.8Å; L595-W675 VanDerWaalsContact CB-CE2 3.47Å; L595-W675 HydrophobicContact CB-CE3 4.4Å; L595-W675 HydrophobicContact CB-CG 4.1Å; L595-W675 HydrophobicContact CB-CH2 4.45Å; L595-W675 HydrophobicContact CB-CZ2 3.85Å; L595-W675 HydrophobicContact CD1-CD2 4.26Å; L595-W675 HydrophobicContact CD1-CE3 4.06Å; L595-W675 HydrophobicContact CD1-CH2 3.47Å; L595-W675 VanDerWaalsContact CD1-CH2 3.47Å; L595-W675 HydrophobicContact CD1-CZ2 3.68Å; L595-W675 HydrophobicContact CD1-CZ3 3.68Å; L595-W675 HydrophobicContact CG-CZ2 4.41Å; L595-W675 PolarHBondContact O-N 3.46Å
596G89.1Confident89.6Confident12 Ų1232.3 Ų32.312%0.12417%0.173CC..THydrogen-bonded Turntrans-90.84.5173.300000114.8Q592 A593 Q594 V598 Y678Q592-G596 PolarHBondContact O-N 3.01Å; A593-G596 CarbonylContact O-C 3.51Å; A593-G596 PolarHBondContact O-N 3.25Å; Q594-G596 PolarHBondContact O-N 3.2Å; G596-V598 PolarHBondContact O-N 3.03Å; G596-Y678 PolarHBondContact O-OH 2.81Å; G596-Y678 VanDerWaalsContact O-OH 3.11Å
597Q87.3Confident89Confident73 Ų7333.4 Ų33.434%0.34118%0.178SC..THydrogen-bonded Turntrans53.336.9-179.7-59-69.5-37.900113.3A593 Q594 R673 R674A593-Q597 PolarHBondContact O-N 3.39Å; Q594-Q597 PolarHBondContact O-N 3.42Å; Q594-Q597 PolarHBondContact O-NE2 2.9Å; Q597-R673 PolarHBondContact NE2-O 3.44Å; Q597-R674 HydrophobicContact CG-CG 4.07Å
598V88.6Confident88.6Confident15 Ų1534.5 Ų34.59%0.09118%0.183CC..  trans-78.4125.8174.9-177.50000108.6I563 L572 A593 G596 I600I563-V598 HydrophobicContact CG2-CG1 4.19Å; L572-V598 HydrophobicContact CD2-CG2 4.4Å; A593-V598 HydrophobicContact CB-CB 4.07Å; A593-V598 PolarHBondContact O-N 2.94Å; G596-V598 PolarHBondContact O-N 3.03Å; V598-I600 PolarHBondContact O-N 3.28Å
599A85.8Confident88.4Confident75 Ų7534.7 Ų34.762%0.6218%0.184SC*.  trans-59.7118.9-178.800000112.5
600I86.7Confident88Confident20 Ų2036.2 Ų36.210%0.10319%0.192CC..  trans-104.196.4172.7-57.2169.9000107.9L590 A593 V598 D602 L605 K606L590-I600 HydrophobicContact CD2-CD1 4.03Å; A593-I600 HydrophobicContact CB-CD1 4.17Å; A593-I600 HydrophobicContact CB-CG1 4.44Å; V598-I600 PolarHBondContact O-N 3.28Å; I600-D602 VanDerWaalsContact C-N 3.3Å; I600-D602 PolarHBondContact O-N 3.14Å; I600-L605 HydrophobicContact CG2-CB 3.65Å; I600-K606 HydrophobicContact CG2-CB 4.48Å
601N82.2Confident87.5Confident148 Ų14838 Ų3879%0.79120%0.199SC*.  trans-79.1-10.7-175.8-63.6-10.9000113.8
602D83.6Confident87.5Confident62 Ų6238 Ų3833%0.33220%0.199SC..  trans-87.8118.6176.5-175.2-84.8000110L559 I600 S604 L605 K606L559-D602 HydrophobicContact CD2-CB 3.76Å; I600-D602 VanDerWaalsContact C-N 3.3Å; I600-D602 PolarHBondContact O-N 3.14Å; D602-S604 VanDerWaalsContact C-N 3.27Å; D602-S604 PolarHBondContact O-N 3.33Å; D602-S604 WeakPolarHBondContact OD1-CA 3.32Å; D602-S604 WeakPolarHBondContact OD1-CB 3.17Å; D602-S604 PolarHBondContact OD1-N 3.14Å; D602-S604 PolarHBondContact OD1-OG 2.96Å; D602-L605 HydrophobicContact CB-CB 4.12Å; D602-L605 HydrophobicContact CB-CD1 4.03Å; D602-L605 HydrophobicContact CB-CG 4.12Å; D602-L605 PolarHBondContact O-N 3.26Å; D602-L605 PolarHBondContact OD1-N 3.44Å; D602-K606 PolarHBondContact O-N 3.19Å
603Y78.7Confident87.4Confident79 Ų7938.3 Ų38.331%0.3120%0.201SC..Hα-helixtrans-58.4-39.2-177.6-179.4-104.3000112.6V319 K606 Q607V319-Y603 WeakPolarHBondContact CG2-OH 3.45Å; Y603-K606 PolarHBondContact O-N 3.4Å; Y603-Q607 VanDerWaalsContact CE1-CD 3.47Å; Y603-Q607 HydrophobicContact CE1-CG 4.25Å; Y603-Q607 PolarHBondContact O-N 3.33Å; Y603-Q607 PolarHBondContact OH-NE2 3.28Å
604S80.5Confident87.2Confident25 Ų2543.1 Ų43.118%0.17522%0.224CC..Hα-helixtrans-71-37.4-177.680.10000112.4R553 D602 E608R553-S604 PolarHBondContact NH1-OG 2.73Å; D602-S604 VanDerWaalsContact C-N 3.27Å; D602-S604 PolarHBondContact O-N 3.33Å; D602-S604 WeakPolarHBondContact OD1-CA 3.32Å; D602-S604 WeakPolarHBondContact OD1-CB 3.17Å; D602-S604 PolarHBondContact OD1-N 3.14Å; D602-S604 PolarHBondContact OD1-OG 2.96Å; S604-E608 PolarHBondContact O-N 3Å; S604-E608 VanDerWaalsContact O-N 3.09Å
605L88.9Confident87.1Confident0 Ų041.8 Ų41.80%022%0.218CC..Hα-helixtrans-68.9-34.7172.3-71.1-179.3000112.2E556 L559 L560 L590 I600 D602 E608 S609E556-L605 HydrophobicContact CB-CD1 4.21Å; E556-L605 HydrophobicContact CB-CD2 4.19Å; E556-L605 HydrophobicContact CB-CG 4.48Å; E556-L605 WeakPolarHBondContact OE2-CD2 3.06Å; L559-L605 HydrophobicContact CD2-CD1 3.74Å; L559-L605 HydrophobicContact CG-CD1 4.39Å; L560-L605 HydrophobicContact CD2-CD1 4.21Å; L560-L605 HydrophobicContact CD2-CD2 4.49Å; L560-L605 HydrophobicContact CG-CD1 4.46Å; L590-L605 HydrophobicContact CD1-CD2 4.27Å; L590-L605 HydrophobicContact CD2-CB 4.34Å; L590-L605 HydrophobicContact CD2-CD2 4.43Å; I600-L605 HydrophobicContact CG2-CB 3.65Å; D602-L605 HydrophobicContact CB-CB 4.12Å; D602-L605 HydrophobicContact CB-CD1 4.03Å; D602-L605 HydrophobicContact CB-CG 4.12Å; D602-L605 PolarHBondContact O-N 3.26Å; D602-L605 PolarHBondContact OD1-N 3.44Å; L605-E608 PolarHBondContact O-N 3.12Å; L605-S609 WeakPolarHBondContact O-CB 3.44Å; L605-S609 PolarHBondContact O-N 3.46Å
606K87.2Confident87.3Confident132 Ų13241.8 Ų41.857%0.57422%0.218SC*.Hα-helixtrans-62.9-47.1176.1-171.9178.3179.2-177.80111I600 D602 Y603 S609 E610I600-K606 HydrophobicContact CG2-CB 4.48Å; D602-K606 PolarHBondContact O-N 3.19Å; Y603-K606 PolarHBondContact O-N 3.4Å; K606-S609 PolarHBondContact O-N 3.36Å; K606-S609 PolarHBondContact O-OG 3.06Å; K606-E610 PolarHBondContact O-N 3.23Å; K606-E610 VanDerWaalsContact O-N 3.17Å
607Q82.4Confident87.4Confident23 Ų2343.7 Ų43.711%0.10723%0.225CC..Hα-helixtrans-60.7-45.8174.2-71.1-179.2-2500112.4Y603 S609 E610 K611 W1332Y603-Q607 VanDerWaalsContact CE1-CD 3.47Å; Y603-Q607 HydrophobicContact CE1-CG 4.25Å; Y603-Q607 PolarHBondContact O-N 3.33Å; Y603-Q607 PolarHBondContact OH-NE2 3.28Å; Q607-S609 VanDerWaalsContact C-N 3.3Å; Q607-S609 PolarHBondContact O-N 3.15Å; Q607-E610 PolarHBondContact O-N 3.05Å; Q607-K611 PolarHBondContact O-N 3.41Å; Q607-K611 VanDerWaalsContact O-N 3.15Å; Q607-W1332 HydrophobicContact CB-CD2 4.14Å; Q607-W1332 HydrophobicContact CB-CE3 4.03Å; Q607-W1332 HydrophobicContact CB-CZ3 4.45Å; Q607-W1332 HydrophobicContact CG-CD2 4.27Å; Q607-W1332 HydrophobicContact CG-CE3 3.95Å; Q607-W1332 WeakPolarHBondContact O-CH2 3.3Å
608E88.4Confident87.5Confident25 Ų2544.6 Ų44.612%0.11723%0.225CC..Hα-helixtrans-61.5-38.5176-80.2176.7154.600112.1R553 K586 S604 L605 E610 K611 I612R553-E608 IonicContact CZ-OE1 2.77Å; R553-E608 IonicContact NE-OE1 2.66Å; R553-E608 IonicContact NH2-OE1 3.46Å; R553-E608 PolarHBondContact NH2-OE1 2.74Å; R553-E608 IonicContact NH2-OE2 2.81Å; K586-E608 WeakPolarHBondContact CE-OE2 3.49Å; K586-E608 VanDerWaalsContact NZ-CD 3.33Å; K586-E608 IonicContact NZ-OE1 3.19Å; K586-E608 PolarHBondContact NZ-OE1 3.46Å; K586-E608 IonicContact NZ-OE2 2.69Å; K586-E608 PolarHBondContact NZ-OE2 2.87Å; S604-E608 PolarHBondContact O-N 3Å; S604-E608 VanDerWaalsContact O-N 3.09Å; L605-E608 PolarHBondContact O-N 3.12Å; E608-E610 VanDerWaalsContact C-N 3.3Å; E608-E610 PolarHBondContact O-N 3.39Å; E608-K611 WeakPolarHBondContact O-CB 3.38Å; E608-K611 PolarHBondContact O-N 2.96Å; E608-I612 WeakPolarHBondContact O-CB 3.48Å; E608-I612 WeakPolarHBondContact O-CD1 3.41Å; E608-I612 WeakPolarHBondContact O-CG1 3.34Å; E608-I612 PolarHBondContact O-N 3.41Å
609S91.6Very high87.8Confident3 Ų343.9 Ų43.92%0.02122%0.221CC..Hα-helixtrans-62.7-36.8177.873.70000112.5L605 K606 Q607 I612 L613L605-S609 WeakPolarHBondContact O-CB 3.44Å; L605-S609 PolarHBondContact O-N 3.46Å; K606-S609 PolarHBondContact O-N 3.36Å; K606-S609 PolarHBondContact O-OG 3.06Å; Q607-S609 VanDerWaalsContact C-N 3.3Å; Q607-S609 PolarHBondContact O-N 3.15Å; S609-I612 PolarHBondContact O-N 3.25Å; S609-L613 WeakPolarHBondContact O-CG 3.47Å; S609-L613 PolarHBondContact O-N 3.43Å
610E87.5Confident88.2Confident33 Ų3340.4 Ų40.415%0.15419%0.192CC..Hα-helixtrans-67.3-44.4176.5-173.760.5-150.800111.6K606 Q607 E608 I612 L613 Q614 R673 W1332K606-E610 PolarHBondContact O-N 3.23Å; K606-E610 VanDerWaalsContact O-N 3.17Å; Q607-E610 PolarHBondContact O-N 3.05Å; E608-E610 VanDerWaalsContact C-N 3.3Å; E608-E610 PolarHBondContact O-N 3.39Å; E610-I612 VanDerWaalsContact C-N 3.29Å; E610-I612 PolarHBondContact O-N 3.17Å; E610-L613 WeakPolarHBondContact O-CB 3.45Å; E610-L613 PolarHBondContact O-N 3.09Å; E610-Q614 PolarHBondContact O-N 2.66Å; E610-Q614 VanDerWaalsContact O-N 3.14Å; E610-R673 VanDerWaalsContact CD-NH1 3.26Å; E610-R673 IonicContact OE1-CZ 3.91Å; E610-R673 VanDerWaalsContact OE1-CZ 3.31Å; E610-R673 IonicContact OE1-NH1 2.8Å; E610-R673 PolarHBondContact OE1-NH1 2.92Å; E610-R673 IonicContact OE1-NH2 3.38Å; E610-R673 PolarHBondContact OE1-NH2 3.13Å; E610-R673 IonicContact OE2-CZ 3.66Å; E610-R673 IonicContact OE2-NH1 2.89Å; E610-R673 PolarHBondContact OE2-NH1 3.34Å; E610-R673 IonicContact OE2-NH2 3.13Å; E610-W1332 HydrophobicContact CB-CH2 3.59Å; E610-W1332 HydrophobicContact CB-CZ3 3.75Å; E610-W1332 HydrophobicContact CG-CH2 3.63Å; E610-W1332 HydrophobicContact CG-CZ3 3.74Å
611K85.6Confident88.4Confident37 Ų3741.9 Ų41.916%0.16120%0.2CC..Hα-helixtrans-57.5-45.1173.9-169.1-177.5176.7-168.80111.9D549 I550 Q607 E608 L613 Q614 S615 W1332D549-K611 IonicContact OD1-NZ 2.72Å; D549-K611 PolarHBondContact OD1-NZ 3.31Å; D549-K611 WeakPolarHBondContact OD2-CE 3.48Å; D549-K611 IonicContact OD2-NZ 3.83Å; D549-K611 PolarHBondContact OD2-NZ 3.15Å; I550-K611 HydrophobicContact CD1-CD 4.26Å; Q607-K611 PolarHBondContact O-N 3.41Å; Q607-K611 VanDerWaalsContact O-N 3.15Å; E608-K611 WeakPolarHBondContact O-CB 3.38Å; E608-K611 PolarHBondContact O-N 2.96Å; K611-L613 VanDerWaalsContact C-N 3.33Å; K611-L613 PolarHBondContact O-N 3.39Å; K611-Q614 PolarHBondContact O-N 3.26Å; K611-S615 PolarHBondContact O-N 2.91Å; K611-W1332 HydrophobicContact CB-CH2 4.27Å; K611-W1332 HydrophobicContact CB-CZ2 3.72Å; K611-W1332 HydrophobicContact CG-CZ2 4.33Å
612I93.5Very high88.8Confident1 Ų134.9 Ų34.91%0.00516%0.163CC..Hα-helixtrans-61.7-41.9180-72.4163.6000110.4M547 I550 V587 L590 L591 E608 S609 E610 A616M547-I612 HydrophobicContact CE-CG2 4.23Å; M547-I612 HydrophobicContact SD-CG1 4.25Å; M547-I612 HydrophobicContact SD-CG2 4.31Å; I550-I612 HydrophobicContact CD1-CD1 4.34Å; I550-I612 HydrophobicContact CD1-CG1 4.04Å; I550-I612 HydrophobicContact CG1-CD1 4.37Å; I550-I612 HydrophobicContact CG1-CG1 4.09Å; I550-I612 HydrophobicContact CG2-CD1 4.4Å; V587-I612 HydrophobicContact CB-CD1 4.5Å; V587-I612 HydrophobicContact CG1-CG2 3.76Å; V587-I612 HydrophobicContact CG2-CD1 4.06Å; V587-I612 HydrophobicContact CG2-CG1 4.43Å; L590-I612 HydrophobicContact CB-CD1 4.28Å; L590-I612 HydrophobicContact CD1-CD1 3.8Å; L591-I612 HydrophobicContact CD1-CG2 3.98Å; L591-I612 HydrophobicContact CD2-CG2 3.57Å; L591-I612 HydrophobicContact CG-CG2 3.46Å; L591-I612 VanDerWaalsContact CG-CG2 3.46Å; E608-I612 WeakPolarHBondContact O-CB 3.48Å; E608-I612 WeakPolarHBondContact O-CD1 3.41Å; E608-I612 WeakPolarHBondContact O-CG1 3.34Å; E608-I612 PolarHBondContact O-N 3.41Å; S609-I612 PolarHBondContact O-N 3.25Å; E610-I612 VanDerWaalsContact C-N 3.29Å; E610-I612 PolarHBondContact O-N 3.17Å; I612-A616 WeakPolarHBondContact O-CB 3.29Å; I612-A616 PolarHBondContact O-N 3.26Å
613L92.2Very high89.2Confident6 Ų632.1 Ų32.13%0.03115%0.148CC..Hα-helixtrans-60.9-45.2175.5-70.7161.7000112.2L591 Q594 S609 E610 K611 A616 L617 I670L591-L613 HydrophobicContact CD2-CD2 3.98Å; Q594-L613 HydrophobicContact CB-CD1 4.43Å; Q594-L613 HydrophobicContact CG-CD1 3.54Å; Q594-L613 HydrophobicContact CG-CD2 4.23Å; Q594-L613 HydrophobicContact CG-CG 4.32Å; S609-L613 WeakPolarHBondContact O-CG 3.47Å; S609-L613 PolarHBondContact O-N 3.43Å; E610-L613 WeakPolarHBondContact O-CB 3.45Å; E610-L613 PolarHBondContact O-N 3.09Å; K611-L613 VanDerWaalsContact C-N 3.33Å; K611-L613 PolarHBondContact O-N 3.39Å; L613-A616 PolarHBondContact O-N 3.07Å; L613-L617 WeakPolarHBondContact O-CB 3.44Å; L613-L617 PolarHBondContact O-N 3.42Å; L613-I670 HydrophobicContact CD2-CG2 4.11Å
614Q88.5Confident89.8Confident102 Ų10229.2 Ų29.248%0.47714%0.139SC..Hα-helixtrans-63.3-45.8-179.7-68.8177.5-3.200111.8E610 K611 L617 R618E610-Q614 PolarHBondContact O-N 2.66Å; E610-Q614 VanDerWaalsContact O-N 3.14Å; K611-Q614 PolarHBondContact O-N 3.26Å; Q614-L617 PolarHBondContact O-N 2.98Å; Q614-R618 PolarHBondContact O-N 3.19Å
615S91.4Very high90.2Very high6 Ų629 Ų294%0.04214%0.14CC..Hα-helixtrans-64.9-41.8174.5-72.90000111.9K611 L617 R618 I619K611-S615 PolarHBondContact O-N 2.91Å; S615-L617 VanDerWaalsContact C-N 3.31Å; S615-L617 PolarHBondContact O-N 3.4Å; S615-R618 PolarHBondContact O-N 3.09Å; S615-R618 PolarHBondContact OG-NH2 3.42Å; S615-I619 VanDerWaalsContact O-CG1 3.28Å; S615-I619 WeakPolarHBondContact O-CG1 3.36Å; S615-I619 PolarHBondContact O-N 3.18Å
616A94.6Very high90.3Very high0 Ų029 Ų290%014%0.141CC..Hα-helixtrans-60.5-39.8176.900000112.3I541 M547 L591 I612 L613 I619 L620 I670I541-A616 HydrophobicContact CD1-CB 4.32Å; I541-A616 HydrophobicContact CG2-CB 3.79Å; M547-A616 HydrophobicContact CE-CB 4.29Å; L591-A616 HydrophobicContact CD2-CB 4.19Å; I612-A616 WeakPolarHBondContact O-CB 3.29Å; I612-A616 PolarHBondContact O-N 3.26Å; L613-A616 PolarHBondContact O-N 3.07Å; A616-I619 PolarHBondContact O-N 3.29Å; A616-L620 WeakPolarHBondContact O-CB 3.17Å; A616-L620 VanDerWaalsContact O-CG 3.29Å; A616-L620 WeakPolarHBondContact O-CG 3.33Å; A616-L620 PolarHBondContact O-N 3.06Å; A616-I670 HydrophobicContact CB-CD1 3.66Å
617L91.2Very high90.4Very high53 Ų5322.8 Ų22.828%0.27711%0.113SC..Hα-helixtrans-64.3-43.7176.4-17560.8000112L613 Q614 S615 L620 N621 R667 I670L613-L617 WeakPolarHBondContact O-CB 3.44Å; L613-L617 PolarHBondContact O-N 3.42Å; Q614-L617 PolarHBondContact O-N 2.98Å; S615-L617 VanDerWaalsContact C-N 3.31Å; S615-L617 PolarHBondContact O-N 3.4Å; L617-L620 PolarHBondContact O-N 3.38Å; L617-N621 WeakPolarHBondContact O-CB 3.4Å; L617-N621 PolarHBondContact O-N 3.42Å; L617-N621 PolarHBondContact O-ND2 3.37Å; L617-R667 HydrophobicContact CD1-CG 4.06Å; L617-I670 HydrophobicContact CB-CG2 4.13Å; L617-I670 HydrophobicContact CD1-CG2 4.44Å
618R89.5Confident90.7Very high91 Ų9123.5 Ų23.534%0.34312%0.115SC..Hα-helixtrans-60.9-45.9175.7-70.3-173.9-65.7159.40.4112.2L517 Q614 S615 L620 N621 G622L517-R618 HydrophobicContact CD2-CB 4.42Å; Q614-R618 PolarHBondContact O-N 3.19Å; S615-R618 PolarHBondContact O-N 3.09Å; S615-R618 PolarHBondContact OG-NH2 3.42Å; R618-L620 VanDerWaalsContact C-N 3.35Å; R618-L620 PolarHBondContact O-N 2.84Å; R618-N621 PolarHBondContact O-N 2.61Å; R618-G622 PolarHBondContact O-N 2.82Å
619I94.1Very high90.5Very high1 Ų123.8 Ų23.81%0.00512%0.117CC..Hα-helixtrans-58.5-47.8175.8-67.4164.9000110L517 T521 M525 F540 I541 C544 E546 M547 S615 A616 N621 G622 L623L517-I619 HydrophobicContact CD2-CG1 4.18Å; T521-I619 HydrophobicContact CG2-CG1 4.34Å; M525-I619 HydrophobicContact CE-CB 4.12Å; M525-I619 HydrophobicContact CE-CG2 3.41Å; M525-I619 VanDerWaalsContact CE-CG2 3.41Å; M525-I619 WeakPolarHBondContact CE-O 3.37Å; F540-I619 HydrophobicContact CE1-CG2 4.08Å; I541-I619 HydrophobicContact CG1-CG2 4.14Å; I541-I619 HydrophobicContact CG2-CD1 4.29Å; C544-I619 HydrophobicContact CB-CD1 3.61Å; C544-I619 HydrophobicContact CB-CG1 4.47Å; E546-I619 HydrophobicContact CB-CD1 4.26Å; M547-I619 HydrophobicContact CE-CD1 4.14Å; S615-I619 VanDerWaalsContact O-CG1 3.28Å; S615-I619 WeakPolarHBondContact O-CG1 3.36Å; S615-I619 PolarHBondContact O-N 3.18Å; A616-I619 PolarHBondContact O-N 3.29Å; I619-N621 PolarHBondContact O-N 2.67Å; I619-G622 PolarHBondContact O-N 2.91Å; I619-L623 WeakPolarHBondContact O-CB 3.44Å; I619-L623 PolarHBondContact O-N 3.47Å
620L93.8Very high89.9Confident2 Ų225.6 Ų25.61%0.0112%0.124CC..Hα-helixtrans-67.8-33.7179.9-73.5166.6000113.2I541 A616 L617 R618 T624 L666 R667 I670I541-L620 HydrophobicContact CD1-CD1 4Å; I541-L620 HydrophobicContact CD1-CD2 4.13Å; I541-L620 HydrophobicContact CD1-CG 3.96Å; A616-L620 WeakPolarHBondContact O-CB 3.17Å; A616-L620 VanDerWaalsContact O-CG 3.29Å; A616-L620 WeakPolarHBondContact O-CG 3.33Å; A616-L620 PolarHBondContact O-N 3.06Å; L617-L620 PolarHBondContact O-N 3.38Å; R618-L620 VanDerWaalsContact C-N 3.35Å; R618-L620 PolarHBondContact O-N 2.84Å; L620-T624 VanDerWaalsContact O-CB 3.28Å; L620-T624 WeakPolarHBondContact O-CB 3.5Å; L620-T624 PolarHBondContact O-N 3.23Å; L620-T624 PolarHBondContact O-OG1 3.41Å; L620-L666 HydrophobicContact CD1-CB 4.35Å; L620-L666 HydrophobicContact CD1-CD2 4.19Å; L620-L666 HydrophobicContact CD1-CG 3.8Å; L620-L666 HydrophobicContact CD2-CB 4.49Å; L620-L666 HydrophobicContact CD2-CD2 4.18Å; L620-L666 HydrophobicContact CD2-CG 4.39Å; L620-R667 HydrophobicContact CB-CB 4.23Å; L620-R667 HydrophobicContact CB-CG 4.32Å; L620-R667 HydrophobicContact CD1-CB 4.39Å; L620-I670 HydrophobicContact CD1-CD1 3.56Å; L620-I670 HydrophobicContact CD1-CG1 4.47Å
621N90.6Very high89.1Confident51 Ų5128.5 Ų28.527%0.27314%0.141SC..Hα-helixtrans-65.1-43.5173.1-72.8-16.2000111.1N515 L617 R618 I619 T624 G625 R667N515-N621 WeakPolarHBondContact OD1-CB 3.5Å; L617-N621 WeakPolarHBondContact O-CB 3.4Å; L617-N621 PolarHBondContact O-N 3.42Å; L617-N621 PolarHBondContact O-ND2 3.37Å; R618-N621 PolarHBondContact O-N 2.61Å; I619-N621 PolarHBondContact O-N 2.67Å; N621-T624 PolarHBondContact O-N 3.27Å; N621-G625 PolarHBondContact O-N 3.26Å; N621-R667 WeakPolarHBondContact OD1-CD 3.17Å
622G90.4Very high88.2Confident1 Ų127.7 Ų27.71%0.0114%0.139CC..Hα-helixtrans-66.8-39.4175.100000113.2R618 I619 G625 L626R618-G622 PolarHBondContact O-N 2.82Å; I619-G622 PolarHBondContact O-N 2.91Å; G622-G625 PolarHBondContact O-N 2.85Å; G622-L626 WeakPolarHBondContact O-CB 3.41Å; G622-L626 PolarHBondContact O-N 3.29Å
623L93.3Very high86.8Confident4 Ų430.2 Ų30.22%0.02116%0.156CC..Hα-helixtrans-61.2-48172.2178.560.2000110.6M525 L528 L537 I619 G625 L626 L627 A663M525-L623 HydrophobicContact CB-CD1 4.46Å; M525-L623 HydrophobicContact CE-CB 4.22Å; M525-L623 HydrophobicContact CG-CD1 4.47Å; M525-L623 HydrophobicContact SD-CB 4.17Å; L528-L623 HydrophobicContact CD1-CD1 3.94Å; L528-L623 HydrophobicContact CD1-CD2 4.33Å; L537-L623 HydrophobicContact CD2-CD2 4.06Å; I619-L623 WeakPolarHBondContact O-CB 3.44Å; I619-L623 PolarHBondContact O-N 3.47Å; L623-G625 VanDerWaalsContact C-N 3.3Å; L623-G625 PolarHBondContact O-N 3.29Å; L623-L626 WeakPolarHBondContact O-CB 3.35Å; L623-L626 PolarHBondContact O-N 3.31Å; L623-L627 HydrophobicContact CD1-CD1 4.16Å; L623-L627 HydrophobicContact CD1-CG 4.18Å; L623-L627 HydrophobicContact CG-CD1 4.02Å; L623-L627 HydrophobicContact CG-CG 4.44Å; L623-L627 WeakPolarHBondContact O-CG 3.29Å; L623-L627 PolarHBondContact O-N 3.47Å; L623-A663 HydrophobicContact CD2-CB 3.99Å; L623-A663 HydrophobicContact CG-CB 4.36Å
624T91.1Very high85.2Confident18 Ų1832.9 Ų32.911%0.1117%0.17CC..Hα-helixtrans-60.5-41.2178.3-55.50000111.1L620 N621 L627 W628 L664L620-T624 VanDerWaalsContact O-CB 3.28Å; L620-T624 WeakPolarHBondContact O-CB 3.5Å; L620-T624 PolarHBondContact O-N 3.23Å; L620-T624 PolarHBondContact O-OG1 3.41Å; N621-T624 PolarHBondContact O-N 3.27Å; T624-L627 PolarHBondContact O-N 2.89Å; T624-W628 WeakPolarHBondContact O-CB 3.3Å; T624-W628 PolarHBondContact O-N 3.34Å; T624-L664 HydrophobicContact CG2-CD2 3.81Å
625G89.4Confident83.6Confident20 Ų2032.5 Ų32.521%0.20618%0.175CC..Hα-helixtrans-60.8-48.517400000112.4I511 N621 G622 L623 L627 W628 L629I511-G625 WeakPolarHBondContact CD1-O 3.45Å; N621-G625 PolarHBondContact O-N 3.26Å; G622-G625 PolarHBondContact O-N 2.85Å; L623-G625 VanDerWaalsContact C-N 3.3Å; L623-G625 PolarHBondContact O-N 3.29Å; G625-L627 VanDerWaalsContact C-N 3.28Å; G625-L627 PolarHBondContact O-N 2.99Å; G625-W628 WeakPolarHBondContact O-CA 3.42Å; G625-W628 WeakPolarHBondContact O-CB 2.99Å; G625-W628 PolarHBondContact O-N 2.92Å; G625-L629 PolarHBondContact O-N 3.25Å
626L89.8Confident82Confident1 Ų135.6 Ų35.61%0.00519%0.189CC..Hα-helixtrans-56.8-43.9177175.868.3000111.5L508 F522 M525 G622 L623 W628 L629 Y630 P651 V653L508-L626 HydrophobicContact CD2-CD1 3.44Å; L508-L626 VanDerWaalsContact CD2-CD1 3.44Å; F522-L626 HydrophobicContact CE2-CD1 4.01Å; F522-L626 HydrophobicContact CZ-CD1 4.37Å; M525-L626 HydrophobicContact CB-CD2 4.05Å; G622-L626 WeakPolarHBondContact O-CB 3.41Å; G622-L626 PolarHBondContact O-N 3.29Å; L623-L626 WeakPolarHBondContact O-CB 3.35Å; L623-L626 PolarHBondContact O-N 3.31Å; L626-W628 PolarHBondContact O-N 3.01Å; L626-L629 PolarHBondContact O-N 2.97Å; L626-Y630 HydrophobicContact CD1-CE2 3.85Å; L626-Y630 WeakPolarHBondContact O-CD2 3.46Å; L626-P651 HydrophobicContact CD1-CG 4.4Å; L626-V653 HydrophobicContact CD2-CG1 4.12Å
627L89.7Confident80.2Confident1 Ų136.6 Ų36.61%0.00519%0.193CC..Hα-helixtrans-67.2-23.5176.8-62.6174.8000112.1L623 T624 G625 V653 A654 I660 A663 K785L623-L627 HydrophobicContact CD1-CD1 4.16Å; L623-L627 HydrophobicContact CD1-CG 4.18Å; L623-L627 HydrophobicContact CG-CD1 4.02Å; L623-L627 HydrophobicContact CG-CG 4.44Å; L623-L627 WeakPolarHBondContact O-CG 3.29Å; L623-L627 PolarHBondContact O-N 3.47Å; T624-L627 PolarHBondContact O-N 2.89Å; G625-L627 VanDerWaalsContact C-N 3.28Å; G625-L627 PolarHBondContact O-N 2.99Å; L627-V653 HydrophobicContact CD2-CB 4.33Å; L627-V653 HydrophobicContact CD2-CG1 4.02Å; L627-V653 HydrophobicContact CD2-CG2 3.89Å; L627-V653 VanDerWaalsContact CD2-O 3.28Å; L627-V653 WeakPolarHBondContact CD2-O 3.31Å; L627-A654 HydrophobicContact CD2-CB 4.25Å; L627-I660 HydrophobicContact CB-CD1 4.36Å; L627-I660 HydrophobicContact CD1-CB 4.05Å; L627-I660 HydrophobicContact CD1-CG1 4.5Å; L627-A663 HydrophobicContact CD1-CB 4.06Å; L627-K785 PolarHBondContact O-NZ 3.4Å
628W87.9Confident78.2Confident37 Ų3736.7 Ų36.714%0.1420%0.198CC..Hα-helixtrans-82.6-32.1178.2-155.1-91.5000113.5T624 G625 L626 Y630 I660 V772 K785 L787 S1098 C1099T624-W628 WeakPolarHBondContact O-CB 3.3Å; T624-W628 PolarHBondContact O-N 3.34Å; G625-W628 WeakPolarHBondContact O-CA 3.42Å; G625-W628 WeakPolarHBondContact O-CB 2.99Å; G625-W628 PolarHBondContact O-N 2.92Å; L626-W628 PolarHBondContact O-N 3.01Å; W628-Y630 VanDerWaalsContact C-N 3.34Å; W628-Y630 PolarHBondContact O-N 3.26Å; W628-I660 HydrophobicContact CE3-CD1 4.3Å; W628-I660 HydrophobicContact CZ3-CD1 4.43Å; W628-V772 HydrophobicContact CH2-CG1 3.88Å; W628-V772 HydrophobicContact CH2-CG2 4.28Å; W628-V772 HydrophobicContact CZ3-CG1 3.64Å; W628-V772 HydrophobicContact CZ3-CG2 4.13Å; W628-K785 HydrophobicContact CE3-CD 4.31Å; W628-K785 HydrophobicContact CZ3-CD 4.41Å; W628-K785 VanDerWaalsContact O-CE 3.3Å; W628-K785 WeakPolarHBondContact O-CE 3.48Å; W628-K785 PolarHBondContact O-NZ 2.92Å; W628-L787 HydrophobicContact CH2-CB 4.14Å; W628-L787 HydrophobicContact CH2-CD1 4.07Å; W628-L787 HydrophobicContact CZ2-CB 3.79Å; W628-L787 HydrophobicContact CZ2-CD1 4.28Å; W628-S1098 PolarHBondContact NE1-O 3.07Å; W628-C1099 VanDerWaalsContact CD1-SG 3.59Å
629L84.6Confident76.2Confident32 Ų3240.9 Ų40.917%0.16822%0.219CC..Hα-helixtrans-60.2-36.3-176-72.5-179000115.4D507 L508 I511 G625 L626D507-L629 HydrophobicContact CB-CD1 3.94Å; D507-L629 HydrophobicContact CB-CD2 3.55Å; D507-L629 HydrophobicContact CB-CG 4.39Å; L508-L629 HydrophobicContact CD2-CD1 3.38Å; L508-L629 HydrophobicContact CG-CD1 4Å; I511-L629 HydrophobicContact CD1-CD1 3.31Å; I511-L629 HydrophobicContact CD1-CD2 3.86Å; I511-L629 HydrophobicContact CD1-CG 3.44Å; I511-L629 VanDerWaalsContact CD1-CG 3.44Å; I511-L629 HydrophobicContact CG1-CD1 4.41Å; G625-L629 PolarHBondContact O-N 3.25Å; L626-L629 PolarHBondContact O-N 2.97Å
630Y79.4Confident73.7Confident41 Ų4145 Ų4516%0.16125%0.248CC..PPolyproline II helixtrans-99118.8-171.6-58.8-80.4000111.6L508 L626 W628 I650 P651 A654 K785L508-Y630 WeakPolarHBondContact CD1-OH 3.4Å; L508-Y630 HydrophobicContact CD2-CE2 4.21Å; L508-Y630 WeakPolarHBondContact CD2-OH 3.21Å; L626-Y630 HydrophobicContact CD1-CE2 3.85Å; L626-Y630 WeakPolarHBondContact O-CD2 3.46Å; W628-Y630 VanDerWaalsContact C-N 3.34Å; W628-Y630 PolarHBondContact O-N 3.26Å; Y630-I650 HydrophobicContact CD1-CB 4.21Å; Y630-I650 HydrophobicContact CD1-CG1 3.81Å; Y630-I650 HydrophobicContact CD1-CG2 3.99Å; Y630-I650 HydrophobicContact CD2-CG2 4.36Å; Y630-I650 HydrophobicContact CE1-CG1 4.37Å; Y630-I650 HydrophobicContact CG-CG1 4.43Å; Y630-I650 HydrophobicContact CG-CG2 3.8Å; Y630-P651 HydrophobicContact CE2-CG 3.84Å; Y630-A654 HydrophobicContact CD2-CB 3.81Å; Y630-A654 HydrophobicContact CG-CB 4.37Å; Y630-K785 PolarHBondContact O-NZ 2.89Å
631D71.5Confident71.3Confident94 Ų9450.2 Ų50.250%0.50327%0.272SS..PPolyproline II helixtrans-79.4132.6163.5-81.6-22.5000109.9P633D631-P633 VanDerWaalsContact O-CD 3.31Å; D631-P633 WeakPolarHBondContact O-CD 3.4Å
632C65.6Low68.7Low20 Ų2056.9 Ų56.914%0.13530%0.299CS..PPolyproline II helixtrans-81.4118.2179.1-158.60000109.5L634 Y637 L782C632-L634 PolarHBondContact O-N 3.45Å; C632-Y637 PolarHBondContact SG-OH 3.17Å; C632-L782 VanDerWaalsContact CB-O 3.31Å; C632-L782 WeakPolarHBondContact CB-O 3.4Å
633P63.4Low66.3Low54 Ų5465.3 Ų65.335%0.35134%0.338SS..PPolyproline II helixtrans-66124.1178.7-16.529.9000110.2D631 T635 M636D631-P633 VanDerWaalsContact O-CD 3.31Å; D631-P633 WeakPolarHBondContact O-CD 3.4Å; P633-T635 PolarHBondContact O-N 3.46Å; P633-M636 HydrophobicContact CB-CG 4.31Å; P633-M636 HydrophobicContact CG-CG 4.48Å; P633-M636 WeakPolarHBondContact O-CB 3.15Å; P633-M636 PolarHBondContact O-N 2.94Å; P633-M636 VanDerWaalsContact O-N 3.1Å
634L59.4Low63.4Low62 Ų6271.8 Ų71.833%0.32537%0.373SS..G310 helixtrans-56-25.1176.9-77.4154.1000113C632 M636 Y637 V783 E804C632-L634 PolarHBondContact O-N 3.45Å; L634-M636 PolarHBondContact O-N 3.12Å; L634-Y637 WeakPolarHBondContact O-CD2 3.45Å; L634-Y637 PolarHBondContact O-N 3.43Å; L634-V783 HydrophobicContact CD2-CG1 3.79Å; L634-E804 WeakPolarHBondContact CD1-O 3.31Å
635T54.9Low60.9Low94 Ų9475.2 Ų75.258%0.57740%0.397SS*.G310 helixtrans-63.9-20.1179.252.40000113.6P633 Y637P633-T635 PolarHBondContact O-N 3.46Å; T635-Y637 VanDerWaalsContact C-N 3.26Å; T635-Y637 PolarHBondContact O-N 3Å
636M57.1Low58.9Low70 Ų7081.2 Ų81.235%0.34542%0.424SS..G310 helixtrans-69.1-19.7-178.6-72.3-150.574.900114.8P633 L634 C647 M655P633-M636 HydrophobicContact CB-CG 4.31Å; P633-M636 HydrophobicContact CG-CG 4.48Å; P633-M636 WeakPolarHBondContact O-CB 3.15Å; P633-M636 PolarHBondContact O-N 2.94Å; P633-M636 VanDerWaalsContact O-N 3.1Å; L634-M636 PolarHBondContact O-N 3.12Å; M636-C647 HydrophobicContact CE-CB 3.92Å; M636-C647 WeakPolarHBondContact CE-SG 3.42Å; M636-C647 HydrophobicContact SD-CB 4.3Å; M636-C647 PolarHBondContact SD-SG 3.33Å; M636-M655 HydrophobicContact CE-CE 3.73Å; M636-M655 HydrophobicContact SD-CE 3.41Å; M636-M655 WeakPolarHBondContact SD-CE 3.28Å
637Y56.3Low56.9Low21 Ų2183 Ų838%0.08244%0.437CS..G310 helixtrans-89-9.3-173.1-56-61.7000113.9C632 L634 T635 Y781 L782 L811C632-Y637 PolarHBondContact SG-OH 3.17Å; L634-Y637 WeakPolarHBondContact O-CD2 3.45Å; L634-Y637 PolarHBondContact O-N 3.43Å; T635-Y637 VanDerWaalsContact C-N 3.26Å; T635-Y637 PolarHBondContact O-N 3Å; Y637-Y781 HydrophobicContact CD1-CD2 4.37Å; Y637-Y781 HydrophobicContact CD1-CG 4.43Å; Y637-Y781 HydrophobicContact CE1-CD1 4.24Å; Y637-Y781 HydrophobicContact CE1-CD2 4.02Å; Y637-Y781 AromaticContact CE1-CG 3.64Å; Y637-Y781 HydrophobicContact CE1-CG 3.64Å; Y637-L782 PolarHBondContact OH-O 3.39Å; Y637-L811 HydrophobicContact CD1-CD2 4.26Å; Y637-L811 HydrophobicContact CD2-CD2 4.3Å; Y637-L811 HydrophobicContact CG-CD2 3.93Å
638S49.3Very low55.2Low56 Ų5688.3 Ų88.339%0.39247%0.474SS..SBendtrans-72.2130.8177.2-174.60000111S640 H641S638-S640 PolarHBondContact O-N 2.94Å; S638-S640 PolarHBondContact OG-OG 2.74Å; S638-H641 PolarHBondContact O-N 2.99Å
639K47.6Very low54.3Low178 Ų17889.8 Ų89.877%0.77449%0.487SS*.THydrogen-bonded Turntrans-55.6-2.7177.8-71177-178.9168.50115
640S42.9Very low53.9Low89 Ų8989.7 Ų89.762%0.62249%0.487SS*.THydrogen-bonded Turntrans-98.7-14.6-175.2550000115.3S638 K642S638-S640 PolarHBondContact O-N 2.94Å; S638-S640 PolarHBondContact OG-OG 2.74Å; S640-K642 PolarHBondContact O-N 3.18Å
641H42.5Very low54Low111 Ų11188.8 Ų88.851%0.51449%0.485SS..  trans-88.674179.2-90.2-75000112.7S638S638-H641 PolarHBondContact O-N 2.99Å
642K37Very low54.6Low191 Ų19186.9 Ų86.983%0.8348%0.483SS*.SBendtrans-90.3112.5149.2-79.2180178.3177.50107S640S640-K642 PolarHBondContact O-N 3.18Å
643Q38.6Very low55.6Low178 Ų17885.9 Ų85.983%0.83248%0.476SS*.SBendtrans107.4-16.2148.2-63.8179.4-11.100123
644N32.8Very low56.7Low140 Ų14083.5 Ų83.575%0.74946%0.461SS*.  trans-142107.9-177.2-74.6-30.9000113.9
645S38.5Very low57.9Low89 Ų8981.9 Ų81.962%0.62245%0.452SS*.SBendtrans150.1112.7149.962.60000112.5C647S645-C647 VanDerWaalsContact C-N 3.28Å; S645-C647 PolarHBondContact O-N 3.46Å
646D47.1Very low59.5Low146 Ų14678.8 Ų78.878%0.78143%0.431SS*.SBendtrans423.9159-59.9-15.9000123.2S648 T649D646-S648 VanDerWaalsContact C-N 3.32Å; D646-S648 PolarHBondContact O-N 3.29Å; D646-T649 PolarHBondContact O-OG1 2.77Å
647C47.8Very low61.1Low40 Ų4076.3 Ų76.327%0.2742%0.418SS..G310 helixtrans-78.4-6.3-176.3-1650000115.3M636 S645 T649M636-C647 HydrophobicContact CE-CB 3.92Å; M636-C647 WeakPolarHBondContact CE-SG 3.42Å; M636-C647 HydrophobicContact SD-CB 4.3Å; M636-C647 PolarHBondContact SD-SG 3.33Å; S645-C647 VanDerWaalsContact C-N 3.28Å; S645-C647 PolarHBondContact O-N 3.46Å; C647-T649 PolarHBondContact O-N 2.63Å
648S54.8Low62.7Low111 Ų11176.4 Ų76.478%0.77642%0.42SS*.G310 helixtrans-66.6-5.4176.851.80000113.6K492 D646K492-S648 PolarHBondContact NZ-O 2.76Å; D646-S648 VanDerWaalsContact C-N 3.32Å; D646-S648 PolarHBondContact O-N 3.29Å
649T68.5Low64.6Low69 Ų6973.9 Ų73.942%0.42340%0.403SS..G310 helixtrans-87-32.4-176.652.30000113.7K492 D646 C647K492-T649 PolarHBondContact NZ-O 3.44Å; D646-T649 PolarHBondContact O-OG1 2.77Å; C647-T649 PolarHBondContact O-N 2.63Å
650I75.8Confident66.6Low30 Ų3065.5 Ų65.515%0.15437%0.366CS..SBendtrans-85126-173.1-53.6177.9000111.2Y630 A654 M655Y630-I650 HydrophobicContact CD1-CB 4.21Å; Y630-I650 HydrophobicContact CD1-CG1 3.81Å; Y630-I650 HydrophobicContact CD1-CG2 3.99Å; Y630-I650 HydrophobicContact CD2-CG2 4.36Å; Y630-I650 HydrophobicContact CE1-CG1 4.37Å; Y630-I650 HydrophobicContact CG-CG1 4.43Å; Y630-I650 HydrophobicContact CG-CG2 3.8Å; I650-A654 HydrophobicContact CG2-CB 4.27Å; I650-M655 HydrophobicContact CG2-CG 3.85Å
651P82.7Confident68.9Low21 Ų2163 Ų6314%0.13635%0.346CS..  trans-61.7138173.3-23.234.5000112.4L626 Y630 V653 A654L626-P651 HydrophobicContact CD1-CG 4.4Å; Y630-P651 HydrophobicContact CE2-CG 3.84Å; P651-V653 HydrophobicContact CB-CG1 4.05Å; P651-V653 PolarHBondContact O-N 3.14Å; P651-V653 VanDerWaalsContact O-N 3.12Å; P651-A654 PolarHBondContact O-N 3.4Å
652A83Confident71.3Confident54 Ų5458.5 Ų58.545%0.44633%0.327SS..G310 helixtrans-54.3-36.1-179.200000113A654 M655A652-A654 VanDerWaalsContact C-N 3.26Å; A652-A654 PolarHBondContact O-N 3.26Å; A652-M655 PolarHBondContact O-N 2.83Å; A652-M655 VanDerWaalsContact O-N 3.15Å
