A0A077YVP6_TRITR Loading...

Sulfate tra GLY and STAS and Sulfate transp domai n containing protein

AlphaFold DB , UniProt , Accession A0A077YVP6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,297 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
1M64.1Low73.1Confident35 Ų3518.7 Ų18.717%0.17210%0.103CC..  0-68.90-67.5176.1-155.800112Y3 G4 T5 A11 L15 L360M1-Y3 VanDerWaalsContact C-N 3.34Å; M1-Y3 PolarHBondContact O-N 3.3Å; M1-G4 WeakPolarHBondContact O-CA 3.41Å; M1-G4 PolarHBondContact O-N 3.03Å; M1-T5 PolarHBondContact O-N 2.84Å; M1-A11 WeakPolarHBondContact CA-O 3.19Å; M1-A11 HydrophobicContact CB-CB 4.05Å; M1-A11 HydrophobicContact CG-CB 4.08Å; M1-A11 WeakPolarHBondContact CG-O 3.3Å; M1-L15 HydrophobicContact CE-CD1 3.36Å; M1-L15 HydrophobicContact CE-CD2 3.89Å; M1-L15 HydrophobicContact CE-CG 3.68Å; M1-L15 HydrophobicContact CG-CD1 4.42Å; M1-L15 HydrophobicContact CG-CG 4.18Å; M1-L360 HydrophobicContact CE-CD1 3.3Å; M1-L360 HydrophobicContact SD-CD1 4.09Å
2A63.3Low73.9Confident0 Ų017.3 Ų17.30%010%0.096CC..Hα-helixtrans-55.9-42.7-177.300000113.9G4 T5 L6 F372A2-G4 PolarHBondContact O-N 3.11Å; A2-T5 PolarHBondContact O-N 3.38Å; A2-T5 PolarHBondContact O-OG1 3.33Å; A2-L6 WeakPolarHBondContact O-CB 3.4Å; A2-L6 PolarHBondContact O-N 2.88Å; A2-F372 HydrophobicContact CB-CB 4.39Å; A2-F372 HydrophobicContact CB-CD1 4.04Å; A2-F372 HydrophobicContact CB-CD2 3.67Å; A2-F372 HydrophobicContact CB-CE1 4.24Å; A2-F372 HydrophobicContact CB-CE2 3.9Å; A2-F372 HydrophobicContact CB-CG 3.74Å; A2-F372 HydrophobicContact CB-CZ 4.18Å
3Y70.8Confident74.9Confident16 Ų1617.6 Ų17.66%0.06310%0.096CC..Hα-helixtrans-72.1-13.6175.7-63.4-19.6000114.3M1 L6 A7 V38 A40 S43M1-Y3 VanDerWaalsContact C-N 3.34Å; M1-Y3 PolarHBondContact O-N 3.3Å; Y3-L6 HydrophobicContact CD1-CD2 4.36Å; Y3-A7 WeakPolarHBondContact O-CB 3.35Å; Y3-A7 PolarHBondContact O-N 2.88Å; Y3-V38 HydrophobicContact CD2-CB 3.68Å; Y3-V38 HydrophobicContact CD2-CG2 3.54Å; Y3-V38 HydrophobicContact CE2-CG2 4.47Å; Y3-V38 HydrophobicContact CG-CB 4.28Å; Y3-V38 HydrophobicContact CG-CG2 4.28Å; Y3-A40 HydrophobicContact CD1-CB 4.33Å; Y3-A40 HydrophobicContact CE1-CB 3.76Å; Y3-S43 WeakPolarHBondContact O-CB 3.39Å; Y3-S43 PolarHBondContact O-OG 3.3Å
4G73.9Confident75.4Confident0 Ų016.4 Ų16.40%09%0.089CC..Hα-helixtrans-72.9-49.616800000111.1M1 A2 L6 A7 G8 L9M1-G4 WeakPolarHBondContact O-CA 3.41Å; M1-G4 PolarHBondContact O-N 3.03Å; A2-G4 PolarHBondContact O-N 3.11Å; G4-L6 VanDerWaalsContact C-N 3.32Å; G4-L6 PolarHBondContact O-N 3.39Å; G4-A7 WeakPolarHBondContact O-CA 3.49Å; G4-A7 WeakPolarHBondContact O-CB 3.49Å; G4-A7 PolarHBondContact O-N 3.08Å; G4-G8 PolarHBondContact O-N 3.4Å; G4-L9 CarbonylContact C-O 3.59Å; G4-L9 PolarHBondContact O-N 2.83Å; G4-L9 VanDerWaalsContact O-O 3.06Å
5T71.9Confident75.9Confident28 Ų2816.4 Ų16.417%0.1729%0.089CC..Hα-helixtrans-64.3-36.9174.642.90000112M1 A2 A7 G8 L9M1-T5 PolarHBondContact O-N 2.84Å; A2-T5 PolarHBondContact O-N 3.38Å; A2-T5 PolarHBondContact O-OG1 3.33Å; T5-A7 PolarHBondContact O-N 3.4Å; T5-G8 PolarHBondContact O-N 2.91Å; T5-L9 VanDerWaalsContact CA-O 3.25Å; T5-L9 WeakPolarHBondContact CA-O 3.43Å; T5-L9 PolarHBondContact N-O 3.13Å
6L70.5Confident76.8Confident8 Ų816.1 Ų16.14%0.0429%0.086CC..Hα-helixtrans-60.7-34172.6-158.779.8000112.4A2 Y3 G4 G8 A40 M44 S47A2-L6 WeakPolarHBondContact O-CB 3.4Å; A2-L6 PolarHBondContact O-N 2.88Å; Y3-L6 HydrophobicContact CD1-CD2 4.36Å; G4-L6 VanDerWaalsContact C-N 3.32Å; G4-L6 PolarHBondContact O-N 3.39Å; L6-G8 PolarHBondContact O-N 3.27Å; L6-A40 HydrophobicContact CD2-CB 4.33Å; L6-A40 WeakPolarHBondContact CD2-O 3.49Å; L6-M44 HydrophobicContact CD2-CG 3.88Å; L6-M44 HydrophobicContact CG-CG 4.22Å; L6-S47 VanDerWaalsContact O-CB 3.29Å; L6-S47 WeakPolarHBondContact O-CB 3.31Å
7A76.1Confident77.5Confident0 Ų015.1 Ų15.10%08%0.081CC..THydrogen-bonded Turntrans-76.2-3.6174.500000113.5Y3 G4 T5 S43 V46 S47 I319Y3-A7 WeakPolarHBondContact O-CB 3.35Å; Y3-A7 PolarHBondContact O-N 2.88Å; G4-A7 WeakPolarHBondContact O-CA 3.49Å; G4-A7 WeakPolarHBondContact O-CB 3.49Å; G4-A7 PolarHBondContact O-N 3.08Å; T5-A7 PolarHBondContact O-N 3.4Å; A7-S43 WeakPolarHBondContact CA-O 3.39Å; A7-V46 HydrophobicContact CB-CB 4.37Å; A7-V46 HydrophobicContact CB-CG1 4.06Å; A7-S47 WeakPolarHBondContact O-CA 3.03Å; A7-I319 HydrophobicContact CB-CD1 3.97Å; A7-I319 HydrophobicContact CB-CG2 4.29Å
8G75Confident78Confident8 Ų814.7 Ų14.78%0.0828%0.08CC..THydrogen-bonded Turntrans7628.5-17400000113G4 T5 L6 R50G4-G8 PolarHBondContact O-N 3.4Å; T5-G8 PolarHBondContact O-N 2.91Å; L6-G8 PolarHBondContact O-N 3.27Å; G8-R50 PolarHBondContact O-NE 2.96Å; G8-R50 PolarHBondContact O-NH2 3.39Å
9L82.4Confident78.7Confident11 Ų1114.9 Ų14.96%0.0588%0.08CC..SBendtrans-121165.6174.1-67.9179.1000110.9G4 T5 H13 P86 E87 V90 I319G4-L9 CarbonylContact C-O 3.59Å; G4-L9 PolarHBondContact O-N 2.83Å; G4-L9 VanDerWaalsContact O-O 3.06Å; T5-L9 VanDerWaalsContact CA-O 3.25Å; T5-L9 WeakPolarHBondContact CA-O 3.43Å; T5-L9 PolarHBondContact N-O 3.13Å; L9-H13 HydrophobicContact CB-CB 4.18Å; L9-H13 HydrophobicContact CD1-CB 3.95Å; L9-P86 HydrophobicContact CD2-CB 4.03Å; L9-E87 HydrophobicContact CD2-CG 4.42Å; L9-V90 HydrophobicContact CD1-CB 3.84Å; L9-V90 HydrophobicContact CD1-CG1 3.74Å; L9-V90 HydrophobicContact CD1-CG2 3.86Å; L9-V90 HydrophobicContact CD2-CB 4.44Å; L9-V90 HydrophobicContact CD2-CG2 3.98Å; L9-V90 HydrophobicContact CG-CB 4.47Å; L9-V90 HydrophobicContact CG-CG2 3.98Å; L9-I319 HydrophobicContact CD1-CD1 4.47Å; L9-I319 HydrophobicContact CD1-CG1 4.03Å
10D81.2Confident79.4Confident97 Ų9715.1 Ų15.152%0.5198%0.08SC..  trans-59.3152.5171.6-75-16.7000112.7A12 H13D10-A12 PolarHBondContact O-N 3.44Å; D10-A12 VanDerWaalsContact O-N 3.08Å; D10-H13 PolarHBondContact O-N 2.99Å; D10-H13 VanDerWaalsContact O-N 3.11Å; D10-H13 PolarHBondContact O-ND1 3.04Å
11A75.2Confident79.9Confident3 Ų314.3 Ų14.33%0.0258%0.076CC..Hα-helixtrans-56.2-31.3-175.900000113.7M1 H13 G14 V246 K368M1-A11 WeakPolarHBondContact CA-O 3.19Å; M1-A11 HydrophobicContact CB-CB 4.05Å; M1-A11 HydrophobicContact CG-CB 4.08Å; M1-A11 WeakPolarHBondContact CG-O 3.3Å; A11-H13 VanDerWaalsContact C-N 3.31Å; A11-H13 PolarHBondContact O-N 2.98Å; A11-G14 PolarHBondContact O-N 2.85Å; A11-V246 HydrophobicContact CB-CG1 4.12Å; A11-K368 VanDerWaalsContact CB-NZ 3.35Å
12A82.9Confident81.1Confident2 Ų212.9 Ų12.92%0.0177%0.07CC..Hα-helixtrans-59.2-38.5179.800000112.5D10 G14 L15 Y16 I249 P250D10-A12 PolarHBondContact O-N 3.44Å; D10-A12 VanDerWaalsContact O-N 3.08Å; A12-G14 PolarHBondContact O-N 3.45Å; A12-G14 VanDerWaalsContact O-N 3.15Å; A12-L15 WeakPolarHBondContact O-CA 3.46Å; A12-L15 VanDerWaalsContact O-CB 3.29Å; A12-L15 WeakPolarHBondContact O-CB 3.38Å; A12-L15 PolarHBondContact O-N 3.24Å; A12-Y16 HydrophobicContact CB-CE2 3.96Å; A12-Y16 WeakPolarHBondContact O-CD2 3.43Å; A12-Y16 PolarHBondContact O-N 3.34Å; A12-Y16 VanDerWaalsContact O-N 3.1Å; A12-I249 HydrophobicContact CB-CG2 4.25Å; A12-P250 HydrophobicContact CB-CG 4.33Å
13H86.2Confident82.4Confident21 Ų2115.5 Ų15.510%0.0978%0.084CC..Hα-helixtrans-60.9-30.8179.2-64.894.8000112.5L9 D10 A11 L15 Y16 T17 G317L9-H13 HydrophobicContact CB-CB 4.18Å; L9-H13 HydrophobicContact CD1-CB 3.95Å; D10-H13 PolarHBondContact O-N 2.99Å; D10-H13 VanDerWaalsContact O-N 3.11Å; D10-H13 PolarHBondContact O-ND1 3.04Å; A11-H13 VanDerWaalsContact C-N 3.31Å; A11-H13 PolarHBondContact O-N 2.98Å; H13-L15 VanDerWaalsContact C-N 3.33Å; H13-L15 PolarHBondContact O-N 2.93Å; H13-Y16 PolarHBondContact O-N 2.89Å; H13-T17 WeakPolarHBondContact O-CB 3.23Å; H13-T17 PolarHBondContact O-N 2.98Å; H13-T17 PolarHBondContact O-OG1 3.44Å; H13-G317 PolarHBondContact CD2-O 3.26Å
14G81.5Confident83.4Confident0 Ų016.6 Ų16.60%09%0.09CC..Hα-helixtrans-69.6-26.7172.700000114A11 A12 S18A11-G14 PolarHBondContact O-N 2.85Å; A12-G14 PolarHBondContact O-N 3.45Å; A12-G14 VanDerWaalsContact O-N 3.15Å; G14-S18 PolarHBondContact O-N 2.96Å; G14-S18 PolarHBondContact O-OG 3.36Å
15L83.6Confident84.2Confident17 Ų1716.6 Ų16.69%0.0899%0.09CC..Hα-helixtrans-74-46171.7-83.1165.5000110.9M1 A12 H13 T17 S18 F19 V349 V352 I353M1-L15 HydrophobicContact CE-CD1 3.36Å; M1-L15 HydrophobicContact CE-CD2 3.89Å; M1-L15 HydrophobicContact CE-CG 3.68Å; M1-L15 HydrophobicContact CG-CD1 4.42Å; M1-L15 HydrophobicContact CG-CG 4.18Å; A12-L15 WeakPolarHBondContact O-CA 3.46Å; A12-L15 VanDerWaalsContact O-CB 3.29Å; A12-L15 WeakPolarHBondContact O-CB 3.38Å; A12-L15 PolarHBondContact O-N 3.24Å; H13-L15 VanDerWaalsContact C-N 3.33Å; H13-L15 PolarHBondContact O-N 2.93Å; L15-T17 VanDerWaalsContact C-N 3.31Å; L15-T17 PolarHBondContact O-N 3.25Å; L15-S18 WeakPolarHBondContact O-CA 3.01Å; L15-S18 VanDerWaalsContact O-CB 3.23Å; L15-S18 WeakPolarHBondContact O-CB 3.5Å; L15-S18 PolarHBondContact O-N 3.03Å; L15-F19 PolarHBondContact O-N 2.85Å; L15-V349 HydrophobicContact CD2-CG1 4.15Å; L15-V352 HydrophobicContact CD2-CG1 4.08Å; L15-I353 HydrophobicContact CB-CD1 4.23Å; L15-I353 HydrophobicContact CB-CG1 3.99Å; L15-I353 HydrophobicContact CD1-CG1 4.16Å; L15-I353 HydrophobicContact CD2-CG1 4.37Å; L15-I353 HydrophobicContact CG-CG1 4.42Å
16Y89.6Confident85.1Confident11 Ų1117.9 Ų17.94%0.0439%0.093CC..Hα-helixtrans-59.1-45178.5-52.8-34.3000111.5A12 H13 S18 F19 F20 P254 C318 I353A12-Y16 HydrophobicContact CB-CE2 3.96Å; A12-Y16 WeakPolarHBondContact O-CD2 3.43Å; A12-Y16 PolarHBondContact O-N 3.34Å; A12-Y16 VanDerWaalsContact O-N 3.1Å; H13-Y16 PolarHBondContact O-N 2.89Å; Y16-S18 PolarHBondContact O-N 3.2Å; Y16-S18 VanDerWaalsContact O-N 3.08Å; Y16-F19 PolarHBondContact O-N 3.28Å; Y16-F20 PolarHBondContact O-N 3.12Å; Y16-P254 HydrophobicContact CD1-CG 4.25Å; Y16-P254 HydrophobicContact CD2-CG 3.8Å; Y16-P254 HydrophobicContact CE1-CG 4.28Å; Y16-P254 HydrophobicContact CE2-CB 4.18Å; Y16-P254 HydrophobicContact CE2-CG 3.83Å; Y16-P254 HydrophobicContact CG-CG 4.03Å; Y16-C318 VanDerWaalsContact C-SG 3.52Å; Y16-I353 HydrophobicContact CD1-CD1 4.04Å; Y16-I353 HydrophobicContact CE1-CD1 4.36Å; Y16-I353 HydrophobicContact CE1-CG2 4.19Å
17T89.2Confident86.1Confident0 Ų024.9 Ų24.90%012%0.124CC..Hα-helixtrans-64-15.8175.7-48.20000113H13 L15 P21 V38 C318 I319 T321H13-T17 WeakPolarHBondContact O-CB 3.23Å; H13-T17 PolarHBondContact O-N 2.98Å; H13-T17 PolarHBondContact O-OG1 3.44Å; L15-T17 VanDerWaalsContact C-N 3.31Å; L15-T17 PolarHBondContact O-N 3.25Å; T17-P21 VanDerWaalsContact O-CD 3.26Å; T17-P21 WeakPolarHBondContact O-CD 3.03Å; T17-P21 VanDerWaalsContact O-CG 3.23Å; T17-P21 WeakPolarHBondContact O-CG 3.48Å; T17-V38 HydrophobicContact CG2-CG1 3.44Å; T17-V38 VanDerWaalsContact CG2-CG1 3.44Å; T17-C318 HydrophobicContact CG2-CB 4.39Å; T17-I319 HydrophobicContact CG2-CB 4.16Å; T17-I319 VanDerWaalsContact CG2-O 3.28Å; T17-I319 WeakPolarHBondContact CG2-O 3.39Å; T17-I319 PolarHBondContact OG1-N 3.23Å; T17-T321 HydrophobicContact CG2-CG2 3.32Å
18S87.1Confident86.7Confident8 Ų826.9 Ų26.96%0.05613%0.134CC..Hα-helixtrans-90.9-17.5176.4-62.20000113.5G14 L15 Y16 R327G14-S18 PolarHBondContact O-N 2.96Å; G14-S18 PolarHBondContact O-OG 3.36Å; L15-S18 WeakPolarHBondContact O-CA 3.01Å; L15-S18 VanDerWaalsContact O-CB 3.23Å; L15-S18 WeakPolarHBondContact O-CB 3.5Å; L15-S18 PolarHBondContact O-N 3.03Å; Y16-S18 PolarHBondContact O-N 3.2Å; Y16-S18 VanDerWaalsContact O-N 3.08Å; S18-R327 VanDerWaalsContact CB-NH1 3.34Å; S18-R327 PolarHBondContact OG-NH2 3.21Å
19F90.8Very high87.2Confident18 Ų1827.4 Ų27.48%0.07914%0.139CC..Hα-helixtrans-97.6-63.1-175.4167.2-112.4000111.5L15 Y16 G22 L23 S346 V349 L350 I353L15-F19 PolarHBondContact O-N 2.85Å; Y16-F19 PolarHBondContact O-N 3.28Å; F19-G22 PolarHBondContact O-N 3.39Å; F19-L23 HydrophobicContact CZ-CD2 4.26Å; F19-L23 PolarHBondContact O-N 2.97Å; F19-L23 VanDerWaalsContact O-N 3.1Å; F19-S346 VanDerWaalsContact CD2-O 3.28Å; F19-S346 WeakPolarHBondContact CD2-O 3.35Å; F19-V349 HydrophobicContact CB-CG1 3.92Å; F19-L350 HydrophobicContact CD2-CB 4.21Å; F19-L350 HydrophobicContact CE1-CD1 4.34Å; F19-L350 HydrophobicContact CE2-CB 3.94Å; F19-L350 HydrophobicContact CE2-CD1 4.19Å; F19-L350 HydrophobicContact CE2-CD2 4.41Å; F19-L350 HydrophobicContact CE2-CG 4.41Å; F19-L350 HydrophobicContact CZ-CD1 4Å; F19-L350 HydrophobicContact CZ-CD2 4.47Å; F19-I353 HydrophobicContact CB-CD1 4.42Å
20F91.8Very high87.4Confident18 Ų1829 Ų298%0.07915%0.15CC..Hα-helixtrans-59.1-48.5-172.2-73.2-77.6000114.2Y16 G22 L23 L24 I253 F316Y16-F20 PolarHBondContact O-N 3.12Å; F20-G22 VanDerWaalsContact C-N 3.33Å; F20-G22 PolarHBondContact O-N 3.16Å; F20-L23 PolarHBondContact O-N 3.48Å; F20-L24 WeakPolarHBondContact O-CG 3.38Å; F20-L24 PolarHBondContact O-N 3.47Å; F20-L24 VanDerWaalsContact O-N 3.08Å; F20-I253 HydrophobicContact CE2-CG2 4.11Å; F20-I253 HydrophobicContact CZ-CG2 3.54Å; F20-F316 AromaticContact CD1-CD2 3.85Å; F20-F316 HydrophobicContact CD1-CD2 3.85Å; F20-F316 HydrophobicContact CD1-CE2 4.05Å; F20-F316 HydrophobicContact CD1-CG 4.29Å; F20-F316 HydrophobicContact CD2-CB 3.87Å; F20-F316 HydrophobicContact CD2-CD2 4.31Å; F20-F316 HydrophobicContact CD2-CG 4.15Å; F20-F316 HydrophobicContact CE1-CB 4.44Å; F20-F316 AromaticContact CE1-CD1 3.89Å; F20-F316 HydrophobicContact CE1-CD1 3.89Å; F20-F316 AromaticContact CE1-CD2 3.55Å; F20-F316 HydrophobicContact CE1-CD2 3.55Å; F20-F316 AromaticContact CE1-CE1 3.94Å; F20-F316 HydrophobicContact CE1-CE1 3.94Å; F20-F316 AromaticContact CE1-CE2 3.61Å; F20-F316 HydrophobicContact CE1-CE2 3.61Å; F20-F316 AromaticContact CE1-CG 3.7Å; F20-F316 HydrophobicContact CE1-CG 3.7Å; F20-F316 AromaticContact CE1-CZ 3.8Å; F20-F316 HydrophobicContact CE1-CZ 3.8Å; F20-F316 HydrophobicContact CE2-CB 3.39Å; F20-F316 AromaticContact CE2-CD1 3.95Å; F20-F316 HydrophobicContact CE2-CD1 3.95Å; F20-F316 HydrophobicContact CE2-CD2 4.06Å; F20-F316 AromaticContact CE2-CG 3.54Å; F20-F316 HydrophobicContact CE2-CG 3.54Å; F20-F316 HydrophobicContact CG-CD2 4.21Å; F20-F316 HydrophobicContact CG-CG 4.49Å; F20-F316 HydrophobicContact CZ-CB 3.71Å; F20-F316 AromaticContact CZ-CD1 3.33Å; F20-F316 HydrophobicContact CZ-CD1 3.33Å; F20-F316 AromaticContact CZ-CD2 3.66Å; F20-F316 HydrophobicContact CZ-CD2 3.66Å; F20-F316 AromaticContact CZ-CE1 3.76Å; F20-F316 HydrophobicContact CZ-CE1 3.76Å; F20-F316 HydrophobicContact CZ-CE2 4.07Å; F20-F316 AromaticContact CZ-CG 3.26Å; F20-F316 HydrophobicContact CZ-CG 3.26Å; F20-F316 HydrophobicContact CZ-CZ 4.11Å
21P90.6Very high87.8Confident0 Ų024.4 Ų24.40%013%0.125CC..Hα-helixtrans-67.9-34.6-179-15.128.6000112.3T17 L24 Y25 L36 C309 T321T17-P21 VanDerWaalsContact O-CD 3.26Å; T17-P21 WeakPolarHBondContact O-CD 3.03Å; T17-P21 VanDerWaalsContact O-CG 3.23Å; T17-P21 WeakPolarHBondContact O-CG 3.48Å; P21-L24 PolarHBondContact O-N 2.86Å; P21-Y25 WeakPolarHBondContact O-CB 3.33Å; P21-Y25 PolarHBondContact O-N 3Å; P21-L36 HydrophobicContact CB-CB 4.24Å; P21-C309 HydrophobicContact CB-CB 4.32Å; P21-T321 HydrophobicContact CB-CG2 4.23Å; P21-T321 HydrophobicContact CG-CG2 3.57Å
22G88.8Confident88.4Confident4 Ų430.9 Ų30.94%0.04115%0.149CC..Hα-helixtrans-62.6-44.617700000111.6F19 F20 F26F19-G22 PolarHBondContact O-N 3.39Å; F20-G22 VanDerWaalsContact C-N 3.33Å; F20-G22 PolarHBondContact O-N 3.16Å; G22-F26 PolarHBondContact O-N 3.07Å
23L91.5Very high88.6Confident56 Ų5631 Ų3129%0.29315%0.149SC..Hα-helixtrans-64.6-42.9177.1-178.467.6000112.4F19 F20 F26 L343 S346F19-L23 HydrophobicContact CZ-CD2 4.26Å; F19-L23 PolarHBondContact O-N 2.97Å; F19-L23 VanDerWaalsContact O-N 3.1Å; F20-L23 PolarHBondContact O-N 3.48Å; L23-F26 WeakPolarHBondContact O-CB 3.4Å; L23-L343 HydrophobicContact CD1-CD1 3.53Å; L23-S346 PolarHBondContact N-OG 3.41Å
24L91.4Very high88.5Confident38 Ų3830 Ų3020%0.19915%0.145CC..Hα-helixtrans-71.6-37.4-179-70.7166.6000112.1F20 P21 F26 F27 L28 C309 V312F20-L24 WeakPolarHBondContact O-CG 3.38Å; F20-L24 PolarHBondContact O-N 3.47Å; F20-L24 VanDerWaalsContact O-N 3.08Å; P21-L24 PolarHBondContact O-N 2.86Å; L24-F26 VanDerWaalsContact C-N 3.27Å; L24-F26 PolarHBondContact O-N 3.03Å; L24-F27 PolarHBondContact O-N 3Å; L24-L28 PolarHBondContact O-N 3.25Å; L24-C309 VanDerWaalsContact CB-SG 3.57Å; L24-V312 HydrophobicContact CD1-CB 3.62Å; L24-V312 HydrophobicContact CD1-CG1 3.75Å; L24-V312 HydrophobicContact CD1-CG2 4.35Å; L24-V312 HydrophobicContact CD2-CG1 4.46Å
25Y91.4Very high88.7Confident1 Ų130.7 Ų30.70%0.00415%0.149CC..Hα-helixtrans-68.5-27.1-179-167.7-112.7000113.1P21 F27 L28 G29 N34 L36 E302 A305P21-Y25 WeakPolarHBondContact O-CB 3.33Å; P21-Y25 PolarHBondContact O-N 3Å; Y25-F27 PolarHBondContact O-N 3.48Å; Y25-L28 PolarHBondContact O-N 2.76Å; Y25-G29 PolarHBondContact O-N 3.46Å; Y25-N34 HydrophobicContact CE1-CB 3.73Å; Y25-N34 WeakPolarHBondContact CE1-O 3.5Å; Y25-N34 WeakPolarHBondContact OH-CB 3.36Å; Y25-N34 PolarHBondContact OH-ND2 2.73Å; Y25-L36 HydrophobicContact CD1-CD1 3.72Å; Y25-L36 HydrophobicContact CD2-CD1 2.98Å; Y25-L36 HydrophobicContact CD2-CG 4.45Å; Y25-L36 HydrophobicContact CE1-CD1 3.98Å; Y25-L36 HydrophobicContact CE2-CD1 3.31Å; Y25-L36 HydrophobicContact CG-CD1 3.17Å; Y25-L36 HydrophobicContact CG-CG 4.44Å; Y25-E302 WeakPolarHBondContact CE2-OE2 2.94Å; Y25-E302 PolarHBondContact OH-OE1 2.95Å; Y25-E302 PolarHBondContact OH-OE2 3.46Å; Y25-A305 HydrophobicContact CD2-CB 4Å; Y25-A305 HydrophobicContact CE2-CB 4.02Å
26F91.2Very high88.9Confident54 Ų5429.9 Ų29.924%0.23715%0.145CC..Hα-helixtrans-51.8-39.1171.3166.9-104.9000112.7G22 L23 L24 Q339 F340 L343G22-F26 PolarHBondContact O-N 3.07Å; L23-F26 WeakPolarHBondContact O-CB 3.4Å; L24-F26 VanDerWaalsContact C-N 3.27Å; L24-F26 PolarHBondContact O-N 3.03Å; F26-Q339 HydrophobicContact CD2-CB 4.19Å; F26-F340 AromaticContact CE2-CD2 3.81Å; F26-F340 HydrophobicContact CE2-CD2 3.81Å; F26-F340 HydrophobicContact CZ-CD2 4.14Å; F26-F340 HydrophobicContact CZ-CE2 4.45Å; F26-L343 HydrophobicContact CD2-CB 4.15Å; F26-L343 HydrophobicContact CE1-CD2 4.41Å; F26-L343 HydrophobicContact CG-CB 4.25Å; F26-L343 HydrophobicContact CZ-CD2 4.34Å
27F90.1Very high88.7Confident155 Ų15529.4 Ų29.468%0.6814%0.143SC*.Hα-helixtrans-86-24.2-178.5-67-74.8000114L24 Y25L24-F27 PolarHBondContact O-N 3Å; Y25-F27 PolarHBondContact O-N 3.48Å
28L88.4Confident88.2Confident43 Ų4329.8 Ų29.823%0.22515%0.146CC..Hα-helixtrans-115.1-27.5-164.9-62.5171.4000114.2L24 Y25 Q301 A305 V308L24-L28 PolarHBondContact O-N 3.25Å; Y25-L28 PolarHBondContact O-N 2.76Å; L28-Q301 PolarHBondContact O-NE2 2.97Å; L28-Q301 VanDerWaalsContact O-NE2 3.14Å; L28-A305 HydrophobicContact CB-CB 3.66Å; L28-V308 HydrophobicContact CD1-CB 3.87Å; L28-V308 HydrophobicContact CD1-CG1 3.66Å
29G86.3Confident87.7Confident18 Ų1830.8 Ų30.819%0.18615%0.149CC..  trans-76.2142.6-173.300000113.1Y25Y25-G29 PolarHBondContact O-N 3.46Å
30T87.5Confident86.4Confident45 Ų4530.1 Ų30.128%0.27615%0.147SC..  trans-95.6-31.4177.160.30000112.6R32 D298 Q301 E302T30-R32 PolarHBondContact O-N 3.16Å; T30-D298 HydrophobicContact CG2-CB 4.22Å; T30-Q301 HydrophobicContact CG2-CB 3.74Å; T30-Q301 HydrophobicContact CG2-CG 3.46Å; T30-Q301 VanDerWaalsContact CG2-CG 3.46Å; T30-E302 WeakPolarHBondContact CA-OE1 3.28Å; T30-E302 PolarHBondContact N-OE1 2.78Å; T30-E302 WeakPolarHBondContact OG1-CG 3.46Å; T30-E302 PolarHBondContact OG1-OE1 3.47Å
31S88.5Confident85.2Confident0 Ų030.2 Ų30.20%015%0.149CC..  trans-64.9128.3174.5172.90000110.7H33 N34 Y295 E302 Q339S31-H33 VanDerWaalsContact C-N 3.3Å; S31-H33 PolarHBondContact O-N 2.98Å; S31-H33 PolarHBondContact OG-N 3.31Å; S31-N34 WeakPolarHBondContact OG-CB 3.46Å; S31-N34 PolarHBondContact OG-N 2.79Å; S31-N34 VanDerWaalsContact OG-N 3.11Å; S31-Y295 PolarHBondContact OG-OH 3.09Å; S31-E302 PolarHBondContact N-OE1 3.32Å; S31-Q339 WeakPolarHBondContact O-CG 3.19Å; S31-Q339 PolarHBondContact O-NE2 3.42Å
32R87.4Confident84.6Confident140 Ų14030.2 Ų30.253%0.52815%0.149SC..SBendtrans-77.7-16.8179.5-63.1-176.6-174.8177.32114T30 R337 S338T30-R32 PolarHBondContact O-N 3.16Å; R32-R337 WeakPolarHBondContact CD-O 3.41Å; R32-S338 CarbonylContact O-C 3.5Å
33H86.7Confident83.9Confident5 Ų530 Ų302%0.02315%0.147CC..SBendtrans-117.5-16.2-170-56.285.9000112.8S31 S35 F289 F293 Y295 T328 L331 V332 G336S31-H33 VanDerWaalsContact C-N 3.3Å; S31-H33 PolarHBondContact O-N 2.98Å; S31-H33 PolarHBondContact OG-N 3.31Å; H33-S35 PolarHBondContact O-N 3.11Å; H33-F289 HydrophobicContact CB-CB 4.23Å; H33-F289 HydrophobicContact CB-CD2 4.42Å; H33-F289 HydrophobicContact CB-CG 4.31Å; H33-F293 AromaticContact CD2-CE2 3.9Å; H33-F293 AromaticContact CE1-CD2 3.5Å; H33-F293 VanDerWaalsContact CE1-CD2 3.5Å; H33-F293 WeakPolarHBondContact CE1-CD2 3.23Å; H33-F293 AromaticContact CE1-CG 3.8Å; H33-F293 AromaticContact ND1-CD2 4Å; H33-F293 AromaticContact NE2-CD2 3.58Å; H33-F293 AromaticContact NE2-CE2 3.64Å; H33-F293 AromaticContact NE2-CG 3.95Å; H33-Y295 AromaticContact CE1-CE1 3.61Å; H33-Y295 AromaticContact ND1-CE1 3.44Å; H33-Y295 WeakPolarHBondContact ND1-CE1 3.31Å; H33-Y295 AromaticContact ND1-CZ 3.64Å; H33-Y295 PolarHBondContact ND1-OH 3.04Å; H33-T328 WeakPolarHBondContact O-CG2 3.32Å; H33-L331 WeakPolarHBondContact O-CD2 3.33Å; H33-V332 HydrophobicContact CB-CG2 3.82Å; H33-G336 PolarHBondContact CD2-O 3.4Å; H33-G336 PolarHBondContact NE2-O 2.88Å
34N85.7Confident82.9Confident0 Ų028.6 Ų28.60%014%0.139CC..  trans-65.8130.3178-113.1-2.5000110.9Y25 S31 S282 A323 Q339Y25-N34 HydrophobicContact CE1-CB 3.73Å; Y25-N34 WeakPolarHBondContact CE1-O 3.5Å; Y25-N34 WeakPolarHBondContact OH-CB 3.36Å; Y25-N34 PolarHBondContact OH-ND2 2.73Å; S31-N34 WeakPolarHBondContact OG-CB 3.46Å; S31-N34 PolarHBondContact OG-N 2.79Å; S31-N34 VanDerWaalsContact OG-N 3.11Å; N34-S282 PolarHBondContact ND2-O 2.98Å; N34-A323 VanDerWaalsContact OD1-CB 3.23Å; N34-A323 WeakPolarHBondContact OD1-CB 2.67Å; N34-Q339 PolarHBondContact O-NE2 2.68Å
35S86Confident82.1Confident13 Ų1328.1 Ų28.19%0.09114%0.136CC..  trans-112.4115.9167.7-177.40000109.2H33 A324 T328H33-S35 PolarHBondContact O-N 3.11Å; S35-A324 PolarHBondContact O-N 3.39Å; S35-T328 PolarHBondContact N-OG1 2.8Å; S35-T328 VanDerWaalsContact N-OG1 3.08Å
36L87.8Confident81.7Confident1 Ų128 Ų281%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-77.7144.2179.5-104.1134.9000112.3P21 Y25 L306 T321P21-L36 HydrophobicContact CB-CB 4.24Å; Y25-L36 HydrophobicContact CD1-CD1 3.72Å; Y25-L36 HydrophobicContact CD2-CD1 2.98Å; Y25-L36 HydrophobicContact CD2-CG 4.45Å; Y25-L36 HydrophobicContact CE1-CD1 3.98Å; Y25-L36 HydrophobicContact CE2-CD1 3.31Å; Y25-L36 HydrophobicContact CG-CD1 3.17Å; Y25-L36 HydrophobicContact CG-CG 4.44Å; L36-L306 HydrophobicContact CD1-CD1 4.1Å; L36-L306 HydrophobicContact CD2-CD1 3.96Å; L36-L306 HydrophobicContact CD2-CG 4.37Å; L36-L306 HydrophobicContact CG-CD1 4.43Å; L36-T321 WeakPolarHBondContact CD2-OG1 3.35Å
37G84.7Confident81Confident0 Ų025.8 Ų25.80%013%0.127CC..EExtended strand (participates in β ladder)trans177.2-151.9176.900000112.9C322G37-C322 PolarHBondContact N-O 3.43Å; G37-C322 PolarHBondContact O-N 3.28Å
38V79.5Confident80.3Confident9 Ų920.7 Ų20.76%0.05511%0.11CC..  trans-83.2141.3-178.5-78.30000112.3Y3 T17 I319Y3-V38 HydrophobicContact CD2-CB 3.68Å; Y3-V38 HydrophobicContact CD2-CG2 3.54Å; Y3-V38 HydrophobicContact CE2-CG2 4.47Å; Y3-V38 HydrophobicContact CG-CB 4.28Å; Y3-V38 HydrophobicContact CG-CG2 4.28Å; T17-V38 HydrophobicContact CG2-CG1 3.44Å; T17-V38 VanDerWaalsContact CG2-CG1 3.44Å; V38-I319 HydrophobicContact CG1-CD1 4.47Å
39F74.8Confident79.9Confident28 Ų2818.8 Ų18.812%0.12310%0.101CC..  trans-132.1137.4178.3-169.4-108.7000111.4V41 I42 S43 V281 C322F39-V41 HydrophobicContact CD1-CB 3.89Å; F39-V41 HydrophobicContact CD1-CG2 4.05Å; F39-V41 HydrophobicContact CE1-CB 3.79Å; F39-V41 HydrophobicContact CE1-CG2 3.5Å; F39-V41 HydrophobicContact CZ-CG2 4.34Å; F39-V41 PolarHBondContact O-N 3.17Å; F39-I42 HydrophobicContact CB-CG1 4.25Å; F39-I42 HydrophobicContact CD1-CG1 4.2Å; F39-I42 PolarHBondContact O-N 2.9Å; F39-S43 PolarHBondContact O-N 3.19Å; F39-S43 PolarHBondContact O-OG 3.09Å; F39-V281 HydrophobicContact CE1-CG1 4.45Å; F39-V281 HydrophobicContact CE1-CG2 4.32Å; F39-V281 HydrophobicContact CE2-CG1 4.45Å; F39-V281 HydrophobicContact CZ-CG1 4.32Å; F39-C322 WeakPolarHBondContact CB-SG 3.41Å
40A65.4Low79.7Confident5 Ų519.3 Ų19.34%0.04110%0.097CC..Hα-helixtrans-62.1-40.4-16700000113.8Y3 L6 S43 M44 V136Y3-A40 HydrophobicContact CD1-CB 4.33Å; Y3-A40 HydrophobicContact CE1-CB 3.76Å; L6-A40 HydrophobicContact CD2-CB 4.33Å; L6-A40 WeakPolarHBondContact CD2-O 3.49Å; A40-S43 PolarHBondContact O-N 2.86Å; A40-M44 PolarHBondContact O-N 3.33Å; A40-V136 HydrophobicContact CB-CB 4.39Å; A40-V136 HydrophobicContact CB-CG1 3.95Å; A40-V136 HydrophobicContact CB-CG2 3.48Å; A40-V136 VanDerWaalsContact CB-CG2 3.48Å
41V66.5Low79.2Confident19 Ų1919 Ų1912%0.1159%0.092CC..Hα-helixtrans-63.5-45178-175.80000111.2F39 S43 M44 M45 F128 A132F39-V41 HydrophobicContact CD1-CB 3.89Å; F39-V41 HydrophobicContact CD1-CG2 4.05Å; F39-V41 HydrophobicContact CE1-CB 3.79Å; F39-V41 HydrophobicContact CE1-CG2 3.5Å; F39-V41 HydrophobicContact CZ-CG2 4.34Å; F39-V41 PolarHBondContact O-N 3.17Å; V41-S43 VanDerWaalsContact C-N 3.33Å; V41-S43 PolarHBondContact O-N 2.98Å; V41-M44 PolarHBondContact O-N 3.4Å; V41-M45 HydrophobicContact CG1-SD 4.22Å; V41-M45 WeakPolarHBondContact O-CG 3.4Å; V41-M45 PolarHBondContact O-N 3.22Å; V41-F128 HydrophobicContact CG1-CZ 4.12Å; V41-A132 HydrophobicContact CB-CB 4.47Å; V41-A132 HydrophobicContact CG2-CB 3.16Å
42I76.3Confident78.6Confident0 Ų024 Ų240%011%0.111CC..Hα-helixtrans-62.6-44.1178.9-59.8-61.5000109.6F39 M44 M45 V46 I274 V277 C278 P320F39-I42 HydrophobicContact CB-CG1 4.25Å; F39-I42 HydrophobicContact CD1-CG1 4.2Å; F39-I42 PolarHBondContact O-N 2.9Å; I42-M44 VanDerWaalsContact C-N 3.34Å; I42-M44 PolarHBondContact O-N 2.85Å; I42-M45 HydrophobicContact CD1-SD 4.38Å; I42-M45 PolarHBondContact O-N 2.7Å; I42-M45 VanDerWaalsContact O-N 3.17Å; I42-V46 HydrophobicContact CG2-CG2 4.23Å; I42-V46 WeakPolarHBondContact O-CB 3.49Å; I42-V46 WeakPolarHBondContact O-CG2 3.5Å; I42-V46 PolarHBondContact O-N 3.03Å; I42-I274 HydrophobicContact CD1-CG2 4.31Å; I42-I274 HydrophobicContact CG2-CG2 4.15Å; I42-V277 HydrophobicContact CD1-CB 4.16Å; I42-V277 HydrophobicContact CD1-CG1 3.78Å; I42-C278 HydrophobicContact CD1-CB 4.5Å; I42-C278 WeakPolarHBondContact CD1-SG 3.38Å; I42-P320 HydrophobicContact CG2-CB 3.88Å; I42-P320 WeakPolarHBondContact CG2-O 3.37Å
43S75.4Confident78.2Confident1 Ų120.3 Ų20.31%0.00710%0.099CC..Hα-helixtrans-59.2-40.8174.9-71.30000113Y3 A7 F39 A40 V41 V46 S47Y3-S43 WeakPolarHBondContact O-CB 3.39Å; Y3-S43 PolarHBondContact O-OG 3.3Å; A7-S43 WeakPolarHBondContact CA-O 3.39Å; F39-S43 PolarHBondContact O-N 3.19Å; F39-S43 PolarHBondContact O-OG 3.09Å; A40-S43 PolarHBondContact O-N 2.86Å; V41-S43 VanDerWaalsContact C-N 3.33Å; V41-S43 PolarHBondContact O-N 2.98Å; S43-V46 PolarHBondContact O-N 3.37Å; S43-S47 WeakPolarHBondContact O-CB 3.33Å; S43-S47 PolarHBondContact O-N 3.05Å
44M69.4Low77.8Confident26 Ų2621.4 Ų21.413%0.12811%0.106CC..Hα-helixtrans-66.8-38174.5-79.4-17665.600113.1L6 A40 V41 I42 S47 S48 H135 V136 A139L6-M44 HydrophobicContact CD2-CG 3.88Å; L6-M44 HydrophobicContact CG-CG 4.22Å; A40-M44 PolarHBondContact O-N 3.33Å; V41-M44 PolarHBondContact O-N 3.4Å; I42-M44 VanDerWaalsContact C-N 3.34Å; I42-M44 PolarHBondContact O-N 2.85Å; M44-S47 PolarHBondContact O-N 2.9Å; M44-S48 PolarHBondContact O-N 3.4Å; M44-S48 VanDerWaalsContact O-N 3.1Å; M44-S48 PolarHBondContact O-OG 3.41Å; M44-H135 HydrophobicContact CE-CB 4.33Å; M44-H135 HydrophobicContact SD-CB 4.47Å; M44-V136 HydrophobicContact SD-CG2 4.27Å; M44-A139 HydrophobicContact CE-CB 4.09Å; M44-A139 HydrophobicContact SD-CB 3.96Å
45M76.2Confident77Confident27 Ų2725.7 Ų25.713%0.13313%0.133CC..Hα-helixtrans-63.3-46.3174.8-68.5174.481.100110.5V41 I42 S47 S48 V49 T273 I274 V277 V433V41-M45 HydrophobicContact CG1-SD 4.22Å; V41-M45 WeakPolarHBondContact O-CG 3.4Å; V41-M45 PolarHBondContact O-N 3.22Å; I42-M45 HydrophobicContact CD1-SD 4.38Å; I42-M45 PolarHBondContact O-N 2.7Å; I42-M45 VanDerWaalsContact O-N 3.17Å; M45-S47 PolarHBondContact O-N 3.5Å; M45-S48 WeakPolarHBondContact O-CB 3.42Å; M45-S48 PolarHBondContact O-N 2.92Å; M45-V49 PolarHBondContact O-N 2.87Å; M45-T273 HydrophobicContact CE-CG2 3.83Å; M45-I274 HydrophobicContact CB-CD1 4.01Å; M45-I274 HydrophobicContact CB-CG1 3.95Å; M45-I274 HydrophobicContact CE-CG1 3.69Å; M45-I274 HydrophobicContact SD-CG1 4.21Å; M45-V277 HydrophobicContact CE-CG2 4.17Å; M45-V277 HydrophobicContact SD-CG1 4.42Å; M45-V277 HydrophobicContact SD-CG2 4.39Å; M45-V433 HydrophobicContact CE-CG1 3.95Å
46V81.8Confident75.7Confident0 Ų031 Ų310%016%0.156CC..Hα-helixtrans-60.2-44.9176.3172.50000111.2A7 I42 S43 S48 V49 R50 V90 L93 I274 I319 P320A7-V46 HydrophobicContact CB-CB 4.37Å; A7-V46 HydrophobicContact CB-CG1 4.06Å; I42-V46 HydrophobicContact CG2-CG2 4.23Å; I42-V46 WeakPolarHBondContact O-CB 3.49Å; I42-V46 WeakPolarHBondContact O-CG2 3.5Å; I42-V46 PolarHBondContact O-N 3.03Å; S43-V46 PolarHBondContact O-N 3.37Å; V46-S48 VanDerWaalsContact C-N 3.28Å; V46-S48 PolarHBondContact O-N 2.77Å; V46-V49 WeakPolarHBondContact O-CB 3.44Å; V46-V49 PolarHBondContact O-N 3.32Å; V46-V49 VanDerWaalsContact O-N 3.14Å; V46-R50 PolarHBondContact O-N 3.48Å; V46-V90 HydrophobicContact CG1-CB 4.34Å; V46-V90 HydrophobicContact CG1-CG1 3.76Å; V46-V90 HydrophobicContact CG1-CG2 3.7Å; V46-L93 HydrophobicContact CB-CD2 4.18Å; V46-L93 HydrophobicContact CG1-CD2 4.06Å; V46-L93 HydrophobicContact CG2-CD2 3.9Å; V46-I274 HydrophobicContact CG2-CD1 4.22Å; V46-I319 HydrophobicContact CB-CG2 4.39Å; V46-I319 HydrophobicContact CG1-CG2 4.23Å; V46-I319 HydrophobicContact CG2-CG2 3.94Å; V46-P320 HydrophobicContact CG2-CG 3.84Å
47S76.6Confident73.6Confident7 Ų740 Ų405%0.04920%0.199CC..Hα-helixtrans-55.9-44.7176.2168.50000111.8L6 A7 S43 M44 M45 V49 R50 F51 R151L6-S47 VanDerWaalsContact O-CB 3.29Å; L6-S47 WeakPolarHBondContact O-CB 3.31Å; A7-S47 WeakPolarHBondContact O-CA 3.03Å; S43-S47 WeakPolarHBondContact O-CB 3.33Å; S43-S47 PolarHBondContact O-N 3.05Å; M44-S47 PolarHBondContact O-N 2.9Å; M45-S47 PolarHBondContact O-N 3.5Å; S47-V49 VanDerWaalsContact C-N 3.27Å; S47-V49 PolarHBondContact O-N 3.41Å; S47-R50 PolarHBondContact O-N 2.98Å; S47-F51 WeakPolarHBondContact O-CD2 3.3Å; S47-F51 PolarHBondContact O-N 2.8Å; S47-F51 VanDerWaalsContact OG-CD2 3.27Å; S47-F51 WeakPolarHBondContact OG-CD2 3.4Å; S47-F51 VanDerWaalsContact OG-CE2 3.27Å; S47-F51 WeakPolarHBondContact OG-CE2 3Å; S47-R151 PolarHBondContact OG-NH1 2.7Å
48S74.5Confident71.4Confident47 Ų4746.1 Ų46.133%0.32923%0.23SC..Hα-helixtrans-62.6-35.9-179.2-53.30000111.9M44 M45 V46M44-S48 PolarHBondContact O-N 3.4Å; M44-S48 VanDerWaalsContact O-N 3.1Å; M44-S48 PolarHBondContact O-OG 3.41Å; M45-S48 WeakPolarHBondContact O-CB 3.42Å; M45-S48 PolarHBondContact O-N 2.92Å; V46-S48 VanDerWaalsContact C-N 3.28Å; V46-S48 PolarHBondContact O-N 2.77Å
49V80.4Confident68.9Low4 Ų453.1 Ų53.12%0.02427%0.267CS..Hα-helixtrans-68.5-50173-179.50000110.5M45 V46 S47 F51 R52 F53 V89 L93 I267 D270M45-V49 PolarHBondContact O-N 2.87Å; V46-V49 WeakPolarHBondContact O-CB 3.44Å; V46-V49 PolarHBondContact O-N 3.32Å; V46-V49 VanDerWaalsContact O-N 3.14Å; S47-V49 VanDerWaalsContact C-N 3.27Å; S47-V49 PolarHBondContact O-N 3.41Å; V49-F51 PolarHBondContact O-N 3.04Å; V49-R52 WeakPolarHBondContact O-CB 3.19Å; V49-R52 PolarHBondContact O-N 2.77Å; V49-R52 VanDerWaalsContact O-N 3.11Å; V49-F53 HydrophobicContact CG1-CD2 4.21Å; V49-F53 HydrophobicContact CG1-CE2 3.97Å; V49-F53 VanDerWaalsContact O-CD2 3.29Å; V49-F53 WeakPolarHBondContact O-CD2 3.43Å; V49-V89 HydrophobicContact CG1-CG1 4.37Å; V49-L93 HydrophobicContact CB-CD2 4.06Å; V49-L93 HydrophobicContact CG1-CD1 4.5Å; V49-L93 HydrophobicContact CG1-CD2 4.16Å; V49-L93 HydrophobicContact CG2-CD2 4.1Å; V49-I267 HydrophobicContact CG1-CG1 4.4Å; V49-I267 HydrophobicContact CG1-CG2 3.89Å; V49-D270 HydrophobicContact CG2-CB 3.6Å
50R83.6Confident66.6Low29 Ų2961 Ų6111%0.10930%0.298CS..Hα-helixtrans-55.3-48.9-178.9-178.9-79-139.6-160.85.8111.8G8 V46 S47 R52 F53 V54 P86 V90G8-R50 PolarHBondContact O-NE 2.96Å; G8-R50 PolarHBondContact O-NH2 3.39Å; V46-R50 PolarHBondContact O-N 3.48Å; S47-R50 PolarHBondContact O-N 2.98Å; R50-R52 PolarHBondContact O-N 2.86Å; R50-F53 PolarHBondContact O-N 3.39Å; R50-V54 PolarHBondContact NH1-O 3.25Å; R50-V54 PolarHBondContact O-N 3.08Å; R50-P86 HydrophobicContact CG-CB 4.37Å; R50-V90 HydrophobicContact CB-CG2 4.35Å; R50-V90 HydrophobicContact CG-CG2 4.39Å
51F75.4Confident64.6Low38 Ų3864 Ų6417%0.16733%0.329CS..Hα-helixtrans-66.1-22.6-179.3-80.5-67.7000114.2S47 V49 E56 R151S47-F51 WeakPolarHBondContact O-CD2 3.3Å; S47-F51 PolarHBondContact O-N 2.8Å; S47-F51 VanDerWaalsContact OG-CD2 3.27Å; S47-F51 WeakPolarHBondContact OG-CD2 3.4Å; S47-F51 VanDerWaalsContact OG-CE2 3.27Å; S47-F51 WeakPolarHBondContact OG-CE2 3Å; V49-F51 PolarHBondContact O-N 3.04Å; F51-E56 HydrophobicContact CE1-CB 4.32Å; F51-E56 HydrophobicContact CE1-CG 3.85Å; F51-R151 VanDerWaalsContact CE2-CZ 3.45Å
52R75.8Confident62.8Low106 Ų10669.9 Ų69.940%0.436%0.359SS..Hα-helixtrans-71.4-32.4175.4174.5175.442.1167.7-8.7112.5V49 R50 D270V49-R52 WeakPolarHBondContact O-CB 3.19Å; V49-R52 PolarHBondContact O-N 2.77Å; V49-R52 VanDerWaalsContact O-N 3.11Å; R50-R52 PolarHBondContact O-N 2.86Å; R52-D270 IonicContact CZ-OD1 3.51Å; R52-D270 IonicContact CZ-OD2 2.71Å; R52-D270 VanDerWaalsContact CZ-OD2 3.26Å; R52-D270 IonicContact NH1-OD1 3.22Å; R52-D270 IonicContact NH1-OD2 3.18Å; R52-D270 PolarHBondContact NH1-OD2 3.15Å; R52-D270 IonicContact NH2-OD1 2.81Å; R52-D270 PolarHBondContact NH2-OD1 2.73Å; R52-D270 IonicContact NH2-OD2 3.48Å; R52-D270 PolarHBondContact NH2-OD2 2.97Å
53F79Confident60.3Low62 Ų6278.9 Ų78.927%0.27240%0.401SS..Hα-helixtrans-96.4-33.2179.5-66.5-81.2000112.7V49 R50 V89 L263 P266 I267V49-F53 HydrophobicContact CG1-CD2 4.21Å; V49-F53 HydrophobicContact CG1-CE2 3.97Å; V49-F53 VanDerWaalsContact O-CD2 3.29Å; V49-F53 WeakPolarHBondContact O-CD2 3.43Å; R50-F53 PolarHBondContact O-N 3.39Å; F53-V89 HydrophobicContact CB-CG1 4.42Å; F53-V89 HydrophobicContact CB-CG2 4.03Å; F53-V89 HydrophobicContact CD2-CG1 4Å; F53-V89 HydrophobicContact CG-CG1 4.49Å; F53-L263 HydrophobicContact CD1-CD2 3.77Å; F53-L263 HydrophobicContact CE1-CD2 4.01Å; F53-L263 HydrophobicContact CG-CD2 4.32Å; F53-P266 HydrophobicContact CE1-CB 3.99Å; F53-P266 HydrophobicContact CE1-CG 4.08Å; F53-P266 HydrophobicContact CZ-CB 3.9Å; F53-P266 HydrophobicContact CZ-CG 4.24Å; F53-I267 HydrophobicContact CD2-CG1 4.38Å; F53-I267 HydrophobicContact CE2-CD1 4.18Å; F53-I267 HydrophobicContact CE2-CG1 3.55Å; F53-I267 HydrophobicContact CZ-CD1 4.47Å; F53-I267 HydrophobicContact CZ-CG1 3.64Å
54V78.3Confident58Low28 Ų2885.6 Ų85.617%0.1743%0.434CS..SBendtrans-12985.8179.5-171.10000108.6R50 V84 P86 V89R50-V54 PolarHBondContact NH1-O 3.25Å; R50-V54 PolarHBondContact O-N 3.08Å; V54-V84 WeakPolarHBondContact CG2-O 3.14Å; V54-P86 HydrophobicContact CG1-CG 4.29Å; V54-V89 HydrophobicContact CG2-CG2 4.05Å
55P68.7Low55.9Low90 Ų9091.7 Ų91.758%0.58447%0.468SS*.  trans-59.4146.9169-15.228.6000109.8E57P55-E57 PolarHBondContact O-N 3.23Å
56E59.4Low53.6Low123 Ų123100.1 Ų100.158%0.57550%0.499SS*.  trans-62.9125.6170-101.8160.5-168.300109.1F51 I58F51-E56 HydrophobicContact CE1-CB 4.32Å; F51-E56 HydrophobicContact CE1-CG 3.85Å; E56-I58 PolarHBondContact O-N 2.7Å; E56-I58 VanDerWaalsContact O-N 3.08Å
57E44.7Very low51.1Low190 Ų190105.6 Ų105.689%0.88853%0.533SS*.  trans-60.1113.9171.4-80.1-177.3168.200108.1P55 D59P55-E57 PolarHBondContact O-N 3.23Å; E57-D59 PolarHBondContact O-N 2.7Å
58I38.3Very low48.9Very low129 Ų129112.5 Ų112.566%0.66257%0.569SS**  trans-67.4117.1161.6-60.9171.8000104.9E56 Y60E56-I58 PolarHBondContact O-N 2.7Å; E56-I58 VanDerWaalsContact O-N 3.08Å; I58-Y60 HydrophobicContact CB-CD2 4.19Å; I58-Y60 HydrophobicContact CB-CE2 4.09Å; I58-Y60 HydrophobicContact CG2-CD2 3.83Å; I58-Y60 HydrophobicContact CG2-CE2 3.57Å; I58-Y60 PolarHBondContact O-N 2.77Å
59D26.1Very low46.8Very low156 Ų156116.8 Ų116.883%0.83459%0.593SS**  trans-57.984.3175.2-156.17.3000109.5E57E57-D59 PolarHBondContact O-N 2.7Å
60Y26Very low44.4Very low194 Ų194123.2 Ų123.276%0.76163%0.633SS**  trans-91.393.9161.8-79.3-77.1000106.2I58 L62I58-Y60 HydrophobicContact CB-CD2 4.19Å; I58-Y60 HydrophobicContact CB-CE2 4.09Å; I58-Y60 HydrophobicContact CG2-CD2 3.83Å; I58-Y60 HydrophobicContact CG2-CE2 3.57Å; I58-Y60 PolarHBondContact O-N 2.77Å; Y60-L62 PolarHBondContact O-N 3.46Å
61G24.6Very low41.7Very low69 Ų69126 Ų12671%0.71167%0.67SS**  trans-52.4109.2165.300000109.5
62L27.7Very low39.4Very low142 Ų142128 Ų12874%0.74370%0.703SS**  trans-155.197156.8-103.9161.9000108.3Y60 M64Y60-L62 PolarHBondContact O-N 3.46Å; L62-M64 HydrophobicContact CD2-CG 4.42Å; L62-M64 PolarHBondContact O-N 2.89Å
63Q24.5Very low37.3Very low189 Ų189130.9 Ų130.988%0.88373%0.726SS**  trans-43.9122.6145.9-69.7174.7-32.900108.5
64M27.2Very low34.8Very low141 Ų141133.8 Ų133.870%0.69575%0.754SS**  trans-139.6102.7153.1-82.3-56.8-142.100109.9L62 Y66L62-M64 HydrophobicContact CD2-CG 4.42Å; L62-M64 PolarHBondContact O-N 2.89Å; M64-Y66 HydrophobicContact CB-CD2 4.34Å; M64-Y66 HydrophobicContact CB-CE2 4.31Å; M64-Y66 PolarHBondContact O-N 3.24Å
65N25.9Very low32.3Very low155 Ų155136.3 Ų136.383%0.82979%0.786SS**  trans-43.7125.9148.7-87.8-27.3000109.2
66Y28Very low30.3Very low203 Ų203136.1 Ų136.180%0.79679%0.792SS**  trans-117.893.5159-97.6-83.6000109.3M64M64-Y66 HydrophobicContact CB-CD2 4.34Å; M64-Y66 HydrophobicContact CB-CE2 4.31Å; M64-Y66 PolarHBondContact O-N 3.24Å
67T28Very low28.8Very low116 Ų116138.1 Ų138.171%0.71281%0.805SS**  trans-91.9132.9147.441.40000108.2
68N30.3Very low28Very low151 Ų151135.1 Ų135.181%0.80780%0.799SS**  trans47110.6157-62.7-12.2000119.3
69T30.9Very low27.6Very low137 Ų137135.4 Ų135.484%0.8480%0.801SS**  -161.5140.1121.523.20000111.7
70T30Very low27.9Very low140 Ų140133.5 Ų133.586%0.85980%0.797SS**  trans-82138.6-177.643.90000113.4
71G27.4Very low28.5Very low86 Ų86130.5 Ų130.589%0.88780%0.799SS**  trans101.6128.4145.100000118
72G26.8Very low29.4Very low82 Ų82131.5 Ų131.585%0.84580%0.795SS**  trans130.5105.6152.100000116.4
73D31.7Very low30.8Very low165 Ų165136.6 Ų136.688%0.88281%0.805SS**  trans-55.3137.1170.9-81-40.9000114.1
74S26.7Very low33Very low123 Ų123129.3 Ų129.386%0.8677%0.773SS**  158.3122125.9-71.20000112.9
75G25.8Very low35.6Very low82 Ų82124.9 Ų124.985%0.84576%0.756SS**  trans77.979.2142.700000119.5
76A26.4Very low38.3Very low86 Ų86119.1 Ų119.171%0.71173%0.727SS**  trans-166.4120.5137.300000109V78A76-V78 VanDerWaalsContact C-N 3.28Å; A76-V78 HydrophobicContact CB-CG2 4.5Å; A76-V78 PolarHBondContact O-N 3.47Å
77I27.6Very low41.1Very low165 Ų165113.1 Ų113.185%0.84671%0.706SS**  trans-68.490.4171.4-62.3167000107L79I77-L79 HydrophobicContact CG2-CG 4.37Å; I77-L79 PolarHBondContact O-N 3.2Å
78V28.9Very low43.9Very low126 Ų126108.8 Ų108.876%0.76468%0.682SS**  trans-8796.4164-178.70000106.1A76A76-V78 VanDerWaalsContact C-N 3.28Å; A76-V78 HydrophobicContact CB-CG2 4.5Å; A76-V78 PolarHBondContact O-N 3.47Å
79L30.1Very low46.7Very low136 Ų136101.6 Ų101.671%0.71264%0.644SS**  trans-58132.5166.5-89.2150.9000108.1I77 T81I77-L79 HydrophobicContact CG2-CG 4.37Å; I77-L79 PolarHBondContact O-N 3.2Å; L79-T81 PolarHBondContact O-N 2.59Å
80P31.3Very low49.5Very low115 Ų11595.1 Ų95.175%0.74760%0.604SS**  trans-69.5103.1-176.528.8-31.1000108.2S82P80-S82 VanDerWaalsContact C-N 3.29Å; P80-S82 PolarHBondContact O-N 3.37Å
81T37.9Very low52.3Low131 Ų13189 Ų8980%0.80457%0.568SS**  trans-6992.5167.549.40000107.6L79 R83L79-T81 PolarHBondContact O-N 2.59Å; T81-R83 PolarHBondContact O-N 2.74Å
82S44.6Very low55.4Low90 Ų9085 Ų8563%0.62953%0.526SS*.  trans-51.5124.7160.741.60000107.7P80 V84P80-S82 VanDerWaalsContact C-N 3.29Å; P80-S82 PolarHBondContact O-N 3.37Å; S82-V84 VanDerWaalsContact C-N 3.32Å; S82-V84 WeakPolarHBondContact O-CG2 2.98Å; S82-V84 PolarHBondContact O-N 2.81Å
83R56.6Low58.4Low250 Ų25081.1 Ų81.194%0.94349%0.486SS*.  trans-6392177-74.1179.6175.5176.1-3.2108.9T81T81-R83 PolarHBondContact O-N 2.74Å
84V70Confident61.3Low36 Ų3673.3 Ų73.322%0.21844%0.444CS..  trans-78.8126.1175.5178.10000108.5V54 S82 A88 V89 L263V54-V84 WeakPolarHBondContact CG2-O 3.14Å; S82-V84 VanDerWaalsContact C-N 3.32Å; S82-V84 WeakPolarHBondContact O-CG2 2.98Å; S82-V84 PolarHBondContact O-N 2.81Å; V84-A88 HydrophobicContact CG1-CB 4.49Å; V84-V89 HydrophobicContact CG1-CG2 3.49Å; V84-V89 VanDerWaalsContact CG1-CG2 3.49Å; V84-L263 HydrophobicContact CG1-CD1 3.49Å; V84-L263 VanDerWaalsContact CG1-CD1 3.49Å; V84-L263 HydrophobicContact CG2-CD1 4.4Å
85S82Confident64.4Low48 Ų4868.5 Ų68.534%0.33641%0.407SS..  trans-76.5148.7177.986.70000111.7E87 A88 V89S85-E87 VanDerWaalsContact CB-OE2 3.29Å; S85-E87 WeakPolarHBondContact CB-OE2 3.07Å; S85-E87 PolarHBondContact O-N 3.47Å; S85-E87 PolarHBondContact OG-OE2 3.4Å; S85-A88 WeakPolarHBondContact O-CB 3.34Å; S85-A88 PolarHBondContact O-N 3.48Å; S85-A88 VanDerWaalsContact O-N 3.14Å; S85-A88 WeakPolarHBondContact OG-CB 3.36Å; S85-A88 PolarHBondContact OG-N 3.36Å; S85-V89 PolarHBondContact O-N 3.07Å
86P84.1Confident67.5Low34 Ų3464.6 Ų64.622%0.22137%0.367CS..Hα-helixtrans-57.1-37.7177.2-21.530.9000112.7L9 R50 V54 A88 V89 V90L9-P86 HydrophobicContact CD2-CB 4.03Å; R50-P86 HydrophobicContact CG-CB 4.37Å; V54-P86 HydrophobicContact CG1-CG 4.29Å; P86-A88 VanDerWaalsContact C-N 3.35Å; P86-V89 PolarHBondContact O-N 3.38Å; P86-V90 PolarHBondContact O-N 2.92Å
87E85.7Confident70.3Confident77 Ų7760.5 Ų60.536%0.3633%0.333SS..Hα-helixtrans-67.3-38.3179-43.790.5-171.200111.2L9 S85 V89 V90 A91L9-E87 HydrophobicContact CD2-CG 4.42Å; S85-E87 VanDerWaalsContact CB-OE2 3.29Å; S85-E87 WeakPolarHBondContact CB-OE2 3.07Å; S85-E87 PolarHBondContact O-N 3.47Å; S85-E87 PolarHBondContact OG-OE2 3.4Å; E87-V89 VanDerWaalsContact C-N 3.33Å; E87-V89 PolarHBondContact O-N 2.97Å; E87-V90 PolarHBondContact O-N 3.44Å; E87-A91 WeakPolarHBondContact O-CB 3.2Å; E87-A91 PolarHBondContact O-N 2.83Å
88A86.6Confident73.1Confident25 Ų2552.6 Ų52.621%0.20729%0.293CS..Hα-helixtrans-62.2-40.4177.700000111.7V84 S85 P86 T92V84-A88 HydrophobicContact CG1-CB 4.49Å; S85-A88 WeakPolarHBondContact O-CB 3.34Å; S85-A88 PolarHBondContact O-N 3.48Å; S85-A88 VanDerWaalsContact O-N 3.14Å; S85-A88 WeakPolarHBondContact OG-CB 3.36Å; S85-A88 PolarHBondContact OG-N 3.36Å; P86-A88 VanDerWaalsContact C-N 3.35Å; A88-T92 VanDerWaalsContact O-CB 3.26Å; A88-T92 WeakPolarHBondContact O-CB 3.22Å; A88-T92 PolarHBondContact O-N 3.39Å; A88-T92 PolarHBondContact O-OG1 2.79Å
89V88.7Confident75.8Confident0 Ų048.7 Ų48.70%027%0.269CS..Hα-helixtrans-62.3-48.3176-177.90000110.9V49 F53 V54 V84 S85 P86 E87 T92 L93 L263 I267V49-V89 HydrophobicContact CG1-CG1 4.37Å; F53-V89 HydrophobicContact CB-CG1 4.42Å; F53-V89 HydrophobicContact CB-CG2 4.03Å; F53-V89 HydrophobicContact CD2-CG1 4Å; F53-V89 HydrophobicContact CG-CG1 4.49Å; V54-V89 HydrophobicContact CG2-CG2 4.05Å; V84-V89 HydrophobicContact CG1-CG2 3.49Å; V84-V89 VanDerWaalsContact CG1-CG2 3.49Å; S85-V89 PolarHBondContact O-N 3.07Å; P86-V89 PolarHBondContact O-N 3.38Å; E87-V89 VanDerWaalsContact C-N 3.33Å; E87-V89 PolarHBondContact O-N 2.97Å; V89-T92 PolarHBondContact O-N 3.26Å; V89-L93 WeakPolarHBondContact O-CB 3.03Å; V89-L93 PolarHBondContact O-N 2.76Å; V89-L263 HydrophobicContact CG2-CD1 4.31Å; V89-I267 HydrophobicContact CG1-CD1 4.08Å
90V89.7Confident78.1Confident1 Ų144.1 Ų44.11%0.00624%0.244CC..Hα-helixtrans-71.1-41.1-177.5179.20000111.5L9 V46 R50 P86 E87 T92 L93 T94 I319L9-V90 HydrophobicContact CD1-CB 3.84Å; L9-V90 HydrophobicContact CD1-CG1 3.74Å; L9-V90 HydrophobicContact CD1-CG2 3.86Å; L9-V90 HydrophobicContact CD2-CB 4.44Å; L9-V90 HydrophobicContact CD2-CG2 3.98Å; L9-V90 HydrophobicContact CG-CB 4.47Å; L9-V90 HydrophobicContact CG-CG2 3.98Å; V46-V90 HydrophobicContact CG1-CB 4.34Å; V46-V90 HydrophobicContact CG1-CG1 3.76Å; V46-V90 HydrophobicContact CG1-CG2 3.7Å; R50-V90 HydrophobicContact CB-CG2 4.35Å; R50-V90 HydrophobicContact CG-CG2 4.39Å; P86-V90 PolarHBondContact O-N 2.92Å; E87-V90 PolarHBondContact O-N 3.44Å; V90-T92 VanDerWaalsContact C-N 3.3Å; V90-T92 PolarHBondContact O-N 2.99Å; V90-L93 WeakPolarHBondContact O-CB 3.38Å; V90-L93 PolarHBondContact O-N 3.47Å; V90-T94 PolarHBondContact O-N 3.29Å; V90-T94 PolarHBondContact O-OG1 3.39Å; V90-I319 HydrophobicContact CG1-CG1 4.39Å
91A90.4Very high80.1Confident12 Ų1238.6 Ų38.610%0.09921%0.208CC..Hα-helixtrans-60.2-41.9174.900000111.2E87 T94 F95E87-A91 WeakPolarHBondContact O-CB 3.2Å; E87-A91 PolarHBondContact O-N 2.83Å; A91-T94 PolarHBondContact O-N 2.98Å; A91-F95 VanDerWaalsContact O-CB 3.28Å; A91-F95 WeakPolarHBondContact O-CB 2.83Å; A91-F95 PolarHBondContact O-N 3.09Å
92T90.9Very high81.7Confident1 Ų133.7 Ų33.71%0.00618%0.181CC..Hα-helixtrans-67.1-39.8175.7-520000111.7A88 V89 V90 F95 A96 P259 D260 L263A88-T92 VanDerWaalsContact O-CB 3.26Å; A88-T92 WeakPolarHBondContact O-CB 3.22Å; A88-T92 PolarHBondContact O-N 3.39Å; A88-T92 PolarHBondContact O-OG1 2.79Å; V89-T92 PolarHBondContact O-N 3.26Å; V90-T92 VanDerWaalsContact C-N 3.3Å; V90-T92 PolarHBondContact O-N 2.99Å; T92-F95 PolarHBondContact O-N 2.83Å; T92-A96 VanDerWaalsContact O-CB 3.3Å; T92-A96 WeakPolarHBondContact O-CB 3Å; T92-A96 PolarHBondContact O-N 2.81Å; T92-P259 HydrophobicContact CG2-CB 4.48Å; T92-D260 WeakPolarHBondContact CG2-O 3.08Å; T92-D260 PolarHBondContact OG1-N 3.47Å; T92-D260 PolarHBondContact OG1-O 3.22Å; T92-L263 HydrophobicContact CG2-CB 4.08Å
93L91.2Very high82.9Confident1 Ų131.3 Ų31.31%0.00516%0.164CC..Hα-helixtrans-62.4-45.8174.4177.265.3000111.5V46 V49 V89 V90 A96 T97 I267 D270 A271 I274V46-L93 HydrophobicContact CB-CD2 4.18Å; V46-L93 HydrophobicContact CG1-CD2 4.06Å; V46-L93 HydrophobicContact CG2-CD2 3.9Å; V49-L93 HydrophobicContact CB-CD2 4.06Å; V49-L93 HydrophobicContact CG1-CD1 4.5Å; V49-L93 HydrophobicContact CG1-CD2 4.16Å; V49-L93 HydrophobicContact CG2-CD2 4.1Å; V89-L93 WeakPolarHBondContact O-CB 3.03Å; V89-L93 PolarHBondContact O-N 2.76Å; V90-L93 WeakPolarHBondContact O-CB 3.38Å; V90-L93 PolarHBondContact O-N 3.47Å; L93-A96 PolarHBondContact O-N 3.08Å; L93-T97 HydrophobicContact CD1-CG2 4.47Å; L93-T97 WeakPolarHBondContact O-CG2 3.32Å; L93-T97 PolarHBondContact O-N 2.79Å; L93-T97 PolarHBondContact O-OG1 3.44Å; L93-I267 HydrophobicContact CB-CG2 4.05Å; L93-I267 HydrophobicContact CD1-CG2 3.23Å; L93-I267 HydrophobicContact CG-CG2 4.18Å; L93-D270 HydrophobicContact CD1-CB 4.33Å; L93-A271 HydrophobicContact CD1-CB 4.01Å; L93-I274 HydrophobicContact CD1-CD1 4.05Å; L93-I274 HydrophobicContact CD2-CD1 3.83Å; L93-I274 HydrophobicContact CG-CD1 4.28Å
94T92.1Very high83.4Confident0 Ų020.6 Ų20.60%013%0.125CC..Hα-helixtrans-65.3-38.6176.8-52.80000112.1V90 A91 T97 G98 Q310 C318 P320V90-T94 PolarHBondContact O-N 3.29Å; V90-T94 PolarHBondContact O-OG1 3.39Å; A91-T94 PolarHBondContact O-N 2.98Å; T94-T97 WeakPolarHBondContact CA-OG1 3.19Å; T94-T97 PolarHBondContact O-N 2.77Å; T94-T97 PolarHBondContact O-OG1 3.29Å; T94-G98 PolarHBondContact O-N 3.32Å; T94-Q310 HydrophobicContact CG2-CB 4.33Å; T94-C318 WeakPolarHBondContact CB-O 3.31Å; T94-C318 WeakPolarHBondContact CG2-O 3.31Å; T94-C318 PolarHBondContact OG1-O 3.02Å; T94-P320 HydrophobicContact CG2-CG 4.4Å; T94-P320 WeakPolarHBondContact OG1-CD 3.2Å
95F92.3Very high83Confident22 Ų2222.1 Ų22.110%0.09613%0.127CC..Hα-helixtrans-63.2-47.6173.8178.6-98.7000110.4A91 T92 T97 G98 V99 P259 F261 F264 F311 S314 F315A91-F95 VanDerWaalsContact O-CB 3.28Å; A91-F95 WeakPolarHBondContact O-CB 2.83Å; A91-F95 PolarHBondContact O-N 3.09Å; T92-F95 PolarHBondContact O-N 2.83Å; F95-T97 PolarHBondContact O-N 2.97Å; F95-G98 PolarHBondContact O-N 3.43Å; F95-V99 HydrophobicContact CD1-CG2 4.08Å; F95-V99 HydrophobicContact CD2-CG2 4.42Å; F95-V99 HydrophobicContact CE1-CG2 3.69Å; F95-V99 HydrophobicContact CE2-CG2 4.11Å; F95-V99 HydrophobicContact CG-CG2 4.42Å; F95-V99 HydrophobicContact CZ-CG2 3.72Å; F95-V99 WeakPolarHBondContact O-CB 3.38Å; F95-V99 VanDerWaalsContact O-CG2 3.3Å; F95-V99 WeakPolarHBondContact O-CG2 3.48Å; F95-V99 PolarHBondContact O-N 3.47Å; F95-P259 HydrophobicContact CB-CB 3.94Å; F95-P259 HydrophobicContact CB-CG 3.8Å; F95-P259 HydrophobicContact CD1-CB 4.44Å; F95-P259 HydrophobicContact CD1-CG 3.88Å; F95-P259 HydrophobicContact CD2-CG 3.68Å; F95-P259 HydrophobicContact CE1-CG 4.37Å; F95-P259 HydrophobicContact CE2-CG 4.15Å; F95-P259 HydrophobicContact CG-CB 4.14Å; F95-P259 HydrophobicContact CG-CG 3.51Å; F95-P259 HydrophobicContact CZ-CG 4.49Å; F95-F261 HydrophobicContact CD1-CE1 4.49Å; F95-F261 HydrophobicContact CE1-CD1 4.44Å; F95-F261 AromaticContact CE1-CE1 3.67Å; F95-F261 HydrophobicContact CE1-CE1 3.67Å; F95-F261 HydrophobicContact CE1-CZ 4.49Å; F95-F261 AromaticContact CZ-CE1 3.9Å; F95-F261 HydrophobicContact CZ-CE1 3.9Å; F95-F261 HydrophobicContact CZ-CZ 4.36Å; F95-F264 HydrophobicContact CD1-CD2 4.15Å; F95-F264 AromaticContact CD1-CE2 3.79Å; F95-F264 HydrophobicContact CD1-CE2 3.79Å; F95-F264 HydrophobicContact CE1-CD2 4.37Å; F95-F264 AromaticContact CE1-CE2 3.91Å; F95-F264 HydrophobicContact CE1-CE2 3.91Å; F95-F311 HydrophobicContact CD2-CD2 4.04Å; F95-F311 HydrophobicContact CD2-CE2 4.01Å; F95-F311 AromaticContact CE2-CD2 3.78Å; F95-F311 HydrophobicContact CE2-CD2 3.78Å; F95-F311 AromaticContact CE2-CE2 3.3Å; F95-F311 HydrophobicContact CE2-CE2 3.3Å; F95-F311 HydrophobicContact CE2-CZ 4.14Å; F95-F311 AromaticContact CZ-CE2 3.97Å; F95-F311 HydrophobicContact CZ-CE2 3.97Å; F95-S314 WeakPolarHBondContact CB-OG 3.41Å; F95-F315 HydrophobicContact CD2-CZ 4.3Å; F95-F315 AromaticContact CE2-CZ 3.99Å; F95-F315 HydrophobicContact CE2-CZ 3.99Å
96A89.4Confident82Confident0 Ų025 Ų250%014%0.137CC..Hα-helixtrans-61.7-42.9177.300000112T92 L93 F100 F264 A271T92-A96 VanDerWaalsContact O-CB 3.3Å; T92-A96 WeakPolarHBondContact O-CB 3Å; T92-A96 PolarHBondContact O-N 2.81Å; L93-A96 PolarHBondContact O-N 3.08Å; A96-F100 WeakPolarHBondContact O-CB 3.26Å; A96-F100 VanDerWaalsContact O-CD2 3.23Å; A96-F100 WeakPolarHBondContact O-CD2 2.98Å; A96-F100 PolarHBondContact O-N 3.49Å; A96-F264 HydrophobicContact CB-CD2 4.04Å; A96-F264 HydrophobicContact CB-CE2 3.62Å; A96-F264 HydrophobicContact CB-CZ 4.19Å; A96-A271 HydrophobicContact CB-CB 3.54Å
97T87.1Confident80.9Confident0 Ų027.2 Ų27.20%015%0.147CC..Hα-helixtrans-63.8-42.3175.955.90000111.5L93 T94 F95 F100 S101 A271 I274 Q310 P320L93-T97 HydrophobicContact CD1-CG2 4.47Å; L93-T97 WeakPolarHBondContact O-CG2 3.32Å; L93-T97 PolarHBondContact O-N 2.79Å; L93-T97 PolarHBondContact O-OG1 3.44Å; T94-T97 WeakPolarHBondContact CA-OG1 3.19Å; T94-T97 PolarHBondContact O-N 2.77Å; T94-T97 PolarHBondContact O-OG1 3.29Å; F95-T97 PolarHBondContact O-N 2.97Å; T97-F100 PolarHBondContact O-N 2.71Å; T97-S101 PolarHBondContact O-N 3.34Å; T97-S101 PolarHBondContact O-OG 3.01Å; T97-A271 HydrophobicContact CG2-CB 3.93Å; T97-A271 VanDerWaalsContact CG2-O 3.3Å; T97-A271 WeakPolarHBondContact CG2-O 3.45Å; T97-I274 HydrophobicContact CG2-CB 3.82Å; T97-I274 HydrophobicContact CG2-CG2 3.67Å; T97-Q310 PolarHBondContact OG1-OE1 3.23Å; T97-P320 HydrophobicContact CG2-CG 4.38Å
98G86.4Confident79.6Confident0 Ų026.3 Ų26.30%014%0.142CC..Hα-helixtrans-64.6-46.117700000113T94 F95 F100 S101 A102T94-G98 PolarHBondContact O-N 3.32Å; F95-G98 PolarHBondContact O-N 3.43Å; G98-F100 VanDerWaalsContact C-N 3.31Å; G98-F100 PolarHBondContact O-N 2.55Å; G98-S101 PolarHBondContact O-N 3.1Å; G98-A102 WeakPolarHBondContact O-CB 3.25Å; G98-A102 PolarHBondContact O-N 2.7Å
99V84.6Confident77.8Confident44 Ų4427.6 Ų27.627%0.26715%0.153SC..Hα-helixtrans-60.3-42.6172.6171.30000110.2F95 A102 S103 F264 F311F95-V99 HydrophobicContact CD1-CG2 4.08Å; F95-V99 HydrophobicContact CD2-CG2 4.42Å; F95-V99 HydrophobicContact CE1-CG2 3.69Å; F95-V99 HydrophobicContact CE2-CG2 4.11Å; F95-V99 HydrophobicContact CG-CG2 4.42Å; F95-V99 HydrophobicContact CZ-CG2 3.72Å; F95-V99 WeakPolarHBondContact O-CB 3.38Å; F95-V99 VanDerWaalsContact O-CG2 3.3Å; F95-V99 WeakPolarHBondContact O-CG2 3.48Å; F95-V99 PolarHBondContact O-N 3.47Å; V99-A102 PolarHBondContact O-N 3.33Å; V99-S103 VanDerWaalsContact O-CB 3.23Å; V99-S103 WeakPolarHBondContact O-CB 3.31Å; V99-S103 PolarHBondContact O-N 2.71Å; V99-S103 PolarHBondContact O-OG 2.87Å; V99-F264 HydrophobicContact CG1-CZ 4.44Å; V99-F311 HydrophobicContact CG2-CD2 3.87Å; V99-F311 HydrophobicContact CG2-CE2 4.08Å
100F78.7Confident75.7Confident39 Ų3931.2 Ų31.217%0.17117%0.171CC..Hα-helixtrans-63.1-45.4175.3-93.1-62000112.4A96 T97 G98 A102 S103 L104 L268 A271 L272 C275A96-F100 WeakPolarHBondContact O-CB 3.26Å; A96-F100 VanDerWaalsContact O-CD2 3.23Å; A96-F100 WeakPolarHBondContact O-CD2 2.98Å; A96-F100 PolarHBondContact O-N 3.49Å; T97-F100 PolarHBondContact O-N 2.71Å; G98-F100 VanDerWaalsContact C-N 3.31Å; G98-F100 PolarHBondContact O-N 2.55Å; F100-A102 PolarHBondContact O-N 2.83Å; F100-S103 WeakPolarHBondContact CA-OG 3.46Å; F100-S103 PolarHBondContact O-N 3.45Å; F100-S103 PolarHBondContact O-OG 3.3Å; F100-L104 HydrophobicContact CB-CD1 4.4Å; F100-L104 HydrophobicContact CD1-CD1 4.43Å; F100-L104 WeakPolarHBondContact O-CA 3.48Å; F100-L104 WeakPolarHBondContact O-CB 3.48Å; F100-L104 WeakPolarHBondContact O-CD1 3.49Å; F100-L104 VanDerWaalsContact O-CG 3.28Å; F100-L104 WeakPolarHBondContact O-CG 3.33Å; F100-L104 PolarHBondContact O-N 3.33Å; F100-L268 HydrophobicContact CE2-CD1 3.49Å; F100-L268 VanDerWaalsContact CE2-CD1 3.49Å; F100-L268 HydrophobicContact CE2-CG 3.68Å; F100-L268 WeakPolarHBondContact CE2-O 3.15Å; F100-L268 HydrophobicContact CZ-CD1 3.54Å; F100-L268 HydrophobicContact CZ-CD2 4.25Å; F100-L268 HydrophobicContact CZ-CG 3.6Å; F100-A271 HydrophobicContact CD2-CB 4.01Å; F100-A271 HydrophobicContact CE2-CB 4.33Å; F100-L272 HydrophobicContact CD1-CD1 3.68Å; F100-L272 HydrophobicContact CE1-CD1 3.73Å; F100-L272 HydrophobicContact CG-CD1 4.23Å; F100-L272 HydrophobicContact CZ-CD1 4.31Å; F100-C275 HydrophobicContact CB-CB 4.37Å
101S73.9Confident73.7Confident0 Ų035.8 Ų35.80%020%0.199CC..Hα-helixtrans-62.4-41.9175.8-71.10000112.1T97 G98 R105 C275T97-S101 PolarHBondContact O-N 3.34Å; T97-S101 PolarHBondContact O-OG 3.01Å; G98-S101 PolarHBondContact O-N 3.1Å; S101-R105 PolarHBondContact O-N 3.49Å; S101-C275 PolarHBondContact OG-SG 3.03Å
102A70.4Confident71.6Confident28 Ų2840.7 Ų40.723%0.23122%0.218CC..Hα-helixtrans-67.2-45.6178.300000112.1G98 V99 F100 R105 I106G98-A102 WeakPolarHBondContact O-CB 3.25Å; G98-A102 PolarHBondContact O-N 2.7Å; V99-A102 PolarHBondContact O-N 3.33Å; F100-A102 PolarHBondContact O-N 2.83Å; A102-R105 PolarHBondContact O-N 2.89Å; A102-I106 PolarHBondContact O-N 2.93Å; A102-I106 VanDerWaalsContact O-N 3.14Å
103S69.7Low69.8Low39 Ų3941.6 Ų41.627%0.27322%0.223SC..Hα-helixtrans-71.2-38.9177.657.50000112.4V99 F100 R105 I106 I107V99-S103 VanDerWaalsContact O-CB 3.23Å; V99-S103 WeakPolarHBondContact O-CB 3.31Å; V99-S103 PolarHBondContact O-N 2.71Å; V99-S103 PolarHBondContact O-OG 2.87Å; F100-S103 WeakPolarHBondContact CA-OG 3.46Å; F100-S103 PolarHBondContact O-N 3.45Å; F100-S103 PolarHBondContact O-OG 3.3Å; S103-R105 VanDerWaalsContact C-N 3.32Å; S103-R105 PolarHBondContact O-N 3.46Å; S103-I106 CarbonylContact O-C 3.48Å; S103-I106 WeakPolarHBondContact O-CA 3.5Å; S103-I106 WeakPolarHBondContact O-CB 3.34Å; S103-I106 PolarHBondContact O-N 3.48Å; S103-I107 VanDerWaalsContact O-CG1 3.31Å; S103-I107 WeakPolarHBondContact O-CG1 2.85Å; S103-I107 PolarHBondContact O-N 2.96Å
104L67.5Low67.7Low25 Ų2542.6 Ų42.613%0.13123%0.234CC..Hα-helixtrans-65.7-32.3172.6-81162.2000111.6F100 I107 F108 L272 F303F100-L104 HydrophobicContact CB-CD1 4.4Å; F100-L104 HydrophobicContact CD1-CD1 4.43Å; F100-L104 WeakPolarHBondContact O-CA 3.48Å; F100-L104 WeakPolarHBondContact O-CB 3.48Å; F100-L104 WeakPolarHBondContact O-CD1 3.49Å; F100-L104 VanDerWaalsContact O-CG 3.28Å; F100-L104 WeakPolarHBondContact O-CG 3.33Å; F100-L104 PolarHBondContact O-N 3.33Å; L104-I107 HydrophobicContact CD2-CD1 4.4Å; L104-I107 CarbonylContact O-C 3.57Å; L104-I107 PolarHBondContact O-N 3.41Å; L104-F108 HydrophobicContact CD2-CE1 4.41Å; L104-F108 HydrophobicContact CD2-CZ 4.4Å; L104-F108 VanDerWaalsContact O-CB 3.23Å; L104-F108 WeakPolarHBondContact O-CB 3.34Å; L104-F108 VanDerWaalsContact O-CG 3.23Å; L104-F108 WeakPolarHBondContact O-CG 3.41Å; L104-F108 PolarHBondContact O-N 2.88Å; L104-L272 HydrophobicContact CD1-CD1 4.01Å; L104-F303 HydrophobicContact CB-CE1 3.6Å; L104-F303 HydrophobicContact CB-CZ 3.82Å; L104-F303 HydrophobicContact CD1-CZ 4.32Å
105R62.4Low65.9Low69 Ų6947.9 Ų47.926%0.2626%0.257SS..Hα-helixtrans-63.4-43.9167.6168.1166.9150.3142.5-8111S101 A102 S103 I107 F108 A109 D300 Q301 F303S101-R105 PolarHBondContact O-N 3.49Å; A102-R105 PolarHBondContact O-N 2.89Å; S103-R105 VanDerWaalsContact C-N 3.32Å; S103-R105 PolarHBondContact O-N 3.46Å; R105-I107 VanDerWaalsContact C-N 3.25Å; R105-I107 PolarHBondContact O-N 3.36Å; R105-F108 CarbonylContact O-C 3.11Å; R105-F108 PolarHBondContact O-N 3.19Å; R105-A109 WeakPolarHBondContact O-CB 2.84Å; R105-A109 PolarHBondContact O-N 3.09Å; R105-D300 PolarHBondContact NH1-O 3.01Å; R105-Q301 VanDerWaalsContact NH1-OE1 3.1Å; R105-F303 HydrophobicContact CB-CD1 4.03Å
106I59.7Low63.8Low108 Ų10849 Ų4955%0.55426%0.264SS*.Hα-helixtrans-59.1-44176-66.5168.2000109.1A102 S103 A109 I110A102-I106 PolarHBondContact O-N 2.93Å; A102-I106 VanDerWaalsContact O-N 3.14Å; S103-I106 CarbonylContact O-C 3.48Å; S103-I106 WeakPolarHBondContact O-CA 3.5Å; S103-I106 WeakPolarHBondContact O-CB 3.34Å; S103-I106 PolarHBondContact O-N 3.48Å; I106-A109 PolarHBondContact O-N 3.25Å; I106-I110 HydrophobicContact CG2-CD1 3.63Å; I106-I110 HydrophobicContact CG2-CG1 4.31Å; I106-I110 VanDerWaalsContact O-CB 3.23Å; I106-I110 WeakPolarHBondContact O-CB 3.48Å; I106-I110 WeakPolarHBondContact O-CD1 3.48Å; I106-I110 WeakPolarHBondContact O-CG1 3.44Å; I106-I110 PolarHBondContact O-N 2.95Å
107I62.2Low62Low81 Ų8149.4 Ų49.442%0.41527%0.267SS..Hα-helixtrans-64.3-42.8175.4-63.7163.4000111.5S103 L104 R105 I110 V111S103-I107 VanDerWaalsContact O-CG1 3.31Å; S103-I107 WeakPolarHBondContact O-CG1 2.85Å; S103-I107 PolarHBondContact O-N 2.96Å; L104-I107 HydrophobicContact CD2-CD1 4.4Å; L104-I107 CarbonylContact O-C 3.57Å; L104-I107 PolarHBondContact O-N 3.41Å; R105-I107 VanDerWaalsContact C-N 3.25Å; R105-I107 PolarHBondContact O-N 3.36Å; I107-I110 CarbonylContact O-C 3.54Å; I107-I110 WeakPolarHBondContact O-CB 3.26Å; I107-I110 PolarHBondContact O-N 3.38Å; I107-V111 HydrophobicContact CG2-CG2 4.17Å; I107-V111 WeakPolarHBondContact O-CB 3.16Å; I107-V111 WeakPolarHBondContact O-CG2 3.2Å; I107-V111 PolarHBondContact O-N 3.05Å
108F58.4Low60.2Low57 Ų5754.8 Ų54.825%0.2530%0.299CS..Hα-helixtrans-71.9-29.7178.9-73.2-17.7000112.5L104 R105 K112 V113 F303L104-F108 HydrophobicContact CD2-CE1 4.41Å; L104-F108 HydrophobicContact CD2-CZ 4.4Å; L104-F108 VanDerWaalsContact O-CB 3.23Å; L104-F108 WeakPolarHBondContact O-CB 3.34Å; L104-F108 VanDerWaalsContact O-CG 3.23Å; L104-F108 WeakPolarHBondContact O-CG 3.41Å; L104-F108 PolarHBondContact O-N 2.88Å; R105-F108 CarbonylContact O-C 3.11Å; R105-F108 PolarHBondContact O-N 3.19Å; F108-K112 CarbonylContact O-C 3.52Å; F108-K112 WeakPolarHBondContact O-CA 3.47Å; F108-K112 PolarHBondContact O-N 2.89Å; F108-V113 HydrophobicContact CD1-CB 3.95Å; F108-V113 HydrophobicContact CD1-CG2 3.75Å; F108-V113 HydrophobicContact CE1-CB 4.43Å; F108-V113 HydrophobicContact CE1-CG2 4.38Å; F108-V113 HydrophobicContact CG-CB 4.47Å; F108-V113 PolarHBondContact O-N 2.91Å; F108-F303 AromaticContact CD2-CD1 3.87Å; F108-F303 HydrophobicContact CD2-CD1 3.87Å; F108-F303 AromaticContact CD2-CE1 3.56Å; F108-F303 HydrophobicContact CD2-CE1 3.56Å; F108-F303 HydrophobicContact CD2-CZ 4.43Å; F108-F303 HydrophobicContact CE2-CD1 4.25Å; F108-F303 AromaticContact CE2-CE1 3.64Å; F108-F303 HydrophobicContact CE2-CE1 3.64Å; F108-F303 HydrophobicContact CE2-CZ 4.07Å
109A48.3Very low58.5Low53 Ų5355.6 Ų55.644%0.43830%0.304SS..Hα-helixtrans-72.9-35.6170.200000111.2R105 I106R105-A109 WeakPolarHBondContact O-CB 2.84Å; R105-A109 PolarHBondContact O-N 3.09Å; I106-A109 PolarHBondContact O-N 3.25Å
110I44.4Very low57Low76 Ų7655.5 Ų55.539%0.3930%0.301SS..Hα-helixtrans-67-46.8173.6-75.1169.1000110.6I106 I107 K112 W619I106-I110 HydrophobicContact CG2-CD1 3.63Å; I106-I110 HydrophobicContact CG2-CG1 4.31Å; I106-I110 VanDerWaalsContact O-CB 3.23Å; I106-I110 WeakPolarHBondContact O-CB 3.48Å; I106-I110 WeakPolarHBondContact O-CD1 3.48Å; I106-I110 WeakPolarHBondContact O-CG1 3.44Å; I106-I110 PolarHBondContact O-N 2.95Å; I107-I110 CarbonylContact O-C 3.54Å; I107-I110 WeakPolarHBondContact O-CB 3.26Å; I107-I110 PolarHBondContact O-N 3.38Å; I110-K112 VanDerWaalsContact C-N 3.35Å; I110-W619 VanDerWaalsContact CA-CH2 3.44Å; I110-W619 VanDerWaalsContact CA-CZ2 3.47Å; I110-W619 HydrophobicContact CB-CH2 3.65Å; I110-W619 HydrophobicContact CB-CZ2 4.17Å; I110-W619 HydrophobicContact CB-CZ3 4.4Å; I110-W619 HydrophobicContact CG1-CH2 3.76Å; I110-W619 HydrophobicContact CG1-CZ2 4.25Å; I110-W619 HydrophobicContact CG2-CH2 3.42Å; I110-W619 VanDerWaalsContact CG2-CH2 3.42Å; I110-W619 HydrophobicContact CG2-CZ2 4.37Å; I110-W619 HydrophobicContact CG2-CZ3 3.71Å; I110-W619 VanDerWaalsContact O-CH2 3.31Å; I110-W619 WeakPolarHBondContact O-CH2 3.23Å; I110-W619 VanDerWaalsContact O-CZ2 3.31Å; I110-W619 WeakPolarHBondContact O-CZ2 3.44Å; I110-W619 WeakPolarHBondContact O-CZ3 3.38Å
111V48.8Very low55.8Low96 Ų9654.8 Ų54.858%0.58230%0.301SS*.Hα-helixtrans-90.7-2.2-176.2-170.60000111.2I107 V113I107-V111 HydrophobicContact CG2-CG2 4.17Å; I107-V111 WeakPolarHBondContact O-CB 3.16Å; I107-V111 WeakPolarHBondContact O-CG2 3.2Å; I107-V111 PolarHBondContact O-N 3.05Å; V111-V113 HydrophobicContact CB-CG2 3.39Å; V111-V113 HydrophobicContact CG1-CG2 3.39Å; V111-V113 PolarHBondContact O-N 2.96Å
112K46.3Very low54.8Low115 Ų11558.8 Ų58.850%0.532%0.323SS..THydrogen-bonded Turntrans43.844.5-172.8-75.9-166.4173.4-172.10113.3F108 I110 G114 M616F108-K112 CarbonylContact O-C 3.52Å; F108-K112 WeakPolarHBondContact O-CA 3.47Å; F108-K112 PolarHBondContact O-N 2.89Å; I110-K112 VanDerWaalsContact C-N 3.35Å; K112-G114 PolarHBondContact O-N 2.95Å; K112-G114 VanDerWaalsContact O-N 3.11Å; K112-M616 HydrophobicContact CD-CE 4.46Å
113V52.1Low54.1Low20 Ų2062.6 Ų62.612%0.12134%0.336CS..G310 helixtrans-83.924.2-176.5-139.20000113.2F108 V111 F115 L116F108-V113 HydrophobicContact CD1-CB 3.95Å; F108-V113 HydrophobicContact CD1-CG2 3.75Å; F108-V113 HydrophobicContact CE1-CB 4.43Å; F108-V113 HydrophobicContact CE1-CG2 4.38Å; F108-V113 HydrophobicContact CG-CB 4.47Å; F108-V113 PolarHBondContact O-N 2.91Å; V111-V113 HydrophobicContact CB-CG2 3.39Å; V111-V113 HydrophobicContact CG1-CG2 3.39Å; V111-V113 PolarHBondContact O-N 2.96Å; V113-F115 HydrophobicContact CG1-CD1 3.92Å; V113-F115 HydrophobicContact CG1-CE1 3.75Å; V113-F115 PolarHBondContact O-N 2.94Å; V113-L116 HydrophobicContact CB-CD1 4.44Å; V113-L116 HydrophobicContact CG1-CB 3.88Å; V113-L116 HydrophobicContact CG1-CD1 3.23Å; V113-L116 HydrophobicContact CG1-CG 4.01Å; V113-L116 WeakPolarHBondContact O-CB 3.08Å; V113-L116 PolarHBondContact O-N 2.8Å
114G47.2Very low53.2Low23 Ų2362.5 Ų62.524%0.23733%0.333CS..G310 helixtrans-52.9-25.8175.100000112.7K112 L116 S117K112-G114 PolarHBondContact O-N 2.95Å; K112-G114 VanDerWaalsContact O-N 3.11Å; G114-L116 VanDerWaalsContact C-N 3.28Å; G114-L116 PolarHBondContact O-N 2.99Å; G114-S117 PolarHBondContact O-N 2.94Å; G114-S117 PolarHBondContact O-OG 2.92Å
115F53.5Low52.5Low110 Ų11062.3 Ų62.348%0.48233%0.334SS..G310 helixtrans-64.6-25.3174.9101.4-85000114.2V113 S117 V118 L119V113-F115 HydrophobicContact CG1-CD1 3.92Å; V113-F115 HydrophobicContact CG1-CE1 3.75Å; V113-F115 PolarHBondContact O-N 2.94Å; F115-S117 PolarHBondContact O-N 2.84Å; F115-V118 WeakPolarHBondContact O-CB 3.44Å; F115-V118 PolarHBondContact O-N 3.49Å; F115-V118 VanDerWaalsContact O-N 3.09Å; F115-L119 HydrophobicContact CD2-CD1 3.7Å; F115-L119 HydrophobicContact CD2-CG 4.28Å; F115-L119 HydrophobicContact CE2-CD1 3.2Å; F115-L119 HydrophobicContact CE2-CG 4.14Å; F115-L119 HydrophobicContact CZ-CD1 3.83Å
116L49.6Very low51.9Low46 Ų4661.1 Ų61.124%0.24134%0.339CS..G310 helixtrans-69.5-21.9179.4-112.2149.8000112.6V113 G114 V118 L119 L441 L445V113-L116 HydrophobicContact CB-CD1 4.44Å; V113-L116 HydrophobicContact CG1-CB 3.88Å; V113-L116 HydrophobicContact CG1-CD1 3.23Å; V113-L116 HydrophobicContact CG1-CG 4.01Å; V113-L116 WeakPolarHBondContact O-CB 3.08Å; V113-L116 PolarHBondContact O-N 2.8Å; G114-L116 VanDerWaalsContact C-N 3.28Å; G114-L116 PolarHBondContact O-N 2.99Å; L116-V118 VanDerWaalsContact C-N 3.29Å; L116-L119 HydrophobicContact CB-CD1 4.43Å; L116-L119 HydrophobicContact CD2-CD1 3.96Å; L116-L119 HydrophobicContact CG-CD1 3.78Å; L116-L119 WeakPolarHBondContact O-CB 3.11Å; L116-L119 PolarHBondContact O-N 2.87Å; L116-L441 HydrophobicContact CD2-CD2 3.84Å; L116-L445 HydrophobicContact CD2-CD2 4.17Å
117S50.6Low51.6Low8 Ų856.6 Ų56.66%0.05632%0.319CS..G310 helixtrans-69.2-27.3171.171.30000112.8G114 F115 L119 Y279 S299G114-S117 PolarHBondContact O-N 2.94Å; G114-S117 PolarHBondContact O-OG 2.92Å; F115-S117 PolarHBondContact O-N 2.84Å; S117-L119 VanDerWaalsContact C-N 3.3Å; S117-Y279 VanDerWaalsContact CB-OH 3.32Å; S117-Y279 WeakPolarHBondContact CB-OH 3.14Å; S117-S299 WeakPolarHBondContact OG-CB 3.09Å; S117-S299 PolarHBondContact OG-OG 3.35Å
118V49.5Very low51.3Low113 Ų11355.1 Ų55.169%0.68531%0.31SS*.THydrogen-bonded Turntrans-78.6-16.9176.9-176.30000111.7F115 L116F115-V118 WeakPolarHBondContact O-CB 3.44Å; F115-V118 PolarHBondContact O-N 3.49Å; F115-V118 VanDerWaalsContact O-N 3.09Å; L116-V118 VanDerWaalsContact C-N 3.29Å
119L51.4Low51Low18 Ų1854.6 Ų54.69%0.09431%0.311CS..THydrogen-bonded Turntrans-81.3-12-175.2-80.5163.6000114.4F115 L116 S117 S121 P444 L445 T448F115-L119 HydrophobicContact CD2-CD1 3.7Å; F115-L119 HydrophobicContact CD2-CG 4.28Å; F115-L119 HydrophobicContact CE2-CD1 3.2Å; F115-L119 HydrophobicContact CE2-CG 4.14Å; F115-L119 HydrophobicContact CZ-CD1 3.83Å; L116-L119 HydrophobicContact CB-CD1 4.43Å; L116-L119 HydrophobicContact CD2-CD1 3.96Å; L116-L119 HydrophobicContact CG-CD1 3.78Å; L116-L119 WeakPolarHBondContact O-CB 3.11Å; L116-L119 PolarHBondContact O-N 2.87Å; S117-L119 VanDerWaalsContact C-N 3.3Å; L119-S121 PolarHBondContact O-N 3.37Å; L119-P444 WeakPolarHBondContact O-CB 3.27Å; L119-L445 HydrophobicContact CD1-CD2 3.41Å; L119-L445 VanDerWaalsContact CD1-CD2 3.41Å; L119-T448 VanDerWaalsContact CD2-CB 3.43Å; L119-T448 HydrophobicContact CD2-CG2 3.62Å; L119-T448 WeakPolarHBondContact CD2-OG1 3.42Å
120I53.6Low51.3Low41 Ų4153.7 Ų53.721%0.2130%0.3CS..SBendtrans-80.4103.9177.6-60161.2000107.7C280I120-C280 HydrophobicContact CD1-CB 4.15Å; I120-C280 WeakPolarHBondContact CD1-SG 3.29Å
121S53.4Low51.9Low24 Ų2451.7 Ų51.717%0.16830%0.295CS..  trans-67.3137.8179.3128.30000110.7L119 Q123 V124 S125L119-S121 PolarHBondContact O-N 3.37Å; S121-Q123 PolarHBondContact O-N 3.31Å; S121-Q123 WeakPolarHBondContact OG-CB 3.33Å; S121-Q123 PolarHBondContact OG-N 3.11Å; S121-Q123 PolarHBondContact OG-OE1 3.04Å; S121-V124 WeakPolarHBondContact O-CB 3.42Å; S121-V124 PolarHBondContact O-N 3.03Å; S121-V124 PolarHBondContact OG-N 3.5Å; S121-S125 PolarHBondContact O-N 3.49Å; S121-S125 VanDerWaalsContact O-N 3.1Å
122D51.2Low52Low85 Ų8547.6 Ų47.646%0.45527%0.271SS..Hα-helixtrans-49.4-35174.7-67.8-24.1000111.6A126D122-A126 WeakPolarHBondContact O-CB 3.45Å; D122-A126 PolarHBondContact O-N 3.36Å
123Q56.3Low52.4Low108 Ų10842.6 Ų42.651%0.50525%0.252SS..Hα-helixtrans-69.6-39.3179.8-57.574.914.200112.3S121 G127S121-Q123 PolarHBondContact O-N 3.31Å; S121-Q123 WeakPolarHBondContact OG-CB 3.33Å; S121-Q123 PolarHBondContact OG-N 3.11Å; S121-Q123 PolarHBondContact OG-OE1 3.04Å; Q123-G127 PolarHBondContact O-N 3.15Å
124V51Low52.8Low37 Ų3744.2 Ų44.222%0.22426%0.262CS..Hα-helixtrans-68.2-42.5176.5173.20000110.3S121 G127 F128 L440 P444S121-V124 WeakPolarHBondContact O-CB 3.42Å; S121-V124 PolarHBondContact O-N 3.03Å; S121-V124 PolarHBondContact OG-N 3.5Å; V124-G127 PolarHBondContact O-N 2.82Å; V124-F128 WeakPolarHBondContact O-CB 3.08Å; V124-F128 PolarHBondContact O-N 3.46Å; V124-L440 HydrophobicContact CG1-CD2 3.27Å; V124-L440 HydrophobicContact CG1-CG 3.98Å; V124-P444 HydrophobicContact CG2-CG 4.25Å
125S51.8Low53.5Low21 Ų2145.9 Ų45.915%0.14726%0.264CS..Hα-helixtrans-62.5-43.7175.8-166.30000111.8S121 F128 T129 S284S121-S125 PolarHBondContact O-N 3.49Å; S121-S125 VanDerWaalsContact O-N 3.1Å; S125-F128 PolarHBondContact O-N 2.63Å; S125-T129 PolarHBondContact O-N 3.48Å; S125-T129 PolarHBondContact O-OG1 2.62Å; S125-S284 PolarHBondContact OG-OG 3.23Å
126A51.4Low53.6Low43 Ų4341.5 Ų41.536%0.35525%0.246SC..Hα-helixtrans-63.6-42.3175.700000112.9D122 T129 T130D122-A126 WeakPolarHBondContact O-CB 3.45Å; D122-A126 PolarHBondContact O-N 3.36Å; A126-T129 WeakPolarHBondContact CA-OG1 3.38Å; A126-T129 PolarHBondContact O-OG1 2.75Å; A126-T130 WeakPolarHBondContact O-CB 3.37Å; A126-T130 PolarHBondContact O-N 2.9Å; A126-T130 PolarHBondContact O-OG1 2.99Å
127G52.1Low54.2Low14 Ų1442.3 Ų42.314%0.14425%0.25CS..Hα-helixtrans-61.7-47.1175.300000112.2Q123 V124 T130 A131Q123-G127 PolarHBondContact O-N 3.15Å; V124-G127 PolarHBondContact O-N 2.82Å; G127-T130 PolarHBondContact O-N 2.95Å; G127-A131 PolarHBondContact O-N 3.31Å
128F55.9Low54.9Low50 Ų5042.2 Ų42.222%0.21925%0.249CC..Hα-helixtrans-62.7-47.1177.9178.4-101.6000112.5V41 V124 S125 T130 A131 A132 V277 L440V41-F128 HydrophobicContact CG1-CZ 4.12Å; V124-F128 WeakPolarHBondContact O-CB 3.08Å; V124-F128 PolarHBondContact O-N 3.46Å; S125-F128 PolarHBondContact O-N 2.63Å; F128-T130 VanDerWaalsContact C-N 3.29Å; F128-T130 PolarHBondContact O-N 2.85Å; F128-A131 PolarHBondContact O-N 3.28Å; F128-A132 WeakPolarHBondContact O-CB 3.39Å; F128-A132 PolarHBondContact O-N 3.32Å; F128-V277 HydrophobicContact CE1-CG1 3.87Å; F128-V277 HydrophobicContact CZ-CG1 3.84Å; F128-V277 HydrophobicContact CZ-CG2 4.45Å; F128-L440 HydrophobicContact CB-CD2 4.46Å; F128-L440 HydrophobicContact CD2-CD1 3.74Å; F128-L440 HydrophobicContact CE2-CD1 4.35Å; F128-L440 HydrophobicContact CG-CD1 4.45Å
129T52.5Low55.5Low46 Ų4637.7 Ų37.728%0.28222%0.224SC..Hα-helixtrans-64.1-32.9177.935.40000112.7S125 A126 A132 G133S125-T129 PolarHBondContact O-N 3.48Å; S125-T129 PolarHBondContact O-OG1 2.62Å; A126-T129 WeakPolarHBondContact CA-OG1 3.38Å; A126-T129 PolarHBondContact O-OG1 2.75Å; T129-A132 WeakPolarHBondContact O-CB 3.35Å; T129-G133 PolarHBondContact O-N 2.95Å
130T55.8Low56.1Low34 Ų3437.7 Ų37.721%0.20922%0.223CC..Hα-helixtrans-67.8-48.3174.7-52.80000111.4A126 G127 F128 A132 G133 V134A126-T130 WeakPolarHBondContact O-CB 3.37Å; A126-T130 PolarHBondContact O-N 2.9Å; A126-T130 PolarHBondContact O-OG1 2.99Å; G127-T130 PolarHBondContact O-N 2.95Å; F128-T130 VanDerWaalsContact C-N 3.29Å; F128-T130 PolarHBondContact O-N 2.85Å; T130-A132 VanDerWaalsContact C-N 3.34Å; T130-A132 PolarHBondContact O-N 3.24Å; T130-G133 WeakPolarHBondContact O-CA 3.38Å; T130-G133 PolarHBondContact O-N 2.77Å; T130-V134 PolarHBondContact O-N 2.57Å; T130-V134 VanDerWaalsContact O-N 3.08Å
131A55.8Low56.8Low33 Ų3337.9 Ų37.927%0.27322%0.224SC..Hα-helixtrans-62.1-42.6177.700000111.9G127 F128 G133 V134 H135G127-A131 PolarHBondContact O-N 3.31Å; F128-A131 PolarHBondContact O-N 3.28Å; A131-G133 VanDerWaalsContact C-N 3.32Å; A131-G133 PolarHBondContact O-N 3.11Å; A131-V134 PolarHBondContact O-N 3.15Å; A131-H135 PolarHBondContact O-N 3.43Å
132A52.1Low57.4Low10 Ų1038.4 Ų38.48%0.08323%0.225CC..Hα-helixtrans-53.9-46168.800000112.7V41 F128 T129 T130 V134 H135 V136V41-A132 HydrophobicContact CB-CB 4.47Å; V41-A132 HydrophobicContact CG2-CB 3.16Å; F128-A132 WeakPolarHBondContact O-CB 3.39Å; F128-A132 PolarHBondContact O-N 3.32Å; T129-A132 WeakPolarHBondContact O-CB 3.35Å; T130-A132 VanDerWaalsContact C-N 3.34Å; T130-A132 PolarHBondContact O-N 3.24Å; A132-V134 VanDerWaalsContact C-N 3.32Å; A132-V134 PolarHBondContact O-N 2.89Å; A132-H135 WeakPolarHBondContact O-CB 3.23Å; A132-H135 PolarHBondContact O-N 2.95Å; A132-V136 VanDerWaalsContact O-CG2 3.28Å; A132-V136 WeakPolarHBondContact O-CG2 3.34Å; A132-V136 PolarHBondContact O-N 3.39Å
133G53.7Low58Low10 Ų1036.9 Ų36.910%0.10322%0.215CC..Hα-helixtrans-58-41.8176.600000112.7T129 T130 A131 V136 L137T129-G133 PolarHBondContact O-N 2.95Å; T130-G133 WeakPolarHBondContact O-CA 3.38Å; T130-G133 PolarHBondContact O-N 2.77Å; A131-G133 VanDerWaalsContact C-N 3.32Å; A131-G133 PolarHBondContact O-N 3.11Å; G133-V136 PolarHBondContact O-N 3.38Å; G133-L137 WeakPolarHBondContact O-CB 3Å; G133-L137 PolarHBondContact O-N 2.75Å
134V61.2Low58.4Low54 Ų5434.5 Ų34.533%0.32721%0.205SC..Hα-helixtrans-64.8-42.8175.3179.40000111.3T130 A131 A132 L137 S138 L158 F386T130-V134 PolarHBondContact O-N 2.57Å; T130-V134 VanDerWaalsContact O-N 3.08Å; A131-V134 PolarHBondContact O-N 3.15Å; A132-V134 VanDerWaalsContact C-N 3.32Å; A132-V134 PolarHBondContact O-N 2.89Å; V134-L137 PolarHBondContact O-N 3.28Å; V134-S138 PolarHBondContact O-N 3.38Å; V134-L158 HydrophobicContact CG1-CD1 4.24Å; V134-L158 HydrophobicContact CG1-CD2 3.99Å; V134-F386 HydrophobicContact CG2-CE2 4.45Å
135H61Low59.3Low59 Ų5935.3 Ų35.327%0.27321%0.206SC..Hα-helixtrans-61.5-44.6175.4-95-66.7000112.6M44 A131 A132 L137 S138 A139 L158M44-H135 HydrophobicContact CE-CB 4.33Å; M44-H135 HydrophobicContact SD-CB 4.47Å; A131-H135 PolarHBondContact O-N 3.43Å; A132-H135 WeakPolarHBondContact O-CB 3.23Å; A132-H135 PolarHBondContact O-N 2.95Å; H135-L137 VanDerWaalsContact C-N 3.34Å; H135-S138 PolarHBondContact O-N 2.92Å; H135-S138 PolarHBondContact O-OG 2.81Å; H135-A139 WeakPolarHBondContact O-CB 3.46Å; H135-A139 PolarHBondContact O-N 3.47Å; H135-L158 WeakPolarHBondContact ND1-CD1 3.43Å
136V55.6Low60.1Low18 Ų1835.8 Ų35.811%0.10921%0.214CC..Hα-helixtrans-63.2-43176.9174.30000110.2A40 M44 A132 G133 S138 A139 Q140A40-V136 HydrophobicContact CB-CB 4.39Å; A40-V136 HydrophobicContact CB-CG1 3.95Å; A40-V136 HydrophobicContact CB-CG2 3.48Å; A40-V136 VanDerWaalsContact CB-CG2 3.48Å; M44-V136 HydrophobicContact SD-CG2 4.27Å; A132-V136 VanDerWaalsContact O-CG2 3.28Å; A132-V136 WeakPolarHBondContact O-CG2 3.34Å; A132-V136 PolarHBondContact O-N 3.39Å; G133-V136 PolarHBondContact O-N 3.38Å; V136-S138 VanDerWaalsContact C-N 3.34Å; V136-S138 PolarHBondContact O-N 3.45Å; V136-A139 PolarHBondContact O-N 3.34Å; V136-Q140 HydrophobicContact CG1-CG 4.49Å; V136-Q140 WeakPolarHBondContact O-CG 2.89Å; V136-Q140 PolarHBondContact O-N 2.81Å
137L62.5Low61.1Low63 Ų6334.3 Ų34.333%0.3320%0.201SC..Hα-helixtrans-58.1-47.5175.5-163.4105.6000111G133 V134 H135 A139 Q140 L141 F379G133-L137 WeakPolarHBondContact O-CB 3Å; G133-L137 PolarHBondContact O-N 2.75Å; V134-L137 PolarHBondContact O-N 3.28Å; H135-L137 VanDerWaalsContact C-N 3.34Å; L137-A139 VanDerWaalsContact C-N 3.32Å; L137-A139 PolarHBondContact O-N 2.89Å; L137-Q140 PolarHBondContact O-N 2.77Å; L137-L141 PolarHBondContact O-N 2.83Å; L137-F379 HydrophobicContact CD1-CD2 4.49Å; L137-F379 HydrophobicContact CD1-CE1 4.05Å; L137-F379 HydrophobicContact CD1-CE2 3.8Å; L137-F379 HydrophobicContact CD1-CZ 3.56Å; L137-F379 HydrophobicContact CG-CE2 4.47Å; L137-F379 HydrophobicContact CG-CZ 4.3Å
138S65.3Low62Low6 Ų642.2 Ų42.24%0.04223%0.231CC..Hα-helixtrans-61.9-38.217972.80000113.2V134 H135 V136 Q140 L141 L158V134-S138 PolarHBondContact O-N 3.38Å; H135-S138 PolarHBondContact O-N 2.92Å; H135-S138 PolarHBondContact O-OG 2.81Å; V136-S138 VanDerWaalsContact C-N 3.34Å; V136-S138 PolarHBondContact O-N 3.45Å; S138-Q140 PolarHBondContact O-N 3.14Å; S138-L141 PolarHBondContact O-N 2.98Å; S138-L158 VanDerWaalsContact OG-CD1 3.26Å; S138-L158 WeakPolarHBondContact OG-CD1 3.2Å
139A61.4Low62.8Low18 Ų1841.1 Ų41.115%0.14923%0.227CC..Hα-helixtrans-78.61.5-179.100000113.8M44 H135 V136 L137 D142M44-A139 HydrophobicContact CE-CB 4.09Å; M44-A139 HydrophobicContact SD-CB 3.96Å; H135-A139 WeakPolarHBondContact O-CB 3.46Å; H135-A139 PolarHBondContact O-N 3.47Å; V136-A139 PolarHBondContact O-N 3.34Å; L137-A139 VanDerWaalsContact C-N 3.32Å; L137-A139 PolarHBondContact O-N 2.89Å; A139-D142 VanDerWaalsContact O-OD1 3.08Å
140Q64.7Low63.4Low17 Ų1743 Ų438%0.07924%0.242CC..Hα-helixtrans-112.4-12.7175.4-62.9-70.722.800112.4V136 L137 S138 D142 K143 L144 E369V136-Q140 HydrophobicContact CG1-CG 4.49Å; V136-Q140 WeakPolarHBondContact O-CG 2.89Å; V136-Q140 PolarHBondContact O-N 2.81Å; L137-Q140 PolarHBondContact O-N 2.77Å; S138-Q140 PolarHBondContact O-N 3.14Å; Q140-D142 VanDerWaalsContact C-N 3.33Å; Q140-K143 PolarHBondContact O-N 3.29Å; Q140-L144 WeakPolarHBondContact O-CB 3.25Å; Q140-L144 PolarHBondContact O-N 2.64Å; Q140-L144 VanDerWaalsContact O-N 3.09Å; Q140-E369 PolarHBondContact NE2-OE2 3.5Å; Q140-E369 PolarHBondContact OE1-OE1 2.71Å; Q140-E369 PolarHBondContact OE1-OE2 3.48Å
141L67.8Low63.8Low45 Ų4547.1 Ų47.124%0.23625%0.254CS..Hα-helixtrans-66.9-35.1179.8-74.6172.8000112L137 S138 K143 L144 F145 I165L137-L141 PolarHBondContact O-N 2.83Å; S138-L141 PolarHBondContact O-N 2.98Å; L141-K143 VanDerWaalsContact C-N 3.34Å; L141-K143 PolarHBondContact O-N 2.98Å; L141-L144 PolarHBondContact O-N 3.46Å; L141-F145 HydrophobicContact CB-CD2 4.4Å; L141-F145 HydrophobicContact CB-CE2 4.39Å; L141-F145 HydrophobicContact CD2-CE2 4.02Å; L141-F145 WeakPolarHBondContact O-CD2 3.11Å; L141-F145 PolarHBondContact O-N 2.74Å; L141-I165 HydrophobicContact CB-CD1 3.6Å; L141-I165 HydrophobicContact CB-CG1 4.42Å; L141-I165 HydrophobicContact CD1-CD1 3.87Å; L141-I165 HydrophobicContact CG-CD1 4.38Å
142D66Low64.1Low35 Ų3548.4 Ų48.419%0.18725%0.254CS..Hα-helixtrans-54.3-48.9174.460.7-22.1000112.1A139 Q140 F145 G146 V147 I149A139-D142 VanDerWaalsContact O-OD1 3.08Å; Q140-D142 VanDerWaalsContact C-N 3.33Å; D142-F145 PolarHBondContact O-N 3.41Å; D142-G146 PolarHBondContact O-N 2.66Å; D142-V147 PolarHBondContact O-N 3.3Å; D142-I149 HydrophobicContact CB-CD1 3.34Å; D142-I149 HydrophobicContact CB-CG1 3.55Å
143K64.9Low64Low53 Ų5352.9 Ų52.923%0.2329%0.285CS..Hα-helixtrans-70.8-35.2177.9-60.1175.6-159.3155.90112.8Q140 L141 F145 G146 E369Q140-K143 PolarHBondContact O-N 3.29Å; L141-K143 VanDerWaalsContact C-N 3.34Å; L141-K143 PolarHBondContact O-N 2.98Å; K143-F145 VanDerWaalsContact C-N 3.27Å; K143-F145 PolarHBondContact O-N 2.81Å; K143-G146 PolarHBondContact O-N 2.58Å; K143-G146 VanDerWaalsContact O-N 3.17Å; K143-E369 HydrophobicContact CD-CG 3.9Å; K143-E369 IonicContact NZ-OE1 2.84Å; K143-E369 PolarHBondContact NZ-OE1 3.2Å
144L64.3Low63.8Low58 Ų5854 Ų5430%0.30430%0.297SS..Hα-helixtrans-64.9-35.3179.4-141.5143.1000111.5Q140 L141 S180 F379Q140-L144 WeakPolarHBondContact O-CB 3.25Å; Q140-L144 PolarHBondContact O-N 2.64Å; Q140-L144 VanDerWaalsContact O-N 3.09Å; L141-L144 PolarHBondContact O-N 3.46Å; L144-S180 VanDerWaalsContact CD2-OG 3.29Å; L144-S180 WeakPolarHBondContact CD2-OG 3.49Å; L144-S180 PolarHBondContact O-OG 2.72Å; L144-S180 VanDerWaalsContact O-OG 3.11Å; L144-F379 HydrophobicContact CD1-CZ 4.48Å
145F70.4Confident63.3Low55 Ų5555.7 Ų55.724%0.24131%0.309CS..Hα-helixtrans-91-8.1173.4-65-63.6000114.2L141 D142 K143 V147 I165 L169 A172 H173 V177L141-F145 HydrophobicContact CB-CD2 4.4Å; L141-F145 HydrophobicContact CB-CE2 4.39Å; L141-F145 HydrophobicContact CD2-CE2 4.02Å; L141-F145 WeakPolarHBondContact O-CD2 3.11Å; L141-F145 PolarHBondContact O-N 2.74Å; D142-F145 PolarHBondContact O-N 3.41Å; K143-F145 VanDerWaalsContact C-N 3.27Å; K143-F145 PolarHBondContact O-N 2.81Å; F145-V147 HydrophobicContact CB-CG2 3.4Å; F145-I165 HydrophobicContact CD2-CG2 4.26Å; F145-I165 HydrophobicContact CE2-CG2 4.29Å; F145-L169 HydrophobicContact CD1-CD1 4.05Å; F145-L169 HydrophobicContact CD2-CD1 3.97Å; F145-L169 HydrophobicContact CE1-CD1 4.05Å; F145-L169 HydrophobicContact CE2-CD1 3.96Å; F145-L169 HydrophobicContact CG-CD1 4.04Å; F145-L169 HydrophobicContact CZ-CD1 4.02Å; F145-A172 HydrophobicContact CB-CB 4.18Å; F145-A172 CarbonylContact O-C 3.59Å; F145-A172 WeakPolarHBondContact O-CA 3.41Å; F145-H173 PolarHBondContact O-N 2.8Å; F145-V177 HydrophobicContact CB-CG2 4.46Å; F145-V177 HydrophobicContact CD1-CG2 3.83Å
146G66.9Low63.4Low31 Ų3154 Ų5432%0.3231%0.306SS..THydrogen-bonded Turntrans66.433.5-17900000113.8D142 K143D142-G146 PolarHBondContact O-N 2.66Å; K143-G146 PolarHBondContact O-N 2.58Å; K143-G146 VanDerWaalsContact O-N 3.17Å
147V74Confident63.9Low12 Ų1255.1 Ų55.17%0.07331%0.31CS..  trans-113.1132.4-176.6-118.10000110.8D142 F145 I149 E168 N171D142-V147 PolarHBondContact O-N 3.3Å; F145-V147 HydrophobicContact CB-CG2 3.4Å; V147-I149 PolarHBondContact O-N 3.36Å; V147-E168 HydrophobicContact CB-CB 4.35Å; V147-E168 HydrophobicContact CG1-CB 3.87Å; V147-E168 WeakPolarHBondContact CG1-O 3.4Å; V147-N171 HydrophobicContact CG1-CB 4.04Å
148K69.5Low64.1Low179 Ų17954.1 Ų54.178%0.77831%0.305SS*.  trans-82.2112175.3-77-175.4177.4177.40109.6
149I72.8Confident64.4Low27 Ų2758.4 Ų58.414%0.13833%0.33CS..  trans-108.6142.6-177.2-34.8-173.6000110.2D142 V147 R151 D164 I165D142-I149 HydrophobicContact CB-CD1 3.34Å; D142-I149 HydrophobicContact CB-CG1 3.55Å; V147-I149 PolarHBondContact O-N 3.36Å; I149-R151 PolarHBondContact O-N 2.83Å; I149-D164 HydrophobicContact CG2-CB 3.44Å; I149-D164 VanDerWaalsContact CG2-CB 3.44Å; I149-I165 HydrophobicContact CD1-CB 4.27Å; I149-I165 HydrophobicContact CD1-CD1 4.32Å; I149-I165 HydrophobicContact CD1-CG1 3.26Å
150S66.5Low65Low85 Ų8561.4 Ų61.459%0.59434%0.343SS*.  trans-61.4123.6175.2-60.20000110.4H152S150-H152 PolarHBondContact O-CD2 3.04Å; S150-H152 PolarHBondContact O-N 3.01Å
151R62.9Low65.4Low122 Ų12261.5 Ų61.546%0.4634%0.344SS..  trans-73.3103178.7-69.7-164-175.2-150.86.3110.6S47 F51 I149S47-R151 PolarHBondContact OG-NH1 2.7Å; F51-R151 VanDerWaalsContact CE2-CZ 3.45Å; I149-R151 PolarHBondContact O-N 2.83Å
152H62.2Low65.6Low59 Ų5961.7 Ų61.727%0.27335%0.347SS..  trans-79.8142.1175.6-73.2-64.2000113.2S150 K157 L160 D164S150-H152 PolarHBondContact O-CD2 3.04Å; S150-H152 PolarHBondContact O-N 3.01Å; H152-K157 WeakPolarHBondContact O-CD 3.45Å; H152-K157 WeakPolarHBondContact O-CE 3.31Å; H152-K157 WeakPolarHBondContact O-CG 3.41Å; H152-K157 PolarHBondContact O-NZ 2.9Å; H152-L160 HydrophobicContact CB-CB 4.34Å; H152-L160 HydrophobicContact CB-CD1 4.41Å; H152-D164 IonicContact CD2-OD2 2.81Å; H152-D164 PolarHBondContact CD2-OD2 2.87Å; H152-D164 IonicContact NE2-OD2 3.36Å; H152-D164 PolarHBondContact NE2-OD2 3.2Å
153S49.8Very low66.4Low105 Ų10563.1 Ų63.173%0.73436%0.357SS*.  trans-126.2130.4176.8-54.10000109.3
154G50.3Low67.1Low34 Ų3461.7 Ų61.735%0.35135%0.352SS..SBendtrans130.3174.7176.400000114.6K157G154-K157 VanDerWaalsContact O-CB 3.23Å; G154-K157 WeakPolarHBondContact O-CB 2.85Å; G154-K157 PolarHBondContact O-N 2.96Å; G154-K157 VanDerWaalsContact O-N 3.17Å
155P51.3Low67.8Low89 Ų8959.3 Ų59.358%0.57834%0.339SS*.THydrogen-bonded Turntrans-61.8135.317624.3-31.1000110.9
156G63.2Low68.4Low22 Ų2263.5 Ų63.523%0.22736%0.358CS..THydrogen-bonded Turntrans82.87.5-172.700000114.9L158 V159 L160G156-L158 VanDerWaalsContact C-N 3.25Å; G156-L158 PolarHBondContact O-N 2.97Å; G156-V159 WeakPolarHBondContact O-CB 3.21Å; G156-V159 PolarHBondContact O-N 3.38Å; G156-L160 PolarHBondContact O-N 3.2Å
157K64.4Low69.2Low42 Ų4270.3 Ų70.318%0.18337%0.374CS..Hα-helixtrans-48-44.2175.8169.1179.8-176.81660113.4H152 G154 V159 L160 I161H152-K157 WeakPolarHBondContact O-CD 3.45Å; H152-K157 WeakPolarHBondContact O-CE 3.31Å; H152-K157 WeakPolarHBondContact O-CG 3.41Å; H152-K157 PolarHBondContact O-NZ 2.9Å; G154-K157 VanDerWaalsContact O-CB 3.23Å; G154-K157 WeakPolarHBondContact O-CB 2.85Å; G154-K157 PolarHBondContact O-N 2.96Å; G154-K157 VanDerWaalsContact O-N 3.17Å; K157-V159 VanDerWaalsContact C-N 3.3Å; K157-V159 PolarHBondContact O-N 3.1Å; K157-L160 PolarHBondContact O-N 3.47Å; K157-I161 HydrophobicContact CD-CD1 4.2Å; K157-I161 VanDerWaalsContact CE-CD1 3.47Å; K157-I161 HydrophobicContact CG-CD1 3.64Å; K157-I161 HydrophobicContact CG-CG1 4.24Å; K157-I161 WeakPolarHBondContact O-CB 3.43Å; K157-I161 WeakPolarHBondContact O-CG1 3.18Å; K157-I161 PolarHBondContact O-N 3.49Å
158L66.5Low69.6Low43 Ų4373 Ų7323%0.22539%0.386CS..Hα-helixtrans-59.8-45.4-179.6-167.886.7000110.7V134 H135 S138 G156 I161 V162V134-L158 HydrophobicContact CG1-CD1 4.24Å; V134-L158 HydrophobicContact CG1-CD2 3.99Å; H135-L158 WeakPolarHBondContact ND1-CD1 3.43Å; S138-L158 VanDerWaalsContact OG-CD1 3.26Å; S138-L158 WeakPolarHBondContact OG-CD1 3.2Å; G156-L158 VanDerWaalsContact C-N 3.25Å; G156-L158 PolarHBondContact O-N 2.97Å; L158-I161 PolarHBondContact O-N 3.34Å; L158-V162 WeakPolarHBondContact O-CB 3.24Å; L158-V162 VanDerWaalsContact O-CG2 3.22Å; L158-V162 WeakPolarHBondContact O-CG2 3.48Å; L158-V162 PolarHBondContact O-N 3.33Å
159V73.3Confident70.1Confident95 Ų9567.8 Ų67.858%0.57637%0.366SS*.Hα-helixtrans-64.7-43.7179.7-177.20000110.3G156 K157 V162 V163G156-V159 WeakPolarHBondContact O-CB 3.21Å; G156-V159 PolarHBondContact O-N 3.38Å; K157-V159 VanDerWaalsContact C-N 3.3Å; K157-V159 PolarHBondContact O-N 3.1Å; V159-V162 PolarHBondContact O-N 2.93Å; V159-V163 HydrophobicContact CG1-CG2 4.42Å; V159-V163 WeakPolarHBondContact O-CB 3.03Å; V159-V163 WeakPolarHBondContact O-CG2 3.25Å; V159-V163 PolarHBondContact O-N 3.04Å
160L74Confident70.5Confident81 Ų8175.3 Ų75.342%0.42440%0.398SS..Hα-helixtrans-62-49.4176.8-70.5166.9000112H152 G156 K157 V162 V163 D164H152-L160 HydrophobicContact CB-CB 4.34Å; H152-L160 HydrophobicContact CB-CD1 4.41Å; G156-L160 PolarHBondContact O-N 3.2Å; K157-L160 PolarHBondContact O-N 3.47Å; L160-V162 VanDerWaalsContact C-N 3.31Å; L160-V162 PolarHBondContact O-N 2.93Å; L160-V163 WeakPolarHBondContact O-CB 3.5Å; L160-V163 PolarHBondContact O-N 3.21Å; L160-V163 VanDerWaalsContact O-N 3.13Å; L160-D164 PolarHBondContact O-N 3.33Å
161I71.8Confident71.2Confident19 Ų1976.3 Ų76.310%0.09740%0.396CS..Hα-helixtrans-57.4-45.4176.6-72.1173.4000110.7K157 L158 V163 D164 I165K157-I161 HydrophobicContact CD-CD1 4.2Å; K157-I161 VanDerWaalsContact CE-CD1 3.47Å; K157-I161 HydrophobicContact CG-CD1 3.64Å; K157-I161 HydrophobicContact CG-CG1 4.24Å; K157-I161 WeakPolarHBondContact O-CB 3.43Å; K157-I161 WeakPolarHBondContact O-CG1 3.18Å; K157-I161 PolarHBondContact O-N 3.49Å; L158-I161 PolarHBondContact O-N 3.34Å; I161-V163 PolarHBondContact O-N 3.18Å; I161-D164 PolarHBondContact O-N 3.35Å; I161-I165 HydrophobicContact CG2-CD1 3.72Å; I161-I165 HydrophobicContact CG2-CG1 4.33Å; I161-I165 WeakPolarHBondContact O-CB 3.43Å; I161-I165 WeakPolarHBondContact O-CG1 3.18Å; I161-I165 PolarHBondContact O-N 3.3Å
162V73.6Confident71.7Confident50 Ų5072 Ų7230%0.30339%0.387SS..Hα-helixtrans-63.3-42.7178.1170.70000111L158 V159 L160 D164 I165 F166L158-V162 WeakPolarHBondContact O-CB 3.24Å; L158-V162 VanDerWaalsContact O-CG2 3.22Å; L158-V162 WeakPolarHBondContact O-CG2 3.48Å; L158-V162 PolarHBondContact O-N 3.33Å; V159-V162 PolarHBondContact O-N 2.93Å; L160-V162 VanDerWaalsContact C-N 3.31Å; L160-V162 PolarHBondContact O-N 2.93Å; V162-D164 VanDerWaalsContact C-N 3.34Å; V162-D164 PolarHBondContact O-N 3.09Å; V162-I165 PolarHBondContact O-N 3.23Å; V162-F166 HydrophobicContact CG1-CD2 3.73Å; V162-F166 HydrophobicContact CG1-CE2 3.55Å; V162-F166 WeakPolarHBondContact O-CD2 2.95Å; V162-F166 PolarHBondContact O-N 3.12Å