653V87.1Confident73.9Confident0 Ų049.4 Ų49.40%029%0.287CS..G310 helixtrans-58-34.5177.971.80000113.5L528 L626 L627 P651 M655 S659L528-V653 HydrophobicContact CB-CB 3.76Å; L528-V653 HydrophobicContact CB-CG2 3.43Å; L528-V653 VanDerWaalsContact CB-CG2 3.43Å; L528-V653 HydrophobicContact CD1-CG2 4.07Å; L528-V653 HydrophobicContact CG-CG2 4.4Å; L528-V653 PolarHBondContact O-N 3.3Å; L626-V653 HydrophobicContact CD2-CG1 4.12Å; L627-V653 HydrophobicContact CD2-CB 4.33Å; L627-V653 HydrophobicContact CD2-CG1 4.02Å; L627-V653 HydrophobicContact CD2-CG2 3.89Å; L627-V653 VanDerWaalsContact CD2-O 3.28Å; L627-V653 WeakPolarHBondContact CD2-O 3.31Å; P651-V653 HydrophobicContact CB-CG1 4.05Å; P651-V653 PolarHBondContact O-N 3.14Å; P651-V653 VanDerWaalsContact O-N 3.12Å; V653-M655 VanDerWaalsContact C-N 3.32Å; V653-S659 PolarHBondContact O-OG 2.82Å
654A86.1Confident76.3Confident3 Ų341.1 Ų41.13%0.02525%0.249CC..G310 helixtrans-79.5-14.4-17800000113.3L627 Y630 I650 P651 A652L627-A654 HydrophobicContact CD2-CB 4.25Å; Y630-A654 HydrophobicContact CD2-CB 3.81Å; Y630-A654 HydrophobicContact CG-CB 4.37Å; I650-A654 HydrophobicContact CG2-CB 4.27Å; P651-A654 PolarHBondContact O-N 3.4Å; A652-A654 VanDerWaalsContact C-N 3.26Å; A652-A654 PolarHBondContact O-N 3.26Å
655M86Confident79.1Confident29 Ų2936.8 Ų36.814%0.14322%0.224CC..G310 helixtrans-88.3-8.5-178.8-60.2-178.166.800113.6M636 I650 A652 V653 Y781 L782M636-M655 HydrophobicContact CE-CE 3.73Å; M636-M655 HydrophobicContact SD-CE 3.41Å; M636-M655 WeakPolarHBondContact SD-CE 3.28Å; I650-M655 HydrophobicContact CG2-CG 3.85Å; A652-M655 PolarHBondContact O-N 2.83Å; A652-M655 VanDerWaalsContact O-N 3.15Å; V653-M655 VanDerWaalsContact C-N 3.32Å; M655-Y781 WeakPolarHBondContact O-CA 3.01Å; M655-L782 PolarHBondContact O-N 3.42Å
656K88.7Confident81.6Confident29 Ų2932.6 Ų32.613%0.12619%0.194CC..BIsolated β-bridgetrans-109.7139.6-170.5-65.3-74.2-172.1157.30110.5G530 E531 S659 K780 Y781G530-K656 WeakPolarHBondContact O-CB 3.49Å; E531-K656 HydrophobicContact CG-CD 4.3Å; E531-K656 IonicContact OE1-NZ 3.51Å; E531-K656 PolarHBondContact OE1-NZ 3.26Å; K656-S659 PolarHBondContact O-OG 3.06Å; K656-K780 WeakPolarHBondContact CA-O 3.46Å; K656-Y781 HydrophobicContact CD-CD1 4Å; K656-Y781 HydrophobicContact CD-CE1 4.14Å
657Y90.1Very high83.7Confident18 Ų1827.7 Ų27.77%0.07117%0.165CC..Hα-helixtrans-72.6-39.9-179.5169.7-89.3000113.8S659 I660 L661 L774 G776 K780 L782 N815 S817Y657-S659 PolarHBondContact O-N 3Å; Y657-I660 WeakPolarHBondContact O-CG2 3.37Å; Y657-L661 HydrophobicContact CE1-CD2 3.96Å; Y657-L661 PolarHBondContact O-N 2.69Å; Y657-L774 HydrophobicContact CD2-CB 4.25Å; Y657-L774 HydrophobicContact CE2-CB 3.81Å; Y657-G776 VanDerWaalsContact CD2-CA 3.46Å; Y657-K780 WeakPolarHBondContact CB-O 3.31Å; Y657-K780 PolarHBondContact N-O 2.7Å; Y657-L782 HydrophobicContact CD2-CD1 4.15Å; Y657-N815 HydrophobicContact CE1-CB 3.95Å; Y657-N815 HydrophobicContact CE2-CB 4.39Å; Y657-S817 PolarHBondContact OH-OG 2.8Å
658P90.2Very high85.6Confident22 Ų2226 Ų2614%0.14315%0.153CC..Hα-helixtrans-64.9-35-178.4-23.434.1000114L661 S662 K780P658-L661 PolarHBondContact O-N 2.75Å; P658-S662 WeakPolarHBondContact O-CB 3.34Å; P658-S662 PolarHBondContact O-N 3.17Å; P658-S662 PolarHBondContact O-OG 2.73Å; P658-K780 WeakPolarHBondContact CD-O 3.46Å; P658-K780 HydrophobicContact CG-CB 3.86Å; P658-K780 HydrophobicContact CG-CD 4Å; P658-K780 HydrophobicContact CG-CG 4.13Å
659S88.8Confident87.3Confident3 Ų320.7 Ų20.72%0.02112%0.116CC..Hα-helixtrans-60.5-49.5-178.852.40000112.2G530 V653 K656 Y657 L661 S662 A663G530-S659 WeakPolarHBondContact O-CB 3.17Å; G530-S659 PolarHBondContact O-N 2.78Å; G530-S659 VanDerWaalsContact O-N 3.16Å; V653-S659 PolarHBondContact O-OG 2.82Å; K656-S659 PolarHBondContact O-OG 3.06Å; Y657-S659 PolarHBondContact O-N 3Å; S659-L661 VanDerWaalsContact C-N 3.35Å; S659-L661 PolarHBondContact O-N 3.38Å; S659-S662 PolarHBondContact O-N 3.5Å; S659-A663 WeakPolarHBondContact O-CB 3.42Å; S659-A663 PolarHBondContact O-N 3.3Å
660I89.9Confident88.3Confident2 Ų217.7 Ų17.71%0.0110%0.098CC..Hα-helixtrans-65.3-39178.3-173162.6000111.7L627 W628 Y657 L664 L774 L782L627-I660 HydrophobicContact CB-CD1 4.36Å; L627-I660 HydrophobicContact CD1-CB 4.05Å; L627-I660 HydrophobicContact CD1-CG1 4.5Å; W628-I660 HydrophobicContact CE3-CD1 4.3Å; W628-I660 HydrophobicContact CZ3-CD1 4.43Å; Y657-I660 WeakPolarHBondContact O-CG2 3.37Å; I660-L664 HydrophobicContact CG1-CD1 4.05Å; I660-L664 HydrophobicContact CG1-CG 4.41Å; I660-L664 WeakPolarHBondContact O-CB 3.38Å; I660-L664 WeakPolarHBondContact O-CG 3.44Å; I660-L664 PolarHBondContact O-N 3.42Å; I660-L774 HydrophobicContact CD1-CD2 3.78Å; I660-L774 HydrophobicContact CG1-CD1 4.18Å; I660-L774 HydrophobicContact CG1-CD2 4.28Å; I660-L774 HydrophobicContact CG2-CD1 3.83Å; I660-L774 HydrophobicContact CG2-CD2 4.31Å; I660-L782 HydrophobicContact CG2-CD1 4.35Å; I660-L782 HydrophobicContact CG2-CD2 4.49Å
661L91.3Very high88.7Confident38 Ų3821.1 Ų21.120%0.19911%0.113CC..Hα-helixtrans-63.1-51.9176.2178.162.4000111.6Y657 P658 S659 A663 L664 E665 I819Y657-L661 HydrophobicContact CE1-CD2 3.96Å; Y657-L661 PolarHBondContact O-N 2.69Å; P658-L661 PolarHBondContact O-N 2.75Å; S659-L661 VanDerWaalsContact C-N 3.35Å; S659-L661 PolarHBondContact O-N 3.38Å; L661-A663 PolarHBondContact O-N 3.1Å; L661-L664 PolarHBondContact O-N 3.41Å; L661-E665 PolarHBondContact O-N 3.24Å; L661-I819 HydrophobicContact CD1-CD1 3.53Å
662S92.2Very high88.7Confident15 Ų1521.4 Ų21.411%0.10511%0.112CC..Hα-helixtrans-64.6-38.7-179.8-61.10000111.9E532 P658 S659 E665 L666E532-S662 WeakPolarHBondContact O-CB 3.48Å; E532-S662 PolarHBondContact O-OG 2.92Å; P658-S662 WeakPolarHBondContact O-CB 3.34Å; P658-S662 PolarHBondContact O-N 3.17Å; P658-S662 PolarHBondContact O-OG 2.73Å; S659-S662 PolarHBondContact O-N 3.5Å; S662-E665 PolarHBondContact O-N 2.82Å; S662-L666 WeakPolarHBondContact O-CB 3.34Å; S662-L666 PolarHBondContact O-N 3.06Å
663A91.4Very high89Confident0 Ų023.9 Ų23.90%011%0.109CC..Hα-helixtrans-63.3-44.717600000111.2L537 L623 L627 S659 L661 R667L537-A663 HydrophobicContact CD1-CB 4.38Å; L623-A663 HydrophobicContact CD2-CB 3.99Å; L623-A663 HydrophobicContact CG-CB 4.36Å; L627-A663 HydrophobicContact CD1-CB 4.06Å; S659-A663 WeakPolarHBondContact O-CB 3.42Å; S659-A663 PolarHBondContact O-N 3.3Å; L661-A663 PolarHBondContact O-N 3.1Å; A663-R667 WeakPolarHBondContact O-CB 3.28Å; A663-R667 PolarHBondContact O-N 3.23Å
664L90.4Very high89.1Confident5 Ų524.4 Ų24.43%0.02611%0.112CC..Hα-helixtrans-66.1-42.7176.4-70.6173.7000112.2T624 I660 L661 R667 K668 V772 L774 I819T624-L664 HydrophobicContact CG2-CD2 3.81Å; I660-L664 HydrophobicContact CG1-CD1 4.05Å; I660-L664 HydrophobicContact CG1-CG 4.41Å; I660-L664 WeakPolarHBondContact O-CB 3.38Å; I660-L664 WeakPolarHBondContact O-CG 3.44Å; I660-L664 PolarHBondContact O-N 3.42Å; L661-L664 PolarHBondContact O-N 3.41Å; L664-R667 PolarHBondContact O-N 3.05Å; L664-K668 WeakPolarHBondContact O-CB 3.41Å; L664-K668 WeakPolarHBondContact O-CG 3.44Å; L664-K668 PolarHBondContact O-N 3.09Å; L664-V772 HydrophobicContact CD1-CG1 4.4Å; L664-L774 HydrophobicContact CD1-CD1 4.2Å; L664-I819 HydrophobicContact CD1-CD1 4.07Å
665E90.5Very high89.3Confident49 Ų4924.6 Ų24.623%0.22911%0.112CC..Hα-helixtrans-59.2-48.6176.5-172-169.1146.800111.2V534 R573 L661 S662 K668 S669 L676V534-E665 HydrophobicContact CG2-CB 4.29Å; V534-E665 HydrophobicContact CG2-CG 4.4Å; R573-E665 IonicContact CZ-OE1 3.08Å; R573-E665 IonicContact NH1-OE1 3.5Å; R573-E665 PolarHBondContact NH1-OE1 2.69Å; R573-E665 VanDerWaalsContact NH1-OE1 3.17Å; R573-E665 IonicContact NH2-OE1 3.3Å; R573-E665 PolarHBondContact NH2-OE1 2.68Å; L661-E665 PolarHBondContact O-N 3.24Å; S662-E665 PolarHBondContact O-N 2.82Å; E665-K668 PolarHBondContact O-N 2.79Å; E665-S669 WeakPolarHBondContact O-CB 3.4Å; E665-S669 PolarHBondContact O-N 3.49Å; E665-S669 PolarHBondContact O-OG 2.84Å; E665-L676 HydrophobicContact CG-CD1 3.88Å
666L91.6Very high89.2Confident0 Ų023.3 Ų23.30%011%0.105CC..Hα-helixtrans-68.6-42-178.8-176.254.9000111.3V534 L537 L538 I541 L595 L620 S662 K668 S669 I670 W675V534-L666 HydrophobicContact CG1-CB 4.28Å; V534-L666 HydrophobicContact CG1-CD1 4.12Å; L537-L666 HydrophobicContact CB-CD2 3.72Å; L538-L666 HydrophobicContact CD2-CD1 3.86Å; L538-L666 HydrophobicContact CD2-CD2 4.17Å; I541-L666 HydrophobicContact CD1-CD2 3.76Å; L595-L666 HydrophobicContact CD1-CD1 4.35Å; L620-L666 HydrophobicContact CD1-CB 4.35Å; L620-L666 HydrophobicContact CD1-CD2 4.19Å; L620-L666 HydrophobicContact CD1-CG 3.8Å; L620-L666 HydrophobicContact CD2-CB 4.49Å; L620-L666 HydrophobicContact CD2-CD2 4.18Å; L620-L666 HydrophobicContact CD2-CG 4.39Å; S662-L666 WeakPolarHBondContact O-CB 3.34Å; S662-L666 PolarHBondContact O-N 3.06Å; L666-K668 VanDerWaalsContact C-N 3.34Å; L666-K668 PolarHBondContact O-N 2.9Å; L666-S669 WeakPolarHBondContact O-CB 3.16Å; L666-S669 PolarHBondContact O-N 2.88Å; L666-I670 HydrophobicContact CD1-CD1 4.33Å; L666-I670 HydrophobicContact CD1-CG1 4.3Å; L666-I670 HydrophobicContact CG-CD1 4.37Å; L666-I670 WeakPolarHBondContact O-CG1 3.46Å; L666-I670 PolarHBondContact O-N 2.76Å; L666-W675 HydrophobicContact CD1-CH2 4.45Å; L666-W675 HydrophobicContact CD1-CZ3 4.11Å
667R91Very high88.6Confident44 Ų4424.2 Ų24.217%0.16611%0.111CC..Hα-helixtrans-56.9-47.8176-173-175.475.9123.5-1.9111.1L617 L620 N621 A663 L664 I670 H671L617-R667 HydrophobicContact CD1-CG 4.06Å; L620-R667 HydrophobicContact CB-CB 4.23Å; L620-R667 HydrophobicContact CB-CG 4.32Å; L620-R667 HydrophobicContact CD1-CB 4.39Å; N621-R667 WeakPolarHBondContact OD1-CD 3.17Å; A663-R667 WeakPolarHBondContact O-CB 3.28Å; A663-R667 PolarHBondContact O-N 3.23Å; L664-R667 PolarHBondContact O-N 3.05Å; R667-I670 PolarHBondContact O-N 2.68Å; R667-H671 WeakPolarHBondContact O-CB 3.49Å; R667-H671 PolarHBondContact O-N 3Å
668K87.2Confident88.1Confident3 Ų325.8 Ų25.81%0.01312%0.118CC..Hα-helixtrans-65.9-39.9176.8-70.3-161.7-57.8176.20112.4L664 E665 L666 I670 H671 F672 L676 I819 S820 Y823 D827L664-K668 WeakPolarHBondContact O-CB 3.41Å; L664-K668 WeakPolarHBondContact O-CG 3.44Å; L664-K668 PolarHBondContact O-N 3.09Å; E665-K668 PolarHBondContact O-N 2.79Å; L666-K668 VanDerWaalsContact C-N 3.34Å; L666-K668 PolarHBondContact O-N 2.9Å; K668-I670 VanDerWaalsContact C-N 3.29Å; K668-I670 PolarHBondContact O-N 2.91Å; K668-H671 WeakPolarHBondContact O-CB 3.45Å; K668-H671 PolarHBondContact O-N 3.42Å; K668-F672 VanDerWaalsContact O-CD2 3.26Å; K668-F672 WeakPolarHBondContact O-CD2 3.39Å; K668-F672 PolarHBondContact O-N 3.16Å; K668-L676 HydrophobicContact CB-CD1 3.98Å; K668-L676 HydrophobicContact CB-CD2 4.07Å; K668-L676 HydrophobicContact CB-CG 4.42Å; K668-I819 VanDerWaalsContact NZ-CG2 3.34Å; K668-S820 WeakPolarHBondContact CD-O 3.5Å; K668-S820 WeakPolarHBondContact CE-O 3.15Å; K668-S820 PolarHBondContact NZ-O 3.37Å; K668-Y823 PolarHBondContact NZ-O 2.88Å; K668-D827 IonicContact NZ-OD1 2.62Å; K668-D827 PolarHBondContact NZ-OD1 3.48Å; K668-D827 IonicContact NZ-OD2 3.6Å; K668-D827 PolarHBondContact NZ-OD2 3.48Å
669S90.2Very high87.6Confident0 Ų026 Ų260%012%0.119CC..Hα-helixtrans-58.2-42.9174.7-59.90000111.8L595 E665 L666 R673 R674L595-S669 VanDerWaalsContact CD2-O 3.3Å; L595-S669 WeakPolarHBondContact CD2-O 3.28Å; E665-S669 WeakPolarHBondContact O-CB 3.4Å; E665-S669 PolarHBondContact O-N 3.49Å; E665-S669 PolarHBondContact O-OG 2.84Å; L666-S669 WeakPolarHBondContact O-CB 3.16Å; L666-S669 PolarHBondContact O-N 2.88Å; S669-R673 PolarHBondContact O-N 3.06Å; S669-R674 CarbonylContact C-O 3.6Å; S669-R674 VanDerWaalsContact CA-O 3.22Å; S669-R674 WeakPolarHBondContact CA-O 3.28Å; S669-R674 WeakPolarHBondContact CB-O 3.45Å; S669-R674 PolarHBondContact O-N 3.23Å; S669-R674 VanDerWaalsContact O-N 3.07Å
670I90.2Very high87.3Confident7 Ų726.3 Ų26.34%0.03612%0.121CC..Hα-helixtrans-68.1-40.8176.7-66.6-176.1000111.3L595 L613 A616 L617 L620 L666 R667 K668 F672 R673L595-I670 HydrophobicContact CD1-CG1 4.32Å; L595-I670 HydrophobicContact CD2-CG1 4.28Å; L613-I670 HydrophobicContact CD2-CG2 4.11Å; A616-I670 HydrophobicContact CB-CD1 3.66Å; L617-I670 HydrophobicContact CB-CG2 4.13Å; L617-I670 HydrophobicContact CD1-CG2 4.44Å; L620-I670 HydrophobicContact CD1-CD1 3.56Å; L620-I670 HydrophobicContact CD1-CG1 4.47Å; L666-I670 HydrophobicContact CD1-CD1 4.33Å; L666-I670 HydrophobicContact CD1-CG1 4.3Å; L666-I670 HydrophobicContact CG-CD1 4.37Å; L666-I670 WeakPolarHBondContact O-CG1 3.46Å; L666-I670 PolarHBondContact O-N 2.76Å; R667-I670 PolarHBondContact O-N 2.68Å; K668-I670 VanDerWaalsContact C-N 3.29Å; K668-I670 PolarHBondContact O-N 2.91Å; I670-F672 PolarHBondContact O-N 3.14Å; I670-R673 PolarHBondContact O-N 3.43Å
671H84.3Confident87Confident101 Ų10126.5 Ų26.547%0.46812%0.121SC..Hα-helixtrans-57-48.1175.3-179.475.6000112.2R667 K668 R673R667-H671 WeakPolarHBondContact O-CB 3.49Å; R667-H671 PolarHBondContact O-N 3Å; K668-H671 WeakPolarHBondContact O-CB 3.45Å; K668-H671 PolarHBondContact O-N 3.42Å; H671-R673 PolarHBondContact O-N 2.97Å
672F83.3Confident86.5Confident27 Ų2725 Ų2512%0.11811%0.114CC..THydrogen-bonded Turntrans-77-3.6176-73.2-70.4000114.2K668 I670 R674 L676 I681 N822K668-F672 VanDerWaalsContact O-CD2 3.26Å; K668-F672 WeakPolarHBondContact O-CD2 3.39Å; K668-F672 PolarHBondContact O-N 3.16Å; I670-F672 PolarHBondContact O-N 3.14Å; F672-R674 PolarHBondContact O-N 3.03Å; F672-L676 HydrophobicContact CD2-CD2 3.77Å; F672-L676 HydrophobicContact CE2-CD2 4.23Å; F672-I681 HydrophobicContact CB-CD1 3.91Å; F672-I681 HydrophobicContact CB-CG1 4.24Å; F672-I681 HydrophobicContact CD1-CG1 4.29Å; F672-I681 HydrophobicContact CD2-CG1 4.23Å; F672-I681 HydrophobicContact CG-CD1 4.21Å; F672-I681 HydrophobicContact CG-CG1 4Å; F672-N822 WeakPolarHBondContact CZ-O 3.27Å
673R89.3Confident86.2Confident106 Ų10624.3 Ų24.340%0.411%0.109SC..THydrogen-bonded Turntrans53.524.5-173.6-58.8172.5172.5-99.2-5.2113.3Q597 E610 S669 I670 H671Q597-R673 PolarHBondContact NE2-O 3.44Å; E610-R673 VanDerWaalsContact CD-NH1 3.26Å; E610-R673 IonicContact OE1-CZ 3.91Å; E610-R673 VanDerWaalsContact OE1-CZ 3.31Å; E610-R673 IonicContact OE1-NH1 2.8Å; E610-R673 PolarHBondContact OE1-NH1 2.92Å; E610-R673 IonicContact OE1-NH2 3.38Å; E610-R673 PolarHBondContact OE1-NH2 3.13Å; E610-R673 IonicContact OE2-CZ 3.66Å; E610-R673 IonicContact OE2-NH1 2.89Å; E610-R673 PolarHBondContact OE2-NH1 3.34Å; E610-R673 IonicContact OE2-NH2 3.13Å; S669-R673 PolarHBondContact O-N 3.06Å; I670-R673 PolarHBondContact O-N 3.43Å; H671-R673 PolarHBondContact O-N 2.97Å
674R89.2Confident85.6Confident12 Ų1226.2 Ų26.25%0.04512%0.116CC..SBendtrans-148.9150.8-177.6-70.5-174.3-174.5-110.2-14.4109.5L595 Q597 S669 F672 L676 Y678 I681 Y684 E691L595-R674 CarbonylContact O-C 3.52Å; L595-R674 WeakPolarHBondContact O-CA 3.33Å; Q597-R674 HydrophobicContact CG-CG 4.07Å; S669-R674 CarbonylContact C-O 3.6Å; S669-R674 VanDerWaalsContact CA-O 3.22Å; S669-R674 WeakPolarHBondContact CA-O 3.28Å; S669-R674 WeakPolarHBondContact CB-O 3.45Å; S669-R674 PolarHBondContact O-N 3.23Å; S669-R674 VanDerWaalsContact O-N 3.07Å; F672-R674 PolarHBondContact O-N 3.03Å; R674-L676 PolarHBondContact O-N 3.3Å; R674-Y678 HydrophobicContact CB-CD2 4.27Å; R674-Y678 HydrophobicContact CB-CG 4.45Å; R674-I681 HydrophobicContact CB-CD1 3.78Å; R674-Y684 VanDerWaalsContact CZ-CD1 3.45Å; R674-Y684 VanDerWaalsContact NE-CD1 3.32Å; R674-Y684 VanDerWaalsContact NH1-CZ 3.31Å; R674-Y684 PolarHBondContact NH1-OH 2.87Å; R674-E691 IonicContact CZ-OE1 3.86Å; R674-E691 IonicContact NH1-OE1 3.92Å; R674-E691 PolarHBondContact NH1-OE1 2.94Å; R674-E691 IonicContact NH2-OE1 3.39Å; R674-E691 PolarHBondContact NH2-OE1 3.49Å; R674-E691 IonicContact NH2-OE2 3.49Å; R674-E691 PolarHBondContact NH2-OE2 2.98Å
675W89.2Confident84.5Confident6 Ų627.3 Ų27.32%0.02313%0.129CC..  trans-60136.6165.9-63.3115000110.3V534 L538 R573 F574 Q592 L595 L666 N677 Y678V534-W675 HydrophobicContact CG1-CZ3 4.09Å; L538-W675 HydrophobicContact CD1-CH2 4.03Å; L538-W675 HydrophobicContact CD2-CH2 4.36Å; R573-W675 HydrophobicContact CB-CZ2 4.11Å; F574-W675 HydrophobicContact CD2-CH2 4.34Å; F574-W675 HydrophobicContact CD2-CZ2 4.43Å; F574-W675 AromaticContact CE2-CH2 3.87Å; F574-W675 HydrophobicContact CE2-CH2 3.87Å; F574-W675 HydrophobicContact CE2-CZ2 4.28Å; F574-W675 HydrophobicContact CE2-CZ3 4.33Å; Q592-W675 HydrophobicContact CB-CZ2 4.48Å; Q592-W675 HydrophobicContact CG-CZ2 4.12Å; L595-W675 VanDerWaalsContact C-CD1 3.44Å; L595-W675 HydrophobicContact CB-CD2 3.8Å; L595-W675 VanDerWaalsContact CB-CE2 3.47Å; L595-W675 HydrophobicContact CB-CE3 4.4Å; L595-W675 HydrophobicContact CB-CG 4.1Å; L595-W675 HydrophobicContact CB-CH2 4.45Å; L595-W675 HydrophobicContact CB-CZ2 3.85Å; L595-W675 HydrophobicContact CD1-CD2 4.26Å; L595-W675 HydrophobicContact CD1-CE3 4.06Å; L595-W675 HydrophobicContact CD1-CH2 3.47Å; L595-W675 VanDerWaalsContact CD1-CH2 3.47Å; L595-W675 HydrophobicContact CD1-CZ2 3.68Å; L595-W675 HydrophobicContact CD1-CZ3 3.68Å; L595-W675 HydrophobicContact CG-CZ2 4.41Å; L595-W675 PolarHBondContact O-N 3.46Å; L666-W675 HydrophobicContact CD1-CH2 4.45Å; L666-W675 HydrophobicContact CD1-CZ3 4.11Å; W675-N677 WeakPolarHBondContact CB-OD1 3.41Å; W675-N677 PolarHBondContact O-N 3.35Å; W675-Y678 HydrophobicContact CB-CD2 4.34Å; W675-Y678 PolarHBondContact O-N 2.92Å
676L83.6Confident83.8Confident2 Ų225 Ų251%0.0112%0.118CC..THydrogen-bonded Turntrans-60.3-17.2-178-71.3177.1000113.3E665 K668 F672 R674 Y678 I681 Y864E665-L676 HydrophobicContact CG-CD1 3.88Å; K668-L676 HydrophobicContact CB-CD1 3.98Å; K668-L676 HydrophobicContact CB-CD2 4.07Å; K668-L676 HydrophobicContact CB-CG 4.42Å; F672-L676 HydrophobicContact CD2-CD2 3.77Å; F672-L676 HydrophobicContact CE2-CD2 4.23Å; R674-L676 PolarHBondContact O-N 3.3Å; L676-Y678 VanDerWaalsContact C-N 3.25Å; L676-Y678 PolarHBondContact O-N 3.45Å; L676-I681 HydrophobicContact CD2-CG1 4.26Å; L676-Y864 VanDerWaalsContact C-CE1 3.42Å; L676-Y864 HydrophobicContact CB-CE1 4.5Å; L676-Y864 HydrophobicContact CB-CE2 3.72Å; L676-Y864 VanDerWaalsContact CB-CZ 3.46Å; L676-Y864 WeakPolarHBondContact CB-OH 3.48Å; L676-Y864 WeakPolarHBondContact O-CE1 3.33Å; L676-Y864 PolarHBondContact O-OH 2.81Å
677N76.8Confident83.1Confident48 Ų4828.6 Ų28.626%0.25714%0.143SC..THydrogen-bonded Turntrans-79.15.7173.871.5-37.6000115.9W675 Y864W675-N677 WeakPolarHBondContact CB-OD1 3.41Å; W675-N677 PolarHBondContact O-N 3.35Å; N677-Y864 HydrophobicContact CB-CE1 3.95Å; N677-Y864 PolarHBondContact N-OH 2.84Å
678Y79.1Confident82.7Confident52 Ų5229.2 Ų29.220%0.20415%0.149CC..SBendtrans-66.8131.7165.4-94.9-101.6000110.7G596 R674 W675 L676 I681 Y684G596-Y678 PolarHBondContact O-OH 2.81Å; G596-Y678 VanDerWaalsContact O-OH 3.11Å; R674-Y678 HydrophobicContact CB-CD2 4.27Å; R674-Y678 HydrophobicContact CB-CG 4.45Å; W675-Y678 HydrophobicContact CB-CD2 4.34Å; W675-Y678 PolarHBondContact O-N 2.92Å; L676-Y678 VanDerWaalsContact C-N 3.25Å; L676-Y678 PolarHBondContact O-N 3.45Å; Y678-I681 PolarHBondContact O-N 3.25Å; Y678-Y684 HydrophobicContact CD1-CE2 4.37Å
679P79.2Confident82.5Confident26 Ų2629.6 Ų29.617%0.16915%0.152CC..THydrogen-bonded Turntrans-55143.3171.9-23.933.5000111I681 Y684 I698 I703P679-I681 VanDerWaalsContact C-N 3.26Å; P679-I681 PolarHBondContact O-N 2.85Å; P679-Y684 WeakPolarHBondContact O-CE2 3.16Å; P679-I698 HydrophobicContact CB-CD1 4.07Å; P679-I698 HydrophobicContact CB-CG1 4.18Å; P679-I698 HydrophobicContact CG-CD1 4.45Å; P679-I703 HydrophobicContact CB-CB 4.23Å
680L83.6Confident82.3Confident10 Ų1032.3 Ų32.35%0.05217%0.168CC..THydrogen-bonded Turntrans57.235.3175.5-51.5176000114N682 L683 I694 L697 I698 L702 T704 I708L680-N682 PolarHBondContact O-N 3.18Å; L680-L683 HydrophobicContact CB-CB 4.32Å; L680-L683 HydrophobicContact CB-CD1 3.83Å; L680-L683 HydrophobicContact CB-CG 4.04Å; L680-L683 HydrophobicContact CD1-CD1 3.89Å; L680-L683 HydrophobicContact CD2-CD1 4.25Å; L680-L683 HydrophobicContact CG-CD1 4.22Å; L680-L683 WeakPolarHBondContact O-CB 2.97Å; L680-L683 PolarHBondContact O-N 3.25Å; L680-I694 HydrophobicContact CB-CG2 4.31Å; L680-I694 HydrophobicContact CD1-CG2 4.19Å; L680-L697 HydrophobicContact CD1-CB 4.02Å; L680-L697 HydrophobicContact CD1-CD1 4.28Å; L680-I698 HydrophobicContact CD1-CG1 4.13Å; L680-L702 WeakPolarHBondContact CD1-O 3.08Å; L680-T704 VanDerWaalsContact CD2-C 3.42Å; L680-I708 HydrophobicContact CD1-CD1 3.77Å; L680-I708 HydrophobicContact CD2-CD1 3.47Å; L680-I708 VanDerWaalsContact CD2-CD1 3.47Å; L680-I708 HydrophobicContact CG-CD1 4.26Å
681I82.5Confident82Confident5 Ų535.6 Ų35.63%0.02618%0.183CC..G310 helixtrans-48-40.6-174.4-170.462000113.9F672 R674 L676 Y678 P679 L683 Y684F672-I681 HydrophobicContact CB-CD1 3.91Å; F672-I681 HydrophobicContact CB-CG1 4.24Å; F672-I681 HydrophobicContact CD1-CG1 4.29Å; F672-I681 HydrophobicContact CD2-CG1 4.23Å; F672-I681 HydrophobicContact CG-CD1 4.21Å; F672-I681 HydrophobicContact CG-CG1 4Å; R674-I681 HydrophobicContact CB-CD1 3.78Å; L676-I681 HydrophobicContact CD2-CG1 4.26Å; Y678-I681 PolarHBondContact O-N 3.25Å; P679-I681 VanDerWaalsContact C-N 3.26Å; P679-I681 PolarHBondContact O-N 2.85Å; I681-L683 PolarHBondContact O-N 3.36Å; I681-Y684 PolarHBondContact O-N 2.92Å
682N82.6Confident82Confident8 Ų834.8 Ų34.84%0.04318%0.181CC..G310 helixtrans-67.8-17.3179.5-68.4-26.5000114.6L680 Y733 I737 G824L680-N682 PolarHBondContact O-N 3.18Å; N682-Y733 PolarHBondContact O-OH 3.44Å; N682-I737 HydrophobicContact CB-CD1 3.76Å; N682-G824 PolarHBondContact ND2-O 3.45Å; N682-G824 WeakPolarHBondContact OD1-CA 3.45Å; N682-G824 PolarHBondContact OD1-N 3.29Å; N682-G824 PolarHBondContact OD1-O 3.06Å
683L84.5Confident82.3Confident0 Ų034.2 Ų34.20%018%0.178CC..G310 helixtrans-80.6-23.9176.9-59.4-171.6000111.9L680 I681 G685 S686 L689 I694 L697 I708 L730 Y733 L734L680-L683 HydrophobicContact CB-CB 4.32Å; L680-L683 HydrophobicContact CB-CD1 3.83Å; L680-L683 HydrophobicContact CB-CG 4.04Å; L680-L683 HydrophobicContact CD1-CD1 3.89Å; L680-L683 HydrophobicContact CD2-CD1 4.25Å; L680-L683 HydrophobicContact CG-CD1 4.22Å; L680-L683 WeakPolarHBondContact O-CB 2.97Å; L680-L683 PolarHBondContact O-N 3.25Å; I681-L683 PolarHBondContact O-N 3.36Å; L683-G685 PolarHBondContact O-N 3.11Å; L683-S686 VanDerWaalsContact O-CB 3.31Å; L683-S686 WeakPolarHBondContact O-CB 3.08Å; L683-S686 PolarHBondContact O-N 3.21Å; L683-S686 VanDerWaalsContact O-N 3.09Å; L683-L689 HydrophobicContact CB-CD1 4.03Å; L683-L689 HydrophobicContact CD1-CD1 3.65Å; L683-L689 HydrophobicContact CD2-CD1 4.16Å; L683-L689 HydrophobicContact CG-CD1 4.16Å; L683-I694 HydrophobicContact CB-CD1 3.91Å; L683-I694 HydrophobicContact CB-CG1 4.14Å; L683-L697 HydrophobicContact CD1-CD1 4.18Å; L683-I708 HydrophobicContact CD1-CD1 3.99Å; L683-L730 HydrophobicContact CD2-CD1 4.29Å; L683-Y733 HydrophobicContact CD2-CD1 3.88Å; L683-Y733 HydrophobicContact CD2-CE1 3.68Å; L683-L734 HydrophobicContact CD2-CD2 3.72Å; L683-L734 HydrophobicContact CD2-CG 4.5Å
684Y79.2Confident82.1Confident39 Ų3929.2 Ų29.215%0.15316%0.16CC..THydrogen-bonded Turntrans-69.2-19.9177.7-72.1-78.2000113.3R674 Y678 P679 I681 E691 I694R674-Y684 VanDerWaalsContact CZ-CD1 3.45Å; R674-Y684 VanDerWaalsContact NE-CD1 3.32Å; R674-Y684 VanDerWaalsContact NH1-CZ 3.31Å; R674-Y684 PolarHBondContact NH1-OH 2.87Å; Y678-Y684 HydrophobicContact CD1-CE2 4.37Å; P679-Y684 WeakPolarHBondContact O-CE2 3.16Å; I681-Y684 PolarHBondContact O-N 2.92Å; Y684-E691 HydrophobicContact CE1-CG 4.12Å; Y684-I694 HydrophobicContact CD1-CD1 3.56Å; Y684-I694 HydrophobicContact CD2-CD1 4.3Å; Y684-I694 HydrophobicContact CE1-CB 4.34Å; Y684-I694 HydrophobicContact CE1-CD1 3.82Å; Y684-I694 HydrophobicContact CE1-CG2 4.1Å; Y684-I694 HydrophobicContact CE2-CG2 3.98Å; Y684-I694 HydrophobicContact CG-CD1 3.84Å
685G68.2Low82Confident28 Ų2831.2 Ų31.229%0.28917%0.17SC..THydrogen-bonded Turntrans-92.2-2.1171.900000114.1L683L683-G685 PolarHBondContact O-N 3.11Å
686S74.1Confident81.9Confident2 Ų234 Ų341%0.01418%0.182CC..  trans-83136.1-178.1-171.50000111L683 L688 Y733L683-S686 VanDerWaalsContact O-CB 3.31Å; L683-S686 WeakPolarHBondContact O-CB 3.08Å; L683-S686 PolarHBondContact O-N 3.21Å; L683-S686 VanDerWaalsContact O-N 3.09Å; S686-L688 PolarHBondContact O-N 3.42Å; S686-L688 WeakPolarHBondContact OG-CB 3.46Å; S686-L688 PolarHBondContact OG-N 3.3Å; S686-Y733 VanDerWaalsContact CB-CZ 3.49Å; S686-Y733 WeakPolarHBondContact CB-OH 3.36Å; S686-Y733 WeakPolarHBondContact OG-CE2 3.37Å
687S77.3Confident82.2Confident74 Ų7434 Ų3452%0.51718%0.182SC..SBendtrans-70.3-14.8168.956.90000113.4T1079S687-T1079 WeakPolarHBondContact CA-OG1 3.11Å; S687-T1079 WeakPolarHBondContact CB-OG1 3.38Å
688L82.5Confident82.6Confident57 Ų5732 Ų3230%0.29817%0.171SC..SBendtrans-73-38.9-177.1-66167.7000112.4S686 Y726 Y733S686-L688 PolarHBondContact O-N 3.42Å; S686-L688 WeakPolarHBondContact OG-CB 3.46Å; S686-L688 PolarHBondContact OG-N 3.3Å; L688-Y726 PolarHBondContact O-OH 3.02Å; L688-Y733 HydrophobicContact CD1-CD2 3.82Å; L688-Y733 HydrophobicContact CD1-CG 3.66Å
689L84.1Confident83Confident12 Ų1231.5 Ų31.56%0.06318%0.182CC..  trans-116.2132.5-170-74.1165.2000111.8L683 Q693 I694 L697 L720 Y726 L730L683-L689 HydrophobicContact CB-CD1 4.03Å; L683-L689 HydrophobicContact CD1-CD1 3.65Å; L683-L689 HydrophobicContact CD2-CD1 4.16Å; L683-L689 HydrophobicContact CG-CD1 4.16Å; L689-Q693 HydrophobicContact CD2-CB 3.69Å; L689-I694 HydrophobicContact CB-CD1 4.42Å; L689-I694 HydrophobicContact CB-CG1 4.02Å; L689-I694 HydrophobicContact CD1-CG1 4.31Å; L689-L697 HydrophobicContact CD1-CD1 4.26Å; L689-L720 HydrophobicContact CD2-CD1 4.07Å; L689-L720 HydrophobicContact CD2-CD2 4.42Å; L689-Y726 HydrophobicContact CD2-CE1 4.07Å; L689-Y726 WeakPolarHBondContact CD2-OH 3.44Å; L689-L730 HydrophobicContact CD1-CD1 3.53Å; L689-L730 HydrophobicContact CD1-CD2 4.45Å; L689-L730 HydrophobicContact CG-CD1 4.29Å
690T85.7Confident83.4Confident56 Ų5632.3 Ų32.334%0.34419%0.191SC..  trans-76.2154.7164.762.80000110.7M692 Q693 I694T690-M692 PolarHBondContact O-N 2.95Å; T690-M692 VanDerWaalsContact O-N 3.17Å; T690-Q693 WeakPolarHBondContact O-CB 3.25Å; T690-Q693 PolarHBondContact O-N 3.06Å; T690-Q693 WeakPolarHBondContact OG1-CG 3.28Å; T690-Q693 PolarHBondContact OG1-N 3.22Å; T690-Q693 PolarHBondContact OG1-OE1 3.41Å; T690-I694 PolarHBondContact O-N 3.15Å; T690-I694 VanDerWaalsContact O-N 3.08Å
691E83.3Confident83.6Confident77 Ų7737.2 Ų37.236%0.3622%0.217SC..Hα-helixtrans-53.9-37.4174.5171.2164.4-16100112.7R674 Y684 Q693 I694 E695R674-E691 IonicContact CZ-OE1 3.86Å; R674-E691 IonicContact NH1-OE1 3.92Å; R674-E691 PolarHBondContact NH1-OE1 2.94Å; R674-E691 IonicContact NH2-OE1 3.39Å; R674-E691 PolarHBondContact NH2-OE1 3.49Å; R674-E691 IonicContact NH2-OE2 3.49Å; R674-E691 PolarHBondContact NH2-OE2 2.98Å; Y684-E691 HydrophobicContact CE1-CG 4.12Å; E691-Q693 VanDerWaalsContact C-N 3.34Å; E691-Q693 PolarHBondContact O-N 3.09Å; E691-I694 PolarHBondContact O-N 3.14Å; E691-E695 PolarHBondContact O-N 2.96Å
692M85.3Confident83.8Confident84 Ų8437.8 Ų37.841%0.41422%0.22SC..Hα-helixtrans-62.3-40.2175.8179.1-177.644.800112T690 E695 K696 Y1072T690-M692 PolarHBondContact O-N 2.95Å; T690-M692 VanDerWaalsContact O-N 3.17Å; M692-E695 PolarHBondContact O-N 3.46Å; M692-K696 WeakPolarHBondContact O-CG 3.29Å; M692-K696 PolarHBondContact O-N 3.08Å; M692-K696 VanDerWaalsContact O-N 3.1Å; M692-Y1072 HydrophobicContact CE-CE1 4.47Å; M692-Y1072 HydrophobicContact SD-CE1 4.44Å; M692-Y1072 HydrophobicContact SD-CE2 4.39Å; M692-Y1072 PolarHBondContact SD-OH 3.05Å
693Q88.5Confident83.8Confident14 Ų1439 Ų397%0.06523%0.226CC..Hα-helixtrans-68.3-38177.3-75.4163-40.700111.4L689 T690 E691 E695 K696 L697 L720 E722 Y726L689-Q693 HydrophobicContact CD2-CB 3.69Å; T690-Q693 WeakPolarHBondContact O-CB 3.25Å; T690-Q693 PolarHBondContact O-N 3.06Å; T690-Q693 WeakPolarHBondContact OG1-CG 3.28Å; T690-Q693 PolarHBondContact OG1-N 3.22Å; T690-Q693 PolarHBondContact OG1-OE1 3.41Å; E691-Q693 VanDerWaalsContact C-N 3.34Å; E691-Q693 PolarHBondContact O-N 3.09Å; Q693-E695 VanDerWaalsContact C-N 3.32Å; Q693-E695 PolarHBondContact O-N 3.42Å; Q693-K696 WeakPolarHBondContact O-CB 2.96Å; Q693-K696 PolarHBondContact O-N 3.17Å; Q693-K696 VanDerWaalsContact O-N 3.14Å; Q693-L697 PolarHBondContact O-N 2.68Å; Q693-L697 VanDerWaalsContact O-N 3.11Å; Q693-L720 HydrophobicContact CB-CD2 3.88Å; Q693-L720 HydrophobicContact CG-CD2 4.32Å; Q693-L720 WeakPolarHBondContact O-CD2 3.47Å; Q693-E722 PolarHBondContact NE2-OE1 2.91Å; Q693-Y726 PolarHBondContact NE2-OH 3.28Å; Q693-Y726 PolarHBondContact OE1-OH 3.3Å
694I86.2Confident83.5Confident1 Ų139.5 Ų39.51%0.00523%0.23CC..Hα-helixtrans-61-43.7173.6-59.7169.7000110.3L680 L683 Y684 L689 T690 E691 K696 L697 I698L680-I694 HydrophobicContact CB-CG2 4.31Å; L680-I694 HydrophobicContact CD1-CG2 4.19Å; L683-I694 HydrophobicContact CB-CD1 3.91Å; L683-I694 HydrophobicContact CB-CG1 4.14Å; Y684-I694 HydrophobicContact CD1-CD1 3.56Å; Y684-I694 HydrophobicContact CD2-CD1 4.3Å; Y684-I694 HydrophobicContact CE1-CB 4.34Å; Y684-I694 HydrophobicContact CE1-CD1 3.82Å; Y684-I694 HydrophobicContact CE1-CG2 4.1Å; Y684-I694 HydrophobicContact CE2-CG2 3.98Å; Y684-I694 HydrophobicContact CG-CD1 3.84Å; L689-I694 HydrophobicContact CB-CD1 4.42Å; L689-I694 HydrophobicContact CB-CG1 4.02Å; L689-I694 HydrophobicContact CD1-CG1 4.31Å; T690-I694 PolarHBondContact O-N 3.15Å; T690-I694 VanDerWaalsContact O-N 3.08Å; E691-I694 PolarHBondContact O-N 3.14Å; I694-K696 VanDerWaalsContact C-N 3.28Å; I694-K696 PolarHBondContact O-N 3.4Å; I694-L697 WeakPolarHBondContact O-CB 3.24Å; I694-L697 PolarHBondContact O-N 2.81Å; I694-L697 VanDerWaalsContact O-N 3.15Å; I694-I698 HydrophobicContact CG2-CD1 3.99Å; I694-I698 WeakPolarHBondContact O-CG1 3.37Å; I694-I698 PolarHBondContact O-N 2.86Å
695E85.4Confident83.6Confident55 Ų5539 Ų3926%0.25723%0.232SC..Hα-helixtrans-63.1-29.9175.3-81.4-66.6153.500113.8E691 M692 Q693 G699 Y987 K991E691-E695 PolarHBondContact O-N 2.96Å; M692-E695 PolarHBondContact O-N 3.46Å; Q693-E695 VanDerWaalsContact C-N 3.32Å; Q693-E695 PolarHBondContact O-N 3.42Å; E695-G699 PolarHBondContact O-N 3.18Å; E695-Y987 PolarHBondContact OE1-OH 3.19Å; E695-Y987 PolarHBondContact OE2-OH 3.46Å; E695-K991 IonicContact OE2-NZ 2.75Å; E695-K991 PolarHBondContact OE2-NZ 3.19Å; E695-K991 VanDerWaalsContact OE2-NZ 3.08Å
696K88.8Confident84.2Confident65 Ų6538.8 Ų38.828%0.28323%0.226SC..Hα-helixtrans-67.5-44171.5-69.5-177.9-172.6-178.20111.6M692 Q693 I694 I698 G699 A700 L720M692-K696 WeakPolarHBondContact O-CG 3.29Å; M692-K696 PolarHBondContact O-N 3.08Å; M692-K696 VanDerWaalsContact O-N 3.1Å; Q693-K696 WeakPolarHBondContact O-CB 2.96Å; Q693-K696 PolarHBondContact O-N 3.17Å; Q693-K696 VanDerWaalsContact O-N 3.14Å; I694-K696 VanDerWaalsContact C-N 3.28Å; I694-K696 PolarHBondContact O-N 3.4Å; K696-I698 VanDerWaalsContact C-N 3.33Å; K696-I698 PolarHBondContact O-N 3.21Å; K696-G699 CarbonylContact O-C 3.56Å; K696-G699 WeakPolarHBondContact O-CA 3.42Å; K696-G699 PolarHBondContact O-N 3.04Å; K696-A700 PolarHBondContact O-N 3.36Å; K696-L720 HydrophobicContact CB-CD2 4.37Å; K696-L720 PolarHBondContact NZ-O 2.93Å
697L89.3Confident84.7Confident0 Ų039.8 Ų39.80%023%0.234CC..Hα-helixtrans-59.3-47.3175.6-65.6171.5000110.7L680 L683 L689 Q693 I694 G699 A700 N701 L702 I708 L716 I719 L720 L730L680-L697 HydrophobicContact CD1-CB 4.02Å; L680-L697 HydrophobicContact CD1-CD1 4.28Å; L683-L697 HydrophobicContact CD1-CD1 4.18Å; L689-L697 HydrophobicContact CD1-CD1 4.26Å; Q693-L697 PolarHBondContact O-N 2.68Å; Q693-L697 VanDerWaalsContact O-N 3.11Å; I694-L697 WeakPolarHBondContact O-CB 3.24Å; I694-L697 PolarHBondContact O-N 2.81Å; I694-L697 VanDerWaalsContact O-N 3.15Å; L697-G699 VanDerWaalsContact C-N 3.31Å; L697-G699 PolarHBondContact O-N 2.97Å; L697-A700 CarbonylContact O-C 3.45Å; L697-A700 WeakPolarHBondContact O-CA 3.43Å; L697-A700 WeakPolarHBondContact O-CB 3.33Å; L697-A700 PolarHBondContact O-N 2.86Å; L697-N701 PolarHBondContact O-N 3.12Å; L697-L702 CarbonylContact C-O 3.54Å; L697-L702 HydrophobicContact CB-CB 4.39Å; L697-L702 HydrophobicContact CD2-CD1 4.04Å; L697-L702 WeakPolarHBondContact O-CB 3.3Å; L697-L702 PolarHBondContact O-N 2.79Å; L697-I708 HydrophobicContact CD1-CD1 4.02Å; L697-L716 HydrophobicContact CD2-CD2 4.19Å; L697-I719 HydrophobicContact CD2-CG2 4.18Å; L697-L720 HydrophobicContact CD1-CD2 4.29Å; L697-L720 HydrophobicContact CD2-CD1 4.26Å; L697-L720 HydrophobicContact CD2-CD2 3.76Å; L697-L720 HydrophobicContact CD2-CG 4.03Å; L697-L720 HydrophobicContact CG-CD2 3.7Å; L697-L720 HydrophobicContact CG-CG 4.49Å; L697-L730 HydrophobicContact CD1-CD2 4.32Å
698I86.1Confident85.1Confident6 Ų636.3 Ų36.33%0.03121%0.209CC..Hα-helixtrans-62.4-40.5176.2-62.8167.4000110.9P679 L680 I694 K696 A700 N701 I703 Y987P679-I698 HydrophobicContact CB-CD1 4.07Å; P679-I698 HydrophobicContact CB-CG1 4.18Å; P679-I698 HydrophobicContact CG-CD1 4.45Å; L680-I698 HydrophobicContact CD1-CG1 4.13Å; I694-I698 HydrophobicContact CG2-CD1 3.99Å; I694-I698 WeakPolarHBondContact O-CG1 3.37Å; I694-I698 PolarHBondContact O-N 2.86Å; K696-I698 VanDerWaalsContact C-N 3.33Å; K696-I698 PolarHBondContact O-N 3.21Å; I698-A700 PolarHBondContact O-N 3.26Å; I698-N701 PolarHBondContact O-N 2.84Å; I698-I703 HydrophobicContact CG2-CG2 4.18Å; I698-Y987 HydrophobicContact CG2-CE1 3.41Å; I698-Y987 VanDerWaalsContact CG2-CE1 3.41Å; I698-Y987 WeakPolarHBondContact CG2-OH 3.37Å
699G86.1Confident85.3Confident43 Ų4336.3 Ų36.344%0.44321%0.208SC..Hα-helixtrans-61.6-28.6173.900000114.2E695 K696 L697 N701E695-G699 PolarHBondContact O-N 3.18Å; K696-G699 CarbonylContact O-C 3.56Å; K696-G699 WeakPolarHBondContact O-CA 3.42Å; K696-G699 PolarHBondContact O-N 3.04Å; L697-G699 VanDerWaalsContact C-N 3.31Å; L697-G699 PolarHBondContact O-N 2.97Å; G699-N701 PolarHBondContact O-N 3.45Å
700A88.4Confident85.4Confident43 Ų4342.7 Ų42.736%0.35524%0.237SC..THydrogen-bonded Turntrans-8411.5173.200000113.6K696 L697 I698 L702 I719K696-A700 PolarHBondContact O-N 3.36Å; L697-A700 CarbonylContact O-C 3.45Å; L697-A700 WeakPolarHBondContact O-CA 3.43Å; L697-A700 WeakPolarHBondContact O-CB 3.33Å; L697-A700 PolarHBondContact O-N 2.86Å; I698-A700 PolarHBondContact O-N 3.26Å; A700-L702 HydrophobicContact CB-CG 4.46Å; A700-L702 PolarHBondContact O-N 3.11Å; A700-I719 HydrophobicContact CB-CD1 3.88Å; A700-I719 HydrophobicContact CB-CG1 4.16Å; A700-I719 HydrophobicContact CB-CG2 3.74Å
701N86.8Confident85.6Confident113 Ų11340.9 Ų40.960%0.60423%0.226SC*.THydrogen-bonded Turntrans60.620.4-173.4-65.4-33.9000114.5L697 I698 G699 I703 M988L697-N701 PolarHBondContact O-N 3.12Å; I698-N701 PolarHBondContact O-N 2.84Å; G699-N701 PolarHBondContact O-N 3.45Å; N701-I703 PolarHBondContact O-N 2.78Å; N701-M988 WeakPolarHBondContact OD1-CE 3.43Å
702L86.9Confident85.9Confident17 Ų1744.8 Ų44.89%0.08925%0.245CC..  trans-89.178.4168.7-59.4177.7000108.3L680 L697 A700 T704 A707 I708 T711 L716 I719L680-L702 WeakPolarHBondContact CD1-O 3.08Å; L697-L702 CarbonylContact C-O 3.54Å; L697-L702 HydrophobicContact CB-CB 4.39Å; L697-L702 HydrophobicContact CD2-CD1 4.04Å; L697-L702 WeakPolarHBondContact O-CB 3.3Å; L697-L702 PolarHBondContact O-N 2.79Å; A700-L702 HydrophobicContact CB-CG 4.46Å; A700-L702 PolarHBondContact O-N 3.11Å; L702-T704 VanDerWaalsContact C-N 3.3Å; L702-A707 HydrophobicContact CD2-CB 3.94Å; L702-I708 HydrophobicContact CB-CG1 3.92Å; L702-I708 HydrophobicContact CD1-CG1 4.35Å; L702-T711 HydrophobicContact CD1-CG2 4.49Å; L702-T711 WeakPolarHBondContact CD2-OG1 3.03Å; L702-L716 HydrophobicContact CD1-CD2 3.65Å; L702-I719 HydrophobicContact CD1-CD1 3.78Å
703I83Confident86.1Confident33 Ų3342.8 Ų42.817%0.16924%0.239CC..  trans-91.63.7-175.268.1-174.5000113P679 I698 N701P679-I703 HydrophobicContact CB-CB 4.23Å; I698-I703 HydrophobicContact CG2-CG2 4.18Å; N701-I703 PolarHBondContact O-N 2.78Å
704T78.5Confident86.1Confident11 Ų1143.6 Ų43.67%0.06725%0.251CS..SBendtrans-139.4142.6-161.553.70000112.4L680 L702 S706 A707 I708 E866L680-T704 VanDerWaalsContact CD2-C 3.42Å; L702-T704 VanDerWaalsContact C-N 3.3Å; T704-S706 PolarHBondContact O-N 3.2Å; T704-A707 PolarHBondContact O-N 3.35Å; T704-A707 WeakPolarHBondContact OG1-CB 3.34Å; T704-A707 PolarHBondContact OG1-N 2.97Å; T704-A707 VanDerWaalsContact OG1-N 3.07Å; T704-I708 WeakPolarHBondContact O-CG1 3.37Å; T704-I708 PolarHBondContact O-N 3.44Å; T704-E866 WeakPolarHBondContact CA-OE1 3.33Å; T704-E866 WeakPolarHBondContact CB-OE1 3.35Å; T704-E866 WeakPolarHBondContact CB-OE2 3.47Å; T704-E866 HydrophobicContact CG2-CB 3.54Å; T704-E866 HydrophobicContact CG2-CG 3.19Å; T704-E866 WeakPolarHBondContact CG2-OE1 3.4Å; T704-E866 VanDerWaalsContact CG2-OE2 3.3Å; T704-E866 WeakPolarHBondContact CG2-OE2 3.48Å
705C82.1Confident86.3Confident29 Ų2949.6 Ų49.620%0.19628%0.277CS..Hα-helixtrans-63.8-37.3175.6-71.90000110.4I708 Q709 L734 E866C705-I708 PolarHBondContact O-N 3.38Å; C705-Q709 WeakPolarHBondContact O-CG 3.35Å; C705-Q709 PolarHBondContact O-N 2.96Å; C705-L734 HydrophobicContact CB-CD2 4.1Å; C705-E866 PolarHBondContact N-OE1 2.6Å; C705-E866 VanDerWaalsContact N-OE1 3.1Å
706S80.8Confident86.5Confident23 Ų2347 Ų4716%0.16126%0.264CS..Hα-helixtrans-66.7-38.4177.6-173.70000113T704 I708 Q709 Q710 E866T704-S706 PolarHBondContact O-N 3.2Å; S706-I708 VanDerWaalsContact C-N 3.34Å; S706-Q709 PolarHBondContact O-N 3.43Å; S706-Q710 VanDerWaalsContact O-CG 3.29Å; S706-Q710 WeakPolarHBondContact O-CG 3.25Å; S706-Q710 PolarHBondContact O-N 3.49Å; S706-Q710 PolarHBondContact OG-NE2 3.33Å; S706-E866 WeakPolarHBondContact CB-OE2 3.4Å
707A83.7Confident86.6Confident23 Ų2344.7 Ų44.719%0.1926%0.255CS..Hα-helixtrans-72.1-31.517800000111.8L702 T704 Q710 T711L702-A707 HydrophobicContact CD2-CB 3.94Å; T704-A707 PolarHBondContact O-N 3.35Å; T704-A707 WeakPolarHBondContact OG1-CB 3.34Å; T704-A707 PolarHBondContact OG1-N 2.97Å; T704-A707 VanDerWaalsContact OG1-N 3.07Å; A707-Q710 PolarHBondContact O-N 3.32Å; A707-T711 PolarHBondContact O-N 2.61Å; A707-T711 PolarHBondContact O-OG1 2.93Å
708I86.6Confident86.6Confident0 Ų050.7 Ų50.70%029%0.287CS..Hα-helixtrans-65.7-45.5172.4-61.5167.5000109.7L680 L683 L697 L702 T704 C705 S706 Q710 T711 L716 L730 L734L680-I708 HydrophobicContact CD1-CD1 3.77Å; L680-I708 HydrophobicContact CD2-CD1 3.47Å; L680-I708 VanDerWaalsContact CD2-CD1 3.47Å; L680-I708 HydrophobicContact CG-CD1 4.26Å; L683-I708 HydrophobicContact CD1-CD1 3.99Å; L697-I708 HydrophobicContact CD1-CD1 4.02Å; L702-I708 HydrophobicContact CB-CG1 3.92Å; L702-I708 HydrophobicContact CD1-CG1 4.35Å; T704-I708 WeakPolarHBondContact O-CG1 3.37Å; T704-I708 PolarHBondContact O-N 3.44Å; C705-I708 PolarHBondContact O-N 3.38Å; S706-I708 VanDerWaalsContact C-N 3.34Å; I708-Q710 VanDerWaalsContact C-N 3.27Å; I708-Q710 PolarHBondContact O-N 3.04Å; I708-T711 WeakPolarHBondContact O-CB 3.46Å; I708-T711 PolarHBondContact O-N 3.47Å; I708-L716 HydrophobicContact CG2-CD1 3.77Å; I708-L716 HydrophobicContact CG2-CD2 3.88Å; I708-L730 HydrophobicContact CG2-CD2 4.09Å; I708-L730 HydrophobicContact CG2-CG 4.36Å; I708-L734 HydrophobicContact CB-CD1 3.7Å; I708-L734 HydrophobicContact CD1-CD1 4.45Å; I708-L734 HydrophobicContact CG2-CD1 3.36Å
709Q85.8Confident86.8Confident58 Ų5852.3 Ų52.327%0.27130%0.295SS..Hα-helixtrans-60.5-32.5176.7-80.3172.6-30.400113.6C705 S706 T711 L734 D735C705-Q709 WeakPolarHBondContact O-CG 3.35Å; C705-Q709 PolarHBondContact O-N 2.96Å; S706-Q709 PolarHBondContact O-N 3.43Å; Q709-T711 VanDerWaalsContact C-N 3.31Å; Q709-L734 HydrophobicContact CG-CB 4.06Å; Q709-L734 HydrophobicContact CG-CD1 4.2Å; Q709-L734 PolarHBondContact NE2-O 2.76Å; Q709-D735 PolarHBondContact NE2-OD1 2.85Å
710Q87.1Confident86.9Confident145 Ų14550.2 Ų50.268%0.67827%0.274SS*.THydrogen-bonded Turntrans-80.9-8.9175.4-70.3171.710.300113.6S706 A707 I708S706-Q710 VanDerWaalsContact O-CG 3.29Å; S706-Q710 WeakPolarHBondContact O-CG 3.25Å; S706-Q710 PolarHBondContact O-N 3.49Å; S706-Q710 PolarHBondContact OG-NE2 3.33Å; A707-Q710 PolarHBondContact O-N 3.32Å; I708-Q710 VanDerWaalsContact C-N 3.27Å; I708-Q710 PolarHBondContact O-N 3.04Å
711T89.1Confident86.9Confident18 Ų1854.4 Ų54.411%0.1129%0.29CS..SBendtrans-90.8130.9-179.5-60.30000110.1L702 A707 I708 Q709 K715 L716L702-T711 HydrophobicContact CD1-CG2 4.49Å; L702-T711 WeakPolarHBondContact CD2-OG1 3.03Å; A707-T711 PolarHBondContact O-N 2.61Å; A707-T711 PolarHBondContact O-OG1 2.93Å; I708-T711 WeakPolarHBondContact O-CB 3.46Å; I708-T711 PolarHBondContact O-N 3.47Å; Q709-T711 VanDerWaalsContact C-N 3.31Å; T711-K715 HydrophobicContact CG2-CB 3.86Å; T711-K715 HydrophobicContact CG2-CD 3.92Å; T711-K715 HydrophobicContact CG2-CG 3.89Å; T711-L716 HydrophobicContact CG2-CD2 3.68Å; T711-L716 HydrophobicContact CG2-CG 3.85Å
712E89.5Confident87Confident160 Ų16052.5 Ų52.575%0.74828%0.278SS*.  trans-57.2140.7176.5-64.6-179.9173.800112G714 K715 L716E712-G714 VanDerWaalsContact C-N 3.26Å; E712-G714 PolarHBondContact O-N 2.81Å; E712-K715 WeakPolarHBondContact O-CB 3.44Å; E712-K715 PolarHBondContact O-N 3.25Å; E712-L716 PolarHBondContact O-N 2.81Å; E712-L716 VanDerWaalsContact O-N 3.15Å
713S89.2Confident87Confident42 Ų4262 Ų6229%0.29431%0.312SS..Hα-helixtrans-54.9-40.1-175.962.50000113K715 L716 E717S713-K715 VanDerWaalsContact C-N 3.3Å; S713-K715 PolarHBondContact O-N 3.02Å; S713-L716 WeakPolarHBondContact O-CB 3.21Å; S713-L716 PolarHBondContact O-N 3.31Å; S713-E717 WeakPolarHBondContact O-CG 3.22Å; S713-E717 PolarHBondContact O-N 3.33Å
714G88.1Confident87.1Confident30 Ų3065.1 Ų65.131%0.30934%0.335SS..Hα-helixtrans-65.4-31177.900000113.4E712 N718E712-G714 VanDerWaalsContact C-N 3.26Å; E712-G714 PolarHBondContact O-N 2.81Å; G714-N718 PolarHBondContact O-N 3.04Å; G714-N718 VanDerWaalsContact O-N 3.1Å; G714-N718 PolarHBondContact O-ND2 3.2Å
715K90.1Very high87.5Confident127 Ų12767.7 Ų67.755%0.55235%0.352SS*.Hα-helixtrans-74.3-35.7175-175.5170.9173.4-171.60111.5T711 E712 S713 N718 I719T711-K715 HydrophobicContact CG2-CB 3.86Å; T711-K715 HydrophobicContact CG2-CD 3.92Å; T711-K715 HydrophobicContact CG2-CG 3.89Å; E712-K715 WeakPolarHBondContact O-CB 3.44Å; E712-K715 PolarHBondContact O-N 3.25Å; S713-K715 VanDerWaalsContact C-N 3.3Å; S713-K715 PolarHBondContact O-N 3.02Å; K715-N718 PolarHBondContact O-N 2.99Å; K715-I719 HydrophobicContact CG-CD1 4.13Å; K715-I719 VanDerWaalsContact O-CG1 3.26Å; K715-I719 WeakPolarHBondContact O-CG1 3.45Å; K715-I719 PolarHBondContact O-N 3.47Å
716L90.2Very high87.8Confident0 Ų068.3 Ų68.30%035%0.35CS..Hα-helixtrans-63.9-44172.9-64.5175.4000111.5L697 L702 I708 T711 E712 S713 N718 I719 L720 L730 L731L697-L716 HydrophobicContact CD2-CD2 4.19Å; L702-L716 HydrophobicContact CD1-CD2 3.65Å; I708-L716 HydrophobicContact CG2-CD1 3.77Å; I708-L716 HydrophobicContact CG2-CD2 3.88Å; T711-L716 HydrophobicContact CG2-CD2 3.68Å; T711-L716 HydrophobicContact CG2-CG 3.85Å; E712-L716 PolarHBondContact O-N 2.81Å; E712-L716 VanDerWaalsContact O-N 3.15Å; S713-L716 WeakPolarHBondContact O-CB 3.21Å; S713-L716 PolarHBondContact O-N 3.31Å; L716-N718 VanDerWaalsContact C-N 3.32Å; L716-N718 PolarHBondContact O-N 2.84Å; L716-I719 PolarHBondContact O-N 2.93Å; L716-L720 WeakPolarHBondContact O-CB 3.17Å; L716-L720 VanDerWaalsContact O-CG 3.28Å; L716-L720 WeakPolarHBondContact O-CG 3.21Å; L716-L720 PolarHBondContact O-N 3.32Å; L716-L730 HydrophobicContact CD1-CD2 4.38Å; L716-L731 HydrophobicContact CD1-CD1 4.46Å; L716-L731 HydrophobicContact CD1-CD2 3.99Å; L716-L731 HydrophobicContact CD1-CG 4.09Å
717E91.6Very high88.1Confident17 Ų1767.2 Ų67.28%0.07934%0.342CS..Hα-helixtrans-57.7-44.7175-74.2159.7-176.400111.6S713 L720 N721 E722 P724 Y726 G727S713-E717 WeakPolarHBondContact O-CG 3.22Å; S713-E717 PolarHBondContact O-N 3.33Å; E717-L720 PolarHBondContact O-N 3Å; E717-N721 WeakPolarHBondContact O-CA 3.37Å; E717-N721 PolarHBondContact O-N 2.85Å; E717-E722 WeakPolarHBondContact CB-O 3.38Å; E717-E722 PolarHBondContact O-N 2.92Å; E717-P724 WeakPolarHBondContact OE1-CA 3.42Å; E717-P724 VanDerWaalsContact OE2-CG 3.31Å; E717-P724 WeakPolarHBondContact OE2-CG 3.42Å; E717-Y726 PolarHBondContact OE1-N 3.07Å; E717-G727 VanDerWaalsContact CG-N 3.33Å; E717-G727 PolarHBondContact OE1-N 2.97Å
718N89Confident88.4Confident126 Ų12673 Ų7367%0.67436%0.36SS*.Hα-helixtrans-64.7-39.5175.3-72.1-24000113.2G714 K715 L716 N721G714-N718 PolarHBondContact O-N 3.04Å; G714-N718 VanDerWaalsContact O-N 3.1Å; G714-N718 PolarHBondContact O-ND2 3.2Å; K715-N718 PolarHBondContact O-N 2.99Å; L716-N718 VanDerWaalsContact C-N 3.32Å; L716-N718 PolarHBondContact O-N 2.84Å; N718-N721 PolarHBondContact O-OD1 3.2Å
719I89.5Confident88.5Confident40 Ų4078.2 Ų78.221%0.20538%0.382CS..Hα-helixtrans-67.2-40.1177.6-70.9163.6000110.7L697 A700 L702 K715 L716L697-I719 HydrophobicContact CD2-CG2 4.18Å; A700-I719 HydrophobicContact CB-CD1 3.88Å; A700-I719 HydrophobicContact CB-CG1 4.16Å; A700-I719 HydrophobicContact CB-CG2 3.74Å; L702-I719 HydrophobicContact CD1-CD1 3.78Å; K715-I719 HydrophobicContact CG-CD1 4.13Å; K715-I719 VanDerWaalsContact O-CG1 3.26Å; K715-I719 WeakPolarHBondContact O-CG1 3.45Å; K715-I719 PolarHBondContact O-N 3.47Å; L716-I719 PolarHBondContact O-N 2.93Å
720L88.8Confident88.7Confident0 Ų075.6 Ų75.60%037%0.37CS..Hα-helixtrans-82.2-17.2-175.7-66.2177.5000113L689 Q693 K696 L697 L716 E717 E722 Y726 L730L689-L720 HydrophobicContact CD2-CD1 4.07Å; L689-L720 HydrophobicContact CD2-CD2 4.42Å; Q693-L720 HydrophobicContact CB-CD2 3.88Å; Q693-L720 HydrophobicContact CG-CD2 4.32Å; Q693-L720 WeakPolarHBondContact O-CD2 3.47Å; K696-L720 HydrophobicContact CB-CD2 4.37Å; K696-L720 PolarHBondContact NZ-O 2.93Å; L697-L720 HydrophobicContact CD1-CD2 4.29Å; L697-L720 HydrophobicContact CD2-CD1 4.26Å; L697-L720 HydrophobicContact CD2-CD2 3.76Å; L697-L720 HydrophobicContact CD2-CG 4.03Å; L697-L720 HydrophobicContact CG-CD2 3.7Å; L697-L720 HydrophobicContact CG-CG 4.49Å; L716-L720 WeakPolarHBondContact O-CB 3.17Å; L716-L720 VanDerWaalsContact O-CG 3.28Å; L716-L720 WeakPolarHBondContact O-CG 3.21Å; L716-L720 PolarHBondContact O-N 3.32Å; E717-L720 PolarHBondContact O-N 3Å; L720-E722 VanDerWaalsContact C-N 3.33Å; L720-E722 HydrophobicContact CB-CB 4.36Å; L720-E722 HydrophobicContact CB-CG 3.95Å; L720-Y726 HydrophobicContact CD1-CD1 4.02Å; L720-Y726 HydrophobicContact CD1-CE1 3.66Å; L720-L730 HydrophobicContact CD1-CD2 4Å
721N89.1Confident88.9Confident130 Ų13070.3 Ų70.370%0.69535%0.346SS*.THydrogen-bonded Turntrans60.239.2-166.7-62.4-24.9000112.6E717 N718E717-N721 WeakPolarHBondContact O-CA 3.37Å; E717-N721 PolarHBondContact O-N 2.85Å; N718-N721 PolarHBondContact O-OD1 3.2Å
722E89.5Confident88.8Confident73 Ų7374.8 Ų74.834%0.34137%0.366SS..  trans-109.9154.7179.5-67.2-61.5160.600111.2Q693 E717 L720 Y726Q693-E722 PolarHBondContact NE2-OE1 2.91Å; E717-E722 WeakPolarHBondContact CB-O 3.38Å; E717-E722 PolarHBondContact O-N 2.92Å; L720-E722 VanDerWaalsContact C-N 3.33Å; L720-E722 HydrophobicContact CB-CB 4.36Å; L720-E722 HydrophobicContact CB-CG 3.95Å; E722-Y726 HydrophobicContact CB-CD1 3.75Å; E722-Y726 HydrophobicContact CB-CD2 4.01Å; E722-Y726 HydrophobicContact CB-CE1 4.36Å; E722-Y726 HydrophobicContact CB-CG 3.54Å; E722-Y726 HydrophobicContact CG-CD1 3.86Å; E722-Y726 HydrophobicContact CG-CD2 4Å; E722-Y726 HydrophobicContact CG-CE1 3.95Å; E722-Y726 HydrophobicContact CG-CE2 4.09Å; E722-Y726 HydrophobicContact CG-CG 3.88Å
723R85.6Confident88.6Confident217 Ų21768.9 Ų68.982%0.81934%0.337SS*.  trans-84148178.8-65.3-177.8-176.5171.91.6110.9Y726R723-Y726 WeakPolarHBondContact O-CB 3.26Å; R723-Y726 PolarHBondContact O-N 2.86Å; R723-Y726 VanDerWaalsContact O-N 3.1Å
724P84.8Confident88.5Confident98 Ų9867 Ų6764%0.63632%0.324SS*.THydrogen-bonded Turntrans-53.3143.1168-16.222.9000111.5E717E717-P724 WeakPolarHBondContact OE1-CA 3.42Å; E717-P724 VanDerWaalsContact OE2-CG 3.31Å; E717-P724 WeakPolarHBondContact OE2-CG 3.42Å
725P88.2Confident88.4Confident66 Ų6669.4 Ų69.443%0.42933%0.329SS..THydrogen-bonded Turncis-98.4377.639.4-36.1000113.8G727 R728 K729P725-G727 VanDerWaalsContact C-N 3.31Å; P725-G727 PolarHBondContact O-N 3.07Å; P725-R728 HydrophobicContact CB-CB 4.38Å; P725-R728 PolarHBondContact O-N 3.06Å; P725-R728 VanDerWaalsContact O-N 3.13Å; P725-K729 PolarHBondContact O-N 3.46Å; P725-K729 VanDerWaalsContact O-N 3.11Å
726Y87.4Confident88.1Confident41 Ų4165.6 Ų65.616%0.16132%0.318CS..Hα-helixtrans-59.1-39.6-175.1-168.1-81.2000113.1L688 L689 Q693 E717 L720 E722 R723 R728 K729 L730L688-Y726 PolarHBondContact O-OH 3.02Å; L689-Y726 HydrophobicContact CD2-CE1 4.07Å; L689-Y726 WeakPolarHBondContact CD2-OH 3.44Å; Q693-Y726 PolarHBondContact NE2-OH 3.28Å; Q693-Y726 PolarHBondContact OE1-OH 3.3Å; E717-Y726 PolarHBondContact OE1-N 3.07Å; L720-Y726 HydrophobicContact CD1-CD1 4.02Å; L720-Y726 HydrophobicContact CD1-CE1 3.66Å; E722-Y726 HydrophobicContact CB-CD1 3.75Å; E722-Y726 HydrophobicContact CB-CD2 4.01Å; E722-Y726 HydrophobicContact CB-CE1 4.36Å; E722-Y726 HydrophobicContact CB-CG 3.54Å; E722-Y726 HydrophobicContact CG-CD1 3.86Å; E722-Y726 HydrophobicContact CG-CD2 4Å; E722-Y726 HydrophobicContact CG-CE1 3.95Å; E722-Y726 HydrophobicContact CG-CE2 4.09Å; E722-Y726 HydrophobicContact CG-CG 3.88Å; R723-Y726 WeakPolarHBondContact O-CB 3.26Å; R723-Y726 PolarHBondContact O-N 2.86Å; R723-Y726 VanDerWaalsContact O-N 3.1Å; Y726-R728 VanDerWaalsContact C-N 3.29Å; Y726-R728 PolarHBondContact O-N 3.25Å; Y726-K729 PolarHBondContact O-N 2.98Å; Y726-L730 PolarHBondContact O-N 3.03Å; Y726-L730 VanDerWaalsContact O-N 3.07Å
727G87.8Confident87.8Confident0 Ų066 Ų660%032%0.321CS..Hα-helixtrans-64-35.9177.700000112.1E717 P725 L730 L731E717-G727 VanDerWaalsContact CG-N 3.33Å; E717-G727 PolarHBondContact OE1-N 2.97Å; P725-G727 VanDerWaalsContact C-N 3.31Å; P725-G727 PolarHBondContact O-N 3.07Å; G727-L730 PolarHBondContact O-N 2.83Å; G727-L731 WeakPolarHBondContact O-CG 3.01Å; G727-L731 PolarHBondContact O-N 3.16Å; G727-L731 VanDerWaalsContact O-N 3.16Å
728R89.5Confident87.5Confident146 Ų14665.3 Ų65.355%0.55132%0.318SS*.Hα-helixtrans-67.6-45.2175.6-172.8-178.1-72.6140.7-2111.6P725 Y726 L730 L731 E732P725-R728 HydrophobicContact CB-CB 4.38Å; P725-R728 PolarHBondContact O-N 3.06Å; P725-R728 VanDerWaalsContact O-N 3.13Å; Y726-R728 VanDerWaalsContact C-N 3.29Å; Y726-R728 PolarHBondContact O-N 3.25Å; R728-L730 VanDerWaalsContact C-N 3.27Å; R728-L730 PolarHBondContact O-N 2.87Å; R728-L731 WeakPolarHBondContact O-CB 3.49Å; R728-L731 PolarHBondContact O-N 3.26Å; R728-L731 VanDerWaalsContact O-N 3.1Å; R728-E732 WeakPolarHBondContact CG-OE1 3.49Å; R728-E732 WeakPolarHBondContact O-CG 3.18Å; R728-E732 PolarHBondContact O-N 3.18Å
729K89.5Confident87.4Confident109 Ų10963 Ų6347%0.47430%0.302SS..Hα-helixtrans-58.5-38.8175.9-69.6-174.4176.1-172.50112.5P725 Y726 E732 Y733P725-K729 PolarHBondContact O-N 3.46Å; P725-K729 VanDerWaalsContact O-N 3.11Å; Y726-K729 PolarHBondContact O-N 2.98Å; K729-E732 PolarHBondContact O-N 3.3Å; K729-Y733 PolarHBondContact O-N 3.16Å
730L89.3Confident87.3Confident2 Ų261.4 Ų61.41%0.0129%0.293CS..Hα-helixtrans-64.2-42.6175.217756.9000111.9L683 L689 L697 I708 L716 L720 Y726 G727 R728 Y733 L734L683-L730 HydrophobicContact CD2-CD1 4.29Å; L689-L730 HydrophobicContact CD1-CD1 3.53Å; L689-L730 HydrophobicContact CD1-CD2 4.45Å; L689-L730 HydrophobicContact CG-CD1 4.29Å; L697-L730 HydrophobicContact CD1-CD2 4.32Å; I708-L730 HydrophobicContact CG2-CD2 4.09Å; I708-L730 HydrophobicContact CG2-CG 4.36Å; L716-L730 HydrophobicContact CD1-CD2 4.38Å; L720-L730 HydrophobicContact CD1-CD2 4Å; Y726-L730 PolarHBondContact O-N 3.03Å; Y726-L730 VanDerWaalsContact O-N 3.07Å; G727-L730 PolarHBondContact O-N 2.83Å; R728-L730 VanDerWaalsContact C-N 3.27Å; R728-L730 PolarHBondContact O-N 2.87Å; L730-Y733 PolarHBondContact O-N 2.85Å; L730-L734 HydrophobicContact CD1-CD1 4.49Å; L730-L734 HydrophobicContact CD1-CG 4.45Å; L730-L734 HydrophobicContact CG-CD1 4.45Å; L730-L734 WeakPolarHBondContact O-CG 3.47Å; L730-L734 PolarHBondContact O-N 2.71Å
731L90.6Very high87.3Confident34 Ų3462.1 Ų62.118%0.17830%0.296CS..Hα-helixtrans-64.6-42.6175.9-67.4171.7000111.6L716 G727 R728 Y733 L734 D735L716-L731 HydrophobicContact CD1-CD1 4.46Å; L716-L731 HydrophobicContact CD1-CD2 3.99Å; L716-L731 HydrophobicContact CD1-CG 4.09Å; G727-L731 WeakPolarHBondContact O-CG 3.01Å; G727-L731 PolarHBondContact O-N 3.16Å; G727-L731 VanDerWaalsContact O-N 3.16Å; R728-L731 WeakPolarHBondContact O-CB 3.49Å; R728-L731 PolarHBondContact O-N 3.26Å; R728-L731 VanDerWaalsContact O-N 3.1Å; L731-Y733 VanDerWaalsContact C-N 3.34Å; L731-Y733 PolarHBondContact O-N 3.49Å; L731-L734 PolarHBondContact O-N 2.82Å; L731-D735 PolarHBondContact O-N 3.26Å
732E86.7Confident87.3Confident113 Ų11356 Ų5653%0.52826%0.264SS..Hα-helixtrans-58-44.1174.4-73.1167.2-17300111.7R728 K729 D735 S736R728-E732 WeakPolarHBondContact CG-OE1 3.49Å; R728-E732 WeakPolarHBondContact O-CG 3.18Å; R728-E732 PolarHBondContact O-N 3.18Å; K729-E732 PolarHBondContact O-N 3.3Å; E732-D735 PolarHBondContact O-N 3.21Å; E732-S736 PolarHBondContact O-N 3.5Å
733Y87.1Confident87.3Confident35 Ų3552.9 Ų52.914%0.13725%0.249CC..Hα-helixtrans-63.3-43.6174.5178.3-95.3000112.4N682 L683 S686 L688 K729 L730 L731 D735 S736 I737N682-Y733 PolarHBondContact O-OH 3.44Å; L683-Y733 HydrophobicContact CD2-CD1 3.88Å; L683-Y733 HydrophobicContact CD2-CE1 3.68Å; S686-Y733 VanDerWaalsContact CB-CZ 3.49Å; S686-Y733 WeakPolarHBondContact CB-OH 3.36Å; S686-Y733 WeakPolarHBondContact OG-CE2 3.37Å; L688-Y733 HydrophobicContact CD1-CD2 3.82Å; L688-Y733 HydrophobicContact CD1-CG 3.66Å; K729-Y733 PolarHBondContact O-N 3.16Å; L730-Y733 PolarHBondContact O-N 2.85Å; L731-Y733 VanDerWaalsContact C-N 3.34Å; L731-Y733 PolarHBondContact O-N 3.49Å; Y733-D735 PolarHBondContact O-N 2.77Å; Y733-S736 WeakPolarHBondContact O-CB 3.46Å; Y733-S736 PolarHBondContact O-N 2.8Å; Y733-S736 PolarHBondContact O-OG 3.22Å; Y733-I737 HydrophobicContact CE1-CD1 4.26Å
734L86.2Confident87.5Confident3 Ų342.6 Ų42.62%0.01621%0.211CC..Hα-helixtrans-64.3-29.5177.4-73.8175.1000112.7L683 C705 I708 Q709 L730 L731 S736 I737L683-L734 HydrophobicContact CD2-CD2 3.72Å; L683-L734 HydrophobicContact CD2-CG 4.5Å; C705-L734 HydrophobicContact CB-CD2 4.1Å; I708-L734 HydrophobicContact CB-CD1 3.7Å; I708-L734 HydrophobicContact CD1-CD1 4.45Å; I708-L734 HydrophobicContact CG2-CD1 3.36Å; Q709-L734 HydrophobicContact CG-CB 4.06Å; Q709-L734 HydrophobicContact CG-CD1 4.2Å; Q709-L734 PolarHBondContact NE2-O 2.76Å; L730-L734 HydrophobicContact CD1-CD1 4.49Å; L730-L734 HydrophobicContact CD1-CG 4.45Å; L730-L734 HydrophobicContact CG-CD1 4.45Å; L730-L734 WeakPolarHBondContact O-CG 3.47Å; L730-L734 PolarHBondContact O-N 2.71Å; L731-L734 PolarHBondContact O-N 2.82Å; L734-S736 VanDerWaalsContact C-N 3.3Å; L734-I737 HydrophobicContact CD2-CD1 3.8Å; L734-I737 PolarHBondContact O-N 2.82Å
735D85.5Confident87.6Confident81 Ų8139.5 Ų39.543%0.43319%0.187SC..Hα-helixtrans-74.9-19.2173.5-77.1-28.3000113.6Q709 L731 E732 Y733 I737 K739 N765Q709-D735 PolarHBondContact NE2-OD1 2.85Å; L731-D735 PolarHBondContact O-N 3.26Å; E732-D735 PolarHBondContact O-N 3.21Å; Y733-D735 PolarHBondContact O-N 2.77Å; D735-I737 VanDerWaalsContact C-N 3.32Å; D735-K739 IonicContact OD1-NZ 2.66Å; D735-K739 PolarHBondContact OD1-NZ 2.86Å; D735-N765 PolarHBondContact O-ND2 2.6Å
736S83.4Confident87.5Confident46 Ų4636.6 Ų36.632%0.32217%0.168SC..Hα-helixtrans-75.9-14.6171.380.10000114.1E732 Y733 L734 C767E732-S736 PolarHBondContact O-N 3.5Å; Y733-S736 WeakPolarHBondContact O-CB 3.46Å; Y733-S736 PolarHBondContact O-N 2.8Å; Y733-S736 PolarHBondContact O-OG 3.22Å; L734-S736 VanDerWaalsContact C-N 3.3Å; S736-C767 VanDerWaalsContact O-CB 3.31Å; S736-C767 WeakPolarHBondContact O-CB 3.41Å; S736-C767 PolarHBondContact O-SG 3.39Å
737I85Confident87.3Confident10 Ų1037.6 Ų37.65%0.05117%0.173CC..SBendtrans-77.8131.6-180-63.2174.3000110N682 Y733 L734 D735 K739 N765 Y823 V826N682-I737 HydrophobicContact CB-CD1 3.76Å; Y733-I737 HydrophobicContact CE1-CD1 4.26Å; L734-I737 HydrophobicContact CD2-CD1 3.8Å; L734-I737 PolarHBondContact O-N 2.82Å; D735-I737 VanDerWaalsContact C-N 3.32Å; I737-K739 PolarHBondContact O-N 2.91Å; I737-N765 VanDerWaalsContact C-ND2 3.32Å; I737-N765 PolarHBondContact O-ND2 2.75Å; I737-Y823 HydrophobicContact CG1-CD1 4.49Å; I737-Y823 HydrophobicContact CG1-CE1 4.42Å; I737-Y823 HydrophobicContact CG2-CD1 4.23Å; I737-V826 HydrophobicContact CG2-CG1 3.63Å
738P85.6Confident86.2Confident2 Ų239.7 Ų39.71%0.01319%0.188CC..  trans-61.4136.2-172.424.9-35000113.2Y740 N765 D769 Y823 V826P738-Y740 HydrophobicContact CB-CD2 4.44Å; P738-Y740 HydrophobicContact CB-CE1 4.43Å; P738-Y740 HydrophobicContact CB-CE2 3.76Å; P738-Y740 HydrophobicContact CG-CE2 4.01Å; P738-N765 WeakPolarHBondContact CA-OD1 3.38Å; P738-D769 HydrophobicContact CB-CB 4.45Å; P738-D769 HydrophobicContact CG-CB 4.33Å; P738-D769 WeakPolarHBondContact CG-OD2 3.21Å; P738-Y823 VanDerWaalsContact CD-CD2 3.47Å; P738-Y823 HydrophobicContact CG-CD2 3.46Å; P738-Y823 VanDerWaalsContact CG-CD2 3.46Å; P738-Y823 HydrophobicContact CG-CE2 3.9Å; P738-Y823 HydrophobicContact CG-CG 3.83Å; P738-V826 HydrophobicContact CG-CG2 4.41Å; P738-V826 WeakPolarHBondContact O-CG1 3.48Å
739K86.7Confident84.8Confident77 Ų7735.2 Ų35.234%0.33519%0.187SC..  trans-114.996.1179.3-65.7175.8-172.2170.60109.8D735 I737 Q763 K764 N765D735-K739 IonicContact OD1-NZ 2.66Å; D735-K739 PolarHBondContact OD1-NZ 2.86Å; I737-K739 PolarHBondContact O-N 2.91Å; K739-Q763 WeakPolarHBondContact O-CA 3.38Å; K739-K764 HydrophobicContact CB-CB 4.17Å; K739-K764 PolarHBondContact O-N 2.76Å; K739-N765 PolarHBondContact N-OD1 3.44Å
740Y87.2Confident83.1Confident7 Ų733.8 Ų33.83%0.02718%0.179CC..EExtended strand (participates in β ladder)trans-88.3145.3-177.8-63-63000113.8P738 I761 T762 Q763 D769 A771 Y790 L818 V826P738-Y740 HydrophobicContact CB-CD2 4.44Å; P738-Y740 HydrophobicContact CB-CE1 4.43Å; P738-Y740 HydrophobicContact CB-CE2 3.76Å; P738-Y740 HydrophobicContact CG-CE2 4.01Å; Y740-I761 HydrophobicContact CD1-CG2 4.46Å; Y740-T762 CarbonylContact C-O 3.58Å; Y740-T762 WeakPolarHBondContact CA-O 3.43Å; Y740-Q763 HydrophobicContact CD1-CB 4.16Å; Y740-Q763 HydrophobicContact CD1-CG 4.4Å; Y740-Q763 HydrophobicContact CE1-CB 4.13Å; Y740-Q763 HydrophobicContact CE1-CG 4.17Å; Y740-D769 WeakPolarHBondContact OH-CB 3.26Å; Y740-D769 VanDerWaalsContact OH-CG 3.26Å; Y740-D769 PolarHBondContact OH-OD2 2.94Å; Y740-A771 HydrophobicContact CE1-CB 4.47Å; Y740-A771 HydrophobicContact CE2-CB 4.49Å; Y740-Y790 HydrophobicContact CE1-CD2 4.15Å; Y740-Y790 HydrophobicContact CE1-CE1 4.48Å; Y740-Y790 AromaticContact CE1-CE2 3.57Å; Y740-Y790 HydrophobicContact CE1-CE2 3.57Å; Y740-Y790 AromaticContact CE1-CZ 3.76Å; Y740-L818 HydrophobicContact CD1-CD2 4.11Å; Y740-L818 HydrophobicContact CD2-CD2 4.33Å; Y740-L818 HydrophobicContact CG-CD2 3.77Å; Y740-V826 HydrophobicContact CE2-CG2 4.35Å
741E88.7Confident81.7Confident14 Ų1439 Ų397%0.06521%0.208CC..EExtended strand (participates in β ladder)trans-128.1144.6163.1-64-170.814600110I761 T762 K764 T964E741-I761 CarbonylContact O-C 3.48Å; E741-I761 WeakPolarHBondContact O-CA 3.49Å; E741-T762 PolarHBondContact N-O 3.07Å; E741-T762 PolarHBondContact O-N 3.29Å; E741-K764 WeakPolarHBondContact OE1-CE 3.22Å; E741-K764 IonicContact OE1-NZ 2.95Å; E741-K764 PolarHBondContact OE1-NZ 2.77Å; E741-K764 WeakPolarHBondContact OE2-CE 3.39Å; E741-K764 IonicContact OE2-NZ 2.57Å; E741-T964 VanDerWaalsContact OE1-CG2 3.25Å; E741-T964 WeakPolarHBondContact OE1-CG2 3.3Å
742L89Confident80.4Confident2 Ų242 Ų421%0.0123%0.231CC..EExtended strand (participates in β ladder)trans-126.4123.4-179.5176.166.6000110.2V744 I761 L773 I816 L828 T830 W963L742-V744 HydrophobicContact CG-CG2 4.31Å; L742-I761 HydrophobicContact CD1-CD1 4.49Å; L742-I761 HydrophobicContact CD1-CG1 3.79Å; L742-L773 HydrophobicContact CD1-CD1 4.42Å; L742-I816 HydrophobicContact CD2-CG2 3.7Å; L742-L828 HydrophobicContact CB-CD1 4.11Å; L742-T830 HydrophobicContact CD2-CG2 4.05Å; L742-W963 PolarHBondContact O-N 2.83Å
743E90.1Very high79.7Confident8 Ų840.5 Ų40.54%0.03723%0.23CC..EExtended strand (participates in β ladder)trans-115.2139.1171.8-50.7178.1-176.600110.1F759 T760 K960 F961 R962E743-F759 CarbonylContact O-C 3.58Å; E743-F759 WeakPolarHBondContact O-CA 3.42Å; E743-T760 PolarHBondContact N-O 2.8Å; E743-T760 PolarHBondContact O-N 2.77Å; E743-K960 WeakPolarHBondContact OE2-CE 3.26Å; E743-K960 IonicContact OE2-NZ 3.38Å; E743-K960 PolarHBondContact OE2-NZ 2.91Å; E743-F961 CarbonylContact C-O 3.55Å; E743-F961 WeakPolarHBondContact CA-O 3.43Å; E743-R962 HydrophobicContact CG-CB 3.98Å; E743-R962 HydrophobicContact CG-CG 3.96Å; E743-R962 IonicContact OE1-CZ 2.67Å; E743-R962 IonicContact OE1-NE 3.56Å; E743-R962 PolarHBondContact OE1-NE 2.97Å; E743-R962 IonicContact OE1-NH2 2.65Å; E743-R962 PolarHBondContact OE1-NH2 3.33Å
744V89.5Confident79.2Confident1 Ų142 Ų421%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-127.1123.6178.2-171.20000108.8L742 M758 F759 I816 Y832 F961L742-V744 HydrophobicContact CG-CG2 4.31Å; V744-M758 CarbonylContact C-O 3.56Å; V744-M758 WeakPolarHBondContact CA-O 3.47Å; V744-F759 HydrophobicContact CG1-CD1 4.25Å; V744-F759 HydrophobicContact CG1-CE1 4.03Å; V744-F759 HydrophobicContact CG1-CZ 4.46Å; V744-F759 HydrophobicContact CG2-CD1 3.86Å; V744-F759 HydrophobicContact CG2-CE1 4.11Å; V744-I816 HydrophobicContact CG1-CD1 4.5Å; V744-I816 HydrophobicContact CG2-CD1 3.88Å; V744-Y832 HydrophobicContact CB-CD2 3.89Å; V744-Y832 HydrophobicContact CB-CE2 3.91Å; V744-Y832 HydrophobicContact CG1-CD1 4.16Å; V744-Y832 HydrophobicContact CG1-CD2 3.76Å; V744-Y832 HydrophobicContact CG1-CE1 4.12Å; V744-Y832 HydrophobicContact CG1-CE2 3.7Å; V744-Y832 HydrophobicContact CG1-CG 3.98Å; V744-F961 PolarHBondContact N-O 3.01Å; V744-F961 PolarHBondContact O-N 3.11Å