163V81.6Confident72.2Confident64 Ų6472.6 Ų72.639%0.38839%0.39SS..Hα-helixtrans-61.6-41.9175.7168.10000111.4V159 L160 I161 F166 R167V159-V163 HydrophobicContact CG1-CG2 4.42Å; V159-V163 WeakPolarHBondContact O-CB 3.03Å; V159-V163 WeakPolarHBondContact O-CG2 3.25Å; V159-V163 PolarHBondContact O-N 3.04Å; L160-V163 WeakPolarHBondContact O-CB 3.5Å; L160-V163 PolarHBondContact O-N 3.21Å; L160-V163 VanDerWaalsContact O-N 3.13Å; I161-V163 PolarHBondContact O-N 3.18Å; V163-F166 PolarHBondContact O-N 3.36Å; V163-R167 PolarHBondContact O-N 2.99Å
164D80.5Confident73.5Confident23 Ų2373.3 Ų73.312%0.12338%0.384CS..Hα-helixtrans-71.9-36.4178.6-66.2-35.2000112.3I149 H152 L160 I161 V162 F166 R167 E168I149-D164 HydrophobicContact CG2-CB 3.44Å; I149-D164 VanDerWaalsContact CG2-CB 3.44Å; H152-D164 IonicContact CD2-OD2 2.81Å; H152-D164 PolarHBondContact CD2-OD2 2.87Å; H152-D164 IonicContact NE2-OD2 3.36Å; H152-D164 PolarHBondContact NE2-OD2 3.2Å; L160-D164 PolarHBondContact O-N 3.33Å; I161-D164 PolarHBondContact O-N 3.35Å; V162-D164 VanDerWaalsContact C-N 3.34Å; V162-D164 PolarHBondContact O-N 3.09Å; D164-F166 VanDerWaalsContact C-N 3.28Å; D164-F166 PolarHBondContact O-N 2.96Å; D164-R167 PolarHBondContact O-N 2.71Å; D164-R167 VanDerWaalsContact O-N 3.14Å; D164-E168 WeakPolarHBondContact O-CB 3.4Å; D164-E168 PolarHBondContact O-N 3.28Å
165I77.9Confident74.5Confident8 Ų874 Ų744%0.04138%0.383CS..Hα-helixtrans-55.7-47.4168.7-70.9161.6000109.5L141 F145 I149 I161 V162 R167 L169L141-I165 HydrophobicContact CB-CD1 3.6Å; L141-I165 HydrophobicContact CB-CG1 4.42Å; L141-I165 HydrophobicContact CD1-CD1 3.87Å; L141-I165 HydrophobicContact CG-CD1 4.38Å; F145-I165 HydrophobicContact CD2-CG2 4.26Å; F145-I165 HydrophobicContact CE2-CG2 4.29Å; I149-I165 HydrophobicContact CD1-CB 4.27Å; I149-I165 HydrophobicContact CD1-CD1 4.32Å; I149-I165 HydrophobicContact CD1-CG1 3.26Å; I161-I165 HydrophobicContact CG2-CD1 3.72Å; I161-I165 HydrophobicContact CG2-CG1 4.33Å; I161-I165 WeakPolarHBondContact O-CB 3.43Å; I161-I165 WeakPolarHBondContact O-CG1 3.18Å; I161-I165 PolarHBondContact O-N 3.3Å; V162-I165 PolarHBondContact O-N 3.23Å; I165-R167 VanDerWaalsContact C-N 3.32Å; I165-R167 PolarHBondContact O-N 2.96Å; I165-L169 HydrophobicContact CG2-CD1 4.3Å; I165-L169 WeakPolarHBondContact O-CA 3.36Å; I165-L169 VanDerWaalsContact O-CB 3.31Å; I165-L169 WeakPolarHBondContact O-CB 3.29Å; I165-L169 PolarHBondContact O-N 2.89Å
166F82.9Confident75.1Confident143 Ų14370.1 Ų70.163%0.62736%0.358SS*.Hα-helixtrans-67-30.4178.2-80.7-65.2000113.3V162 V163 D164V162-F166 HydrophobicContact CG1-CD2 3.73Å; V162-F166 HydrophobicContact CG1-CE2 3.55Å; V162-F166 WeakPolarHBondContact O-CD2 2.95Å; V162-F166 PolarHBondContact O-N 3.12Å; V163-F166 PolarHBondContact O-N 3.36Å; D164-F166 VanDerWaalsContact C-N 3.28Å; D164-F166 PolarHBondContact O-N 2.96Å
167R84Confident75.5Confident174 Ų17470.7 Ų70.766%0.65736%0.357SS*.Hα-helixtrans-72.4-48.8174.9-83.3179.7167.7179.3-4.2112.3V163 D164 I165 L169V163-R167 PolarHBondContact O-N 2.99Å; D164-R167 PolarHBondContact O-N 2.71Å; D164-R167 VanDerWaalsContact O-N 3.14Å; I165-R167 VanDerWaalsContact C-N 3.32Å; I165-R167 PolarHBondContact O-N 2.96Å; R167-L169 VanDerWaalsContact C-N 3.27Å; R167-L169 PolarHBondContact O-N 3.25Å
168E82.1Confident76Confident69 Ų6973.7 Ų73.732%0.32237%0.374SS..Hα-helixtrans-80.1-7.6-178.2-69.6-59.4145.300112.6V147 D164 K170 N171V147-E168 HydrophobicContact CB-CB 4.35Å; V147-E168 HydrophobicContact CG1-CB 3.87Å; V147-E168 WeakPolarHBondContact CG1-O 3.4Å; D164-E168 WeakPolarHBondContact O-CB 3.4Å; D164-E168 PolarHBondContact O-N 3.28Å; E168-K170 PolarHBondContact O-N 3.02Å; E168-N171 WeakPolarHBondContact O-CA 3.41Å; E168-N171 WeakPolarHBondContact O-CB 3.49Å; E168-N171 PolarHBondContact O-N 3.38Å; E168-N171 PolarHBondContact OE2-ND2 3.46Å
169L80.5Confident75.9Confident69 Ų6974 Ų7436%0.36138%0.375SS..G310 helixtrans-53.7-26.7177.2-151.874.3000113F145 I165 R167 N171 A172F145-L169 HydrophobicContact CD1-CD1 4.05Å; F145-L169 HydrophobicContact CD2-CD1 3.97Å; F145-L169 HydrophobicContact CE1-CD1 4.05Å; F145-L169 HydrophobicContact CE2-CD1 3.96Å; F145-L169 HydrophobicContact CG-CD1 4.04Å; F145-L169 HydrophobicContact CZ-CD1 4.02Å; I165-L169 HydrophobicContact CG2-CD1 4.3Å; I165-L169 WeakPolarHBondContact O-CA 3.36Å; I165-L169 VanDerWaalsContact O-CB 3.31Å; I165-L169 WeakPolarHBondContact O-CB 3.29Å; I165-L169 PolarHBondContact O-N 2.89Å; R167-L169 VanDerWaalsContact C-N 3.27Å; R167-L169 PolarHBondContact O-N 3.25Å; L169-N171 VanDerWaalsContact C-N 3.26Å; L169-N171 PolarHBondContact O-N 3.48Å; L169-A172 VanDerWaalsContact O-CB 3.25Å; L169-A172 WeakPolarHBondContact O-CB 3.25Å; L169-A172 PolarHBondContact O-N 2.86Å
170K81.9Confident75.4Confident186 Ų18669.8 Ų69.881%0.80935%0.35SS*.G310 helixtrans-67.2-27.7175.9-52.7-177.3-174.5-177.80112.8E168E168-K170 PolarHBondContact O-N 3.02Å
171N81.2Confident75.3Confident105 Ų10570.6 Ų70.656%0.56135%0.354SS*.G310 helixtrans-97.512.7179.2-62.4-28.7000112.1V147 E168 L169 H173V147-N171 HydrophobicContact CG1-CB 4.04Å; E168-N171 WeakPolarHBondContact O-CA 3.41Å; E168-N171 WeakPolarHBondContact O-CB 3.49Å; E168-N171 PolarHBondContact O-N 3.38Å; E168-N171 PolarHBondContact OE2-ND2 3.46Å; L169-N171 VanDerWaalsContact C-N 3.26Å; L169-N171 PolarHBondContact O-N 3.48Å; N171-H173 PolarHBondContact O-N 3.28Å
172A73.4Confident75Confident32 Ų3272.5 Ų72.526%0.26437%0.373SS..  trans-60.6134.6-178.900000111.8F145 L169 L174 V177F145-A172 HydrophobicContact CB-CB 4.18Å; F145-A172 CarbonylContact O-C 3.59Å; F145-A172 WeakPolarHBondContact O-CA 3.41Å; L169-A172 VanDerWaalsContact O-CB 3.25Å; L169-A172 WeakPolarHBondContact O-CB 3.25Å; L169-A172 PolarHBondContact O-N 2.86Å; A172-L174 PolarHBondContact O-N 3.32Å; A172-L174 VanDerWaalsContact O-N 3.11Å; A172-V177 HydrophobicContact CB-CG2 4.43Å
173H72.4Confident74.4Confident71 Ų7170.6 Ų70.633%0.32936%0.362SS..  trans-79.198.8-178.3-138.6-80.4000109.3F145 N171 P175 S176 V177 Y241F145-H173 PolarHBondContact O-N 2.8Å; N171-H173 PolarHBondContact O-N 3.28Å; H173-P175 VanDerWaalsContact C-CD 3.46Å; H173-S176 WeakPolarHBondContact O-CA 3.43Å; H173-S176 WeakPolarHBondContact O-CB 3.45Å; H173-S176 PolarHBondContact O-N 2.86Å; H173-V177 PolarHBondContact O-N 3.43Å; H173-V177 VanDerWaalsContact O-N 3.11Å; H173-Y241 PolarHBondContact CE1-O 3.47Å
174L77.1Confident73.5Confident120 Ų12071.3 Ų71.363%0.62836%0.36SS*.Hα-helixtrans-53.1-41.5-171.8-172.667.8000114.6A172 S176 V177 L178A172-L174 PolarHBondContact O-N 3.32Å; A172-L174 VanDerWaalsContact O-N 3.11Å; L174-S176 VanDerWaalsContact C-N 3.31Å; L174-S176 PolarHBondContact O-N 2.65Å; L174-V177 PolarHBondContact O-N 2.89Å; L174-L178 HydrophobicContact CG-CD1 4.21Å; L174-L178 PolarHBondContact O-N 3.38Å
175P70.9Confident72.8Confident50 Ų5075.2 Ų75.233%0.32538%0.38SS..Hα-helixtrans-60-40.7174.5-23.233.9000112.6H173 V177 L178 M179H173-P175 VanDerWaalsContact C-CD 3.46Å; P175-V177 VanDerWaalsContact C-N 3.34Å; P175-V177 PolarHBondContact O-N 3.09Å; P175-L178 PolarHBondContact O-N 3.2Å; P175-M179 WeakPolarHBondContact O-CB 3.37Å; P175-M179 WeakPolarHBondContact O-CG 3.29Å; P175-M179 PolarHBondContact O-N 3.02Å
176S64.8Low72Confident6 Ų678.7 Ų78.74%0.04240%0.398CS..Hα-helixtrans-65.8-39179.8-49.40000111.3H173 L174 S180 M243H173-S176 WeakPolarHBondContact O-CA 3.43Å; H173-S176 WeakPolarHBondContact O-CB 3.45Å; H173-S176 PolarHBondContact O-N 2.86Å; L174-S176 VanDerWaalsContact C-N 3.31Å; L174-S176 PolarHBondContact O-N 2.65Å; S176-S180 WeakPolarHBondContact O-CB 3.35Å; S176-S180 PolarHBondContact O-N 3.42Å; S176-S180 PolarHBondContact O-OG 2.64Å; S176-M243 PolarHBondContact OG-SD 2.65Å
177V71.7Confident70.6Confident34 Ų3472.4 Ų72.421%0.20637%0.371CS..Hα-helixtrans-65.9-46.2174.9177.30000112.1F145 A172 H173 L174 P175 M179 S180 L181F145-V177 HydrophobicContact CB-CG2 4.46Å; F145-V177 HydrophobicContact CD1-CG2 3.83Å; A172-V177 HydrophobicContact CB-CG2 4.43Å; H173-V177 PolarHBondContact O-N 3.43Å; H173-V177 VanDerWaalsContact O-N 3.11Å; L174-V177 PolarHBondContact O-N 2.89Å; P175-V177 VanDerWaalsContact C-N 3.34Å; P175-V177 PolarHBondContact O-N 3.09Å; V177-M179 VanDerWaalsContact C-N 3.33Å; V177-M179 PolarHBondContact O-N 3.44Å; V177-S180 WeakPolarHBondContact CA-OG 3.28Å; V177-S180 PolarHBondContact O-N 3.22Å; V177-S180 PolarHBondContact O-OG 3.46Å; V177-L181 VanDerWaalsContact O-CB 3.3Å; V177-L181 WeakPolarHBondContact O-CB 3.09Å; V177-L181 PolarHBondContact O-N 3.01Å
178L73.4Confident69.4Low105 Ų10565.9 Ų65.955%0.5535%0.352SS..Hα-helixtrans-64.1-41.3179.1-78.6167.7000111.4L174 P175 A182L174-L178 HydrophobicContact CG-CD1 4.21Å; L174-L178 PolarHBondContact O-N 3.38Å; P175-L178 PolarHBondContact O-N 3.2Å; L178-A182 WeakPolarHBondContact O-CB 3.45Å; L178-A182 PolarHBondContact O-N 3.05Å
179M65.7Low68.6Low50 Ų5067.9 Ų67.925%0.24636%0.359CS..Hα-helixtrans-66.8-40.2176.9-67.5-64.9-73.500111.7P175 V177 A183 V366 W367P175-M179 WeakPolarHBondContact O-CB 3.37Å; P175-M179 WeakPolarHBondContact O-CG 3.29Å; P175-M179 PolarHBondContact O-N 3.02Å; V177-M179 VanDerWaalsContact C-N 3.33Å; V177-M179 PolarHBondContact O-N 3.44Å; M179-A183 VanDerWaalsContact O-CB 3.27Å; M179-A183 WeakPolarHBondContact O-CB 3.44Å; M179-A183 PolarHBondContact O-N 3.06Å; M179-A183 VanDerWaalsContact O-N 3.08Å; M179-V366 HydrophobicContact CB-CG1 4.29Å; M179-W367 HydrophobicContact CE-CZ2 3.41Å; M179-W367 VanDerWaalsContact CE-CZ2 3.41Å
180S62.8Low67.4Low7 Ų766.2 Ų66.25%0.04935%0.351CS..Hα-helixtrans-67.3-39.717668.30000113L144 S176 V177 F184 I370L144-S180 VanDerWaalsContact CD2-OG 3.29Å; L144-S180 WeakPolarHBondContact CD2-OG 3.49Å; L144-S180 PolarHBondContact O-OG 2.72Å; L144-S180 VanDerWaalsContact O-OG 3.11Å; S176-S180 WeakPolarHBondContact O-CB 3.35Å; S176-S180 PolarHBondContact O-N 3.42Å; S176-S180 PolarHBondContact O-OG 2.64Å; V177-S180 WeakPolarHBondContact CA-OG 3.28Å; V177-S180 PolarHBondContact O-N 3.22Å; V177-S180 PolarHBondContact O-OG 3.46Å; S180-F184 VanDerWaalsContact O-CB 3.3Å; S180-F184 WeakPolarHBondContact O-CB 3.44Å; S180-F184 PolarHBondContact O-N 3.08Å; S180-I370 VanDerWaalsContact CA-CD1 3.46Å
181L70.2Confident66Low98 Ų9860.8 Ų60.851%0.51333%0.327SS..Hα-helixtrans-68.6-48.2176.1-164.478.6000112.3V177 A183 F184 I185V177-L181 VanDerWaalsContact O-CB 3.3Å; V177-L181 WeakPolarHBondContact O-CB 3.09Å; V177-L181 PolarHBondContact O-N 3.01Å; L181-A183 PolarHBondContact O-N 2.9Å; L181-F184 PolarHBondContact O-N 3.43Å; L181-I185 HydrophobicContact CG-CD1 4.25Å; L181-I185 WeakPolarHBondContact O-CG1 3.12Å; L181-I185 PolarHBondContact O-N 3.34Å
182A66.7Low65Low58 Ų5861.9 Ų61.948%0.47933%0.329SS..Hα-helixtrans-58.2-41.9178.900000110.9L178 I185 L186L178-A182 WeakPolarHBondContact O-CB 3.45Å; L178-A182 PolarHBondContact O-N 3.05Å; A182-I185 PolarHBondContact O-N 3.02Å; A182-L186 WeakPolarHBondContact O-CB 3Å; A182-L186 PolarHBondContact O-N 3.42Å
183A60.3Low64.5Low10 Ų1064 Ų648%0.08334%0.339CS..Hα-helixtrans-73.9-36.9178.500000113M179 L181 I185 L186 L187 I370M179-A183 VanDerWaalsContact O-CB 3.27Å; M179-A183 WeakPolarHBondContact O-CB 3.44Å; M179-A183 PolarHBondContact O-N 3.06Å; M179-A183 VanDerWaalsContact O-N 3.08Å; L181-A183 PolarHBondContact O-N 2.9Å; A183-I185 VanDerWaalsContact C-N 3.3Å; A183-I185 PolarHBondContact O-N 3.39Å; A183-L186 PolarHBondContact O-N 2.67Å; A183-L187 WeakPolarHBondContact O-CB 3.25Å; A183-L187 VanDerWaalsContact O-CD1 3.31Å; A183-L187 WeakPolarHBondContact O-CD1 2.94Å; A183-L187 WeakPolarHBondContact O-CG 3.34Å; A183-L187 PolarHBondContact O-N 3.46Å; A183-I370 HydrophobicContact CB-CB 4.21Å; A183-I370 HydrophobicContact CB-CD1 3.88Å; A183-I370 HydrophobicContact CB-CG1 4.17Å; A183-I370 HydrophobicContact CB-CG2 3.05Å
184F63.6Low64Low80 Ų8063.5 Ų63.535%0.35134%0.338SS..Hα-helixtrans-59.3-39.1172.3-175.4-94.1000112.3S180 L181 L187 C188 F379S180-F184 VanDerWaalsContact O-CB 3.3Å; S180-F184 WeakPolarHBondContact O-CB 3.44Å; S180-F184 PolarHBondContact O-N 3.08Å; L181-F184 PolarHBondContact O-N 3.43Å; F184-L187 WeakPolarHBondContact O-CB 3.14Å; F184-L187 PolarHBondContact O-N 3.28Å; F184-C188 PolarHBondContact O-N 3.47Å; F184-C188 PolarHBondContact O-SG 3.37Å; F184-F379 HydrophobicContact CE2-CD1 4.02Å; F184-F379 HydrophobicContact CE2-CE1 4.07Å
185I64.7Low63.1Low105 Ų10559.7 Ų59.754%0.53832%0.318SS..Hα-helixtrans-66.5-48.3175.3-68166.7000110.6L181 A182 A183 L187 C188 F189L181-I185 HydrophobicContact CG-CD1 4.25Å; L181-I185 WeakPolarHBondContact O-CG1 3.12Å; L181-I185 PolarHBondContact O-N 3.34Å; A182-I185 PolarHBondContact O-N 3.02Å; A183-I185 VanDerWaalsContact C-N 3.3Å; A183-I185 PolarHBondContact O-N 3.39Å; I185-L187 PolarHBondContact O-N 3.34Å; I185-C188 PolarHBondContact O-N 2.92Å; I185-F189 WeakPolarHBondContact O-CB 2.81Å; I185-F189 PolarHBondContact O-N 2.97Å
186L61.7Low62.5Low80 Ų8060.2 Ų60.242%0.41932%0.321SS..Hα-helixtrans-57.9-41.1177.4-176.768.2000111.5A182 A183 F189 I190 L225A182-L186 WeakPolarHBondContact O-CB 3Å; A182-L186 PolarHBondContact O-N 3.42Å; A183-L186 PolarHBondContact O-N 2.67Å; L186-F189 PolarHBondContact O-N 2.93Å; L186-I190 HydrophobicContact CD1-CD1 4.21Å; L186-I190 HydrophobicContact CG-CD1 4.03Å; L186-I190 WeakPolarHBondContact O-CG1 3.02Å; L186-I190 PolarHBondContact O-N 2.93Å; L186-L225 HydrophobicContact CD2-CD1 4.39Å
187L53.8Low62.4Low11 Ų1166.5 Ų66.56%0.05835%0.345CS..Hα-helixtrans-56.2-57.7174.2-98.1154000113.1A183 F184 I185 F189 I190 K191 I370 S373 F374A183-L187 WeakPolarHBondContact O-CB 3.25Å; A183-L187 VanDerWaalsContact O-CD1 3.31Å; A183-L187 WeakPolarHBondContact O-CD1 2.94Å; A183-L187 WeakPolarHBondContact O-CG 3.34Å; A183-L187 PolarHBondContact O-N 3.46Å; F184-L187 WeakPolarHBondContact O-CB 3.14Å; F184-L187 PolarHBondContact O-N 3.28Å; I185-L187 PolarHBondContact O-N 3.34Å; L187-F189 VanDerWaalsContact C-N 3.28Å; L187-F189 PolarHBondContact O-N 2.68Å; L187-I190 PolarHBondContact O-N 2.93Å; L187-K191 WeakPolarHBondContact O-CB 3.39Å; L187-K191 PolarHBondContact O-N 3.28Å; L187-I370 HydrophobicContact CD1-CG2 4.26Å; L187-S373 VanDerWaalsContact CD2-C 3.42Å; L187-S373 VanDerWaalsContact CD2-O 3.27Å; L187-S373 WeakPolarHBondContact CD2-O 3.34Å; L187-F374 HydrophobicContact CD2-CB 3.58Å; L187-F374 HydrophobicContact CD2-CD2 3.4Å; L187-F374 VanDerWaalsContact CD2-CD2 3.4Å; L187-F374 HydrophobicContact CD2-CG 3.95Å; L187-F374 HydrophobicContact CG-CB 4.25Å; L187-F374 HydrophobicContact CG-CD2 3.76Å; L187-F374 HydrophobicContact CG-CG 4.49Å
188C58.2Low61.7Low37 Ų3767.3 Ų67.325%0.2535%0.352CS..Hα-helixtrans-59.5-42.3178.7-75.60000110.7F184 I185 I190 K191 E192F184-C188 PolarHBondContact O-N 3.47Å; F184-C188 PolarHBondContact O-SG 3.37Å; I185-C188 PolarHBondContact O-N 2.92Å; C188-I190 PolarHBondContact O-N 3.47Å; C188-K191 PolarHBondContact O-N 2.98Å; C188-E192 VanDerWaalsContact O-CB 3.3Å; C188-E192 WeakPolarHBondContact O-CB 3.42Å; C188-E192 PolarHBondContact O-N 3.38Å
189F64.9Low60.9Low111 Ų11164.6 Ų64.649%0.48735%0.345SS..Iπ-helixtrans-60.1-47177.3-178.8-99.5000112.5I185 L186 L187 K191 V193 L194I185-F189 WeakPolarHBondContact O-CB 2.81Å; I185-F189 PolarHBondContact O-N 2.97Å; L186-F189 PolarHBondContact O-N 2.93Å; L187-F189 VanDerWaalsContact C-N 3.28Å; L187-F189 PolarHBondContact O-N 2.68Å; F189-K191 PolarHBondContact O-N 3.06Å; F189-V193 HydrophobicContact CD2-CB 4.17Å; F189-V193 HydrophobicContact CD2-CG2 4.15Å; F189-V193 HydrophobicContact CE2-CB 4.22Å; F189-V193 HydrophobicContact CE2-CG1 4.14Å; F189-V193 HydrophobicContact CE2-CG2 4.48Å; F189-V193 WeakPolarHBondContact O-CA 3.22Å; F189-V193 VanDerWaalsContact O-CB 3.26Å; F189-V193 WeakPolarHBondContact O-CB 3.45Å; F189-V193 PolarHBondContact O-N 3.42Å; F189-L194 PolarHBondContact O-N 3.29Å
190I54.9Low60.7Low35 Ų3571.1 Ų71.118%0.17937%0.371CS..Iπ-helixtrans-65.1-42.9-179.9-70.6169.3000111L186 L187 C188 L194 N195 F374L186-I190 HydrophobicContact CD1-CD1 4.21Å; L186-I190 HydrophobicContact CG-CD1 4.03Å; L186-I190 WeakPolarHBondContact O-CG1 3.02Å; L186-I190 PolarHBondContact O-N 2.93Å; L187-I190 PolarHBondContact O-N 2.93Å; C188-I190 PolarHBondContact O-N 3.47Å; I190-L194 HydrophobicContact CG1-CD2 4.36Å; I190-L194 HydrophobicContact CG2-CD2 4.48Å; I190-L194 WeakPolarHBondContact O-CB 3.48Å; I190-L194 PolarHBondContact O-N 3.04Å; I190-N195 PolarHBondContact O-N 3.49Å; I190-F374 HydrophobicContact CB-CE2 3.9Å; I190-F374 HydrophobicContact CB-CZ 4.38Å; I190-F374 HydrophobicContact CD1-CE2 3.52Å; I190-F374 HydrophobicContact CD1-CZ 3.65Å; I190-F374 HydrophobicContact CG1-CE2 4.28Å; I190-F374 HydrophobicContact CG2-CE2 3.78Å; I190-F374 HydrophobicContact CG2-CZ 3.86Å
191K54Low60.5Low72 Ų7279.1 Ų79.131%0.31340%0.401SS..Iπ-helixtrans-81-42.2-172.3-165.9171.7172.4-173.30113.8L187 C188 F189 P196 L380L187-K191 WeakPolarHBondContact O-CB 3.39Å; L187-K191 PolarHBondContact O-N 3.28Å; C188-K191 PolarHBondContact O-N 2.98Å; F189-K191 PolarHBondContact O-N 3.06Å; K191-P196 WeakPolarHBondContact O-CD 3.24Å; K191-L380 HydrophobicContact CD-CB 4.5Å; K191-L380 HydrophobicContact CD-CD2 4.07Å
192E60Low59.8Low127 Ų12782.7 Ų82.759%0.59341%0.413SS*.Iπ-helixtrans-88-30.5-177.4-68.1-11015800113C188 P196C188-E192 VanDerWaalsContact O-CB 3.3Å; C188-E192 WeakPolarHBondContact O-CB 3.42Å; C188-E192 PolarHBondContact O-N 3.38Å; E192-P196 WeakPolarHBondContact O-CG 3.3Å
193V63Low58.7Low78 Ų7882.6 Ų82.647%0.47340%0.403SS..Iπ-helixtrans-106.4-58.8-176.1-172.30000111.2F189 Y197F189-V193 HydrophobicContact CD2-CB 4.17Å; F189-V193 HydrophobicContact CD2-CG2 4.15Å; F189-V193 HydrophobicContact CE2-CB 4.22Å; F189-V193 HydrophobicContact CE2-CG1 4.14Å; F189-V193 HydrophobicContact CE2-CG2 4.48Å; F189-V193 WeakPolarHBondContact O-CA 3.22Å; F189-V193 VanDerWaalsContact O-CB 3.26Å; F189-V193 WeakPolarHBondContact O-CB 3.45Å; F189-V193 PolarHBondContact O-N 3.42Å; V193-Y197 WeakPolarHBondContact O-CB 3.49Å; V193-Y197 PolarHBondContact O-N 3.44Å
194L62Low57.7Low59 Ų5992.3 Ų92.331%0.30944%0.443SS..Iπ-helixtrans-68.6-45.9-170.1-164.972.5000112.7F189 I190 Y197 C198F189-L194 PolarHBondContact O-N 3.29Å; I190-L194 HydrophobicContact CG1-CD2 4.36Å; I190-L194 HydrophobicContact CG2-CD2 4.48Å; I190-L194 WeakPolarHBondContact O-CB 3.48Å; I190-L194 PolarHBondContact O-N 3.04Å; L194-Y197 PolarHBondContact O-N 3.34Å; L194-C198 WeakPolarHBondContact O-CB 3.49Å; L194-C198 PolarHBondContact O-N 2.9Å; L194-C198 PolarHBondContact O-SG 2.87Å
195N56.8Low56.7Low41 Ų4192.3 Ų92.322%0.21947%0.466CS..Hα-helixtrans-56.8-58.2180-102.419000113.4I190 Y197 C198 A199 L214I190-N195 PolarHBondContact O-N 3.49Å; N195-Y197 VanDerWaalsContact C-N 3.26Å; N195-Y197 PolarHBondContact O-N 3.27Å; N195-C198 PolarHBondContact O-N 3.42Å; N195-A199 VanDerWaalsContact O-CB 3.31Å; N195-A199 WeakPolarHBondContact O-CB 3.46Å; N195-A199 PolarHBondContact O-N 2.84Å; N195-L214 WeakPolarHBondContact OD1-CD1 3.09Å; N195-L214 WeakPolarHBondContact OD1-CD2 3.21Å
196P58.4Low55.4Low60 Ų6093 Ų9339%0.3947%0.469SS..Hα-helixtrans-66.8-28.3-179.922.4-29.7000112.5K191 E192 K200K191-P196 WeakPolarHBondContact O-CD 3.24Å; E192-P196 WeakPolarHBondContact O-CG 3.3Å; P196-K200 WeakPolarHBondContact O-CB 3.36Å; P196-K200 PolarHBondContact O-N 2.91Å; P196-K200 VanDerWaalsContact O-N 3.08Å
197Y63.7Low54.4Low138 Ų13895.6 Ų95.654%0.54149%0.491SS..Hα-helixtrans-69.2-45.5175.7-164.4-95000112.4V193 L194 N195 R201V193-Y197 WeakPolarHBondContact O-CB 3.49Å; V193-Y197 PolarHBondContact O-N 3.44Å; L194-Y197 PolarHBondContact O-N 3.34Å; N195-Y197 VanDerWaalsContact C-N 3.26Å; N195-Y197 PolarHBondContact O-N 3.27Å; Y197-R201 WeakPolarHBondContact O-CB 3.42Å; Y197-R201 PolarHBondContact O-N 3.3Å; Y197-R201 PolarHBondContact OH-NH1 3.42Å
198C57.6Low53.6Low52 Ų5298.5 Ų98.535%0.35151%0.506SS..Hα-helixtrans-66.6-42175.2-74.70000112.1L194 N195 K200 R201 F202L194-C198 WeakPolarHBondContact O-CB 3.49Å; L194-C198 PolarHBondContact O-N 2.9Å; L194-C198 PolarHBondContact O-SG 2.87Å; N195-C198 PolarHBondContact O-N 3.42Å; C198-K200 VanDerWaalsContact C-N 3.34Å; C198-K200 PolarHBondContact O-N 3.03Å; C198-R201 PolarHBondContact O-N 2.68Å; C198-F202 PolarHBondContact O-N 2.91Å; C198-F202 VanDerWaalsContact O-N 3.08Å
199A55.9Low52.7Low48 Ų4898.4 Ų98.440%0.39751%0.505SS..Hα-helixtrans-61.6-39.9177.600000112.2N195N195-A199 VanDerWaalsContact O-CB 3.31Å; N195-A199 WeakPolarHBondContact O-CB 3.46Å; N195-A199 PolarHBondContact O-N 2.84Å
200K61.1Low51.4Low186 Ų18694.7 Ų94.781%0.80950%0.497SS*.Hα-helixtrans-72.4-30.4177-89.4179.4173.9176.40114.2P196 C198P196-K200 WeakPolarHBondContact O-CB 3.36Å; P196-K200 PolarHBondContact O-N 2.91Å; P196-K200 VanDerWaalsContact O-N 3.08Å; C198-K200 VanDerWaalsContact C-N 3.34Å; C198-K200 PolarHBondContact O-N 3.03Å
201R58.8Low50.7Low175 Ų17595.4 Ų95.466%0.6650%0.501SS*.Hα-helixtrans-95.7-28.5-169.8-161.6158.1-175.1152.1-0.6114.5Y197 C198Y197-R201 WeakPolarHBondContact O-CB 3.42Å; Y197-R201 PolarHBondContact O-N 3.3Å; Y197-R201 PolarHBondContact OH-NH1 3.42Å; C198-R201 PolarHBondContact O-N 2.68Å
202F54.7Low49.8Very low174 Ų17496.1 Ų96.176%0.76351%0.507SS*.Hα-helixtrans-110.2-6.3-175.4-76.4-81.6000115.3C198C198-F202 PolarHBondContact O-N 2.91Å; C198-F202 VanDerWaalsContact O-N 3.08Å
203M44.8Very low48.8Very low56 Ų5693.1 Ų93.128%0.27650%0.495SS..  trans-127.373.9-175.3-63.1-154.9-151.300114.3I213M203-I213 HydrophobicContact CE-CB 3.89Å; M203-I213 HydrophobicContact CE-CD1 3.66Å; M203-I213 HydrophobicContact CE-CG1 4.26Å; M203-I213 HydrophobicContact CE-CG2 4.37Å; M203-I213 HydrophobicContact SD-CD1 4.37Å
204K39.4Very low47.7Very low213 Ų21391.8 Ų91.893%0.92648%0.484SS*.SBendtrans-103.7111.8156.3-86.6-173.9175-1790108.8
205G41.5Very low46.7Very low80 Ų8091.8 Ų91.883%0.82549%0.487SS*.SBendtrans127-9.3158.500000118.8
206I37.3Very low45.8Very low121 Ų12195.1 Ų95.162%0.62151%0.508SS*.  trans-137.2131.7177-48.8176.2000108.1I208I206-I208 HydrophobicContact CB-CD1 4.17Å; I206-I208 HydrophobicContact CB-CG1 3.92Å; I206-I208 HydrophobicContact CD1-CD1 4.42Å; I206-I208 HydrophobicContact CG2-CD1 3.98Å; I206-I208 HydrophobicContact CG2-CG1 3.5Å; I206-I208 PolarHBondContact O-N 2.88Å
207P41.2Very low45Very low134 Ų13496.7 Ų96.787%0.8751%0.512SS*.  trans-76.663.8174.534.4-33000108.8
208I38.2Very low44.1Very low72 Ų7291.9 Ų91.937%0.36950%0.495SS..  trans-83.3121.3164.9-53175.8000104.5I206 G210 I213I206-I208 HydrophobicContact CB-CD1 4.17Å; I206-I208 HydrophobicContact CB-CG1 3.92Å; I206-I208 HydrophobicContact CD1-CD1 4.42Å; I206-I208 HydrophobicContact CG2-CD1 3.98Å; I206-I208 HydrophobicContact CG2-CG1 3.5Å; I206-I208 PolarHBondContact O-N 2.88Å; I208-G210 PolarHBondContact O-N 2.99Å; I208-I213 HydrophobicContact CB-CD1 4.19Å; I208-I213 HydrophobicContact CD1-CD1 4.17Å; I208-I213 HydrophobicContact CG2-CD1 3.67Å; I208-I213 HydrophobicContact CG2-CG1 3.94Å
209P38.9Very low43.2Very low35 Ų3596.6 Ų96.623%0.22751%0.51CS..  trans-61.7128.9-175.4-8.518.7000109.3D211 M212 S334P209-D211 PolarHBondContact O-N 3.24Å; P209-M212 HydrophobicContact CB-CG 4.46Å; P209-M212 HydrophobicContact CG-CG 4.21Å; P209-M212 PolarHBondContact O-N 3.32Å; P209-S334 VanDerWaalsContact CB-CA 3.45Å; P209-S334 WeakPolarHBondContact CG-O 3.45Å
210G37.2Very low42.5Very low32 Ų3298.1 Ų98.133%0.3352%0.517SS..Hα-helixtrans-50.7-28.4-177.300000113.5I208 L214I208-G210 PolarHBondContact O-N 2.99Å; G210-L214 WeakPolarHBondContact O-CB 3.43Å; G210-L214 PolarHBondContact O-N 3.11Å
211D39.6Very low41.4Very low50 Ų5094.7 Ų94.727%0.26750%0.502SS..Hα-helixtrans-75.3-23.3178.2-62.3-31000114.1P209 L214 V215 S333P209-D211 PolarHBondContact O-N 3.24Å; D211-L214 WeakPolarHBondContact O-CB 3.24Å; D211-V215 WeakPolarHBondContact O-CB 3.22Å; D211-V215 WeakPolarHBondContact O-CG2 3.09Å; D211-V215 PolarHBondContact O-N 3.1Å; D211-S333 VanDerWaalsContact OD2-CB 3.25Å; D211-S333 WeakPolarHBondContact OD2-CB 3.42Å
212M35Very low40.8Very low87 Ų8787 Ų8743%0.42948%0.475SS..Hα-helixtrans-83.2-38.1-176.5-78.4-84.891.600113.4P209 L214 V215 V216P209-M212 HydrophobicContact CB-CG 4.46Å; P209-M212 HydrophobicContact CG-CG 4.21Å; P209-M212 PolarHBondContact O-N 3.32Å; M212-L214 VanDerWaalsContact C-N 3.32Å; M212-V215 HydrophobicContact CE-CB 3.94Å; M212-V215 HydrophobicContact CE-CG1 3.98Å; M212-V215 HydrophobicContact CE-CG2 4.02Å; M212-V215 PolarHBondContact O-N 2.62Å; M212-V216 WeakPolarHBondContact O-CG2 3.44Å; M212-V216 PolarHBondContact O-N 2.49Å
213I40Very low40.3Very low65 Ų6580.7 Ų80.733%0.33346%0.455SS..Hα-helixtrans-73.7-30.4168.7-70.6168000109.9M203 I208 V216 I217M203-I213 HydrophobicContact CE-CB 3.89Å; M203-I213 HydrophobicContact CE-CD1 3.66Å; M203-I213 HydrophobicContact CE-CG1 4.26Å; M203-I213 HydrophobicContact CE-CG2 4.37Å; M203-I213 HydrophobicContact SD-CD1 4.37Å; I208-I213 HydrophobicContact CB-CD1 4.19Å; I208-I213 HydrophobicContact CD1-CD1 4.17Å; I208-I213 HydrophobicContact CG2-CD1 3.67Å; I208-I213 HydrophobicContact CG2-CG1 3.94Å; I213-V216 PolarHBondContact O-N 2.97Å; I213-I217 HydrophobicContact CG2-CD1 3.75Å; I213-I217 HydrophobicContact CG2-CG1 4.32Å; I213-I217 WeakPolarHBondContact O-CB 3.12Å; I213-I217 VanDerWaalsContact O-CG1 3.32Å; I213-I217 WeakPolarHBondContact O-CG1 3.21Å; I213-I217 PolarHBondContact O-N 2.77Å
214L39.8Very low40.4Very low49 Ų4983.5 Ų83.526%0.25747%0.469SS..Hα-helixtrans-57.2-55163.8-122.295.3000109.2N195 G210 D211 M212 V216 I217 H218N195-L214 WeakPolarHBondContact OD1-CD1 3.09Å; N195-L214 WeakPolarHBondContact OD1-CD2 3.21Å; G210-L214 WeakPolarHBondContact O-CB 3.43Å; G210-L214 PolarHBondContact O-N 3.11Å; D211-L214 WeakPolarHBondContact O-CB 3.24Å; M212-L214 VanDerWaalsContact C-N 3.32Å; L214-V216 VanDerWaalsContact C-N 3.26Å; L214-V216 PolarHBondContact O-N 3.22Å; L214-V216 VanDerWaalsContact O-N 3.17Å; L214-I217 CarbonylContact O-C 3.53Å; L214-I217 PolarHBondContact O-N 2.68Å; L214-I217 VanDerWaalsContact O-N 3.11Å; L214-H218 WeakPolarHBondContact O-CA 3.43Å; L214-H218 WeakPolarHBondContact O-CB 3.29Å; L214-H218 PolarHBondContact O-N 3.14Å
215V39.9Very low40.9Very low59 Ų5975.4 Ų75.436%0.35844%0.436SS..Hα-helixtrans-58.1-27.5178.9165.50000114.3D211 M212 H218 F219D211-V215 WeakPolarHBondContact O-CB 3.22Å; D211-V215 WeakPolarHBondContact O-CG2 3.09Å; D211-V215 PolarHBondContact O-N 3.1Å; M212-V215 HydrophobicContact CE-CB 3.94Å; M212-V215 HydrophobicContact CE-CG1 3.98Å; M212-V215 HydrophobicContact CE-CG2 4.02Å; M212-V215 PolarHBondContact O-N 2.62Å; V215-H218 CarbonylContact O-C 3.52Å; V215-F219 HydrophobicContact CG1-CD2 4.43Å; V215-F219 WeakPolarHBondContact O-CA 2.83Å; V215-F219 VanDerWaalsContact O-CB 3.3Å; V215-F219 WeakPolarHBondContact O-CB 3.03Å; V215-F219 PolarHBondContact O-N 3.4Å
216V38.6Very low41.3Very low111 Ų11173.2 Ų73.267%0.67341%0.405SS*.Hα-helixtrans-80.1-42.2173.5174.20000111.6M212 I213 L214 H218 F219M212-V216 WeakPolarHBondContact O-CG2 3.44Å; M212-V216 PolarHBondContact O-N 2.49Å; I213-V216 PolarHBondContact O-N 2.97Å; L214-V216 VanDerWaalsContact C-N 3.26Å; L214-V216 PolarHBondContact O-N 3.22Å; L214-V216 VanDerWaalsContact O-N 3.17Å; V216-H218 PolarHBondContact O-N 2.92Å; V216-F219 PolarHBondContact O-N 3.38Å
217I42.6Very low42.1Very low93 Ų9372 Ų7248%0.47740%0.399SS..Hα-helixtrans-69.4-24.6171.2-64.8173000111.3I213 L214 K221I213-I217 HydrophobicContact CG2-CD1 3.75Å; I213-I217 HydrophobicContact CG2-CG1 4.32Å; I213-I217 WeakPolarHBondContact O-CB 3.12Å; I213-I217 VanDerWaalsContact O-CG1 3.32Å; I213-I217 WeakPolarHBondContact O-CG1 3.21Å; I213-I217 PolarHBondContact O-N 2.77Å; L214-I217 CarbonylContact O-C 3.53Å; L214-I217 PolarHBondContact O-N 2.68Å; L214-I217 VanDerWaalsContact O-N 3.11Å; I217-K221 HydrophobicContact CG2-CD 4.37Å; I217-K221 WeakPolarHBondContact O-CG 2.91Å; I217-K221 PolarHBondContact O-N 3.39Å
218H43.5Very low42.9Very low38 Ų3869.5 Ų69.518%0.17638%0.377CS..Hα-helixtrans-107.620.4-180-162.6-66.8000109.5L214 V215 V216 P222 F374L214-H218 WeakPolarHBondContact O-CA 3.43Å; L214-H218 WeakPolarHBondContact O-CB 3.29Å; L214-H218 PolarHBondContact O-N 3.14Å; V215-H218 CarbonylContact O-C 3.52Å; V216-H218 PolarHBondContact O-N 2.92Å; H218-P222 VanDerWaalsContact CA-CD 3.5Å; H218-P222 VanDerWaalsContact ND1-CD 3.35Å; H218-P222 WeakPolarHBondContact ND1-CD 3.47Å; H218-P222 VanDerWaalsContact ND1-CG 3.27Å; H218-P222 WeakPolarHBondContact ND1-CG 3.42Å; H218-P222 WeakPolarHBondContact O-CD 3.29Å; H218-P222 WeakPolarHBondContact O-CG 3.46Å; H218-F374 AromaticContact CD2-CE1 3.87Å; H218-F374 AromaticContact CE1-CE1 3.66Å; H218-F374 AromaticContact NE2-CD1 3.6Å; H218-F374 AromaticContact NE2-CE1 2.96Å; H218-F374 WeakPolarHBondContact NE2-CE1 3.48Å; H218-F374 AromaticContact NE2-CZ 3.75Å
219F38.8Very low43.8Very low151 Ų15166.1 Ų66.166%0.66236%0.36SS*.Hα-helixtrans-93.5-28.1153.2-134.1-98.1000108.2V215 V216 A223V215-F219 HydrophobicContact CG1-CD2 4.43Å; V215-F219 WeakPolarHBondContact O-CA 2.83Å; V215-F219 VanDerWaalsContact O-CB 3.3Å; V215-F219 WeakPolarHBondContact O-CB 3.03Å; V215-F219 PolarHBondContact O-N 3.4Å; V216-F219 PolarHBondContact O-N 3.38Å; F219-A223 WeakPolarHBondContact O-CB 3.03Å
220S42.4Very low44.6Very low80 Ų8065.9 Ų65.956%0.55936%0.358SS*.Hα-helixtrans-74.5-45.4169.7-177.90000112.4M224S220-M224 WeakPolarHBondContact O-CB 3.46Å; S220-M224 PolarHBondContact O-N 3.14Å
221K38Very low45.7Very low113 Ų11368 Ų6849%0.49136%0.362SS..Hα-helixtrans-77.8-40-171.4-69.8-178.2-178.7-173.90118.7I217 M224 L225I217-K221 HydrophobicContact CG2-CD 4.37Å; I217-K221 WeakPolarHBondContact O-CG 2.91Å; I217-K221 PolarHBondContact O-N 3.39Å; K221-M224 CarbonylContact O-C 3.44Å; K221-M224 PolarHBondContact O-N 3.32Å; K221-L225 VanDerWaalsContact O-CB 3.28Å; K221-L225 WeakPolarHBondContact O-CB 3.42Å; K221-L225 PolarHBondContact O-N 3.46Å
222P45.4Very low46.7Very low13 Ų1368.8 Ų68.88%0.08437%0.365CS..Hα-helixtrans-71.9-39.2174.822.4-29.7000112.3H218 M224 L225 I226 Y371H218-P222 VanDerWaalsContact CA-CD 3.5Å; H218-P222 VanDerWaalsContact ND1-CD 3.35Å; H218-P222 WeakPolarHBondContact ND1-CD 3.47Å; H218-P222 VanDerWaalsContact ND1-CG 3.27Å; H218-P222 WeakPolarHBondContact ND1-CG 3.42Å; H218-P222 WeakPolarHBondContact O-CD 3.29Å; H218-P222 WeakPolarHBondContact O-CG 3.46Å; P222-M224 VanDerWaalsContact C-N 3.27Å; P222-L225 PolarHBondContact O-N 2.92Å; P222-I226 VanDerWaalsContact O-CB 3.29Å; P222-I226 WeakPolarHBondContact O-CB 3.45Å; P222-I226 WeakPolarHBondContact O-CG1 3.47Å; P222-I226 PolarHBondContact O-N 3.34Å; P222-Y371 HydrophobicContact CB-CE2 3.86Å; P222-Y371 WeakPolarHBondContact CB-OH 3.37Å
223A43.4Very low48Very low42 Ų4265.3 Ų65.335%0.34735%0.35SS..Hα-helixtrans-59.7-45.9170.600000108.5F219 L225 I226 I227F219-A223 WeakPolarHBondContact O-CB 3.03Å; A223-L225 PolarHBondContact O-N 3.46Å; A223-I226 PolarHBondContact O-N 2.92Å; A223-I227 HydrophobicContact CB-CD1 4.34Å; A223-I227 WeakPolarHBondContact O-CA 3.48Å; A223-I227 WeakPolarHBondContact O-CB 2.94Å; A223-I227 VanDerWaalsContact O-CD1 3.22Å; A223-I227 WeakPolarHBondContact O-CD1 2.96Å; A223-I227 WeakPolarHBondContact O-CG1 3.31Å; A223-I227 PolarHBondContact O-N 2.79Å
224M46.8Very low49.1Very low116 Ų11669.2 Ų69.257%0.57137%0.366SS*.Hα-helixtrans-65.6-30.5174.6-171.5-177.8161.600113.6S220 K221 P222 L228S220-M224 WeakPolarHBondContact O-CB 3.46Å; S220-M224 PolarHBondContact O-N 3.14Å; K221-M224 CarbonylContact O-C 3.44Å; K221-M224 PolarHBondContact O-N 3.32Å; P222-M224 VanDerWaalsContact C-N 3.27Å; M224-L228 WeakPolarHBondContact O-CA 3.29Å; M224-L228 WeakPolarHBondContact O-CB 3.31Å; M224-L228 PolarHBondContact O-N 2.94Å
225L49.8Very low50.3Low43 Ų4374.6 Ų74.623%0.22539%0.388CS..Hα-helixtrans-79-35.2177-158.793.2000112L186 K221 P222 A223 G229 W367 Y371L186-L225 HydrophobicContact CD2-CD1 4.39Å; K221-L225 VanDerWaalsContact O-CB 3.28Å; K221-L225 WeakPolarHBondContact O-CB 3.42Å; K221-L225 PolarHBondContact O-N 3.46Å; P222-L225 PolarHBondContact O-N 2.92Å; A223-L225 PolarHBondContact O-N 3.46Å; L225-G229 WeakPolarHBondContact O-CA 3.23Å; L225-G229 PolarHBondContact O-N 2.91Å; L225-W367 HydrophobicContact CD2-CE3 4.39Å; L225-W367 HydrophobicContact CD2-CZ3 3.79Å; L225-W367 HydrophobicContact CG-CZ3 3.88Å; L225-Y371 HydrophobicContact CD2-CD2 3.91Å; L225-Y371 HydrophobicContact CD2-CE2 4.27Å
226I50.6Low51.5Low33 Ų3376.6 Ų76.617%0.16940%0.396CS..Hα-helixtrans-68-49169.6-69.8165.3000108.3P222 A223 L228 G229 T230 L360 L363 Y371P222-I226 VanDerWaalsContact O-CB 3.29Å; P222-I226 WeakPolarHBondContact O-CB 3.45Å; P222-I226 WeakPolarHBondContact O-CG1 3.47Å; P222-I226 PolarHBondContact O-N 3.34Å; A223-I226 PolarHBondContact O-N 2.92Å; I226-L228 VanDerWaalsContact C-N 3.33Å; I226-L228 PolarHBondContact O-N 3.17Å; I226-G229 PolarHBondContact O-N 3.14Å; I226-T230 WeakPolarHBondContact O-CA 3.45Å; I226-T230 WeakPolarHBondContact O-CB 3.44Å; I226-T230 PolarHBondContact O-N 3.35Å; I226-T230 PolarHBondContact O-OG1 3.4Å; I226-L360 HydrophobicContact CD1-CD2 4.17Å; I226-L360 HydrophobicContact CG2-CD2 3.92Å; I226-L363 HydrophobicContact CG2-CD1 4.09Å; I226-Y371 HydrophobicContact CD1-CE1 4.3Å; I226-Y371 HydrophobicContact CD1-CE2 4.08Å; I226-Y371 HydrophobicContact CG1-CD2 4.48Å; I226-Y371 HydrophobicContact CG1-CE2 3.93Å
227I54.9Low52.6Low97 Ų9778.9 Ų78.950%0.49740%0.397SS..Hα-helixtrans-60.6-42.9175.3-69162000110.1A223 L231A223-I227 HydrophobicContact CB-CD1 4.34Å; A223-I227 WeakPolarHBondContact O-CA 3.48Å; A223-I227 WeakPolarHBondContact O-CB 2.94Å; A223-I227 VanDerWaalsContact O-CD1 3.22Å; A223-I227 WeakPolarHBondContact O-CD1 2.96Å; A223-I227 WeakPolarHBondContact O-CG1 3.31Å; A223-I227 PolarHBondContact O-N 2.79Å; I227-L231 HydrophobicContact CG2-CD1 3.49Å; I227-L231 VanDerWaalsContact CG2-CD1 3.49Å; I227-L231 HydrophobicContact CG2-CG 4.22Å; I227-L231 WeakPolarHBondContact O-CA 3.47Å; I227-L231 WeakPolarHBondContact O-CB 3.11Å; I227-L231 VanDerWaalsContact O-CD1 3.31Å; I227-L231 WeakPolarHBondContact O-CD1 3.33Å; I227-L231 WeakPolarHBondContact O-CG 3.37Å; I227-L231 PolarHBondContact O-N 3.28Å
228L56.9Low53.4Low81 Ų8175.5 Ų75.542%0.42438%0.38SS..Hα-helixtrans-69.9-38.5177.2-176.668.8000111.6M224 I226 L232M224-L228 WeakPolarHBondContact O-CA 3.29Å; M224-L228 WeakPolarHBondContact O-CB 3.31Å; M224-L228 PolarHBondContact O-N 2.94Å; I226-L228 VanDerWaalsContact C-N 3.33Å; I226-L228 PolarHBondContact O-N 3.17Å; L228-L232 HydrophobicContact CD1-CD1 3.75Å; L228-L232 HydrophobicContact CG-CD1 3.92Å; L228-L232 VanDerWaalsContact O-CB 3.24Å; L228-L232 WeakPolarHBondContact O-CB 3.4Å; L228-L232 WeakPolarHBondContact O-CD1 3.1Å; L228-L232 PolarHBondContact O-N 3.21Å
229G57.1Low54Low1 Ų180.5 Ų80.51%0.0140%0.403CS..Hα-helixtrans-71.4-37.617600000112.5L225 I226 S233L225-G229 WeakPolarHBondContact O-CA 3.23Å; L225-G229 PolarHBondContact O-N 2.91Å; I226-G229 PolarHBondContact O-N 3.14Å; G229-S233 WeakPolarHBondContact O-CB 3.4Å; G229-S233 PolarHBondContact O-N 3.44Å
230T56.6Low55Low30 Ų3077.6 Ų77.618%0.18440%0.401CS..Hα-helixtrans-70-41.4172.2-59.20000110.4I226 S233 H234 S362I226-T230 WeakPolarHBondContact O-CA 3.45Å; I226-T230 WeakPolarHBondContact O-CB 3.44Å; I226-T230 PolarHBondContact O-N 3.35Å; I226-T230 PolarHBondContact O-OG1 3.4Å; T230-S233 PolarHBondContact O-N 3Å; T230-H234 WeakPolarHBondContact O-CB 3.34Å; T230-H234 PolarHBondContact O-N 3.47Å; T230-S362 VanDerWaalsContact CG2-OG 3.29Å; T230-S362 WeakPolarHBondContact CG2-OG 3.43Å
231L58.9Low55.7Low77 Ų7780.7 Ų80.740%0.40340%0.402SS..Hα-helixtrans-66.1-45.5172.4-76.4162.6000110.9I227 S233 H234 F235I227-L231 HydrophobicContact CG2-CD1 3.49Å; I227-L231 VanDerWaalsContact CG2-CD1 3.49Å; I227-L231 HydrophobicContact CG2-CG 4.22Å; I227-L231 WeakPolarHBondContact O-CA 3.47Å; I227-L231 WeakPolarHBondContact O-CB 3.11Å; I227-L231 VanDerWaalsContact O-CD1 3.31Å; I227-L231 WeakPolarHBondContact O-CD1 3.33Å; I227-L231 WeakPolarHBondContact O-CG 3.37Å; I227-L231 PolarHBondContact O-N 3.28Å; L231-S233 PolarHBondContact O-N 3.41Å; L231-H234 PolarHBondContact O-N 2.87Å; L231-F235 HydrophobicContact CB-CD2 4.13Å; L231-F235 HydrophobicContact CB-CE2 4.24Å; L231-F235 HydrophobicContact CD2-CD2 4.25Å; L231-F235 HydrophobicContact CD2-CE2 3.58Å; L231-F235 HydrophobicContact CD2-CZ 4.39Å; L231-F235 HydrophobicContact CG-CE2 4.49Å; L231-F235 VanDerWaalsContact O-CB 3.29Å; L231-F235 WeakPolarHBondContact O-CB 3.44Å; L231-F235 WeakPolarHBondContact O-CD2 3.35Å; L231-F235 WeakPolarHBondContact O-CG 3.34Å; L231-F235 PolarHBondContact O-N 3.48Å
232L62Low56.8Low65 Ų6578 Ų7834%0.3441%0.407SS..Hα-helixtrans-61.5-44.4174.7-107.983.8000110.6L228 H234 L236L228-L232 HydrophobicContact CD1-CD1 3.75Å; L228-L232 HydrophobicContact CG-CD1 3.92Å; L228-L232 VanDerWaalsContact O-CB 3.24Å; L228-L232 WeakPolarHBondContact O-CB 3.4Å; L228-L232 WeakPolarHBondContact O-CD1 3.1Å; L228-L232 PolarHBondContact O-N 3.21Å; L232-H234 VanDerWaalsContact C-N 3.33Å; L232-H234 PolarHBondContact O-N 3.38Å; L232-L236 HydrophobicContact CB-CD1 4.17Å; L232-L236 HydrophobicContact CD2-CD1 3.93Å; L232-L236 HydrophobicContact CG-CD1 3.94Å; L232-L236 WeakPolarHBondContact O-CB 3.32Å; L232-L236 WeakPolarHBondContact O-CD1 3.35Å; L232-L236 VanDerWaalsContact O-CG 3.3Å; L232-L236 WeakPolarHBondContact O-CG 3.45Å; L232-L236 PolarHBondContact O-N 3.35Å
233S62.4Low57.4Low15 Ų1577.9 Ų77.911%0.10541%0.405CS..Hα-helixtrans-61.3-42.7177-174.40000111.8G229 T230 L231 K237 L238G229-S233 WeakPolarHBondContact O-CB 3.4Å; G229-S233 PolarHBondContact O-N 3.44Å; T230-S233 PolarHBondContact O-N 3Å; L231-S233 PolarHBondContact O-N 3.41Å; S233-K237 WeakPolarHBondContact O-CA 3.03Å; S233-K237 PolarHBondContact O-N 3.08Å; S233-K237 VanDerWaalsContact O-N 3.11Å; S233-L238 PolarHBondContact O-N 3.18Å
234H62.8Low58.1Low147 Ų14780 Ų8068%0.68141%0.411SS*.Hα-helixtrans-70-45179-165.977.2000112.2T230 L231 L232T230-H234 WeakPolarHBondContact O-CB 3.34Å; T230-H234 PolarHBondContact O-N 3.47Å; L231-H234 PolarHBondContact O-N 2.87Å; L232-H234 VanDerWaalsContact C-N 3.33Å; L232-H234 PolarHBondContact O-N 3.38Å
235F65.6Low59Low162 Ų16277.4 Ų77.471%0.71140%0.398SS*.Hα-helixtrans-74.9-32.2179.9-76.2-61.1000113.4L231L231-F235 HydrophobicContact CB-CD2 4.13Å; L231-F235 HydrophobicContact CB-CE2 4.24Å; L231-F235 HydrophobicContact CD2-CD2 4.25Å; L231-F235 HydrophobicContact CD2-CE2 3.58Å; L231-F235 HydrophobicContact CD2-CZ 4.39Å; L231-F235 HydrophobicContact CG-CE2 4.49Å; L231-F235 VanDerWaalsContact O-CB 3.29Å; L231-F235 WeakPolarHBondContact O-CB 3.44Å; L231-F235 WeakPolarHBondContact O-CD2 3.35Å; L231-F235 WeakPolarHBondContact O-CG 3.34Å; L231-F235 PolarHBondContact O-N 3.48Å
236L64.1Low59.5Low100 Ų10076.1 Ų76.152%0.52439%0.392SS..Hα-helixtrans-90.2-2.8178.5-65.3163000113.3L232 L238L232-L236 HydrophobicContact CB-CD1 4.17Å; L232-L236 HydrophobicContact CD2-CD1 3.93Å; L232-L236 HydrophobicContact CG-CD1 3.94Å; L232-L236 WeakPolarHBondContact O-CB 3.32Å; L232-L236 WeakPolarHBondContact O-CD1 3.35Å; L232-L236 VanDerWaalsContact O-CG 3.3Å; L232-L236 WeakPolarHBondContact O-CG 3.45Å; L232-L236 PolarHBondContact O-N 3.35Å; L236-L238 VanDerWaalsContact C-N 3.3Å; L236-L238 HydrophobicContact CB-CG 4.19Å; L236-L238 PolarHBondContact O-N 3.35Å
237K62.8Low60.3Low159 Ų15976 Ų7669%0.69140%0.399SS*.THydrogen-bonded Turntrans43.554.6-173.9-79.8-176.3174177.60112S233 Q239 S240S233-K237 WeakPolarHBondContact O-CA 3.03Å; S233-K237 PolarHBondContact O-N 3.08Å; S233-K237 VanDerWaalsContact O-N 3.11Å; K237-Q239 PolarHBondContact O-N 2.84Å; K237-S240 WeakPolarHBondContact O-CB 3.23Å; K237-S240 PolarHBondContact O-N 3.48Å; K237-S240 PolarHBondContact O-OG 3.3Å
238L58.4Low61Low22 Ų2277.4 Ų77.412%0.11540%0.403CS..G310 helixtrans-59.1-21.1-173.8-85.3160.5000114.3S233 L236 S240 Y241 M243S233-L238 PolarHBondContact O-N 3.18Å; L236-L238 VanDerWaalsContact C-N 3.3Å; L236-L238 HydrophobicContact CB-CG 4.19Å; L236-L238 PolarHBondContact O-N 3.35Å; L238-S240 PolarHBondContact O-N 3.29Å; L238-Y241 PolarHBondContact O-N 3.44Å; L238-M243 HydrophobicContact CD2-CE 3.78Å
239Q57.3Low61.8Low143 Ų14373.8 Ų73.867%0.66838%0.384SS*.G310 helixtrans-62.5-26.3173.6-148.2174.66.600113K237 Y241 G242K237-Q239 PolarHBondContact O-N 2.84Å; Q239-Y241 PolarHBondContact O-N 3.13Å; Q239-G242 PolarHBondContact O-N 3.36Å
240S58Low62.5Low90 Ų9076.5 Ų76.563%0.62940%0.402SS*.G310 helixtrans-70.9-14.3174.663.40000113.9K237 L238K237-S240 WeakPolarHBondContact O-CB 3.23Å; K237-S240 PolarHBondContact O-N 3.48Å; K237-S240 PolarHBondContact O-OG 3.3Å; L238-S240 PolarHBondContact O-N 3.29Å
241Y58.1Low63.3Low145 Ų14578.9 Ų78.957%0.56942%0.419SS*.G310 helixtrans-99.413.2176.7-68.3-86.2000113H173 L238 Q239 M243H173-Y241 PolarHBondContact CE1-O 3.47Å; L238-Y241 PolarHBondContact O-N 3.44Å; Q239-Y241 PolarHBondContact O-N 3.13Å; Y241-M243 PolarHBondContact O-N 3.5Å
242G59.9Low64.3Low57 Ų5775.6 Ų75.659%0.58840%0.404SS*.THydrogen-bonded Turntrans73.619.7175.100000115.3Q239Q239-G242 PolarHBondContact O-N 3.36Å
243M58.7Low65.3Low10 Ų1075.8 Ų75.85%0.04941%0.405CS..  trans-82.5125.9176.7-76.1-124.7-88.300112.1S176 L238 Y241 V366S176-M243 PolarHBondContact OG-SD 2.65Å; L238-M243 HydrophobicContact CD2-CE 3.78Å; Y241-M243 PolarHBondContact O-N 3.5Å; M243-V366 HydrophobicContact SD-CG2 3.73Å
244D57.9Low66.4Low88 Ų8876.6 Ų76.647%0.47141%0.41SS..  trans-65.4133.4176.3-74.1-32.4000111.2E365D244-E365 HydrophobicContact CB-CG 4.27Å; D244-E365 WeakPolarHBondContact O-CB 3.19Å; D244-E365 PolarHBondContact O-N 3.39Å
245I66.2Low67.4Low61 Ų6174.5 Ų74.531%0.31341%0.411SS..BIsolated β-bridgetrans-109.5158.1179.438.7167.5000110.9G247I245-G247 PolarHBondContact O-N 2.95Å; I245-G247 VanDerWaalsContact O-N 3.12Å
246V61.2Low68.5Low15 Ų1571.4 Ų71.49%0.09141%0.407CS..  trans-56.6-28.6-174.2164.50000114.8A11 I249 L363 K368A11-V246 HydrophobicContact CB-CG1 4.12Å; V246-I249 HydrophobicContact CG1-CD1 3.95Å; V246-I249 HydrophobicContact CG1-CG1 4.24Å; V246-L363 HydrophobicContact CG2-CB 3.86Å; V246-L363 HydrophobicContact CG2-CD2 4.41Å; V246-L363 VanDerWaalsContact CG2-O 3.28Å; V246-L363 WeakPolarHBondContact CG2-O 3.31Å; V246-L363 PolarHBondContact N-O 3.02Å; V246-K368 VanDerWaalsContact CG1-CE 3.45Å; V246-K368 VanDerWaalsContact CG1-NZ 3.27Å; V246-K368 HydrophobicContact CG2-CB 4.23Å; V246-K368 HydrophobicContact CG2-CD 3.45Å; V246-K368 VanDerWaalsContact CG2-CD 3.45Å; V246-K368 HydrophobicContact CG2-CG 3.79Å; V246-K368 VanDerWaalsContact CG2-NZ 3.28Å
247G66.6Low69.4Low30 Ų3069.5 Ų69.531%0.30941%0.407SS..  trans78.4-178.1-177.700000113.2I245 I249 E361I245-G247 PolarHBondContact O-N 2.95Å; I245-G247 VanDerWaalsContact O-N 3.12Å; G247-I249 PolarHBondContact O-N 2.83Å; G247-E361 WeakPolarHBondContact O-CG 3.18Å
248H70.3Confident70.5Confident127 Ų12768.7 Ų68.759%0.58841%0.409SS*.  trans-64.6127.9-172.9-172.5-73.8000113.4E361H248-E361 WeakPolarHBondContact CA-OE1 3.18Å; H248-E361 WeakPolarHBondContact CB-OE1 3.48Å; H248-E361 IonicContact CD2-OE1 3.46Å; H248-E361 PolarHBondContact CD2-OE1 2.76Å; H248-E361 IonicContact CG-OE1 2.67Å; H248-E361 VanDerWaalsContact CG-OE1 3.28Å
249I72.7Confident71.8Confident6 Ų667.8 Ų67.83%0.03141%0.405CS..  trans-108.8109174.2-57.6-178.4000108.8A12 V246 G247 S251 L360A12-I249 HydrophobicContact CB-CG2 4.25Å; V246-I249 HydrophobicContact CG1-CD1 3.95Å; V246-I249 HydrophobicContact CG1-CG1 4.24Å; G247-I249 PolarHBondContact O-N 2.83Å; I249-S251 PolarHBondContact O-N 2.93Å; I249-L360 HydrophobicContact CD1-CB 3.86Å
250P71.4Confident73Confident58 Ų5864 Ų6438%0.37739%0.389SS..  trans-64.3124.917923.4-30.6000111.5A12A12-P250 HydrophobicContact CB-CG 4.33Å
251S74.6Confident74.2Confident79 Ų7965.4 Ų65.455%0.55238%0.384SS*.  trans-72.6125.6175.2-0.50000110.7I249I249-S251 PolarHBondContact O-N 2.93Å
252G79.2Confident75.4Confident8 Ų862.4 Ų62.48%0.08238%0.384CS..SBendtrans109.8176.6177.600000114.6I353G252-I353 WeakPolarHBondContact O-CG2 3.47Å
253I83.9Confident76.4Confident70 Ų7060.3 Ų60.336%0.35936%0.359SS..PPolyproline II helixtrans-80.8135.7179.6-49.7176.8000108.5F20 L350 Y354F20-I253 HydrophobicContact CE2-CG2 4.11Å; F20-I253 HydrophobicContact CZ-CG2 3.54Å; I253-L350 HydrophobicContact CD1-CD1 3.81Å; I253-L350 HydrophobicContact CG1-CD1 3.93Å; I253-Y354 HydrophobicContact CG1-CE2 4.12Å
254P84.2Confident77.5Confident32 Ų3262.1 Ų62.121%0.20837%0.367CS..PPolyproline II helixtrans-65.4143178.327.5-35.2000110.9Y16 F316Y16-P254 HydrophobicContact CD1-CG 4.25Å; Y16-P254 HydrophobicContact CD2-CG 3.8Å; Y16-P254 HydrophobicContact CE1-CG 4.28Å; Y16-P254 HydrophobicContact CE2-CB 4.18Å; Y16-P254 HydrophobicContact CE2-CG 3.83Å; Y16-P254 HydrophobicContact CG-CG 4.03Å; P254-F316 HydrophobicContact CG-CB 4.1Å; P254-F316 WeakPolarHBondContact CG-O 3.43Å
255S85.1Confident78.7Confident102 Ų10263.5 Ų63.571%0.71338%0.378SS*.PPolyproline II helixtrans-58.3134.7171.8-41.10000109.7A257S255-A257 PolarHBondContact O-N 2.82Å
256P88.6Confident79.3Confident97 Ų9763.7 Ų63.763%0.6338%0.383SS*.PPolyproline II helixtrans-61.412517622-29.6000110.3F315 F316P256-F315 CarbonylContact C-O 3.59Å; P256-F315 VanDerWaalsContact CA-O 3.27Å; P256-F315 WeakPolarHBondContact CA-O 3.23Å; P256-F316 HydrophobicContact CB-CD1 4.47Å; P256-F316 HydrophobicContact CB-CE1 4.02Å; P256-F316 HydrophobicContact CB-CZ 4.45Å; P256-F316 HydrophobicContact CG-CE1 4.46Å
257A83.3Confident80.4Confident61 Ų6163 Ų6350%0.50438%0.379SS..  trans-119.2142.4179.700000110.5S255 F315S255-A257 PolarHBondContact O-N 2.82Å; A257-F315 PolarHBondContact N-O 3.39Å; A257-F315 WeakPolarHBondContact O-CA 3.41Å
258L85.3Confident81Confident141 Ų14164.5 Ų64.574%0.73838%0.38SS*.  trans-77136.7175.7-72.2169.3000110.1F315L258-F315 HydrophobicContact CD2-CD1 4.41Å; L258-F315 HydrophobicContact CD2-CE1 4.01Å
259P84.6Confident81.2Confident4 Ų461.5 Ų61.53%0.02637%0.37CS..  trans-65.9146.1172.525.3-29.9000110.6T92 F95 F261T92-P259 HydrophobicContact CG2-CB 4.48Å; F95-P259 HydrophobicContact CB-CB 3.94Å; F95-P259 HydrophobicContact CB-CG 3.8Å; F95-P259 HydrophobicContact CD1-CB 4.44Å; F95-P259 HydrophobicContact CD1-CG 3.88Å; F95-P259 HydrophobicContact CD2-CG 3.68Å; F95-P259 HydrophobicContact CE1-CG 4.37Å; F95-P259 HydrophobicContact CE2-CG 4.15Å; F95-P259 HydrophobicContact CG-CB 4.14Å; F95-P259 HydrophobicContact CG-CG 3.51Å; F95-P259 HydrophobicContact CZ-CG 4.49Å; P259-F261 HydrophobicContact CG-CZ 4.37Å; P259-F261 WeakPolarHBondContact O-CD2 3.19Å; P259-F261 PolarHBondContact O-N 3.32Å; P259-F261 VanDerWaalsContact O-N 3.11Å
260D83.1Confident81.4Confident62 Ų6262.8 Ų62.833%0.33238%0.377SS..  trans-78.4100.2-179.1-174-8.3000109.9T92 S262 L263T92-D260 WeakPolarHBondContact CG2-O 3.08Å; T92-D260 PolarHBondContact OG1-N 3.47Å; T92-D260 PolarHBondContact OG1-O 3.22Å; D260-S262 PolarHBondContact O-N 2.69Å; D260-S262 WeakPolarHBondContact OD1-CB 2.93Å; D260-S262 PolarHBondContact OD1-N 3.29Å; D260-S262 VanDerWaalsContact OD1-N 3.1Å; D260-S262 PolarHBondContact OD1-OG 2.93Å; D260-S262 PolarHBondContact OD2-OG 2.87Å; D260-L263 HydrophobicContact CB-CD1 4.15Å; D260-L263 PolarHBondContact O-N 3.44Å; D260-L263 VanDerWaalsContact O-N 3.12Å
261F84.1Confident82.1Confident121 Ų12160 Ų6053%0.53136%0.359SS..G310 helixtrans-61.1-17-176.8-65.9-76.2000113.8F95 P259 L263 F264F95-F261 HydrophobicContact CD1-CE1 4.49Å; F95-F261 HydrophobicContact CE1-CD1 4.44Å; F95-F261 AromaticContact CE1-CE1 3.67Å; F95-F261 HydrophobicContact CE1-CE1 3.67Å; F95-F261 HydrophobicContact CE1-CZ 4.49Å; F95-F261 AromaticContact CZ-CE1 3.9Å; F95-F261 HydrophobicContact CZ-CE1 3.9Å; F95-F261 HydrophobicContact CZ-CZ 4.36Å; P259-F261 HydrophobicContact CG-CZ 4.37Å; P259-F261 WeakPolarHBondContact O-CD2 3.19Å; P259-F261 PolarHBondContact O-N 3.32Å; P259-F261 VanDerWaalsContact O-N 3.11Å; F261-L263 PolarHBondContact O-N 2.98Å; F261-F264 VanDerWaalsContact O-CB 3.31Å; F261-F264 WeakPolarHBondContact O-CB 3.4Å; F261-F264 PolarHBondContact O-N 2.91Å
262S81.6Confident82.3Confident82 Ų8258.8 Ų58.857%0.57335%0.346SS*.G310 helixtrans-64.7-29.9176.368.50000112.7D260D260-S262 PolarHBondContact O-N 2.69Å; D260-S262 WeakPolarHBondContact OD1-CB 2.93Å; D260-S262 PolarHBondContact OD1-N 3.29Å; D260-S262 VanDerWaalsContact OD1-N 3.1Å; D260-S262 PolarHBondContact OD1-OG 2.93Å; D260-S262 PolarHBondContact OD2-OG 2.87Å
263L81.7Confident81.9Confident12 Ų1259 Ų596%0.06335%0.346CS..G310 helixtrans-86.3-5.3-179.8-70.9158000113.3F53 V84 V89 T92 D260 F261 V265 P266 I267F53-L263 HydrophobicContact CD1-CD2 3.77Å; F53-L263 HydrophobicContact CE1-CD2 4.01Å; F53-L263 HydrophobicContact CG-CD2 4.32Å; V84-L263 HydrophobicContact CG1-CD1 3.49Å; V84-L263 VanDerWaalsContact CG1-CD1 3.49Å; V84-L263 HydrophobicContact CG2-CD1 4.4Å; V89-L263 HydrophobicContact CG2-CD1 4.31Å; T92-L263 HydrophobicContact CG2-CB 4.08Å; D260-L263 HydrophobicContact CB-CD1 4.15Å; D260-L263 PolarHBondContact O-N 3.44Å; D260-L263 VanDerWaalsContact O-N 3.12Å; F261-L263 PolarHBondContact O-N 2.98Å; L263-V265 PolarHBondContact O-N 3.31Å; L263-P266 VanDerWaalsContact O-CD 3.25Å; L263-P266 WeakPolarHBondContact O-CD 3.26Å; L263-P266 WeakPolarHBondContact O-CG 3.1Å; L263-I267 HydrophobicContact CB-CD1 3.69Å; L263-I267 HydrophobicContact CB-CG1 4.47Å; L263-I267 HydrophobicContact CD2-CD1 4.48Å; L263-I267 WeakPolarHBondContact O-CB 3.48Å; L263-I267 WeakPolarHBondContact O-CD1 3.28Å; L263-I267 WeakPolarHBondContact O-CG1 3.31Å; L263-I267 PolarHBondContact O-N 2.89Å
264F82.5Confident81.7Confident48 Ų4855.8 Ų55.821%0.21133%0.329CS..Hα-helixtrans-63.5-43.9-172.3-164.5-92000113F95 A96 V99 F261 L268F95-F264 HydrophobicContact CD1-CD2 4.15Å; F95-F264 AromaticContact CD1-CE2 3.79Å; F95-F264 HydrophobicContact CD1-CE2 3.79Å; F95-F264 HydrophobicContact CE1-CD2 4.37Å; F95-F264 AromaticContact CE1-CE2 3.91Å; F95-F264 HydrophobicContact CE1-CE2 3.91Å; A96-F264 HydrophobicContact CB-CD2 4.04Å; A96-F264 HydrophobicContact CB-CE2 3.62Å; A96-F264 HydrophobicContact CB-CZ 4.19Å; V99-F264 HydrophobicContact CG1-CZ 4.44Å; F261-F264 VanDerWaalsContact O-CB 3.31Å; F261-F264 WeakPolarHBondContact O-CB 3.4Å; F261-F264 PolarHBondContact O-N 2.91Å; F264-L268 HydrophobicContact CD1-CD1 3.95Å; F264-L268 HydrophobicContact CE1-CD1 3.6Å; F264-L268 HydrophobicContact CZ-CD1 4.44Å; F264-L268 PolarHBondContact O-N 2.67Å
265V81.7Confident81.6Confident117 Ų11754.2 Ų54.271%0.70932%0.319SS*.Hα-helixtrans-65.8-50-180-179.60000112.5L263 I267 L268L263-V265 PolarHBondContact O-N 3.31Å; V265-I267 VanDerWaalsContact C-N 3.29Å; V265-I267 PolarHBondContact O-N 3.19Å; V265-L268 VanDerWaalsContact O-CB 3.23Å; V265-L268 WeakPolarHBondContact O-CB 3.46Å; V265-L268 PolarHBondContact O-N 3.41Å
266P78.7Confident81.1Confident65 Ų6552.1 Ų52.142%0.42230%0.3SS..Hα-helixtrans-70.6-20.9-17825.7-34.8000114.3F53 L263F53-P266 HydrophobicContact CE1-CB 3.99Å; F53-P266 HydrophobicContact CE1-CG 4.08Å; F53-P266 HydrophobicContact CZ-CB 3.9Å; F53-P266 HydrophobicContact CZ-CG 4.24Å; L263-P266 VanDerWaalsContact O-CD 3.25Å; L263-P266 WeakPolarHBondContact O-CD 3.26Å; L263-P266 WeakPolarHBondContact O-CG 3.1Å
267I84.3Confident80.3Confident0 Ų047.9 Ų47.90%027%0.272CS..Hα-helixtrans-92.9-9178.8-55.5172.4000112.3V49 F53 V89 L93 L263 V265 V269 D270 A271V49-I267 HydrophobicContact CG1-CG1 4.4Å; V49-I267 HydrophobicContact CG1-CG2 3.89Å; F53-I267 HydrophobicContact CD2-CG1 4.38Å; F53-I267 HydrophobicContact CE2-CD1 4.18Å; F53-I267 HydrophobicContact CE2-CG1 3.55Å; F53-I267 HydrophobicContact CZ-CD1 4.47Å; F53-I267 HydrophobicContact CZ-CG1 3.64Å; V89-I267 HydrophobicContact CG1-CD1 4.08Å; L93-I267 HydrophobicContact CB-CG2 4.05Å; L93-I267 HydrophobicContact CD1-CG2 3.23Å; L93-I267 HydrophobicContact CG-CG2 4.18Å; L263-I267 HydrophobicContact CB-CD1 3.69Å; L263-I267 HydrophobicContact CB-CG1 4.47Å; L263-I267 HydrophobicContact CD2-CD1 4.48Å; L263-I267 WeakPolarHBondContact O-CB 3.48Å; L263-I267 WeakPolarHBondContact O-CD1 3.28Å; L263-I267 WeakPolarHBondContact O-CG1 3.31Å; L263-I267 PolarHBondContact O-N 2.89Å; V265-I267 VanDerWaalsContact C-N 3.29Å; V265-I267 PolarHBondContact O-N 3.19Å; I267-V269 VanDerWaalsContact C-N 3.33Å; I267-V269 PolarHBondContact O-N 3.03Å; I267-V269 VanDerWaalsContact O-N 3.13Å; I267-D270 HydrophobicContact CG2-CB 4.41Å; I267-D270 WeakPolarHBondContact O-CB 3.26Å; I267-D270 PolarHBondContact O-N 3.17Å; I267-A271 PolarHBondContact O-N 3.11Å
268L79.7Confident80.2Confident63 Ų6345 Ų4533%0.3325%0.248SC..Hα-helixtrans-51.2-44.9-168.9-163.885.2000114.2F100 F264 V265 A271 L272F100-L268 HydrophobicContact CE2-CD1 3.49Å; F100-L268 VanDerWaalsContact CE2-CD1 3.49Å; F100-L268 HydrophobicContact CE2-CG 3.68Å; F100-L268 WeakPolarHBondContact CE2-O 3.15Å; F100-L268 HydrophobicContact CZ-CD1 3.54Å; F100-L268 HydrophobicContact CZ-CD2 4.25Å; F100-L268 HydrophobicContact CZ-CG 3.6Å; F264-L268 HydrophobicContact CD1-CD1 3.95Å; F264-L268 HydrophobicContact CE1-CD1 3.6Å; F264-L268 HydrophobicContact CZ-CD1 4.44Å; F264-L268 PolarHBondContact O-N 2.67Å; V265-L268 VanDerWaalsContact O-CB 3.23Å; V265-L268 WeakPolarHBondContact O-CB 3.46Å; V265-L268 PolarHBondContact O-N 3.41Å; L268-A271 PolarHBondContact O-N 3.09Å; L268-L272 PolarHBondContact O-N 2.92Å; L268-L272 VanDerWaalsContact O-N 3.08Å
269V74.5Confident79.8Confident64 Ų6439.3 Ų39.339%0.38822%0.217SC..Hα-helixtrans-70.4-38.1-177.5179.30000111.6I267 L272 T273I267-V269 VanDerWaalsContact C-N 3.33Å; I267-V269 PolarHBondContact O-N 3.03Å; I267-V269 VanDerWaalsContact O-N 3.13Å; V269-L272 PolarHBondContact O-N 2.55Å; V269-T273 PolarHBondContact O-N 2.95Å; V269-T273 VanDerWaalsContact O-N 3.16Å; V269-T273 PolarHBondContact O-OG1 3.19Å
270D78Confident79.3Confident32 Ų3240.5 Ų40.517%0.17123%0.225CC..Hα-helixtrans-67.1-41.8177-53.8-89.5000110.7V49 R52 L93 I267 L272 T273 I274V49-D270 HydrophobicContact CG2-CB 3.6Å; R52-D270 IonicContact CZ-OD1 3.51Å; R52-D270 IonicContact CZ-OD2 2.71Å; R52-D270 VanDerWaalsContact CZ-OD2 3.26Å; R52-D270 IonicContact NH1-OD1 3.22Å; R52-D270 IonicContact NH1-OD2 3.18Å; R52-D270 PolarHBondContact NH1-OD2 3.15Å; R52-D270 IonicContact NH2-OD1 2.81Å; R52-D270 PolarHBondContact NH2-OD1 2.73Å; R52-D270 IonicContact NH2-OD2 3.48Å; R52-D270 PolarHBondContact NH2-OD2 2.97Å; L93-D270 HydrophobicContact CD1-CB 4.33Å; I267-D270 HydrophobicContact CG2-CB 4.41Å; I267-D270 WeakPolarHBondContact O-CB 3.26Å; I267-D270 PolarHBondContact O-N 3.17Å; D270-L272 PolarHBondContact O-N 3.24Å; D270-T273 PolarHBondContact O-N 3.32Å; D270-I274 WeakPolarHBondContact O-CG1 3.5Å; D270-I274 PolarHBondContact O-N 3.5Å
271A85.6Confident78.8Confident0 Ų038 Ų380%021%0.212CC..Hα-helixtrans-60.7-43.9176.200000112.3L93 A96 T97 F100 I267 L268 T273 I274 C275L93-A271 HydrophobicContact CD1-CB 4.01Å; A96-A271 HydrophobicContact CB-CB 3.54Å; T97-A271 HydrophobicContact CG2-CB 3.93Å; T97-A271 VanDerWaalsContact CG2-O 3.3Å; T97-A271 WeakPolarHBondContact CG2-O 3.45Å; F100-A271 HydrophobicContact CD2-CB 4.01Å; F100-A271 HydrophobicContact CE2-CB 4.33Å; I267-A271 PolarHBondContact O-N 3.11Å; L268-A271 PolarHBondContact O-N 3.09Å; A271-T273 VanDerWaalsContact C-N 3.3Å; A271-T273 PolarHBondContact O-N 3.12Å; A271-I274 PolarHBondContact O-N 3.5Å; A271-C275 VanDerWaalsContact O-CB 3.24Å; A271-C275 WeakPolarHBondContact O-CB 3.3Å; A271-C275 PolarHBondContact O-N 3.5Å
272L78.1Confident78.7Confident53 Ų5332.3 Ų32.328%0.27719%0.187SC..Hα-helixtrans-58.8-43.6175-171.185.6000111.5F100 L104 L268 V269 D270 C275 I276F100-L272 HydrophobicContact CD1-CD1 3.68Å; F100-L272 HydrophobicContact CE1-CD1 3.73Å; F100-L272 HydrophobicContact CG-CD1 4.23Å; F100-L272 HydrophobicContact CZ-CD1 4.31Å; L104-L272 HydrophobicContact CD1-CD1 4.01Å; L268-L272 PolarHBondContact O-N 2.92Å; L268-L272 VanDerWaalsContact O-N 3.08Å; V269-L272 PolarHBondContact O-N 2.55Å; D270-L272 PolarHBondContact O-N 3.24Å; L272-C275 WeakPolarHBondContact O-CB 3.45Å; L272-C275 PolarHBondContact O-N 3.36Å; L272-I276 WeakPolarHBondContact O-CG1 3.03Å; L272-I276 PolarHBondContact O-N 3.09Å
273T72.1Confident78.4Confident12 Ų1228.5 Ų28.57%0.07416%0.16CC..Hα-helixtrans-67-46.4-177.7-50.50000111.1M45 V269 D270 A271 C275 I276 V277 V433 C437M45-T273 HydrophobicContact CE-CG2 3.83Å; V269-T273 PolarHBondContact O-N 2.95Å; V269-T273 VanDerWaalsContact O-N 3.16Å; V269-T273 PolarHBondContact O-OG1 3.19Å; D270-T273 PolarHBondContact O-N 3.32Å; A271-T273 VanDerWaalsContact C-N 3.3Å; A271-T273 PolarHBondContact O-N 3.12Å; T273-C275 VanDerWaalsContact C-N 3.32Å; T273-C275 PolarHBondContact O-N 3.35Å; T273-I276 PolarHBondContact O-N 3.29Å; T273-V277 WeakPolarHBondContact O-CG2 3.49Å; T273-V277 PolarHBondContact O-N 3.24Å; T273-V277 VanDerWaalsContact O-N 3.16Å; T273-V433 HydrophobicContact CG2-CG1 4.1Å; T273-C437 HydrophobicContact CG2-CB 4.25Å
274I79.8Confident78Confident3 Ų328.5 Ų28.52%0.01516%0.161CC..Hα-helixtrans-63-39.7177.5-70.6170.6000110.8I42 M45 V46 L93 T97 D270 A271 I276 V277 C278 P320I42-I274 HydrophobicContact CD1-CG2 4.31Å; I42-I274 HydrophobicContact CG2-CG2 4.15Å; M45-I274 HydrophobicContact CB-CD1 4.01Å; M45-I274 HydrophobicContact CB-CG1 3.95Å; M45-I274 HydrophobicContact CE-CG1 3.69Å; M45-I274 HydrophobicContact SD-CG1 4.21Å; V46-I274 HydrophobicContact CG2-CD1 4.22Å; L93-I274 HydrophobicContact CD1-CD1 4.05Å; L93-I274 HydrophobicContact CD2-CD1 3.83Å; L93-I274 HydrophobicContact CG-CD1 4.28Å; T97-I274 HydrophobicContact CG2-CB 3.82Å; T97-I274 HydrophobicContact CG2-CG2 3.67Å; D270-I274 WeakPolarHBondContact O-CG1 3.5Å; D270-I274 PolarHBondContact O-N 3.5Å; A271-I274 PolarHBondContact O-N 3.5Å; I274-I276 PolarHBondContact O-N 3.21Å; I274-V277 PolarHBondContact O-N 3.39Å; I274-C278 WeakPolarHBondContact O-CB 3.4Å; I274-C278 PolarHBondContact O-N 3.34Å; I274-C278 PolarHBondContact O-SG 3.12Å; I274-P320 HydrophobicContact CG2-CB 3.79Å; I274-P320 HydrophobicContact CG2-CG 4.13Å
275C81.7Confident77.5Confident0 Ų026.9 Ų26.90%016%0.155CC..Hα-helixtrans-56.1-49.7175.6166.90000112.3F100 S101 A271 L272 T273 V277 C278 Y279F100-C275 HydrophobicContact CB-CB 4.37Å; S101-C275 PolarHBondContact OG-SG 3.03Å; A271-C275 VanDerWaalsContact O-CB 3.24Å; A271-C275 WeakPolarHBondContact O-CB 3.3Å; A271-C275 PolarHBondContact O-N 3.5Å; L272-C275 WeakPolarHBondContact O-CB 3.45Å; L272-C275 PolarHBondContact O-N 3.36Å; T273-C275 VanDerWaalsContact C-N 3.32Å; T273-C275 PolarHBondContact O-N 3.35Å; C275-V277 PolarHBondContact O-N 2.84Å; C275-C278 PolarHBondContact O-N 3.32Å; C275-Y279 PolarHBondContact O-N 3.17Å; C275-Y279 VanDerWaalsContact O-N 3.09Å
276I73.8Confident77.5Confident58 Ų5821.3 Ų21.330%0.29712%0.121SC..Hα-helixtrans-62-46.3179.4-66.3168.2000110.7L272 T273 I274 Y279 C280 L441L272-I276 WeakPolarHBondContact O-CG1 3.03Å; L272-I276 PolarHBondContact O-N 3.09Å; T273-I276 PolarHBondContact O-N 3.29Å; I274-I276 PolarHBondContact O-N 3.21Å; I276-Y279 PolarHBondContact O-N 3.17Å; I276-C280 PolarHBondContact O-N 3.3Å; I276-C280 PolarHBondContact O-SG 3.47Å; I276-L441 HydrophobicContact CD1-CD1 4.33Å; I276-L441 HydrophobicContact CG2-CD1 4.22Å
277V72.7Confident77.2Confident8 Ų821 Ų215%0.04811%0.114CC..Hα-helixtrans-63.9-45.3-179.6177.60000111.2I42 M45 F128 T273 I274 C275 Y279 C280 V281I42-V277 HydrophobicContact CD1-CB 4.16Å; I42-V277 HydrophobicContact CD1-CG1 3.78Å; M45-V277 HydrophobicContact CE-CG2 4.17Å; M45-V277 HydrophobicContact SD-CG1 4.42Å; M45-V277 HydrophobicContact SD-CG2 4.39Å; F128-V277 HydrophobicContact CE1-CG1 3.87Å; F128-V277 HydrophobicContact CZ-CG1 3.84Å; F128-V277 HydrophobicContact CZ-CG2 4.45Å; T273-V277 WeakPolarHBondContact O-CG2 3.49Å; T273-V277 PolarHBondContact O-N 3.24Å; T273-V277 VanDerWaalsContact O-N 3.16Å; I274-V277 PolarHBondContact O-N 3.39Å; C275-V277 PolarHBondContact O-N 2.84Å; V277-Y279 VanDerWaalsContact C-N 3.29Å; V277-Y279 PolarHBondContact O-N 3.16Å; V277-C280 PolarHBondContact O-N 3.49Å; V277-V281 HydrophobicContact CG1-CG2 4.47Å; V277-V281 WeakPolarHBondContact O-CG2 3.22Å; V277-V281 PolarHBondContact O-N 3.45Å; V277-V281 VanDerWaalsContact O-N 3.09Å
278C80Confident76.5Confident0 Ų025.5 Ų25.50%014%0.137CC..Hα-helixtrans-56-43.5176.2-82.60000111.9I42 I274 C275 S282 L306 C322I42-C278 HydrophobicContact CD1-CB 4.5Å; I42-C278 WeakPolarHBondContact CD1-SG 3.38Å; I274-C278 WeakPolarHBondContact O-CB 3.4Å; I274-C278 PolarHBondContact O-N 3.34Å; I274-C278 PolarHBondContact O-SG 3.12Å; C275-C278 PolarHBondContact O-N 3.32Å; C278-S282 WeakPolarHBondContact O-CB 3.22Å; C278-S282 PolarHBondContact O-N 3.02Å; C278-S282 PolarHBondContact O-OG 3.48Å; C278-L306 HydrophobicContact CB-CD2 3.78Å; C278-C322 HydrophobicContact CB-CB 4.07Å
279Y78.6Confident76.4Confident21 Ų2122.8 Ų22.88%0.08212%0.123CC..Hα-helixtrans-67-47.8177.8176.4-119000112.6S117 C275 I276 V277 V281 S282 I283 S299 F303S117-Y279 VanDerWaalsContact CB-OH 3.32Å; S117-Y279 WeakPolarHBondContact CB-OH 3.14Å; C275-Y279 PolarHBondContact O-N 3.17Å; C275-Y279 VanDerWaalsContact O-N 3.09Å; I276-Y279 PolarHBondContact O-N 3.17Å; V277-Y279 VanDerWaalsContact C-N 3.29Å; V277-Y279 PolarHBondContact O-N 3.16Å; Y279-V281 VanDerWaalsContact C-N 3.3Å; Y279-V281 PolarHBondContact O-N 2.91Å; Y279-S282 PolarHBondContact O-N 3.22Å; Y279-I283 HydrophobicContact CE2-CB 4.21Å; Y279-I283 WeakPolarHBondContact O-CG2 3.43Å; Y279-I283 PolarHBondContact O-N 2.97Å; Y279-S299 PolarHBondContact OH-O 2.93Å; Y279-F303 HydrophobicContact CD1-CD2 4.02Å; Y279-F303 HydrophobicContact CD1-CE2 4.21Å; Y279-F303 HydrophobicContact CD2-CB 3.83Å; Y279-F303 AromaticContact CD2-CD2 3.25Å; Y279-F303 HydrophobicContact CD2-CD2 3.25Å; Y279-F303 HydrophobicContact CD2-CE2 4.11Å; Y279-F303 AromaticContact CD2-CG 3.89Å; Y279-F303 HydrophobicContact CD2-CG 3.89Å; Y279-F303 HydrophobicContact CE1-CD2 4.47Å; Y279-F303 HydrophobicContact CE2-CB 3.48Å; Y279-F303 VanDerWaalsContact CE2-CB 3.48Å; Y279-F303 AromaticContact CE2-CD2 3.78Å; Y279-F303 HydrophobicContact CE2-CD2 3.78Å; Y279-F303 AromaticContact CE2-CG 3.92Å; Y279-F303 HydrophobicContact CE2-CG 3.92Å; Y279-F303 AromaticContact CG-CD2 3.36Å; Y279-F303 HydrophobicContact CG-CD2 3.36Å; Y279-F303 AromaticContact CG-CE2 3.73Å; Y279-F303 HydrophobicContact CG-CE2 3.73Å; Y279-F303 HydrophobicContact CG-CG 4.25Å
280C73.2Confident76.7Confident30 Ų3020.2 Ų20.220%0.20311%0.108CC..Hα-helixtrans-56.6-43.8-179.2-67.80000111.9I120 I276 V277 S284I120-C280 HydrophobicContact CD1-CB 4.15Å; I120-C280 WeakPolarHBondContact CD1-SG 3.29Å; I276-C280 PolarHBondContact O-N 3.3Å; I276-C280 PolarHBondContact O-SG 3.47Å; V277-C280 PolarHBondContact O-N 3.49Å; C280-S284 VanDerWaalsContact O-CB 3.31Å; C280-S284 WeakPolarHBondContact O-CB 2.89Å; C280-S284 PolarHBondContact O-N 3.35Å; C280-S284 VanDerWaalsContact O-N 3.12Å; C280-S284 PolarHBondContact O-OG 2.75Å
281V73.4Confident76.4Confident9 Ų926.2 Ų26.26%0.05513%0.132CC..Hα-helixtrans-66.1-45.8178.5174.40000110.9F39 V277 Y279 S284 L285F39-V281 HydrophobicContact CE1-CG1 4.45Å; F39-V281 HydrophobicContact CE1-CG2 4.32Å; F39-V281 HydrophobicContact CE2-CG1 4.45Å; F39-V281 HydrophobicContact CZ-CG1 4.32Å; V277-V281 HydrophobicContact CG1-CG2 4.47Å; V277-V281 WeakPolarHBondContact O-CG2 3.22Å; V277-V281 PolarHBondContact O-N 3.45Å; V277-V281 VanDerWaalsContact O-N 3.09Å; Y279-V281 VanDerWaalsContact C-N 3.3Å; Y279-V281 PolarHBondContact O-N 2.91Å; V281-S284 PolarHBondContact O-N 2.93Å; V281-L285 HydrophobicContact CG1-CD1 4.25Å; V281-L285 PolarHBondContact O-N 3.24Å
282S80.3Confident76Confident1 Ų132.4 Ų32.41%0.00716%0.159CC..Hα-helixtrans-65-43.9-178.7-70.50000113.4N34 C278 Y279 A286 L306 A323N34-S282 PolarHBondContact ND2-O 2.98Å; C278-S282 WeakPolarHBondContact O-CB 3.22Å; C278-S282 PolarHBondContact O-N 3.02Å; C278-S282 PolarHBondContact O-OG 3.48Å; Y279-S282 PolarHBondContact O-N 3.22Å; S282-A286 WeakPolarHBondContact O-CB 3.45Å; S282-A286 PolarHBondContact O-N 3.43Å; S282-L306 VanDerWaalsContact OG-CD1 3.26Å; S282-L306 WeakPolarHBondContact OG-CD1 3.17Å; S282-A323 PolarHBondContact OG-N 3.2Å
283I77.2Confident76.2Confident2 Ų233.9 Ų33.91%0.0116%0.163CC..Hα-helixtrans-70.9-36.1-179.7-163.362.7000111.6Y279 L285 A286 Q287 V297 E302Y279-I283 HydrophobicContact CE2-CB 4.21Å; Y279-I283 WeakPolarHBondContact O-CG2 3.43Å; Y279-I283 PolarHBondContact O-N 2.97Å; I283-L285 PolarHBondContact O-N 2.83Å; I283-A286 PolarHBondContact O-N 2.72Å; I283-Q287 HydrophobicContact CG1-CG 4.3Å; I283-Q287 WeakPolarHBondContact O-CB 3.3Å; I283-Q287 WeakPolarHBondContact O-CG 3.46Å; I283-Q287 PolarHBondContact O-N 3.23Å; I283-V297 HydrophobicContact CD1-CG1 3.96Å; I283-E302 HydrophobicContact CD1-CB 4.21Å; I283-E302 HydrophobicContact CD1-CG 4.2Å
284S72Confident76.7Confident12 Ų1241.8 Ų41.88%0.08420%0.199CC..Hα-helixtrans-59.5-49.3175.8-61.30000111.2S125 C280 V281 Q287 I288S125-S284 PolarHBondContact OG-OG 3.23Å; C280-S284 VanDerWaalsContact O-CB 3.31Å; C280-S284 WeakPolarHBondContact O-CB 2.89Å; C280-S284 PolarHBondContact O-N 3.35Å; C280-S284 VanDerWaalsContact O-N 3.12Å; C280-S284 PolarHBondContact O-OG 2.75Å; V281-S284 PolarHBondContact O-N 2.93Å; S284-Q287 PolarHBondContact O-N 3.31Å; S284-I288 WeakPolarHBondContact O-CD1 3.26Å; S284-I288 VanDerWaalsContact O-CG1 3.23Å; S284-I288 WeakPolarHBondContact O-CG1 3.34Å; S284-I288 PolarHBondContact O-N 2.83Å
285L72.8Confident76.9Confident15 Ų1543 Ų438%0.07920%0.204CC..Hα-helixtrans-62.9-44.1176.6-89.3155.5000111.8V281 I283 Q287 I288 F289 A323 M325 T328V281-L285 HydrophobicContact CG1-CD1 4.25Å; V281-L285 PolarHBondContact O-N 3.24Å; I283-L285 PolarHBondContact O-N 2.83Å; L285-Q287 PolarHBondContact O-N 3.41Å; L285-I288 PolarHBondContact O-N 2.76Å; L285-F289 HydrophobicContact CD2-CE2 3.76Å; L285-F289 WeakPolarHBondContact O-CD2 2.98Å; L285-F289 PolarHBondContact O-N 2.67Å; L285-A323 HydrophobicContact CB-CB 4.27Å; L285-A323 HydrophobicContact CD1-CB 3.66Å; L285-M325 HydrophobicContact CD1-CB 4.29Å; L285-M325 HydrophobicContact CD2-CG 4.33Å; L285-T328 HydrophobicContact CD2-CG2 4.36Å
286A80.8Confident76.7Confident0 Ų051.9 Ų51.90%025%0.246CC..Hα-helixtrans-58.9-48.317800000111.5S282 I283 F289 A290 V297S282-A286 WeakPolarHBondContact O-CB 3.45Å; S282-A286 PolarHBondContact O-N 3.43Å; I283-A286 PolarHBondContact O-N 2.72Å; A286-F289 PolarHBondContact O-N 2.8Å; A286-A290 WeakPolarHBondContact O-CB 3.29Å; A286-A290 PolarHBondContact O-N 2.6Å; A286-V297 HydrophobicContact CB-CG1 4Å; A286-V297 HydrophobicContact CB-CG2 4.25Å
287Q72.5Confident76.9Confident58 Ų5850.4 Ų50.427%0.27124%0.239SC..Hα-helixtrans-64.3-40.9-179.9-74.5179.9-7.400112.9I283 S284 L285 F289 A290 K291I283-Q287 HydrophobicContact CG1-CG 4.3Å; I283-Q287 WeakPolarHBondContact O-CB 3.3Å; I283-Q287 WeakPolarHBondContact O-CG 3.46Å; I283-Q287 PolarHBondContact O-N 3.23Å; S284-Q287 PolarHBondContact O-N 3.31Å; L285-Q287 PolarHBondContact O-N 3.41Å; Q287-F289 VanDerWaalsContact C-N 3.3Å; Q287-F289 PolarHBondContact O-N 2.71Å; Q287-A290 PolarHBondContact O-N 3.15Å; Q287-K291 WeakPolarHBondContact O-CB 3.38Å; Q287-K291 PolarHBondContact O-N 3.48Å
288I69.8Low77.1Confident94 Ų9454 Ų5448%0.48226%0.258SS..Hα-helixtrans-56.2-46.8176.4-71164000110.5S284 L285 K292S284-I288 WeakPolarHBondContact O-CD1 3.26Å; S284-I288 VanDerWaalsContact O-CG1 3.23Å; S284-I288 WeakPolarHBondContact O-CG1 3.34Å; S284-I288 PolarHBondContact O-N 2.83Å; L285-I288 PolarHBondContact O-N 2.76Å; I288-K292 WeakPolarHBondContact O-CB 3.46Å; I288-K292 PolarHBondContact O-N 3.33Å
289F77.1Confident77Confident7 Ų755 Ų553%0.03127%0.265CS..Hα-helixtrans-77.6-31.6179.5-65.6-60.1000113.3H33 L285 A286 Q287 K291 K292 F293 Y295 T328 V332H33-F289 HydrophobicContact CB-CB 4.23Å; H33-F289 HydrophobicContact CB-CD2 4.42Å; H33-F289 HydrophobicContact CB-CG 4.31Å; L285-F289 HydrophobicContact CD2-CE2 3.76Å; L285-F289 WeakPolarHBondContact O-CD2 2.98Å; L285-F289 PolarHBondContact O-N 2.67Å; A286-F289 PolarHBondContact O-N 2.8Å; Q287-F289 VanDerWaalsContact C-N 3.3Å; Q287-F289 PolarHBondContact O-N 2.71Å; F289-K291 VanDerWaalsContact C-N 3.31Å; F289-K291 PolarHBondContact O-N 2.98Å; F289-K292 HydrophobicContact CD1-CD 4.35Å; F289-K292 PolarHBondContact O-N 3.33Å; F289-F293 HydrophobicContact CB-CD2 4.3Å; F289-F293 HydrophobicContact CD1-CD2 4.41Å; F289-F293 HydrophobicContact CD1-CE2 4.04Å; F289-F293 WeakPolarHBondContact O-CB 3.47Å; F289-F293 WeakPolarHBondContact O-CD2 3.39Å; F289-F293 PolarHBondContact O-N 2.63Å; F289-Y295 WeakPolarHBondContact O-CE1 3.43Å; F289-T328 HydrophobicContact CD2-CG2 3.93Å; F289-T328 HydrophobicContact CE2-CG2 3.36Å; F289-T328 HydrophobicContact CZ-CG2 4.12Å; F289-V332 HydrophobicContact CD1-CG1 4.25Å; F289-V332 HydrophobicContact CD1-CG2 3.86Å; F289-V332 HydrophobicContact CE1-CB 4.17Å; F289-V332 HydrophobicContact CE1-CG1 3.85Å; F289-V332 HydrophobicContact CE1-CG2 3.66Å; F289-V332 HydrophobicContact CE2-CG2 4.36Å; F289-V332 HydrophobicContact CG-CG2 4.3Å; F289-V332 HydrophobicContact CZ-CG2 3.93Å
290A80.3Confident76.7Confident9 Ų957.1 Ų57.17%0.07428%0.278CS..Hα-helixtrans-57.5-46.6171.300000110.9A286 Q287 H294 Y295 V297A286-A290 WeakPolarHBondContact O-CB 3.29Å; A286-A290 PolarHBondContact O-N 2.6Å; Q287-A290 PolarHBondContact O-N 3.15Å; A290-H294 WeakPolarHBondContact O-CA 3.36Å; A290-H294 PolarHBondContact O-N 3.2Å; A290-Y295 CarbonylContact C-O 3.6Å; A290-Y295 VanDerWaalsContact CA-CE1 3.47Å; A290-Y295 WeakPolarHBondContact CA-O 3.11Å; A290-Y295 HydrophobicContact CB-CD2 4.26Å; A290-Y295 HydrophobicContact CB-CE1 4.37Å; A290-Y295 HydrophobicContact CB-CE2 4.03Å; A290-Y295 WeakPolarHBondContact CB-O 3.41Å; A290-Y295 PolarHBondContact O-N 3.18Å; A290-V297 HydrophobicContact CB-CB 4.44Å; A290-V297 HydrophobicContact CB-CG2 3.64Å
291K72.9Confident77.2Confident158 Ų15857.9 Ų57.969%0.68728%0.278SS*.Hα-helixtrans-63.3-45.7174.6-120.9174.8-177.6172.30112.2Q287 F289 F293Q287-K291 WeakPolarHBondContact O-CB 3.38Å; Q287-K291 PolarHBondContact O-N 3.48Å; F289-K291 VanDerWaalsContact C-N 3.31Å; F289-K291 PolarHBondContact O-N 2.98Å; K291-F293 PolarHBondContact O-N 2.65Å
292K76.9Confident77.7Confident130 Ų13057.5 Ų57.557%0.56528%0.276SS*.Hα-helixtrans-65.1-36.2-177.8-172.9177-178.9-1790113.1I288 F289I288-K292 WeakPolarHBondContact O-CB 3.46Å; I288-K292 PolarHBondContact O-N 3.33Å; F289-K292 HydrophobicContact CD1-CD 4.35Å; F289-K292 PolarHBondContact O-N 3.33Å
293F82.6Confident77.8Confident84 Ų8457.7 Ų57.737%0.36828%0.276SS..THydrogen-bonded Turntrans-110.112.5-176-67.3-74.4000113.7H33 F289 K291 Y295 V332H33-F293 AromaticContact CD2-CE2 3.9Å; H33-F293 AromaticContact CE1-CD2 3.5Å; H33-F293 VanDerWaalsContact CE1-CD2 3.5Å; H33-F293 WeakPolarHBondContact CE1-CD2 3.23Å; H33-F293 AromaticContact CE1-CG 3.8Å; H33-F293 AromaticContact ND1-CD2 4Å; H33-F293 AromaticContact NE2-CD2 3.58Å; H33-F293 AromaticContact NE2-CE2 3.64Å; H33-F293 AromaticContact NE2-CG 3.95Å; F289-F293 HydrophobicContact CB-CD2 4.3Å; F289-F293 HydrophobicContact CD1-CD2 4.41Å; F289-F293 HydrophobicContact CD1-CE2 4.04Å; F289-F293 WeakPolarHBondContact O-CB 3.47Å; F289-F293 WeakPolarHBondContact O-CD2 3.39Å; F289-F293 PolarHBondContact O-N 2.63Å; K291-F293 PolarHBondContact O-N 2.65Å; F293-Y295 HydrophobicContact CB-CD1 3.83Å; F293-Y295 HydrophobicContact CB-CE1 3.92Å; F293-Y295 PolarHBondContact O-N 3.15Å; F293-V332 HydrophobicContact CE2-CG1 3.83Å; F293-V332 HydrophobicContact CE2-CG2 4.44Å; F293-V332 HydrophobicContact CZ-CG1 3.85Å
294H81.7Confident78Confident179 Ų17960.7 Ų60.783%0.82929%0.29SS*.THydrogen-bonded Turntrans5250.9175.9-55.2-65.2000114.8A290A290-H294 WeakPolarHBondContact O-CA 3.36Å; A290-H294 PolarHBondContact O-N 3.2Å
295Y85.5Confident78.8Confident29 Ų2960.1 Ų60.111%0.11429%0.286CS..  trans-127.6161168.869.9-86000110.7S31 H33 F289 A290 F293 V297S31-Y295 PolarHBondContact OG-OH 3.09Å; H33-Y295 AromaticContact CE1-CE1 3.61Å; H33-Y295 AromaticContact ND1-CE1 3.44Å; H33-Y295 WeakPolarHBondContact ND1-CE1 3.31Å; H33-Y295 AromaticContact ND1-CZ 3.64Å; H33-Y295 PolarHBondContact ND1-OH 3.04Å; F289-Y295 WeakPolarHBondContact O-CE1 3.43Å; A290-Y295 CarbonylContact C-O 3.6Å; A290-Y295 VanDerWaalsContact CA-CE1 3.47Å; A290-Y295 WeakPolarHBondContact CA-O 3.11Å; A290-Y295 HydrophobicContact CB-CD2 4.26Å; A290-Y295 HydrophobicContact CB-CE1 4.37Å; A290-Y295 HydrophobicContact CB-CE2 4.03Å; A290-Y295 WeakPolarHBondContact CB-O 3.41Å; A290-Y295 PolarHBondContact O-N 3.18Å; F293-Y295 HydrophobicContact CB-CD1 3.83Å; F293-Y295 HydrophobicContact CB-CE1 3.92Å; F293-Y295 PolarHBondContact O-N 3.15Å; Y295-V297 HydrophobicContact CD2-CG2 4.15Å; Y295-V297 HydrophobicContact CE2-CG2 3.54Å
296E76.7Confident79.5Confident186 Ų18659.4 Ų59.487%0.86928%0.282SS*.  trans-95.8147.9177.7-64.4-167.1163.400111.9
297V78.7Confident79.8Confident26 Ų2659.4 Ų59.416%0.15828%0.282CS..  trans-120.6128.5177.5168.40000108.2I283 A286 A290 Y295 E302I283-V297 HydrophobicContact CD1-CG1 3.96Å; A286-V297 HydrophobicContact CB-CG1 4Å; A286-V297 HydrophobicContact CB-CG2 4.25Å; A290-V297 HydrophobicContact CB-CB 4.44Å; A290-V297 HydrophobicContact CB-CG2 3.64Å; Y295-V297 HydrophobicContact CD2-CG2 4.15Å; Y295-V297 HydrophobicContact CE2-CG2 3.54Å; V297-E302 HydrophobicContact CG1-CG 3.65Å
298D77.1Confident80.6Confident85 Ų8558.3 Ų58.346%0.45528%0.279SS..  trans-85.2114.4174.4-177.8-13.4000109.7T30 D300 Q301 E302T30-D298 HydrophobicContact CG2-CB 4.22Å; D298-D300 VanDerWaalsContact C-N 3.35Å; D298-D300 PolarHBondContact O-N 3.22Å; D298-D300 PolarHBondContact OD1-N 3.4Å; D298-Q301 HydrophobicContact CB-CB 3.91Å; D298-Q301 PolarHBondContact O-N 3Å; D298-Q301 PolarHBondContact OD1-N 3.37Å; D298-E302 WeakPolarHBondContact O-CG 3.48Å; D298-E302 PolarHBondContact O-N 2.94Å
299S76.2Confident81.6Confident20 Ų2053.9 Ų53.914%0.1426%0.256CS..Hα-helixtrans-69.9-30.4-175.8-59.20000113S117 Y279 F303S117-S299 WeakPolarHBondContact OG-CB 3.09Å; S117-S299 PolarHBondContact OG-OG 3.35Å; Y279-S299 PolarHBondContact OH-O 2.93Å; S299-F303 PolarHBondContact O-N 3.37Å
300D74Confident82.2Confident66 Ų6653.5 Ų53.535%0.35326%0.255SS..Hα-helixtrans-76.2-35.7178.7-72.3-19.9000110.7R105 D298 F304R105-D300 PolarHBondContact NH1-O 3.01Å; D298-D300 VanDerWaalsContact C-N 3.35Å; D298-D300 PolarHBondContact O-N 3.22Å; D298-D300 PolarHBondContact OD1-N 3.4Å; D300-F304 PolarHBondContact O-N 2.95Å
301Q82.8Confident82.7Confident45 Ų4556.7 Ų56.721%0.2127%0.267CS..Hα-helixtrans-72.8-39.2175.7-172.359.119.500112L28 T30 R105 D298 F303 F304 A305L28-Q301 PolarHBondContact O-NE2 2.97Å; L28-Q301 VanDerWaalsContact O-NE2 3.14Å; T30-Q301 HydrophobicContact CG2-CB 3.74Å; T30-Q301 HydrophobicContact CG2-CG 3.46Å; T30-Q301 VanDerWaalsContact CG2-CG 3.46Å; R105-Q301 VanDerWaalsContact NH1-OE1 3.1Å; D298-Q301 HydrophobicContact CB-CB 3.91Å; D298-Q301 PolarHBondContact O-N 3Å; D298-Q301 PolarHBondContact OD1-N 3.37Å; Q301-F303 VanDerWaalsContact C-N 3.34Å; Q301-F303 PolarHBondContact O-N 3.33Å; Q301-F304 WeakPolarHBondContact O-CB 3.28Å; Q301-F304 PolarHBondContact O-N 3.05Å; Q301-A305 WeakPolarHBondContact O-CB 3.21Å; Q301-A305 PolarHBondContact O-N 3.04Å
302E83.9Confident83.6Confident1 Ų151.4 Ų51.41%0.00525%0.248CC..Hα-helixtrans-59.9-43.1173.1-78.7-56.5134.500112.3Y25 T30 S31 I283 V297 D298 F304 A305 L306Y25-E302 WeakPolarHBondContact CE2-OE2 2.94Å; Y25-E302 PolarHBondContact OH-OE1 2.95Å; Y25-E302 PolarHBondContact OH-OE2 3.46Å; T30-E302 WeakPolarHBondContact CA-OE1 3.28Å; T30-E302 PolarHBondContact N-OE1 2.78Å; T30-E302 WeakPolarHBondContact OG1-CG 3.46Å; T30-E302 PolarHBondContact OG1-OE1 3.47Å; S31-E302 PolarHBondContact N-OE1 3.32Å; I283-E302 HydrophobicContact CD1-CB 4.21Å; I283-E302 HydrophobicContact CD1-CG 4.2Å; V297-E302 HydrophobicContact CG1-CG 3.65Å; D298-E302 WeakPolarHBondContact O-CG 3.48Å; D298-E302 PolarHBondContact O-N 2.94Å; E302-F304 VanDerWaalsContact C-N 3.32Å; E302-F304 PolarHBondContact O-N 3.29Å; E302-A305 PolarHBondContact O-N 2.94Å; E302-L306 PolarHBondContact O-N 2.97Å
303F81.4Confident84.2Confident5 Ų545.2 Ų45.22%0.02222%0.221CC..Hα-helixtrans-64.6-38.9179-165-136.3000112.2L104 R105 F108 Y279 S299 Q301 G307L104-F303 HydrophobicContact CB-CE1 3.6Å; L104-F303 HydrophobicContact CB-CZ 3.82Å; L104-F303 HydrophobicContact CD1-CZ 4.32Å; R105-F303 HydrophobicContact CB-CD1 4.03Å; F108-F303 AromaticContact CD2-CD1 3.87Å; F108-F303 HydrophobicContact CD2-CD1 3.87Å; F108-F303 AromaticContact CD2-CE1 3.56Å; F108-F303 HydrophobicContact CD2-CE1 3.56Å; F108-F303 HydrophobicContact CD2-CZ 4.43Å; F108-F303 HydrophobicContact CE2-CD1 4.25Å; F108-F303 AromaticContact CE2-CE1 3.64Å; F108-F303 HydrophobicContact CE2-CE1 3.64Å; F108-F303 HydrophobicContact CE2-CZ 4.07Å; Y279-F303 HydrophobicContact CD1-CD2 4.02Å; Y279-F303 HydrophobicContact CD1-CE2 4.21Å; Y279-F303 HydrophobicContact CD2-CB 3.83Å; Y279-F303 AromaticContact CD2-CD2 3.25Å; Y279-F303 HydrophobicContact CD2-CD2 3.25Å; Y279-F303 HydrophobicContact CD2-CE2 4.11Å; Y279-F303 AromaticContact CD2-CG 3.89Å; Y279-F303 HydrophobicContact CD2-CG 3.89Å; Y279-F303 HydrophobicContact CE1-CD2 4.47Å; Y279-F303 HydrophobicContact CE2-CB 3.48Å; Y279-F303 VanDerWaalsContact CE2-CB 3.48Å; Y279-F303 AromaticContact CE2-CD2 3.78Å; Y279-F303 HydrophobicContact CE2-CD2 3.78Å; Y279-F303 AromaticContact CE2-CG 3.92Å; Y279-F303 HydrophobicContact CE2-CG 3.92Å; Y279-F303 AromaticContact CG-CD2 3.36Å; Y279-F303 HydrophobicContact CG-CD2 3.36Å; Y279-F303 AromaticContact CG-CE2 3.73Å; Y279-F303 HydrophobicContact CG-CE2 3.73Å; Y279-F303 HydrophobicContact CG-CG 4.25Å; S299-F303 PolarHBondContact O-N 3.37Å; Q301-F303 VanDerWaalsContact C-N 3.34Å; Q301-F303 PolarHBondContact O-N 3.33Å; F303-G307 PolarHBondContact O-N 3.2Å; F303-G307 VanDerWaalsContact O-N 3.12Å
304F83.3Confident84.6Confident66 Ų6641.2 Ų41.229%0.28920%0.203SC..Hα-helixtrans-63.7-50174.1-171.1-123.1000113D300 Q301 E302 L306 G307 V308D300-F304 PolarHBondContact O-N 2.95Å; Q301-F304 WeakPolarHBondContact O-CB 3.28Å; Q301-F304 PolarHBondContact O-N 3.05Å; E302-F304 VanDerWaalsContact C-N 3.32Å; E302-F304 PolarHBondContact O-N 3.29Å; F304-L306 PolarHBondContact O-N 3.34Å; F304-G307 PolarHBondContact O-N 3.42Å; F304-G307 VanDerWaalsContact O-N 3.08Å; F304-V308 HydrophobicContact CD1-CG2 4.38Å; F304-V308 HydrophobicContact CD2-CG2 4.12Å; F304-V308 HydrophobicContact CE1-CG2 4Å; F304-V308 HydrophobicContact CE2-CG2 3.72Å; F304-V308 HydrophobicContact CG-CG2 4.44Å; F304-V308 HydrophobicContact CZ-CG2 3.66Å; F304-V308 WeakPolarHBondContact O-CG2 3.4Å; F304-V308 PolarHBondContact O-N 2.98Å
305A88.1Confident85.1Confident0 Ų035 Ų350%017%0.174CC..Hα-helixtrans-57.3-44-178.500000109.7Y25 L28 Q301 E302 G307 C309Y25-A305 HydrophobicContact CD2-CB 4Å; Y25-A305 HydrophobicContact CE2-CB 4.02Å; L28-A305 HydrophobicContact CB-CB 3.66Å; Q301-A305 WeakPolarHBondContact O-CB 3.21Å; Q301-A305 PolarHBondContact O-N 3.04Å; E302-A305 PolarHBondContact O-N 2.94Å; A305-G307 PolarHBondContact O-N 3.45Å; A305-C309 WeakPolarHBondContact O-CB 3.14Å; A305-C309 PolarHBondContact O-N 3.33Å; A305-C309 PolarHBondContact O-SG 3.38Å
306L87.5Confident85.3Confident0 Ų035.6 Ų35.60%018%0.177CC..Hα-helixtrans-59.8-46.3175-129.789.9000112.5L36 C278 S282 E302 F304 C309 Q310L36-L306 HydrophobicContact CD1-CD1 4.1Å; L36-L306 HydrophobicContact CD2-CD1 3.96Å; L36-L306 HydrophobicContact CD2-CG 4.37Å; L36-L306 HydrophobicContact CG-CD1 4.43Å; C278-L306 HydrophobicContact CB-CD2 3.78Å; S282-L306 VanDerWaalsContact OG-CD1 3.26Å; S282-L306 WeakPolarHBondContact OG-CD1 3.17Å; E302-L306 PolarHBondContact O-N 2.97Å; F304-L306 PolarHBondContact O-N 3.34Å; L306-C309 PolarHBondContact O-N 2.95Å; L306-Q310 WeakPolarHBondContact O-CG 3.37Å; L306-Q310 PolarHBondContact O-N 3.5Å
307G87.8Confident85.8Confident0 Ų027.4 Ų27.40%014%0.143CC..Hα-helixtrans-64.7-44.1-178.300000113.4F303 F304 A305 Q310 F311F303-G307 PolarHBondContact O-N 3.2Å; F303-G307 VanDerWaalsContact O-N 3.12Å; F304-G307 PolarHBondContact O-N 3.42Å; F304-G307 VanDerWaalsContact O-N 3.08Å; A305-G307 PolarHBondContact O-N 3.45Å; G307-Q310 PolarHBondContact O-N 3.07Å; G307-F311 WeakPolarHBondContact O-CB 3.42Å; G307-F311 PolarHBondContact O-N 3.41Å
308V88.3Confident86.3Confident35 Ų3526.1 Ų26.121%0.21214%0.135CC..Hα-helixtrans-65.1-42.7175.5175.90000110.8L28 F304 Q310 F311 V312L28-V308 HydrophobicContact CD1-CB 3.87Å; L28-V308 HydrophobicContact CD1-CG1 3.66Å; F304-V308 HydrophobicContact CD1-CG2 4.38Å; F304-V308 HydrophobicContact CD2-CG2 4.12Å; F304-V308 HydrophobicContact CE1-CG2 4Å; F304-V308 HydrophobicContact CE2-CG2 3.72Å; F304-V308 HydrophobicContact CG-CG2 4.44Å; F304-V308 HydrophobicContact CZ-CG2 3.66Å; F304-V308 WeakPolarHBondContact O-CG2 3.4Å; F304-V308 PolarHBondContact O-N 2.98Å; V308-Q310 VanDerWaalsContact C-N 3.35Å; V308-Q310 PolarHBondContact O-N 3.49Å; V308-F311 PolarHBondContact O-N 3.43Å; V308-V312 HydrophobicContact CG1-CG2 4.24Å; V308-V312 WeakPolarHBondContact O-CG2 3.38Å; V308-V312 PolarHBondContact O-N 3.02Å
309C90.2Very high87Confident0 Ų022.1 Ų22.10%011%0.113CC..Hα-helixtrans-55.8-50.7175.3-71.90000110.6P21 L24 A305 L306 S313P21-C309 HydrophobicContact CB-CB 4.32Å; L24-C309 VanDerWaalsContact CB-SG 3.57Å; A305-C309 WeakPolarHBondContact O-CB 3.14Å; A305-C309 PolarHBondContact O-N 3.33Å; A305-C309 PolarHBondContact O-SG 3.38Å; L306-C309 PolarHBondContact O-N 2.95Å; C309-S313 WeakPolarHBondContact O-CB 3.5Å; C309-S313 PolarHBondContact O-N 3.03Å; C309-S313 PolarHBondContact O-OG 3.49Å
310Q91.2Very high87.6Confident0 Ų021.2 Ų21.20%011%0.107CC..Hα-helixtrans-66.1-42.7-179.9-68.4179.426.600113T94 T97 L306 G307 V308 V312 S313 S314 T321T94-Q310 HydrophobicContact CG2-CB 4.33Å; T97-Q310 PolarHBondContact OG1-OE1 3.23Å; L306-Q310 WeakPolarHBondContact O-CG 3.37Å; L306-Q310 PolarHBondContact O-N 3.5Å; G307-Q310 PolarHBondContact O-N 3.07Å; V308-Q310 VanDerWaalsContact C-N 3.35Å; V308-Q310 PolarHBondContact O-N 3.49Å; Q310-V312 PolarHBondContact O-N 2.8Å; Q310-S313 PolarHBondContact O-N 2.85Å; Q310-S314 PolarHBondContact O-N 3.01Å; Q310-T321 PolarHBondContact NE2-O 3.4Å
311F90.7Very high88.3Confident76 Ų7618 Ų1833%0.3339%0.09SC..Hα-helixtrans-60.3-45.9178.8174.8-93000112.7F95 V99 G307 V308 S314 F315F95-F311 HydrophobicContact CD2-CD2 4.04Å; F95-F311 HydrophobicContact CD2-CE2 4.01Å; F95-F311 AromaticContact CE2-CD2 3.78Å; F95-F311 HydrophobicContact CE2-CD2 3.78Å; F95-F311 AromaticContact CE2-CE2 3.3Å; F95-F311 HydrophobicContact CE2-CE2 3.3Å; F95-F311 HydrophobicContact CE2-CZ 4.14Å; F95-F311 AromaticContact CZ-CE2 3.97Å; F95-F311 HydrophobicContact CZ-CE2 3.97Å; V99-F311 HydrophobicContact CG2-CD2 3.87Å; V99-F311 HydrophobicContact CG2-CE2 4.08Å; G307-F311 WeakPolarHBondContact O-CB 3.42Å; G307-F311 PolarHBondContact O-N 3.41Å; V308-F311 PolarHBondContact O-N 3.43Å; F311-S314 PolarHBondContact O-OG 3.29Å; F311-F315 HydrophobicContact CD1-CE2 4.19Å; F311-F315 AromaticContact CE1-CE2 3.78Å; F311-F315 HydrophobicContact CE1-CE2 3.78Å; F311-F315 HydrophobicContact CE1-CZ 4.28Å; F311-F315 HydrophobicContact CE2-CZ 4.47Å; F311-F315 AromaticContact CZ-CE2 3.97Å; F311-F315 HydrophobicContact CZ-CE2 3.97Å; F311-F315 HydrophobicContact CZ-CZ 4Å; F311-F315 WeakPolarHBondContact O-CD2 3.23Å; F311-F315 VanDerWaalsContact O-CE2 3.28Å; F311-F315 WeakPolarHBondContact O-CE2 3.21Å
312V90.5Very high88.3Confident46 Ų4615.9 Ų15.928%0.2798%0.08SC..Hα-helixtrans-72.9-38.5179.2177.20000110.4L24 V308 Q310 S314 F315 F316L24-V312 HydrophobicContact CD1-CB 3.62Å; L24-V312 HydrophobicContact CD1-CG1 3.75Å; L24-V312 HydrophobicContact CD1-CG2 4.35Å; L24-V312 HydrophobicContact CD2-CG1 4.46Å; V308-V312 HydrophobicContact CG1-CG2 4.24Å; V308-V312 WeakPolarHBondContact O-CG2 3.38Å; V308-V312 PolarHBondContact O-N 3.02Å; Q310-V312 PolarHBondContact O-N 2.8Å; V312-S314 VanDerWaalsContact C-N 3.26Å; V312-S314 PolarHBondContact O-N 2.85Å; V312-F315 PolarHBondContact O-N 2.9Å; V312-F316 HydrophobicContact CG1-CE2 4.39Å; V312-F316 WeakPolarHBondContact O-CD2 3.44Å
313S90.3Very high88.1Confident0 Ų015.9 Ų15.90%08%0.08CC..Hα-helixtrans-66.3-26.7-179.5-53.20000112.9C309 Q310 F315 F316 C318C309-S313 WeakPolarHBondContact O-CB 3.5Å; C309-S313 PolarHBondContact O-N 3.03Å; C309-S313 PolarHBondContact O-OG 3.49Å; Q310-S313 PolarHBondContact O-N 2.85Å; S313-F315 PolarHBondContact O-N 3.47Å; S313-F316 PolarHBondContact O-N 2.89Å; S313-C318 VanDerWaalsContact O-CB 3.26Å; S313-C318 WeakPolarHBondContact O-CB 3.42Å; S313-C318 PolarHBondContact O-N 3.08Å; S313-C318 PolarHBondContact O-SG 3.42Å
314S91Very high87.8Confident0 Ų015.7 Ų15.70%08%0.079CC..Hα-helixtrans-63.9-29.7-178.264.20000113.3F95 Q310 F311 V312 F316 G317F95-S314 WeakPolarHBondContact CB-OG 3.41Å; Q310-S314 PolarHBondContact O-N 3.01Å; F311-S314 PolarHBondContact O-OG 3.29Å; V312-S314 VanDerWaalsContact C-N 3.26Å; V312-S314 PolarHBondContact O-N 2.85Å; S314-F316 PolarHBondContact O-N 3.03Å; S314-G317 PolarHBondContact O-N 2.93Å
315F91.7Very high87Confident48 Ų4815.7 Ų15.721%0.2118%0.081CC..THydrogen-bonded Turntrans-66.9-16.7176.2-62-72.4000112.9F95 P256 A257 L258 F311 V312 S313F95-F315 HydrophobicContact CD2-CZ 4.3Å; F95-F315 AromaticContact CE2-CZ 3.99Å; F95-F315 HydrophobicContact CE2-CZ 3.99Å; P256-F315 CarbonylContact C-O 3.59Å; P256-F315 VanDerWaalsContact CA-O 3.27Å; P256-F315 WeakPolarHBondContact CA-O 3.23Å; A257-F315 PolarHBondContact N-O 3.39Å; A257-F315 WeakPolarHBondContact O-CA 3.41Å; L258-F315 HydrophobicContact CD2-CD1 4.41Å; L258-F315 HydrophobicContact CD2-CE1 4.01Å; F311-F315 HydrophobicContact CD1-CE2 4.19Å; F311-F315 AromaticContact CE1-CE2 3.78Å; F311-F315 HydrophobicContact CE1-CE2 3.78Å; F311-F315 HydrophobicContact CE1-CZ 4.28Å; F311-F315 HydrophobicContact CE2-CZ 4.47Å; F311-F315 AromaticContact CZ-CE2 3.97Å; F311-F315 HydrophobicContact CZ-CE2 3.97Å; F311-F315 HydrophobicContact CZ-CZ 4Å; F311-F315 WeakPolarHBondContact O-CD2 3.23Å; F311-F315 VanDerWaalsContact O-CE2 3.28Å; F311-F315 WeakPolarHBondContact O-CE2 3.21Å; V312-F315 PolarHBondContact O-N 2.9Å; S313-F315 PolarHBondContact O-N 3.47Å
316F90.8Very high85.9Confident42 Ų4215.9 Ų15.918%0.1848%0.083CC..THydrogen-bonded Turntrans-109.222.5-178.2-57.9-79.9000112.6F20 P254 P256 V312 S313 S314 C318F20-F316 AromaticContact CD1-CD2 3.85Å; F20-F316 HydrophobicContact CD1-CD2 3.85Å; F20-F316 HydrophobicContact CD1-CE2 4.05Å; F20-F316 HydrophobicContact CD1-CG 4.29Å; F20-F316 HydrophobicContact CD2-CB 3.87Å; F20-F316 HydrophobicContact CD2-CD2 4.31Å; F20-F316 HydrophobicContact CD2-CG 4.15Å; F20-F316 HydrophobicContact CE1-CB 4.44Å; F20-F316 AromaticContact CE1-CD1 3.89Å; F20-F316 HydrophobicContact CE1-CD1 3.89Å; F20-F316 AromaticContact CE1-CD2 3.55Å; F20-F316 HydrophobicContact CE1-CD2 3.55Å; F20-F316 AromaticContact CE1-CE1 3.94Å; F20-F316 HydrophobicContact CE1-CE1 3.94Å; F20-F316 AromaticContact CE1-CE2 3.61Å; F20-F316 HydrophobicContact CE1-CE2 3.61Å; F20-F316 AromaticContact CE1-CG 3.7Å; F20-F316 HydrophobicContact CE1-CG 3.7Å; F20-F316 AromaticContact CE1-CZ 3.8Å; F20-F316 HydrophobicContact CE1-CZ 3.8Å; F20-F316 HydrophobicContact CE2-CB 3.39Å; F20-F316 AromaticContact CE2-CD1 3.95Å; F20-F316 HydrophobicContact CE2-CD1 3.95Å; F20-F316 HydrophobicContact CE2-CD2 4.06Å; F20-F316 AromaticContact CE2-CG 3.54Å; F20-F316 HydrophobicContact CE2-CG 3.54Å; F20-F316 HydrophobicContact CG-CD2 4.21Å; F20-F316 HydrophobicContact CG-CG 4.49Å; F20-F316 HydrophobicContact CZ-CB 3.71Å; F20-F316 AromaticContact CZ-CD1 3.33Å; F20-F316 HydrophobicContact CZ-CD1 3.33Å; F20-F316 AromaticContact CZ-CD2 3.66Å; F20-F316 HydrophobicContact CZ-CD2 3.66Å; F20-F316 AromaticContact CZ-CE1 3.76Å; F20-F316 HydrophobicContact CZ-CE1 3.76Å; F20-F316 HydrophobicContact CZ-CE2 4.07Å; F20-F316 AromaticContact CZ-CG 3.26Å; F20-F316 HydrophobicContact CZ-CG 3.26Å; F20-F316 HydrophobicContact CZ-CZ 4.11Å; P254-F316 HydrophobicContact CG-CB 4.1Å; P254-F316 WeakPolarHBondContact CG-O 3.43Å; P256-F316 HydrophobicContact CB-CD1 4.47Å; P256-F316 HydrophobicContact CB-CE1 4.02Å; P256-F316 HydrophobicContact CB-CZ 4.45Å; P256-F316 HydrophobicContact CG-CE1 4.46Å; V312-F316 HydrophobicContact CG1-CE2 4.39Å; V312-F316 WeakPolarHBondContact O-CD2 3.44Å; S313-F316 PolarHBondContact O-N 2.89Å; S314-F316 PolarHBondContact O-N 3.03Å; F316-C318 VanDerWaalsContact C-N 3.25Å; F316-C318 PolarHBondContact O-N 2.88Å