745E87.3Confident79Confident32 Ų3242.3 Ų42.315%0.1524%0.242CC..EExtended strand (participates in β ladder)trans-126.5132.3-176.7-175.1-179.1154.300110.8L757 M758 P958 Y959 K960E745-L757 CarbonylContact O-C 3.6Å; E745-L757 WeakPolarHBondContact O-CA 3.39Å; E745-M758 HydrophobicContact CB-CB 4.45Å; E745-M758 HydrophobicContact CB-CE 4.22Å; E745-M758 HydrophobicContact CG-CE 4.4Å; E745-M758 PolarHBondContact N-O 2.69Å; E745-M758 PolarHBondContact O-N 2.87Å; E745-M758 VanDerWaalsContact OE2-CE 3.27Å; E745-M758 WeakPolarHBondContact OE2-CE 3.42Å; E745-P958 HydrophobicContact CG-CB 4.04Å; E745-P958 WeakPolarHBondContact OE1-CB 3.37Å; E745-P958 WeakPolarHBondContact OE1-CG 3.35Å; E745-Y959 WeakPolarHBondContact CA-O 3.29Å; E745-K960 HydrophobicContact CB-CG 4.46Å; E745-K960 HydrophobicContact CG-CB 4.21Å
746Q86.6Confident79.1Confident5 Ų541.8 Ų41.82%0.02324%0.237CC..EExtended strand (participates in β ladder)trans-92.9118.7170.7-178.2175.4-11.100109.2I755 L757 I835 Y959Q746-I755 HydrophobicContact CG-CG2 4.01Å; Q746-L757 HydrophobicContact CB-CD2 3.79Å; Q746-L757 HydrophobicContact CG-CD2 4.05Å; Q746-I835 PolarHBondContact NE2-O 2.8Å; Q746-Y959 PolarHBondContact N-O 3.49Å; Q746-Y959 VanDerWaalsContact N-O 3.09Å; Q746-Y959 PolarHBondContact O-N 2.82Å
747K81.7Confident79.4Confident62 Ų6239.6 Ų39.627%0.2722%0.222SC..  trans-69.5145.5-178.6-72.9-173.8176.7177.80111.9G749 Q756K747-G749 VanDerWaalsContact C-N 3.34Å; K747-G749 PolarHBondContact O-N 2.76Å; K747-Q756 HydrophobicContact CB-CB 4.19Å; K747-Q756 HydrophobicContact CD-CB 4.5Å; K747-Q756 PolarHBondContact N-O 2.81Å
748S65Low79.6Confident44 Ų4440.7 Ų40.731%0.30823%0.227SC..SBendtrans-86.530.3-173.239.90000115.9K956S748-K956 PolarHBondContact OG-O 3.37Å; S748-K956 VanDerWaalsContact OG-O 3.13Å
749G59.4Low80Confident52 Ų5240.6 Ų40.654%0.53623%0.226SC..  trans-114.898.217400000111K747K747-G749 VanDerWaalsContact C-N 3.34Å; K747-G749 PolarHBondContact O-N 2.76Å
750Y55.2Low80.3Confident79 Ų7937.9 Ų37.931%0.3122%0.216SC..  trans-93.8109.8-170-57.8-76.9000112.5L837Y750-L837 HydrophobicContact CD1-CD1 3.59Å; Y750-L837 HydrophobicContact CD1-CG 4.44Å; Y750-L837 HydrophobicContact CE1-CD1 4.47Å; Y750-L837 HydrophobicContact CG-CD1 3.88Å
751D58.9Low80.5Confident113 Ų11337.5 Ų37.560%0.60422%0.215SC*.  trans-84.4140.4148.3-90.9-25.2000108.5T753 N754D751-T753 PolarHBondContact O-N 2.77Å; D751-N754 PolarHBondContact O-N 2.85Å
752S63.2Low80.5Confident96 Ų9637.7 Ų37.767%0.67122%0.216SC*.SBendtrans-59.6-19.617949.70000113.2N807S752-N807 PolarHBondContact O-ND2 3.41Å; S752-N807 VanDerWaalsContact O-ND2 3.11Å
753T71.7Confident80.4Confident81 Ų8137.7 Ų37.750%0.49722%0.216SC..SBendtrans-93.8-34.1-173.149.50000113.4D751 N807D751-T753 PolarHBondContact O-N 2.77Å; T753-N807 WeakPolarHBondContact O-CB 3.46Å; T753-N807 PolarHBondContact O-N 2.85Å
754N77.8Confident80.2Confident68 Ų6842.3 Ų42.336%0.36424%0.237SC..EExtended strand (participates in β ladder)trans-130.9147.6-168.4-65.6-21.4000113.2D751 L805D751-N754 PolarHBondContact O-N 2.85Å; N754-L805 CarbonylContact C-O 3.59Å; N754-L805 VanDerWaalsContact CA-O 3.23Å; N754-L805 WeakPolarHBondContact CA-O 3.35Å
755I82.7Confident79.8Confident9 Ų943.2 Ų43.25%0.04624%0.241CC..EExtended strand (participates in β ladder)trans-117.4126.9177.2-61.2176.3000108.7Q746 L757 E804 L805 N807 F834Q746-I755 HydrophobicContact CG-CG2 4.01Å; I755-L757 HydrophobicContact CG2-CD2 4.02Å; I755-L757 HydrophobicContact CG2-CG 4.35Å; I755-E804 CarbonylContact O-C 3.55Å; I755-E804 WeakPolarHBondContact O-CA 3.32Å; I755-L805 HydrophobicContact CB-CB 4.44Å; I755-L805 HydrophobicContact CB-CD1 4.4Å; I755-L805 HydrophobicContact CG2-CD1 4.34Å; I755-L805 PolarHBondContact N-O 2.81Å; I755-L805 PolarHBondContact O-N 2.71Å; I755-N807 HydrophobicContact CD1-CB 4.11Å; I755-N807 HydrophobicContact CG1-CB 4.02Å; I755-F834 HydrophobicContact CD1-CB 4.5Å; I755-F834 HydrophobicContact CD1-CD2 3.16Å; I755-F834 HydrophobicContact CD1-CE2 3.4Å; I755-F834 VanDerWaalsContact CD1-CE2 3.4Å; I755-F834 HydrophobicContact CD1-CG 3.99Å; I755-F834 HydrophobicContact CD1-CZ 4.38Å; I755-F834 HydrophobicContact CG2-CB 4.47Å
756Q86Confident79.3Confident69 Ų6945.5 Ų45.532%0.32225%0.254SS..EExtended strand (participates in β ladder)trans-98.5120.9174.7-66-174.6-11.600110.9K747 E804K747-Q756 HydrophobicContact CB-CB 4.19Å; K747-Q756 HydrophobicContact CD-CB 4.5Å; K747-Q756 PolarHBondContact N-O 2.81Å; Q756-E804 HydrophobicContact CG-CG 4.07Å; Q756-E804 PolarHBondContact NE2-OE1 2.98Å
757L89.4Confident78.9Confident1 Ų145.7 Ų45.71%0.00526%0.256CS..EExtended strand (participates in β ladder)trans-110.1142.5172.8-61.3-172.5000111.1E745 Q746 I755 F759 Q802 M803 L805 L814 Y832E745-L757 CarbonylContact O-C 3.6Å; E745-L757 WeakPolarHBondContact O-CA 3.39Å; Q746-L757 HydrophobicContact CB-CD2 3.79Å; Q746-L757 HydrophobicContact CG-CD2 4.05Å; I755-L757 HydrophobicContact CG2-CD2 4.02Å; I755-L757 HydrophobicContact CG2-CG 4.35Å; L757-F759 HydrophobicContact CB-CE2 3.91Å; L757-F759 HydrophobicContact CB-CZ 4.25Å; L757-F759 HydrophobicContact CD1-CZ 4.26Å; L757-Q802 CarbonylContact O-C 3.54Å; L757-Q802 WeakPolarHBondContact O-CA 3.43Å; L757-M803 HydrophobicContact CD1-CE 4.49Å; L757-M803 PolarHBondContact N-O 2.98Å; L757-M803 PolarHBondContact O-N 2.81Å; L757-L805 HydrophobicContact CD1-CD1 3.61Å; L757-L805 HydrophobicContact CG-CD1 3.87Å; L757-L814 HydrophobicContact CD1-CD1 3.38Å; L757-Y832 HydrophobicContact CD1-CD1 4.17Å; L757-Y832 HydrophobicContact CD1-CE1 4.04Å; L757-Y832 HydrophobicContact CD2-CE1 3.73Å
758M91Very high78.8Confident32 Ų3245.2 Ų45.216%0.15825%0.254CS..EExtended strand (participates in β ladder)trans-121.2124.3175.9-175.7168.666.900109.5V744 E745 R801 Q802V744-M758 CarbonylContact C-O 3.56Å; V744-M758 WeakPolarHBondContact CA-O 3.47Å; E745-M758 HydrophobicContact CB-CB 4.45Å; E745-M758 HydrophobicContact CB-CE 4.22Å; E745-M758 HydrophobicContact CG-CE 4.4Å; E745-M758 PolarHBondContact N-O 2.69Å; E745-M758 PolarHBondContact O-N 2.87Å; E745-M758 VanDerWaalsContact OE2-CE 3.27Å; E745-M758 WeakPolarHBondContact OE2-CE 3.42Å; M758-R801 CarbonylContact C-O 3.56Å; M758-R801 WeakPolarHBondContact CA-O 3.11Å; M758-Q802 HydrophobicContact CB-CG 4.24Å; M758-Q802 HydrophobicContact CG-CG 4.02Å
759F92.8Very high79.7Confident0 Ų043.4 Ų43.40%024%0.241CC..EExtended strand (participates in β ladder)trans-104.4124.7176.9-56.8-98.3000107.9E743 V744 L757 I761 L773 V775 W786 T800 R801 M803 I816E743-F759 CarbonylContact O-C 3.58Å; E743-F759 WeakPolarHBondContact O-CA 3.42Å; V744-F759 HydrophobicContact CG1-CD1 4.25Å; V744-F759 HydrophobicContact CG1-CE1 4.03Å; V744-F759 HydrophobicContact CG1-CZ 4.46Å; V744-F759 HydrophobicContact CG2-CD1 3.86Å; V744-F759 HydrophobicContact CG2-CE1 4.11Å; L757-F759 HydrophobicContact CB-CE2 3.91Å; L757-F759 HydrophobicContact CB-CZ 4.25Å; L757-F759 HydrophobicContact CD1-CZ 4.26Å; F759-I761 HydrophobicContact CB-CD1 4.15Å; F759-L773 HydrophobicContact CB-CD2 4.14Å; F759-L773 HydrophobicContact CD1-CD2 4.32Å; F759-L773 HydrophobicContact CG-CD2 4.24Å; F759-V775 HydrophobicContact CE1-CG2 3.98Å; F759-V775 HydrophobicContact CZ-CG2 3.95Å; F759-W786 HydrophobicContact CD2-CH2 4.26Å; F759-W786 HydrophobicContact CD2-CZ3 4.48Å; F759-W786 HydrophobicContact CE2-CH2 4.13Å; F759-W786 HydrophobicContact CE2-CZ3 4.44Å; F759-T800 CarbonylContact O-C 3.6Å; F759-T800 VanDerWaalsContact O-CA 3.27Å; F759-T800 WeakPolarHBondContact O-CA 3.36Å; F759-R801 HydrophobicContact CB-CB 4.44Å; F759-R801 PolarHBondContact N-O 2.78Å; F759-R801 PolarHBondContact O-N 3.22Å; F759-M803 HydrophobicContact CE2-CB 4.14Å; F759-M803 HydrophobicContact CE2-CE 3.61Å; F759-M803 HydrophobicContact CZ-CE 3.55Å; F759-I816 HydrophobicContact CE1-CD1 3.71Å; F759-I816 HydrophobicContact CE1-CG1 4.13Å; F759-I816 HydrophobicContact CE1-CG2 4.32Å
760T92.7Very high81Confident20 Ų2041.4 Ų41.412%0.12322%0.219CC..EExtended strand (participates in β ladder)trans-115.5116.4174.3-52.30000108.1E743 V798 T800E743-T760 PolarHBondContact N-O 2.8Å; E743-T760 PolarHBondContact O-N 2.77Å; T760-V798 HydrophobicContact CG2-CG1 3.62Å; T760-T800 HydrophobicContact CG2-CG2 3.95Å
761I91.7Very high82.6Confident0 Ų037.7 Ų37.70%020%0.204CC..EExtended strand (participates in β ladder)trans-111119.5-178.1-51.889.4000107.9Y740 E741 L742 F759 L773 L788 Y790 V798 I799 L818Y740-I761 HydrophobicContact CD1-CG2 4.46Å; E741-I761 CarbonylContact O-C 3.48Å; E741-I761 WeakPolarHBondContact O-CA 3.49Å; L742-I761 HydrophobicContact CD1-CD1 4.49Å; L742-I761 HydrophobicContact CD1-CG1 3.79Å; F759-I761 HydrophobicContact CB-CD1 4.15Å; I761-L773 HydrophobicContact CD1-CD2 3.95Å; I761-L773 HydrophobicContact CG1-CD2 4.49Å; I761-L788 HydrophobicContact CB-CD1 4.2Å; I761-L788 HydrophobicContact CD1-CD1 4.05Å; I761-L788 HydrophobicContact CG1-CD1 3.91Å; I761-L788 HydrophobicContact CG2-CD1 4.15Å; I761-Y790 WeakPolarHBondContact CG2-OH 3.27Å; I761-V798 CarbonylContact O-C 3.56Å; I761-V798 WeakPolarHBondContact O-CA 3.27Å; I761-I799 WeakPolarHBondContact CD1-O 3.12Å; I761-I799 PolarHBondContact N-O 3.36Å; I761-I799 PolarHBondContact O-N 3.09Å; I761-L818 HydrophobicContact CG2-CD1 4.24Å; I761-L818 HydrophobicContact CG2-CD2 3.63Å
762T89.6Confident84.1Confident17 Ų1732.5 Ų32.510%0.10418%0.177CC..EExtended strand (participates in β ladder)trans-114.4123.5-177.1-58.20000109.3Y740 E741 T796 S797 V798Y740-T762 CarbonylContact C-O 3.58Å; Y740-T762 WeakPolarHBondContact CA-O 3.43Å; E741-T762 PolarHBondContact N-O 3.07Å; E741-T762 PolarHBondContact O-N 3.29Å; T762-T796 HydrophobicContact CG2-CG2 3.32Å; T762-S797 CarbonylContact C-O 3.6Å; T762-S797 WeakPolarHBondContact CA-O 3.38Å; T762-V798 HydrophobicContact CG2-CG2 4.08Å
763Q87.4Confident85.6Confident2 Ų227.9 Ų27.91%0.00915%0.145CC..EExtended strand (participates in β ladder)trans-100.6114.5168.5-176.8-177.7-37.400109K739 Y740 N765 C767 Y790 T796 S797K739-Q763 WeakPolarHBondContact O-CA 3.38Å; Y740-Q763 HydrophobicContact CD1-CB 4.16Å; Y740-Q763 HydrophobicContact CD1-CG 4.4Å; Y740-Q763 HydrophobicContact CE1-CB 4.13Å; Y740-Q763 HydrophobicContact CE1-CG 4.17Å; Q763-N765 WeakPolarHBondContact CG-O 3.3Å; Q763-N765 PolarHBondContact NE2-O 2.76Å; Q763-N765 PolarHBondContact O-N 3.07Å; Q763-C767 PolarHBondContact NE2-O 3.19Å; Q763-Y790 HydrophobicContact CB-CD1 3.98Å; Q763-Y790 HydrophobicContact CB-CE1 3.82Å; Q763-T796 WeakPolarHBondContact O-CA 3.35Å; Q763-T796 WeakPolarHBondContact O-CG2 3.49Å; Q763-S797 PolarHBondContact N-O 2.99Å; Q763-S797 PolarHBondContact O-N 2.57Å; Q763-S797 VanDerWaalsContact O-N 3.08Å
764K84.8Confident86.6Confident106 Ų10624 Ų2446%0.46112%0.121SC..  trans-74.6-24.3-171-75.3-173.4169.3170.70115K739 E741 T796K739-K764 HydrophobicContact CB-CB 4.17Å; K739-K764 PolarHBondContact O-N 2.76Å; E741-K764 WeakPolarHBondContact OE1-CE 3.22Å; E741-K764 IonicContact OE1-NZ 2.95Å; E741-K764 PolarHBondContact OE1-NZ 2.77Å; E741-K764 WeakPolarHBondContact OE2-CE 3.39Å; E741-K764 IonicContact OE2-NZ 2.57Å; K764-T796 PolarHBondContact O-OG1 2.6Å
765N82.1Confident87.2Confident19 Ų1920.8 Ų20.810%0.10210%0.104CC..SBendtrans-118.9153.8-174.763.4-36.7000111.9D735 I737 P738 K739 Q763 C767D735-N765 PolarHBondContact O-ND2 2.6Å; I737-N765 VanDerWaalsContact C-ND2 3.32Å; I737-N765 PolarHBondContact O-ND2 2.75Å; P738-N765 WeakPolarHBondContact CA-OD1 3.38Å; K739-N765 PolarHBondContact N-OD1 3.44Å; Q763-N765 WeakPolarHBondContact CG-O 3.3Å; Q763-N765 PolarHBondContact NE2-O 2.76Å; Q763-N765 PolarHBondContact O-N 3.07Å; N765-C767 PolarHBondContact O-N 3.41Å; N765-C767 VanDerWaalsContact O-N 3.14Å
766N76Confident87.6Confident80 Ų8020.4 Ų20.443%0.42810%0.101SC..  trans-74.8101.8176.8-170.17.8000109.4N792 S793N766-N792 WeakPolarHBondContact OD1-CA 3.31Å; N766-S793 PolarHBondContact OD1-O 3.05Å
767C77.8Confident87.7Confident9 Ų917.1 Ų17.16%0.0619%0.086CC..  trans-150.7132.1179.1173.90000108.9S736 Q763 N765 D769S736-C767 VanDerWaalsContact O-CB 3.31Å; S736-C767 WeakPolarHBondContact O-CB 3.41Å; S736-C767 PolarHBondContact O-SG 3.39Å; Q763-C767 PolarHBondContact NE2-O 3.19Å; N765-C767 PolarHBondContact O-N 3.41Å; N765-C767 VanDerWaalsContact O-N 3.14Å; C767-D769 PolarHBondContact O-N 2.66Å
768K80.6Confident87.4Confident52 Ų5219.3 Ų19.323%0.22611%0.105CC..  trans-73.6114.8170-173.4177.9174.8-173.20108.8Y790 N792 F1083 C1103K768-Y790 VanDerWaalsContact CA-O 3.31Å; K768-Y790 WeakPolarHBondContact CA-O 3.28Å; K768-N792 WeakPolarHBondContact CB-OD1 3.47Å; K768-N792 PolarHBondContact N-OD1 3.08Å; K768-F1083 HydrophobicContact CD-CE1 4.24Å; K768-F1083 HydrophobicContact CD-CZ 4.3Å; K768-C1103 VanDerWaalsContact CE-CB 3.43Å; K768-C1103 PolarHBondContact NZ-O 2.97Å
769D83.6Confident87.1Confident6 Ų623.2 Ų23.23%0.03212%0.121CC..EExtended strand (participates in β ladder)trans-146.6164.9175-165.923.1000111.3P738 Y740 C767 Y790 S820 N822 Y823P738-D769 HydrophobicContact CB-CB 4.45Å; P738-D769 HydrophobicContact CG-CB 4.33Å; P738-D769 WeakPolarHBondContact CG-OD2 3.21Å; Y740-D769 WeakPolarHBondContact OH-CB 3.26Å; Y740-D769 VanDerWaalsContact OH-CG 3.26Å; Y740-D769 PolarHBondContact OH-OD2 2.94Å; C767-D769 PolarHBondContact O-N 2.66Å; D769-Y790 PolarHBondContact N-O 2.85Å; D769-Y790 PolarHBondContact O-N 2.77Å; D769-S820 PolarHBondContact OD1-OG 3.15Å; D769-S820 WeakPolarHBondContact OD2-CB 3Å; D769-S820 PolarHBondContact OD2-OG 3.27Å; D769-N822 WeakPolarHBondContact OD1-CB 3.37Å; D769-N822 PolarHBondContact OD1-ND2 3.24Å; D769-Y823 HydrophobicContact CB-CD2 4.4Å; D769-Y823 HydrophobicContact CB-CE2 4.17Å
770C86.5Confident86.7Confident11 Ų1127.5 Ų27.57%0.07414%0.139CC..EExtended strand (participates in β ladder)trans-124.7125.7172.7-1750000108L787 L788 V821C770-L787 WeakPolarHBondContact SG-CD1 3.37Å; C770-L787 VanDerWaalsContact SG-CD2 3.56Å; C770-L787 VanDerWaalsContact SG-CG 3.52Å; C770-L788 CarbonylContact C-O 3.59Å; C770-L788 WeakPolarHBondContact CA-O 2.96Å; C770-V821 HydrophobicContact CB-CB 4.27Å; C770-V821 HydrophobicContact CB-CG2 4.37Å; C770-V821 VanDerWaalsContact O-CB 3.26Å; C770-V821 WeakPolarHBondContact O-CB 3.42Å; C770-V821 WeakPolarHBondContact O-CG2 3.42Å; C770-V821 PolarHBondContact O-N 3.5Å
771A88.7Confident86.5Confident0 Ų030.4 Ų30.40%015%0.149CC..EExtended strand (participates in β ladder)trans-124.6147.4179.900000111.8Y740 L788 Y790 L818 I819Y740-A771 HydrophobicContact CE1-CB 4.47Å; Y740-A771 HydrophobicContact CE2-CB 4.49Å; A771-L788 HydrophobicContact CB-CB 4.42Å; A771-L788 PolarHBondContact N-O 3.04Å; A771-L788 WeakPolarHBondContact O-CB 3.44Å; A771-L788 PolarHBondContact O-N 3.34Å; A771-Y790 HydrophobicContact CB-CE2 4.14Å; A771-L818 HydrophobicContact CB-CD1 3.9Å; A771-I819 CarbonylContact C-O 3.58Å; A771-I819 VanDerWaalsContact CA-O 3.3Å; A771-I819 WeakPolarHBondContact CA-O 3.06Å
772V90.7Very high86.3Confident4 Ų430.6 Ų30.62%0.02415%0.15CC..EExtended strand (participates in β ladder)trans-106.4121.5177-178.90000108.9W628 L664 L774 W786 L787 L818 I819 V821W628-V772 HydrophobicContact CH2-CG1 3.88Å; W628-V772 HydrophobicContact CH2-CG2 4.28Å; W628-V772 HydrophobicContact CZ3-CG1 3.64Å; W628-V772 HydrophobicContact CZ3-CG2 4.13Å; L664-V772 HydrophobicContact CD1-CG1 4.4Å; V772-L774 HydrophobicContact CG1-CD1 4.48Å; V772-L774 HydrophobicContact CG1-CD2 3.48Å; V772-L774 VanDerWaalsContact CG1-CD2 3.48Å; V772-L774 HydrophobicContact CG1-CG 3.74Å; V772-W786 CarbonylContact C-O 3.54Å; V772-W786 WeakPolarHBondContact CA-O 3.39Å; V772-L787 HydrophobicContact CG2-CD1 3.69Å; V772-L818 CarbonylContact O-C 3.38Å; V772-L818 WeakPolarHBondContact O-CA 3.39Å; V772-I819 PolarHBondContact N-O 2.8Å; V772-I819 PolarHBondContact O-N 3.16Å; V772-V821 HydrophobicContact CG2-CG2 3.94Å
773L93.8Very high86.3Confident0 Ų030 Ų300%015%0.146CC..EExtended strand (participates in β ladder)trans-97.2112.8169.4179.365.6000109.7L742 F759 I761 K785 W786 L788 I816 S817 L818L742-L773 HydrophobicContact CD1-CD1 4.42Å; F759-L773 HydrophobicContact CB-CD2 4.14Å; F759-L773 HydrophobicContact CD1-CD2 4.32Å; F759-L773 HydrophobicContact CG-CD2 4.24Å; I761-L773 HydrophobicContact CD1-CD2 3.95Å; I761-L773 HydrophobicContact CG1-CD2 4.49Å; L773-K785 CarbonylContact O-C 3.5Å; L773-K785 VanDerWaalsContact O-CA 3.25Å; L773-K785 WeakPolarHBondContact O-CA 3.34Å; L773-W786 HydrophobicContact CB-CB 4.37Å; L773-W786 HydrophobicContact CB-CE3 4.25Å; L773-W786 HydrophobicContact CD2-CD2 4.45Å; L773-W786 HydrophobicContact CD2-CE3 3.61Å; L773-W786 HydrophobicContact CD2-CZ3 3.96Å; L773-W786 HydrophobicContact CG-CE3 3.88Å; L773-W786 HydrophobicContact CG-CZ3 4.33Å; L773-W786 PolarHBondContact N-O 2.78Å; L773-W786 PolarHBondContact O-N 3.27Å; L773-L788 HydrophobicContact CB-CD1 4.13Å; L773-I816 HydrophobicContact CD1-CG2 3.64Å; L773-S817 CarbonylContact C-O 3.48Å; L773-S817 WeakPolarHBondContact CA-O 3.23Å; L773-L818 HydrophobicContact CB-CD1 4.32Å; L773-L818 HydrophobicContact CD1-CB 4.41Å
774L92.1Very high86.3Confident0 Ų034 Ų340%016%0.161CC..EExtended strand (participates in β ladder)trans-107.3135.4177.3-57.7177.2000110.5Y657 I660 L664 V772 L782 K785 I816 S817 I819Y657-L774 HydrophobicContact CD2-CB 4.25Å; Y657-L774 HydrophobicContact CE2-CB 3.81Å; I660-L774 HydrophobicContact CD1-CD2 3.78Å; I660-L774 HydrophobicContact CG1-CD1 4.18Å; I660-L774 HydrophobicContact CG1-CD2 4.28Å; I660-L774 HydrophobicContact CG2-CD1 3.83Å; I660-L774 HydrophobicContact CG2-CD2 4.31Å; L664-L774 HydrophobicContact CD1-CD1 4.2Å; V772-L774 HydrophobicContact CG1-CD1 4.48Å; V772-L774 HydrophobicContact CG1-CD2 3.48Å; V772-L774 VanDerWaalsContact CG1-CD2 3.48Å; V772-L774 HydrophobicContact CG1-CG 3.74Å; L774-L782 HydrophobicContact CD2-CD1 4.37Å; L774-K785 HydrophobicContact CD2-CB 3.7Å; L774-I816 CarbonylContact O-C 3.59Å; L774-I816 VanDerWaalsContact O-CA 3.29Å; L774-I816 WeakPolarHBondContact O-CA 3.35Å; L774-S817 PolarHBondContact N-O 2.81Å; L774-S817 PolarHBondContact O-N 2.95Å; L774-I819 HydrophobicContact CD1-CD1 3.94Å
775V92Very high86.6Confident0 Ų029.3 Ų29.30%014%0.14CC..EExtended strand (participates in β ladder)trans-124.8117.7172.7-174.70000108.8F759 V783 R784 W786 M803 L814 N815 I816F759-V775 HydrophobicContact CE1-CG2 3.98Å; F759-V775 HydrophobicContact CZ-CG2 3.95Å; V775-V783 HydrophobicContact CG1-CB 4.38Å; V775-V783 WeakPolarHBondContact O-CA 3.24Å; V775-V783 WeakPolarHBondContact O-CB 2.9Å; V775-V783 PolarHBondContact O-N 3Å; V775-R784 HydrophobicContact CB-CB 4.46Å; V775-R784 PolarHBondContact N-O 3.12Å; V775-R784 PolarHBondContact O-N 3.4Å; V775-R784 VanDerWaalsContact O-N 3.11Å; V775-W786 HydrophobicContact CG2-CZ3 3.78Å; V775-M803 HydrophobicContact CB-CE 4.31Å; V775-M803 HydrophobicContact CG1-CE 3.84Å; V775-M803 HydrophobicContact CG2-CE 4.33Å; V775-L814 HydrophobicContact CG1-CB 4.21Å; V775-L814 HydrophobicContact CG1-CD1 4.29Å; V775-L814 HydrophobicContact CG1-CD2 4.18Å; V775-L814 HydrophobicContact CG1-CG 4.47Å; V775-N815 CarbonylContact C-O 3.5Å; V775-N815 WeakPolarHBondContact CA-O 3.36Å; V775-I816 HydrophobicContact CG1-CG1 4.32Å; V775-I816 HydrophobicContact CG2-CG1 4.3Å; V775-I816 HydrophobicContact CG2-CG2 4.35Å
776G90.4Very high87.1Confident0 Ų029.4 Ų29.40%014%0.139CC..EExtended strand (participates in β ladder)trans-114.1158.4175.600000112.1Y657 Y781 L814 N815Y657-G776 VanDerWaalsContact CD2-CA 3.46Å; G776-Y781 CarbonylContact C-O 3.59Å; G776-Y781 WeakPolarHBondContact CA-O 3.41Å; G776-L814 CarbonylContact O-C 2.83Å; G776-L814 VanDerWaalsContact O-CA 3.24Å; G776-L814 WeakPolarHBondContact O-CA 3.29Å; G776-N815 PolarHBondContact N-O 2.97Å; G776-N815 PolarHBondContact O-N 3Å
777S88.7Confident87.7Confident1 Ų127.3 Ų27.31%0.00713%0.128CC..  trans-86.9170.517459.80000112.4K779 K780 Y781 P813 N815S777-K779 PolarHBondContact O-N 2.98Å; S777-K780 PolarHBondContact O-N 3.11Å; S777-Y781 PolarHBondContact N-O 3.09Å; S777-Y781 WeakPolarHBondContact OG-CB 3.17Å; S777-Y781 PolarHBondContact OG-N 3.17Å; S777-Y781 PolarHBondContact OG-O 3Å; S777-P813 CarbonylContact C-O 3.52Å; S777-N815 PolarHBondContact O-ND2 2.85Å; S777-N815 VanDerWaalsContact O-ND2 3.16Å
778A83.5Confident88.2Confident47 Ų4726.9 Ų26.939%0.38813%0.125SC..THydrogen-bonded Turntrans-57.4-33.2170.700000113.2K780 N812 P813A778-K780 PolarHBondContact O-N 2.99Å; A778-N812 WeakPolarHBondContact CB-O 3.31Å; A778-P813 WeakPolarHBondContact CA-O 3.28Å; A778-P813 HydrophobicContact CB-CG 4.46Å; A778-P813 PolarHBondContact N-O 2.66Å
779K83.1Confident88.4Confident113 Ų11328.2 Ų28.249%0.49113%0.132SC..THydrogen-bonded Turntrans-82.615.7175.1-69.1-177.41771740113.6S777 Y781S777-K779 PolarHBondContact O-N 2.98Å; K779-Y781 HydrophobicContact CB-CD2 3.71Å; K779-Y781 HydrophobicContact CB-CE2 3.8Å; K779-Y781 HydrophobicContact CD-CE2 4.35Å; K779-Y781 PolarHBondContact O-N 2.91Å
780K85.8Confident88.3Confident91 Ų9128.1 Ų28.140%0.39613%0.131SC..SBendtrans64.213.5178.3-52.5172.8175.3-176.30115E531 K656 Y657 P658 S777 A778E531-K780 HydrophobicContact CG-CD 4.43Å; E531-K780 IonicContact OE2-NZ 3.17Å; E531-K780 PolarHBondContact OE2-NZ 2.99Å; K656-K780 WeakPolarHBondContact CA-O 3.46Å; Y657-K780 WeakPolarHBondContact CB-O 3.31Å; Y657-K780 PolarHBondContact N-O 2.7Å; P658-K780 WeakPolarHBondContact CD-O 3.46Å; P658-K780 HydrophobicContact CG-CB 3.86Å; P658-K780 HydrophobicContact CG-CD 4Å; P658-K780 HydrophobicContact CG-CG 4.13Å; S777-K780 PolarHBondContact O-N 3.11Å; A778-K780 PolarHBondContact O-N 2.99Å
781Y87.6Confident87.7Confident81 Ų8132.2 Ų32.232%0.31815%0.153SC..BIsolated β-bridgetrans-77.3141.5172-64.3-73000110.7Y637 M655 K656 G776 S777 K779 V783Y637-Y781 HydrophobicContact CD1-CD2 4.37Å; Y637-Y781 HydrophobicContact CD1-CG 4.43Å; Y637-Y781 HydrophobicContact CE1-CD1 4.24Å; Y637-Y781 HydrophobicContact CE1-CD2 4.02Å; Y637-Y781 AromaticContact CE1-CG 3.64Å; Y637-Y781 HydrophobicContact CE1-CG 3.64Å; M655-Y781 WeakPolarHBondContact O-CA 3.01Å; K656-Y781 HydrophobicContact CD-CD1 4Å; K656-Y781 HydrophobicContact CD-CE1 4.14Å; G776-Y781 CarbonylContact C-O 3.59Å; G776-Y781 WeakPolarHBondContact CA-O 3.41Å; S777-Y781 PolarHBondContact N-O 3.09Å; S777-Y781 WeakPolarHBondContact OG-CB 3.17Å; S777-Y781 PolarHBondContact OG-N 3.17Å; S777-Y781 PolarHBondContact OG-O 3Å; K779-Y781 HydrophobicContact CB-CD2 3.71Å; K779-Y781 HydrophobicContact CB-CE2 3.8Å; K779-Y781 HydrophobicContact CD-CE2 4.35Å; K779-Y781 PolarHBondContact O-N 2.91Å; Y781-V783 PolarHBondContact O-N 3.4Å
782L88.1Confident86.5Confident4 Ų437.3 Ų37.32%0.02118%0.18CC..EExtended strand (participates in β ladder)trans-76.4109.1174.2-178.865.7000109.4C632 Y637 M655 Y657 I660 L774 K785C632-L782 VanDerWaalsContact CB-O 3.31Å; C632-L782 WeakPolarHBondContact CB-O 3.4Å; Y637-L782 PolarHBondContact OH-O 3.39Å; M655-L782 PolarHBondContact O-N 3.42Å; Y657-L782 HydrophobicContact CD2-CD1 4.15Å; I660-L782 HydrophobicContact CG2-CD1 4.35Å; I660-L782 HydrophobicContact CG2-CD2 4.49Å; L774-L782 HydrophobicContact CD2-CD1 4.37Å; L782-K785 HydrophobicContact CD2-CD 4.13Å
783V88.2Confident85Confident3 Ų340.2 Ų40.22%0.01820%0.2CC..EExtended strand (participates in β ladder)trans-80.9-46.1-178.3-179.20000110.6L634 V775 Y781 M803 L805 L811 L814L634-V783 HydrophobicContact CD2-CG1 3.79Å; V775-V783 HydrophobicContact CG1-CB 4.38Å; V775-V783 WeakPolarHBondContact O-CA 3.24Å; V775-V783 WeakPolarHBondContact O-CB 2.9Å; V775-V783 PolarHBondContact O-N 3Å; Y781-V783 PolarHBondContact O-N 3.4Å; V783-M803 HydrophobicContact CG1-SD 3.8Å; V783-L805 HydrophobicContact CG1-CD2 3.98Å; V783-L811 HydrophobicContact CG2-CD2 4.26Å; V783-L814 HydrophobicContact CG2-CD2 4.31Å
784R89.2Confident83.4Confident88 Ų8849.4 Ų49.433%0.33224%0.243SC..EExtended strand (participates in β ladder)trans-156.2151.7-179.7-134.7-62.6-166.9-153.6-4.3110.7V775 W786 M803V775-R784 HydrophobicContact CB-CB 4.46Å; V775-R784 PolarHBondContact N-O 3.12Å; V775-R784 PolarHBondContact O-N 3.4Å; V775-R784 VanDerWaalsContact O-N 3.11Å; R784-W786 HydrophobicContact CB-CE3 4.43Å; R784-W786 HydrophobicContact CB-CH2 3.71Å; R784-W786 HydrophobicContact CB-CZ2 4.23Å; R784-W786 HydrophobicContact CB-CZ3 3.84Å; R784-W786 VanDerWaalsContact CD-CE2 3.4Å; R784-W786 VanDerWaalsContact CD-CZ2 3.48Å; R784-W786 HydrophobicContact CG-CH2 3.61Å; R784-W786 HydrophobicContact CG-CZ2 3.59Å; R784-W786 HydrophobicContact CG-CZ3 4.11Å; R784-W786 VanDerWaalsContact CZ-NE1 3.27Å; R784-W786 VanDerWaalsContact NE-NE1 3.15Å; R784-M803 HydrophobicContact CB-SD 3.55Å; R784-M803 VanDerWaalsContact CB-SD 3.55Å; R784-M803 HydrophobicContact CG-SD 3.92Å
785K90.1Very high82.2Confident6 Ų651.4 Ų51.43%0.02626%0.263CS..EExtended strand (participates in β ladder)trans-134.4144.6170.765.2-166.9-174.5-161.40109.7L627 W628 Y630 L773 L774 L782L627-K785 PolarHBondContact O-NZ 3.4Å; W628-K785 HydrophobicContact CE3-CD 4.31Å; W628-K785 HydrophobicContact CZ3-CD 4.41Å; W628-K785 VanDerWaalsContact O-CE 3.3Å; W628-K785 WeakPolarHBondContact O-CE 3.48Å; W628-K785 PolarHBondContact O-NZ 2.92Å; Y630-K785 PolarHBondContact O-NZ 2.89Å; L773-K785 CarbonylContact O-C 3.5Å; L773-K785 VanDerWaalsContact O-CA 3.25Å; L773-K785 WeakPolarHBondContact O-CA 3.34Å; L774-K785 HydrophobicContact CD2-CB 3.7Å; L782-K785 HydrophobicContact CD2-CD 4.13Å
786W91.9Very high81.6Confident21 Ų2155.3 Ų55.38%0.0829%0.287CS..EExtended strand (participates in β ladder)trans-135.5143.8171.3-65.5-86.8000109.8F759 V772 L773 V775 R784 L788 R801 M803F759-W786 HydrophobicContact CD2-CH2 4.26Å; F759-W786 HydrophobicContact CD2-CZ3 4.48Å; F759-W786 HydrophobicContact CE2-CH2 4.13Å; F759-W786 HydrophobicContact CE2-CZ3 4.44Å; V772-W786 CarbonylContact C-O 3.54Å; V772-W786 WeakPolarHBondContact CA-O 3.39Å; L773-W786 HydrophobicContact CB-CB 4.37Å; L773-W786 HydrophobicContact CB-CE3 4.25Å; L773-W786 HydrophobicContact CD2-CD2 4.45Å; L773-W786 HydrophobicContact CD2-CE3 3.61Å; L773-W786 HydrophobicContact CD2-CZ3 3.96Å; L773-W786 HydrophobicContact CG-CE3 3.88Å; L773-W786 HydrophobicContact CG-CZ3 4.33Å; L773-W786 PolarHBondContact N-O 2.78Å; L773-W786 PolarHBondContact O-N 3.27Å; V775-W786 HydrophobicContact CG2-CZ3 3.78Å; R784-W786 HydrophobicContact CB-CE3 4.43Å; R784-W786 HydrophobicContact CB-CH2 3.71Å; R784-W786 HydrophobicContact CB-CZ2 4.23Å; R784-W786 HydrophobicContact CB-CZ3 3.84Å; R784-W786 VanDerWaalsContact CD-CE2 3.4Å; R784-W786 VanDerWaalsContact CD-CZ2 3.48Å; R784-W786 HydrophobicContact CG-CH2 3.61Å; R784-W786 HydrophobicContact CG-CZ2 3.59Å; R784-W786 HydrophobicContact CG-CZ3 4.11Å; R784-W786 VanDerWaalsContact CZ-NE1 3.27Å; R784-W786 VanDerWaalsContact NE-NE1 3.15Å; W786-L788 HydrophobicContact CB-CD2 4.32Å; W786-R801 HydrophobicContact CD2-CB 4.28Å; W786-R801 HydrophobicContact CD2-CG 4.26Å; W786-R801 HydrophobicContact CG-CG 4.13Å; W786-R801 HydrophobicContact CZ2-CB 4.26Å; W786-M803 HydrophobicContact CH2-CB 3.86Å; W786-M803 HydrophobicContact CH2-CE 4.35Å; W786-M803 HydrophobicContact CH2-CG 4.43Å; W786-M803 HydrophobicContact CH2-SD 4.02Å; W786-M803 HydrophobicContact CZ2-CB 4.13Å
787L88.5Confident81.2Confident36 Ų3656.3 Ų56.319%0.18829%0.294CS..EExtended strand (participates in β ladder)trans-90.5140.1160.1-156.269.2000109.3W628 C770 V772 E789 P1100W628-L787 HydrophobicContact CH2-CB 4.14Å; W628-L787 HydrophobicContact CH2-CD1 4.07Å; W628-L787 HydrophobicContact CZ2-CB 3.79Å; W628-L787 HydrophobicContact CZ2-CD1 4.28Å; C770-L787 WeakPolarHBondContact SG-CD1 3.37Å; C770-L787 VanDerWaalsContact SG-CD2 3.56Å; C770-L787 VanDerWaalsContact SG-CG 3.52Å; V772-L787 HydrophobicContact CG2-CD1 3.69Å; L787-E789 HydrophobicContact CD2-CG 4.33Å; L787-P1100 HydrophobicContact CB-CG 4.03Å; L787-P1100 HydrophobicContact CD2-CB 3.45Å; L787-P1100 VanDerWaalsContact CD2-CB 3.45Å; L787-P1100 HydrophobicContact CD2-CG 3.29Å; L787-P1100 HydrophobicContact CG-CG 4.28Å
788L89.6Confident81.2Confident1 Ų160.2 Ų60.21%0.00532%0.318CS..EExtended strand (participates in β ladder)trans-123.6115.1178.8-52.6178.3000106.9I761 C770 A771 L773 W786 Y790 I799 R801 L818I761-L788 HydrophobicContact CB-CD1 4.2Å; I761-L788 HydrophobicContact CD1-CD1 4.05Å; I761-L788 HydrophobicContact CG1-CD1 3.91Å; I761-L788 HydrophobicContact CG2-CD1 4.15Å; C770-L788 CarbonylContact C-O 3.59Å; C770-L788 WeakPolarHBondContact CA-O 2.96Å; A771-L788 HydrophobicContact CB-CB 4.42Å; A771-L788 PolarHBondContact N-O 3.04Å; A771-L788 WeakPolarHBondContact O-CB 3.44Å; A771-L788 PolarHBondContact O-N 3.34Å; L773-L788 HydrophobicContact CB-CD1 4.13Å; W786-L788 HydrophobicContact CB-CD2 4.32Å; L788-Y790 HydrophobicContact CB-CE2 3.75Å; L788-I799 HydrophobicContact CB-CD1 4.11Å; L788-I799 HydrophobicContact CD2-CG2 3.89Å; L788-R801 HydrophobicContact CD2-CG 4.25Å; L788-L818 HydrophobicContact CD1-CD1 3.62Å
789E85Confident81.5Confident80 Ų8059.3 Ų59.337%0.37431%0.306SS..EExtended strand (participates in β ladder)trans-104133.2177.5-68.7174.1173.100108.9L787 P1100L787-E789 HydrophobicContact CD2-CG 4.33Å; E789-P1100 WeakPolarHBondContact OE1-CB 3.37Å
790Y81.6Confident81.9Confident4 Ų457.3 Ų57.32%0.01630%0.304CS..EExtended strand (participates in β ladder)trans-119.3113.3179.4-61.5-88.4000108.1Y740 I761 Q763 K768 D769 A771 L788 I799Y740-Y790 HydrophobicContact CE1-CD2 4.15Å; Y740-Y790 HydrophobicContact CE1-CE1 4.48Å; Y740-Y790 AromaticContact CE1-CE2 3.57Å; Y740-Y790 HydrophobicContact CE1-CE2 3.57Å; Y740-Y790 AromaticContact CE1-CZ 3.76Å; I761-Y790 WeakPolarHBondContact CG2-OH 3.27Å; Q763-Y790 HydrophobicContact CB-CD1 3.98Å; Q763-Y790 HydrophobicContact CB-CE1 3.82Å; K768-Y790 VanDerWaalsContact CA-O 3.31Å; K768-Y790 WeakPolarHBondContact CA-O 3.28Å; D769-Y790 PolarHBondContact N-O 2.85Å; D769-Y790 PolarHBondContact O-N 2.77Å; A771-Y790 HydrophobicContact CB-CE2 4.14Å; L788-Y790 HydrophobicContact CB-CE2 3.75Å; Y790-I799 HydrophobicContact CD1-CD1 3.97Å; Y790-I799 HydrophobicContact CE1-CD1 3.49Å; Y790-I799 VanDerWaalsContact CE1-CD1 3.49Å; Y790-I799 HydrophobicContact CE1-CG1 3.99Å; Y790-I799 HydrophobicContact CE2-CD1 4.29Å
791D72.4Confident82.1Confident97 Ų9757.1 Ų57.152%0.51930%0.301SS..  trans-86160.9172.6-70.8-40.1000111.1S793D791-S793 PolarHBondContact O-N 2.85Å
792N64.6Low82.2Confident106 Ų10658.6 Ų58.657%0.56731%0.31SS*.  trans-69.958.3173.9-82.8-10.5000111.7N766 K768N766-N792 WeakPolarHBondContact OD1-CA 3.31Å; K768-N792 WeakPolarHBondContact CB-OD1 3.47Å; K768-N792 PolarHBondContact N-OD1 3.08Å
793S58.9Low82.2Confident65 Ų6558.9 Ų58.946%0.45531%0.312SS..  trans-88.1131.5169.956.60000109.8N766 D791 G795N766-S793 PolarHBondContact OD1-O 3.05Å; D791-S793 PolarHBondContact O-N 2.85Å; S793-G795 PolarHBondContact O-N 2.78Å
794E59.7Low82Confident194 Ų19463.6 Ų63.691%0.90733%0.333SS*.SBendtrans-54.4111.8177.6-68.5-174.7162.800111.5
795G68.5Low81.7Confident41 Ų4159.4 Ų59.442%0.42332%0.318SS..SBendtrans127.5-167.1171.100000115.1S793S793-G795 PolarHBondContact O-N 2.78Å
796T78Confident81.3Confident82 Ų8260.5 Ų60.550%0.50333%0.326SS..  trans-83.2117.7175.4-630000109.5T762 Q763 K764 V798T762-T796 HydrophobicContact CG2-CG2 3.32Å; Q763-T796 WeakPolarHBondContact O-CA 3.35Å; Q763-T796 WeakPolarHBondContact O-CG2 3.49Å; K764-T796 PolarHBondContact O-OG1 2.6Å; T796-V798 HydrophobicContact CG2-CG2 4.3Å
797S83.2Confident80.6Confident21 Ų2160.5 Ų60.515%0.14733%0.327CS..EExtended strand (participates in β ladder)trans-86.3127.3178.3-60.40000110.5T762 Q763T762-S797 CarbonylContact C-O 3.6Å; T762-S797 WeakPolarHBondContact CA-O 3.38Å; Q763-S797 PolarHBondContact N-O 2.99Å; Q763-S797 PolarHBondContact O-N 2.57Å; Q763-S797 VanDerWaalsContact O-N 3.08Å
798V87.4Confident80Confident84 Ų8459.8 Ų59.851%0.50932%0.323SS..EExtended strand (participates in β ladder)trans-120.2118.7179-176.70000109.3T760 I761 T762 T796T760-V798 HydrophobicContact CG2-CG1 3.62Å; I761-V798 CarbonylContact O-C 3.56Å; I761-V798 WeakPolarHBondContact O-CA 3.27Å; T762-V798 HydrophobicContact CG2-CG2 4.08Å; T796-V798 HydrophobicContact CG2-CG2 4.3Å
799I89.8Confident79.4Confident27 Ų2763.8 Ų63.814%0.13834%0.342CS..EExtended strand (participates in β ladder)trans-112.4127.9176.5-57.2176.4000108.5I761 L788 Y790I761-I799 WeakPolarHBondContact CD1-O 3.12Å; I761-I799 PolarHBondContact N-O 3.36Å; I761-I799 PolarHBondContact O-N 3.09Å; L788-I799 HydrophobicContact CB-CD1 4.11Å; L788-I799 HydrophobicContact CD2-CG2 3.89Å; Y790-I799 HydrophobicContact CD1-CD1 3.97Å; Y790-I799 HydrophobicContact CE1-CD1 3.49Å; Y790-I799 VanDerWaalsContact CE1-CD1 3.49Å; Y790-I799 HydrophobicContact CE1-CG1 3.99Å; Y790-I799 HydrophobicContact CE2-CD1 4.29Å
800T91.1Very high78.9Confident71 Ų7161.4 Ų61.444%0.43633%0.333SS..EExtended strand (participates in β ladder)trans-108.1140.4173.256.70000111F759 T760F759-T800 CarbonylContact O-C 3.6Å; F759-T800 VanDerWaalsContact O-CA 3.27Å; F759-T800 WeakPolarHBondContact O-CA 3.36Å; T760-T800 HydrophobicContact CG2-CG2 3.95Å
801R91.6Very high78.9Confident88 Ų8861.2 Ų61.233%0.33233%0.332SS..EExtended strand (participates in β ladder)trans-131.9141.2174-64.2-64.2179-119.69109.2M758 F759 W786 L788M758-R801 CarbonylContact C-O 3.56Å; M758-R801 WeakPolarHBondContact CA-O 3.11Å; F759-R801 HydrophobicContact CB-CB 4.44Å; F759-R801 PolarHBondContact N-O 2.78Å; F759-R801 PolarHBondContact O-N 3.22Å; W786-R801 HydrophobicContact CD2-CB 4.28Å; W786-R801 HydrophobicContact CD2-CG 4.26Å; W786-R801 HydrophobicContact CG-CG 4.13Å; W786-R801 HydrophobicContact CZ2-CB 4.26Å; L788-R801 HydrophobicContact CD2-CG 4.25Å
802Q89.6Confident79.4Confident111 Ų11158.5 Ų58.552%0.51932%0.318SS..EExtended strand (participates in β ladder)trans-120.1149178.2-68.2177.71400109.5L757 M758L757-Q802 CarbonylContact O-C 3.54Å; L757-Q802 WeakPolarHBondContact O-CA 3.43Å; M758-Q802 HydrophobicContact CB-CG 4.24Å; M758-Q802 HydrophobicContact CG-CG 4.02Å
803M87.1Confident80.5Confident11 Ų1154.9 Ų54.95%0.05430%0.3CS..EExtended strand (participates in β ladder)trans-145.5136.2179174.8174.256.400109.9L757 F759 V775 V783 R784 W786 L805L757-M803 HydrophobicContact CD1-CE 4.49Å; L757-M803 PolarHBondContact N-O 2.98Å; L757-M803 PolarHBondContact O-N 2.81Å; F759-M803 HydrophobicContact CE2-CB 4.14Å; F759-M803 HydrophobicContact CE2-CE 3.61Å; F759-M803 HydrophobicContact CZ-CE 3.55Å; V775-M803 HydrophobicContact CB-CE 4.31Å; V775-M803 HydrophobicContact CG1-CE 3.84Å; V775-M803 HydrophobicContact CG2-CE 4.33Å; V783-M803 HydrophobicContact CG1-SD 3.8Å; R784-M803 HydrophobicContact CB-SD 3.55Å; R784-M803 VanDerWaalsContact CB-SD 3.55Å; R784-M803 HydrophobicContact CG-SD 3.92Å; W786-M803 HydrophobicContact CH2-CB 3.86Å; W786-M803 HydrophobicContact CH2-CE 4.35Å; W786-M803 HydrophobicContact CH2-CG 4.43Å; W786-M803 HydrophobicContact CH2-SD 4.02Å; W786-M803 HydrophobicContact CZ2-CB 4.13Å; M803-L805 HydrophobicContact CE-CD2 3.47Å; M803-L805 VanDerWaalsContact CE-CD2 3.47Å; M803-L805 HydrophobicContact CE-CG 4.48Å; M803-L805 HydrophobicContact CG-CD2 3.64Å; M803-L805 HydrophobicContact CG-CG 4.47Å; M803-L805 HydrophobicContact SD-CD2 3.52Å; M803-L805 VanDerWaalsContact SD-CD2 3.52Å
804E85.3Confident82Confident101 Ų10151.8 Ų51.847%0.47228%0.278SS..EExtended strand (participates in β ladder)trans-101136.9169.7-49.4-159.6145.400109.6L634 I755 Q756L634-E804 WeakPolarHBondContact CD1-O 3.31Å; I755-E804 CarbonylContact O-C 3.55Å; I755-E804 WeakPolarHBondContact O-CA 3.32Å; Q756-E804 HydrophobicContact CG-CG 4.07Å; Q756-E804 PolarHBondContact NE2-OE1 2.98Å
805L82.6Confident83.5Confident1 Ų144 Ų441%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-124.2144.7-179-40.4165.1000108.6N754 I755 L757 V783 M803 N807 L814 F834N754-L805 CarbonylContact C-O 3.59Å; N754-L805 VanDerWaalsContact CA-O 3.23Å; N754-L805 WeakPolarHBondContact CA-O 3.35Å; I755-L805 HydrophobicContact CB-CB 4.44Å; I755-L805 HydrophobicContact CB-CD1 4.4Å; I755-L805 HydrophobicContact CG2-CD1 4.34Å; I755-L805 PolarHBondContact N-O 2.81Å; I755-L805 PolarHBondContact O-N 2.71Å; L757-L805 HydrophobicContact CD1-CD1 3.61Å; L757-L805 HydrophobicContact CG-CD1 3.87Å; V783-L805 HydrophobicContact CG1-CD2 3.98Å; M803-L805 HydrophobicContact CE-CD2 3.47Å; M803-L805 VanDerWaalsContact CE-CD2 3.47Å; M803-L805 HydrophobicContact CE-CG 4.48Å; M803-L805 HydrophobicContact CG-CD2 3.64Å; M803-L805 HydrophobicContact CG-CG 4.47Å; M803-L805 HydrophobicContact SD-CD2 3.52Å; M803-L805 VanDerWaalsContact SD-CD2 3.52Å; L805-N807 PolarHBondContact O-N 3.06Å; L805-L814 HydrophobicContact CD1-CD1 3.94Å; L805-F834 HydrophobicContact CD1-CD1 4.23Å; L805-F834 HydrophobicContact CD1-CE1 4.31Å
806P80.8Confident84.6Confident29 Ų2942 Ų4219%0.18822%0.223CC..EExtended strand (participates in β ladder)trans-61.7140.8161.127.2-31.4000109.5D808 L811P806-D808 PolarHBondContact O-N 3.25Å; P806-L811 HydrophobicContact CG-CD1 3.91Å
807N77.3Confident85.3Confident21 Ų2138.1 Ų38.111%0.11220%0.199CC..  trans-72.469.7174.9-179.319.6000110.4S752 T753 I755 L805 S836 L837S752-N807 PolarHBondContact O-ND2 3.41Å; S752-N807 VanDerWaalsContact O-ND2 3.11Å; T753-N807 WeakPolarHBondContact O-CB 3.46Å; T753-N807 PolarHBondContact O-N 2.85Å; I755-N807 HydrophobicContact CD1-CB 4.11Å; I755-N807 HydrophobicContact CG1-CB 4.02Å; L805-N807 PolarHBondContact O-N 3.06Å; N807-S836 VanDerWaalsContact OD1-CA 3.24Å; N807-S836 WeakPolarHBondContact OD1-CA 3.31Å; N807-S836 VanDerWaalsContact OD1-CB 3.29Å; N807-S836 WeakPolarHBondContact OD1-CB 3.38Å; N807-S836 PolarHBondContact OD1-OG 3.31Å; N807-L837 PolarHBondContact ND2-N 3.21Å; N807-L837 PolarHBondContact OD1-N 3.47Å
808D76.7Confident85.7Confident21 Ų2137.1 Ų37.111%0.11219%0.192CC..  trans-117.1122.1178.7-175.68.5000110.8P806 T810 L811P806-D808 PolarHBondContact O-N 3.25Å; D808-T810 VanDerWaalsContact CG-OG1 3.28Å; D808-T810 PolarHBondContact O-N 3.32Å; D808-T810 WeakPolarHBondContact OD1-CG2 3.49Å; D808-T810 PolarHBondContact OD1-N 2.95Å; D808-T810 PolarHBondContact OD2-OG1 3.17Å; D808-L811 PolarHBondContact O-N 3.08Å; D808-L811 VanDerWaalsContact O-N 3.07Å
809E76.9Confident85.8Confident84 Ų8433.4 Ų33.439%0.39317%0.169SC..G310 helixtrans-58.7-20.3175.7-66.6-165156.100112.8L811 N812 N839E809-L811 PolarHBondContact O-N 3.31Å; E809-N812 PolarHBondContact O-N 3.21Å; E809-N812 VanDerWaalsContact O-N 3.15Å; E809-N839 PolarHBondContact OE1-ND2 2.82Å
810T74.2Confident85.7Confident30 Ų3032.1 Ų32.118%0.18416%0.162CC..G310 helixtrans-67.6-17.2176.779.70000114.3D808D808-T810 VanDerWaalsContact CG-OG1 3.28Å; D808-T810 PolarHBondContact O-N 3.32Å; D808-T810 WeakPolarHBondContact OD1-CG2 3.49Å; D808-T810 PolarHBondContact OD1-N 2.95Å; D808-T810 PolarHBondContact OD2-OG1 3.17Å
811L80.5Confident85.4Confident1 Ų129.7 Ų29.71%0.00515%0.147CC..G310 helixtrans-86.4-14.5175.4-62.8177.2000113Y637 V783 P806 D808 E809 P813 L814 F834Y637-L811 HydrophobicContact CD1-CD2 4.26Å; Y637-L811 HydrophobicContact CD2-CD2 4.3Å; Y637-L811 HydrophobicContact CG-CD2 3.93Å; V783-L811 HydrophobicContact CG2-CD2 4.26Å; P806-L811 HydrophobicContact CG-CD1 3.91Å; D808-L811 PolarHBondContact O-N 3.08Å; D808-L811 VanDerWaalsContact O-N 3.07Å; E809-L811 PolarHBondContact O-N 3.31Å; L811-P813 CarbonylContact O-C 3.56Å; L811-P813 VanDerWaalsContact O-C 3.23Å; L811-P813 VanDerWaalsContact O-O 3.07Å; L811-L814 HydrophobicContact CB-CD2 4.45Å; L811-L814 WeakPolarHBondContact O-CD2 3.28Å; L811-F834 HydrophobicContact CB-CE1 4.13Å; L811-F834 HydrophobicContact CB-CZ 4.07Å
812N83Confident84.8Confident40 Ų4027.1 Ų27.121%0.21414%0.14CC..PPolyproline II helixtrans-97.3128.5-171.8-161.8-3.4000111.4A778 E809 H833 F834A778-N812 WeakPolarHBondContact CB-O 3.31Å; E809-N812 PolarHBondContact O-N 3.21Å; E809-N812 VanDerWaalsContact O-N 3.15Å; N812-H833 VanDerWaalsContact OD1-CA 3.26Å; N812-H833 WeakPolarHBondContact OD1-CA 3.47Å; N812-H833 PolarHBondContact OD1-CD2 3.35Å; N812-F834 HydrophobicContact CB-CD1 4.39Å; N812-F834 HydrophobicContact CB-CE1 3.78Å; N812-F834 HydrophobicContact CB-CE2 4.14Å; N812-F834 HydrophobicContact CB-CZ 3.66Å; N812-F834 PolarHBondContact ND2-O 3.43Å
813P88.2Confident84.5Confident30 Ų3023.6 Ų23.620%0.19512%0.122CC..SBendcis-74.7154.7-3.328.5-34.6000115.2S777 A778 L811S777-P813 CarbonylContact C-O 3.52Å; A778-P813 WeakPolarHBondContact CA-O 3.28Å; A778-P813 HydrophobicContact CB-CG 4.46Å; A778-P813 PolarHBondContact N-O 2.66Å; L811-P813 CarbonylContact O-C 3.56Å; L811-P813 VanDerWaalsContact O-C 3.23Å; L811-P813 VanDerWaalsContact O-O 3.07Å
814L90Very high84.2Confident0 Ų023 Ų230%012%0.12CC..EExtended strand (participates in β ladder)trans-83128.7166.4-62.6175.4000110.1L757 V775 G776 V783 L805 L811 I816 K831 Y832 F834L757-L814 HydrophobicContact CD1-CD1 3.38Å; V775-L814 HydrophobicContact CG1-CB 4.21Å; V775-L814 HydrophobicContact CG1-CD1 4.29Å; V775-L814 HydrophobicContact CG1-CD2 4.18Å; V775-L814 HydrophobicContact CG1-CG 4.47Å; G776-L814 CarbonylContact O-C 2.83Å; G776-L814 VanDerWaalsContact O-CA 3.24Å; G776-L814 WeakPolarHBondContact O-CA 3.29Å; V783-L814 HydrophobicContact CG2-CD2 4.31Å; L805-L814 HydrophobicContact CD1-CD1 3.94Å; L811-L814 HydrophobicContact CB-CD2 4.45Å; L811-L814 WeakPolarHBondContact O-CD2 3.28Å; L814-I816 HydrophobicContact CB-CG1 4.48Å; L814-K831 CarbonylContact O-C 3.52Å; L814-K831 VanDerWaalsContact O-CA 3.3Å; L814-K831 WeakPolarHBondContact O-CA 3.39Å; L814-Y832 PolarHBondContact N-O 3.25Å; L814-Y832 PolarHBondContact O-N 3.02Å; L814-F834 HydrophobicContact CD1-CD1 4.03Å; L814-F834 HydrophobicContact CD1-CE1 4.35Å; L814-F834 HydrophobicContact CD2-CE1 4.43Å; L814-F834 HydrophobicContact CG-CD1 4.1Å; L814-F834 HydrophobicContact CG-CE1 4.11Å
815N91.3Very high83.7Confident30 Ų3019.5 Ų19.516%0.1611%0.111CC..EExtended strand (participates in β ladder)trans-89.4121.7168.7-60.8-62.9000108.5Y657 V775 G776 S777 K831Y657-N815 HydrophobicContact CE1-CB 3.95Å; Y657-N815 HydrophobicContact CE2-CB 4.39Å; V775-N815 CarbonylContact C-O 3.5Å; V775-N815 WeakPolarHBondContact CA-O 3.36Å; G776-N815 PolarHBondContact N-O 2.97Å; G776-N815 PolarHBondContact O-N 3Å; S777-N815 PolarHBondContact O-ND2 2.85Å; S777-N815 VanDerWaalsContact O-ND2 3.16Å; N815-K831 WeakPolarHBondContact OD1-CE 3.44Å; N815-K831 WeakPolarHBondContact OD1-CG 3.44Å
816I92.3Very high83.7Confident0 Ų020.7 Ų20.70%012%0.118CC..EExtended strand (participates in β ladder)trans-119.4126.6-177.1-54.5159.6000108.7L742 V744 F759 L773 L774 V775 L814 H829 T830 Y832L742-I816 HydrophobicContact CD2-CG2 3.7Å; V744-I816 HydrophobicContact CG1-CD1 4.5Å; V744-I816 HydrophobicContact CG2-CD1 3.88Å; F759-I816 HydrophobicContact CE1-CD1 3.71Å; F759-I816 HydrophobicContact CE1-CG1 4.13Å; F759-I816 HydrophobicContact CE1-CG2 4.32Å; L773-I816 HydrophobicContact CD1-CG2 3.64Å; L774-I816 CarbonylContact O-C 3.59Å; L774-I816 VanDerWaalsContact O-CA 3.29Å; L774-I816 WeakPolarHBondContact O-CA 3.35Å; V775-I816 HydrophobicContact CG1-CG1 4.32Å; V775-I816 HydrophobicContact CG2-CG1 4.3Å; V775-I816 HydrophobicContact CG2-CG2 4.35Å; L814-I816 HydrophobicContact CB-CG1 4.48Å; I816-H829 WeakPolarHBondContact O-CA 3.48Å; I816-T830 HydrophobicContact CB-CG2 3.87Å; I816-T830 HydrophobicContact CD1-CG2 4.33Å; I816-T830 HydrophobicContact CG2-CG2 4.47Å; I816-T830 PolarHBondContact N-O 3.47Å; I816-T830 PolarHBondContact O-N 2.73Å; I816-Y832 HydrophobicContact CD1-CG 4.38Å
817S92.2Very high83.9Confident0 Ų019.6 Ų19.60%011%0.11CC..EExtended strand (participates in β ladder)trans-126.1126.2175.6-610000110.9Y657 L773 L774 L828 H829Y657-S817 PolarHBondContact OH-OG 2.8Å; L773-S817 CarbonylContact C-O 3.48Å; L773-S817 WeakPolarHBondContact CA-O 3.23Å; L774-S817 PolarHBondContact N-O 2.81Å; L774-S817 PolarHBondContact O-N 2.95Å; S817-L828 CarbonylContact C-O 3.59Å; S817-L828 VanDerWaalsContact CA-O 3.28Å; S817-L828 WeakPolarHBondContact CA-O 3.29Å; S817-H829 WeakPolarHBondContact CB-ND1 3.24Å; S817-H829 PolarHBondContact OG-CE1 3.39Å; S817-H829 PolarHBondContact OG-ND1 2.83Å
818L92.3Very high84.4Confident0 Ų020.1 Ų20.10%011%0.113CC..EExtended strand (participates in β ladder)trans-104.9113.5166.8178.969.2000107.8Y740 I761 A771 V772 L773 L788 D827 L828Y740-L818 HydrophobicContact CD1-CD2 4.11Å; Y740-L818 HydrophobicContact CD2-CD2 4.33Å; Y740-L818 HydrophobicContact CG-CD2 3.77Å; I761-L818 HydrophobicContact CG2-CD1 4.24Å; I761-L818 HydrophobicContact CG2-CD2 3.63Å; A771-L818 HydrophobicContact CB-CD1 3.9Å; V772-L818 CarbonylContact O-C 3.38Å; V772-L818 WeakPolarHBondContact O-CA 3.39Å; L773-L818 HydrophobicContact CB-CD1 4.32Å; L773-L818 HydrophobicContact CD1-CB 4.41Å; L788-L818 HydrophobicContact CD1-CD1 3.62Å; L818-D827 CarbonylContact O-C 3.55Å; L818-D827 VanDerWaalsContact O-CA 3.28Å; L818-D827 WeakPolarHBondContact O-CA 3.3Å; L818-L828 HydrophobicContact CB-CB 4.2Å; L818-L828 HydrophobicContact CD2-CD1 4.01Å; L818-L828 PolarHBondContact N-O 3.17Å; L818-L828 PolarHBondContact O-N 3.49Å
819I89.1Confident85Confident5 Ų521.4 Ų21.43%0.02612%0.118CC..EExtended strand (participates in β ladder)trans-120.7118.3-170.5-57.1173.8000108.4L661 L664 K668 A771 V772 L774 D827L661-I819 HydrophobicContact CD1-CD1 3.53Å; L664-I819 HydrophobicContact CD1-CD1 4.07Å; K668-I819 VanDerWaalsContact NZ-CG2 3.34Å; A771-I819 CarbonylContact C-O 3.58Å; A771-I819 VanDerWaalsContact CA-O 3.3Å; A771-I819 WeakPolarHBondContact CA-O 3.06Å; V772-I819 PolarHBondContact N-O 2.8Å; V772-I819 PolarHBondContact O-N 3.16Å; L774-I819 HydrophobicContact CD1-CD1 3.94Å; I819-D827 VanDerWaalsContact CA-OD1 3.31Å; I819-D827 WeakPolarHBondContact CA-OD1 3.48Å
820S88.4Confident85.4Confident0 Ų018.2 Ų18.20%010%0.104CC..EExtended strand (participates in β ladder)trans-67138.6170.1174.60000109.3K668 D769 N822 Y823 V826 D827K668-S820 WeakPolarHBondContact CD-O 3.5Å; K668-S820 WeakPolarHBondContact CE-O 3.15Å; K668-S820 PolarHBondContact NZ-O 3.37Å; D769-S820 PolarHBondContact OD1-OG 3.15Å; D769-S820 WeakPolarHBondContact OD2-CB 3Å; D769-S820 PolarHBondContact OD2-OG 3.27Å; S820-N822 PolarHBondContact OG-N 3.37Å; S820-Y823 PolarHBondContact OG-N 3Å; S820-V826 VanDerWaalsContact CB-CG2 3.41Å; S820-D827 PolarHBondContact N-OD1 3.38Å
821V83.9Confident86.1Confident20 Ų2022.6 Ų22.612%0.12112%0.121CC..SBendtrans-76.2-38.91751690000110.7C770 V772C770-V821 HydrophobicContact CB-CB 4.27Å; C770-V821 HydrophobicContact CB-CG2 4.37Å; C770-V821 VanDerWaalsContact O-CB 3.26Å; C770-V821 WeakPolarHBondContact O-CB 3.42Å; C770-V821 WeakPolarHBondContact O-CG2 3.42Å; C770-V821 PolarHBondContact O-N 3.5Å; V772-V821 HydrophobicContact CG2-CG2 3.94Å
822N79.8Confident86.4Confident35 Ų3523 Ų2319%0.18712%0.122CC..SBendtrans-98.2-26.3-170.7-57.6-51.1000113.6F672 D769 S820F672-N822 WeakPolarHBondContact CZ-O 3.27Å; D769-N822 WeakPolarHBondContact OD1-CB 3.37Å; D769-N822 PolarHBondContact OD1-ND2 3.24Å; S820-N822 PolarHBondContact OG-N 3.37Å
823Y82.7Confident86.6Confident36 Ų3626.7 Ų26.714%0.14114%0.138CC..  trans-111.5141.1-174.3-61.8-89.8000111.8K668 I737 P738 D769 S820K668-Y823 PolarHBondContact NZ-O 2.88Å; I737-Y823 HydrophobicContact CG1-CD1 4.49Å; I737-Y823 HydrophobicContact CG1-CE1 4.42Å; I737-Y823 HydrophobicContact CG2-CD1 4.23Å; P738-Y823 VanDerWaalsContact CD-CD2 3.47Å; P738-Y823 HydrophobicContact CG-CD2 3.46Å; P738-Y823 VanDerWaalsContact CG-CD2 3.46Å; P738-Y823 HydrophobicContact CG-CE2 3.9Å; P738-Y823 HydrophobicContact CG-CG 3.83Å; D769-Y823 HydrophobicContact CB-CD2 4.4Å; D769-Y823 HydrophobicContact CB-CE2 4.17Å; S820-Y823 PolarHBondContact OG-N 3Å
824G80.5Confident86.4Confident0 Ų025.6 Ų25.60%013%0.13CC..SBendtrans-89.4164.9167.700000110.3N682 V826N682-G824 PolarHBondContact ND2-O 3.45Å; N682-G824 WeakPolarHBondContact OD1-CA 3.45Å; N682-G824 PolarHBondContact OD1-N 3.29Å; N682-G824 PolarHBondContact OD1-O 3.06Å; G824-V826 PolarHBondContact O-N 3.19Å
825G74.7Confident85.9Confident27 Ų2729.1 Ų29.128%0.27815%0.148SC..SBendtrans76-12.6171.400000116.9Y864G825-Y864 VanDerWaalsContact CA-CD2 3.44Å
826V82.1Confident84.6Confident25 Ų2528.7 Ų28.715%0.15215%0.148CC..  trans-104.8-2.1-173.9-61.10000114.1I737 P738 Y740 S820 G824I737-V826 HydrophobicContact CG2-CG1 3.63Å; P738-V826 HydrophobicContact CG-CG2 4.41Å; P738-V826 WeakPolarHBondContact O-CG1 3.48Å; Y740-V826 HydrophobicContact CE2-CG2 4.35Å; S820-V826 VanDerWaalsContact CB-CG2 3.41Å; G824-V826 PolarHBondContact O-N 3.19Å
827D85.6Confident83.1Confident7 Ų731 Ų314%0.03716%0.16CC..  trans-68.4141.2-175.8-53.9-37.3000111.4K668 L818 I819 S820 G863K668-D827 IonicContact NZ-OD1 2.62Å; K668-D827 PolarHBondContact NZ-OD1 3.48Å; K668-D827 IonicContact NZ-OD2 3.6Å; K668-D827 PolarHBondContact NZ-OD2 3.48Å; L818-D827 CarbonylContact O-C 3.55Å; L818-D827 VanDerWaalsContact O-CA 3.28Å; L818-D827 WeakPolarHBondContact O-CA 3.3Å; I819-D827 VanDerWaalsContact CA-OD1 3.31Å; I819-D827 WeakPolarHBondContact CA-OD1 3.48Å; S820-D827 PolarHBondContact N-OD1 3.38Å; D827-G863 WeakPolarHBondContact O-CA 3.45Å
828L88.2Confident81.4Confident32 Ų3234.4 Ų34.417%0.16818%0.184CC..EExtended strand (participates in β ladder)trans-111.3127.5176.1-54.9177000109.9L742 S817 L818L742-L828 HydrophobicContact CB-CD1 4.11Å; S817-L828 CarbonylContact C-O 3.59Å; S817-L828 VanDerWaalsContact CA-O 3.28Å; S817-L828 WeakPolarHBondContact CA-O 3.29Å; L818-L828 HydrophobicContact CB-CB 4.2Å; L818-L828 HydrophobicContact CD2-CD1 4.01Å; L818-L828 PolarHBondContact N-O 3.17Å; L818-L828 PolarHBondContact O-N 3.49Å
829H88Confident79.2Confident47 Ų4737 Ų3722%0.21820%0.198CC..EExtended strand (participates in β ladder)trans-125.8125.2176.6-60.8-90000109.7I816 S817 I862I816-H829 WeakPolarHBondContact O-CA 3.48Å; S817-H829 WeakPolarHBondContact CB-ND1 3.24Å; S817-H829 PolarHBondContact OG-CE1 3.39Å; S817-H829 PolarHBondContact OG-ND1 2.83Å; H829-I862 PolarHBondContact CD2-O 2.84Å
830T86.9Confident77Confident17 Ų1743.6 Ų43.610%0.10423%0.226CC..EExtended strand (participates in β ladder)trans-143.7160.9-176.9-171.60000112.7L742 I816 W963L742-T830 HydrophobicContact CD2-CG2 4.05Å; I816-T830 HydrophobicContact CB-CG2 3.87Å; I816-T830 HydrophobicContact CD1-CG2 4.33Å; I816-T830 HydrophobicContact CG2-CG2 4.47Å; I816-T830 PolarHBondContact N-O 3.47Å; I816-T830 PolarHBondContact O-N 2.73Å; T830-W963 VanDerWaalsContact OG1-CZ2 3.29Å; T830-W963 WeakPolarHBondContact OG1-CZ2 3.29Å; T830-W963 PolarHBondContact OG1-NE1 2.86Å; T830-W963 VanDerWaalsContact OG1-NE1 3.13Å
831K87.9Confident74.6Confident122 Ų12253.6 Ų53.653%0.5327%0.265SS..EExtended strand (participates in β ladder)trans-116129.6172.7-69.1-177.6-178.3169.90109.7L814 N815L814-K831 CarbonylContact O-C 3.52Å; L814-K831 VanDerWaalsContact O-CA 3.3Å; L814-K831 WeakPolarHBondContact O-CA 3.39Å; N815-K831 WeakPolarHBondContact OD1-CE 3.44Å; N815-K831 WeakPolarHBondContact OD1-CG 3.44Å
832Y87.8Confident72.4Confident9 Ų958.7 Ų58.74%0.03529%0.292CS..EExtended strand (participates in β ladder)trans-117.5129-179.7-176.7-95.7000111.2V744 L757 L814 I816 F834 F961V744-Y832 HydrophobicContact CB-CD2 3.89Å; V744-Y832 HydrophobicContact CB-CE2 3.91Å; V744-Y832 HydrophobicContact CG1-CD1 4.16Å; V744-Y832 HydrophobicContact CG1-CD2 3.76Å; V744-Y832 HydrophobicContact CG1-CE1 4.12Å; V744-Y832 HydrophobicContact CG1-CE2 3.7Å; V744-Y832 HydrophobicContact CG1-CG 3.98Å; L757-Y832 HydrophobicContact CD1-CD1 4.17Å; L757-Y832 HydrophobicContact CD1-CE1 4.04Å; L757-Y832 HydrophobicContact CD2-CE1 3.73Å; L814-Y832 PolarHBondContact N-O 3.25Å; L814-Y832 PolarHBondContact O-N 3.02Å; I816-Y832 HydrophobicContact CD1-CG 4.38Å; Y832-F834 HydrophobicContact CD1-CB 4.44Å; Y832-F834 HydrophobicContact CE1-CB 3.92Å; Y832-F961 HydrophobicContact CD2-CD2 4.38Å; Y832-F961 HydrophobicContact CE2-CB 4.19Å; Y832-F961 AromaticContact CE2-CD2 3.45Å; Y832-F961 HydrophobicContact CE2-CD2 3.45Å; Y832-F961 VanDerWaalsContact CE2-CD2 3.45Å; Y832-F961 AromaticContact CE2-CE2 4Å; Y832-F961 HydrophobicContact CE2-CE2 4Å; Y832-F961 AromaticContact CE2-CG 3.99Å; Y832-F961 HydrophobicContact CE2-CG 3.99Å
833H87.5Confident70.3Confident118 Ų11865.5 Ų65.555%0.54632%0.315SS..  trans-106.2116175.2-64.680.9000109.7N812N812-H833 VanDerWaalsContact OD1-CA 3.26Å; N812-H833 WeakPolarHBondContact OD1-CA 3.47Å; N812-H833 PolarHBondContact OD1-CD2 3.35Å
834F83Confident68Low7 Ų770.8 Ų70.83%0.03135%0.345CS..  trans-87.8159.1175.758.9-102.3000111.8I755 L805 L811 N812 L814 Y832I755-F834 HydrophobicContact CD1-CB 4.5Å; I755-F834 HydrophobicContact CD1-CD2 3.16Å; I755-F834 HydrophobicContact CD1-CE2 3.4Å; I755-F834 VanDerWaalsContact CD1-CE2 3.4Å; I755-F834 HydrophobicContact CD1-CG 3.99Å; I755-F834 HydrophobicContact CD1-CZ 4.38Å; I755-F834 HydrophobicContact CG2-CB 4.47Å; L805-F834 HydrophobicContact CD1-CD1 4.23Å; L805-F834 HydrophobicContact CD1-CE1 4.31Å; L811-F834 HydrophobicContact CB-CE1 4.13Å; L811-F834 HydrophobicContact CB-CZ 4.07Å; N812-F834 HydrophobicContact CB-CD1 4.39Å; N812-F834 HydrophobicContact CB-CE1 3.78Å; N812-F834 HydrophobicContact CB-CE2 4.14Å; N812-F834 HydrophobicContact CB-CZ 3.66Å; N812-F834 PolarHBondContact ND2-O 3.43Å; L814-F834 HydrophobicContact CD1-CD1 4.03Å; L814-F834 HydrophobicContact CD1-CE1 4.35Å; L814-F834 HydrophobicContact CD2-CE1 4.43Å; L814-F834 HydrophobicContact CG-CD1 4.1Å; L814-F834 HydrophobicContact CG-CE1 4.11Å; Y832-F834 HydrophobicContact CD1-CB 4.44Å; Y832-F834 HydrophobicContact CE1-CB 3.92Å
835I78.6Confident65.7Low74 Ų7477.3 Ų77.338%0.37939%0.385SS..  trans-85.5114.1177.8-57.2172.6000109.2Q746 Y959Q746-I835 PolarHBondContact NE2-O 2.8Å; I835-Y959 HydrophobicContact CD1-CD2 3.73Å; I835-Y959 HydrophobicContact CD1-CE1 4.49Å; I835-Y959 HydrophobicContact CD1-CE2 3.68Å; I835-Y959 HydrophobicContact CD1-CG 4.16Å
836S65.6Low63.5Low21 Ų2179.8 Ų79.815%0.14740%0.398CS..  trans-90.2131.5176.5179.10000112.2N807 S838N807-S836 VanDerWaalsContact OD1-CA 3.24Å; N807-S836 WeakPolarHBondContact OD1-CA 3.31Å; N807-S836 VanDerWaalsContact OD1-CB 3.29Å; N807-S836 WeakPolarHBondContact OD1-CB 3.38Å; N807-S836 PolarHBondContact OD1-OG 3.31Å; S836-S838 PolarHBondContact OG-OG 2.9Å
837L61.1Low60.9Low48 Ų4884.4 Ų84.425%0.25143%0.427SS..SBendtrans-87.9-4179-71.3165.1000114.4Y750 N807 N839Y750-L837 HydrophobicContact CD1-CD1 3.59Å; Y750-L837 HydrophobicContact CD1-CG 4.44Å; Y750-L837 HydrophobicContact CE1-CD1 4.47Å; Y750-L837 HydrophobicContact CG-CD1 3.88Å; N807-L837 PolarHBondContact ND2-N 3.21Å; N807-L837 PolarHBondContact OD1-N 3.47Å; L837-N839 VanDerWaalsContact C-N 3.26Å; L837-N839 PolarHBondContact O-N 2.88Å
838S54.8Low58.1Low72 Ų7288.5 Ų88.550%0.50345%0.453SS..THydrogen-bonded Turntrans-75.3-10.4-173.8550000114.3S836 K840S836-S838 PolarHBondContact OG-OG 2.9Å; S838-K840 PolarHBondContact O-N 2.91Å
839N47.7Very low55.1Low55 Ų5594.4 Ų94.429%0.29449%0.485SS..THydrogen-bonded Turntrans-98.534.6179.9-94.6-23.8000113.9E809 L837 Y841E809-N839 PolarHBondContact OE1-ND2 2.82Å; L837-N839 VanDerWaalsContact C-N 3.26Å; L837-N839 PolarHBondContact O-N 2.88Å; N839-Y841 PolarHBondContact O-N 3.3Å
840K41.9Very low52.3Low144 Ų14496.9 Ų96.963%0.62650%0.499SS*.THydrogen-bonded Turntrans-66.9-9.3-179-92.6-177.4177.9-179.60115.6S838S838-K840 PolarHBondContact O-N 2.91Å
841Y39.2Very low49.3Very low209 Ų20998.6 Ų98.682%0.8251%0.512SS*.THydrogen-bonded Turntrans-117.5-14.4-175.5-74.8-80000116.8N839N839-Y841 PolarHBondContact O-N 3.3Å
842D37.2Very low46.5Very low128 Ų12899.1 Ų99.168%0.68453%0.525SS*.THydrogen-bonded Turntrans-104.5-5.5-178.8-81.7-24.2000115.2
843R34.3Very low43.6Very low178 Ų178106.3 Ų106.367%0.67256%0.559SS**SBendtrans-95.86.1-179.8-66.7-170.1-171.4-176.35.2115.2
844L34.7Very low40.7Very low147 Ų147106.8 Ų106.877%0.7757%0.566SS**SBendtrans-90-2.5-178.3-79.5158.7000114.7
845T32.1Very low38.1Very low137 Ų137114.4 Ų114.484%0.8460%0.599SS**SBendtrans-134.59.3-176.151.80000115.7
846S28.6Very low35.6Very low78 Ų78117.8 Ų117.855%0.54562%0.617SS.*  trans-137.9114.1165.856.90000109.4P848S846-P848 WeakPolarHBondContact O-CD 3.35Å; S846-P848 VanDerWaalsContact O-N 3.16Å
847T27.6Very low33.6Very low123 Ų123121.8 Ų121.876%0.75563%0.633SS**  trans-59.4112.5162.841.50000107.2N849T847-N849 VanDerWaalsContact C-N 3.33Å; T847-N849 PolarHBondContact O-N 2.93Å
848P28.3Very low31.9Very low93 Ų93124.7 Ų124.760%0.60464%0.643SS**  trans-73.1105162.133.2-26000103.9S846 I850S846-P848 WeakPolarHBondContact O-CD 3.35Å; S846-P848 VanDerWaalsContact O-N 3.16Å; P848-I850 HydrophobicContact CB-CD1 3.91Å; P848-I850 HydrophobicContact CB-CG1 3.99Å; P848-I850 HydrophobicContact CG-CD1 4.1Å; P848-I850 PolarHBondContact O-N 3.33Å
849N25.4Very low30.5Very low155 Ų155129 Ų12983%0.82966%0.655SS**  trans-61.277.1157.8-81.2-21.4000106.5T847 S851T847-N849 VanDerWaalsContact C-N 3.33Å; T847-N849 PolarHBondContact O-N 2.93Å; N849-S851 VanDerWaalsContact C-N 3.33Å; N849-S851 PolarHBondContact O-N 3.18Å
850I28.2Very low29.4Very low99 Ų99130.1 Ų130.151%0.50866%0.661SS.*  trans-84.693.8162.4-66.9159000103.2P848 T852 F855P848-I850 HydrophobicContact CB-CD1 3.91Å; P848-I850 HydrophobicContact CB-CG1 3.99Å; P848-I850 HydrophobicContact CG-CD1 4.1Å; P848-I850 PolarHBondContact O-N 3.33Å; I850-T852 PolarHBondContact O-N 3.08Å; I850-F855 HydrophobicContact CG2-CD2 3.6Å; I850-F855 HydrophobicContact CG2-CE2 3.58Å
851S24.8Very low28.6Very low54 Ų54125.5 Ų125.538%0.37865%0.646SS.*  trans-42.7114.7157.930.60000107.7N849 E853 D854N849-S851 VanDerWaalsContact C-N 3.33Å; N849-S851 PolarHBondContact O-N 3.18Å; S851-E853 PolarHBondContact O-N 3.03Å; S851-D854 PolarHBondContact O-N 3.4Å; S851-D854 VanDerWaalsContact O-N 3.13Å; S851-D854 PolarHBondContact OG-OD2 2.77Å
852T28.6Very low28.1Very low132 Ų132120.8 Ų120.881%0.8163%0.634SS**THydrogen-bonded Turntrans-62.810.4170.630.40000113.3I850I850-T852 PolarHBondContact O-N 3.08Å
853E26.9Very low27.6Very low161 Ų161114.9 Ų114.975%0.75260%0.604SS**THydrogen-bonded Turntrans-110.7-10.8175.8-69.9-177.5161.100113.5S851S851-E853 PolarHBondContact O-N 3.03Å
854D26.6Very low27.4Very low128 Ų128110 Ų11068%0.68459%0.586SS**SBendtrans-96.50.3-177-79.5-44.2000115.1S851S851-D854 PolarHBondContact O-N 3.4Å; S851-D854 VanDerWaalsContact O-N 3.13Å; S851-D854 PolarHBondContact OG-OD2 2.77Å
855F28.7Very low27.1Very low167 Ų167106.5 Ų106.573%0.73257%0.571SS**SBendtrans-107.27.4-176-90.7-85.8000115.6I850I850-F855 HydrophobicContact CG2-CD2 3.6Å; I850-F855 HydrophobicContact CG2-CE2 3.58Å
856I25.7Very low27Very low145 Ų145104 Ų10474%0.74455%0.549SS*.SBendtrans-104.3-5-175-69.8178.1000114.4
857Q23.9Very low27Very low105 Ų105105.3 Ų105.349%0.49155%0.55SS..  trans-134.2123.5-170.5-70.7-169.1-1400116.9
858K24.8Very low27Very low108 Ų108106.2 Ų106.247%0.4755%0.549SS..  trans90.795162.5-57.8155.7-175.6146.10114.5P975K858-P975 HydrophobicContact CG-CB 4.07Å
859E25.7Very low26.9Very low162 Ų162106.9 Ų106.976%0.75755%0.551SS**  17790.9116.4-91.5-179.7171.400111.1
860I25.7Very low27Very low80 Ų80108 Ų10841%0.4155%0.551SS.*  trans44.4103.8138.3-44.4121000117.9I862 P978I860-I862 VanDerWaalsContact C-N 3.35Å; I860-I862 HydrophobicContact CB-CG1 4.25Å; I860-I862 HydrophobicContact CG2-CB 4.45Å; I860-I862 HydrophobicContact CG2-CG1 3.47Å; I860-I862 VanDerWaalsContact CG2-CG1 3.47Å; I860-I862 PolarHBondContact O-N 2.82Å; I860-P978 HydrophobicContact CD1-CB 3.36Å; I860-P978 HydrophobicContact CD1-CG 3.29Å; I860-P978 HydrophobicContact CG1-CB 4.3Å; I860-P978 HydrophobicContact CG1-CG 3.68Å; I860-P978 HydrophobicContact CG2-CG 4.44Å
861S25.1Very low26.9Very low46 Ų46112 Ų11232%0.32257%0.568SS.*  trans-50.8100.3138.8164.30000108.2G863 T865S861-G863 PolarHBondContact O-N 2.89Å; S861-G863 PolarHBondContact OG-N 2.82Å; S861-T865 PolarHBondContact OG-OG1 3.14Å
862I27.2Very low26.9Very low110 Ų110114.9 Ų114.956%0.56459%0.587SS**  trans-86.165.7162.3-54.5176.5000105.8H829 I860H829-I862 PolarHBondContact CD2-O 2.84Å; I860-I862 VanDerWaalsContact C-N 3.35Å; I860-I862 HydrophobicContact CB-CG1 4.25Å; I860-I862 HydrophobicContact CG2-CB 4.45Å; I860-I862 HydrophobicContact CG2-CG1 3.47Å; I860-I862 VanDerWaalsContact CG2-CG1 3.47Å; I860-I862 PolarHBondContact O-N 2.82Å
863G26.3Very low26.8Very low4 Ų4117.6 Ų117.64%0.04159%0.59CS.*SBendtrans-132.571.5169.200000107.1D827 S861 T865D827-G863 WeakPolarHBondContact O-CA 3.45Å; S861-G863 PolarHBondContact O-N 2.89Å; S861-G863 PolarHBondContact OG-N 2.82Å; G863-T865 PolarHBondContact O-N 2.82Å; G863-T865 PolarHBondContact O-OG1 2.7Å
864Y31.1Very low26.8Very low75 Ų75115.2 Ų115.229%0.29459%0.591SS.*  trans33.522.5177.7-68.8-65.2000120.3L676 N677 G825 E866L676-Y864 VanDerWaalsContact C-CE1 3.42Å; L676-Y864 HydrophobicContact CB-CE1 4.5Å; L676-Y864 HydrophobicContact CB-CE2 3.72Å; L676-Y864 VanDerWaalsContact CB-CZ 3.46Å; L676-Y864 WeakPolarHBondContact CB-OH 3.48Å; L676-Y864 WeakPolarHBondContact O-CE1 3.33Å; L676-Y864 PolarHBondContact O-OH 2.81Å; N677-Y864 HydrophobicContact CB-CE1 3.95Å; N677-Y864 PolarHBondContact N-OH 2.84Å; G825-Y864 VanDerWaalsContact CA-CD2 3.44Å; Y864-E866 WeakPolarHBondContact O-CG 3.4Å; Y864-E866 PolarHBondContact O-N 2.88Å
865T28.2Very low26.9Very low75 Ų75114.3 Ų114.346%0.4659%0.592SS.*  trans-84.984.6179.239.60000111.4S861 G863S861-T865 PolarHBondContact OG-OG1 3.14Å; G863-T865 PolarHBondContact O-N 2.82Å; G863-T865 PolarHBondContact O-OG1 2.7Å
866E30.4Very low26.8Very low83 Ų83112 Ų11239%0.38859%0.593SS.*  44.188.6115.6-53.9-166.6167.700117.9T704 C705 S706 Y864T704-E866 WeakPolarHBondContact CA-OE1 3.33Å; T704-E866 WeakPolarHBondContact CB-OE1 3.35Å; T704-E866 WeakPolarHBondContact CB-OE2 3.47Å; T704-E866 HydrophobicContact CG2-CB 3.54Å; T704-E866 HydrophobicContact CG2-CG 3.19Å; T704-E866 WeakPolarHBondContact CG2-OE1 3.4Å; T704-E866 VanDerWaalsContact CG2-OE2 3.3Å; T704-E866 WeakPolarHBondContact CG2-OE2 3.48Å; C705-E866 PolarHBondContact N-OE1 2.6Å; C705-E866 VanDerWaalsContact N-OE1 3.1Å; S706-E866 WeakPolarHBondContact CB-OE2 3.4Å; Y864-E866 WeakPolarHBondContact O-CG 3.4Å; Y864-E866 PolarHBondContact O-N 2.88Å
867L27.4Very low26.9Very low106 Ų106115.4 Ų115.456%0.55560%0.596SS**  trans-111116.8167.4-86.9165.9000111.7
868I27.5Very low27.1Very low143 Ų143116.6 Ų116.673%0.73361%0.606SS**  trans-74124.7173.5-60.4168000109.3Q870I868-Q870 HydrophobicContact CG2-CG 4.31Å
869T26.8Very low27.3Very low107 Ų107118 Ų11866%0.65662%0.617SS**  trans-110.1111.9163.949.10000110.3
870Q28.5Very low27.5Very low177 Ų177117.6 Ų117.683%0.82762%0.62SS**  trans-100.5131.2163.7-75.1-172.4-400110.5I868I868-Q870 HydrophobicContact CG2-CG 4.31Å
871Q25.5Very low27.8Very low185 Ų185118.6 Ų118.686%0.86463%0.634SS**  trans-91.9126.4167-74.1-178.2-17.800109.1
872C24.9Very low27.8Very low114 Ų114122.2 Ų122.277%0.7765%0.654SS**  trans-144.4105.2161-94.90000112.1