317G85.2Confident85.1Confident14 Ų1419.4 Ų19.414%0.14410%0.096CC..THydrogen-bonded Turntrans68.418.9179.500000114.4H13 S314H13-G317 PolarHBondContact CD2-O 3.26Å; S314-G317 PolarHBondContact O-N 2.93Å
318C90.7Very high84.4Confident0 Ų019.4 Ų19.40%010%0.096CC..PPolyproline II helixtrans-73.6151.8-179.3-63.70000112.5Y16 T17 T94 S313 F316Y16-C318 VanDerWaalsContact C-SG 3.52Å; T17-C318 HydrophobicContact CG2-CB 4.39Å; T94-C318 WeakPolarHBondContact CB-O 3.31Å; T94-C318 WeakPolarHBondContact CG2-O 3.31Å; T94-C318 PolarHBondContact OG1-O 3.02Å; S313-C318 VanDerWaalsContact O-CB 3.26Å; S313-C318 WeakPolarHBondContact O-CB 3.42Å; S313-C318 PolarHBondContact O-N 3.08Å; S313-C318 PolarHBondContact O-SG 3.42Å; F316-C318 VanDerWaalsContact C-N 3.25Å; F316-C318 PolarHBondContact O-N 2.88Å
319I90.6Very high83.2Confident0 Ų020.5 Ų20.50%010%0.1CC..PPolyproline II helixtrans-80.6153.9174.2-47.6169000108.2A7 L9 T17 V38 V46 V90 T321A7-I319 HydrophobicContact CB-CD1 3.97Å; A7-I319 HydrophobicContact CB-CG2 4.29Å; L9-I319 HydrophobicContact CD1-CD1 4.47Å; L9-I319 HydrophobicContact CD1-CG1 4.03Å; T17-I319 HydrophobicContact CG2-CB 4.16Å; T17-I319 VanDerWaalsContact CG2-O 3.28Å; T17-I319 WeakPolarHBondContact CG2-O 3.39Å; T17-I319 PolarHBondContact OG1-N 3.23Å; V38-I319 HydrophobicContact CG1-CD1 4.47Å; V46-I319 HydrophobicContact CB-CG2 4.39Å; V46-I319 HydrophobicContact CG1-CG2 4.23Å; V46-I319 HydrophobicContact CG2-CG2 3.94Å; V90-I319 HydrophobicContact CG1-CG1 4.39Å; I319-T321 WeakPolarHBondContact O-CG2 3.24Å
320P89.7Confident82Confident1 Ų123.7 Ų23.71%0.00612%0.119CC..PPolyproline II helixtrans-55.8141.9173.9-23.634000112.4I42 V46 T94 T97 I274I42-P320 HydrophobicContact CG2-CB 3.88Å; I42-P320 WeakPolarHBondContact CG2-O 3.37Å; V46-P320 HydrophobicContact CG2-CG 3.84Å; T94-P320 HydrophobicContact CG2-CG 4.4Å; T94-P320 WeakPolarHBondContact OG1-CD 3.2Å; T97-P320 HydrophobicContact CG2-CG 4.38Å; I274-P320 HydrophobicContact CG2-CB 3.79Å; I274-P320 HydrophobicContact CG2-CG 4.13Å
321T88.4Confident81.2Confident0 Ų024.8 Ų24.80%013%0.125CC..  trans-124.1146-164.173.90000112.4T17 P21 L36 Q310 I319T17-T321 HydrophobicContact CG2-CG2 3.32Å; P21-T321 HydrophobicContact CB-CG2 4.23Å; P21-T321 HydrophobicContact CG-CG2 3.57Å; L36-T321 WeakPolarHBondContact CD2-OG1 3.35Å; Q310-T321 PolarHBondContact NE2-O 3.4Å; I319-T321 WeakPolarHBondContact O-CG2 3.24Å
322C83.9Confident80.2Confident0 Ų021.8 Ų21.80%011%0.113CC..EExtended strand (participates in β ladder)trans-145.9-177.717272.70000110.2G37 F39 C278 A324G37-C322 PolarHBondContact N-O 3.43Å; G37-C322 PolarHBondContact O-N 3.28Å; F39-C322 WeakPolarHBondContact CB-SG 3.41Å; C278-C322 HydrophobicContact CB-CB 4.07Å; C322-A324 PolarHBondContact O-N 3.45Å
323A78.9Confident78.8Confident0 Ų022.6 Ų22.60%012%0.121CC..EExtended strand (participates in β ladder)trans-57.3122173.300000110.7N34 S282 L285 M325N34-A323 VanDerWaalsContact OD1-CB 3.23Å; N34-A323 WeakPolarHBondContact OD1-CB 2.67Å; S282-A323 PolarHBondContact OG-N 3.2Å; L285-A323 HydrophobicContact CB-CB 4.27Å; L285-A323 HydrophobicContact CD1-CB 3.66Å; A323-M325 PolarHBondContact O-N 3.27Å
324A74.9Confident77.8Confident1 Ų123.9 Ų23.91%0.00813%0.13CC..  trans-85.1108.3176.200000108.5S35 C322 G326 R327 T328S35-A324 PolarHBondContact O-N 3.39Å; C322-A324 PolarHBondContact O-N 3.45Å; A324-G326 PolarHBondContact O-N 3.05Å; A324-R327 HydrophobicContact CB-CB 4.11Å; A324-R327 HydrophobicContact CB-CG 4.05Å; A324-R327 PolarHBondContact O-N 3.28Å; A324-T328 VanDerWaalsContact O-CB 3.31Å; A324-T328 WeakPolarHBondContact O-CB 3.28Å; A324-T328 PolarHBondContact O-N 2.85Å; A324-T328 PolarHBondContact O-OG1 3.38Å
325M67.4Low76.9Confident66 Ų6626.2 Ų26.233%0.32515%0.154SC..Hα-helixtrans-56-48.2-174.6-171.6164.5-176.900112.8L285 A323 R327 T328 M329L285-M325 HydrophobicContact CD1-CB 4.29Å; L285-M325 HydrophobicContact CD2-CG 4.33Å; A323-M325 PolarHBondContact O-N 3.27Å; M325-R327 PolarHBondContact O-N 2.89Å; M325-T328 PolarHBondContact O-N 3.37Å; M325-M329 WeakPolarHBondContact O-CB 3.28Å; M325-M329 PolarHBondContact O-N 3.34Å
326G64.5Low76.1Confident4 Ų424.8 Ų24.84%0.04115%0.153CC..Hα-helixtrans-63.4-42.8-179.700000113.7A324 M329 V330A324-G326 PolarHBondContact O-N 3.05Å; G326-M329 PolarHBondContact O-N 3.01Å; G326-V330 WeakPolarHBondContact O-CG2 3.16Å; G326-V330 PolarHBondContact O-N 3.29Å
327R69.6Low75.7Confident74 Ų7432.4 Ų32.428%0.27918%0.18SC..Hα-helixtrans-64.8-43176.6-64.3-172.8-178.6-177.6-1.4112.4S18 A324 M325 M329 V330 L331 H376S18-R327 VanDerWaalsContact CB-NH1 3.34Å; S18-R327 PolarHBondContact OG-NH2 3.21Å; A324-R327 HydrophobicContact CB-CB 4.11Å; A324-R327 HydrophobicContact CB-CG 4.05Å; A324-R327 PolarHBondContact O-N 3.28Å; M325-R327 PolarHBondContact O-N 2.89Å; R327-M329 VanDerWaalsContact C-N 3.33Å; R327-V330 PolarHBondContact O-N 3.38Å; R327-L331 WeakPolarHBondContact O-CB 2.9Å; R327-L331 PolarHBondContact O-N 3.42Å; R327-H376 PolarHBondContact N-NE2 2.95Å
328T73.8Confident75.7Confident0 Ų034.6 Ų34.60%019%0.193CC..Hα-helixtrans-62.9-42.1178.2-610000110.6H33 S35 L285 F289 A324 M325 L331 V332H33-T328 WeakPolarHBondContact O-CG2 3.32Å; S35-T328 PolarHBondContact N-OG1 2.8Å; S35-T328 VanDerWaalsContact N-OG1 3.08Å; L285-T328 HydrophobicContact CD2-CG2 4.36Å; F289-T328 HydrophobicContact CD2-CG2 3.93Å; F289-T328 HydrophobicContact CE2-CG2 3.36Å; F289-T328 HydrophobicContact CZ-CG2 4.12Å; A324-T328 VanDerWaalsContact O-CB 3.31Å; A324-T328 WeakPolarHBondContact O-CB 3.28Å; A324-T328 PolarHBondContact O-N 2.85Å; A324-T328 PolarHBondContact O-OG1 3.38Å; M325-T328 PolarHBondContact O-N 3.37Å; T328-L331 PolarHBondContact O-N 3.05Å; T328-V332 VanDerWaalsContact O-CG2 3.28Å; T328-V332 WeakPolarHBondContact O-CG2 3.32Å; T328-V332 PolarHBondContact O-N 3.34Å
329M62.7Low75.5Confident58 Ų5835.6 Ų35.629%0.28620%0.198SC..Hα-helixtrans-66.9-41.9178.1-167.164.679.500112.4M325 G326 R327 L331 V332 S333M325-M329 WeakPolarHBondContact O-CB 3.28Å; M325-M329 PolarHBondContact O-N 3.34Å; G326-M329 PolarHBondContact O-N 3.01Å; R327-M329 VanDerWaalsContact C-N 3.33Å; M329-L331 VanDerWaalsContact C-N 3.33Å; M329-L331 PolarHBondContact O-N 3.36Å; M329-V332 PolarHBondContact O-N 3.38Å; M329-S333 VanDerWaalsContact O-CB 3.29Å; M329-S333 WeakPolarHBondContact O-CB 3.49Å; M329-S333 PolarHBondContact O-N 3.37Å; M329-S333 PolarHBondContact O-OG 3.44Å
330V65.9Low75.3Confident68 Ų6840.9 Ų40.941%0.41222%0.221SC..Hα-helixtrans-61.9-43.6175171.80000110.4G326 R327 V332 S333 S334G326-V330 WeakPolarHBondContact O-CG2 3.16Å; G326-V330 PolarHBondContact O-N 3.29Å; R327-V330 PolarHBondContact O-N 3.38Å; V330-V332 PolarHBondContact O-N 2.9Å; V330-S333 PolarHBondContact O-N 2.98Å; V330-S334 WeakPolarHBondContact O-CB 3.4Å; V330-S334 PolarHBondContact O-N 3.48Å; V330-S334 PolarHBondContact O-OG 3.31Å
331L73.7Confident75Confident23 Ų2342.4 Ų42.412%0.1223%0.232CC..Hα-helixtrans-58.8-45.8176.1176.161.8000112.2H33 R327 T328 M329 S334 G335 G336 S341H33-L331 WeakPolarHBondContact O-CD2 3.33Å; R327-L331 WeakPolarHBondContact O-CB 2.9Å; R327-L331 PolarHBondContact O-N 3.42Å; T328-L331 PolarHBondContact O-N 3.05Å; M329-L331 VanDerWaalsContact C-N 3.33Å; M329-L331 PolarHBondContact O-N 3.36Å; L331-S334 VanDerWaalsContact CA-OG 3.32Å; L331-S334 WeakPolarHBondContact CA-OG 3.46Å; L331-S334 PolarHBondContact O-N 2.6Å; L331-S334 PolarHBondContact O-OG 3.42Å; L331-S334 VanDerWaalsContact O-OG 3.05Å; L331-G335 PolarHBondContact O-N 3.32Å; L331-G336 PolarHBondContact O-N 3.47Å; L331-S341 VanDerWaalsContact CD1-OG 3.3Å; L331-S341 WeakPolarHBondContact CD1-OG 3.35Å; L331-S341 VanDerWaalsContact CD2-OG 3.29Å; L331-S341 WeakPolarHBondContact CD2-OG 3.19Å
332V69.5Low74.9Confident13 Ų1342.6 Ų42.68%0.07923%0.233CC..Hα-helixtrans-67-41.4179.4170.10000111.4H33 F289 F293 T328 M329 V330 S334 G335H33-V332 HydrophobicContact CB-CG2 3.82Å; F289-V332 HydrophobicContact CD1-CG1 4.25Å; F289-V332 HydrophobicContact CD1-CG2 3.86Å; F289-V332 HydrophobicContact CE1-CB 4.17Å; F289-V332 HydrophobicContact CE1-CG1 3.85Å; F289-V332 HydrophobicContact CE1-CG2 3.66Å; F289-V332 HydrophobicContact CE2-CG2 4.36Å; F289-V332 HydrophobicContact CG-CG2 4.3Å; F289-V332 HydrophobicContact CZ-CG2 3.93Å; F293-V332 HydrophobicContact CE2-CG1 3.83Å; F293-V332 HydrophobicContact CE2-CG2 4.44Å; F293-V332 HydrophobicContact CZ-CG1 3.85Å; T328-V332 VanDerWaalsContact O-CG2 3.28Å; T328-V332 WeakPolarHBondContact O-CG2 3.32Å; T328-V332 PolarHBondContact O-N 3.34Å; M329-V332 PolarHBondContact O-N 3.38Å; V330-V332 PolarHBondContact O-N 2.9Å; V332-S334 VanDerWaalsContact C-N 3.29Å; V332-S334 PolarHBondContact O-N 2.85Å; V332-G335 PolarHBondContact O-N 3.49Å; V332-G335 VanDerWaalsContact O-N 3.09Å
333S62.5Low75.1Confident63 Ų6344.2 Ų44.244%0.44124%0.241SC..Hα-helixtrans-69.1-31.2178.5-54.30000111.8D211 M329 V330 G335D211-S333 VanDerWaalsContact OD2-CB 3.25Å; D211-S333 WeakPolarHBondContact OD2-CB 3.42Å; M329-S333 VanDerWaalsContact O-CB 3.29Å; M329-S333 WeakPolarHBondContact O-CB 3.49Å; M329-S333 PolarHBondContact O-N 3.37Å; M329-S333 PolarHBondContact O-OG 3.44Å; V330-S333 PolarHBondContact O-N 2.98Å; S333-G335 PolarHBondContact O-N 3.33Å
334S67.6Low75.4Confident27 Ų2748.3 Ų48.319%0.18926%0.263CS..THydrogen-bonded Turntrans-78.13.3171.649.60000114.2P209 V330 L331 V332 G336P209-S334 VanDerWaalsContact CB-CA 3.45Å; P209-S334 WeakPolarHBondContact CG-O 3.45Å; V330-S334 WeakPolarHBondContact O-CB 3.4Å; V330-S334 PolarHBondContact O-N 3.48Å; V330-S334 PolarHBondContact O-OG 3.31Å; L331-S334 VanDerWaalsContact CA-OG 3.32Å; L331-S334 WeakPolarHBondContact CA-OG 3.46Å; L331-S334 PolarHBondContact O-N 2.6Å; L331-S334 PolarHBondContact O-OG 3.42Å; L331-S334 VanDerWaalsContact O-OG 3.05Å; V332-S334 VanDerWaalsContact C-N 3.29Å; V332-S334 PolarHBondContact O-N 2.85Å; S334-G336 VanDerWaalsContact C-N 3.32Å; S334-G336 PolarHBondContact O-N 2.82Å
335G73.2Confident75.9Confident49 Ų4950.4 Ų50.451%0.50528%0.28SS..THydrogen-bonded Turntrans75.816.4175.700000114.5L331 V332 S333 R337L331-G335 PolarHBondContact O-N 3.32Å; V332-G335 PolarHBondContact O-N 3.49Å; V332-G335 VanDerWaalsContact O-N 3.09Å; S333-G335 PolarHBondContact O-N 3.33Å; G335-R337 PolarHBondContact O-N 3.32Å
336G75.3Confident76.9Confident18 Ų1847.4 Ų47.419%0.18627%0.265CS..  trans-62.9127.8177.100000111.9H33 L331 S334H33-G336 PolarHBondContact CD2-O 3.4Å; H33-G336 PolarHBondContact NE2-O 2.88Å; L331-G336 PolarHBondContact O-N 3.47Å; S334-G336 VanDerWaalsContact C-N 3.32Å; S334-G336 PolarHBondContact O-N 2.82Å
337R81.7Confident78Confident202 Ų20251.4 Ų51.476%0.76229%0.285SS*.  trans-115.1-0.6-178-62.7-173.3-179177.8-0.5114.3R32 G335R32-R337 WeakPolarHBondContact CD-O 3.41Å; G335-R337 PolarHBondContact O-N 3.32Å
338S86.2Confident78.7Confident60 Ų6052 Ų5242%0.4229%0.293SS..SBendtrans-140.8157-17676.40000112.6R32 F340 S341R32-S338 CarbonylContact O-C 3.5Å; S338-F340 PolarHBondContact O-N 3.1Å; S338-F340 WeakPolarHBondContact OG-CB 3.45Å; S338-F340 PolarHBondContact OG-N 3.2Å; S338-S341 PolarHBondContact O-N 3.47Å; S338-S341 PolarHBondContact O-OG 3.21Å
339Q85Confident79.2Confident21 Ų2153.2 Ų53.210%0.09830%0.3CS..THydrogen-bonded Turntrans-63.6-14172.4-86.8-63.8-25.100113.3F26 S31 N34 S341 S342F26-Q339 HydrophobicContact CD2-CB 4.19Å; S31-Q339 WeakPolarHBondContact O-CG 3.19Å; S31-Q339 PolarHBondContact O-NE2 3.42Å; N34-Q339 PolarHBondContact O-NE2 2.68Å; Q339-S341 PolarHBondContact O-N 3.17Å; Q339-S342 PolarHBondContact O-N 2.94Å; Q339-S342 PolarHBondContact O-OG 3.45Å; Q339-S342 PolarHBondContact OE1-OG 3.5Å
340F86.9Confident80.4Confident111 Ų11153 Ų5349%0.48730%0.299SS..Hα-helixtrans-58.4-25.9178.2-153.3-95.9000112.8F26 S338 S342 L343 I344F26-F340 AromaticContact CE2-CD2 3.81Å; F26-F340 HydrophobicContact CE2-CD2 3.81Å; F26-F340 HydrophobicContact CZ-CD2 4.14Å; F26-F340 HydrophobicContact CZ-CE2 4.45Å; S338-F340 PolarHBondContact O-N 3.1Å; S338-F340 WeakPolarHBondContact OG-CB 3.45Å; S338-F340 PolarHBondContact OG-N 3.2Å; F340-S342 VanDerWaalsContact C-N 3.28Å; F340-S342 PolarHBondContact O-N 3.33Å; F340-L343 HydrophobicContact CD2-CD2 4.5Å; F340-L343 HydrophobicContact CE2-CD2 4.03Å; F340-L343 HydrophobicContact CZ-CD2 4.13Å; F340-L343 PolarHBondContact O-N 3.02Å; F340-I344 HydrophobicContact CD1-CD1 4.03Å; F340-I344 HydrophobicContact CD1-CG1 4.2Å; F340-I344 HydrophobicContact CE1-CD1 4.16Å; F340-I344 HydrophobicContact CE1-CG1 4.25Å; F340-I344 PolarHBondContact O-N 3.41Å
341S83.4Confident81.2Confident32 Ų3253.7 Ų53.722%0.22430%0.301CS..Hα-helixtrans-58.1-34.9171.458.10000114L331 S338 Q339 A345L331-S341 VanDerWaalsContact CD1-OG 3.3Å; L331-S341 WeakPolarHBondContact CD1-OG 3.35Å; L331-S341 VanDerWaalsContact CD2-OG 3.29Å; L331-S341 WeakPolarHBondContact CD2-OG 3.19Å; S338-S341 PolarHBondContact O-N 3.47Å; S338-S341 PolarHBondContact O-OG 3.21Å; Q339-S341 PolarHBondContact O-N 3.17Å; S341-A345 WeakPolarHBondContact O-CB 3.31Å; S341-A345 PolarHBondContact O-N 3.18Å
342S85.3Confident81.5Confident4 Ų454.2 Ų54.23%0.02830%0.304CS..Hα-helixtrans-71.7-34.7178.967.20000112Q339 F340 A345 S346Q339-S342 PolarHBondContact O-N 2.94Å; Q339-S342 PolarHBondContact O-OG 3.45Å; Q339-S342 PolarHBondContact OE1-OG 3.5Å; F340-S342 VanDerWaalsContact C-N 3.28Å; F340-S342 PolarHBondContact O-N 3.33Å; S342-A345 PolarHBondContact O-N 2.87Å; S342-S346 WeakPolarHBondContact O-CB 3.25Å; S342-S346 PolarHBondContact O-N 2.97Å; S342-S346 PolarHBondContact O-OG 2.87Å
343L88.9Confident82.2Confident34 Ų3453.8 Ų53.818%0.17830%0.302CS..Hα-helixtrans-62.8-49.5172.7-179.665.5000111.3L23 F26 F340 A345 S346 I347L23-L343 HydrophobicContact CD1-CD1 3.53Å; F26-L343 HydrophobicContact CD2-CB 4.15Å; F26-L343 HydrophobicContact CE1-CD2 4.41Å; F26-L343 HydrophobicContact CG-CB 4.25Å; F26-L343 HydrophobicContact CZ-CD2 4.34Å; F340-L343 HydrophobicContact CD2-CD2 4.5Å; F340-L343 HydrophobicContact CE2-CD2 4.03Å; F340-L343 HydrophobicContact CZ-CD2 4.13Å; F340-L343 PolarHBondContact O-N 3.02Å; L343-A345 VanDerWaalsContact C-N 3.34Å; L343-A345 PolarHBondContact O-N 2.85Å; L343-S346 WeakPolarHBondContact O-CB 3.46Å; L343-S346 PolarHBondContact O-N 3Å; L343-S346 VanDerWaalsContact O-N 3.15Å; L343-I347 HydrophobicContact CG-CD1 4.3Å; L343-I347 WeakPolarHBondContact O-CG1 3.3Å; L343-I347 PolarHBondContact O-N 3.44Å
344I86.1Confident83.2Confident87 Ų8756.8 Ų56.845%0.44630%0.304SS..Hα-helixtrans-61.4-44.2178.3-64.3-176.2000110.8F340 S346 I347 I348F340-I344 HydrophobicContact CD1-CD1 4.03Å; F340-I344 HydrophobicContact CD1-CG1 4.2Å; F340-I344 HydrophobicContact CE1-CD1 4.16Å; F340-I344 HydrophobicContact CE1-CG1 4.25Å; F340-I344 PolarHBondContact O-N 3.41Å; I344-S346 VanDerWaalsContact C-N 3.27Å; I344-S346 PolarHBondContact O-N 3.08Å; I344-I347 PolarHBondContact O-N 2.87Å; I344-I348 HydrophobicContact CG2-CD1 4.14Å; I344-I348 WeakPolarHBondContact O-CG1 3.42Å; I344-I348 PolarHBondContact O-N 3.45Å; I344-I348 VanDerWaalsContact O-N 3.07Å
345A83.8Confident83.8Confident45 Ų4564.8 Ų64.837%0.37233%0.331SS..Hα-helixtrans-58.7-40.417600000111.9S341 S342 L343 I348 V349S341-A345 WeakPolarHBondContact O-CB 3.31Å; S341-A345 PolarHBondContact O-N 3.18Å; S342-A345 PolarHBondContact O-N 2.87Å; L343-A345 VanDerWaalsContact C-N 3.34Å; L343-A345 PolarHBondContact O-N 2.85Å; A345-I348 PolarHBondContact O-N 3.08Å; A345-V349 WeakPolarHBondContact O-CG2 3.33Å; A345-V349 PolarHBondContact O-N 3.39Å
346S88.4Confident83.8Confident2 Ų266.1 Ų66.11%0.01433%0.325CS..Hα-helixtrans-64.9-42178.3-54.60000111.9F19 L23 S342 L343 I344 I348 V349 L350F19-S346 VanDerWaalsContact CD2-O 3.28Å; F19-S346 WeakPolarHBondContact CD2-O 3.35Å; L23-S346 PolarHBondContact N-OG 3.41Å; S342-S346 WeakPolarHBondContact O-CB 3.25Å; S342-S346 PolarHBondContact O-N 2.97Å; S342-S346 PolarHBondContact O-OG 2.87Å; L343-S346 WeakPolarHBondContact O-CB 3.46Å; L343-S346 PolarHBondContact O-N 3Å; L343-S346 VanDerWaalsContact O-N 3.15Å; I344-S346 VanDerWaalsContact C-N 3.27Å; I344-S346 PolarHBondContact O-N 3.08Å; S346-I348 VanDerWaalsContact C-N 3.34Å; S346-I348 PolarHBondContact O-N 3.25Å; S346-V349 PolarHBondContact O-N 3.11Å; S346-L350 PolarHBondContact O-N 2.95Å
347I88.2Confident83.5Confident89 Ų8965.2 Ų65.246%0.45632%0.316SS..Hα-helixtrans-61.5-42.4175.9-66.6166.8000111.1L343 I344 L350 L351L343-I347 HydrophobicContact CG-CD1 4.3Å; L343-I347 WeakPolarHBondContact O-CG1 3.3Å; L343-I347 PolarHBondContact O-N 3.44Å; I344-I347 PolarHBondContact O-N 2.87Å; I347-L350 WeakPolarHBondContact O-CB 3.38Å; I347-L350 PolarHBondContact O-N 3.48Å; I347-L351 PolarHBondContact O-N 3.48Å; I347-L351 VanDerWaalsContact O-N 3.1Å
348I84.5Confident83.2Confident87 Ų8758.2 Ų58.245%0.44630%0.297SS..Hα-helixtrans-64.6-44177.2-66.9173.2000110.7I344 A345 S346 L350 L351 V352I344-I348 HydrophobicContact CG2-CD1 4.14Å; I344-I348 WeakPolarHBondContact O-CG1 3.42Å; I344-I348 PolarHBondContact O-N 3.45Å; I344-I348 VanDerWaalsContact O-N 3.07Å; A345-I348 PolarHBondContact O-N 3.08Å; S346-I348 VanDerWaalsContact C-N 3.34Å; S346-I348 PolarHBondContact O-N 3.25Å; I348-L350 VanDerWaalsContact C-N 3.25Å; I348-L350 PolarHBondContact O-N 2.94Å; I348-L351 PolarHBondContact O-N 3.17Å; I348-V352 WeakPolarHBondContact O-CG2 3.35Å; I348-V352 PolarHBondContact O-N 3.35Å
349V84Confident82.3Confident25 Ų2561 Ų6115%0.15231%0.306CS..Hα-helixtrans-62.1-35.9177174.90000111.2L15 F19 A345 S346 V352 I353L15-V349 HydrophobicContact CD2-CG1 4.15Å; F19-V349 HydrophobicContact CB-CG1 3.92Å; A345-V349 WeakPolarHBondContact O-CG2 3.33Å; A345-V349 PolarHBondContact O-N 3.39Å; S346-V349 PolarHBondContact O-N 3.11Å; V349-V352 WeakPolarHBondContact O-CB 3.38Å; V349-V352 PolarHBondContact O-N 3.47Å; V349-I353 HydrophobicContact CG1-CD1 4.04Å; V349-I353 HydrophobicContact CG1-CG1 4.49Å; V349-I353 WeakPolarHBondContact O-CG1 3.1Å; V349-I353 PolarHBondContact O-N 3.39Å
350L87.7Confident81.4Confident52 Ų5260.8 Ų60.827%0.27231%0.306SS..Hα-helixtrans-62.8-44.2175.1-174.867.7000112.1F19 I253 S346 I347 I348 V352 I353 Y354F19-L350 HydrophobicContact CD2-CB 4.21Å; F19-L350 HydrophobicContact CE1-CD1 4.34Å; F19-L350 HydrophobicContact CE2-CB 3.94Å; F19-L350 HydrophobicContact CE2-CD1 4.19Å; F19-L350 HydrophobicContact CE2-CD2 4.41Å; F19-L350 HydrophobicContact CE2-CG 4.41Å; F19-L350 HydrophobicContact CZ-CD1 4Å; F19-L350 HydrophobicContact CZ-CD2 4.47Å; I253-L350 HydrophobicContact CD1-CD1 3.81Å; I253-L350 HydrophobicContact CG1-CD1 3.93Å; S346-L350 PolarHBondContact O-N 2.95Å; I347-L350 WeakPolarHBondContact O-CB 3.38Å; I347-L350 PolarHBondContact O-N 3.48Å; I348-L350 VanDerWaalsContact C-N 3.25Å; I348-L350 PolarHBondContact O-N 2.94Å; L350-V352 VanDerWaalsContact C-N 3.3Å; L350-V352 PolarHBondContact O-N 3.45Å; L350-I353 PolarHBondContact O-N 3.2Å; L350-Y354 HydrophobicContact CD1-CD2 4.35Å; L350-Y354 HydrophobicContact CD1-CE2 4.38Å; L350-Y354 PolarHBondContact O-N 3.19Å; L350-Y354 VanDerWaalsContact O-N 3.17Å
351L83.7Confident80.5Confident84 Ų8458.9 Ų58.944%0.4430%0.298SS..Hα-helixtrans-61.8-39.2174.1-73.4169.1000111.8I347 I348 Y354 W355I347-L351 PolarHBondContact O-N 3.48Å; I347-L351 VanDerWaalsContact O-N 3.1Å; I348-L351 PolarHBondContact O-N 3.17Å; L351-Y354 PolarHBondContact O-N 3.04Å; L351-W355 HydrophobicContact CD2-CE3 4.24Å; L351-W355 HydrophobicContact CD2-CH2 4.44Å; L351-W355 HydrophobicContact CD2-CZ3 4.11Å; L351-W355 PolarHBondContact O-N 3.16Å
352V80.4Confident79.6Confident33 Ų3359.8 Ų59.820%0.231%0.305CS..Iπ-helixtrans-61.5-44.3175.5171.40000110.9L15 I348 V349 L350 Y354 I356 G357L15-V352 HydrophobicContact CD2-CG1 4.08Å; I348-V352 WeakPolarHBondContact O-CG2 3.35Å; I348-V352 PolarHBondContact O-N 3.35Å; V349-V352 WeakPolarHBondContact O-CB 3.38Å; V349-V352 PolarHBondContact O-N 3.47Å; L350-V352 VanDerWaalsContact C-N 3.3Å; L350-V352 PolarHBondContact O-N 3.45Å; V352-Y354 VanDerWaalsContact C-N 3.31Å; V352-Y354 PolarHBondContact O-N 2.92Å; V352-I356 HydrophobicContact CG1-CB 4.24Å; V352-I356 HydrophobicContact CG2-CD1 4.25Å; V352-I356 CarbonylContact O-C 3.48Å; V352-I356 PolarHBondContact O-N 3.42Å; V352-G357 PolarHBondContact O-N 3.08Å
353I83.3Confident78.5Confident4 Ų460.3 Ų60.32%0.02131%0.307CS..Iπ-helixtrans-61.5-38.8178.9-69.9163.2000111.6L15 Y16 F19 G252 V349 L350L15-I353 HydrophobicContact CB-CD1 4.23Å; L15-I353 HydrophobicContact CB-CG1 3.99Å; L15-I353 HydrophobicContact CD1-CG1 4.16Å; L15-I353 HydrophobicContact CD2-CG1 4.37Å; L15-I353 HydrophobicContact CG-CG1 4.42Å; Y16-I353 HydrophobicContact CD1-CD1 4.04Å; Y16-I353 HydrophobicContact CE1-CD1 4.36Å; Y16-I353 HydrophobicContact CE1-CG2 4.19Å; F19-I353 HydrophobicContact CB-CD1 4.42Å; G252-I353 WeakPolarHBondContact O-CG2 3.47Å; V349-I353 HydrophobicContact CG1-CD1 4.04Å; V349-I353 HydrophobicContact CG1-CG1 4.49Å; V349-I353 WeakPolarHBondContact O-CG1 3.1Å; V349-I353 PolarHBondContact O-N 3.39Å; L350-I353 PolarHBondContact O-N 3.2Å
354Y83.7Confident77.1Confident126 Ų12658.8 Ų58.849%0.49430%0.3SS..Iπ-helixtrans-81.3-42.8-177.2-97.4-84000114.3I253 L350 L351 V352I253-Y354 HydrophobicContact CG1-CE2 4.12Å; L350-Y354 HydrophobicContact CD1-CD2 4.35Å; L350-Y354 HydrophobicContact CD1-CE2 4.38Å; L350-Y354 PolarHBondContact O-N 3.19Å; L350-Y354 VanDerWaalsContact O-N 3.17Å; L351-Y354 PolarHBondContact O-N 3.04Å; V352-Y354 VanDerWaalsContact C-N 3.31Å; V352-Y354 PolarHBondContact O-N 2.92Å
355W80.2Confident75.9Confident196 Ų19657.7 Ų57.774%0.74229%0.293SS*.Iπ-helixtrans-110.2-35.2-169.6-68.9-15.2000114.4L351L351-W355 HydrophobicContact CD2-CE3 4.24Å; L351-W355 HydrophobicContact CD2-CH2 4.44Å; L351-W355 HydrophobicContact CD2-CZ3 4.11Å; L351-W355 PolarHBondContact O-N 3.16Å
356I73.3Confident74.5Confident76 Ų7656.5 Ų56.539%0.3928%0.28SS..Iπ-helixtrans-96-25.1-173.7-59.6179.7000111.6V352 L359 L360V352-I356 HydrophobicContact CG1-CB 4.24Å; V352-I356 HydrophobicContact CG2-CD1 4.25Å; V352-I356 CarbonylContact O-C 3.48Å; V352-I356 PolarHBondContact O-N 3.42Å; I356-L359 WeakPolarHBondContact O-CB 3.27Å; I356-L359 PolarHBondContact O-N 3.49Å; I356-L360 HydrophobicContact CG2-CD1 4.24Å; I356-L360 HydrophobicContact CG2-CG 4.35Å
357G69.7Low73Confident0 Ų058 Ų580%029%0.286CS..G310 helixtrans-46.8-52.8-17900000114.7V352 L359 L360V352-G357 PolarHBondContact O-N 3.08Å; G357-L359 VanDerWaalsContact C-N 3.26Å; G357-L359 PolarHBondContact O-N 2.94Å; G357-L360 WeakPolarHBondContact O-CB 3.34Å; G357-L360 PolarHBondContact O-N 3.47Å; G357-L360 VanDerWaalsContact O-N 3.08Å
358P74Confident71.3Confident55 Ų5554.2 Ų54.236%0.35727%0.266SS..G310 helixtrans-63.1-28.6-179.5-23.634.1000114L360 E361P358-L360 PolarHBondContact O-N 3.09Å; P358-E361 WeakPolarHBondContact O-CB 3.22Å; P358-E361 PolarHBondContact O-N 2.52Å
359L67Low69.6Low118 Ų11851.5 Ų51.562%0.61825%0.251SS*.G310 helixtrans-70.2-15.2177.7-75.3151.7000112.8I356 G357I356-L359 WeakPolarHBondContact O-CB 3.27Å; I356-L359 PolarHBondContact O-N 3.49Å; G357-L359 VanDerWaalsContact C-N 3.26Å; G357-L359 PolarHBondContact O-N 2.94Å
360L68Low68Low16 Ų1651.2 Ų51.28%0.08425%0.249CC..G310 helixtrans-94.7-0.6-177.2-60.8172.1000113.4M1 I226 I249 I356 G357 P358 L363M1-L360 HydrophobicContact CE-CD1 3.3Å; M1-L360 HydrophobicContact SD-CD1 4.09Å; I226-L360 HydrophobicContact CD1-CD2 4.17Å; I226-L360 HydrophobicContact CG2-CD2 3.92Å; I249-L360 HydrophobicContact CD1-CB 3.86Å; I356-L360 HydrophobicContact CG2-CD1 4.24Å; I356-L360 HydrophobicContact CG2-CG 4.35Å; G357-L360 WeakPolarHBondContact O-CB 3.34Å; G357-L360 PolarHBondContact O-N 3.47Å; G357-L360 VanDerWaalsContact O-N 3.08Å; P358-L360 PolarHBondContact O-N 3.09Å; L360-L363 WeakPolarHBondContact O-CB 3.4Å; L360-L363 PolarHBondContact O-N 2.75Å
361E67.1Low66.2Low71 Ų7150.8 Ų50.833%0.33224%0.244SC..THydrogen-bonded Turntrans-65.4-38.6-177.7-144.1-177.7170.500113G247 H248 P358 L363G247-E361 WeakPolarHBondContact O-CG 3.18Å; H248-E361 WeakPolarHBondContact CA-OE1 3.18Å; H248-E361 WeakPolarHBondContact CB-OE1 3.48Å; H248-E361 IonicContact CD2-OE1 3.46Å; H248-E361 PolarHBondContact CD2-OE1 2.76Å; H248-E361 IonicContact CG-OE1 2.67Å; H248-E361 VanDerWaalsContact CG-OE1 3.28Å; P358-E361 WeakPolarHBondContact O-CB 3.22Å; P358-E361 PolarHBondContact O-N 2.52Å; E361-L363 VanDerWaalsContact C-N 3.26Å; E361-L363 PolarHBondContact O-N 3.16Å
362S63.7Low64.4Low52 Ų5249.5 Ų49.536%0.36424%0.235SC..THydrogen-bonded Turntrans-85.25.8-177.243.90000113.9T230T230-S362 VanDerWaalsContact CG2-OG 3.29Å; T230-S362 WeakPolarHBondContact CG2-OG 3.43Å
363L62.4Low62.8Low15 Ų1549.2 Ų49.28%0.07924%0.235CC..  trans-72.3131.7180-154.984.4000109.8I226 V246 L360 E361 W367 K368I226-L363 HydrophobicContact CG2-CD1 4.09Å; V246-L363 HydrophobicContact CG2-CB 3.86Å; V246-L363 HydrophobicContact CG2-CD2 4.41Å; V246-L363 VanDerWaalsContact CG2-O 3.28Å; V246-L363 WeakPolarHBondContact CG2-O 3.31Å; V246-L363 PolarHBondContact N-O 3.02Å; L360-L363 WeakPolarHBondContact O-CB 3.4Å; L360-L363 PolarHBondContact O-N 2.75Å; E361-L363 VanDerWaalsContact C-N 3.26Å; E361-L363 PolarHBondContact O-N 3.16Å; L363-W367 HydrophobicContact CG-CB 4.35Å; L363-K368 HydrophobicContact CD2-CB 4.18Å; L363-K368 HydrophobicContact CD2-CG 4.17Å
364P61.1Low60.8Low2 Ų251.4 Ų51.41%0.01324%0.244CC..BIsolated β-bridgetrans-67.4140.2170.3-16.529.2000110.7V366 W367 K368P364-V366 PolarHBondContact O-N 3.04Å; P364-W367 WeakPolarHBondContact O-CB 3.06Å; P364-W367 PolarHBondContact O-N 3.22Å; P364-K368 PolarHBondContact O-N 3.45Å
365E59.1Low58.8Low64 Ų6449.8 Ų49.830%0.29924%0.243SC..Hα-helixtrans-57-34.9180-78.5-151.2129.900112.6D244 W367 K368 E369D244-E365 HydrophobicContact CB-CG 4.27Å; D244-E365 WeakPolarHBondContact O-CB 3.19Å; D244-E365 PolarHBondContact O-N 3.39Å; E365-W367 VanDerWaalsContact C-N 3.3Å; E365-W367 PolarHBondContact O-N 3.12Å; E365-K368 WeakPolarHBondContact O-CA 3.27Å; E365-K368 WeakPolarHBondContact O-CB 3.16Å; E365-K368 PolarHBondContact O-N 3.39Å; E365-E369 PolarHBondContact O-N 2.71Å
366V54.9Low57Low19 Ų1941.5 Ų41.512%0.11521%0.213CC..Hα-helixtrans-56.9-44.5175.9-179.50000110.8M179 M243 P364 K368 E369 I370M179-V366 HydrophobicContact CB-CG1 4.29Å; M243-V366 HydrophobicContact SD-CG2 3.73Å; P364-V366 PolarHBondContact O-N 3.04Å; V366-K368 VanDerWaalsContact C-N 3.34Å; V366-K368 PolarHBondContact O-N 3.39Å; V366-E369 PolarHBondContact O-N 3.44Å; V366-I370 HydrophobicContact CG1-CD1 3.54Å; V366-I370 WeakPolarHBondContact O-CB 3.06Å; V366-I370 WeakPolarHBondContact O-CD1 3.39Å; V366-I370 WeakPolarHBondContact O-CG1 3.5Å; V366-I370 PolarHBondContact O-N 3.29Å; V366-I370 VanDerWaalsContact O-N 3.13Å
367W56.5Low55.5Low35 Ų3538.6 Ų38.613%0.13320%0.202CC..Hα-helixtrans-69.4-31.6176-78.682.5000112.4M179 L225 L363 P364 E365 E369 Y371M179-W367 HydrophobicContact CE-CZ2 3.41Å; M179-W367 VanDerWaalsContact CE-CZ2 3.41Å; L225-W367 HydrophobicContact CD2-CE3 4.39Å; L225-W367 HydrophobicContact CD2-CZ3 3.79Å; L225-W367 HydrophobicContact CG-CZ3 3.88Å; L363-W367 HydrophobicContact CG-CB 4.35Å; P364-W367 WeakPolarHBondContact O-CB 3.06Å; P364-W367 PolarHBondContact O-N 3.22Å; E365-W367 VanDerWaalsContact C-N 3.3Å; E365-W367 PolarHBondContact O-N 3.12Å; W367-E369 VanDerWaalsContact C-N 3.34Å; W367-E369 PolarHBondContact O-N 3.02Å; W367-Y371 WeakPolarHBondContact O-CB 3.46Å; W367-Y371 PolarHBondContact O-N 2.91Å
368K52.6Low54.2Low8 Ų840.1 Ų40.14%0.03521%0.211CC..Hα-helixtrans-60.7-41.2177.6-145.5-163.9-151.5157.80112A11 V246 L363 P364 E365 V366 F372A11-K368 VanDerWaalsContact CB-NZ 3.35Å; V246-K368 VanDerWaalsContact CG1-CE 3.45Å; V246-K368 VanDerWaalsContact CG1-NZ 3.27Å; V246-K368 HydrophobicContact CG2-CB 4.23Å; V246-K368 HydrophobicContact CG2-CD 3.45Å; V246-K368 VanDerWaalsContact CG2-CD 3.45Å; V246-K368 HydrophobicContact CG2-CG 3.79Å; V246-K368 VanDerWaalsContact CG2-NZ 3.28Å; L363-K368 HydrophobicContact CD2-CB 4.18Å; L363-K368 HydrophobicContact CD2-CG 4.17Å; P364-K368 PolarHBondContact O-N 3.45Å; E365-K368 WeakPolarHBondContact O-CA 3.27Å; E365-K368 WeakPolarHBondContact O-CB 3.16Å; E365-K368 PolarHBondContact O-N 3.39Å; V366-K368 VanDerWaalsContact C-N 3.34Å; V366-K368 PolarHBondContact O-N 3.39Å; K368-F372 WeakPolarHBondContact O-CB 3.17Å; K368-F372 PolarHBondContact O-N 3.41Å
369E49.8Very low52.7Low30 Ų3039.5 Ų39.514%0.1420%0.203CC..Hα-helixtrans-81.8-38-179.9-68.6-75.317500112.3Q140 K143 E365 V366 W367 F372 S373Q140-E369 PolarHBondContact NE2-OE2 3.5Å; Q140-E369 PolarHBondContact OE1-OE1 2.71Å; Q140-E369 PolarHBondContact OE1-OE2 3.48Å; K143-E369 HydrophobicContact CD-CG 3.9Å; K143-E369 IonicContact NZ-OE1 2.84Å; K143-E369 PolarHBondContact NZ-OE1 3.2Å; E365-E369 PolarHBondContact O-N 2.71Å; V366-E369 PolarHBondContact O-N 3.44Å; W367-E369 VanDerWaalsContact C-N 3.34Å; W367-E369 PolarHBondContact O-N 3.02Å; E369-F372 WeakPolarHBondContact O-CB 3.25Å; E369-F372 PolarHBondContact O-N 3.38Å; E369-S373 PolarHBondContact O-N 2.9Å; E369-S373 PolarHBondContact O-OG 3.33Å
370I50.4Low51.4Low19 Ų1934.7 Ų34.710%0.09718%0.178CC..Hα-helixtrans-64.2-49.3174.4-75.7166000111.8S180 A183 L187 V366 F372 S373 F374S180-I370 VanDerWaalsContact CA-CD1 3.46Å; A183-I370 HydrophobicContact CB-CB 4.21Å; A183-I370 HydrophobicContact CB-CD1 3.88Å; A183-I370 HydrophobicContact CB-CG1 4.17Å; A183-I370 HydrophobicContact CB-CG2 3.05Å; L187-I370 HydrophobicContact CD1-CG2 4.26Å; V366-I370 HydrophobicContact CG1-CD1 3.54Å; V366-I370 WeakPolarHBondContact O-CB 3.06Å; V366-I370 WeakPolarHBondContact O-CD1 3.39Å; V366-I370 WeakPolarHBondContact O-CG1 3.5Å; V366-I370 PolarHBondContact O-N 3.29Å; V366-I370 VanDerWaalsContact O-N 3.13Å; I370-F372 PolarHBondContact O-N 3.47Å; I370-S373 WeakPolarHBondContact O-CA 3.29Å; I370-S373 VanDerWaalsContact O-CB 3.27Å; I370-S373 WeakPolarHBondContact O-CB 3.33Å; I370-S373 PolarHBondContact O-N 2.67Å; I370-F374 PolarHBondContact O-N 2.95Å
371Y50Low50.1Low43 Ų4336 Ų3617%0.16918%0.184CC..Hα-helixtrans-65.1-24.7177.8-173.4-86.6000111P222 L225 I226 W367 F374 L375P222-Y371 HydrophobicContact CB-CE2 3.86Å; P222-Y371 WeakPolarHBondContact CB-OH 3.37Å; L225-Y371 HydrophobicContact CD2-CD2 3.91Å; L225-Y371 HydrophobicContact CD2-CE2 4.27Å; I226-Y371 HydrophobicContact CD1-CE1 4.3Å; I226-Y371 HydrophobicContact CD1-CE2 4.08Å; I226-Y371 HydrophobicContact CG1-CD2 4.48Å; I226-Y371 HydrophobicContact CG1-CE2 3.93Å; W367-Y371 WeakPolarHBondContact O-CB 3.46Å; W367-Y371 PolarHBondContact O-N 2.91Å; Y371-F374 VanDerWaalsContact O-CB 3.26Å; Y371-F374 WeakPolarHBondContact O-CB 3.01Å; Y371-F374 PolarHBondContact O-N 2.81Å; Y371-L375 HydrophobicContact CD1-CD1 4.37Å; Y371-L375 HydrophobicContact CE1-CD1 3.64Å; Y371-L375 PolarHBondContact O-N 3.06Å; Y371-L375 VanDerWaalsContact O-N 3.1Å
372F45.9Very low48.8Very low57 Ų5734.5 Ų34.525%0.2518%0.18CC..Hα-helixtrans-73.6-30.8169.4-114.4-93.4000113.7A2 K368 E369 I370 F374 H376A2-F372 HydrophobicContact CB-CB 4.39Å; A2-F372 HydrophobicContact CB-CD1 4.04Å; A2-F372 HydrophobicContact CB-CD2 3.67Å; A2-F372 HydrophobicContact CB-CE1 4.24Å; A2-F372 HydrophobicContact CB-CE2 3.9Å; A2-F372 HydrophobicContact CB-CG 3.74Å; A2-F372 HydrophobicContact CB-CZ 4.18Å; K368-F372 WeakPolarHBondContact O-CB 3.17Å; K368-F372 PolarHBondContact O-N 3.41Å; E369-F372 WeakPolarHBondContact O-CB 3.25Å; E369-F372 PolarHBondContact O-N 3.38Å; I370-F372 PolarHBondContact O-N 3.47Å; F372-F374 PolarHBondContact O-N 3.4Å; F372-H376 PolarHBondContact O-N 3.41Å
373S46.2Very low47.8Very low28 Ų2834.8 Ų34.820%0.19618%0.177CC..Hα-helixtrans-64-19.9166.4-63.10000112.2L187 E369 I370L187-S373 VanDerWaalsContact CD2-C 3.42Å; L187-S373 VanDerWaalsContact CD2-O 3.27Å; L187-S373 WeakPolarHBondContact CD2-O 3.34Å; E369-S373 PolarHBondContact O-N 2.9Å; E369-S373 PolarHBondContact O-OG 3.33Å; I370-S373 WeakPolarHBondContact O-CA 3.29Å; I370-S373 VanDerWaalsContact O-CB 3.27Å; I370-S373 WeakPolarHBondContact O-CB 3.33Å; I370-S373 PolarHBondContact O-N 2.67Å
374F41.6Very low46.6Very low49 Ų4936.6 Ų36.622%0.21519%0.186CC..Hα-helixtrans-87-43.5179.8-162.1-111.9000113.1L187 I190 H218 I370 Y371 F372L187-F374 HydrophobicContact CD2-CB 3.58Å; L187-F374 HydrophobicContact CD2-CD2 3.4Å; L187-F374 VanDerWaalsContact CD2-CD2 3.4Å; L187-F374 HydrophobicContact CD2-CG 3.95Å; L187-F374 HydrophobicContact CG-CB 4.25Å; L187-F374 HydrophobicContact CG-CD2 3.76Å; L187-F374 HydrophobicContact CG-CG 4.49Å; I190-F374 HydrophobicContact CB-CE2 3.9Å; I190-F374 HydrophobicContact CB-CZ 4.38Å; I190-F374 HydrophobicContact CD1-CE2 3.52Å; I190-F374 HydrophobicContact CD1-CZ 3.65Å; I190-F374 HydrophobicContact CG1-CE2 4.28Å; I190-F374 HydrophobicContact CG2-CE2 3.78Å; I190-F374 HydrophobicContact CG2-CZ 3.86Å; H218-F374 AromaticContact CD2-CE1 3.87Å; H218-F374 AromaticContact CE1-CE1 3.66Å; H218-F374 AromaticContact NE2-CD1 3.6Å; H218-F374 AromaticContact NE2-CE1 2.96Å; H218-F374 WeakPolarHBondContact NE2-CE1 3.48Å; H218-F374 AromaticContact NE2-CZ 3.75Å; I370-F374 PolarHBondContact O-N 2.95Å; Y371-F374 VanDerWaalsContact O-CB 3.26Å; Y371-F374 WeakPolarHBondContact O-CB 3.01Å; Y371-F374 PolarHBondContact O-N 2.81Å; F372-F374 PolarHBondContact O-N 3.4Å
375L41.6Very low45.6Very low93 Ų9338.8 Ų38.849%0.48720%0.199SC..Hα-helixtrans-83.9-21.9-177.9-119.1101.5000114.2Y371Y371-L375 HydrophobicContact CD1-CD1 4.37Å; Y371-L375 HydrophobicContact CE1-CD1 3.64Å; Y371-L375 PolarHBondContact O-N 3.06Å; Y371-L375 VanDerWaalsContact O-N 3.1Å
376H42Very low44.8Very low21 Ų2142 Ų4210%0.09721%0.213CC..  trans-118.7118.8179.2-106.6-147.8000109R327 F372 V378R327-H376 PolarHBondContact N-NE2 2.95Å; F372-H376 PolarHBondContact O-N 3.41Å; H376-V378 HydrophobicContact CB-CB 4.14Å; H376-V378 HydrophobicContact CB-CG2 3.81Å; H376-V378 WeakPolarHBondContact ND1-CG2 3.34Å; H376-V378 PolarHBondContact O-N 3.35Å
377G41.4Very low44Very low16 Ų1645.5 Ų45.517%0.16523%0.234CC..THydrogen-bonded Turntrans-35.1-39.7163.700000111.9F379 L380 E381G377-F379 PolarHBondContact O-N 3.25Å; G377-L380 CarbonylContact O-C 3.51Å; G377-L380 VanDerWaalsContact O-C 3.22Å; G377-L380 VanDerWaalsContact O-CA 3.3Å; G377-L380 WeakPolarHBondContact O-CA 3.28Å; G377-L380 PolarHBondContact O-N 2.76Å; G377-E381 VanDerWaalsContact C-CB 3.43Å; G377-E381 WeakPolarHBondContact O-CA 3.46Å; G377-E381 WeakPolarHBondContact O-CB 3.4Å; G377-E381 PolarHBondContact O-N 3.15Å
378V42Very low43.1Very low32 Ų3248.2 Ų48.219%0.19425%0.25CS..Hα-helixtrans-30.8-44.3-176.6-172.70000118H376 C382H376-V378 HydrophobicContact CB-CB 4.14Å; H376-V378 HydrophobicContact CB-CG2 3.81Å; H376-V378 WeakPolarHBondContact ND1-CG2 3.34Å; H376-V378 PolarHBondContact O-N 3.35Å; V378-C382 WeakPolarHBondContact O-CA 3.23Å; V378-C382 WeakPolarHBondContact O-CB 3.26Å; V378-C382 PolarHBondContact O-N 2.83Å; V378-C382 PolarHBondContact O-SG 3.49Å
379F42.6Very low42.4Very low42 Ų4249.5 Ų49.518%0.18426%0.26CS..Hα-helixtrans-73.6-46.1175.7-149.1-91.3000111L137 L144 F184 G377 I383L137-F379 HydrophobicContact CD1-CD2 4.49Å; L137-F379 HydrophobicContact CD1-CE1 4.05Å; L137-F379 HydrophobicContact CD1-CE2 3.8Å; L137-F379 HydrophobicContact CD1-CZ 3.56Å; L137-F379 HydrophobicContact CG-CE2 4.47Å; L137-F379 HydrophobicContact CG-CZ 4.3Å; L144-F379 HydrophobicContact CD1-CZ 4.48Å; F184-F379 HydrophobicContact CE2-CD1 4.02Å; F184-F379 HydrophobicContact CE2-CE1 4.07Å; G377-F379 PolarHBondContact O-N 3.25Å; F379-I383 HydrophobicContact CD1-CD1 3.76Å; F379-I383 HydrophobicContact CE1-CD1 3.88Å; F379-I383 VanDerWaalsContact O-CB 3.29Å; F379-I383 WeakPolarHBondContact O-CB 3.39Å; F379-I383 WeakPolarHBondContact O-CD1 3.45Å; F379-I383 WeakPolarHBondContact O-CG1 3.49Å; F379-I383 PolarHBondContact O-N 3.35Å
380L39.8Very low41.8Very low16 Ų1649.3 Ų49.38%0.08427%0.265CS..Hα-helixtrans-74.9-19.2171.9-125112.4000113.5K191 G377 I384K191-L380 HydrophobicContact CD-CB 4.5Å; K191-L380 HydrophobicContact CD-CD2 4.07Å; G377-L380 CarbonylContact O-C 3.51Å; G377-L380 VanDerWaalsContact O-C 3.22Å; G377-L380 VanDerWaalsContact O-CA 3.3Å; G377-L380 WeakPolarHBondContact O-CA 3.28Å; G377-L380 PolarHBondContact O-N 2.76Å; L380-I384 HydrophobicContact CD2-CD1 3.74Å; L380-I384 HydrophobicContact CD2-CG1 4.39Å; L380-I384 VanDerWaalsContact O-CA 3.29Å; L380-I384 WeakPolarHBondContact O-CA 3.36Å; L380-I384 WeakPolarHBondContact O-CB 3.31Å; L380-I384 VanDerWaalsContact O-CD1 3.29Å; L380-I384 WeakPolarHBondContact O-CD1 3.3Å; L380-I384 WeakPolarHBondContact O-CG1 3.45Å; L380-I384 PolarHBondContact O-N 3.34Å
381E40.6Very low41Very low45 Ų4550.2 Ų50.221%0.2128%0.28CS..Hα-helixtrans-95.6-24.2177.8-82.6-166.3174.600110.5G377 V385G377-E381 VanDerWaalsContact C-CB 3.43Å; G377-E381 WeakPolarHBondContact O-CA 3.46Å; G377-E381 WeakPolarHBondContact O-CB 3.4Å; G377-E381 PolarHBondContact O-N 3.15Å; E381-V385 VanDerWaalsContact O-CA 3.31Å; E381-V385 WeakPolarHBondContact O-CA 3.24Å; E381-V385 WeakPolarHBondContact O-CB 3.35Å; E381-V385 WeakPolarHBondContact O-CG2 3.38Å; E381-V385 PolarHBondContact O-N 3.21Å
382C40.9Very low40.4Very low38 Ų3851.9 Ų51.926%0.25729%0.291SS..Hα-helixtrans-75.7-36.9161.9-72.40000108.9V378 F386V378-C382 WeakPolarHBondContact O-CA 3.23Å; V378-C382 WeakPolarHBondContact O-CB 3.26Å; V378-C382 PolarHBondContact O-N 2.83Å; V378-C382 PolarHBondContact O-SG 3.49Å; C382-F386 WeakPolarHBondContact O-CA 3.49Å; C382-F386 WeakPolarHBondContact O-CB 3.41Å; C382-F386 PolarHBondContact O-N 3.17Å
383I41.4Very low40Very low58 Ų5853 Ų5330%0.29730%0.297SS..Hα-helixtrans-71.1-42.7169.5-68.4168.1000110.9F379 F386 V387F379-I383 HydrophobicContact CD1-CD1 3.76Å; F379-I383 HydrophobicContact CE1-CD1 3.88Å; F379-I383 VanDerWaalsContact O-CB 3.29Å; F379-I383 WeakPolarHBondContact O-CB 3.39Å; F379-I383 WeakPolarHBondContact O-CD1 3.45Å; F379-I383 WeakPolarHBondContact O-CG1 3.49Å; F379-I383 PolarHBondContact O-N 3.35Å; I383-F386 CarbonylContact O-C 3.52Å; I383-F386 WeakPolarHBondContact O-CA 3.46Å; I383-F386 WeakPolarHBondContact O-CB 3.47Å; I383-F386 PolarHBondContact O-N 3.06Å; I383-F386 VanDerWaalsContact O-N 3.09Å; I383-V387 HydrophobicContact CG2-CG2 3.93Å; I383-V387 WeakPolarHBondContact O-CA 3.46Å; I383-V387 WeakPolarHBondContact O-CB 3.48Å; I383-V387 WeakPolarHBondContact O-CG2 3.46Å; I383-V387 PolarHBondContact O-N 3.17Å
384I38.8Very low39.6Very low53 Ų5360.1 Ų60.127%0.27232%0.324SS..Hα-helixtrans-70.3-32.3173.8-76.8166.8000109.6L380 F386 V387 I388L380-I384 HydrophobicContact CD2-CD1 3.74Å; L380-I384 HydrophobicContact CD2-CG1 4.39Å; L380-I384 VanDerWaalsContact O-CA 3.29Å; L380-I384 WeakPolarHBondContact O-CA 3.36Å; L380-I384 WeakPolarHBondContact O-CB 3.31Å; L380-I384 VanDerWaalsContact O-CD1 3.29Å; L380-I384 WeakPolarHBondContact O-CD1 3.3Å; L380-I384 WeakPolarHBondContact O-CG1 3.45Å; L380-I384 PolarHBondContact O-N 3.34Å; I384-F386 VanDerWaalsContact C-N 3.32Å; I384-V387 PolarHBondContact O-N 3.42Å; I384-I388 HydrophobicContact CG2-CB 4.17Å; I384-I388 HydrophobicContact CG2-CD1 3.21Å; I384-I388 HydrophobicContact CG2-CG1 3.53Å; I384-I388 WeakPolarHBondContact O-CA 3.48Å; I384-I388 WeakPolarHBondContact O-CB 3.43Å; I384-I388 WeakPolarHBondContact O-CG1 3.28Å; I384-I388 PolarHBondContact O-N 3.33Å
385V40.3Very low39.4Very low48 Ų4865.1 Ų65.129%0.29135%0.346SS..Hα-helixtrans-71.6-31.5167.6166.80000109.2E381 C389E381-V385 VanDerWaalsContact O-CA 3.31Å; E381-V385 WeakPolarHBondContact O-CA 3.24Å; E381-V385 WeakPolarHBondContact O-CB 3.35Å; E381-V385 WeakPolarHBondContact O-CG2 3.38Å; E381-V385 PolarHBondContact O-N 3.21Å; V385-C389 HydrophobicContact CG1-CB 4.35Å; V385-C389 WeakPolarHBondContact O-CA 3.04Å; V385-C389 WeakPolarHBondContact O-CB 3.4Å; V385-C389 PolarHBondContact O-N 2.91Å
386F41.4Very low39.2Very low133 Ų13363.7 Ų63.758%0.58334%0.341SS*.Hα-helixtrans-75.1-24173.1-163.5-93.9000113V134 C382 I383 I384 G390V134-F386 HydrophobicContact CG2-CE2 4.45Å; C382-F386 WeakPolarHBondContact O-CA 3.49Å; C382-F386 WeakPolarHBondContact O-CB 3.41Å; C382-F386 PolarHBondContact O-N 3.17Å; I383-F386 CarbonylContact O-C 3.52Å; I383-F386 WeakPolarHBondContact O-CA 3.46Å; I383-F386 WeakPolarHBondContact O-CB 3.47Å; I383-F386 PolarHBondContact O-N 3.06Å; I383-F386 VanDerWaalsContact O-N 3.09Å; I384-F386 VanDerWaalsContact C-N 3.32Å; F386-G390 WeakPolarHBondContact O-CA 3.31Å; F386-G390 PolarHBondContact O-N 3.35Å
387V38.2Very low39.2Very low91 Ų9164.9 Ų64.955%0.55235%0.352SS*.Hα-helixtrans-102-38.7-176.6169.70000111.5I383 I384 G390 G391I383-V387 HydrophobicContact CG2-CG2 3.93Å; I383-V387 WeakPolarHBondContact O-CA 3.46Å; I383-V387 WeakPolarHBondContact O-CB 3.48Å; I383-V387 WeakPolarHBondContact O-CG2 3.46Å; I383-V387 PolarHBondContact O-N 3.17Å; I384-V387 PolarHBondContact O-N 3.42Å; V387-G390 CarbonylContact O-C 3.41Å; V387-G390 PolarHBondContact O-N 2.98Å; V387-G391 PolarHBondContact O-N 3.31Å
388I37.2Very low39.3Very low93 Ų9372 Ų7248%0.47738%0.375SS..Hα-helixtrans-80-34.7166.6-60.9-173.5000111.1I384 G391 L392I384-I388 HydrophobicContact CG2-CB 4.17Å; I384-I388 HydrophobicContact CG2-CD1 3.21Å; I384-I388 HydrophobicContact CG2-CG1 3.53Å; I384-I388 WeakPolarHBondContact O-CA 3.48Å; I384-I388 WeakPolarHBondContact O-CB 3.43Å; I384-I388 WeakPolarHBondContact O-CG1 3.28Å; I384-I388 PolarHBondContact O-N 3.33Å; I388-G391 CarbonylContact O-C 3.58Å; I388-L392 HydrophobicContact CG2-CD1 3.61Å; I388-L392 HydrophobicContact CG2-CG 4.23Å; I388-L392 VanDerWaalsContact O-CA 3.31Å; I388-L392 WeakPolarHBondContact O-CA 3.39Å; I388-L392 WeakPolarHBondContact O-CB 3.37Å; I388-L392 VanDerWaalsContact O-CG 3.25Å; I388-L392 WeakPolarHBondContact O-CG 3.47Å; I388-L392 PolarHBondContact O-N 3.22Å
389C38.5Very low39.3Very low35 Ų3574.3 Ų74.324%0.23639%0.389CS..Hα-helixtrans-82.8-9.1159-57.60000113V385 Q393V385-C389 HydrophobicContact CG1-CB 4.35Å; V385-C389 WeakPolarHBondContact O-CA 3.04Å; V385-C389 WeakPolarHBondContact O-CB 3.4Å; V385-C389 PolarHBondContact O-N 2.91Å; C389-Q393 VanDerWaalsContact O-CA 3.25Å; C389-Q393 WeakPolarHBondContact O-CA 3.45Å; C389-Q393 WeakPolarHBondContact O-CB 3.14Å; C389-Q393 WeakPolarHBondContact O-CG 3.38Å; C389-Q393 PolarHBondContact O-N 3.24Å; C389-Q393 PolarHBondContact O-OE1 3Å
390G36.3Very low39.4Very low25 Ų2575.8 Ų75.826%0.25840%0.398SS..Hα-helixtrans-73.3-40.316000000110.8F386 V387 K394F386-G390 WeakPolarHBondContact O-CA 3.31Å; F386-G390 PolarHBondContact O-N 3.35Å; V387-G390 CarbonylContact O-C 3.41Å; V387-G390 PolarHBondContact O-N 2.98Å; G390-K394 PolarHBondContact O-N 3.48Å
391G35.1Very low39.5Very low39 Ų3980.7 Ų80.740%0.40242%0.424SS..Hα-helixtrans-76.5-36.1175.400000113.7V387 I388 K394 K395V387-G391 PolarHBondContact O-N 3.31Å; I388-G391 CarbonylContact O-C 3.58Å; G391-K394 PolarHBondContact O-N 3.07Å; G391-K395 PolarHBondContact O-N 3.07Å
392L35.9Very low39.4Very low78 Ų7888.3 Ų88.341%0.40845%0.451SS..Hα-helixtrans-81.2-23.7168.2-74.5160000110.4I388 K394 K395 T396 S397I388-L392 HydrophobicContact CG2-CD1 3.61Å; I388-L392 HydrophobicContact CG2-CG 4.23Å; I388-L392 VanDerWaalsContact O-CA 3.31Å; I388-L392 WeakPolarHBondContact O-CA 3.39Å; I388-L392 WeakPolarHBondContact O-CB 3.37Å; I388-L392 VanDerWaalsContact O-CG 3.25Å; I388-L392 WeakPolarHBondContact O-CG 3.47Å; I388-L392 PolarHBondContact O-N 3.22Å; L392-K394 VanDerWaalsContact C-N 3.31Å; L392-K395 CarbonylContact O-C 3.47Å; L392-K395 PolarHBondContact O-N 2.96Å; L392-T396 WeakPolarHBondContact O-CA 3.38Å; L392-T396 WeakPolarHBondContact O-CB 3.39Å; L392-T396 PolarHBondContact O-N 2.93Å; L392-T396 PolarHBondContact O-OG1 3.4Å; L392-S397 PolarHBondContact O-N 3.36Å
393Q38Very low39.3Very low81 Ų8194.4 Ų94.438%0.37947%0.473SS..Iπ-helixtrans-68.2-39.7164.1-87.3176.3-35.200108.4C389 K395 S397 Y414C389-Q393 VanDerWaalsContact O-CA 3.25Å; C389-Q393 WeakPolarHBondContact O-CA 3.45Å; C389-Q393 WeakPolarHBondContact O-CB 3.14Å; C389-Q393 WeakPolarHBondContact O-CG 3.38Å; C389-Q393 PolarHBondContact O-N 3.24Å; C389-Q393 PolarHBondContact O-OE1 3Å; Q393-K395 VanDerWaalsContact C-N 3.29Å; Q393-K395 PolarHBondContact O-N 3.18Å; Q393-S397 WeakPolarHBondContact O-CA 3.03Å; Q393-S397 WeakPolarHBondContact O-CB 3.23Å; Q393-S397 PolarHBondContact O-N 2.61Å; Q393-S397 PolarHBondContact O-OG 2.68Å; Q393-Y414 PolarHBondContact NE2-OH 3.4Å
394K38.3Very low39.3Very low176 Ų17693.4 Ų93.477%0.76547%0.47SS*.Iπ-helixtrans-65.9-25.6171.6-82.1-174176.8179.80114.3G390 G391 L392 Y398G390-K394 PolarHBondContact O-N 3.48Å; G391-K394 PolarHBondContact O-N 3.07Å; L392-K394 VanDerWaalsContact C-N 3.31Å; K394-Y398 WeakPolarHBondContact O-CB 3.5Å
395K37.5Very low39.4Very low154 Ų154102.4 Ų102.467%0.6750%0.5SS*.Iπ-helixtrans-97.7-51.9176.3-107.8180178.1178.50113.8G391 L392 Q393 Y398 V399G391-K395 PolarHBondContact O-N 3.07Å; L392-K395 CarbonylContact O-C 3.47Å; L392-K395 PolarHBondContact O-N 2.96Å; Q393-K395 VanDerWaalsContact C-N 3.29Å; Q393-K395 PolarHBondContact O-N 3.18Å; K395-Y398 CarbonylContact O-C 3.54Å; K395-Y398 PolarHBondContact O-N 2.94Å; K395-V399 WeakPolarHBondContact O-CB 3.18Å; K395-V399 WeakPolarHBondContact O-CG2 3.44Å; K395-V399 PolarHBondContact O-N 3.28Å
396T37Very low39.5Very low63 Ų63106.9 Ų106.939%0.38752%0.522SS..Iπ-helixtrans-67-40.7172.2-460000112.8L392 Y398 V399 I400L392-T396 WeakPolarHBondContact O-CA 3.38Å; L392-T396 WeakPolarHBondContact O-CB 3.39Å; L392-T396 PolarHBondContact O-N 2.93Å; L392-T396 PolarHBondContact O-OG1 3.4Å; T396-Y398 VanDerWaalsContact C-N 3.29Å; T396-Y398 PolarHBondContact O-N 3.12Å; T396-V399 PolarHBondContact O-N 2.89Å; T396-I400 HydrophobicContact CG2-CD1 3.8Å; T396-I400 HydrophobicContact CG2-CG1 4.27Å; T396-I400 WeakPolarHBondContact O-CA 3.46Å; T396-I400 WeakPolarHBondContact O-CB 3.19Å; T396-I400 WeakPolarHBondContact O-CD1 3.48Å; T396-I400 WeakPolarHBondContact O-CG1 3.35Å; T396-I400 PolarHBondContact O-N 3.4Å
397S42.1Very low39.8Very low46 Ų46103 Ų10332%0.32251%0.507SS..Iπ-helixtrans-69.9-27.5170.1-48.20000111.5L392 Q393 L401L392-S397 PolarHBondContact O-N 3.36Å; Q393-S397 WeakPolarHBondContact O-CA 3.03Å; Q393-S397 WeakPolarHBondContact O-CB 3.23Å; Q393-S397 PolarHBondContact O-N 2.61Å; Q393-S397 PolarHBondContact O-OG 2.68Å; S397-L401 WeakPolarHBondContact O-CA 3.48Å; S397-L401 WeakPolarHBondContact O-CB 3.36Å; S397-L401 WeakPolarHBondContact O-CD1 3.02Å; S397-L401 WeakPolarHBondContact O-CG 3.43Å; S397-L401 PolarHBondContact O-N 3.13Å
398Y43.7Very low40.7Very low165 Ų165103.7 Ų103.765%0.64751%0.513SS*.Hα-helixtrans-78.1-30.8173.6-150.1-85.2000112.9K394 K395 T396 L401 R402K394-Y398 WeakPolarHBondContact O-CB 3.5Å; K395-Y398 CarbonylContact O-C 3.54Å; K395-Y398 PolarHBondContact O-N 2.94Å; T396-Y398 VanDerWaalsContact C-N 3.29Å; T396-Y398 PolarHBondContact O-N 3.12Å; Y398-L401 CarbonylContact O-C 3.51Å; Y398-L401 PolarHBondContact O-N 3.25Å; Y398-R402 WeakPolarHBondContact O-CB 3.32Å; Y398-R402 PolarHBondContact O-N 3.47Å
399V42.3Very low41.4Very low82 Ų82101.6 Ų101.650%0.49750%0.503SS..Hα-helixtrans-77.7-38.5173.2165.60000110.4K395 T396 R402 F403K395-V399 WeakPolarHBondContact O-CB 3.18Å; K395-V399 WeakPolarHBondContact O-CG2 3.44Å; K395-V399 PolarHBondContact O-N 3.28Å; T396-V399 PolarHBondContact O-N 2.89Å; V399-R402 PolarHBondContact O-N 2.89Å; V399-F403 HydrophobicContact CG1-CD2 4.31Å; V399-F403 WeakPolarHBondContact O-CB 3.45Å; V399-F403 PolarHBondContact O-N 2.86Å
400I43.9Very low41.8Very low72 Ų72102.6 Ų102.637%0.36951%0.506SS..Hα-helixtrans-63.2-44.6164.7-68.1166.6000108.5T396 R402 F403 T404T396-I400 HydrophobicContact CG2-CD1 3.8Å; T396-I400 HydrophobicContact CG2-CG1 4.27Å; T396-I400 WeakPolarHBondContact O-CA 3.46Å; T396-I400 WeakPolarHBondContact O-CB 3.19Å; T396-I400 WeakPolarHBondContact O-CD1 3.48Å; T396-I400 WeakPolarHBondContact O-CG1 3.35Å; T396-I400 PolarHBondContact O-N 3.4Å; I400-R402 PolarHBondContact O-N 2.75Å; I400-F403 PolarHBondContact O-N 2.9Å; I400-T404 HydrophobicContact CG2-CG2 4.01Å; I400-T404 WeakPolarHBondContact O-CA 3.36Å; I400-T404 WeakPolarHBondContact O-CB 3.28Å; I400-T404 WeakPolarHBondContact O-CG2 3.31Å; I400-T404 PolarHBondContact O-N 3.05Å; I400-T404 PolarHBondContact O-OG1 3.16Å
401L41.5Very low42.5Very low119 Ų119105 Ų10562%0.62351%0.512SS*.Hα-helixtrans-65.7-11.4173.7-91.6149.5000114.7S397 Y398 T404S397-L401 WeakPolarHBondContact O-CA 3.48Å; S397-L401 WeakPolarHBondContact O-CB 3.36Å; S397-L401 WeakPolarHBondContact O-CD1 3.02Å; S397-L401 WeakPolarHBondContact O-CG 3.43Å; S397-L401 PolarHBondContact O-N 3.13Å; Y398-L401 CarbonylContact O-C 3.51Å; Y398-L401 PolarHBondContact O-N 3.25Å; L401-T404 WeakPolarHBondContact CA-OG1 3.48Å; L401-T404 PolarHBondContact O-OG1 2.89Å
402R39.6Very low43.3Very low205 Ų205108 Ų10877%0.77452%0.518SS*.Hα-helixtrans-106.3-29175.6-161.1169.6-173.9176.71.1112.9Y398 V399 I400 T404Y398-R402 WeakPolarHBondContact O-CB 3.32Å; Y398-R402 PolarHBondContact O-N 3.47Å; V399-R402 PolarHBondContact O-N 2.89Å; I400-R402 PolarHBondContact O-N 2.75Å; R402-T404 PolarHBondContact N-OG1 2.8Å
403F39.2Very low44Very low166 Ų166105.5 Ų105.573%0.72851%0.507SS*.Hα-helixtrans-78.8-19.9165.6-100.4-89.6000113V399 I400 R405 L406V399-F403 HydrophobicContact CG1-CD2 4.31Å; V399-F403 WeakPolarHBondContact O-CB 3.45Å; V399-F403 PolarHBondContact O-N 2.86Å; I400-F403 PolarHBondContact O-N 2.9Å; F403-R405 PolarHBondContact O-N 2.93Å; F403-R405 VanDerWaalsContact O-N 3.16Å; F403-L406 PolarHBondContact O-N 3.32Å
404T40.1Very low44.5Very low37 Ų37106.7 Ų106.723%0.22751%0.509CS..THydrogen-bonded Turntrans-66.4-6-177.825.10000115.2I400 L401 R402 L406 I411I400-T404 HydrophobicContact CG2-CG2 4.01Å; I400-T404 WeakPolarHBondContact O-CA 3.36Å; I400-T404 WeakPolarHBondContact O-CB 3.28Å; I400-T404 WeakPolarHBondContact O-CG2 3.31Å; I400-T404 PolarHBondContact O-N 3.05Å; I400-T404 PolarHBondContact O-OG1 3.16Å; L401-T404 WeakPolarHBondContact CA-OG1 3.48Å; L401-T404 PolarHBondContact O-OG1 2.89Å; R402-T404 PolarHBondContact N-OG1 2.8Å; T404-L406 PolarHBondContact O-N 3.45Å; T404-I411 HydrophobicContact CG2-CD1 4Å
405R42Very low44.9Very low242 Ų242102.4 Ų102.491%0.91349%0.494SS*.THydrogen-bonded Turntrans-61.1-7166.5-84.7-170.5176.6168.3-0.7112.6F403F403-R405 PolarHBondContact O-N 2.93Å; F403-R405 VanDerWaalsContact O-N 3.16Å
406L42.2Very low45.4Very low143 Ų14398 Ų9875%0.74948%0.477SS*.SBendtrans-113.1-15.9-176.4-76.5160.7000118.3F403 T404F403-L406 PolarHBondContact O-N 3.32Å; T404-L406 PolarHBondContact O-N 3.45Å
407L48.2Very low45.8Very low51 Ų5197.3 Ų97.327%0.26748%0.483SS..  trans-164.2130.8172.8-94.3128.6000116.6I409 Y451L407-I409 HydrophobicContact CD2-CD1 4.12Å; L407-Y451 HydrophobicContact CD1-CE2 4.24Å; L407-Y451 WeakPolarHBondContact CD1-OH 3.37Å
408P55.5Low45.8Very low105 Ų10598.8 Ų98.868%0.68249%0.487SS*.SBendtrans-79-12179.428.7-33.5000116D410 L412P408-D410 PolarHBondContact O-N 3.26Å; P408-L412 PolarHBondContact O-N 2.82Å
409I53.5Low45.6Very low50 Ų5096.8 Ų96.826%0.25649%0.485SS..Hα-helixtrans-66.9-37.9-172.6-82.3159.1000112.8L407 I411 L412 C413 F450L407-I409 HydrophobicContact CD2-CD1 4.12Å; I409-I411 VanDerWaalsContact C-N 3.32Å; I409-I411 PolarHBondContact O-N 3.1Å; I409-L412 WeakPolarHBondContact O-CB 3.36Å; I409-L412 PolarHBondContact O-N 3.06Å; I409-L412 VanDerWaalsContact O-N 3.1Å; I409-C413 PolarHBondContact O-N 2.96Å; I409-C413 PolarHBondContact O-SG 2.77Å; I409-F450 HydrophobicContact CD1-CD1 4.39Å
410D47.1Very low45.4Very low55 Ų5597.9 Ų97.929%0.29449%0.488SS..Hα-helixtrans-67.7-30.7-175.1-75-26.4000113.4P408 Y414 R447P408-D410 PolarHBondContact O-N 3.26Å; D410-Y414 WeakPolarHBondContact O-CB 3.28Å; D410-Y414 PolarHBondContact O-N 3.18Å; D410-Y414 VanDerWaalsContact O-N 3.11Å; D410-R447 IonicContact OD1-CZ 3.26Å; D410-R447 IonicContact OD1-NE 3.01Å; D410-R447 PolarHBondContact OD1-NE 2.86Å; D410-R447 IonicContact OD1-NH1 2.74Å; D410-R447 PolarHBondContact OD1-NH1 2.93Å; D410-R447 IonicContact OD2-CZ 3.6Å; D410-R447 IonicContact OD2-NH1 3.63Å; D410-R447 IonicContact OD2-NH2 3.77Å
411I50.3Low45.1Very low77 Ų7796.7 Ų96.740%0.39549%0.493SS..Hα-helixtrans-70.2-41.9171.8-68.6173.3000110.4T404 I409 C413 Y414 L415T404-I411 HydrophobicContact CG2-CD1 4Å; I409-I411 VanDerWaalsContact C-N 3.32Å; I409-I411 PolarHBondContact O-N 3.1Å; I411-C413 VanDerWaalsContact C-N 3.32Å; I411-C413 PolarHBondContact O-N 3.02Å; I411-Y414 PolarHBondContact O-N 3.27Å; I411-L415 HydrophobicContact CG2-CD1 3.54Å; I411-L415 HydrophobicContact CG2-CG 4.11Å; I411-L415 WeakPolarHBondContact O-CB 3.41Å; I411-L415 VanDerWaalsContact O-CG 3.29Å; I411-L415 WeakPolarHBondContact O-CG 3.16Å; I411-L415 PolarHBondContact O-N 3.02Å
412L52.2Low44.6Very low102 Ų102100.1 Ų100.153%0.53451%0.506SS..Hα-helixtrans-62.1-40.5176.7-171.370.3000111.3P408 I409 L416P408-L412 PolarHBondContact O-N 2.82Å; I409-L412 WeakPolarHBondContact O-CB 3.36Å; I409-L412 PolarHBondContact O-N 3.06Å; I409-L412 VanDerWaalsContact O-N 3.1Å; L412-L416 HydrophobicContact CD1-CD1 4.24Å; L412-L416 HydrophobicContact CD1-CG 4.38Å; L412-L416 HydrophobicContact CD2-CD1 4.41Å; L412-L416 HydrophobicContact CG-CD1 3.82Å; L412-L416 HydrophobicContact CG-CG 4.34Å; L412-L416 WeakPolarHBondContact O-CB 3.3Å; L412-L416 WeakPolarHBondContact O-CG 3.38Å; L412-L416 PolarHBondContact O-N 3.31Å
413C50.5Low44Very low25 Ų25100.4 Ų100.417%0.16951%0.513CS..Hα-helixtrans-61.1-47.7174.5-57.90000112.2I409 I411 G417 I443I409-C413 PolarHBondContact O-N 2.96Å; I409-C413 PolarHBondContact O-SG 2.77Å; I411-C413 VanDerWaalsContact C-N 3.32Å; I411-C413 PolarHBondContact O-N 3.02Å; C413-G417 PolarHBondContact O-N 2.75Å; C413-I443 HydrophobicContact CB-CG2 3.48Å; C413-I443 VanDerWaalsContact CB-CG2 3.48Å; C413-I443 WeakPolarHBondContact SG-CG2 3.36Å
414Y48.5Very low43.5Very low105 Ų10597 Ų9741%0.41251%0.51SS..Hα-helixtrans-67.2-40.8179.9-177.9-98.6000112.2Q393 D410 I411 N418Q393-Y414 PolarHBondContact NE2-OH 3.4Å; D410-Y414 WeakPolarHBondContact O-CB 3.28Å; D410-Y414 PolarHBondContact O-N 3.18Å; D410-Y414 VanDerWaalsContact O-N 3.11Å; I411-Y414 PolarHBondContact O-N 3.27Å; Y414-N418 PolarHBondContact O-N 3.03Å; Y414-N418 PolarHBondContact O-ND2 2.87Å
415L46.8Very low42.8Very low86 Ų86106.5 Ų106.545%0.4554%0.541SS..Hα-helixtrans-68.7-46.1176-72171.6000111.2I411 G417 N418 M419I411-L415 HydrophobicContact CG2-CD1 3.54Å; I411-L415 HydrophobicContact CG2-CG 4.11Å; I411-L415 WeakPolarHBondContact O-CB 3.41Å; I411-L415 VanDerWaalsContact O-CG 3.29Å; I411-L415 WeakPolarHBondContact O-CG 3.16Å; I411-L415 PolarHBondContact O-N 3.02Å; L415-G417 VanDerWaalsContact C-N 3.26Å; L415-G417 PolarHBondContact O-N 3.02Å; L415-N418 CarbonylContact O-C 3.49Å; L415-N418 PolarHBondContact O-N 3.41Å; L415-M419 WeakPolarHBondContact O-CB 3.21Å; L415-M419 WeakPolarHBondContact O-CG 3.11Å; L415-M419 PolarHBondContact O-N 2.98Å
416L47.2Very low42.1Very low62 Ų62101.6 Ų101.633%0.32553%0.533SS..Hα-helixtrans-64.4-28.8178.2-75.5171.9000113.6L412 N418 I443L412-L416 HydrophobicContact CD1-CD1 4.24Å; L412-L416 HydrophobicContact CD1-CG 4.38Å; L412-L416 HydrophobicContact CD2-CD1 4.41Å; L412-L416 HydrophobicContact CG-CD1 3.82Å; L412-L416 HydrophobicContact CG-CG 4.34Å; L412-L416 WeakPolarHBondContact O-CB 3.3Å; L412-L416 WeakPolarHBondContact O-CG 3.38Å; L412-L416 PolarHBondContact O-N 3.31Å; L416-N418 VanDerWaalsContact C-N 3.33Å; L416-I443 HydrophobicContact CB-CD1 3.8Å; L416-I443 HydrophobicContact CD1-CD1 3.86Å
417G45Very low41.4Very low49 Ų49100 Ų10051%0.50553%0.533SS..Hα-helixtrans-73.5-21.9171.700000114C413 L415C413-G417 PolarHBondContact O-N 2.75Å; L415-G417 VanDerWaalsContact C-N 3.26Å; L415-G417 PolarHBondContact O-N 3.02Å
418N42.6Very low40.4Very low76 Ų76105.6 Ų105.641%0.40656%0.556SS.*Hα-helixtrans-106.1-14.6179.7-75.7-61.9000114Y414 L415 L416 D420Y414-N418 PolarHBondContact O-N 3.03Å; Y414-N418 PolarHBondContact O-ND2 2.87Å; L415-N418 CarbonylContact O-C 3.49Å; L415-N418 PolarHBondContact O-N 3.41Å; L416-N418 VanDerWaalsContact C-N 3.33Å; N418-D420 PolarHBondContact O-N 3.45Å
419M38.8Very low39.3Very low124 Ų124107.2 Ų107.261%0.61156%0.563SS**  trans-85.6104-179.5-70.3-141.687.900111.5L415 G421L415-M419 WeakPolarHBondContact O-CB 3.21Å; L415-M419 WeakPolarHBondContact O-CG 3.11Å; L415-M419 PolarHBondContact O-N 2.98Å; M419-G421 PolarHBondContact O-N 2.94Å
420D40Very low38.6Very low104 Ų104106.7 Ų106.756%0.55657%0.57SS**  trans-62.886.2155.4-85.4-27.5000108.7N418 H422N418-D420 PolarHBondContact O-N 3.45Å; D420-H422 PolarHBondContact O-N 3.11Å
421G37.5Very low38.3Very low47 Ų47108.7 Ų108.749%0.48558%0.578SS.*  trans-76.5109.4-177.500000112.4M419 F423M419-G421 PolarHBondContact O-N 2.94Å; G421-F423 PolarHBondContact O-N 3.11Å
422H29.6Very low38.1Very low192 Ų192110.6 Ų110.689%0.88958%0.581SS**  trans-42.496.5151.9-105-103.6000111.1D420D420-H422 PolarHBondContact O-N 3.11Å
423F27.3Very low37.9Very low211 Ų211109.7 Ų109.793%0.92558%0.579SS**  trans-165.8136.2154.2-135.2-106.4000112.7G421G421-F423 PolarHBondContact O-N 3.11Å
424S28.7Very low37.6Very low94 Ų94113.2 Ų113.266%0.65759%0.589SS**  trans8591.4172.8-150.60000118.2
425R26.2Very low37.7Very low236 Ų236111.1 Ų111.189%0.89159%0.59SS**  trans-59.4135.9145-86174161.1168.6-6.4108.1
426N26.8Very low37.9Very low139 Ų139108.7 Ų108.774%0.74359%0.586SS**  trans101.1126.5168.1-52.5-19.8000116.1
427C26.4Very low38.2Very low109 Ų109107 Ų10774%0.73658%0.579SS**SBendtrans90.3109.1168.8-68.60000119.3
428F28.5Very low38.5Very low170 Ų170112 Ų11275%0.74658%0.582SS**  trans68.7105.7159.1-79.8-89.3000119.9G430F428-G430 VanDerWaalsContact C-N 3.26Å; F428-G430 PolarHBondContact O-N 2.94Å
429T32.6Very low39.1Very low138 Ų138112.3 Ų112.385%0.84758%0.578SS**THydrogen-bonded Turntrans-70.434.8-173.135.80000116.7
430G37.4Very low39.7Very low39 Ų39109 Ų10940%0.40256%0.562SS.*THydrogen-bonded Turntrans-134.4-7.9-177.600000117.8F428F428-G430 VanDerWaalsContact C-N 3.26Å; F428-G430 PolarHBondContact O-N 2.94Å
431H40.7Very low40.4Very low97 Ų97107.2 Ų107.245%0.44955%0.552SS.*  trans-1019.9-162.8-88.8-85.7000116.7W434H431-W434 AromaticContact CE1-CE3 3.97Å; H431-W434 AromaticContact ND1-CD2 3.71Å; H431-W434 AromaticContact ND1-CE3 3.4Å; H431-W434 AromaticContact ND1-CZ3 3.89Å; H431-W434 WeakPolarHBondContact O-CB 3.27Å; H431-W434 PolarHBondContact O-N 3.15Å
432Y47.6Very low41.4Very low117 Ų117106.8 Ų106.846%0.45954%0.542SS..Hα-helixtrans-86-28.5-159.4-60.4-71.6000116W434Y432-W434 PolarHBondContact O-N 3.11Å
433V46.2Very low42.8Very low83 Ų8399 Ų9950%0.50351%0.506SS..Hα-helixtrans-68.1-22.9167.6-177.30000110.9M45 T273 S435 C437M45-V433 HydrophobicContact CE-CG1 3.95Å; T273-V433 HydrophobicContact CG2-CG1 4.1Å; V433-S435 PolarHBondContact O-N 2.92Å; V433-C437 PolarHBondContact O-N 3.49Å
434W44.4Very low44.1Very low100 Ų10089.5 Ų89.538%0.37947%0.466SS..Hα-helixtrans-67-34-178.3-131.857.5000112.9H431 Y432 G436 W438H431-W434 AromaticContact CE1-CE3 3.97Å; H431-W434 AromaticContact ND1-CD2 3.71Å; H431-W434 AromaticContact ND1-CE3 3.4Å; H431-W434 AromaticContact ND1-CZ3 3.89Å; H431-W434 WeakPolarHBondContact O-CB 3.27Å; H431-W434 PolarHBondContact O-N 3.15Å; Y432-W434 PolarHBondContact O-N 3.11Å; W434-G436 PolarHBondContact O-N 2.97Å; W434-W438 WeakPolarHBondContact O-CB 3.46Å; W434-W438 PolarHBondContact O-N 3.35Å
435S50.7Low45.5Very low60 Ų6088 Ų8842%0.4245%0.45SS..Hα-helixtrans-60.4-45.2-179.91730000112.6V433 R439V433-S435 PolarHBondContact O-N 2.92Å; S435-R439 WeakPolarHBondContact O-CB 3.44Å; S435-R439 WeakPolarHBondContact O-CD 3.48Å; S435-R439 VanDerWaalsContact O-CG 3.22Å; S435-R439 WeakPolarHBondContact O-CG 3.33Å; S435-R439 PolarHBondContact O-N 3.48Å
436G50.9Low47.1Very low36 Ų3681.9 Ų81.937%0.37143%0.434SS..Hα-helixtrans-70.6-48.6179.500000112.6W434 R439 L440W434-G436 PolarHBondContact O-N 2.97Å; G436-R439 PolarHBondContact O-N 3.4Å; G436-L440 WeakPolarHBondContact O-CB 3.14Å; G436-L440 PolarHBondContact O-N 2.89Å
437C53.4Low48.7Very low25 Ų2578.8 Ų78.817%0.16941%0.412CS..Hα-helixtrans-68.1-36.4-178.4-67.60000113.3T273 V433 L440 L441T273-C437 HydrophobicContact CG2-CB 4.25Å; V433-C437 PolarHBondContact O-N 3.49Å; C437-L440 VanDerWaalsContact O-CB 3.29Å; C437-L440 WeakPolarHBondContact O-CB 3.42Å; C437-L440 PolarHBondContact O-N 3.17Å; C437-L441 PolarHBondContact O-N 3.44Å
438W51.9Low50.3Low154 Ų15476 Ų7658%0.58339%0.392SS*.Hα-helixtrans-66.9-40.5175.1-177.1-98000111.7W434 L440 L441 C442W434-W438 WeakPolarHBondContact O-CB 3.46Å; W434-W438 PolarHBondContact O-N 3.35Å; W438-L440 VanDerWaalsContact C-N 3.33Å; W438-L440 PolarHBondContact O-N 2.9Å; W438-L441 PolarHBondContact O-N 3.08Å; W438-C442 PolarHBondContact NE1-SG 2.93Å; W438-C442 VanDerWaalsContact NE1-SG 3.36Å; W438-C442 WeakPolarHBondContact O-CB 3.5Å; W438-C442 PolarHBondContact O-N 3.49Å; W438-C442 PolarHBondContact O-SG 2.89Å; W438-C442 VanDerWaalsContact O-SG 3.33Å
439R55Low51.9Low83 Ų8373 Ų7331%0.31338%0.376SS..Hα-helixtrans-63.4-39.1172.5-74.1173.2-175.7-1662.2111.9S435 G436 L441 I443S435-R439 WeakPolarHBondContact O-CB 3.44Å; S435-R439 WeakPolarHBondContact O-CD 3.48Å; S435-R439 VanDerWaalsContact O-CG 3.22Å; S435-R439 WeakPolarHBondContact O-CG 3.33Å; S435-R439 PolarHBondContact O-N 3.48Å; G436-R439 PolarHBondContact O-N 3.4Å; R439-L441 PolarHBondContact O-N 2.88Å; R439-I443 HydrophobicContact CB-CD1 4.02Å; R439-I443 VanDerWaalsContact O-CB 3.24Å; R439-I443 WeakPolarHBondContact O-CB 3.33Å; R439-I443 WeakPolarHBondContact O-CD1 3.3Å; R439-I443 WeakPolarHBondContact O-CG1 3.2Å; R439-I443 PolarHBondContact O-N 3.02Å; R439-I443 VanDerWaalsContact O-N 3.15Å
440L52.2Low53.5Low55 Ų5571.4 Ų71.429%0.28836%0.358SS..Hα-helixtrans-58.2-31.4174.1-111.5130.9000113.5V124 F128 G436 C437 W438 P444V124-L440 HydrophobicContact CG1-CD2 3.27Å; V124-L440 HydrophobicContact CG1-CG 3.98Å; F128-L440 HydrophobicContact CB-CD2 4.46Å; F128-L440 HydrophobicContact CD2-CD1 3.74Å; F128-L440 HydrophobicContact CE2-CD1 4.35Å; F128-L440 HydrophobicContact CG-CD1 4.45Å; G436-L440 WeakPolarHBondContact O-CB 3.14Å; G436-L440 PolarHBondContact O-N 2.89Å; C437-L440 VanDerWaalsContact O-CB 3.29Å; C437-L440 WeakPolarHBondContact O-CB 3.42Å; C437-L440 PolarHBondContact O-N 3.17Å; W438-L440 VanDerWaalsContact C-N 3.33Å; W438-L440 PolarHBondContact O-N 2.9Å; L440-P444 WeakPolarHBondContact O-CD 3.16Å; L440-P444 WeakPolarHBondContact O-CG 3.2Å
441L55.1Low54.7Low66 Ų6674 Ų7435%0.34636%0.356SS..Hα-helixtrans-89.8-45.4179.1-108.9152.6000112.6L116 I276 C437 W438 R439 L445L116-L441 HydrophobicContact CD2-CD2 3.84Å; I276-L441 HydrophobicContact CD1-CD1 4.33Å; I276-L441 HydrophobicContact CG2-CD1 4.22Å; C437-L441 PolarHBondContact O-N 3.44Å; W438-L441 PolarHBondContact O-N 3.08Å; R439-L441 PolarHBondContact O-N 2.88Å; L441-L445 HydrophobicContact CD2-CD1 4.45Å; L441-L445 VanDerWaalsContact O-CD1 3.3Å; L441-L445 WeakPolarHBondContact O-CD1 3.39Å; L441-L445 VanDerWaalsContact O-CG 3.24Å; L441-L445 WeakPolarHBondContact O-CG 3.31Å
442C57.9Low55.6Low39 Ų3969.6 Ų69.626%0.26434%0.337SS..Hα-helixtrans-71-33.8-174.4-680000113.5W438 L445 L446W438-C442 PolarHBondContact NE1-SG 2.93Å; W438-C442 VanDerWaalsContact NE1-SG 3.36Å; W438-C442 WeakPolarHBondContact O-CB 3.5Å; W438-C442 PolarHBondContact O-N 3.49Å; W438-C442 PolarHBondContact O-SG 2.89Å; W438-C442 VanDerWaalsContact O-SG 3.33Å; C442-L445 WeakPolarHBondContact O-CB 3.29Å; C442-L445 PolarHBondContact O-N 3.09Å; C442-L446 WeakPolarHBondContact O-CB 3.26Å; C442-L446 PolarHBondContact O-N 3.44Å
443I58.9Low56.3Low27 Ų2766.8 Ų66.814%0.13833%0.331CS..Hα-helixtrans-73.1-45.4-172.8-68.3174.4000112.5C413 L416 R439 L445 L446 R447C413-I443 HydrophobicContact CB-CG2 3.48Å; C413-I443 VanDerWaalsContact CB-CG2 3.48Å; C413-I443 WeakPolarHBondContact SG-CG2 3.36Å; L416-I443 HydrophobicContact CB-CD1 3.8Å; L416-I443 HydrophobicContact CD1-CD1 3.86Å; R439-I443 HydrophobicContact CB-CD1 4.02Å; R439-I443 VanDerWaalsContact O-CB 3.24Å; R439-I443 WeakPolarHBondContact O-CB 3.33Å; R439-I443 WeakPolarHBondContact O-CD1 3.3Å; R439-I443 WeakPolarHBondContact O-CG1 3.2Å; R439-I443 PolarHBondContact O-N 3.02Å; R439-I443 VanDerWaalsContact O-N 3.15Å; I443-L445 VanDerWaalsContact C-N 3.28Å; I443-L445 PolarHBondContact O-N 3.28Å; I443-L446 PolarHBondContact O-N 3.1Å; I443-R447 PolarHBondContact O-N 3.18Å
444P55.2Low57.1Low12 Ų1266.9 Ų66.98%0.07833%0.329CS..Hα-helixtrans-64.2-32.6172-21.433000113L119 V124 L440 R447 T448L119-P444 WeakPolarHBondContact O-CB 3.27Å; V124-P444 HydrophobicContact CG2-CG 4.25Å; L440-P444 WeakPolarHBondContact O-CD 3.16Å; L440-P444 WeakPolarHBondContact O-CG 3.2Å; P444-R447 PolarHBondContact O-N 3.37Å; P444-T448 WeakPolarHBondContact O-CB 3.46Å; P444-T448 PolarHBondContact O-N 3.27Å; P444-T448 PolarHBondContact O-OG1 3.29Å
445L57.6Low57.6Low62 Ų6269.6 Ų69.633%0.32534%0.343SS..Hα-helixtrans-63.3-46.5173.3-75.3171.4000111.2L116 L119 L441 C442 I443 T448 W449L116-L445 HydrophobicContact CD2-CD2 4.17Å; L119-L445 HydrophobicContact CD1-CD2 3.41Å; L119-L445 VanDerWaalsContact CD1-CD2 3.41Å; L441-L445 HydrophobicContact CD2-CD1 4.45Å; L441-L445 VanDerWaalsContact O-CD1 3.3Å; L441-L445 WeakPolarHBondContact O-CD1 3.39Å; L441-L445 VanDerWaalsContact O-CG 3.24Å; L441-L445 WeakPolarHBondContact O-CG 3.31Å; C442-L445 WeakPolarHBondContact O-CB 3.29Å; C442-L445 PolarHBondContact O-N 3.09Å; I443-L445 VanDerWaalsContact C-N 3.28Å; I443-L445 PolarHBondContact O-N 3.28Å; L445-T448 PolarHBondContact O-N 2.97Å; L445-W449 VanDerWaalsContact O-CB 3.25Å; L445-W449 WeakPolarHBondContact O-CB 3.33Å; L445-W449 PolarHBondContact O-N 3.28Å
446L60.4Low58.5Low108 Ų10869.3 Ų69.357%0.56533%0.334SS*.Hα-helixtrans-61-43.8173.2-98149.2000112C442 I443 T448 W449 F450C442-L446 WeakPolarHBondContact O-CB 3.26Å; C442-L446 PolarHBondContact O-N 3.44Å; I443-L446 PolarHBondContact O-N 3.1Å; L446-T448 PolarHBondContact O-N 3.26Å; L446-W449 PolarHBondContact O-N 2.8Å; L446-F450 WeakPolarHBondContact O-CB 2.96Å; L446-F450 PolarHBondContact O-N 3.32Å
447R60.6Low59.8Low74 Ų7468.6 Ų68.628%0.27932%0.322SS..Hα-helixtrans-58.7-47.9175.8176.6-179.8168.8168.9-4.6111.7D410 I443 P444 F450 Y451D410-R447 IonicContact OD1-CZ 3.26Å; D410-R447 IonicContact OD1-NE 3.01Å; D410-R447 PolarHBondContact OD1-NE 2.86Å; D410-R447 IonicContact OD1-NH1 2.74Å; D410-R447 PolarHBondContact OD1-NH1 2.93Å; D410-R447 IonicContact OD2-CZ 3.6Å; D410-R447 IonicContact OD2-NH1 3.63Å; D410-R447 IonicContact OD2-NH2 3.77Å; I443-R447 PolarHBondContact O-N 3.18Å; P444-R447 PolarHBondContact O-N 3.37Å; R447-F450 PolarHBondContact O-N 3.25Å; R447-Y451 HydrophobicContact CG-CD2 4.16Å; R447-Y451 WeakPolarHBondContact O-CB 3.46Å; R447-Y451 PolarHBondContact O-N 3.43Å
448T59.6Low61.3Low52 Ų5268 Ų6832%0.31932%0.318SS..Hα-helixtrans-70.9-36-177.5-47.90000111.5L119 P444 L445 L446 G452L119-T448 VanDerWaalsContact CD2-CB 3.43Å; L119-T448 HydrophobicContact CD2-CG2 3.62Å; L119-T448 WeakPolarHBondContact CD2-OG1 3.42Å; P444-T448 WeakPolarHBondContact O-CB 3.46Å; P444-T448 PolarHBondContact O-N 3.27Å; P444-T448 PolarHBondContact O-OG1 3.29Å; L445-T448 PolarHBondContact O-N 2.97Å; L446-T448 PolarHBondContact O-N 3.26Å; T448-G452 PolarHBondContact O-N 2.83Å
449W62.3Low62.9Low105 Ų10562.1 Ų62.140%0.39830%0.299SS..Hα-helixtrans-59.9-49.8170.4-169.985.3000110.6L445 L446 Y451 G452 V453 F494 Y495L445-W449 VanDerWaalsContact O-CB 3.25Å; L445-W449 WeakPolarHBondContact O-CB 3.33Å; L445-W449 PolarHBondContact O-N 3.28Å; L446-W449 PolarHBondContact O-N 2.8Å; W449-Y451 PolarHBondContact O-N 3.18Å; W449-G452 PolarHBondContact O-N 2.93Å; W449-V453 VanDerWaalsContact O-CG2 3.25Å; W449-V453 WeakPolarHBondContact O-CG2 3.16Å; W449-V453 PolarHBondContact O-N 3.38Å; W449-F494 AromaticContact CD1-CE2 3.76Å; W449-Y495 AromaticContact NE1-CZ 3.72Å; W449-Y495 PolarHBondContact NE1-OH 3.38Å
450F66Low64.4Low106 Ų10659.6 Ų59.647%0.46529%0.291SS..Hα-helixtrans-62.7-43.6179.2-139.5-88.2000112.7I409 L446 R447 G452 V453I409-F450 HydrophobicContact CD1-CD1 4.39Å; L446-F450 WeakPolarHBondContact O-CB 2.96Å; L446-F450 PolarHBondContact O-N 3.32Å; R447-F450 PolarHBondContact O-N 3.25Å; F450-G452 VanDerWaalsContact C-N 3.28Å; F450-G452 PolarHBondContact O-N 2.92Å; F450-V453 PolarHBondContact O-N 2.74Å
451Y61.7Low65.9Low94 Ų9457.2 Ų57.237%0.36928%0.28SS..Hα-helixtrans-68.2-25.6177-105.2-81.9000113.7L407 R447 W449 K456L407-Y451 HydrophobicContact CD1-CE2 4.24Å; L407-Y451 WeakPolarHBondContact CD1-OH 3.37Å; R447-Y451 HydrophobicContact CG-CD2 4.16Å; R447-Y451 WeakPolarHBondContact O-CB 3.46Å; R447-Y451 PolarHBondContact O-N 3.43Å; W449-Y451 PolarHBondContact O-N 3.18Å; Y451-K456 WeakPolarHBondContact O-CE 3.13Å
452G59.4Low67.2Low4 Ų454.6 Ų54.64%0.04127%0.268CS..Hα-helixtrans-73.4-27.3177.100000113.5T448 W449 F450 N497T448-G452 PolarHBondContact O-N 2.83Å; W449-G452 PolarHBondContact O-N 2.93Å; F450-G452 VanDerWaalsContact C-N 3.28Å; F450-G452 PolarHBondContact O-N 2.92Å; G452-N497 WeakPolarHBondContact O-CB 3.27Å; G452-N497 PolarHBondContact O-ND2 2.87Å
453V63.3Low68.4Low57 Ų5755.5 Ų55.535%0.34527%0.27SS..Hα-helixtrans-89.6-14.8-171.8179.80000113.3W449 F450 G496W449-V453 VanDerWaalsContact O-CG2 3.25Å; W449-V453 WeakPolarHBondContact O-CG2 3.16Å; W449-V453 PolarHBondContact O-N 3.38Å; F450-V453 PolarHBondContact O-N 2.74Å; V453-G496 WeakPolarHBondContact CG2-O 3.27Å
454L63.4Low69.4Low85 Ų8558 Ų5845%0.44529%0.287SS..SBendtrans-71.7156.7179.4-72.1165.2000112.9K456L454-K456 VanDerWaalsContact O-CG 3.26Å; L454-K456 WeakPolarHBondContact O-CG 3.29Å; L454-K456 PolarHBondContact O-N 3.05Å; L454-K456 VanDerWaalsContact O-N 3.11Å
455K55.1Low70.6Confident158 Ų15867.3 Ų67.369%0.68733%0.33SS*.  trans-59.1113.2179.9-154.9-170.8-176.9-161.30110.4
456K68.8Low71.8Confident54 Ų5467.1 Ų67.124%0.23533%0.331CS..  trans-131.12.1-172.3-73.9-125-162.6173.40114.1Y451 L454 W489 K490 A491Y451-K456 WeakPolarHBondContact O-CE 3.13Å; L454-K456 VanDerWaalsContact O-CG 3.26Å; L454-K456 WeakPolarHBondContact O-CG 3.29Å; L454-K456 PolarHBondContact O-N 3.05Å; L454-K456 VanDerWaalsContact O-N 3.11Å; K456-W489 HydrophobicContact CB-CD2 4.46Å; K456-W489 HydrophobicContact CB-CE3 4.24Å; K456-W489 HydrophobicContact CB-CH2 4.23Å; K456-W489 HydrophobicContact CB-CZ2 4.42Å; K456-W489 HydrophobicContact CB-CZ3 4.14Å; K456-K490 HydrophobicContact CB-CB 4.29Å; K456-K490 HydrophobicContact CD-CB 3.84Å; K456-K490 VanDerWaalsContact CD-O 3.31Å; K456-K490 WeakPolarHBondContact CD-O 3.46Å; K456-K490 PolarHBondContact NZ-O 3.27Å; K456-K490 VanDerWaalsContact NZ-O 3.07Å; K456-K490 PolarHBondContact O-N 3.31Å; K456-A491 HydrophobicContact CD-CB 3.83Å; K456-A491 HydrophobicContact CG-CB 4.5Å
457L77.8Confident72.7Confident21 Ų2169.3 Ų69.311%0.1134%0.344CS..EExtended strand (participates in β ladder)trans-79125.9173.8-164.880.7000109.5V487 W489 Q504 V505 E508L457-V487 HydrophobicContact CD1-CB 4.26Å; L457-V487 HydrophobicContact CD1-CG1 3.41Å; L457-V487 VanDerWaalsContact CD1-CG1 3.41Å; L457-V487 HydrophobicContact CD2-CG1 3.77Å; L457-V487 HydrophobicContact CG-CG1 3.41Å; L457-V487 VanDerWaalsContact CG-CG1 3.41Å; L457-W489 HydrophobicContact CB-CE3 3.98Å; L457-W489 HydrophobicContact CB-CZ3 3.98Å; L457-W489 HydrophobicContact CD1-CE3 3.88Å; L457-W489 HydrophobicContact CD1-CZ3 4.44Å; L457-Q504 HydrophobicContact CB-CB 4.16Å; L457-Q504 HydrophobicContact CD2-CB 3.92Å; L457-Q504 WeakPolarHBondContact CD2-O 3.32Å; L457-V505 HydrophobicContact CD1-CG2 3.64Å; L457-V505 HydrophobicContact CD2-CG2 4.31Å; L457-E508 HydrophobicContact CD2-CB 4.4Å; L457-E508 HydrophobicContact CD2-CG 3.95Å
458S84.9Confident73.6Confident11 Ų1171 Ų718%0.07736%0.358CS..EExtended strand (participates in β ladder)trans-125.7135.3175.7-82.60000109.5D471 V487 T488 K490S458-D471 WeakPolarHBondContact CB-OD1 3.38Å; S458-D471 WeakPolarHBondContact CB-OD2 3.3Å; S458-D471 VanDerWaalsContact OG-CG 3.3Å; S458-D471 PolarHBondContact OG-OD1 3.14Å; S458-D471 PolarHBondContact OG-OD2 3.01Å; S458-V487 WeakPolarHBondContact O-CA 3.43Å; S458-V487 WeakPolarHBondContact O-CG1 3.42Å; S458-T488 PolarHBondContact N-O 3.11Å; S458-T488 VanDerWaalsContact N-O 3.09Å; S458-T488 PolarHBondContact O-N 3.34Å; S458-K490 WeakPolarHBondContact OG-CE 3.47Å; S458-K490 PolarHBondContact OG-NZ 2.85Å
459V85.7Confident74.8Confident32 Ų3273.7 Ų73.719%0.19436%0.363CS..EExtended strand (participates in β ladder)trans-90.4129.2175.6-177.20000108.1R472 V487 E508V459-R472 WeakPolarHBondContact O-CB 3.38Å; V459-R472 PolarHBondContact O-N 2.63Å; V459-V487 HydrophobicContact CG2-CG1 4.38Å; V459-E508 HydrophobicContact CG2-CG 4.21Å
460L86.4Confident75.8Confident29 Ų2970.2 Ų70.215%0.15235%0.354CS..EExtended strand (participates in β ladder)trans-95.7138.7-177.8-66.4175.1000111.1C470 I486 T488 D567L460-C470 CarbonylContact C-O 3.43Å; L460-C470 VanDerWaalsContact CA-O 3.31Å; L460-C470 WeakPolarHBondContact CA-O 3.29Å; L460-I486 HydrophobicContact CB-CB 4.11Å; L460-I486 HydrophobicContact CB-CG2 4.05Å; L460-I486 HydrophobicContact CD1-CG2 3.83Å; L460-I486 HydrophobicContact CG-CG2 4.44Å; L460-I486 PolarHBondContact N-O 3Å; L460-T488 HydrophobicContact CD1-CG2 4.15Å; L460-T488 HydrophobicContact CD2-CG2 4Å; L460-T488 HydrophobicContact CG-CG2 3.99Å; L460-D567 HydrophobicContact CD1-CB 4.41Å
461G83.6Confident76.6Confident5 Ų566.3 Ų66.35%0.05234%0.338CS..EExtended strand (participates in β ladder)trans-117.8154.3168.800000111Y469 C470G461-Y469 CarbonylContact O-C 3.56Å; G461-Y469 VanDerWaalsContact O-CA 3.31Å; G461-Y469 WeakPolarHBondContact O-CA 3.49Å; G461-C470 PolarHBondContact N-O 2.87Å; G461-C470 PolarHBondContact O-N 3.25Å
462A83.2Confident77.3Confident11 Ų1169.1 Ų69.19%0.09135%0.348CS..EExtended strand (participates in β ladder)trans-83.9141.8179.300000110.7Y469 S479A462-Y469 HydrophobicContact CB-CD1 4.07Å; A462-Y469 HydrophobicContact CB-CE1 3.76Å; A462-S479 PolarHBondContact N-O 3.34Å; A462-S479 PolarHBondContact O-N 2.73Å; A462-S479 PolarHBondContact O-OG 3.21Å
463I83.6Confident78.1Confident59 Ų5975.9 Ų75.930%0.30338%0.383SS..PPolyproline II helixtrans-81.7128.1165.8-64.6170.8000107.6Q465 T466 L468 L478I463-Q465 PolarHBondContact O-N 2.9Å; I463-T466 VanDerWaalsContact CB-OG1 3.3Å; I463-T466 WeakPolarHBondContact CB-OG1 3.39Å; I463-T466 HydrophobicContact CG2-CG2 4.35Å; I463-T466 PolarHBondContact O-N 3.19Å; I463-T466 PolarHBondContact O-OG1 3.47Å; I463-L468 HydrophobicContact CD1-CB 4.12Å; I463-L468 PolarHBondContact N-O 2.94Å; I463-L478 HydrophobicContact CB-CD2 4.48Å; I463-L478 HydrophobicContact CG1-CD2 3.49Å; I463-L478 VanDerWaalsContact CG1-CD2 3.49Å
464P79.7Confident78.7Confident78 Ų7876.9 Ų76.951%0.50639%0.393SS..THydrogen-bonded Turntrans-52.7137.7-178.4-24.332000112.6T466P464-T466 PolarHBondContact O-N 2.88Å
465Q80.3Confident79.4Confident208 Ų20879.7 Ų79.797%0.97240%0.398SS*.THydrogen-bonded Turntrans6219.2178.7-53.5-178.5-11.700115.4I463I463-Q465 PolarHBondContact O-N 2.9Å
466T82.5Confident80.2Confident58 Ų5881.8 Ų81.836%0.35641%0.411SS..SBendtrans-138.9161.917470.20000111.4I463 P464 L468I463-T466 VanDerWaalsContact CB-OG1 3.3Å; I463-T466 WeakPolarHBondContact CB-OG1 3.39Å; I463-T466 HydrophobicContact CG2-CG2 4.35Å; I463-T466 PolarHBondContact O-N 3.19Å; I463-T466 PolarHBondContact O-OG1 3.47Å; P464-T466 PolarHBondContact O-N 2.88Å; T466-L468 PolarHBondContact O-N 3.44Å
467D79.6Confident80.3Confident154 Ų15487.8 Ų87.882%0.82444%0.44SS*.SBendtrans-86.511.4179-34.1-13.3000111.4Y469D467-Y469 WeakPolarHBondContact O-CD2 3.15Å
468L79.2Confident80.2Confident110 Ų11088.1 Ų88.158%0.57644%0.441SS*.  trans-93.8124.8-171.6-71.6165.1000110.9I463 T466I463-L468 HydrophobicContact CD1-CB 4.12Å; I463-L468 PolarHBondContact N-O 2.94Å; T466-L468 PolarHBondContact O-N 3.44Å
469Y85.2Confident79.5Confident109 Ų10990.1 Ų90.143%0.42746%0.456SS..EExtended strand (participates in β ladder)trans-107.2124.5176.5-68.9-88.5000110.2G461 A462 D467 I486G461-Y469 CarbonylContact O-C 3.56Å; G461-Y469 VanDerWaalsContact O-CA 3.31Å; G461-Y469 WeakPolarHBondContact O-CA 3.49Å; A462-Y469 HydrophobicContact CB-CD1 4.07Å; A462-Y469 HydrophobicContact CB-CE1 3.76Å; D467-Y469 WeakPolarHBondContact O-CD2 3.15Å; Y469-I486 HydrophobicContact CD1-CD1 3.58Å; Y469-I486 HydrophobicContact CE1-CD1 3.26Å; Y469-I486 HydrophobicContact CG-CD1 4.37Å
470C83.4Confident78.7Confident31 Ų3192.6 Ų92.621%0.20947%0.474CS..EExtended strand (participates in β ladder)trans-122.9160.8-177.3-74.60000111.9L460 G461 R472 Y475 L478L460-C470 CarbonylContact C-O 3.43Å; L460-C470 VanDerWaalsContact CA-O 3.31Å; L460-C470 WeakPolarHBondContact CA-O 3.29Å; G461-C470 PolarHBondContact N-O 2.87Å; G461-C470 PolarHBondContact O-N 3.25Å; C470-R472 PolarHBondContact O-N 3.17Å; C470-Y475 HydrophobicContact CB-CD2 3.88Å; C470-Y475 HydrophobicContact CB-CE2 4.14Å; C470-L478 HydrophobicContact CB-CD1 4.01Å; C470-L478 HydrophobicContact CB-CD2 3.92Å
471D81.8Confident78Confident25 Ų2594.1 Ų94.113%0.13449%0.485CS..EExtended strand (participates in β ladder)trans-67.2122.1-178-154.6-12.3000110.4S458 D473 S474 Y475 L478 K490S458-D471 WeakPolarHBondContact CB-OD1 3.38Å; S458-D471 WeakPolarHBondContact CB-OD2 3.3Å; S458-D471 VanDerWaalsContact OG-CG 3.3Å; S458-D471 PolarHBondContact OG-OD1 3.14Å; S458-D471 PolarHBondContact OG-OD2 3.01Å; D471-D473 PolarHBondContact O-N 3.39Å; D471-S474 PolarHBondContact O-N 2.89Å; D471-Y475 PolarHBondContact O-N 2.94Å; D471-L478 WeakPolarHBondContact O-CD1 3.4Å; D471-K490 IonicContact OD2-NZ 2.68Å; D471-K490 PolarHBondContact OD2-NZ 3.31Å
472R77.1Confident77.2Confident153 Ų153100.1 Ų100.158%0.57752%0.516SS*.THydrogen-bonded Turntrans-61.5-31.7-174.5-168.6-180173.5-176.50112.7V459 C470 S474V459-R472 WeakPolarHBondContact O-CB 3.38Å; V459-R472 PolarHBondContact O-N 2.63Å; C470-R472 PolarHBondContact O-N 3.17Å; R472-S474 PolarHBondContact O-N 2.93Å
473D75.6Confident76.7Confident146 Ų146101.3 Ų101.378%0.78153%0.528SS*.THydrogen-bonded Turntrans-74.7-12.2178.2-67-20.4000112.8D471D471-D473 PolarHBondContact O-N 3.39Å
474S76.2Confident76.4Confident78 Ų78101.1 Ų101.155%0.54553%0.528SS..THydrogen-bonded Turntrans-103-21.2-175.1-58.40000114.2D471 R472D471-S474 PolarHBondContact O-N 2.89Å; R472-S474 PolarHBondContact O-N 2.93Å
475Y77.3Confident76.6Confident143 Ų14398.6 Ų98.656%0.56151%0.509SS*.  trans-138.5129-176.4-60.6-89.1000110.4C470 D471C470-Y475 HydrophobicContact CB-CD2 3.88Å; C470-Y475 HydrophobicContact CB-CE2 4.14Å; D471-Y475 PolarHBondContact O-N 2.94Å
476E72.4Confident76.9Confident203 Ų20389.4 Ų89.495%0.94947%0.467SS*.THydrogen-bonded Turntrans-76.6-27.6-176.2-70.8-177.4162.700113.5L478E476-L478 VanDerWaalsContact C-N 3.32Å; E476-L478 PolarHBondContact O-N 2.82Å
477E72.2Confident77.1Confident179 Ų17986.9 Ų86.984%0.83645%0.451SS*.THydrogen-bonded Turntrans-88.523.9-172.2-63.6-174.4165.200115.1
478L75.5Confident77.5Confident28 Ų2879.8 Ų79.815%0.14741%0.414CS..PPolyproline II helixtrans-90.1131.4-175.6-66.8169.5000112.7I463 C470 D471 E476I463-L478 HydrophobicContact CB-CD2 4.48Å; I463-L478 HydrophobicContact CG1-CD2 3.49Å; I463-L478 VanDerWaalsContact CG1-CD2 3.49Å; C470-L478 HydrophobicContact CB-CD1 4.01Å; C470-L478 HydrophobicContact CB-CD2 3.92Å; D471-L478 WeakPolarHBondContact O-CD1 3.4Å; E476-L478 VanDerWaalsContact C-N 3.32Å; E476-L478 PolarHBondContact O-N 2.82Å
479S69Low77.8Confident54 Ų5474.7 Ų74.738%0.37839%0.387SS..BIsolated β-bridgetrans-90.9133.9175.160.30000111.5A462A462-S479 PolarHBondContact N-O 3.34Å; A462-S479 PolarHBondContact O-N 2.73Å; A462-S479 PolarHBondContact O-OG 3.21Å
480S69Low77.6Confident83 Ų8373.3 Ų73.358%0.5838%0.383SS*.PPolyproline II helixtrans-86.5133.917052.10000109.8D482S480-D482 PolarHBondContact O-N 2.89Å
481V71.3Confident77.2Confident62 Ų6271.9 Ų71.938%0.37637%0.373SS..PPolyproline II helixtrans-77.4120.3174.3-176.60000108.5G483 I484V481-G483 PolarHBondContact O-N 3.04Å; V481-I484 HydrophobicContact CB-CB 4.22Å; V481-I484 HydrophobicContact CG1-CB 4.27Å; V481-I484 HydrophobicContact CG1-CD1 3.8Å; V481-I484 HydrophobicContact CG1-CG1 4.01Å; V481-I484 PolarHBondContact O-N 3.44Å
482D67.3Low76.8Confident131 Ų13172.6 Ų72.670%0.70138%0.38SS*.THydrogen-bonded Turntrans-56.6125.6-177.2-86.7-20.4000111.8S480 I484S480-D482 PolarHBondContact O-N 2.89Å; D482-I484 VanDerWaalsContact C-N 3.32Å; D482-I484 PolarHBondContact O-N 3.19Å
483G72Confident76.7Confident35 Ų3565.4 Ų65.436%0.36135%0.352SS..THydrogen-bonded Turntrans79.81.6-178.500000115.2V481 P562 F563V481-G483 PolarHBondContact O-N 3.04Å; G483-P562 CarbonylContact O-C 3.59Å; G483-P562 VanDerWaalsContact O-CA 3.23Å; G483-P562 WeakPolarHBondContact O-CA 3.29Å; G483-F563 PolarHBondContact O-N 3.39Å
484I79Confident76.5Confident56 Ų5660.3 Ų60.329%0.28732%0.324SS..EExtended strand (participates in β ladder)trans-122124.9179.1-49-172.3000110.8V481 D482 I486 F563 I565V481-I484 HydrophobicContact CB-CB 4.22Å; V481-I484 HydrophobicContact CG1-CB 4.27Å; V481-I484 HydrophobicContact CG1-CD1 3.8Å; V481-I484 HydrophobicContact CG1-CG1 4.01Å; V481-I484 PolarHBondContact O-N 3.44Å; D482-I484 VanDerWaalsContact C-N 3.32Å; D482-I484 PolarHBondContact O-N 3.19Å; I484-I486 HydrophobicContact CG2-CG1 3.98Å; I484-F563 CarbonylContact C-O 3.55Å; I484-F563 WeakPolarHBondContact CA-O 3.12Å; I484-F563 HydrophobicContact CG1-CB 4.17Å; I484-F563 HydrophobicContact CG1-CD2 4.38Å; I484-F563 HydrophobicContact CG2-CB 4.28Å; I484-I565 HydrophobicContact CG2-CD1 3.78Å; I484-I565 HydrophobicContact CG2-CG1 4.06Å
485I82.1Confident76.3Confident24 Ų2464.1 Ų64.112%0.12333%0.327CS..EExtended strand (participates in β ladder)trans-109.1119.6173.8-63.8170.9000108.4V487 S512 F563 L564 I565I485-V487 HydrophobicContact CG2-CG2 3.8Å; I485-S512 VanDerWaalsContact CD1-CB 3.43Å; I485-F563 PolarHBondContact N-O 3.13Å; I485-L564 HydrophobicContact CB-CD1 4.22Å; I485-L564 HydrophobicContact CG2-CD1 4.02Å; I485-L564 CarbonylContact O-C 3.56Å; I485-L564 WeakPolarHBondContact O-CA 3.44Å; I485-I565 PolarHBondContact O-N 2.96Å
486I87Confident75.9Confident16 Ų1658.2 Ų58.28%0.08231%0.31CS..EExtended strand (participates in β ladder)trans-109.3124.4177.8-48.7-179.1000108.9L460 Y469 I484 I565L460-I486 HydrophobicContact CB-CB 4.11Å; L460-I486 HydrophobicContact CB-CG2 4.05Å; L460-I486 HydrophobicContact CD1-CG2 3.83Å; L460-I486 HydrophobicContact CG-CG2 4.44Å; L460-I486 PolarHBondContact N-O 3Å; Y469-I486 HydrophobicContact CD1-CD1 3.58Å; Y469-I486 HydrophobicContact CE1-CD1 3.26Å; Y469-I486 HydrophobicContact CG-CD1 4.37Å; I484-I486 HydrophobicContact CG2-CG1 3.98Å; I486-I565 WeakPolarHBondContact CA-O 3.39Å; I486-I565 HydrophobicContact CB-CB 4.44Å; I486-I565 HydrophobicContact CD1-CD1 4.38Å; I486-I565 HydrophobicContact CG1-CB 4.13Å; I486-I565 HydrophobicContact CG1-CD1 4.21Å; I486-I565 HydrophobicContact CG1-CG1 4.47Å; I486-I565 HydrophobicContact CG2-CB 4.2Å; I486-I565 HydrophobicContact CG2-CG2 4.24Å
487V87.3Confident76.1Confident4 Ų448.6 Ų48.62%0.02427%0.265CS..EExtended strand (participates in β ladder)trans-128.8126.1-176.3-139.20000110.3L457 S458 V459 I485 L564 I565 L566 D567L457-V487 HydrophobicContact CD1-CB 4.26Å; L457-V487 HydrophobicContact CD1-CG1 3.41Å; L457-V487 VanDerWaalsContact CD1-CG1 3.41Å; L457-V487 HydrophobicContact CD2-CG1 3.77Å; L457-V487 HydrophobicContact CG-CG1 3.41Å; L457-V487 VanDerWaalsContact CG-CG1 3.41Å; S458-V487 WeakPolarHBondContact O-CA 3.43Å; S458-V487 WeakPolarHBondContact O-CG1 3.42Å; V459-V487 HydrophobicContact CG2-CG1 4.38Å; I485-V487 HydrophobicContact CG2-CG2 3.8Å; V487-L564 HydrophobicContact CG2-CD1 3.66Å; V487-I565 PolarHBondContact N-O 3.27Å; V487-L566 HydrophobicContact CB-CD2 4.37Å; V487-L566 HydrophobicContact CG2-CD2 4.46Å; V487-L566 WeakPolarHBondContact O-CA 3.49Å; V487-D567 PolarHBondContact O-N 3.4Å
488T88Confident76.2Confident6 Ų640.2 Ų40.24%0.03723%0.227CC..EExtended strand (participates in β ladder)trans-104.9134177.5-170.30000110.5S458 L460 D567S458-T488 PolarHBondContact N-O 3.11Å; S458-T488 VanDerWaalsContact N-O 3.09Å; S458-T488 PolarHBondContact O-N 3.34Å; L460-T488 HydrophobicContact CD1-CG2 4.15Å; L460-T488 HydrophobicContact CD2-CG2 4Å; L460-T488 HydrophobicContact CG-CG2 3.99Å; T488-D567 WeakPolarHBondContact CB-OD2 3.24Å; T488-D567 PolarHBondContact OG1-OD2 3.35Å
489W85.4Confident76.2Confident3 Ų345 Ų451%0.01125%0.246CC..EExtended strand (participates in β ladder)trans-107115.6175.6-175.7-109000110.8K456 L457 A491 L493 F501 D567 V571K456-W489 HydrophobicContact CB-CD2 4.46Å; K456-W489 HydrophobicContact CB-CE3 4.24Å; K456-W489 HydrophobicContact CB-CH2 4.23Å; K456-W489 HydrophobicContact CB-CZ2 4.42Å; K456-W489 HydrophobicContact CB-CZ3 4.14Å; L457-W489 HydrophobicContact CB-CE3 3.98Å; L457-W489 HydrophobicContact CB-CZ3 3.98Å; L457-W489 HydrophobicContact CD1-CE3 3.88Å; L457-W489 HydrophobicContact CD1-CZ3 4.44Å; W489-A491 VanDerWaalsContact C-N 3.31Å; W489-A491 PolarHBondContact NE1-O 2.89Å; W489-A491 VanDerWaalsContact NE1-O 3.09Å; W489-A491 PolarHBondContact O-N 2.79Å; W489-L493 HydrophobicContact CG-CD1 4.42Å; W489-F501 HydrophobicContact CB-CD2 4.29Å; W489-F501 HydrophobicContact CB-CE2 4.09Å; W489-F501 HydrophobicContact CD2-CB 4.48Å; W489-F501 AromaticContact CD2-CD2 3.52Å; W489-F501 HydrophobicContact CD2-CD2 3.52Å; W489-F501 HydrophobicContact CD2-CE2 4.22Å; W489-F501 HydrophobicContact CD2-CG 4.42Å; W489-F501 AromaticContact CE2-CD2 3.97Å; W489-F501 AromaticContact CE3-CD2 3.59Å; W489-F501 HydrophobicContact CE3-CD2 3.59Å; W489-F501 HydrophobicContact CE3-CE2 4.36Å; W489-F501 AromaticContact CG-CD2 3.83Å; W489-F501 HydrophobicContact CG-CD2 3.83Å; W489-F501 HydrophobicContact CG-CE2 4.11Å; W489-F501 HydrophobicContact CH2-CB 3.91Å; W489-F501 HydrophobicContact CH2-CD2 4.46Å; W489-F501 HydrophobicContact CZ2-CB 3.87Å; W489-F501 HydrophobicContact CZ2-CD2 4.44Å; W489-F501 HydrophobicContact CZ3-CB 4.24Å; W489-F501 HydrophobicContact CZ3-CD2 4.06Å; W489-D567 PolarHBondContact N-O 3.46Å; W489-V571 HydrophobicContact CB-CG2 4.33Å
490K80.4Confident76.7Confident79 Ų7944.1 Ų44.134%0.34324%0.24SC..  trans-87.822.9-169.9-62.2172.7178.4167.70114.6K456 S458 D471K456-K490 HydrophobicContact CB-CB 4.29Å; K456-K490 HydrophobicContact CD-CB 3.84Å; K456-K490 VanDerWaalsContact CD-O 3.31Å; K456-K490 WeakPolarHBondContact CD-O 3.46Å; K456-K490 PolarHBondContact NZ-O 3.27Å; K456-K490 VanDerWaalsContact NZ-O 3.07Å; K456-K490 PolarHBondContact O-N 3.31Å; S458-K490 WeakPolarHBondContact OG-CE 3.47Å; S458-K490 PolarHBondContact OG-NZ 2.85Å; D471-K490 IonicContact OD2-NZ 2.68Å; D471-K490 PolarHBondContact OD2-NZ 3.31Å
491A74.6Confident77.4Confident1 Ų140.2 Ų40.21%0.00821%0.212CC..SBendtrans-145.9155-179.200000113.4K456 W489K456-A491 HydrophobicContact CD-CB 3.83Å; K456-A491 HydrophobicContact CG-CB 4.5Å; W489-A491 VanDerWaalsContact C-N 3.31Å; W489-A491 PolarHBondContact NE1-O 2.89Å; W489-A491 VanDerWaalsContact NE1-O 3.09Å; W489-A491 PolarHBondContact O-N 2.79Å
492P73.6Confident77.6Confident41 Ų4138 Ų3827%0.26620%0.198SC..  trans-60.7150.1164.725.1-31.5000110.8N497 A573P492-N497 PolarHBondContact O-ND2 3.22Å; P492-N497 PolarHBondContact O-OD1 3.3Å; P492-A573 WeakPolarHBondContact CA-O 3.46Å; P492-A573 HydrophobicContact CB-CB 4.41Å; P492-A573 WeakPolarHBondContact CB-O 3.34Å
493L74.8Confident78Confident1 Ų135.5 Ų35.51%0.00519%0.188CC..BIsolated β-bridgetrans-106.3105.3-172-118.9139000109.7W489 A498 F501 F568 V571 A573 V574 D575 I582W489-L493 HydrophobicContact CG-CD1 4.42Å; L493-A498 HydrophobicContact CD2-CB 4.26Å; L493-F501 HydrophobicContact CD1-CD1 4.15Å; L493-F501 HydrophobicContact CD1-CD2 4.15Å; L493-F501 HydrophobicContact CD1-CE1 4.24Å; L493-F501 HydrophobicContact CD1-CE2 4.24Å; L493-F501 HydrophobicContact CD1-CG 4.09Å; L493-F501 HydrophobicContact CD1-CZ 4.27Å; L493-F501 HydrophobicContact CD2-CB 4.2Å; L493-F501 HydrophobicContact CD2-CD1 3.83Å; L493-F501 HydrophobicContact CD2-CE1 4.45Å; L493-F501 HydrophobicContact CD2-CG 4.07Å; L493-F501 HydrophobicContact CG-CG 4.41Å; L493-F568 HydrophobicContact CD1-CZ 4.14Å; L493-V571 HydrophobicContact CB-CG1 4.47Å; L493-A573 PolarHBondContact N-O 2.99Å; L493-V574 HydrophobicContact CB-CG1 4.47Å; L493-V574 HydrophobicContact CB-CG2 3.94Å; L493-V574 CarbonylContact O-C 3.55Å; L493-V574 VanDerWaalsContact O-CA 3.25Å; L493-V574 WeakPolarHBondContact O-CA 3.35Å; L493-D575 PolarHBondContact O-N 3.38Å; L493-I582 HydrophobicContact CD1-CD1 4.16Å; L493-I582 HydrophobicContact CD2-CD1 4.45Å
494F72.8Confident78.5Confident40 Ų4035.1 Ų35.118%0.17518%0.176CC..  trans-136175-17665.3-83.8000112.1W449 G496 N497 A498 D575W449-F494 AromaticContact CD1-CE2 3.76Å; F494-G496 VanDerWaalsContact CD2-N 3.27Å; F494-G496 PolarHBondContact O-N 3.2Å; F494-N497 HydrophobicContact CE1-CB 4.49Å; F494-N497 PolarHBondContact N-OD1 2.83Å; F494-N497 PolarHBondContact O-N 3.22Å; F494-N497 PolarHBondContact O-OD1 3.46Å; F494-A498 WeakPolarHBondContact O-CB 3.42Å; F494-A498 PolarHBondContact O-N 3.29Å; F494-D575 VanDerWaalsContact CA-OD1 3.29Å; F494-D575 WeakPolarHBondContact CA-OD1 3.34Å; F494-D575 WeakPolarHBondContact CA-OD2 3.18Å; F494-D575 HydrophobicContact CB-CB 4.32Å; F494-D575 WeakPolarHBondContact CB-OD2 3.23Å
495Y70.8Confident78.5Confident157 Ų15732.5 Ų32.562%0.61616%0.163SC*.THydrogen-bonded Turntrans-50.7-32.8-174.8102.4-90.7000114.3W449 D575 S577W449-Y495 AromaticContact NE1-CZ 3.72Å; W449-Y495 PolarHBondContact NE1-OH 3.38Å; Y495-D575 PolarHBondContact N-OD1 2.84Å; Y495-D575 PolarHBondContact N-OD2 3.01Å; Y495-S577 WeakPolarHBondContact CB-OG 3.2Å
496G69.8Low78.1Confident20 Ų2033.8 Ų33.821%0.20617%0.17CC..THydrogen-bonded Turntrans-72.8-27.9-178.200000114.1V453 F494V453-G496 WeakPolarHBondContact CG2-O 3.27Å; F494-G496 VanDerWaalsContact CD2-N 3.27Å; F494-G496 PolarHBondContact O-N 3.2Å
497N75.8Confident77.6Confident0 Ų040.7 Ų40.70%020%0.199CC..THydrogen-bonded Turntrans-124.1-7.3-174.170.2-8000115.4G452 P492 F494 K499 C500 F501G452-N497 WeakPolarHBondContact O-CB 3.27Å; G452-N497 PolarHBondContact O-ND2 2.87Å; P492-N497 PolarHBondContact O-ND2 3.22Å; P492-N497 PolarHBondContact O-OD1 3.3Å; F494-N497 HydrophobicContact CE1-CB 4.49Å; F494-N497 PolarHBondContact N-OD1 2.83Å; F494-N497 PolarHBondContact O-N 3.22Å; F494-N497 PolarHBondContact O-OD1 3.46Å; N497-K499 VanDerWaalsContact C-N 3.32Å; N497-K499 PolarHBondContact O-N 3.34Å; N497-C500 WeakPolarHBondContact O-CA 3.23Å; N497-C500 WeakPolarHBondContact O-CB 3.23Å; N497-C500 PolarHBondContact O-N 3.28Å; N497-F501 PolarHBondContact O-N 3.5Å
498A75Confident77Confident4 Ų442.2 Ų42.23%0.03321%0.206CC..Hα-helixtrans-54.1-43.9-179.800000113.3L493 F494 C500 F501 E502 S581L493-A498 HydrophobicContact CD2-CB 4.26Å; F494-A498 WeakPolarHBondContact O-CB 3.42Å; F494-A498 PolarHBondContact O-N 3.29Å; A498-C500 VanDerWaalsContact C-N 3.35Å; A498-C500 PolarHBondContact O-N 3.48Å; A498-F501 WeakPolarHBondContact O-CB 3.37Å; A498-F501 PolarHBondContact O-N 3.08Å; A498-E502 PolarHBondContact O-N 3.34Å; A498-E502 VanDerWaalsContact O-N 3.09Å; A498-S581 WeakPolarHBondContact CB-OG 3.13Å; A498-S581 PolarHBondContact O-OG 2.84Å
499K75.8Confident76.3Confident127 Ų12742.4 Ų42.455%0.55221%0.207SC*.Hα-helixtrans-66.7-35.5176-155.378.1-167.5147.10112.7N497 E502 T503N497-K499 VanDerWaalsContact C-N 3.32Å; N497-K499 PolarHBondContact O-N 3.34Å; K499-E502 IonicContact NZ-OE1 3.22Å; K499-E502 PolarHBondContact NZ-OE1 2.83Å; K499-E502 IonicContact NZ-OE2 2.79Å; K499-E502 PolarHBondContact NZ-OE2 2.91Å; K499-T503 WeakPolarHBondContact O-CB 3.49Å; K499-T503 PolarHBondContact O-N 2.97Å; K499-T503 PolarHBondContact O-OG1 2.64Å
500C78.8Confident75.6Confident37 Ų3747.1 Ų47.125%0.2523%0.232CC..Hα-helixtrans-69.1-42.6178.7-165.40000111N497 A498 T503 Q504N497-C500 WeakPolarHBondContact O-CA 3.23Å; N497-C500 WeakPolarHBondContact O-CB 3.23Å; N497-C500 PolarHBondContact O-N 3.28Å; A498-C500 VanDerWaalsContact C-N 3.35Å; A498-C500 PolarHBondContact O-N 3.48Å; C500-T503 PolarHBondContact O-N 2.94Å; C500-Q504 WeakPolarHBondContact O-CB 3.33Å; C500-Q504 WeakPolarHBondContact O-CG 3.23Å; C500-Q504 PolarHBondContact O-N 2.91Å; C500-Q504 PolarHBondContact SG-NE2 3.14Å
501F82.8Confident75.1Confident0 Ų051.5 Ų51.50%025%0.247CC..Hα-helixtrans-55-53.2171.7168.3-104.9000111.2W489 L493 N497 A498 T503 Q504 V505 L566 F568 I582 I590W489-F501 HydrophobicContact CB-CD2 4.29Å; W489-F501 HydrophobicContact CB-CE2 4.09Å; W489-F501 HydrophobicContact CD2-CB 4.48Å; W489-F501 AromaticContact CD2-CD2 3.52Å; W489-F501 HydrophobicContact CD2-CD2 3.52Å; W489-F501 HydrophobicContact CD2-CE2 4.22Å; W489-F501 HydrophobicContact CD2-CG 4.42Å; W489-F501 AromaticContact CE2-CD2 3.97Å; W489-F501 AromaticContact CE3-CD2 3.59Å; W489-F501 HydrophobicContact CE3-CD2 3.59Å; W489-F501 HydrophobicContact CE3-CE2 4.36Å; W489-F501 AromaticContact CG-CD2 3.83Å; W489-F501 HydrophobicContact CG-CD2 3.83Å; W489-F501 HydrophobicContact CG-CE2 4.11Å; W489-F501 HydrophobicContact CH2-CB 3.91Å; W489-F501 HydrophobicContact CH2-CD2 4.46Å; W489-F501 HydrophobicContact CZ2-CB 3.87Å; W489-F501 HydrophobicContact CZ2-CD2 4.44Å; W489-F501 HydrophobicContact CZ3-CB 4.24Å; W489-F501 HydrophobicContact CZ3-CD2 4.06Å; L493-F501 HydrophobicContact CD1-CD1 4.15Å; L493-F501 HydrophobicContact CD1-CD2 4.15Å; L493-F501 HydrophobicContact CD1-CE1 4.24Å; L493-F501 HydrophobicContact CD1-CE2 4.24Å; L493-F501 HydrophobicContact CD1-CG 4.09Å; L493-F501 HydrophobicContact CD1-CZ 4.27Å; L493-F501 HydrophobicContact CD2-CB 4.2Å; L493-F501 HydrophobicContact CD2-CD1 3.83Å; L493-F501 HydrophobicContact CD2-CE1 4.45Å; L493-F501 HydrophobicContact CD2-CG 4.07Å; L493-F501 HydrophobicContact CG-CG 4.41Å; N497-F501 PolarHBondContact O-N 3.5Å; A498-F501 WeakPolarHBondContact O-CB 3.37Å; A498-F501 PolarHBondContact O-N 3.08Å; F501-T503 VanDerWaalsContact C-N 3.35Å; F501-T503 PolarHBondContact O-N 3.14Å; F501-Q504 PolarHBondContact O-N 2.8Å; F501-V505 HydrophobicContact CD2-CG2 3.93Å; F501-V505 HydrophobicContact CE1-CG2 4.45Å; F501-V505 HydrophobicContact CE2-CG2 3.59Å; F501-V505 HydrophobicContact CZ-CG2 3.89Å; F501-V505 WeakPolarHBondContact O-CG2 3.46Å; F501-V505 PolarHBondContact O-N 3.27Å; F501-L566 HydrophobicContact CZ-CD1 4.42Å; F501-L566 HydrophobicContact CZ-CD2 4.32Å; F501-F568 HydrophobicContact CE2-CE1 4.48Å; F501-F568 HydrophobicContact CZ-CE1 4.21Å; F501-F568 HydrophobicContact CZ-CZ 4.27Å; F501-I582 HydrophobicContact CE1-CG1 4.27Å; F501-I590 HydrophobicContact CD1-CD1 4.14Å; F501-I590 HydrophobicContact CE1-CD1 3.73Å
502E76.1Confident74.6Confident16 Ų1653.2 Ų53.28%0.07526%0.259CS..Hα-helixtrans-54-50.4178.3-173.7-161.7146.600111.8A498 K499 Q504 V505 L506 Q589 I590A498-E502 PolarHBondContact O-N 3.34Å; A498-E502 VanDerWaalsContact O-N 3.09Å; K499-E502 IonicContact NZ-OE1 3.22Å; K499-E502 PolarHBondContact NZ-OE1 2.83Å; K499-E502 IonicContact NZ-OE2 2.79Å; K499-E502 PolarHBondContact NZ-OE2 2.91Å; E502-Q504 VanDerWaalsContact C-N 3.34Å; E502-Q504 PolarHBondContact O-N 3.41Å; E502-V505 PolarHBondContact O-N 3.06Å; E502-L506 HydrophobicContact CG-CD1 4.11Å; E502-L506 WeakPolarHBondContact O-CB 3.41Å; E502-L506 WeakPolarHBondContact O-CG 3.32Å; E502-L506 PolarHBondContact O-N 2.84Å; E502-Q589 PolarHBondContact OE1-OE1 2.75Å; E502-Q589 VanDerWaalsContact OE1-OE1 3.08Å; E502-I590 HydrophobicContact CB-CD1 4.23Å; E502-I590 HydrophobicContact CG-CD1 4.18Å; E502-I590 HydrophobicContact CG-CG1 4.15Å
503T76.8Confident74.1Confident79 Ų7953.3 Ų53.349%0.48525%0.254SS..Hα-helixtrans-65.3-37.2-177.5-45.50000112K499 C500 F501 K507K499-T503 WeakPolarHBondContact O-CB 3.49Å; K499-T503 PolarHBondContact O-N 2.97Å; K499-T503 PolarHBondContact O-OG1 2.64Å; C500-T503 PolarHBondContact O-N 2.94Å; F501-T503 VanDerWaalsContact C-N 3.35Å; F501-T503 PolarHBondContact O-N 3.14Å; T503-K507 WeakPolarHBondContact O-CB 3.44Å; T503-K507 PolarHBondContact O-N 3.49Å
504Q81.1Confident72.9Confident26 Ų2657 Ų5712%0.12128%0.28CS..Hα-helixtrans-73.3-43.3-179.8-74.6-179.231.100112.4L457 C500 F501 E502 L506 K507 E508L457-Q504 HydrophobicContact CB-CB 4.16Å; L457-Q504 HydrophobicContact CD2-CB 3.92Å; L457-Q504 WeakPolarHBondContact CD2-O 3.32Å; C500-Q504 WeakPolarHBondContact O-CB 3.33Å; C500-Q504 WeakPolarHBondContact O-CG 3.23Å; C500-Q504 PolarHBondContact O-N 2.91Å; C500-Q504 PolarHBondContact SG-NE2 3.14Å; F501-Q504 PolarHBondContact O-N 2.8Å; E502-Q504 VanDerWaalsContact C-N 3.34Å; E502-Q504 PolarHBondContact O-N 3.41Å; Q504-L506 VanDerWaalsContact C-N 3.31Å; Q504-L506 PolarHBondContact O-N 3.49Å; Q504-K507 WeakPolarHBondContact O-CB 3.47Å; Q504-K507 PolarHBondContact O-N 3.26Å; Q504-K507 VanDerWaalsContact O-N 3.16Å; Q504-E508 PolarHBondContact O-N 3.38Å; Q504-E508 VanDerWaalsContact O-N 3.12Å
505V79.1Confident71.6Confident2 Ų259.9 Ų59.91%0.01230%0.301CS..Hα-helixtrans-61-44.5176.6173.50000110L457 F501 E502 K507 E508 L509 L566 I590L457-V505 HydrophobicContact CD1-CG2 3.64Å; L457-V505 HydrophobicContact CD2-CG2 4.31Å; F501-V505 HydrophobicContact CD2-CG2 3.93Å; F501-V505 HydrophobicContact CE1-CG2 4.45Å; F501-V505 HydrophobicContact CE2-CG2 3.59Å; F501-V505 HydrophobicContact CZ-CG2 3.89Å; F501-V505 WeakPolarHBondContact O-CG2 3.46Å; F501-V505 PolarHBondContact O-N 3.27Å; E502-V505 PolarHBondContact O-N 3.06Å; V505-K507 VanDerWaalsContact C-N 3.3Å; V505-K507 PolarHBondContact O-N 2.97Å; V505-E508 PolarHBondContact O-N 2.89Å; V505-L509 HydrophobicContact CG1-CD1 3.86Å; V505-L509 PolarHBondContact O-N 3.44Å; V505-L566 HydrophobicContact CG2-CD2 4.48Å; V505-I590 HydrophobicContact CB-CD1 4.39Å; V505-I590 HydrophobicContact CG1-CD1 4.46Å; V505-I590 HydrophobicContact CG1-CG2 3.86Å
506L73.9Confident70.3Confident51 Ų5157.8 Ų57.827%0.26730%0.304SS..Hα-helixtrans-59.5-40.4174.6-80.8165.9000112.6E502 Q504 E508 L509 N510 L593E502-L506 HydrophobicContact CG-CD1 4.11Å; E502-L506 WeakPolarHBondContact O-CB 3.41Å; E502-L506 WeakPolarHBondContact O-CG 3.32Å; E502-L506 PolarHBondContact O-N 2.84Å; Q504-L506 VanDerWaalsContact C-N 3.31Å; Q504-L506 PolarHBondContact O-N 3.49Å; L506-E508 VanDerWaalsContact C-N 3.34Å; L506-E508 PolarHBondContact O-N 3.22Å; L506-L509 PolarHBondContact O-N 3.2Å; L506-N510 WeakPolarHBondContact O-CB 3.34Å; L506-N510 PolarHBondContact O-N 2.94Å; L506-L593 HydrophobicContact CD2-CD1 4.17Å; L506-L593 HydrophobicContact CD2-CD2 4.37Å
507K76.9Confident68.8Low160 Ų16066.3 Ų66.370%0.69633%0.33SS*.Hα-helixtrans-62.8-40.9179.4-139.5175.2-174.7178.80111.8T503 Q504 V505 R511T503-K507 WeakPolarHBondContact O-CB 3.44Å; T503-K507 PolarHBondContact O-N 3.49Å; Q504-K507 WeakPolarHBondContact O-CB 3.47Å; Q504-K507 PolarHBondContact O-N 3.26Å; Q504-K507 VanDerWaalsContact O-N 3.16Å; V505-K507 VanDerWaalsContact C-N 3.3Å; V505-K507 PolarHBondContact O-N 2.97Å; K507-R511 WeakPolarHBondContact O-CB 3.31Å; K507-R511 PolarHBondContact O-N 3.39Å; K507-R511 VanDerWaalsContact O-N 3.08Å
508E75.9Confident66.7Low37 Ų3770.1 Ų70.117%0.17336%0.362CS..Hα-helixtrans-78.2-31.8178.7-71.3-53.4163.800114.3L457 V459 Q504 V505 L506 R511 S512L457-E508 HydrophobicContact CD2-CB 4.4Å; L457-E508 HydrophobicContact CD2-CG 3.95Å; V459-E508 HydrophobicContact CG2-CG 4.21Å; Q504-E508 PolarHBondContact O-N 3.38Å; Q504-E508 VanDerWaalsContact O-N 3.12Å; V505-E508 PolarHBondContact O-N 2.89Å; L506-E508 VanDerWaalsContact C-N 3.34Å; L506-E508 PolarHBondContact O-N 3.22Å; E508-R511 PolarHBondContact O-N 3.25Å; E508-R511 IonicContact OE1-NH1 3.82Å; E508-R511 WeakPolarHBondContact OE2-CD 3.47Å; E508-S512 WeakPolarHBondContact O-CB 3.49Å; E508-S512 PolarHBondContact O-N 3.25Å; E508-S512 PolarHBondContact O-OG 3.37Å
509L72.9Confident64.7Low10 Ų1077.2 Ų77.25%0.05240%0.399CS..Hα-helixtrans-59.5-50.1169-83161.1000111V505 L506 R511 S512 W513 L564V505-L509 HydrophobicContact CG1-CD1 3.86Å; V505-L509 PolarHBondContact O-N 3.44Å; L506-L509 PolarHBondContact O-N 3.2Å; L509-R511 VanDerWaalsContact C-N 3.31Å; L509-R511 PolarHBondContact O-N 3.49Å; L509-S512 PolarHBondContact O-N 3.02Å; L509-W513 HydrophobicContact CD2-CD2 4.36Å; L509-W513 HydrophobicContact CD2-CE3 4.2Å; L509-W513 HydrophobicContact CD2-CH2 3.44Å; L509-W513 VanDerWaalsContact CD2-CH2 3.44Å; L509-W513 HydrophobicContact CD2-CZ2 3.62Å; L509-W513 HydrophobicContact CD2-CZ3 3.73Å; L509-W513 WeakPolarHBondContact O-CB 3.42Å; L509-W513 PolarHBondContact O-N 3.07Å; L509-L564 HydrophobicContact CD1-CD2 4.06Å; L509-L564 HydrophobicContact CD2-CD1 4.31Å; L509-L564 HydrophobicContact CD2-CD2 4.25Å
510N69Low62.2Low102 Ų10276.1 Ų76.155%0.54541%0.406SS..Hα-helixtrans-61.2-40.8177.7-108.7-1.9000112.1L506 S514L506-N510 WeakPolarHBondContact O-CB 3.34Å; L506-N510 PolarHBondContact O-N 2.94Å; N510-S514 WeakPolarHBondContact O-CB 3.44Å; N510-S514 PolarHBondContact O-N 3.3Å; N510-S514 PolarHBondContact O-OG 3.5Å; N510-S514 VanDerWaalsContact O-OG 3.13Å
511R70.2Confident59.6Low170 Ų17084.1 Ų84.164%0.64244%0.437SS*.Hα-helixtrans-63.3-49.3179.6-160.1179.6-169.8-174.7-2.2111.1K507 E508 L509 S514 T515K507-R511 WeakPolarHBondContact O-CB 3.31Å; K507-R511 PolarHBondContact O-N 3.39Å; K507-R511 VanDerWaalsContact O-N 3.08Å; E508-R511 PolarHBondContact O-N 3.25Å; E508-R511 IonicContact OE1-NH1 3.82Å; E508-R511 WeakPolarHBondContact OE2-CD 3.47Å; L509-R511 VanDerWaalsContact C-N 3.31Å; L509-R511 PolarHBondContact O-N 3.49Å; R511-S514 PolarHBondContact O-OG 2.96Å; R511-T515 PolarHBondContact O-OG1 3.29Å; R511-T515 VanDerWaalsContact O-OG1 3.11Å
512S64.7Low57Low38 Ų3889.9 Ų89.927%0.26647%0.472SS..Hα-helixtrans-69.1-38-175.7-56.40000112.8I485 E508 L509 T515I485-S512 VanDerWaalsContact CD1-CB 3.43Å; E508-S512 WeakPolarHBondContact O-CB 3.49Å; E508-S512 PolarHBondContact O-N 3.25Å; E508-S512 PolarHBondContact O-OG 3.37Å; L509-S512 PolarHBondContact O-N 3.02Å; S512-T515 PolarHBondContact O-OG1 3.28Å
513W62.6Low54.6Low42 Ų4295.9 Ų95.916%0.15951%0.509CS..Hα-helixtrans-86.5-19.1-179.3-66.8-18.8000114.7L509 T515 V516 P562 Y597 A599L509-W513 HydrophobicContact CD2-CD2 4.36Å; L509-W513 HydrophobicContact CD2-CE3 4.2Å; L509-W513 HydrophobicContact CD2-CH2 3.44Å; L509-W513 VanDerWaalsContact CD2-CH2 3.44Å; L509-W513 HydrophobicContact CD2-CZ2 3.62Å; L509-W513 HydrophobicContact CD2-CZ3 3.73Å; L509-W513 WeakPolarHBondContact O-CB 3.42Å; L509-W513 PolarHBondContact O-N 3.07Å; W513-T515 PolarHBondContact O-N 3.42Å; W513-V516 PolarHBondContact O-N 2.61Å; W513-P562 HydrophobicContact CH2-CG 4.49Å; W513-P562 HydrophobicContact CZ2-CB 3.93Å; W513-P562 HydrophobicContact CZ2-CG 3.57Å; W513-Y597 HydrophobicContact CE3-CD1 4.13Å; W513-Y597 HydrophobicContact CE3-CD2 4.16Å; W513-Y597 AromaticContact CE3-CG 3.82Å; W513-Y597 HydrophobicContact CE3-CG 3.82Å; W513-Y597 HydrophobicContact CH2-CG 4.34Å; W513-Y597 HydrophobicContact CZ3-CD1 4.15Å; W513-Y597 AromaticContact CZ3-CD2 3.52Å; W513-Y597 HydrophobicContact CZ3-CD2 3.52Å; W513-Y597 HydrophobicContact CZ3-CE2 4.43Å; W513-Y597 AromaticContact CZ3-CG 3.38Å; W513-Y597 HydrophobicContact CZ3-CG 3.38Å; W513-A599 HydrophobicContact CH2-CB 3.31Å; W513-A599 HydrophobicContact CZ2-CB 3.42Å; W513-A599 VanDerWaalsContact CZ2-CB 3.42Å
514S50.2Low52.2Low78 Ų7899.9 Ų99.955%0.54552%0.523SS..Hα-helixtrans-63.2-29.6168.766.70000112.6N510 R511N510-S514 WeakPolarHBondContact O-CB 3.44Å; N510-S514 PolarHBondContact O-N 3.3Å; N510-S514 PolarHBondContact O-OG 3.5Å; N510-S514 VanDerWaalsContact O-OG 3.13Å; R511-S514 PolarHBondContact O-OG 2.96Å
515T44.6Very low49.7Very low101 Ų101106.5 Ų106.562%0.6256%0.557SS**Hα-helixtrans-70.3-32176.2-30000113.6R511 S512 W513 R517R511-T515 PolarHBondContact O-OG1 3.29Å; R511-T515 VanDerWaalsContact O-OG1 3.11Å; S512-T515 PolarHBondContact O-OG1 3.28Å; W513-T515 PolarHBondContact O-N 3.42Å; T515-R517 VanDerWaalsContact C-N 3.31Å
516V44.7Very low47.1Very low113 Ų113111.5 Ų111.569%0.68559%0.593SS**Hα-helixtrans-76.2-21.9-179.6179.90000111.8W513W513-V516 PolarHBondContact O-N 2.61Å
517R37Very low44.8Very low199 Ų199112.6 Ų112.675%0.75162%0.616SS**THydrogen-bonded Turntrans-91.6-9.3-177.2-126.7-179.9-166.4173.54.2114.3T515 D519 C520T515-R517 VanDerWaalsContact C-N 3.31Å; R517-D519 PolarHBondContact O-N 3.22Å; R517-C520 PolarHBondContact O-N 3.45Å
518A33.2Very low42.3Very low81 Ų81111.5 Ų111.567%0.66962%0.622SS**THydrogen-bonded Turntrans-68.5-19.4-176.300000113.6
519D31.5Very low40Very low152 Ų152115.9 Ų115.981%0.81365%0.652SS**THydrogen-bonded Turntrans-90.93.1178-67.5-27.3000114.2R517R517-D519 PolarHBondContact O-N 3.22Å
520C25.4Very low37.7Very low105 Ų105122.6 Ų122.671%0.70969%0.687SS**SBendtrans-113.9105.3172.7-73.40000111.2R517R517-C520 PolarHBondContact O-N 3.45Å
521F23.9Very low35.4Very low204 Ų204125.9 Ų125.990%0.89570%0.699SS**  trans-16.3138175.4-100.3-98.8000120.8
522V27.6Very low33.5Very low122 Ų122123.6 Ų123.674%0.73971%0.706SS**  trans-33.1129.1155177.40000115.6
523V25.9Very low31.5Very low141 Ų141131.6 Ų131.686%0.85574%0.736SS**  trans-150.2126.8136.8177.40000110
524Q27Very low29.9Very low163 Ų163135.5 Ų135.576%0.76277%0.767SS**  trans-60.1149.1168.8-101167.3-64.800112.6
525I26.8Very low28.8Very low165 Ų165142.2 Ų142.285%0.84679%0.786SS**  -171.1134117.4-88.2149.4000109.8
526S24.7Very low27.9Very low108 Ų108141.2 Ų141.276%0.75580%0.796SS**  trans-74.9147174.6-49.20000112.8
527G26Very low27Very low73 Ų73145 Ų14575%0.75381%0.806SS**  trans107.7110.5152.200000116.2
528V25.3Very low26.3Very low137 Ų137144 Ų14483%0.8381%0.807SS**  trans162105.9133.4165.50000108.2
529T27.8Very low26Very low130 Ų130145.8 Ų145.880%0.79881%0.81SS**  trans-59.5143.9154.625.40000110.3
530L23.3Very low25.7Very low151 Ų151145.8 Ų145.879%0.79181%0.81SS**  trans-176123137.6-97156.2000114.4
531Q22.1Very low25.6Very low170 Ų170145.5 Ų145.579%0.79482%0.815SS**  trans10.7155141.8-68.8-168.82.800123.5
532P29.7Very low26Very low122 Ų122140.2 Ų140.279%0.79281%0.809SS**  trans-77.3150.6-178.235.1-35.1000111.9
533K23.4Very low26.2Very low206 Ų206140.2 Ų140.290%0.89681%0.811SS**  trans-121143.8171.9-90.9-171.8176.61790113.8
534P27.1Very low26.3Very low125 Ų125137.9 Ų137.981%0.81281%0.806SS**  trans-94.5175.1-177.938.7-33.4000114
535K28.2Very low26.3Very low219 Ų219135.2 Ų135.295%0.95281%0.806SS**  trans-55144.9-169.9-66.8175.7173178.20117.6
536G26.1Very low26.3Very low79 Ų79135.3 Ų135.381%0.81481%0.808SS**  trans138.6127.4138.200000118.5
537E24.5Very low26.5Very low194 Ų194133.9 Ų133.991%0.90781%0.81SS**  trans101.2159.7147.7-130.9162-153.800122
538K23.9Very low26.5Very low178 Ų178139.5 Ų139.577%0.77482%0.817SS**  trans-106.4144.7-132.4-69.4169.1171.5171.10115.9
539V26.9Very low26.6Very low118 Ų118138.4 Ų138.472%0.71581%0.813SS**  46.1112.1128.5-174.50000120.4
540N23.9Very low26.5Very low152 Ų152141.8 Ų141.881%0.81382%0.817SS**  160.6139.6109.5-99.2-25.6000116.7
541A24.6Very low26.6Very low99 Ų99139.9 Ų139.982%0.81882%0.816SS**  trans69.7133.3141.600000123.8
542A30.5Very low26.8Very low93 Ų93140.6 Ų140.677%0.76982%0.819SS**  trans-70.8-169.8178.100000113.5
543P33Very low26.6Very low122 Ų122142 Ų14279%0.79282%0.82SS**  cis-153.8172.824.442.6-18.8000121.3
544A28.4Very low26.8Very low91 Ų91138.1 Ų138.175%0.75281%0.814SS**  trans78.5134.1138.200000126.7
545S26.4Very low26.8Very low108 Ų108136.2 Ų136.276%0.75581%0.808SS**  trans85.9144146.580.90000118.6
546N25.8Very low26.7Very low166 Ų166133.8 Ų133.889%0.88880%0.8SS**  cis-166.5148.7-3.7-115.6-5.4000108.1
547G29.7Very low26.8Very low78 Ų78136.1 Ų136.180%0.80480%0.799SS**  trans150.992162.700000115.3
548Q25.9Very low27.2Very low191 Ų191135 Ų13589%0.89379%0.793SS**  trans-83.9151.6155.5-86.9-170.9-30.900109.2
549P27.5Very low27.9Very low115 Ų115131.5 Ų131.575%0.74779%0.791SS**  -149.1146.892.735.2-15.8000117.3
550K24.8Very low28.8Very low201 Ų201135.2 Ų135.287%0.87479%0.792SS**  trans64.6129.9136.1-65.5-179.3177.7-1780121.7
551S27Very low30.1Very low111 Ų111132.9 Ų132.978%0.77678%0.78SS**  trans-69134.3176.150.50000114.1
552E26.2Very low32.2Very low184 Ų184129.4 Ų129.486%0.8675%0.748SS**  trans-159.3139.3145.5-105.9161.8-158.400107.6
553D25.7Very low34.3Very low152 Ų152128.7 Ų128.781%0.81373%0.728SS**  trans67.180.7173.6-56.8-21.4000119.1A555D553-A555 VanDerWaalsContact C-N 3.29Å; D553-A555 PolarHBondContact O-N 3.06Å
554V26.1Very low36.5Very low125 Ų125123 Ų12376%0.75869%0.691SS**  trans-72.285.7156.8-178.50000108.6E556V554-E556 VanDerWaalsContact C-N 3.29Å; V554-E556 HydrophobicContact CG1-CB 4.04Å; V554-E556 HydrophobicContact CG1-CG 3.64Å; V554-E556 PolarHBondContact O-N 3.19Å
555A27.2Very low39.3Very low84 Ų84120.6 Ų120.669%0.69467%0.665SS**  trans-84.779.2152.300000107.9D553 T557D553-A555 VanDerWaalsContact C-N 3.29Å; D553-A555 PolarHBondContact O-N 3.06Å; A555-T557 PolarHBondContact O-N 2.83Å
556E27.4Very low42.1Very low168 Ų168115.7 Ų115.779%0.78563%0.63SS**  trans-64.189.1164.6-97.7173.5178.400108.3V554 E558V554-E556 VanDerWaalsContact C-N 3.29Å; V554-E556 HydrophobicContact CG1-CB 4.04Å; V554-E556 HydrophobicContact CG1-CG 3.64Å; V554-E556 PolarHBondContact O-N 3.19Å; E556-E558 PolarHBondContact O-N 2.87Å
557T28.4Very low45Very low128 Ų128108.9 Ų108.979%0.78559%0.594SS**  trans-82.693.1163.3-32.80000105.5A555 S559A555-T557 PolarHBondContact O-N 2.83Å; T557-S559 PolarHBondContact O-N 3.2Å
558E31.5Very low47.6Very low171 Ų171105.2 Ų105.280%0.79956%0.556SS**  trans-53.599.7172.2-78.2-172151.800109.4E556 R560E556-E558 PolarHBondContact O-N 2.87Å; E558-R560 PolarHBondContact O-N 2.87Å
559S38.2Very low50.3Low104 Ų10499.2 Ų99.273%0.72754%0.535SS*.  trans-67.299.3170.259.20000108.3T557 L561T557-S559 PolarHBondContact O-N 3.2Å; S559-L561 PolarHBondContact O-N 2.83Å
560R47.1Very low52.6Low196 Ų196100.1 Ų100.174%0.7453%0.527SS*.  trans-58.7108.3173.8-74.3-178174.9174.6-0.5109.6E558E558-R560 PolarHBondContact O-N 2.87Å
561L50.5Low55.1Low104 Ų10490.6 Ų90.655%0.54549%0.486SS..PPolyproline II helixtrans-60.6123.7174.9-72.6158.6000109.4S559 G598S559-L561 PolarHBondContact O-N 2.83Å; L561-G598 WeakPolarHBondContact CB-O 3.4Å; L561-G598 WeakPolarHBondContact CD2-O 3.34Å
562P68.4Low57.1Low25 Ų2589 Ų8916%0.16248%0.475CS..PPolyproline II helixtrans-74.4145-172.423.4-27.5000112.9G483 W513 A599 T600G483-P562 CarbonylContact O-C 3.59Å; G483-P562 VanDerWaalsContact O-CA 3.23Å; G483-P562 WeakPolarHBondContact O-CA 3.29Å; W513-P562 HydrophobicContact CH2-CG 4.49Å; W513-P562 HydrophobicContact CZ2-CB 3.93Å; W513-P562 HydrophobicContact CZ2-CG 3.57Å; P562-A599 HydrophobicContact CB-CB 4.5Å; P562-A599 HydrophobicContact CG-CB 3.96Å; P562-A599 CarbonylContact O-C 3.39Å; P562-A599 WeakPolarHBondContact O-CA 3.46Å; P562-A599 WeakPolarHBondContact O-CB 3.44Å; P562-T600 PolarHBondContact O-N 2.86Å; P562-T600 VanDerWaalsContact O-N 3.08Å
563F74.2Confident59.2Low79 Ų7982 Ų8235%0.34645%0.449SS..EExtended strand (participates in β ladder)trans-103.9133.4176.1-66.2-84.9000110.8G483 I484 I485 T600 Y602G483-F563 PolarHBondContact O-N 3.39Å; I484-F563 CarbonylContact C-O 3.55Å; I484-F563 WeakPolarHBondContact CA-O 3.12Å; I484-F563 HydrophobicContact CG1-CB 4.17Å; I484-F563 HydrophobicContact CG1-CD2 4.38Å; I484-F563 HydrophobicContact CG2-CB 4.28Å; I485-F563 PolarHBondContact N-O 3.13Å; F563-T600 WeakPolarHBondContact CA-O 3.25Å; F563-T600 HydrophobicContact CE1-CG2 4.45Å; F563-Y602 HydrophobicContact CD1-CD2 4.25Å; F563-Y602 AromaticContact CD1-CE2 3.72Å; F563-Y602 HydrophobicContact CD1-CE2 3.72Å; F563-Y602 HydrophobicContact CE1-CE2 4.03Å
564L81.1Confident61.3Low1 Ų175.5 Ų75.51%0.00542%0.415CS..EExtended strand (participates in β ladder)trans-108.9118173.5176.666.5000109.2I485 V487 L509 I590 T600 C601 Y602I485-L564 HydrophobicContact CB-CD1 4.22Å; I485-L564 HydrophobicContact CG2-CD1 4.02Å; I485-L564 CarbonylContact O-C 3.56Å; I485-L564 WeakPolarHBondContact O-CA 3.44Å; V487-L564 HydrophobicContact CG2-CD1 3.66Å; L509-L564 HydrophobicContact CD1-CD2 4.06Å; L509-L564 HydrophobicContact CD2-CD1 4.31Å; L509-L564 HydrophobicContact CD2-CD2 4.25Å; L564-I590 HydrophobicContact CD2-CG2 4.43Å; L564-T600 PolarHBondContact N-O 2.93Å; L564-C601 HydrophobicContact CB-CB 4.5Å; L564-C601 CarbonylContact O-C 3.59Å; L564-C601 VanDerWaalsContact O-CA 3.26Å; L564-C601 WeakPolarHBondContact O-CA 3.4Å; L564-Y602 PolarHBondContact O-N 3.35Å
565I85.3Confident63.3Low41 Ų4172 Ų7221%0.2139%0.392CS..EExtended strand (participates in β ladder)trans-107.5116.2176-55.2-178.3000108.8I484 I485 I486 V487 Y602 A604I484-I565 HydrophobicContact CG2-CD1 3.78Å; I484-I565 HydrophobicContact CG2-CG1 4.06Å; I485-I565 PolarHBondContact O-N 2.96Å; I486-I565 WeakPolarHBondContact CA-O 3.39Å; I486-I565 HydrophobicContact CB-CB 4.44Å; I486-I565 HydrophobicContact CD1-CD1 4.38Å; I486-I565 HydrophobicContact CG1-CB 4.13Å; I486-I565 HydrophobicContact CG1-CD1 4.21Å; I486-I565 HydrophobicContact CG1-CG1 4.47Å; I486-I565 HydrophobicContact CG2-CB 4.2Å; I486-I565 HydrophobicContact CG2-CG2 4.24Å; V487-I565 PolarHBondContact N-O 3.27Å; I565-Y602 CarbonylContact C-O 3.52Å; I565-Y602 WeakPolarHBondContact CA-O 3.41Å; I565-A604 HydrophobicContact CG2-CB 3.78Å
566L86.5Confident65Low5 Ų572.4 Ų72.43%0.02639%0.386CS..EExtended strand (participates in β ladder)trans-93105.4171.8-68.5173000109.1V487 F501 V505 F568 Y602 I603 A604V487-L566 HydrophobicContact CB-CD2 4.37Å; V487-L566 HydrophobicContact CG2-CD2 4.46Å; V487-L566 WeakPolarHBondContact O-CA 3.49Å; F501-L566 HydrophobicContact CZ-CD1 4.42Å; F501-L566 HydrophobicContact CZ-CD2 4.32Å; V505-L566 HydrophobicContact CG2-CD2 4.48Å; L566-F568 HydrophobicContact CB-CD1 4.25Å; L566-F568 HydrophobicContact CB-CE1 3.97Å; L566-F568 PolarHBondContact O-N 3.48Å; L566-Y602 PolarHBondContact N-O 3.39Å; L566-I603 WeakPolarHBondContact O-CA 3.44Å; L566-A604 PolarHBondContact O-N 3.44Å
567D87Confident66.9Low23 Ų2366.6 Ų66.612%0.12336%0.364CS..EExtended strand (participates in β ladder)trans-77.9110.5173169.833000110.5L460 V487 T488 W489 S569L460-D567 HydrophobicContact CD1-CB 4.41Å; V487-D567 PolarHBondContact O-N 3.4Å; T488-D567 WeakPolarHBondContact CB-OD2 3.24Å; T488-D567 PolarHBondContact OG1-OD2 3.35Å; W489-D567 PolarHBondContact N-O 3.46Å; D567-S569 VanDerWaalsContact CG-OG 3.28Å; D567-S569 WeakPolarHBondContact OD1-CB 3.47Å; D567-S569 PolarHBondContact OD1-N 2.6Å; D567-S569 PolarHBondContact OD1-OG 2.88Å; D567-S569 PolarHBondContact OD2-OG 2.85Å
568F83.8Confident68.8Low1 Ų160.5 Ų60.50%0.00433%0.326CS..  trans-101.615.8178.7-8317.7000113.3L493 F501 L566 K570 V571 I582 I603 A604 C605 C606L493-F568 HydrophobicContact CD1-CZ 4.14Å; F501-F568 HydrophobicContact CE2-CE1 4.48Å; F501-F568 HydrophobicContact CZ-CE1 4.21Å; F501-F568 HydrophobicContact CZ-CZ 4.27Å; L566-F568 HydrophobicContact CB-CD1 4.25Å; L566-F568 HydrophobicContact CB-CE1 3.97Å; L566-F568 PolarHBondContact O-N 3.48Å; F568-K570 PolarHBondContact O-N 3.32Å; F568-V571 HydrophobicContact CB-CB 4.1Å; F568-V571 HydrophobicContact CB-CG2 4.01Å; F568-V571 HydrophobicContact CD1-CG2 3.83Å; F568-V571 HydrophobicContact CD2-CB 4.38Å; F568-V571 HydrophobicContact CD2-CG2 4.31Å; F568-V571 HydrophobicContact CE1-CG2 4.37Å; F568-V571 HydrophobicContact CG-CB 4.15Å; F568-V571 HydrophobicContact CG-CG2 3.78Å; F568-V571 PolarHBondContact O-N 3.32Å; F568-I582 HydrophobicContact CE2-CD1 3.59Å; F568-I582 HydrophobicContact CE2-CG1 4.16Å; F568-I582 HydrophobicContact CE2-CG2 4.5Å; F568-I582 HydrophobicContact CZ-CD1 3.81Å; F568-I582 HydrophobicContact CZ-CG1 3.94Å; F568-I603 HydrophobicContact CB-CG2 4.19Å; F568-I603 HydrophobicContact CD2-CG2 3.69Å; F568-I603 HydrophobicContact CE2-CG2 4.15Å; F568-I603 HydrophobicContact CG-CG2 3.89Å; F568-A604 PolarHBondContact N-O 3.38Å; F568-C605 CarbonylContact C-O 3.56Å; F568-C606 HydrophobicContact CB-CB 4.45Å
569S81.4Confident70.4Confident66 Ų6652.7 Ų52.746%0.46229%0.29SS..THydrogen-bonded Turntrans-51.5-32.3176.261.80000113.7D567 C605D567-S569 VanDerWaalsContact CG-OG 3.28Å; D567-S569 WeakPolarHBondContact OD1-CB 3.47Å; D567-S569 PolarHBondContact OD1-N 2.6Å; D567-S569 PolarHBondContact OD1-OG 2.88Å; D567-S569 PolarHBondContact OD2-OG 2.85Å; S569-C605 WeakPolarHBondContact CA-O 3.43Å; S569-C605 PolarHBondContact N-O 3.29Å
570K77.5Confident71.7Confident133 Ų13353.4 Ų53.458%0.57828%0.281SS*.THydrogen-bonded Turntrans-98.9-0.9-178.6-57.9-118179.9-176.10113.7F568 S572F568-K570 PolarHBondContact O-N 3.32Å; K570-S572 PolarHBondContact O-N 3.24Å
571V76.9Confident72.6Confident1 Ų144.6 Ų44.61%0.00625%0.25CC..  trans-88.499178.6-175.40000108.6W489 L493 F568 V574 V610W489-V571 HydrophobicContact CB-CG2 4.33Å; L493-V571 HydrophobicContact CB-CG1 4.47Å; F568-V571 HydrophobicContact CB-CB 4.1Å; F568-V571 HydrophobicContact CB-CG2 4.01Å; F568-V571 HydrophobicContact CD1-CG2 3.83Å; F568-V571 HydrophobicContact CD2-CB 4.38Å; F568-V571 HydrophobicContact CD2-CG2 4.31Å; F568-V571 HydrophobicContact CE1-CG2 4.37Å; F568-V571 HydrophobicContact CG-CB 4.15Å; F568-V571 HydrophobicContact CG-CG2 3.78Å; F568-V571 PolarHBondContact O-N 3.32Å; V571-V574 HydrophobicContact CG1-CG2 3.66Å; V571-V610 HydrophobicContact CG1-CG2 4.37Å; V571-V610 WeakPolarHBondContact O-CG2 3.23Å
572S69.7Low73.2Confident77 Ų7740.2 Ų40.254%0.53823%0.227SC..  trans-79.7-26.9-176.753.30000114.2K570 S609K570-S572 PolarHBondContact O-N 3.24Å; S572-S609 PolarHBondContact O-OG 2.87Å
573A69Low72.5Confident39 Ų3939.6 Ų39.632%0.32223%0.225SC..  trans-154.5149-178.900000111.6P492 L493P492-A573 WeakPolarHBondContact CA-O 3.46Å; P492-A573 HydrophobicContact CB-CB 4.41Å; P492-A573 WeakPolarHBondContact CB-O 3.34Å; L493-A573 PolarHBondContact N-O 2.99Å
574V70.9Confident71.1Confident15 Ų1538.6 Ų38.69%0.09122%0.221CC..BIsolated β-bridgetrans-130.6128.7175.7175.70000109.7L493 V571 M579 I582 V610L493-V574 HydrophobicContact CB-CG1 4.47Å; L493-V574 HydrophobicContact CB-CG2 3.94Å; L493-V574 CarbonylContact O-C 3.55Å; L493-V574 VanDerWaalsContact O-CA 3.25Å; L493-V574 WeakPolarHBondContact O-CA 3.35Å; V571-V574 HydrophobicContact CG1-CG2 3.66Å; V574-M579 HydrophobicContact CG1-CB 4.21Å; V574-M579 HydrophobicContact CG1-CG 3.56Å; V574-I582 HydrophobicContact CG1-CD1 3.96Å; V574-I582 HydrophobicContact CG2-CD1 4.17Å; V574-V610 HydrophobicContact CB-CG1 4.13Å; V574-V610 HydrophobicContact CG2-CG1 3.52Å; V574-V610 HydrophobicContact CG2-CG2 4.19Å
575D67.8Low69Low51 Ų5146 Ų4627%0.27326%0.256SS..  trans-92.8179.7172.285.3-3.4000112.1L493 F494 Y495 S577 G578 M579L493-D575 PolarHBondContact O-N 3.38Å; F494-D575 VanDerWaalsContact CA-OD1 3.29Å; F494-D575 WeakPolarHBondContact CA-OD1 3.34Å; F494-D575 WeakPolarHBondContact CA-OD2 3.18Å; F494-D575 HydrophobicContact CB-CB 4.32Å; F494-D575 WeakPolarHBondContact CB-OD2 3.23Å; Y495-D575 PolarHBondContact N-OD1 2.84Å; Y495-D575 PolarHBondContact N-OD2 3.01Å; D575-S577 VanDerWaalsContact C-N 3.27Å; D575-S577 PolarHBondContact O-N 2.98Å; D575-S577 WeakPolarHBondContact OD1-CA 3.32Å; D575-S577 WeakPolarHBondContact OD1-CB 3.47Å; D575-S577 PolarHBondContact OD1-N 3.1Å; D575-G578 PolarHBondContact O-N 2.79Å; D575-G578 PolarHBondContact OD1-N 2.74Å; D575-M579 VanDerWaalsContact O-CB 3.29Å; D575-M579 WeakPolarHBondContact O-CB 3.25Å; D575-M579 WeakPolarHBondContact O-CG 3.46Å; D575-M579 PolarHBondContact O-N 3.35Å
576T62.7Low66.3Low93 Ų9349.2 Ų49.257%0.57128%0.282SS*.Hα-helixtrans-60.3-32179.122.40000114.1M579 H580T576-M579 WeakPolarHBondContact O-CB 3.49Å; T576-H580 WeakPolarHBondContact O-CB 3.31Å; T576-H580 PolarHBondContact O-N 3.29Å
577S66.8Low63.9Low46 Ų4652.8 Ų52.832%0.32230%0.304SS..Hα-helixtrans-76.5-43178.8-52.10000111Y495 D575 M579 H580 S581Y495-S577 WeakPolarHBondContact CB-OG 3.2Å; D575-S577 VanDerWaalsContact C-N 3.27Å; D575-S577 PolarHBondContact O-N 2.98Å; D575-S577 WeakPolarHBondContact OD1-CA 3.32Å; D575-S577 WeakPolarHBondContact OD1-CB 3.47Å; D575-S577 PolarHBondContact OD1-N 3.1Å; S577-M579 VanDerWaalsContact C-N 3.31Å; S577-M579 PolarHBondContact O-N 2.75Å; S577-H580 WeakPolarHBondContact O-CB 3.3Å; S577-H580 PolarHBondContact O-N 2.86Å; S577-H580 VanDerWaalsContact O-N 3.11Å; S577-S581 PolarHBondContact O-N 2.92Å; S577-S581 PolarHBondContact O-OG 3.18Å
578G68.8Low62.2Low0 Ų055.4 Ų55.40%031%0.314CS..Hα-helixtrans-61.8-40.6172.600000111.8D575 H580 S581 I582D575-G578 PolarHBondContact O-N 2.79Å; D575-G578 PolarHBondContact OD1-N 2.74Å; G578-H580 VanDerWaalsContact C-N 3.34Å; G578-H580 PolarHBondContact O-N 3.43Å; G578-S581 PolarHBondContact O-N 3.33Å; G578-I582 WeakPolarHBondContact O-CD1 3.49Å; G578-I582 VanDerWaalsContact O-CG1 3.23Å; G578-I582 WeakPolarHBondContact O-CG1 3.37Å; G578-I582 PolarHBondContact O-N 3.45Å
579M65.4Low60.7Low7 Ų759.2 Ų59.23%0.03433%0.332CS..Hα-helixtrans-57.9-44.1169-88.9-129.956.500112.5V574 D575 T576 S577 S581 I582 G583 L614 M616V574-M579 HydrophobicContact CG1-CB 4.21Å; V574-M579 HydrophobicContact CG1-CG 3.56Å; D575-M579 VanDerWaalsContact O-CB 3.29Å; D575-M579 WeakPolarHBondContact O-CB 3.25Å; D575-M579 WeakPolarHBondContact O-CG 3.46Å; D575-M579 PolarHBondContact O-N 3.35Å; T576-M579 WeakPolarHBondContact O-CB 3.49Å; S577-M579 VanDerWaalsContact C-N 3.31Å; S577-M579 PolarHBondContact O-N 2.75Å; M579-S581 PolarHBondContact O-N 3.14Å; M579-I582 PolarHBondContact O-N 3Å; M579-I582 VanDerWaalsContact O-N 3.15Å; M579-G583 CarbonylContact O-C 3.3Å; M579-G583 PolarHBondContact O-N 3.37Å; M579-L614 HydrophobicContact CE-CD2 3.85Å; M579-L614 VanDerWaalsContact CE-O 3.28Å; M579-L614 WeakPolarHBondContact CE-O 3.47Å; M579-L614 VanDerWaalsContact SD-CA 3.58Å; M579-L614 HydrophobicContact SD-CD2 4.46Å; M579-M616 HydrophobicContact SD-CB 4Å
580H64.8Low59.5Low118 Ų11856.2 Ų56.255%0.54631%0.311SS..Hα-helixtrans-63.7-32.6178.4-138.5-64.9000112.4T576 S577 G578T576-H580 WeakPolarHBondContact O-CB 3.31Å; T576-H580 PolarHBondContact O-N 3.29Å; S577-H580 WeakPolarHBondContact O-CB 3.3Å; S577-H580 PolarHBondContact O-N 2.86Å; S577-H580 VanDerWaalsContact O-N 3.11Å; G578-H580 VanDerWaalsContact C-N 3.34Å; G578-H580 PolarHBondContact O-N 3.43Å
581S65.9Low58.6Low12 Ų1252.4 Ų52.48%0.08430%0.298CS..Hα-helixtrans-74.8-28174.4-61.50000113.5A498 S577 G578 M579 I590A498-S581 WeakPolarHBondContact CB-OG 3.13Å; A498-S581 PolarHBondContact O-OG 2.84Å; S577-S581 PolarHBondContact O-N 2.92Å; S577-S581 PolarHBondContact O-OG 3.18Å; G578-S581 PolarHBondContact O-N 3.33Å; M579-S581 PolarHBondContact O-N 3.14Å; S581-I590 WeakPolarHBondContact O-CD1 3.38Å
582I63.4Low57.3Low11 Ų1156.5 Ų56.56%0.05632%0.318CS..Hα-helixtrans-85.4-44176.9-61.5157.2000111.2L493 F501 F568 V574 G578 M579 I603L493-I582 HydrophobicContact CD1-CD1 4.16Å; L493-I582 HydrophobicContact CD2-CD1 4.45Å; F501-I582 HydrophobicContact CE1-CG1 4.27Å; F568-I582 HydrophobicContact CE2-CD1 3.59Å; F568-I582 HydrophobicContact CE2-CG1 4.16Å; F568-I582 HydrophobicContact CE2-CG2 4.5Å; F568-I582 HydrophobicContact CZ-CD1 3.81Å; F568-I582 HydrophobicContact CZ-CG1 3.94Å; V574-I582 HydrophobicContact CG1-CD1 3.96Å; V574-I582 HydrophobicContact CG2-CD1 4.17Å; G578-I582 WeakPolarHBondContact O-CD1 3.49Å; G578-I582 VanDerWaalsContact O-CG1 3.23Å; G578-I582 WeakPolarHBondContact O-CG1 3.37Å; G578-I582 PolarHBondContact O-N 3.45Å; M579-I582 PolarHBondContact O-N 3Å; M579-I582 VanDerWaalsContact O-N 3.15Å; I582-I603 HydrophobicContact CG2-CD1 3.81Å
583G53.1Low56.7Low12 Ų1255.4 Ų55.412%0.12431%0.305CS..  trans153.7133.2170.500000115.6M579M579-G583 CarbonylContact O-C 3.3Å; M579-G583 PolarHBondContact O-N 3.37Å
584Q46.3Very low56.2Low58 Ų5853.6 Ų53.627%0.27129%0.29SS..  trans-157.2148.1148.3-138.6179.2-1.500112.2S586Q584-S586 PolarHBondContact O-N 3.5Å
585Q35.1Very low55.5Low157 Ų15754.9 Ų54.973%0.73431%0.307SS*.THydrogen-bonded Turntrans-35.393.8-173.7-74.8174.8-32.600116.1
586S30.6Very low54.9Low108 Ų10858.4 Ų58.476%0.75533%0.326SS*.THydrogen-bonded Turntrans173.6-15.2140.732.40000111.2Q584Q584-S586 PolarHBondContact O-N 3.5Å
587V35.8Very low54.6Low80 Ų8059.9 Ų59.949%0.48532%0.322SS..  trans-155.397.4166-175.90000106.6Q589V587-Q589 HydrophobicContact CG1-CG 4.07Å; V587-Q589 PolarHBondContact O-N 3.13Å
588F49.7Very low54.2Low79 Ų7959 Ų5935%0.34632%0.32SS..  trans-75.5119.1165.3-81.7-89.5000105.2V591 E592F588-V591 HydrophobicContact CD1-CB 3.88Å; F588-V591 HydrophobicContact CD1-CG1 4.34Å; F588-V591 HydrophobicContact CD1-CG2 4.43Å; F588-E592 WeakPolarHBondContact CA-OE2 3.28Å; F588-E592 HydrophobicContact CB-CB 3.51Å; F588-E592 HydrophobicContact CB-CG 4.08Å; F588-E592 WeakPolarHBondContact CB-OE2 3.41Å; F588-E592 PolarHBondContact N-OE2 3.49Å; F588-E592 WeakPolarHBondContact O-CB 3.32Å
589Q53.4Low53.9Low81 Ų8159.2 Ų59.238%0.37932%0.321SS..SBendtrans-89-64.5176-102.9169.5-13.200110E502 V587 L593E502-Q589 PolarHBondContact OE1-OE1 2.75Å; E502-Q589 VanDerWaalsContact OE1-OE1 3.08Å; V587-Q589 HydrophobicContact CG1-CG 4.07Å; V587-Q589 PolarHBondContact O-N 3.13Å; Q589-L593 HydrophobicContact CB-CD1 4.28Å; Q589-L593 HydrophobicContact CG-CD1 4.21Å; Q589-L593 WeakPolarHBondContact O-CA 3.13Å; Q589-L593 WeakPolarHBondContact O-CB 3.47Å; Q589-L593 WeakPolarHBondContact O-CD1 2.96Å; Q589-L593 WeakPolarHBondContact O-CG 3.43Å; Q589-L593 PolarHBondContact O-N 3.29Å
590I56.9Low53.9Low3 Ų361.9 Ų61.92%0.01534%0.338CS..Hα-helixtrans-71.8-44.7-173.9-57.5173.6000112.4F501 E502 V505 L564 S581 A594F501-I590 HydrophobicContact CD1-CD1 4.14Å; F501-I590 HydrophobicContact CE1-CD1 3.73Å; E502-I590 HydrophobicContact CB-CD1 4.23Å; E502-I590 HydrophobicContact CG-CD1 4.18Å; E502-I590 HydrophobicContact CG-CG1 4.15Å; V505-I590 HydrophobicContact CB-CD1 4.39Å; V505-I590 HydrophobicContact CG1-CD1 4.46Å; V505-I590 HydrophobicContact CG1-CG2 3.86Å; L564-I590 HydrophobicContact CD2-CG2 4.43Å; S581-I590 WeakPolarHBondContact O-CD1 3.38Å; I590-A594 WeakPolarHBondContact O-CB 2.78Å; I590-A594 PolarHBondContact O-N 3.45Å
591V56.8Low54.4Low52 Ų5257.6 Ų57.632%0.31532%0.322SS..Hα-helixtrans-71.9-36.7-179.1179.20000112F588 G595 C601F588-V591 HydrophobicContact CD1-CB 3.88Å; F588-V591 HydrophobicContact CD1-CG1 4.34Å; F588-V591 HydrophobicContact CD1-CG2 4.43Å; V591-G595 PolarHBondContact O-N 2.59Å; V591-C601 HydrophobicContact CG1-CB 4.42Å; V591-C601 HydrophobicContact CG2-CB 4.37Å
592E50.9Low54.9Low88 Ų8863.3 Ų63.341%0.41134%0.342SS..Hα-helixtrans-76.4-37.2174.1-136.1175.7136.800111.5F588 G595 N596F588-E592 WeakPolarHBondContact CA-OE2 3.28Å; F588-E592 HydrophobicContact CB-CB 3.51Å; F588-E592 HydrophobicContact CB-CG 4.08Å; F588-E592 WeakPolarHBondContact CB-OE2 3.41Å; F588-E592 PolarHBondContact N-OE2 3.49Å; F588-E592 WeakPolarHBondContact O-CB 3.32Å; E592-G595 CarbonylContact O-C 3.43Å; E592-G595 PolarHBondContact O-N 3.11Å; E592-N596 WeakPolarHBondContact O-CB 2.74Å; E592-N596 PolarHBondContact O-N 3.4Å; E592-N596 PolarHBondContact O-ND2 2.82Å
593L56.9Low55.7Low53 Ų5366.1 Ų66.128%0.27736%0.356SS..Hα-helixtrans-61.5-49.5172.4-89.9133000109.1L506 Q589 G595 N596 Y597L506-L593 HydrophobicContact CD2-CD1 4.17Å; L506-L593 HydrophobicContact CD2-CD2 4.37Å; Q589-L593 HydrophobicContact CB-CD1 4.28Å; Q589-L593 HydrophobicContact CG-CD1 4.21Å; Q589-L593 WeakPolarHBondContact O-CA 3.13Å; Q589-L593 WeakPolarHBondContact O-CB 3.47Å; Q589-L593 WeakPolarHBondContact O-CD1 2.96Å; Q589-L593 WeakPolarHBondContact O-CG 3.43Å; Q589-L593 PolarHBondContact O-N 3.29Å; L593-G595 VanDerWaalsContact C-N 3.33Å; L593-G595 PolarHBondContact O-N 3.17Å; L593-N596 PolarHBondContact O-N 3.2Å; L593-N596 VanDerWaalsContact O-N 3.15Å; L593-Y597 HydrophobicContact CD2-CE2 3.91Å; L593-Y597 WeakPolarHBondContact O-CD2 3.21Å; L593-Y597 PolarHBondContact O-N 3.03Å
594A58.2Low57.1Low1 Ų167.1 Ų67.11%0.00836%0.364CS..Hα-helixtrans-54.6-49.2173.500000111I590 N596 Y597 G598 A599I590-A594 WeakPolarHBondContact O-CB 2.78Å; I590-A594 PolarHBondContact O-N 3.45Å; A594-N596 VanDerWaalsContact C-N 3.35Å; A594-N596 PolarHBondContact O-N 3.18Å; A594-Y597 CarbonylContact O-C 3.59Å; A594-Y597 WeakPolarHBondContact O-CA 3.35Å; A594-Y597 WeakPolarHBondContact O-CB 2.76Å; A594-Y597 PolarHBondContact O-N 3.27Å; A594-G598 PolarHBondContact O-N 2.74Å; A594-A599 CarbonylContact C-O 3.54Å; A594-A599 VanDerWaalsContact C-O 3.3Å; A594-A599 HydrophobicContact CB-CB 4.15Å; A594-A599 WeakPolarHBondContact O-CA 2.8Å; A594-A599 VanDerWaalsContact O-CB 3.3Å; A594-A599 WeakPolarHBondContact O-CB 3.27Å; A594-A599 PolarHBondContact O-N 3.4Å
595G55.7Low58.7Low42 Ų4268.8 Ų68.843%0.43338%0.381SS..Hα-helixtrans-60.6-37.2175.800000114.3V591 E592 L593 Y597 G598 A599V591-G595 PolarHBondContact O-N 2.59Å; E592-G595 CarbonylContact O-C 3.43Å; E592-G595 PolarHBondContact O-N 3.11Å; L593-G595 VanDerWaalsContact C-N 3.33Å; L593-G595 PolarHBondContact O-N 3.17Å; G595-Y597 VanDerWaalsContact C-N 3.26Å; G595-Y597 PolarHBondContact O-N 3.27Å; G595-G598 WeakPolarHBondContact O-CA 3.3Å; G595-G598 PolarHBondContact O-N 2.73Å; G595-A599 PolarHBondContact N-O 2.98Å
596N56.3Low60.5Low126 Ų12662.7 Ų62.767%0.67436%0.355SS*.Hα-helixtrans-69.2-24.1174.9-74-23.3000112.1E592 L593 A594 G598E592-N596 WeakPolarHBondContact O-CB 2.74Å; E592-N596 PolarHBondContact O-N 3.4Å; E592-N596 PolarHBondContact O-ND2 2.82Å; L593-N596 PolarHBondContact O-N 3.2Å; L593-N596 VanDerWaalsContact O-N 3.15Å; A594-N596 VanDerWaalsContact C-N 3.35Å; A594-N596 PolarHBondContact O-N 3.18Å; N596-G598 VanDerWaalsContact C-N 3.3Å
597Y56.9Low62.5Low123 Ų12359.2 Ų59.248%0.48233%0.333SS..THydrogen-bonded Turntrans-88.38.1168.7-72.8-72.8000113W513 L593 A594 G595 A599W513-Y597 HydrophobicContact CE3-CD1 4.13Å; W513-Y597 HydrophobicContact CE3-CD2 4.16Å; W513-Y597 AromaticContact CE3-CG 3.82Å; W513-Y597 HydrophobicContact CE3-CG 3.82Å; W513-Y597 HydrophobicContact CH2-CG 4.34Å; W513-Y597 HydrophobicContact CZ3-CD1 4.15Å; W513-Y597 AromaticContact CZ3-CD2 3.52Å; W513-Y597 HydrophobicContact CZ3-CD2 3.52Å; W513-Y597 HydrophobicContact CZ3-CE2 4.43Å; W513-Y597 AromaticContact CZ3-CG 3.38Å; W513-Y597 HydrophobicContact CZ3-CG 3.38Å; L593-Y597 HydrophobicContact CD2-CE2 3.91Å; L593-Y597 WeakPolarHBondContact O-CD2 3.21Å; L593-Y597 PolarHBondContact O-N 3.03Å; A594-Y597 CarbonylContact O-C 3.59Å; A594-Y597 WeakPolarHBondContact O-CA 3.35Å; A594-Y597 WeakPolarHBondContact O-CB 2.76Å; A594-Y597 PolarHBondContact O-N 3.27Å; G595-Y597 VanDerWaalsContact C-N 3.26Å; G595-Y597 PolarHBondContact O-N 3.27Å; Y597-A599 VanDerWaalsContact C-N 3.27Å; Y597-A599 PolarHBondContact O-N 2.99Å
598G57.9Low63.8Low27 Ų2759.3 Ų59.328%0.27834%0.342SS..THydrogen-bonded Turntrans75.113.1-177.300000114.1L561 A594 G595 N596L561-G598 WeakPolarHBondContact CB-O 3.4Å; L561-G598 WeakPolarHBondContact CD2-O 3.34Å; A594-G598 PolarHBondContact O-N 2.74Å; G595-G598 WeakPolarHBondContact O-CA 3.3Å; G595-G598 PolarHBondContact O-N 2.73Å; N596-G598 VanDerWaalsContact C-N 3.3Å
599A61.4Low64.3Low5 Ų558.9 Ų58.94%0.04135%0.349CS..PPolyproline II helixtrans-97.9134.6-174.800000113.3W513 P562 A594 G595 Y597W513-A599 HydrophobicContact CH2-CB 3.31Å; W513-A599 HydrophobicContact CZ2-CB 3.42Å; W513-A599 VanDerWaalsContact CZ2-CB 3.42Å; P562-A599 HydrophobicContact CB-CB 4.5Å; P562-A599 HydrophobicContact CG-CB 3.96Å; P562-A599 CarbonylContact O-C 3.39Å; P562-A599 WeakPolarHBondContact O-CA 3.46Å; P562-A599 WeakPolarHBondContact O-CB 3.44Å; A594-A599 CarbonylContact C-O 3.54Å; A594-A599 VanDerWaalsContact C-O 3.3Å; A594-A599 HydrophobicContact CB-CB 4.15Å; A594-A599 WeakPolarHBondContact O-CA 2.8Å; A594-A599 VanDerWaalsContact O-CB 3.3Å; A594-A599 WeakPolarHBondContact O-CB 3.27Å; A594-A599 PolarHBondContact O-N 3.4Å; G595-A599 PolarHBondContact N-O 2.98Å; Y597-A599 VanDerWaalsContact C-N 3.27Å; Y597-A599 PolarHBondContact O-N 2.99Å
600T65.8Low64.9Low63 Ų6355.1 Ų55.139%0.38733%0.331SS..EExtended strand (participates in β ladder)trans-92.8122.7177.8-46.80000110P562 F563 L564 Y602P562-T600 PolarHBondContact O-N 2.86Å; P562-T600 VanDerWaalsContact O-N 3.08Å; F563-T600 WeakPolarHBondContact CA-O 3.25Å; F563-T600 HydrophobicContact CE1-CG2 4.45Å; L564-T600 PolarHBondContact N-O 2.93Å; T600-Y602 HydrophobicContact CG2-CE2 3.86Å
601C74.6Confident65.3Low29 Ų2959.5 Ų59.520%0.19635%0.354CS..EExtended strand (participates in β ladder)trans-98126-177.6-167.10000111.9L564 V591L564-C601 HydrophobicContact CB-CB 4.5Å; L564-C601 CarbonylContact O-C 3.59Å; L564-C601 VanDerWaalsContact O-CA 3.26Å; L564-C601 WeakPolarHBondContact O-CA 3.4Å; V591-C601 HydrophobicContact CG1-CB 4.42Å; V591-C601 HydrophobicContact CG2-CB 4.37Å
602Y78Confident65.3Low131 Ų13159.9 Ų59.951%0.51436%0.363SS..EExtended strand (participates in β ladder)trans-113.4140.2174-71.9-83.1000110.8F563 L564 I565 L566 T600F563-Y602 HydrophobicContact CD1-CD2 4.25Å; F563-Y602 AromaticContact CD1-CE2 3.72Å; F563-Y602 HydrophobicContact CD1-CE2 3.72Å; F563-Y602 HydrophobicContact CE1-CE2 4.03Å; L564-Y602 PolarHBondContact O-N 3.35Å; I565-Y602 CarbonylContact C-O 3.52Å; I565-Y602 WeakPolarHBondContact CA-O 3.41Å; L566-Y602 PolarHBondContact N-O 3.39Å; T600-Y602 HydrophobicContact CG2-CE2 3.86Å
603I79.9Confident65.6Low70 Ų7056.4 Ų56.436%0.35935%0.348SS..EExtended strand (participates in β ladder)trans-103.1117.4170.5-57.2175.9000107.7L566 F568 I582 C606L566-I603 WeakPolarHBondContact O-CA 3.44Å; F568-I603 HydrophobicContact CB-CG2 4.19Å; F568-I603 HydrophobicContact CD2-CG2 3.69Å; F568-I603 HydrophobicContact CE2-CG2 4.15Å; F568-I603 HydrophobicContact CG-CG2 3.89Å; I582-I603 HydrophobicContact CG2-CD1 3.81Å; I603-C606 HydrophobicContact CG2-CB 4.17Å
604A81.1Confident65.7Low33 Ų3356.4 Ų56.427%0.27335%0.348SS..EExtended strand (participates in β ladder)trans-104.5151.4-17800000111.8I565 L566 F568 C606I565-A604 HydrophobicContact CG2-CB 3.78Å; L566-A604 PolarHBondContact O-N 3.44Å; F568-A604 PolarHBondContact N-O 3.38Å; A604-C606 VanDerWaalsContact C-N 3.26Å; A604-C606 PolarHBondContact O-N 3.31Å; A604-C606 VanDerWaalsContact O-N 3.14Å
605C80.7Confident65.5Low94 Ų9459.2 Ų59.264%0.63537%0.366SS*.SBendtrans53.933.6172-61.90000115.7F568 S569 A607F568-C605 CarbonylContact C-O 3.56Å; S569-C605 WeakPolarHBondContact CA-O 3.43Å; S569-C605 PolarHBondContact N-O 3.29Å; C605-A607 PolarHBondContact O-N 3.05Å
606C73.7Confident64.9Low28 Ų2859.8 Ų59.819%0.18936%0.358CS..  trans-71.4126.8-177.8-148.20000111.3F568 I603 A604 V610 I611F568-C606 HydrophobicContact CB-CB 4.45Å; I603-C606 HydrophobicContact CG2-CB 4.17Å; A604-C606 VanDerWaalsContact C-N 3.26Å; A604-C606 PolarHBondContact O-N 3.31Å; A604-C606 VanDerWaalsContact O-N 3.14Å; C606-V610 WeakPolarHBondContact SG-CG1 3.36Å; C606-I611 HydrophobicContact CB-CD1 4.13Å; C606-I611 HydrophobicContact CB-CG1 3.86Å; C606-I611 WeakPolarHBondContact O-CD1 3.47Å
607A71.6Confident64.5Low36 Ų3656.3 Ų56.330%0.29834%0.34SS..  trans-62.2144.8177.600000111.4C605 S609 V610 I611C605-A607 PolarHBondContact O-N 3.05Å; A607-S609 PolarHBondContact O-N 3.43Å; A607-S609 VanDerWaalsContact O-N 3.12Å; A607-V610 HydrophobicContact CB-CG2 4.28Å; A607-V610 WeakPolarHBondContact O-CA 3.34Å; A607-V610 WeakPolarHBondContact O-CB 3.4Å; A607-V610 PolarHBondContact O-N 3.27Å; A607-I611 PolarHBondContact O-N 3.26Å
608A63.5Low63.9Low82 Ų8258.6 Ų58.668%0.67835%0.348SS*.Hα-helixtrans-56.5-32.1-179.600000112.9V610 I611 A612A608-V610 VanDerWaalsContact C-N 3.34Å; A608-I611 PolarHBondContact O-N 3.21Å; A608-A612 VanDerWaalsContact O-CB 3.24Å; A608-A612 WeakPolarHBondContact O-CB 3.47Å; A608-A612 PolarHBondContact O-N 3.28Å
609S60.7Low63.1Low70 Ų7062 Ų6249%0.4935%0.352SS..Hα-helixtrans-61.8-38.8172.954.90000112.8S572 A607 S613S572-S609 PolarHBondContact O-OG 2.87Å; A607-S609 PolarHBondContact O-N 3.43Å; A607-S609 VanDerWaalsContact O-N 3.12Å; S609-S613 PolarHBondContact O-N 2.84Å; S609-S613 PolarHBondContact O-OG 2.87Å
610V66.1Low62.2Low1 Ų172.1 Ų72.11%0.00639%0.389CS..Hα-helixtrans-75-42.9177.6-179.20000110.7V571 V574 C606 A607 A608 A612 S613 L614V571-V610 HydrophobicContact CG1-CG2 4.37Å; V571-V610 WeakPolarHBondContact O-CG2 3.23Å; V574-V610 HydrophobicContact CB-CG1 4.13Å; V574-V610 HydrophobicContact CG2-CG1 3.52Å; V574-V610 HydrophobicContact CG2-CG2 4.19Å; C606-V610 WeakPolarHBondContact SG-CG1 3.36Å; A607-V610 HydrophobicContact CB-CG2 4.28Å; A607-V610 WeakPolarHBondContact O-CA 3.34Å; A607-V610 WeakPolarHBondContact O-CB 3.4Å; A607-V610 PolarHBondContact O-N 3.27Å; A608-V610 VanDerWaalsContact C-N 3.34Å; V610-A612 VanDerWaalsContact C-N 3.29Å; V610-A612 PolarHBondContact O-N 2.86Å; V610-S613 WeakPolarHBondContact CA-OG 3.39Å; V610-S613 CarbonylContact O-C 3.58Å; V610-S613 WeakPolarHBondContact O-CA 3.42Å; V610-S613 PolarHBondContact O-N 3.29Å; V610-S613 PolarHBondContact O-OG 3.38Å; V610-L614 WeakPolarHBondContact O-CG 3.2Å; V610-L614 PolarHBondContact O-N 3.27Å
611I65.4Low61.2Low95 Ų9576.2 Ų76.249%0.48740%0.398SS..Hα-helixtrans-60.3-41.3173.9-61172.4000111C606 A607 A608 S613 L614 P615C606-I611 HydrophobicContact CB-CD1 4.13Å; C606-I611 HydrophobicContact CB-CG1 3.86Å; C606-I611 WeakPolarHBondContact O-CD1 3.47Å; A607-I611 PolarHBondContact O-N 3.26Å; A608-I611 PolarHBondContact O-N 3.21Å; I611-S613 PolarHBondContact O-N 2.73Å; I611-L614 PolarHBondContact O-N 3.19Å; I611-P615 WeakPolarHBondContact O-CD 3.49Å
612A55.9Low59.8Low61 Ų6177.7 Ų77.750%0.50441%0.405SS..THydrogen-bonded Turntrans-67.4-18.4175.200000113.4A608 V610A608-A612 VanDerWaalsContact O-CB 3.24Å; A608-A612 WeakPolarHBondContact O-CB 3.47Å; A608-A612 PolarHBondContact O-N 3.28Å; V610-A612 VanDerWaalsContact C-N 3.29Å; V610-A612 PolarHBondContact O-N 2.86Å
613S56.4Low58.5Low15 Ų1573.3 Ų73.311%0.10540%0.396CS..THydrogen-bonded Turntrans-95.4-21.3173.431.20000113.8S609 V610 I611 P615 M616S609-S613 PolarHBondContact O-N 2.84Å; S609-S613 PolarHBondContact O-OG 2.87Å; V610-S613 WeakPolarHBondContact CA-OG 3.39Å; V610-S613 CarbonylContact O-C 3.58Å; V610-S613 WeakPolarHBondContact O-CA 3.42Å; V610-S613 PolarHBondContact O-N 3.29Å; V610-S613 PolarHBondContact O-OG 3.38Å; I611-S613 PolarHBondContact O-N 2.73Å; S613-P615 VanDerWaalsContact C-N 3.3Å; S613-M616 WeakPolarHBondContact O-CB 3.36Å; S613-M616 WeakPolarHBondContact O-CG 3.49Å; S613-M616 PolarHBondContact O-N 2.7Å
614L59.1Low57.5Low52 Ų5273.4 Ų73.427%0.27240%0.4SS..THydrogen-bonded Turntrans-57.8-23.7174.1-75167.4000116.2M579 V610 I611 M616M579-L614 HydrophobicContact CE-CD2 3.85Å; M579-L614 VanDerWaalsContact CE-O 3.28Å; M579-L614 WeakPolarHBondContact CE-O 3.47Å; M579-L614 VanDerWaalsContact SD-CA 3.58Å; M579-L614 HydrophobicContact SD-CD2 4.46Å; V610-L614 WeakPolarHBondContact O-CG 3.2Å; V610-L614 PolarHBondContact O-N 3.27Å; I611-L614 PolarHBondContact O-N 3.19Å; L614-M616 VanDerWaalsContact C-N 3.33Å; L614-M616 PolarHBondContact O-N 3.5Å
615P53.8Low56.5Low60 Ų6074.7 Ų74.739%0.3941%0.407SS..THydrogen-bonded Turntrans-89.424.2170.432.3-33.4000114.2I611 S613 D617 R618I611-P615 WeakPolarHBondContact O-CD 3.49Å; S613-P615 VanDerWaalsContact C-N 3.3Å; P615-D617 PolarHBondContact O-N 2.65Å; P615-R618 PolarHBondContact O-N 3Å
616M44.1Very low55.7Low54 Ų5472.2 Ų72.227%0.26639%0.391SS..THydrogen-bonded Turntrans-72.937.5-170.5-80.2-84.4-94.500116.8K112 M579 S613 L614K112-M616 HydrophobicContact CD-CE 4.46Å; M579-M616 HydrophobicContact SD-CB 4Å; S613-M616 WeakPolarHBondContact O-CB 3.36Å; S613-M616 WeakPolarHBondContact O-CG 3.49Å; S613-M616 PolarHBondContact O-N 2.7Å; L614-M616 VanDerWaalsContact C-N 3.33Å; L614-M616 PolarHBondContact O-N 3.5Å
617D47.6Very low55.4Low53 Ų5375.3 Ų75.328%0.28341%0.405SS..THydrogen-bonded Turntrans-81.4-2.2148.3-116.9-44.2000111.9P615 R621P615-D617 PolarHBondContact O-N 2.65Å; D617-R621 VanDerWaalsContact CG-CZ 3.45Å; D617-R621 WeakPolarHBondContact O-CB 3.25Å; D617-R621 WeakPolarHBondContact O-CD 3.38Å; D617-R621 WeakPolarHBondContact O-CG 3.32Å; D617-R621 IonicContact OD1-CZ 3.74Å; D617-R621 IonicContact OD1-NE 2.63Å; D617-R621 PolarHBondContact OD1-NE 2.92Å; D617-R621 IonicContact OD1-NH2 3.93Å; D617-R621 PolarHBondContact OD1-NH2 3.08Å; D617-R621 IonicContact OD2-CZ 3.65Å; D617-R621 VanDerWaalsContact OD2-CZ 3.3Å; D617-R621 IonicContact OD2-NE 2.86Å; D617-R621 PolarHBondContact OD2-NE 3.01Å; D617-R621 IonicContact OD2-NH2 2.82Å; D617-R621 PolarHBondContact OD2-NH2 3.45Å
618R45.3Very low55.3Low172 Ų17277.6 Ų77.665%0.64941%0.409SS*.Hα-helixtrans-69-44.6-175.4-151.7173.4-71.9-173.5-0.4111.7P615 R621 T622P615-R618 PolarHBondContact O-N 3Å; R618-R621 CarbonylContact O-C 3.48Å; R618-T622 WeakPolarHBondContact CG-OG1 3.26Å; R618-T622 VanDerWaalsContact O-CA 3.26Å; R618-T622 WeakPolarHBondContact O-CA 2.99Å; R618-T622 WeakPolarHBondContact O-CB 3.28Å; R618-T622 PolarHBondContact O-N 3.49Å; R618-T622 PolarHBondContact O-OG1 3.42Å
619W39.6Very low55.7Low99 Ų9976.8 Ų76.838%0.37540%0.395SS..Hα-helixtrans-79.5-43.1-165.4-122.884.7000116.5I110 R621 T622 A623I110-W619 VanDerWaalsContact CA-CH2 3.44Å; I110-W619 VanDerWaalsContact CA-CZ2 3.47Å; I110-W619 HydrophobicContact CB-CH2 3.65Å; I110-W619 HydrophobicContact CB-CZ2 4.17Å; I110-W619 HydrophobicContact CB-CZ3 4.4Å; I110-W619 HydrophobicContact CG1-CH2 3.76Å; I110-W619 HydrophobicContact CG1-CZ2 4.25Å; I110-W619 HydrophobicContact CG2-CH2 3.42Å; I110-W619 VanDerWaalsContact CG2-CH2 3.42Å; I110-W619 HydrophobicContact CG2-CZ2 4.37Å; I110-W619 HydrophobicContact CG2-CZ3 3.71Å; I110-W619 VanDerWaalsContact O-CH2 3.31Å; I110-W619 WeakPolarHBondContact O-CH2 3.23Å; I110-W619 VanDerWaalsContact O-CZ2 3.31Å; I110-W619 WeakPolarHBondContact O-CZ2 3.44Å; I110-W619 WeakPolarHBondContact O-CZ3 3.38Å; W619-R621 VanDerWaalsContact C-N 3.35Å; W619-T622 CarbonylContact O-C 3.43Å; W619-T622 PolarHBondContact O-N 2.83Å; W619-T622 VanDerWaalsContact O-N 3.15Å; W619-A623 HydrophobicContact CE3-CB 4.14Å; W619-A623 HydrophobicContact CZ3-CB 4.02Å; W619-A623 WeakPolarHBondContact O-CB 3.18Å; W619-A623 PolarHBondContact O-N 3.23Å
620R43.2Very low56.5Low217 Ų21778.6 Ų78.682%0.81939%0.392SS*.Hα-helixtrans-69.2-38.3174.7-163.4178.6-176.1-134.63.7110.6T622 V624R620-T622 VanDerWaalsContact C-N 3.34Å; R620-V624 WeakPolarHBondContact O-CB 3.41Å; R620-V624 VanDerWaalsContact O-CG2 3.23Å; R620-V624 WeakPolarHBondContact O-CG2 3.18Å; R620-V624 PolarHBondContact O-N 3.2Å; R620-V624 VanDerWaalsContact O-N 3.1Å
621R46.1Very low57.5Low149 Ų14980.8 Ų80.856%0.56240%0.403SS*.Hα-helixtrans-66.9-33.7168.8-59.4-176.6-165.6-158.93.6111.2D617 R618 W619 S625D617-R621 VanDerWaalsContact CG-CZ 3.45Å; D617-R621 WeakPolarHBondContact O-CB 3.25Å; D617-R621 WeakPolarHBondContact O-CD 3.38Å; D617-R621 WeakPolarHBondContact O-CG 3.32Å; D617-R621 IonicContact OD1-CZ 3.74Å; D617-R621 IonicContact OD1-NE 2.63Å; D617-R621 PolarHBondContact OD1-NE 2.92Å; D617-R621 IonicContact OD1-NH2 3.93Å; D617-R621 PolarHBondContact OD1-NH2 3.08Å; D617-R621 IonicContact OD2-CZ 3.65Å; D617-R621 VanDerWaalsContact OD2-CZ 3.3Å; D617-R621 IonicContact OD2-NE 2.86Å; D617-R621 PolarHBondContact OD2-NE 3.01Å; D617-R621 IonicContact OD2-NH2 2.82Å; D617-R621 PolarHBondContact OD2-NH2 3.45Å; R618-R621 CarbonylContact O-C 3.48Å; W619-R621 VanDerWaalsContact C-N 3.35Å; R621-S625 WeakPolarHBondContact O-CA 3.31Å; R621-S625 WeakPolarHBondContact O-CB 3.3Å; R621-S625 PolarHBondContact O-N 3.23Å
622T44.9Very low58.3Low59 Ų5976.9 Ų76.936%0.36238%0.384SS..Hα-helixtrans-81.7-39.3-177.8-60.50000111.7R618 W619 R620 S626R618-T622 WeakPolarHBondContact CG-OG1 3.26Å; R618-T622 VanDerWaalsContact O-CA 3.26Å; R618-T622 WeakPolarHBondContact O-CA 2.99Å; R618-T622 WeakPolarHBondContact O-CB 3.28Å; R618-T622 PolarHBondContact O-N 3.49Å; R618-T622 PolarHBondContact O-OG1 3.42Å; W619-T622 CarbonylContact O-C 3.43Å; W619-T622 PolarHBondContact O-N 2.83Å; W619-T622 VanDerWaalsContact O-N 3.15Å; R620-T622 VanDerWaalsContact C-N 3.34Å; T622-S626 VanDerWaalsContact O-CA 3.28Å; T622-S626 WeakPolarHBondContact O-CA 3.3Å; T622-S626 WeakPolarHBondContact O-CB 3.28Å; T622-S626 PolarHBondContact O-N 2.96Å; T622-S626 PolarHBondContact O-OG 3.31Å
623A50.1Low59.8Low39 Ų3976 Ų7632%0.32237%0.37SS..Hα-helixtrans-70.2-44.2175.200000110.6W619 L627W619-A623 HydrophobicContact CE3-CB 4.14Å; W619-A623 HydrophobicContact CZ3-CB 4.02Å; W619-A623 WeakPolarHBondContact O-CB 3.18Å; W619-A623 PolarHBondContact O-N 3.23Å; A623-L627 WeakPolarHBondContact O-CB 3.34Å; A623-L627 PolarHBondContact O-N 3.44Å
624V58.8Low61.1Low72 Ų7279.8 Ų79.844%0.43639%0.385SS..Hα-helixtrans-70.9-37.9174.2178.90000111.2R620 L627 K628R620-V624 WeakPolarHBondContact O-CB 3.41Å; R620-V624 VanDerWaalsContact O-CG2 3.23Å; R620-V624 WeakPolarHBondContact O-CG2 3.18Å; R620-V624 PolarHBondContact O-N 3.2Å; R620-V624 VanDerWaalsContact O-N 3.1Å; V624-L627 PolarHBondContact O-N 2.89Å; V624-K628 HydrophobicContact CG1-CD 4.12Å; V624-K628 HydrophobicContact CG1-CG 4.43Å; V624-K628 VanDerWaalsContact O-CB 3.24Å; V624-K628 WeakPolarHBondContact O-CB 3.37Å; V624-K628 WeakPolarHBondContact O-CG 3.47Å; V624-K628 PolarHBondContact O-N 2.7Å
625S59.4Low62.2Low61 Ų6185.3 Ų85.343%0.42740%0.402SS..Hα-helixtrans-65.7-45.2172.7175.90000110.4R621 K628 T629R621-S625 WeakPolarHBondContact O-CA 3.31Å; R621-S625 WeakPolarHBondContact O-CB 3.3Å; R621-S625 PolarHBondContact O-N 3.23Å; S625-K628 CarbonylContact O-C 3.18Å; S625-K628 WeakPolarHBondContact O-CA 3.37Å; S625-K628 PolarHBondContact O-N 3.43Å; S625-T629 WeakPolarHBondContact O-CA 3.36Å; S625-T629 WeakPolarHBondContact O-CB 3.43Å; S625-T629 PolarHBondContact O-N 3.23Å; S625-T629 PolarHBondContact O-OG1 2.85Å
626S63.8Low63.5Low42 Ų4283.7 Ų83.729%0.29439%0.388SS..Hα-helixtrans-62.7-42.8175.6-71.60000110.3T622 K628 T629 Y630T622-S626 VanDerWaalsContact O-CA 3.28Å; T622-S626 WeakPolarHBondContact O-CA 3.3Å; T622-S626 WeakPolarHBondContact O-CB 3.28Å; T622-S626 PolarHBondContact O-N 2.96Å; T622-S626 PolarHBondContact O-OG 3.31Å; S626-K628 PolarHBondContact O-N 2.7Å; S626-T629 PolarHBondContact O-N 3.1Å; S626-T629 VanDerWaalsContact O-N 3.15Å; S626-Y630 WeakPolarHBondContact O-CB 3.44Å; S626-Y630 WeakPolarHBondContact O-CD2 3.43Å; S626-Y630 PolarHBondContact O-N 3.38Å
627L68.5Low65.5Low93 Ų9384.5 Ų84.549%0.48739%0.393SS..Hα-helixtrans-62-44.5172.6-127.492.8000111A623 V624 T629 I631 F634A623-L627 WeakPolarHBondContact O-CB 3.34Å; A623-L627 PolarHBondContact O-N 3.44Å; V624-L627 PolarHBondContact O-N 2.89Å; L627-T629 PolarHBondContact O-N 3.36Å; L627-I631 CarbonylContact O-C 3.55Å; L627-I631 WeakPolarHBondContact O-CA 3.22Å; L627-I631 WeakPolarHBondContact O-CB 3.37Å; L627-I631 PolarHBondContact O-N 3.27Å; L627-F634 HydrophobicContact CD2-CD2 3.92Å; L627-F634 HydrophobicContact CD2-CE2 3.75Å; L627-F634 HydrophobicContact CD2-CZ 4.46Å
628K69.7Low67.1Low84 Ų8485.7 Ų85.737%0.36541%0.406SS..Hα-helixtrans-66.7-21.6175.3-74.4179.1177-168.50113.4V624 S625 S626 F634 R635V624-K628 HydrophobicContact CG1-CD 4.12Å; V624-K628 HydrophobicContact CG1-CG 4.43Å; V624-K628 VanDerWaalsContact O-CB 3.24Å; V624-K628 WeakPolarHBondContact O-CB 3.37Å; V624-K628 WeakPolarHBondContact O-CG 3.47Å; V624-K628 PolarHBondContact O-N 2.7Å; S625-K628 CarbonylContact O-C 3.18Å; S625-K628 WeakPolarHBondContact O-CA 3.37Å; S625-K628 PolarHBondContact O-N 3.43Å; S626-K628 PolarHBondContact O-N 2.7Å; K628-F634 HydrophobicContact CG-CB 4.23Å; K628-R635 HydrophobicContact CB-CB 4.45Å
629T71.2Confident68.8Low65 Ų6583.4 Ų83.440%0.39941%0.407SS..Hα-helixtrans-89.8-43.6-180-580000110.7S625 S626 L627 Q971S625-T629 WeakPolarHBondContact O-CA 3.36Å; S625-T629 WeakPolarHBondContact O-CB 3.43Å; S625-T629 PolarHBondContact O-N 3.23Å; S625-T629 PolarHBondContact O-OG1 2.85Å; S626-T629 PolarHBondContact O-N 3.1Å; S626-T629 VanDerWaalsContact O-N 3.15Å; L627-T629 PolarHBondContact O-N 3.36Å; T629-Q971 PolarHBondContact O-OE1 3.3Å
630Y78.2Confident71Confident108 Ų10879.3 Ų79.342%0.42439%0.391SS..Hα-helixtrans-84-27.3-179.4-75.8-70000113.6S626 Q971S626-Y630 WeakPolarHBondContact O-CB 3.44Å; S626-Y630 WeakPolarHBondContact O-CD2 3.43Å; S626-Y630 PolarHBondContact O-N 3.38Å; Y630-Q971 PolarHBondContact O-NE2 3.38Å
631I85.6Confident73.1Confident47 Ų4774 Ų7424%0.24138%0.379CS..SBendtrans-125.585.7176.5-44.6-179.6000108.5L627 I633 F634 F703L627-I631 CarbonylContact O-C 3.55Å; L627-I631 WeakPolarHBondContact O-CA 3.22Å; L627-I631 WeakPolarHBondContact O-CB 3.37Å; L627-I631 PolarHBondContact O-N 3.27Å; I631-I633 HydrophobicContact CG2-CG2 3.62Å; I631-I633 PolarHBondContact O-N 3.43Å; I631-F634 HydrophobicContact CB-CD2 3.9Å; I631-F634 HydrophobicContact CB-CE2 4.06Å; I631-F634 HydrophobicContact CD1-CE2 4.11Å; I631-F634 HydrophobicContact CG2-CD2 4Å; I631-F634 HydrophobicContact CG2-CE2 3.9Å; I631-F634 PolarHBondContact O-N 2.84Å; I631-F703 HydrophobicContact CD1-CE1 4.44Å; I631-F703 HydrophobicContact CG1-CD1 4.49Å; I631-F703 HydrophobicContact CG1-CE1 4.09Å; I631-F703 HydrophobicContact CG2-CD1 4.29Å; I631-F703 HydrophobicContact CG2-CE1 4.14Å
632P83.8Confident75Confident12 Ų1274.3 Ų74.38%0.07838%0.38CS..THydrogen-bonded Turntrans-57.2-20.1-174.6-28.536.8000115.3F634 R635 W636 F703 G704 T705 Q971P632-F634 PolarHBondContact O-N 3.41Å; P632-R635 WeakPolarHBondContact O-CA 3.39Å; P632-R635 WeakPolarHBondContact O-CB 3.29Å; P632-R635 PolarHBondContact O-N 2.85Å; P632-W636 PolarHBondContact O-N 2.93Å; P632-W636 VanDerWaalsContact O-N 3.12Å; P632-F703 WeakPolarHBondContact CD-O 3.4Å; P632-F703 WeakPolarHBondContact CG-O 3.4Å; P632-G704 WeakPolarHBondContact CB-O 3.45Å; P632-T705 HydrophobicContact CG-CG2 4Å; P632-Q971 VanDerWaalsContact CD-NE2 3.34Å; P632-Q971 HydrophobicContact CG-CG 3.86Å
633I87.1Confident76.9Confident42 Ų4283.5 Ų83.522%0.21541%0.408CS..Hα-helixtrans-52.9-40175.6-159.4168.2000113.2I631 R635 W636 L637 A702I631-I633 HydrophobicContact CG2-CG2 3.62Å; I631-I633 PolarHBondContact O-N 3.43Å; I633-R635 PolarHBondContact O-N 3.42Å; I633-W636 HydrophobicContact CD1-CZ2 4.28Å; I633-W636 HydrophobicContact CG1-CZ2 3.74Å; I633-L637 WeakPolarHBondContact O-CB 3.07Å; I633-L637 PolarHBondContact O-N 3.49Å; I633-A702 HydrophobicContact CD1-CB 4.42Å; I633-A702 PolarHBondContact N-O 2.73Å
634F82.9Confident78.5Confident96 Ų9689.4 Ų89.442%0.42143%0.427SS..Hα-helixtrans-71.6-18.4179.1-62-62.2000113L627 K628 I631 P632 S638L627-F634 HydrophobicContact CD2-CD2 3.92Å; L627-F634 HydrophobicContact CD2-CE2 3.75Å; L627-F634 HydrophobicContact CD2-CZ 4.46Å; K628-F634 HydrophobicContact CG-CB 4.23Å; I631-F634 HydrophobicContact CB-CD2 3.9Å; I631-F634 HydrophobicContact CB-CE2 4.06Å; I631-F634 HydrophobicContact CD1-CE2 4.11Å; I631-F634 HydrophobicContact CG2-CD2 4Å; I631-F634 HydrophobicContact CG2-CE2 3.9Å; I631-F634 PolarHBondContact O-N 2.84Å; P632-F634 PolarHBondContact O-N 3.41Å; F634-S638 WeakPolarHBondContact O-CB 3.25Å
635R82Confident79.7Confident167 Ų16787.2 Ų87.263%0.6341%0.412SS*.Hα-helixtrans-82.2-51.5176.2-175.4-179.7178.6172.8-0.6111.1K628 P632 I633K628-R635 HydrophobicContact CB-CB 4.45Å; P632-R635 WeakPolarHBondContact O-CA 3.39Å; P632-R635 WeakPolarHBondContact O-CB 3.29Å; P632-R635 PolarHBondContact O-N 2.85Å; I633-R635 PolarHBondContact O-N 3.42Å
636W82.1Confident80.9Confident26 Ų2688.2 Ų88.210%0.09841%0.409CS..Hα-helixtrans-78-36.2-176.670.5-105000112.4P632 I633 S638 N639 Y640 T1008 L1010P632-W636 PolarHBondContact O-N 2.93Å; P632-W636 VanDerWaalsContact O-N 3.12Å; I633-W636 HydrophobicContact CD1-CZ2 4.28Å; I633-W636 HydrophobicContact CG1-CZ2 3.74Å; W636-S638 VanDerWaalsContact C-N 3.28Å; W636-S638 PolarHBondContact O-N 3.34Å; W636-N639 CarbonylContact O-C 3.44Å; W636-N639 PolarHBondContact O-N 3.49Å; W636-N639 VanDerWaalsContact O-N 3.09Å; W636-Y640 HydrophobicContact CE3-CD2 4.23Å; W636-Y640 HydrophobicContact CZ3-CD2 4.18Å; W636-Y640 PolarHBondContact O-N 3.43Å; W636-T1008 HydrophobicContact CE3-CG2 4.02Å; W636-T1008 HydrophobicContact CZ3-CG2 4.35Å; W636-L1010 HydrophobicContact CH2-CB 4.01Å; W636-L1010 HydrophobicContact CZ3-CB 4.32Å
637L84.7Confident81.9Confident71 Ų7190.5 Ų90.537%0.37242%0.421SS..G310 helixtrans-64.6-34.2178.1-171.865.9000112.2I633 N639 Y640 W642I633-L637 WeakPolarHBondContact O-CB 3.07Å; I633-L637 PolarHBondContact O-N 3.49Å; L637-N639 PolarHBondContact O-N 2.53Å; L637-Y640 WeakPolarHBondContact O-CB 3.47Å; L637-Y640 PolarHBondContact O-N 2.98Å; L637-W642 HydrophobicContact CD1-CZ2 4.27Å
638S81.5Confident82.5Confident78 Ų7887.2 Ų87.255%0.54541%0.406SS..G310 helixtrans-68.3-23.7176.1-177.90000113.3F634 W636F634-S638 WeakPolarHBondContact O-CB 3.25Å; W636-S638 VanDerWaalsContact C-N 3.28Å; W636-S638 PolarHBondContact O-N 3.34Å
639N82.6Confident83.3Confident125 Ų12583.2 Ų83.267%0.66839%0.389SS*.G310 helixtrans-108.518-178.8-66.9-8000111.3W636 L637W636-N639 CarbonylContact O-C 3.44Å; W636-N639 PolarHBondContact O-N 3.49Å; W636-N639 VanDerWaalsContact O-N 3.09Å; L637-N639 PolarHBondContact O-N 2.53Å
640Y85.3Confident83.9Confident13 Ų1382 Ų825%0.05138%0.381CS..  trans-86.2121.3-173.3-168.3-106.5000112.1W636 L637 W642 D645 F646 D649 T1008 L1010W636-Y640 HydrophobicContact CE3-CD2 4.23Å; W636-Y640 HydrophobicContact CZ3-CD2 4.18Å; W636-Y640 PolarHBondContact O-N 3.43Å; L637-Y640 WeakPolarHBondContact O-CB 3.47Å; L637-Y640 PolarHBondContact O-N 2.98Å; Y640-W642 AromaticContact CD1-CD2 3.96Å; Y640-W642 HydrophobicContact CD1-CD2 3.96Å; Y640-W642 HydrophobicContact CD1-CE3 4.3Å; Y640-W642 HydrophobicContact CD1-CG 4.2Å; Y640-W642 HydrophobicContact CE1-CD2 4.35Å; Y640-W642 HydrophobicContact CE1-CE3 4.27Å; Y640-W642 VanDerWaalsContact O-CD1 3.31Å; Y640-W642 PolarHBondContact O-N 3.38Å; Y640-W642 VanDerWaalsContact O-N 3.15Å; Y640-D645 HydrophobicContact CE2-CB 3.8Å; Y640-D645 VanDerWaalsContact OH-C 3.25Å; Y640-D645 PolarHBondContact OH-O 3.38Å; Y640-F646 HydrophobicContact CE1-CB 4.24Å; Y640-F646 VanDerWaalsContact OH-CA 3.27Å; Y640-F646 WeakPolarHBondContact OH-CA 3.42Å; Y640-F646 PolarHBondContact OH-N 3.45Å; Y640-D649 WeakPolarHBondContact CE2-OD2 3.35Å; Y640-D649 PolarHBondContact OH-OD2 2.86Å; Y640-T1008 HydrophobicContact CD2-CG2 3.55Å; Y640-T1008 HydrophobicContact CE2-CG2 3.36Å; Y640-T1008 WeakPolarHBondContact CE2-OG1 3.13Å; Y640-L1010 HydrophobicContact CE1-CD2 4.29Å
641D86.7Confident83.9Confident105 Ų10579.6 Ų79.656%0.56138%0.375SS*.  trans-84.787.6178.3-78-28.8000111.3R643 K644 D645D641-R643 PolarHBondContact O-N 3.07Å; D641-K644 HydrophobicContact CB-CB 4.48Å; D641-K644 PolarHBondContact O-N 2.99Å; D641-D645 PolarHBondContact O-N 3.08Å
642W86.4Confident83.6Confident156 Ų15677.3 Ų77.359%0.59136%0.363SS*.THydrogen-bonded Turntrans-51.6-27.5-177.7-6890.8000115.5L637 Y640 F646L637-W642 HydrophobicContact CD1-CZ2 4.27Å; Y640-W642 AromaticContact CD1-CD2 3.96Å; Y640-W642 HydrophobicContact CD1-CD2 3.96Å; Y640-W642 HydrophobicContact CD1-CE3 4.3Å; Y640-W642 HydrophobicContact CD1-CG 4.2Å; Y640-W642 HydrophobicContact CE1-CD2 4.35Å; Y640-W642 HydrophobicContact CE1-CE3 4.27Å; Y640-W642 VanDerWaalsContact O-CD1 3.31Å; Y640-W642 PolarHBondContact O-N 3.38Å; Y640-W642 VanDerWaalsContact O-N 3.15Å; W642-F646 AromaticContact CE3-CD2 3.97Å; W642-F646 HydrophobicContact CE3-CD2 3.97Å; W642-F646 HydrophobicContact CE3-CG 4.43Å; W642-F646 AromaticContact CZ3-CD2 3.96Å; W642-F646 HydrophobicContact CZ3-CD2 3.96Å; W642-F646 HydrophobicContact CZ3-CE2 4.15Å; W642-F646 WeakPolarHBondContact O-CB 3.46Å
643R84.4Confident83.2Confident252 Ų25276.8 Ų76.895%0.95136%0.36SS*.THydrogen-bonded Turntrans-80.5-31.5-178.4-69.9-176.9179.3-1141.1113.3D641D641-R643 PolarHBondContact O-N 3.07Å
644K83.6Confident82.6Confident163 Ų16378.6 Ų78.671%0.70937%0.369SS*.THydrogen-bonded Turntrans-100-46.1-172.4-172.9-175.8173.6-171.40111.3D641D641-K644 HydrophobicContact CB-CB 4.48Å; D641-K644 PolarHBondContact O-N 2.99Å
645D83.5Confident82.1Confident25 Ų2575.3 Ų75.313%0.13436%0.356CS..Hα-helixtrans-95.6-26-165.3-60.5-24.8000112.5Y640 D641 V647 S648 D649 Q1007Y640-D645 HydrophobicContact CE2-CB 3.8Å; Y640-D645 VanDerWaalsContact OH-C 3.25Å; Y640-D645 PolarHBondContact OH-O 3.38Å; D641-D645 PolarHBondContact O-N 3.08Å; D645-V647 PolarHBondContact O-N 3.26Å; D645-S648 PolarHBondContact O-N 2.93Å; D645-D649 WeakPolarHBondContact O-CB 3.19Å; D645-D649 PolarHBondContact O-N 3.37Å; D645-Q1007 HydrophobicContact CB-CB 4.35Å
646F86Confident81.5Confident83 Ų8367.8 Ų67.836%0.36433%0.329SS..Hα-helixtrans-59-47.9-176.9-177.4-104.8000113.1Y640 W642 S648 D649 V650 L1010Y640-F646 HydrophobicContact CE1-CB 4.24Å; Y640-F646 VanDerWaalsContact OH-CA 3.27Å; Y640-F646 WeakPolarHBondContact OH-CA 3.42Å; Y640-F646 PolarHBondContact OH-N 3.45Å; W642-F646 AromaticContact CE3-CD2 3.97Å; W642-F646 HydrophobicContact CE3-CD2 3.97Å; W642-F646 HydrophobicContact CE3-CG 4.43Å; W642-F646 AromaticContact CZ3-CD2 3.96Å; W642-F646 HydrophobicContact CZ3-CD2 3.96Å; W642-F646 HydrophobicContact CZ3-CE2 4.15Å; W642-F646 WeakPolarHBondContact O-CB 3.46Å; F646-S648 VanDerWaalsContact C-N 3.33Å; F646-S648 PolarHBondContact O-N 3.21Å; F646-D649 PolarHBondContact O-N 3.46Å; F646-V650 HydrophobicContact CD1-CG2 4.32Å; F646-V650 HydrophobicContact CD2-CG2 4.41Å; F646-V650 HydrophobicContact CE1-CG2 3.97Å; F646-V650 HydrophobicContact CE2-CG2 4.07Å; F646-V650 HydrophobicContact CZ-CG2 3.83Å; F646-V650 WeakPolarHBondContact O-CB 3.45Å; F646-V650 VanDerWaalsContact O-CG2 3.23Å; F646-V650 WeakPolarHBondContact O-CG2 3.42Å; F646-V650 PolarHBondContact O-N 3.39Å; F646-L1010 HydrophobicContact CD2-CD2 4.11Å; F646-L1010 HydrophobicContact CE2-CD2 4.37Å
647V84.6Confident80.8Confident90 Ų9066.6 Ų66.655%0.54532%0.324SS..Hα-helixtrans-65-41.5-179.4179.10000110.5D645 V650 I651D645-V647 PolarHBondContact O-N 3.26Å; V647-V650 PolarHBondContact O-N 3.1Å; V647-I651 HydrophobicContact CG1-CD1 3.85Å; V647-I651 VanDerWaalsContact O-CG1 3.31Å; V647-I651 WeakPolarHBondContact O-CG1 3.29Å; V647-I651 PolarHBondContact O-N 3.38Å
648S81.6Confident79.8Confident23 Ų2365.7 Ų65.716%0.16132%0.319CS..Hα-helixtrans-61.6-48.8176.6-168.60000111.1D645 F646 V650 I651 C652 G1005D645-S648 PolarHBondContact O-N 2.93Å; F646-S648 VanDerWaalsContact C-N 3.33Å; F646-S648 PolarHBondContact O-N 3.21Å; S648-V650 VanDerWaalsContact C-N 3.33Å; S648-V650 PolarHBondContact O-N 3.31Å; S648-I651 PolarHBondContact O-N 3.49Å; S648-C652 VanDerWaalsContact O-CB 3.32Å; S648-C652 WeakPolarHBondContact O-CB 3.36Å; S648-C652 PolarHBondContact O-N 3.36Å; S648-C652 PolarHBondContact O-SG 2.98Å; S648-G1005 VanDerWaalsContact OG-C 3.26Å; S648-G1005 PolarHBondContact OG-O 3.42Å
649D85.9Confident78.8Confident0 Ų064.5 Ų64.50%031%0.306CS..Hα-helixtrans-65.9-34-178.9-76.9-23.6000112.5Y640 D645 F646 G653 G1006 Q1007 T1008 L1010 S1011Y640-D649 WeakPolarHBondContact CE2-OD2 3.35Å; Y640-D649 PolarHBondContact OH-OD2 2.86Å; D645-D649 WeakPolarHBondContact O-CB 3.19Å; D645-D649 PolarHBondContact O-N 3.37Å; F646-D649 PolarHBondContact O-N 3.46Å; D649-G653 PolarHBondContact O-N 2.9Å; D649-G1006 WeakPolarHBondContact OD1-CA 3.37Å; D649-Q1007 PolarHBondContact OD1-N 3.27Å; D649-T1008 PolarHBondContact OD1-N 3.25Å; D649-T1008 PolarHBondContact OD2-OG1 3.39Å; D649-L1010 HydrophobicContact CB-CB 4.49Å; D649-S1011 WeakPolarHBondContact O-CA 3.48Å; D649-S1011 VanDerWaalsContact O-CB 3.28Å; D649-S1011 WeakPolarHBondContact O-CB 3.49Å
650V82.8Confident77.6Confident41 Ų4159 Ų5925%0.24828%0.276CS..Hα-helixtrans-66.4-48.6173.3171.80000111.5F646 V647 S648 C652 G653 L654 L1014F646-V650 HydrophobicContact CD1-CG2 4.32Å; F646-V650 HydrophobicContact CD2-CG2 4.41Å; F646-V650 HydrophobicContact CE1-CG2 3.97Å; F646-V650 HydrophobicContact CE2-CG2 4.07Å; F646-V650 HydrophobicContact CZ-CG2 3.83Å; F646-V650 WeakPolarHBondContact O-CB 3.45Å; F646-V650 VanDerWaalsContact O-CG2 3.23Å; F646-V650 WeakPolarHBondContact O-CG2 3.42Å; F646-V650 PolarHBondContact O-N 3.39Å; V647-V650 PolarHBondContact O-N 3.1Å; S648-V650 VanDerWaalsContact C-N 3.33Å; S648-V650 PolarHBondContact O-N 3.31Å; V650-C652 VanDerWaalsContact C-N 3.33Å; V650-C652 PolarHBondContact O-N 2.87Å; V650-G653 PolarHBondContact O-N 3.5Å; V650-L654 HydrophobicContact CG1-CD1 4Å; V650-L654 HydrophobicContact CG1-CG 4.47Å; V650-L654 WeakPolarHBondContact O-CB 3.4Å; V650-L654 VanDerWaalsContact O-CG 3.31Å; V650-L654 WeakPolarHBondContact O-CG 3.46Å; V650-L654 PolarHBondContact O-N 2.94Å; V650-L1014 HydrophobicContact CB-CD1 4.15Å; V650-L1014 HydrophobicContact CG2-CD1 3.58Å
651I79.3Confident76Confident56 Ų5658.8 Ų58.829%0.28728%0.276SS..Hα-helixtrans-61.3-45.2177.6-67.6169.1000110V647 S648 L654 I655 Y861V647-I651 HydrophobicContact CG1-CD1 3.85Å; V647-I651 VanDerWaalsContact O-CG1 3.31Å; V647-I651 WeakPolarHBondContact O-CG1 3.29Å; V647-I651 PolarHBondContact O-N 3.38Å; S648-I651 PolarHBondContact O-N 3.49Å; I651-L654 PolarHBondContact O-N 3.04Å; I651-I655 HydrophobicContact CG2-CD1 3.79Å; I651-I655 HydrophobicContact CG2-CG1 4.44Å; I651-I655 VanDerWaalsContact O-CG1 3.3Å; I651-I655 WeakPolarHBondContact O-CG1 3.44Å; I651-I655 PolarHBondContact O-N 2.88Å; I651-Y861 HydrophobicContact CG2-CD1 4.25Å; I651-Y861 HydrophobicContact CG2-CE1 3.98Å
652C78.6Confident73.9Confident0 Ų054.4 Ų54.40%025%0.253CS..Hα-helixtrans-59.7-47.8176.1-690000112.1S648 V650 L654 I655 V656 L1001 S1004 G1006S648-C652 VanDerWaalsContact O-CB 3.32Å; S648-C652 WeakPolarHBondContact O-CB 3.36Å; S648-C652 PolarHBondContact O-N 3.36Å; S648-C652 PolarHBondContact O-SG 2.98Å; V650-C652 VanDerWaalsContact C-N 3.33Å; V650-C652 PolarHBondContact O-N 2.87Å; C652-L654 VanDerWaalsContact C-N 3.32Å; C652-L654 PolarHBondContact O-N 2.91Å; C652-I655 PolarHBondContact O-N 3.26Å; C652-V656 WeakPolarHBondContact O-CB 3.21Å; C652-V656 WeakPolarHBondContact O-CG2 3.37Å; C652-V656 PolarHBondContact O-N 3.36Å; C652-L1001 HydrophobicContact CB-CD1 4.22Å; C652-S1004 WeakPolarHBondContact SG-CB 3.1Å; C652-S1004 PolarHBondContact SG-O 3.15Å; C652-G1006 VanDerWaalsContact SG-CA 3.55Å; C652-G1006 PolarHBondContact SG-N 3.01Å
653G75.8Confident71.6Confident0 Ų050 Ų500%024%0.24CC..Hα-helixtrans-63.7-36.3178.600000112.8D649 V650 G657 S1011D649-G653 PolarHBondContact O-N 2.9Å; V650-G653 PolarHBondContact O-N 3.5Å; G653-G657 WeakPolarHBondContact O-CA 3.31Å; G653-G657 PolarHBondContact O-N 2.86Å; G653-S1011 WeakPolarHBondContact CA-O 3.25Å
654L74.1Confident69.2Low80 Ų8040.8 Ų40.842%0.41922%0.222SC..Hα-helixtrans-67.4-45.7172.6-74.7171.8000111.9V650 I651 C652 G657 I658 V1018V650-L654 HydrophobicContact CG1-CD1 4Å; V650-L654 HydrophobicContact CG1-CG 4.47Å; V650-L654 WeakPolarHBondContact O-CB 3.4Å; V650-L654 VanDerWaalsContact O-CG 3.31Å; V650-L654 WeakPolarHBondContact O-CG 3.46Å; V650-L654 PolarHBondContact O-N 2.94Å; I651-L654 PolarHBondContact O-N 3.04Å; C652-L654 VanDerWaalsContact C-N 3.32Å; C652-L654 PolarHBondContact O-N 2.91Å; L654-G657 PolarHBondContact O-N 3.41Å; L654-I658 VanDerWaalsContact O-CB 3.28Å; L654-I658 WeakPolarHBondContact O-CB 3.38Å; L654-I658 WeakPolarHBondContact O-CD1 3.22Å; L654-I658 WeakPolarHBondContact O-CG1 3.46Å; L654-I658 PolarHBondContact O-N 3.47Å; L654-V1018 HydrophobicContact CD2-CG2 3.75Å
655I72.4Confident66.9Low28 Ų2837.5 Ų37.514%0.14422%0.219CC..Hα-helixtrans-61.8-50.8177.7-68.6167.8000110.2I651 C652 G657 I658 M659 Y861 V1000I651-I655 HydrophobicContact CG2-CD1 3.79Å; I651-I655 HydrophobicContact CG2-CG1 4.44Å; I651-I655 VanDerWaalsContact O-CG1 3.3Å; I651-I655 WeakPolarHBondContact O-CG1 3.44Å; I651-I655 PolarHBondContact O-N 2.88Å; C652-I655 PolarHBondContact O-N 3.26Å; I655-G657 VanDerWaalsContact C-N 3.3Å; I655-G657 PolarHBondContact O-N 3.34Å; I655-I658 PolarHBondContact O-N 3.44Å; I655-M659 HydrophobicContact CG2-SD 4.35Å; I655-M659 VanDerWaalsContact O-CG 3.28Å; I655-M659 WeakPolarHBondContact O-CG 3.44Å; I655-M659 PolarHBondContact O-N 3.37Å; I655-Y861 HydrophobicContact CD1-CD1 4.26Å; I655-Y861 HydrophobicContact CD1-CG 4.43Å; I655-V1000 HydrophobicContact CG2-CG1 3.9Å
656V69.9Low64.7Low9 Ų941.8 Ų41.86%0.05525%0.248CC..Hα-helixtrans-63.6-37.5178.4174.30000111.1C652 Q660 V1000 L1001C652-V656 WeakPolarHBondContact O-CB 3.21Å; C652-V656 WeakPolarHBondContact O-CG2 3.37Å; C652-V656 PolarHBondContact O-N 3.36Å; V656-Q660 VanDerWaalsContact O-CB 3.25Å; V656-Q660 WeakPolarHBondContact O-CB 3.21Å; V656-Q660 PolarHBondContact O-N 3.12Å; V656-V1000 HydrophobicContact CG2-CB 4.38Å; V656-V1000 HydrophobicContact CG2-CG1 3.86Å; V656-L1001 HydrophobicContact CG2-CD1 3.76Å
657G66.9Low62.3Low0 Ų041.4 Ų41.40%026%0.256CS..Hα-helixtrans-67.7-41.9175.200000113.7G653 L654 I655 M659 Q660 V661G653-G657 WeakPolarHBondContact O-CA 3.31Å; G653-G657 PolarHBondContact O-N 2.86Å; L654-G657 PolarHBondContact O-N 3.41Å; I655-G657 VanDerWaalsContact C-N 3.3Å; I655-G657 PolarHBondContact O-N 3.34Å; G657-M659 VanDerWaalsContact C-N 3.34Å; G657-Q660 CarbonylContact O-C 3.22Å; G657-Q660 WeakPolarHBondContact O-CA 3.31Å; G657-Q660 PolarHBondContact O-N 2.72Å; G657-V661 WeakPolarHBondContact O-CG2 3.36Å; G657-V661 PolarHBondContact O-N 2.92Å
658I64.5Low59.9Low52 Ų5239.7 Ų39.727%0.26724%0.244SC..Hα-helixtrans-65.8-37.6175.5-74.2165.2000111L654 I655 Q660 Q663 L867L654-I658 VanDerWaalsContact O-CB 3.28Å; L654-I658 WeakPolarHBondContact O-CB 3.38Å; L654-I658 WeakPolarHBondContact O-CD1 3.22Å; L654-I658 WeakPolarHBondContact O-CG1 3.46Å; L654-I658 PolarHBondContact O-N 3.47Å; I655-I658 PolarHBondContact O-N 3.44Å; I658-Q660 PolarHBondContact O-N 3.25Å; I658-Q660 VanDerWaalsContact O-N 3.12Å; I658-Q663 VanDerWaalsContact CG2-NE2 3.34Å; I658-L867 HydrophobicContact CG2-CD2 3.66Å
659M60.2Low57.9Low54 Ų5440.5 Ų40.527%0.26625%0.248SC..THydrogen-bonded Turntrans-65.2-10.5172.7-70.4-174.987.700113.2I655 G657 P864 E866 V1000I655-M659 HydrophobicContact CG2-SD 4.35Å; I655-M659 VanDerWaalsContact O-CG 3.28Å; I655-M659 WeakPolarHBondContact O-CG 3.44Å; I655-M659 PolarHBondContact O-N 3.37Å; G657-M659 VanDerWaalsContact C-N 3.34Å; M659-P864 HydrophobicContact CG-CB 3.94Å; M659-E866 WeakPolarHBondContact CE-OE2 3.15Å; M659-V1000 HydrophobicContact CE-CG2 4.28Å; M659-V1000 HydrophobicContact SD-CB 4.46Å; M659-V1000 HydrophobicContact SD-CG1 3.9Å; M659-V1000 HydrophobicContact SD-CG2 3.97Å
660Q56.5Low55.9Low8 Ų842.8 Ų42.84%0.03726%0.259CS..THydrogen-bonded Turntrans-122.7-25.8-168.9-172.861.847.500114.3V656 G657 I658 S673 S675 Y1015V656-Q660 VanDerWaalsContact O-CB 3.25Å; V656-Q660 WeakPolarHBondContact O-CB 3.21Å; V656-Q660 PolarHBondContact O-N 3.12Å; G657-Q660 CarbonylContact O-C 3.22Å; G657-Q660 WeakPolarHBondContact O-CA 3.31Å; G657-Q660 PolarHBondContact O-N 2.72Å; I658-Q660 PolarHBondContact O-N 3.25Å; I658-Q660 VanDerWaalsContact O-N 3.12Å; Q660-S673 PolarHBondContact NE2-OG 2.72Å; Q660-S673 WeakPolarHBondContact O-CB 3.49Å; Q660-S675 PolarHBondContact NE2-OG 3.25Å; Q660-S675 PolarHBondContact OE1-OG 3.39Å; Q660-Y1015 HydrophobicContact CB-CE2 3.83Å; Q660-Y1015 HydrophobicContact CG-CD2 4.4Å; Q660-Y1015 HydrophobicContact CG-CE2 3.42Å; Q660-Y1015 VanDerWaalsContact CG-CE2 3.42Å
661V52.2Low54Low9 Ų941.2 Ų41.26%0.05525%0.25CS..SBendtrans-106.8132.9-178.4-179.90000110.9G657 Q663 Y1015 V1018 V1019G657-V661 WeakPolarHBondContact O-CG2 3.36Å; G657-V661 PolarHBondContact O-N 2.92Å; V661-Q663 PolarHBondContact O-N 2.98Å; V661-Y1015 HydrophobicContact CG2-CD2 4.47Å; V661-Y1015 HydrophobicContact CG2-CE2 3.68Å; V661-V1018 HydrophobicContact CB-CG1 4.18Å; V661-V1018 HydrophobicContact CG2-CG1 4.06Å; V661-V1019 HydrophobicContact CG2-CB 4.31Å; V661-V1019 HydrophobicContact CG2-CG2 3.45Å; V661-V1019 VanDerWaalsContact CG2-CG2 3.45Å
662P43Very low52.6Low14 Ų1439.9 Ų39.99%0.09124%0.244CC..  trans-59.3109.5169.919.4-27.5000109.8G664 L670 S671P662-G664 PolarHBondContact O-N 2.81Å; P662-L670 HydrophobicContact CB-CD1 4.05Å; P662-L670 HydrophobicContact CG-CD1 4.15Å; P662-S671 VanDerWaalsContact CB-O 3.29Å; P662-S671 WeakPolarHBondContact CB-O 3.24Å
663Q38Very low51.5Low64 Ų6440.1 Ų40.130%0.29925%0.245SC..  trans-59.2120.6179.2-84.4-177.7-17.100111.1I658 V661 C665 Y871I658-Q663 VanDerWaalsContact CG2-NE2 3.34Å; V661-Q663 PolarHBondContact O-N 2.98Å; Q663-C665 PolarHBondContact O-N 2.82Å; Q663-Y871 WeakPolarHBondContact CB-OH 3.31Å; Q663-Y871 PolarHBondContact OE1-OH 3.42Å
664G34.8Very low50.9Low57 Ų5741.6 Ų41.659%0.58825%0.251SS*.  trans-8895.6177.400000112.5P662P662-G664 PolarHBondContact O-N 2.81Å
665C35.3Very low50.6Low94 Ų9437.8 Ų37.864%0.63523%0.232SC*.  trans-101.9151.2158-129.30000109.2Q663 S667Q663-C665 PolarHBondContact O-N 2.82Å; C665-S667 PolarHBondContact O-N 3.23Å
666P36.1Very low50.5Low115 Ų11536.7 Ų36.775%0.74723%0.226SC*.SBendtrans-66.20.3-169.4-17.230.5000115.7
667S34.9Very low50.3Low75 Ų7536.3 Ų36.352%0.52422%0.224SC..SBendtrans-130.3109.317047.40000107.7C665C665-S667 PolarHBondContact O-N 3.23Å
668N34.3Very low50.6Low55 Ų5537.4 Ų37.429%0.29423%0.228SC..SBend8525128.7-75.813.5000121.4Y878 Y1039N668-Y878 HydrophobicContact CB-CE1 3.77Å; N668-Y878 HydrophobicContact CB-CE2 3.87Å; N668-Y878 WeakPolarHBondContact CB-OH 3.4Å; N668-Y878 VanDerWaalsContact ND2-CE1 3.28Å; N668-Y878 WeakPolarHBondContact ND2-CE1 3.3Å; N668-Y878 WeakPolarHBondContact O-CE2 3.28Å; N668-Y878 VanDerWaalsContact O-CZ 3.26Å; N668-Y878 PolarHBondContact O-OH 3.36Å; N668-Y1039 WeakPolarHBondContact OD1-CD1 3.37Å; N668-Y1039 WeakPolarHBondContact OD1-CE1 3.28Å
669V41.5Very low51.2Low40 Ų4034.9 Ų34.924%0.24222%0.216CC..  trans-136.7114.4179.2-173.20000113.9Y871 L874V669-Y871 HydrophobicContact CB-CE1 4.35Å; V669-Y871 HydrophobicContact CG1-CD1 4.25Å; V669-Y871 HydrophobicContact CG1-CE1 3.78Å; V669-Y871 HydrophobicContact CG2-CE1 4.19Å; V669-L874 HydrophobicContact CB-CD2 4.37Å; V669-L874 HydrophobicContact CG1-CD1 3.96Å; V669-L874 HydrophobicContact CG1-CD2 4.05Å; V669-L874 HydrophobicContact CG2-CD2 4.2Å
670L42.4Very low51.7Low47 Ų4734.5 Ų34.525%0.24621%0.213CC..  trans-106.988.5166.6-176.171.4000109.3P662 V904 S1043P662-L670 HydrophobicContact CB-CD1 4.05Å; P662-L670 HydrophobicContact CG-CD1 4.15Å; L670-V904 HydrophobicContact CD2-CG2 4.42Å; L670-S1043 PolarHBondContact O-OG 3.46Å
671S42.7Very low52.3Low9 Ų935.8 Ų35.86%0.06322%0.22CC..PPolyproline II helixtrans-77.7123.1174.1-70.60000111.5P662 V870P662-S671 VanDerWaalsContact CB-O 3.29Å; P662-S671 WeakPolarHBondContact CB-O 3.24Å; S671-V870 WeakPolarHBondContact OG-CG1 3.32Å
672I50.2Low53.5Low28 Ų2835.3 Ų35.314%0.14422%0.218CC..PPolyproline II helixtrans-82.3125.1-174.4-60.1-179.1000110.4M676 V901 S1043 L1048I672-M676 HydrophobicContact CB-SD 4.23Å; I672-M676 HydrophobicContact CG2-CB 3.64Å; I672-M676 HydrophobicContact CG2-CG 4.42Å; I672-M676 HydrophobicContact CG2-SD 3.85Å; I672-V901 HydrophobicContact CD1-CB 3.81Å; I672-V901 HydrophobicContact CD1-CG1 3.8Å; I672-V901 HydrophobicContact CD1-CG2 3.6Å; I672-S1043 WeakPolarHBondContact CD1-OG 3.31Å; I672-L1048 HydrophobicContact CG2-CD1 4.07Å
673S56.9Low55Low5 Ų535.3 Ų35.34%0.03522%0.22CC..PPolyproline II helixtrans-76.8153.5178.969.90000112.7Q660 S675 M676 A677Q660-S673 PolarHBondContact NE2-OG 2.72Å; Q660-S673 WeakPolarHBondContact O-CB 3.49Å; S673-S675 PolarHBondContact O-N 3.31Å; S673-M676 PolarHBondContact N-SD 3.02Å; S673-M676 WeakPolarHBondContact O-CB 3.49Å; S673-M676 PolarHBondContact O-N 3.05Å; S673-M676 VanDerWaalsContact OG-CG 3.32Å; S673-M676 WeakPolarHBondContact OG-CG 3.25Å; S673-M676 PolarHBondContact OG-N 2.99Å; S673-A677 PolarHBondContact O-N 2.78Å
674K61.8Low56.9Low30 Ų3032.5 Ų32.513%0.1321%0.207CC..Hα-helixtrans-52.6-30.3172.6-76.8178.3-178.9164.80111.9A677 Y678 E866 I1051K674-A677 WeakPolarHBondContact O-CB 3.42Å; K674-A677 PolarHBondContact O-N 3.19Å; K674-Y678 HydrophobicContact CB-CE2 4.44Å; K674-Y678 WeakPolarHBondContact O-CD2 3.37Å; K674-Y678 VanDerWaalsContact O-CG 3.32Å; K674-Y678 PolarHBondContact O-N 3.4Å; K674-Y678 VanDerWaalsContact O-N 3.15Å; K674-E866 IonicContact NZ-OE1 3.77Å; K674-E866 PolarHBondContact NZ-OE1 3.38Å; K674-I1051 HydrophobicContact CD-CG2 4.21Å; K674-I1051 HydrophobicContact CG-CG2 3.93Å
675S68.8Low58.8Low1 Ų130.7 Ų30.71%0.00718%0.183CC..Hα-helixtrans-74.5-34179.3-44.60000114.2Q660 S673 A677 Y678 A679 G689 S693 T713Q660-S675 PolarHBondContact NE2-OG 3.25Å; Q660-S675 PolarHBondContact OE1-OG 3.39Å; S673-S675 PolarHBondContact O-N 3.31Å; S675-A677 VanDerWaalsContact C-N 3.25Å; S675-A677 PolarHBondContact O-N 2.83Å; S675-Y678 PolarHBondContact O-N 2.98Å; S675-A679 PolarHBondContact O-N 2.6Å; S675-G689 WeakPolarHBondContact CB-O 3.41Å; S675-G689 WeakPolarHBondContact O-CA 2.92Å; S675-S693 WeakPolarHBondContact CB-OG 3.46Å; S675-S693 PolarHBondContact OG-OG 2.91Å; S675-T713 WeakPolarHBondContact CA-OG1 3.43Å; S675-T713 WeakPolarHBondContact CB-OG1 3.44Å; S675-T713 PolarHBondContact OG-OG1 2.92Å
676M70.7Confident60.4Low4 Ų426.5 Ų26.52%0.0216%0.155CC..Hα-helixtrans-62-38.9168.7-71.8168.4175.700110.7I672 S673 Y678 A679 M680 P686 L690I672-M676 HydrophobicContact CB-SD 4.23Å; I672-M676 HydrophobicContact CG2-CB 3.64Å; I672-M676 HydrophobicContact CG2-CG 4.42Å; I672-M676 HydrophobicContact CG2-SD 3.85Å; S673-M676 PolarHBondContact N-SD 3.02Å; S673-M676 WeakPolarHBondContact O-CB 3.49Å; S673-M676 PolarHBondContact O-N 3.05Å; S673-M676 VanDerWaalsContact OG-CG 3.32Å; S673-M676 WeakPolarHBondContact OG-CG 3.25Å; S673-M676 PolarHBondContact OG-N 2.99Å; M676-Y678 VanDerWaalsContact C-N 3.33Å; M676-Y678 PolarHBondContact O-N 2.9Å; M676-A679 PolarHBondContact O-N 3.06Å; M676-M680 WeakPolarHBondContact O-CG 3.27Å; M676-M680 PolarHBondContact O-N 3.29Å; M676-P686 HydrophobicContact CB-CB 4.02Å; M676-P686 HydrophobicContact CG-CB 4.05Å; M676-P686 WeakPolarHBondContact CG-O 3.44Å; M676-L690 HydrophobicContact CE-CD1 3.15Å; M676-L690 HydrophobicContact CE-CD2 4.38Å; M676-L690 HydrophobicContact CE-CG 3.66Å
677A65.6Low62Low2 Ų221.7 Ų21.72%0.01712%0.123CC..Hα-helixtrans-54.8-51175.100000112.3S673 K674 S675 M680 L681 L1048S673-A677 PolarHBondContact O-N 2.78Å; K674-A677 WeakPolarHBondContact O-CB 3.42Å; K674-A677 PolarHBondContact O-N 3.19Å; S675-A677 VanDerWaalsContact C-N 3.25Å; S675-A677 PolarHBondContact O-N 2.83Å; A677-M680 WeakPolarHBondContact O-CB 3.3Å; A677-M680 PolarHBondContact O-N 3.04Å; A677-L681 PolarHBondContact O-N 3.32Å; A677-L1048 VanDerWaalsContact CA-CD2 3.41Å; A677-L1048 HydrophobicContact CB-CD1 3.13Å; A677-L1048 HydrophobicContact CB-CD2 3.42Å; A677-L1048 VanDerWaalsContact CB-CD2 3.42Å; A677-L1048 HydrophobicContact CB-CG 3.34Å
678Y72.6Confident64Low22 Ų2218.7 Ų18.79%0.08610%0.101CC..Hα-helixtrans-72.3-35-174.5-65.4-23.1000111.2K674 S675 M676 M680 L681 A682 T713 A715 S718 V1052K674-Y678 HydrophobicContact CB-CE2 4.44Å; K674-Y678 WeakPolarHBondContact O-CD2 3.37Å; K674-Y678 VanDerWaalsContact O-CG 3.32Å; K674-Y678 PolarHBondContact O-N 3.4Å; K674-Y678 VanDerWaalsContact O-N 3.15Å; S675-Y678 PolarHBondContact O-N 2.98Å; M676-Y678 VanDerWaalsContact C-N 3.33Å; M676-Y678 PolarHBondContact O-N 2.9Å; Y678-M680 VanDerWaalsContact C-N 3.31Å; Y678-M680 PolarHBondContact O-N 3.01Å; Y678-L681 HydrophobicContact CD1-CD1 3.85Å; Y678-L681 HydrophobicContact CE1-CD1 4.38Å; Y678-L681 PolarHBondContact O-N 3.21Å; Y678-A682 PolarHBondContact O-N 2.9Å; Y678-T713 WeakPolarHBondContact CD2-O 3.39Å; Y678-A715 HydrophobicContact CD1-CB 4.12Å; Y678-A715 HydrophobicContact CE1-CB 3.73Å; Y678-S718 WeakPolarHBondContact CB-OG 3.46Å; Y678-S718 VanDerWaalsContact O-CB 3.25Å; Y678-S718 WeakPolarHBondContact O-CB 3.26Å; Y678-S718 PolarHBondContact O-OG 3.11Å; Y678-V1052 HydrophobicContact CE1-CG1 4.33Å; Y678-V1052 HydrophobicContact CE1-CG2 3.71Å