873Q26Very low27.8Very low188 Ų188125 Ų12588%0.87967%0.67SS**  trans47.4114.9132.8-59179.6-0.900120.4
874S26.6Very low27.8Very low111 Ų111128 Ų12878%0.77670%0.702SS**  trans-76.2162.916856.60000113.6
875P29.1Very low27.6Very low109 Ų109132.3 Ų132.371%0.70873%0.73SS**  -144.214211135.9-20.1000116.9
876T26.9Very low27.5Very low120 Ų120136 Ų13674%0.73675%0.747SS**  trans65137.3140580000119.8
877R26.9Very low27.3Very low216 Ų216141.6 Ų141.682%0.81577%0.77SS**  cis-171.6155.936.8-122.5157.3-169.7-170.86.4111.9
878N29.5Very low27.1Very low129 Ų129144.4 Ų144.469%0.6978%0.784SS**  trans7994.3152.7-59.4-9.8000118.7
879I28.1Very low27Very low139 Ų139143.6 Ų143.671%0.71378%0.782SS**  77106.571.9-62163.4000111.8
880D30.3Very low26.8Very low152 Ų152146.4 Ų146.481%0.81379%0.792SS**  -159.4120.9117.1-98.1-27.4000114
881S30.8Very low26.6Very low101 Ų101147.1 Ų147.171%0.70679%0.787SS**  trans44.992.1148.155.80000123.8
882T26.6Very low26.5Very low123 Ų123144.1 Ų144.176%0.75578%0.783SS**  -2.7133.1126.452.50000121.3
883N26.9Very low26.4Very low167 Ų167145.8 Ų145.889%0.89378%0.78SS**  -176.5136.7108.8-96-17.2000112.3
884G26.6Very low26.3Very low68 Ų68142.9 Ų142.970%0.70178%0.778SS**  trans12580.8153.600000117.6D886G884-D886 PolarHBondContact O-N 3.24Å
885N26Very low26.3Very low165 Ų165143.4 Ų143.488%0.88278%0.776SS**  trans7.7105.1146.4-65.9-28.8000118.3
886D26.6Very low26.1Very low153 Ų153144 Ų14482%0.81878%0.783SS**  trans-143.4123.7151.2-98.2-31.7000112.7G884 L888G884-D886 PolarHBondContact O-N 3.24Å; D886-L888 PolarHBondContact O-N 3.49Å
887K25.2Very low26Very low201 Ų201142.1 Ų142.187%0.87478%0.775SS**  trans-67.6102.5174.3-75.7173.5173.7175.50108.9N889K887-N889 PolarHBondContact O-N 3.09Å
888L24Very low26Very low164 Ų164141.9 Ų141.986%0.85978%0.78SS**  trans-79.6110.3174.2-95.9135000111.3D886D886-L888 PolarHBondContact O-N 3.49Å
889N24.3Very low25.7Very low127 Ų127141.4 Ų141.468%0.67978%0.776SS**  trans-55.8130.7173.2-72.3-33.9000111.6K887 W891K887-N889 PolarHBondContact O-N 3.09Å; N889-W891 VanDerWaalsContact C-N 3.34Å; N889-W891 PolarHBondContact O-N 2.83Å
890L23.2Very low25.5Very low165 Ų165140 Ų14086%0.86477%0.77SS**SBendtrans-89.614.1-170.6-96.8150.6000115.4
891W24.1Very low25.3Very low192 Ų192139.6 Ų139.673%0.72777%0.768SS**SBendtrans-146.9138.5164-66.876.8000105.4N889 E893N889-W891 VanDerWaalsContact C-N 3.34Å; N889-W891 PolarHBondContact O-N 2.83Å; W891-E893 PolarHBondContact O-N 2.81Å; W891-E893 VanDerWaalsContact O-N 3.12Å
892P23Very low25.2Very low122 Ų122142.5 Ų142.579%0.79277%0.774SS**  trans-61.4119.6165.226.2-28.3000107
893E23.8Very low25.2Very low149 Ų149143.4 Ų143.470%0.69677%0.774SS**  trans-58.1144.1163.8-71.9-160.9158.900108.1W891 T895W891-E893 PolarHBondContact O-N 2.81Å; W891-E893 VanDerWaalsContact O-N 3.12Å; E893-T895 VanDerWaalsContact C-N 3.31Å; E893-T895 PolarHBondContact O-N 2.79Å
894P24.6Very low25.1Very low128 Ų128146.7 Ų146.783%0.83177%0.774SS**  trans-66.397.7169.527.8-29.1000106.8S896P894-S896 PolarHBondContact O-N 2.83Å
895T26.4Very low25.3Very low121 Ų121148.6 Ų148.674%0.74278%0.776SS**  trans-67.5104.6177.633.90000109.1E893 S897E893-T895 VanDerWaalsContact C-N 3.31Å; E893-T895 PolarHBondContact O-N 2.79Å; T895-S897 VanDerWaalsContact C-N 3.3Å; T895-S897 PolarHBondContact O-N 3.5Å
896S24.7Very low25.4Very low122 Ų122147.6 Ų147.685%0.85377%0.771SS**  trans-58.388.116155.30000110P894P894-S896 PolarHBondContact O-N 2.83Å
897S24.9Very low25.6Very low81 Ų81146.4 Ų146.457%0.56677%0.765SS**  trans-164.796.3163.157.20000108.7T895T895-S897 VanDerWaalsContact C-N 3.3Å; T895-S897 PolarHBondContact O-N 3.5Å
898F25.6Very low25.8Very low211 Ų211142.7 Ų142.793%0.92575%0.754SS**  trans-178.459.1143.1-95.4-67.6000107.7
899I24.1Very low26.3Very low119 Ų119142 Ų14261%0.6175%0.751SS**  trans-122.9135.6154.5-50.4174.7000105.2W1034I899-W1034 HydrophobicContact CB-CE3 4.47Å; I899-W1034 HydrophobicContact CB-CH2 3.27Å; I899-W1034 HydrophobicContact CB-CZ2 4.38Å; I899-W1034 HydrophobicContact CB-CZ3 3.32Å; I899-W1034 HydrophobicContact CD1-CE3 4.2Å; I899-W1034 HydrophobicContact CD1-CH2 4.3Å; I899-W1034 HydrophobicContact CD1-CZ3 3.42Å; I899-W1034 VanDerWaalsContact CD1-CZ3 3.42Å; I899-W1034 HydrophobicContact CG1-CH2 4.32Å; I899-W1034 HydrophobicContact CG1-CZ3 3.87Å; I899-W1034 HydrophobicContact CG2-CH2 3.2Å; I899-W1034 HydrophobicContact CG2-CZ2 4.42Å; I899-W1034 HydrophobicContact CG2-CZ3 3.48Å; I899-W1034 VanDerWaalsContact CG2-CZ3 3.48Å
900N24.8Very low26.4Very low110 Ų110142.5 Ų142.559%0.58875%0.754SS**  trans104.1124.2179.5-67.11000116.9W1034N900-W1034 WeakPolarHBondContact ND2-CZ2 3.44Å; N900-W1034 WeakPolarHBondContact OD1-CH2 3.36Å
901N25.7Very low26.8Very low142 Ų142142.1 Ų142.176%0.75975%0.753SS**  trans88.196.8159.4-52.9-25000114.8
902I28.8Very low26.9Very low163 Ų163137.2 Ų137.284%0.83675%0.745SS**  -170.4119.783.9-85.4155.2000109.2
903N25.5Very low27.2Very low141 Ų141140.9 Ų140.975%0.75475%0.748SS**  trans-64.7161.7165.4-75.3-57.4000111.9
904R26Very low27.4Very low237 Ų237141.2 Ų141.289%0.89475%0.754SS**  trans83.8124.2163.3-54.6171.5-179.5-179.2-1.4112.5
905S30Very low27.4Very low107 Ų107142.1 Ų142.175%0.74875%0.752SS**  cis-166.7137.536.6350000111.1
906N27.4Very low27.4Very low145 Ų145144.8 Ų144.878%0.77576%0.761SS**  trans27.5126.9135.9-62.43.7000117.4
907D32.7Very low27.5Very low127 Ų127148.5 Ų148.568%0.67976%0.761SS**  -176.9134.765-102.2-34.6000111.2
908N29.5Very low27.5Very low124 Ų124151.8 Ų151.866%0.66377%0.772SS**  trans41.7107.7133.9-53.1-25.9000120.2
909N33.1Very low27.6Very low148 Ų148147.9 Ų147.979%0.79177%0.768SS**  173.213892.4-91.7-33.6000113.5
910N27.7Very low27.7Very low139 Ų139149.9 Ų149.974%0.74378%0.779SS**  trans-29.6128.7171.5-58-41.4000117.3
911D31.5Very low27.8Very low156 Ų156150.1 Ų150.183%0.83478%0.784SS**  -172.4148.3104.3-96.9-28000113.9
912T26.4Very low28Very low90 Ų90149.3 Ų149.355%0.55279%0.787SS**  trans-58.4118.7-168.641.80000117
913F28.5Very low27.8Very low198 Ų198148.4 Ų148.487%0.86878%0.782SS**  trans-152.7127.5147.5-98.7-82.3000110.6N915F913-N915 PolarHBondContact O-N 3.43Å
914L27.4Very low28Very low156 Ų156148.3 Ų148.382%0.81779%0.786SS**  trans-67.895.5178.2-92.4142.8000110.4
915N25.6Very low28.1Very low148 Ų148143.5 Ų143.579%0.79178%0.778SS**  trans-92.2107.4167.9-85.4-33.7000110F913F913-N915 PolarHBondContact O-N 3.43Å
916L26.4Very low27.9Very low177 Ų177148.2 Ų148.293%0.92779%0.786SS**  trans-79.8115.1157.4-100.7151000107.7
917K25.4Very low28.1Very low199 Ų199148 Ų14887%0.86579%0.79SS**PPolyproline II helixtrans-70122-171.6-76.2174.7172.51770112.1
918L24.7Very low27.8Very low151 Ų151151.7 Ų151.779%0.79180%0.8SS**PPolyproline II helixtrans-62.3140.8160.9-70.3141.4000110.8L920L918-L920 PolarHBondContact O-N 3.33Å
919P28.4Very low27.8Very low128 Ų128154.7 Ų154.783%0.83181%0.81SS**PPolyproline II helixtrans-76.4116.4160.310.35.5000108.9
920L26.3Very low27.5Very low161 Ų161152.6 Ų152.684%0.84381%0.807SS**PPolyproline II helixtrans-64.8132.3179.4-70.9152.3000111.8L918L918-L920 PolarHBondContact O-N 3.33Å
921T26.6Very low27.5Very low115 Ų115150.7 Ų150.771%0.70680%0.804SS**PPolyproline II helixtrans-54.1137.5158.947.80000111.1I923T921-I923 PolarHBondContact O-N 2.58Å
922P29.4Very low27.3Very low126 Ų126154.7 Ų154.782%0.81881%0.808SS**  trans-75.9112.5175.228.9-29.2000110.6
923I25.4Very low27.5Very low143 Ų143160 Ų16073%0.73383%0.826SS**  trans-68.8119.2163.5-65.2168.2000107.7T921 N925T921-I923 PolarHBondContact O-N 2.58Å; I923-N925 PolarHBondContact O-N 3.35Å
924V30.2Very low27.3Very low139 Ų139158.1 Ų158.184%0.84283%0.825SS**  trans-82.4109.5168.9176.90000108.8
925N27.5Very low27.4Very low136 Ų136158.4 Ų158.473%0.72783%0.827SS**  trans-68.7139.3171.9-92.1-28.2000111.9I923I923-N925 PolarHBondContact O-N 3.35Å
926K26.3Very low27.5Very low207 Ų207160.8 Ų160.890%0.983%0.83SS**  trans-63.7128.1168.4-68.8174175.7174.90110.6
927T31.1Very low27.5Very low141 Ų141160.1 Ų160.187%0.86583%0.827SS**  trans-137.1130156.5330000111.3
928K25.9Very low27.6Very low204 Ų204159.9 Ų159.989%0.88783%0.829SS**  trans-65.7143.2179-66.2169172.1175.70111.3
929Q29.5Very low27.7Very low186 Ų186161.7 Ų161.787%0.86983%0.83SS**  -170.6129.3129.8-105.7166.53.300112.3
930S26.6Very low27.5Very low104 Ų104162.2 Ų162.273%0.72784%0.835SS**  trans-12.7149.4150.5510000117.1
931S28.1Very low27.6Very low100 Ų100160.5 Ų160.570%0.69983%0.832SS**  cis-178.7149.430.334.70000110.4
932R26.7Very low27.7Very low240 Ų240164 Ų16491%0.90684%0.842SS**  trans49.2113.8143-66.3179.7176.7179.9-0.9119.4
933Q30.8Very low27.8Very low201 Ų201164 Ų16494%0.93984%0.835SS**  -163.1120.8117.4-103.7170.414.600110.4
934N25.6Very low28Very low159 Ų159164.5 Ų164.585%0.8584%0.838SS**  trans-72.9146.4176.3-76.1-43.2000111.1
935L28.7Very low28.3Very low162 Ų162166 Ų16685%0.84884%0.836SS**  trans-160.5100.9140.8-100.8143.1000112.1
936K28.6Very low28.6Very low197 Ų197164.2 Ų164.286%0.85783%0.834SS**  trans51.298.6145.6-66.9-179.2177.8178.60120.3
937L24.9Very low28.9Very low163 Ų163161.4 Ų161.485%0.85383%0.828SS**PPolyproline II helixtrans-80.1133.4156.8-86.1137.9000111.7
938Q28.7Very low28.9Very low195 Ų195165.6 Ų165.691%0.91183%0.828SS**PPolyproline II helixtrans-100.4116.2163.9-143.6174.55.900107.7
939K26.2Very low29.2Very low188 Ų188163.1 Ų163.182%0.81782%0.824SS**PPolyproline II helixtrans-73139-177.6-72.5175.7173.3178.70111.5
940C25.3Very low29.3Very low139 Ų139161.2 Ų161.294%0.93982%0.815SS**  trans-111.3133.2144.6-100.40000108.7
941T27.4Very low29.5Very low126 Ų126162.1 Ų162.177%0.77382%0.817SS**  trans-106.5135.6-176.928.10000109
942M28.7Very low29.6Very low188 Ų188165.7 Ų165.793%0.92682%0.823SS**  trans-138.4138.8163.9-95.8-103.9-75.200109.1
943N32Very low29.6Very low125 Ų125159.7 Ų159.767%0.66881%0.813SS**  trans-87.7124.8-150.7-166.5-7.4000113.3Q945N943-Q945 PolarHBondContact O-N 3.27Å
944I30.2Very low29.5Very low154 Ų154157.1 Ų157.179%0.7980%0.801SS**THydrogen-bonded Turntrans-91.564.8-176.3-53.7174.6000110.4
945Q35Very low29.9Very low171 Ų171158.9 Ų158.980%0.79980%0.797SS**THydrogen-bonded Turntrans-132.42.5172.6-87.9177.5-23.300114.7N943N943-Q945 PolarHBondContact O-N 3.27Å
946S33.5Very low30.2Very low99 Ų99159.6 Ų159.669%0.69279%0.793SS**SBendtrans-107.4-0.1179.251.40000115.8
947L32.7Very low30.3Very low147 Ų147155.3 Ų155.377%0.7778%0.783SS**SBendtrans-111.413.2-173.8-96.6141.7000115.1
948R32.3Very low30.9Very low229 Ų229150.3 Ų150.386%0.86476%0.76SS**SBendtrans-99.5-1.2179.2-89.4-178.6173.2168.6-2115.6
949N32.5Very low31.9Very low152 Ų152147 Ų14781%0.81374%0.74SS**SBendtrans-123.326.6-176.6-73.3-3.3000114.7
950Q30.6Very low32.8Very low146 Ų146143.6 Ų143.668%0.68273%0.726SS**  trans-123.153.8170.7-72.8-176-15.100110.5
951T30.9Very low34.1Very low123 Ų123141.8 Ų141.876%0.75570%0.702SS**  trans-76.8124.9151.443.50000106.7
952E29.8Very low34.7Very low176 Ų176143.3 Ų143.382%0.82269%0.694SS**SBendtrans82.8120.1-176-52.1177.6171.300113.7
953T27.2Very low35.5Very low114 Ų114140.7 Ų140.770%0.69967%0.674SS**  trans92.4125.3178.174.70000117.3
954H29.3Very low35.7Very low147 Ų147137.8 Ų137.868%0.68166%0.661SS**  trans99.478.2172.6-59.3-74000119.9
955Y32.7Very low36.2Very low196 Ų196133.4 Ų133.477%0.76964%0.642SS**  trans-12148149.3-73.6-77.4000110.8
956K34.8Very low36Very low176 Ų176131.5 Ų131.577%0.76564%0.642SS**  trans-103.8-5.7-174.8-81.5-171175.3-177.10115.5S748S748-K956 PolarHBondContact OG-O 3.37Å; S748-K956 VanDerWaalsContact OG-O 3.13Å
957T31Very low35.7Very low108 Ų108132.6 Ų132.666%0.66364%0.64SS**  trans-92.4125.4-178.422.80000112
958P37.5Very low35.5Very low57 Ų57130 Ų13037%0.3764%0.635SS.*  trans-68.1143.4175.426.9-32.1000111.5E745E745-P958 HydrophobicContact CG-CB 4.04Å; E745-P958 WeakPolarHBondContact OE1-CB 3.37Å; E745-P958 WeakPolarHBondContact OE1-CG 3.35Å
959Y49.7Very low35.3Very low125 Ų125125.7 Ų125.749%0.4963%0.634SS.*EExtended strand (participates in β ladder)trans-90.6108.9175-81-90.8000109.4E745 Q746 I835E745-Y959 WeakPolarHBondContact CA-O 3.29Å; Q746-Y959 PolarHBondContact N-O 3.49Å; Q746-Y959 VanDerWaalsContact N-O 3.09Å; Q746-Y959 PolarHBondContact O-N 2.82Å; I835-Y959 HydrophobicContact CD1-CD2 3.73Å; I835-Y959 HydrophobicContact CD1-CE1 4.49Å; I835-Y959 HydrophobicContact CD1-CE2 3.68Å; I835-Y959 HydrophobicContact CD1-CG 4.16Å
960K45Very low35Very low118 Ų118126.3 Ų126.351%0.51364%0.637SS.*EExtended strand (participates in β ladder)trans-105.4126.7-177.1-172.6170.2-179.8168.70111.2E743 E745E743-K960 WeakPolarHBondContact OE2-CE 3.26Å; E743-K960 IonicContact OE2-NZ 3.38Å; E743-K960 PolarHBondContact OE2-NZ 2.91Å; E745-K960 HydrophobicContact CB-CG 4.46Å; E745-K960 HydrophobicContact CG-CB 4.21Å
961F53.5Low34.8Very low100 Ų100128.1 Ų128.144%0.43965%0.646SS.*EExtended strand (participates in β ladder)trans-116.9122.9173.1-67.7-96.4000109.3E743 V744 Y832E743-F961 CarbonylContact C-O 3.55Å; E743-F961 WeakPolarHBondContact CA-O 3.43Å; V744-F961 PolarHBondContact N-O 3.01Å; V744-F961 PolarHBondContact O-N 3.11Å; Y832-F961 HydrophobicContact CD2-CD2 4.38Å; Y832-F961 HydrophobicContact CE2-CB 4.19Å; Y832-F961 AromaticContact CE2-CD2 3.45Å; Y832-F961 HydrophobicContact CE2-CD2 3.45Å; Y832-F961 VanDerWaalsContact CE2-CD2 3.45Å; Y832-F961 AromaticContact CE2-CE2 4Å; Y832-F961 HydrophobicContact CE2-CE2 4Å; Y832-F961 AromaticContact CE2-CG 3.99Å; Y832-F961 HydrophobicContact CE2-CG 3.99Å
962R40.4Very low34.5Very low158 Ų158130.9 Ų130.960%0.59665%0.65SS**EExtended strand (participates in β ladder)trans-111.1127.2177.6168.4-178.5-96-175.7-6.9109.1E743 T964E743-R962 HydrophobicContact CG-CB 3.98Å; E743-R962 HydrophobicContact CG-CG 3.96Å; E743-R962 IonicContact OE1-CZ 2.67Å; E743-R962 IonicContact OE1-NE 3.56Å; E743-R962 PolarHBondContact OE1-NE 2.97Å; E743-R962 IonicContact OE1-NH2 2.65Å; E743-R962 PolarHBondContact OE1-NH2 3.33Å; R962-T964 HydrophobicContact CG-CG2 3.83Å
963W44.2Very low34.4Very low133 Ų133129.9 Ų129.950%0.50465%0.645SS.*EExtended strand (participates in β ladder)trans-104117.8169.3-74.988.2000109.6L742 T830L742-W963 PolarHBondContact O-N 2.83Å; T830-W963 VanDerWaalsContact OG1-CZ2 3.29Å; T830-W963 WeakPolarHBondContact OG1-CZ2 3.29Å; T830-W963 PolarHBondContact OG1-NE1 2.86Å; T830-W963 VanDerWaalsContact OG1-NE1 3.13Å
964T36.7Very low34.3Very low65 Ų65129.8 Ų129.840%0.39965%0.65SS.*  trans-118.6136.7171.355.50000109.1E741 R962 T966E741-T964 VanDerWaalsContact OE1-CG2 3.25Å; E741-T964 WeakPolarHBondContact OE1-CG2 3.3Å; R962-T964 HydrophobicContact CG-CG2 3.83Å; T964-T966 PolarHBondContact O-N 3.02Å
965P40.8Very low34.2Very low62 Ų62126.7 Ų126.740%0.40364%0.643SS.*  trans-55.7124168-18.629.8000109.3N967P965-N967 PolarHBondContact O-N 2.91Å
966T30.9Very low33.9Very low130 Ų130125.5 Ų125.580%0.79864%0.641SS**  trans-71.3100.8-176470000110.9T964T964-T966 PolarHBondContact O-N 3.02Å
967N28Very low33.5Very low122 Ų122121.9 Ų121.965%0.65263%0.634SS**  trans-98.571.6166.7-77.2-9.5000110P965P965-N967 PolarHBondContact O-N 2.91Å
968S27.9Very low33.2Very low93 Ų93119 Ų11965%0.6562%0.617SS**  trans-172.7107.9169.552.30000114.8N970S968-N970 PolarHBondContact O-N 2.77Å
969T27.1Very low32.8Very low139 Ų139124.8 Ų124.885%0.85364%0.644SS**  trans5.875132.456.90000118.8
970N27.5Very low31.9Very low165 Ų165124 Ų12488%0.88265%0.648SS**  trans-143.2117152.2-99.1-22.6000110.8S968S968-N970 PolarHBondContact O-N 2.77Å
971E26.6Very low31.1Very low183 Ų183120.4 Ų120.486%0.85563%0.632SS**  trans-70.9155.6-179.1-62173.5155.800110.9
972Q24.6Very low30Very low182 Ų182120 Ų12085%0.8564%0.638SS**  trans91.378.1175.6-50.2-179.8200116.8
973Q27Very low29.8Very low154 Ų154115.3 Ų115.372%0.7263%0.629SS**  trans165.2116.7132.1-89163.11500109.9
974S24.3Very low29.4Very low113 Ų113112.2 Ų112.279%0.7962%0.622SS**PPolyproline II helixtrans-83125.1-179.949.10000112.1
975P28.4Very low29.3Very low82 Ų82111.9 Ų111.953%0.53262%0.617SS.*PPolyproline II helixtrans-85137.2168.35.612.2000110.7K858K858-P975 HydrophobicContact CG-CB 4.07Å
976K26.4Very low29Very low170 Ų170112.4 Ų112.474%0.73962%0.616SS**PPolyproline II helixtrans-66.6133.3178.7-67.2179.1177.7-179.40110.6
977T25.6Very low29.5Very low101 Ų101108.4 Ų108.462%0.6259%0.587SS**PPolyproline II helixtrans-56.7131.5-174.242.60000116.4Q981T977-Q981 VanDerWaalsContact CA-OE1 3.31Å
978P26.1Very low30Very low48 Ų48105 Ų10531%0.31257%0.567SS.*PPolyproline II helixtrans-85.2156.6165.337.3-38.8000113.7I860 I980 Q981I860-P978 HydrophobicContact CD1-CB 3.36Å; I860-P978 HydrophobicContact CD1-CG 3.29Å; I860-P978 HydrophobicContact CG1-CB 4.3Å; I860-P978 HydrophobicContact CG1-CG 3.68Å; I860-P978 HydrophobicContact CG2-CG 4.44Å; P978-I980 VanDerWaalsContact C-N 3.26Å; P978-I980 PolarHBondContact O-N 3.34Å; P978-Q981 PolarHBondContact O-N 3.17Å
979L27.7Very low30.5Very low178 Ų178108 Ų10893%0.93257%0.565SS**THydrogen-bonded Turntrans-65.723.8-167.1-90.8145.4000118.8
980I30.3Very low31.1Very low109 Ų109102.7 Ų102.756%0.55953%0.533SS*.THydrogen-bonded Turntrans-1182.5172.2-59176.1000112.3P978 T982P978-I980 VanDerWaalsContact C-N 3.26Å; P978-I980 PolarHBondContact O-N 3.34Å; I980-T982 VanDerWaalsContact C-N 3.35Å; I980-T982 PolarHBondContact O-N 3.13Å
981Q29.9Very low31.7Very low42 Ų4298.5 Ų98.520%0.19651%0.507CS..THydrogen-bonded Turntrans-80.42.2-176.1-79.2177-39.800116.5T977 P978 L985T977-Q981 VanDerWaalsContact CA-OE1 3.31Å; P978-Q981 PolarHBondContact O-N 3.17Å; Q981-L985 HydrophobicContact CB-CD1 4.06Å; Q981-L985 VanDerWaalsContact O-CB 3.29Å; Q981-L985 WeakPolarHBondContact O-CB 3.45Å; Q981-L985 WeakPolarHBondContact O-CG 3.48Å; Q981-L985 PolarHBondContact O-N 3.36Å; Q981-L985 VanDerWaalsContact O-N 3.1Å
982T29.5Very low32Very low91 Ų9194.2 Ų94.256%0.55850%0.496SS*.Hα-helixtrans-68.1-41.8-17840.60000112.7I980 D986I980-T982 VanDerWaalsContact C-N 3.35Å; I980-T982 PolarHBondContact O-N 3.13Å; T982-D986 WeakPolarHBondContact O-CB 3.12Å; T982-D986 PolarHBondContact O-N 2.64Å; T982-D986 VanDerWaalsContact O-OD2 3.13Å
983S35.7Very low32.5Very low59 Ų5993.5 Ų93.541%0.41349%0.49SS..Hα-helixtrans-70.1-37-178.472.60000113.5Y987S983-Y987 VanDerWaalsContact O-CB 3.24Å; S983-Y987 WeakPolarHBondContact O-CB 3.47Å; S983-Y987 PolarHBondContact O-N 3.05Å
984M37.4Very low32.8Very low69 Ų6991.5 Ų91.534%0.3449%0.485SS..Hα-helixtrans-76.4-40.1-179.8-166.3178.774.200111.8D986 Y987 M988M984-D986 VanDerWaalsContact C-N 3.31Å; M984-Y987 WeakPolarHBondContact O-CB 3.24Å; M984-Y987 PolarHBondContact O-N 2.99Å; M984-M988 WeakPolarHBondContact O-CG 3.42Å; M984-M988 PolarHBondContact O-N 3.15Å
985L34Very low33.1Very low57 Ų5790.5 Ų90.530%0.29848%0.478SS..Hα-helixtrans-66.5-34.2172.1-76.7166.2000111.5Q981 R989Q981-L985 HydrophobicContact CB-CD1 4.06Å; Q981-L985 VanDerWaalsContact O-CB 3.29Å; Q981-L985 WeakPolarHBondContact O-CB 3.45Å; Q981-L985 WeakPolarHBondContact O-CG 3.48Å; Q981-L985 PolarHBondContact O-N 3.36Å; Q981-L985 VanDerWaalsContact O-N 3.1Å; L985-R989 WeakPolarHBondContact O-CB 3.36Å; L985-R989 WeakPolarHBondContact O-CD 3.39Å; L985-R989 WeakPolarHBondContact O-CG 3.46Å; L985-R989 PolarHBondContact O-N 3.33Å
986D34.1Very low33Very low73 Ų7397.6 Ų97.639%0.3949%0.494SS..Hα-helixtrans-72.3-35.6173.4-71.8-23.5000112.1T982 M984 S990T982-D986 WeakPolarHBondContact O-CB 3.12Å; T982-D986 PolarHBondContact O-N 2.64Å; T982-D986 VanDerWaalsContact O-OD2 3.13Å; M984-D986 VanDerWaalsContact C-N 3.31Å; D986-S990 VanDerWaalsContact O-CB 3.23Å; D986-S990 WeakPolarHBondContact O-CB 3.29Å; D986-S990 PolarHBondContact O-N 3.39Å; D986-S990 PolarHBondContact O-OG 2.9Å
987Y41.1Very low33Very low47 Ų4797 Ų9718%0.18450%0.498CS..Hα-helixtrans-60.3-48.9171-179-89.1000110.9E695 I698 S983 M984 S990 K991E695-Y987 PolarHBondContact OE1-OH 3.19Å; E695-Y987 PolarHBondContact OE2-OH 3.46Å; I698-Y987 HydrophobicContact CG2-CE1 3.41Å; I698-Y987 VanDerWaalsContact CG2-CE1 3.41Å; I698-Y987 WeakPolarHBondContact CG2-OH 3.37Å; S983-Y987 VanDerWaalsContact O-CB 3.24Å; S983-Y987 WeakPolarHBondContact O-CB 3.47Å; S983-Y987 PolarHBondContact O-N 3.05Å; M984-Y987 WeakPolarHBondContact O-CB 3.24Å; M984-Y987 PolarHBondContact O-N 2.99Å; Y987-S990 PolarHBondContact O-OG 3.32Å; Y987-K991 PolarHBondContact O-N 3.1Å
988M39.1Very low33Very low49 Ų4999.5 Ų99.524%0.24151%0.506CS..Hα-helixtrans-69.4-43.8178.1-67.1-138.173.700113N701 M984 S990 K991 C992N701-M988 WeakPolarHBondContact OD1-CE 3.43Å; M984-M988 WeakPolarHBondContact O-CG 3.42Å; M984-M988 PolarHBondContact O-N 3.15Å; M988-S990 VanDerWaalsContact C-N 3.27Å; M988-S990 PolarHBondContact O-N 3.11Å; M988-K991 PolarHBondContact O-N 2.84Å; M988-C992 PolarHBondContact O-N 3.33Å
989R37.1Very low32.9Very low156 Ų156104.7 Ų104.759%0.58953%0.53SS*.Hα-helixtrans-66.7-26.6-179.7-76.6171.5178.5-177.80.3113.4L985L985-R989 WeakPolarHBondContact O-CB 3.36Å; L985-R989 WeakPolarHBondContact O-CD 3.39Å; L985-R989 WeakPolarHBondContact O-CG 3.46Å; L985-R989 PolarHBondContact O-N 3.33Å
990S41.4Very low32.7Very low28 Ų28101.2 Ų101.220%0.19652%0.518CS..Hα-helixtrans-77.2-34.9177.559.50000112.4R569 D986 Y987 M988 C992 K993 D994R569-S990 PolarHBondContact NE-OG 2.67Å; R569-S990 PolarHBondContact NH2-O 3.14Å; R569-S990 PolarHBondContact NH2-OG 2.84Å; D986-S990 VanDerWaalsContact O-CB 3.23Å; D986-S990 WeakPolarHBondContact O-CB 3.29Å; D986-S990 PolarHBondContact O-N 3.39Å; D986-S990 PolarHBondContact O-OG 2.9Å; Y987-S990 PolarHBondContact O-OG 3.32Å; M988-S990 VanDerWaalsContact C-N 3.27Å; M988-S990 PolarHBondContact O-N 3.11Å; S990-C992 VanDerWaalsContact C-N 3.32Å; S990-C992 PolarHBondContact O-N 3.1Å; S990-K993 PolarHBondContact O-N 2.95Å; S990-D994 PolarHBondContact O-N 3.08Å
991K38.8Very low32.5Very low77 Ų77102.6 Ų102.634%0.33553%0.532SS..Hα-helixtrans-67.1-31.2173.1-77.5-151.6179.8175.90112.4E695 Y987 M988 K993E695-K991 IonicContact OE2-NZ 2.75Å; E695-K991 PolarHBondContact OE2-NZ 3.19Å; E695-K991 VanDerWaalsContact OE2-NZ 3.08Å; Y987-K991 PolarHBondContact O-N 3.1Å; M988-K991 PolarHBondContact O-N 2.84Å; K991-K993 VanDerWaalsContact C-N 3.29Å; K991-K993 PolarHBondContact O-N 3.48Å
992C34.5Very low32.2Very low93 Ų93109.7 Ų109.763%0.62856%0.558SS**THydrogen-bonded Turntrans-73.8-11174.8-66.10000115.1M988 S990 S995M988-C992 PolarHBondContact O-N 3.33Å; S990-C992 VanDerWaalsContact C-N 3.32Å; S990-C992 PolarHBondContact O-N 3.1Å; C992-S995 PolarHBondContact O-OG 2.89Å
993K33.3Very low32.1Very low167 Ų167113 Ų11373%0.72657%0.565SS**THydrogen-bonded Turntrans-98.8-20.8178.3-77.1-176.4178.1179.50113.8S990 K991 S995S990-K993 PolarHBondContact O-N 2.95Å; K991-K993 VanDerWaalsContact C-N 3.29Å; K991-K993 PolarHBondContact O-N 3.48Å; K993-S995 VanDerWaalsContact C-N 3.33Å
994D33.5Very low31.6Very low113 Ų113117.2 Ų117.260%0.60458%0.578SS**SBendtrans-85-2.1178.3-70.7-30.5000113.2R569 S990 R996R569-D994 IonicContact CZ-OD2 2.9Å; R569-D994 IonicContact NH1-OD2 2.86Å; R569-D994 PolarHBondContact NH1-OD2 2.99Å; R569-D994 IonicContact NH2-OD2 3.06Å; R569-D994 PolarHBondContact NH2-OD2 2.81Å; S990-D994 PolarHBondContact O-N 3.08Å; D994-R996 VanDerWaalsContact C-N 3.32Å; D994-R996 PolarHBondContact O-N 2.9Å
995S30.1Very low31Very low91 Ų91119.3 Ų119.364%0.63660%0.595SS**  trans-86.424.9-179.852.70000115.6C992 K993C992-S995 PolarHBondContact O-OG 2.89Å; K993-S995 VanDerWaalsContact C-N 3.33Å
996R27Very low30.6Very low232 Ų232122.1 Ų122.188%0.87562%0.615SS**  trans-11062.7171.1-65.5-170.4-152.6-179.55.1112.4D994D994-R996 VanDerWaalsContact C-N 3.32Å; D994-R996 PolarHBondContact O-N 2.9Å
997L26.3Very low30.2Very low158 Ų158127.7 Ų127.783%0.82764%0.636SS**SBendtrans-139.3105.1163.3-81.7169.9000110.9
998I25.4Very low29.6Very low152 Ų152131.8 Ų131.878%0.77967%0.665SS**  trans77.283.7153.1-40.6174000117.7
999L24.2Very low29Very low157 Ų157138 Ų13882%0.82269%0.691SS**  trans-95.1126.8143.7-137.893.1000107.1T1001L999-T1001 PolarHBondContact O-N 3.04Å
1000P24.9Very low28.6Very low106 Ų106136.8 Ų136.869%0.68870%0.696SS**  trans-81.299.8176.330.5-28.3000109.3Y1002P1000-Y1002 PolarHBondContact O-N 3.32Å
1001T24.9Very low27.9Very low138 Ų138141.7 Ų141.785%0.84772%0.72SS**  trans-78113.9172.7-11.50000109.8L999L999-T1001 PolarHBondContact O-N 3.04Å
1002Y24.9Very low27.4Very low191 Ų191142.5 Ų142.575%0.74974%0.735SS**  trans-102.2127.1172.3-115.8-94.5000110.4P1000P1000-Y1002 PolarHBondContact O-N 3.32Å
1003K26.5Very low27Very low159 Ų159144.9 Ų144.969%0.69174%0.74SS**  trans67.4145.1155.7-72.7172.1-179.8178.90116
1004Q25.6Very low26.6Very low148 Ų148143 Ų14369%0.69274%0.737SS**  cis-17014215.8-128.7161.8-5.500107.6
1005T24.6Very low26.2Very low113 Ų113145.6 Ų145.669%0.69375%0.746SS**  trans45.8134.213854.30000119.5
1006T24.6Very low26.2Very low116 Ų116146.3 Ų146.371%0.71275%0.751SS**  cis175.7138.1414.70000110.3
1007K26.7Very low26.6Very low191 Ų191139.9 Ų139.983%0.8374%0.739SS**  trans40.5136139-64.9179.6177.8178.10122.4
1008V28.5Very low26.5Very low132 Ų132138.7 Ų138.780%0.873%0.734SS**  172.3101.4123.2166.30000107.3
1009K26.8Very low26.6Very low181 Ų181137.8 Ų137.879%0.78773%0.73SS**  69.2110.191.8-83.9-169.2179.2-172.50115
1010D28Very low26.7Very low129 Ų129137.1 Ų137.169%0.6973%0.728SS**  176126.496.3-89.8-26.5000113.8
1011N27.3Very low26.6Very low132 Ų132141.8 Ų141.871%0.70674%0.74SS**  trans66.2101.9130.8-60.3-19.3000122.7
1012S27.3Very low26.7Very low94 Ų94140 Ų14066%0.65773%0.731SS**  75.9121.7104.980.80000119.9
1013I27Very low26.7Very low142 Ų142135.9 Ų135.973%0.72873%0.73SS**  164116.2103.8-83.4159.1000110
1014L25.6Very low26.8Very low127 Ų127136.6 Ų136.667%0.66574%0.74SS**  trans42.2133.7134.8-67.6114.6000123.5
1015E24.3Very low26.7Very low168 Ų168137 Ų13779%0.78574%0.742SS**  96.6130.4126.9-79.7167.2-176.700121.5
1016S30.8Very low26.9Very low106 Ų106142 Ų14274%0.74175%0.754SS**  trans-47.2-171.2166.456.50000116.2
1017P34.5Very low26.9Very low97 Ų97142.4 Ų142.463%0.6375%0.75SS**  cis-129.3-175.3-2526-3000112.3
1018N23.9Very low26.8Very low134 Ų134137.7 Ų137.772%0.71774%0.742SS**  trans71.7119.1150.3-68.7-17.9000120.5
1019N27.1Very low26.6Very low132 Ų132143.3 Ų143.371%0.70675%0.748SS**  trans71.3144.6131.1-63.3-16.3000119.4
1020D26Very low26.4Very low143 Ų143143 Ų14377%0.76575%0.747SS**  trans84.269158.2-50.2-28.9000117.3
1021E24.8Very low26.2Very low205 Ų205148.9 Ų148.996%0.95876%0.76SS**  trans-11496.7139.6-95-166160.300110.2
1022P26Very low26Very low100 Ų100150.8 Ų150.865%0.64976%0.762SS**  trans-96.7137.4162.433.8-25.2000110.8
1023S24.9Very low25.8Very low105 Ų105155.9 Ų155.973%0.73477%0.772SS**  trans6494142.962.10000118.9
1024I27.6Very low25.6Very low174 Ų174155.3 Ų155.389%0.89276%0.761SS**  trans-117.8117.5136-65.3179.9000108.8K1026I1024-K1026 PolarHBondContact O-N 3.5Å
1025Q24.7Very low26Very low157 Ų157156.4 Ų156.473%0.73477%0.767SS**  trans-53.8117.5-175.2-61.5165-19.200112.5I1027Q1025-I1027 HydrophobicContact CB-CD1 4.26Å; Q1025-I1027 HydrophobicContact CB-CG1 4.06Å; Q1025-I1027 PolarHBondContact O-N 3.31Å
1026K27.7Very low26.4Very low216 Ų216151.3 Ų151.394%0.93975%0.749SS**  trans-95.986156.2-90.3-178178.1173.20109.5I1024I1024-K1026 PolarHBondContact O-N 3.5Å
1027I25.5Very low26.6Very low126 Ų126155 Ų15565%0.64676%0.755SS**  trans-59.5131.6173.3-71.1161.8000110.4Q1025Q1025-I1027 HydrophobicContact CB-CD1 4.26Å; Q1025-I1027 HydrophobicContact CB-CG1 4.06Å; Q1025-I1027 PolarHBondContact O-N 3.31Å
1028S24.9Very low26.3Very low92 Ų92157.4 Ų157.464%0.64376%0.762SS**  trans-34.3135.9164.656.30000115.1
1029R24.6Very low26.6Very low249 Ų249160.5 Ų160.594%0.9477%0.769SS**  trans-128.9101.6151.1-76.2-169.4177165.60.2111.6
1030K23.1Very low26.5Very low175 Ų175160.2 Ų160.276%0.76177%0.766SS**  trans-16.1132.2165.3-65.4172176.5178.70116.3F1032K1030-F1032 HydrophobicContact CB-CD2 4.49Å; K1030-F1032 PolarHBondContact O-N 3.49Å
1031R23.4Very low26.6Very low253 Ų253158.8 Ų158.896%0.95576%0.763SS**  trans-43.5121.3150-77.8176.2-179.11680.5109.1
1032F22Very low26.7Very low172 Ų172155.8 Ų155.875%0.75475%0.752SS**  trans-111.6110.7164.2-110.3-89.1000109.1K1030K1030-F1032 HydrophobicContact CB-CD2 4.49Å; K1030-F1032 PolarHBondContact O-N 3.49Å
1033K23.9Very low26.9Very low201 Ų201158.6 Ų158.687%0.87476%0.761SS**  trans-73.6130.4163-146.2-179.1-175.5-169.50105.7
1034W22.8Very low26.9Very low129 Ų129159 Ų15949%0.48976%0.759SS.*  trans-136.6112.2171.2-134.266.3000109I899 N900 P1036I899-W1034 HydrophobicContact CB-CE3 4.47Å; I899-W1034 HydrophobicContact CB-CH2 3.27Å; I899-W1034 HydrophobicContact CB-CZ2 4.38Å; I899-W1034 HydrophobicContact CB-CZ3 3.32Å; I899-W1034 HydrophobicContact CD1-CE3 4.2Å; I899-W1034 HydrophobicContact CD1-CH2 4.3Å; I899-W1034 HydrophobicContact CD1-CZ3 3.42Å; I899-W1034 VanDerWaalsContact CD1-CZ3 3.42Å; I899-W1034 HydrophobicContact CG1-CH2 4.32Å; I899-W1034 HydrophobicContact CG1-CZ3 3.87Å; I899-W1034 HydrophobicContact CG2-CH2 3.2Å; I899-W1034 HydrophobicContact CG2-CZ2 4.42Å; I899-W1034 HydrophobicContact CG2-CZ3 3.48Å; I899-W1034 VanDerWaalsContact CG2-CZ3 3.48Å; N900-W1034 WeakPolarHBondContact ND2-CZ2 3.44Å; N900-W1034 WeakPolarHBondContact OD1-CH2 3.36Å; W1034-P1036 HydrophobicContact CD2-CG 4.47Å; W1034-P1036 HydrophobicContact CE3-CG 3.87Å; W1034-P1036 HydrophobicContact CH2-CG 3.46Å; W1034-P1036 VanDerWaalsContact CH2-CG 3.46Å; W1034-P1036 HydrophobicContact CZ2-CG 4.2Å; W1034-P1036 VanDerWaalsContact CZ3-CD 3.44Å; W1034-P1036 HydrophobicContact CZ3-CG 3.27Å
1035D34.4Very low27.1Very low150 Ų150157.5 Ų157.580%0.80275%0.754SS**  trans-131.8125.2169.1-168.80.2000104.7
1036P32.4Very low27.2Very low61 Ų61156.3 Ų156.340%0.39675%0.752SS.*  trans-146.3117145.134.3-15.4000111.6W1034W1034-P1036 HydrophobicContact CD2-CG 4.47Å; W1034-P1036 HydrophobicContact CE3-CG 3.87Å; W1034-P1036 HydrophobicContact CH2-CG 3.46Å; W1034-P1036 VanDerWaalsContact CH2-CG 3.46Å; W1034-P1036 HydrophobicContact CZ2-CG 4.2Å; W1034-P1036 VanDerWaalsContact CZ3-CD 3.44Å; W1034-P1036 HydrophobicContact CZ3-CG 3.27Å
1037E33.8Very low27.1Very low185 Ų185152.4 Ų152.486%0.86474%0.741SS**  -179.6122.984.1-82.5-158.7159.500111.5
1038D29.8Very low27.4Very low147 Ų147155.4 Ų155.479%0.78675%0.752SS**  trans-52.8144.5164.8-71.3-61.3000113.9
1039K29.3Very low27.5Very low199 Ų199155.8 Ų155.887%0.86576%0.755SS**  -155.487.4121.7-105.3173.1-169-1770111.5
1040I25.6Very low27.7Very low126 Ų126148.1 Ų148.165%0.64674%0.739SS**  47.3109.1122.3-54.2163.6000117.9
1041T28.3Very low27.8Very low113 Ų113145.8 Ų145.869%0.69374%0.74SS**  177.998.3108.533.80000107.4
1042I25.5Very low27.9Very low141 Ų141142.1 Ų142.172%0.72373%0.731SS**  42.2101.997.6-50.8175.8000113.1
1043D30Very low28Very low159 Ų159139.2 Ų139.285%0.8573%0.728SS**  -152.7127.2112.6-103.2-23.2000112.2
1044T26.4Very low28Very low113 Ų113138 Ų13869%0.69373%0.73SS**  trans-84.4134.1171.232.30000109.8
1045D31.4Very low28.1Very low144 Ų144137.7 Ų137.777%0.7774%0.742SS**  trans-162.6102140-93.5-17.5000107.7
1046L26.7Very low27.6Very low132 Ų132135.9 Ų135.969%0.69174%0.739SS**  81.3107.890-80.2171.7000113.8
1047N26Very low27.4Very low133 Ų133139 Ų13971%0.71176%0.756SS**  trans67.7110.1140-61.2-20.4000119.1