679A76.2Confident65.9Low0 Ų016.1 Ų16.10%09%0.087CC..Hα-helixtrans-60.1-40.4168.200000112.5S675 M676 A682 G683 L684S675-A679 PolarHBondContact O-N 2.6Å; M676-A679 PolarHBondContact O-N 3.06Å; A679-A682 CarbonylContact O-C 3.57Å; A679-A682 WeakPolarHBondContact O-CB 3.28Å; A679-A682 PolarHBondContact O-N 3.02Å; A679-G683 PolarHBondContact O-N 3.13Å; A679-L684 WeakPolarHBondContact O-CB 3.12Å; A679-L684 PolarHBondContact O-N 3.17Å
680M71.7Confident67.3Low45 Ų4515 Ų1522%0.2228%0.08CC..Hα-helixtrans-66.2-38.2174.6-68.7179.671.700112.5M676 A677 Y678 A682 G683 P686 V901 L1048M676-M680 WeakPolarHBondContact O-CG 3.27Å; M676-M680 PolarHBondContact O-N 3.29Å; A677-M680 WeakPolarHBondContact O-CB 3.3Å; A677-M680 PolarHBondContact O-N 3.04Å; Y678-M680 VanDerWaalsContact C-N 3.31Å; Y678-M680 PolarHBondContact O-N 3.01Å; M680-A682 PolarHBondContact O-N 3.18Å; M680-G683 PolarHBondContact O-N 3.34Å; M680-P686 HydrophobicContact CG-CB 4.45Å; M680-P686 HydrophobicContact CG-CG 3.7Å; M680-P686 HydrophobicContact SD-CG 3.9Å; M680-V901 HydrophobicContact CE-CB 4.34Å; M680-V901 HydrophobicContact CE-CG1 3.98Å; M680-V901 HydrophobicContact CE-CG2 4.06Å; M680-V901 HydrophobicContact SD-CB 4.43Å; M680-V901 HydrophobicContact SD-CG1 3.68Å; M680-V901 HydrophobicContact SD-CG2 4.06Å; M680-L1048 HydrophobicContact SD-CD2 4.48Å
681L68.7Low68.9Low35 Ų3514 Ų1418%0.1837%0.073CC..Hα-helixtrans-63.3-31.1172.8-69.3176.6000112.2A677 Y678 G683 S722A677-L681 PolarHBondContact O-N 3.32Å; Y678-L681 HydrophobicContact CD1-CD1 3.85Å; Y678-L681 HydrophobicContact CE1-CD1 4.38Å; Y678-L681 PolarHBondContact O-N 3.21Å; L681-G683 PolarHBondContact O-N 3.42Å; L681-S722 PolarHBondContact O-OG 3.48Å
682A76.5Confident70.7Confident0 Ų013.6 Ų13.60%07%0.07CC..THydrogen-bonded Turntrans-76.72.8172.700000113.9Y678 A679 M680 L684 S718 H725Y678-A682 PolarHBondContact O-N 2.9Å; A679-A682 CarbonylContact O-C 3.57Å; A679-A682 WeakPolarHBondContact O-CB 3.28Å; A679-A682 PolarHBondContact O-N 3.02Å; M680-A682 PolarHBondContact O-N 3.18Å; A682-L684 VanDerWaalsContact C-N 3.25Å; A682-L684 HydrophobicContact CB-CD1 4.34Å; A682-L684 HydrophobicContact CB-CG 4.29Å; A682-L684 PolarHBondContact O-N 2.67Å; A682-S718 VanDerWaalsContact CA-O 3.29Å; A682-S718 WeakPolarHBondContact CA-O 3.43Å; A682-S718 WeakPolarHBondContact CB-O 3.47Å; A682-H725 PolarHBondContact O-ND1 3.35Å
683G74.5Confident71.9Confident13 Ų1312.2 Ų12.213%0.1346%0.063CC..THydrogen-bonded Turntrans72.615.1-177.900000114.4A679 M680 L681 R747A679-G683 PolarHBondContact O-N 3.13Å; M680-G683 PolarHBondContact O-N 3.34Å; L681-G683 PolarHBondContact O-N 3.42Å; G683-R747 WeakPolarHBondContact O-CD 3.39Å; G683-R747 PolarHBondContact O-NH1 3.37Å; G683-R747 VanDerWaalsContact O-NH1 3.12Å
684L79Confident72.8Confident5 Ų513 Ų133%0.0267%0.066CC..SBendtrans-100.6165-178.5-61.6177.3000112.3A679 A682 H688 R747 A751 Q989A679-L684 WeakPolarHBondContact O-CB 3.12Å; A679-L684 PolarHBondContact O-N 3.17Å; A682-L684 VanDerWaalsContact C-N 3.25Å; A682-L684 HydrophobicContact CB-CD1 4.34Å; A682-L684 HydrophobicContact CB-CG 4.29Å; A682-L684 PolarHBondContact O-N 2.67Å; L684-H688 HydrophobicContact CB-CB 4.35Å; L684-H688 HydrophobicContact CD1-CB 4.22Å; L684-R747 HydrophobicContact CD2-CB 3.75Å; L684-R747 VanDerWaalsContact CD2-O 3.3Å; L684-R747 WeakPolarHBondContact CD2-O 3.37Å; L684-A751 HydrophobicContact CD1-CB 3.82Å; L684-A751 HydrophobicContact CD2-CB 4.04Å; L684-Q989 HydrophobicContact CD1-CB 3.8Å; L684-Q989 HydrophobicContact CD1-CG 4.36Å
685H74.2Confident73.7Confident19 Ų1912.4 Ų12.49%0.0886%0.063CC..  trans-64.9134.3171.3-170.2-88.3000110.7V687 H688 L744 P903 P905H685-V687 HydrophobicContact CB-CG1 4.32Å; H685-V687 WeakPolarHBondContact ND1-CB 3.48Å; H685-V687 WeakPolarHBondContact ND1-CG1 3.24Å; H685-V687 PolarHBondContact ND1-N 3.05Å; H685-V687 PolarHBondContact O-N 2.89Å; H685-H688 WeakPolarHBondContact O-CB 3.1Å; H685-H688 PolarHBondContact O-N 2.7Å; H685-H688 PolarHBondContact O-ND1 2.84Å; H685-H688 VanDerWaalsContact O-ND1 3.12Å; H685-L744 HydrophobicContact CB-CD2 3.95Å; H685-P903 PolarHBondContact NE2-O 3.12Å; H685-P905 WeakPolarHBondContact CE1-CD 3.13Å; H685-P905 WeakPolarHBondContact NE2-CD 3.17Å
686P68.6Low74.4Confident6 Ų612.3 Ų12.34%0.0396%0.063CC..THydrogen-bonded Turntrans-46.5-30.3-178.2-31.231.4000115.8M676 M680 H688 G689 V901 V904M676-P686 HydrophobicContact CB-CB 4.02Å; M676-P686 HydrophobicContact CG-CB 4.05Å; M676-P686 WeakPolarHBondContact CG-O 3.44Å; M680-P686 HydrophobicContact CG-CB 4.45Å; M680-P686 HydrophobicContact CG-CG 3.7Å; M680-P686 HydrophobicContact SD-CG 3.9Å; P686-H688 VanDerWaalsContact C-N 3.26Å; P686-H688 PolarHBondContact O-N 2.96Å; P686-G689 PolarHBondContact O-N 3.29Å; P686-G689 VanDerWaalsContact O-N 3.16Å; P686-V901 HydrophobicContact CG-CG1 4.33Å; P686-V904 HydrophobicContact CB-CG2 4.35Å
687V70.1Confident74.9Confident15 Ų1512.3 Ų12.39%0.0916%0.063CC..Hα-helixtrans-60-32.2179.179.20000113.4H685 G689 L690 Y691H685-V687 HydrophobicContact CB-CG1 4.32Å; H685-V687 WeakPolarHBondContact ND1-CB 3.48Å; H685-V687 WeakPolarHBondContact ND1-CG1 3.24Å; H685-V687 PolarHBondContact ND1-N 3.05Å; H685-V687 PolarHBondContact O-N 2.89Å; V687-G689 PolarHBondContact O-N 3.14Å; V687-L690 WeakPolarHBondContact O-CB 3.32Å; V687-L690 PolarHBondContact O-N 2.77Å; V687-Y691 HydrophobicContact CB-CE2 4.39Å; V687-Y691 HydrophobicContact CG1-CE2 3.89Å; V687-Y691 HydrophobicContact CG2-CD2 4.48Å; V687-Y691 HydrophobicContact CG2-CE1 3.89Å; V687-Y691 HydrophobicContact CG2-CE2 3.78Å; V687-Y691 VanDerWaalsContact CG2-CZ 3.44Å; V687-Y691 WeakPolarHBondContact CG2-OH 3.47Å; V687-Y691 PolarHBondContact O-N 2.88Å; V687-Y691 VanDerWaalsContact O-N 3.12Å
688H76.8Confident75.7Confident12 Ų1215.8 Ų15.86%0.0568%0.081CC..Hα-helixtrans-62.5-31.9178.9-67.773.5000111.1L684 H685 P686 L690 Y691 T692 S987L684-H688 HydrophobicContact CB-CB 4.35Å; L684-H688 HydrophobicContact CD1-CB 4.22Å; H685-H688 WeakPolarHBondContact O-CB 3.1Å; H685-H688 PolarHBondContact O-N 2.7Å; H685-H688 PolarHBondContact O-ND1 2.84Å; H685-H688 VanDerWaalsContact O-ND1 3.12Å; P686-H688 VanDerWaalsContact C-N 3.26Å; P686-H688 PolarHBondContact O-N 2.96Å; H688-L690 VanDerWaalsContact C-N 3.35Å; H688-L690 PolarHBondContact O-N 3.43Å; H688-Y691 PolarHBondContact O-N 3.47Å; H688-T692 VanDerWaalsContact O-CB 3.31Å; H688-T692 WeakPolarHBondContact O-CB 3.37Å; H688-T692 PolarHBondContact O-N 3.45Å; H688-T692 PolarHBondContact O-OG1 3.33Å; H688-S987 PolarHBondContact CD2-O 2.88Å
689G74.9Confident76.5Confident0 Ų016.1 Ų16.10%08%0.084CC..Hα-helixtrans-66.9-34175.100000113.5S675 P686 V687 S693S675-G689 WeakPolarHBondContact CB-O 3.41Å; S675-G689 WeakPolarHBondContact O-CA 2.92Å; P686-G689 PolarHBondContact O-N 3.29Å; P686-G689 VanDerWaalsContact O-N 3.16Å; V687-G689 PolarHBondContact O-N 3.14Å; G689-S693 WeakPolarHBondContact O-CB 3.09Å; G689-S693 PolarHBondContact O-N 3.43Å; G689-S693 PolarHBondContact O-OG 3.02Å
690L71.2Confident77.1Confident16 Ų1616.1 Ų16.18%0.0848%0.084CC..Hα-helixtrans-68.7-47.2173.3-92.6164.8000111.3M676 V687 H688 S693 F694M676-L690 HydrophobicContact CE-CD1 3.15Å; M676-L690 HydrophobicContact CE-CD2 4.38Å; M676-L690 HydrophobicContact CE-CG 3.66Å; V687-L690 WeakPolarHBondContact O-CB 3.32Å; V687-L690 PolarHBondContact O-N 2.77Å; H688-L690 VanDerWaalsContact C-N 3.35Å; H688-L690 PolarHBondContact O-N 3.43Å; L690-S693 PolarHBondContact O-N 3.41Å; L690-F694 WeakPolarHBondContact O-CB 3.03Å; L690-F694 PolarHBondContact O-N 2.91Å; L690-F694 VanDerWaalsContact O-N 3.11Å
691Y74.9Confident77.8Confident26 Ų2614.3 Ų14.310%0.1028%0.076CC..Hα-helixtrans-61.1-47.3179.4-60.1-30.9000111.4V687 H688 S693 F694 F695 C988V687-Y691 HydrophobicContact CB-CE2 4.39Å; V687-Y691 HydrophobicContact CG1-CE2 3.89Å; V687-Y691 HydrophobicContact CG2-CD2 4.48Å; V687-Y691 HydrophobicContact CG2-CE1 3.89Å; V687-Y691 HydrophobicContact CG2-CE2 3.78Å; V687-Y691 VanDerWaalsContact CG2-CZ 3.44Å; V687-Y691 WeakPolarHBondContact CG2-OH 3.47Å; V687-Y691 PolarHBondContact O-N 2.88Å; V687-Y691 VanDerWaalsContact O-N 3.12Å; H688-Y691 PolarHBondContact O-N 3.47Å; Y691-S693 VanDerWaalsContact C-N 3.3Å; Y691-S693 PolarHBondContact O-N 3.11Å; Y691-F694 WeakPolarHBondContact O-CA 3.42Å; Y691-F694 WeakPolarHBondContact O-CB 3.12Å; Y691-F694 PolarHBondContact O-N 3.12Å; Y691-F695 WeakPolarHBondContact O-CD2 3.28Å; Y691-F695 PolarHBondContact O-N 2.79Å; Y691-C988 VanDerWaalsContact C-SG 3.51Å
692T80.2Confident78.7Confident1 Ų113.8 Ų13.81%0.0068%0.076CC..Hα-helixtrans-59.2-42.2178.6-56.20000111.7H688 F694 A696 T713 Q989 S991H688-T692 VanDerWaalsContact O-CB 3.31Å; H688-T692 WeakPolarHBondContact O-CB 3.37Å; H688-T692 PolarHBondContact O-N 3.45Å; H688-T692 PolarHBondContact O-OG1 3.33Å; T692-F694 PolarHBondContact O-N 3.47Å; T692-A696 WeakPolarHBondContact O-CB 3.33Å; T692-A696 PolarHBondContact O-N 2.86Å; T692-T713 HydrophobicContact CG2-CG2 3.82Å; T692-Q989 HydrophobicContact CG2-CG 4.18Å; T692-Q989 VanDerWaalsContact CG2-O 3.22Å; T692-Q989 WeakPolarHBondContact CG2-O 3.22Å; T692-Q989 WeakPolarHBondContact OG1-CG 2.98Å; T692-Q989 PolarHBondContact OG1-N 3.36Å; T692-S991 VanDerWaalsContact CG2-CB 3.46Å
693S75.6Confident79.3Confident0 Ų015.8 Ų15.80%09%0.085CC..Hα-helixtrans-72.8-16.7178.8-53.40000113.1S675 G689 L690 Y691 N697 Y1015S675-S693 WeakPolarHBondContact CB-OG 3.46Å; S675-S693 PolarHBondContact OG-OG 2.91Å; G689-S693 WeakPolarHBondContact O-CB 3.09Å; G689-S693 PolarHBondContact O-N 3.43Å; G689-S693 PolarHBondContact O-OG 3.02Å; L690-S693 PolarHBondContact O-N 3.41Å; Y691-S693 VanDerWaalsContact C-N 3.3Å; Y691-S693 PolarHBondContact O-N 3.11Å; S693-N697 PolarHBondContact O-ND2 3.06Å; S693-Y1015 WeakPolarHBondContact O-CE1 3.45Å
694F75.8Confident79.9Confident22 Ų2215.3 Ų15.310%0.0968%0.08CC..Hα-helixtrans-86.1-65177.7170-101.3000111.9L690 Y691 T692 A696 N697 L698 Y1015 F1016L690-F694 WeakPolarHBondContact O-CB 3.03Å; L690-F694 PolarHBondContact O-N 2.91Å; L690-F694 VanDerWaalsContact O-N 3.11Å; Y691-F694 WeakPolarHBondContact O-CA 3.42Å; Y691-F694 WeakPolarHBondContact O-CB 3.12Å; Y691-F694 PolarHBondContact O-N 3.12Å; T692-F694 PolarHBondContact O-N 3.47Å; F694-A696 VanDerWaalsContact C-N 3.3Å; F694-A696 PolarHBondContact O-N 3.07Å; F694-N697 PolarHBondContact O-N 3.19Å; F694-L698 PolarHBondContact O-N 3.47Å; F694-Y1015 HydrophobicContact CB-CE1 3.9Å; F694-Y1015 HydrophobicContact CD2-CD1 4.38Å; F694-Y1015 HydrophobicContact CD2-CE1 4.28Å; F694-F1016 HydrophobicContact CE2-CB 4.25Å; F694-F1016 AromaticContact CE2-CD2 3.34Å; F694-F1016 HydrophobicContact CE2-CD2 3.34Å; F694-F1016 HydrophobicContact CE2-CE2 4.01Å; F694-F1016 HydrophobicContact CE2-CG 4.15Å; F694-F1016 AromaticContact CZ-CD2 3.54Å; F694-F1016 HydrophobicContact CZ-CD2 3.54Å; F694-F1016 AromaticContact CZ-CE2 3.81Å; F694-F1016 HydrophobicContact CZ-CE2 3.81Å
695F80.5Confident80.2Confident16 Ų1616.3 Ų16.37%0.079%0.086CC..Hα-helixtrans-63.4-40.7-174.7-72.3-74000111.3Y691 N697 L698 L699 I923 P924 F986Y691-F695 WeakPolarHBondContact O-CD2 3.28Å; Y691-F695 PolarHBondContact O-N 2.79Å; F695-N697 PolarHBondContact O-N 2.86Å; F695-L698 PolarHBondContact O-N 3.12Å; F695-L699 HydrophobicContact CB-CD1 4.38Å; F695-L699 WeakPolarHBondContact O-CB 3.39Å; F695-L699 WeakPolarHBondContact O-CD1 3.29Å; F695-L699 VanDerWaalsContact O-CG 3.25Å; F695-L699 WeakPolarHBondContact O-CG 3.45Å; F695-L699 PolarHBondContact O-N 3.03Å; F695-I923 HydrophobicContact CE1-CG2 4.47Å; F695-I923 HydrophobicContact CZ-CG2 3.92Å; F695-P924 HydrophobicContact CE2-CG 4.32Å; F695-F986 AromaticContact CD1-CD2 3.64Å; F695-F986 HydrophobicContact CD1-CD2 3.64Å; F695-F986 AromaticContact CD1-CE2 3.94Å; F695-F986 HydrophobicContact CD1-CE2 3.94Å; F695-F986 HydrophobicContact CD1-CG 4.18Å; F695-F986 HydrophobicContact CD2-CB 3.72Å; F695-F986 HydrophobicContact CD2-CD2 4.17Å; F695-F986 HydrophobicContact CD2-CG 4.09Å; F695-F986 HydrophobicContact CE1-CB 4.33Å; F695-F986 HydrophobicContact CE1-CD1 4.02Å; F695-F986 AromaticContact CE1-CD2 3.46Å; F695-F986 HydrophobicContact CE1-CD2 3.46Å; F695-F986 VanDerWaalsContact CE1-CD2 3.46Å; F695-F986 HydrophobicContact CE1-CE1 4.16Å; F695-F986 AromaticContact CE1-CE2 3.63Å; F695-F986 HydrophobicContact CE1-CE2 3.63Å; F695-F986 AromaticContact CE1-CG 3.66Å; F695-F986 HydrophobicContact CE1-CG 3.66Å; F695-F986 AromaticContact CE1-CZ 3.97Å; F695-F986 HydrophobicContact CE1-CZ 3.97Å; F695-F986 HydrophobicContact CE2-CB 3.33Å; F695-F986 HydrophobicContact CE2-CD1 4.17Å; F695-F986 HydrophobicContact CE2-CD2 4.04Å; F695-F986 AromaticContact CE2-CG 3.59Å; F695-F986 HydrophobicContact CE2-CG 3.59Å; F695-F986 HydrophobicContact CG-CB 4.37Å; F695-F986 AromaticContact CG-CD2 3.99Å; F695-F986 HydrophobicContact CG-CD2 3.99Å; F695-F986 HydrophobicContact CG-CG 4.37Å; F695-F986 HydrophobicContact CZ-CB 3.66Å; F695-F986 AromaticContact CZ-CD1 3.59Å; F695-F986 HydrophobicContact CZ-CD1 3.59Å; F695-F986 AromaticContact CZ-CD2 3.67Å; F695-F986 HydrophobicContact CZ-CD2 3.67Å; F695-F986 HydrophobicContact CZ-CE1 4.1Å; F695-F986 HydrophobicContact CZ-CE2 4.18Å; F695-F986 AromaticContact CZ-CG 3.34Å; F695-F986 HydrophobicContact CZ-CG 3.34Å; F695-F986 HydrophobicContact CZ-CZ 4.37Å
696A84Confident80.8Confident0 Ų015.4 Ų15.40%08%0.082CC..Hα-helixtrans-67.6-36.2-174.700000113T692 F694 Y700 F711 V979T692-A696 WeakPolarHBondContact O-CB 3.33Å; T692-A696 PolarHBondContact O-N 2.86Å; F694-A696 VanDerWaalsContact C-N 3.3Å; F694-A696 PolarHBondContact O-N 3.07Å; A696-Y700 WeakPolarHBondContact O-CB 3.21Å; A696-Y700 PolarHBondContact O-N 3.43Å; A696-F711 HydrophobicContact CB-CB 4.38Å; A696-F711 HydrophobicContact CB-CD1 3.76Å; A696-V979 HydrophobicContact CB-CG1 3.68Å
697N81.4Confident81.5Confident4 Ų418 Ų182%0.0219%0.094CC..Hα-helixtrans-69.6-42.9175.5-85.9-40.7000112.6S693 F694 F695 Y700 C701 S710 F711 R997S693-N697 PolarHBondContact O-ND2 3.06Å; F694-N697 PolarHBondContact O-N 3.19Å; F695-N697 PolarHBondContact O-N 2.86Å; N697-Y700 PolarHBondContact O-N 3.06Å; N697-C701 WeakPolarHBondContact O-CB 3.32Å; N697-C701 PolarHBondContact O-N 3.29Å; N697-S710 PolarHBondContact OD1-OG 3.2Å; N697-F711 PolarHBondContact ND2-O 2.76Å; N697-F711 VanDerWaalsContact ND2-O 3.12Å; N697-F711 PolarHBondContact OD1-N 2.92Å; N697-F711 PolarHBondContact OD1-O 3.49Å; N697-R997 PolarHBondContact ND2-NH1 3.41Å
698L83.4Confident82.2Confident74 Ų7417.5 Ų17.539%0.3879%0.09SC..Hα-helixtrans-62.9-46.3179.3179.864.4000111.1F694 F695 C701F694-L698 PolarHBondContact O-N 3.47Å; F695-L698 PolarHBondContact O-N 3.12Å; L698-C701 WeakPolarHBondContact O-CB 3.29Å; L698-C701 PolarHBondContact O-N 3.27Å
699L88.2Confident82.5Confident29 Ų2916.9 Ų16.915%0.1529%0.088CC..Hα-helixtrans-69.3-39.4179.4-67.4165.4000111.4F695 C701 A702 F703 V979 V982F695-L699 HydrophobicContact CB-CD1 4.38Å; F695-L699 WeakPolarHBondContact O-CB 3.39Å; F695-L699 WeakPolarHBondContact O-CD1 3.29Å; F695-L699 VanDerWaalsContact O-CG 3.25Å; F695-L699 WeakPolarHBondContact O-CG 3.45Å; F695-L699 PolarHBondContact O-N 3.03Å; L699-C701 VanDerWaalsContact C-N 3.29Å; L699-C701 PolarHBondContact O-N 3.34Å; L699-A702 PolarHBondContact O-N 3.27Å; L699-A702 VanDerWaalsContact O-N 3.12Å; L699-F703 WeakPolarHBondContact O-CD2 3.41Å; L699-F703 PolarHBondContact O-N 2.84Å; L699-V979 HydrophobicContact CB-CB 4.4Å; L699-V979 HydrophobicContact CB-CG2 3.68Å; L699-V982 HydrophobicContact CD1-CB 3.66Å; L699-V982 HydrophobicContact CD1-CG1 3.71Å; L699-V982 HydrophobicContact CD2-CB 4.26Å; L699-V982 HydrophobicContact CD2-CG1 3.96Å; L699-V982 HydrophobicContact CG-CG1 4.47Å
700Y89Confident82.7Confident0 Ų016.9 Ų16.90%09%0.088CC..Hα-helixtrans-65.6-33.1177.9-171.7-107.1000112.4A696 N697 A702 F703 G704 S706 I709 F711 E972 A975 Y976A696-Y700 WeakPolarHBondContact O-CB 3.21Å; A696-Y700 PolarHBondContact O-N 3.43Å; N697-Y700 PolarHBondContact O-N 3.06Å; Y700-A702 PolarHBondContact O-N 2.74Å; Y700-F703 PolarHBondContact O-N 2.8Å; Y700-G704 VanDerWaalsContact CE2-CA 3.45Å; Y700-G704 WeakPolarHBondContact O-CA 3.33Å; Y700-G704 PolarHBondContact O-N 2.7Å; Y700-S706 WeakPolarHBondContact OH-CB 3.46Å; Y700-I709 HydrophobicContact CD1-CG2 4.49Å; Y700-I709 HydrophobicContact CE1-CB 3.93Å; Y700-I709 HydrophobicContact CE1-CG2 3.84Å; Y700-F711 HydrophobicContact CD1-CD2 4.49Å; Y700-F711 HydrophobicContact CD2-CD2 4.14Å; Y700-F711 HydrophobicContact CE2-CD2 4.5Å; Y700-F711 HydrophobicContact CG-CB 4.35Å; Y700-F711 HydrophobicContact CG-CD2 4.14Å; Y700-F711 HydrophobicContact CG-CG 4.42Å; Y700-E972 WeakPolarHBondContact CE2-OE2 3.47Å; Y700-E972 VanDerWaalsContact OH-CD 3.29Å; Y700-E972 PolarHBondContact OH-OE1 3.47Å; Y700-E972 PolarHBondContact OH-OE2 2.96Å; Y700-A975 HydrophobicContact CD2-CB 4.39Å; Y700-A975 HydrophobicContact CE2-CB 4.29Å; Y700-Y976 HydrophobicContact CD2-CD1 4.04Å; Y700-Y976 AromaticContact CD2-CE1 3.81Å; Y700-Y976 HydrophobicContact CD2-CE1 3.81Å; Y700-Y976 AromaticContact CE2-CD1 3.89Å; Y700-Y976 HydrophobicContact CE2-CD1 3.89Å; Y700-Y976 AromaticContact CE2-CE1 3.26Å; Y700-Y976 HydrophobicContact CE2-CE1 3.26Å
701C86.9Confident83Confident8 Ų816.1 Ų16.15%0.0548%0.084CC..Hα-helixtrans-56.8-34.9173.1-173.60000112.8N697 L698 L699 Q1009 A1013N697-C701 WeakPolarHBondContact O-CB 3.32Å; N697-C701 PolarHBondContact O-N 3.29Å; L698-C701 WeakPolarHBondContact O-CB 3.29Å; L698-C701 PolarHBondContact O-N 3.27Å; L699-C701 VanDerWaalsContact C-N 3.29Å; L699-C701 PolarHBondContact O-N 3.34Å; C701-Q1009 HydrophobicContact CB-CB 4.2Å; C701-Q1009 PolarHBondContact SG-O 2.81Å; C701-A1013 HydrophobicContact CB-CB 4.05Å
702A87.7Confident83.1Confident23 Ų2314.9 Ų14.919%0.198%0.079CC..Hα-helixtrans-78.3-42.1-179.600000113.4I633 L699 Y700I633-A702 HydrophobicContact CD1-CB 4.42Å; I633-A702 PolarHBondContact N-O 2.73Å; L699-A702 PolarHBondContact O-N 3.27Å; L699-A702 VanDerWaalsContact O-N 3.12Å; Y700-A702 PolarHBondContact O-N 2.74Å
703F89Confident82.9Confident42 Ų4214.9 Ų14.918%0.1848%0.079CC..Hα-helixtrans-108.9-18.4-167.6-63.5-76.1000115.1I631 P632 L699 Y700 Q971 A975 I978I631-F703 HydrophobicContact CD1-CE1 4.44Å; I631-F703 HydrophobicContact CG1-CD1 4.49Å; I631-F703 HydrophobicContact CG1-CE1 4.09Å; I631-F703 HydrophobicContact CG2-CD1 4.29Å; I631-F703 HydrophobicContact CG2-CE1 4.14Å; P632-F703 WeakPolarHBondContact CD-O 3.4Å; P632-F703 WeakPolarHBondContact CG-O 3.4Å; L699-F703 WeakPolarHBondContact O-CD2 3.41Å; L699-F703 PolarHBondContact O-N 2.84Å; Y700-F703 PolarHBondContact O-N 2.8Å; F703-Q971 PolarHBondContact O-NE2 3.36Å; F703-A975 HydrophobicContact CB-CB 3.8Å; F703-A975 WeakPolarHBondContact O-CB 3.5Å; F703-I978 HydrophobicContact CD1-CD1 3.9Å; F703-I978 HydrophobicContact CD2-CG2 3.87Å; F703-I978 HydrophobicContact CE1-CD1 4Å; F703-I978 HydrophobicContact CE2-CG2 3.71Å; F703-I978 HydrophobicContact CG-CD1 4.24Å; F703-I978 HydrophobicContact CG-CG2 4.46Å; F703-I978 HydrophobicContact CZ-CD1 4.44Å; F703-I978 HydrophobicContact CZ-CG2 4.17Å
704G87.3Confident83Confident3 Ų316.3 Ų16.33%0.0319%0.085CC..  trans-76.6151.7-176.900000113.8P632 Y700P632-G704 WeakPolarHBondContact CB-O 3.45Å; Y700-G704 VanDerWaalsContact CE2-CA 3.45Å; Y700-G704 WeakPolarHBondContact O-CA 3.33Å; Y700-G704 PolarHBondContact O-N 2.7Å
705T85.4Confident82.7Confident26 Ų2615.4 Ų15.416%0.168%0.082CC..  trans-99.7-25.7177.165.30000113.2P632 H707 D968 Q971 E972P632-T705 HydrophobicContact CG-CG2 4Å; T705-H707 PolarHBondContact O-CD2 2.7Å; T705-D968 HydrophobicContact CG2-CB 4.33Å; T705-Q971 HydrophobicContact CG2-CB 3.7Å; T705-Q971 HydrophobicContact CG2-CG 3.35Å; T705-E972 WeakPolarHBondContact CA-OE1 3.03Å; T705-E972 WeakPolarHBondContact CB-OE1 3.36Å; T705-E972 PolarHBondContact N-OE1 2.99Å; T705-E972 PolarHBondContact OG1-OE1 3.43Å
706S85.9Confident82.3Confident0 Ų015.2 Ų15.20%08%0.081CC..  trans-74.1137.6177.3-172.10000111.2Y700 I709 Y965 E972 Q1009Y700-S706 WeakPolarHBondContact OH-CB 3.46Å; S706-I709 VanDerWaalsContact CB-CD1 3.45Å; S706-I709 WeakPolarHBondContact OG-CD1 3.28Å; S706-I709 VanDerWaalsContact OG-CG1 3.31Å; S706-I709 WeakPolarHBondContact OG-CG1 3.32Å; S706-Y965 PolarHBondContact OG-OH 3.42Å; S706-E972 PolarHBondContact N-OE1 3.26Å; S706-Q1009 VanDerWaalsContact O-CG 3.22Å; S706-Q1009 WeakPolarHBondContact O-CG 3.2Å; S706-Q1009 PolarHBondContact O-NE2 3.11Å
707H83.8Confident82.2Confident62 Ų6215.2 Ų15.229%0.2878%0.081SC..SBendtrans-85.7-26.8179.8-66.4-169.1000113.9T705 Q1007 T1008 Q1009T705-H707 PolarHBondContact O-CD2 2.7Å; H707-Q1007 WeakPolarHBondContact CB-O 3.49Å; H707-Q1007 PolarHBondContact ND1-O 2.7Å; H707-T1008 CarbonylContact O-C 3.58Å; H707-Q1009 PolarHBondContact O-NE2 3.18Å; H707-Q1009 VanDerWaalsContact O-NE2 3.14Å
708H83.7Confident82.2Confident3 Ų315.1 Ų15.11%0.0148%0.08CC..SBendtrans-109-4-168.8-58.291.2000114.1F959 Y963 Y965 S998 G1006H708-F959 HydrophobicContact CB-CB 4.2Å; H708-F959 HydrophobicContact CB-CD1 4.18Å; H708-F959 HydrophobicContact CB-CD2 4.25Å; H708-F959 HydrophobicContact CB-CG 3.96Å; H708-Y963 AromaticContact CE1-CD2 3.49Å; H708-Y963 VanDerWaalsContact CE1-CD2 3.49Å; H708-Y963 WeakPolarHBondContact CE1-CD2 3.48Å; H708-Y963 AromaticContact CE1-CE2 3.91Å; H708-Y963 AromaticContact CE1-CG 3.63Å; H708-Y963 AromaticContact ND1-CD2 3.77Å; H708-Y963 AromaticContact NE2-CD2 3.83Å; H708-Y963 AromaticContact NE2-CE2 3.79Å; H708-Y963 AromaticContact NE2-CZ 3.92Å; H708-Y965 AromaticContact CE1-CE1 3.94Å; H708-Y965 AromaticContact ND1-CE1 3.55Å; H708-Y965 AromaticContact ND1-CZ 3.89Å; H708-Y965 PolarHBondContact ND1-OH 3.36Å; H708-S998 VanDerWaalsContact O-CA 3.31Å; H708-S998 WeakPolarHBondContact O-CA 3.5Å; H708-S998 VanDerWaalsContact O-CB 3.24Å; H708-S998 WeakPolarHBondContact O-CB 3.47Å; H708-G1006 PolarHBondContact CD2-O 3.28Å; H708-G1006 PolarHBondContact NE2-O 2.93Å; H708-G1006 VanDerWaalsContact NE2-O 3.12Å
709I82.9Confident81.6Confident0 Ų013.8 Ų13.80%07%0.074CC..  trans-77.4126.9179.2-73.2173.7000110.2Y700 S706 F711 S952 A993 Q1009Y700-I709 HydrophobicContact CD1-CG2 4.49Å; Y700-I709 HydrophobicContact CE1-CB 3.93Å; Y700-I709 HydrophobicContact CE1-CG2 3.84Å; S706-I709 VanDerWaalsContact CB-CD1 3.45Å; S706-I709 WeakPolarHBondContact OG-CD1 3.28Å; S706-I709 VanDerWaalsContact OG-CG1 3.31Å; S706-I709 WeakPolarHBondContact OG-CG1 3.32Å; I709-F711 HydrophobicContact CG2-CD2 4.22Å; I709-S952 WeakPolarHBondContact CD1-O 3.2Å; I709-A993 HydrophobicContact CG2-CB 3.56Å; I709-Q1009 PolarHBondContact O-NE2 3.24Å; I709-Q1009 PolarHBondContact O-OE1 2.89Å; I709-Q1009 VanDerWaalsContact O-OE1 3.05Å
710S79.7Confident81.2Confident0 Ų013.7 Ų13.70%07%0.072CC..  trans-104.2122.7165.7-178.40000110.4N697 S994 R997 S998N697-S710 PolarHBondContact OD1-OG 3.2Å; S710-S994 PolarHBondContact O-N 3.39Å; S710-R997 PolarHBondContact OG-NH1 3.33Å; S710-S998 PolarHBondContact N-OG 3.42Å
711F78.8Confident81Confident0 Ų013.7 Ų13.70%07%0.073CC..EExtended strand (participates in β ladder)trans-89.4143.2-173.1-137.2-96.1000112.8A696 N697 Y700 I709 Y976 V979 H980 S991 R997A696-F711 HydrophobicContact CB-CB 4.38Å; A696-F711 HydrophobicContact CB-CD1 3.76Å; N697-F711 PolarHBondContact ND2-O 2.76Å; N697-F711 VanDerWaalsContact ND2-O 3.12Å; N697-F711 PolarHBondContact OD1-N 2.92Å; N697-F711 PolarHBondContact OD1-O 3.49Å; Y700-F711 HydrophobicContact CD1-CD2 4.49Å; Y700-F711 HydrophobicContact CD2-CD2 4.14Å; Y700-F711 HydrophobicContact CE2-CD2 4.5Å; Y700-F711 HydrophobicContact CG-CB 4.35Å; Y700-F711 HydrophobicContact CG-CD2 4.14Å; Y700-F711 HydrophobicContact CG-CG 4.42Å; I709-F711 HydrophobicContact CG2-CD2 4.22Å; F711-Y976 HydrophobicContact CD2-CD1 4.29Å; F711-Y976 AromaticContact CD2-CE1 3.95Å; F711-Y976 HydrophobicContact CD2-CE1 3.95Å; F711-Y976 HydrophobicContact CE1-CD1 4.46Å; F711-Y976 AromaticContact CE2-CD1 3.34Å; F711-Y976 HydrophobicContact CE2-CD1 3.34Å; F711-Y976 AromaticContact CE2-CE1 3.11Å; F711-Y976 HydrophobicContact CE2-CE1 3.11Å; F711-Y976 HydrophobicContact CE2-CG 4.17Å; F711-Y976 AromaticContact CE2-CZ 3.8Å; F711-Y976 AromaticContact CZ-CD1 3.4Å; F711-Y976 HydrophobicContact CZ-CD1 3.4Å; F711-Y976 VanDerWaalsContact CZ-CD1 3.4Å; F711-Y976 AromaticContact CZ-CE1 3.7Å; F711-Y976 HydrophobicContact CZ-CE1 3.7Å; F711-Y976 AromaticContact CZ-CG 3.89Å; F711-Y976 HydrophobicContact CZ-CG 3.89Å; F711-V979 HydrophobicContact CD1-CG1 4.13Å; F711-V979 HydrophobicContact CE1-CG1 4.08Å; F711-H980 AromaticContact CE1-NE2 3.94Å; F711-S991 VanDerWaalsContact CD1-OG 3.29Å; F711-S991 WeakPolarHBondContact CD1-OG 3.45Å; F711-S991 WeakPolarHBondContact CE1-O 3.26Å; F711-S991 WeakPolarHBondContact CE1-OG 3.45Å; F711-R997 VanDerWaalsContact O-CZ 3.31Å; F711-R997 PolarHBondContact O-NH1 3.42Å; F711-R997 PolarHBondContact O-NH2 3.2Å
712G76.6Confident80.7Confident0 Ų013.5 Ų13.50%07%0.071CC..EExtended strand (participates in β ladder)trans156.7-154.9174.300000112.7S991 S992 R997G712-S991 CarbonylContact O-C 3.55Å; G712-S991 WeakPolarHBondContact O-CA 3.45Å; G712-S991 VanDerWaalsContact O-CB 3.32Å; G712-S991 WeakPolarHBondContact O-CB 3.31Å; G712-S992 CarbonylContact C-O 3.59Å; G712-S992 PolarHBondContact N-O 3.3Å; G712-S992 CarbonylContact O-C 3.32Å; G712-S992 PolarHBondContact O-N 3.25Å; G712-R997 VanDerWaalsContact C-NH2 3.34Å
713T75.8Confident80.2Confident1 Ų114.3 Ų14.31%0.0068%0.076CC..  trans-71.3139.4-16756.30000112.7S675 Y678 T692 Q989S675-T713 WeakPolarHBondContact CA-OG1 3.43Å; S675-T713 WeakPolarHBondContact CB-OG1 3.44Å; S675-T713 PolarHBondContact OG-OG1 2.92Å; Y678-T713 WeakPolarHBondContact CD2-O 3.39Å; T692-T713 HydrophobicContact CG2-CG2 3.82Å; T713-Q989 HydrophobicContact CG2-CG 4.32Å
714F76.7Confident80.1Confident30 Ų3012.5 Ų12.513%0.1327%0.068CC..  trans-128.3144.5176.9-162.2-97.7000110.9I716 I717 S718 L951 M955 S992 A993F714-I716 HydrophobicContact CD1-CB 4Å; F714-I716 HydrophobicContact CD1-CD1 4.33Å; F714-I716 HydrophobicContact CD1-CG1 4.03Å; F714-I716 HydrophobicContact CE1-CB 4.15Å; F714-I716 HydrophobicContact CE1-CD1 3.64Å; F714-I716 HydrophobicContact CE1-CG1 3.68Å; F714-I716 PolarHBondContact O-N 2.97Å; F714-I717 HydrophobicContact CB-CD1 4.41Å; F714-I717 PolarHBondContact O-N 3.12Å; F714-S718 PolarHBondContact O-N 3.08Å; F714-S718 PolarHBondContact O-OG 3.08Å; F714-L951 HydrophobicContact CD1-CD1 3.9Å; F714-L951 HydrophobicContact CE1-CD1 3.89Å; F714-M955 HydrophobicContact CE2-CE 3.82Å; F714-M955 HydrophobicContact CZ-CE 4.23Å; F714-S992 WeakPolarHBondContact CB-OG 3.34Å; F714-A993 WeakPolarHBondContact CD2-O 3.46Å
715A70.7Confident80Confident3 Ų312.4 Ų12.43%0.0257%0.067CC..Hα-helixtrans-63.1-41.8-170.100000113.4Y678 S718 I719 I793Y678-A715 HydrophobicContact CD1-CB 4.12Å; Y678-A715 HydrophobicContact CE1-CB 3.73Å; A715-S718 PolarHBondContact O-N 3.33Å; A715-I719 WeakPolarHBondContact O-CG1 3.5Å; A715-I719 PolarHBondContact O-N 3.19Å; A715-I793 HydrophobicContact CB-CD1 3.66Å; A715-I793 HydrophobicContact CB-CG1 3.97Å; A715-I793 HydrophobicContact CB-CG2 4.31Å
716I71.8Confident79.8Confident11 Ų1113.9 Ų13.96%0.0567%0.073CC..Hα-helixtrans-61.6-49.4179.1-58.1175.8000110.4F714 S718 I719 M720 F785 A789 I793 V947 L951 A1092F714-I716 HydrophobicContact CD1-CB 4Å; F714-I716 HydrophobicContact CD1-CD1 4.33Å; F714-I716 HydrophobicContact CD1-CG1 4.03Å; F714-I716 HydrophobicContact CE1-CB 4.15Å; F714-I716 HydrophobicContact CE1-CD1 3.64Å; F714-I716 HydrophobicContact CE1-CG1 3.68Å; F714-I716 PolarHBondContact O-N 2.97Å; I716-S718 VanDerWaalsContact C-N 3.27Å; I716-S718 PolarHBondContact O-N 3.4Å; I716-I719 PolarHBondContact O-N 3.42Å; I716-M720 HydrophobicContact CG2-CG 4.4Å; I716-M720 HydrophobicContact CG2-SD 3.98Å; I716-M720 WeakPolarHBondContact O-CG 3.37Å; I716-M720 PolarHBondContact O-N 2.98Å; I716-F785 HydrophobicContact CD1-CE1 4.46Å; I716-F785 HydrophobicContact CD1-CZ 4.35Å; I716-A789 HydrophobicContact CD1-CB 3.2Å; I716-A789 HydrophobicContact CG1-CB 3.78Å; I716-I793 HydrophobicContact CG1-CD1 4Å; I716-V947 HydrophobicContact CG2-CG1 4.47Å; I716-L951 HydrophobicContact CD1-CD1 4.25Å; I716-L951 HydrophobicContact CD1-CD2 4.5Å; I716-A1092 HydrophobicContact CG2-CB 4.36Å
717I82.2Confident79.5Confident1 Ų117.1 Ų17.11%0.0059%0.09CC..Hα-helixtrans-60.7-42.5180-63.2178000109.8F714 I719 M720 T721 I944 V990 S992F714-I717 HydrophobicContact CB-CD1 4.41Å; F714-I717 PolarHBondContact O-N 3.12Å; I717-I719 VanDerWaalsContact C-N 3.32Å; I717-I719 PolarHBondContact O-N 3.29Å; I717-M720 PolarHBondContact O-N 2.75Å; I717-M720 VanDerWaalsContact O-N 3.16Å; I717-T721 HydrophobicContact CG2-CG2 3.93Å; I717-T721 WeakPolarHBondContact O-CB 3.33Å; I717-T721 VanDerWaalsContact O-CG2 3.25Å; I717-T721 WeakPolarHBondContact O-CG2 3.39Å; I717-T721 PolarHBondContact O-N 3.36Å; I717-T721 PolarHBondContact O-OG1 3.16Å; I717-I944 HydrophobicContact CG2-CG2 4.35Å; I717-V990 HydrophobicContact CG2-CB 3.79Å; I717-V990 HydrophobicContact CG2-CG1 3.84Å; I717-S992 WeakPolarHBondContact CD1-OG 3.19Å
718S80.2Confident79.3Confident1 Ų114.3 Ų14.31%0.0078%0.078CC..Hα-helixtrans-61.8-39179.3-55.90000112.6Y678 A682 F714 A715 I716 T721 S722Y678-S718 WeakPolarHBondContact CB-OG 3.46Å; Y678-S718 VanDerWaalsContact O-CB 3.25Å; Y678-S718 WeakPolarHBondContact O-CB 3.26Å; Y678-S718 PolarHBondContact O-OG 3.11Å; A682-S718 VanDerWaalsContact CA-O 3.29Å; A682-S718 WeakPolarHBondContact CA-O 3.43Å; A682-S718 WeakPolarHBondContact CB-O 3.47Å; F714-S718 PolarHBondContact O-N 3.08Å; F714-S718 PolarHBondContact O-OG 3.08Å; A715-S718 PolarHBondContact O-N 3.33Å; I716-S718 VanDerWaalsContact C-N 3.27Å; I716-S718 PolarHBondContact O-N 3.4Å; S718-T721 WeakPolarHBondContact CA-OG1 3.28Å; S718-T721 PolarHBondContact O-OG1 3.03Å; S718-T721 VanDerWaalsContact O-OG1 3.11Å; S718-S722 WeakPolarHBondContact O-CB 3.35Å; S718-S722 PolarHBondContact O-N 3.38Å
719I72.4Confident79.2Confident47 Ų4715.1 Ų15.124%0.2418%0.083CC..Hα-helixtrans-69.9-40.9175.6-67.3168.3000110.9A715 I716 I717 S722 I793A715-I719 WeakPolarHBondContact O-CG1 3.5Å; A715-I719 PolarHBondContact O-N 3.19Å; I716-I719 PolarHBondContact O-N 3.42Å; I717-I719 VanDerWaalsContact C-N 3.32Å; I717-I719 PolarHBondContact O-N 3.29Å; I719-S722 WeakPolarHBondContact O-CB 3.3Å; I719-S722 PolarHBondContact O-N 3.47Å; I719-I793 HydrophobicContact CD1-CG1 4.3Å
720M78.3Confident78.9Confident26 Ų2618.6 Ų18.613%0.12811%0.108CC..Hα-helixtrans-63.4-47.3177.3-69.617973.200111.5I716 I717 S722 S723 I944 V947 L1093I716-M720 HydrophobicContact CG2-CG 4.4Å; I716-M720 HydrophobicContact CG2-SD 3.98Å; I716-M720 WeakPolarHBondContact O-CG 3.37Å; I716-M720 PolarHBondContact O-N 2.98Å; I717-M720 PolarHBondContact O-N 2.75Å; I717-M720 VanDerWaalsContact O-N 3.16Å; M720-S722 VanDerWaalsContact C-N 3.31Å; M720-S722 PolarHBondContact O-N 3.1Å; M720-S723 PolarHBondContact O-OG 3.21Å; M720-I944 HydrophobicContact CB-CD1 4.39Å; M720-I944 HydrophobicContact CB-CG1 4.12Å; M720-I944 HydrophobicContact CE-CG1 3.9Å; M720-V947 HydrophobicContact CE-CG2 4.21Å; M720-V947 HydrophobicContact SD-CB 4.45Å; M720-V947 HydrophobicContact SD-CG1 4.17Å; M720-V947 HydrophobicContact SD-CG2 4.37Å; M720-L1093 HydrophobicContact CE-CB 4.35Å; M720-L1093 HydrophobicContact CE-CD1 4.05Å
721T86Confident78.7Confident1 Ų122.6 Ų22.61%0.00613%0.128CC..Hα-helixtrans-68.8-28.9-179.759.10000112.1I717 S718 S723 V724 H725 L754 I944 V990I717-T721 HydrophobicContact CG2-CG2 3.93Å; I717-T721 WeakPolarHBondContact O-CB 3.33Å; I717-T721 VanDerWaalsContact O-CG2 3.25Å; I717-T721 WeakPolarHBondContact O-CG2 3.39Å; I717-T721 PolarHBondContact O-N 3.36Å; I717-T721 PolarHBondContact O-OG1 3.16Å; S718-T721 WeakPolarHBondContact CA-OG1 3.28Å; S718-T721 PolarHBondContact O-OG1 3.03Å; S718-T721 VanDerWaalsContact O-OG1 3.11Å; T721-S723 VanDerWaalsContact C-N 3.31Å; T721-S723 PolarHBondContact O-N 3.29Å; T721-V724 WeakPolarHBondContact O-CB 3.3Å; T721-V724 PolarHBondContact O-N 2.83Å; T721-H725 VanDerWaalsContact CB-CE1 3.49Å; T721-H725 WeakPolarHBondContact CB-CE1 3.25Å; T721-H725 PolarHBondContact O-CD2 2.95Å; T721-H725 PolarHBondContact O-N 3.29Å; T721-H725 PolarHBondContact O-ND1 3.46Å; T721-L754 HydrophobicContact CG2-CD2 3.81Å; T721-I944 HydrophobicContact CG2-CD1 3.9Å; T721-V990 HydrophobicContact CG2-CB 4.31Å; T721-V990 HydrophobicContact CG2-CG2 4.35Å
722S81.1Confident78.5Confident4 Ų424 Ų243%0.02814%0.136CC..Hα-helixtrans-53.3-46.6-179.9-169.90000112.6L681 S718 I719 M720 V724 H725 I726L681-S722 PolarHBondContact O-OG 3.48Å; S718-S722 WeakPolarHBondContact O-CB 3.35Å; S718-S722 PolarHBondContact O-N 3.38Å; I719-S722 WeakPolarHBondContact O-CB 3.3Å; I719-S722 PolarHBondContact O-N 3.47Å; M720-S722 VanDerWaalsContact C-N 3.31Å; M720-S722 PolarHBondContact O-N 3.1Å; S722-V724 VanDerWaalsContact C-N 3.31Å; S722-V724 PolarHBondContact O-N 3.15Å; S722-H725 PolarHBondContact O-N 2.99Å; S722-I726 VanDerWaalsContact O-CG1 3.31Å; S722-I726 WeakPolarHBondContact O-CG1 3.36Å; S722-I726 PolarHBondContact O-N 3.35Å
723S77.3Confident78.2Confident40 Ų4026 Ų2628%0.2815%0.149SC..Hα-helixtrans-67.1-33.9179.976.40000112.4M720 T721 N727M720-S723 PolarHBondContact O-OG 3.21Å; T721-S723 VanDerWaalsContact C-N 3.31Å; T721-S723 PolarHBondContact O-N 3.29Å; S723-N727 WeakPolarHBondContact O-CB 3.49Å; S723-N727 PolarHBondContact O-N 3.07Å; S723-N727 PolarHBondContact O-ND2 3.03Å
724V85.2Confident77.7Confident4 Ų430.8 Ų30.82%0.02418%0.181CC..Hα-helixtrans-69.9-43.3176.2-173.30000110.3T721 S722 I726 N727 G728 L754 I937 D940 I944T721-V724 WeakPolarHBondContact O-CB 3.3Å; T721-V724 PolarHBondContact O-N 2.83Å; S722-V724 VanDerWaalsContact C-N 3.31Å; S722-V724 PolarHBondContact O-N 3.15Å; V724-I726 PolarHBondContact O-N 3.25Å; V724-N727 PolarHBondContact O-N 3Å; V724-G728 WeakPolarHBondContact O-CA 3.48Å; V724-G728 PolarHBondContact O-N 3.35Å; V724-L754 HydrophobicContact CB-CD2 4.01Å; V724-L754 HydrophobicContact CG1-CD1 4.28Å; V724-L754 HydrophobicContact CG1-CD2 3.9Å; V724-L754 HydrophobicContact CG2-CD2 4.4Å; V724-I937 HydrophobicContact CG1-CB 4.16Å; V724-I937 HydrophobicContact CG1-CG2 3.67Å; V724-D940 HydrophobicContact CG2-CB 3.67Å; V724-I944 HydrophobicContact CG2-CD1 4.41Å
725H86.8Confident76.9Confident0 Ų036.9 Ų36.90%022%0.215CC..Hα-helixtrans-61.4-46.5178-59.4158.2000111.8A682 T721 S722 G728 V729 R747 A751A682-H725 PolarHBondContact O-ND1 3.35Å; T721-H725 VanDerWaalsContact CB-CE1 3.49Å; T721-H725 WeakPolarHBondContact CB-CE1 3.25Å; T721-H725 PolarHBondContact O-CD2 2.95Å; T721-H725 PolarHBondContact O-N 3.29Å; T721-H725 PolarHBondContact O-ND1 3.46Å; S722-H725 PolarHBondContact O-N 2.99Å; H725-G728 PolarHBondContact O-N 3.15Å; H725-V729 WeakPolarHBondContact O-CG2 3.41Å; H725-V729 PolarHBondContact O-N 2.98Å; H725-R747 HydrophobicContact CB-CB 4.44Å; H725-A751 WeakPolarHBondContact NE2-CB 3.31Å
726I79.7Confident76.4Confident57 Ų5742.3 Ų42.329%0.29224%0.238SC..Hα-helixtrans-63-45.7-179.4-66.3165.2000110.9S722 V724S722-I726 VanDerWaalsContact O-CG1 3.31Å; S722-I726 WeakPolarHBondContact O-CG1 3.36Å; S722-I726 PolarHBondContact O-N 3.35Å; V724-I726 PolarHBondContact O-N 3.25Å
727N79.9Confident75.7Confident69 Ų6949.4 Ų49.437%0.36928%0.276SS..Hα-helixtrans-78.6-23.7-178.7-65.8-55.8000113.4S723 V724 V729 S730 K810S723-N727 WeakPolarHBondContact O-CB 3.49Å; S723-N727 PolarHBondContact O-N 3.07Å; S723-N727 PolarHBondContact O-ND2 3.03Å; V724-N727 PolarHBondContact O-N 3Å; N727-V729 VanDerWaalsContact C-N 3.33Å; N727-S730 PolarHBondContact O-OG 3.25Å; N727-K810 WeakPolarHBondContact ND2-CE 3.34Å; N727-K810 PolarHBondContact ND2-NZ 2.67Å
728G79.9Confident74.5Confident2 Ų253 Ų532%0.02130%0.301CS..Hα-helixtrans-73.5-25.3179.300000113.1V724 H725 S730 L731 I732 V750V724-G728 WeakPolarHBondContact O-CA 3.48Å; V724-G728 PolarHBondContact O-N 3.35Å; H725-G728 PolarHBondContact O-N 3.15Å; G728-S730 VanDerWaalsContact C-N 3.3Å; G728-S730 PolarHBondContact O-N 2.88Å; G728-L731 WeakPolarHBondContact O-CB 3.37Å; G728-L731 PolarHBondContact O-N 2.95Å; G728-L731 VanDerWaalsContact O-N 3.08Å; G728-I732 PolarHBondContact O-N 3.44Å; G728-V750 VanDerWaalsContact C-CG2 3.48Å
729V81.5Confident73.5Confident20 Ų2056.8 Ų56.812%0.12132%0.324CS..Hα-helixtrans-61.3-40.9178.31730000111.3H725 N727 L731 I732 S733 E743 A746 R747 V750H725-V729 WeakPolarHBondContact O-CG2 3.41Å; H725-V729 PolarHBondContact O-N 2.98Å; N727-V729 VanDerWaalsContact C-N 3.33Å; V729-L731 PolarHBondContact O-N 3.25Å; V729-I732 PolarHBondContact O-N 3.4Å; V729-S733 PolarHBondContact O-N 3.14Å; V729-E743 HydrophobicContact CG1-CG 4.21Å; V729-A746 HydrophobicContact CG1-CB 4.05Å; V729-A746 HydrophobicContact CG2-CB 4.11Å; V729-R747 HydrophobicContact CG2-CB 4.29Å; V729-R747 HydrophobicContact CG2-CG 3.38Å; V729-V750 HydrophobicContact CG2-CG2 4.47Å
730S76.9Confident73.1Confident74 Ų7457.6 Ų57.652%0.51733%0.334SS..Hα-helixtrans-67.1-19.4178.359.40000113.1N727 G728N727-S730 PolarHBondContact O-OG 3.25Å; G728-S730 VanDerWaalsContact C-N 3.3Å; G728-S730 PolarHBondContact O-N 2.88Å
731L75.1Confident72.5Confident83 Ų8361.9 Ų61.944%0.43536%0.357SS..Hα-helixtrans-81.9-34.9176.2-59.6174.3000112.5G728 V729 I933 S936G728-L731 WeakPolarHBondContact O-CB 3.37Å; G728-L731 PolarHBondContact O-N 2.95Å; G728-L731 VanDerWaalsContact O-N 3.08Å; V729-L731 PolarHBondContact O-N 3.25Å; L731-I933 HydrophobicContact CB-CG2 4.4Å; L731-I933 HydrophobicContact CD1-CG2 3.75Å; L731-S936 VanDerWaalsContact CD1-OG 3.28Å; L731-S936 WeakPolarHBondContact CD1-OG 3.5Å
732I75Confident71.7Confident30 Ų3066.2 Ų66.215%0.15438%0.378CS..Hα-helixtrans-79.4-38.5178.8-60.7-179.6000111.4G728 V729 E749 V750 I933G728-I732 PolarHBondContact O-N 3.44Å; V729-I732 PolarHBondContact O-N 3.4Å; I732-E749 HydrophobicContact CD1-CB 4.22Å; I732-V750 HydrophobicContact CD1-CG2 3.46Å; I732-V750 VanDerWaalsContact CD1-CG2 3.46Å; I732-V750 HydrophobicContact CG1-CG2 4.3Å; I732-I933 HydrophobicContact CD1-CD1 3.44Å; I732-I933 VanDerWaalsContact CD1-CD1 3.44Å; I732-I933 HydrophobicContact CG1-CD1 3.26Å; I732-I933 HydrophobicContact CG1-CG1 4.14Å
733S70.9Confident71.4Confident41 Ų4169 Ų6929%0.28739%0.39SS..  trans-142.877.9-168.4-880000111.3V729 N735V729-S733 PolarHBondContact O-N 3.14Å; S733-N735 VanDerWaalsContact C-N 3.26Å; S733-N735 PolarHBondContact O-N 2.8Å
734P65.4Low71.2Confident103 Ų10368.4 Ų68.467%0.66938%0.384SS*.THydrogen-bonded Turntrans-68.3-17.1-174.924.2-32.8000114.8
735N59.4Low70.8Confident157 Ų15771.2 Ų71.284%0.8440%0.404SS*.THydrogen-bonded Turntrans-113.119.2-170.1-74.6-9000115.5S733S733-N735 VanDerWaalsContact C-N 3.26Å; S733-N735 PolarHBondContact O-N 2.8Å
736F60.4Low70.5Confident118 Ų11871.8 Ų71.852%0.51841%0.408SS..  trans-86.4120-178.5-103.4-86.3000113.4S738 Q742F736-S738 PolarHBondContact O-N 3.22Å; F736-S738 VanDerWaalsContact O-N 3.15Å; F736-Q742 HydrophobicContact CE1-CB 4.48Å; F736-Q742 HydrophobicContact CE1-CG 4.47Å
737N56.5Low70.8Confident160 Ų16070.9 Ų70.986%0.85640%0.401SS*.  trans-74.594.4158.2-74.8-14.2000107.5T739N737-T739 PolarHBondContact O-N 3.3Å; N737-T739 VanDerWaalsContact O-N 3.14Å
738S56.2Low70.9Confident76 Ų7667.7 Ų67.753%0.53139%0.385SS..  trans-65.9110.8-162.844.50000113.7F736F736-S738 PolarHBondContact O-N 3.22Å; F736-S738 VanDerWaalsContact O-N 3.15Å
739T60.1Low71.1Confident80 Ų8070.2 Ų70.249%0.49140%0.396SS..  trans-68.9138.6147.461.80000107.9N737 D741 Q742 E743N737-T739 PolarHBondContact O-N 3.3Å; N737-T739 VanDerWaalsContact O-N 3.14Å; T739-D741 PolarHBondContact O-N 3.28Å; T739-Q742 PolarHBondContact O-N 3.42Å; T739-Q742 WeakPolarHBondContact OG1-CG 3.28Å; T739-Q742 PolarHBondContact OG1-OE1 3.05Å; T739-E743 PolarHBondContact O-N 2.64Å
740S64.3Low71.5Confident65 Ų6569.3 Ų69.346%0.45539%0.39SS..Hα-helixtrans-62.5-15.7-170.164.10000115.1
741D65.5Low72.1Confident115 Ų11565.8 Ų65.862%0.61537%0.366SS*.Hα-helixtrans-90.2-34.3-179.6-69.7-19.1000112.4T739 L744 S745T739-D741 PolarHBondContact O-N 3.28Å; D741-L744 PolarHBondContact O-N 3.35Å; D741-S745 PolarHBondContact O-N 2.96Å; D741-S745 VanDerWaalsContact O-N 3.14Å
742Q69Low72.8Confident93 Ų9361.9 Ų61.944%0.43535%0.346SS..Hα-helixtrans-68.4-42.3176.2-77.5173.5-32.500111.9F736 T739 L744 S745 A746F736-Q742 HydrophobicContact CE1-CB 4.48Å; F736-Q742 HydrophobicContact CE1-CG 4.47Å; T739-Q742 PolarHBondContact O-N 3.42Å; T739-Q742 WeakPolarHBondContact OG1-CG 3.28Å; T739-Q742 PolarHBondContact OG1-OE1 3.05Å; Q742-L744 PolarHBondContact O-N 3.17Å; Q742-S745 PolarHBondContact O-N 3.43Å; Q742-A746 PolarHBondContact O-N 2.81Å
743E74.3Confident73.5Confident62 Ų6260.5 Ų60.529%0.2934%0.338SS..Hα-helixtrans-58.2-38.3174.3-166.9-168.3149.100111.1V729 T739 A746 R747V729-E743 HydrophobicContact CG1-CG 4.21Å; T739-E743 PolarHBondContact O-N 2.64Å; E743-A746 PolarHBondContact O-N 3.22Å; E743-R747 WeakPolarHBondContact O-CG 3.22Å; E743-R747 PolarHBondContact O-N 3.32Å; E743-R747 VanDerWaalsContact O-N 3.09Å; E743-R747 IonicContact OE1-CZ 3.39Å; E743-R747 IonicContact OE1-NE 2.87Å; E743-R747 PolarHBondContact OE1-NE 2.64Å; E743-R747 IonicContact OE1-NH2 3.02Å; E743-R747 PolarHBondContact OE1-NH2 3.12Å
744L72.8Confident74.6Confident28 Ų2858.5 Ų58.515%0.14733%0.325CS..Hα-helixtrans-70.1-32.5-179.3-143.277.5000112.7H685 D741 Q742 G748H685-L744 HydrophobicContact CB-CD2 3.95Å; D741-L744 PolarHBondContact O-N 3.35Å; Q742-L744 PolarHBondContact O-N 3.17Å; L744-G748 PolarHBondContact O-N 3.49Å
745S77.3Confident75.9Confident62 Ų6253.6 Ų53.643%0.43429%0.293SS..Hα-helixtrans-68.3-46.8173.1-163.40000111.1D741 Q742 R747 G748 E749D741-S745 PolarHBondContact O-N 2.96Å; D741-S745 VanDerWaalsContact O-N 3.14Å; Q742-S745 PolarHBondContact O-N 3.43Å; S745-R747 VanDerWaalsContact C-N 3.26Å; S745-R747 PolarHBondContact O-N 3.3Å; S745-G748 WeakPolarHBondContact O-CA 3.36Å; S745-G748 PolarHBondContact O-N 3.45Å; S745-E749 PolarHBondContact O-N 3.1Å
746A80.9Confident77.6Confident12 Ų1248.3 Ų48.310%0.09926%0.262CS..Hα-helixtrans-59.3-36.7177.600000112.2V729 Q742 E743 G748 E749 V750V729-A746 HydrophobicContact CG1-CB 4.05Å; V729-A746 HydrophobicContact CG2-CB 4.11Å; Q742-A746 PolarHBondContact O-N 2.81Å; E743-A746 PolarHBondContact O-N 3.22Å; A746-G748 VanDerWaalsContact C-N 3.26Å; A746-G748 PolarHBondContact O-N 3.05Å; A746-E749 WeakPolarHBondContact O-CB 3.25Å; A746-E749 PolarHBondContact O-N 3.05Å; A746-V750 WeakPolarHBondContact O-CG2 3.11Å; A746-V750 PolarHBondContact O-N 3.43Å
747R84.7Confident79.2Confident39 Ų3943.3 Ų43.315%0.14724%0.241CC..Hα-helixtrans-61.6-34.1172.9-68.4177.1-175-164.8-1.6112.7G683 L684 H725 V729 E743 S745 V750 A751G683-R747 WeakPolarHBondContact O-CD 3.39Å; G683-R747 PolarHBondContact O-NH1 3.37Å; G683-R747 VanDerWaalsContact O-NH1 3.12Å; L684-R747 HydrophobicContact CD2-CB 3.75Å; L684-R747 VanDerWaalsContact CD2-O 3.3Å; L684-R747 WeakPolarHBondContact CD2-O 3.37Å; H725-R747 HydrophobicContact CB-CB 4.44Å; V729-R747 HydrophobicContact CG2-CB 4.29Å; V729-R747 HydrophobicContact CG2-CG 3.38Å; E743-R747 WeakPolarHBondContact O-CG 3.22Å; E743-R747 PolarHBondContact O-N 3.32Å; E743-R747 VanDerWaalsContact O-N 3.09Å; E743-R747 IonicContact OE1-CZ 3.39Å; E743-R747 IonicContact OE1-NE 2.87Å; E743-R747 PolarHBondContact OE1-NE 2.64Å; E743-R747 IonicContact OE1-NH2 3.02Å; E743-R747 PolarHBondContact OE1-NH2 3.12Å; S745-R747 VanDerWaalsContact C-N 3.26Å; S745-R747 PolarHBondContact O-N 3.3Å; R747-V750 PolarHBondContact O-N 2.87Å; R747-A751 WeakPolarHBondContact O-CB 3.09Å; R747-A751 PolarHBondContact O-N 3.17Å
748G83.1Confident81Confident2 Ų235.7 Ų35.72%0.02120%0.2CC..Hα-helixtrans-63.5-40.2173.800000112.6L744 S745 A746 A751 S752L744-G748 PolarHBondContact O-N 3.49Å; S745-G748 WeakPolarHBondContact O-CA 3.36Å; S745-G748 PolarHBondContact O-N 3.45Å; A746-G748 VanDerWaalsContact C-N 3.26Å; A746-G748 PolarHBondContact O-N 3.05Å; G748-A751 WeakPolarHBondContact O-CB 3.46Å; G748-A751 PolarHBondContact O-N 2.89Å; G748-S752 PolarHBondContact O-N 3.26Å
749E84.7Confident82.8Confident55 Ų5532.1 Ų32.126%0.25718%0.175SC..Hα-helixtrans-68.4-38.8175.4-63.3176.8-148.500112.5I732 S745 A746 A751 S752 A753 H930I732-E749 HydrophobicContact CD1-CB 4.22Å; S745-E749 PolarHBondContact O-N 3.1Å; A746-E749 WeakPolarHBondContact O-CB 3.25Å; A746-E749 PolarHBondContact O-N 3.05Å; E749-A751 VanDerWaalsContact C-N 3.27Å; E749-A751 PolarHBondContact O-N 3.11Å; E749-S752 PolarHBondContact O-N 3.47Å; E749-S752 PolarHBondContact O-OG 3.45Å; E749-A753 PolarHBondContact O-N 3.36Å; E749-A753 VanDerWaalsContact O-N 3.11Å; E749-H930 IonicContact OE2-CD2 2.88Å; E749-H930 PolarHBondContact OE2-CD2 2.77Å; E749-H930 IonicContact OE2-CE1 2.65Å; E749-H930 IonicContact OE2-NE2 2.6Å; E749-H930 PolarHBondContact OE2-NE2 2.87Å
750V88.6Confident84.5Confident0 Ų031 Ų310%017%0.168CC..Hα-helixtrans-62.7-39171.4-178.80000110.5G728 V729 I732 A746 R747 A753 L754G728-V750 VanDerWaalsContact C-CG2 3.48Å; V729-V750 HydrophobicContact CG2-CG2 4.47Å; I732-V750 HydrophobicContact CD1-CG2 3.46Å; I732-V750 VanDerWaalsContact CD1-CG2 3.46Å; I732-V750 HydrophobicContact CG1-CG2 4.3Å; A746-V750 WeakPolarHBondContact O-CG2 3.11Å; A746-V750 PolarHBondContact O-N 3.43Å; R747-V750 PolarHBondContact O-N 2.87Å; V750-A753 PolarHBondContact O-N 2.98Å; V750-L754 WeakPolarHBondContact O-CB 3.37Å; V750-L754 PolarHBondContact O-N 3Å
751A89.6Confident85.9Confident0 Ų028.3 Ų28.30%015%0.149CC..Hα-helixtrans-65.3-39178.900000112.4L684 H725 R747 G748 E749 T755L684-A751 HydrophobicContact CD1-CB 3.82Å; L684-A751 HydrophobicContact CD2-CB 4.04Å; H725-A751 WeakPolarHBondContact NE2-CB 3.31Å; R747-A751 WeakPolarHBondContact O-CB 3.09Å; R747-A751 PolarHBondContact O-N 3.17Å; G748-A751 WeakPolarHBondContact O-CB 3.46Å; G748-A751 PolarHBondContact O-N 2.89Å; E749-A751 VanDerWaalsContact C-N 3.27Å; E749-A751 PolarHBondContact O-N 3.11Å; A751-T755 VanDerWaalsContact O-CB 3.28Å; A751-T755 WeakPolarHBondContact O-CB 3.49Å; A751-T755 PolarHBondContact O-N 3.33Å; A751-T755 PolarHBondContact O-OG1 2.95Å
752S89.6Confident87.3Confident2 Ų222.9 Ų22.91%0.01412%0.119CC..Hα-helixtrans-65.6-44.5174.565.40000111.3G748 E749 T755 F756 S984G748-S752 PolarHBondContact O-N 3.26Å; E749-S752 PolarHBondContact O-N 3.47Å; E749-S752 PolarHBondContact O-OG 3.45Å; S752-T755 PolarHBondContact O-N 3.44Å; S752-F756 WeakPolarHBondContact O-CB 3.48Å; S752-F756 PolarHBondContact O-N 3.38Å; S752-S984 VanDerWaalsContact CB-O 3.28Å; S752-S984 WeakPolarHBondContact CB-O 3.43Å; S752-S984 WeakPolarHBondContact O-CB 3.36Å
753A90.9Very high88.4Confident0 Ų020.4 Ų20.40%011%0.109CC..Hα-helixtrans-58.9-48.4175.300000112.5E749 V750 T755 F756 L757 P929 F934E749-A753 PolarHBondContact O-N 3.36Å; E749-A753 VanDerWaalsContact O-N 3.11Å; V750-A753 PolarHBondContact O-N 2.98Å; A753-T755 PolarHBondContact O-N 3.31Å; A753-F756 PolarHBondContact O-N 2.93Å; A753-L757 PolarHBondContact O-N 3.37Å; A753-L757 VanDerWaalsContact O-N 3.07Å; A753-P929 HydrophobicContact CB-CB 4.41Å; A753-F934 HydrophobicContact CB-CE1 4.01Å
754L93Very high89.3Confident0 Ų019.5 Ų19.50%011%0.109CC..Hα-helixtrans-61.4-43.7177.1179.759.7000111.7T721 V724 V750 L757 V758 I937 A941 I944 V990T721-L754 HydrophobicContact CG2-CD2 3.81Å; V724-L754 HydrophobicContact CB-CD2 4.01Å; V724-L754 HydrophobicContact CG1-CD1 4.28Å; V724-L754 HydrophobicContact CG1-CD2 3.9Å; V724-L754 HydrophobicContact CG2-CD2 4.4Å; V750-L754 WeakPolarHBondContact O-CB 3.37Å; V750-L754 PolarHBondContact O-N 3Å; L754-L757 PolarHBondContact O-N 3.5Å; L754-V758 HydrophobicContact CD1-CG2 4.29Å; L754-V758 WeakPolarHBondContact O-CB 3.43Å; L754-V758 VanDerWaalsContact O-CG2 3.29Å; L754-V758 WeakPolarHBondContact O-CG2 3.22Å; L754-V758 PolarHBondContact O-N 3.47Å; L754-I937 HydrophobicContact CB-CD1 4.3Å; L754-I937 HydrophobicContact CD1-CD1 4.3Å; L754-A941 HydrophobicContact CD1-CB 3.79Å; L754-I944 HydrophobicContact CD1-CD1 4.33Å; L754-I944 HydrophobicContact CD2-CD1 4.06Å; L754-V990 HydrophobicContact CG-CG2 4.36Å
755T93.3Very high90.2Very high0 Ų020 Ų200%011%0.111CC..Hα-helixtrans-67-37.7-179.3-55.10000111.7A751 S752 A753 G759 H980 C988 Q989 V990A751-T755 VanDerWaalsContact O-CB 3.28Å; A751-T755 WeakPolarHBondContact O-CB 3.49Å; A751-T755 PolarHBondContact O-N 3.33Å; A751-T755 PolarHBondContact O-OG1 2.95Å; S752-T755 PolarHBondContact O-N 3.44Å; A753-T755 PolarHBondContact O-N 3.31Å; T755-G759 PolarHBondContact O-N 2.87Å; T755-H980 HydrophobicContact CG2-CB 3.97Å; T755-C988 PolarHBondContact OG1-O 3.21Å; T755-C988 VanDerWaalsContact OG1-O 3.05Å; T755-Q989 VanDerWaalsContact OG1-C 3.31Å; T755-Q989 WeakPolarHBondContact OG1-CA 3.16Å; T755-V990 HydrophobicContact CG2-CG2 4.35Å; T755-V990 PolarHBondContact OG1-N 3.37Å; T755-V990 VanDerWaalsContact OG1-N 3.1Å
756F94.2Very high90.6Very high46 Ų4617 Ų1720%0.2029%0.09CC..Hα-helixtrans-62.9-45.4173.9-175.6-85.3000111.7S752 A753 G759 T760 P929 F931 F934 L981S752-F756 WeakPolarHBondContact O-CB 3.48Å; S752-F756 PolarHBondContact O-N 3.38Å; A753-F756 PolarHBondContact O-N 2.93Å; F756-G759 PolarHBondContact O-N 3.4Å; F756-T760 WeakPolarHBondContact CE1-OG1 3.27Å; F756-T760 PolarHBondContact O-N 2.94Å; F756-T760 PolarHBondContact O-OG1 3.22Å; F756-P929 HydrophobicContact CB-CB 3.99Å; F756-P929 HydrophobicContact CB-CG 4.03Å; F756-P929 HydrophobicContact CD1-CG 4.24Å; F756-P929 HydrophobicContact CD2-CG 3.75Å; F756-P929 HydrophobicContact CE2-CG 4.26Å; F756-P929 HydrophobicContact CG-CB 4.22Å; F756-P929 HydrophobicContact CG-CG 3.73Å; F756-F931 HydrophobicContact CD1-CE1 4.37Å; F756-F931 AromaticContact CE1-CE1 3.83Å; F756-F931 HydrophobicContact CE1-CE1 3.83Å; F756-F931 HydrophobicContact CZ-CE1 4.22Å; F756-F934 HydrophobicContact CB-CZ 4.43Å; F756-F934 AromaticContact CD1-CE2 3.69Å; F756-F934 HydrophobicContact CD1-CE2 3.69Å; F756-F934 AromaticContact CD1-CZ 3.5Å; F756-F934 HydrophobicContact CD1-CZ 3.5Å; F756-F934 VanDerWaalsContact CD1-CZ 3.5Å; F756-F934 HydrophobicContact CE1-CE2 4Å; F756-F934 HydrophobicContact CE1-CZ 4.17Å; F756-F934 HydrophobicContact CG-CZ 4.3Å; F756-L981 HydrophobicContact CD1-CD2 4.41Å; F756-L981 HydrophobicContact CD2-CD2 3.74Å; F756-L981 HydrophobicContact CE1-CD2 4.27Å; F756-L981 HydrophobicContact CE2-CD2 3.57Å; F756-L981 HydrophobicContact CG-CD2 4.18Å; F756-L981 HydrophobicContact CZ-CD2 3.85Å
757L94.2Very high90.8Very high13 Ų1322.1 Ų22.17%0.06812%0.115CC..Hα-helixtrans-65.8-43.8179.7-172.857.5000111.7A753 L754 G759 T760 I761 F934 I937 F938 A941A753-L757 PolarHBondContact O-N 3.37Å; A753-L757 VanDerWaalsContact O-N 3.07Å; L754-L757 PolarHBondContact O-N 3.5Å; L757-G759 VanDerWaalsContact C-N 3.33Å; L757-G759 PolarHBondContact O-N 2.95Å; L757-T760 WeakPolarHBondContact O-CB 3.45Å; L757-T760 PolarHBondContact O-N 3.41Å; L757-I761 HydrophobicContact CG-CD1 4.24Å; L757-I761 WeakPolarHBondContact O-CG1 3.35Å; L757-I761 PolarHBondContact O-N 2.73Å; L757-F934 HydrophobicContact CD1-CD2 3.9Å; L757-F934 HydrophobicContact CD1-CE2 4.29Å; L757-F934 HydrophobicContact CD1-CG 4.33Å; L757-F934 HydrophobicContact CD2-CB 4.2Å; L757-F934 HydrophobicContact CD2-CG 4.23Å; L757-I937 HydrophobicContact CD2-CD1 4.43Å; L757-I937 HydrophobicContact CD2-CG1 3.93Å; L757-F938 HydrophobicContact CD1-CD2 4.28Å; L757-F938 HydrophobicContact CD2-CB 4.48Å; L757-F938 HydrophobicContact CD2-CD2 4.27Å; L757-A941 HydrophobicContact CB-CB 4.2Å; L757-A941 HydrophobicContact CD2-CB 3.64Å; L757-A941 HydrophobicContact CG-CB 3.77Å
758V94.8Very high90.9Very high0 Ų026.1 Ų26.10%014%0.138CC..Hα-helixtrans-57.6-45.6173166.50000111.3L754 T760 I761 Q762 A941 I944 A945 V990L754-V758 HydrophobicContact CD1-CG2 4.29Å; L754-V758 WeakPolarHBondContact O-CB 3.43Å; L754-V758 VanDerWaalsContact O-CG2 3.29Å; L754-V758 WeakPolarHBondContact O-CG2 3.22Å; L754-V758 PolarHBondContact O-N 3.47Å; V758-T760 VanDerWaalsContact C-N 3.34Å; V758-T760 PolarHBondContact O-N 3.21Å; V758-I761 PolarHBondContact O-N 3.26Å; V758-Q762 HydrophobicContact CG1-CG 4.49Å; V758-Q762 WeakPolarHBondContact O-CB 3.47Å; V758-Q762 WeakPolarHBondContact O-CG 3.25Å; V758-Q762 PolarHBondContact O-N 2.82Å; V758-A941 HydrophobicContact CG2-CB 4.02Å; V758-A941 WeakPolarHBondContact CG2-O 3.46Å; V758-I944 HydrophobicContact CG2-CB 4.22Å; V758-I944 HydrophobicContact CG2-CG2 3.96Å; V758-A945 HydrophobicContact CG1-CB 3.98Å; V758-V990 HydrophobicContact CB-CG2 4.21Å; V758-V990 HydrophobicContact CG1-CG1 4Å; V758-V990 HydrophobicContact CG1-CG2 4.36Å; V758-V990 HydrophobicContact CG2-CG2 3.98Å
759G95Very high90.9Very high0 Ų033.8 Ų33.80%017%0.167CC..Hα-helixtrans-63.5-38.8177.400000112.9T755 F756 L757 Q762 L763 G977T755-G759 PolarHBondContact O-N 2.87Å; F756-G759 PolarHBondContact O-N 3.4Å; L757-G759 VanDerWaalsContact C-N 3.33Å; L757-G759 PolarHBondContact O-N 2.95Å; G759-Q762 PolarHBondContact O-N 3.32Å; G759-L763 VanDerWaalsContact O-CB 3.3Å; G759-L763 WeakPolarHBondContact O-CB 3.49Å; G759-L763 PolarHBondContact O-N 3.23Å; G759-G977 VanDerWaalsContact O-CA 3.25Å; G759-G977 WeakPolarHBondContact O-CA 3.36Å
760T94.9Very high90.5Very high56 Ų5633.6 Ų33.634%0.34417%0.167SC..Hα-helixtrans-63.2-46.8175.6-54.80000111.2F756 L757 V758 L763 S764 L981F756-T760 WeakPolarHBondContact CE1-OG1 3.27Å; F756-T760 PolarHBondContact O-N 2.94Å; F756-T760 PolarHBondContact O-OG1 3.22Å; L757-T760 WeakPolarHBondContact O-CB 3.45Å; L757-T760 PolarHBondContact O-N 3.41Å; V758-T760 VanDerWaalsContact C-N 3.34Å; V758-T760 PolarHBondContact O-N 3.21Å; T760-L763 PolarHBondContact O-N 3.02Å; T760-S764 WeakPolarHBondContact O-CB 3.5Å; T760-S764 PolarHBondContact O-N 3.3Å; T760-S764 PolarHBondContact O-OG 2.99Å; T760-L981 WeakPolarHBondContact OG1-CD2 3.42Å
761I94.1Very high89.8Confident10 Ų1033.8 Ų33.85%0.05117%0.169CC..Hα-helixtrans-61.8-48.3177.6-66.8168.9000110.2L757 V758 L763 S764 F765 F938 A941 L942 A945L757-I761 HydrophobicContact CG-CD1 4.24Å; L757-I761 WeakPolarHBondContact O-CG1 3.35Å; L757-I761 PolarHBondContact O-N 2.73Å; V758-I761 PolarHBondContact O-N 3.26Å; I761-L763 PolarHBondContact O-N 3.39Å; I761-S764 WeakPolarHBondContact CA-OG 3.44Å; I761-S764 PolarHBondContact O-N 3.1Å; I761-S764 PolarHBondContact O-OG 2.89Å; I761-F765 HydrophobicContact CG2-CE1 4.22Å; I761-F765 HydrophobicContact CG2-CE2 4.45Å; I761-F765 HydrophobicContact CG2-CZ 4.19Å; I761-F765 PolarHBondContact O-N 3.33Å; I761-F938 HydrophobicContact CD1-CD2 4.37Å; I761-F938 HydrophobicContact CD1-CE2 4Å; I761-F938 HydrophobicContact CG1-CE2 4.35Å; I761-A941 HydrophobicContact CD1-CB 4.11Å; I761-L942 HydrophobicContact CD1-CB 4.19Å; I761-L942 HydrophobicContact CG2-CD1 3.77Å; I761-A945 HydrophobicContact CB-CB 4.24Å; I761-A945 HydrophobicContact CG2-CB 3.9Å
762Q93.8Very high88.9Confident0 Ų036.7 Ų36.70%019%0.188CC..Hα-helixtrans-61.7-43.7178.8-75.2175.8-15.300112.7V758 G759 S764 F765 G766 A945 W973 Y976 H980V758-Q762 HydrophobicContact CG1-CG 4.49Å; V758-Q762 WeakPolarHBondContact O-CB 3.47Å; V758-Q762 WeakPolarHBondContact O-CG 3.25Å; V758-Q762 PolarHBondContact O-N 2.82Å; G759-Q762 PolarHBondContact O-N 3.32Å; Q762-S764 VanDerWaalsContact C-N 3.34Å; Q762-S764 PolarHBondContact O-N 3.28Å; Q762-F765 PolarHBondContact O-N 2.98Å; Q762-G766 PolarHBondContact O-N 2.91Å; Q762-A945 HydrophobicContact CG-CB 3.93Å; Q762-A945 PolarHBondContact NE2-O 3.34Å; Q762-W973 HydrophobicContact CB-CE3 4.01Å; Q762-W973 HydrophobicContact CB-CZ3 4.32Å; Q762-W973 HydrophobicContact CG-CE3 3.9Å; Q762-W973 HydrophobicContact CG-CZ3 3.76Å; Q762-Y976 PolarHBondContact OE1-O 3.46Å; Q762-H980 PolarHBondContact OE1-ND1 3.22Å
763L93.7Very high87.9Confident42 Ų4240.1 Ų40.122%0.2221%0.206CC..Hα-helixtrans-63.8-42.1176.5-176.559.9000110.8G759 T760 I761 F765 G766 L767 R974 I978 L981G759-L763 VanDerWaalsContact O-CB 3.3Å; G759-L763 WeakPolarHBondContact O-CB 3.49Å; G759-L763 PolarHBondContact O-N 3.23Å; T760-L763 PolarHBondContact O-N 3.02Å; I761-L763 PolarHBondContact O-N 3.39Å; L763-F765 VanDerWaalsContact C-N 3.33Å; L763-F765 PolarHBondContact O-N 2.94Å; L763-G766 CarbonylContact O-C 3.22Å; L763-G766 PolarHBondContact O-N 3.45Å; L763-G766 VanDerWaalsContact O-N 3.17Å; L763-L767 HydrophobicContact CD1-CG 4.34Å; L763-L767 HydrophobicContact CG-CD1 4.07Å; L763-L767 HydrophobicContact CG-CG 4.35Å; L763-L767 VanDerWaalsContact O-CG 3.3Å; L763-L767 WeakPolarHBondContact O-CG 3.11Å; L763-L767 PolarHBondContact O-N 2.9Å; L763-R974 HydrophobicContact CD1-CB 4.44Å; L763-R974 HydrophobicContact CD1-CG 4.42Å; L763-I978 HydrophobicContact CD1-CG1 4.13Å; L763-L981 HydrophobicContact CB-CD1 4.08Å; L763-L981 HydrophobicContact CD2-CD1 3.47Å; L763-L981 VanDerWaalsContact CD2-CD1 3.47Å; L763-L981 HydrophobicContact CG-CD1 4.41Å
764S92.9Very high86.7Confident42 Ų4240.2 Ų40.229%0.29421%0.207SC..Hα-helixtrans-61.1-41.3177.172.10000111.9T760 I761 Q762 G766 L767 L768T760-S764 WeakPolarHBondContact O-CB 3.5Å; T760-S764 PolarHBondContact O-N 3.3Å; T760-S764 PolarHBondContact O-OG 2.99Å; I761-S764 WeakPolarHBondContact CA-OG 3.44Å; I761-S764 PolarHBondContact O-N 3.1Å; I761-S764 PolarHBondContact O-OG 2.89Å; Q762-S764 VanDerWaalsContact C-N 3.34Å; Q762-S764 PolarHBondContact O-N 3.28Å; S764-G766 VanDerWaalsContact C-N 3.33Å; S764-G766 PolarHBondContact O-N 3.02Å; S764-L767 PolarHBondContact O-N 3.23Å; S764-L768 WeakPolarHBondContact O-CB 3.49Å; S764-L768 VanDerWaalsContact O-CG 3.25Å; S764-L768 WeakPolarHBondContact O-CG 3.11Å; S764-L768 PolarHBondContact O-N 3.49Å
765F90.1Very high85.5Confident39 Ų3947.5 Ų47.517%0.17124%0.241CC..Hα-helixtrans-65.1-37.8175.7-76.412.4000111.9I761 Q762 L763 R769 L770 L942 V946 W973I761-F765 HydrophobicContact CG2-CE1 4.22Å; I761-F765 HydrophobicContact CG2-CE2 4.45Å; I761-F765 HydrophobicContact CG2-CZ 4.19Å; I761-F765 PolarHBondContact O-N 3.33Å; Q762-F765 PolarHBondContact O-N 2.98Å; L763-F765 VanDerWaalsContact C-N 3.33Å; L763-F765 PolarHBondContact O-N 2.94Å; F765-R769 PolarHBondContact O-N 2.8Å; F765-L770 HydrophobicContact CB-CB 4.28Å; F765-L770 HydrophobicContact CB-CD1 4.22Å; F765-L770 HydrophobicContact CD1-CD1 3.68Å; F765-L770 HydrophobicContact CD2-CD1 4.44Å; F765-L770 HydrophobicContact CE1-CD1 4.1Å; F765-L770 HydrophobicContact CG-CD1 3.87Å; F765-L770 PolarHBondContact O-N 3.33Å; F765-L942 HydrophobicContact CE2-CD1 4.48Å; F765-L942 HydrophobicContact CZ-CD1 3.88Å; F765-V946 HydrophobicContact CE2-CG2 4.27Å; F765-W973 HydrophobicContact CB-CD2 3.9Å; F765-W973 HydrophobicContact CB-CE3 3.94Å; F765-W973 HydrophobicContact CB-CG 4.31Å; F765-W973 HydrophobicContact CB-CZ3 4.31Å; F765-W973 HydrophobicContact CD2-CE3 4.26Å; F765-W973 AromaticContact CD2-CH2 3.58Å; F765-W973 HydrophobicContact CD2-CH2 3.58Å; F765-W973 AromaticContact CD2-CZ2 3.84Å; F765-W973 HydrophobicContact CD2-CZ2 3.84Å; F765-W973 AromaticContact CD2-CZ3 3.78Å; F765-W973 HydrophobicContact CD2-CZ3 3.78Å; F765-W973 HydrophobicContact CE2-CH2 4.24Å; F765-W973 HydrophobicContact CG-CZ3 4.47Å
766G86.6Confident84.3Confident0 Ų052.4 Ų52.40%026%0.26CS..Hα-helixtrans-71.6-27.8175.700000114.5Q762 L763 S764 W973 R974Q762-G766 PolarHBondContact O-N 2.91Å; L763-G766 CarbonylContact O-C 3.22Å; L763-G766 PolarHBondContact O-N 3.45Å; L763-G766 VanDerWaalsContact O-N 3.17Å; S764-G766 VanDerWaalsContact C-N 3.33Å; S764-G766 PolarHBondContact O-N 3.02Å; G766-W973 VanDerWaalsContact CA-CB 3.43Å; G766-R974 PolarHBondContact O-NH1 3.25Å; G766-R974 VanDerWaalsContact O-NH1 3.1Å
767L85.1Confident83.1Confident118 Ų11851 Ų5162%0.61825%0.254SS*.Hα-helixtrans-78.3-38.9173.7-70.8173.7000111.8L763 S764 R769L763-L767 HydrophobicContact CD1-CG 4.34Å; L763-L767 HydrophobicContact CG-CD1 4.07Å; L763-L767 HydrophobicContact CG-CG 4.35Å; L763-L767 VanDerWaalsContact O-CG 3.3Å; L763-L767 WeakPolarHBondContact O-CG 3.11Å; L763-L767 PolarHBondContact O-N 2.9Å; S764-L767 PolarHBondContact O-N 3.23Å; L767-R769 PolarHBondContact O-N 2.89Å
768L86.9Confident82.2Confident123 Ų12352 Ų5264%0.64426%0.262SS*.THydrogen-bonded Turntrans-73.2-1.8173.9-67.6174.2000113.4S764 L770S764-L768 WeakPolarHBondContact O-CB 3.49Å; S764-L768 VanDerWaalsContact O-CG 3.25Å; S764-L768 WeakPolarHBondContact O-CG 3.11Å; S764-L768 PolarHBondContact O-N 3.49Å; L768-L770 VanDerWaalsContact C-N 3.29Å; L768-L770 HydrophobicContact CB-CD1 4.21Å; L768-L770 HydrophobicContact CB-CG 3.9Å; L768-L770 HydrophobicContact CD1-CD1 4.3Å; L768-L770 PolarHBondContact O-N 3.07Å
769R82.8Confident81.3Confident164 Ų16457 Ų5762%0.61929%0.289SS*.THydrogen-bonded Turntrans55.641.8-177.6-58.1-177.1177.7-179.3-2.2113.1F765 L767 G771 D970F765-R769 PolarHBondContact O-N 2.8Å; L767-R769 PolarHBondContact O-N 2.89Å; R769-G771 PolarHBondContact O-N 3.04Å; R769-D970 VanDerWaalsContact CA-OD1 3.22Å; R769-D970 WeakPolarHBondContact CA-OD1 3.28Å
770L77.1Confident80.8Confident51 Ų5157.8 Ų57.827%0.26729%0.294SS..G310 helixtrans-8017.3176.1-62.6178.9000112.8F765 L768 C772 L773F765-L770 HydrophobicContact CB-CB 4.28Å; F765-L770 HydrophobicContact CB-CD1 4.22Å; F765-L770 HydrophobicContact CD1-CD1 3.68Å; F765-L770 HydrophobicContact CD2-CD1 4.44Å; F765-L770 HydrophobicContact CE1-CD1 4.1Å; F765-L770 HydrophobicContact CG-CD1 3.87Å; F765-L770 PolarHBondContact O-N 3.33Å; L768-L770 VanDerWaalsContact C-N 3.29Å; L768-L770 HydrophobicContact CB-CD1 4.21Å; L768-L770 HydrophobicContact CB-CG 3.9Å; L768-L770 HydrophobicContact CD1-CD1 4.3Å; L768-L770 PolarHBondContact O-N 3.07Å; L770-C772 PolarHBondContact O-N 3.09Å; L770-L773 HydrophobicContact CB-CD1 4.01Å; L770-L773 HydrophobicContact CB-CG 4.42Å; L770-L773 VanDerWaalsContact O-CB 3.27Å; L770-L773 WeakPolarHBondContact O-CB 3.34Å; L770-L773 WeakPolarHBondContact O-CG 3.42Å; L770-L773 PolarHBondContact O-N 3.07Å
771G72.6Confident80.2Confident4 Ų455.1 Ų55.14%0.04128%0.277CS..G310 helixtrans-63.4-17.7172.500000113.4R769 L773 A774 A969 D970R769-G771 PolarHBondContact O-N 3.04Å; G771-L773 PolarHBondContact O-N 3.36Å; G771-A774 WeakPolarHBondContact O-CB 3.33Å; G771-A774 PolarHBondContact O-N 3.5Å; G771-A969 WeakPolarHBondContact O-CB 3.25Å; G771-D970 WeakPolarHBondContact CA-OD1 3.47Å; G771-D970 PolarHBondContact N-OD1 3.5Å
772C71.6Confident79.3Confident60 Ų6055.5 Ų55.541%0.40528%0.28SS..G310 helixtrans-58-31.6168.1650000112.2L770 A774 Q775L770-C772 PolarHBondContact O-N 3.09Å; C772-A774 PolarHBondContact O-N 3.05Å; C772-A774 VanDerWaalsContact O-N 3.15Å; C772-Q775 WeakPolarHBondContact O-CB 3.27Å; C772-Q775 PolarHBondContact O-N 2.84Å
773L67.8Low78.5Confident75 Ų7555.8 Ų55.839%0.39328%0.282SS..G310 helixtrans-59.7-28.1175.3-65.1176.6000111.9L770 G771 Q775 Y776L770-L773 HydrophobicContact CB-CD1 4.01Å; L770-L773 HydrophobicContact CB-CG 4.42Å; L770-L773 VanDerWaalsContact O-CB 3.27Å; L770-L773 WeakPolarHBondContact O-CB 3.34Å; L770-L773 WeakPolarHBondContact O-CG 3.42Å; L770-L773 PolarHBondContact O-N 3.07Å; G771-L773 PolarHBondContact O-N 3.36Å; L773-Q775 PolarHBondContact O-N 2.99Å; L773-Y776 PolarHBondContact O-N 3.37Å
774A67Low78Confident1 Ų153.8 Ų53.81%0.00827%0.271CS..G310 helixtrans-67.7-17.5177.700000113.6G771 C772 F949 V953 K957 A969G771-A774 WeakPolarHBondContact O-CB 3.33Å; G771-A774 PolarHBondContact O-N 3.5Å; C772-A774 PolarHBondContact O-N 3.05Å; C772-A774 VanDerWaalsContact O-N 3.15Å; A774-F949 HydrophobicContact CB-CE1 3.81Å; A774-F949 HydrophobicContact CB-CZ 4.02Å; A774-V953 HydrophobicContact CB-CG1 4.36Å; A774-K957 PolarHBondContact O-NZ 3.24Å; A774-A969 HydrophobicContact CB-CB 3.54Å
775Q66.6Low77.4Confident153 Ų15352 Ų5272%0.71526%0.258SS*.G310 helixtrans-78-24.5177.5-59.5-178.66.800111.9C772 L773C772-Q775 WeakPolarHBondContact O-CB 3.27Å; C772-Q775 PolarHBondContact O-N 2.84Å; L773-Q775 PolarHBondContact O-N 2.99Å
776Y67.4Low76.7Confident103 Ų10351.1 Ų51.140%0.40426%0.256SS..SBendtrans-83.1-10.6179.5-61.2-69.7000113.8L773 S778 L1104 L1107L773-Y776 PolarHBondContact O-N 3.37Å; Y776-S778 PolarHBondContact O-N 2.9Å; Y776-S778 VanDerWaalsContact O-N 3.09Å; Y776-L1104 HydrophobicContact CD1-CD2 3.48Å; Y776-L1104 VanDerWaalsContact CD1-CD2 3.48Å; Y776-L1104 HydrophobicContact CE1-CD2 3.8Å; Y776-L1104 HydrophobicContact CG-CD2 3.97Å; Y776-L1107 HydrophobicContact CE1-CD2 4.12Å
777F70.3Confident76.5Confident18 Ų1851.1 Ų51.18%0.07926%0.256CS..SBendtrans-78.592.9168.7-57.1-66.8000109.7L781 I782 V946 S950 L1096 V1100F777-L781 HydrophobicContact CD1-CD2 4.4Å; F777-I782 HydrophobicContact CB-CD1 3.93Å; F777-I782 HydrophobicContact CB-CG1 4.22Å; F777-V946 HydrophobicContact CZ-CG1 4.31Å; F777-S950 WeakPolarHBondContact CE1-OG 3.27Å; F777-S950 WeakPolarHBondContact CE2-OG 3.43Å; F777-S950 WeakPolarHBondContact CZ-OG 3.44Å; F777-L1096 HydrophobicContact CD1-CD1 4.34Å; F777-L1096 HydrophobicContact CE1-CD1 4.26Å; F777-V1100 HydrophobicContact CD1-CG2 3.78Å; F777-V1100 HydrophobicContact CE1-CG2 3.63Å
778S74.8Confident76.4Confident34 Ų3445.5 Ų45.524%0.23823%0.227CC..  trans-69.4146.7177.169.70000111.6Y776 P780 L781 I782Y776-S778 PolarHBondContact O-N 2.9Å; Y776-S778 VanDerWaalsContact O-N 3.09Å; S778-P780 VanDerWaalsContact C-CD 3.4Å; S778-P780 VanDerWaalsContact C-N 3.31Å; S778-L781 WeakPolarHBondContact O-CB 3.18Å; S778-L781 PolarHBondContact O-N 3.43Å; S778-L781 WeakPolarHBondContact OG-CB 3.46Å; S778-L781 PolarHBondContact OG-N 3.25Å; S778-I782 WeakPolarHBondContact O-CD1 3.49Å; S778-I782 PolarHBondContact O-N 3.08Å; S778-I782 VanDerWaalsContact O-N 3.16Å
779D76.3Confident75.9Confident104 Ų10439.7 Ų39.756%0.55620%0.196SC*.Hα-helixtrans-53.2-41177.2-66.6-16.4000112.9L781 I782 S783D779-L781 PolarHBondContact O-N 3.13Å; D779-I782 PolarHBondContact O-N 2.98Å; D779-S783 VanDerWaalsContact O-CB 3.3Å; D779-S783 WeakPolarHBondContact O-CB 3.5Å; D779-S783 PolarHBondContact O-N 3.42Å
780P84.2Confident75.7Confident16 Ų1632.4 Ų32.410%0.10417%0.171CC..Hα-helixtrans-63.1-38.4175.3-21.332.7000113.6S778 S783 G784 D1076 W1080S778-P780 VanDerWaalsContact C-CD 3.4Å; S778-P780 VanDerWaalsContact C-N 3.31Å; P780-S783 PolarHBondContact O-N 2.63Å; P780-G784 PolarHBondContact O-N 3.15Å; P780-D1076 HydrophobicContact CB-CB 4.47Å; P780-D1076 WeakPolarHBondContact CB-O 3.23Å; P780-D1076 HydrophobicContact CG-CB 3.86Å; P780-W1080 HydrophobicContact CB-CB 4.14Å
781L82.1Confident76.2Confident0 Ų032.3 Ų32.30%017%0.172CC..Hα-helixtrans-62.6-47.6178177.9162.2000111.2F777 S778 D779 G784 F785 V1079 S1083 L1096 G1099 V1100F777-L781 HydrophobicContact CD1-CD2 4.4Å; S778-L781 WeakPolarHBondContact O-CB 3.18Å; S778-L781 PolarHBondContact O-N 3.43Å; S778-L781 WeakPolarHBondContact OG-CB 3.46Å; S778-L781 PolarHBondContact OG-N 3.25Å; D779-L781 PolarHBondContact O-N 3.13Å; L781-G784 PolarHBondContact O-N 3.18Å; L781-F785 VanDerWaalsContact O-CB 3.27Å; L781-F785 WeakPolarHBondContact O-CB 3.24Å; L781-F785 PolarHBondContact O-N 3.17Å; L781-V1079 HydrophobicContact CB-CG1 3.67Å; L781-V1079 HydrophobicContact CG-CG1 4.44Å; L781-S1083 PolarHBondContact O-OG 3.25Å; L781-L1096 HydrophobicContact CD2-CD1 3.72Å; L781-G1099 WeakPolarHBondContact CD1-O 3.22Å; L781-V1100 HydrophobicContact CD1-CB 4.34Å; L781-V1100 HydrophobicContact CD1-CG2 3.76Å
782I74.9Confident76.5Confident19 Ų1933 Ų3310%0.09718%0.175CC..Hα-helixtrans-66-42.9-179.2-63.2149.1000110.4F777 S778 D779 F785 T786 S954F777-I782 HydrophobicContact CB-CD1 3.93Å; F777-I782 HydrophobicContact CB-CG1 4.22Å; S778-I782 WeakPolarHBondContact O-CD1 3.49Å; S778-I782 PolarHBondContact O-N 3.08Å; S778-I782 VanDerWaalsContact O-N 3.16Å; D779-I782 PolarHBondContact O-N 2.98Å; I782-F785 PolarHBondContact O-N 3.3Å; I782-T786 HydrophobicContact CG2-CG2 4.06Å; I782-T786 WeakPolarHBondContact O-CG2 3.16Å; I782-T786 PolarHBondContact O-N 2.79Å; I782-T786 PolarHBondContact O-OG1 3.33Å; I782-S954 WeakPolarHBondContact CD1-OG 3.2Å; I782-S954 WeakPolarHBondContact CG1-OG 3.11Å
783S78.3Confident76.8Confident6 Ų630.6 Ų30.64%0.04216%0.158CC..Hα-helixtrans-57.6-53.7177.1-179.20000110.5D779 P780 F785 T786 C787 Q1062 Q1065 W1080D779-S783 VanDerWaalsContact O-CB 3.3Å; D779-S783 WeakPolarHBondContact O-CB 3.5Å; D779-S783 PolarHBondContact O-N 3.42Å; P780-S783 PolarHBondContact O-N 2.63Å; S783-F785 PolarHBondContact O-N 3.15Å; S783-T786 PolarHBondContact O-N 3.17Å; S783-T786 PolarHBondContact O-OG1 3.34Å; S783-C787 PolarHBondContact O-N 2.92Å; S783-Q1062 VanDerWaalsContact CA-OE1 3.23Å; S783-Q1062 PolarHBondContact O-OE1 2.62Å; S783-Q1062 PolarHBondContact OG-OE1 3.3Å; S783-Q1065 PolarHBondContact OG-OE1 2.97Å; S783-W1080 PolarHBondContact OG-NE1 2.97Å
784G82.9Confident77.6Confident0 Ų030.5 Ų30.50%016%0.157CC..Hα-helixtrans-58.3-45.7177.400000113P780 L781 C787 G788 F1084P780-G784 PolarHBondContact O-N 3.15Å; L781-G784 PolarHBondContact O-N 3.18Å; G784-C787 PolarHBondContact O-N 3.48Å; G784-G788 PolarHBondContact O-N 3.24Å; G784-F1084 WeakPolarHBondContact O-CA 3.41Å
785F79.6Confident78.5Confident4 Ų431 Ų312%0.01816%0.16CC..Hα-helixtrans-60-47.7175.7168.2-110.6000113I716 L781 I782 S783 C787 G788 A789 V947 L951 A1087 A1092 L1096I716-F785 HydrophobicContact CD1-CE1 4.46Å; I716-F785 HydrophobicContact CD1-CZ 4.35Å; L781-F785 VanDerWaalsContact O-CB 3.27Å; L781-F785 WeakPolarHBondContact O-CB 3.24Å; L781-F785 PolarHBondContact O-N 3.17Å; I782-F785 PolarHBondContact O-N 3.3Å; S783-F785 PolarHBondContact O-N 3.15Å; F785-C787 VanDerWaalsContact C-N 3.34Å; F785-C787 PolarHBondContact O-N 2.7Å; F785-G788 PolarHBondContact O-N 2.88Å; F785-A789 WeakPolarHBondContact O-CB 3.33Å; F785-A789 PolarHBondContact O-N 3.24Å; F785-V947 HydrophobicContact CZ-CG1 4.19Å; F785-L951 HydrophobicContact CD1-CD2 4.46Å; F785-L951 HydrophobicContact CE1-CD2 3.88Å; F785-L951 HydrophobicContact CE1-CG 4.32Å; F785-A1087 HydrophobicContact CD2-CB 4.21Å; F785-A1092 HydrophobicContact CE2-CB 3.81Å; F785-A1092 WeakPolarHBondContact CE2-O 3.48Å; F785-A1092 HydrophobicContact CZ-CB 4.36Å; F785-L1096 HydrophobicContact CD2-CB 4.29Å; F785-L1096 HydrophobicContact CE2-CB 4.31Å
786T74.7Confident79.2Confident20 Ų2024.4 Ų24.412%0.12313%0.131CC..Hα-helixtrans-68.7-33.1-17866.50000112.5I782 S783 A790 L951 Q1062I782-T786 HydrophobicContact CG2-CG2 4.06Å; I782-T786 WeakPolarHBondContact O-CG2 3.16Å; I782-T786 PolarHBondContact O-N 2.79Å; I782-T786 PolarHBondContact O-OG1 3.33Å; S783-T786 PolarHBondContact O-N 3.17Å; S783-T786 PolarHBondContact O-OG1 3.34Å; T786-A790 WeakPolarHBondContact O-CB 3.49Å; T786-A790 PolarHBondContact O-N 2.94Å; T786-L951 HydrophobicContact CG2-CD2 3.92Å; T786-Q1062 PolarHBondContact OG1-NE2 3.02Å; T786-Q1062 PolarHBondContact OG1-OE1 2.88Å
787C84.1Confident79.9Confident1 Ų119.7 Ų19.71%0.00711%0.113CC..Hα-helixtrans-61.9-47.2168.5-81.40000111.8S783 G784 F785 A789 A790 V791 S1059 F1063 W1080 F1084S783-C787 PolarHBondContact O-N 2.92Å; G784-C787 PolarHBondContact O-N 3.48Å; F785-C787 VanDerWaalsContact C-N 3.34Å; F785-C787 PolarHBondContact O-N 2.7Å; C787-A789 VanDerWaalsContact C-N 3.33Å; C787-A789 PolarHBondContact O-N 3.42Å; C787-A790 WeakPolarHBondContact O-CB 3.3Å; C787-A790 PolarHBondContact O-N 3.05Å; C787-V791 PolarHBondContact O-N 3.27Å; C787-S1059 PolarHBondContact SG-O 3.26Å; C787-F1063 HydrophobicContact CB-CE2 3.95Å; C787-F1063 HydrophobicContact CB-CZ 4.22Å; C787-W1080 HydrophobicContact CB-CZ2 4.2Å; C787-F1084 HydrophobicContact CB-CD2 3.76Å; C787-F1084 HydrophobicContact CB-CE2 4.02Å
788G83Confident80.8Confident0 Ų021.7 Ų21.70%012%0.124CC..Hα-helixtrans-62.8-40.917900000112.2G784 F785 A790 V791 H792G784-G788 PolarHBondContact O-N 3.24Å; F785-G788 PolarHBondContact O-N 2.88Å; G788-A790 PolarHBondContact O-N 3.28Å; G788-V791 WeakPolarHBondContact O-CB 3.2Å; G788-V791 PolarHBondContact O-N 3.49Å; G788-H792 PolarHBondContact O-CD2 3.32Å; G788-H792 PolarHBondContact O-N 3.48Å
789A74.8Confident81.3Confident1 Ų120.3 Ų20.31%0.00811%0.114CC..Hα-helixtrans-68.9-32.4175.300000113.4I716 F785 C787 V791 H792 I793I716-A789 HydrophobicContact CD1-CB 3.2Å; I716-A789 HydrophobicContact CG1-CB 3.78Å; F785-A789 WeakPolarHBondContact O-CB 3.33Å; F785-A789 PolarHBondContact O-N 3.24Å; C787-A789 VanDerWaalsContact C-N 3.33Å; C787-A789 PolarHBondContact O-N 3.42Å; A789-V791 PolarHBondContact O-N 3.4Å; A789-H792 PolarHBondContact O-N 3.26Å; A789-I793 WeakPolarHBondContact O-CG1 3.28Å; A789-I793 PolarHBondContact O-N 2.89Å
790A79.6Confident81.5Confident11 Ų1117.2 Ų17.29%0.09110%0.098CC..Hα-helixtrans-61-34173.100000112T786 C787 G788 I793 L794 L1056T786-A790 WeakPolarHBondContact O-CB 3.49Å; T786-A790 PolarHBondContact O-N 2.94Å; C787-A790 WeakPolarHBondContact O-CB 3.3Å; C787-A790 PolarHBondContact O-N 3.05Å; G788-A790 PolarHBondContact O-N 3.28Å; A790-I793 PolarHBondContact O-N 3.44Å; A790-L794 WeakPolarHBondContact O-CB 3.17Å; A790-L794 PolarHBondContact O-N 3.12Å; A790-L1056 HydrophobicContact CB-CD2 4.02Å
791V86.6Confident81.5Confident48 Ų4816.9 Ų16.929%0.29110%0.096SC..Hα-helixtrans-63.7-45174177.80000111.2C787 G788 A789 I793 L794 C795 L815 F1084 V1088C787-V791 PolarHBondContact O-N 3.27Å; G788-V791 WeakPolarHBondContact O-CB 3.2Å; G788-V791 PolarHBondContact O-N 3.49Å; A789-V791 PolarHBondContact O-N 3.4Å; V791-I793 PolarHBondContact O-N 3.04Å; V791-L794 PolarHBondContact O-N 3.35Å; V791-C795 WeakPolarHBondContact O-CB 3.42Å; V791-C795 PolarHBondContact O-N 2.76Å; V791-L815 HydrophobicContact CG1-CD1 4.41Å; V791-L815 HydrophobicContact CG1-CD2 3.91Å; V791-F1084 HydrophobicContact CG2-CE2 4.39Å; V791-V1088 HydrophobicContact CB-CG2 4.41Å; V791-V1088 HydrophobicContact CG2-CG2 4.38Å
792H79.6Confident81.7Confident20 Ų2017.6 Ų17.69%0.09310%0.1CC..Hα-helixtrans-60.8-44.2175-78.8-84.2000112.3G788 A789 C795 S796 A1087 V1088G788-H792 PolarHBondContact O-CD2 3.32Å; G788-H792 PolarHBondContact O-N 3.48Å; A789-H792 PolarHBondContact O-N 3.26Å; H792-C795 PolarHBondContact O-N 2.95Å; H792-S796 WeakPolarHBondContact O-CB 3.37Å; H792-S796 PolarHBondContact O-N 2.8Å; H792-A1087 PolarHBondContact CD2-O 3.22Å; H792-A1087 PolarHBondContact NE2-O 3.03Å; H792-V1088 PolarHBondContact NE2-O 3.26Å
793I78.1Confident82Confident9 Ų917.3 Ų17.35%0.04610%0.102CC..Hα-helixtrans-63.4-45.7177.7-62.3161.7000110.3A715 I716 I719 A789 A790 V791 C795 S796 Q797 V1052 L1056A715-I793 HydrophobicContact CB-CD1 3.66Å; A715-I793 HydrophobicContact CB-CG1 3.97Å; A715-I793 HydrophobicContact CB-CG2 4.31Å; I716-I793 HydrophobicContact CG1-CD1 4Å; I719-I793 HydrophobicContact CD1-CG1 4.3Å; A789-I793 WeakPolarHBondContact O-CG1 3.28Å; A789-I793 PolarHBondContact O-N 2.89Å; A790-I793 PolarHBondContact O-N 3.44Å; V791-I793 PolarHBondContact O-N 3.04Å; I793-C795 PolarHBondContact O-N 2.84Å; I793-S796 WeakPolarHBondContact O-CB 3.44Å; I793-S796 PolarHBondContact O-N 3.44Å; I793-S796 VanDerWaalsContact O-N 3.15Å; I793-Q797 HydrophobicContact CG2-CG 4.27Å; I793-Q797 WeakPolarHBondContact O-CG 3.4Å; I793-Q797 PolarHBondContact O-N 3.34Å; I793-V1052 HydrophobicContact CG2-CG1 3.66Å; I793-L1056 HydrophobicContact CB-CD1 4.24Å; I793-L1056 HydrophobicContact CB-CD2 4.18Å; I793-L1056 HydrophobicContact CD1-CD2 4.12Å; I793-L1056 HydrophobicContact CG2-CD1 4.03Å; I793-L1056 HydrophobicContact CG2-CD2 4.07Å; I793-L1056 HydrophobicContact CG2-CG 4.45Å
794L85.3Confident82.2Confident73 Ų7318.3 Ų18.338%0.38211%0.107SC..Hα-helixtrans-58.6-50179.1-179.762.5000111A790 V791 S796 Q797 L798 I1053 L1056A790-L794 WeakPolarHBondContact O-CB 3.17Å; A790-L794 PolarHBondContact O-N 3.12Å; V791-L794 PolarHBondContact O-N 3.35Å; L794-S796 PolarHBondContact O-N 2.93Å; L794-Q797 PolarHBondContact O-N 2.82Å; L794-L798 WeakPolarHBondContact O-CG 3.45Å; L794-L798 PolarHBondContact O-N 2.89Å; L794-L798 VanDerWaalsContact O-N 3.11Å; L794-I1053 HydrophobicContact CD1-CG1 4.12Å; L794-I1053 HydrophobicContact CD1-CG2 4.23Å; L794-L1056 HydrophobicContact CB-CD1 3.84Å; L794-L1056 HydrophobicContact CD1-CD1 4.35Å
795C86.1Confident81.8Confident11 Ų1124.5 Ų24.57%0.07414%0.136CC..Hα-helixtrans-56.6-40.8176.4-173.20000111.3V791 H792 I793 L798 F799 L815V791-C795 WeakPolarHBondContact O-CB 3.42Å; V791-C795 PolarHBondContact O-N 2.76Å; H792-C795 PolarHBondContact O-N 2.95Å; I793-C795 PolarHBondContact O-N 2.84Å; C795-L798 PolarHBondContact O-N 3.45Å; C795-F799 WeakPolarHBondContact O-CD2 3.49Å; C795-L815 HydrophobicContact CB-CD1 3.63Å
796S80.2Confident81.6Confident14 Ų1426.1 Ų26.110%0.09814%0.144CC..Hα-helixtrans-65.7-40.8178.6175.10000114.2H792 I793 L794 L798 M806H792-S796 WeakPolarHBondContact O-CB 3.37Å; H792-S796 PolarHBondContact O-N 2.8Å; I793-S796 WeakPolarHBondContact O-CB 3.44Å; I793-S796 PolarHBondContact O-N 3.44Å; I793-S796 VanDerWaalsContact O-N 3.15Å; L794-S796 PolarHBondContact O-N 2.93Å; S796-L798 VanDerWaalsContact C-N 3.32Å; S796-L798 PolarHBondContact O-N 3.31Å; S796-M806 VanDerWaalsContact CB-CE 3.46Å; S796-M806 VanDerWaalsContact OG-CE 3.24Å; S796-M806 WeakPolarHBondContact OG-CE 3.43Å
797Q83.5Confident81.5Confident4 Ų429.6 Ų29.62%0.01916%0.161CC..Hα-helixtrans-72.3-26.3179-61.2-43.8-59.500112.8I793 L794 F799 T800 V801 A1049 V1052 I1053I793-Q797 HydrophobicContact CG2-CG 4.27Å; I793-Q797 WeakPolarHBondContact O-CG 3.4Å; I793-Q797 PolarHBondContact O-N 3.34Å; L794-Q797 PolarHBondContact O-N 2.82Å; Q797-F799 VanDerWaalsContact C-N 3.29Å; Q797-F799 PolarHBondContact O-N 3.41Å; Q797-T800 PolarHBondContact O-N 2.88Å; Q797-V801 PolarHBondContact O-N 3.29Å; Q797-A1049 HydrophobicContact CB-CB 4.21Å; Q797-V1052 HydrophobicContact CG-CB 3.99Å; Q797-V1052 HydrophobicContact CG-CG1 3.68Å; Q797-I1053 HydrophobicContact CB-CD1 3.97Å; Q797-I1053 HydrophobicContact CB-CG1 3.8Å; Q797-I1053 HydrophobicContact CG-CG1 4.37Å
798L88.1Confident80.7Confident61 Ų6135 Ų3532%0.31919%0.186SC..Hα-helixtrans-60-36.3178.6-75.5172.9000112.7L794 C795 S796 T800 V801 I802 L822L794-L798 WeakPolarHBondContact O-CG 3.45Å; L794-L798 PolarHBondContact O-N 2.89Å; L794-L798 VanDerWaalsContact O-N 3.11Å; C795-L798 PolarHBondContact O-N 3.45Å; S796-L798 VanDerWaalsContact C-N 3.32Å; S796-L798 PolarHBondContact O-N 3.31Å; L798-T800 VanDerWaalsContact C-N 3.29Å; L798-T800 PolarHBondContact O-N 3.47Å; L798-V801 PolarHBondContact O-N 2.96Å; L798-I802 WeakPolarHBondContact O-CB 3.31Å; L798-I802 VanDerWaalsContact O-CG1 3.31Å; L798-I802 WeakPolarHBondContact O-CG1 3.24Å; L798-I802 PolarHBondContact O-N 2.94Å; L798-L822 HydrophobicContact CB-CD1 4.23Å; L798-L822 HydrophobicContact CB-CD2 4.1Å; L798-L822 HydrophobicContact CD1-CD2 4.03Å
799F85.9Confident80.1Confident4 Ų438.4 Ų38.42%0.01820%0.2CC..Hα-helixtrans-58.3-41.8173-76.1-84.5000112.2C795 Q797 I802 G803 V804 M806 H818 D821 L822C795-F799 WeakPolarHBondContact O-CD2 3.49Å; Q797-F799 VanDerWaalsContact C-N 3.29Å; Q797-F799 PolarHBondContact O-N 3.41Å; F799-I802 PolarHBondContact O-N 3.38Å; F799-G803 PolarHBondContact O-N 3.05Å; F799-V804 CarbonylContact C-O 3.37Å; F799-V804 HydrophobicContact CD1-CB 4.44Å; F799-V804 HydrophobicContact CD1-CG1 4.39Å; F799-V804 PolarHBondContact O-N 3.46Å; F799-V804 VanDerWaalsContact O-O 3.14Å; F799-M806 HydrophobicContact CB-CB 4.39Å; F799-M806 HydrophobicContact CD2-CB 4.38Å; F799-M806 HydrophobicContact CD2-CE 3.71Å; F799-M806 HydrophobicContact CD2-CG 4.48Å; F799-M806 HydrophobicContact CE2-CE 4.17Å; F799-M806 HydrophobicContact CG-CB 4.2Å; F799-M806 HydrophobicContact CG-CE 4.48Å; F799-H818 HydrophobicContact CE2-CB 4.11Å; F799-H818 HydrophobicContact CZ-CB 4.45Å; F799-H818 VanDerWaalsContact CZ-O 3.25Å; F799-H818 WeakPolarHBondContact CZ-O 3.08Å; F799-D821 HydrophobicContact CZ-CB 4.37Å; F799-L822 HydrophobicContact CD1-CD1 3.95Å; F799-L822 HydrophobicContact CD2-CD1 4.1Å; F799-L822 HydrophobicContact CE1-CB 4.22Å; F799-L822 HydrophobicContact CE1-CD1 3.96Å; F799-L822 HydrophobicContact CE2-CB 4.28Å; F799-L822 HydrophobicContact CE2-CD1 4.1Å; F799-L822 HydrophobicContact CG-CD1 4.03Å; F799-L822 HydrophobicContact CZ-CB 3.83Å; F799-L822 HydrophobicContact CZ-CD1 4.04Å
800T79.8Confident79.5Confident39 Ų3945.1 Ų45.124%0.23923%0.228CC..Hα-helixtrans-72.9-31.3179.9-55.40000112.2Q797 L798 G803 K1045 A1049Q797-T800 PolarHBondContact O-N 2.88Å; L798-T800 VanDerWaalsContact C-N 3.29Å; L798-T800 PolarHBondContact O-N 3.47Å; T800-G803 PolarHBondContact O-N 3.18Å; T800-K1045 HydrophobicContact CG2-CB 3.8Å; T800-K1045 WeakPolarHBondContact CG2-O 3.32Å; T800-A1049 HydrophobicContact CG2-CB 3.8Å
801V85.5Confident79Confident9 Ų948.2 Ų48.26%0.05525%0.246CC..Hα-helixtrans-67.4-42.4173.5165.50000111.5Q797 L798 G803 T833 L834 S837 A1049 I1053Q797-V801 PolarHBondContact O-N 3.29Å; L798-V801 PolarHBondContact O-N 2.96Å; V801-G803 VanDerWaalsContact C-N 3.3Å; V801-T833 CarbonylContact O-C 3.54Å; V801-L834 HydrophobicContact CG1-CD1 3.8Å; V801-L834 WeakPolarHBondContact O-CA 3.06Å; V801-L834 PolarHBondContact O-N 3.25Å; V801-S837 PolarHBondContact O-OG 2.83Å; V801-A1049 HydrophobicContact CG2-CB 3.96Å; V801-I1053 HydrophobicContact CG2-CD1 3.61Å
802I86.3Confident77.9Confident16 Ų1649 Ų498%0.08225%0.253CS..Hα-helixtrans-75.5-21.7177.7-65179.8000111.5L798 F799 V804 L822 L826 C829 N830 T833L798-I802 WeakPolarHBondContact O-CB 3.31Å; L798-I802 VanDerWaalsContact O-CG1 3.31Å; L798-I802 WeakPolarHBondContact O-CG1 3.24Å; L798-I802 PolarHBondContact O-N 2.94Å; F799-I802 PolarHBondContact O-N 3.38Å; I802-V804 HydrophobicContact CG2-CG2 3.89Å; I802-L822 HydrophobicContact CD1-CD1 3.63Å; I802-L822 HydrophobicContact CD1-CG 4.22Å; I802-L826 HydrophobicContact CD1-CD2 4.32Å; I802-C829 HydrophobicContact CG2-CB 3.63Å; I802-C829 VanDerWaalsContact CG2-SG 3.6Å; I802-N830 PolarHBondContact O-N 3.25Å; I802-T833 PolarHBondContact O-OG1 3.41Å
803G79.6Confident78Confident13 Ų1354.7 Ų54.713%0.13427%0.273CS..THydrogen-bonded Turntrans91.812.7178.300000114.8F799 T800 V801 T833 K899F799-G803 PolarHBondContact O-N 3.05Å; T800-G803 PolarHBondContact O-N 3.18Å; V801-G803 VanDerWaalsContact C-N 3.3Å; G803-T833 WeakPolarHBondContact CA-OG1 3.48Å; G803-K899 VanDerWaalsContact O-CE 3.31Å; G803-K899 WeakPolarHBondContact O-CE 3.28Å
804V83.2Confident78.1Confident26 Ų2655.6 Ų55.616%0.15828%0.277CS..PPolyproline II helixtrans-97.5149.9-178.5-179.90000110.4F799 I802 N825F799-V804 CarbonylContact C-O 3.37Å; F799-V804 HydrophobicContact CD1-CB 4.44Å; F799-V804 HydrophobicContact CD1-CG1 4.39Å; F799-V804 PolarHBondContact O-N 3.46Å; F799-V804 VanDerWaalsContact O-O 3.14Å; I802-V804 HydrophobicContact CG2-CG2 3.89Å; V804-N825 HydrophobicContact CG1-CB 3.98Å; V804-N825 HydrophobicContact CG2-CB 4.35Å
805E73.9Confident78.1Confident130 Ų13052.3 Ų52.361%0.60726%0.26SS*.PPolyproline II helixtrans-81.2135.2174.3-112.7154.2-126.900111.4K899E805-K899 IonicContact OE1-NZ 2.75Å; E805-K899 PolarHBondContact OE1-NZ 3.06Å
806M75Confident78.1Confident38 Ų3857 Ų5719%0.18728%0.279CS..PPolyproline II helixtrans-80.9134.7178.5173.9-170.5-73.300110.6S796 F799 H808S796-M806 VanDerWaalsContact CB-CE 3.46Å; S796-M806 VanDerWaalsContact OG-CE 3.24Å; S796-M806 WeakPolarHBondContact OG-CE 3.43Å; F799-M806 HydrophobicContact CB-CB 4.39Å; F799-M806 HydrophobicContact CD2-CB 4.38Å; F799-M806 HydrophobicContact CD2-CE 3.71Å; F799-M806 HydrophobicContact CD2-CG 4.48Å; F799-M806 HydrophobicContact CE2-CE 4.17Å; F799-M806 HydrophobicContact CG-CB 4.2Å; F799-M806 HydrophobicContact CG-CE 4.48Å; M806-H808 PolarHBondContact SD-CE1 3.1Å
807I73.6Confident78.4Confident93 Ų9357.2 Ų57.248%0.47728%0.282SS..PPolyproline II helixtrans-88127.6166.9-56.9171.5000108.7Y809 H818I807-Y809 HydrophobicContact CB-CE2 4.15Å; I807-Y809 HydrophobicContact CG2-CE1 4.2Å; I807-Y809 HydrophobicContact CG2-CE2 4.06Å; I807-H818 PolarHBondContact O-CE1 3.32Å; I807-H818 PolarHBondContact O-ND1 3.23Å
808H68.1Low78.4Confident116 Ų11657.9 Ų57.954%0.53728%0.284SS..PPolyproline II helixtrans-90.8121.3-178.5-65.6-59.6000111.7M806M806-H808 PolarHBondContact SD-CE1 3.1Å
809Y69Low78.4Confident71 Ų7158.5 Ų58.528%0.27829%0.287SS..  trans-105.8143.2178.8-63.8-78.7000112.6I807 A817 D821I807-Y809 HydrophobicContact CB-CE2 4.15Å; I807-Y809 HydrophobicContact CG2-CE1 4.2Å; I807-Y809 HydrophobicContact CG2-CE2 4.06Å; Y809-A817 HydrophobicContact CD2-CB 3.9Å; Y809-A817 HydrophobicContact CE2-CB 3.99Å; Y809-A817 HydrophobicContact CG-CB 4.34Å; Y809-D821 WeakPolarHBondContact CE2-OD2 3.4Å; Y809-D821 VanDerWaalsContact CZ-OD2 3.23Å; Y809-D821 PolarHBondContact OH-OD2 3.44Å
810K61.9Low78.5Confident141 Ų14164.3 Ų64.361%0.61331%0.309SS*.  trans-107.237.5177.8-112.5-171.1173.6-173.20112.6N727N727-K810 WeakPolarHBondContact ND2-CE 3.34Å; N727-K810 PolarHBondContact ND2-NZ 2.67Å
811V69.8Low78.8Confident77 Ų7763.1 Ų63.147%0.46730%0.301SS..SBendtrans-113.5149.5178.8-66.50000111K814V811-K814 PolarHBondContact O-N 3.37Å
812P64.3Low78.9Confident65 Ų6563.9 Ų63.942%0.42231%0.305SS..THydrogen-bonded Turntrans-54.7151.4156.81.510.2000107.2K814 L1090P812-K814 VanDerWaalsContact C-N 3.33Å; P812-K814 PolarHBondContact O-N 3.49Å; P812-L1090 HydrophobicContact CB-CD2 4.36Å
813W80.9Confident79.1Confident139 Ų13967.1 Ų67.153%0.52733%0.325SS..THydrogen-bonded Turntrans7411.8-176.1-31.294.9000115.9L815 F816 I1089 L1090W813-L815 PolarHBondContact O-N 3.15Å; W813-F816 HydrophobicContact CB-CD2 4.11Å; W813-F816 HydrophobicContact CE3-CD2 4.35Å; W813-F816 HydrophobicContact CE3-CE2 4.11Å; W813-F816 PolarHBondContact O-N 3.4Å; W813-I1089 VanDerWaalsContact CA-O 3.22Å; W813-I1089 WeakPolarHBondContact CA-O 3.26Å; W813-I1089 HydrophobicContact CD2-CG2 4.16Å; W813-I1089 HydrophobicContact CE3-CG2 3.24Å; W813-I1089 HydrophobicContact CH2-CG2 3.48Å; W813-I1089 VanDerWaalsContact CH2-CG2 3.48Å; W813-I1089 HydrophobicContact CZ2-CG2 4.35Å; W813-I1089 HydrophobicContact CZ3-CB 4.36Å; W813-I1089 HydrophobicContact CZ3-CG2 2.88Å; W813-I1089 PolarHBondContact N-O 2.89Å; W813-L1090 HydrophobicContact CH2-CD2 4.35Å; W813-L1090 HydrophobicContact CZ2-CD2 3.85Å; W813-L1090 PolarHBondContact N-O 3.02Å
814K80.1Confident79.5Confident27 Ų2773.4 Ų73.412%0.11735%0.349CS..Hα-helixtrans-52.8-29.2179.369.3-174.8-175.9-165.40114.5V811 P812 F816 A817 H818 D1091V811-K814 PolarHBondContact O-N 3.37Å; P812-K814 VanDerWaalsContact C-N 3.33Å; P812-K814 PolarHBondContact O-N 3.49Å; K814-F816 VanDerWaalsContact C-N 3.31Å; K814-F816 PolarHBondContact O-N 3.02Å; K814-A817 PolarHBondContact O-N 2.82Å; K814-H818 PolarHBondContact O-CD2 2.86Å; K814-H818 PolarHBondContact O-N 2.78Å; K814-D1091 VanDerWaalsContact CE-CG 3.49Å; K814-D1091 WeakPolarHBondContact CE-OD1 3.36Å; K814-D1091 WeakPolarHBondContact CE-OD2 3.13Å; K814-D1091 IonicContact NZ-OD1 2.79Å; K814-D1091 PolarHBondContact NZ-OD1 3.46Å; K814-D1091 IonicContact NZ-OD2 2.68Å; K814-D1091 PolarHBondContact NZ-OD2 3.36Å
815L84.7Confident79.7Confident5 Ų574.4 Ų74.43%0.02635%0.354CS..Hα-helixtrans-59.5-42.9176.6-17866.8000111.5V791 C795 W813 H818 I819 V1088V791-L815 HydrophobicContact CG1-CD1 4.41Å; V791-L815 HydrophobicContact CG1-CD2 3.91Å; C795-L815 HydrophobicContact CB-CD1 3.63Å; W813-L815 PolarHBondContact O-N 3.15Å; L815-H818 PolarHBondContact O-N 2.99Å; L815-I819 HydrophobicContact CD1-CD1 4.3Å; L815-I819 HydrophobicContact CG-CD1 3.95Å; L815-I819 VanDerWaalsContact O-CG1 3.31Å; L815-I819 WeakPolarHBondContact O-CG1 3.2Å; L815-I819 PolarHBondContact O-N 3.08Å; L815-V1088 HydrophobicContact CD2-CG1 3.57Å
816F87.4Confident80.2Confident110 Ų11072.8 Ų72.848%0.48235%0.349SS..Hα-helixtrans-68.4-37.6179-65.5-75.2000111.6W813 K814 I819 R820W813-F816 HydrophobicContact CB-CD2 4.11Å; W813-F816 HydrophobicContact CE3-CD2 4.35Å; W813-F816 HydrophobicContact CE3-CE2 4.11Å; W813-F816 PolarHBondContact O-N 3.4Å; K814-F816 VanDerWaalsContact C-N 3.31Å; K814-F816 PolarHBondContact O-N 3.02Å; F816-I819 PolarHBondContact O-N 2.82Å; F816-R820 VanDerWaalsContact O-CB 3.22Å; F816-R820 WeakPolarHBondContact O-CB 3.3Å; F816-R820 PolarHBondContact O-N 3.08Å