1048Q32Very low26.9Very low189 Ų189137.3 Ų137.388%0.88375%0.752SS**  -171.7108.997.6-95.2173.124.900112.2
1049S26.5Very low26.7Very low101 Ų101137.4 Ų137.471%0.70675%0.753SS**  trans-9.4137.3146.153.20000119
1050S28.8Very low26.6Very low87 Ų87131.4 Ų131.461%0.60875%0.748SS**  170.810984.642.20000111.3
1051T24Very low26.5Very low126 Ų126130.7 Ų130.777%0.77375%0.753SS**  45108.1103.916.40000115.8
1052F26.7Very low26.3Very low177 Ų177130.3 Ų130.378%0.77675%0.754SS**  trans-141.793.4144-109.6-83.9000111.2
1053T24.5Very low26.3Very low111 Ų111133.8 Ų133.868%0.68176%0.76SS**  trans30.5119137.320.20000121
1054L23.7Very low26.1Very low176 Ų176131.4 Ų131.492%0.92175%0.752SS**  trans-53.1127.2154-74.1140000111.5
1055T24.2Very low26Very low122 Ų122136.4 Ų136.475%0.74876%0.764SS**  trans-127.2125.8151.7450000108.4V1057T1055-V1057 PolarHBondContact O-N 3.26Å
1056P24.1Very low25.6Very low111 Ų111137.9 Ų137.972%0.72177%0.766SS**  trans-77.2117.9177.931.7-28.3000108L1058P1056-L1058 VanDerWaalsContact C-N 3.27Å; P1056-L1058 PolarHBondContact O-N 3.46Å
1057V27.4Very low25.5Very low126 Ų126137.6 Ų137.676%0.76477%0.77SS**  trans-8687.6157.8-177.60000105.8T1055 D1059T1055-V1057 PolarHBondContact O-N 3.26Å; V1057-D1059 PolarHBondContact O-N 3.49Å
1058L23.8Very low25.4Very low150 Ų150137.6 Ų137.679%0.78578%0.777SS**  trans-62.7113153.7-79.5159.5000106.2P1056P1056-L1058 VanDerWaalsContact C-N 3.27Å; P1056-L1058 PolarHBondContact O-N 3.46Å
1059D26.7Very low25Very low149 Ų149133 Ų13380%0.79777%0.771SS**  trans-142.7105.2152.3-94.2-31.3000109.3V1057V1057-D1059 PolarHBondContact O-N 3.49Å
1060G26.3Very low25.1Very low74 Ų74134 Ų13476%0.76377%0.767SS**  74.149.9129.800000119.4S1062G1060-S1062 PolarHBondContact O-N 3.46Å; G1060-S1062 VanDerWaalsContact O-N 3.14Å
1061C23.3Very low24.9Very low111 Ų111135.2 Ų135.275%0.7577%0.772SS**  trans-73.690.6153.8-82.30000109.8Y1063C1061-Y1063 HydrophobicContact CB-CD2 4.11Å; C1061-Y1063 HydrophobicContact CB-CE2 4.01Å
1062S24.7Very low25Very low104 Ų104135.4 Ų135.473%0.72776%0.76SS**  trans-91.697.4155.153.60000108.7G1060 T1064G1060-S1062 PolarHBondContact O-N 3.46Å; G1060-S1062 VanDerWaalsContact O-N 3.14Å; S1062-T1064 PolarHBondContact O-N 2.92Å; S1062-T1064 VanDerWaalsContact O-N 3.16Å
1063Y25.2Very low24.9Very low214 Ų214134.2 Ų134.284%0.83976%0.76SS**  trans-69.797.1165.3-80.3-96.6000108.5C1061C1061-Y1063 HydrophobicContact CB-CD2 4.11Å; C1061-Y1063 HydrophobicContact CB-CE2 4.01Å
1064T25.3Very low25.2Very low110 Ų110133.1 Ų133.168%0.67575%0.75SS**  trans-106.3127159.745.10000108.6S1062 E1066S1062-T1064 PolarHBondContact O-N 2.92Å; S1062-T1064 VanDerWaalsContact O-N 3.16Å; T1064-E1066 PolarHBondContact O-N 3.49Å
1065K24.4Very low25.2Very low218 Ų218130.9 Ų130.995%0.94874%0.738SS**  trans-52.5104.1177.9-72171.9174175.20110
1066E24.3Very low25.2Very low174 Ų174132 Ų13281%0.81373%0.733SS**  trans-109.9113.8161.4-72.5-173.8175.700108.5T1064T1064-E1066 PolarHBondContact O-N 3.49Å
1067T24Very low25.4Very low126 Ų126128.9 Ų128.977%0.77371%0.71SS**  trans-46.7141.8168.129.10000111.7A1069T1067-A1069 PolarHBondContact O-N 3.2Å
1068P24.1Very low25.4Very low134 Ų134127.5 Ų127.587%0.8770%0.698SS**  trans-74.993-179.732-30.9000108.9
1069A23.5Very low25.5Very low92 Ų92124 Ų12476%0.7668%0.683SS**  trans-96.8104.716100000107.6T1067T1067-A1069 PolarHBondContact O-N 3.2Å
1070M27.1Very low25.4Very low123 Ų123119.3 Ų119.361%0.60666%0.661SS**  trans-48.4155.2161.9-82.2-73.4-8200111.1Y1072M1070-Y1072 HydrophobicContact CB-CD2 4.32Å; M1070-Y1072 HydrophobicContact CE-CD1 3.82Å; M1070-Y1072 HydrophobicContact CE-CD2 3.07Å; M1070-Y1072 HydrophobicContact CE-CE1 4.01Å; M1070-Y1072 HydrophobicContact CE-CE2 3.28Å; M1070-Y1072 HydrophobicContact CE-CG 3.31Å; M1070-Y1072 HydrophobicContact CG-CD2 4.4Å
1071P25.3Very low25.4Very low111 Ų111121.4 Ų121.472%0.72166%0.655SS**  -133127.687.41210.9000111.5
1072Y26.9Very low25.6Very low131 Ų131119.4 Ų119.451%0.51464%0.636SS.*  36.195.384.9-85.5-62.2000111.6M692 M1070M692-Y1072 HydrophobicContact CE-CE1 4.47Å; M692-Y1072 HydrophobicContact SD-CE1 4.44Å; M692-Y1072 HydrophobicContact SD-CE2 4.39Å; M692-Y1072 PolarHBondContact SD-OH 3.05Å; M1070-Y1072 HydrophobicContact CB-CD2 4.32Å; M1070-Y1072 HydrophobicContact CE-CD1 3.82Å; M1070-Y1072 HydrophobicContact CE-CD2 3.07Å; M1070-Y1072 HydrophobicContact CE-CE1 4.01Å; M1070-Y1072 HydrophobicContact CE-CE2 3.28Å; M1070-Y1072 HydrophobicContact CE-CG 3.31Å; M1070-Y1072 HydrophobicContact CG-CD2 4.4Å
1073L24.1Very low25.6Very low151 Ų151120.1 Ų120.179%0.79163%0.626SS**  trans168.5114.3163.7-91.2150.2000105.9
1074L29.8Very low25.6Very low89 Ų89112.7 Ų112.747%0.46661%0.606SS.*  cis-130.8123.714.8-69.4118.9000110.3E1343L1074-E1343 WeakPolarHBondContact CB-OE1 3.29Å; L1074-E1343 WeakPolarHBondContact CD1-OE2 3.42Å; L1074-E1343 HydrophobicContact CD2-CB 4.4Å; L1074-E1343 HydrophobicContact CD2-CG 4.08Å; L1074-E1343 WeakPolarHBondContact CD2-OE2 3.48Å
1075L24.9Very low25.7Very low129 Ų129112.2 Ų112.268%0.67560%0.598SS**  trans-133.166.9165.9-124.7167.4000102.5
1076K23.9Very low25.8Very low146 Ų146104 Ų10464%0.63556%0.563SS**  trans-146.7138.2164.7-78.4-166.5171.6-175.50104.1E1343K1076-E1343 WeakPolarHBondContact O-CG 3.35Å
1077D27.3Very low25.9Very low45 Ų4599 Ų9924%0.24155%0.547CS..SBendtrans102.8106.6167.3-50.8-30.4000115.5E1343 L1346D1077-E1343 HydrophobicContact CB-CG 3.98Å; D1077-E1343 WeakPolarHBondContact OD2-CA 3.14Å; D1077-L1346 HydrophobicContact CB-CB 3.93Å; D1077-L1346 HydrophobicContact CB-CD1 3.53Å; D1077-L1346 HydrophobicContact CB-CG 4.33Å; D1077-L1346 VanDerWaalsContact CG-CB 3.48Å; D1077-L1346 WeakPolarHBondContact OD1-CB 3.4Å
1078N29.1Very low26Very low96 Ų9694.7 Ų94.751%0.51352%0.522SS..  trans70.774.1172.1-64.7-8000118.6P1080 L1346N1078-P1080 VanDerWaalsContact O-CD 3.25Å; N1078-P1080 WeakPolarHBondContact O-CD 3.14Å; N1078-L1346 HydrophobicContact CB-CD1 4.4Å; N1078-L1346 VanDerWaalsContact ND2-CD1 3.29Å; N1078-L1346 WeakPolarHBondContact ND2-CD1 3.26Å; N1078-L1346 WeakPolarHBondContact OD1-CD1 3.31Å
1079T24.9Very low26.2Very low76 Ų7696.6 Ų96.647%0.46652%0.517SS..  -71.510512931.40000106S687S687-T1079 WeakPolarHBondContact CA-OG1 3.11Å; S687-T1079 WeakPolarHBondContact CB-OG1 3.38Å
1080P24.5Very low26.5Very low51 Ų5194.8 Ų94.833%0.33149%0.494SS..  trans-67.1144.1174.5-15.235.3000106.2N1078 L1082 S1084 I1085N1078-P1080 VanDerWaalsContact O-CD 3.25Å; N1078-P1080 WeakPolarHBondContact O-CD 3.14Å; P1080-L1082 PolarHBondContact O-N 3.29Å; P1080-S1084 WeakPolarHBondContact CB-OG 3.23Å; P1080-I1085 HydrophobicContact CB-CD1 3.74Å; P1080-I1085 HydrophobicContact CB-CG1 3.73Å; P1080-I1085 HydrophobicContact CG-CD1 3.34Å; P1080-I1085 HydrophobicContact CG-CG1 3.63Å
1081D25.7Very low26.4Very low118 Ų11891.2 Ų91.263%0.63148%0.477SS*.  trans-39.9131.9166.5-108.9-31.6000108.8F1083 S1084D1081-F1083 PolarHBondContact O-N 2.99Å; D1081-S1084 PolarHBondContact N-OG 3.45Å; D1081-S1084 PolarHBondContact O-N 3.4Å; D1081-S1084 PolarHBondContact O-OG 2.89Å
1082L27.7Very low26.5Very low70 Ų7090.4 Ų90.437%0.36647%0.467SS..THydrogen-bonded Turntrans-49.7-16.9179.7-91.7141.5000113.1P1080 Q1086P1080-L1082 PolarHBondContact O-N 3.29Å; L1082-Q1086 VanDerWaalsContact O-CD 3.29Å; L1082-Q1086 WeakPolarHBondContact O-CG 3.36Å; L1082-Q1086 PolarHBondContact O-OE1 3.31Å
1083F25.5Very low26.5Very low118 Ų11888.9 Ų88.952%0.51847%0.468SS..THydrogen-bonded Turntrans-88.6-24.9174.5-84.7-86.5000116K768 D1081K768-F1083 HydrophobicContact CD-CE1 4.24Å; K768-F1083 HydrophobicContact CD-CZ 4.3Å; D1081-F1083 PolarHBondContact O-N 2.99Å
1084S25.7Very low26.5Very low58 Ų5889 Ų8941%0.40646%0.462SS..THydrogen-bonded Turntrans-82.2-36.4-17360.50000113.7P1080 D1081 Q1086 S1087P1080-S1084 WeakPolarHBondContact CB-OG 3.23Å; D1081-S1084 PolarHBondContact N-OG 3.45Å; D1081-S1084 PolarHBondContact O-N 3.4Å; D1081-S1084 PolarHBondContact O-OG 2.89Å; S1084-Q1086 VanDerWaalsContact C-N 3.26Å; S1084-Q1086 PolarHBondContact O-N 3.44Å; S1084-S1087 PolarHBondContact O-OG 2.75Å
1085I26.7Very low26.5Very low100 Ų10087.3 Ų87.351%0.51345%0.454SS..G310 helixtrans-69.7-25.2172.4-68.3159.2000111.7P1080 S1087 S1088P1080-I1085 HydrophobicContact CB-CD1 3.74Å; P1080-I1085 HydrophobicContact CB-CG1 3.73Å; P1080-I1085 HydrophobicContact CG-CD1 3.34Å; P1080-I1085 HydrophobicContact CG-CG1 3.63Å; I1085-S1087 VanDerWaalsContact C-N 3.3Å; I1085-S1087 PolarHBondContact O-N 3.13Å; I1085-S1088 PolarHBondContact O-OG 2.65Å
1086Q27.4Very low26.8Very low47 Ų4783.3 Ų83.322%0.2244%0.436CS..G310 helixtrans-67.8-28.2-179.6-73.8-177.9-21.600112.7L1082 S1084 S1088 I1090L1082-Q1086 VanDerWaalsContact O-CD 3.29Å; L1082-Q1086 WeakPolarHBondContact O-CG 3.36Å; L1082-Q1086 PolarHBondContact O-OE1 3.31Å; S1084-Q1086 VanDerWaalsContact C-N 3.26Å; S1084-Q1086 PolarHBondContact O-N 3.44Å; Q1086-S1088 PolarHBondContact O-N 2.67Å; Q1086-S1088 VanDerWaalsContact O-N 3.14Å; Q1086-I1090 WeakPolarHBondContact O-CB 3.33Å; Q1086-I1090 PolarHBondContact O-N 3.11Å
1087S25.6Very low27Very low67 Ų6785.8 Ų85.847%0.46945%0.45SS..G310 helixtrans-67.1-13.2-178.365.50000115.9S1084 I1085S1084-S1087 PolarHBondContact O-OG 2.75Å; I1085-S1087 VanDerWaalsContact C-N 3.3Å; I1085-S1087 PolarHBondContact O-N 3.13Å
1088S26.9Very low27.1Very low37 Ų3786.9 Ų86.926%0.25946%0.46SS..G310 helixtrans-105.5-10.6-172.963.70000116.3I1085 Q1086I1085-S1088 PolarHBondContact O-OG 2.65Å; Q1086-S1088 PolarHBondContact O-N 2.67Å; Q1086-S1088 VanDerWaalsContact O-N 3.14Å
1089F27.5Very low27.1Very low173 Ų17383 Ų8376%0.75944%0.441SS*.THydrogen-bonded Turntrans-128.3-6.6178.9-78.9-79.6000113.8
1090I30.1Very low27.3Very low54 Ų5481.6 Ų81.628%0.27743%0.433SS..SBendtrans-147.672.5-163-49.5176000105.5Q1086 I1102Q1086-I1090 WeakPolarHBondContact O-CB 3.33Å; Q1086-I1090 PolarHBondContact O-N 3.11Å; I1090-I1102 HydrophobicContact CG2-CB 3.94Å; I1090-I1102 HydrophobicContact CG2-CD1 3.63Å; I1090-I1102 HydrophobicContact CG2-CG1 3.5Å; I1090-I1102 VanDerWaalsContact CG2-CG1 3.5Å; I1090-I1102 HydrophobicContact CG2-CG2 3.51Å
1091N25.6Very low27.4Very low48 Ų4882.4 Ų82.426%0.25744%0.438SS..  trans-170.7158.4151.5-99.5-50.3000115.9I1102 D1104N1091-I1102 PolarHBondContact ND2-O 3.41Å; N1091-I1102 PolarHBondContact OD1-O 2.57Å; N1091-D1104 HydrophobicContact CB-CB 4.17Å; N1091-D1104 VanDerWaalsContact CB-CG 3.43Å; N1091-D1104 WeakPolarHBondContact CB-OD2 3.16Å; N1091-D1104 WeakPolarHBondContact ND2-CA 3.08Å; N1091-D1104 WeakPolarHBondContact ND2-CB 2.78Å; N1091-D1104 PolarHBondContact ND2-N 3.38Å; N1091-D1104 PolarHBondContact ND2-OD1 2.85Å; N1091-D1104 PolarHBondContact ND2-OD2 3.21Å; N1091-D1104 PolarHBondContact OD1-N 2.9Å
1092N27.3Very low27.5Very low94 Ų9479.7 Ų79.750%0.50342%0.423SS..  trans88.190.4179.9-60.8-14000117.4R136R136-N1092 PolarHBondContact NE-O 2.95Å; R136-N1092 PolarHBondContact NH2-O 3Å
1093D25.3Very low27.6Very low99 Ų9978.9 Ų78.953%0.52942%0.422SS..SBendtrans39120.1131.2-60.7-20.2000122R136R136-D1093 WeakPolarHBondContact CD-O 3.41Å; R136-D1093 PolarHBondContact NE-O 3.31Å; R136-D1093 PolarHBondContact NH1-O 2.94Å; R136-D1093 VanDerWaalsContact NH1-O 3.16Å; R136-D1093 PolarHBondContact NH2-O 3.18Å
1094F26Very low27.6Very low154 Ų15476.6 Ų76.668%0.67542%0.416SS*.  trans95.773.8-168.8-26.5-99.4000115.6R136R136-F1094 PolarHBondContact NH1-O 2.97Å; R136-F1094 PolarHBondContact NH2-O 3Å
1095L28.9Very low27.6Very low54 Ų5477.1 Ų77.128%0.28343%0.43SS..SBend-105.3146129.7-73.1157.9000105.4C1099L1095-C1099 HydrophobicContact CB-CB 3.26Å; L1095-C1099 HydrophobicContact CD1-CB 4.11Å; L1095-C1099 HydrophobicContact CG-CB 4.19Å
1096C31.9Very low27.4Very low44 Ų4477.1 Ų77.130%0.29744%0.439SS..  trans-12.1141.2164.1174.80000114.2S1098 C1099C1096-S1098 CarbonylContact O-C 3.55Å; C1096-S1098 PolarHBondContact O-N 3.49Å; C1096-S1098 PolarHBondContact SG-OG 3.16Å; C1096-C1099 PolarHBondContact O-N 3.39Å
1097E26.7Very low27.4Very low199 Ų19980.3 Ų80.393%0.9347%0.467SS*.THydrogen-bonded Turntrans-50.4-3.1174-71-176.2147.900114.7
1098S30.9Very low27.4Very low67 Ų6785.9 Ų85.947%0.46948%0.482SS..THydrogen-bonded Turntrans-100.3-2.9172.8-27.30000116.2W628 C1096W628-S1098 PolarHBondContact NE1-O 3.07Å; C1096-S1098 CarbonylContact O-C 3.55Å; C1096-S1098 PolarHBondContact O-N 3.49Å; C1096-S1098 PolarHBondContact SG-OG 3.16Å
1099C27.7Very low27.4Very low14 Ų1494.1 Ų94.110%0.09551%0.509CS..SBendtrans-133.4106.6-169.1-80.40000111W628 L1095 C1096W628-C1099 VanDerWaalsContact CD1-SG 3.59Å; L1095-C1099 HydrophobicContact CB-CB 3.26Å; L1095-C1099 HydrophobicContact CD1-CB 4.11Å; L1095-C1099 HydrophobicContact CG-CB 4.19Å; C1096-C1099 PolarHBondContact O-N 3.39Å
1100P29Very low27.4Very low47 Ų4789.2 Ų89.231%0.30551%0.507SS..PPolyproline II helixtrans-79.2139.7-168.9-21.237.4000114.5L787 E789L787-P1100 HydrophobicContact CB-CG 4.03Å; L787-P1100 HydrophobicContact CD2-CB 3.45Å; L787-P1100 VanDerWaalsContact CD2-CB 3.45Å; L787-P1100 HydrophobicContact CD2-CG 3.29Å; L787-P1100 HydrophobicContact CG-CG 4.28Å; E789-P1100 WeakPolarHBondContact OE1-CB 3.37Å
1101P27.6Very low27.1Very low68 Ų6897.2 Ų97.244%0.44254%0.535SS..PPolyproline II helixtrans-72.9134.6169.331.6-31.2000109.8
1102I28.5Very low27.3Very low62 Ų62102.6 Ų102.632%0.31856%0.564SS.*PPolyproline II helixtrans-92.4116.7176.96.4-176.4000109.4I1090 N1091I1090-I1102 HydrophobicContact CG2-CB 3.94Å; I1090-I1102 HydrophobicContact CG2-CD1 3.63Å; I1090-I1102 HydrophobicContact CG2-CG1 3.5Å; I1090-I1102 VanDerWaalsContact CG2-CG1 3.5Å; I1090-I1102 HydrophobicContact CG2-CG2 3.51Å; N1091-I1102 PolarHBondContact ND2-O 3.41Å; N1091-I1102 PolarHBondContact OD1-O 2.57Å
1103C28.3Very low27.2Very low52 Ų52103.1 Ų103.135%0.35158%0.575SS.*PPolyproline II helixtrans-47120.6-166.8-54.40000117.5K768K768-C1103 VanDerWaalsContact CE-CB 3.43Å; K768-C1103 PolarHBondContact NZ-O 2.97Å
1104D25.7Very low27.1Very low71 Ų71101.7 Ų101.738%0.3858%0.583SS.*PPolyproline II helixtrans-70.9147160.5-117.2-16.6000112.4N1091N1091-D1104 HydrophobicContact CB-CB 4.17Å; N1091-D1104 VanDerWaalsContact CB-CG 3.43Å; N1091-D1104 WeakPolarHBondContact CB-OD2 3.16Å; N1091-D1104 WeakPolarHBondContact ND2-CA 3.08Å; N1091-D1104 WeakPolarHBondContact ND2-CB 2.78Å; N1091-D1104 PolarHBondContact ND2-N 3.38Å; N1091-D1104 PolarHBondContact ND2-OD1 2.85Å; N1091-D1104 PolarHBondContact ND2-OD2 3.21Å; N1091-D1104 PolarHBondContact OD1-N 2.9Å
1105G25.4Very low27.2Very low68 Ų68101.9 Ų101.970%0.70159%0.591SS**  trans-116.974.4174.100000110.8
1106S24.1Very low27Very low101 Ų101104.2 Ų104.271%0.70661%0.612SS**  trans-160.965.1166.956.10000112.5
1107S27.2Very low26.8Very low114 Ų114109.9 Ų109.980%0.79764%0.638SS**  trans-149.499.915455.60000111.7
1108K24.8Very low26.7Very low183 Ų183107.1 Ų107.180%0.79663%0.63SS**  trans-74.9128.2146.9-100.7-178.6176.2177.50106.6
1109Y27.4Very low26.5Very low211 Ų211111.6 Ų111.683%0.82765%0.648SS**SBendtrans91.680.1166.2-52-68.8000118.6
1110G26.3Very low26.3Very low69 Ų69119.5 Ų119.571%0.71168%0.683SS**  82.485.994.600000119.3
1111Y25.4Very low26.2Very low222 Ų222122.5 Ų122.587%0.87171%0.706SS**  20.1125129.1-75.3-90.2000120
1112L28.2Very low26.4Very low162 Ų162127.1 Ų127.185%0.84873%0.725SS**  177140.798.1-92.3169000112.4
1113S25.6Very low26.3Very low105 Ų105132.4 Ų132.473%0.73475%0.748SS**  trans-61.4159.2-174.251.80000116.4
1114G23.1Very low26.2Very low68 Ų68137 Ų13770%0.70177%0.769SS**  trans-53.1135.3171.200000114
1115N28Very low26.3Very low159 Ų159142.4 Ų142.485%0.8579%0.792SS**  trans-155.9131.9133.6-98.2-25.8000108.3L1117N1115-L1117 PolarHBondContact O-N 3.1Å
1116S24.4Very low26.5Very low103 Ų103146.9 Ų146.972%0.7280%0.8SS**  trans-44.8129.8164.550.10000111.5
1117L28.1Very low26.6Very low163 Ų163150.5 Ų150.585%0.85381%0.811SS**  trans179.7132.8131-94.2153.3000109.7N1115N1115-L1117 PolarHBondContact O-N 3.1Å
1118N24.5Very low26.6Very low140 Ų140150.3 Ų150.375%0.74981%0.809SS**  trans-33.5137.9168.4-63.5-34.9000113.6
1119L26.6Very low26.7Very low161 Ų161150.3 Ų150.384%0.84382%0.817SS**  173.3135.6101.2-110.9105.4000109.3
1120E24.4Very low26.6Very low180 Ų180150.7 Ų150.784%0.84182%0.818SS**  trans-45.4131.1163.8-60.4167.5143.800111.7
1121S26.4Very low26.6Very low111 Ų111152.2 Ų152.278%0.77682%0.818SS**  trans147.6148.5143.956.80000110.7
1122I31.3Very low26.6Very low165 Ų165149 Ų14985%0.84682%0.816SS**  trans88.961.2-179-42.4174000113.4
1123Q26.8Very low26.7Very low173 Ų173149 Ų14981%0.80882%0.815SS**  trans-59.6155.8141.9-71169.3-39.400110.9
1124N27.3Very low26.7Very low149 Ų149151.5 Ų151.580%0.79782%0.82SS**  trans90.891.4166.3-56.5-27.2000117.2
1125Q27.1Very low26.8Very low184 Ų184157 Ų15786%0.8683%0.828SS**SBend179.2140.2111-93.4170.43.500109.6
1126N29.1Very low26.9Very low161 Ų161157.9 Ų157.986%0.86183%0.827SS**  trans90.956.8179.9-54.1-22.8000116.9
1127L26.7Very low27.1Very low178 Ų178158.9 Ų158.993%0.93283%0.828SS**  trans-113.5104.5147.1-117.1118.8000107.2
1128S26.8Very low27Very low109 Ų109160 Ų16076%0.76283%0.829SS**  trans-174.195.6153.358.40000110.1
1129L27.4Very low27Very low183 Ų183158.5 Ų158.596%0.95883%0.83SS**SBendtrans170.153.5143.5-87.1160.2000108.2
1130Y24.6Very low27.1Very low220 Ų220161.6 Ų161.686%0.86383%0.83SS**  trans-104.6154.3152-102.3-91.9000106.4
1131S26.2Very low27.1Very low101 Ų101157.4 Ų157.471%0.70682%0.821SS**  trans59.9102155.662.20000117.9
1132N26.8Very low27.2Very low154 Ų154160.6 Ų160.682%0.82482%0.823SS**  trans168.5102.9142.5-81.8-22.5000103.4
1133I29.5Very low26.9Very low161 Ų161158.4 Ų158.483%0.82682%0.821SS**  -166.5102.791.5-75.7140.8000106.5
1134N25.3Very low27.2Very low158 Ų158154.9 Ų154.985%0.84581%0.814SS**  trans-114.3144.4147.3-99.2-31.3000104.7
1135Q26.1Very low27.2Very low185 Ų185154.9 Ų154.986%0.86481%0.81SS**  trans84.394.8179.1-54.1177.3-13.500114.7
1136E28.9Very low27.3Very low177 Ų177155.2 Ų155.283%0.82781%0.809SS**  -170.5125.8112.6-100.5174.7-176.100110.4
1137T29.3Very low27.4Very low123 Ų123150.7 Ų150.776%0.75579%0.79SS**  trans66.698149.960.30000117.6
1138E25.1Very low27.5Very low186 Ų186150.8 Ų150.887%0.86979%0.792SS**  35.898.182.8-71.3-170.7167.300113.8
1139S26.3Very low27.6Very low109 Ų109150.1 Ų150.176%0.76279%0.786SS**  159.5136114.556.50000112.5
1140R27.1Very low27.7Very low226 Ų226149.4 Ų149.485%0.85378%0.782SS**  trans77.982.3155.7-68.3175.8176.7-179.1-0.1119.8
1141S25.8Very low27.9Very low92 Ų92145.3 Ų145.364%0.64378%0.775SS**  51123106.267.10000121.3
1142H27.1Very low28.2Very low178 Ų178148.2 Ų148.282%0.82478%0.782SS**  trans58.7127.5133.8-67.1-57.1000118.2
1143C26.1Very low28.2Very low119 Ų119146.7 Ų146.780%0.80477%0.774SS**  -176.5173.481.4-117.20000111.7
1144P32.2Very low28.3Very low100 Ų100150.3 Ų150.365%0.64978%0.779SS**  -135.7-158.5-125.331.2-3.9000113.2
1145M28.4Very low28.5Very low148 Ų148149.4 Ų149.473%0.72977%0.774SS**  trans86.7143.5160-45.9-14393.200116.2
1146K28.8Very low28.6Very low192 Ų192148.1 Ų148.184%0.83577%0.772SS**  cis-149.1131.937.4-68.4169.8178.2176.20109.3
1147S30.2Very low28.6Very low66 Ų66146.8 Ų146.846%0.46277%0.771SS.*  66.2117.555.979.20000114.7
1148D30.4Very low28.5Very low180 Ų180149.8 Ų149.896%0.96378%0.776SS**  trans-121.1121.9137.7-91-28.7000108.7
1149C29.3Very low28.7Very low94 Ų94148.6 Ų148.664%0.63577%0.774SS**  trans-101.6155.2-165.8-62.10000111.6
1150L28.3Very low28.7Very low169 Ų169146.1 Ų146.189%0.88577%0.766SS**  trans-131.4110.5139.7-85.9166.6000107.3
1151N28Very low28.9Very low133 Ų133143.5 Ų143.571%0.71177%0.769SS**  trans-125.5131179.2-141.917000107.4
1152N33Very low29Very low162 Ų162148 Ų14887%0.86678%0.779SS**  trans-120.4111.8164-99.1-14.3000108
1153N27.2Very low29.2Very low122 Ų122148.1 Ų148.165%0.65278%0.781SS**  trans-73.5143.5171.6-75.7-30.6000110.7
1154Y32.5Very low29.5Very low238 Ų238147.4 Ų147.493%0.93378%0.777SS**  trans-140.6126.9138.6-95.6-78000110.5
1155N29.5Very low29.2Very low138 Ų138148.6 Ų148.674%0.73878%0.782SS**  trans-71144.3-172.8-77.9-40.9000113.5
1156I26.8Very low29.4Very low158 Ų158151.5 Ų151.581%0.8179%0.79SS**  trans-92.7120.5155.1-65.7171.1000106.9
1157N29.8Very low29.4Very low150 Ų150150.3 Ų150.380%0.80279%0.788SS**  trans-117.3122.5161.3-90.5-17.3000108.6
1158Q25.7Very low29.5Very low186 Ų186156 Ų15687%0.86981%0.807SS**  trans-75.2125.2166.4-73.1173.3-23.200110.1
1159I31.1Very low29.4Very low160 Ų160153.7 Ų153.782%0.82180%0.795SS**  trans-153.2106.4150.9-54.8-176.6000101.9
1160G26.3Very low29.6Very low58 Ų58157.3 Ų157.360%0.59881%0.807SS**  76.292.469.500000108.3
1161D31.4Very low29.6Very low170 Ų170157.5 Ų157.591%0.90980%0.804SS**  trans175.5134.6139.2-82.6-19000111.6
1162E27.4Very low29.8Very low186 Ų186158.9 Ų158.987%0.86981%0.809SS**  trans-70.7147.8-179.8-58.9171.1140.700111
1163E31.2Very low29.7Very low182 Ų182156.2 Ų156.285%0.8580%0.804SS**  170.8118.9126.8-94.6-178.1172.400113.9
1164S31.2Very low29.6Very low103 Ų103156.8 Ų156.872%0.7281%0.812SS**  trans63.3102.113868.60000122.7
1165V27.5Very low29.7Very low126 Ų126151.6 Ų151.676%0.76481%0.807SS**  29.1118.9117.8-172.30000118.8
1166K32.2Very low29.6Very low208 Ų208152.7 Ų152.790%0.90481%0.808SS**  -169.3135.6119.9-101.5167.9-171.5-178.90113.2
1167H28.1Very low29.7Very low168 Ų168156.8 Ų156.878%0.77882%0.815SS**  trans-69.9151.8179.5-82.8-84.9000114.2
1168E32.2Very low29.5Very low186 Ų186160.1 Ų160.187%0.86982%0.816SS**  178.399.2126.2-97.5170.7-175.200108.1
1169N28.6Very low29.6Very low131 Ų131156.7 Ų156.770%0.70181%0.811SS**  48105.8101.7-80-11.8000115.3
1170D33.5Very low29.5Very low169 Ų169156.2 Ų156.290%0.90481%0.81SS**  -158.6138.1120-99.7-22.9000113
1171Q29.2Very low29.5Very low173 Ų173158.1 Ų158.181%0.80881%0.814SS**  trans-88.7142.6-165.8-57.5170.4-10.800112.1
1172I32.2Very low29.4Very low162 Ų162156.7 Ų156.783%0.83181%0.811SS**  trans-151.5100.8137.2-62-166.4000110.7
1173S29.8Very low29.4Very low107 Ų107155 Ų15575%0.74881%0.807SS**  trans34.3119.1146.162.70000124.2
1174T25.2Very low29.2Very low133 Ų133156.1 Ų156.182%0.81681%0.809SS**  trans-122.7145.3147.1400000109.3
1175P35.5Very low28.9Very low129 Ų129156.9 Ų156.984%0.83881%0.81SS**PPolyproline II helixtrans-96.1126.1167.531.7-23.8000111.9
1176Q27.2Very low29.1Very low161 Ų161157 Ų15775%0.75281%0.813SS**PPolyproline II helixtrans-74.1143.6171.3-69.1172.2-28.100111.9
1177Y28.3Very low28.9Very low245 Ų245156.8 Ų156.896%0.96181%0.812SS**PPolyproline II helixtrans-95.5125151.8-90.4-86.3000109.1
1178R26.1Very low28.8Very low220 Ų220152.8 Ų152.883%0.8381%0.808SS**  trans-122.1129.7176.6-127-177-173.1-179.22.9110.8
1179C27.4Very low28.6Very low113 Ų113151.9 Ų151.976%0.76481%0.809SS**  trans-7.3153.3160.6-73.20000122.4
1180N29.2Very low28.6Very low150 Ų150152.3 Ų152.380%0.80281%0.811SS**  -165.1113.5121.7-91.9-22.5000109.6
1181C26.5Very low28.3Very low99 Ų99150.8 Ų150.867%0.66980%0.803SS**  84.3114.285.8-73.30000113.6
1182T29.1Very low28.4Very low140 Ų140151.4 Ų151.486%0.85981%0.806SS**  168.1146.3102.233.10000112.9
1183I26.1Very low28.3Very low151 Ų151151.5 Ų151.577%0.77480%0.802SS**  trans-91.9135.6-176.7-67.9159.6000108.6
1184F28.5Very low28.2Very low204 Ų204154.1 Ų154.190%0.89581%0.808SS**  trans-141.9124.2153.8-95-81000110.4
1185T23.7Very low28.3Very low120 Ų120153.5 Ų153.574%0.73680%0.804SS**  trans-107.5151.9159.444.40000107
1186P31.7Very low28Very low129 Ų129153.7 Ų153.784%0.83880%0.802SS**  trans-135.5147.7133.827.7-10.7000113.5
1187K27.9Very low27.9Very low203 Ų203151.4 Ų151.488%0.88380%0.804SS**  trans-78146.7172.4-76.1173.6170.6176.30111.3
1188A27.4Very low27.9Very low84 Ų84144.3 Ų144.369%0.69479%0.791SS**  trans46122.7137.100000120.3
1189N28Very low27.9Very low166 Ų166141.3 Ų141.389%0.88879%0.791SS**  -159.4144.9112.7-103.2-19000112.9
1190L27.6Very low27.8Very low141 Ų141142.8 Ų142.874%0.73879%0.791SS**  trans-77.7162.1-178.9-87.7110.8000113.2
1191N27.7Very low27.8Very low137 Ų137144.5 Ų144.573%0.73380%0.8SS**  trans71.9118.7155-56.7-17.5000117
1192E31Very low27.8Very low186 Ų186144.4 Ų144.487%0.86980%0.8SS**  -172.8154.685.2-92.4-176.5171.900111.3
1193H30.1Very low27.6Very low163 Ų163147.7 Ų147.776%0.75580%0.802SS**  trans-58.8145.4-173.3-67.3-97.7000114.2
1194N28.9Very low27.6Very low162 Ų162145.7 Ų145.787%0.86680%0.802SS**  -154.6110.3125.3-94.8-26.7000110.6
1195T27.2Very low27.5Very low121 Ų121143.3 Ų143.374%0.74280%0.798SS**  trans-56.1125.1162.7410000111.3
1196V28.9Very low27.6Very low132 Ų132146.5 Ų146.580%0.880%0.802SS**  trans-132.5108.2147.5179.30000107.8
1197S24.7Very low27.4Very low114 Ų114144.5 Ų144.580%0.79779%0.789SS**  trans-86.4123.4165.151.10000109.6
1198S28.3Very low27.3Very low96 Ų96142.3 Ų142.367%0.67179%0.786SS**  trans-170.295.5156.348.50000106.1
1199N25.5Very low27.2Very low156 Ų156144.6 Ų144.683%0.83478%0.781SS**  34.591.595.1-75-6.8000112.3
1200D26.5Very low27.1Very low145 Ų145142.6 Ų142.678%0.77578%0.777SS**  trans158.394.8137.7-84.3-23.5000110
1201L29.1Very low27.1Very low186 Ų186144 Ų14497%0.97477%0.774SS**  trans-169.250.3149.7-98.5155000108.6
1202S25.6Very low27Very low97 Ų97143.6 Ų143.668%0.67878%0.776SS**  trans-112.179163.348.60000107.5
1203K26Very low26.8Very low209 Ų209139.9 Ų139.991%0.90977%0.766SS**  trans-167.163.9168.9-106.5161-166.8-177.70111.9
1204S25.9Very low26.5Very low109 Ų109139.3 Ų139.376%0.76277%0.768SS**  trans-146.754.3143.371.20000108.7F1206S1204-F1206 PolarHBondContact O-N 3.07Å
1205N26.5Very low26.4Very low153 Ų153138 Ų13882%0.81876%0.76SS**  trans-69.5101.5159.9-80.5-15.2000106.2P1207N1205-P1207 VanDerWaalsContact O-CD 3.3Å; N1205-P1207 WeakPolarHBondContact O-CD 3.09Å
1206F25.2Very low26.4Very low188 Ų188138.1 Ų138.183%0.82576%0.76SS**  trans-69.5117.4152.7-91.4-84000106.1S1204 L1208S1204-F1206 PolarHBondContact O-N 3.07Å; F1206-L1208 PolarHBondContact O-N 3.19Å
1207P27Very low26.3Very low87 Ų87138.5 Ų138.557%0.56576%0.758SS**  trans-71105.6170.929.2-27.9000106.8N1205 K1209N1205-P1207 VanDerWaalsContact O-CD 3.3Å; N1205-P1207 WeakPolarHBondContact O-CD 3.09Å; P1207-K1209 HydrophobicContact CB-CG 4.15Å; P1207-K1209 PolarHBondContact O-N 3.35Å
1208L27Very low26.5Very low156 Ų156142.8 Ų142.882%0.81776%0.762SS**  trans-68.475149.8-79.2162.6000106.2F1206F1206-L1208 PolarHBondContact O-N 3.19Å
1209K24.4Very low26.5Very low133 Ų133144.7 Ų144.758%0.57877%0.77SS**  trans-73.8135.4163.3-90.6177.4179.9-174.60106.8P1207 Y1211P1207-K1209 HydrophobicContact CB-CG 4.15Å; P1207-K1209 PolarHBondContact O-N 3.35Å; K1209-Y1211 HydrophobicContact CB-CD2 4.13Å; K1209-Y1211 HydrophobicContact CB-CE2 3.76Å; K1209-Y1211 WeakPolarHBondContact O-CD2 3.25Å; K1209-Y1211 PolarHBondContact O-N 3.26Å
1210P26Very low26.6Very low124 Ų124142.9 Ų142.981%0.80577%0.767SS**  trans-64.2109.9165.927.8-29.6000106.7
1211Y28.1Very low26.7Very low171 Ų171147.8 Ų147.867%0.67178%0.775SS**  trans-93.898.9171.4-77.4-79000108.1K1209 V1213K1209-Y1211 HydrophobicContact CB-CD2 4.13Å; K1209-Y1211 HydrophobicContact CB-CE2 3.76Å; K1209-Y1211 WeakPolarHBondContact O-CD2 3.25Å; K1209-Y1211 PolarHBondContact O-N 3.26Å; Y1211-V1213 PolarHBondContact O-N 2.97Å
1212T25.5Very low26.6Very low128 Ų128149.9 Ų149.979%0.78577%0.77SS**  trans-64.511614928.50000107.3
1213V26.1Very low26.9Very low107 Ų107152.9 Ų152.965%0.64877%0.773SS**  trans-104.5100.4170.5-173.30000107.4Y1211 I1215Y1211-V1213 PolarHBondContact O-N 2.97Å; V1213-I1215 HydrophobicContact CG1-CD1 4.08Å; V1213-I1215 HydrophobicContact CG1-CG1 3.53Å
1214D23.9Very low27.2Very low151 Ų151151 Ų15181%0.80777%0.768SS**  trans-72.7116.3158-73.5-37.5000107.7
1215I26.9Very low27.4Very low134 Ų134153.4 Ų153.469%0.68777%0.772SS**  trans-105.990169.6-54.5-177.4000108V1213V1213-I1215 HydrophobicContact CG1-CD1 4.08Å; V1213-I1215 HydrophobicContact CG1-CG1 3.53Å
1216V28.3Very low28Very low125 Ų125151 Ų15176%0.75876%0.764SS**  trans-108.7115.2158.4-175.80000108.1F1218V1216-F1218 PolarHBondContact O-N 3.29Å
1217N26Very low28.3Very low140 Ų140148.2 Ų148.275%0.74976%0.763SS**  trans-54.5121.4176.2-75-44.6000112.5
1218F27.9Very low28.4Very low203 Ų203149.7 Ų149.789%0.8977%0.77SS**  trans-149.7133147.9-102.4-78.8000111.6V1216V1216-F1218 PolarHBondContact O-N 3.29Å
1219T28.9Very low28.7Very low136 Ų136148.5 Ų148.583%0.83477%0.769SS**  trans-76.9161.7-173.828.70000114.2
1220P27.8Very low28.8Very low119 Ų119148.6 Ų148.677%0.77377%0.774SS**  trans-104.8158.9-151.338.6-33.2000115.8
1221R28.8Very low29.1Very low248 Ų248149.3 Ų149.394%0.93678%0.776SS**  trans-146.1109.6158.6-80.3-167.2178.4-176.2-0.3113.3
1222R27.1Very low29Very low230 Ų230148.7 Ų148.787%0.86878%0.779SS**  trans25.7149.2133.2-99.2-177.9-177.3170.80.6124.2
1223E31.3Very low29.4Very low160 Ų160150.9 Ų150.975%0.74878%0.784SS**  trans90.4131.5158.5-68161.7-158.500115.5
1224E32.5Very low29.5Very low170 Ų170153.9 Ų153.979%0.79479%0.791SS**  cis-167.4120.75.4-104.7169.3-175.700108.9
1225N30.5Very low29.6Very low159 Ų159151 Ų15185%0.8578%0.783SS**  38.4166121.9-107.111.3000124.2
1226P38.1Very low29.8Very low101 Ų101150.8 Ų150.866%0.65678%0.783SS**  -134.2-175-101.439.3-18.3000114.6
1227T32.2Very low29.9Very low131 Ų131152.7 Ų152.780%0.80478%0.782SS**  trans-178.1111.8151.615.70000111.2
1228T29.9Very low30.1Very low117 Ų117152 Ų15272%0.71878%0.777SS**  73.2120.596.1-38.80000113.7
1229V32Very low30.1Very low131 Ų131148.5 Ų148.579%0.79477%0.768SS**  -177.5117.194.11630000106.5
1230M28Very low30.1Very low136 Ų136148.8 Ų148.867%0.6777%0.77SS**  64.4115.272.6-77.1-67.8-101.600117.3
1231T32Very low30.2Very low139 Ų139146.6 Ų146.685%0.85377%0.769SS**  trans163.2101.5141.247.90000107.6
1232E26.1Very low30.2Very low157 Ų157143.2 Ų143.273%0.73477%0.77SS**  46.6118.370-77.4-176.8-171.700115
1233I33.6Very low30.3Very low175 Ų175137.1 Ų137.190%0.89776%0.762SS**  -164125.9129.3-86.6146.4000108.5
1234E27.2Very low30.1Very low169 Ų169136.2 Ų136.279%0.7977%0.767SS**  trans-83172.1179.9-61.1172.612600113.1
1235S27.6Very low30Very low92 Ų92136 Ų13664%0.64377%0.771SS**  trans76.4121.6138700000118.7
1236D30.1Very low29.9Very low128 Ų128137.1 Ų137.168%0.68477%0.771SS**  141.2138.4100.9-100.3-8000117.1
1237F31Very low29.7Very low166 Ų166139.8 Ų139.873%0.72878%0.778SS**  trans73.2103.8151.8-68.1-66.2000123
1238D29.5Very low29.5Very low124 Ų124141.5 Ų141.566%0.66378%0.782SS**  54.4125.3110.4-84.2-11.3000122.9
1239N28.8Very low29.5Very low130 Ų130144 Ų14470%0.69579%0.785SS**  80.1134.4128.6-80-37.1000122.2
1240T29Very low29.6Very low143 Ų143144.6 Ų144.688%0.87779%0.789SS**  trans82.1118.2158.865.20000118.8
1241G30.1Very low29.7Very low72 Ų72144.3 Ų144.374%0.74279%0.79SS**  trans164.970166.500000114.1S1243G1241-S1243 PolarHBondContact O-N 3.02Å
1242N27.1Very low29.6Very low178 Ų178145.7 Ų145.795%0.95279%0.787SS**  trans-55.7123162.5-90.9-21.6000110
1243S31Very low29.8Very low102 Ų102147.9 Ų147.971%0.71379%0.794SS**  trans-145.598.9156.760.30000110G1241G1241-S1243 PolarHBondContact O-N 3.02Å
1244T26.6Very low29.7Very low140 Ų140143.9 Ų143.986%0.85978%0.781SS**  trans-21.7128.5151.934.40000115
1245L30.8Very low29.8Very low166 Ų166144.9 Ų144.987%0.86978%0.784SS**  trans-132.3129.5158.7-97.7161000109.7
1246E28.3Very low30Very low182 Ų182147.9 Ų147.985%0.8579%0.791SS**  trans-68.4131-158.8-62164.3137.900113.8