817A85.1Confident80.8Confident18 Ų1876.2 Ų76.215%0.14937%0.374CS..Hα-helixtrans-62.3-44.8172.300000111.3Y809 K814 R820 D821Y809-A817 HydrophobicContact CD2-CB 3.9Å; Y809-A817 HydrophobicContact CE2-CB 3.99Å; Y809-A817 HydrophobicContact CG-CB 4.34Å; K814-A817 PolarHBondContact O-N 2.82Å; A817-R820 PolarHBondContact O-N 3.26Å; A817-D821 WeakPolarHBondContact O-CB 3.38Å; A817-D821 PolarHBondContact O-N 2.63Å
818H84.1Confident81.3Confident17 Ų1777.4 Ų77.48%0.07938%0.381CS..Hα-helixtrans-62.6-43.7174.8-72.4-54.7000112.7F799 I807 K814 L815 D821 L822F799-H818 HydrophobicContact CE2-CB 4.11Å; F799-H818 HydrophobicContact CZ-CB 4.45Å; F799-H818 VanDerWaalsContact CZ-O 3.25Å; F799-H818 WeakPolarHBondContact CZ-O 3.08Å; I807-H818 PolarHBondContact O-CE1 3.32Å; I807-H818 PolarHBondContact O-ND1 3.23Å; K814-H818 PolarHBondContact O-CD2 2.86Å; K814-H818 PolarHBondContact O-N 2.78Å; L815-H818 PolarHBondContact O-N 2.99Å; H818-D821 PolarHBondContact O-N 3.11Å; H818-L822 VanDerWaalsContact O-CB 3.25Å; H818-L822 WeakPolarHBondContact O-CB 3.34Å; H818-L822 PolarHBondContact O-N 3.34Å
819I87.9Confident82.2Confident74 Ų7473.3 Ų73.338%0.37937%0.365SS..Hα-helixtrans-63.4-44.4176.8-69.9168.6000110.4L815 F816 D821 L822 V823L815-I819 HydrophobicContact CD1-CD1 4.3Å; L815-I819 HydrophobicContact CG-CD1 3.95Å; L815-I819 VanDerWaalsContact O-CG1 3.31Å; L815-I819 WeakPolarHBondContact O-CG1 3.2Å; L815-I819 PolarHBondContact O-N 3.08Å; F816-I819 PolarHBondContact O-N 2.82Å; I819-D821 PolarHBondContact O-N 3.29Å; I819-L822 WeakPolarHBondContact O-CB 3.46Å; I819-L822 PolarHBondContact O-N 2.92Å; I819-V823 VanDerWaalsContact O-CG2 3.31Å; I819-V823 WeakPolarHBondContact O-CG2 3.23Å; I819-V823 PolarHBondContact O-N 3.49Å
820R88.7Confident83Confident127 Ų12771.2 Ų71.248%0.47936%0.359SS..Hα-helixtrans-57.8-49.4176-176.8-161.268.4179.6-1.9111F816 A817 L822 V823 F824F816-R820 VanDerWaalsContact O-CB 3.22Å; F816-R820 WeakPolarHBondContact O-CB 3.3Å; F816-R820 PolarHBondContact O-N 3.08Å; A817-R820 PolarHBondContact O-N 3.26Å; R820-L822 VanDerWaalsContact C-N 3.32Å; R820-L822 PolarHBondContact O-N 3Å; R820-V823 PolarHBondContact O-N 2.83Å; R820-F824 HydrophobicContact CG-CD2 3.69Å; R820-F824 HydrophobicContact CG-CE2 3.46Å; R820-F824 VanDerWaalsContact CG-CE2 3.46Å; R820-F824 WeakPolarHBondContact O-CD2 3.3Å; R820-F824 PolarHBondContact O-N 3.32Å
821D86.2Confident84.2Confident14 Ų1470.4 Ų70.48%0.07536%0.36CS..Hα-helixtrans-68-32.4179.9-68.13.9000112.2F799 Y809 A817 H818 I819 N825F799-D821 HydrophobicContact CZ-CB 4.37Å; Y809-D821 WeakPolarHBondContact CE2-OD2 3.4Å; Y809-D821 VanDerWaalsContact CZ-OD2 3.23Å; Y809-D821 PolarHBondContact OH-OD2 3.44Å; A817-D821 WeakPolarHBondContact O-CB 3.38Å; A817-D821 PolarHBondContact O-N 2.63Å; H818-D821 PolarHBondContact O-N 3.11Å; I819-D821 PolarHBondContact O-N 3.29Å; D821-N825 VanDerWaalsContact O-CB 3.27Å; D821-N825 WeakPolarHBondContact O-CB 3.24Å; D821-N825 PolarHBondContact O-N 2.83Å; D821-N825 PolarHBondContact O-ND2 3.5Å
822L87.7Confident84.8Confident24 Ų2468 Ų6813%0.12635%0.348CS..Hα-helixtrans-62.3-45.7171.6-171.373.1000110.1L798 F799 I802 H818 I819 R820 N825 L826L798-L822 HydrophobicContact CB-CD1 4.23Å; L798-L822 HydrophobicContact CB-CD2 4.1Å; L798-L822 HydrophobicContact CD1-CD2 4.03Å; F799-L822 HydrophobicContact CD1-CD1 3.95Å; F799-L822 HydrophobicContact CD2-CD1 4.1Å; F799-L822 HydrophobicContact CE1-CB 4.22Å; F799-L822 HydrophobicContact CE1-CD1 3.96Å; F799-L822 HydrophobicContact CE2-CB 4.28Å; F799-L822 HydrophobicContact CE2-CD1 4.1Å; F799-L822 HydrophobicContact CG-CD1 4.03Å; F799-L822 HydrophobicContact CZ-CB 3.83Å; F799-L822 HydrophobicContact CZ-CD1 4.04Å; I802-L822 HydrophobicContact CD1-CD1 3.63Å; I802-L822 HydrophobicContact CD1-CG 4.22Å; H818-L822 VanDerWaalsContact O-CB 3.25Å; H818-L822 WeakPolarHBondContact O-CB 3.34Å; H818-L822 PolarHBondContact O-N 3.34Å; I819-L822 WeakPolarHBondContact O-CB 3.46Å; I819-L822 PolarHBondContact O-N 2.92Å; R820-L822 VanDerWaalsContact C-N 3.32Å; R820-L822 PolarHBondContact O-N 3Å; L822-N825 PolarHBondContact O-N 3.3Å; L822-L826 PolarHBondContact O-N 2.78Å; L822-L826 VanDerWaalsContact O-N 3.07Å
823V89.6Confident85.7Confident84 Ų8465 Ų6551%0.50933%0.329SS..Hα-helixtrans-65.2-43.8179.1172.20000111.3I819 R820 N825 L826I819-V823 VanDerWaalsContact O-CG2 3.31Å; I819-V823 WeakPolarHBondContact O-CG2 3.23Å; I819-V823 PolarHBondContact O-N 3.49Å; R820-V823 PolarHBondContact O-N 2.83Å; V823-N825 VanDerWaalsContact C-N 3.32Å; V823-N825 PolarHBondContact O-N 3.46Å; V823-L826 HydrophobicContact CB-CD1 4.43Å; V823-L826 HydrophobicContact CG1-CD1 4.46Å; V823-L826 HydrophobicContact CG2-CD1 4.49Å; V823-L826 WeakPolarHBondContact O-CB 3.11Å; V823-L826 PolarHBondContact O-N 2.72Å
824F89.1Confident86.1Confident146 Ų14661.1 Ų61.164%0.6432%0.318SS*.Hα-helixtrans-68.2-29.7177.5-79-63.2000113.6R820 P827R820-F824 HydrophobicContact CG-CD2 3.69Å; R820-F824 HydrophobicContact CG-CE2 3.46Å; R820-F824 VanDerWaalsContact CG-CE2 3.46Å; R820-F824 WeakPolarHBondContact O-CD2 3.3Å; R820-F824 PolarHBondContact O-N 3.32Å; F824-P827 VanDerWaalsContact O-CD 3.28Å; F824-P827 WeakPolarHBondContact O-CD 3.4Å
825N85.7Confident86.4Confident46 Ų4663.8 Ų63.825%0.24634%0.336CS..Hα-helixtrans-91.50.8178.1-71.6-59.4000114.1V804 D821 L822 V823 P827 N828V804-N825 HydrophobicContact CG1-CB 3.98Å; V804-N825 HydrophobicContact CG2-CB 4.35Å; D821-N825 VanDerWaalsContact O-CB 3.27Å; D821-N825 WeakPolarHBondContact O-CB 3.24Å; D821-N825 PolarHBondContact O-N 2.83Å; D821-N825 PolarHBondContact O-ND2 3.5Å; L822-N825 PolarHBondContact O-N 3.3Å; V823-N825 VanDerWaalsContact C-N 3.32Å; V823-N825 PolarHBondContact O-N 3.46Å; N825-P827 VanDerWaalsContact C-N 3.31Å; N825-N828 PolarHBondContact O-N 3.39Å
826L85.8Confident86.3Confident97 Ų9765 Ų6551%0.50835%0.345SS..G310 helixtrans-51.8-41.5173.1-87.7160000113.5I802 L822 V823 N828 C829I802-L826 HydrophobicContact CD1-CD2 4.32Å; L822-L826 PolarHBondContact O-N 2.78Å; L822-L826 VanDerWaalsContact O-N 3.07Å; V823-L826 HydrophobicContact CB-CD1 4.43Å; V823-L826 HydrophobicContact CG1-CD1 4.46Å; V823-L826 HydrophobicContact CG2-CD1 4.49Å; V823-L826 WeakPolarHBondContact O-CB 3.11Å; V823-L826 PolarHBondContact O-N 2.72Å; L826-N828 PolarHBondContact O-N 3.42Å; L826-C829 WeakPolarHBondContact O-CB 3.29Å; L826-C829 PolarHBondContact O-N 3.43Å
827P86.4Confident86.2Confident109 Ų10959.8 Ų59.871%0.70832%0.322SS*.G310 helixtrans-64.2-28.1176.9-21.534.1000113.3F824 N825 C829F824-P827 VanDerWaalsContact O-CD 3.28Å; F824-P827 WeakPolarHBondContact O-CD 3.4Å; N825-P827 VanDerWaalsContact C-N 3.31Å; P827-C829 PolarHBondContact O-N 3.08Å
828N85.3Confident86.5Confident118 Ų11863.1 Ų63.163%0.63134%0.337SS*.G310 helixtrans-87.717.3179.7-62.2-30.1000112.5N825 L826N825-N828 PolarHBondContact O-N 3.39Å; L826-N828 PolarHBondContact O-N 3.42Å
829C86.2Confident86.6Confident30 Ų3066.4 Ų66.420%0.20336%0.357CS..  trans-63.8133.9-179.51770000111.7I802 L826 P827 I831I802-C829 HydrophobicContact CG2-CB 3.63Å; I802-C829 VanDerWaalsContact CG2-SG 3.6Å; L826-C829 WeakPolarHBondContact O-CB 3.29Å; L826-C829 PolarHBondContact O-N 3.43Å; P827-C829 PolarHBondContact O-N 3.08Å; C829-I831 PolarHBondContact O-N 2.96Å
830N86.5Confident86.4Confident27 Ų2763 Ų6314%0.14434%0.341CS..  trans-83105167.2175.5-10.8000109.1I802 A832 T833 L834 Y896 G897I802-N830 PolarHBondContact O-N 3.25Å; N830-A832 PolarHBondContact O-N 3.47Å; N830-A832 WeakPolarHBondContact OD1-CB 3.48Å; N830-A832 PolarHBondContact OD1-N 3.27Å; N830-T833 WeakPolarHBondContact CB-OG1 3.08Å; N830-T833 VanDerWaalsContact CG-OG1 3.27Å; N830-T833 PolarHBondContact O-N 3.06Å; N830-T833 PolarHBondContact O-OG1 3.45Å; N830-T833 PolarHBondContact OD1-N 3.25Å; N830-L834 PolarHBondContact O-N 2.96Å; N830-Y896 VanDerWaalsContact CG-O 3.24Å; N830-Y896 PolarHBondContact ND2-O 3.29Å; N830-Y896 PolarHBondContact OD1-O 3.35Å; N830-G897 PolarHBondContact ND2-O 3.03Å
831I86.1Confident86.2Confident125 Ų12558.9 Ų58.964%0.64133%0.328SS*.Hα-helixtrans-57.9-37.1-177.6-61.7168.4000111.3C829 L834 V835C829-I831 PolarHBondContact O-N 2.96Å; I831-L834 PolarHBondContact O-N 3.34Å; I831-V835 HydrophobicContact CG2-CG2 4.2Å; I831-V835 WeakPolarHBondContact O-CG2 3.31Å; I831-V835 PolarHBondContact O-N 2.74Å
832A82.3Confident86.3Confident25 Ų2561.9 Ų61.921%0.20735%0.346CS..Hα-helixtrans-67.8-40.2-179.400000112N830 S836 Y896 I898N830-A832 PolarHBondContact O-N 3.47Å; N830-A832 WeakPolarHBondContact OD1-CB 3.48Å; N830-A832 PolarHBondContact OD1-N 3.27Å; A832-S836 VanDerWaalsContact O-CB 3.29Å; A832-S836 WeakPolarHBondContact O-CB 3.12Å; A832-S836 PolarHBondContact O-N 2.83Å; A832-S836 PolarHBondContact O-OG 3.05Å; A832-Y896 HydrophobicContact CB-CD1 3.96Å; A832-Y896 HydrophobicContact CB-CG 3.95Å; A832-I898 HydrophobicContact CB-CD1 3.9Å; A832-I898 HydrophobicContact CB-CG1 4.09Å
833T83.9Confident86Confident4 Ų463.3 Ų63.33%0.02536%0.356CS..Hα-helixtrans-65.8-38.1172.140.30000112.3V801 I802 G803 N830 S836 S837 I898 F1046V801-T833 CarbonylContact O-C 3.54Å; I802-T833 PolarHBondContact O-OG1 3.41Å; G803-T833 WeakPolarHBondContact CA-OG1 3.48Å; N830-T833 WeakPolarHBondContact CB-OG1 3.08Å; N830-T833 VanDerWaalsContact CG-OG1 3.27Å; N830-T833 PolarHBondContact O-N 3.06Å; N830-T833 PolarHBondContact O-OG1 3.45Å; N830-T833 PolarHBondContact OD1-N 3.25Å; T833-S836 WeakPolarHBondContact CA-OG 3.29Å; T833-S836 PolarHBondContact O-OG 3.28Å; T833-S836 VanDerWaalsContact O-OG 3.07Å; T833-S837 VanDerWaalsContact O-CB 3.29Å; T833-S837 WeakPolarHBondContact O-CB 3.41Å; T833-S837 PolarHBondContact O-N 2.96Å; T833-S837 PolarHBondContact O-OG 3.22Å; T833-I898 HydrophobicContact CG2-CB 4.22Å; T833-I898 HydrophobicContact CG2-CG1 4.17Å; T833-I898 HydrophobicContact CG2-CG2 3.73Å; T833-F1046 HydrophobicContact CG2-CD1 4.5Å
834L88.5Confident85.6Confident57 Ų5759.3 Ų59.330%0.29833%0.332SS..Hα-helixtrans-66.9-51.5-178.2-177.864.5000111.7V801 N830 I831 S836 S837 I838V801-L834 HydrophobicContact CG1-CD1 3.8Å; V801-L834 WeakPolarHBondContact O-CA 3.06Å; V801-L834 PolarHBondContact O-N 3.25Å; N830-L834 PolarHBondContact O-N 2.96Å; I831-L834 PolarHBondContact O-N 3.34Å; L834-S836 PolarHBondContact O-N 3.1Å; L834-S837 WeakPolarHBondContact O-CB 3.15Å; L834-S837 PolarHBondContact O-N 2.93Å; L834-I838 HydrophobicContact CD1-CD1 4.24Å; L834-I838 HydrophobicContact CG-CD1 4.12Å; L834-I838 WeakPolarHBondContact O-CG1 3.09Å; L834-I838 PolarHBondContact O-N 2.83Å
835V88.1Confident85.3Confident83 Ų8354.5 Ų54.550%0.50332%0.317SS..Hα-helixtrans-61.2-46.4179.8173.10000110.6I831 S837 I838 V839I831-V835 HydrophobicContact CG2-CG2 4.2Å; I831-V835 WeakPolarHBondContact O-CG2 3.31Å; I831-V835 PolarHBondContact O-N 2.74Å; V835-S837 VanDerWaalsContact C-N 3.32Å; V835-S837 PolarHBondContact O-N 3.26Å; V835-I838 PolarHBondContact O-N 3.23Å; V835-V839 WeakPolarHBondContact O-CG2 3.46Å; V835-V839 PolarHBondContact O-N 2.69Å
836S82.3Confident85.3Confident31 Ų3156.7 Ų56.722%0.21733%0.331CS..Hα-helixtrans-65-34.317958.80000112.9A832 T833 L834 A840 F1046A832-S836 VanDerWaalsContact O-CB 3.29Å; A832-S836 WeakPolarHBondContact O-CB 3.12Å; A832-S836 PolarHBondContact O-N 2.83Å; A832-S836 PolarHBondContact O-OG 3.05Å; T833-S836 WeakPolarHBondContact CA-OG 3.29Å; T833-S836 PolarHBondContact O-OG 3.28Å; T833-S836 VanDerWaalsContact O-OG 3.07Å; L834-S836 PolarHBondContact O-N 3.1Å; S836-A840 VanDerWaalsContact O-CB 3.29Å; S836-A840 WeakPolarHBondContact O-CB 3.29Å; S836-A840 PolarHBondContact O-N 2.86Å; S836-F1046 VanDerWaalsContact CB-CE2 3.48Å; S836-F1046 VanDerWaalsContact CB-CZ 3.45Å; S836-F1046 WeakPolarHBondContact OG-CE1 3.38Å; S836-F1046 WeakPolarHBondContact OG-CE2 3.41Å; S836-F1046 WeakPolarHBondContact OG-CZ 3.31Å
837S85.1Confident84.8Confident0 Ų053.6 Ų53.60%032%0.315CS..Hα-helixtrans-64.4-44.3172.2-60.50000112.9V801 T833 L834 V835 A840 I841 F1046 S1050V801-S837 PolarHBondContact O-OG 2.83Å; T833-S837 VanDerWaalsContact O-CB 3.29Å; T833-S837 WeakPolarHBondContact O-CB 3.41Å; T833-S837 PolarHBondContact O-N 2.96Å; T833-S837 PolarHBondContact O-OG 3.22Å; L834-S837 WeakPolarHBondContact O-CB 3.15Å; L834-S837 PolarHBondContact O-N 2.93Å; V835-S837 VanDerWaalsContact C-N 3.32Å; V835-S837 PolarHBondContact O-N 3.26Å; S837-A840 PolarHBondContact O-N 3.29Å; S837-I841 WeakPolarHBondContact O-CB 3.22Å; S837-I841 VanDerWaalsContact O-CG1 3.24Å; S837-I841 WeakPolarHBondContact O-CG1 3.42Å; S837-I841 PolarHBondContact O-N 3.22Å; S837-F1046 WeakPolarHBondContact OG-CB 3.18Å; S837-S1050 PolarHBondContact O-OG 3.46Å
838I90.2Very high84.4Confident88 Ų8850.8 Ų50.845%0.45129%0.292SS..Hα-helixtrans-64.5-45.2-179.6-69.8167.6000110.2L834 V835 A840 I841 T842L834-I838 HydrophobicContact CD1-CD1 4.24Å; L834-I838 HydrophobicContact CG-CD1 4.12Å; L834-I838 WeakPolarHBondContact O-CG1 3.09Å; L834-I838 PolarHBondContact O-N 2.83Å; V835-I838 PolarHBondContact O-N 3.23Å; I838-A840 VanDerWaalsContact C-N 3.34Å; I838-A840 PolarHBondContact O-N 2.83Å; I838-I841 PolarHBondContact O-N 2.89Å; I838-T842 WeakPolarHBondContact O-CB 3.46Å; I838-T842 PolarHBondContact O-N 3.48Å; I838-T842 PolarHBondContact O-OG1 3.34Å
839V87.4Confident84.2Confident85 Ų8547.5 Ų47.552%0.51528%0.277SS..Hα-helixtrans-58.6-49.2174.6173.20000109.8V835 I841 T842 T843V835-V839 WeakPolarHBondContact O-CG2 3.46Å; V835-V839 PolarHBondContact O-N 2.69Å; V839-I841 PolarHBondContact O-N 3.26Å; V839-T842 PolarHBondContact O-N 3.14Å; V839-T843 WeakPolarHBondContact O-CB 3.44Å; V839-T843 PolarHBondContact O-N 3.36Å; V839-T843 PolarHBondContact O-OG1 3.35Å
840A82.9Confident84Confident4 Ų451.2 Ų51.23%0.03329%0.29CS..Hα-helixtrans-59.8-44.1179.100000113.2S836 S837 I838 L844 L869 F1046S836-A840 VanDerWaalsContact O-CB 3.29Å; S836-A840 WeakPolarHBondContact O-CB 3.29Å; S836-A840 PolarHBondContact O-N 2.86Å; S837-A840 PolarHBondContact O-N 3.29Å; I838-A840 VanDerWaalsContact C-N 3.34Å; I838-A840 PolarHBondContact O-N 2.83Å; A840-L844 WeakPolarHBondContact O-CB 3.5Å; A840-L844 WeakPolarHBondContact O-CG 3.18Å; A840-L844 PolarHBondContact O-N 2.65Å; A840-L869 HydrophobicContact CB-CD2 4.09Å; A840-F1046 HydrophobicContact CB-CE2 4.49Å
841I85.3Confident83.5Confident40 Ų4050.3 Ų50.321%0.20529%0.285CS..Hα-helixtrans-63-44176.9-70.3166.1000110.8S837 I838 V839 S845 I1053 V1054S837-I841 WeakPolarHBondContact O-CB 3.22Å; S837-I841 VanDerWaalsContact O-CG1 3.24Å; S837-I841 WeakPolarHBondContact O-CG1 3.42Å; S837-I841 PolarHBondContact O-N 3.22Å; I838-I841 PolarHBondContact O-N 2.89Å; V839-I841 PolarHBondContact O-N 3.26Å; I841-S845 VanDerWaalsContact O-CB 3.3Å; I841-S845 WeakPolarHBondContact O-CB 3.33Å; I841-S845 PolarHBondContact O-N 2.96Å; I841-S845 PolarHBondContact O-OG 3.45Å; I841-I1053 HydrophobicContact CD1-CD1 4.14Å; I841-I1053 HydrophobicContact CD1-CG2 4.38Å; I841-V1054 HydrophobicContact CG2-CG2 4.07Å
842T87.6Confident83Confident76 Ų7650.4 Ų50.447%0.46628%0.281SS..Hα-helixtrans-66.2-49.3-178.6-53.50000110.4I838 V839 L844 S845 V846I838-T842 WeakPolarHBondContact O-CB 3.46Å; I838-T842 PolarHBondContact O-N 3.48Å; I838-T842 PolarHBondContact O-OG1 3.34Å; V839-T842 PolarHBondContact O-N 3.14Å; T842-L844 PolarHBondContact O-N 2.9Å; T842-S845 PolarHBondContact O-N 3.37Å; T842-S845 VanDerWaalsContact O-N 3.15Å; T842-V846 HydrophobicContact CG2-CG2 4.42Å; T842-V846 WeakPolarHBondContact O-CG2 3.27Å; T842-V846 PolarHBondContact O-N 2.98Å
843T82.8Confident82.9Confident54 Ų5456.1 Ų56.133%0.33130%0.301SS..Hα-helixtrans-58.2-47.4177-57.50000111.2V839 S845 V846 M847 L869V839-T843 WeakPolarHBondContact O-CB 3.44Å; V839-T843 PolarHBondContact O-N 3.36Å; V839-T843 PolarHBondContact O-OG1 3.35Å; T843-S845 VanDerWaalsContact C-N 3.33Å; T843-S845 PolarHBondContact O-N 3.43Å; T843-V846 PolarHBondContact O-N 3.36Å; T843-M847 HydrophobicContact CG2-CG 4.41Å; T843-M847 WeakPolarHBondContact O-CB 3.46Å; T843-M847 VanDerWaalsContact O-CG 3.29Å; T843-M847 WeakPolarHBondContact O-CG 3.33Å; T843-M847 PolarHBondContact O-N 3.03Å; T843-L869 HydrophobicContact CG2-CD1 3.64Å
844L79.3Confident82.8Confident1 Ų160.4 Ų60.41%0.00532%0.323CS..Hα-helixtrans-60.3-41.5176-79.4174.4000112.7A840 T842 M847 K848 E866 L869 I1051 V1054A840-L844 WeakPolarHBondContact O-CB 3.5Å; A840-L844 WeakPolarHBondContact O-CG 3.18Å; A840-L844 PolarHBondContact O-N 2.65Å; T842-L844 PolarHBondContact O-N 2.9Å; L844-M847 PolarHBondContact O-N 3.5Å; L844-K848 WeakPolarHBondContact O-CB 3.48Å; L844-K848 WeakPolarHBondContact O-CG 3.46Å; L844-K848 PolarHBondContact O-N 3.23Å; L844-E866 HydrophobicContact CD2-CG 4.37Å; L844-L869 HydrophobicContact CD1-CD2 3.54Å; L844-L869 HydrophobicContact CD2-CB 3.8Å; L844-L869 HydrophobicContact CD2-CD2 3.78Å; L844-L869 HydrophobicContact CD2-CG 4.24Å; L844-L869 HydrophobicContact CG-CB 4.28Å; L844-L869 HydrophobicContact CG-CD1 4.24Å; L844-L869 HydrophobicContact CG-CD2 3.42Å; L844-L869 VanDerWaalsContact CG-CD2 3.42Å; L844-L869 HydrophobicContact CG-CG 4.16Å; L844-I1051 HydrophobicContact CD1-CG1 3.88Å; L844-V1054 HydrophobicContact CB-CG1 4.48Å; L844-V1054 HydrophobicContact CB-CG2 4.12Å; L844-V1054 HydrophobicContact CD1-CG2 4.31Å
845S83.1Confident82.1Confident45 Ų4559.1 Ų59.132%0.31532%0.316SS..Hα-helixtrans-67.1-43-179.2-61.50000111.6I841 T842 T843 K848 C849I841-S845 VanDerWaalsContact O-CB 3.3Å; I841-S845 WeakPolarHBondContact O-CB 3.33Å; I841-S845 PolarHBondContact O-N 2.96Å; I841-S845 PolarHBondContact O-OG 3.45Å; T842-S845 PolarHBondContact O-N 3.37Å; T842-S845 VanDerWaalsContact O-N 3.15Å; T843-S845 VanDerWaalsContact C-N 3.33Å; T843-S845 PolarHBondContact O-N 3.43Å; S845-K848 PolarHBondContact O-N 3.48Å; S845-C849 PolarHBondContact O-N 3.33Å
846V85.4Confident81.2Confident91 Ų9159 Ų5955%0.55231%0.307SS*.Hα-helixtrans-63.6-47.5175.1172.20000110.4T842 T843 K848 C849 F850T842-V846 HydrophobicContact CG2-CG2 4.42Å; T842-V846 WeakPolarHBondContact O-CG2 3.27Å; T842-V846 PolarHBondContact O-N 2.98Å; T843-V846 PolarHBondContact O-N 3.36Å; V846-K848 VanDerWaalsContact C-N 3.29Å; V846-K848 PolarHBondContact O-N 2.92Å; V846-C849 WeakPolarHBondContact O-CB 3.31Å; V846-C849 PolarHBondContact O-N 3.31Å; V846-C849 VanDerWaalsContact O-N 3.08Å; V846-F850 PolarHBondContact O-N 3.45Å
847M77.1Confident81Confident33 Ų3362.2 Ų62.216%0.16333%0.327CS..Hα-helixtrans-59.8-38.2177.2-77.4-159.577.100112.7T843 L844 F850 D851 F863 L868T843-M847 HydrophobicContact CG2-CG 4.41Å; T843-M847 WeakPolarHBondContact O-CB 3.46Å; T843-M847 VanDerWaalsContact O-CG 3.29Å; T843-M847 WeakPolarHBondContact O-CG 3.33Å; T843-M847 PolarHBondContact O-N 3.03Å; L844-M847 PolarHBondContact O-N 3.5Å; M847-F850 PolarHBondContact O-N 2.9Å; M847-D851 WeakPolarHBondContact O-CB 3.24Å; M847-D851 PolarHBondContact O-N 3.46Å; M847-F863 HydrophobicContact CE-CD1 4.35Å; M847-F863 HydrophobicContact CE-CE1 4.08Å; M847-L868 HydrophobicContact CE-CB 3.84Å; M847-L868 HydrophobicContact CE-CD2 3.17Å; M847-L868 HydrophobicContact CE-CG 4.09Å; M847-L868 HydrophobicContact SD-CB 4.13Å; M847-L868 HydrophobicContact SD-CD2 3.75Å; M847-L868 HydrophobicContact SD-CG 4.41Å
848K76.9Confident80.7Confident50 Ų5070.9 Ų70.922%0.21737%0.365CS..Hα-helixtrans-68.9-34.1174.6-76.6-173.8-179.8-170.20113L844 S845 V846 K852 E866 V1054L844-K848 WeakPolarHBondContact O-CB 3.48Å; L844-K848 WeakPolarHBondContact O-CG 3.46Å; L844-K848 PolarHBondContact O-N 3.23Å; S845-K848 PolarHBondContact O-N 3.48Å; V846-K848 VanDerWaalsContact C-N 3.29Å; V846-K848 PolarHBondContact O-N 2.92Å; K848-K852 WeakPolarHBondContact O-CB 3.2Å; K848-K852 PolarHBondContact O-N 2.63Å; K848-E866 WeakPolarHBondContact CE-OE1 3.07Å; K848-E866 IonicContact NZ-OE1 3.41Å; K848-E866 PolarHBondContact NZ-OE1 3.38Å; K848-V1054 HydrophobicContact CD-CG1 3.78Å
849C81.8Confident79.7Confident49 Ų4970 Ų7033%0.33137%0.366SS..Hα-helixtrans-66.1-44.1170.7-74.60000110.9S845 V846 D851 K852 F853S845-C849 PolarHBondContact O-N 3.33Å; V846-C849 WeakPolarHBondContact O-CB 3.31Å; V846-C849 PolarHBondContact O-N 3.31Å; V846-C849 VanDerWaalsContact O-N 3.08Å; C849-D851 PolarHBondContact O-N 2.9Å; C849-K852 PolarHBondContact O-N 2.88Å; C849-F853 HydrophobicContact CB-CD2 4.39Å; C849-F853 WeakPolarHBondContact O-CD2 3.37Å; C849-F853 PolarHBondContact O-N 3.45Å
850F82Confident78.9Confident107 Ų10768.4 Ų68.447%0.46937%0.367SS..Hα-helixtrans-62-43.3177.3-164.1-87.6000111.8V846 M847 K852 F853 I854 I855V846-F850 PolarHBondContact O-N 3.45Å; M847-F850 PolarHBondContact O-N 2.9Å; F850-K852 VanDerWaalsContact C-N 3.35Å; F850-K852 PolarHBondContact O-N 3.47Å; F850-F853 PolarHBondContact O-N 3.33Å; F850-I854 HydrophobicContact CD1-CB 4.31Å; F850-I854 HydrophobicContact CD2-CD1 3.55Å; F850-I854 HydrophobicContact CE1-CB 4.07Å; F850-I854 HydrophobicContact CE1-CD1 4.35Å; F850-I854 HydrophobicContact CE1-CG2 3.89Å; F850-I854 HydrophobicContact CE2-CB 4.45Å; F850-I854 HydrophobicContact CE2-CD1 3.2Å; F850-I854 HydrophobicContact CE2-CG1 4.37Å; F850-I854 HydrophobicContact CG-CD1 4.26Å; F850-I854 HydrophobicContact CZ-CB 4.14Å; F850-I854 HydrophobicContact CZ-CD1 3.65Å; F850-I854 HydrophobicContact CZ-CG1 4.49Å; F850-I854 HydrophobicContact CZ-CG2 3.85Å; F850-I854 WeakPolarHBondContact O-CB 3.1Å; F850-I854 PolarHBondContact O-N 2.94Å; F850-I855 HydrophobicContact CD1-CD1 3.79Å; F850-I855 HydrophobicContact CD1-CG1 3.77Å; F850-I855 HydrophobicContact CE1-CD1 4.12Å; F850-I855 HydrophobicContact CE1-CG1 3.86Å; F850-I855 PolarHBondContact O-N 2.97Å
851D74.9Confident78.2Confident8 Ų872.8 Ų72.84%0.04338%0.384CS..Iπ-helixtrans-55.4-51171.7179.856.9000110.6M847 C849 F853 I855 R856 F863M847-D851 WeakPolarHBondContact O-CB 3.24Å; M847-D851 PolarHBondContact O-N 3.46Å; C849-D851 PolarHBondContact O-N 2.9Å; D851-F853 PolarHBondContact O-N 2.9Å; D851-I855 PolarHBondContact O-N 3.43Å; D851-R856 WeakPolarHBondContact O-CB 3.33Å; D851-R856 VanDerWaalsContact O-CG 3.24Å; D851-R856 WeakPolarHBondContact O-CG 3.45Å; D851-R856 PolarHBondContact O-N 2.83Å; D851-R856 IonicContact OD2-CZ 3.28Å; D851-R856 IonicContact OD2-NE 2.65Å; D851-R856 PolarHBondContact OD2-NE 2.98Å; D851-R856 IonicContact OD2-NH2 3.47Å; D851-R856 PolarHBondContact OD2-NH2 3.33Å; D851-F863 HydrophobicContact CB-CB 4.5Å; D851-F863 WeakPolarHBondContact OD1-CB 3.47Å; D851-F863 PolarHBondContact OD1-N 3.02Å
852K75.6Confident77.4Confident127 Ų12771.4 Ų71.455%0.55238%0.377SS*.Iπ-helixtrans-61.6-44.8-178.3-171.4-178.5178.5-172.90113.8K848 C849 F850K848-K852 WeakPolarHBondContact O-CB 3.2Å; K848-K852 PolarHBondContact O-N 2.63Å; C849-K852 PolarHBondContact O-N 2.88Å; F850-K852 VanDerWaalsContact C-N 3.35Å; F850-K852 PolarHBondContact O-N 3.47Å
853F80.8Confident76.7Confident145 Ų14571.8 Ų71.864%0.63637%0.372SS*.Iπ-helixtrans-93.4-27.7-170.2-71.6-68.3000114.3C849 F850 D851C849-F853 HydrophobicContact CB-CD2 4.39Å; C849-F853 WeakPolarHBondContact O-CD2 3.37Å; C849-F853 PolarHBondContact O-N 3.45Å; F850-F853 PolarHBondContact O-N 3.33Å; D851-F853 PolarHBondContact O-N 2.9Å
854I81.1Confident76Confident94 Ų9470.6 Ų70.648%0.48237%0.366SS..Iπ-helixtrans-118-55-172.5-66.4167.6000111.3F850 P857F850-I854 HydrophobicContact CD1-CB 4.31Å; F850-I854 HydrophobicContact CD2-CD1 3.55Å; F850-I854 HydrophobicContact CE1-CB 4.07Å; F850-I854 HydrophobicContact CE1-CD1 4.35Å; F850-I854 HydrophobicContact CE1-CG2 3.89Å; F850-I854 HydrophobicContact CE2-CB 4.45Å; F850-I854 HydrophobicContact CE2-CD1 3.2Å; F850-I854 HydrophobicContact CE2-CG1 4.37Å; F850-I854 HydrophobicContact CG-CD1 4.26Å; F850-I854 HydrophobicContact CZ-CB 4.14Å; F850-I854 HydrophobicContact CZ-CD1 3.65Å; F850-I854 HydrophobicContact CZ-CG1 4.49Å; F850-I854 HydrophobicContact CZ-CG2 3.85Å; F850-I854 WeakPolarHBondContact O-CB 3.1Å; F850-I854 PolarHBondContact O-N 2.94Å; I854-P857 WeakPolarHBondContact O-CD 3.25Å
855I73.8Confident75.5Confident31 Ų3170.7 Ų70.716%0.15937%0.366CS..Iπ-helixtrans-71.9-46.5-171.8-55.1176.2000111.2F850 D851 F858 C859 F863F850-I855 HydrophobicContact CD1-CD1 3.79Å; F850-I855 HydrophobicContact CD1-CG1 3.77Å; F850-I855 HydrophobicContact CE1-CD1 4.12Å; F850-I855 HydrophobicContact CE1-CG1 3.86Å; F850-I855 PolarHBondContact O-N 2.97Å; D851-I855 PolarHBondContact O-N 3.43Å; I855-F858 PolarHBondContact O-N 3.41Å; I855-F858 VanDerWaalsContact O-N 3.08Å; I855-C859 HydrophobicContact CG2-CB 4.19Å; I855-C859 PolarHBondContact O-N 3.37Å; I855-F863 HydrophobicContact CD1-CB 3.89Å; I855-F863 HydrophobicContact CD1-CD1 4.15Å; I855-F863 HydrophobicContact CD1-CD2 4.26Å; I855-F863 HydrophobicContact CD1-CG 3.84Å; I855-F863 HydrophobicContact CG2-CB 4.15Å
856R70.5Confident74.7Confident79 Ų7969.6 Ų69.630%0.29836%0.356SS..Hα-helixtrans-60.4-46.1-176.7-75.7-178.1-170.6-138-9.6113.7D851 F858 G860 E1003D851-R856 WeakPolarHBondContact O-CB 3.33Å; D851-R856 VanDerWaalsContact O-CG 3.24Å; D851-R856 WeakPolarHBondContact O-CG 3.45Å; D851-R856 PolarHBondContact O-N 2.83Å; D851-R856 IonicContact OD2-CZ 3.28Å; D851-R856 IonicContact OD2-NE 2.65Å; D851-R856 PolarHBondContact OD2-NE 2.98Å; D851-R856 IonicContact OD2-NH2 3.47Å; D851-R856 PolarHBondContact OD2-NH2 3.33Å; R856-F858 PolarHBondContact O-N 2.98Å; R856-G860 WeakPolarHBondContact O-CA 3.45Å; R856-G860 PolarHBondContact O-N 2.99Å; R856-E1003 IonicContact CZ-OE1 2.81Å; R856-E1003 IonicContact CZ-OE2 3.35Å; R856-E1003 VanDerWaalsContact CZ-OE2 3.22Å; R856-E1003 IonicContact NH1-OE1 3.97Å; R856-E1003 PolarHBondContact NH1-OE1 3.25Å; R856-E1003 IonicContact NH1-OE2 2.88Å; R856-E1003 PolarHBondContact NH1-OE2 2.81Å; R856-E1003 IonicContact NH2-OE2 3.3Å; R856-E1003 PolarHBondContact NH2-OE2 3.28Å
857P77.4Confident73.7Confident100 Ų10066.5 Ų66.565%0.64934%0.336SS*.Hα-helixtrans-59.6-29174.6-25.134.4000113.8I854I854-P857 WeakPolarHBondContact O-CD 3.25Å
858F78.3Confident73.3Confident181 Ų18169 Ų6979%0.79435%0.35SS*.Hα-helixtrans-89.6-49.8-175.6-168.8-97.5000113.3I855 R856I855-F858 PolarHBondContact O-N 3.41Å; I855-F858 VanDerWaalsContact O-N 3.08Å; R856-F858 PolarHBondContact O-N 2.98Å
859C70.2Confident72.8Confident69 Ų6966.7 Ų66.747%0.46634%0.34SS..Hα-helixtrans-93.9-16.9-173.5-71.40000113.9I855 Y861I855-C859 HydrophobicContact CG2-CB 4.19Å; I855-C859 PolarHBondContact O-N 3.37Å; C859-Y861 WeakPolarHBondContact O-CD2 3.38Å; C859-Y861 PolarHBondContact O-N 2.98Å; C859-Y861 VanDerWaalsContact O-N 3.08Å
860G69.3Low71.9Confident53 Ų5365.1 Ų65.155%0.54633%0.329SS..SBendtrans71.7-8.5-176.700000115.9R856R856-G860 WeakPolarHBondContact O-CA 3.45Å; R856-G860 PolarHBondContact O-N 2.99Å
861Y70Confident71.1Confident96 Ų9663.2 Ų63.238%0.37632%0.319SS..SBendtrans-119.1147.5-179.5-59.4-77.2000112I651 I655 C859 S1004I651-Y861 HydrophobicContact CG2-CD1 4.25Å; I651-Y861 HydrophobicContact CG2-CE1 3.98Å; I655-Y861 HydrophobicContact CD1-CD1 4.26Å; I655-Y861 HydrophobicContact CD1-CG 4.43Å; C859-Y861 WeakPolarHBondContact O-CD2 3.38Å; C859-Y861 PolarHBondContact O-N 2.98Å; C859-Y861 VanDerWaalsContact O-N 3.08Å; Y861-S1004 WeakPolarHBondContact CE1-O 3.43Å
862P68Low70.7Confident11 Ų1165.3 Ų65.37%0.07133%0.334CS..  trans-70.1128.7176.328.5-33.4000111.4V1000 S1004P862-V1000 HydrophobicContact CG-CG1 4.03Å; P862-S1004 VanDerWaalsContact CD-OG 3.26Å; P862-S1004 WeakPolarHBondContact CD-OG 3.37Å; P862-S1004 WeakPolarHBondContact CG-OG 3.19Å
863F72.3Confident70.2Confident83 Ų8361.3 Ų61.336%0.36432%0.32SS..  trans-78.6135.1179.2-167-102.1000111.6M847 D851 I855 S865M847-F863 HydrophobicContact CE-CD1 4.35Å; M847-F863 HydrophobicContact CE-CE1 4.08Å; D851-F863 HydrophobicContact CB-CB 4.5Å; D851-F863 WeakPolarHBondContact OD1-CB 3.47Å; D851-F863 PolarHBondContact OD1-N 3.02Å; I855-F863 HydrophobicContact CD1-CB 3.89Å; I855-F863 HydrophobicContact CD1-CD1 4.15Å; I855-F863 HydrophobicContact CD1-CD2 4.26Å; I855-F863 HydrophobicContact CD1-CG 3.84Å; I855-F863 HydrophobicContact CG2-CB 4.15Å; F863-S865 PolarHBondContact O-N 3.11Å
864P68.5Low69.1Low29 Ų2955.2 Ų55.219%0.18830%0.295CS..  trans-75.369.6-179.931.9-35.7000111.7M659 E866 L867M659-P864 HydrophobicContact CG-CB 3.94Å; P864-E866 PolarHBondContact O-N 2.78Å; P864-E866 VanDerWaalsContact O-N 3.17Å; P864-L867 HydrophobicContact CB-CB 4.15Å; P864-L867 HydrophobicContact CG-CD2 4.44Å; P864-L867 WeakPolarHBondContact O-CB 3.2Å; P864-L867 PolarHBondContact O-N 3.02Å
865S68.8Low68.2Low3 Ų357 Ų572%0.02130%0.299CS..Hα-helixtrans-55.2-33-178.662.10000113.8F863 L867 L868 L869F863-S865 PolarHBondContact O-N 3.11Å; S865-L867 VanDerWaalsContact C-N 3.3Å; S865-L867 PolarHBondContact O-N 3.45Å; S865-L868 PolarHBondContact O-N 3.3Å; S865-L869 PolarHBondContact O-N 3.38Å
866E66.2Low67.7Low22 Ų2259 Ų5910%0.10332%0.315CS..Hα-helixtrans-62.2-37.2176-67.889.1162.600112.4M659 K674 L844 K848 P864 V870 I1051M659-E866 WeakPolarHBondContact CE-OE2 3.15Å; K674-E866 IonicContact NZ-OE1 3.77Å; K674-E866 PolarHBondContact NZ-OE1 3.38Å; L844-E866 HydrophobicContact CD2-CG 4.37Å; K848-E866 WeakPolarHBondContact CE-OE1 3.07Å; K848-E866 IonicContact NZ-OE1 3.41Å; K848-E866 PolarHBondContact NZ-OE1 3.38Å; P864-E866 PolarHBondContact O-N 2.78Å; P864-E866 VanDerWaalsContact O-N 3.17Å; E866-V870 WeakPolarHBondContact O-CG2 3.5Å; E866-V870 PolarHBondContact O-N 3.38Å; E866-I1051 HydrophobicContact CG-CG2 4.35Å
867L63.8Low67.1Low26 Ų2657.4 Ų57.414%0.13631%0.31CS..Hα-helixtrans-68.3-41.6-179.8-176.169.9000110.9I658 P864 S865 V870 Y871I658-L867 HydrophobicContact CG2-CD2 3.66Å; P864-L867 HydrophobicContact CB-CB 4.15Å; P864-L867 HydrophobicContact CG-CD2 4.44Å; P864-L867 WeakPolarHBondContact O-CB 3.2Å; P864-L867 PolarHBondContact O-N 3.02Å; S865-L867 VanDerWaalsContact C-N 3.3Å; S865-L867 PolarHBondContact O-N 3.45Å; L867-V870 PolarHBondContact O-N 2.88Å; L867-Y871 HydrophobicContact CD1-CD2 4.06Å; L867-Y871 HydrophobicContact CD1-CE2 3.52Å; L867-Y871 HydrophobicContact CD2-CD2 4.41Å; L867-Y871 HydrophobicContact CD2-CE2 3.85Å; L867-Y871 HydrophobicContact CG-CD2 3.69Å; L867-Y871 HydrophobicContact CG-CE2 3.42Å; L867-Y871 VanDerWaalsContact CG-CE2 3.42Å; L867-Y871 WeakPolarHBondContact O-CD2 3.49Å; L867-Y871 PolarHBondContact O-N 3.05Å
868L68.4Low66Low85 Ų8554.9 Ų54.945%0.44529%0.288SS..Hα-helixtrans-65.5-39.8178.8-164.875.9000112M847 S865 V870 Y871 S872M847-L868 HydrophobicContact CE-CB 3.84Å; M847-L868 HydrophobicContact CE-CD2 3.17Å; M847-L868 HydrophobicContact CE-CG 4.09Å; M847-L868 HydrophobicContact SD-CB 4.13Å; M847-L868 HydrophobicContact SD-CD2 3.75Å; M847-L868 HydrophobicContact SD-CG 4.41Å; S865-L868 PolarHBondContact O-N 3.3Å; L868-V870 VanDerWaalsContact C-N 3.33Å; L868-V870 PolarHBondContact O-N 3.44Å; L868-Y871 PolarHBondContact O-N 2.7Å; L868-S872 WeakPolarHBondContact O-CB 3.48Å; L868-S872 PolarHBondContact O-N 3.11Å; L868-S872 PolarHBondContact O-OG 3.12Å
869L66.7Low65.1Low3 Ų351.2 Ų51.22%0.01627%0.274CS..Hα-helixtrans-60.3-44.6175.4-174.782.7000111.3A840 T843 L844 S865 Y871 S872 V873 I1047A840-L869 HydrophobicContact CB-CD2 4.09Å; T843-L869 HydrophobicContact CG2-CD1 3.64Å; L844-L869 HydrophobicContact CD1-CD2 3.54Å; L844-L869 HydrophobicContact CD2-CB 3.8Å; L844-L869 HydrophobicContact CD2-CD2 3.78Å; L844-L869 HydrophobicContact CD2-CG 4.24Å; L844-L869 HydrophobicContact CG-CB 4.28Å; L844-L869 HydrophobicContact CG-CD1 4.24Å; L844-L869 HydrophobicContact CG-CD2 3.42Å; L844-L869 VanDerWaalsContact CG-CD2 3.42Å; L844-L869 HydrophobicContact CG-CG 4.16Å; S865-L869 PolarHBondContact O-N 3.38Å; L869-Y871 VanDerWaalsContact C-N 3.33Å; L869-S872 PolarHBondContact O-N 3.34Å; L869-S872 PolarHBondContact O-OG 2.72Å; L869-V873 WeakPolarHBondContact O-CG2 3.29Å; L869-V873 PolarHBondContact O-N 3.39Å; L869-V873 VanDerWaalsContact O-N 3.1Å; L869-I1047 HydrophobicContact CD2-CG2 4.4Å
870V63.4Low64.4Low15 Ų1552 Ų529%0.09127%0.274CS..Hα-helixtrans-65.1-42.6179.2178.10000110S671 E866 L867 L868 V873 L874 I1047S671-V870 WeakPolarHBondContact OG-CG1 3.32Å; E866-V870 WeakPolarHBondContact O-CG2 3.5Å; E866-V870 PolarHBondContact O-N 3.38Å; L867-V870 PolarHBondContact O-N 2.88Å; L868-V870 VanDerWaalsContact C-N 3.33Å; L868-V870 PolarHBondContact O-N 3.44Å; V870-V873 PolarHBondContact O-N 3.27Å; V870-L874 HydrophobicContact CG1-CD1 3.55Å; V870-L874 WeakPolarHBondContact O-CB 3.38Å; V870-L874 VanDerWaalsContact O-CD1 3.32Å; V870-L874 WeakPolarHBondContact O-CD1 3.41Å; V870-L874 PolarHBondContact O-N 3.4Å; V870-I1047 HydrophobicContact CG2-CG2 4.36Å
871Y65.1Low63.8Low68 Ų6853 Ų5327%0.26727%0.266SS..Hα-helixtrans-63.4-40.2174.9-81.4-54.3000113.7Q663 V669 L867 L868 L869 L874 F875Q663-Y871 WeakPolarHBondContact CB-OH 3.31Å; Q663-Y871 PolarHBondContact OE1-OH 3.42Å; V669-Y871 HydrophobicContact CB-CE1 4.35Å; V669-Y871 HydrophobicContact CG1-CD1 4.25Å; V669-Y871 HydrophobicContact CG1-CE1 3.78Å; V669-Y871 HydrophobicContact CG2-CE1 4.19Å; L867-Y871 HydrophobicContact CD1-CD2 4.06Å; L867-Y871 HydrophobicContact CD1-CE2 3.52Å; L867-Y871 HydrophobicContact CD2-CD2 4.41Å; L867-Y871 HydrophobicContact CD2-CE2 3.85Å; L867-Y871 HydrophobicContact CG-CD2 3.69Å; L867-Y871 HydrophobicContact CG-CE2 3.42Å; L867-Y871 VanDerWaalsContact CG-CE2 3.42Å; L867-Y871 WeakPolarHBondContact O-CD2 3.49Å; L867-Y871 PolarHBondContact O-N 3.05Å; L868-Y871 PolarHBondContact O-N 2.7Å; L869-Y871 VanDerWaalsContact C-N 3.33Å; Y871-L874 PolarHBondContact O-N 2.83Å; Y871-F875 WeakPolarHBondContact O-CB 3.45Å; Y871-F875 PolarHBondContact O-N 3.34Å
872S66.5Low63.1Low51 Ų5153.7 Ų53.736%0.35728%0.28SS..Hα-helixtrans-67.3-40.5-179.767.10000111.4L868 L869 F875 C876L868-S872 WeakPolarHBondContact O-CB 3.48Å; L868-S872 PolarHBondContact O-N 3.11Å; L868-S872 PolarHBondContact O-OG 3.12Å; L869-S872 PolarHBondContact O-N 3.34Å; L869-S872 PolarHBondContact O-OG 2.72Å; S872-F875 PolarHBondContact O-N 3.33Å; S872-C876 WeakPolarHBondContact O-CB 3.44Å; S872-C876 PolarHBondContact O-N 3.2Å; S872-C876 PolarHBondContact O-SG 2.88Å; S872-C876 VanDerWaalsContact O-SG 3.34Å
873V64.8Low62.6Low43 Ų4357.5 Ų57.526%0.26131%0.307SS..Hα-helixtrans-68.4-39.4175.6178.20000111.5L869 V870 C876 K877 I1047L869-V873 WeakPolarHBondContact O-CG2 3.29Å; L869-V873 PolarHBondContact O-N 3.39Å; L869-V873 VanDerWaalsContact O-N 3.1Å; V870-V873 PolarHBondContact O-N 3.27Å; V873-C876 PolarHBondContact O-N 3.05Å; V873-K877 PolarHBondContact O-N 3.32Å; V873-I1047 HydrophobicContact CB-CD1 4.33Å; V873-I1047 HydrophobicContact CG1-CD1 3.78Å
874L57.9Low61.5Low18 Ų1858.6 Ų58.69%0.09432%0.315CS..Hα-helixtrans-67.8-39.2173.5-97.5123.8000112.5V669 V870 Y871 C876 K877 Y878V669-L874 HydrophobicContact CB-CD2 4.37Å; V669-L874 HydrophobicContact CG1-CD1 3.96Å; V669-L874 HydrophobicContact CG1-CD2 4.05Å; V669-L874 HydrophobicContact CG2-CD2 4.2Å; V870-L874 HydrophobicContact CG1-CD1 3.55Å; V870-L874 WeakPolarHBondContact O-CB 3.38Å; V870-L874 VanDerWaalsContact O-CD1 3.32Å; V870-L874 WeakPolarHBondContact O-CD1 3.41Å; V870-L874 PolarHBondContact O-N 3.4Å; Y871-L874 PolarHBondContact O-N 2.83Å; L874-C876 VanDerWaalsContact C-N 3.35Å; L874-K877 CarbonylContact O-C 3.4Å; L874-K877 WeakPolarHBondContact O-CA 3.38Å; L874-K877 WeakPolarHBondContact O-CB 3.4Å; L874-K877 PolarHBondContact O-N 2.97Å; L874-K877 VanDerWaalsContact O-N 3.15Å; L874-Y878 HydrophobicContact CD2-CD2 4.45Å; L874-Y878 HydrophobicContact CD2-CE2 3.78Å; L874-Y878 WeakPolarHBondContact O-CD2 3.47Å; L874-Y878 PolarHBondContact O-N 2.88Å
875F62.2Low60.2Low131 Ų13162.2 Ų62.258%0.57534%0.339SS*.Hα-helixtrans-63.2-43.7175.4-177.7-97.7000110.3Y871 S872 K877 Y878 M879Y871-F875 WeakPolarHBondContact O-CB 3.45Å; Y871-F875 PolarHBondContact O-N 3.34Å; S872-F875 PolarHBondContact O-N 3.33Å; F875-K877 VanDerWaalsContact C-N 3.31Å; F875-K877 PolarHBondContact O-N 2.8Å; F875-Y878 PolarHBondContact O-N 3.11Å; F875-Y878 VanDerWaalsContact O-N 3.14Å; F875-M879 HydrophobicContact CD1-CG 4.2Å; F875-M879 HydrophobicContact CE1-CG 3.66Å; F875-M879 HydrophobicContact CE2-CG 4.48Å; F875-M879 HydrophobicContact CZ-CE 4.43Å; F875-M879 HydrophobicContact CZ-CG 3.82Å; F875-M879 WeakPolarHBondContact O-CB 3.48Å; F875-M879 PolarHBondContact O-N 2.86Å
876C63.4Low58.8Low73 Ų7367.8 Ų67.849%0.49337%0.373SS..Hα-helixtrans-57.7-42.5170.6-75.20000112S872 V873 L874 L880S872-C876 WeakPolarHBondContact O-CB 3.44Å; S872-C876 PolarHBondContact O-N 3.2Å; S872-C876 PolarHBondContact O-SG 2.88Å; S872-C876 VanDerWaalsContact O-SG 3.34Å; V873-C876 PolarHBondContact O-N 3.05Å; L874-C876 VanDerWaalsContact C-N 3.35Å; C876-L880 VanDerWaalsContact O-CB 3.32Å; C876-L880 WeakPolarHBondContact O-CB 3.25Å; C876-L880 WeakPolarHBondContact O-CD1 3.28Å; C876-L880 WeakPolarHBondContact O-CG 3.47Å; C876-L880 PolarHBondContact O-N 3.36Å
877K58.5Low57.6Low45 Ų4574.3 Ų74.320%0.19640%0.401CS..Hα-helixtrans-61.3-41.5173.9179-172.8174.7-1750112.3V873 L874 F875 L881V873-K877 PolarHBondContact O-N 3.32Å; L874-K877 CarbonylContact O-C 3.4Å; L874-K877 WeakPolarHBondContact O-CA 3.38Å; L874-K877 WeakPolarHBondContact O-CB 3.4Å; L874-K877 PolarHBondContact O-N 2.97Å; L874-K877 VanDerWaalsContact O-N 3.15Å; F875-K877 VanDerWaalsContact C-N 3.31Å; F875-K877 PolarHBondContact O-N 2.8Å; K877-L881 HydrophobicContact CG-CD1 4.29Å; K877-L881 PolarHBondContact O-N 3.22Å; K877-L881 VanDerWaalsContact O-N 3.1Å
878Y54.8Low56.6Low48 Ų4882.8 Ų82.819%0.18843%0.431CS..Hα-helixtrans-73-42.6178.8-84.2-66.1000113.1N668 L874 F875 L880 L881 V882N668-Y878 HydrophobicContact CB-CE1 3.77Å; N668-Y878 HydrophobicContact CB-CE2 3.87Å; N668-Y878 WeakPolarHBondContact CB-OH 3.4Å; N668-Y878 VanDerWaalsContact ND2-CE1 3.28Å; N668-Y878 WeakPolarHBondContact ND2-CE1 3.3Å; N668-Y878 WeakPolarHBondContact O-CE2 3.28Å; N668-Y878 VanDerWaalsContact O-CZ 3.26Å; N668-Y878 PolarHBondContact O-OH 3.36Å; L874-Y878 HydrophobicContact CD2-CD2 4.45Å; L874-Y878 HydrophobicContact CD2-CE2 3.78Å; L874-Y878 WeakPolarHBondContact O-CD2 3.47Å; L874-Y878 PolarHBondContact O-N 2.88Å; F875-Y878 PolarHBondContact O-N 3.11Å; F875-Y878 VanDerWaalsContact O-N 3.14Å; Y878-L880 VanDerWaalsContact C-N 3.28Å; Y878-L880 PolarHBondContact O-N 3.4Å; Y878-L881 HydrophobicContact CD1-CD1 4.28Å; Y878-L881 HydrophobicContact CE1-CD1 4.22Å; Y878-L881 CarbonylContact O-C 3.47Å; Y878-L881 WeakPolarHBondContact O-CA 3.4Å; Y878-L881 WeakPolarHBondContact O-CB 3.45Å; Y878-L881 PolarHBondContact O-N 3.42Å; Y878-V882 WeakPolarHBondContact O-CG2 3.45Å; Y878-V882 PolarHBondContact O-N 3.41Å
879M57.5Low55.6Low103 Ų10381.5 Ų81.551%0.50742%0.422SS..Hα-helixtrans-55.8-45.6172.2-94.3-91.613000110.8F875 L881 V882 S883F875-M879 HydrophobicContact CD1-CG 4.2Å; F875-M879 HydrophobicContact CE1-CG 3.66Å; F875-M879 HydrophobicContact CE2-CG 4.48Å; F875-M879 HydrophobicContact CZ-CE 4.43Å; F875-M879 HydrophobicContact CZ-CG 3.82Å; F875-M879 WeakPolarHBondContact O-CB 3.48Å; F875-M879 PolarHBondContact O-N 2.86Å; M879-L881 VanDerWaalsContact C-N 3.29Å; M879-L881 PolarHBondContact O-N 2.78Å; M879-V882 PolarHBondContact O-N 2.78Å; M879-S883 PolarHBondContact O-N 3.42Å; M879-S883 VanDerWaalsContact O-N 3.14Å; M879-S883 PolarHBondContact O-OG 3.25Å
880L57.1Low54.7Low87 Ų8786.9 Ų86.946%0.45546%0.455SS..Hα-helixtrans-66-26.5175.3-82.5160000114.1C876 Y878 F889C876-L880 VanDerWaalsContact O-CB 3.32Å; C876-L880 WeakPolarHBondContact O-CB 3.25Å; C876-L880 WeakPolarHBondContact O-CD1 3.28Å; C876-L880 WeakPolarHBondContact O-CG 3.47Å; C876-L880 PolarHBondContact O-N 3.36Å; Y878-L880 VanDerWaalsContact C-N 3.28Å; Y878-L880 PolarHBondContact O-N 3.4Å; L880-F889 HydrophobicContact CB-CD2 4.27Å; L880-F889 HydrophobicContact CB-CE1 4.23Å; L880-F889 HydrophobicContact CB-CE2 3.51Å; L880-F889 HydrophobicContact CB-CZ 3.5Å; L880-F889 HydrophobicContact CD1-CE1 4.15Å; L880-F889 HydrophobicContact CD1-CE2 4.49Å; L880-F889 HydrophobicContact CD1-CZ 3.66Å; L880-F889 HydrophobicContact CD2-CE2 4.08Å; L880-F889 HydrophobicContact CD2-CZ 3.88Å; L880-F889 HydrophobicContact CG-CE2 4.23Å; L880-F889 HydrophobicContact CG-CZ 3.87Å
881L55.1Low54.2Low72 Ų7288.2 Ų88.238%0.37747%0.465SS..Hα-helixtrans-78.9-28.3172.8-89.4161.2000113.3K877 Y878 M879 F889K877-L881 HydrophobicContact CG-CD1 4.29Å; K877-L881 PolarHBondContact O-N 3.22Å; K877-L881 VanDerWaalsContact O-N 3.1Å; Y878-L881 HydrophobicContact CD1-CD1 4.28Å; Y878-L881 HydrophobicContact CE1-CD1 4.22Å; Y878-L881 CarbonylContact O-C 3.47Å; Y878-L881 WeakPolarHBondContact O-CA 3.4Å; Y878-L881 WeakPolarHBondContact O-CB 3.45Å; Y878-L881 PolarHBondContact O-N 3.42Å; M879-L881 VanDerWaalsContact C-N 3.29Å; M879-L881 PolarHBondContact O-N 2.78Å; L881-F889 HydrophobicContact CD2-CB 4.17Å; L881-F889 HydrophobicContact CG-CB 4.31Å
882V55.6Low53.7Low111 Ų11187.7 Ų87.767%0.67347%0.467SS*.Hα-helixtrans-82.1-28.8-179.8172.60000111.5Y878 M879 I884Y878-V882 WeakPolarHBondContact O-CG2 3.45Å; Y878-V882 PolarHBondContact O-N 3.41Å; M879-V882 PolarHBondContact O-N 2.78Å; V882-I884 VanDerWaalsContact C-N 3.31Å; V882-I884 PolarHBondContact O-N 2.92Å
883S57.5Low53.3Low91 Ų9186.6 Ų86.664%0.63646%0.459SS*.SBendtrans-75.2-14.2177.7-480000114.6M879M879-S883 PolarHBondContact O-N 3.42Å; M879-S883 VanDerWaalsContact O-N 3.14Å; M879-S883 PolarHBondContact O-OG 3.25Å
884I49.9Very low53Low106 Ų10689.5 Ų89.554%0.54448%0.482SS..SBendtrans-140.497.5179-54.3176.3000108.1V882 V886V882-I884 VanDerWaalsContact C-N 3.31Å; V882-I884 PolarHBondContact O-N 2.92Å; I884-V886 PolarHBondContact O-N 3.32Å
885P41.2Very low53.2Low105 Ų10595.4 Ų95.468%0.68251%0.508SS*.  trans-71136.5173.530.2-29.2000108
886V39.7Very low53.5Low121 Ų12195.2 Ų95.273%0.73350%0.504SS*.SBendtrans88.997.4171.1-163.80000114.9I884I884-V886 PolarHBondContact O-N 3.32Å
887F40.5Very low53.7Low159 Ų15993.9 Ų93.970%0.69750%0.504SS*.SBendtrans76.233.8142.4-107.8-90.5000122.2
888R43.2Very low54.3Low203 Ų20392.1 Ų92.177%0.76650%0.496SS*.  trans-138.915.1173.9-88.1-166.7-169.5-177.94.9120.7S891R888-S891 WeakPolarHBondContact O-CB 2.98Å; R888-S891 PolarHBondContact O-N 3.38Å
889F46.3Very low55Low58 Ų5892.6 Ų92.625%0.25450%0.499SS..THydrogen-bonded Turntrans-91.6-11.4173.5-109.7-87.3000116.5L880 L881 S891 L892L880-F889 HydrophobicContact CB-CD2 4.27Å; L880-F889 HydrophobicContact CB-CE1 4.23Å; L880-F889 HydrophobicContact CB-CE2 3.51Å; L880-F889 HydrophobicContact CB-CZ 3.5Å; L880-F889 HydrophobicContact CD1-CE1 4.15Å; L880-F889 HydrophobicContact CD1-CE2 4.49Å; L880-F889 HydrophobicContact CD1-CZ 3.66Å; L880-F889 HydrophobicContact CD2-CE2 4.08Å; L880-F889 HydrophobicContact CD2-CZ 3.88Å; L880-F889 HydrophobicContact CG-CE2 4.23Å; L880-F889 HydrophobicContact CG-CZ 3.87Å; L881-F889 HydrophobicContact CD2-CB 4.17Å; L881-F889 HydrophobicContact CG-CB 4.31Å; F889-S891 PolarHBondContact O-N 3.09Å; F889-L892 HydrophobicContact CD1-CB 4.2Å; F889-L892 HydrophobicContact CE1-CB 4.09Å; F889-L892 HydrophobicContact CE1-CD1 4.1Å; F889-L892 HydrophobicContact CE1-CD2 4.3Å; F889-L892 HydrophobicContact CE1-CG 4.4Å; F889-L892 HydrophobicContact CZ-CD1 4.42Å; F889-L892 PolarHBondContact O-N 2.58Å
890T49.3Very low55.3Low116 Ų11690.8 Ų90.871%0.71249%0.491SS*.Hα-helixtrans-60.9-14.3154.726.20000111.9S894T890-S894 WeakPolarHBondContact O-CB 3.36Å; T890-S894 PolarHBondContact O-N 3.19Å
891S52.4Low55.4Low43 Ų4386.9 Ų86.930%0.30147%0.471SS..Hα-helixtrans-72.6-31.1174-163.20000113.4R888 F889 S893 S894 H895R888-S891 WeakPolarHBondContact O-CB 2.98Å; R888-S891 PolarHBondContact O-N 3.38Å; F889-S891 PolarHBondContact O-N 3.09Å; S891-S893 VanDerWaalsContact C-N 3.3Å; S891-S893 PolarHBondContact O-N 2.88Å; S891-S894 CarbonylContact O-C 3.47Å; S891-S894 PolarHBondContact O-N 3.25Å; S891-S894 VanDerWaalsContact O-N 3.14Å; S891-H895 WeakPolarHBondContact O-CA 3.17Å; S891-H895 WeakPolarHBondContact O-CB 3.49Å; S891-H895 PolarHBondContact O-N 3.48Å
892L53.4Low55.4Low57 Ų5789.4 Ų89.430%0.29848%0.475SS..Hα-helixtrans-64.1-38-176.8-151.487.5000112.2F889 Y896 I898 F1044F889-L892 HydrophobicContact CD1-CB 4.2Å; F889-L892 HydrophobicContact CE1-CB 4.09Å; F889-L892 HydrophobicContact CE1-CD1 4.1Å; F889-L892 HydrophobicContact CE1-CD2 4.3Å; F889-L892 HydrophobicContact CE1-CG 4.4Å; F889-L892 HydrophobicContact CZ-CD1 4.42Å; F889-L892 PolarHBondContact O-N 2.58Å; L892-Y896 HydrophobicContact CD1-CD2 3.92Å; L892-Y896 HydrophobicContact CD1-CE2 3.83Å; L892-Y896 HydrophobicContact CG-CD2 3.96Å; L892-Y896 HydrophobicContact CG-CE2 4.39Å; L892-Y896 WeakPolarHBondContact O-CB 3.45Å; L892-Y896 PolarHBondContact O-N 3.09Å; L892-I898 HydrophobicContact CD2-CD1 4.21Å; L892-F1044 HydrophobicContact CD2-CZ 4.16Å
893S59Low55.2Low28 Ų2887.7 Ų87.720%0.19647%0.466CS..Hα-helixtrans-72.7-40.1172.71790000112.1S891 G897 I898 L900S891-S893 VanDerWaalsContact C-N 3.3Å; S891-S893 PolarHBondContact O-N 2.88Å; S893-G897 CarbonylContact O-C 3.53Å; S893-G897 WeakPolarHBondContact O-CA 3.2Å; S893-G897 PolarHBondContact O-N 3.32Å; S893-I898 PolarHBondContact O-N 3.2Å; S893-I898 PolarHBondContact OG-O 3.44Å; S893-L900 VanDerWaalsContact OG-CD1 3.29Å; S893-L900 WeakPolarHBondContact OG-CD1 3.32Å
894S58.1Low54.8Low105 Ų10584.8 Ų84.873%0.73445%0.445SS*.Hα-helixtrans-75.2-26.5179.5-169.40000114.4T890 S891T890-S894 WeakPolarHBondContact O-CB 3.36Å; T890-S894 PolarHBondContact O-N 3.19Å; S891-S894 CarbonylContact O-C 3.47Å; S891-S894 PolarHBondContact O-N 3.25Å; S891-S894 VanDerWaalsContact O-N 3.14Å
895H63.6Low54.7Low141 Ų14183.6 Ų83.665%0.65344%0.444SS*.Hα-helixtrans-95.4-37.1-172.7-162.942.3000111.3S891S891-H895 WeakPolarHBondContact O-CA 3.17Å; S891-H895 WeakPolarHBondContact O-CB 3.49Å; S891-H895 PolarHBondContact O-N 3.48Å
896Y66.7Low54.8Low127 Ų12782.4 Ų82.450%0.49844%0.438SS..Hα-helixtrans-104.44175-64.4-77.8000113.4N830 A832 L892 I898N830-Y896 VanDerWaalsContact CG-O 3.24Å; N830-Y896 PolarHBondContact ND2-O 3.29Å; N830-Y896 PolarHBondContact OD1-O 3.35Å; A832-Y896 HydrophobicContact CB-CD1 3.96Å; A832-Y896 HydrophobicContact CB-CG 3.95Å; L892-Y896 HydrophobicContact CD1-CD2 3.92Å; L892-Y896 HydrophobicContact CD1-CE2 3.83Å; L892-Y896 HydrophobicContact CG-CD2 3.96Å; L892-Y896 HydrophobicContact CG-CE2 4.39Å; L892-Y896 WeakPolarHBondContact O-CB 3.45Å; L892-Y896 PolarHBondContact O-N 3.09Å; Y896-I898 VanDerWaalsContact C-N 3.26Å; Y896-I898 PolarHBondContact O-N 3.03Å
897G67.5Low54.9Low46 Ų4679.1 Ų79.147%0.47443%0.429SS..  trans63.924.1178.800000115N830 S893 K899N830-G897 PolarHBondContact ND2-O 3.03Å; S893-G897 CarbonylContact O-C 3.53Å; S893-G897 WeakPolarHBondContact O-CA 3.2Å; S893-G897 PolarHBondContact O-N 3.32Å; G897-K899 PolarHBondContact O-N 3.44Å
898I71.9Confident54.9Low7 Ų776.7 Ų76.74%0.03642%0.416CS..PPolyproline II helixtrans-73.9121.8-175.3-56.8177.9000110A832 T833 L892 S893 Y896 F1044 F1046A832-I898 HydrophobicContact CB-CD1 3.9Å; A832-I898 HydrophobicContact CB-CG1 4.09Å; T833-I898 HydrophobicContact CG2-CB 4.22Å; T833-I898 HydrophobicContact CG2-CG1 4.17Å; T833-I898 HydrophobicContact CG2-CG2 3.73Å; L892-I898 HydrophobicContact CD2-CD1 4.21Å; S893-I898 PolarHBondContact O-N 3.2Å; S893-I898 PolarHBondContact OG-O 3.44Å; Y896-I898 VanDerWaalsContact C-N 3.26Å; Y896-I898 PolarHBondContact O-N 3.03Å; I898-F1044 HydrophobicContact CB-CD1 4.23Å; I898-F1044 HydrophobicContact CB-CE1 4.2Å; I898-F1044 HydrophobicContact CG2-CB 4.37Å; I898-F1044 HydrophobicContact CG2-CD1 3.29Å; I898-F1044 HydrophobicContact CG2-CE1 3.72Å; I898-F1044 HydrophobicContact CG2-CG 4.06Å; I898-F1046 HydrophobicContact CG2-CD1 4.17Å; I898-F1046 HydrophobicContact CG2-CE1 4.4Å
899K69.3Low54.5Low59 Ų5976.1 Ų76.126%0.25742%0.421SS..PPolyproline II helixtrans-71.5127.2-177.9-62.5-172.9-178-168.80112.7G803 E805 G897 K1045G803-K899 VanDerWaalsContact O-CE 3.31Å; G803-K899 WeakPolarHBondContact O-CE 3.28Å; E805-K899 IonicContact OE1-NZ 2.75Å; E805-K899 PolarHBondContact OE1-NZ 3.06Å; G897-K899 PolarHBondContact O-N 3.44Å; K899-K1045 HydrophobicContact CB-CD 3.94Å; K899-K1045 HydrophobicContact CB-CG 4.41Å; K899-K1045 PolarHBondContact O-N 3.15Å; K899-K1045 VanDerWaalsContact O-N 3.08Å
900L65Low53.8Low64 Ų6481.7 Ų81.734%0.33545%0.448SS..BIsolated β-bridgetrans-97.1152.7-179.4-72.7165.5000112.2S893 C1042 F1044 K1045S893-L900 VanDerWaalsContact OG-CD1 3.29Å; S893-L900 WeakPolarHBondContact OG-CD1 3.32Å; L900-C1042 HydrophobicContact CB-CB 3.8Å; L900-C1042 HydrophobicContact CD1-CB 4.38Å; L900-C1042 HydrophobicContact CD2-CB 3.88Å; L900-C1042 HydrophobicContact CG-CB 4.24Å; L900-F1044 HydrophobicContact CD2-CD1 3.6Å; L900-F1044 HydrophobicContact CD2-CE1 3.71Å; L900-F1044 HydrophobicContact CD2-CG 4.48Å; L900-F1044 HydrophobicContact CG-CD1 4.45Å; L900-K1045 WeakPolarHBondContact O-CE 3.32Å
901V58.7Low52.9Low5 Ų583.3 Ų83.33%0.0345%0.452CS..PPolyproline II helixtrans-75.9132.3169.9172.50000109.2I672 M680 P686 C1042 S1043 K1045I672-V901 HydrophobicContact CD1-CB 3.81Å; I672-V901 HydrophobicContact CD1-CG1 3.8Å; I672-V901 HydrophobicContact CD1-CG2 3.6Å; M680-V901 HydrophobicContact CE-CB 4.34Å; M680-V901 HydrophobicContact CE-CG1 3.98Å; M680-V901 HydrophobicContact CE-CG2 4.06Å; M680-V901 HydrophobicContact SD-CB 4.43Å; M680-V901 HydrophobicContact SD-CG1 3.68Å; M680-V901 HydrophobicContact SD-CG2 4.06Å; P686-V901 HydrophobicContact CG-CG1 4.33Å; V901-C1042 WeakPolarHBondContact O-CB 3.09Å; V901-C1042 PolarHBondContact O-SG 3.37Å; V901-S1043 WeakPolarHBondContact CB-O 3.31Å; V901-S1043 VanDerWaalsContact CG2-O 3.27Å; V901-S1043 WeakPolarHBondContact CG2-O 3.36Å; V901-S1043 PolarHBondContact N-O 3.16Å; V901-K1045 HydrophobicContact CG2-CG 4.06Å
902R55.6Low52Low126 Ų12691.6 Ų91.648%0.47548%0.477SS..PPolyproline II helixtrans-60.5147.9-176.7-67.6-171.4-178.2-165.63.2112.2
903P49.6Very low51.1Low74 Ų7494.8 Ų94.848%0.48150%0.499SS..PPolyproline II helixtrans-61138.2178.424.2-32.4000111.2H685H685-P903 PolarHBondContact NE2-O 3.12Å
904V51.2Low49.8Very low30 Ų30101 Ų10118%0.18253%0.527CS..PPolyproline II helixtrans-86.5121.3179.9174.90000109.2L670 P686 S906L670-V904 HydrophobicContact CD2-CG2 4.42Å; P686-V904 HydrophobicContact CB-CG2 4.35Å; V904-S906 PolarHBondContact O-N 3.32Å
905P47.2Very low48.5Very low81 Ų81105.1 Ų105.153%0.52653%0.527SS..PPolyproline II helixtrans-57.4129.4175.1-22.831.8000111H685 G907H685-P905 WeakPolarHBondContact CE1-CD 3.13Å; H685-P905 WeakPolarHBondContact NE2-CD 3.17Å; P905-G907 PolarHBondContact O-N 3.02Å
906S43.2Very low47.2Very low81 Ų81102.8 Ų102.857%0.56653%0.531SS*.SBendtrans-80.368.1173.661.90000110.9V904 Y1040V904-S906 PolarHBondContact O-N 3.32Å; S906-Y1040 WeakPolarHBondContact CB-OH 3.1Å; S906-Y1040 PolarHBondContact OG-OH 3.37Å
907G42Very low45.8Very low52 Ų52103.9 Ų103.954%0.53655%0.545SS..SBendtrans97.5156.3175.600000114.4P905P905-G907 PolarHBondContact O-N 3.02Å
908Y40.2Very low44.3Very low107 Ų107104.4 Ų104.442%0.4254%0.541SS..  trans-69.9150.8173.8-96.5-103000111.1E910 E927Y908-E910 PolarHBondContact O-N 3.42Å; Y908-E927 PolarHBondContact OH-OE1 3Å
909H34.6Very low42.8Very low191 Ų191108.2 Ų108.288%0.88457%0.565SS**  trans-51.6121.9164.3-102-84.3000109.4D911H909-D911 PolarHBondContact O-N 2.95Å; H909-D911 VanDerWaalsContact O-N 3.1Å
910E30.8Very low41.2Very low175 Ų175112.8 Ų112.882%0.81859%0.589SS**  trans-64.8105.9172.8-82.4179.4153.400109.7Y908Y908-E910 PolarHBondContact O-N 3.42Å
911D30.2Very low40.2Very low150 Ų150114.6 Ų114.680%0.80259%0.594SS**  trans-78127.9154.8-102.8-22.2000109.4H909 T913H909-D911 PolarHBondContact O-N 2.95Å; H909-D911 VanDerWaalsContact O-N 3.1Å; D911-T913 PolarHBondContact O-N 3.43Å
912R35.1Very low39.7Very low217 Ų217123.8 Ų123.882%0.81963%0.628SS**THydrogen-bonded Turntrans-65.70-166.1-80.8-177.8-171.2-175.44.4116
913T33.3Very low39.6Very low125 Ų125121.7 Ų121.777%0.76763%0.625SS**THydrogen-bonded Turntrans-102.7-3-159.832.70000117.1D911D911-T913 PolarHBondContact O-N 3.43Å
914M32Very low39.8Very low158 Ų158119 Ų11978%0.77861%0.608SS**  trans-131.474.9-179.4-85.8-76.7-145.700113.1S918M914-S918 WeakPolarHBondContact O-CB 3.41Å; M914-S918 PolarHBondContact O-OG 3.39Å
915R31.5Very low40.1Very low192 Ų192120.9 Ų120.973%0.72562%0.623SS**  trans-94.4-2.6-170-129.3-177.6-70.9176.90116.7T919R915-T919 PolarHBondContact O-OG1 2.94Å
916A36.3Very low41Very low91 Ų91121.3 Ų121.375%0.75263%0.626SS**SBendtrans-103.6-24.2-170.300000116.3
917I36.5Very low42.2Very low151 Ų151119.8 Ų119.877%0.77461%0.609SS**SBendtrans-121.5-24.2-179.2-60.9176.1000112.2T919I917-T919 VanDerWaalsContact C-N 3.29Å; I917-T919 PolarHBondContact O-N 2.71Å
918S36.7Very low43.8Very low57 Ų57122.2 Ų122.240%0.39962%0.616SS.*Hα-helixtrans-71-21.4179.672.20000113.9M914 M920 R922M914-S918 WeakPolarHBondContact O-CB 3.41Å; M914-S918 PolarHBondContact O-OG 3.39Å; S918-M920 PolarHBondContact O-N 3Å; S918-R922 WeakPolarHBondContact O-CA 3.4Å; S918-R922 PolarHBondContact O-N 3.43Å
919T39.1Very low45.7Very low87 Ų87117.5 Ų117.553%0.53460%0.598SS.*Hα-helixtrans-76.5-20-170.341.90000114.2R915 I917R915-T919 PolarHBondContact O-OG1 2.94Å; I917-T919 VanDerWaalsContact C-N 3.29Å; I917-T919 PolarHBondContact O-N 2.71Å
920M37Very low47.9Very low155 Ų155111.5 Ų111.576%0.76457%0.571SS**Hα-helixtrans-94.3-31.9178.4-164.5174.6-90.600113.3S918S918-M920 PolarHBondContact O-N 3Å
921F42.6Very low50.5Low102 Ų102109.2 Ų109.245%0.44756%0.558SS.*Hα-helixtrans-119-8.7-174.5-66.4-78.5000116.3I923 F1016 H1020F921-I923 HydrophobicContact CB-CD1 3.84Å; F921-I923 HydrophobicContact CB-CG1 3.76Å; F921-I923 PolarHBondContact O-N 3.35Å; F921-F1016 HydrophobicContact CE1-CZ 4.41Å; F921-H1020 PolarHBondContact O-CE1 3.48Å; F921-H1020 VanDerWaalsContact O-CE1 3.31Å
922R49.2Very low53.1Low198 Ų198107.7 Ų107.775%0.74755%0.546SS*.  trans39.145.3179.3-72.6-168.2177.8-154.7-2.4114.1S918S918-R922 WeakPolarHBondContact O-CA 3.4Å; S918-R922 PolarHBondContact O-N 3.43Å
923I54.3Low55.5Low81 Ų8197.4 Ų97.442%0.41551%0.507SS..PPolyproline II helixtrans-74.5139.6174.8-59.9177.6000107.4F695 F921 S925 F986F695-I923 HydrophobicContact CE1-CG2 4.47Å; F695-I923 HydrophobicContact CZ-CG2 3.92Å; F921-I923 HydrophobicContact CB-CD1 3.84Å; F921-I923 HydrophobicContact CB-CG1 3.76Å; F921-I923 PolarHBondContact O-N 3.35Å; I923-S925 PolarHBondContact O-N 3Å; I923-F986 HydrophobicContact CG2-CD1 3.72Å; I923-F986 HydrophobicContact CG2-CE1 3.48Å; I923-F986 VanDerWaalsContact CG2-CE1 3.48Å; I923-F986 HydrophobicContact CG2-CZ 4.43Å
924P53.9Low58.2Low17 Ų1793 Ų9311%0.1148%0.478CS..PPolyproline II helixtrans-52.8135.1172.320.1-29.6000109.6F695 F986F695-P924 HydrophobicContact CE2-CG 4.32Å; P924-F986 HydrophobicContact CG-CB 4.06Å; P924-F986 HydrophobicContact CG-CD1 4.16Å
925S55.5Low60.9Low70 Ų7090 Ų9049%0.4948%0.478SS..PPolyproline II helixtrans-57.9134.4175.541.30000108.8I923 E927I923-S925 PolarHBondContact O-N 3Å; S925-E927 PolarHBondContact O-N 3.44Å; S925-E927 VanDerWaalsContact O-N 3.09Å
926P67Low63.5Low91 Ų9184.1 Ų84.159%0.59147%0.466SS*.PPolyproline II helixtrans-62.6117179.822.8-30.5000109.9L985P926-L985 CarbonylContact C-O 3.55Å; P926-L985 WeakPolarHBondContact CA-O 3.46Å; P926-L985 HydrophobicContact CB-CB 4.34Å
927E68Low66Low48 Ų4880.1 Ų80.122%0.22443%0.432CS..PPolyproline II helixtrans-95.3122.1176.6-74.9171.3-177.500108.3Y908 S925 L985 S987Y908-E927 PolarHBondContact OH-OE1 3Å; S925-E927 PolarHBondContact O-N 3.44Å; S925-E927 VanDerWaalsContact O-N 3.09Å; E927-L985 PolarHBondContact N-O 3.43Å; E927-S987 PolarHBondContact OE2-OG 2.54Å
928P75.2Confident68.4Low103 Ų10377.9 Ų77.967%0.66942%0.417SS*.PPolyproline II helixtrans-67.5138.5178.927-32.6000110.7
929P81Confident70.7Confident9 Ų979 Ų796%0.05843%0.425CS..PPolyproline II helixtrans-69.4139.917827.5-33.5000111.5A753 F756 F931 F934A753-P929 HydrophobicContact CB-CB 4.41Å; F756-P929 HydrophobicContact CB-CB 3.99Å; F756-P929 HydrophobicContact CB-CG 4.03Å; F756-P929 HydrophobicContact CD1-CG 4.24Å; F756-P929 HydrophobicContact CD2-CG 3.75Å; F756-P929 HydrophobicContact CE2-CG 4.26Å; F756-P929 HydrophobicContact CG-CB 4.22Å; F756-P929 HydrophobicContact CG-CG 3.73Å; P929-F931 HydrophobicContact CG-CE1 4.26Å; P929-F931 HydrophobicContact CG-CZ 4.01Å; P929-F931 WeakPolarHBondContact O-CD2 3.49Å; P929-F931 PolarHBondContact O-N 2.77Å; P929-F931 VanDerWaalsContact O-N 3.1Å; P929-F934 HydrophobicContact CB-CZ 4.37Å
930H81.4Confident72.8Confident65 Ų6577.5 Ų77.530%0.30141%0.413SS..  trans-74.498.1176.7-72.5-65.2000111.9E749 H932 I933E749-H930 IonicContact OE2-CD2 2.88Å; E749-H930 PolarHBondContact OE2-CD2 2.77Å; E749-H930 IonicContact OE2-CE1 2.65Å; E749-H930 IonicContact OE2-NE2 2.6Å; E749-H930 PolarHBondContact OE2-NE2 2.87Å; H930-H932 VanDerWaalsContact C-N 3.27Å; H930-H932 PolarHBondContact O-N 2.81Å; H930-I933 HydrophobicContact CB-CD1 3.9Å; H930-I933 HydrophobicContact CB-CG1 4.31Å
931F84.4Confident75.4Confident127 Ų12770.1 Ų70.156%0.55738%0.377SS*.G310 helixtrans-63.3-25.1-176.6-64.1-74.1000114.8F756 P929 I933 F934F756-F931 HydrophobicContact CD1-CE1 4.37Å; F756-F931 AromaticContact CE1-CE1 3.83Å; F756-F931 HydrophobicContact CE1-CE1 3.83Å; F756-F931 HydrophobicContact CZ-CE1 4.22Å; P929-F931 HydrophobicContact CG-CE1 4.26Å; P929-F931 HydrophobicContact CG-CZ 4.01Å; P929-F931 WeakPolarHBondContact O-CD2 3.49Å; P929-F931 PolarHBondContact O-N 2.77Å; P929-F931 VanDerWaalsContact O-N 3.1Å; F931-I933 PolarHBondContact O-N 3.36Å; F931-F934 HydrophobicContact CD1-CD2 4.03Å; F931-F934 HydrophobicContact CD1-CE1 4.37Å; F931-F934 AromaticContact CD1-CE2 3.39Å; F931-F934 HydrophobicContact CD1-CE2 3.39Å; F931-F934 AromaticContact CD1-CZ 3.57Å; F931-F934 HydrophobicContact CD1-CZ 3.57Å; F931-F934 AromaticContact CE1-CE2 3.83Å; F931-F934 HydrophobicContact CE1-CE2 3.83Å; F931-F934 AromaticContact CE1-CZ 3.93Å; F931-F934 HydrophobicContact CE1-CZ 3.93Å; F931-F934 HydrophobicContact CG-CE2 4.48Å; F931-F934 HydrophobicContact CG-CZ 4.47Å; F931-F934 WeakPolarHBondContact O-CB 3.19Å; F931-F934 WeakPolarHBondContact O-CG 3.38Å; F931-F934 PolarHBondContact O-N 2.97Å; F931-F934 VanDerWaalsContact O-N 3.11Å
932H85Confident77.5Confident118 Ų11868.1 Ų68.155%0.54637%0.37SS..G310 helixtrans-63.2-25.4-175.472.1-89.2000113.6H930 F934H930-H932 VanDerWaalsContact C-N 3.27Å; H930-H932 PolarHBondContact O-N 2.81Å; H932-F934 VanDerWaalsContact C-N 3.33Å
933I86.5Confident78.9Confident1 Ų159.9 Ų59.91%0.00534%0.343CS..G310 helixtrans-82.1-15-178-42.1167.9000111.2L731 I732 H930 F931 A935 S936 I937L731-I933 HydrophobicContact CB-CG2 4.4Å; L731-I933 HydrophobicContact CD1-CG2 3.75Å; I732-I933 HydrophobicContact CD1-CD1 3.44Å; I732-I933 VanDerWaalsContact CD1-CD1 3.44Å; I732-I933 HydrophobicContact CG1-CD1 3.26Å; I732-I933 HydrophobicContact CG1-CG1 4.14Å; H930-I933 HydrophobicContact CB-CD1 3.9Å; H930-I933 HydrophobicContact CB-CG1 4.31Å; F931-I933 PolarHBondContact O-N 3.36Å; I933-A935 VanDerWaalsContact C-N 3.27Å; I933-A935 PolarHBondContact O-N 3.18Å; I933-A935 VanDerWaalsContact O-N 3.15Å; I933-S936 PolarHBondContact O-N 2.81Å; I933-S936 PolarHBondContact O-OG 3.46Å; I933-I937 HydrophobicContact CG2-CD1 4.27Å; I933-I937 HydrophobicContact CG2-CG1 4.43Å; I933-I937 HydrophobicContact CG2-CG2 3.87Å; I933-I937 WeakPolarHBondContact O-CG1 3.43Å; I933-I937 PolarHBondContact O-N 2.84Å
934F90Very high80.5Confident33 Ų3356.2 Ų56.215%0.14532%0.324CS..Hα-helixtrans-59.3-37.7-166.9-7816.4000112.8A753 F756 L757 P929 F931 H932 S936 I937 F938A753-F934 HydrophobicContact CB-CE1 4.01Å; F756-F934 HydrophobicContact CB-CZ 4.43Å; F756-F934 AromaticContact CD1-CE2 3.69Å; F756-F934 HydrophobicContact CD1-CE2 3.69Å; F756-F934 AromaticContact CD1-CZ 3.5Å; F756-F934 HydrophobicContact CD1-CZ 3.5Å; F756-F934 VanDerWaalsContact CD1-CZ 3.5Å; F756-F934 HydrophobicContact CE1-CE2 4Å; F756-F934 HydrophobicContact CE1-CZ 4.17Å; F756-F934 HydrophobicContact CG-CZ 4.3Å; L757-F934 HydrophobicContact CD1-CD2 3.9Å; L757-F934 HydrophobicContact CD1-CE2 4.29Å; L757-F934 HydrophobicContact CD1-CG 4.33Å; L757-F934 HydrophobicContact CD2-CB 4.2Å; L757-F934 HydrophobicContact CD2-CG 4.23Å; P929-F934 HydrophobicContact CB-CZ 4.37Å; F931-F934 HydrophobicContact CD1-CD2 4.03Å; F931-F934 HydrophobicContact CD1-CE1 4.37Å; F931-F934 AromaticContact CD1-CE2 3.39Å; F931-F934 HydrophobicContact CD1-CE2 3.39Å; F931-F934 AromaticContact CD1-CZ 3.57Å; F931-F934 HydrophobicContact CD1-CZ 3.57Å; F931-F934 AromaticContact CE1-CE2 3.83Å; F931-F934 HydrophobicContact CE1-CE2 3.83Å; F931-F934 AromaticContact CE1-CZ 3.93Å; F931-F934 HydrophobicContact CE1-CZ 3.93Å; F931-F934 HydrophobicContact CG-CE2 4.48Å; F931-F934 HydrophobicContact CG-CZ 4.47Å; F931-F934 WeakPolarHBondContact O-CB 3.19Å; F931-F934 WeakPolarHBondContact O-CG 3.38Å; F931-F934 PolarHBondContact O-N 2.97Å; F931-F934 VanDerWaalsContact O-N 3.11Å; H932-F934 VanDerWaalsContact C-N 3.33Å; F934-S936 VanDerWaalsContact C-N 3.33Å; F934-S936 PolarHBondContact O-N 3.15Å; F934-I937 PolarHBondContact O-N 3.14Å; F934-F938 WeakPolarHBondContact O-CB 3.12Å; F934-F938 PolarHBondContact O-N 3.04Å
935A86.9Confident82.2Confident95 Ų9555.4 Ų55.479%0.78532%0.319SS*.Hα-helixtrans-61.6-39.7178.600000112.5I933I933-A935 VanDerWaalsContact C-N 3.27Å; I933-A935 PolarHBondContact O-N 3.18Å; I933-A935 VanDerWaalsContact O-N 3.15Å
936S86.4Confident83.4Confident68 Ų6853.9 Ų53.948%0.47631%0.307SS..Hα-helixtrans-78.6-29.8-177.855.30000113.3L731 I933 F934L731-S936 VanDerWaalsContact CD1-OG 3.28Å; L731-S936 WeakPolarHBondContact CD1-OG 3.5Å; I933-S936 PolarHBondContact O-N 2.81Å; I933-S936 PolarHBondContact O-OG 3.46Å; F934-S936 VanDerWaalsContact C-N 3.33Å; F934-S936 PolarHBondContact O-N 3.15Å
937I88.8Confident84Confident6 Ų649.8 Ų49.83%0.03128%0.28CS..Hα-helixtrans-980.5-179.265.6177.8000113.6V724 L754 L757 I933 F934 S939 D940 A941V724-I937 HydrophobicContact CG1-CB 4.16Å; V724-I937 HydrophobicContact CG1-CG2 3.67Å; L754-I937 HydrophobicContact CB-CD1 4.3Å; L754-I937 HydrophobicContact CD1-CD1 4.3Å; L757-I937 HydrophobicContact CD2-CD1 4.43Å; L757-I937 HydrophobicContact CD2-CG1 3.93Å; I933-I937 HydrophobicContact CG2-CD1 4.27Å; I933-I937 HydrophobicContact CG2-CG1 4.43Å; I933-I937 HydrophobicContact CG2-CG2 3.87Å; I933-I937 WeakPolarHBondContact O-CG1 3.43Å; I933-I937 PolarHBondContact O-N 2.84Å; F934-I937 PolarHBondContact O-N 3.14Å; I937-S939 PolarHBondContact O-N 3.48Å; I937-D940 PolarHBondContact O-N 3.46Å; I937-A941 WeakPolarHBondContact O-CB 3.28Å; I937-A941 PolarHBondContact O-N 3.39Å
938F88.6Confident84.8Confident105 Ų10547.5 Ų47.546%0.46127%0.269SS..Hα-helixtrans-57.4-44.6-174.2-175.9-99000113.3L757 I761 F934 A941 L942L757-F938 HydrophobicContact CD1-CD2 4.28Å; L757-F938 HydrophobicContact CD2-CB 4.48Å; L757-F938 HydrophobicContact CD2-CD2 4.27Å; I761-F938 HydrophobicContact CD1-CD2 4.37Å; I761-F938 HydrophobicContact CD1-CE2 4Å; I761-F938 HydrophobicContact CG1-CE2 4.35Å; F934-F938 WeakPolarHBondContact O-CB 3.12Å; F934-F938 PolarHBondContact O-N 3.04Å; F938-A941 PolarHBondContact O-N 3.23Å; F938-L942 WeakPolarHBondContact O-CB 3.37Å; F938-L942 PolarHBondContact O-N 2.89Å
939S83.2Confident85.3Confident81 Ų8142.6 Ų42.657%0.56624%0.237SC*.Hα-helixtrans-62.6-45.6179.8-175.10000111.8I937 L942 C943I937-S939 PolarHBondContact O-N 3.48Å; S939-L942 PolarHBondContact O-N 3.17Å; S939-C943 PolarHBondContact O-N 3.1Å; S939-C943 VanDerWaalsContact O-N 3.13Å; S939-C943 PolarHBondContact O-SG 2.92Å
940D84.1Confident85.2Confident54 Ų5442.4 Ų42.429%0.28924%0.236SC..Hα-helixtrans-65.1-41.7177-67.4-35.4000110.9V724 I937 C943 I944V724-D940 HydrophobicContact CG2-CB 3.67Å; I937-D940 PolarHBondContact O-N 3.46Å; D940-C943 PolarHBondContact O-N 2.77Å; D940-I944 WeakPolarHBondContact O-CB 3.31Å; D940-I944 WeakPolarHBondContact O-CD1 3.34Å; D940-I944 WeakPolarHBondContact O-CG1 3.46Å; D940-I944 PolarHBondContact O-N 3.31Å
941A90.6Very high85Confident0 Ų039.5 Ų39.50%022%0.223CC..Hα-helixtrans-62.9-43.8177.500000112.4L754 L757 V758 I761 I937 F938 C943 I944 A945L754-A941 HydrophobicContact CD1-CB 3.79Å; L757-A941 HydrophobicContact CB-CB 4.2Å; L757-A941 HydrophobicContact CD2-CB 3.64Å; L757-A941 HydrophobicContact CG-CB 3.77Å; V758-A941 HydrophobicContact CG2-CB 4.02Å; V758-A941 WeakPolarHBondContact CG2-O 3.46Å; I761-A941 HydrophobicContact CD1-CB 4.11Å; I937-A941 WeakPolarHBondContact O-CB 3.28Å; I937-A941 PolarHBondContact O-N 3.39Å; F938-A941 PolarHBondContact O-N 3.23Å; A941-C943 VanDerWaalsContact C-N 3.33Å; A941-C943 PolarHBondContact O-N 2.76Å; A941-I944 PolarHBondContact O-N 3Å; A941-A945 WeakPolarHBondContact O-CB 3.29Å; A941-A945 PolarHBondContact O-N 3.29Å
942L87Confident84.9Confident60 Ų6033.4 Ų33.431%0.31420%0.196SC..Hα-helixtrans-59.2-46.4175.7179.264.7000111.1I761 F765 F938 S939 A945 V946I761-L942 HydrophobicContact CD1-CB 4.19Å; I761-L942 HydrophobicContact CG2-CD1 3.77Å; F765-L942 HydrophobicContact CE2-CD1 4.48Å; F765-L942 HydrophobicContact CZ-CD1 3.88Å; F938-L942 WeakPolarHBondContact O-CB 3.37Å; F938-L942 PolarHBondContact O-N 2.89Å; S939-L942 PolarHBondContact O-N 3.17Å; L942-A945 WeakPolarHBondContact O-CB 3.47Å; L942-A945 PolarHBondContact O-N 2.94Å; L942-V946 WeakPolarHBondContact O-CG2 3.47Å; L942-V946 PolarHBondContact O-N 3.1Å; L942-V946 VanDerWaalsContact O-N 3.12Å
943C79.4Confident84.7Confident26 Ų2628 Ų2818%0.17617%0.172CC..Hα-helixtrans-63.9-46.4178.8-67.80000112S939 D940 A941 A945 V946 V947 L1093S939-C943 PolarHBondContact O-N 3.1Å; S939-C943 VanDerWaalsContact O-N 3.13Å; S939-C943 PolarHBondContact O-SG 2.92Å; D940-C943 PolarHBondContact O-N 2.77Å; A941-C943 VanDerWaalsContact C-N 3.33Å; A941-C943 PolarHBondContact O-N 2.76Å; C943-A945 VanDerWaalsContact C-N 3.3Å; C943-A945 PolarHBondContact O-N 3.09Å; C943-V946 PolarHBondContact O-N 3.25Å; C943-V947 WeakPolarHBondContact O-CG2 3.28Å; C943-V947 PolarHBondContact O-N 3.31Å; C943-L1093 HydrophobicContact CB-CD1 3.45Å; C943-L1093 VanDerWaalsContact CB-CD1 3.45Å; C943-L1093 HydrophobicContact CB-CG 4.09Å
944I87.1Confident84.1Confident3 Ų328.8 Ų28.82%0.01518%0.177CC..Hα-helixtrans-62.6-39.6177.6-70.1165.1000110.7I717 M720 T721 V724 L754 V758 D940 A941 V946 V947 S948 V990I717-I944 HydrophobicContact CG2-CG2 4.35Å; M720-I944 HydrophobicContact CB-CD1 4.39Å; M720-I944 HydrophobicContact CB-CG1 4.12Å; M720-I944 HydrophobicContact CE-CG1 3.9Å; T721-I944 HydrophobicContact CG2-CD1 3.9Å; V724-I944 HydrophobicContact CG2-CD1 4.41Å; L754-I944 HydrophobicContact CD1-CD1 4.33Å; L754-I944 HydrophobicContact CD2-CD1 4.06Å; V758-I944 HydrophobicContact CG2-CB 4.22Å; V758-I944 HydrophobicContact CG2-CG2 3.96Å; D940-I944 WeakPolarHBondContact O-CB 3.31Å; D940-I944 WeakPolarHBondContact O-CD1 3.34Å; D940-I944 WeakPolarHBondContact O-CG1 3.46Å; D940-I944 PolarHBondContact O-N 3.31Å; A941-I944 PolarHBondContact O-N 3Å; I944-V946 PolarHBondContact O-N 2.91Å; I944-V947 PolarHBondContact O-N 3.44Å; I944-S948 WeakPolarHBondContact O-CB 3.44Å; I944-S948 PolarHBondContact O-N 3.05Å; I944-V990 HydrophobicContact CG2-CB 4.19Å; I944-V990 HydrophobicContact CG2-CG1 3.71Å; I944-V990 HydrophobicContact CG2-CG2 4.14Å
945A89.3Confident83.4Confident0 Ų028.2 Ų28.20%018%0.175CC..Hα-helixtrans-59.6-46.6177.600000112.2V758 I761 Q762 A941 L942 C943 F949V758-A945 HydrophobicContact CG1-CB 3.98Å; I761-A945 HydrophobicContact CB-CB 4.24Å; I761-A945 HydrophobicContact CG2-CB 3.9Å; Q762-A945 HydrophobicContact CG-CB 3.93Å; Q762-A945 PolarHBondContact NE2-O 3.34Å; A941-A945 WeakPolarHBondContact O-CB 3.29Å; A941-A945 PolarHBondContact O-N 3.29Å; L942-A945 WeakPolarHBondContact O-CB 3.47Å; L942-A945 PolarHBondContact O-N 2.94Å; C943-A945 VanDerWaalsContact C-N 3.3Å; C943-A945 PolarHBondContact O-N 3.09Å; A945-F949 WeakPolarHBondContact O-CB 3.23Å; A945-F949 PolarHBondContact O-N 3.18Å; A945-F949 VanDerWaalsContact O-N 3.15Å
946V81.6Confident83.2Confident39 Ų3923.7 Ų23.724%0.23614%0.138CC..Hα-helixtrans-66-50.8178174.80000110.8F765 F777 L942 C943 I944 S948 F949 S950 L1096F765-V946 HydrophobicContact CE2-CG2 4.27Å; F777-V946 HydrophobicContact CZ-CG1 4.31Å; L942-V946 WeakPolarHBondContact O-CG2 3.47Å; L942-V946 PolarHBondContact O-N 3.1Å; L942-V946 VanDerWaalsContact O-N 3.12Å; C943-V946 PolarHBondContact O-N 3.25Å; I944-V946 PolarHBondContact O-N 2.91Å; V946-S948 VanDerWaalsContact C-N 3.32Å; V946-S948 PolarHBondContact O-N 3.32Å; V946-F949 PolarHBondContact O-N 3.31Å; V946-S950 WeakPolarHBondContact O-CB 3.45Å; V946-S950 PolarHBondContact O-N 3.05Å; V946-S950 PolarHBondContact O-OG 3.37Å; V946-L1096 HydrophobicContact CG1-CD2 4.14Å
947V78.7Confident82.7Confident4 Ų423.8 Ų23.82%0.02413%0.13CC..Hα-helixtrans-59.9-43.3-179.4172.30000111.4I716 M720 F785 C943 I944 F949 S950 L951 L1096I716-V947 HydrophobicContact CG2-CG1 4.47Å; M720-V947 HydrophobicContact CE-CG2 4.21Å; M720-V947 HydrophobicContact SD-CB 4.45Å; M720-V947 HydrophobicContact SD-CG1 4.17Å; M720-V947 HydrophobicContact SD-CG2 4.37Å; F785-V947 HydrophobicContact CZ-CG1 4.19Å; C943-V947 WeakPolarHBondContact O-CG2 3.28Å; C943-V947 PolarHBondContact O-N 3.31Å; I944-V947 PolarHBondContact O-N 3.44Å; V947-F949 VanDerWaalsContact C-N 3.35Å; V947-F949 PolarHBondContact O-N 3.01Å; V947-S950 PolarHBondContact O-N 2.68Å; V947-L951 HydrophobicContact CG1-CD1 3.95Å; V947-L951 HydrophobicContact CG1-CG 4.43Å; V947-L951 WeakPolarHBondContact O-CB 3.47Å; V947-L951 WeakPolarHBondContact O-CG 3.21Å; V947-L951 PolarHBondContact O-N 2.92Å; V947-L1096 HydrophobicContact CG2-CD2 3.81Å
948S85.9Confident82Confident0 Ų028.7 Ų28.70%016%0.155CC..Hα-helixtrans-59.8-43.3177.8178.70000112.5I944 V946 S952 S991I944-S948 WeakPolarHBondContact O-CB 3.44Å; I944-S948 PolarHBondContact O-N 3.05Å; V946-S948 VanDerWaalsContact C-N 3.32Å; V946-S948 PolarHBondContact O-N 3.32Å; S948-S952 PolarHBondContact O-N 2.96Å; S948-S952 PolarHBondContact O-OG 3.35Å; S948-S991 PolarHBondContact OG-O 3.07Å
949F86Confident81.7Confident0 Ų024 Ų240%014%0.135CC..Hα-helixtrans-69.2-48.5177.1173.4-92.3000111.3A774 A945 V946 V947 L951 S952 V953 A969 E972 W973 Y976A774-F949 HydrophobicContact CB-CE1 3.81Å; A774-F949 HydrophobicContact CB-CZ 4.02Å; A945-F949 WeakPolarHBondContact O-CB 3.23Å; A945-F949 PolarHBondContact O-N 3.18Å; A945-F949 VanDerWaalsContact O-N 3.15Å; V946-F949 PolarHBondContact O-N 3.31Å; V947-F949 VanDerWaalsContact C-N 3.35Å; V947-F949 PolarHBondContact O-N 3.01Å; F949-L951 PolarHBondContact O-N 3.18Å; F949-S952 PolarHBondContact O-N 2.93Å; F949-S952 VanDerWaalsContact O-N 3.11Å; F949-V953 HydrophobicContact CD1-CG2 4.18Å; F949-V953 HydrophobicContact CD2-CG2 3.89Å; F949-V953 HydrophobicContact CE1-CB 4.33Å; F949-V953 HydrophobicContact CE1-CG2 3.76Å; F949-V953 HydrophobicContact CE2-CG2 3.4Å; F949-V953 VanDerWaalsContact CE2-CG2 3.4Å; F949-V953 HydrophobicContact CG-CG2 4.26Å; F949-V953 HydrophobicContact CZ-CB 4.34Å; F949-V953 HydrophobicContact CZ-CG2 3.35Å; F949-V953 PolarHBondContact O-N 3.49Å; F949-A969 HydrophobicContact CZ-CB 4.36Å; F949-E972 HydrophobicContact CE2-CB 3.92Å; F949-W973 HydrophobicContact CB-CD2 4.44Å; F949-W973 HydrophobicContact CB-CE3 3.98Å; F949-W973 HydrophobicContact CB-CH2 3.51Å; F949-W973 HydrophobicContact CB-CZ2 4.04Å; F949-W973 HydrophobicContact CB-CZ3 3.5Å; F949-W973 HydrophobicContact CD1-CD2 4.1Å; F949-W973 AromaticContact CD1-CE2 3.46Å; F949-W973 VanDerWaalsContact CD1-CE2 3.46Å; F949-W973 HydrophobicContact CD1-CE3 4.43Å; F949-W973 AromaticContact CD1-CH2 3.6Å; F949-W973 HydrophobicContact CD1-CH2 3.6Å; F949-W973 AromaticContact CD1-CZ2 3.18Å; F949-W973 HydrophobicContact CD1-CZ2 3.18Å; F949-W973 HydrophobicContact CD1-CZ3 4.22Å; F949-W973 HydrophobicContact CD2-CB 4.46Å; F949-W973 AromaticContact CD2-CD2 3.34Å; F949-W973 HydrophobicContact CD2-CD2 3.34Å; F949-W973 AromaticContact CD2-CE2 3.61Å; F949-W973 AromaticContact CD2-CE3 3.55Å; F949-W973 HydrophobicContact CD2-CE3 3.55Å; F949-W973 AromaticContact CD2-CG 3.77Å; F949-W973 HydrophobicContact CD2-CG 3.77Å; F949-W973 HydrophobicContact CD2-CH2 4.18Å; F949-W973 HydrophobicContact CD2-CZ2 4.02Å; F949-W973 AromaticContact CD2-CZ3 3.98Å; F949-W973 HydrophobicContact CD2-CZ3 3.98Å; F949-W973 HydrophobicContact CE1-CD2 4.14Å; F949-W973 AromaticContact CE1-CE2 3.36Å; F949-W973 HydrophobicContact CE1-CH2 4.33Å; F949-W973 AromaticContact CE1-CZ2 3.48Å; F949-W973 HydrophobicContact CE1-CZ2 3.48Å; F949-W973 VanDerWaalsContact CE1-CZ2 3.48Å; F949-W973 AromaticContact CE1-NE1 3.4Å; F949-W973 HydrophobicContact CE2-CB 4.07Å; F949-W973 AromaticContact CE2-CD1 3.45Å; F949-W973 VanDerWaalsContact CE2-CD1 3.45Å; F949-W973 AromaticContact CE2-CD2 3.41Å; F949-W973 HydrophobicContact CE2-CD2 3.41Å; F949-W973 VanDerWaalsContact CE2-CD2 3.41Å; F949-W973 AromaticContact CE2-CE2 3.54Å; F949-W973 HydrophobicContact CE2-CE3 4.12Å; F949-W973 AromaticContact CE2-CG 3.35Å; F949-W973 HydrophobicContact CE2-CG 3.35Å; F949-W973 HydrophobicContact CE2-CZ2 4.28Å; F949-W973 AromaticContact CE2-NE1 3.57Å; F949-W973 AromaticContact CG-CD2 3.7Å; F949-W973 HydrophobicContact CG-CD2 3.7Å; F949-W973 AromaticContact CG-CE2 3.57Å; F949-W973 AromaticContact CG-CE3 3.73Å; F949-W973 HydrophobicContact CG-CE3 3.73Å; F949-W973 AromaticContact CG-CH2 3.49Å; F949-W973 HydrophobicContact CG-CH2 3.49Å; F949-W973 VanDerWaalsContact CG-CH2 3.49Å; F949-W973 AromaticContact CG-CZ2 3.47Å; F949-W973 HydrophobicContact CG-CZ2 3.47Å; F949-W973 VanDerWaalsContact CG-CZ2 3.47Å; F949-W973 AromaticContact CG-CZ3 3.65Å; F949-W973 HydrophobicContact CG-CZ3 3.65Å; F949-W973 AromaticContact CZ-CD1 3.37Å; F949-W973 AromaticContact CZ-CD2 3.8Å; F949-W973 HydrophobicContact CZ-CD2 3.8Å; F949-W973 AromaticContact CZ-CE2 3.39Å; F949-W973 AromaticContact CZ-CG 3.78Å; F949-W973 HydrophobicContact CZ-CG 3.78Å; F949-W973 HydrophobicContact CZ-CZ2 4.01Å; F949-W973 AromaticContact CZ-NE1 3.13Å; F949-Y976 HydrophobicContact CB-CD2 4.3Å; F949-Y976 AromaticContact CD2-CD2 3.64Å; F949-Y976 HydrophobicContact CD2-CD2 3.64Å; F949-Y976 AromaticContact CD2-CE2 3.74Å; F949-Y976 HydrophobicContact CD2-CE2 3.74Å; F949-Y976 HydrophobicContact CE2-CE2 4.37Å; F949-Y976 HydrophobicContact CG-CD2 4.4Å; F949-Y976 HydrophobicContact CG-CE2 4.46Å
950S78.2Confident81.7Confident5 Ų520.5 Ų20.54%0.03511%0.111CC..Hα-helixtrans-57.4-45.9-178.6-62.30000111.8F777 V946 V947 S952 S954F777-S950 WeakPolarHBondContact CE1-OG 3.27Å; F777-S950 WeakPolarHBondContact CE2-OG 3.43Å; F777-S950 WeakPolarHBondContact CZ-OG 3.44Å; V946-S950 WeakPolarHBondContact O-CB 3.45Å; V946-S950 PolarHBondContact O-N 3.05Å; V946-S950 PolarHBondContact O-OG 3.37Å; V947-S950 PolarHBondContact O-N 2.68Å; S950-S952 VanDerWaalsContact C-N 3.33Å; S950-S952 PolarHBondContact O-N 3.12Å; S950-S954 VanDerWaalsContact O-CB 3.28Å; S950-S954 WeakPolarHBondContact O-CB 3.22Å; S950-S954 PolarHBondContact O-N 3.42Å; S950-S954 VanDerWaalsContact O-N 3.09Å; S950-S954 PolarHBondContact O-OG 3.1Å
951L76.5Confident81.5Confident4 Ų425.3 Ų25.32%0.02113%0.129CC..Hα-helixtrans-60.3-43.1177.1-74.8171.2000112.1F714 I716 F785 T786 V947 F949 M955F714-L951 HydrophobicContact CD1-CD1 3.9Å; F714-L951 HydrophobicContact CE1-CD1 3.89Å; I716-L951 HydrophobicContact CD1-CD1 4.25Å; I716-L951 HydrophobicContact CD1-CD2 4.5Å; F785-L951 HydrophobicContact CD1-CD2 4.46Å; F785-L951 HydrophobicContact CE1-CD2 3.88Å; F785-L951 HydrophobicContact CE1-CG 4.32Å; T786-L951 HydrophobicContact CG2-CD2 3.92Å; V947-L951 HydrophobicContact CG1-CD1 3.95Å; V947-L951 HydrophobicContact CG1-CG 4.43Å; V947-L951 WeakPolarHBondContact O-CB 3.47Å; V947-L951 WeakPolarHBondContact O-CG 3.21Å; V947-L951 PolarHBondContact O-N 2.92Å; F949-L951 PolarHBondContact O-N 3.18Å; L951-M955 WeakPolarHBondContact O-CG 3.31Å; L951-M955 PolarHBondContact O-N 3.5Å
952S83.1Confident81Confident0 Ų031 Ų310%015%0.154CC..Hα-helixtrans-74.6-45-174-52.10000112.3I709 S948 F949 S950 S954 M955 G956 Y976 S992 A993I709-S952 WeakPolarHBondContact CD1-O 3.2Å; S948-S952 PolarHBondContact O-N 2.96Å; S948-S952 PolarHBondContact O-OG 3.35Å; F949-S952 PolarHBondContact O-N 2.93Å; F949-S952 VanDerWaalsContact O-N 3.11Å; S950-S952 VanDerWaalsContact C-N 3.33Å; S950-S952 PolarHBondContact O-N 3.12Å; S952-S954 VanDerWaalsContact C-N 3.28Å; S952-S954 PolarHBondContact O-N 3.12Å; S952-M955 PolarHBondContact O-N 2.69Å; S952-G956 PolarHBondContact O-N 2.96Å; S952-Y976 VanDerWaalsContact CB-CE2 3.45Å; S952-Y976 WeakPolarHBondContact CB-OH 3.32Å; S952-S992 WeakPolarHBondContact OG-CB 3.33Å; S952-A993 PolarHBondContact OG-N 3.37Å
953V80.8Confident80.8Confident4 Ų431.6 Ų31.62%0.02415%0.152CC..Hα-helixtrans-63.2-36175.6168.60000111.6A774 F949 G956 K957 E972 Y976A774-V953 HydrophobicContact CB-CG1 4.36Å; F949-V953 HydrophobicContact CD1-CG2 4.18Å; F949-V953 HydrophobicContact CD2-CG2 3.89Å; F949-V953 HydrophobicContact CE1-CB 4.33Å; F949-V953 HydrophobicContact CE1-CG2 3.76Å; F949-V953 HydrophobicContact CE2-CG2 3.4Å; F949-V953 VanDerWaalsContact CE2-CG2 3.4Å; F949-V953 HydrophobicContact CG-CG2 4.26Å; F949-V953 HydrophobicContact CZ-CB 4.34Å; F949-V953 HydrophobicContact CZ-CG2 3.35Å; F949-V953 PolarHBondContact O-N 3.49Å; V953-G956 CarbonylContact O-C 3.56Å; V953-G956 WeakPolarHBondContact O-CA 3.37Å; V953-G956 PolarHBondContact O-N 3.25Å; V953-K957 HydrophobicContact CG1-CD 4.31Å; V953-K957 HydrophobicContact CG1-CG 4.28Å; V953-K957 WeakPolarHBondContact O-CG 3.41Å; V953-K957 PolarHBondContact O-N 3.04Å; V953-E972 HydrophobicContact CG2-CB 4.01Å; V953-E972 HydrophobicContact CG2-CG 4.32Å; V953-Y976 HydrophobicContact CG2-CE2 4.32Å
954S74.4Confident81Confident18 Ų1838.9 Ų38.913%0.12618%0.184CC..Hα-helixtrans-64.5-46.1177-56.80000112.4I782 S950 S952 G956 K957 L958I782-S954 WeakPolarHBondContact CD1-OG 3.2Å; I782-S954 WeakPolarHBondContact CG1-OG 3.11Å; S950-S954 VanDerWaalsContact O-CB 3.28Å; S950-S954 WeakPolarHBondContact O-CB 3.22Å; S950-S954 PolarHBondContact O-N 3.42Å; S950-S954 VanDerWaalsContact O-N 3.09Å; S950-S954 PolarHBondContact O-OG 3.1Å; S952-S954 VanDerWaalsContact C-N 3.28Å; S952-S954 PolarHBondContact O-N 3.12Å; S954-G956 VanDerWaalsContact C-N 3.27Å; S954-G956 PolarHBondContact O-N 3.03Å; S954-K957 PolarHBondContact O-N 3.49Å; S954-L958 PolarHBondContact O-N 2.9Å; S954-L958 VanDerWaalsContact O-N 3.1Å
955M75.6Confident80.9Confident20 Ų2040.6 Ų40.610%0.09919%0.19CC..Hα-helixtrans-61.7-40.6173.4-70.1-170.5-161.700110.9F714 L951 S952 L958 F959 A993 L995F714-M955 HydrophobicContact CE2-CE 3.82Å; F714-M955 HydrophobicContact CZ-CE 4.23Å; L951-M955 WeakPolarHBondContact O-CG 3.31Å; L951-M955 PolarHBondContact O-N 3.5Å; S952-M955 PolarHBondContact O-N 2.69Å; M955-L958 WeakPolarHBondContact O-CB 3.11Å; M955-L958 PolarHBondContact O-N 3.48Å; M955-F959 WeakPolarHBondContact O-CD2 3.42Å; M955-F959 PolarHBondContact O-N 3.36Å; M955-A993 HydrophobicContact CB-CB 4.37Å; M955-A993 HydrophobicContact SD-CB 3.82Å; M955-L995 HydrophobicContact CE-CB 3.68Å; M955-L995 HydrophobicContact CE-CD1 4.22Å; M955-L995 HydrophobicContact CE-CG 4.49Å; M955-L995 HydrophobicContact CG-CD1 4.43Å; M955-L995 HydrophobicContact SD-CB 4Å; M955-L995 HydrophobicContact SD-CD1 4.06Å
956G81.4Confident80.4Confident0 Ų047 Ų470%023%0.229CC..Hα-helixtrans-54.8-55.7172.800000112.4S952 V953 S954 L958 F959 A960 I967S952-G956 PolarHBondContact O-N 2.96Å; V953-G956 CarbonylContact O-C 3.56Å; V953-G956 WeakPolarHBondContact O-CA 3.37Å; V953-G956 PolarHBondContact O-N 3.25Å; S954-G956 VanDerWaalsContact C-N 3.27Å; S954-G956 PolarHBondContact O-N 3.03Å; G956-L958 PolarHBondContact O-N 3.01Å; G956-F959 PolarHBondContact O-N 3.15Å; G956-A960 VanDerWaalsContact O-CB 3.25Å; G956-A960 WeakPolarHBondContact O-CB 3.07Å; G956-A960 PolarHBondContact O-N 2.77Å; G956-I967 WeakPolarHBondContact O-CD1 3.35Å
957K76.6Confident80.5Confident70 Ų7046.4 Ų46.430%0.30422%0.224SC..Hα-helixtrans-56.8-36.2-178.9-76.3-178-178.7179.90111.5A774 V953 S954 A960 K961A774-K957 PolarHBondContact O-NZ 3.24Å; V953-K957 HydrophobicContact CG1-CD 4.31Å; V953-K957 HydrophobicContact CG1-CG 4.28Å; V953-K957 WeakPolarHBondContact O-CG 3.41Å; V953-K957 PolarHBondContact O-N 3.04Å; S954-K957 PolarHBondContact O-N 3.49Å; K957-A960 PolarHBondContact O-N 3.28Å; K957-K961 WeakPolarHBondContact O-CB 3.16Å; K957-K961 PolarHBondContact O-N 2.81Å
958L74.1Confident80.7Confident109 Ų10949.3 Ų49.357%0.57124%0.24SC*.Hα-helixtrans-61.4-48.1174.9-172.473.7000112S954 M955 G956 K962S954-L958 PolarHBondContact O-N 2.9Å; S954-L958 VanDerWaalsContact O-N 3.1Å; M955-L958 WeakPolarHBondContact O-CB 3.11Å; M955-L958 PolarHBondContact O-N 3.48Å; G956-L958 PolarHBondContact O-N 3.01Å; L958-K962 WeakPolarHBondContact O-CB 3.08Å; L958-K962 PolarHBondContact O-N 3.49Å
959F81.9Confident80.7Confident6 Ų650.1 Ų50.13%0.02625%0.247CC..Hα-helixtrans-70.7-37.9177.5-67.8-62000112.4H708 M955 G956 K961 K962 Y963 Y965 S1002H708-F959 HydrophobicContact CB-CB 4.2Å; H708-F959 HydrophobicContact CB-CD1 4.18Å; H708-F959 HydrophobicContact CB-CD2 4.25Å; H708-F959 HydrophobicContact CB-CG 3.96Å; M955-F959 WeakPolarHBondContact O-CD2 3.42Å; M955-F959 PolarHBondContact O-N 3.36Å; G956-F959 PolarHBondContact O-N 3.15Å; F959-K961 VanDerWaalsContact C-N 3.3Å; F959-K961 PolarHBondContact O-N 3.01Å; F959-K962 PolarHBondContact O-N 3.43Å; F959-K962 VanDerWaalsContact O-N 3.12Å; F959-Y963 HydrophobicContact CD1-CE2 4.16Å; F959-Y963 WeakPolarHBondContact O-CD2 3.32Å; F959-Y963 PolarHBondContact O-N 2.88Å; F959-Y965 HydrophobicContact CB-CE1 4.47Å; F959-Y965 VanDerWaalsContact CB-OH 3.31Å; F959-Y965 WeakPolarHBondContact CB-OH 3.08Å; F959-Y965 WeakPolarHBondContact O-CE1 3.45Å; F959-S1002 WeakPolarHBondContact CE1-OG 3.41Å
960A83.4Confident80.7Confident8 Ų852 Ų527%0.06626%0.256CS..Hα-helixtrans-57.2-44.3174.700000111.2G956 K957 H964 Y965 I967G956-A960 VanDerWaalsContact O-CB 3.25Å; G956-A960 WeakPolarHBondContact O-CB 3.07Å; G956-A960 PolarHBondContact O-N 2.77Å; K957-A960 PolarHBondContact O-N 3.28Å; A960-H964 VanDerWaalsContact O-CA 3.3Å; A960-H964 WeakPolarHBondContact O-CA 3.38Å; A960-H964 PolarHBondContact O-N 2.73Å; A960-Y965 CarbonylContact C-O 3.55Å; A960-Y965 HydrophobicContact CB-CD2 3.94Å; A960-Y965 HydrophobicContact CB-CE2 3.8Å; A960-Y965 HydrophobicContact CB-CG 4.41Å; A960-Y965 VanDerWaalsContact CB-O 3.27Å; A960-Y965 WeakPolarHBondContact CB-O 3.49Å; A960-Y965 PolarHBondContact O-N 3.46Å; A960-I967 HydrophobicContact CB-CD1 3.9Å; A960-I967 HydrophobicContact CB-CG1 3.93Å
961K79.1Confident81.2Confident156 Ų15651.8 Ų51.868%0.67826%0.255SS*.Hα-helixtrans-67.2-39174-170.4174.9-176.3174.50112.6K957 F959K957-K961 WeakPolarHBondContact O-CB 3.16Å; K957-K961 PolarHBondContact O-N 2.81Å; F959-K961 VanDerWaalsContact C-N 3.3Å; F959-K961 PolarHBondContact O-N 3.01Å
962K81.5Confident81.9Confident119 Ų11951.6 Ų51.652%0.51725%0.254SS..Hα-helixtrans-69.4-38.3-179.9-174.9-178.5175.4-159.60113.1L958 F959L958-K962 WeakPolarHBondContact O-CB 3.08Å; L958-K962 PolarHBondContact O-N 3.49Å; F959-K962 PolarHBondContact O-N 3.43Å; F959-K962 VanDerWaalsContact O-N 3.12Å
963Y83Confident82.3Confident72 Ų7251.8 Ų51.828%0.28226%0.255SS..THydrogen-bonded Turntrans-111.915.4-175.7-63.2-83.7000113.3H708 F959 Y965 S1002H708-Y963 AromaticContact CE1-CD2 3.49Å; H708-Y963 VanDerWaalsContact CE1-CD2 3.49Å; H708-Y963 WeakPolarHBondContact CE1-CD2 3.48Å; H708-Y963 AromaticContact CE1-CE2 3.91Å; H708-Y963 AromaticContact CE1-CG 3.63Å; H708-Y963 AromaticContact ND1-CD2 3.77Å; H708-Y963 AromaticContact NE2-CD2 3.83Å; H708-Y963 AromaticContact NE2-CE2 3.79Å; H708-Y963 AromaticContact NE2-CZ 3.92Å; F959-Y963 HydrophobicContact CD1-CE2 4.16Å; F959-Y963 WeakPolarHBondContact O-CD2 3.32Å; F959-Y963 PolarHBondContact O-N 2.88Å; Y963-Y965 PolarHBondContact O-N 3.2Å; Y963-S1002 PolarHBondContact OH-O 3.34Å
964H83.7Confident82.8Confident180 Ų18052.6 Ų52.683%0.83326%0.257SS*.THydrogen-bonded Turntrans53.844.2174.4-56.7-71.2000115.6A960A960-H964 VanDerWaalsContact O-CA 3.3Å; A960-H964 WeakPolarHBondContact O-CA 3.38Å; A960-H964 PolarHBondContact O-N 2.73Å
965Y83.9Confident83.6Confident38 Ų3851.8 Ų51.815%0.14925%0.251CS..  trans-117.2167.9168.965.9-91.7000111.3S706 H708 F959 A960 Y963 I967S706-Y965 PolarHBondContact OG-OH 3.42Å; H708-Y965 AromaticContact CE1-CE1 3.94Å; H708-Y965 AromaticContact ND1-CE1 3.55Å; H708-Y965 AromaticContact ND1-CZ 3.89Å; H708-Y965 PolarHBondContact ND1-OH 3.36Å; F959-Y965 HydrophobicContact CB-CE1 4.47Å; F959-Y965 VanDerWaalsContact CB-OH 3.31Å; F959-Y965 WeakPolarHBondContact CB-OH 3.08Å; F959-Y965 WeakPolarHBondContact O-CE1 3.45Å; A960-Y965 CarbonylContact C-O 3.55Å; A960-Y965 HydrophobicContact CB-CD2 3.94Å; A960-Y965 HydrophobicContact CB-CE2 3.8Å; A960-Y965 HydrophobicContact CB-CG 4.41Å; A960-Y965 VanDerWaalsContact CB-O 3.27Å; A960-Y965 WeakPolarHBondContact CB-O 3.49Å; A960-Y965 PolarHBondContact O-N 3.46Å; Y963-Y965 PolarHBondContact O-N 3.2Å; Y965-I967 HydrophobicContact CD2-CG1 4.2Å; Y965-I967 HydrophobicContact CE2-CD1 4.06Å; Y965-I967 HydrophobicContact CE2-CG1 3.78Å
966V78.3Confident84.3Confident136 Ų13650.8 Ų50.882%0.82425%0.247SC*.  trans-110.4138.3-179.5-176.90000109.6
967I83.4Confident84.9Confident26 Ų2650.8 Ų50.813%0.13325%0.247CC..  trans-102.8129.2173.3-70.8178.6000109.3G956 A960 Y965 E972G956-I967 WeakPolarHBondContact O-CD1 3.35Å; A960-I967 HydrophobicContact CB-CD1 3.9Å; A960-I967 HydrophobicContact CB-CG1 3.93Å; Y965-I967 HydrophobicContact CD2-CG1 4.2Å; Y965-I967 HydrophobicContact CE2-CD1 4.06Å; Y965-I967 HydrophobicContact CE2-CG1 3.78Å; I967-E972 HydrophobicContact CG2-CG 3.62Å
968D84.4Confident85.7Confident65 Ų6549.4 Ų49.435%0.34824%0.242SC..  trans-89.2108.1173.4180-6.9000109.4T705 D970 Q971 E972T705-D968 HydrophobicContact CG2-CB 4.33Å; D968-D970 VanDerWaalsContact C-N 3.3Å; D968-D970 PolarHBondContact O-N 3.04Å; D968-D970 WeakPolarHBondContact OD1-CB 3.5Å; D968-D970 PolarHBondContact OD1-N 2.96Å; D968-Q971 HydrophobicContact CB-CB 3.93Å; D968-Q971 PolarHBondContact O-N 3.35Å; D968-Q971 PolarHBondContact OD1-N 2.67Å; D968-E972 WeakPolarHBondContact O-CG 3.39Å; D968-E972 PolarHBondContact O-N 2.94Å
969A85.4Confident86.5Confident17 Ų1744.2 Ų44.214%0.1422%0.215CC..Hα-helixtrans-62.4-34-178.800000113.3G771 A774 F949 Q971 E972 W973G771-A969 WeakPolarHBondContact O-CB 3.25Å; A774-A969 HydrophobicContact CB-CB 3.54Å; F949-A969 HydrophobicContact CZ-CB 4.36Å; A969-Q971 VanDerWaalsContact C-N 3.35Å; A969-E972 PolarHBondContact O-N 3.24Å; A969-W973 VanDerWaalsContact O-CD1 3.29Å; A969-W973 PolarHBondContact O-N 3.49Å; A969-W973 VanDerWaalsContact O-N 3.1Å
970D86.6Confident87.1Confident38 Ų3844 Ų4420%0.20321%0.214CC..Hα-helixtrans-68.3-39.8177.8-74.6-40.1000110.7R769 G771 D968 W973 R974R769-D970 VanDerWaalsContact CA-OD1 3.22Å; R769-D970 WeakPolarHBondContact CA-OD1 3.28Å; G771-D970 WeakPolarHBondContact CA-OD1 3.47Å; G771-D970 PolarHBondContact N-OD1 3.5Å; D968-D970 VanDerWaalsContact C-N 3.3Å; D968-D970 PolarHBondContact O-N 3.04Å; D968-D970 WeakPolarHBondContact OD1-CB 3.5Å; D968-D970 PolarHBondContact OD1-N 2.96Å; D970-W973 PolarHBondContact O-N 3.35Å; D970-R974 PolarHBondContact O-N 3.39Å; D970-R974 PolarHBondContact O-NH1 3.43Å
971Q88.8Confident87.5Confident2 Ų245.1 Ų45.11%0.00922%0.219CC..Hα-helixtrans-68.9-36.6176.2-174.858.824.400111.9T629 Y630 P632 F703 T705 D968 A969 R974 A975T629-Q971 PolarHBondContact O-OE1 3.3Å; Y630-Q971 PolarHBondContact O-NE2 3.38Å; P632-Q971 VanDerWaalsContact CD-NE2 3.34Å; P632-Q971 HydrophobicContact CG-CG 3.86Å; F703-Q971 PolarHBondContact O-NE2 3.36Å; T705-Q971 HydrophobicContact CG2-CB 3.7Å; T705-Q971 HydrophobicContact CG2-CG 3.35Å; D968-Q971 HydrophobicContact CB-CB 3.93Å; D968-Q971 PolarHBondContact O-N 3.35Å; D968-Q971 PolarHBondContact OD1-N 2.67Å; A969-Q971 VanDerWaalsContact C-N 3.35Å; Q971-R974 PolarHBondContact O-N 3.22Å; Q971-R974 VanDerWaalsContact OE1-CZ 3.26Å; Q971-A975 VanDerWaalsContact O-CB 3.29Å; Q971-A975 WeakPolarHBondContact O-CB 3.5Å; Q971-A975 PolarHBondContact O-N 3.12Å
972E90.6Very high88.1Confident0 Ų040 Ų400%020%0.201CC..Hα-helixtrans-64.2-39.1174.4-68-62.213300112.3Y700 T705 S706 F949 V953 I967 D968 A969 R974 A975 Y976Y700-E972 WeakPolarHBondContact CE2-OE2 3.47Å; Y700-E972 VanDerWaalsContact OH-CD 3.29Å; Y700-E972 PolarHBondContact OH-OE1 3.47Å; Y700-E972 PolarHBondContact OH-OE2 2.96Å; T705-E972 WeakPolarHBondContact CA-OE1 3.03Å; T705-E972 WeakPolarHBondContact CB-OE1 3.36Å; T705-E972 PolarHBondContact N-OE1 2.99Å; T705-E972 PolarHBondContact OG1-OE1 3.43Å; S706-E972 PolarHBondContact N-OE1 3.26Å; F949-E972 HydrophobicContact CE2-CB 3.92Å; V953-E972 HydrophobicContact CG2-CB 4.01Å; V953-E972 HydrophobicContact CG2-CG 4.32Å; I967-E972 HydrophobicContact CG2-CG 3.62Å; D968-E972 WeakPolarHBondContact O-CG 3.39Å; D968-E972 PolarHBondContact O-N 2.94Å; A969-E972 PolarHBondContact O-N 3.24Å; E972-R974 VanDerWaalsContact C-N 3.34Å; E972-R974 PolarHBondContact O-N 3.36Å; E972-A975 PolarHBondContact O-N 2.73Å; E972-Y976 HydrophobicContact CB-CE2 4.19Å; E972-Y976 WeakPolarHBondContact O-CD2 3.29Å; E972-Y976 VanDerWaalsContact O-CG 3.25Å; E972-Y976 PolarHBondContact O-N 3.05Å; E972-Y976 VanDerWaalsContact OE2-CE1 3.28Å; E972-Y976 WeakPolarHBondContact OE2-CE1 3.4Å; E972-Y976 PolarHBondContact OE2-OH 3.06Å
973W90.5Very high88.4Confident3 Ų334.4 Ų34.41%0.01118%0.176CC..Hα-helixtrans-59.3-47174-84.7119.5000111.2Q762 F765 G766 F949 A969 D970 G977Q762-W973 HydrophobicContact CB-CE3 4.01Å; Q762-W973 HydrophobicContact CB-CZ3 4.32Å; Q762-W973 HydrophobicContact CG-CE3 3.9Å; Q762-W973 HydrophobicContact CG-CZ3 3.76Å; F765-W973 HydrophobicContact CB-CD2 3.9Å; F765-W973 HydrophobicContact CB-CE3 3.94Å; F765-W973 HydrophobicContact CB-CG 4.31Å; F765-W973 HydrophobicContact CB-CZ3 4.31Å; F765-W973 HydrophobicContact CD2-CE3 4.26Å; F765-W973 AromaticContact CD2-CH2 3.58Å; F765-W973 HydrophobicContact CD2-CH2 3.58Å; F765-W973 AromaticContact CD2-CZ2 3.84Å; F765-W973 HydrophobicContact CD2-CZ2 3.84Å; F765-W973 AromaticContact CD2-CZ3 3.78Å; F765-W973 HydrophobicContact CD2-CZ3 3.78Å; F765-W973 HydrophobicContact CE2-CH2 4.24Å; F765-W973 HydrophobicContact CG-CZ3 4.47Å; G766-W973 VanDerWaalsContact CA-CB 3.43Å; F949-W973 HydrophobicContact CB-CD2 4.44Å; F949-W973 HydrophobicContact CB-CE3 3.98Å; F949-W973 HydrophobicContact CB-CH2 3.51Å; F949-W973 HydrophobicContact CB-CZ2 4.04Å; F949-W973 HydrophobicContact CB-CZ3 3.5Å; F949-W973 HydrophobicContact CD1-CD2 4.1Å; F949-W973 AromaticContact CD1-CE2 3.46Å; F949-W973 VanDerWaalsContact CD1-CE2 3.46Å; F949-W973 HydrophobicContact CD1-CE3 4.43Å; F949-W973 AromaticContact CD1-CH2 3.6Å; F949-W973 HydrophobicContact CD1-CH2 3.6Å; F949-W973 AromaticContact CD1-CZ2 3.18Å; F949-W973 HydrophobicContact CD1-CZ2 3.18Å; F949-W973 HydrophobicContact CD1-CZ3 4.22Å; F949-W973 HydrophobicContact CD2-CB 4.46Å; F949-W973 AromaticContact CD2-CD2 3.34Å; F949-W973 HydrophobicContact CD2-CD2 3.34Å; F949-W973 AromaticContact CD2-CE2 3.61Å; F949-W973 AromaticContact CD2-CE3 3.55Å; F949-W973 HydrophobicContact CD2-CE3 3.55Å; F949-W973 AromaticContact CD2-CG 3.77Å; F949-W973 HydrophobicContact CD2-CG 3.77Å; F949-W973 HydrophobicContact CD2-CH2 4.18Å; F949-W973 HydrophobicContact CD2-CZ2 4.02Å; F949-W973 AromaticContact CD2-CZ3 3.98Å; F949-W973 HydrophobicContact CD2-CZ3 3.98Å; F949-W973 HydrophobicContact CE1-CD2 4.14Å; F949-W973 AromaticContact CE1-CE2 3.36Å; F949-W973 HydrophobicContact CE1-CH2 4.33Å; F949-W973 AromaticContact CE1-CZ2 3.48Å; F949-W973 HydrophobicContact CE1-CZ2 3.48Å; F949-W973 VanDerWaalsContact CE1-CZ2 3.48Å; F949-W973 AromaticContact CE1-NE1 3.4Å; F949-W973 HydrophobicContact CE2-CB 4.07Å; F949-W973 AromaticContact CE2-CD1 3.45Å; F949-W973 VanDerWaalsContact CE2-CD1 3.45Å; F949-W973 AromaticContact CE2-CD2 3.41Å; F949-W973 HydrophobicContact CE2-CD2 3.41Å; F949-W973 VanDerWaalsContact CE2-CD2 3.41Å; F949-W973 AromaticContact CE2-CE2 3.54Å; F949-W973 HydrophobicContact CE2-CE3 4.12Å; F949-W973 AromaticContact CE2-CG 3.35Å; F949-W973 HydrophobicContact CE2-CG 3.35Å; F949-W973 HydrophobicContact CE2-CZ2 4.28Å; F949-W973 AromaticContact CE2-NE1 3.57Å; F949-W973 AromaticContact CG-CD2 3.7Å; F949-W973 HydrophobicContact CG-CD2 3.7Å; F949-W973 AromaticContact CG-CE2 3.57Å; F949-W973 AromaticContact CG-CE3 3.73Å; F949-W973 HydrophobicContact CG-CE3 3.73Å; F949-W973 AromaticContact CG-CH2 3.49Å; F949-W973 HydrophobicContact CG-CH2 3.49Å; F949-W973 VanDerWaalsContact CG-CH2 3.49Å; F949-W973 AromaticContact CG-CZ2 3.47Å; F949-W973 HydrophobicContact CG-CZ2 3.47Å; F949-W973 VanDerWaalsContact CG-CZ2 3.47Å; F949-W973 AromaticContact CG-CZ3 3.65Å; F949-W973 HydrophobicContact CG-CZ3 3.65Å; F949-W973 AromaticContact CZ-CD1 3.37Å; F949-W973 AromaticContact CZ-CD2 3.8Å; F949-W973 HydrophobicContact CZ-CD2 3.8Å; F949-W973 AromaticContact CZ-CE2 3.39Å; F949-W973 AromaticContact CZ-CG 3.78Å; F949-W973 HydrophobicContact CZ-CG 3.78Å; F949-W973 HydrophobicContact CZ-CZ2 4.01Å; F949-W973 AromaticContact CZ-NE1 3.13Å; A969-W973 VanDerWaalsContact O-CD1 3.29Å; A969-W973 PolarHBondContact O-N 3.49Å; A969-W973 VanDerWaalsContact O-N 3.1Å; D970-W973 PolarHBondContact O-N 3.35Å; W973-G977 PolarHBondContact O-N 3.16Å
974R91.3Very high88.7Confident22 Ų2231 Ų318%0.08316%0.163CC..Hα-helixtrans-62.2-45.8176.5-69.3-173.3-67.9-88.62.3111.5L763 G766 D970 Q971 E972 G977 I978L763-R974 HydrophobicContact CD1-CB 4.44Å; L763-R974 HydrophobicContact CD1-CG 4.42Å; G766-R974 PolarHBondContact O-NH1 3.25Å; G766-R974 VanDerWaalsContact O-NH1 3.1Å; D970-R974 PolarHBondContact O-N 3.39Å; D970-R974 PolarHBondContact O-NH1 3.43Å; Q971-R974 PolarHBondContact O-N 3.22Å; Q971-R974 VanDerWaalsContact OE1-CZ 3.26Å; E972-R974 VanDerWaalsContact C-N 3.34Å; E972-R974 PolarHBondContact O-N 3.36Å; R974-G977 PolarHBondContact O-N 2.96Å; R974-I978 VanDerWaalsContact O-CG1 3.28Å; R974-I978 WeakPolarHBondContact O-CG1 3.48Å; R974-I978 PolarHBondContact O-N 3.45Å
975A91.9Very high88.9Confident0 Ų025.2 Ų25.20%014%0.138CC..Hα-helixtrans-60.3-50.3-179.500000111.4Y700 F703 Q971 E972 G977 I978 V979Y700-A975 HydrophobicContact CD2-CB 4.39Å; Y700-A975 HydrophobicContact CE2-CB 4.29Å; F703-A975 HydrophobicContact CB-CB 3.8Å; F703-A975 WeakPolarHBondContact O-CB 3.5Å; Q971-A975 VanDerWaalsContact O-CB 3.29Å; Q971-A975 WeakPolarHBondContact O-CB 3.5Å; Q971-A975 PolarHBondContact O-N 3.12Å; E972-A975 PolarHBondContact O-N 2.73Å; A975-G977 PolarHBondContact O-N 3.02Å; A975-I978 PolarHBondContact O-N 2.99Å; A975-V979 VanDerWaalsContact O-CB 3.31Å; A975-V979 WeakPolarHBondContact O-CB 3.33Å; A975-V979 WeakPolarHBondContact O-CG2 3.19Å; A975-V979 PolarHBondContact O-N 2.88Å
976Y91.1Very high88.8Confident0 Ų025.2 Ų25.20%014%0.139CC..Hα-helixtrans-66.3-38.7178.7-58.2-20.9000112.2Y700 F711 Q762 F949 S952 V953 E972 V979 H980Y700-Y976 HydrophobicContact CD2-CD1 4.04Å; Y700-Y976 AromaticContact CD2-CE1 3.81Å; Y700-Y976 HydrophobicContact CD2-CE1 3.81Å; Y700-Y976 AromaticContact CE2-CD1 3.89Å; Y700-Y976 HydrophobicContact CE2-CD1 3.89Å; Y700-Y976 AromaticContact CE2-CE1 3.26Å; Y700-Y976 HydrophobicContact CE2-CE1 3.26Å; F711-Y976 HydrophobicContact CD2-CD1 4.29Å; F711-Y976 AromaticContact CD2-CE1 3.95Å; F711-Y976 HydrophobicContact CD2-CE1 3.95Å; F711-Y976 HydrophobicContact CE1-CD1 4.46Å; F711-Y976 AromaticContact CE2-CD1 3.34Å; F711-Y976 HydrophobicContact CE2-CD1 3.34Å; F711-Y976 AromaticContact CE2-CE1 3.11Å; F711-Y976 HydrophobicContact CE2-CE1 3.11Å; F711-Y976 HydrophobicContact CE2-CG 4.17Å; F711-Y976 AromaticContact CE2-CZ 3.8Å; F711-Y976 AromaticContact CZ-CD1 3.4Å; F711-Y976 HydrophobicContact CZ-CD1 3.4Å; F711-Y976 VanDerWaalsContact CZ-CD1 3.4Å; F711-Y976 AromaticContact CZ-CE1 3.7Å; F711-Y976 HydrophobicContact CZ-CE1 3.7Å; F711-Y976 AromaticContact CZ-CG 3.89Å; F711-Y976 HydrophobicContact CZ-CG 3.89Å; Q762-Y976 PolarHBondContact OE1-O 3.46Å; F949-Y976 HydrophobicContact CB-CD2 4.3Å; F949-Y976 AromaticContact CD2-CD2 3.64Å; F949-Y976 HydrophobicContact CD2-CD2 3.64Å; F949-Y976 AromaticContact CD2-CE2 3.74Å; F949-Y976 HydrophobicContact CD2-CE2 3.74Å; F949-Y976 HydrophobicContact CE2-CE2 4.37Å; F949-Y976 HydrophobicContact CG-CD2 4.4Å; F949-Y976 HydrophobicContact CG-CE2 4.46Å; S952-Y976 VanDerWaalsContact CB-CE2 3.45Å; S952-Y976 WeakPolarHBondContact CB-OH 3.32Å; V953-Y976 HydrophobicContact CG2-CE2 4.32Å; E972-Y976 HydrophobicContact CB-CE2 4.19Å; E972-Y976 WeakPolarHBondContact O-CD2 3.29Å; E972-Y976 VanDerWaalsContact O-CG 3.25Å; E972-Y976 PolarHBondContact O-N 3.05Å; E972-Y976 VanDerWaalsContact OE2-CE1 3.28Å; E972-Y976 WeakPolarHBondContact OE2-CE1 3.4Å; E972-Y976 PolarHBondContact OE2-OH 3.06Å; Y976-V979 PolarHBondContact O-N 3.46Å; Y976-H980 PolarHBondContact O-N 3.35Å; Y976-H980 PolarHBondContact O-ND1 3.19Å
977G93Very high88.9Confident0 Ų018.8 Ų18.80%010%0.1CC..Hα-helixtrans-58.2-49.3174.800000112.3G759 W973 R974 A975 H980 L981G759-G977 VanDerWaalsContact O-CA 3.25Å; G759-G977 WeakPolarHBondContact O-CA 3.36Å; W973-G977 PolarHBondContact O-N 3.16Å; R974-G977 PolarHBondContact O-N 2.96Å; A975-G977 PolarHBondContact O-N 3.02Å; G977-H980 PolarHBondContact O-N 2.83Å; G977-L981 VanDerWaalsContact O-CB 3.31Å; G977-L981 WeakPolarHBondContact O-CB 3.3Å; G977-L981 WeakPolarHBondContact O-CG 3.39Å; G977-L981 PolarHBondContact O-N 2.85Å
978I92.8Very high89Confident41 Ų4117.5 Ų17.521%0.219%0.093CC..Hα-helixtrans-64.4-44.7176.4-66.4167000110.9F703 L763 R974 A975 H980 L981 V982F703-I978 HydrophobicContact CD1-CD1 3.9Å; F703-I978 HydrophobicContact CD2-CG2 3.87Å; F703-I978 HydrophobicContact CE1-CD1 4Å; F703-I978 HydrophobicContact CE2-CG2 3.71Å; F703-I978 HydrophobicContact CG-CD1 4.24Å; F703-I978 HydrophobicContact CG-CG2 4.46Å; F703-I978 HydrophobicContact CZ-CD1 4.44Å; F703-I978 HydrophobicContact CZ-CG2 4.17Å; L763-I978 HydrophobicContact CD1-CG1 4.13Å; R974-I978 VanDerWaalsContact O-CG1 3.28Å; R974-I978 WeakPolarHBondContact O-CG1 3.48Å; R974-I978 PolarHBondContact O-N 3.45Å; A975-I978 PolarHBondContact O-N 2.99Å; I978-H980 VanDerWaalsContact C-N 3.32Å; I978-H980 PolarHBondContact O-N 2.82Å; I978-L981 PolarHBondContact O-N 3.25Å; I978-V982 HydrophobicContact CG2-CG2 4.21Å; I978-V982 WeakPolarHBondContact O-CB 3.21Å; I978-V982 WeakPolarHBondContact O-CG2 3.32Å; I978-V982 PolarHBondContact O-N 3.05Å
979V92.2Very high89.2Confident0 Ų014.5 Ų14.50%08%0.077CC..Hα-helixtrans-54.4-49177.3163.30000110.6A696 L699 F711 A975 Y976 S983A696-V979 HydrophobicContact CB-CG1 3.68Å; L699-V979 HydrophobicContact CB-CB 4.4Å; L699-V979 HydrophobicContact CB-CG2 3.68Å; F711-V979 HydrophobicContact CD1-CG1 4.13Å; F711-V979 HydrophobicContact CE1-CG1 4.08Å; A975-V979 VanDerWaalsContact O-CB 3.31Å; A975-V979 WeakPolarHBondContact O-CB 3.33Å; A975-V979 WeakPolarHBondContact O-CG2 3.19Å; A975-V979 PolarHBondContact O-N 2.88Å; Y976-V979 PolarHBondContact O-N 3.46Å; V979-S983 WeakPolarHBondContact O-CB 3.39Å; V979-S983 PolarHBondContact O-N 3.47Å; V979-S983 PolarHBondContact O-OG 3.04Å
980H94.2Very high89.5Confident0 Ų013.7 Ų13.70%07%0.07CC..Hα-helixtrans-74.7-37.7-179.1-71.7140.5000113.5F711 T755 Q762 Y976 G977 I978 V982 S983 S984 S991F711-H980 AromaticContact CE1-NE2 3.94Å; T755-H980 HydrophobicContact CG2-CB 3.97Å; Q762-H980 PolarHBondContact OE1-ND1 3.22Å; Y976-H980 PolarHBondContact O-N 3.35Å; Y976-H980 PolarHBondContact O-ND1 3.19Å; G977-H980 PolarHBondContact O-N 2.83Å; I978-H980 VanDerWaalsContact C-N 3.32Å; I978-H980 PolarHBondContact O-N 2.82Å; H980-V982 VanDerWaalsContact C-N 3.34Å; H980-V982 PolarHBondContact O-N 3.41Å; H980-S983 PolarHBondContact O-N 3.49Å; H980-S984 VanDerWaalsContact O-CB 3.31Å; H980-S984 WeakPolarHBondContact O-CB 3.46Å; H980-S984 PolarHBondContact O-N 3.06Å; H980-S984 PolarHBondContact O-OG 3.09Å; H980-S991 PolarHBondContact CE1-O 3.27Å; H980-S991 PolarHBondContact NE2-N 3.03Å; H980-S991 PolarHBondContact NE2-O 3.48Å; H980-S991 PolarHBondContact NE2-OG 2.95Å
981L92.6Very high89.5Confident33 Ų3311.9 Ų11.917%0.1736%0.061CC..Hα-helixtrans-61-41.3175-83.7167.7000112.6F756 T760 L763 G977 I978 S984F756-L981 HydrophobicContact CD1-CD2 4.41Å; F756-L981 HydrophobicContact CD2-CD2 3.74Å; F756-L981 HydrophobicContact CE1-CD2 4.27Å; F756-L981 HydrophobicContact CE2-CD2 3.57Å; F756-L981 HydrophobicContact CG-CD2 4.18Å; F756-L981 HydrophobicContact CZ-CD2 3.85Å; T760-L981 WeakPolarHBondContact OG1-CD2 3.42Å; L763-L981 HydrophobicContact CB-CD1 4.08Å; L763-L981 HydrophobicContact CD2-CD1 3.47Å; L763-L981 VanDerWaalsContact CD2-CD1 3.47Å; L763-L981 HydrophobicContact CG-CD1 4.41Å; G977-L981 VanDerWaalsContact O-CB 3.31Å; G977-L981 WeakPolarHBondContact O-CB 3.3Å; G977-L981 WeakPolarHBondContact O-CG 3.39Å; G977-L981 PolarHBondContact O-N 2.85Å; I978-L981 PolarHBondContact O-N 3.25Å; L981-S984 PolarHBondContact O-OG 2.95Å
982V90.6Very high89.4Confident49 Ų4911.8 Ų11.830%0.2976%0.06SC..Hα-helixtrans-81.6-35.9179.5179.60000110.8L699 I978 H980 S984 F986L699-V982 HydrophobicContact CD1-CB 3.66Å; L699-V982 HydrophobicContact CD1-CG1 3.71Å; L699-V982 HydrophobicContact CD2-CB 4.26Å; L699-V982 HydrophobicContact CD2-CG1 3.96Å; L699-V982 HydrophobicContact CG-CG1 4.47Å; I978-V982 HydrophobicContact CG2-CG2 4.21Å; I978-V982 WeakPolarHBondContact O-CB 3.21Å; I978-V982 WeakPolarHBondContact O-CG2 3.32Å; I978-V982 PolarHBondContact O-N 3.05Å; H980-V982 VanDerWaalsContact C-N 3.34Å; H980-V982 PolarHBondContact O-N 3.41Å; V982-S984 VanDerWaalsContact C-N 3.33Å; V982-S984 PolarHBondContact O-N 3.13Å; V982-F986 HydrophobicContact CG1-CE2 4.2Å; V982-F986 VanDerWaalsContact O-CD2 3.24Å; V982-F986 WeakPolarHBondContact O-CD2 3.35Å
983S88Confident88.9Confident1 Ų111.8 Ų11.81%0.0076%0.06CC..Hα-helixtrans-69.6-30178.4-58.60000112.7V979 H980 L985 F986 C988V979-S983 WeakPolarHBondContact O-CB 3.39Å; V979-S983 PolarHBondContact O-N 3.47Å; V979-S983 PolarHBondContact O-OG 3.04Å; H980-S983 PolarHBondContact O-N 3.49Å; S983-L985 VanDerWaalsContact C-N 3.27Å; S983-L985 PolarHBondContact O-N 3.31Å; S983-F986 PolarHBondContact O-N 2.98Å; S983-C988 WeakPolarHBondContact O-CB 3.4Å; S983-C988 PolarHBondContact O-N 2.96Å; S983-C988 PolarHBondContact O-SG 3.37Å
984S89.9Confident88.2Confident0 Ų012.1 Ų12.10%06%0.063CC..Hα-helixtrans-62.1-33.4179.361.90000112.9S752 H980 L981 V982 F986 S987S752-S984 VanDerWaalsContact CB-O 3.28Å; S752-S984 WeakPolarHBondContact CB-O 3.43Å; S752-S984 WeakPolarHBondContact O-CB 3.36Å; H980-S984 VanDerWaalsContact O-CB 3.31Å; H980-S984 WeakPolarHBondContact O-CB 3.46Å; H980-S984 PolarHBondContact O-N 3.06Å; H980-S984 PolarHBondContact O-OG 3.09Å; L981-S984 PolarHBondContact O-OG 2.95Å; V982-S984 VanDerWaalsContact C-N 3.33Å; V982-S984 PolarHBondContact O-N 3.13Å; S984-F986 PolarHBondContact O-N 3.16Å; S984-S987 PolarHBondContact O-N 3.48Å
985L87.1Confident87.1Confident59 Ų5913.3 Ų13.331%0.3097%0.071SC..THydrogen-bonded Turntrans-58.2-27.1173.3-87.6145000112.4P926 E927 S983P926-L985 CarbonylContact C-O 3.55Å; P926-L985 WeakPolarHBondContact CA-O 3.46Å; P926-L985 HydrophobicContact CB-CB 4.34Å; E927-L985 PolarHBondContact N-O 3.43Å; S983-L985 VanDerWaalsContact C-N 3.27Å; S983-L985 PolarHBondContact O-N 3.31Å
986F83.2Confident86Confident38 Ų3814.9 Ų14.917%0.1678%0.081CC..THydrogen-bonded Turntrans-104.228.9-176.6-58.2-72000113F695 I923 P924 V982 S983 S984 C988F695-F986 AromaticContact CD1-CD2 3.64Å; F695-F986 HydrophobicContact CD1-CD2 3.64Å; F695-F986 AromaticContact CD1-CE2 3.94Å; F695-F986 HydrophobicContact CD1-CE2 3.94Å; F695-F986 HydrophobicContact CD1-CG 4.18Å; F695-F986 HydrophobicContact CD2-CB 3.72Å; F695-F986 HydrophobicContact CD2-CD2 4.17Å; F695-F986 HydrophobicContact CD2-CG 4.09Å; F695-F986 HydrophobicContact CE1-CB 4.33Å; F695-F986 HydrophobicContact CE1-CD1 4.02Å; F695-F986 AromaticContact CE1-CD2 3.46Å; F695-F986 HydrophobicContact CE1-CD2 3.46Å; F695-F986 VanDerWaalsContact CE1-CD2 3.46Å; F695-F986 HydrophobicContact CE1-CE1 4.16Å; F695-F986 AromaticContact CE1-CE2 3.63Å; F695-F986 HydrophobicContact CE1-CE2 3.63Å; F695-F986 AromaticContact CE1-CG 3.66Å; F695-F986 HydrophobicContact CE1-CG 3.66Å; F695-F986 AromaticContact CE1-CZ 3.97Å; F695-F986 HydrophobicContact CE1-CZ 3.97Å; F695-F986 HydrophobicContact CE2-CB 3.33Å; F695-F986 HydrophobicContact CE2-CD1 4.17Å; F695-F986 HydrophobicContact CE2-CD2 4.04Å; F695-F986 AromaticContact CE2-CG 3.59Å; F695-F986 HydrophobicContact CE2-CG 3.59Å; F695-F986 HydrophobicContact CG-CB 4.37Å; F695-F986 AromaticContact CG-CD2 3.99Å; F695-F986 HydrophobicContact CG-CD2 3.99Å; F695-F986 HydrophobicContact CG-CG 4.37Å; F695-F986 HydrophobicContact CZ-CB 3.66Å; F695-F986 AromaticContact CZ-CD1 3.59Å; F695-F986 HydrophobicContact CZ-CD1 3.59Å; F695-F986 AromaticContact CZ-CD2 3.67Å; F695-F986 HydrophobicContact CZ-CD2 3.67Å; F695-F986 HydrophobicContact CZ-CE1 4.1Å; F695-F986 HydrophobicContact CZ-CE2 4.18Å; F695-F986 AromaticContact CZ-CG 3.34Å; F695-F986 HydrophobicContact CZ-CG 3.34Å; F695-F986 HydrophobicContact CZ-CZ 4.37Å; I923-F986 HydrophobicContact CG2-CD1 3.72Å; I923-F986 HydrophobicContact CG2-CE1 3.48Å; I923-F986 VanDerWaalsContact CG2-CE1 3.48Å; I923-F986 HydrophobicContact CG2-CZ 4.43Å; P924-F986 HydrophobicContact CG-CB 4.06Å; P924-F986 HydrophobicContact CG-CD1 4.16Å; V982-F986 HydrophobicContact CG1-CE2 4.2Å; V982-F986 VanDerWaalsContact O-CD2 3.24Å; V982-F986 WeakPolarHBondContact O-CD2 3.35Å; S983-F986 PolarHBondContact O-N 2.98Å; S984-F986 PolarHBondContact O-N 3.16Å; F986-C988 PolarHBondContact O-N 3.17Å
987S80.6Confident85Confident0 Ų015.9 Ų15.90%08%0.084CC..THydrogen-bonded Turntrans51.940.9-179.4-39.30000111.9H688 E927 S984H688-S987 PolarHBondContact CD2-O 2.88Å; E927-S987 PolarHBondContact OE2-OG 2.54Å; S984-S987 PolarHBondContact O-N 3.48Å
988C85.1Confident84.3Confident0 Ų015.9 Ų15.90%08%0.084CC..PPolyproline II helixtrans-85.8149.8171.8-62.30000110.7Y691 T755 S983 F986Y691-C988 VanDerWaalsContact C-SG 3.51Å; T755-C988 PolarHBondContact OG1-O 3.21Å; T755-C988 VanDerWaalsContact OG1-O 3.05Å; S983-C988 WeakPolarHBondContact O-CB 3.4Å; S983-C988 PolarHBondContact O-N 2.96Å; S983-C988 PolarHBondContact O-SG 3.37Å; F986-C988 PolarHBondContact O-N 3.17Å
989Q88.8Confident83.3Confident1 Ų117.3 Ų17.31%0.0059%0.092CC..PPolyproline II helixtrans-89.1165.3168.963.5173.7-7.600110.8L684 T692 T713 T755 S991L684-Q989 HydrophobicContact CD1-CB 3.8Å; L684-Q989 HydrophobicContact CD1-CG 4.36Å; T692-Q989 HydrophobicContact CG2-CG 4.18Å; T692-Q989 VanDerWaalsContact CG2-O 3.22Å; T692-Q989 WeakPolarHBondContact CG2-O 3.22Å; T692-Q989 WeakPolarHBondContact OG1-CG 2.98Å; T692-Q989 PolarHBondContact OG1-N 3.36Å; T713-Q989 HydrophobicContact CG2-CG 4.32Å; T755-Q989 VanDerWaalsContact OG1-C 3.31Å; T755-Q989 WeakPolarHBondContact OG1-CA 3.16Å; Q989-S991 PolarHBondContact O-N 2.96Å
990V91.2Very high82.4Confident1 Ų117.8 Ų17.81%0.00610%0.095CC..PPolyproline II helixtrans-58.1139.1175.7-173.90000110.7I717 T721 L754 T755 V758 I944I717-V990 HydrophobicContact CG2-CB 3.79Å; I717-V990 HydrophobicContact CG2-CG1 3.84Å; T721-V990 HydrophobicContact CG2-CB 4.31Å; T721-V990 HydrophobicContact CG2-CG2 4.35Å; L754-V990 HydrophobicContact CG-CG2 4.36Å; T755-V990 HydrophobicContact CG2-CG2 4.35Å; T755-V990 PolarHBondContact OG1-N 3.37Å; T755-V990 VanDerWaalsContact OG1-N 3.1Å; V758-V990 HydrophobicContact CB-CG2 4.21Å; V758-V990 HydrophobicContact CG1-CG1 4Å; V758-V990 HydrophobicContact CG1-CG2 4.36Å; V758-V990 HydrophobicContact CG2-CG2 3.98Å; I944-V990 HydrophobicContact CG2-CB 4.19Å; I944-V990 HydrophobicContact CG2-CG1 3.71Å; I944-V990 HydrophobicContact CG2-CG2 4.14Å
991S86.8Confident81.6Confident0 Ų017.8 Ų17.80%010%0.095CC..  trans-133.3160.1-172.562.10000112.6T692 F711 G712 S948 H980 Q989T692-S991 VanDerWaalsContact CG2-CB 3.46Å; F711-S991 VanDerWaalsContact CD1-OG 3.29Å; F711-S991 WeakPolarHBondContact CD1-OG 3.45Å; F711-S991 WeakPolarHBondContact CE1-O 3.26Å; F711-S991 WeakPolarHBondContact CE1-OG 3.45Å; G712-S991 CarbonylContact O-C 3.55Å; G712-S991 WeakPolarHBondContact O-CA 3.45Å; G712-S991 VanDerWaalsContact O-CB 3.32Å; G712-S991 WeakPolarHBondContact O-CB 3.31Å; S948-S991 PolarHBondContact OG-O 3.07Å; H980-S991 PolarHBondContact CE1-O 3.27Å; H980-S991 PolarHBondContact NE2-N 3.03Å; H980-S991 PolarHBondContact NE2-O 3.48Å; H980-S991 PolarHBondContact NE2-OG 2.95Å; Q989-S991 PolarHBondContact O-N 2.96Å
992S85.9Confident80.9Confident0 Ų016.5 Ų16.50%09%0.088CC..EExtended strand (participates in β ladder)trans-144.6178.4173.6690000111.8G712 F714 I717 S952 S994G712-S992 CarbonylContact C-O 3.59Å; G712-S992 PolarHBondContact N-O 3.3Å; G712-S992 CarbonylContact O-C 3.32Å; G712-S992 PolarHBondContact O-N 3.25Å; F714-S992 WeakPolarHBondContact CB-OG 3.34Å; I717-S992 WeakPolarHBondContact CD1-OG 3.19Å; S952-S992 WeakPolarHBondContact OG-CB 3.33Å; S992-S994 PolarHBondContact O-N 3.34Å
993A80Confident80.2Confident0 Ų017.3 Ų17.30%09%0.089CC..EExtended strand (participates in β ladder)trans-56.3131.516900000110.7I709 F714 S952 M955I709-A993 HydrophobicContact CG2-CB 3.56Å; F714-A993 WeakPolarHBondContact CD2-O 3.46Å; S952-A993 PolarHBondContact OG-N 3.37Å; M955-A993 HydrophobicContact CB-CB 4.37Å; M955-A993 HydrophobicContact SD-CB 3.82Å
994S75.6Confident79.6Confident9 Ų917.5 Ų17.56%0.0639%0.09CC..  trans-96.1121.8173.9173.90000110.3S710 S992 T996 R997 S998S710-S994 PolarHBondContact O-N 3.39Å; S992-S994 PolarHBondContact O-N 3.34Å; S994-T996 PolarHBondContact O-N 3.23Å; S994-R997 PolarHBondContact O-N 3.3Å; S994-R997 PolarHBondContact OG-NE 3.08Å; S994-S998 VanDerWaalsContact O-CB 3.32Å; S994-S998 WeakPolarHBondContact O-CB 3.36Å; S994-S998 PolarHBondContact O-N 2.98Å; S994-S998 PolarHBondContact O-OG 3.28Å
995L69.1Low78.8Confident47 Ų4718.7 Ų18.725%0.24610%0.102CC..Hα-helixtrans-57.1-51.3-178.7-174.864000111.6M955 R997 L999M955-L995 HydrophobicContact CE-CB 3.68Å; M955-L995 HydrophobicContact CE-CD1 4.22Å; M955-L995 HydrophobicContact CE-CG 4.49Å; M955-L995 HydrophobicContact CG-CD1 4.43Å; M955-L995 HydrophobicContact SD-CB 4Å; M955-L995 HydrophobicContact SD-CD1 4.06Å; L995-R997 PolarHBondContact O-N 3.18Å; L995-L999 VanDerWaalsContact O-CB 3.31Å; L995-L999 WeakPolarHBondContact O-CB 3.35Å; L995-L999 PolarHBondContact O-N 3.06Å
996T67.8Low78.3Confident34 Ų3415.9 Ų15.921%0.2099%0.088CC..Hα-helixtrans-66.7-41.1-175.4-42.50000112.2S994 L999 V1000S994-T996 PolarHBondContact O-N 3.23Å; T996-L999 PolarHBondContact O-N 3.34Å; T996-V1000 WeakPolarHBondContact O-CG2 3.37Å; T996-V1000 PolarHBondContact O-N 3.14Å
997R71.7Confident78Confident20 Ų2017.9 Ų17.98%0.07510%0.098CC..Hα-helixtrans-67.9-44.4-179-68.7-175.9-71.7147.23.4111.4N697 S710 F711 G712 S994 L995 L999 V1000 L1001N697-R997 PolarHBondContact ND2-NH1 3.41Å; S710-R997 PolarHBondContact OG-NH1 3.33Å; F711-R997 VanDerWaalsContact O-CZ 3.31Å; F711-R997 PolarHBondContact O-NH1 3.42Å; F711-R997 PolarHBondContact O-NH2 3.2Å; G712-R997 VanDerWaalsContact C-NH2 3.34Å; S994-R997 PolarHBondContact O-N 3.3Å; S994-R997 PolarHBondContact OG-NE 3.08Å; L995-R997 PolarHBondContact O-N 3.18Å; R997-L999 VanDerWaalsContact C-N 3.29Å; R997-L999 PolarHBondContact O-N 3.07Å; R997-V1000 PolarHBondContact O-N 2.94Å; R997-L1001 WeakPolarHBondContact O-CB 3.45Å; R997-L1001 PolarHBondContact O-N 2.82Å
998S77.7Confident78.1Confident0 Ų018.3 Ų18.30%010%0.1CC..Hα-helixtrans-63.7-37.1176.6-48.40000111.5H708 S710 S994 L1001 S1002H708-S998 VanDerWaalsContact O-CA 3.31Å; H708-S998 WeakPolarHBondContact O-CA 3.5Å; H708-S998 VanDerWaalsContact O-CB 3.24Å; H708-S998 WeakPolarHBondContact O-CB 3.47Å; S710-S998 PolarHBondContact N-OG 3.42Å; S994-S998 VanDerWaalsContact O-CB 3.32Å; S994-S998 WeakPolarHBondContact O-CB 3.36Å; S994-S998 PolarHBondContact O-N 2.98Å; S994-S998 PolarHBondContact O-OG 3.28Å; S998-L1001 PolarHBondContact O-N 3.49Å; S998-S1002 WeakPolarHBondContact O-CB 3.43Å; S998-S1002 PolarHBondContact O-N 3.29Å; S998-S1002 PolarHBondContact O-OG 3.07Å
999L71.8Confident77.9Confident72 Ų7218.5 Ų18.538%0.37710%0.101SC..Hα-helixtrans-64.7-49.3175.8-158.5101000111.3L995 T996 R997 L1001 S1002 E1003L995-L999 VanDerWaalsContact O-CB 3.31Å; L995-L999 WeakPolarHBondContact O-CB 3.35Å; L995-L999 PolarHBondContact O-N 3.06Å; T996-L999 PolarHBondContact O-N 3.34Å; R997-L999 VanDerWaalsContact C-N 3.29Å; R997-L999 PolarHBondContact O-N 3.07Å; L999-L1001 VanDerWaalsContact C-N 3.29Å; L999-L1001 PolarHBondContact O-N 3.33Å; L999-S1002 PolarHBondContact O-N 3.03Å; L999-S1002 VanDerWaalsContact O-N 3.15Å; L999-S1002 PolarHBondContact O-OG 3.38Å; L999-E1003 HydrophobicContact CG-CG 4.34Å; L999-E1003 WeakPolarHBondContact O-CB 3.33Å; L999-E1003 VanDerWaalsContact O-CG 3.3Å; L999-E1003 WeakPolarHBondContact O-CG 3.4Å; L999-E1003 PolarHBondContact O-N 3.44Å
1000V72.5Confident77.5Confident10 Ų1020.2 Ų20.26%0.06111%0.11CC..Hα-helixtrans-59.4-42177.5171.50000110.9I655 V656 M659 P862 T996 R997 S1002 E1003 S1004I655-V1000 HydrophobicContact CG2-CG1 3.9Å; V656-V1000 HydrophobicContact CG2-CB 4.38Å; V656-V1000 HydrophobicContact CG2-CG1 3.86Å; M659-V1000 HydrophobicContact CE-CG2 4.28Å; M659-V1000 HydrophobicContact SD-CB 4.46Å; M659-V1000 HydrophobicContact SD-CG1 3.9Å; M659-V1000 HydrophobicContact SD-CG2 3.97Å; P862-V1000 HydrophobicContact CG-CG1 4.03Å; T996-V1000 WeakPolarHBondContact O-CG2 3.37Å; T996-V1000 PolarHBondContact O-N 3.14Å; R997-V1000 PolarHBondContact O-N 2.94Å; V1000-S1002 PolarHBondContact O-N 2.91Å; V1000-E1003 PolarHBondContact O-N 3.38Å; V1000-S1004 VanDerWaalsContact O-CB 3.23Å; V1000-S1004 WeakPolarHBondContact O-CB 3.43Å; V1000-S1004 PolarHBondContact O-N 3.46Å; V1000-S1004 PolarHBondContact O-OG 3.11Å
1001L77.4Confident76.8Confident0 Ų020.2 Ų20.20%011%0.11CC..Hα-helixtrans-58-49.2175.2-155.377000111.3C652 V656 R997 S998 L999 E1003 S1004 G1006 S1011C652-L1001 HydrophobicContact CB-CD1 4.22Å; V656-L1001 HydrophobicContact CG2-CD1 3.76Å; R997-L1001 WeakPolarHBondContact O-CB 3.45Å; R997-L1001 PolarHBondContact O-N 2.82Å; S998-L1001 PolarHBondContact O-N 3.49Å; L999-L1001 VanDerWaalsContact C-N 3.29Å; L999-L1001 PolarHBondContact O-N 3.33Å; L1001-E1003 PolarHBondContact O-N 2.83Å; L1001-S1004 PolarHBondContact O-N 3.08Å; L1001-G1006 PolarHBondContact O-N 3.45Å; L1001-S1011 VanDerWaalsContact CD1-OG 3.3Å; L1001-S1011 WeakPolarHBondContact CD1-OG 3.35Å
1002S77.8Confident76.2Confident5 Ų520.3 Ų20.34%0.03511%0.111CC..Hα-helixtrans-67.5-34.5-179.6790000113.5F959 Y963 S998 L999 V1000F959-S1002 WeakPolarHBondContact CE1-OG 3.41Å; Y963-S1002 PolarHBondContact OH-O 3.34Å; S998-S1002 WeakPolarHBondContact O-CB 3.43Å; S998-S1002 PolarHBondContact O-N 3.29Å; S998-S1002 PolarHBondContact O-OG 3.07Å; L999-S1002 PolarHBondContact O-N 3.03Å; L999-S1002 VanDerWaalsContact O-N 3.15Å; L999-S1002 PolarHBondContact O-OG 3.38Å; V1000-S1002 PolarHBondContact O-N 2.91Å
1003E76.7Confident75.6Confident67 Ų6721.1 Ų21.131%0.31312%0.117SC..Hα-helixtrans-79.3-29.6-179.6-72.9-174.5152.200112.1R856 L999 V1000 L1001 G1005R856-E1003 IonicContact CZ-OE1 2.81Å; R856-E1003 IonicContact CZ-OE2 3.35Å; R856-E1003 VanDerWaalsContact CZ-OE2 3.22Å; R856-E1003 IonicContact NH1-OE1 3.97Å; R856-E1003 PolarHBondContact NH1-OE1 3.25Å; R856-E1003 IonicContact NH1-OE2 2.88Å; R856-E1003 PolarHBondContact NH1-OE2 2.81Å; R856-E1003 IonicContact NH2-OE2 3.3Å; R856-E1003 PolarHBondContact NH2-OE2 3.28Å; L999-E1003 HydrophobicContact CG-CG 4.34Å; L999-E1003 WeakPolarHBondContact O-CB 3.33Å; L999-E1003 VanDerWaalsContact O-CG 3.3Å; L999-E1003 WeakPolarHBondContact O-CG 3.4Å; L999-E1003 PolarHBondContact O-N 3.44Å; V1000-E1003 PolarHBondContact O-N 3.38Å; L1001-E1003 PolarHBondContact O-N 2.83Å; E1003-G1005 PolarHBondContact O-N 3.18Å
1004S74.2Confident75.2Confident4 Ų422.8 Ų22.83%0.02813%0.126CC..THydrogen-bonded Turntrans-79-5.3178.4-53.90000112.9C652 Y861 P862 V1000 L1001C652-S1004 WeakPolarHBondContact SG-CB 3.1Å; C652-S1004 PolarHBondContact SG-O 3.15Å; Y861-S1004 WeakPolarHBondContact CE1-O 3.43Å; P862-S1004 VanDerWaalsContact CD-OG 3.26Å; P862-S1004 WeakPolarHBondContact CD-OG 3.37Å; P862-S1004 WeakPolarHBondContact CG-OG 3.19Å; V1000-S1004 VanDerWaalsContact O-CB 3.23Å; V1000-S1004 WeakPolarHBondContact O-CB 3.43Å; V1000-S1004 PolarHBondContact O-N 3.46Å; V1000-S1004 PolarHBondContact O-OG 3.11Å; L1001-S1004 PolarHBondContact O-N 3.08Å
1005G74.9Confident74.7Confident25 Ų2522.7 Ų22.726%0.25813%0.125SC..THydrogen-bonded Turntrans91.516.5178.400000115.1S648 E1003 Q1007S648-G1005 VanDerWaalsContact OG-C 3.26Å; S648-G1005 PolarHBondContact OG-O 3.42Å; E1003-G1005 PolarHBondContact O-N 3.18Å; G1005-Q1007 PolarHBondContact O-N 3.39Å
1006G75.5Confident74.4Confident0 Ų022.9 Ų22.90%012%0.123CC..  trans-66122178.300000110.4D649 C652 H708 L1001D649-G1006 WeakPolarHBondContact OD1-CA 3.37Å; C652-G1006 VanDerWaalsContact SG-CA 3.55Å; C652-G1006 PolarHBondContact SG-N 3.01Å; H708-G1006 PolarHBondContact CD2-O 3.28Å; H708-G1006 PolarHBondContact NE2-O 2.93Å; H708-G1006 VanDerWaalsContact NE2-O 3.12Å; L1001-G1006 PolarHBondContact O-N 3.45Å
1007Q76.4Confident74.2Confident80 Ų8027.7 Ų27.737%0.37414%0.142SC..  trans-98.4-20.2-175-65.9-62.7-31.300112.2D645 D649 H707 G1005D645-Q1007 HydrophobicContact CB-CB 4.35Å; D649-Q1007 PolarHBondContact OD1-N 3.27Å; H707-Q1007 WeakPolarHBondContact CB-O 3.49Å; H707-Q1007 PolarHBondContact ND1-O 2.7Å; G1005-Q1007 PolarHBondContact O-N 3.39Å
1008T82.5Confident73.8Confident9 Ų928 Ų286%0.05515%0.146CC..SBendtrans-139.3168.218074.50000114.1W636 Y640 D649 H707 L1010 S1011W636-T1008 HydrophobicContact CE3-CG2 4.02Å; W636-T1008 HydrophobicContact CZ3-CG2 4.35Å; Y640-T1008 HydrophobicContact CD2-CG2 3.55Å; Y640-T1008 HydrophobicContact CE2-CG2 3.36Å; Y640-T1008 WeakPolarHBondContact CE2-OG1 3.13Å; D649-T1008 PolarHBondContact OD1-N 3.25Å; D649-T1008 PolarHBondContact OD2-OG1 3.39Å; H707-T1008 CarbonylContact O-C 3.58Å; T1008-L1010 PolarHBondContact O-N 3.39Å; T1008-L1010 VanDerWaalsContact O-N 3.17Å; T1008-L1010 WeakPolarHBondContact OG1-CB 3.41Å; T1008-L1010 PolarHBondContact OG1-N 3.44Å; T1008-S1011 PolarHBondContact O-N 3.33Å; T1008-S1011 PolarHBondContact O-OG 2.83Å
1009Q81.5Confident72.8Confident4 Ų428.4 Ų28.42%0.01915%0.148CC..THydrogen-bonded Turntrans-68.6-5.4175-71.3-62.2-17.900114.3C701 S706 H707 I709 S1011 S1012 A1013C701-Q1009 HydrophobicContact CB-CB 4.2Å; C701-Q1009 PolarHBondContact SG-O 2.81Å; S706-Q1009 VanDerWaalsContact O-CG 3.22Å; S706-Q1009 WeakPolarHBondContact O-CG 3.2Å; S706-Q1009 PolarHBondContact O-NE2 3.11Å; H707-Q1009 PolarHBondContact O-NE2 3.18Å; H707-Q1009 VanDerWaalsContact O-NE2 3.14Å; I709-Q1009 PolarHBondContact O-NE2 3.24Å; I709-Q1009 PolarHBondContact O-OE1 2.89Å; I709-Q1009 VanDerWaalsContact O-OE1 3.05Å; Q1009-S1011 PolarHBondContact O-N 2.87Å; Q1009-S1012 WeakPolarHBondContact O-CB 3.1Å; Q1009-S1012 PolarHBondContact O-N 3.32Å; Q1009-S1012 VanDerWaalsContact O-N 3.13Å; Q1009-S1012 PolarHBondContact OE1-OG 3.47Å; Q1009-A1013 PolarHBondContact O-N 2.86Å
1010L81.7Confident72Confident37 Ų3726.2 Ų26.219%0.19414%0.136CC..Hα-helixtrans-57.9-38.8172.9-174.666.8000110.8W636 Y640 F646 D649 T1008 S1012 A1013 L1014W636-L1010 HydrophobicContact CH2-CB 4.01Å; W636-L1010 HydrophobicContact CZ3-CB 4.32Å; Y640-L1010 HydrophobicContact CE1-CD2 4.29Å; F646-L1010 HydrophobicContact CD2-CD2 4.11Å; F646-L1010 HydrophobicContact CE2-CD2 4.37Å; D649-L1010 HydrophobicContact CB-CB 4.49Å; T1008-L1010 PolarHBondContact O-N 3.39Å; T1008-L1010 VanDerWaalsContact O-N 3.17Å; T1008-L1010 WeakPolarHBondContact OG1-CB 3.41Å; T1008-L1010 PolarHBondContact OG1-N 3.44Å; L1010-S1012 VanDerWaalsContact C-N 3.3Å; L1010-S1012 PolarHBondContact O-N 3.26Å; L1010-A1013 PolarHBondContact O-N 3.02Å; L1010-L1014 HydrophobicContact CG-CD1 4.21Å; L1010-L1014 HydrophobicContact CG-CG 4.3Å; L1010-L1014 WeakPolarHBondContact O-CG 3.39Å; L1010-L1014 PolarHBondContact O-N 3.46Å
1011S75.7Confident71.2Confident1 Ų133.1 Ų33.11%0.00717%0.166CC..Hα-helixtrans-56.1-41.4175.4590000112.7D649 G653 L1001 T1008 Q1009D649-S1011 WeakPolarHBondContact O-CA 3.48Å; D649-S1011 VanDerWaalsContact O-CB 3.28Å; D649-S1011 WeakPolarHBondContact O-CB 3.49Å; G653-S1011 WeakPolarHBondContact CA-O 3.25Å; L1001-S1011 VanDerWaalsContact CD1-OG 3.3Å; L1001-S1011 WeakPolarHBondContact CD1-OG 3.35Å; T1008-S1011 PolarHBondContact O-N 3.33Å; T1008-S1011 PolarHBondContact O-OG 2.83Å; Q1009-S1011 PolarHBondContact O-N 2.87Å
1012S73.4Confident69.9Low2 Ų234.1 Ų34.11%0.01417%0.172CC..Hα-helixtrans-68.2-32.4173.7-62.50000113.2Q1009 L1010 Y1015Q1009-S1012 WeakPolarHBondContact O-CB 3.1Å; Q1009-S1012 PolarHBondContact O-N 3.32Å; Q1009-S1012 VanDerWaalsContact O-N 3.13Å; Q1009-S1012 PolarHBondContact OE1-OG 3.47Å; L1010-S1012 VanDerWaalsContact C-N 3.3Å; L1010-S1012 PolarHBondContact O-N 3.26Å; S1012-Y1015 VanDerWaalsContact O-CB 3.22Å; S1012-Y1015 WeakPolarHBondContact O-CB 3.32Å
1013A74.5Confident68.6Low17 Ų1739 Ų3914%0.1419%0.19CC..Hα-helixtrans-79.5-32.8179.900000113.3C701 Q1009 L1010 Y1015 F1016C701-A1013 HydrophobicContact CB-CB 4.05Å; Q1009-A1013 PolarHBondContact O-N 2.86Å; L1010-A1013 PolarHBondContact O-N 3.02Å; A1013-Y1015 PolarHBondContact O-N 3.23Å; A1013-F1016 WeakPolarHBondContact O-CB 3.39Å; A1013-F1016 PolarHBondContact O-N 2.99Å
1014L70.6Confident67.2Low35 Ų3541 Ų4118%0.18320%0.202CC..THydrogen-bonded Turntrans-61.3-16176.8-74.1172.1000113.4V650 L1010 F1016 F1017V650-L1014 HydrophobicContact CB-CD1 4.15Å; V650-L1014 HydrophobicContact CG2-CD1 3.58Å; L1010-L1014 HydrophobicContact CG-CD1 4.21Å; L1010-L1014 HydrophobicContact CG-CG 4.3Å; L1010-L1014 WeakPolarHBondContact O-CG 3.39Å; L1010-L1014 PolarHBondContact O-N 3.46Å; L1014-F1016 PolarHBondContact O-N 3.45Å; L1014-F1016 VanDerWaalsContact O-N 3.17Å; L1014-F1017 HydrophobicContact CD2-CD2 3.96Å; L1014-F1017 HydrophobicContact CD2-CE2 4.18Å; L1014-F1017 PolarHBondContact O-N 3.38Å; L1014-F1017 VanDerWaalsContact O-N 3.13Å
1015Y66.1Low65.8Low8 Ų843.4 Ų43.43%0.03122%0.218CC..Hα-helixtrans-46.6-36.7163177.5-110.1000113.4Q660 V661 S693 F694 S1012 A1013 F1017 V1018 V1019Q660-Y1015 HydrophobicContact CB-CE2 3.83Å; Q660-Y1015 HydrophobicContact CG-CD2 4.4Å; Q660-Y1015 HydrophobicContact CG-CE2 3.42Å; Q660-Y1015 VanDerWaalsContact CG-CE2 3.42Å; V661-Y1015 HydrophobicContact CG2-CD2 4.47Å; V661-Y1015 HydrophobicContact CG2-CE2 3.68Å; S693-Y1015 WeakPolarHBondContact O-CE1 3.45Å; F694-Y1015 HydrophobicContact CB-CE1 3.9Å; F694-Y1015 HydrophobicContact CD2-CD1 4.38Å; F694-Y1015 HydrophobicContact CD2-CE1 4.28Å; S1012-Y1015 VanDerWaalsContact O-CB 3.22Å; S1012-Y1015 WeakPolarHBondContact O-CB 3.32Å; A1013-Y1015 PolarHBondContact O-N 3.23Å; Y1015-F1017 VanDerWaalsContact C-N 3.25Å; Y1015-F1017 PolarHBondContact O-N 2.83Å; Y1015-V1018 PolarHBondContact O-N 3.34Å; Y1015-V1019 HydrophobicContact CD1-CG2 3.98Å; Y1015-V1019 HydrophobicContact CD2-CG2 4.01Å; Y1015-V1019 HydrophobicContact CE1-CG2 3.42Å; Y1015-V1019 VanDerWaalsContact CE1-CG2 3.42Å; Y1015-V1019 HydrophobicContact CE2-CG2 3.45Å; Y1015-V1019 VanDerWaalsContact CE2-CG2 3.45Å; Y1015-V1019 HydrophobicContact CG-CG2 4.25Å; Y1015-V1019 WeakPolarHBondContact O-CG2 3.36Å; Y1015-V1019 PolarHBondContact O-N 3.13Å; Y1015-V1019 VanDerWaalsContact O-N 3.15Å; Y1015-V1019 WeakPolarHBondContact OH-CG2 3.19Å
1016F61.5Low64.4Low50 Ų5048.7 Ų48.722%0.21923%0.231CC..Hα-helixtrans-48.1-48.1177.1172.3-89.5000111.8F694 F921 A1013 L1014 H1020F694-F1016 HydrophobicContact CE2-CB 4.25Å; F694-F1016 AromaticContact CE2-CD2 3.34Å; F694-F1016 HydrophobicContact CE2-CD2 3.34Å; F694-F1016 HydrophobicContact CE2-CE2 4.01Å; F694-F1016 HydrophobicContact CE2-CG 4.15Å; F694-F1016 AromaticContact CZ-CD2 3.54Å; F694-F1016 HydrophobicContact CZ-CD2 3.54Å; F694-F1016 AromaticContact CZ-CE2 3.81Å; F694-F1016 HydrophobicContact CZ-CE2 3.81Å; F921-F1016 HydrophobicContact CE1-CZ 4.41Å; A1013-F1016 WeakPolarHBondContact O-CB 3.39Å; A1013-F1016 PolarHBondContact O-N 2.99Å; L1014-F1016 PolarHBondContact O-N 3.45Å; L1014-F1016 VanDerWaalsContact O-N 3.17Å; F1016-H1020 AromaticContact CE2-CD2 3.62Å; F1016-H1020 AromaticContact CE2-NE2 3.93Å; F1016-H1020 AromaticContact CZ-CD2 3.67Å; F1016-H1020 WeakPolarHBondContact O-CB 2.97Å; F1016-H1020 PolarHBondContact O-N 2.98Å; F1016-H1020 VanDerWaalsContact O-N 3.08Å
1017F64.3Low62.7Low135 Ų13558.5 Ų58.559%0.59227%0.268SS*.Hα-helixtrans-70.9-38.2-175.6-69.7-75000112.1L1014 Y1015 H1020 F1021L1014-F1017 HydrophobicContact CD2-CD2 3.96Å; L1014-F1017 HydrophobicContact CD2-CE2 4.18Å; L1014-F1017 PolarHBondContact O-N 3.38Å; L1014-F1017 VanDerWaalsContact O-N 3.13Å; Y1015-F1017 VanDerWaalsContact C-N 3.25Å; Y1015-F1017 PolarHBondContact O-N 2.83Å; F1017-H1020 PolarHBondContact O-N 2.88Å; F1017-F1021 WeakPolarHBondContact O-CB 3.25Å; F1017-F1021 PolarHBondContact O-N 2.95Å
1018V62.4Low60.9Low28 Ų2860 Ų6017%0.1729%0.287CS..Hα-helixtrans-65.8-43.9-179.7-177.40000111L654 V661 Y1015 S1022L654-V1018 HydrophobicContact CD2-CG2 3.75Å; V661-V1018 HydrophobicContact CB-CG1 4.18Å; V661-V1018 HydrophobicContact CG2-CG1 4.06Å; Y1015-V1018 PolarHBondContact O-N 3.34Å; V1018-S1022 WeakPolarHBondContact O-CB 3.44Å; V1018-S1022 PolarHBondContact O-N 3.11Å; V1018-S1022 PolarHBondContact O-OG 3.23Å
1019V56.7Low59Low7 Ų764.5 Ų64.54%0.04231%0.314CS..Hα-helixtrans-65.9-45.2176.9-178.20000111.1V661 Y1015 S1022 R1023V661-V1019 HydrophobicContact CG2-CB 4.31Å; V661-V1019 HydrophobicContact CG2-CG2 3.45Å; V661-V1019 VanDerWaalsContact CG2-CG2 3.45Å; Y1015-V1019 HydrophobicContact CD1-CG2 3.98Å; Y1015-V1019 HydrophobicContact CD2-CG2 4.01Å; Y1015-V1019 HydrophobicContact CE1-CG2 3.42Å; Y1015-V1019 VanDerWaalsContact CE1-CG2 3.42Å; Y1015-V1019 HydrophobicContact CE2-CG2 3.45Å; Y1015-V1019 VanDerWaalsContact CE2-CG2 3.45Å; Y1015-V1019 HydrophobicContact CG-CG2 4.25Å; Y1015-V1019 WeakPolarHBondContact O-CG2 3.36Å; Y1015-V1019 PolarHBondContact O-N 3.13Å; Y1015-V1019 VanDerWaalsContact O-N 3.15Å; Y1015-V1019 WeakPolarHBondContact OH-CG2 3.19Å; V1019-S1022 PolarHBondContact O-OG 2.89Å; V1019-R1023 PolarHBondContact O-N 3.16Å
1020H55.2Low57Low27 Ų2772.9 Ų72.913%0.12535%0.347CS..Hα-helixtrans-71-41.6-177.3-102.5-72.9000113.1F921 F1016 F1017 S1022 R1023 I1024F921-H1020 PolarHBondContact O-CE1 3.48Å; F921-H1020 VanDerWaalsContact O-CE1 3.31Å; F1016-H1020 AromaticContact CE2-CD2 3.62Å; F1016-H1020 AromaticContact CE2-NE2 3.93Å; F1016-H1020 AromaticContact CZ-CD2 3.67Å; F1016-H1020 WeakPolarHBondContact O-CB 2.97Å; F1016-H1020 PolarHBondContact O-N 2.98Å; F1016-H1020 VanDerWaalsContact O-N 3.08Å; F1017-H1020 PolarHBondContact O-N 2.88Å; H1020-S1022 VanDerWaalsContact C-N 3.27Å; H1020-S1022 PolarHBondContact O-N 3.33Å; H1020-R1023 WeakPolarHBondContact O-CA 3.33Å; H1020-R1023 WeakPolarHBondContact O-CB 3.36Å; H1020-R1023 PolarHBondContact O-N 3.28Å; H1020-I1024 WeakPolarHBondContact O-CG1 3.34Å; H1020-I1024 PolarHBondContact O-N 3.12Å
1021F56.4Low54.6Low155 Ų15581.4 Ų81.468%0.6838%0.383SS*.Hα-helixtrans-60.1-40.7177.6-169.1-96.9000111F1017 R1023 I1024 S1025F1017-F1021 WeakPolarHBondContact O-CB 3.25Å; F1017-F1021 PolarHBondContact O-N 2.95Å; F1021-R1023 PolarHBondContact O-N 3.32Å; F1021-I1024 PolarHBondContact O-N 2.88Å; F1021-S1025 PolarHBondContact O-N 3.42Å; F1021-S1025 VanDerWaalsContact O-N 3.09Å
1022S51Low52.6Low20 Ų2084.4 Ų84.414%0.1441%0.414CS..Hα-helixtrans-64.1-22.2174.878.90000114.4V1018 V1019 H1020V1018-S1022 WeakPolarHBondContact O-CB 3.44Å; V1018-S1022 PolarHBondContact O-N 3.11Å; V1018-S1022 PolarHBondContact O-OG 3.23Å; V1019-S1022 PolarHBondContact O-OG 2.89Å; H1020-S1022 VanDerWaalsContact C-N 3.27Å; H1020-S1022 PolarHBondContact O-N 3.33Å
1023R49.2Very low50.6Low108 Ų10891.6 Ų91.641%0.40845%0.452SS..Hα-helixtrans-89.6-39175.8-82.4-173.3149.2113.7-5.1112.6V1019 H1020 F1021 R1026V1019-R1023 PolarHBondContact O-N 3.16Å; H1020-R1023 WeakPolarHBondContact O-CA 3.33Å; H1020-R1023 WeakPolarHBondContact O-CB 3.36Å; H1020-R1023 PolarHBondContact O-N 3.28Å; F1021-R1023 PolarHBondContact O-N 3.32Å; R1023-R1026 WeakPolarHBondContact O-CB 3.05Å
1024I47.6Very low49Very low109 Ų10996.2 Ų96.256%0.55948%0.484SS*.Hα-helixtrans-71.2-38.7-178-68.2167.4000111.2H1020 F1021 R1026 R1027H1020-I1024 WeakPolarHBondContact O-CG1 3.34Å; H1020-I1024 PolarHBondContact O-N 3.12Å; F1021-I1024 PolarHBondContact O-N 2.88Å; I1024-R1026 PolarHBondContact O-N 3.02Å; I1024-R1027 PolarHBondContact O-N 3.44Å
1025S44.2Very low47.4Very low54 Ų54100 Ų10038%0.37850%0.503SS..G310 helixtrans-60.7-19.7179.375.40000113.8F1021 R1027 S1028F1021-S1025 PolarHBondContact O-N 3.42Å; F1021-S1025 VanDerWaalsContact O-N 3.09Å; S1025-R1027 PolarHBondContact O-N 2.98Å; S1025-S1028 PolarHBondContact O-N 3.38Å
1026R47.1Very low45.9Very low137 Ų137110.4 Ų110.452%0.51754%0.543SS..G310 helixtrans-66.6-18.4175.9-63.5-176.2-174.9-167.6-3.2113.8R1023 I1024 S1028 Y1030R1023-R1026 WeakPolarHBondContact O-CB 3.05Å; I1024-R1026 PolarHBondContact O-N 3.02Å; R1026-S1028 VanDerWaalsContact C-N 3.26Å; R1026-S1028 PolarHBondContact O-N 3.49Å; R1026-Y1030 VanDerWaalsContact O-CD2 3.27Å; R1026-Y1030 WeakPolarHBondContact O-CD2 3.48Å; R1026-Y1030 VanDerWaalsContact O-CE2 3.23Å; R1026-Y1030 WeakPolarHBondContact O-CE2 3.27Å
1027R38.4Very low44.6Very low206 Ų206110.8 Ų110.878%0.77756%0.561SS**G310 helixtrans-71-20.4-179.3-160.3170.5-176.9155-0.7113.1I1024 S1025I1024-R1027 PolarHBondContact O-N 3.44Å; S1025-R1027 PolarHBondContact O-N 2.98Å
1028S38.8Very low43.3Very low110 Ų110112.9 Ų112.977%0.76957%0.566SS**G310 helixtrans-89.4-11.2-176.6-144.60000114.6S1025 R1026S1025-S1028 PolarHBondContact O-N 3.38Å; R1026-S1028 VanDerWaalsContact C-N 3.26Å; R1026-S1028 PolarHBondContact O-N 3.49Å
1029V42.9Very low42.2Very low104 Ų104117.2 Ų117.263%0.6358%0.58SS**  trans-102.836179-165.40000110.9
1030Y39.8Very low41.4Very low180 Ų180122.7 Ų122.771%0.70660%0.601SS**  trans-98.616.5173.7-83.1-82.4000113R1026 G1032R1026-Y1030 VanDerWaalsContact O-CD2 3.27Å; R1026-Y1030 WeakPolarHBondContact O-CD2 3.48Å; R1026-Y1030 VanDerWaalsContact O-CE2 3.23Å; R1026-Y1030 WeakPolarHBondContact O-CE2 3.27Å; Y1030-G1032 PolarHBondContact O-N 2.82Å
1031F31.9Very low41Very low216 Ų216123.6 Ų123.695%0.94761%0.608SS**  trans-98.481.1175-139-93.5000109.9
1032G32.8Very low40.7Very low65 Ų65117.8 Ų117.867%0.6759%0.587SS**  trans157.295174.400000114Y1030 S1034Y1030-G1032 PolarHBondContact O-N 2.82Å; G1032-S1034 VanDerWaalsContact C-N 3.29Å; G1032-S1034 PolarHBondContact O-N 3.3Å; G1032-S1034 VanDerWaalsContact O-N 3.11Å
1033N31.3Very low41.1Very low152 Ų152117.9 Ų117.981%0.81359%0.587SS**THydrogen-bonded Turntrans-76.918.2-170.1-102.4-15.2000116.8
1034S41.8Very low42.1Very low114 Ų114114.6 Ų114.680%0.79758%0.576SS**THydrogen-bonded Turntrans-119.28.3-167.8-153.70000117.4G1032G1032-S1034 VanDerWaalsContact C-N 3.29Å; G1032-S1034 PolarHBondContact O-N 3.3Å; G1032-S1034 VanDerWaalsContact O-N 3.11Å
1035L36.7Very low43.2Very low115 Ų115112.4 Ų112.460%0.60256%0.563SS**  trans-13238.2-173.9-87.4169.7000113.4G1037 Y1039L1035-G1037 VanDerWaalsContact C-N 3.34Å; L1035-G1037 PolarHBondContact O-N 3.01Å; L1035-Y1039 HydrophobicContact CB-CE2 3.92Å; L1035-Y1039 HydrophobicContact CD1-CE2 4.1Å; L1035-Y1039 HydrophobicContact CD2-CE2 3.91Å; L1035-Y1039 HydrophobicContact CG-CE2 4.18Å
1036R33.7Very low44.7Very low227 Ų227110.4 Ų110.486%0.85755%0.547SS*.  trans-79.61.1-166.1-138.9172.3-175.4178.20.2116.1
1037G34.6Very low46Very low58 Ų58104.7 Ų104.760%0.59853%0.526SS*.SBendtrans-123.5-21.4-16900000118.8L1035L1035-G1037 VanDerWaalsContact C-N 3.34Å; L1035-G1037 PolarHBondContact O-N 3.01Å
1038Y36.2Very low47.4Very low179 Ų17995.8 Ų95.870%0.70249%0.494SS*.SBendtrans-113.62.2-160.5-83.6-85.5000116.8
1039Y39.2Very low49Very low119 Ų11990.6 Ų90.647%0.46746%0.458SS..  trans-96.90.2-171.6-73.4-71.4000116.7N668 L1035 T1041N668-Y1039 WeakPolarHBondContact OD1-CD1 3.37Å; N668-Y1039 WeakPolarHBondContact OD1-CE1 3.28Å; L1035-Y1039 HydrophobicContact CB-CE2 3.92Å; L1035-Y1039 HydrophobicContact CD1-CE2 4.1Å; L1035-Y1039 HydrophobicContact CD2-CE2 3.91Å; L1035-Y1039 HydrophobicContact CG-CE2 4.18Å; Y1039-T1041 PolarHBondContact O-N 3.43Å
1040Y41.6Very low50.7Low121 Ų12185.6 Ų85.648%0.47543%0.428SS..  trans-81.661.2170.2-61-70.7000110.7S906 C1042S906-Y1040 WeakPolarHBondContact CB-OH 3.1Å; S906-Y1040 PolarHBondContact OG-OH 3.37Å; Y1040-C1042 PolarHBondContact O-N 3.32Å
1041T46Very low52.3Low46 Ų4677.6 Ų77.628%0.28240%0.397SS..  trans-80.6112.2-175.942.60000112.3Y1039Y1039-T1041 PolarHBondContact O-N 3.43Å
1042C50.9Low54.1Low34 Ų3467.4 Ų67.423%0.2335%0.353CS..PPolyproline II helixtrans-51.9132.6170.9-55.20000113.3L900 V901 Y1040L900-C1042 HydrophobicContact CB-CB 3.8Å; L900-C1042 HydrophobicContact CD1-CB 4.38Å; L900-C1042 HydrophobicContact CD2-CB 3.88Å; L900-C1042 HydrophobicContact CG-CB 4.24Å; V901-C1042 WeakPolarHBondContact O-CB 3.09Å; V901-C1042 PolarHBondContact O-SG 3.37Å; Y1040-C1042 PolarHBondContact O-N 3.32Å
1043S58.1Low56.3Low22 Ų2265.8 Ų65.815%0.15433%0.328CS..PPolyproline II helixtrans-89.7159.9168.9-37.70000111L670 I672 V901L670-S1043 PolarHBondContact O-OG 3.46Å; I672-S1043 WeakPolarHBondContact CD1-OG 3.31Å; V901-S1043 WeakPolarHBondContact CB-O 3.31Å; V901-S1043 VanDerWaalsContact CG2-O 3.27Å; V901-S1043 WeakPolarHBondContact CG2-O 3.36Å; V901-S1043 PolarHBondContact N-O 3.16Å
1044F71.5Confident58.5Low38 Ų3859.3 Ų59.317%0.16729%0.294CS..BIsolated β-bridgetrans-76.3135.8-177.8-60.8-65.7000112.5L892 I898 L900 F1046 I1047L892-F1044 HydrophobicContact CD2-CZ 4.16Å; I898-F1044 HydrophobicContact CB-CD1 4.23Å; I898-F1044 HydrophobicContact CB-CE1 4.2Å; I898-F1044 HydrophobicContact CG2-CB 4.37Å; I898-F1044 HydrophobicContact CG2-CD1 3.29Å; I898-F1044 HydrophobicContact CG2-CE1 3.72Å; I898-F1044 HydrophobicContact CG2-CG 4.06Å; L900-F1044 HydrophobicContact CD2-CD1 3.6Å; L900-F1044 HydrophobicContact CD2-CE1 3.71Å; L900-F1044 HydrophobicContact CD2-CG 4.48Å; L900-F1044 HydrophobicContact CG-CD1 4.45Å; F1044-F1046 HydrophobicContact CB-CD1 3.37Å; F1044-F1046 HydrophobicContact CB-CE1 3.21Å; F1044-F1046 HydrophobicContact CB-CG 4.36Å; F1044-F1046 HydrophobicContact CB-CZ 4.11Å; F1044-F1046 HydrophobicContact CD1-CE1 4.35Å; F1044-F1046 AromaticContact CD2-CE1 3.66Å; F1044-F1046 HydrophobicContact CD2-CE1 3.66Å; F1044-F1046 HydrophobicContact CD2-CZ 4.18Å; F1044-F1046 HydrophobicContact CG-CD1 4.07Å; F1044-F1046 AromaticContact CG-CE1 3.51Å; F1044-F1046 HydrophobicContact CG-CE1 3.51Å; F1044-F1046 HydrophobicContact CG-CZ 4.41Å; F1044-F1046 PolarHBondContact O-N 3.37Å; F1044-I1047 HydrophobicContact CB-CD1 4.3Å; F1044-I1047 HydrophobicContact CB-CG1 4.43Å; F1044-I1047 HydrophobicContact CD2-CD1 4.44Å; F1044-I1047 PolarHBondContact O-N 3.26Å
1045K70.1Confident59.9Low64 Ų6454.9 Ų54.928%0.27826%0.264SS..Hα-helixtrans-61.2-29.2-179.2-69.7-172.6-178.1179.80113.2T800 K899 L900 V901 I1047 L1048 A1049T800-K1045 HydrophobicContact CG2-CB 3.8Å; T800-K1045 WeakPolarHBondContact CG2-O 3.32Å; K899-K1045 HydrophobicContact CB-CD 3.94Å; K899-K1045 HydrophobicContact CB-CG 4.41Å; K899-K1045 PolarHBondContact O-N 3.15Å; K899-K1045 VanDerWaalsContact O-N 3.08Å; L900-K1045 WeakPolarHBondContact O-CE 3.32Å; V901-K1045 HydrophobicContact CG2-CG 4.06Å; K1045-I1047 VanDerWaalsContact C-N 3.35Å; K1045-I1047 PolarHBondContact O-N 3.12Å; K1045-L1048 WeakPolarHBondContact O-CB 3.39Å; K1045-L1048 PolarHBondContact O-N 2.95Å; K1045-A1049 PolarHBondContact O-N 2.93Å
1046F76.4Confident61.7Low12 Ų1250.4 Ų50.45%0.05324%0.241CC..Hα-helixtrans-65.1-35.8-175.878.6-103.7000113.2T833 S836 S837 A840 I898 F1044 L1048 A1049 S1050T833-F1046 HydrophobicContact CG2-CD1 4.5Å; S836-F1046 VanDerWaalsContact CB-CE2 3.48Å; S836-F1046 VanDerWaalsContact CB-CZ 3.45Å; S836-F1046 WeakPolarHBondContact OG-CE1 3.38Å; S836-F1046 WeakPolarHBondContact OG-CE2 3.41Å; S836-F1046 WeakPolarHBondContact OG-CZ 3.31Å; S837-F1046 WeakPolarHBondContact OG-CB 3.18Å; A840-F1046 HydrophobicContact CB-CE2 4.49Å; I898-F1046 HydrophobicContact CG2-CD1 4.17Å; I898-F1046 HydrophobicContact CG2-CE1 4.4Å; F1044-F1046 HydrophobicContact CB-CD1 3.37Å; F1044-F1046 HydrophobicContact CB-CE1 3.21Å; F1044-F1046 HydrophobicContact CB-CG 4.36Å; F1044-F1046 HydrophobicContact CB-CZ 4.11Å; F1044-F1046 HydrophobicContact CD1-CE1 4.35Å; F1044-F1046 AromaticContact CD2-CE1 3.66Å; F1044-F1046 HydrophobicContact CD2-CE1 3.66Å; F1044-F1046 HydrophobicContact CD2-CZ 4.18Å; F1044-F1046 HydrophobicContact CG-CD1 4.07Å; F1044-F1046 AromaticContact CG-CE1 3.51Å; F1044-F1046 HydrophobicContact CG-CE1 3.51Å; F1044-F1046 HydrophobicContact CG-CZ 4.41Å; F1044-F1046 PolarHBondContact O-N 3.37Å; F1046-L1048 PolarHBondContact O-N 3.42Å; F1046-A1049 PolarHBondContact O-N 2.96Å; F1046-S1050 PolarHBondContact O-N 3.24Å; F1046-S1050 PolarHBondContact O-OG 3.19Å; F1046-S1050 VanDerWaalsContact O-OG 3.12Å
1047I73.1Confident63.8Low16 Ų1647.4 Ų47.48%0.08223%0.229CC..Hα-helixtrans-59.4-38.5178.2-60.9173.4000110.2L869 V870 V873 F1044 K1045 S1050 I1051L869-I1047 HydrophobicContact CD2-CG2 4.4Å; V870-I1047 HydrophobicContact CG2-CG2 4.36Å; V873-I1047 HydrophobicContact CB-CD1 4.33Å; V873-I1047 HydrophobicContact CG1-CD1 3.78Å; F1044-I1047 HydrophobicContact CB-CD1 4.3Å; F1044-I1047 HydrophobicContact CB-CG1 4.43Å; F1044-I1047 HydrophobicContact CD2-CD1 4.44Å; F1044-I1047 PolarHBondContact O-N 3.26Å; K1045-I1047 VanDerWaalsContact C-N 3.35Å; K1045-I1047 PolarHBondContact O-N 3.12Å; I1047-S1050 WeakPolarHBondContact O-CB 3.31Å; I1047-S1050 PolarHBondContact O-N 3.44Å; I1047-I1051 HydrophobicContact CG2-CD1 4.21Å; I1047-I1051 WeakPolarHBondContact O-CG1 3.39Å; I1047-I1051 PolarHBondContact O-N 3.22Å; I1047-I1051 VanDerWaalsContact O-N 3.1Å
1048L67.7Low65.4Low20 Ų2046.7 Ų46.711%0.10522%0.222CC..Hα-helixtrans-65.3-46.6-179.9-164.463.7000111.7I672 A677 M680 K1045 F1046 S1050 I1051 V1052I672-L1048 HydrophobicContact CG2-CD1 4.07Å; A677-L1048 VanDerWaalsContact CA-CD2 3.41Å; A677-L1048 HydrophobicContact CB-CD1 3.13Å; A677-L1048 HydrophobicContact CB-CD2 3.42Å; A677-L1048 VanDerWaalsContact CB-CD2 3.42Å; A677-L1048 HydrophobicContact CB-CG 3.34Å; M680-L1048 HydrophobicContact SD-CD2 4.48Å; K1045-L1048 WeakPolarHBondContact O-CB 3.39Å; K1045-L1048 PolarHBondContact O-N 2.95Å; F1046-L1048 PolarHBondContact O-N 3.42Å; L1048-S1050 VanDerWaalsContact C-N 3.33Å; L1048-S1050 PolarHBondContact O-N 3.3Å; L1048-I1051 PolarHBondContact O-N 3.07Å; L1048-V1052 WeakPolarHBondContact O-CG2 3.46Å; L1048-V1052 PolarHBondContact O-N 3.15Å; L1048-V1052 VanDerWaalsContact O-N 3.12Å
1049A73Confident67.1Low0 Ų039 Ų390%019%0.194CC..Hα-helixtrans-61.5-42.9176.500000111.2Q797 T800 V801 K1045 F1046 I1051 V1052 I1053Q797-A1049 HydrophobicContact CB-CB 4.21Å; T800-A1049 HydrophobicContact CG2-CB 3.8Å; V801-A1049 HydrophobicContact CG2-CB 3.96Å; K1045-A1049 PolarHBondContact O-N 2.93Å; F1046-A1049 PolarHBondContact O-N 2.96Å; A1049-I1051 VanDerWaalsContact C-N 3.34Å; A1049-I1051 PolarHBondContact O-N 3.27Å; A1049-V1052 PolarHBondContact O-N 2.9Å; A1049-I1053 VanDerWaalsContact O-CG1 3.3Å; A1049-I1053 WeakPolarHBondContact O-CG1 3.38Å; A1049-I1053 PolarHBondContact O-N 3.38Å
1050S78.8Confident68.9Low0 Ų035.9 Ų35.90%019%0.194CC..Hα-helixtrans-57.3-43.7175.1-59.40000112.6S837 F1046 I1047 L1048 I1053 V1054S837-S1050 PolarHBondContact O-OG 3.46Å; F1046-S1050 PolarHBondContact O-N 3.24Å; F1046-S1050 PolarHBondContact O-OG 3.19Å; F1046-S1050 VanDerWaalsContact O-OG 3.12Å; I1047-S1050 WeakPolarHBondContact O-CB 3.31Å; I1047-S1050 PolarHBondContact O-N 3.44Å; L1048-S1050 VanDerWaalsContact C-N 3.33Å; L1048-S1050 PolarHBondContact O-N 3.3Å; S1050-I1053 PolarHBondContact O-N 2.92Å; S1050-V1054 WeakPolarHBondContact O-CG2 3.37Å; S1050-V1054 PolarHBondContact O-N 3.48Å; S1050-V1054 VanDerWaalsContact O-N 3.1Å
1051I72.2Confident70.5Confident12 Ų1232.6 Ų32.66%0.06219%0.191CC..Hα-helixtrans-63-43.2177.2-70166.7000111.3K674 L844 E866 I1047 L1048 A1049 A1055K674-I1051 HydrophobicContact CD-CG2 4.21Å; K674-I1051 HydrophobicContact CG-CG2 3.93Å; L844-I1051 HydrophobicContact CD1-CG1 3.88Å; E866-I1051 HydrophobicContact CG-CG2 4.35Å; I1047-I1051 HydrophobicContact CG2-CD1 4.21Å; I1047-I1051 WeakPolarHBondContact O-CG1 3.39Å; I1047-I1051 PolarHBondContact O-N 3.22Å; I1047-I1051 VanDerWaalsContact O-N 3.1Å; L1048-I1051 PolarHBondContact O-N 3.07Å; A1049-I1051 VanDerWaalsContact C-N 3.34Å; A1049-I1051 PolarHBondContact O-N 3.27Å; I1051-A1055 WeakPolarHBondContact O-CB 3.47Å; I1051-A1055 PolarHBondContact O-N 3.02Å; I1051-A1055 VanDerWaalsContact O-N 3.14Å
1052V70.2Confident72.2Confident2 Ų232.7 Ų32.71%0.01219%0.188CC..Hα-helixtrans-66.4-44.5179.5176.40000110.9Y678 I793 Q797 L1048 A1049 V1054 A1055 L1056Y678-V1052 HydrophobicContact CE1-CG1 4.33Å; Y678-V1052 HydrophobicContact CE1-CG2 3.71Å; I793-V1052 HydrophobicContact CG2-CG1 3.66Å; Q797-V1052 HydrophobicContact CG-CB 3.99Å; Q797-V1052 HydrophobicContact CG-CG1 3.68Å; L1048-V1052 WeakPolarHBondContact O-CG2 3.46Å; L1048-V1052 PolarHBondContact O-N 3.15Å; L1048-V1052 VanDerWaalsContact O-N 3.12Å; A1049-V1052 PolarHBondContact O-N 2.9Å; V1052-V1054 PolarHBondContact O-N 3.45Å; V1052-A1055 WeakPolarHBondContact O-CB 3.42Å; V1052-A1055 PolarHBondContact O-N 3.19Å; V1052-A1055 VanDerWaalsContact O-N 3.1Å; V1052-L1056 PolarHBondContact O-N 3.33Å
1053I79.7Confident73.9Confident31 Ų3135 Ų3516%0.15920%0.195CC..Hα-helixtrans-59.5-47.8178.7-70.3168.9000111L794 Q797 V801 I841 A1049 S1050 A1055 L1056L794-I1053 HydrophobicContact CD1-CG1 4.12Å; L794-I1053 HydrophobicContact CD1-CG2 4.23Å; Q797-I1053 HydrophobicContact CB-CD1 3.97Å; Q797-I1053 HydrophobicContact CB-CG1 3.8Å; Q797-I1053 HydrophobicContact CG-CG1 4.37Å; V801-I1053 HydrophobicContact CG2-CD1 3.61Å; I841-I1053 HydrophobicContact CD1-CD1 4.14Å; I841-I1053 HydrophobicContact CD1-CG2 4.38Å; A1049-I1053 VanDerWaalsContact O-CG1 3.3Å; A1049-I1053 WeakPolarHBondContact O-CG1 3.38Å; A1049-I1053 PolarHBondContact O-N 3.38Å; S1050-I1053 PolarHBondContact O-N 2.92Å; I1053-A1055 PolarHBondContact O-N 2.93Å; I1053-L1056 WeakPolarHBondContact O-CB 3.45Å; I1053-L1056 PolarHBondContact O-N 3.47Å; I1053-L1056 VanDerWaalsContact O-N 3.11Å
1054V77.8Confident75.2Confident16 Ų1642 Ų4210%0.09722%0.222CC..Hα-helixtrans-63.7-30.3178.2175.30000111.6I841 L844 K848 S1050 V1052 L1056I841-V1054 HydrophobicContact CG2-CG2 4.07Å; L844-V1054 HydrophobicContact CB-CG1 4.48Å; L844-V1054 HydrophobicContact CB-CG2 4.12Å; L844-V1054 HydrophobicContact CD1-CG2 4.31Å; K848-V1054 HydrophobicContact CD-CG1 3.78Å; S1050-V1054 WeakPolarHBondContact O-CG2 3.37Å; S1050-V1054 PolarHBondContact O-N 3.48Å; S1050-V1054 VanDerWaalsContact O-N 3.1Å; V1052-V1054 PolarHBondContact O-N 3.45Å; V1054-L1056 VanDerWaalsContact C-N 3.32Å; V1054-L1056 PolarHBondContact O-N 3.05Å
1055A70.6Confident75.8Confident20 Ų2044.6 Ų44.617%0.16524%0.235CC..Hα-helixtrans-70-24.4176.600000113.6I1051 V1052 I1053 R1057I1051-A1055 WeakPolarHBondContact O-CB 3.47Å; I1051-A1055 PolarHBondContact O-N 3.02Å; I1051-A1055 VanDerWaalsContact O-N 3.14Å; V1052-A1055 WeakPolarHBondContact O-CB 3.42Å; V1052-A1055 PolarHBondContact O-N 3.19Å; V1052-A1055 VanDerWaalsContact O-N 3.1Å; I1053-A1055 PolarHBondContact O-N 2.93Å; A1055-R1057 PolarHBondContact O-N 3.49Å
1056L74.6Confident76.7Confident22 Ų2243.6 Ų43.612%0.11523%0.233CC..THydrogen-bonded Turntrans-70-11.2179.1-66.5176.2000114A790 I793 L794 V1052 I1053 V1054 G1058 S1059 A1060A790-L1056 HydrophobicContact CB-CD2 4.02Å; I793-L1056 HydrophobicContact CB-CD1 4.24Å; I793-L1056 HydrophobicContact CB-CD2 4.18Å; I793-L1056 HydrophobicContact CD1-CD2 4.12Å; I793-L1056 HydrophobicContact CG2-CD1 4.03Å; I793-L1056 HydrophobicContact CG2-CD2 4.07Å; I793-L1056 HydrophobicContact CG2-CG 4.45Å; L794-L1056 HydrophobicContact CB-CD1 3.84Å; L794-L1056 HydrophobicContact CD1-CD1 4.35Å; V1052-L1056 PolarHBondContact O-N 3.33Å; I1053-L1056 WeakPolarHBondContact O-CB 3.45Å; I1053-L1056 PolarHBondContact O-N 3.47Å; I1053-L1056 VanDerWaalsContact O-N 3.11Å; V1054-L1056 VanDerWaalsContact C-N 3.32Å; V1054-L1056 PolarHBondContact O-N 3.05Å; L1056-G1058 PolarHBondContact O-N 3.44Å; L1056-G1058 VanDerWaalsContact O-N 3.13Å; L1056-S1059 PolarHBondContact O-N 2.95Å; L1056-S1059 VanDerWaalsContact O-N 3.09Å; L1056-A1060 PolarHBondContact O-N 2.74Å
1057R76.8Confident77.4Confident163 Ų16347 Ų4762%0.61526%0.255SS*.Hα-helixtrans-52.5-36.3177.7-176.6179.8178.2174.12.8112.9A1055 A1061A1055-R1057 PolarHBondContact O-N 3.49Å; R1057-A1061 PolarHBondContact O-N 3.35Å; R1057-A1061 VanDerWaalsContact O-N 3.1Å
1058G68.6Low78.2Confident43 Ų4350.6 Ų50.644%0.44328%0.278SS..Hα-helixtrans-65.6-45178.500000112.8L1056 A1061L1056-G1058 PolarHBondContact O-N 3.44Å; L1056-G1058 VanDerWaalsContact O-N 3.13Å; G1058-A1061 PolarHBondContact O-N 3.03Å
1059S71.4Confident79.3Confident17 Ų1751 Ų5112%0.11928%0.28CS..Hα-helixtrans-66.2-43.3175.9-57.30000111.3C787 L1056 A1061 Q1062C787-S1059 PolarHBondContact SG-O 3.26Å; L1056-S1059 PolarHBondContact O-N 2.95Å; L1056-S1059 VanDerWaalsContact O-N 3.09Å; S1059-A1061 PolarHBondContact O-N 3.39Å; S1059-Q1062 WeakPolarHBondContact O-CB 3.34Å; S1059-Q1062 PolarHBondContact O-N 2.99Å
1060A76.8Confident80.2Confident55 Ų5558.6 Ų58.646%0.45531%0.309SS..Hα-helixtrans-63.6-25.9177.500000113.5L1056 Q1062 F1063L1056-A1060 PolarHBondContact O-N 2.74Å; A1060-Q1062 PolarHBondContact O-N 2.93Å; A1060-F1063 WeakPolarHBondContact O-CD2 3.33Å; A1060-F1063 PolarHBondContact O-N 2.94Å
1061A77.1Confident80.8Confident51 Ų5167.3 Ų67.342%0.42135%0.347SS..G310 helixtrans-66.6-20.7178.200000113.3R1057 G1058 S1059 F1063 K1064R1057-A1061 PolarHBondContact O-N 3.35Å; R1057-A1061 VanDerWaalsContact O-N 3.1Å; G1058-A1061 PolarHBondContact O-N 3.03Å; S1059-A1061 PolarHBondContact O-N 3.39Å; A1061-F1063 PolarHBondContact O-N 2.91Å; A1061-K1064 WeakPolarHBondContact O-CB 3.15Å; A1061-K1064 WeakPolarHBondContact O-CG 3.43Å; A1061-K1064 PolarHBondContact O-N 2.78Å; A1061-K1064 VanDerWaalsContact O-N 3.14Å
1062Q80.9Confident81.6Confident48 Ų4872.3 Ų72.322%0.22438%0.378CS..G310 helixtrans-67-22-179.3-65.7175.81.700113.2S783 T786 S1059 A1060 K1064 Q1065S783-Q1062 VanDerWaalsContact CA-OE1 3.23Å; S783-Q1062 PolarHBondContact O-OE1 2.62Å; S783-Q1062 PolarHBondContact OG-OE1 3.3Å; T786-Q1062 PolarHBondContact OG1-NE2 3.02Å; T786-Q1062 PolarHBondContact OG1-OE1 2.88Å; S1059-Q1062 WeakPolarHBondContact O-CB 3.34Å; S1059-Q1062 PolarHBondContact O-N 2.99Å; A1060-Q1062 PolarHBondContact O-N 2.93Å; Q1062-K1064 PolarHBondContact O-N 3.18Å; Q1062-Q1065 VanDerWaalsContact O-CB 3.31Å; Q1062-Q1065 WeakPolarHBondContact O-CB 3.29Å; Q1062-Q1065 WeakPolarHBondContact O-CG 3.42Å; Q1062-Q1065 PolarHBondContact O-N 3.44Å
1063F85.8Confident82.3Confident82 Ų8273.3 Ų73.336%0.3639%0.386SS..G310 helixtrans-56-24171.2-80.2-85.8000113.1C787 A1060 A1061 Q1065 L1066 W1080 F1084C787-F1063 HydrophobicContact CB-CE2 3.95Å; C787-F1063 HydrophobicContact CB-CZ 4.22Å; A1060-F1063 WeakPolarHBondContact O-CD2 3.33Å; A1060-F1063 PolarHBondContact O-N 2.94Å; A1061-F1063 PolarHBondContact O-N 2.91Å; F1063-Q1065 PolarHBondContact O-N 3.45Å; F1063-L1066 HydrophobicContact CB-CD1 4.48Å; F1063-L1066 HydrophobicContact CD1-CD1 3.75Å; F1063-L1066 PolarHBondContact O-N 2.98Å; F1063-W1080 AromaticContact CD1-CH2 3.77Å; F1063-W1080 HydrophobicContact CD1-CH2 3.77Å; F1063-W1080 HydrophobicContact CD1-CZ2 4.37Å; F1063-W1080 AromaticContact CE1-CH2 3.62Å; F1063-W1080 HydrophobicContact CE1-CH2 3.62Å; F1063-W1080 HydrophobicContact CE1-CZ2 4.48Å; F1063-W1080 HydrophobicContact CE1-CZ3 4.48Å; F1063-W1080 HydrophobicContact CG-CH2 4.48Å; F1063-W1080 HydrophobicContact CZ-CH2 4.22Å; F1063-F1084 HydrophobicContact CE1-CE2 4.17Å; F1063-F1084 HydrophobicContact CE1-CZ 4.1Å; F1063-F1084 HydrophobicContact CE2-CE2 4.45Å; F1063-F1084 HydrophobicContact CZ-CD2 4.28Å; F1063-F1084 AromaticContact CZ-CE2 3.52Å; F1063-F1084 HydrophobicContact CZ-CE2 3.52Å; F1063-F1084 AromaticContact CZ-CZ 3.71Å; F1063-F1084 HydrophobicContact CZ-CZ 3.71Å
1064K86.2Confident82.8Confident170 Ų17078.9 Ų78.974%0.73941%0.409SS*.G310 helixtrans-66.1-13.6175.5-63.3-175177.5-170.40113.7A1061 Q1062 P1067A1061-K1064 WeakPolarHBondContact O-CB 3.15Å; A1061-K1064 WeakPolarHBondContact O-CG 3.43Å; A1061-K1064 PolarHBondContact O-N 2.78Å; A1061-K1064 VanDerWaalsContact O-N 3.14Å; Q1062-K1064 PolarHBondContact O-N 3.18Å; K1064-P1067 WeakPolarHBondContact O-CD 3.36Å
1065Q83.3Confident83.2Confident93 Ų9379.8 Ų79.844%0.43542%0.416SS..G310 helixtrans-79-21.5178.3-63.6177.8-24.100113S783 Q1062 F1063 V1068 L1069S783-Q1065 PolarHBondContact OG-OE1 2.97Å; Q1062-Q1065 VanDerWaalsContact O-CB 3.31Å; Q1062-Q1065 WeakPolarHBondContact O-CB 3.29Å; Q1062-Q1065 WeakPolarHBondContact O-CG 3.42Å; Q1062-Q1065 PolarHBondContact O-N 3.44Å; F1063-Q1065 PolarHBondContact O-N 3.45Å; Q1065-V1068 WeakPolarHBondContact O-CB 3.28Å; Q1065-V1068 PolarHBondContact O-N 3.5Å; Q1065-V1068 VanDerWaalsContact O-N 3.08Å; Q1065-L1069 PolarHBondContact O-N 2.92Å
1066L89.9Confident83.9Confident43 Ų4381.8 Ų81.823%0.22542%0.423CS..Hα-helixtrans-53.8-48.6-175.9-76.8160.3000113.8F1063 V1068 L1069 W1070 L1077 W1080 L1081F1063-L1066 HydrophobicContact CB-CD1 4.48Å; F1063-L1066 HydrophobicContact CD1-CD1 3.75Å; F1063-L1066 PolarHBondContact O-N 2.98Å; L1066-V1068 VanDerWaalsContact C-N 3.26Å; L1066-V1068 PolarHBondContact O-N 3.3Å; L1066-L1069 PolarHBondContact O-N 3.47Å; L1066-W1070 PolarHBondContact O-N 3.14Å; L1066-L1077 HydrophobicContact CD2-CD1 3.41Å; L1066-L1077 VanDerWaalsContact CD2-CD1 3.41Å; L1066-W1080 HydrophobicContact CD1-CH2 3.97Å; L1066-W1080 HydrophobicContact CD1-CZ3 4.04Å; L1066-W1080 HydrophobicContact CD2-CD2 3.96Å; L1066-W1080 HydrophobicContact CD2-CE3 3.5Å; L1066-W1080 VanDerWaalsContact CD2-CE3 3.5Å; L1066-W1080 HydrophobicContact CD2-CH2 4.25Å; L1066-W1080 HydrophobicContact CD2-CZ3 3.68Å; L1066-W1080 HydrophobicContact CG-CE3 4.32Å; L1066-W1080 HydrophobicContact CG-CH2 4.27Å; L1066-W1080 HydrophobicContact CG-CZ2 4.47Å; L1066-W1080 HydrophobicContact CG-CZ3 4.19Å; L1066-L1081 HydrophobicContact CD2-CD2 4.15Å
1067P91.4Very high84.7Confident82 Ų8281.3 Ų81.353%0.53242%0.421SS..Hα-helixtrans-67.6-27.6179.9-19.433.9000113.2K1064K1064-P1067 WeakPolarHBondContact O-CD 3.36Å
1068V89.9Confident85.4Confident92 Ų9275.1 Ų75.156%0.55840%0.404SS*.Hα-helixtrans-72.5-48.8177.2-178.60000109.5Q1065 L1066 W1070 K1071 T1072Q1065-V1068 WeakPolarHBondContact O-CB 3.28Å; Q1065-V1068 PolarHBondContact O-N 3.5Å; Q1065-V1068 VanDerWaalsContact O-N 3.08Å; L1066-V1068 VanDerWaalsContact C-N 3.26Å; L1066-V1068 PolarHBondContact O-N 3.3Å; V1068-W1070 VanDerWaalsContact C-N 3.3Å; V1068-W1070 PolarHBondContact O-N 3.47Å; V1068-K1071 PolarHBondContact O-N 3.25Å; V1068-T1072 PolarHBondContact O-N 3.24Å; V1068-T1072 PolarHBondContact O-OG1 3.28Å
1069L89.2Confident86.4Confident29 Ų2973.3 Ų73.315%0.15239%0.385CS..Hα-helixtrans-59.2-39.8177.8-71.1172.5000112.1Q1065 L1066 K1071 T1072 S1073 D1076 L1077 W1080Q1065-L1069 PolarHBondContact O-N 2.92Å; L1066-L1069 PolarHBondContact O-N 3.47Å; L1069-K1071 VanDerWaalsContact C-N 3.25Å; L1069-K1071 PolarHBondContact O-N 3.11Å; L1069-T1072 PolarHBondContact O-N 3.1Å; L1069-S1073 CarbonylContact O-C 3.55Å; L1069-S1073 PolarHBondContact O-N 3.25Å; L1069-D1076 HydrophobicContact CD2-CB 4.11Å; L1069-L1077 HydrophobicContact CB-CB 4.11Å; L1069-L1077 HydrophobicContact CB-CD1 4.13Å; L1069-W1080 HydrophobicContact CD1-CB 4.33Å; L1069-W1080 HydrophobicContact CD1-CG 4.36Å
1070W92.8Very high87.3Confident159 Ų15972.6 Ų72.660%0.60238%0.379SS*.Hα-helixtrans-57.6-37.3175.5-177.6-91000113L1066 V1068 L1077L1066-W1070 PolarHBondContact O-N 3.14Å; V1068-W1070 VanDerWaalsContact C-N 3.3Å; V1068-W1070 PolarHBondContact O-N 3.47Å; W1070-L1077 HydrophobicContact CB-CD2 4.15Å; W1070-L1077 HydrophobicContact CD2-CD2 4.19Å; W1070-L1077 HydrophobicContact CE3-CD2 3.23Å; W1070-L1077 HydrophobicContact CZ3-CD2 3.92Å
1071K92Very high88.1Confident183 Ų18372.7 Ų72.780%0.79637%0.372SS*.Hα-helixtrans-80.8-31.2-179.3-69.4-178.3179.9-1750113.1V1068 L1069V1068-K1071 PolarHBondContact O-N 3.25Å; L1069-K1071 VanDerWaalsContact C-N 3.25Å; L1069-K1071 PolarHBondContact O-N 3.11Å
1072T88.1Confident88.8Confident117 Ų11772.5 Ų72.572%0.71837%0.366SS*.Hα-helixtrans-91.5-51.3-175.2-47.40000112.7V1068 L1069V1068-T1072 PolarHBondContact O-N 3.24Å; V1068-T1072 PolarHBondContact O-OG1 3.28Å; L1069-T1072 PolarHBondContact O-N 3.1Å
1073S86.3Confident89.1Confident24 Ų2470.2 Ų70.217%0.16836%0.355CS..  trans-152.3106.4-170.7173.10000110.8L1069 S1075 D1076 L1077L1069-S1073 CarbonylContact O-C 3.55Å; L1069-S1073 PolarHBondContact O-N 3.25Å; S1073-S1075 VanDerWaalsContact C-N 3.26Å; S1073-S1075 PolarHBondContact O-N 3.46Å; S1073-S1075 PolarHBondContact OG-OG 3.18Å; S1073-S1075 VanDerWaalsContact OG-OG 3.09Å; S1073-D1076 WeakPolarHBondContact CB-OD2 3.37Å; S1073-D1076 PolarHBondContact O-N 3.23Å; S1073-D1076 PolarHBondContact OG-N 3.26Å; S1073-D1076 PolarHBondContact OG-OD2 2.79Å; S1073-L1077 PolarHBondContact O-N 2.95Å
1074K89Confident89.3Confident148 Ų14867.5 Ų67.564%0.64334%0.343SS*.Hα-helixtrans-64.9-30178.7-65.1-177.8-177.8176.40112.5A1078K1074-A1078 PolarHBondContact O-N 3.35Å; K1074-A1078 VanDerWaalsContact O-N 3.16Å
1075S85.6Confident89.6Confident35 Ų3565.5 Ų65.525%0.24533%0.332CS..Hα-helixtrans-67.3-41.7175.943.90000112S1073 L1077 A1078 V1079S1073-S1075 VanDerWaalsContact C-N 3.26Å; S1073-S1075 PolarHBondContact O-N 3.46Å; S1073-S1075 PolarHBondContact OG-OG 3.18Å; S1073-S1075 VanDerWaalsContact OG-OG 3.09Å; S1075-L1077 VanDerWaalsContact C-N 3.33Å; S1075-L1077 PolarHBondContact O-N 3.09Å; S1075-A1078 WeakPolarHBondContact O-CB 3.44Å; S1075-A1078 PolarHBondContact O-N 3.13Å; S1075-A1078 VanDerWaalsContact O-N 3.16Å; S1075-V1079 PolarHBondContact O-N 2.99Å; S1075-V1079 VanDerWaalsContact O-N 3.13Å
1076D86.2Confident89.9Confident61 Ų6161.7 Ų61.733%0.32632%0.316SS..Hα-helixtrans-68.9-35.6-179.7-67.2-26.4000111.9P780 L1069 S1073 A1078 V1079 W1080P780-D1076 HydrophobicContact CB-CB 4.47Å; P780-D1076 WeakPolarHBondContact CB-O 3.23Å; P780-D1076 HydrophobicContact CG-CB 3.86Å; L1069-D1076 HydrophobicContact CD2-CB 4.11Å; S1073-D1076 WeakPolarHBondContact CB-OD2 3.37Å; S1073-D1076 PolarHBondContact O-N 3.23Å; S1073-D1076 PolarHBondContact OG-N 3.26Å; S1073-D1076 PolarHBondContact OG-OD2 2.79Å; D1076-A1078 VanDerWaalsContact C-N 3.33Å; D1076-V1079 PolarHBondContact O-N 3.16Å; D1076-W1080 PolarHBondContact O-N 3.37Å
1077L91.5Very high89.6Confident13 Ų1359.6 Ų59.67%0.06831%0.305CS..Hα-helixtrans-61.7-41.9171-179.669.8000112L1066 L1069 W1070 S1073 S1075 V1079 W1080 L1081L1066-L1077 HydrophobicContact CD2-CD1 3.41Å; L1066-L1077 VanDerWaalsContact CD2-CD1 3.41Å; L1069-L1077 HydrophobicContact CB-CB 4.11Å; L1069-L1077 HydrophobicContact CB-CD1 4.13Å; W1070-L1077 HydrophobicContact CB-CD2 4.15Å; W1070-L1077 HydrophobicContact CD2-CD2 4.19Å; W1070-L1077 HydrophobicContact CE3-CD2 3.23Å; W1070-L1077 HydrophobicContact CZ3-CD2 3.92Å; S1073-L1077 PolarHBondContact O-N 2.95Å; S1075-L1077 VanDerWaalsContact C-N 3.33Å; S1075-L1077 PolarHBondContact O-N 3.09Å; L1077-V1079 VanDerWaalsContact C-N 3.31Å; L1077-V1079 PolarHBondContact O-N 3Å; L1077-W1080 WeakPolarHBondContact O-CB 3.46Å; L1077-W1080 PolarHBondContact O-N 3.43Å; L1077-L1081 HydrophobicContact CD1-CD1 4.37Å; L1077-L1081 HydrophobicContact CD1-CG 4.38Å; L1077-L1081 HydrophobicContact CD2-CD1 4.39Å; L1077-L1081 HydrophobicContact CG-CD1 3.99Å; L1077-L1081 HydrophobicContact CG-CG 4.39Å; L1077-L1081 WeakPolarHBondContact O-CG 3.44Å; L1077-L1081 PolarHBondContact O-N 3.41Å
1078A90.5Very high89.4Confident32 Ų3256.7 Ų56.726%0.26429%0.286SS..Hα-helixtrans-61.1-42.4178.200000111.2K1074 S1075 D1076 W1080 L1081 V1082 F1102K1074-A1078 PolarHBondContact O-N 3.35Å; K1074-A1078 VanDerWaalsContact O-N 3.16Å; S1075-A1078 WeakPolarHBondContact O-CB 3.44Å; S1075-A1078 PolarHBondContact O-N 3.13Å; S1075-A1078 VanDerWaalsContact O-N 3.16Å; D1076-A1078 VanDerWaalsContact C-N 3.33Å; A1078-W1080 VanDerWaalsContact C-N 3.33Å; A1078-W1080 PolarHBondContact O-N 2.93Å; A1078-L1081 PolarHBondContact O-N 2.94Å; A1078-V1082 WeakPolarHBondContact O-CB 3.09Å; A1078-V1082 VanDerWaalsContact O-CG2 3.31Å; A1078-V1082 WeakPolarHBondContact O-CG2 3.3Å; A1078-V1082 PolarHBondContact O-N 3.1Å; A1078-F1102 HydrophobicContact CB-CE1 3.9Å; A1078-F1102 HydrophobicContact CB-CZ 4.25Å
1079V89.6Confident89.4Confident5 Ų554.6 Ų54.63%0.0327%0.271CS..Hα-helixtrans-59.8-43.5174.2177.90000111.4L781 S1075 D1076 L1077 S1083 F1102 L1106L781-V1079 HydrophobicContact CB-CG1 3.67Å; L781-V1079 HydrophobicContact CG-CG1 4.44Å; S1075-V1079 PolarHBondContact O-N 2.99Å; S1075-V1079 VanDerWaalsContact O-N 3.13Å; D1076-V1079 PolarHBondContact O-N 3.16Å; L1077-V1079 VanDerWaalsContact C-N 3.31Å; L1077-V1079 PolarHBondContact O-N 3Å; V1079-S1083 WeakPolarHBondContact O-CB 3.46Å; V1079-S1083 PolarHBondContact O-N 3.49Å; V1079-S1083 PolarHBondContact O-OG 3.26Å; V1079-F1102 HydrophobicContact CG2-CD1 4.08Å; V1079-F1102 HydrophobicContact CG2-CE1 4.33Å; V1079-L1106 HydrophobicContact CG2-CD1 3.56Å
1080W91.3Very high89.1Confident2 Ų255.2 Ų55.21%0.00827%0.274CS..Hα-helixtrans-60.9-46.6176.9-168100.8000111.9P780 S783 C787 F1063 L1066 L1069 D1076 L1077 A1078 S1083 F1084P780-W1080 HydrophobicContact CB-CB 4.14Å; S783-W1080 PolarHBondContact OG-NE1 2.97Å; C787-W1080 HydrophobicContact CB-CZ2 4.2Å; F1063-W1080 AromaticContact CD1-CH2 3.77Å; F1063-W1080 HydrophobicContact CD1-CH2 3.77Å; F1063-W1080 HydrophobicContact CD1-CZ2 4.37Å; F1063-W1080 AromaticContact CE1-CH2 3.62Å; F1063-W1080 HydrophobicContact CE1-CH2 3.62Å; F1063-W1080 HydrophobicContact CE1-CZ2 4.48Å; F1063-W1080 HydrophobicContact CE1-CZ3 4.48Å; F1063-W1080 HydrophobicContact CG-CH2 4.48Å; F1063-W1080 HydrophobicContact CZ-CH2 4.22Å; L1066-W1080 HydrophobicContact CD1-CH2 3.97Å; L1066-W1080 HydrophobicContact CD1-CZ3 4.04Å; L1066-W1080 HydrophobicContact CD2-CD2 3.96Å; L1066-W1080 HydrophobicContact CD2-CE3 3.5Å; L1066-W1080 VanDerWaalsContact CD2-CE3 3.5Å; L1066-W1080 HydrophobicContact CD2-CH2 4.25Å; L1066-W1080 HydrophobicContact CD2-CZ3 3.68Å; L1066-W1080 HydrophobicContact CG-CE3 4.32Å; L1066-W1080 HydrophobicContact CG-CH2 4.27Å; L1066-W1080 HydrophobicContact CG-CZ2 4.47Å; L1066-W1080 HydrophobicContact CG-CZ3 4.19Å; L1069-W1080 HydrophobicContact CD1-CB 4.33Å; L1069-W1080 HydrophobicContact CD1-CG 4.36Å; D1076-W1080 PolarHBondContact O-N 3.37Å; L1077-W1080 WeakPolarHBondContact O-CB 3.46Å; L1077-W1080 PolarHBondContact O-N 3.43Å; A1078-W1080 VanDerWaalsContact C-N 3.33Å; A1078-W1080 PolarHBondContact O-N 2.93Å; W1080-S1083 PolarHBondContact O-OG 3.43Å; W1080-F1084 HydrophobicContact CE3-CB 4.08Å; W1080-F1084 HydrophobicContact CH2-CB 4.19Å; W1080-F1084 HydrophobicContact CH2-CD2 4.11Å; W1080-F1084 HydrophobicContact CH2-CG 4.02Å; W1080-F1084 HydrophobicContact CZ3-CB 3.76Å; W1080-F1084 HydrophobicContact CZ3-CD1 4.18Å; W1080-F1084 HydrophobicContact CZ3-CD2 4.41Å; W1080-F1084 AromaticContact CZ3-CG 3.85Å; W1080-F1084 HydrophobicContact CZ3-CG 3.85Å; W1080-F1084 VanDerWaalsContact O-CB 3.31Å; W1080-F1084 WeakPolarHBondContact O-CB 3.12Å; W1080-F1084 PolarHBondContact O-N 3.15Å
1081L93Very high88.2Confident57 Ų5749.4 Ų49.430%0.29826%0.255SS..Hα-helixtrans-67.7-45.7-178.5-69.8169.6000111.7L1066 L1077 A1078 S1083 F1084 Y1085L1066-L1081 HydrophobicContact CD2-CD2 4.15Å; L1077-L1081 HydrophobicContact CD1-CD1 4.37Å; L1077-L1081 HydrophobicContact CD1-CG 4.38Å; L1077-L1081 HydrophobicContact CD2-CD1 4.39Å; L1077-L1081 HydrophobicContact CG-CD1 3.99Å; L1077-L1081 HydrophobicContact CG-CG 4.39Å; L1077-L1081 WeakPolarHBondContact O-CG 3.44Å; L1077-L1081 PolarHBondContact O-N 3.41Å; A1078-L1081 PolarHBondContact O-N 2.94Å; L1081-S1083 PolarHBondContact O-N 3.1Å; L1081-F1084 PolarHBondContact O-N 3.05Å; L1081-Y1085 HydrophobicContact CB-CD2 4.28Å; L1081-Y1085 HydrophobicContact CB-CE2 4.31Å; L1081-Y1085 HydrophobicContact CD2-CE2 3.94Å; L1081-Y1085 WeakPolarHBondContact O-CD2 3.49Å; L1081-Y1085 PolarHBondContact O-N 3.29Å
1082V92Very high87.1Confident48 Ų4841 Ų4129%0.29122%0.22SC..Hα-helixtrans-60.2-47.3178.7170.50000110.6A1078 A1086 F1102A1078-V1082 WeakPolarHBondContact O-CB 3.09Å; A1078-V1082 VanDerWaalsContact O-CG2 3.31Å; A1078-V1082 WeakPolarHBondContact O-CG2 3.3Å; A1078-V1082 PolarHBondContact O-N 3.1Å; V1082-A1086 WeakPolarHBondContact O-CB 3.49Å; V1082-A1086 PolarHBondContact O-N 2.87Å; V1082-F1102 HydrophobicContact CB-CD1 4.16Å; V1082-F1102 HydrophobicContact CB-CE1 4.49Å; V1082-F1102 HydrophobicContact CB-CG 4.39Å; V1082-F1102 HydrophobicContact CG1-CB 4.11Å; V1082-F1102 HydrophobicContact CG1-CD1 4.36Å; V1082-F1102 HydrophobicContact CG1-CG 4.11Å; V1082-F1102 HydrophobicContact CG2-CD1 4Å; V1082-F1102 HydrophobicContact CG2-CD2 4.4Å; V1082-F1102 HydrophobicContact CG2-CE1 3.89Å; V1082-F1102 HydrophobicContact CG2-CE2 4.32Å; V1082-F1102 HydrophobicContact CG2-CG 4.25Å; V1082-F1102 HydrophobicContact CG2-CZ 4.07Å
1083S88Confident86.3Confident0 Ų037 Ų370%019%0.194CC..Hα-helixtrans-63.8-41.7178.256.10000112.6L781 V1079 W1080 L1081 A1087L781-S1083 PolarHBondContact O-OG 3.25Å; V1079-S1083 WeakPolarHBondContact O-CB 3.46Å; V1079-S1083 PolarHBondContact O-N 3.49Å; V1079-S1083 PolarHBondContact O-OG 3.26Å; W1080-S1083 PolarHBondContact O-OG 3.43Å; L1081-S1083 PolarHBondContact O-N 3.1Å; S1083-A1087 WeakPolarHBondContact O-CB 3.46Å; S1083-A1087 PolarHBondContact O-N 3.4Å
1084F90.5Very high85.9Confident24 Ų2442 Ų4211%0.10521%0.209CC..Hα-helixtrans-62.2-55176.1174-102.6000112.2G784 C787 V791 F1063 W1080 L1081 A1087 V1088G784-F1084 WeakPolarHBondContact O-CA 3.41Å; C787-F1084 HydrophobicContact CB-CD2 3.76Å; C787-F1084 HydrophobicContact CB-CE2 4.02Å; V791-F1084 HydrophobicContact CG2-CE2 4.39Å; F1063-F1084 HydrophobicContact CE1-CE2 4.17Å; F1063-F1084 HydrophobicContact CE1-CZ 4.1Å; F1063-F1084 HydrophobicContact CE2-CE2 4.45Å; F1063-F1084 HydrophobicContact CZ-CD2 4.28Å; F1063-F1084 AromaticContact CZ-CE2 3.52Å; F1063-F1084 HydrophobicContact CZ-CE2 3.52Å; F1063-F1084 AromaticContact CZ-CZ 3.71Å; F1063-F1084 HydrophobicContact CZ-CZ 3.71Å; W1080-F1084 HydrophobicContact CE3-CB 4.08Å; W1080-F1084 HydrophobicContact CH2-CB 4.19Å; W1080-F1084 HydrophobicContact CH2-CD2 4.11Å; W1080-F1084 HydrophobicContact CH2-CG 4.02Å; W1080-F1084 HydrophobicContact CZ3-CB 3.76Å; W1080-F1084 HydrophobicContact CZ3-CD1 4.18Å; W1080-F1084 HydrophobicContact CZ3-CD2 4.41Å; W1080-F1084 AromaticContact CZ3-CG 3.85Å; W1080-F1084 HydrophobicContact CZ3-CG 3.85Å; W1080-F1084 VanDerWaalsContact O-CB 3.31Å; W1080-F1084 WeakPolarHBondContact O-CB 3.12Å; W1080-F1084 PolarHBondContact O-N 3.15Å; L1081-F1084 PolarHBondContact O-N 3.05Å; F1084-A1087 PolarHBondContact O-N 2.88Å; F1084-V1088 HydrophobicContact CD2-CG2 4.23Å; F1084-V1088 HydrophobicContact CE1-CG2 4.23Å; F1084-V1088 HydrophobicContact CE2-CG2 3.79Å; F1084-V1088 HydrophobicContact CZ-CG2 3.8Å; F1084-V1088 WeakPolarHBondContact O-CG2 3.45Å; F1084-V1088 PolarHBondContact O-N 3.06Å
1085Y91.9Very high85.3Confident128 Ų12835 Ų3550%0.50218%0.179SC..Hα-helixtrans-65.5-42.5-177.2-75.2-63.7000111.7L1081 A1087 V1088 I1089L1081-Y1085 HydrophobicContact CB-CD2 4.28Å; L1081-Y1085 HydrophobicContact CB-CE2 4.31Å; L1081-Y1085 HydrophobicContact CD2-CE2 3.94Å; L1081-Y1085 WeakPolarHBondContact O-CD2 3.49Å; L1081-Y1085 PolarHBondContact O-N 3.29Å; Y1085-A1087 VanDerWaalsContact C-N 3.3Å; Y1085-A1087 PolarHBondContact O-N 2.82Å; Y1085-V1088 PolarHBondContact O-N 3.41Å; Y1085-I1089 HydrophobicContact CD1-CD1 4.47Å; Y1085-I1089 WeakPolarHBondContact O-CB 3.46Å; Y1085-I1089 WeakPolarHBondContact O-CG1 3.42Å; Y1085-I1089 PolarHBondContact O-N 2.9Å
1086A89.2Confident84.7Confident13 Ų1333.7 Ų33.711%0.10717%0.169CC..Hα-helixtrans-61.9-38.4176.600000112V1082 L1090 L1098V1082-A1086 WeakPolarHBondContact O-CB 3.49Å; V1082-A1086 PolarHBondContact O-N 2.87Å; A1086-L1090 WeakPolarHBondContact O-CB 3.29Å; A1086-L1090 PolarHBondContact O-N 3.28Å; A1086-L1090 VanDerWaalsContact O-N 3.09Å; A1086-L1098 HydrophobicContact CB-CB 4.18Å; A1086-L1098 HydrophobicContact CB-CD1 3.94Å
1087A84Confident84.3Confident0 Ų034 Ų340%017%0.17CC..Hα-helixtrans-67.3-41.6176.300000113F785 H792 S1083 F1084 Y1085 D1091 A1092F785-A1087 HydrophobicContact CD2-CB 4.21Å; H792-A1087 PolarHBondContact CD2-O 3.22Å; H792-A1087 PolarHBondContact NE2-O 3.03Å; S1083-A1087 WeakPolarHBondContact O-CB 3.46Å; S1083-A1087 PolarHBondContact O-N 3.4Å; F1084-A1087 PolarHBondContact O-N 2.88Å; Y1085-A1087 VanDerWaalsContact C-N 3.3Å; Y1085-A1087 PolarHBondContact O-N 2.82Å; A1087-D1091 WeakPolarHBondContact CA-O 3.4Å; A1087-D1091 CarbonylContact O-C 3.55Å; A1087-D1091 VanDerWaalsContact O-C 3.22Å; A1087-A1092 PolarHBondContact O-N 3.14Å
1088V87.8Confident84Confident20 Ų2036.4 Ų36.412%0.12118%0.183CC..Hα-helixtrans-69.1-46179.6170.90000111.1V791 H792 L815 F1084 Y1085V791-V1088 HydrophobicContact CB-CG2 4.41Å; V791-V1088 HydrophobicContact CG2-CG2 4.38Å; H792-V1088 PolarHBondContact NE2-O 3.26Å; L815-V1088 HydrophobicContact CD2-CG1 3.57Å; F1084-V1088 HydrophobicContact CD2-CG2 4.23Å; F1084-V1088 HydrophobicContact CE1-CG2 4.23Å; F1084-V1088 HydrophobicContact CE2-CG2 3.79Å; F1084-V1088 HydrophobicContact CZ-CG2 3.8Å; F1084-V1088 WeakPolarHBondContact O-CG2 3.45Å; F1084-V1088 PolarHBondContact O-N 3.06Å; Y1085-V1088 PolarHBondContact O-N 3.41Å
1089I88.7Confident83.6Confident49 Ų4934.9 Ų34.925%0.25117%0.17SC..Hα-helixtrans-81.1-52.9-167.9-68.6177.8000111.9W813 Y1085W813-I1089 VanDerWaalsContact CA-O 3.22Å; W813-I1089 WeakPolarHBondContact CA-O 3.26Å; W813-I1089 HydrophobicContact CD2-CG2 4.16Å; W813-I1089 HydrophobicContact CE3-CG2 3.24Å; W813-I1089 HydrophobicContact CH2-CG2 3.48Å; W813-I1089 VanDerWaalsContact CH2-CG2 3.48Å; W813-I1089 HydrophobicContact CZ2-CG2 4.35Å; W813-I1089 HydrophobicContact CZ3-CB 4.36Å; W813-I1089 HydrophobicContact CZ3-CG2 2.88Å; W813-I1089 PolarHBondContact N-O 2.89Å; Y1085-I1089 HydrophobicContact CD1-CD1 4.47Å; Y1085-I1089 WeakPolarHBondContact O-CB 3.46Å; Y1085-I1089 WeakPolarHBondContact O-CG1 3.42Å; Y1085-I1089 PolarHBondContact O-N 2.9Å
1090L83.1Confident83Confident41 Ų4136 Ų3622%0.21518%0.177CC..THydrogen-bonded Turntrans-85.3-71.9-174-62.8172.3000109.4P812 W813 A1086 W1094 L1098P812-L1090 HydrophobicContact CB-CD2 4.36Å; W813-L1090 HydrophobicContact CH2-CD2 4.35Å; W813-L1090 HydrophobicContact CZ2-CD2 3.85Å; W813-L1090 PolarHBondContact N-O 3.02Å; A1086-L1090 WeakPolarHBondContact O-CB 3.29Å; A1086-L1090 PolarHBondContact O-N 3.28Å; A1086-L1090 VanDerWaalsContact O-N 3.09Å; L1090-W1094 HydrophobicContact CB-CB 3.68Å; L1090-W1094 HydrophobicContact CB-CG 4.18Å; L1090-W1094 HydrophobicContact CD1-CB 3.91Å; L1090-W1094 HydrophobicContact CD1-CG 4.47Å; L1090-W1094 HydrophobicContact CG-CB 4.47Å; L1090-L1098 HydrophobicContact CD1-CD1 3.48Å; L1090-L1098 VanDerWaalsContact CD1-CD1 3.48Å
1091D74Confident82.7Confident38 Ų3840.8 Ų40.820%0.20320%0.202CC..  trans-175.5166.1169.6-159.3-6.6000107.7K814 A1087 L1093 W1094 G1095K814-D1091 VanDerWaalsContact CE-CG 3.49Å; K814-D1091 WeakPolarHBondContact CE-OD1 3.36Å; K814-D1091 WeakPolarHBondContact CE-OD2 3.13Å; K814-D1091 IonicContact NZ-OD1 2.79Å; K814-D1091 PolarHBondContact NZ-OD1 3.46Å; K814-D1091 IonicContact NZ-OD2 2.68Å; K814-D1091 PolarHBondContact NZ-OD2 3.36Å; A1087-D1091 WeakPolarHBondContact CA-O 3.4Å; A1087-D1091 CarbonylContact O-C 3.55Å; A1087-D1091 VanDerWaalsContact O-C 3.22Å; D1091-L1093 PolarHBondContact O-N 3.47Å; D1091-W1094 PolarHBondContact O-N 3.09Å; D1091-G1095 PolarHBondContact O-N 3.41Å
1092A69.5Low82.4Confident6 Ų641.4 Ų41.45%0.0520%0.202CC..Hα-helixtrans-49.5-44.5174.400000112I716 F785 A1087 G1095 L1096I716-A1092 HydrophobicContact CG2-CB 4.36Å; F785-A1092 HydrophobicContact CE2-CB 3.81Å; F785-A1092 WeakPolarHBondContact CE2-O 3.48Å; F785-A1092 HydrophobicContact CZ-CB 4.36Å; A1087-A1092 PolarHBondContact O-N 3.14Å; A1092-G1095 PolarHBondContact O-N 3.32Å; A1092-L1096 PolarHBondContact O-N 3.45Å; A1092-L1096 VanDerWaalsContact O-N 3.12Å
1093L70.5Confident82Confident34 Ų3440 Ų4018%0.17819%0.194CC..Hα-helixtrans-57.7-53.5179.8-175.2158.1000112.4M720 C943 D1091 G1095 L1096 I1097M720-L1093 HydrophobicContact CE-CB 4.35Å; M720-L1093 HydrophobicContact CE-CD1 4.05Å; C943-L1093 HydrophobicContact CB-CD1 3.45Å; C943-L1093 VanDerWaalsContact CB-CD1 3.45Å; C943-L1093 HydrophobicContact CB-CG 4.09Å; D1091-L1093 PolarHBondContact O-N 3.47Å; L1093-G1095 VanDerWaalsContact C-N 3.28Å; L1093-G1095 PolarHBondContact O-N 2.85Å; L1093-L1096 PolarHBondContact O-N 3.5Å; L1093-I1097 HydrophobicContact CD2-CD1 3.66Å; L1093-I1097 PolarHBondContact O-N 3.05Å
1094W77.8Confident81.7Confident129 Ų12943.2 Ų43.249%0.48921%0.211SC..Hα-helixtrans-66.4-32.7179.1-72.8108.5000112.3L1090 D1091 L1096 I1097 L1098L1090-W1094 HydrophobicContact CB-CB 3.68Å; L1090-W1094 HydrophobicContact CB-CG 4.18Å; L1090-W1094 HydrophobicContact CD1-CB 3.91Å; L1090-W1094 HydrophobicContact CD1-CG 4.47Å; L1090-W1094 HydrophobicContact CG-CB 4.47Å; D1091-W1094 PolarHBondContact O-N 3.09Å; W1094-L1096 VanDerWaalsContact C-N 3.32Å; W1094-L1096 PolarHBondContact O-N 3.41Å; W1094-I1097 PolarHBondContact O-N 3.41Å; W1094-L1098 WeakPolarHBondContact O-CB 3.42Å; W1094-L1098 WeakPolarHBondContact O-CG 3.27Å; W1094-L1098 PolarHBondContact O-N 2.95Å
1095G77.8Confident81.4Confident0 Ų044.9 Ų44.90%023%0.229CC..Hα-helixtrans-57.5-42.6173.300000113.6D1091 A1092 L1093 G1099D1091-G1095 PolarHBondContact O-N 3.41Å; A1092-G1095 PolarHBondContact O-N 3.32Å; L1093-G1095 VanDerWaalsContact C-N 3.28Å; L1093-G1095 PolarHBondContact O-N 2.85Å; G1095-G1099 PolarHBondContact O-N 3.02Å
1096L71.4Confident81Confident7 Ų740.5 Ų40.54%0.03721%0.214CC..Hα-helixtrans-68.9-48.6176.8-174.869.9000111.5F777 L781 F785 V946 V947 A1092 L1093 W1094 G1099 V1100F777-L1096 HydrophobicContact CD1-CD1 4.34Å; F777-L1096 HydrophobicContact CE1-CD1 4.26Å; L781-L1096 HydrophobicContact CD2-CD1 3.72Å; F785-L1096 HydrophobicContact CD2-CB 4.29Å; F785-L1096 HydrophobicContact CE2-CB 4.31Å; V946-L1096 HydrophobicContact CG1-CD2 4.14Å; V947-L1096 HydrophobicContact CG2-CD2 3.81Å; A1092-L1096 PolarHBondContact O-N 3.45Å; A1092-L1096 VanDerWaalsContact O-N 3.12Å; L1093-L1096 PolarHBondContact O-N 3.5Å; W1094-L1096 VanDerWaalsContact C-N 3.32Å; W1094-L1096 PolarHBondContact O-N 3.41Å; L1096-G1099 PolarHBondContact O-N 3.35Å; L1096-V1100 WeakPolarHBondContact O-CG2 3.36Å; L1096-V1100 PolarHBondContact O-N 2.89Å
1097I77.7Confident80.4Confident67 Ų6743.2 Ų43.234%0.34423%0.227SC..Hα-helixtrans-61-51.2-177.2-65175.9000110.8L1093 W1094 G1099 V1100 L1101L1093-I1097 HydrophobicContact CD2-CD1 3.66Å; L1093-I1097 PolarHBondContact O-N 3.05Å; W1094-I1097 PolarHBondContact O-N 3.41Å; I1097-G1099 VanDerWaalsContact C-N 3.3Å; I1097-G1099 PolarHBondContact O-N 3.33Å; I1097-V1100 PolarHBondContact O-N 3.39Å; I1097-L1101 HydrophobicContact CG2-CD1 3.91Å; I1097-L1101 HydrophobicContact CG2-CG 4.44Å; I1097-L1101 WeakPolarHBondContact O-CG 3.38Å; I1097-L1101 PolarHBondContact O-N 3.39Å
1098L85Confident80.2Confident65 Ų6545.8 Ų45.834%0.3424%0.241SC..Hα-helixtrans-64.8-36.8179.5-70.9170.1000111.6A1086 L1090 W1094 F1102A1086-L1098 HydrophobicContact CB-CB 4.18Å; A1086-L1098 HydrophobicContact CB-CD1 3.94Å; L1090-L1098 HydrophobicContact CD1-CD1 3.48Å; L1090-L1098 VanDerWaalsContact CD1-CD1 3.48Å; W1094-L1098 WeakPolarHBondContact O-CB 3.42Å; W1094-L1098 WeakPolarHBondContact O-CG 3.27Å; W1094-L1098 PolarHBondContact O-N 2.95Å; L1098-F1102 WeakPolarHBondContact O-CB 3.34Å; L1098-F1102 PolarHBondContact O-N 3.11Å
1099G82.1Confident79.8Confident0 Ų052 Ų520%026%0.262CS..Hα-helixtrans-58.6-46.717300000112.5L781 G1095 L1096 I1097 F1102 S1103L781-G1099 WeakPolarHBondContact CD1-O 3.22Å; G1095-G1099 PolarHBondContact O-N 3.02Å; L1096-G1099 PolarHBondContact O-N 3.35Å; I1097-G1099 VanDerWaalsContact C-N 3.3Å; I1097-G1099 PolarHBondContact O-N 3.33Å; G1099-F1102 PolarHBondContact O-N 3.02Å; G1099-S1103 WeakPolarHBondContact O-CB 3.2Å; G1099-S1103 PolarHBondContact O-N 3.3Å
1100V77.9Confident79.3Confident29 Ų2953.6 Ų53.618%0.17627%0.268CS..Hα-helixtrans-67.1-48-179.6173.10000110.5F777 L781 L1096 I1097 F1102 S1103 L1104F777-V1100 HydrophobicContact CD1-CG2 3.78Å; F777-V1100 HydrophobicContact CE1-CG2 3.63Å; L781-V1100 HydrophobicContact CD1-CB 4.34Å; L781-V1100 HydrophobicContact CD1-CG2 3.76Å; L1096-V1100 WeakPolarHBondContact O-CG2 3.36Å; L1096-V1100 PolarHBondContact O-N 2.89Å; I1097-V1100 PolarHBondContact O-N 3.39Å; V1100-F1102 VanDerWaalsContact C-N 3.28Å; V1100-F1102 PolarHBondContact O-N 3.04Å; V1100-S1103 PolarHBondContact O-N 3.44Å; V1100-S1103 VanDerWaalsContact O-N 3.12Å; V1100-S1103 PolarHBondContact O-OG 3.42Å; V1100-L1104 HydrophobicContact CG1-CD1 4.13Å; V1100-L1104 WeakPolarHBondContact O-CG 3.46Å; V1100-L1104 PolarHBondContact O-N 2.83Å
1101L84.3Confident78.7Confident101 Ų10153.4 Ų53.453%0.52927%0.267SS..Hα-helixtrans-58.7-42.2178.2-70.6174.3000111.7I1097 L1104 A1105I1097-L1101 HydrophobicContact CG2-CD1 3.91Å; I1097-L1101 HydrophobicContact CG2-CG 4.44Å; I1097-L1101 WeakPolarHBondContact O-CG 3.38Å; I1097-L1101 PolarHBondContact O-N 3.39Å; L1101-L1104 PolarHBondContact O-N 3.3Å; L1101-A1105 WeakPolarHBondContact O-CB 3.44Å; L1101-A1105 PolarHBondContact O-N 2.95Å
1102F88Confident78.5Confident71 Ų7156.1 Ų56.131%0.31128%0.279SS..Hα-helixtrans-66-39.2176.8-170.7-102.5000112.2A1078 V1079 V1082 L1098 G1099 V1100 L1104 A1105 L1106A1078-F1102 HydrophobicContact CB-CE1 3.9Å; A1078-F1102 HydrophobicContact CB-CZ 4.25Å; V1079-F1102 HydrophobicContact CG2-CD1 4.08Å; V1079-F1102 HydrophobicContact CG2-CE1 4.33Å; V1082-F1102 HydrophobicContact CB-CD1 4.16Å; V1082-F1102 HydrophobicContact CB-CE1 4.49Å; V1082-F1102 HydrophobicContact CB-CG 4.39Å; V1082-F1102 HydrophobicContact CG1-CB 4.11Å; V1082-F1102 HydrophobicContact CG1-CD1 4.36Å; V1082-F1102 HydrophobicContact CG1-CG 4.11Å; V1082-F1102 HydrophobicContact CG2-CD1 4Å; V1082-F1102 HydrophobicContact CG2-CD2 4.4Å; V1082-F1102 HydrophobicContact CG2-CE1 3.89Å; V1082-F1102 HydrophobicContact CG2-CE2 4.32Å; V1082-F1102 HydrophobicContact CG2-CG 4.25Å; V1082-F1102 HydrophobicContact CG2-CZ 4.07Å; L1098-F1102 WeakPolarHBondContact O-CB 3.34Å; L1098-F1102 PolarHBondContact O-N 3.11Å; G1099-F1102 PolarHBondContact O-N 3.02Å; V1100-F1102 VanDerWaalsContact C-N 3.28Å; V1100-F1102 PolarHBondContact O-N 3.04Å; F1102-L1104 PolarHBondContact O-N 3.27Å; F1102-A1105 PolarHBondContact O-N 3.21Å; F1102-L1106 HydrophobicContact CD1-CD1 3.87Å; F1102-L1106 HydrophobicContact CD1-CG 4.41Å; F1102-L1106 HydrophobicContact CE1-CD1 3.42Å; F1102-L1106 VanDerWaalsContact CE1-CD1 3.42Å; F1102-L1106 HydrophobicContact CE1-CG 4.06Å; F1102-L1106 HydrophobicContact CZ-CD1 4.05Å; F1102-L1106 HydrophobicContact CZ-CG 4.3Å; F1102-L1106 PolarHBondContact O-N 2.96Å
1103S83.5Confident78.5Confident17 Ų1762.7 Ų62.712%0.11930%0.302CS..Hα-helixtrans-63.5-39.4175.174.70000112.6G1099 V1100 L1106 L1107G1099-S1103 WeakPolarHBondContact O-CB 3.2Å; G1099-S1103 PolarHBondContact O-N 3.3Å; V1100-S1103 PolarHBondContact O-N 3.44Å; V1100-S1103 VanDerWaalsContact O-N 3.12Å; V1100-S1103 PolarHBondContact O-OG 3.42Å; S1103-L1106 PolarHBondContact O-N 3.44Å; S1103-L1107 PolarHBondContact O-N 3.2Å