1247I32Very low29.7Very low158 Ų158150.9 Ų150.981%0.8180%0.798SS**  trans-96.9120.1157.1-64175.3000106.4E1249I1247-E1249 PolarHBondContact O-N 3.46Å
1248L29.8Very low29.8Very low167 Ų167148.7 Ų148.787%0.87480%0.8SS**  trans-63.697.4175.6-78.7154.7000110.6
1249E28.9Very low30Very low169 Ų169151.5 Ų151.579%0.7981%0.806SS**  trans-79.1123.1159.7-77.3-175153.300109.8I1247I1247-E1249 PolarHBondContact O-N 3.46Å
1250V34.4Very low29.9Very low144 Ų144152.1 Ų152.187%0.87381%0.81SS**  trans-99.6112.3164.3176.10000107.6
1251N30.6Very low30Very low130 Ų130155.3 Ų155.370%0.69581%0.812SS**  trans-62.3136-172-84.3-36.8000116.6
1252E30.1Very low29.9Very low168 Ų168157.5 Ų157.579%0.78581%0.811SS**  trans31.8126.6132.6-62-166.8148.400123.2
1253K30.5Very low30Very low202 Ų202156.3 Ų156.388%0.87881%0.81SS**  173126.8116.3-89.4163.9-172.1-179.40106
1254S31.4Very low29.9Very low91 Ų91156.3 Ų156.364%0.63681%0.81SS**  cis-179.8151.228.558.50000110.7
1255F29.3Very low29.9Very low191 Ų191159.3 Ų159.384%0.83881%0.811SS**  trans71.4129.1152-71.6-61.8000118.7
1256I31.8Very low29.8Very low154 Ų154156.6 Ų156.679%0.7981%0.806SS**  cis-157.6142.420.8-85.3140.3000109.1
1257K23.9Very low30Very low191 Ų191153.7 Ų153.783%0.8380%0.801SS**  trans-77.5157.3172.9-77-178.5174.3-179.70113.1
1258P32.6Very low30Very low120 Ų120153.9 Ų153.978%0.77980%0.798SS**  -136.7122.3108.830.4-14.8000112.2
1259K32.8Very low30Very low183 Ų183152.1 Ų152.180%0.79679%0.789SS**  68.4101.297.2-81.8-170.7175.2-177.20115.6
1260D27.5Very low30.1Very low144 Ų144150.7 Ų150.777%0.7779%0.787SS**  trans32.3118.2138.8-50.8-32.1000119.9
1261F30.3Very low30Very low209 Ų209152.6 Ų152.692%0.91779%0.787SS**  trans-141.7114.5141.2-104.7-81.6000111.3
1262T28.1Very low29.9Very low119 Ų119151.1 Ų151.173%0.7379%0.786SS**  trans-61.1136.4168.141.30000112.3
1263V29.9Very low29.9Very low152 Ų152154.1 Ų154.192%0.92179%0.79SS**  trans-98.4100.6165.6179.10000109.2
1264S29.2Very low29.8Very low103 Ų103154 Ų15472%0.7279%0.79SS**  trans-91.6135.7168.544.10000111
1265K26.3Very low29.7Very low202 Ų202158.9 Ų158.988%0.87881%0.805SS**  trans-56.4142.3165.4-70.7171.4174.1175.40111.4
1266S28.9Very low29.5Very low110 Ų110157.6 Ų157.677%0.76981%0.807SS**  trans142.4123.3130.1650000116.7
1267V31.8Very low29.2Very low121 Ų121159.6 Ų159.673%0.73381%0.813SS**  trans83.9105.7130.2179.90000121.5
1268Q32.1Very low29.3Very low162 Ų162156.6 Ų156.676%0.75782%0.815SS**  57.9121.5127.9-62.4-178.5-22.100123.9
1269N29.2Very low29Very low129 Ų129157.6 Ų157.669%0.6982%0.818SS**  89122.6125.3-76.3-8.1000123.2
1270N30.9Very low29.1Very low139 Ų139154 Ų15474%0.74381%0.814SS**  trans83.7105.8140.4-67.1-17.5000119.9
1271Q32.9Very low29.2Very low185 Ų185156.4 Ų156.486%0.86482%0.821SS**  178.210895.5-90.1-177.12.800113.5
1272S28.9Very low29.1Very low98 Ų98152.8 Ų152.869%0.68581%0.81SS**  trans8.9143.7142.563.30000125.4
1273R29.1Very low29Very low231 Ų231154.5 Ų154.587%0.87281%0.81SS**  trans97.396136.2-82.4169.3-176.7-178.92.9120.4
1274K28.1Very low29Very low200 Ų200157.2 Ų157.287%0.8781%0.809SS**  154.3106.2112.3-87.4-179.2178.1179.60111.8
1275M29.9Very low28.8Very low194 Ų194160.2 Ų160.296%0.95681%0.809SS**  trans171.295.2144.5-87.5-110-126.100107.3
1276N25.8Very low29Very low163 Ų163157.2 Ų157.287%0.87280%0.801SS**  trans-90.4121.5170.9-79.8-10.7000107.9
1277E25.8Very low28.9Very low197 Ų197157.2 Ų157.292%0.92180%0.797SS**  trans175.6132.4143.5-98.8167.3-164.800109.7
1278C25.6Very low28.8Very low128 Ų128162.4 Ų162.487%0.86580%0.803SS**  trans79.174.1170.9-80.10000121.1
1279T26.3Very low28.6Very low140 Ų140158.9 Ų158.986%0.85980%0.797SS**  trans179.4169.5132.88.50000107.9
1280P34.7Very low28.4Very low109 Ų109161.4 Ų161.471%0.70880%0.802SS**  cis-136.9170.2-19.537-20.1000112.6
1281Q29.8Very low28.3Very low194 Ų194160.9 Ų160.991%0.90780%0.799SS**  trans-149.590.6150.9-75.3-152.4-2.200113.1
1282L26.9Very low28.1Very low132 Ų132158.1 Ų158.169%0.69179%0.789SS**  trans-69.4155.7140.2-86.1145.4000109
1283Q26.3Very low28.1Very low155 Ų155159.3 Ų159.372%0.72479%0.792SS**  trans86.699.7165-59.4-179.5-8.300120.3
1284K29.9Very low28.2Very low210 Ų210154.9 Ų154.991%0.91378%0.784SS**  -140.2106.6126.8-77.5-178.8179.3172.70104.6
1285K26.1Very low28.3Very low165 Ų165151.8 Ų151.872%0.71778%0.777SS**  cis59.7120.939.2-126.6-173.3-173.2179.40114.2
1286I29.6Very low28.2Very low139 Ų139149.5 Ų149.571%0.71377%0.769SS**  trans11197.2146.8-57.4159.6000113.7
1287T26.9Very low28.4Very low110 Ų110150.7 Ų150.768%0.67577%0.769SS**  70.6135.376.3490000117.3
1288W30.5Very low28.8Very low230 Ų230148.9 Ų148.987%0.87176%0.764SS**  trans104.3107.4160.8-59.77.5000115.3
1289S27.3Very low29Very low88 Ų88151.5 Ų151.562%0.61576%0.756SS**  70.1122.66181.90000114.4
1290K26.4Very low29.4Very low182 Ų182153.5 Ų153.579%0.79175%0.753SS**  trans65.4123.9148.2-67.9-178.8-178.9-178.60114.4
1291D28.3Very low29.5Very low129 Ų129158.1 Ų158.169%0.6976%0.761SS**  171.3152.357.1-105.9-22.6000109.2
1292I29.1Very low29.7Very low126 Ų126155.5 Ų155.565%0.64675%0.749SS**  trans72.2104.3136.9-59.2164.3000119.1
1293T28.3Very low30.1Very low124 Ų124157.5 Ų157.576%0.76175%0.752SS**  24.5139.5118.3-14.20000119
1294I30.9Very low30.4Very low138 Ų138158.1 Ų158.171%0.70876%0.761SS**  trans123104.8151.5-62.7158.8000114.4
1295N30.1Very low30.6Very low135 Ų135156.9 Ų156.972%0.72276%0.758SS**  trans54.7115.6137.2-62.5-23.5000121.1
1296N27.9Very low30.8Very low146 Ų146158.1 Ų158.178%0.78176%0.758SS**  36.5129.1117.1-72.8-17000118.9
1297E30.5Very low31Very low188 Ų188160.6 Ų160.688%0.87976%0.764SS**  trans90.633.5157.4-56.4-164.715200120.7
1298I33.1Very low31.3Very low158 Ų158162.4 Ų162.481%0.8177%0.77SS**  trans-140.294.3153.7-61.993.6000109.8
1299R31.4Very low31.6Very low184 Ų184158.2 Ų158.269%0.69476%0.76SS**  trans176.838.9145.8-96.1163.2-176.3-174.33.9114.1K1301R1299-K1301 PolarHBondContact O-N 3.42Å
1300K33.6Very low31.9Very low181 Ų181159.4 Ų159.479%0.78776%0.759SS**THydrogen-bonded Turntrans-78.19.8164-109-177.3178.7-176.40113.7
1301K36.3Very low32.2Very low206 Ų206157.9 Ų157.990%0.89676%0.76SS**THydrogen-bonded Turntrans-134.313.2-172.8-81.6-171.6175.6179.80117.4R1299R1299-K1301 PolarHBondContact O-N 3.42Å
1302Q35.2Very low32.4Very low140 Ų140160 Ų16065%0.65477%0.766SS**  trans-133.437176.7-77.7-176.5-21.800113.8
1303K34.1Very low32.4Very low173 Ų173160.1 Ų160.175%0.75277%0.767SS**  trans-97.110.6-174.5-120.9178.3-177.4179.50116.1
1304N34Very low32.5Very low168 Ų168161.2 Ų161.290%0.89877%0.767SS**SBendtrans-124.216.5-179-80.4-8.7000115
1305Q32.4Very low32.5Very low184 Ų184165.3 Ų165.386%0.8678%0.775SS**SBendtrans-133.16-178.9-128.6170.70.200115.8
1306W31.7Very low32.4Very low191 Ų191167.3 Ų167.372%0.72378%0.78SS**  trans-124.466174.1-84-17.6000111.5
1307K32.6Very low32.4Very low192 Ų192165.3 Ų165.384%0.83578%0.778SS**SBendtrans-125.47173.6-116.9-175.8178.6-1720114.9
1308N34.8Very low32.3Very low148 Ų148165.5 Ų165.579%0.79178%0.779SS**SBendtrans-129.716-179.6-82.28.2000115.1
1309E35.1Very low32Very low141 Ų141167.3 Ų167.366%0.65978%0.781SS**SBendtrans-129.73.6-179.3-76.9-179.1160.300115.4
1310N34.9Very low31.8Very low114 Ų114162.8 Ų162.861%0.6178%0.777SS**SBendtrans-109.21.3178.7-81.8-29.6000115.2
1311D32.9Very low31.7Very low150 Ų150160.4 Ų160.480%0.80277%0.767SS**SBendtrans-95.17.3174-72.3-28.2000113.1
1312Q31.1Very low31.3Very low173 Ų173152.2 Ų152.281%0.80874%0.736SS**SBendtrans-112.71.7174-100.8174.6-6.400114.4
1313L30.1Very low31.3Very low128 Ų128148.9 Ų148.967%0.6773%0.725SS**SBendtrans-117.111.1178.4-81.4164.1000114.1
1314L30.5Very low31.3Very low148 Ų148143.5 Ų143.578%0.77571%0.705SS**SBendtrans-111.318.3176.2-113.2120.9000113.5
1315Y30Very low31.6Very low223 Ų223140 Ų14088%0.87568%0.679SS**SBendtrans-117.511-179.7-119.1-85.7000114.3
1316E28.3Very low31.8Very low177 Ų177132.6 Ų132.683%0.82765%0.645SS**SBendtrans-120.613.9-177.1-72.8-169.9158.100115.3
1317S28Very low32.3Very low104 Ų104124.9 Ų124.973%0.72762%0.618SS**  trans-130.826.9-175.172.70000116.8
1318E28.1Very low32.7Very low193 Ų193118.1 Ų118.190%0.90259%0.59SS**  trans-10870.7170.3-71.7-171.2164.600111S1320E1318-S1320 PolarHBondContact O-N 3.34Å
1319K26.7Very low33.1Very low195 Ų195112 Ų11285%0.84856%0.558SS**  trans-83103.8160.7-79.5-173.9176.5-177.60108
1320S27.9Very low33.4Very low89 Ų89106.2 Ų106.262%0.62253%0.531SS*.  trans-90134.4173.739.30000109.9E1318E1318-S1320 PolarHBondContact O-N 3.34Å
1321F30.9Very low33.6Very low131 Ų131100.8 Ų100.858%0.57550%0.502SS*.  trans-79.8158.2-168.6-65.7-103000113H159H159-F1321 AromaticContact CE1-CD1 3.86Å; H159-F1321 AromaticContact CE1-CE1 3.78Å
1322S29.2Very low34.2Very low35 Ų3595.3 Ų95.325%0.24547%0.47CS..  trans-139.9109.4-163.6-162.20000114.9D160 D364D160-S1322 PolarHBondContact OD2-N 2.99Å; D364-S1322 WeakPolarHBondContact OD1-CB 3.38Å; D364-S1322 PolarHBondContact OD1-OG 3.49Å; D364-S1322 WeakPolarHBondContact OD2-CB 3.18Å; D364-S1322 PolarHBondContact OD2-OG 3.06Å
1323V33.9Very low34.8Very low70 Ų7087.4 Ų87.442%0.42443%0.434SS..  trans-97.9136169.5-178.70000109.5D160 Y1325 I1328D160-V1323 HydrophobicContact CB-CG2 4.35Å; D160-V1323 WeakPolarHBondContact OD2-CG2 3.08Å; V1323-Y1325 PolarHBondContact O-N 3.03Å; V1323-Y1325 VanDerWaalsContact O-N 3.15Å; V1323-I1328 HydrophobicContact CB-CD1 4.38Å; V1323-I1328 HydrophobicContact CG1-CD1 3.98Å; V1323-I1328 HydrophobicContact CG1-CG1 4.37Å
1324D34.8Very low35.3Very low60 Ų6083.3 Ų83.332%0.32141%0.412SS..  trans-52.1114.2176.9-168-10.1000112.1Q1326 L1327D1324-Q1326 PolarHBondContact O-N 3.41Å; D1324-Q1326 WeakPolarHBondContact OD1-CB 3.38Å; D1324-Q1326 PolarHBondContact OD1-N 3.17Å; D1324-Q1326 VanDerWaalsContact OD1-N 3.12Å; D1324-L1327 PolarHBondContact O-N 2.91Å
1325Y39.8Very low35.6Very low93 Ų9379.2 Ų79.237%0.36539%0.39SS..Hα-helixtrans-59.7-14.2179.3-82.6-81.7000113.6R551 V1323 N1329R551-Y1325 WeakPolarHBondContact CD-OH 3.19Å; R551-Y1325 WeakPolarHBondContact CG-OH 3.48Å; R551-Y1325 PolarHBondContact NE-OH 3.1Å; V1323-Y1325 PolarHBondContact O-N 3.03Å; V1323-Y1325 VanDerWaalsContact O-N 3.15Å; Y1325-N1329 PolarHBondContact O-ND2 3.33Å
1326Q36.7Very low36Very low29 Ų2969.9 Ų69.914%0.13636%0.359CS..Hα-helixtrans-70-48.9175.2-133.2105.369.200112.2S341 T342 D1324 I1328 N1329 D1330S341-Q1326 VanDerWaalsContact O-CD 3.3Å; S341-Q1326 PolarHBondContact O-OE1 2.83Å; S341-Q1326 PolarHBondContact OG-NE2 2.77Å; S341-Q1326 PolarHBondContact OG-OE1 3.39Å; T342-Q1326 VanDerWaalsContact CA-CD 3.45Å; T342-Q1326 HydrophobicContact CG2-CG 4.26Å; T342-Q1326 VanDerWaalsContact CG2-NE2 3.25Å; T342-Q1326 VanDerWaalsContact N-CD 3.3Å; D1324-Q1326 PolarHBondContact O-N 3.41Å; D1324-Q1326 WeakPolarHBondContact OD1-CB 3.38Å; D1324-Q1326 PolarHBondContact OD1-N 3.17Å; D1324-Q1326 VanDerWaalsContact OD1-N 3.12Å; Q1326-I1328 VanDerWaalsContact C-N 3.34Å; Q1326-I1328 PolarHBondContact O-N 3.28Å; Q1326-N1329 PolarHBondContact O-N 3.29Å; Q1326-D1330 PolarHBondContact O-N 2.98Å
1327L41.5Very low36.6Very low30 Ų3062.1 Ų62.116%0.15732%0.324CS..Hα-helixtrans-68.1-36.3-169.1-124.188.2000112.3P77 T78 D1324P77-L1327 WeakPolarHBondContact O-CD2 3.28Å; T78-L1327 HydrophobicContact CG2-CD1 3.45Å; T78-L1327 VanDerWaalsContact CG2-CD1 3.45Å; T78-L1327 HydrophobicContact CG2-CG 4.41Å; D1324-L1327 PolarHBondContact O-N 2.91Å
1328I41.7Very low37Very low50 Ų5061.4 Ų61.426%0.25631%0.312SS..Hα-helixtrans-70.5-44.7-178.8-62.7175000109.9V1323 Q1326 D1330 G1331V1323-I1328 HydrophobicContact CB-CD1 4.38Å; V1323-I1328 HydrophobicContact CG1-CD1 3.98Å; V1323-I1328 HydrophobicContact CG1-CG1 4.37Å; Q1326-I1328 VanDerWaalsContact C-N 3.34Å; Q1326-I1328 PolarHBondContact O-N 3.28Å; I1328-D1330 VanDerWaalsContact C-N 3.33Å; I1328-D1330 PolarHBondContact O-N 3.43Å; I1328-G1331 PolarHBondContact O-N 3.37Å
1329N42.8Very low37.6Very low20 Ų2056.6 Ų56.611%0.10729%0.291CS..Hα-helixtrans-73.1-21.6-176.8-72.1-49.6000114.1R264 A315 R322 Y1325 Q1326 C1333R264-N1329 PolarHBondContact NH2-ND2 3.13Å; A315-N1329 HydrophobicContact CB-CB 3.62Å; R322-N1329 PolarHBondContact NH2-O 3.1Å; Y1325-N1329 PolarHBondContact O-ND2 3.33Å; Q1326-N1329 PolarHBondContact O-N 3.29Å; N1329-C1333 PolarHBondContact O-SG 3.33Å
1330D42.6Very low38Very low19 Ų1950.1 Ų50.110%0.10226%0.263CS..Hα-helixtrans-74.8-30.5177.2-74.5-24.1000113R322 Q1326 I1328 C1333R322-D1330 IonicContact CZ-OD1 3.69Å; R322-D1330 IonicContact NH1-OD1 2.68Å; R322-D1330 PolarHBondContact NH1-OD1 3.02Å; R322-D1330 IonicContact NH2-OD1 3.83Å; R322-D1330 PolarHBondContact NH2-OD1 3.37Å; Q1326-D1330 PolarHBondContact O-N 2.98Å; I1328-D1330 VanDerWaalsContact C-N 3.33Å; I1328-D1330 PolarHBondContact O-N 3.43Å; D1330-C1333 PolarHBondContact O-N 3.1Å
1331G37.9Very low38.5Very low0 Ų053.4 Ų53.40%027%0.266CS..Hα-helixtrans-70.4-35171.400000114.5D106 I1328 C1333 E1334 L1335D106-G1331 WeakPolarHBondContact OD2-CA 3.36Å; D106-G1331 VanDerWaalsContact OD2-O 3.07Å; I1328-G1331 PolarHBondContact O-N 3.37Å; G1331-C1333 PolarHBondContact O-N 3.01Å; G1331-C1333 VanDerWaalsContact O-N 3.14Å; G1331-E1334 PolarHBondContact O-N 2.99Å; G1331-L1335 PolarHBondContact O-N 3.39Å
1332W45.4Very low38.8Very low34 Ų3448.9 Ų48.913%0.12925%0.251CS..Hα-helixtrans-63.7-24177.8-76105.1000113.8Q607 E610 K611 L1335Q607-W1332 HydrophobicContact CB-CD2 4.14Å; Q607-W1332 HydrophobicContact CB-CE3 4.03Å; Q607-W1332 HydrophobicContact CB-CZ3 4.45Å; Q607-W1332 HydrophobicContact CG-CD2 4.27Å; Q607-W1332 HydrophobicContact CG-CE3 3.95Å; Q607-W1332 WeakPolarHBondContact O-CH2 3.3Å; E610-W1332 HydrophobicContact CB-CH2 3.59Å; E610-W1332 HydrophobicContact CB-CZ3 3.75Å; E610-W1332 HydrophobicContact CG-CH2 3.63Å; E610-W1332 HydrophobicContact CG-CZ3 3.74Å; K611-W1332 HydrophobicContact CB-CH2 4.27Å; K611-W1332 HydrophobicContact CB-CZ2 3.72Å; K611-W1332 HydrophobicContact CG-CZ2 4.33Å; W1332-L1335 HydrophobicContact CE3-CD2 4.17Å; W1332-L1335 HydrophobicContact CZ3-CD2 3.97Å
1333C44.4Very low39.2Very low8 Ų848 Ų485%0.05424%0.242CC..Hα-helixtrans-79.2-40.2-178.4-75.30000111V319 R322 N1329 D1330 G1331 L1335 A1336 C1337V319-C1333 HydrophobicContact CB-CB 3.85Å; V319-C1333 HydrophobicContact CG1-CB 3.41Å; V319-C1333 VanDerWaalsContact CG1-CB 3.41Å; V319-C1333 VanDerWaalsContact CG1-O 3.29Å; V319-C1333 WeakPolarHBondContact CG1-O 3.49Å; V319-C1333 HydrophobicContact CG2-CB 3.58Å; V319-C1333 WeakPolarHBondContact CG2-O 3.07Å; V319-C1333 WeakPolarHBondContact CG2-SG 3.46Å; R322-C1333 PolarHBondContact NE-SG 3.31Å; R322-C1333 PolarHBondContact NH2-SG 3.45Å; N1329-C1333 PolarHBondContact O-SG 3.33Å; D1330-C1333 PolarHBondContact O-N 3.1Å; G1331-C1333 PolarHBondContact O-N 3.01Å; G1331-C1333 VanDerWaalsContact O-N 3.14Å; C1333-L1335 VanDerWaalsContact C-N 3.29Å; C1333-L1335 PolarHBondContact O-N 3.21Å; C1333-A1336 PolarHBondContact O-N 3.15Å; C1333-A1336 VanDerWaalsContact O-N 3.14Å; C1333-C1337 PolarHBondContact O-N 3.39Å
1334E39.5Very low39.5Very low42 Ų4249.9 Ų49.920%0.19625%0.25CC..Hα-helixtrans-66.8-28.9173.8-71-179.1150.700113.1S83 G1331 A1336 C1337 L1338S83-E1334 WeakPolarHBondContact CB-OE1 2.87Å; S83-E1334 VanDerWaalsContact OG-CD 3.3Å; S83-E1334 PolarHBondContact OG-OE1 3.43Å; S83-E1334 PolarHBondContact OG-OE2 3.31Å; G1331-E1334 PolarHBondContact O-N 2.99Å; E1334-A1336 VanDerWaalsContact C-N 3.32Å; E1334-A1336 PolarHBondContact O-N 2.99Å; E1334-C1337 CarbonylContact O-C 3.5Å; E1334-C1337 PolarHBondContact O-N 3.19Å; E1334-C1337 VanDerWaalsContact O-N 3.16Å; E1334-L1338 WeakPolarHBondContact O-CB 3.35Å; E1334-L1338 PolarHBondContact O-N 2.91Å
1335L36.8Very low39.6Very low62 Ų6248.7 Ų48.733%0.32525%0.252SS..Hα-helixtrans-61.6-38.3171.3-161.677.2000112.4G1331 W1332 C1333 C1337 I1339G1331-L1335 PolarHBondContact O-N 3.39Å; W1332-L1335 HydrophobicContact CE3-CD2 4.17Å; W1332-L1335 HydrophobicContact CZ3-CD2 3.97Å; C1333-L1335 VanDerWaalsContact C-N 3.29Å; C1333-L1335 PolarHBondContact O-N 3.21Å; L1335-C1337 VanDerWaalsContact C-N 3.34Å; L1335-I1339 WeakPolarHBondContact O-CD1 3.1Å; L1335-I1339 WeakPolarHBondContact O-CG1 3.38Å; L1335-I1339 PolarHBondContact O-N 3.1Å
1336A39.4Very low39.5Very low26 Ų2645.9 Ų45.922%0.21524%0.243CC..Hα-helixtrans-72.6-29.1175.700000112.5V319 C1333 E1334 K1340V319-A1336 HydrophobicContact CB-CB 4.4Å; V319-A1336 HydrophobicContact CG2-CB 3.53Å; C1333-A1336 PolarHBondContact O-N 3.15Å; C1333-A1336 VanDerWaalsContact O-N 3.14Å; E1334-A1336 VanDerWaalsContact C-N 3.32Å; E1334-A1336 PolarHBondContact O-N 2.99Å; A1336-K1340 PolarHBondContact O-N 3.41Å
1337C39.9Very low39.5Very low14 Ų1449 Ų4910%0.09526%0.26CS..Hα-helixtrans-78.8-30.9174.7-65.70000112.6V319 E320 K323 C1333 E1334 L1335 K1340 F1341V319-C1337 VanDerWaalsContact CG1-SG 3.55Å; E320-C1337 PolarHBondContact OE1-SG 3.01Å; K323-C1337 WeakPolarHBondContact CE-SG 3.42Å; K323-C1337 PolarHBondContact NZ-SG 3.19Å; C1333-C1337 PolarHBondContact O-N 3.39Å; E1334-C1337 CarbonylContact O-C 3.5Å; E1334-C1337 PolarHBondContact O-N 3.19Å; E1334-C1337 VanDerWaalsContact O-N 3.16Å; L1335-C1337 VanDerWaalsContact C-N 3.34Å; C1337-K1340 CarbonylContact O-C 3.59Å; C1337-K1340 PolarHBondContact O-N 3.38Å; C1337-F1341 WeakPolarHBondContact O-CB 3.4Å; C1337-F1341 PolarHBondContact O-N 2.96Å
1338L37Very low39.3Very low90 Ų9055.3 Ų55.347%0.47129%0.288SS..Hα-helixtrans-67.6-38.7170.7-92156.8000111D106 E1334 K1340 F1341 S1342D106-L1338 HydrophobicContact CB-CD1 4.44Å; E1334-L1338 WeakPolarHBondContact O-CB 3.35Å; E1334-L1338 PolarHBondContact O-N 2.91Å; L1338-K1340 VanDerWaalsContact C-N 3.28Å; L1338-K1340 PolarHBondContact O-N 2.71Å; L1338-F1341 PolarHBondContact O-N 3.26Å; L1338-S1342 VanDerWaalsContact O-CB 3.24Å; L1338-S1342 WeakPolarHBondContact O-CB 3.48Å; L1338-S1342 PolarHBondContact O-N 3.13Å; L1338-S1342 PolarHBondContact O-OG 2.64Å
1339I40.4Very low38.9Very low91 Ų9160.2 Ų60.247%0.46731%0.31SS..Hα-helixtrans-57.6-43.9169.1-68.7163.8000110.1L1335 S1342 E1343L1335-I1339 WeakPolarHBondContact O-CD1 3.1Å; L1335-I1339 WeakPolarHBondContact O-CG1 3.38Å; L1335-I1339 PolarHBondContact O-N 3.1Å; I1339-S1342 PolarHBondContact O-OG 3.31Å; I1339-E1343 WeakPolarHBondContact CG2-OE1 2.85Å; I1339-E1343 WeakPolarHBondContact O-CB 3.44Å; I1339-E1343 WeakPolarHBondContact O-CG 3.35Å; I1339-E1343 PolarHBondContact O-N 3.18Å
1340K36.4Very low38.5Very low60 Ų6066 Ų6626%0.26134%0.337SS..Hα-helixtrans-75.5-31.4-179.9-120168168.8-172.60115.2E320 A1336 C1337 L1338 L1344E320-K1340 HydrophobicContact CG-CD 4.35Å; E320-K1340 WeakPolarHBondContact OE1-CD 3.47Å; E320-K1340 IonicContact OE1-NZ 3.39Å; E320-K1340 IonicContact OE2-NZ 2.66Å; E320-K1340 PolarHBondContact OE2-NZ 3.48Å; A1336-K1340 PolarHBondContact O-N 3.41Å; C1337-K1340 CarbonylContact O-C 3.59Å; C1337-K1340 PolarHBondContact O-N 3.38Å; L1338-K1340 VanDerWaalsContact C-N 3.28Å; L1338-K1340 PolarHBondContact O-N 2.71Å; K1340-L1344 WeakPolarHBondContact O-CG 3.48Å; K1340-L1344 PolarHBondContact O-N 2.93Å; K1340-L1344 VanDerWaalsContact O-N 3.12Å
1341F37.6Very low37.9Very low158 Ų15871.5 Ų71.569%0.69337%0.365SS*.Hα-helixtrans-85.8-31.1179.2-121.5-85.8000111.9C1337 L1338 L1344 G1345C1337-F1341 WeakPolarHBondContact O-CB 3.4Å; C1337-F1341 PolarHBondContact O-N 2.96Å; L1338-F1341 PolarHBondContact O-N 3.26Å; F1341-L1344 PolarHBondContact O-N 2.72Å; F1341-G1345 PolarHBondContact O-N 3.06Å
1342S37Very low37.4Very low35 Ų3580.4 Ų80.425%0.24540%0.403CS..Hα-helixtrans-67.6-40.3166.571.20000109.9L1338 I1339 L1344 G1345 L1346L1338-S1342 VanDerWaalsContact O-CB 3.24Å; L1338-S1342 WeakPolarHBondContact O-CB 3.48Å; L1338-S1342 PolarHBondContact O-N 3.13Å; L1338-S1342 PolarHBondContact O-OG 2.64Å; I1339-S1342 PolarHBondContact O-OG 3.31Å; S1342-L1344 VanDerWaalsContact C-N 3.29Å; S1342-L1344 PolarHBondContact O-N 2.88Å; S1342-G1345 PolarHBondContact O-N 3.22Å; S1342-L1346 VanDerWaalsContact O-CB 3.3Å; S1342-L1346 WeakPolarHBondContact O-CB 3.48Å; S1342-L1346 VanDerWaalsContact O-CD1 3.28Å; S1342-L1346 WeakPolarHBondContact O-CD1 3.44Å; S1342-L1346 WeakPolarHBondContact O-CG 3.49Å; S1342-L1346 PolarHBondContact O-N 3.4Å
1343E38Very low36.8Very low16 Ų1684.4 Ų84.48%0.07543%0.433CS..Hα-helixtrans-59.6-37.7172.9-79.4164.1175.800112.6L1074 K1076 D1077 I1339 L1347L1074-E1343 WeakPolarHBondContact CB-OE1 3.29Å; L1074-E1343 WeakPolarHBondContact CD1-OE2 3.42Å; L1074-E1343 HydrophobicContact CD2-CB 4.4Å; L1074-E1343 HydrophobicContact CD2-CG 4.08Å; L1074-E1343 WeakPolarHBondContact CD2-OE2 3.48Å; K1076-E1343 WeakPolarHBondContact O-CG 3.35Å; D1077-E1343 HydrophobicContact CB-CG 3.98Å; D1077-E1343 WeakPolarHBondContact OD2-CA 3.14Å; I1339-E1343 WeakPolarHBondContact CG2-OE1 2.85Å; I1339-E1343 WeakPolarHBondContact O-CB 3.44Å; I1339-E1343 WeakPolarHBondContact O-CG 3.35Å; I1339-E1343 PolarHBondContact O-N 3.18Å; E1343-L1347 WeakPolarHBondContact O-CB 3.47Å; E1343-L1347 WeakPolarHBondContact O-CD1 3.33Å; E1343-L1347 WeakPolarHBondContact O-CG 3.49Å; E1343-L1347 PolarHBondContact O-N 3.21Å
1344L39.1Very low36.1Very low111 Ų11190.7 Ų90.758%0.58147%0.467SS*.Hα-helixtrans-79.9-28175.8-74.6166.3000113.8K1340 F1341 S1342 H1348K1340-L1344 WeakPolarHBondContact O-CG 3.48Å; K1340-L1344 PolarHBondContact O-N 2.93Å; K1340-L1344 VanDerWaalsContact O-N 3.12Å; F1341-L1344 PolarHBondContact O-N 2.72Å; S1342-L1344 VanDerWaalsContact C-N 3.29Å; S1342-L1344 PolarHBondContact O-N 2.88Å; L1344-H1348 PolarHBondContact O-N 3.22Å
1345G38Very low35.6Very low35 Ų3593.2 Ų93.236%0.36149%0.489SS..Hα-helixtrans-75.1-34.5174.600000113.2F1341 S1342 H1348 E1349F1341-G1345 PolarHBondContact O-N 3.06Å; S1342-G1345 PolarHBondContact O-N 3.22Å; G1345-H1348 PolarHBondContact O-N 3.05Å; G1345-E1349 PolarHBondContact O-N 3.21Å
1346L37.3Very low35.3Very low33 Ų3397.5 Ų97.517%0.17351%0.511CS..Hα-helixtrans-83.4-24.4179.9-74.8150.4000113.1D1077 N1078 S1342 H1348 Q1350D1077-L1346 HydrophobicContact CB-CB 3.93Å; D1077-L1346 HydrophobicContact CB-CD1 3.53Å; D1077-L1346 HydrophobicContact CB-CG 4.33Å; D1077-L1346 VanDerWaalsContact CG-CB 3.48Å; D1077-L1346 WeakPolarHBondContact OD1-CB 3.4Å; N1078-L1346 HydrophobicContact CB-CD1 4.4Å; N1078-L1346 VanDerWaalsContact ND2-CD1 3.29Å; N1078-L1346 WeakPolarHBondContact ND2-CD1 3.26Å; N1078-L1346 WeakPolarHBondContact OD1-CD1 3.31Å; S1342-L1346 VanDerWaalsContact O-CB 3.3Å; S1342-L1346 WeakPolarHBondContact O-CB 3.48Å; S1342-L1346 VanDerWaalsContact O-CD1 3.28Å; S1342-L1346 WeakPolarHBondContact O-CD1 3.44Å; S1342-L1346 WeakPolarHBondContact O-CG 3.49Å; S1342-L1346 PolarHBondContact O-N 3.4Å; L1346-H1348 VanDerWaalsContact C-N 3.26Å; L1346-Q1350 WeakPolarHBondContact O-CG 3.46Å
1347L37.5Very low34.7Very low96 Ų96100.5 Ų100.550%0.50353%0.53SS..Hα-helixtrans-69.9-20.9162.4-80.4163.6000112.8E1343E1343-L1347 WeakPolarHBondContact O-CB 3.47Å; E1343-L1347 WeakPolarHBondContact O-CD1 3.33Å; E1343-L1347 WeakPolarHBondContact O-CG 3.49Å; E1343-L1347 PolarHBondContact O-N 3.21Å
1348H35.8Very low34.2Very low162 Ų162106.6 Ų106.675%0.7557%0.567SS**Hα-helixtrans-93.3-13.7178.5-135-76000113.9L1344 G1345 L1346L1344-H1348 PolarHBondContact O-N 3.22Å; G1345-H1348 PolarHBondContact O-N 3.05Å; L1346-H1348 VanDerWaalsContact C-N 3.26Å
1349E33.9Very low33.8Very low152 Ų152105.4 Ų105.471%0.7158%0.576SS**Hα-helixtrans-96.6-7.6173.4-74.3-169.1153.700114.2G1345G1345-E1349 PolarHBondContact O-N 3.21Å
1350Q34.1Very low33.4Very low142 Ų142107.7 Ų107.766%0.66460%0.595SS**SBendtrans-92.510.5175.7-71.4-178.612.600114.3L1346L1346-Q1350 WeakPolarHBondContact O-CG 3.46Å
1351I30.4Very low33.1Very low135 Ų135113.2 Ų113.269%0.69262%0.622SS**  trans-122.572.4173.3-49.9177.5000109.2
1352K28Very low32.7Very low187 Ų187111.6 Ų111.681%0.81363%0.625SS**  trans-102.4106.9160.4-84.3-175.91771760108.9
1353P31.7Very low32.5Very low117 Ų117115.6 Ų115.676%0.7665%0.65SS**  trans-86.1110.2157.830.7-21.9000108
1354N31Very low32.2Very low141 Ų141123.6 Ų123.675%0.75469%0.687SS**  trans-63.2132167.6-82.9-17.5000110.3
1355S28.8Very low31.8Very low95 Ų95124.3 Ų124.366%0.66470%0.699SS**  trans35.5129141.662.70000118.4
1356I29.2Very low31.4Very low152 Ų152127.7 Ų127.778%0.77972%0.716SS**  -172.7147.491.2-86.4152.8000111.1
1357S27.6Very low31Very low88 Ų88131.9 Ų131.962%0.61575%0.747SS**  trans62.8103.7155.268.10000118.9
1358T28.5Very low30.6Very low142 Ų142131.9 Ų131.987%0.87176%0.755SS**  57.3116.187.564.80000114.5
1359G28.3Very low30.4Very low65 Ų65133.8 Ų133.867%0.6776%0.761SS**  trans148.693155.700000115.6
1360T32.7Very low30.2Very low140 Ų140137.1 Ų137.186%0.85977%0.768SS**  trans66.997.213759.30000120.5
1361E29.5Very low30.1Very low176 Ų176137.9 Ų137.982%0.82277%0.771SS**  35.1121.6125.1-73.4-173.6167.200123.5
1362T30.8Very low30.1Very low124 Ų124137.7 Ų137.776%0.76177%0.771SS**  trans78161.5133.663.50000120
1363P32Very low30.1Very low118 Ų118135.7 Ų135.777%0.76676%0.764SS**  cis-130.9174.5-45.634.6-16.6000113.5
1364Q31.5Very low29.9Very low185 Ų185139 Ų13986%0.86476%0.763SS**  trans-60.1162.8-178.3-70.6-155-36.500116.2
1365P31.4Very low30Very low126 Ų126138.5 Ų138.582%0.81876%0.756SS**  -144.3163.5113.434.9-18000116.8
1366S28.3Very low30Very low105 Ų105141.4 Ų141.473%0.73476%0.757SS**  trans-74.1154.6177.853.10000117
1367C29.6Very low30Very low122 Ų122140.4 Ų140.482%0.82475%0.753SS**  trans159.3156.9141.8-106.60000108.3
1368S30.1Very low30.2Very low96 Ų96143.8 Ų143.867%0.67176%0.757SS**  cis173.8130.8-24.8540000106.1
1369K31.4Very low30.4Very low201 Ų201143.8 Ų143.887%0.87475%0.747SS**  trans44.1150146.6-73.2-176.9174.2177.80123.7
1370R29.8Very low30.4Very low223 Ų223147.6 Ų147.684%0.84275%0.747SS**  trans96.6134.6159.8-66.9-178.6-177.6171.41.4114
1371Q32.4Very low30.1Very low157 Ų157147.5 Ų147.573%0.73474%0.735SS**  cis-153.2142.121.1-102136.8-30.300108.2
1372L28.9Very low30.2Very low132 Ų132146.9 Ų146.969%0.69173%0.731SS**  46.1140.690.5-69.4138.6000113.8
1373E28.6Very low30Very low144 Ų144147.6 Ų147.667%0.67373%0.728SS**  cis-179.1-172.2-6.7-108.3175.9168.500103.6
1374Y28.3Very low29.7Very low186 Ų186151 Ų15173%0.72973%0.727SS**  trans80.8136.3160.3-81.6-107.8000116.7
1375E32.3Very low29.5Very low131 Ų131149.1 Ų149.161%0.61272%0.723SS**  cis-171.3138.40-124.5-175168.500107.2
1376K27.9Very low29.3Very low157 Ų157147.9 Ų147.968%0.68372%0.723SS**  62.8132.1109.2-84.5-176.3179.1170.20120.2
1377D29.5Very low29.4Very low130 Ų130150.3 Ų150.370%0.69573%0.728SS**  trans67.9122.4137.5-58.1-20.5000121
1378K32.9Very low29.3Very low160 Ų160152.4 Ų152.470%0.69673%0.729SS**  164.8116.9114.6-90.8179.9165-102.50112
1379E32Very low29.7Very low142 Ų142152.5 Ų152.566%0.66473%0.728SS**  82.2108104.2-73.1170.2-179.300113
1380E28.4Very low29.5Very low145 Ų145149.6 Ų149.668%0.67872%0.722SS**  83.6124.980.2-87.3-155.2151.200115.4
1381K27.4Very low29.5Very low138 Ų138143.9 Ų143.960%0.672%0.715SS**  trans66.1118.6141.6-64.7170.2-179.1148.60119.5
1382H31.2Very low29.2Very low162 Ų162142.8 Ų142.875%0.7572%0.719SS**  173.9112.598.3-91.3-68.9000112.8
1383M25.8Very low29.9Very low139 Ų139141.7 Ų141.769%0.68572%0.72SS**  33.3113.3119.9-134.6168.950.700119.8
1384Y26.7Very low29.7Very low191 Ų191140.6 Ų140.675%0.74972%0.724SS**  158.7144.6107.1-105.2-71000114
1385N27.5Very low29.5Very low145 Ų145137 Ų13778%0.77572%0.721SS**  trans-39.5146.2171-65.2-33.6000116.7
1386A27.1Very low29.3Very low100 Ų100138.2 Ų138.283%0.82673%0.731SS**  175.6139.1113.800000112.3
1387N28.9Very low29.2Very low155 Ų155135.6 Ų135.683%0.82974%0.738SS**  trans-59.3148.2166.5-69.8-44.7000112.1
1388I27.4Very low29.1Very low166 Ų166137.1 Ų137.185%0.85175%0.746SS**  166.7147.3123.7-83.8160.6000110
1389P38.7Very low28.9Very low99 Ų99139.1 Ų139.164%0.64376%0.755SS**  trans-110.6-173.7-15838-22.6000114.2
1390N28.6Very low28.7Very low140 Ų140143.1 Ų143.175%0.74976%0.763SS**  trans93.5105.6158.2-65.1-19.4000119.2
1391S28Very low28.8Very low102 Ų102142.8 Ų142.871%0.71377%0.771SS**  84.8138.7113.277.30000120.9
1392V27.5Very low28.9Very low134 Ų134139.1 Ų139.181%0.81277%0.773SS**  trans102135.5150.7-173.40000116.2
1393P43.6Very low28.9Very low110 Ų110140.1 Ų140.171%0.71478%0.782SS**  trans-109.1-165.4-148.740.5-27.3000112.6
1394T24.7Very low28.9Very low121 Ų121136.5 Ų136.574%0.74278%0.781SS**  trans115.5131.3150.6-28.20000115.5
1395T24.3Very low28.9Very low110 Ų110134.2 Ų134.268%0.67578%0.779SS**  trans97.9109.9139.5-10.60000120
1396L26.4Very low29Very low156 Ų156135 Ų13582%0.81778%0.782SS**  trans31.1126.7142.7-75.197.4000120.4
1397A26.7Very low28.9Very low102 Ų102136 Ų13684%0.84377%0.774SS**  -164.1122.6128.200000112.2
1398L28.3Very low28.8Very low162 Ų162135.5 Ų135.585%0.84877%0.77SS**  trans-57.3145.8162.1-77.9116.4000112.4
1399K28.5Very low28.7Very low203 Ų203131.5 Ų131.588%0.88376%0.757SS**  trans-179.8106.3144-101.7167.1-177.9-176.50108.3
1400R26.4Very low28.1Very low225 Ų225133.6 Ų133.685%0.84976%0.762SS**  84.4106.480.5-91.9-168.5176.6173.1-0.5114.6
1401T30.7Very low28.1Very low138 Ų138132.4 Ų132.485%0.84776%0.76SS**  68.9131.7124.558.30000122.1
1402G30.4Very low28.4Very low62 Ų62132.4 Ų132.464%0.63976%0.757SS**  trans178.577.8158.300000113.9
1403I29.9Very low28.3Very low182 Ų182132.7 Ų132.793%0.93375%0.754SS**  85.1126.7114.6-59.9151.3000113.6
1404G27.1Very low27.5Very low64 Ų64132.2 Ų132.266%0.6675%0.754SS**  cis179150.72.700000112
1405M26.1Very low27.7Very low143 Ų143136.2 Ų136.270%0.70476%0.756SS**  trans43117.6146.9-68.9-147.471.900121.2D1407M1405-D1407 HydrophobicContact CE-CB 4.23Å
1406L30.3Very low27.9Very low161 Ų161136.9 Ų136.984%0.84376%0.755SS**  -165.686.298.7-102.2154.2000110.6
1407D24.9Very low27.9Very low122 Ų122137.4 Ų137.465%0.65275%0.75SS**  trans-14.3128.7131.6-102.1-21.4000116.2M1405M1405-D1407 HydrophobicContact CE-CB 4.23Å
1408L26.6Very low27.9Very low144 Ų144140.2 Ų140.275%0.75475%0.746SS**  15193.6119.7-82.2148.9000113.2
1409S25Very low28.1Very low81 Ų81145.6 Ų145.657%0.56677%0.767SS**  69.2129.5103.781.10000120.6
1410L26.9Very low28Very low143 Ų143142.7 Ų142.775%0.74976%0.761SS**  trans96.287.3137.9-63.6153.4000118.3
1411T27.3Very low28.1Very low116 Ų116138.4 Ų138.471%0.71276%0.756SS**  52.8162.2100.369.70000119
1412P34.1Very low28Very low101 Ų101138.4 Ų138.466%0.65675%0.751SS**  -123.7-149.7-96.728.3-1.3000107.8
1413D26.4Very low27.8Very low140 Ų140142.9 Ų142.975%0.74976%0.758SS**  trans85.6101.9169.3-47.9-27.7000113.6
1414S27Very low27.7Very low101 Ų101140.4 Ų140.471%0.70675%0.747SS**  161.9127.580.943.40000111.4
1415Y28.4Very low27.8Very low204 Ų204145.5 Ų145.580%0.875%0.753SS**  trans70.6104.8138.2-74.8-108.6000118.1
1416I27.4Very low27.9Very low125 Ų125145.7 Ų145.764%0.64176%0.756SS**  92.9131.174-82.8-176.9000111.7
1417K28.2Very low27.7Very low167 Ų167144.5 Ų144.573%0.72675%0.75SS**  trans85136.1162.6-77.3166.9178.4-151.20117.1
1418E25.9Very low27.9Very low160 Ų160146.4 Ų146.475%0.74876%0.758SS**  cis-172.3129.5-7-125.6161.9-163.300105
1419E31.8Very low28Very low275 Ų275146.6 Ų146.6100%1.28576%0.758SS**  trans1510147.7-87.1-169.8166.600112

Retrieved 1,419 of 1,419 residues in 2050.1 ms (Link to these results)

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