1104L80.7Confident78.1Confident68 Ų6866.7 Ų66.736%0.35632%0.316SS..Hα-helixtrans-68.3-40.5175.6-71.2172.5000111.8Y776 V1100 L1101 F1102 L1106 L1107 N1108Y776-L1104 HydrophobicContact CD1-CD2 3.48Å; Y776-L1104 VanDerWaalsContact CD1-CD2 3.48Å; Y776-L1104 HydrophobicContact CE1-CD2 3.8Å; Y776-L1104 HydrophobicContact CG-CD2 3.97Å; V1100-L1104 HydrophobicContact CG1-CD1 4.13Å; V1100-L1104 WeakPolarHBondContact O-CG 3.46Å; V1100-L1104 PolarHBondContact O-N 2.83Å; L1101-L1104 PolarHBondContact O-N 3.3Å; F1102-L1104 PolarHBondContact O-N 3.27Å; L1104-L1106 VanDerWaalsContact C-N 3.33Å; L1104-L1106 PolarHBondContact O-N 3.28Å; L1104-L1107 WeakPolarHBondContact O-CB 3.1Å; L1104-L1107 PolarHBondContact O-N 3.4Å; L1104-N1108 PolarHBondContact O-N 3.17Å
1105A84.3Confident77.2Confident59 Ų5963 Ų6349%0.48831%0.305SS..Hα-helixtrans-62.6-40.317600000111.9L1101 F1102 N1108 R1109L1101-A1105 WeakPolarHBondContact O-CB 3.44Å; L1101-A1105 PolarHBondContact O-N 2.95Å; F1102-A1105 PolarHBondContact O-N 3.21Å; A1105-N1108 PolarHBondContact O-N 2.95Å; A1105-R1109 PolarHBondContact O-N 3.21Å
1106L83.3Confident76.2Confident36 Ų3669.9 Ų69.919%0.18834%0.338CS..Hα-helixtrans-66.9-37.9174.2-77.3176.5000112.5V1079 F1102 S1103 L1104 N1108 R1109 Q1110V1079-L1106 HydrophobicContact CG2-CD1 3.56Å; F1102-L1106 HydrophobicContact CD1-CD1 3.87Å; F1102-L1106 HydrophobicContact CD1-CG 4.41Å; F1102-L1106 HydrophobicContact CE1-CD1 3.42Å; F1102-L1106 VanDerWaalsContact CE1-CD1 3.42Å; F1102-L1106 HydrophobicContact CE1-CG 4.06Å; F1102-L1106 HydrophobicContact CZ-CD1 4.05Å; F1102-L1106 HydrophobicContact CZ-CG 4.3Å; F1102-L1106 PolarHBondContact O-N 2.96Å; S1103-L1106 PolarHBondContact O-N 3.44Å; L1104-L1106 VanDerWaalsContact C-N 3.33Å; L1104-L1106 PolarHBondContact O-N 3.28Å; L1106-N1108 VanDerWaalsContact C-N 3.33Å; L1106-N1108 PolarHBondContact O-N 3.46Å; L1106-R1109 PolarHBondContact O-N 3.19Å; L1106-Q1110 WeakPolarHBondContact O-CB 3.37Å; L1106-Q1110 WeakPolarHBondContact O-CG 3.19Å; L1106-Q1110 PolarHBondContact O-N 2.95Å
1107L78Confident75.3Confident70 Ų7075.5 Ų75.537%0.36637%0.368SS..Hα-helixtrans-61.2-43174.4-176.768.5000111.2Y776 S1103 L1104 R1109 Q1110 L1111Y776-L1107 HydrophobicContact CE1-CD2 4.12Å; S1103-L1107 PolarHBondContact O-N 3.2Å; L1104-L1107 WeakPolarHBondContact O-CB 3.1Å; L1104-L1107 PolarHBondContact O-N 3.4Å; L1107-R1109 VanDerWaalsContact C-N 3.34Å; L1107-R1109 PolarHBondContact O-N 3.04Å; L1107-Q1110 PolarHBondContact O-N 3.2Å; L1107-L1111 HydrophobicContact CG-CD1 4.35Å; L1107-L1111 WeakPolarHBondContact O-CG 3.42Å; L1107-L1111 PolarHBondContact O-N 3.38Å
1108N79.1Confident74.3Confident55 Ų5573.9 Ų73.929%0.29436%0.359SS..Hα-helixtrans-60.7-44.8175-173.337000111.6L1104 A1105 L1106 Q1110 L1111 Q1112 L1174L1104-N1108 PolarHBondContact O-N 3.17Å; A1105-N1108 PolarHBondContact O-N 2.95Å; L1106-N1108 VanDerWaalsContact C-N 3.33Å; L1106-N1108 PolarHBondContact O-N 3.46Å; N1108-Q1110 VanDerWaalsContact C-N 3.33Å; N1108-Q1110 PolarHBondContact O-N 3.42Å; N1108-L1111 WeakPolarHBondContact O-CB 3.33Å; N1108-L1111 PolarHBondContact O-N 3.26Å; N1108-Q1112 WeakPolarHBondContact O-CG 3.43Å; N1108-Q1112 PolarHBondContact O-N 2.94Å; N1108-L1174 WeakPolarHBondContact OD1-CD1 3.24Å
1109R80.2Confident72.8Confident149 Ų14972.9 Ų72.956%0.56236%0.355SS*.Hα-helixtrans-63.9-37.1176-174.4176.3177.6144.73.8112.6A1105 L1106 L1107 Q1112 R1113A1105-R1109 PolarHBondContact O-N 3.21Å; L1106-R1109 PolarHBondContact O-N 3.19Å; L1107-R1109 VanDerWaalsContact C-N 3.34Å; L1107-R1109 PolarHBondContact O-N 3.04Å; R1109-Q1112 PolarHBondContact O-N 3.04Å; R1109-R1113 PolarHBondContact O-N 3.23Å
1110Q76.4Confident71.4Confident83 Ų8374.3 Ų74.339%0.38836%0.364SS..Hα-helixtrans-65.8-42.9174.7-76.6176.2-14.500111.2L1106 L1107 N1108 Q1112 R1113 Y1114L1106-Q1110 WeakPolarHBondContact O-CB 3.37Å; L1106-Q1110 WeakPolarHBondContact O-CG 3.19Å; L1106-Q1110 PolarHBondContact O-N 2.95Å; L1107-Q1110 PolarHBondContact O-N 3.2Å; N1108-Q1110 VanDerWaalsContact C-N 3.33Å; N1108-Q1110 PolarHBondContact O-N 3.42Å; Q1110-Q1112 VanDerWaalsContact C-N 3.31Å; Q1110-Q1112 PolarHBondContact O-N 2.84Å; Q1110-R1113 PolarHBondContact O-N 3.47Å; Q1110-Y1114 VanDerWaalsContact O-CD2 3.24Å; Q1110-Y1114 WeakPolarHBondContact O-CD2 3.14Å; Q1110-Y1114 PolarHBondContact O-N 3.27Å
1111L70.9Confident70.3Confident38 Ų3874 Ų7420%0.19936%0.362CS..Hα-helixtrans-58.9-41.7173.7-78.4164000111.9L1107 N1108 Y1114 P1170L1107-L1111 HydrophobicContact CG-CD1 4.35Å; L1107-L1111 WeakPolarHBondContact O-CG 3.42Å; L1107-L1111 PolarHBondContact O-N 3.38Å; N1108-L1111 WeakPolarHBondContact O-CB 3.33Å; N1108-L1111 PolarHBondContact O-N 3.26Å; L1111-Y1114 WeakPolarHBondContact O-CB 3.34Å; L1111-Y1114 PolarHBondContact O-N 3.12Å; L1111-P1170 HydrophobicContact CD2-CG 3.51Å
1112Q70.3Confident68.8Low95 Ų9572.4 Ų72.444%0.44435%0.354SS..Hα-helixtrans-67.3-36176-73.1-178.4-21.500112.8N1108 R1109 Q1110 Y1114 L1115N1108-Q1112 WeakPolarHBondContact O-CG 3.43Å; N1108-Q1112 PolarHBondContact O-N 2.94Å; R1109-Q1112 PolarHBondContact O-N 3.04Å; Q1110-Q1112 VanDerWaalsContact C-N 3.31Å; Q1110-Q1112 PolarHBondContact O-N 2.84Å; Q1112-Y1114 PolarHBondContact O-N 3.19Å; Q1112-L1115 WeakPolarHBondContact O-CB 3.4Å; Q1112-L1115 PolarHBondContact O-N 2.92Å
1113R69.4Low67.1Low144 Ų14469.7 Ų69.754%0.54334%0.342SS..Hα-helixtrans-64.2-25.5175.7-90.6-177.2170.9171.2-4.1114.1R1109 Q1110 L1115 E1116R1109-R1113 PolarHBondContact O-N 3.23Å; Q1110-R1113 PolarHBondContact O-N 3.47Å; R1113-L1115 PolarHBondContact O-N 3.2Å; R1113-L1115 VanDerWaalsContact O-N 3.15Å; R1113-E1116 PolarHBondContact O-N 3.26Å
1114Y62.7Low65.3Low117 Ų11775.5 Ų75.546%0.45936%0.362SS..THydrogen-bonded Turntrans-60.9-20.4172.3-81.1-78.8000112.7Q1110 L1111 Q1112 E1116 H1118 G1168Q1110-Y1114 VanDerWaalsContact O-CD2 3.24Å; Q1110-Y1114 WeakPolarHBondContact O-CD2 3.14Å; Q1110-Y1114 PolarHBondContact O-N 3.27Å; L1111-Y1114 WeakPolarHBondContact O-CB 3.34Å; L1111-Y1114 PolarHBondContact O-N 3.12Å; Q1112-Y1114 PolarHBondContact O-N 3.19Å; Y1114-E1116 PolarHBondContact O-N 3.38Å; Y1114-H1118 PolarHBondContact O-CE1 3.34Å; Y1114-H1118 PolarHBondContact O-ND1 2.89Å; Y1114-G1168 WeakPolarHBondContact CD1-O 3.46Å
1115L57.6Low63.5Low51 Ų5174.5 Ų74.527%0.26736%0.356SS..THydrogen-bonded Turntrans-67.8-15.2173.2-71.1153.5000113.6Q1112 R1113 H1118 Y1167 G1178Q1112-L1115 WeakPolarHBondContact O-CB 3.4Å; Q1112-L1115 PolarHBondContact O-N 2.92Å; R1113-L1115 PolarHBondContact O-N 3.2Å; R1113-L1115 VanDerWaalsContact O-N 3.15Å; L1115-H1118 VanDerWaalsContact C-NE2 3.34Å; L1115-H1118 VanDerWaalsContact CA-NE2 3.3Å; L1115-H1118 WeakPolarHBondContact CA-NE2 3.33Å; L1115-H1118 PolarHBondContact O-CD2 3.48Å; L1115-H1118 PolarHBondContact O-NE2 3.41Å; L1115-Y1167 HydrophobicContact CD2-CE2 4.14Å; L1115-Y1167 VanDerWaalsContact CD2-OH 3.25Å; L1115-Y1167 WeakPolarHBondContact CD2-OH 3.39Å; L1115-G1178 VanDerWaalsContact CD2-C 3.48Å
1116E57.6Low61.6Low146 Ų14676 Ų7668%0.68236%0.356SS*.THydrogen-bonded Turntrans-93.2-25.9-178.6-62.5175.2172.700111.9R1113 Y1114 H1118R1113-E1116 PolarHBondContact O-N 3.26Å; Y1114-E1116 PolarHBondContact O-N 3.38Å; E1116-H1118 PolarHBondContact O-N 3.27Å
1117D52.6Low59.5Low125 Ų12580.3 Ų80.367%0.66839%0.389SS*.  trans-96.185-177.7-79.4-23.7000112
1118H57.2Low57.4Low33 Ų3382.7 Ų82.715%0.15341%0.407CS..  trans-132.9150.6-178.6-59.8-31.8000114.3Y1114 L1115 E1116 Y1167 F1182Y1114-H1118 PolarHBondContact O-CE1 3.34Å; Y1114-H1118 PolarHBondContact O-ND1 2.89Å; L1115-H1118 VanDerWaalsContact C-NE2 3.34Å; L1115-H1118 VanDerWaalsContact CA-NE2 3.3Å; L1115-H1118 WeakPolarHBondContact CA-NE2 3.33Å; L1115-H1118 PolarHBondContact O-CD2 3.48Å; L1115-H1118 PolarHBondContact O-NE2 3.41Å; E1116-H1118 PolarHBondContact O-N 3.27Å; H1118-Y1167 AromaticContact CE1-CD2 3.33Å; H1118-Y1167 WeakPolarHBondContact CE1-CD2 3.5Å; H1118-Y1167 AromaticContact CE1-CE2 3.2Å; H1118-Y1167 WeakPolarHBondContact CE1-CE2 3.3Å; H1118-Y1167 AromaticContact CE1-CZ 3.93Å; H1118-Y1167 AromaticContact ND1-CD2 3.94Å; H1118-Y1167 AromaticContact NE2-CD2 3.5Å; H1118-Y1167 AromaticContact NE2-CE2 3.16Å; H1118-Y1167 WeakPolarHBondContact NE2-CE2 3.42Å; H1118-F1182 HydrophobicContact CB-CD2 4.35Å; H1118-F1182 HydrophobicContact CB-CE1 4.08Å; H1118-F1182 HydrophobicContact CB-CE2 3.53Å; H1118-F1182 HydrophobicContact CB-CZ 3.38Å; H1118-F1182 AromaticContact CD2-CD2 3.57Å; H1118-F1182 AromaticContact CD2-CE2 3.65Å; H1118-F1182 AromaticContact CD2-CG 3.76Å; H1118-F1182 AromaticContact CD2-CZ 3.91Å; H1118-F1182 AromaticContact CG-CE2 3.92Å; H1118-F1182 AromaticContact CG-CZ 3.84Å
1119T51.7Low55.1Low44 Ų4485 Ų8527%0.2742%0.423SS..EExtended strand (participates in β ladder)trans-122122.3179.145.10000110.8Y1136 Q1166T1119-Y1136 WeakPolarHBondContact CG2-O 3.4Å; T1119-Q1166 PolarHBondContact O-N 2.99Å
1120V53.8Low52.7Low29 Ų2986.9 Ų86.918%0.17644%0.435CS..EExtended strand (participates in β ladder)trans-111.8129.9174.8-179.90000108.5I1122 Y1136 I1165 F1182 A1186V1120-I1122 HydrophobicContact CG1-CG1 4.48Å; V1120-Y1136 WeakPolarHBondContact O-CB 3.46Å; V1120-I1165 HydrophobicContact CG1-CG1 4.43Å; V1120-F1182 HydrophobicContact CG2-CE2 3.97Å; V1120-F1182 HydrophobicContact CG2-CZ 3.61Å; V1120-A1186 HydrophobicContact CG1-CB 4.34Å; V1120-A1186 HydrophobicContact CG2-CB 3.98Å
1121C55.4Low50.5Low22 Ų2286.2 Ų86.215%0.14944%0.443CS..EExtended strand (participates in β ladder)trans-125.3115.2179.7-65.70000110.3F1134 T1164C1121-F1134 WeakPolarHBondContact CA-O 3.19Å; C1121-F1134 PolarHBondContact SG-O 3.02Å; C1121-T1164 PolarHBondContact N-O 3.15Å; C1121-T1164 PolarHBondContact O-N 3.14Å; C1121-T1164 PolarHBondContact O-OG1 3.4Å
1122I52.9Low48.7Very low68 Ų6891.2 Ų91.235%0.34946%0.464SS..EExtended strand (participates in β ladder)trans-98.6128179-55174.7000109.2V1120 C1163V1120-I1122 HydrophobicContact CG1-CG1 4.48Å; I1122-C1163 HydrophobicContact CG1-CB 4.49Å
1123H51.5Low46.9Very low15 Ų1593 Ų937%0.06947%0.474CS..EExtended strand (participates in β ladder)trans-114.5128.7176.8-60.5-82.9000110.7I1162 T1164 M1289H1123-I1162 CarbonylContact C-O 3.6Å; H1123-I1162 WeakPolarHBondContact CA-O 3.33Å; H1123-I1162 HydrophobicContact CB-CB 4.21Å; H1123-I1162 PolarHBondContact N-O 2.83Å; H1123-I1162 PolarHBondContact O-N 3.4Å; H1123-I1162 VanDerWaalsContact O-N 3.1Å; H1123-T1164 PolarHBondContact CD2-OG1 3.49Å; H1123-T1164 PolarHBondContact NE2-OG1 3.21Å; H1123-M1289 VanDerWaalsContact CD2-CE 3.46Å; H1123-M1289 WeakPolarHBondContact CD2-CE 3.14Å; H1123-M1289 WeakPolarHBondContact NE2-CE 3.28Å
1124R45Very low45.3Very low139 Ų13992.7 Ų92.753%0.52548%0.477SS..EExtended strand (participates in β ladder)trans-110.5122.9169.4-173.4175.4178.7155.12.6108.3D1126R1124-D1126 IonicContact NE-OD1 3.79Å
1125L44.1Very low43.9Very low47 Ų4796.6 Ų96.625%0.24649%0.491CS..  trans-92.8100.5170.4-103.5103.9000109.1I1162 K1293L1125-I1162 HydrophobicContact CD1-CD1 3.64Å; L1125-K1293 HydrophobicContact CD1-CD 4.29Å; L1125-K1293 HydrophobicContact CD1-CG 3.71Å; L1125-K1293 HydrophobicContact CD2-CD 4.05Å; L1125-K1293 HydrophobicContact CD2-CG 3.74Å; L1125-K1293 HydrophobicContact CG-CG 4.38Å
1126D43Very low42.9Very low90 Ų90102.5 Ų102.548%0.48151%0.511SS..  trans-89.8139.2157.3-83.2-15.8000108.5R1124 T1128R1124-D1126 IonicContact NE-OD1 3.79Å; D1126-T1128 PolarHBondContact O-N 3.37Å
1127S39.7Very low41.8Very low126 Ų12698.5 Ų98.588%0.88150%0.499SS*.THydrogen-bonded Turntrans-63.611.5-167.7490000116.2
1128T34.4Very low41Very low121 Ų121101.3 Ų101.374%0.74251%0.508SS*.THydrogen-bonded Turntrans-139.6-4-173.548.10000117D1126D1126-T1128 PolarHBondContact O-N 3.37Å
1129V31.4Very low39.8Very low104 Ų104107.7 Ų107.763%0.6354%0.538SS*.SBendtrans-143.8141.9-175.9-174.20000113.9F1132V1129-F1132 HydrophobicContact CG1-CE2 4.43Å
1130K29.9Very low38.6Very low188 Ų188114.1 Ų114.182%0.81756%0.564SS**  trans-30.6131.3170.3-76.1173.8174.2174.30113F1132K1130-F1132 PolarHBondContact O-N 3.25Å
1131A28.9Very low37.2Very low68 Ų68123.7 Ų123.756%0.56260%0.597SS**  trans-49.3110.4174.600000111.2M1133A1131-M1133 PolarHBondContact O-N 3.26Å
1132F32.9Very low35.8Very low144 Ų144128 Ų12863%0.63263%0.626SS**  trans-73.7118.7167.3-89.3-91.6000108.5V1129 K1130 F1134V1129-F1132 HydrophobicContact CG1-CE2 4.43Å; K1130-F1132 PolarHBondContact O-N 3.25Å; F1132-F1134 HydrophobicContact CB-CD2 4.31Å; F1132-F1134 HydrophobicContact CB-CE2 3.95Å
1133M33.3Very low34.5Very low133 Ų133133.4 Ų133.466%0.65565%0.65SS**  trans-88.598.8173.6-175-175.2-81.900108A1131 R1135A1131-M1133 PolarHBondContact O-N 3.26Å; M1133-R1135 PolarHBondContact O-N 3.2Å
1134F35.9Very low33.2Very low136 Ų136141.8 Ų141.860%0.59669%0.689SS**  trans-83.4100169.3-77.2-82.8000109.1C1121 F1132 Y1136C1121-F1134 WeakPolarHBondContact CA-O 3.19Å; C1121-F1134 PolarHBondContact SG-O 3.02Å; F1132-F1134 HydrophobicContact CB-CD2 4.31Å; F1132-F1134 HydrophobicContact CB-CE2 3.95Å; F1134-Y1136 PolarHBondContact O-N 3.49Å
1135R32.3Very low32.2Very low199 Ų199139.6 Ų139.675%0.75170%0.695SS**  trans-79.7106.3168.2-108.6-177.1-158.2-173.86.1108.7M1133 S1137M1133-R1135 PolarHBondContact O-N 3.2Å; R1135-S1137 PolarHBondContact O-N 3.45Å
1136Y36.6Very low31.4Very low176 Ų176141 Ų14169%0.6972%0.722SS**  trans-78.299158.2-109.1-94.9000107.7T1119 V1120 F1134T1119-Y1136 WeakPolarHBondContact CG2-O 3.4Å; V1120-Y1136 WeakPolarHBondContact O-CB 3.46Å; F1134-Y1136 PolarHBondContact O-N 3.49Å
1137S35.4Very low30.5Very low62 Ų62143.5 Ų143.543%0.43473%0.734SS.*  trans-110.7122159.8172.70000106.6R1135 E1139R1135-S1137 PolarHBondContact O-N 3.45Å; S1137-E1139 PolarHBondContact O-N 2.89Å; S1137-E1139 PolarHBondContact OG-N 3.45Å
1138Q36.3Very low29.7Very low183 Ų183143.4 Ų143.486%0.85572%0.722SS**THydrogen-bonded Turntrans-64-0.4176.4-96.1-161.6-1.900113.9
1139E31.4Very low29.4Very low168 Ų168143.6 Ų143.679%0.78572%0.718SS**THydrogen-bonded Turntrans-91.63.9-173.7-86-172.9143.300116.9S1137S1137-E1139 PolarHBondContact O-N 2.89Å; S1137-E1139 PolarHBondContact OG-N 3.45Å
1140H26.7Very low29.4Very low179 Ų179144.2 Ų144.283%0.82972%0.724SS**SBendtrans-111.980.4167.7-82.6-65.2000112.4
1141R24.6Very low29.4Very low230 Ų230140.2 Ų140.287%0.86872%0.715SS**  trans3598.4138.5-156.3-170.1-76.1-175.9-4.3116.2
1142C25.4Very low29.6Very low111 Ų111140.4 Ų140.475%0.7572%0.717SS**  trans-141.168.2154.5-106.10000110.7
1143E25.3Very low29.5Very low183 Ų183144.6 Ų144.686%0.85573%0.729SS**  trans-73.4136136.7-76.8179156.600106
1144Q25Very low29.2Very low190 Ų190145.4 Ų145.489%0.88874%0.736SS**SBendtrans83.867.8-179.2-51.9-178.6-16.300116.8
1145S24.1Very low28.9Very low93 Ų93145.5 Ų145.565%0.6574%0.743SS**  -173.3102.7129.324.70000108.8I1147S1145-I1147 PolarHBondContact O-N 3.32Å; S1145-I1147 VanDerWaalsContact O-N 3.14Å
1146G25.9Very low29.1Very low78 Ų78139.6 Ų139.680%0.80473%0.728SS**  trans-70.2101.6160.400000107.4
1147I24.4Very low28.8Very low142 Ų142138.9 Ų138.973%0.72874%0.736SS**  trans-176.3118.1162.9-100.8151.7000108S1145S1145-I1147 PolarHBondContact O-N 3.32Å; S1145-I1147 VanDerWaalsContact O-N 3.14Å
1148L24.4Very low28.9Very low124 Ų124139 Ų13965%0.64975%0.747SS**  trans65.9139.7157.4-81.9125.8000117.4V1151L1148-V1151 HydrophobicContact CD2-CG2 4.32Å
1149L28.1Very low29.5Very low125 Ų125131.8 Ų131.865%0.65472%0.722SS**  -158.7117.651.4-79.8167.9000112.5V1151L1149-V1151 HydrophobicContact CB-CB 3.73Å; L1149-V1151 HydrophobicContact CB-CG2 4.29Å; L1149-V1151 HydrophobicContact CD1-CB 4.13Å; L1149-V1151 HydrophobicContact CD1-CG1 4.42Å; L1149-V1151 HydrophobicContact CD2-CB 3.29Å; L1149-V1151 HydrophobicContact CD2-CG1 3.83Å; L1149-V1151 HydrophobicContact CD2-CG2 3.38Å; L1149-V1151 HydrophobicContact CG-CB 3.85Å; L1149-V1151 HydrophobicContact CG-CG2 4.33Å; L1149-V1151 PolarHBondContact O-N 2.89Å
1150P29.6Very low30.9Very low117 Ų117124.7 Ų124.776%0.7669%0.689SS**  trans-68.158.2137.531.7-32000109.6
1151V30.1Very low32.7Very low103 Ų103121.8 Ų121.862%0.62467%0.671SS**  trans-79.24.7-173.2-176.20000119.9L1148 L1149L1148-V1151 HydrophobicContact CD2-CG2 4.32Å; L1149-V1151 HydrophobicContact CB-CB 3.73Å; L1149-V1151 HydrophobicContact CB-CG2 4.29Å; L1149-V1151 HydrophobicContact CD1-CB 4.13Å; L1149-V1151 HydrophobicContact CD1-CG1 4.42Å; L1149-V1151 HydrophobicContact CD2-CB 3.29Å; L1149-V1151 HydrophobicContact CD2-CG1 3.83Å; L1149-V1151 HydrophobicContact CD2-CG2 3.38Å; L1149-V1151 HydrophobicContact CG-CB 3.85Å; L1149-V1151 HydrophobicContact CG-CG2 4.33Å; L1149-V1151 PolarHBondContact O-N 2.89Å
1152A33.6Very low34.8Very low73 Ų73111 Ų11160%0.60363%0.63SS**SBendtrans-1367.4-16800000114.3
1153R31.2Very low37Very low231 Ų231106 Ų10687%0.87260%0.596SS**SBendtrans-91.2-20.7179.3-105.7-177.5-176.5177.51.1115.3
1154N27.5Very low39.3Very low150 Ų15097.6 Ų97.680%0.80256%0.557SS**SBendtrans-126.419.2-161.8-75.65.5000117.5
1155N29.6Very low41.8Very low139 Ų13988.7 Ų88.774%0.74352%0.516SS*.  trans-152.252.5175.4-98.6-16.9000113.2
1156V35.4Very low44.5Very low74 Ų7486.3 Ų86.345%0.44849%0.494SS..  trans-115.674178.6-151.50000110.6H1220V1156-H1220 WeakPolarHBondContact CG1-CE1 3.5Å; V1156-H1220 WeakPolarHBondContact CG1-NE2 3.31Å
1157L31.3Very low46.9Very low162 Ų16282.6 Ų82.685%0.84846%0.456SS*.  trans-85.8110.4158.7-89.5130.9000108
1158G37.1Very low49.2Very low65 Ų6576.8 Ų76.867%0.6743%0.431SS*.SBendtrans58.1102.6158.700000118.9
1159G49.2Very low51.6Low31 Ų3171 Ų7132%0.3240%0.401SS..  trans170.9151.7166.500000114.5H1220G1159-H1220 PolarHBondContact O-ND1 3.03Å
1160L60.3Low54.3Low18 Ų1866.4 Ų66.49%0.09438%0.379CS..  trans-73.5128.3176.3-16793.7000110.2I1162 K1221 V1223 Q1296L1160-I1162 HydrophobicContact CD2-CD1 4.26Å; L1160-I1162 HydrophobicContact CD2-CG1 3.96Å; L1160-K1221 HydrophobicContact CD1-CB 3.58Å; L1160-K1221 WeakPolarHBondContact CD1-O 3.48Å; L1160-V1223 HydrophobicContact CD1-CG2 4.17Å; L1160-V1223 HydrophobicContact CD2-CG2 3.82Å; L1160-V1223 HydrophobicContact CG-CG2 4.22Å; L1160-Q1296 HydrophobicContact CB-CB 4.24Å; L1160-Q1296 HydrophobicContact CB-CG 3.71Å; L1160-Q1296 HydrophobicContact CD2-CB 3.84Å; L1160-Q1296 HydrophobicContact CD2-CG 4.27Å; L1160-Q1296 HydrophobicContact CG-CB 4.48Å; L1160-Q1296 HydrophobicContact CG-CG 4.46Å
1161R63.7Low57Low119 Ų11960.8 Ų60.845%0.44934%0.343SS..EExtended strand (participates in β ladder)trans-98.1118.9178.3-170.7178-177-170.4-1.9109.6K1221 T1222 V1223R1161-K1221 PolarHBondContact N-O 3.12Å; R1161-T1222 HydrophobicContact CB-CG2 4.29Å; R1161-T1222 CarbonylContact O-C 3.5Å; R1161-T1222 WeakPolarHBondContact O-CA 3.37Å; R1161-V1223 PolarHBondContact O-N 2.68Å
1162I69.6Low59.6Low4 Ų456.5 Ų56.52%0.02132%0.317CS..EExtended strand (participates in β ladder)trans-106.1125.9177.4-57.1174.7000108.7H1123 L1125 L1160 V1223 I1225 A1292H1123-I1162 CarbonylContact C-O 3.6Å; H1123-I1162 WeakPolarHBondContact CA-O 3.33Å; H1123-I1162 HydrophobicContact CB-CB 4.21Å; H1123-I1162 PolarHBondContact N-O 2.83Å; H1123-I1162 PolarHBondContact O-N 3.4Å; H1123-I1162 VanDerWaalsContact O-N 3.1Å; L1125-I1162 HydrophobicContact CD1-CD1 3.64Å; L1160-I1162 HydrophobicContact CD2-CD1 4.26Å; L1160-I1162 HydrophobicContact CD2-CG1 3.96Å; I1162-V1223 WeakPolarHBondContact CA-O 3.44Å; I1162-V1223 HydrophobicContact CG1-CB 4.43Å; I1162-I1225 HydrophobicContact CG2-CD1 3.79Å; I1162-I1225 HydrophobicContact CG2-CG1 4.3Å; I1162-A1292 HydrophobicContact CD1-CB 3.83Å; I1162-A1292 HydrophobicContact CG1-CB 4.36Å
1163C71.9Confident62.1Low4 Ų459.8 Ų59.83%0.02732%0.318CS..EExtended strand (participates in β ladder)trans-130.3122.4177171.20000111.3I1122 Y1187 V1223 A1224 I1225I1122-C1163 HydrophobicContact CG1-CB 4.49Å; C1163-Y1187 HydrophobicContact CB-CD1 4.03Å; C1163-Y1187 HydrophobicContact CB-CE1 3.5Å; C1163-Y1187 VanDerWaalsContact CB-CE1 3.5Å; C1163-Y1187 PolarHBondContact O-OH 3.45Å; C1163-Y1187 WeakPolarHBondContact SG-CE1 3.2Å; C1163-V1223 PolarHBondContact N-O 2.79Å; C1163-A1224 WeakPolarHBondContact O-CA 3.48Å; C1163-I1225 PolarHBondContact O-N 3.23Å
1164T74.1Confident64.5Low8 Ų852.1 Ų52.15%0.04929%0.294CS..EExtended strand (participates in β ladder)trans-103.6128-175.5-40000109.7C1121 H1123 I1225 I1285 M1289C1121-T1164 PolarHBondContact N-O 3.15Å; C1121-T1164 PolarHBondContact O-N 3.14Å; C1121-T1164 PolarHBondContact O-OG1 3.4Å; H1123-T1164 PolarHBondContact CD2-OG1 3.49Å; H1123-T1164 PolarHBondContact NE2-OG1 3.21Å; T1164-I1225 CarbonylContact C-O 3.48Å; T1164-I1225 VanDerWaalsContact CA-O 3.25Å; T1164-I1225 WeakPolarHBondContact CA-O 2.96Å; T1164-I1225 HydrophobicContact CG2-CB 3.59Å; T1164-I1225 HydrophobicContact CG2-CD1 4.37Å; T1164-I1225 HydrophobicContact CG2-CG2 3.62Å; T1164-I1285 HydrophobicContact CG2-CD1 3.71Å; T1164-I1285 HydrophobicContact CG2-CG1 4.07Å; T1164-M1289 HydrophobicContact CG2-CE 4.21Å
1165I77.3Confident67.1Low2 Ų245 Ų451%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-121.2128.4178.5-61.8-174.5000109.6V1120 F1182 A1186 Y1187 I1225 D1227V1120-I1165 HydrophobicContact CG1-CG1 4.43Å; I1165-F1182 HydrophobicContact CG2-CD1 4.26Å; I1165-F1182 HydrophobicContact CG2-CE1 3.37Å; I1165-F1182 HydrophobicContact CG2-CZ 4Å; I1165-A1186 HydrophobicContact CD1-CB 3.49Å; I1165-A1186 VanDerWaalsContact CD1-CB 3.49Å; I1165-A1186 HydrophobicContact CG1-CB 4.37Å; I1165-Y1187 HydrophobicContact CD1-CD2 3.7Å; I1165-Y1187 HydrophobicContact CD1-CE1 4.39Å; I1165-Y1187 HydrophobicContact CD1-CE2 3.11Å; I1165-Y1187 VanDerWaalsContact CD1-CZ 3.47Å; I1165-Y1187 HydrophobicContact CG1-CE2 4.01Å; I1165-I1225 PolarHBondContact N-O 3.02Å; I1165-D1227 PolarHBondContact O-N 2.99Å
1166Q79.9Confident69.7Low43 Ų4338.5 Ų38.520%0.20122%0.221CC..EExtended strand (participates in β ladder)trans-113.3116.3170.3-176.4-17874.300109.6T1119 D1227 S1229 K1230T1119-Q1166 PolarHBondContact O-N 2.99Å; Q1166-D1227 HydrophobicContact CB-CB 4.14Å; Q1166-D1227 HydrophobicContact CG-CB 4.36Å; Q1166-D1227 PolarHBondContact NE2-OD2 3.47Å; Q1166-S1229 PolarHBondContact NE2-OG 3.09Å; Q1166-S1229 VanDerWaalsContact NE2-OG 3.1Å; Q1166-K1230 HydrophobicContact CG-CD 4.35Å; Q1166-K1230 HydrophobicContact CG-CG 4.45Å
1167Y77.7Confident72Confident1 Ų142 Ų420%0.00423%0.233CC..  trans-92.7127.7177-175.2-102.4000111.1L1115 H1118 G1169 V1171 F1179 F1182 K1230 I1231L1115-Y1167 HydrophobicContact CD2-CE2 4.14Å; L1115-Y1167 VanDerWaalsContact CD2-OH 3.25Å; L1115-Y1167 WeakPolarHBondContact CD2-OH 3.39Å; H1118-Y1167 AromaticContact CE1-CD2 3.33Å; H1118-Y1167 WeakPolarHBondContact CE1-CD2 3.5Å; H1118-Y1167 AromaticContact CE1-CE2 3.2Å; H1118-Y1167 WeakPolarHBondContact CE1-CE2 3.3Å; H1118-Y1167 AromaticContact CE1-CZ 3.93Å; H1118-Y1167 AromaticContact ND1-CD2 3.94Å; H1118-Y1167 AromaticContact NE2-CD2 3.5Å; H1118-Y1167 AromaticContact NE2-CE2 3.16Å; H1118-Y1167 WeakPolarHBondContact NE2-CE2 3.42Å; Y1167-G1169 WeakPolarHBondContact CD1-O 3.29Å; Y1167-G1169 VanDerWaalsContact CE1-O 3.27Å; Y1167-G1169 WeakPolarHBondContact CE1-O 3.35Å; Y1167-G1169 PolarHBondContact O-N 3.4Å; Y1167-V1171 HydrophobicContact CD1-CG2 3.97Å; Y1167-V1171 HydrophobicContact CE1-CG2 3.89Å; Y1167-F1179 AromaticContact CD1-CD2 3.97Å; Y1167-F1179 HydrophobicContact CD1-CD2 3.97Å; Y1167-F1179 AromaticContact CD2-CD2 3.64Å; Y1167-F1179 HydrophobicContact CD2-CD2 3.64Å; Y1167-F1179 HydrophobicContact CD2-CE2 4.37Å; Y1167-F1179 HydrophobicContact CE1-CD2 4.29Å; Y1167-F1179 HydrophobicContact CE2-CB 4.09Å; Y1167-F1179 AromaticContact CE2-CD2 3.97Å; Y1167-F1179 HydrophobicContact CE2-CD2 3.97Å; Y1167-F1179 AromaticContact CG-CD2 3.63Å; Y1167-F1179 HydrophobicContact CG-CD2 3.63Å; Y1167-F1179 HydrophobicContact CG-CE2 4.1Å; Y1167-F1182 AromaticContact CD2-CD1 3.98Å; Y1167-F1182 HydrophobicContact CD2-CD1 3.98Å; Y1167-F1182 HydrophobicContact CD2-CE1 4.32Å; Y1167-K1230 VanDerWaalsContact O-CB 3.31Å; Y1167-K1230 WeakPolarHBondContact O-CB 3.24Å; Y1167-I1231 HydrophobicContact CD1-CG1 4.34Å
1168G70.9Confident74.3Confident19 Ų1935.4 Ų35.420%0.19620%0.204CC..  trans-85.34.5-16800000117Y1114Y1114-G1168 WeakPolarHBondContact CD1-O 3.46Å
1169G76.7Confident76.5Confident3 Ų332.4 Ų32.43%0.03117%0.172CC..SBendtrans-139.7174.5-171.500000115.3Y1167Y1167-G1169 WeakPolarHBondContact CD1-O 3.29Å; Y1167-G1169 VanDerWaalsContact CE1-O 3.27Å; Y1167-G1169 WeakPolarHBondContact CE1-O 3.35Å; Y1167-G1169 PolarHBondContact O-N 3.4Å
1170P83.9Confident78.2Confident28 Ų2833.5 Ų33.518%0.18217%0.167CC..  trans-70.3148.317030.8-33.3000110.8L1111 T1175 F1233L1111-P1170 HydrophobicContact CD2-CG 3.51Å; P1170-T1175 PolarHBondContact O-OG1 3.23Å; P1170-F1233 WeakPolarHBondContact CA-O 3.45Å; P1170-F1233 HydrophobicContact CB-CB 4.37Å
1171V85.6Confident79Confident0 Ų036.6 Ų36.60%018%0.183CC..BIsolated β-bridgetrans-106.892.9178.6-176.90000108.4Y1167 F1179 I1231 F1233 M1234 D1235Y1167-V1171 HydrophobicContact CD1-CG2 3.97Å; Y1167-V1171 HydrophobicContact CE1-CG2 3.89Å; V1171-F1179 HydrophobicContact CG1-CB 4.46Å; V1171-F1179 HydrophobicContact CG1-CD1 4.46Å; V1171-F1179 HydrophobicContact CG1-CG 4.39Å; V1171-F1179 HydrophobicContact CG2-CD2 4.12Å; V1171-F1179 HydrophobicContact CG2-CG 4.25Å; V1171-I1231 HydrophobicContact CG2-CD1 4.19Å; V1171-I1231 HydrophobicContact CG2-CG2 4.11Å; V1171-F1233 PolarHBondContact N-O 3.08Å; V1171-M1234 HydrophobicContact CB-CE 4.09Å; V1171-M1234 HydrophobicContact CB-CG 4.09Å; V1171-M1234 HydrophobicContact CG1-CE 4.5Å; V1171-M1234 HydrophobicContact CG1-CG 4.4Å; V1171-M1234 HydrophobicContact CG2-CE 4.31Å; V1171-M1234 VanDerWaalsContact O-CA 3.25Å; V1171-M1234 WeakPolarHBondContact O-CA 3.42Å; V1171-M1234 WeakPolarHBondContact O-CG 3.21Å; V1171-D1235 PolarHBondContact O-N 3.41Å
1172C85.8Confident79.6Confident13 Ų1332.9 Ų32.99%0.08817%0.17CC..SBendtrans-125177.3-17965.10000111.2L1174 T1175 A1176 D1235C1172-L1174 PolarHBondContact O-N 3.39Å; C1172-T1175 PolarHBondContact N-OG1 2.72Å; C1172-T1175 PolarHBondContact O-N 3.5Å; C1172-T1175 PolarHBondContact O-OG1 3.1Å; C1172-A1176 VanDerWaalsContact O-CB 3.22Å; C1172-A1176 WeakPolarHBondContact O-CB 3.45Å; C1172-A1176 PolarHBondContact O-N 3.42Å; C1172-D1235 WeakPolarHBondContact CA-OD1 3.17Å; C1172-D1235 WeakPolarHBondContact CA-OD2 3.42Å; C1172-D1235 WeakPolarHBondContact CB-OD2 3.4Å
1173F85.9Confident79.9Confident142 Ų14232.7 Ų32.762%0.62317%0.169SC*.THydrogen-bonded Turntrans-51.4-23.9179.982-85.9000114.7D1235F1173-D1235 PolarHBondContact N-OD1 3.33Å; F1173-D1235 PolarHBondContact N-OD2 3.49Å
1174L80.5Confident80.1Confident69 Ų6933.5 Ų33.536%0.36118%0.175SC..THydrogen-bonded Turntrans-84.3-28.5177.8-68.6162.3000113.9N1108 C1172N1108-L1174 WeakPolarHBondContact OD1-CD1 3.24Å; C1172-L1174 PolarHBondContact O-N 3.39Å
1175T83.3Confident79.9Confident1 Ų138.7 Ų38.71%0.00620%0.202CC..THydrogen-bonded Turntrans-114.3-9.2-172.9550000113.1P1170 C1172 E1177 G1178 F1179P1170-T1175 PolarHBondContact O-OG1 3.23Å; C1172-T1175 PolarHBondContact N-OG1 2.72Å; C1172-T1175 PolarHBondContact O-N 3.5Å; C1172-T1175 PolarHBondContact O-OG1 3.1Å; T1175-E1177 PolarHBondContact O-N 3.47Å; T1175-G1178 PolarHBondContact O-N 3.39Å; T1175-F1179 PolarHBondContact O-N 2.9Å
1176A84.6Confident79.4Confident2 Ų240 Ų402%0.01721%0.213CC..Hα-helixtrans-59.9-45.7-172.500000113.4C1172 F1179 R1180 V1241C1172-A1176 VanDerWaalsContact O-CB 3.22Å; C1172-A1176 WeakPolarHBondContact O-CB 3.45Å; C1172-A1176 PolarHBondContact O-N 3.42Å; A1176-F1179 WeakPolarHBondContact O-CB 3.3Å; A1176-F1179 PolarHBondContact O-N 3.12Å; A1176-R1180 PolarHBondContact O-N 3.1Å; A1176-R1180 VanDerWaalsContact O-N 3.07Å; A1176-V1241 HydrophobicContact CB-CB 4.01Å; A1176-V1241 HydrophobicContact CB-CG1 4.23Å; A1176-V1241 HydrophobicContact CB-CG2 4.01Å; A1176-V1241 WeakPolarHBondContact O-CG1 3.38Å
1177E83.6Confident78.8Confident148 Ų14839.2 Ų39.269%0.69221%0.208SC*.Hα-helixtrans-66.7-42.3177-70.2-154.7164.600111.8T1175 F1179 R1180 D1181T1175-E1177 PolarHBondContact O-N 3.47Å; E1177-F1179 VanDerWaalsContact C-N 3.26Å; E1177-F1179 PolarHBondContact O-N 3.01Å; E1177-R1180 WeakPolarHBondContact O-CB 3.32Å; E1177-R1180 PolarHBondContact O-N 2.9Å; E1177-D1181 PolarHBondContact O-N 2.79Å
1178G79.4Confident77.7Confident23 Ų2342 Ų4224%0.23724%0.238CC..Hα-helixtrans-61.7-34.1175.600000112.9L1115 T1175 F1182L1115-G1178 VanDerWaalsContact CD2-C 3.48Å; T1175-G1178 PolarHBondContact O-N 3.39Å; G1178-F1182 VanDerWaalsContact O-CB 3.23Å; G1178-F1182 WeakPolarHBondContact O-CB 3.48Å; G1178-F1182 PolarHBondContact O-N 3.49Å
1179F82.4Confident76.8Confident2 Ų243.1 Ų43.11%0.00924%0.239CC..Hα-helixtrans-63.3-46.9170.5168.2-93.5000111.8Y1167 V1171 T1175 A1176 E1177 F1182 V1183 F1242Y1167-F1179 AromaticContact CD1-CD2 3.97Å; Y1167-F1179 HydrophobicContact CD1-CD2 3.97Å; Y1167-F1179 AromaticContact CD2-CD2 3.64Å; Y1167-F1179 HydrophobicContact CD2-CD2 3.64Å; Y1167-F1179 HydrophobicContact CD2-CE2 4.37Å; Y1167-F1179 HydrophobicContact CE1-CD2 4.29Å; Y1167-F1179 HydrophobicContact CE2-CB 4.09Å; Y1167-F1179 AromaticContact CE2-CD2 3.97Å; Y1167-F1179 HydrophobicContact CE2-CD2 3.97Å; Y1167-F1179 AromaticContact CG-CD2 3.63Å; Y1167-F1179 HydrophobicContact CG-CD2 3.63Å; Y1167-F1179 HydrophobicContact CG-CE2 4.1Å; V1171-F1179 HydrophobicContact CG1-CB 4.46Å; V1171-F1179 HydrophobicContact CG1-CD1 4.46Å; V1171-F1179 HydrophobicContact CG1-CG 4.39Å; V1171-F1179 HydrophobicContact CG2-CD2 4.12Å; V1171-F1179 HydrophobicContact CG2-CG 4.25Å; T1175-F1179 PolarHBondContact O-N 2.9Å; A1176-F1179 WeakPolarHBondContact O-CB 3.3Å; A1176-F1179 PolarHBondContact O-N 3.12Å; E1177-F1179 VanDerWaalsContact C-N 3.26Å; E1177-F1179 PolarHBondContact O-N 3.01Å; F1179-F1182 PolarHBondContact O-N 3.32Å; F1179-V1183 HydrophobicContact CD1-CG2 4.42Å; F1179-V1183 HydrophobicContact CD2-CG2 4.19Å; F1179-V1183 HydrophobicContact CE1-CG2 3.91Å; F1179-V1183 HydrophobicContact CE2-CG2 3.66Å; F1179-V1183 HydrophobicContact CZ-CG2 3.5Å; F1179-V1183 WeakPolarHBondContact O-CG2 3.39Å; F1179-V1183 PolarHBondContact O-N 2.86Å; F1179-F1242 HydrophobicContact CD1-CD2 4.25Å; F1179-F1242 AromaticContact CE1-CD2 3.35Å; F1179-F1242 HydrophobicContact CE1-CD2 3.35Å; F1179-F1242 AromaticContact CE1-CE2 3.8Å; F1179-F1242 HydrophobicContact CE1-CE2 3.8Å; F1179-F1242 HydrophobicContact CE1-CG 4.28Å; F1179-F1242 HydrophobicContact CE2-CD2 4.41Å; F1179-F1242 HydrophobicContact CE2-CE2 4.24Å; F1179-F1242 AromaticContact CZ-CD2 3.45Å; F1179-F1242 HydrophobicContact CZ-CD2 3.45Å; F1179-F1242 VanDerWaalsContact CZ-CD2 3.45Å; F1179-F1242 AromaticContact CZ-CE2 3.37Å; F1179-F1242 HydrophobicContact CZ-CE2 3.37Å
1180R84.2Confident75.1Confident55 Ų5548.7 Ų48.721%0.20828%0.275CS..Hα-helixtrans-60.3-50.8178.3176.9170.5-174.9-104.24.7111A1176 E1177 F1182 V1183 V1184 V1241 T1245 D1248A1176-R1180 PolarHBondContact O-N 3.1Å; A1176-R1180 VanDerWaalsContact O-N 3.07Å; E1177-R1180 WeakPolarHBondContact O-CB 3.32Å; E1177-R1180 PolarHBondContact O-N 2.9Å; R1180-F1182 VanDerWaalsContact C-N 3.26Å; R1180-F1182 PolarHBondContact O-N 3.01Å; R1180-V1183 PolarHBondContact O-N 3.23Å; R1180-V1184 HydrophobicContact CG-CG2 4.18Å; R1180-V1184 WeakPolarHBondContact O-CB 3.39Å; R1180-V1184 VanDerWaalsContact O-CG2 3.25Å; R1180-V1184 WeakPolarHBondContact O-CG2 3.46Å; R1180-V1184 PolarHBondContact O-N 3.34Å; R1180-V1241 HydrophobicContact CB-CG1 3.91Å; R1180-T1245 HydrophobicContact CG-CG2 4.27Å; R1180-T1245 WeakPolarHBondContact CG-OG1 3.32Å; R1180-D1248 IonicContact CZ-OD2 3.97Å; R1180-D1248 IonicContact NE-OD2 3Å; R1180-D1248 IonicContact NH2-OD2 2.97Å; R1180-D1248 PolarHBondContact NH2-OD2 3.43Å
1181D78Confident72.9Confident83 Ų8350.3 Ų50.344%0.44430%0.296SS..Hα-helixtrans-58.9-41.1179.3-69.6-15.8000111.2E1177 N1185E1177-D1181 PolarHBondContact O-N 2.79Å; D1181-N1185 WeakPolarHBondContact O-CB 3.45Å; D1181-N1185 PolarHBondContact O-N 3.27Å; D1181-N1185 PolarHBondContact O-ND2 2.98Å
1182F75.8Confident70.5Confident40 Ų4055.6 Ų55.618%0.17532%0.321CS..Hα-helixtrans-62.1-48.5175.5171.8-108.8000112.4H1118 V1120 I1165 Y1167 G1178 F1179 R1180 N1185 A1186H1118-F1182 HydrophobicContact CB-CD2 4.35Å; H1118-F1182 HydrophobicContact CB-CE1 4.08Å; H1118-F1182 HydrophobicContact CB-CE2 3.53Å; H1118-F1182 HydrophobicContact CB-CZ 3.38Å; H1118-F1182 AromaticContact CD2-CD2 3.57Å; H1118-F1182 AromaticContact CD2-CE2 3.65Å; H1118-F1182 AromaticContact CD2-CG 3.76Å; H1118-F1182 AromaticContact CD2-CZ 3.91Å; H1118-F1182 AromaticContact CG-CE2 3.92Å; H1118-F1182 AromaticContact CG-CZ 3.84Å; V1120-F1182 HydrophobicContact CG2-CE2 3.97Å; V1120-F1182 HydrophobicContact CG2-CZ 3.61Å; I1165-F1182 HydrophobicContact CG2-CD1 4.26Å; I1165-F1182 HydrophobicContact CG2-CE1 3.37Å; I1165-F1182 HydrophobicContact CG2-CZ 4Å; Y1167-F1182 AromaticContact CD2-CD1 3.98Å; Y1167-F1182 HydrophobicContact CD2-CD1 3.98Å; Y1167-F1182 HydrophobicContact CD2-CE1 4.32Å; G1178-F1182 VanDerWaalsContact O-CB 3.23Å; G1178-F1182 WeakPolarHBondContact O-CB 3.48Å; G1178-F1182 PolarHBondContact O-N 3.49Å; F1179-F1182 PolarHBondContact O-N 3.32Å; R1180-F1182 VanDerWaalsContact C-N 3.26Å; R1180-F1182 PolarHBondContact O-N 3.01Å; F1182-N1185 PolarHBondContact O-N 3.27Å; F1182-A1186 VanDerWaalsContact O-CB 3.24Å; F1182-A1186 WeakPolarHBondContact O-CB 3.36Å; F1182-A1186 PolarHBondContact O-N 3.08Å
1183V76.7Confident68Low0 Ų064.1 Ų64.10%036%0.359CS..Hα-helixtrans-62.7-46.8179.2170.40000110.9F1179 R1180 A1186 Y1187 T1245 L1249F1179-V1183 HydrophobicContact CD1-CG2 4.42Å; F1179-V1183 HydrophobicContact CD2-CG2 4.19Å; F1179-V1183 HydrophobicContact CE1-CG2 3.91Å; F1179-V1183 HydrophobicContact CE2-CG2 3.66Å; F1179-V1183 HydrophobicContact CZ-CG2 3.5Å; F1179-V1183 WeakPolarHBondContact O-CG2 3.39Å; F1179-V1183 PolarHBondContact O-N 2.86Å; R1180-V1183 PolarHBondContact O-N 3.23Å; V1183-A1186 PolarHBondContact O-N 3.41Å; V1183-Y1187 HydrophobicContact CG1-CD2 3.92Å; V1183-Y1187 HydrophobicContact CG1-CE2 3.91Å; V1183-Y1187 WeakPolarHBondContact O-CD2 3.17Å; V1183-Y1187 PolarHBondContact O-N 2.75Å; V1183-T1245 HydrophobicContact CB-CG2 4.13Å; V1183-T1245 HydrophobicContact CG1-CG2 3.79Å; V1183-L1249 HydrophobicContact CG1-CD1 3.95Å
1184V75.2Confident65.6Low22 Ų2262.4 Ų62.413%0.13336%0.355CS..Hα-helixtrans-61.3-46.7179.4172.20000111R1180 A1186 Y1187 G1188 L1189R1180-V1184 HydrophobicContact CG-CG2 4.18Å; R1180-V1184 WeakPolarHBondContact O-CB 3.39Å; R1180-V1184 VanDerWaalsContact O-CG2 3.25Å; R1180-V1184 WeakPolarHBondContact O-CG2 3.46Å; R1180-V1184 PolarHBondContact O-N 3.34Å; V1184-A1186 PolarHBondContact O-N 2.92Å; V1184-Y1187 PolarHBondContact O-N 3.37Å; V1184-G1188 PolarHBondContact O-N 2.86Å; V1184-L1189 HydrophobicContact CG1-CB 4.02Å; V1184-L1189 PolarHBondContact O-N 3.04Å
1185N70.1Confident63.3Low117 Ų11762.1 Ų62.163%0.62636%0.359SS*.Hα-helixtrans-65-38.2178.2-74.3-29.6000112.5D1181 F1182 Y1187 G1188D1181-N1185 WeakPolarHBondContact O-CB 3.45Å; D1181-N1185 PolarHBondContact O-N 3.27Å; D1181-N1185 PolarHBondContact O-ND2 2.98Å; F1182-N1185 PolarHBondContact O-N 3.27Å; N1185-Y1187 VanDerWaalsContact C-N 3.34Å; N1185-Y1187 PolarHBondContact O-N 3.24Å; N1185-G1188 PolarHBondContact O-N 3.29Å
1186A67.3Low60.9Low28 Ų2867.9 Ų67.923%0.23139%0.394CS..Hα-helixtrans-67-32.1-179.800000113.2V1120 I1165 F1182 V1183 V1184V1120-A1186 HydrophobicContact CG1-CB 4.34Å; V1120-A1186 HydrophobicContact CG2-CB 3.98Å; I1165-A1186 HydrophobicContact CD1-CB 3.49Å; I1165-A1186 VanDerWaalsContact CD1-CB 3.49Å; I1165-A1186 HydrophobicContact CG1-CB 4.37Å; F1182-A1186 VanDerWaalsContact O-CB 3.24Å; F1182-A1186 WeakPolarHBondContact O-CB 3.36Å; F1182-A1186 PolarHBondContact O-N 3.08Å; V1183-A1186 PolarHBondContact O-N 3.41Å; V1184-A1186 PolarHBondContact O-N 2.92Å
1187Y66.1Low58.4Low27 Ų2772.7 Ų72.711%0.10642%0.423CS..Hα-helixtrans-87.2-8.4176.4-72.2-71.4000113.8C1163 I1165 V1183 V1184 N1185 A1224 L1249C1163-Y1187 HydrophobicContact CB-CD1 4.03Å; C1163-Y1187 HydrophobicContact CB-CE1 3.5Å; C1163-Y1187 VanDerWaalsContact CB-CE1 3.5Å; C1163-Y1187 PolarHBondContact O-OH 3.45Å; C1163-Y1187 WeakPolarHBondContact SG-CE1 3.2Å; I1165-Y1187 HydrophobicContact CD1-CD2 3.7Å; I1165-Y1187 HydrophobicContact CD1-CE1 4.39Å; I1165-Y1187 HydrophobicContact CD1-CE2 3.11Å; I1165-Y1187 VanDerWaalsContact CD1-CZ 3.47Å; I1165-Y1187 HydrophobicContact CG1-CE2 4.01Å; V1183-Y1187 HydrophobicContact CG1-CD2 3.92Å; V1183-Y1187 HydrophobicContact CG1-CE2 3.91Å; V1183-Y1187 WeakPolarHBondContact O-CD2 3.17Å; V1183-Y1187 PolarHBondContact O-N 2.75Å; V1184-Y1187 PolarHBondContact O-N 3.37Å; N1185-Y1187 VanDerWaalsContact C-N 3.34Å; N1185-Y1187 PolarHBondContact O-N 3.24Å; Y1187-A1224 HydrophobicContact CD1-CB 4.48Å; Y1187-A1224 HydrophobicContact CE1-CB 3.56Å; Y1187-A1224 HydrophobicContact CE2-CB 4.02Å; Y1187-A1224 WeakPolarHBondContact OH-CA 3.12Å; Y1187-A1224 VanDerWaalsContact OH-CB 3.24Å; Y1187-A1224 WeakPolarHBondContact OH-CB 3.46Å; Y1187-L1249 HydrophobicContact CD2-CD2 3.98Å; Y1187-L1249 HydrophobicContact CE2-CD1 4.49Å; Y1187-L1249 HydrophobicContact CG-CD2 4.37Å
1188G55.9Low56Low61 Ų6169.5 Ų69.563%0.62942%0.418SS*.THydrogen-bonded Turntrans77.726.3174.700000114.4V1184 N1185V1184-G1188 PolarHBondContact O-N 2.86Å; N1185-G1188 PolarHBondContact O-N 3.29Å
1189L52.5Low53.9Low41 Ų4174.6 Ų74.622%0.21544%0.439CS..PPolyproline II helixtrans-75.2130172.5-70.5168.9000109.3V1184 G1191 L1249 V1252V1184-L1189 HydrophobicContact CG1-CB 4.02Å; V1184-L1189 PolarHBondContact O-N 3.04Å; L1189-G1191 PolarHBondContact O-N 3.4Å; L1189-L1249 HydrophobicContact CD1-CD2 3.8Å; L1189-V1252 HydrophobicContact CD2-CB 4.12Å; L1189-V1252 HydrophobicContact CD2-CG1 3.53Å; L1189-V1252 HydrophobicContact CD2-CG2 4.08Å
1190P40Very low51.7Low121 Ų12183.9 Ų83.979%0.78648%0.479SS*.PPolyproline II helixtrans-61.9133.6177.224.4-30.3000109.9H1192P1190-H1192 PolarHBondContact O-N 3.17Å
1191G38.6Very low49.2Very low61 Ų6192.4 Ų92.463%0.62951%0.512SS*.PPolyproline II helixtrans-48134.9-171.700000113.8L1189 E1193L1189-G1191 PolarHBondContact O-N 3.4Å; G1191-E1193 PolarHBondContact O-N 3.43Å
1192H35.4Very low47Very low112 Ų11292.6 Ų92.652%0.51952%0.524SS..  trans-71.673.8179.7-141.7-74.8000110.6P1190 I1194P1190-H1192 PolarHBondContact O-N 3.17Å; H1192-I1194 PolarHBondContact O-N 3.41Å
1193E32.7Very low44.9Very low191 Ų19194 Ų9489%0.89355%0.55SS*.  trans-81.221.1159.4-92.7-165.1169.900112.1G1191 S1195G1191-E1193 PolarHBondContact O-N 3.43Å; E1193-S1195 PolarHBondContact O-N 2.79Å
1194I34.4Very low42.7Very low107 Ų107101.3 Ų101.355%0.54959%0.589SS.*  trans-83.280.3166.7-54.2175.9000107.8H1192 T1196H1192-I1194 PolarHBondContact O-N 3.41Å; I1194-T1196 PolarHBondContact O-N 2.89Å
1195S32.9Very low40.8Very low63 Ų63104 Ų10444%0.44161%0.609SS.*  trans-51.1131.6165.6176.10000109.7E1193 T1197 S1198E1193-S1195 PolarHBondContact O-N 2.79Å; S1195-T1197 PolarHBondContact O-N 3.19Å; S1195-T1197 PolarHBondContact OG-OG1 3.31Å; S1195-S1198 PolarHBondContact O-N 2.99Å; S1195-S1198 VanDerWaalsContact O-N 3.14Å
1196T33.8Very low39.2Very low121 Ų121104.7 Ų104.774%0.74261%0.612SS**THydrogen-bonded Turntrans-53.11.2173.241.40000115.1I1194I1194-T1196 PolarHBondContact O-N 2.89Å
1197T31.7Very low38Very low103 Ų103111.1 Ų111.163%0.63264%0.637SS**THydrogen-bonded Turntrans-85.8-23.2176.8-27.30000113.2S1195S1195-T1197 PolarHBondContact O-N 3.19Å; S1195-T1197 PolarHBondContact OG-OG1 3.31Å
1198S32.1Very low36.7Very low82 Ų82112.2 Ų112.257%0.57365%0.652SS**SBendtrans-86.4-26-178.2-52.20000113.4S1195 K1200 R1201S1195-S1198 PolarHBondContact O-N 2.99Å; S1195-S1198 VanDerWaalsContact O-N 3.14Å; S1198-K1200 PolarHBondContact O-N 2.67Å; S1198-R1201 PolarHBondContact O-N 3.41Å
1199L36.4Very low35.9Very low130 Ų130115.5 Ų115.568%0.68165%0.654SS**THydrogen-bonded Turntrans-72.2-9.6-179.7-92.2153.8000114.7
1200K36.4Very low35.3Very low197 Ų197119.1 Ų119.186%0.85767%0.673SS**THydrogen-bonded Turntrans-97-4.6175.5-82.7-176.4176.21770114.5S1198S1198-K1200 PolarHBondContact O-N 2.67Å
1201R31.7Very low35.2Very low234 Ų234120.4 Ų120.488%0.88367%0.669SS**THydrogen-bonded Turntrans-109.6-12.9-173.9-90.8-176175.9167.3-0.3116.2S1198S1198-R1201 PolarHBondContact O-N 3.41Å
1202A31.7Very low35Very low86 Ų86125.2 Ų125.271%0.71168%0.675SS**  trans-105.189176.100000110.2
1203G32Very low35.1Very low69 Ų69128.3 Ų128.371%0.71169%0.69SS**  trans-74.5127.3157.700000108.5
1204N29.7Very low35.2Very low154 Ų154127.5 Ų127.582%0.82468%0.679SS**SBendtrans92.2123.6175.6-52.4-18.2000116
1205S35.9Very low34.9Very low79 Ų79128 Ų12855%0.55269%0.688SS**  trans61.778.6169.668.90000118.8E1207S1205-E1207 VanDerWaalsContact C-N 3.25Å
1206L36.9Very low34.8Very low132 Ų132129.8 Ų129.869%0.69170%0.7SS**SBendtrans-69-23.9158.2-169.471.3000111.8L1210L1206-L1210 HydrophobicContact CG-CD1 4.25Å
1207E40.6Very low34.8Very low163 Ų163133.2 Ų133.276%0.76271%0.708SS**Hα-helixtrans-67.2-33.7176.8-80.7171.6150.100113S1205 E1211S1205-E1207 VanDerWaalsContact C-N 3.25Å; E1207-E1211 PolarHBondContact O-N 3.2Å
1208A38.7Very low35Very low49 Ų49132.5 Ų132.541%0.40571%0.713SS.*Hα-helixtrans-78-24-175.100000114.3
1209L38.8Very low35.5Very low131 Ų131132.2 Ų132.269%0.68672%0.722SS**Hα-helixtrans-85-29.1175.6-79.8166.7000112.1
1210L41.7Very low36.2Very low117 Ų117129.5 Ų129.561%0.61371%0.706SS**Hα-helixtrans-74.9-26175.2-76.2165.5000112.5L1206L1206-L1210 HydrophobicContact CG-CD1 4.25Å
1211E37.2Very low37.3Very low148 Ų148127.4 Ų127.469%0.69270%0.697SS**THydrogen-bonded Turntrans-79.4-19.9176.5-79.6-175.315600114.4E1207E1207-E1211 PolarHBondContact O-N 3.2Å
1212Q34.5Very low39.1Very low162 Ų162117.7 Ų117.776%0.75766%0.664SS**THydrogen-bonded Turntrans-92-16.7-173-112.9-176.2-8.900115.7
1213E36.3Very low41.2Very low177 Ų177113.8 Ų113.883%0.82763%0.631SS**SBendtrans-105.8-4.4178.1-100.2177.2166.800114.3
1214Y36.2Very low43.4Very low173 Ų173110.5 Ų110.568%0.67860%0.597SS**SBendtrans-109.624.6-177.9-106.7-87.8000114.6
1215T28.5Very low45.8Very low118 Ų118103.1 Ų103.172%0.72456%0.557SS**SBendtrans-111.349.7172.759.60000112.1
1216S30.3Very low48.1Very low100 Ų10099.6 Ų99.670%0.69953%0.532SS*.SBendtrans-166.4129159.4550000110.4
1217E33.3Very low50.3Low193 Ų19393.8 Ų93.890%0.90250%0.502SS*.SBendtrans89.2119.4-179.8-54.3-167.2166.200116G1219E1217-G1219 PolarHBondContact O-N 3.03Å
1218A36.9Very low52.3Low89 Ų8986 Ų8674%0.73647%0.466SS*.  trans-51.5124-175.100000112H1220A1218-H1220 PolarHBondContact O-N 2.85Å
1219G41.6Very low54.3Low75 Ų7586.4 Ų86.477%0.77347%0.465SS*.  trans-55.2102.3-176.600000113.4E1217 K1221E1217-G1219 PolarHBondContact O-N 3.03Å; G1219-K1221 PolarHBondContact O-N 2.73Å; G1219-K1221 VanDerWaalsContact O-N 3.16Å
1220H51.8Low56.2Low73 Ų7385.6 Ų85.634%0.33846%0.456SS..  trans-71.3102.1166.9-80.2-68.1000109.6V1156 G1159 A1218 T1222V1156-H1220 WeakPolarHBondContact CG1-CE1 3.5Å; V1156-H1220 WeakPolarHBondContact CG1-NE2 3.31Å; G1159-H1220 PolarHBondContact O-ND1 3.03Å; A1218-H1220 PolarHBondContact O-N 2.85Å; H1220-T1222 PolarHBondContact O-N 3.28Å; H1220-T1222 PolarHBondContact O-OG1 3.47Å
1221K59.3Low58.2Low154 Ų15480.1 Ų80.167%0.6743%0.427SS*.  trans-59.9111.9165-79.1-175.8178.9-179.10108.5L1160 R1161 G1219L1160-K1221 HydrophobicContact CD1-CB 3.58Å; L1160-K1221 WeakPolarHBondContact CD1-O 3.48Å; R1161-K1221 PolarHBondContact N-O 3.12Å; G1219-K1221 PolarHBondContact O-N 2.73Å; G1219-K1221 VanDerWaalsContact O-N 3.16Å
1222T68.7Low59.9Low30 Ų3077 Ų7718%0.18443%0.428CS..EExtended strand (participates in β ladder)trans-104.1130.3179.6-56.80000108.5R1161 H1220 V1254 T1255R1161-T1222 HydrophobicContact CB-CG2 4.29Å; R1161-T1222 CarbonylContact O-C 3.5Å; R1161-T1222 WeakPolarHBondContact O-CA 3.37Å; H1220-T1222 PolarHBondContact O-N 3.28Å; H1220-T1222 PolarHBondContact O-OG1 3.47Å; T1222-V1254 HydrophobicContact CG2-CG1 4.34Å; T1222-V1254 WeakPolarHBondContact O-CA 3.31Å; T1222-T1255 PolarHBondContact O-N 3.27Å
1223V75.9Confident62.3Low3 Ų375.1 Ų75.12%0.01842%0.417CS..EExtended strand (participates in β ladder)trans-109122.3177-179.20000109.4L1160 R1161 I1162 C1163 I1225 T1255 I1257 A1292L1160-V1223 HydrophobicContact CD1-CG2 4.17Å; L1160-V1223 HydrophobicContact CD2-CG2 3.82Å; L1160-V1223 HydrophobicContact CG-CG2 4.22Å; R1161-V1223 PolarHBondContact O-N 2.68Å; I1162-V1223 WeakPolarHBondContact CA-O 3.44Å; I1162-V1223 HydrophobicContact CG1-CB 4.43Å; C1163-V1223 PolarHBondContact N-O 2.79Å; V1223-I1225 HydrophobicContact CG1-CG1 4.48Å; V1223-T1255 CarbonylContact C-O 3.46Å; V1223-T1255 VanDerWaalsContact CA-O 3.31Å; V1223-T1255 WeakPolarHBondContact CA-O 2.96Å; V1223-I1257 HydrophobicContact CG1-CD1 3.68Å; V1223-I1257 HydrophobicContact CG1-CG1 4.08Å; V1223-A1292 HydrophobicContact CG1-CB 3.9Å
1224A77.8Confident64.6Low0 Ų067 Ų670%038%0.379CS..EExtended strand (participates in β ladder)trans-98.8123.2177.100000110C1163 Y1187 V1254 T1255 V1256 I1257C1163-A1224 WeakPolarHBondContact O-CA 3.48Å; Y1187-A1224 HydrophobicContact CD1-CB 4.48Å; Y1187-A1224 HydrophobicContact CE1-CB 3.56Å; Y1187-A1224 HydrophobicContact CE2-CB 4.02Å; Y1187-A1224 WeakPolarHBondContact OH-CA 3.12Å; Y1187-A1224 VanDerWaalsContact OH-CB 3.24Å; Y1187-A1224 WeakPolarHBondContact OH-CB 3.46Å; A1224-V1254 HydrophobicContact CB-CG1 3.55Å; A1224-T1255 PolarHBondContact N-O 2.87Å; A1224-V1256 HydrophobicContact CB-CG1 4.3Å; A1224-V1256 HydrophobicContact CB-CG2 4.23Å; A1224-V1256 CarbonylContact O-C 3.49Å; A1224-V1256 WeakPolarHBondContact O-CA 3.42Å; A1224-I1257 PolarHBondContact O-N 3.49Å
1225I80.6Confident67.1Low0 Ų060.3 Ų60.30%036%0.355CS..EExtended strand (participates in β ladder)trans-109.5117.3173.3-57.5176.5000108.7I1162 C1163 T1164 I1165 V1223 I1257 A1259 I1285 A1288 M1289 A1292I1162-I1225 HydrophobicContact CG2-CD1 3.79Å; I1162-I1225 HydrophobicContact CG2-CG1 4.3Å; C1163-I1225 PolarHBondContact O-N 3.23Å; T1164-I1225 CarbonylContact C-O 3.48Å; T1164-I1225 VanDerWaalsContact CA-O 3.25Å; T1164-I1225 WeakPolarHBondContact CA-O 2.96Å; T1164-I1225 HydrophobicContact CG2-CB 3.59Å; T1164-I1225 HydrophobicContact CG2-CD1 4.37Å; T1164-I1225 HydrophobicContact CG2-CG2 3.62Å; I1165-I1225 PolarHBondContact N-O 3.02Å; V1223-I1225 HydrophobicContact CG1-CG1 4.48Å; I1225-I1257 CarbonylContact C-O 3.58Å; I1225-I1257 VanDerWaalsContact CA-O 3.28Å; I1225-I1257 WeakPolarHBondContact CA-O 3.47Å; I1225-I1257 HydrophobicContact CG1-CB 4.26Å; I1225-A1259 HydrophobicContact CG2-CB 4.06Å; I1225-I1285 HydrophobicContact CG2-CG1 4.32Å; I1225-A1288 HydrophobicContact CG2-CB 4.25Å; I1225-M1289 HydrophobicContact CD1-CG 3.93Å; I1225-A1292 HydrophobicContact CD1-CB 4.36Å
1226I84.9Confident69.8Low4 Ų456.5 Ų56.52%0.02134%0.335CS..EExtended strand (participates in β ladder)trans-99.9112.4176.1-59.5175.5000108.9G1228 F1242 L1246 V1256 I1257 L1258 A1259 F1261I1226-G1228 PolarHBondContact O-N 2.82Å; I1226-F1242 HydrophobicContact CD1-CZ 4.3Å; I1226-F1242 HydrophobicContact CG2-CE2 4.33Å; I1226-F1242 HydrophobicContact CG2-CZ 4.24Å; I1226-L1246 HydrophobicContact CD1-CD2 3.78Å; I1226-V1256 HydrophobicContact CD1-CG1 3.95Å; I1226-V1256 HydrophobicContact CG1-CG1 4.25Å; I1226-I1257 PolarHBondContact N-O 3.34Å; I1226-L1258 HydrophobicContact CB-CD2 4.02Å; I1226-L1258 HydrophobicContact CD1-CD2 4.23Å; I1226-A1259 PolarHBondContact O-N 3.24Å; I1226-F1261 HydrophobicContact CG2-CE2 4.49Å; I1226-F1261 HydrophobicContact CG2-CZ 4.23Å
1227D83.3Confident72.5Confident11 Ų1154.3 Ų54.36%0.05932%0.32CS..EExtended strand (participates in β ladder)trans-84.3107.1175.117814.3000110.9I1165 Q1166 S1229 S1260 I1285I1165-D1227 PolarHBondContact O-N 2.99Å; Q1166-D1227 HydrophobicContact CB-CB 4.14Å; Q1166-D1227 HydrophobicContact CG-CB 4.36Å; Q1166-D1227 PolarHBondContact NE2-OD2 3.47Å; D1227-S1229 WeakPolarHBondContact OD1-CB 3.37Å; D1227-S1229 PolarHBondContact OD1-N 3.48Å; D1227-S1229 PolarHBondContact OD1-OG 3.36Å; D1227-S1229 PolarHBondContact OD2-OG 2.89Å; D1227-S1260 VanDerWaalsContact OD1-CB 3.3Å; D1227-S1260 WeakPolarHBondContact OD1-CB 3.31Å; D1227-I1285 HydrophobicContact CB-CD1 3.85Å
1228G82.5Confident75.1Confident0 Ų045.1 Ų45.10%028%0.277CS..  trans-86.47.5178.500000115.3I1226 K1230 I1231 A1259 S1260I1226-G1228 PolarHBondContact O-N 2.82Å; G1228-K1230 PolarHBondContact O-N 3Å; G1228-I1231 PolarHBondContact O-N 3.3Å; G1228-A1259 PolarHBondContact N-O 3.26Å; G1228-S1260 CarbonylContact C-O 3.34Å
1229S80.9Confident77.5Confident57 Ų5740.9 Ų40.940%0.39924%0.242SC..THydrogen-bonded Turntrans-59.2-30.5-175.156.40000114.4Q1166 D1227 S1260Q1166-S1229 PolarHBondContact NE2-OG 3.09Å; Q1166-S1229 VanDerWaalsContact NE2-OG 3.1Å; D1227-S1229 WeakPolarHBondContact OD1-CB 3.37Å; D1227-S1229 PolarHBondContact OD1-N 3.48Å; D1227-S1229 PolarHBondContact OD1-OG 3.36Å; D1227-S1229 PolarHBondContact OD2-OG 2.89Å; S1229-S1260 VanDerWaalsContact CA-O 3.28Å; S1229-S1260 WeakPolarHBondContact CA-O 3.48Å; S1229-S1260 PolarHBondContact N-O 3.3Å
1230K77.4Confident79.7Confident114 Ų11440 Ų4050%0.49622%0.22SC..THydrogen-bonded Turntrans-96.7-4177.6-69.4-168.1-179.71760114.4Q1166 Y1167 G1228 A1232Q1166-K1230 HydrophobicContact CG-CD 4.35Å; Q1166-K1230 HydrophobicContact CG-CG 4.45Å; Y1167-K1230 VanDerWaalsContact O-CB 3.31Å; Y1167-K1230 WeakPolarHBondContact O-CB 3.24Å; G1228-K1230 PolarHBondContact O-N 3Å; K1230-A1232 PolarHBondContact O-N 3.23Å
1231I83.3Confident81.4Confident1 Ų137.5 Ų37.51%0.00521%0.21CC..  trans-81.487.2176.9-56.7178.1000108.9Y1167 V1171 G1228 F1233 M1234 F1261Y1167-I1231 HydrophobicContact CD1-CG1 4.34Å; V1171-I1231 HydrophobicContact CG2-CD1 4.19Å; V1171-I1231 HydrophobicContact CG2-CG2 4.11Å; G1228-I1231 PolarHBondContact O-N 3.3Å; I1231-F1233 VanDerWaalsContact C-N 3.31Å; I1231-F1233 PolarHBondContact O-N 3.43Å; I1231-M1234 HydrophobicContact CG2-CE 4.04Å; I1231-F1261 HydrophobicContact CD1-CE1 3.88Å; I1231-F1261 HydrophobicContact CD1-CZ 4.15Å
1232A74.5Confident82.8Confident84 Ų8430.2 Ų30.269%0.69418%0.178SC*.  trans-67.7-29.7-17700000113.5K1230K1230-A1232 PolarHBondContact O-N 3.23Å
1233F83.7Confident83.7Confident121 Ų12132.7 Ų32.753%0.53118%0.184SC..  trans-155.1147-174.6174.2-100.6000111.3P1170 V1171 I1231 D1235P1170-F1233 WeakPolarHBondContact CA-O 3.45Å; P1170-F1233 HydrophobicContact CB-CB 4.37Å; V1171-F1233 PolarHBondContact N-O 3.08Å; I1231-F1233 VanDerWaalsContact C-N 3.31Å; I1231-F1233 PolarHBondContact O-N 3.43Å; F1233-D1235 HydrophobicContact CE1-CB 3.96Å; F1233-D1235 HydrophobicContact CZ-CB 4.07Å
1234M85.8Confident84.2Confident7 Ų737.4 Ų37.43%0.03421%0.206CC..BIsolated β-bridgetrans-139.8135.5174-164.5177.2-65.600109.8V1171 I1231 A1239 F1242 F1261 T1265 L1269V1171-M1234 HydrophobicContact CB-CE 4.09Å; V1171-M1234 HydrophobicContact CB-CG 4.09Å; V1171-M1234 HydrophobicContact CG1-CE 4.5Å; V1171-M1234 HydrophobicContact CG1-CG 4.4Å; V1171-M1234 HydrophobicContact CG2-CE 4.31Å; V1171-M1234 VanDerWaalsContact O-CA 3.25Å; V1171-M1234 WeakPolarHBondContact O-CA 3.42Å; V1171-M1234 WeakPolarHBondContact O-CG 3.21Å; I1231-M1234 HydrophobicContact CG2-CE 4.04Å; M1234-A1239 HydrophobicContact CG-CB 4.35Å; M1234-A1239 HydrophobicContact SD-CB 4.02Å; M1234-F1242 HydrophobicContact CE-CD2 3.89Å; M1234-F1242 HydrophobicContact CE-CE2 4.24Å; M1234-F1242 HydrophobicContact CE-CG 4.18Å; M1234-F1242 HydrophobicContact SD-CB 4.27Å; M1234-F1242 HydrophobicContact SD-CG 4.37Å; M1234-F1261 HydrophobicContact CE-CE1 4.42Å; M1234-T1265 HydrophobicContact CB-CG2 4.01Å; M1234-T1265 HydrophobicContact CE-CG2 4.26Å; M1234-L1269 HydrophobicContact CE-CD2 4.36Å; M1234-L1269 HydrophobicContact SD-CD2 3.58Å; M1234-L1269 VanDerWaalsContact SD-CD2 3.58Å; M1234-L1269 HydrophobicContact SD-CG 4.22Å
1235D88.4Confident84.6Confident32 Ų3237.6 Ų37.617%0.17121%0.207CC..  trans-99.7179.9174.27111.4000111.8V1171 C1172 F1173 F1233 S1237 G1238 A1239V1171-D1235 PolarHBondContact O-N 3.41Å; C1172-D1235 WeakPolarHBondContact CA-OD1 3.17Å; C1172-D1235 WeakPolarHBondContact CA-OD2 3.42Å; C1172-D1235 WeakPolarHBondContact CB-OD2 3.4Å; F1173-D1235 PolarHBondContact N-OD1 3.33Å; F1173-D1235 PolarHBondContact N-OD2 3.49Å; F1233-D1235 HydrophobicContact CE1-CB 3.96Å; F1233-D1235 HydrophobicContact CZ-CB 4.07Å; D1235-S1237 PolarHBondContact O-N 3.02Å; D1235-S1237 PolarHBondContact OD1-N 3.38Å; D1235-G1238 PolarHBondContact O-N 3.03Å; D1235-G1238 PolarHBondContact OD1-N 3.21Å; D1235-A1239 WeakPolarHBondContact O-CB 3.38Å; D1235-A1239 PolarHBondContact O-N 2.96Å
1236A85.9Confident84.8Confident38 Ų3838.1 Ų38.131%0.31421%0.21SC..Hα-helixtrans-61.4-44.1-178.300000112.3A1239 D1240 Y1272A1236-A1239 PolarHBondContact O-N 3.3Å; A1236-D1240 PolarHBondContact O-N 3.11Å; A1236-Y1272 HydrophobicContact CB-CE1 4.05Å; A1236-Y1272 VanDerWaalsContact CB-OH 3.22Å; A1236-Y1272 WeakPolarHBondContact CB-OH 3.13Å
1237S86.6Confident84.7Confident55 Ų5541.6 Ų41.639%0.38523%0.228SC..Hα-helixtrans-64.2-42.6178.4-171.80000111.3D1235 D1240 V1241D1235-S1237 PolarHBondContact O-N 3.02Å; D1235-S1237 PolarHBondContact OD1-N 3.38Å; S1237-D1240 PolarHBondContact O-N 3.49Å; S1237-V1241 WeakPolarHBondContact O-CG2 3.45Å; S1237-V1241 PolarHBondContact O-N 3.2Å
1238G87.1Confident84.7Confident0 Ų043.7 Ų43.70%024%0.239CC..Hα-helixtrans-63.1-42.4175.500000112D1235 V1241 F1242D1235-G1238 PolarHBondContact O-N 3.03Å; D1235-G1238 PolarHBondContact OD1-N 3.21Å; G1238-V1241 PolarHBondContact O-N 3.36Å; G1238-F1242 WeakPolarHBondContact O-CB 3.29Å; G1238-F1242 PolarHBondContact O-N 2.65Å
1239A88.1Confident84.5Confident0 Ų043.7 Ų43.70%024%0.24CC..Hα-helixtrans-66.1-38.6176.600000112.6M1234 D1235 A1236 F1242 R1243 F1268 L1269 Y1272M1234-A1239 HydrophobicContact CG-CB 4.35Å; M1234-A1239 HydrophobicContact SD-CB 4.02Å; D1235-A1239 WeakPolarHBondContact O-CB 3.38Å; D1235-A1239 PolarHBondContact O-N 2.96Å; A1236-A1239 PolarHBondContact O-N 3.3Å; A1239-F1242 PolarHBondContact O-N 3.15Å; A1239-R1243 WeakPolarHBondContact O-CB 3.43Å; A1239-R1243 PolarHBondContact O-N 3.47Å; A1239-F1268 HydrophobicContact CB-CD1 4.33Å; A1239-F1268 HydrophobicContact CB-CE1 3.92Å; A1239-L1269 HydrophobicContact CB-CD2 4.33Å; A1239-Y1272 HydrophobicContact CB-CG 4.3Å
1240D87.8Confident84.3Confident56 Ų5645 Ų4530%0.29924%0.239SC..Hα-helixtrans-65-46.9175.6-85.9-36000111.9A1236 S1237 F1242 R1243 Q1244A1236-D1240 PolarHBondContact O-N 3.11Å; S1237-D1240 PolarHBondContact O-N 3.49Å; D1240-F1242 VanDerWaalsContact C-N 3.34Å; D1240-R1243 PolarHBondContact O-N 3.43Å; D1240-R1243 IonicContact OD1-CZ 2.86Å; D1240-R1243 IonicContact OD1-NE 3.53Å; D1240-R1243 IonicContact OD1-NH2 3.43Å; D1240-R1243 PolarHBondContact OD1-NH2 3.01Å; D1240-Q1244 WeakPolarHBondContact O-CG 3.4Å; D1240-Q1244 PolarHBondContact O-N 2.95Å
1241V87.3Confident84.2Confident21 Ų2143.8 Ų43.813%0.12725%0.251CS..Hα-helixtrans-65.4-39.1176175.70000111.1A1176 R1180 S1237 G1238 Q1244 T1245A1176-V1241 HydrophobicContact CB-CB 4.01Å; A1176-V1241 HydrophobicContact CB-CG1 4.23Å; A1176-V1241 HydrophobicContact CB-CG2 4.01Å; A1176-V1241 WeakPolarHBondContact O-CG1 3.38Å; R1180-V1241 HydrophobicContact CB-CG1 3.91Å; S1237-V1241 WeakPolarHBondContact O-CG2 3.45Å; S1237-V1241 PolarHBondContact O-N 3.2Å; G1238-V1241 PolarHBondContact O-N 3.36Å; V1241-Q1244 PolarHBondContact O-N 3.24Å; V1241-T1245 WeakPolarHBondContact O-CB 3.45Å; V1241-T1245 PolarHBondContact O-N 3.25Å; V1241-T1245 PolarHBondContact O-OG1 3.1Å
1242F89.1Confident83.7Confident1 Ų146.8 Ų46.80%0.00427%0.269CS..Hα-helixtrans-59.6-48.8175.6-170.4-88.5000110.6F1179 I1226 M1234 G1238 A1239 D1240 T1245 L1246 L1258 F1261 L1269F1179-F1242 HydrophobicContact CD1-CD2 4.25Å; F1179-F1242 AromaticContact CE1-CD2 3.35Å; F1179-F1242 HydrophobicContact CE1-CD2 3.35Å; F1179-F1242 AromaticContact CE1-CE2 3.8Å; F1179-F1242 HydrophobicContact CE1-CE2 3.8Å; F1179-F1242 HydrophobicContact CE1-CG 4.28Å; F1179-F1242 HydrophobicContact CE2-CD2 4.41Å; F1179-F1242 HydrophobicContact CE2-CE2 4.24Å; F1179-F1242 AromaticContact CZ-CD2 3.45Å; F1179-F1242 HydrophobicContact CZ-CD2 3.45Å; F1179-F1242 VanDerWaalsContact CZ-CD2 3.45Å; F1179-F1242 AromaticContact CZ-CE2 3.37Å; F1179-F1242 HydrophobicContact CZ-CE2 3.37Å; I1226-F1242 HydrophobicContact CD1-CZ 4.3Å; I1226-F1242 HydrophobicContact CG2-CE2 4.33Å; I1226-F1242 HydrophobicContact CG2-CZ 4.24Å; M1234-F1242 HydrophobicContact CE-CD2 3.89Å; M1234-F1242 HydrophobicContact CE-CE2 4.24Å; M1234-F1242 HydrophobicContact CE-CG 4.18Å; M1234-F1242 HydrophobicContact SD-CB 4.27Å; M1234-F1242 HydrophobicContact SD-CG 4.37Å; G1238-F1242 WeakPolarHBondContact O-CB 3.29Å; G1238-F1242 PolarHBondContact O-N 2.65Å; A1239-F1242 PolarHBondContact O-N 3.15Å; D1240-F1242 VanDerWaalsContact C-N 3.34Å; F1242-T1245 WeakPolarHBondContact O-CB 3.42Å; F1242-T1245 PolarHBondContact O-N 2.74Å; F1242-L1246 HydrophobicContact CD1-CD1 3.87Å; F1242-L1246 HydrophobicContact CD1-CG 4.2Å; F1242-L1246 HydrophobicContact CE1-CD1 3.66Å; F1242-L1246 HydrophobicContact CE1-CD2 4.37Å; F1242-L1246 HydrophobicContact CE1-CG 4.08Å; F1242-L1246 WeakPolarHBondContact O-CG 3.36Å; F1242-L1246 PolarHBondContact O-N 3.25Å; F1242-L1258 HydrophobicContact CE1-CD1 4.41Å; F1242-L1258 HydrophobicContact CE1-CD2 3.95Å; F1242-L1258 HydrophobicContact CZ-CD2 3.81Å; F1242-F1261 HydrophobicContact CE2-CZ 4.26Å; F1242-F1261 HydrophobicContact CZ-CE1 4.35Å; F1242-F1261 AromaticContact CZ-CZ 3.75Å; F1242-F1261 HydrophobicContact CZ-CZ 3.75Å; F1242-L1269 HydrophobicContact CD1-CD2 3.89Å; F1242-L1269 HydrophobicContact CE1-CD1 4.32Å; F1242-L1269 HydrophobicContact CE1-CD2 4.34Å
1243R87Confident83.5Confident82 Ų8245.2 Ų45.231%0.30926%0.261SS..Hα-helixtrans-62-43176.4-178.7179.259151.6-4.9112.5A1239 D1240 T1245 L1246 N1247 V1274A1239-R1243 WeakPolarHBondContact O-CB 3.43Å; A1239-R1243 PolarHBondContact O-N 3.47Å; D1240-R1243 PolarHBondContact O-N 3.43Å; D1240-R1243 IonicContact OD1-CZ 2.86Å; D1240-R1243 IonicContact OD1-NE 3.53Å; D1240-R1243 IonicContact OD1-NH2 3.43Å; D1240-R1243 PolarHBondContact OD1-NH2 3.01Å; R1243-T1245 VanDerWaalsContact C-N 3.32Å; R1243-T1245 PolarHBondContact O-N 2.97Å; R1243-L1246 PolarHBondContact O-N 3.14Å; R1243-N1247 VanDerWaalsContact O-CG 3.31Å; R1243-N1247 PolarHBondContact O-N 3.02Å; R1243-N1247 PolarHBondContact O-OD1 3.39Å; R1243-V1274 HydrophobicContact CB-CG2 3.95Å; R1243-V1274 HydrophobicContact CG-CG2 4.12Å
1244Q86.4Confident83.2Confident102 Ų10240.1 Ų40.148%0.47724%0.239SC..Hα-helixtrans-60-45.2175.2-76175.2-0.700111D1240 V1241 L1246 N1247 D1248D1240-Q1244 WeakPolarHBondContact O-CG 3.4Å; D1240-Q1244 PolarHBondContact O-N 2.95Å; V1241-Q1244 PolarHBondContact O-N 3.24Å; Q1244-L1246 VanDerWaalsContact C-N 3.3Å; Q1244-L1246 PolarHBondContact O-N 3.01Å; Q1244-N1247 PolarHBondContact O-N 2.75Å; Q1244-D1248 WeakPolarHBondContact O-CB 3.4Å; Q1244-D1248 PolarHBondContact O-N 3.4Å
1245T85.6Confident82.8Confident3 Ų342.5 Ų42.52%0.01825%0.254CS..Hα-helixtrans-59.8-40.1176.5-49.70000111.9R1180 V1183 V1241 F1242 R1243 L1249R1180-T1245 HydrophobicContact CG-CG2 4.27Å; R1180-T1245 WeakPolarHBondContact CG-OG1 3.32Å; V1183-T1245 HydrophobicContact CB-CG2 4.13Å; V1183-T1245 HydrophobicContact CG1-CG2 3.79Å; V1241-T1245 WeakPolarHBondContact O-CB 3.45Å; V1241-T1245 PolarHBondContact O-N 3.25Å; V1241-T1245 PolarHBondContact O-OG1 3.1Å; F1242-T1245 WeakPolarHBondContact O-CB 3.42Å; F1242-T1245 PolarHBondContact O-N 2.74Å; R1243-T1245 VanDerWaalsContact C-N 3.32Å; R1243-T1245 PolarHBondContact O-N 2.97Å; T1245-L1249 HydrophobicContact CG2-CD1 4.44Å; T1245-L1249 VanDerWaalsContact O-CG 3.29Å; T1245-L1249 WeakPolarHBondContact O-CG 3.25Å; T1245-L1249 PolarHBondContact O-N 3.19Å
1246L85.7Confident82.5Confident11 Ų1141.2 Ų41.26%0.05825%0.248CC..Hα-helixtrans-63.9-47.4175.2-68.7-179.8000112.2I1226 F1242 R1243 Q1244 D1248 L1249 E1250 V1256 L1258 V1274I1226-L1246 HydrophobicContact CD1-CD2 3.78Å; F1242-L1246 HydrophobicContact CD1-CD1 3.87Å; F1242-L1246 HydrophobicContact CD1-CG 4.2Å; F1242-L1246 HydrophobicContact CE1-CD1 3.66Å; F1242-L1246 HydrophobicContact CE1-CD2 4.37Å; F1242-L1246 HydrophobicContact CE1-CG 4.08Å; F1242-L1246 WeakPolarHBondContact O-CG 3.36Å; F1242-L1246 PolarHBondContact O-N 3.25Å; R1243-L1246 PolarHBondContact O-N 3.14Å; Q1244-L1246 VanDerWaalsContact C-N 3.3Å; Q1244-L1246 PolarHBondContact O-N 3.01Å; L1246-D1248 VanDerWaalsContact C-N 3.31Å; L1246-D1248 PolarHBondContact O-N 2.89Å; L1246-L1249 WeakPolarHBondContact O-CB 3.39Å; L1246-L1249 PolarHBondContact O-N 3.14Å; L1246-E1250 PolarHBondContact O-N 3.15Å; L1246-V1256 HydrophobicContact CD2-CB 4.08Å; L1246-V1256 HydrophobicContact CD2-CG1 3.49Å; L1246-V1256 VanDerWaalsContact CD2-CG1 3.49Å; L1246-V1256 HydrophobicContact CD2-CG2 4.2Å; L1246-L1258 HydrophobicContact CD1-CD1 4.49Å; L1246-L1258 HydrophobicContact CD2-CD2 4.27Å; L1246-V1274 HydrophobicContact CD1-CG1 3.63Å
1247N83.4Confident82.2Confident77 Ų7739.7 Ų39.741%0.41223%0.234SC..Hα-helixtrans-63.3-39.3178.8-67.8-8.9000111.5R1243 Q1244 L1249 E1250 A1251R1243-N1247 VanDerWaalsContact O-CG 3.31Å; R1243-N1247 PolarHBondContact O-N 3.02Å; R1243-N1247 PolarHBondContact O-OD1 3.39Å; Q1244-N1247 PolarHBondContact O-N 2.75Å; N1247-L1249 VanDerWaalsContact C-N 3.33Å; N1247-E1250 PolarHBondContact O-N 3.02Å; N1247-A1251 VanDerWaalsContact O-CB 3.31Å; N1247-A1251 WeakPolarHBondContact O-CB 3.22Å; N1247-A1251 PolarHBondContact O-N 3.45Å
1248D82Confident82.2Confident55 Ų5537.6 Ų37.629%0.29422%0.219SC..Hα-helixtrans-62.2-41.1175.7-68.5-10.4000110.5R1180 Q1244 L1246 V1252R1180-D1248 IonicContact CZ-OD2 3.97Å; R1180-D1248 IonicContact NE-OD2 3Å; R1180-D1248 IonicContact NH2-OD2 2.97Å; R1180-D1248 PolarHBondContact NH2-OD2 3.43Å; Q1244-D1248 WeakPolarHBondContact O-CB 3.4Å; Q1244-D1248 PolarHBondContact O-N 3.4Å; L1246-D1248 VanDerWaalsContact C-N 3.31Å; L1246-D1248 PolarHBondContact O-N 2.89Å; D1248-V1252 WeakPolarHBondContact O-CG2 3.29Å; D1248-V1252 PolarHBondContact O-N 3.42Å
1249L78.2Confident82Confident1 Ų137.6 Ų37.61%0.00522%0.219CC..Hα-helixtrans-65.4-45.3175.6-74.2167.4000112.1V1183 Y1187 L1189 T1245 L1246 N1247 A1251 V1252 G1253 V1254 V1256V1183-L1249 HydrophobicContact CG1-CD1 3.95Å; Y1187-L1249 HydrophobicContact CD2-CD2 3.98Å; Y1187-L1249 HydrophobicContact CE2-CD1 4.49Å; Y1187-L1249 HydrophobicContact CG-CD2 4.37Å; L1189-L1249 HydrophobicContact CD1-CD2 3.8Å; T1245-L1249 HydrophobicContact CG2-CD1 4.44Å; T1245-L1249 VanDerWaalsContact O-CG 3.29Å; T1245-L1249 WeakPolarHBondContact O-CG 3.25Å; T1245-L1249 PolarHBondContact O-N 3.19Å; L1246-L1249 WeakPolarHBondContact O-CB 3.39Å; L1246-L1249 PolarHBondContact O-N 3.14Å; N1247-L1249 VanDerWaalsContact C-N 3.33Å; L1249-A1251 VanDerWaalsContact C-N 3.34Å; L1249-A1251 PolarHBondContact O-N 3.05Å; L1249-V1252 PolarHBondContact O-N 2.97Å; L1249-G1253 PolarHBondContact O-N 2.85Å; L1249-V1254 HydrophobicContact CB-CB 4.34Å; L1249-V1254 WeakPolarHBondContact O-CB 3.43Å; L1249-V1254 PolarHBondContact O-N 3.02Å; L1249-V1256 HydrophobicContact CB-CG2 3.89Å; L1249-V1256 HydrophobicContact CD1-CG2 4.09Å
1250E78Confident81.8Confident83 Ų8339.1 Ų39.139%0.38823%0.229SC..Hα-helixtrans-64.8-37.2178.2-74.1-177.2174.300112.1L1246 N1247 V1252 G1253 V1254 V1256L1246-E1250 PolarHBondContact O-N 3.15Å; N1247-E1250 PolarHBondContact O-N 3.02Å; E1250-V1252 PolarHBondContact O-N 3.3Å; E1250-G1253 PolarHBondContact O-N 2.7Å; E1250-V1254 WeakPolarHBondContact CA-O 3.46Å; E1250-V1256 HydrophobicContact CG-CG2 4.38Å
1251A74.5Confident81.7Confident89 Ų8936.8 Ų36.874%0.73622%0.216SC*.Hα-helixtrans-62.6-28.4176.400000113N1247 L1249 G1253N1247-A1251 VanDerWaalsContact O-CB 3.31Å; N1247-A1251 WeakPolarHBondContact O-CB 3.22Å; N1247-A1251 PolarHBondContact O-N 3.45Å; L1249-A1251 VanDerWaalsContact C-N 3.34Å; L1249-A1251 PolarHBondContact O-N 3.05Å; A1251-G1253 VanDerWaalsContact C-N 3.28Å
1252V73.3Confident81.5Confident65 Ų6538.9 Ų38.939%0.39423%0.23SC..THydrogen-bonded Turntrans-87.44.2175.1-173.20000112.2L1189 D1248 L1249 E1250L1189-V1252 HydrophobicContact CD2-CB 4.12Å; L1189-V1252 HydrophobicContact CD2-CG1 3.53Å; L1189-V1252 HydrophobicContact CD2-CG2 4.08Å; D1248-V1252 WeakPolarHBondContact O-CG2 3.29Å; D1248-V1252 PolarHBondContact O-N 3.42Å; L1249-V1252 PolarHBondContact O-N 2.97Å; E1250-V1252 PolarHBondContact O-N 3.3Å
1253G70.5Confident81.1Confident50 Ų5045 Ų4552%0.51526%0.258SS..THydrogen-bonded Turntrans84.517.9177.800000114.6L1249 E1250 A1251L1249-G1253 PolarHBondContact O-N 2.85Å; E1250-G1253 PolarHBondContact O-N 2.7Å; A1251-G1253 VanDerWaalsContact C-N 3.28Å
1254V76.4Confident80.8Confident14 Ų1449.8 Ų49.89%0.08528%0.281CS..EExtended strand (participates in β ladder)trans-89.2122.8173.9-175.80000109.6T1222 A1224 L1249 E1250T1222-V1254 HydrophobicContact CG2-CG1 4.34Å; T1222-V1254 WeakPolarHBondContact O-CA 3.31Å; A1224-V1254 HydrophobicContact CB-CG1 3.55Å; L1249-V1254 HydrophobicContact CB-CB 4.34Å; L1249-V1254 WeakPolarHBondContact O-CB 3.43Å; L1249-V1254 PolarHBondContact O-N 3.02Å; E1250-V1254 WeakPolarHBondContact CA-O 3.46Å
1255T77.5Confident80.7Confident57 Ų5745.2 Ų45.235%0.3526%0.26SS..EExtended strand (participates in β ladder)trans-82.1121.4174.9-50.90000109.7T1222 V1223 A1224 M1295T1222-T1255 PolarHBondContact O-N 3.27Å; V1223-T1255 CarbonylContact C-O 3.46Å; V1223-T1255 VanDerWaalsContact CA-O 3.31Å; V1223-T1255 WeakPolarHBondContact CA-O 2.96Å; A1224-T1255 PolarHBondContact N-O 2.87Å; T1255-M1295 HydrophobicContact CG2-SD 4.24Å
1256V81.5Confident80.5Confident5 Ų545.5 Ų45.53%0.0326%0.263CS..EExtended strand (participates in β ladder)trans-101133.3-176.9-166.80000112.2A1224 I1226 L1246 L1249 E1250 L1258A1224-V1256 HydrophobicContact CB-CG1 4.3Å; A1224-V1256 HydrophobicContact CB-CG2 4.23Å; A1224-V1256 CarbonylContact O-C 3.49Å; A1224-V1256 WeakPolarHBondContact O-CA 3.42Å; I1226-V1256 HydrophobicContact CD1-CG1 3.95Å; I1226-V1256 HydrophobicContact CG1-CG1 4.25Å; L1246-V1256 HydrophobicContact CD2-CB 4.08Å; L1246-V1256 HydrophobicContact CD2-CG1 3.49Å; L1246-V1256 VanDerWaalsContact CD2-CG1 3.49Å; L1246-V1256 HydrophobicContact CD2-CG2 4.2Å; L1249-V1256 HydrophobicContact CB-CG2 3.89Å; L1249-V1256 HydrophobicContact CD1-CG2 4.09Å; E1250-V1256 HydrophobicContact CG-CG2 4.38Å; V1256-L1258 HydrophobicContact CG1-CD2 4.46Å
1257I81Confident80.3Confident7 Ų751.3 Ų51.34%0.03629%0.288CS..EExtended strand (participates in β ladder)trans-120123.2174.1-54.8177000108.3V1223 A1224 I1225 I1226 A1288 I1291 A1292V1223-I1257 HydrophobicContact CG1-CD1 3.68Å; V1223-I1257 HydrophobicContact CG1-CG1 4.08Å; A1224-I1257 PolarHBondContact O-N 3.49Å; I1225-I1257 CarbonylContact C-O 3.58Å; I1225-I1257 VanDerWaalsContact CA-O 3.28Å; I1225-I1257 WeakPolarHBondContact CA-O 3.47Å; I1225-I1257 HydrophobicContact CG1-CB 4.26Å; I1226-I1257 PolarHBondContact N-O 3.34Å; I1257-A1288 HydrophobicContact CG2-CB 3.81Å; I1257-I1291 HydrophobicContact CD1-CG2 4.28Å; I1257-A1292 HydrophobicContact CD1-CB 3.99Å
1258L86.1Confident80.2Confident10 Ų1050.7 Ų50.75%0.05228%0.282CS..EExtended strand (participates in β ladder)trans-88.9134174-59179.1000109I1226 F1242 L1246 V1256 F1261 V1274 I1281I1226-L1258 HydrophobicContact CB-CD2 4.02Å; I1226-L1258 HydrophobicContact CD1-CD2 4.23Å; F1242-L1258 HydrophobicContact CE1-CD1 4.41Å; F1242-L1258 HydrophobicContact CE1-CD2 3.95Å; F1242-L1258 HydrophobicContact CZ-CD2 3.81Å; L1246-L1258 HydrophobicContact CD1-CD1 4.49Å; L1246-L1258 HydrophobicContact CD2-CD2 4.27Å; V1256-L1258 HydrophobicContact CG1-CD2 4.46Å; L1258-F1261 HydrophobicContact CB-CD2 4.17Å; L1258-F1261 HydrophobicContact CB-CE2 3.9Å; L1258-F1261 HydrophobicContact CD2-CE2 4.05Å; L1258-F1261 HydrophobicContact CD2-CZ 4.39Å; L1258-F1261 HydrophobicContact CG-CE2 4.45Å; L1258-V1274 HydrophobicContact CD1-CG1 4.22Å; L1258-I1281 HydrophobicContact CB-CG2 4.47Å; L1258-I1281 HydrophobicContact CD1-CG1 4.29Å
1259A81.8Confident80.3Confident0 Ų048.1 Ų48.10%027%0.268CS..EExtended strand (participates in β ladder)trans-134.1150.4-179.200000112.2I1225 I1226 G1228 F1261 I1285 A1288I1225-A1259 HydrophobicContact CG2-CB 4.06Å; I1226-A1259 PolarHBondContact O-N 3.24Å; G1228-A1259 PolarHBondContact N-O 3.26Å; A1259-F1261 VanDerWaalsContact C-N 3.27Å; A1259-F1261 WeakPolarHBondContact O-CD2 3.29Å; A1259-F1261 PolarHBondContact O-N 3.27Å; A1259-F1261 VanDerWaalsContact O-N 3.13Å; A1259-I1285 HydrophobicContact CB-CG1 4.44Å; A1259-A1288 HydrophobicContact CB-CB 3.85Å
1260S84.3Confident80.4Confident32 Ų3253.5 Ų53.522%0.22429%0.291CS..SBendtrans55.825.3170.9-45.40000117D1227 G1228 S1229 V1283D1227-S1260 VanDerWaalsContact OD1-CB 3.3Å; D1227-S1260 WeakPolarHBondContact OD1-CB 3.31Å; G1228-S1260 CarbonylContact C-O 3.34Å; S1229-S1260 VanDerWaalsContact CA-O 3.28Å; S1229-S1260 WeakPolarHBondContact CA-O 3.48Å; S1229-S1260 PolarHBondContact N-O 3.3Å; S1260-V1283 PolarHBondContact N-O 3.22Å
1261F85.4Confident80.6Confident7 Ų758.1 Ų58.13%0.03131%0.31CS..  trans-72.1143.7173.7-76.7-98.4000111.3I1226 I1231 M1234 F1242 L1258 A1259 T1265 A1266 L1269 I1281 C1282I1226-F1261 HydrophobicContact CG2-CE2 4.49Å; I1226-F1261 HydrophobicContact CG2-CZ 4.23Å; I1231-F1261 HydrophobicContact CD1-CE1 3.88Å; I1231-F1261 HydrophobicContact CD1-CZ 4.15Å; M1234-F1261 HydrophobicContact CE-CE1 4.42Å; F1242-F1261 HydrophobicContact CE2-CZ 4.26Å; F1242-F1261 HydrophobicContact CZ-CE1 4.35Å; F1242-F1261 AromaticContact CZ-CZ 3.75Å; F1242-F1261 HydrophobicContact CZ-CZ 3.75Å; L1258-F1261 HydrophobicContact CB-CD2 4.17Å; L1258-F1261 HydrophobicContact CB-CE2 3.9Å; L1258-F1261 HydrophobicContact CD2-CE2 4.05Å; L1258-F1261 HydrophobicContact CD2-CZ 4.39Å; L1258-F1261 HydrophobicContact CG-CE2 4.45Å; A1259-F1261 VanDerWaalsContact C-N 3.27Å; A1259-F1261 WeakPolarHBondContact O-CD2 3.29Å; A1259-F1261 PolarHBondContact O-N 3.27Å; A1259-F1261 VanDerWaalsContact O-N 3.13Å; F1261-T1265 HydrophobicContact CD1-CG2 4.06Å; F1261-A1266 HydrophobicContact CB-CB 4.47Å; F1261-L1269 HydrophobicContact CD1-CD1 4.17Å; F1261-L1269 HydrophobicContact CE1-CD1 4.07Å; F1261-I1281 HydrophobicContact CB-CG2 3.81Å; F1261-I1281 HydrophobicContact CD2-CG2 4.04Å; F1261-I1281 HydrophobicContact CG-CG2 4.06Å; F1261-I1281 PolarHBondContact N-O 3.17Å; F1261-C1282 PolarHBondContact O-SG 3.14Å; F1261-C1282 VanDerWaalsContact O-SG 3.33Å
1262T83.4Confident80.7Confident66 Ų6657.7 Ų57.741%0.40529%0.29SS..  trans-62.7147.1170.673.90000110.7K1264 T1265 A1266T1262-K1264 PolarHBondContact O-N 2.93Å; T1262-K1264 VanDerWaalsContact O-N 3.07Å; T1262-T1265 PolarHBondContact O-N 3.36Å; T1262-T1265 PolarHBondContact OG1-OG1 3.39Å; T1262-A1266 PolarHBondContact O-N 2.94Å
1263E81.4Confident80.7Confident129 Ų12956.9 Ų56.960%0.60329%0.294SS*.Hα-helixtrans-55.6-32.4-176.8-161.9-166.8159.400112.7K1267E1263-K1267 WeakPolarHBondContact O-CB 3.38Å; E1263-K1267 WeakPolarHBondContact O-CG 3.39Å; E1263-K1267 PolarHBondContact O-N 3.47Å; E1263-K1267 VanDerWaalsContact OE1-CE 3.28Å; E1263-K1267 WeakPolarHBondContact OE1-CE 3.37Å; E1263-K1267 IonicContact OE1-NZ 3.7Å; E1263-K1267 PolarHBondContact OE1-NZ 2.96Å
1264K80.9Confident80.7Confident182 Ų18254.9 Ų54.979%0.79127%0.272SS*.Hα-helixtrans-65.1-50.7174.9-93.6-174.7176178.20112.1T1262 A1266 K1267 F1268T1262-K1264 PolarHBondContact O-N 2.93Å; T1262-K1264 VanDerWaalsContact O-N 3.07Å; K1264-A1266 VanDerWaalsContact C-N 3.32Å; K1264-K1267 PolarHBondContact O-N 3.23Å; K1264-F1268 WeakPolarHBondContact O-CB 3.13Å; K1264-F1268 PolarHBondContact O-N 3.19Å
1265T83.1Confident79.8Confident7 Ų757.9 Ų57.94%0.04329%0.292CS..Hα-helixtrans-66-39.1-178.9-38.60000110.5M1234 F1261 T1262 F1268 L1269M1234-T1265 HydrophobicContact CB-CG2 4.01Å; M1234-T1265 HydrophobicContact CE-CG2 4.26Å; F1261-T1265 HydrophobicContact CD1-CG2 4.06Å; T1262-T1265 PolarHBondContact O-N 3.36Å; T1262-T1265 PolarHBondContact OG1-OG1 3.39Å; T1265-F1268 WeakPolarHBondContact O-CB 3.31Å; T1265-F1268 PolarHBondContact O-N 2.66Å; T1265-L1269 WeakPolarHBondContact O-CG 3.44Å; T1265-L1269 PolarHBondContact O-N 3.04Å
1266A81.5Confident78.7Confident9 Ų960.3 Ų60.37%0.07430%0.299CS..Hα-helixtrans-61.1-49176.400000112.5F1261 T1262 K1264 F1268 L1269 K1270 I1281F1261-A1266 HydrophobicContact CB-CB 4.47Å; T1262-A1266 PolarHBondContact O-N 2.94Å; K1264-A1266 VanDerWaalsContact C-N 3.32Å; A1266-F1268 PolarHBondContact O-N 3.07Å; A1266-L1269 PolarHBondContact O-N 3.26Å; A1266-K1270 PolarHBondContact O-N 2.71Å; A1266-I1281 HydrophobicContact CB-CB 4.17Å; A1266-I1281 HydrophobicContact CB-CG2 3.52Å
1267K81.2Confident77.2Confident133 Ų13363.9 Ų63.958%0.57832%0.321SS*.Hα-helixtrans-61.1-35.3174.9-76.7178.5-174.4167.30112.2E1263 K1264 K1271E1263-K1267 WeakPolarHBondContact O-CB 3.38Å; E1263-K1267 WeakPolarHBondContact O-CG 3.39Å; E1263-K1267 PolarHBondContact O-N 3.47Å; E1263-K1267 VanDerWaalsContact OE1-CE 3.28Å; E1263-K1267 WeakPolarHBondContact OE1-CE 3.37Å; E1263-K1267 IonicContact OE1-NZ 3.7Å; E1263-K1267 PolarHBondContact OE1-NZ 2.96Å; K1264-K1267 PolarHBondContact O-N 3.23Å; K1267-K1271 PolarHBondContact O-N 3.45Å; K1267-K1271 VanDerWaalsContact O-N 3.17Å
1268F83Confident75.3Confident64 Ų6466 Ų6628%0.28135%0.345SS..Hα-helixtrans-66.7-48.5177.3-169.3-99.4000111.6A1239 K1264 T1265 A1266 K1270 K1271 Y1272A1239-F1268 HydrophobicContact CB-CD1 4.33Å; A1239-F1268 HydrophobicContact CB-CE1 3.92Å; K1264-F1268 WeakPolarHBondContact O-CB 3.13Å; K1264-F1268 PolarHBondContact O-N 3.19Å; T1265-F1268 WeakPolarHBondContact O-CB 3.31Å; T1265-F1268 PolarHBondContact O-N 2.66Å; A1266-F1268 PolarHBondContact O-N 3.07Å; F1268-K1270 VanDerWaalsContact C-N 3.34Å; F1268-K1270 PolarHBondContact O-N 3.31Å; F1268-K1271 WeakPolarHBondContact O-CB 3.22Å; F1268-K1271 PolarHBondContact O-N 3.46Å; F1268-K1271 VanDerWaalsContact O-N 3.17Å; F1268-Y1272 HydrophobicContact CD1-CD2 4.24Å; F1268-Y1272 HydrophobicContact CD1-CE2 4.4Å; F1268-Y1272 HydrophobicContact CD2-CE2 4.38Å; F1268-Y1272 AromaticContact CE1-CD2 3.91Å; F1268-Y1272 HydrophobicContact CE1-CD2 3.91Å; F1268-Y1272 AromaticContact CE1-CE2 3.74Å; F1268-Y1272 HydrophobicContact CE1-CE2 3.74Å; F1268-Y1272 HydrophobicContact CE2-CD2 4.38Å; F1268-Y1272 AromaticContact CE2-CE2 3.72Å; F1268-Y1272 HydrophobicContact CE2-CE2 3.72Å; F1268-Y1272 AromaticContact CZ-CD2 4Å; F1268-Y1272 HydrophobicContact CZ-CD2 4Å; F1268-Y1272 AromaticContact CZ-CE2 3.36Å; F1268-Y1272 HydrophobicContact CZ-CE2 3.36Å; F1268-Y1272 WeakPolarHBondContact O-CD2 3.35Å; F1268-Y1272 PolarHBondContact O-N 2.54Å
1269L83.7Confident73.4Confident0 Ų073 Ų730%038%0.383CS..Hα-helixtrans-59.1-42.6175.4-75169.1000112.2M1234 A1239 F1242 F1261 T1265 A1266 K1271 Y1272 G1273 V1274M1234-L1269 HydrophobicContact CE-CD2 4.36Å; M1234-L1269 HydrophobicContact SD-CD2 3.58Å; M1234-L1269 VanDerWaalsContact SD-CD2 3.58Å; M1234-L1269 HydrophobicContact SD-CG 4.22Å; A1239-L1269 HydrophobicContact CB-CD2 4.33Å; F1242-L1269 HydrophobicContact CD1-CD2 3.89Å; F1242-L1269 HydrophobicContact CE1-CD1 4.32Å; F1242-L1269 HydrophobicContact CE1-CD2 4.34Å; F1261-L1269 HydrophobicContact CD1-CD1 4.17Å; F1261-L1269 HydrophobicContact CE1-CD1 4.07Å; T1265-L1269 WeakPolarHBondContact O-CG 3.44Å; T1265-L1269 PolarHBondContact O-N 3.04Å; A1266-L1269 PolarHBondContact O-N 3.26Å; L1269-K1271 VanDerWaalsContact C-N 3.29Å; L1269-K1271 PolarHBondContact O-N 2.97Å; L1269-Y1272 CarbonylContact O-C 3.53Å; L1269-Y1272 PolarHBondContact O-N 2.88Å; L1269-G1273 PolarHBondContact O-N 3.48Å; L1269-V1274 HydrophobicContact CB-CB 4.38Å; L1269-V1274 HydrophobicContact CB-CG2 4.38Å; L1269-V1274 HydrophobicContact CD2-CG2 4.02Å; L1269-V1274 PolarHBondContact O-N 3.38Å
1270K80.2Confident72.1Confident114 Ų11473.6 Ų73.650%0.49639%0.387SS..Hα-helixtrans-59.7-39176.6-170.6169.3-177.5167.60112.1A1266 F1268 Y1272 G1273 E1276A1266-K1270 PolarHBondContact O-N 2.71Å; F1268-K1270 VanDerWaalsContact C-N 3.34Å; F1268-K1270 PolarHBondContact O-N 3.31Å; K1270-Y1272 VanDerWaalsContact C-N 3.28Å; K1270-Y1272 PolarHBondContact O-N 2.94Å; K1270-G1273 PolarHBondContact O-N 3.28Å; K1270-E1276 WeakPolarHBondContact CE-OE1 3.39Å; K1270-E1276 IonicContact NZ-OE1 3.53Å; K1270-E1276 PolarHBondContact NZ-OE1 3.18Å; K1270-E1276 IonicContact NZ-OE2 3.58Å
1271K81.5Confident71.1Confident181 Ų18173.2 Ų73.279%0.78738%0.382SS*.Hα-helixtrans-65.9-30176.6-170.8178.7177.9-176.20112.8K1267 F1268 L1269 G1273K1267-K1271 PolarHBondContact O-N 3.45Å; K1267-K1271 VanDerWaalsContact O-N 3.17Å; F1268-K1271 WeakPolarHBondContact O-CB 3.22Å; F1268-K1271 PolarHBondContact O-N 3.46Å; F1268-K1271 VanDerWaalsContact O-N 3.17Å; L1269-K1271 VanDerWaalsContact C-N 3.29Å; L1269-K1271 PolarHBondContact O-N 2.97Å; K1271-G1273 VanDerWaalsContact C-N 3.29Å
1272Y77.4Confident69.9Low80 Ų8076.2 Ų76.231%0.31440%0.403SS..THydrogen-bonded Turntrans-88.69.7178.1-84.4-93.5000113.7A1236 A1239 F1268 L1269 K1270A1236-Y1272 HydrophobicContact CB-CE1 4.05Å; A1236-Y1272 VanDerWaalsContact CB-OH 3.22Å; A1236-Y1272 WeakPolarHBondContact CB-OH 3.13Å; A1239-Y1272 HydrophobicContact CB-CG 4.3Å; F1268-Y1272 HydrophobicContact CD1-CD2 4.24Å; F1268-Y1272 HydrophobicContact CD1-CE2 4.4Å; F1268-Y1272 HydrophobicContact CD2-CE2 4.38Å; F1268-Y1272 AromaticContact CE1-CD2 3.91Å; F1268-Y1272 HydrophobicContact CE1-CD2 3.91Å; F1268-Y1272 AromaticContact CE1-CE2 3.74Å; F1268-Y1272 HydrophobicContact CE1-CE2 3.74Å; F1268-Y1272 HydrophobicContact CE2-CD2 4.38Å; F1268-Y1272 AromaticContact CE2-CE2 3.72Å; F1268-Y1272 HydrophobicContact CE2-CE2 3.72Å; F1268-Y1272 AromaticContact CZ-CD2 4Å; F1268-Y1272 HydrophobicContact CZ-CD2 4Å; F1268-Y1272 AromaticContact CZ-CE2 3.36Å; F1268-Y1272 HydrophobicContact CZ-CE2 3.36Å; F1268-Y1272 WeakPolarHBondContact O-CD2 3.35Å; F1268-Y1272 PolarHBondContact O-N 2.54Å; L1269-Y1272 CarbonylContact O-C 3.53Å; L1269-Y1272 PolarHBondContact O-N 2.88Å; K1270-Y1272 VanDerWaalsContact C-N 3.28Å; K1270-Y1272 PolarHBondContact O-N 2.94Å
1273G72.6Confident69.4Low47 Ų4775 Ų7549%0.48540%0.395SS..THydrogen-bonded Turntrans77.128171.600000114.3L1269 K1270 K1271 P1275L1269-G1273 PolarHBondContact O-N 3.48Å; K1270-G1273 PolarHBondContact O-N 3.28Å; K1271-G1273 VanDerWaalsContact C-N 3.29Å; G1273-P1275 WeakPolarHBondContact O-CD 2.91Å
1274V70.9Confident69.1Low8 Ų872.2 Ų72.25%0.04839%0.389CS..  trans-74.9113.9163.8-179.30000107.6R1243 L1246 L1258 L1269R1243-V1274 HydrophobicContact CB-CG2 3.95Å; R1243-V1274 HydrophobicContact CG-CG2 4.12Å; L1246-V1274 HydrophobicContact CD1-CG1 3.63Å; L1258-V1274 HydrophobicContact CD1-CG1 4.22Å; L1269-V1274 HydrophobicContact CB-CB 4.38Å; L1269-V1274 HydrophobicContact CB-CG2 4.38Å; L1269-V1274 HydrophobicContact CD2-CG2 4.02Å; L1269-V1274 PolarHBondContact O-N 3.38Å
1275P58Low68.8Low78 Ų7866 Ų6651%0.50636%0.363SS..  trans-69.8150-169.526.6-32.6000112.6G1273 T1277G1273-P1275 WeakPolarHBondContact O-CD 2.91Å; P1275-T1277 PolarHBondContact O-N 3.36Å
1276E54.3Low68.3Low108 Ų10872.8 Ų72.851%0.50540%0.395SS..  trans-74.499173.8-74.2178.4155.900109.8K1270 G1278K1270-E1276 WeakPolarHBondContact CE-OE1 3.39Å; K1270-E1276 IonicContact NZ-OE1 3.53Å; K1270-E1276 PolarHBondContact NZ-OE1 3.18Å; K1270-E1276 IonicContact NZ-OE2 3.58Å; E1276-G1278 PolarHBondContact O-N 3.39Å
1277T48.8Very low68Low79 Ų7974.3 Ų74.349%0.48541%0.405SS..SBendtrans-77.369.5157.843.90000108.8P1275P1275-T1277 PolarHBondContact O-N 3.36Å
1278G42.4Very low67.7Low53 Ų5368.1 Ų68.155%0.54638%0.378SS..SBendtrans65.897.8172.700000116E1276 S1280E1276-G1278 PolarHBondContact O-N 3.39Å; G1278-S1280 WeakPolarHBondContact O-CA 3.17Å; G1278-S1280 WeakPolarHBondContact O-CB 3.27Å; G1278-S1280 PolarHBondContact O-N 2.88Å; G1278-S1280 PolarHBondContact O-OG 3.4Å
1279D45.6Very low67.2Low156 Ų15667.1 Ų67.183%0.83438%0.375SS*.SBendtrans44.65.2163.6-72.9-14.8000120.6
1280S54.3Low66.7Low12 Ų1272.6 Ų72.68%0.08440%0.401CS..  trans-121.324.6-152.279.90000118.1G1278 C1282 V1283G1278-S1280 WeakPolarHBondContact O-CA 3.17Å; G1278-S1280 WeakPolarHBondContact O-CB 3.27Å; G1278-S1280 PolarHBondContact O-N 2.88Å; G1278-S1280 PolarHBondContact O-OG 3.4Å; S1280-C1282 VanDerWaalsContact C-N 3.26Å; S1280-C1282 PolarHBondContact O-N 2.65Å; S1280-V1283 WeakPolarHBondContact O-CG2 3.4Å
1281I63.3Low66.4Low25 Ų2570.3 Ų70.313%0.12839%0.393CS..THydrogen-bonded Turntrans-69.1-27.2179.9-59.6168.1000112.1L1258 F1261 A1266L1258-I1281 HydrophobicContact CB-CG2 4.47Å; L1258-I1281 HydrophobicContact CD1-CG1 4.29Å; F1261-I1281 HydrophobicContact CB-CG2 3.81Å; F1261-I1281 HydrophobicContact CD2-CG2 4.04Å; F1261-I1281 HydrophobicContact CG-CG2 4.06Å; F1261-I1281 PolarHBondContact N-O 3.17Å; A1266-I1281 HydrophobicContact CB-CB 4.17Å; A1266-I1281 HydrophobicContact CB-CG2 3.52Å
1282C60.4Low65.9Low69 Ų6961.7 Ų61.747%0.46636%0.355SS..THydrogen-bonded Turntrans-105.96.1-175.3-67.90000114.6F1261 S1280F1261-C1282 PolarHBondContact O-SG 3.14Å; F1261-C1282 VanDerWaalsContact O-SG 3.33Å; S1280-C1282 VanDerWaalsContact C-N 3.26Å; S1280-C1282 PolarHBondContact O-N 2.65Å
1283V73.4Confident65.6Low41 Ų4162 Ų6225%0.24836%0.358CS..SBendtrans-75.7145.1-176.3-133.70000109.8S1260 S1280 S1287S1260-V1283 PolarHBondContact N-O 3.22Å; S1280-V1283 WeakPolarHBondContact O-CG2 3.4Å; V1283-S1287 VanDerWaalsContact CG1-CB 3.48Å
1284P75.2Confident65.5Low71 Ų7166.3 Ų66.346%0.46136%0.364SS..  trans-54.4148.1171.3-25.734.7000111.5E1286 S1287 A1288P1284-E1286 PolarHBondContact O-N 2.94Å; P1284-S1287 PolarHBondContact O-N 3.24Å; P1284-A1288 PolarHBondContact O-N 3.03Å
1285I75.3Confident65.3Low50 Ų5071.1 Ų71.126%0.25639%0.387SS..Hα-helixtrans-54.2-29.5-179-154.5167.5000113.1T1164 I1225 D1227 A1259 A1288 M1289T1164-I1285 HydrophobicContact CG2-CD1 3.71Å; T1164-I1285 HydrophobicContact CG2-CG1 4.07Å; I1225-I1285 HydrophobicContact CG2-CG1 4.32Å; D1227-I1285 HydrophobicContact CB-CD1 3.85Å; A1259-I1285 HydrophobicContact CB-CG1 4.44Å; I1285-A1288 PolarHBondContact O-N 3.37Å; I1285-M1289 WeakPolarHBondContact O-CG 3.25Å; I1285-M1289 PolarHBondContact O-N 2.98Å
1286E71.3Confident65.5Low151 Ų15170.7 Ų70.771%0.70638%0.379SS*.Hα-helixtrans-64.1-44177.6-67.4159.6175.700111.8P1284 M1289 E1290P1284-E1286 PolarHBondContact O-N 2.94Å; E1286-M1289 WeakPolarHBondContact O-CB 3.31Å; E1286-M1289 PolarHBondContact O-N 2.92Å; E1286-E1290 PolarHBondContact O-N 3.28Å
1287S76.5Confident65.5Low41 Ų4175.9 Ų75.929%0.28740%0.403SS..Hα-helixtrans-70.1-37.1175.9-55.90000111.6V1283 P1284 M1289 E1290 I1291V1283-S1287 VanDerWaalsContact CG1-CB 3.48Å; P1284-S1287 PolarHBondContact O-N 3.24Å; S1287-M1289 VanDerWaalsContact C-N 3.31Å; S1287-M1289 PolarHBondContact O-N 2.7Å; S1287-E1290 PolarHBondContact O-N 3.18Å; S1287-E1290 VanDerWaalsContact O-N 3.14Å; S1287-I1291 VanDerWaalsContact O-CG1 3.31Å; S1287-I1291 WeakPolarHBondContact O-CG1 3.18Å; S1287-I1291 PolarHBondContact O-N 3.07Å
1288A74Confident66.3Low2 Ų275.8 Ų75.82%0.01740%0.399CS..Hα-helixtrans-61.6-40173.500000111.7I1225 I1257 A1259 P1284 I1285 E1290 I1291 A1292I1225-A1288 HydrophobicContact CG2-CB 4.25Å; I1257-A1288 HydrophobicContact CG2-CB 3.81Å; A1259-A1288 HydrophobicContact CB-CB 3.85Å; P1284-A1288 PolarHBondContact O-N 3.03Å; I1285-A1288 PolarHBondContact O-N 3.37Å; A1288-E1290 VanDerWaalsContact C-N 3.34Å; A1288-I1291 PolarHBondContact O-N 3.01Å; A1288-A1292 PolarHBondContact O-N 2.83Å
1289M72.2Confident67.6Low44 Ų4476.9 Ų76.922%0.21739%0.391CS..Hα-helixtrans-64.7-37.4172.2-77.6-168.7175.600112.7H1123 T1164 I1225 I1285 E1286 S1287 A1292 K1293H1123-M1289 VanDerWaalsContact CD2-CE 3.46Å; H1123-M1289 WeakPolarHBondContact CD2-CE 3.14Å; H1123-M1289 WeakPolarHBondContact NE2-CE 3.28Å; T1164-M1289 HydrophobicContact CG2-CE 4.21Å; I1225-M1289 HydrophobicContact CD1-CG 3.93Å; I1285-M1289 WeakPolarHBondContact O-CG 3.25Å; I1285-M1289 PolarHBondContact O-N 2.98Å; E1286-M1289 WeakPolarHBondContact O-CB 3.31Å; E1286-M1289 PolarHBondContact O-N 2.92Å; S1287-M1289 VanDerWaalsContact C-N 3.31Å; S1287-M1289 PolarHBondContact O-N 2.7Å; M1289-A1292 PolarHBondContact O-N 3Å; M1289-K1293 WeakPolarHBondContact O-CG 3.41Å; M1289-K1293 PolarHBondContact O-N 3.19Å
1290E72.6Confident68.8Low115 Ų11572.6 Ų72.654%0.53737%0.366SS..Hα-helixtrans-68.8-37.9178.2-155.7175.2-16400112.1E1286 S1287 A1288 K1293 K1294E1286-E1290 PolarHBondContact O-N 3.28Å; S1287-E1290 PolarHBondContact O-N 3.18Å; S1287-E1290 VanDerWaalsContact O-N 3.14Å; A1288-E1290 VanDerWaalsContact C-N 3.34Å; E1290-K1293 PolarHBondContact O-N 2.82Å; E1290-K1294 PolarHBondContact O-N 3.46Å
1291I74.3Confident69.7Low65 Ų6576.1 Ų76.133%0.33338%0.383SS..Hα-helixtrans-62.4-46.1171.3-66.4164.3000110.3I1257 S1287 A1288 K1293 K1294 M1295I1257-I1291 HydrophobicContact CD1-CG2 4.28Å; S1287-I1291 VanDerWaalsContact O-CG1 3.31Å; S1287-I1291 WeakPolarHBondContact O-CG1 3.18Å; S1287-I1291 PolarHBondContact O-N 3.07Å; A1288-I1291 PolarHBondContact O-N 3.01Å; I1291-K1293 VanDerWaalsContact C-N 3.3Å; I1291-K1293 PolarHBondContact O-N 3.25Å; I1291-K1294 PolarHBondContact O-N 3.3Å; I1291-K1294 VanDerWaalsContact O-N 3.14Å; I1291-M1295 PolarHBondContact O-N 2.93Å
1292A71.5Confident70.1Confident0 Ų079.3 Ų79.30%040%0.399CS..Hα-helixtrans-60.4-39.8176.500000112.2I1162 V1223 I1225 I1257 A1288 M1289 M1295 Q1296I1162-A1292 HydrophobicContact CD1-CB 3.83Å; I1162-A1292 HydrophobicContact CG1-CB 4.36Å; V1223-A1292 HydrophobicContact CG1-CB 3.9Å; I1225-A1292 HydrophobicContact CD1-CB 4.36Å; I1257-A1292 HydrophobicContact CD1-CB 3.99Å; A1288-A1292 PolarHBondContact O-N 2.83Å; M1289-A1292 PolarHBondContact O-N 3Å; A1292-M1295 PolarHBondContact O-N 2.92Å; A1292-Q1296 PolarHBondContact O-N 3.33Å
1293K70Confident70.7Confident87 Ų8780 Ų8038%0.37839%0.394SS..Hα-helixtrans-64.8-40.9173.4-74.9178.1-177.6174.20112.5L1125 M1289 E1290 I1291 M1295 Q1296 Q1297L1125-K1293 HydrophobicContact CD1-CD 4.29Å; L1125-K1293 HydrophobicContact CD1-CG 3.71Å; L1125-K1293 HydrophobicContact CD2-CD 4.05Å; L1125-K1293 HydrophobicContact CD2-CG 3.74Å; L1125-K1293 HydrophobicContact CG-CG 4.38Å; M1289-K1293 WeakPolarHBondContact O-CG 3.41Å; M1289-K1293 PolarHBondContact O-N 3.19Å; E1290-K1293 PolarHBondContact O-N 2.82Å; I1291-K1293 VanDerWaalsContact C-N 3.3Å; I1291-K1293 PolarHBondContact O-N 3.25Å; K1293-M1295 VanDerWaalsContact C-N 3.33Å; K1293-Q1296 VanDerWaalsContact O-CB 3.28Å; K1293-Q1296 WeakPolarHBondContact O-CB 3.41Å; K1293-Q1296 PolarHBondContact O-N 3.22Å; K1293-Q1297 PolarHBondContact O-N 3.33Å
1294K71.7Confident70.5Confident137 Ų13782.8 Ų82.860%0.59641%0.405SS*.Hα-helixtrans-66.8-32.8176.1-79.5-177.4178.7176.60112.7E1290 I1291 Q1296 Q1297E1290-K1294 PolarHBondContact O-N 3.46Å; I1291-K1294 PolarHBondContact O-N 3.3Å; I1291-K1294 VanDerWaalsContact O-N 3.14Å; K1294-Q1296 PolarHBondContact O-N 3.36Å; K1294-Q1297 PolarHBondContact O-N 3.44Å; K1294-Q1297 VanDerWaalsContact O-OXT 3.05Å
1295M66.5Low70.2Confident109 Ų10983.7 Ų83.754%0.53740%0.4SS..Hα-helixtrans-68.7-18.1173-76.9-176162.100113.4T1255 I1291 A1292 K1293T1255-M1295 HydrophobicContact CG2-SD 4.24Å; I1291-M1295 PolarHBondContact O-N 2.93Å; A1292-M1295 PolarHBondContact O-N 2.92Å; K1293-M1295 VanDerWaalsContact C-N 3.33Å
1296Q62.1Low69.8Low70 Ų7086.5 Ų86.533%0.32741%0.412SS..Hα-helixtrans-79.9-33.1173.4-170.5173.6-1.400112.7L1160 A1292 K1293 K1294L1160-Q1296 HydrophobicContact CB-CB 4.24Å; L1160-Q1296 HydrophobicContact CB-CG 3.71Å; L1160-Q1296 HydrophobicContact CD2-CB 3.84Å; L1160-Q1296 HydrophobicContact CD2-CG 4.27Å; L1160-Q1296 HydrophobicContact CG-CB 4.48Å; L1160-Q1296 HydrophobicContact CG-CG 4.46Å; A1292-Q1296 PolarHBondContact O-N 3.33Å; K1293-Q1296 VanDerWaalsContact O-CB 3.28Å; K1293-Q1296 WeakPolarHBondContact O-CB 3.41Å; K1293-Q1296 PolarHBondContact O-N 3.22Å; K1294-Q1296 PolarHBondContact O-N 3.36Å
1297Q54.4Low69.6Low217 Ų21780.6 Ų80.6100%1.01439%0.386SS*.  trans-76.90176.5-69.6-176.7-22.600110.2K1293 K1294K1293-Q1297 PolarHBondContact O-N 3.33Å; K1294-Q1297 PolarHBondContact O-N 3.44Å; K1294-Q1297 VanDerWaalsContact O-OXT 3.05Å

Retrieved 1,297 of 1,297 residues in 665.6 ms (Link to these results)

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