A0A087XFV7_POEFO Loading...

BEN domain-containing protein 5

AlphaFold DB , UniProt , Accession A0A087XFV7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 456 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
1M85.9Confident83.6Confident72 Ų7247.7 Ų47.736%0.35523%0.225SC..  0138.60-171.6177.4-78.600108V18 P26 R29 L60 A61 D62M1-V18 HydrophobicContact CB-CG2 4.08Å; M1-V18 HydrophobicContact CG-CG2 3.97Å; M1-V18 WeakPolarHBondContact O-CG2 3.37Å; M1-V18 PolarHBondContact O-N 3.19Å; M1-V18 VanDerWaalsContact O-N 3.16Å; M1-V18 HydrophobicContact SD-CG2 4.44Å; M1-P26 HydrophobicContact SD-CB 4.21Å; M1-P26 HydrophobicContact SD-CG 3.91Å; M1-R29 HydrophobicContact CE-CG 4.49Å; M1-L60 HydrophobicContact SD-CB 4.21Å; M1-L60 HydrophobicContact SD-CD1 4.17Å; M1-A61 WeakPolarHBondContact CA-O 3.43Å; M1-A61 VanDerWaalsContact CG-O 3.29Å; M1-A61 WeakPolarHBondContact CG-O 3.46Å; M1-D62 WeakPolarHBondContact CE-OD1 3.4Å
2Y88.3Confident83Confident61 Ų6150.3 Ų50.324%0.23924%0.239CC..EExtended strand (participates in β ladder)trans-114.8150.5179.1-67.2-96.8000109.8L16 P17 L60 A61 V64 F67Y2-L16 CarbonylContact C-O 3.52Å; Y2-L16 WeakPolarHBondContact CA-O 3.47Å; Y2-P17 HydrophobicContact CD1-CB 4.47Å; Y2-P17 HydrophobicContact CD1-CG 4.18Å; Y2-P17 HydrophobicContact CE1-CB 4.42Å; Y2-P17 HydrophobicContact CE1-CG 3.85Å; Y2-L60 WeakPolarHBondContact O-CA 3.4Å; Y2-A61 PolarHBondContact N-O 3.07Å; Y2-A61 PolarHBondContact O-N 2.89Å; Y2-V64 HydrophobicContact CD1-CG2 3.49Å; Y2-V64 VanDerWaalsContact CD1-CG2 3.49Å; Y2-V64 HydrophobicContact CD2-CG2 3.84Å; Y2-V64 HydrophobicContact CE1-CG2 3.68Å; Y2-V64 HydrophobicContact CE2-CG2 4.02Å; Y2-V64 HydrophobicContact CG-CG2 3.58Å; Y2-F67 WeakPolarHBondContact O-CZ 3.43Å
3A88.9Confident82.9Confident0 Ų047.6 Ų47.60%023%0.228CC..EExtended strand (participates in β ladder)trans-114.5131.7173.800000109.4V5 L16 V18 I21 I57 A59 L60A3-V5 HydrophobicContact CB-CG1 4.02Å; A3-L16 PolarHBondContact N-O 3.26Å; A3-L16 PolarHBondContact O-N 2.87Å; A3-V18 HydrophobicContact CB-CG2 4.2Å; A3-I21 HydrophobicContact CB-CD1 3.55Å; A3-I57 HydrophobicContact CB-CG2 4.32Å; A3-A59 WeakPolarHBondContact CA-O 3.49Å; A3-L60 HydrophobicContact CB-CD2 3.59Å
4F87.3Confident82.8Confident2 Ų246.8 Ų46.81%0.00922%0.222CC..EExtended strand (participates in β ladder)trans-88110.6166.9-168.4-110.9000108.3C13 Y14 A15 L58 A59 F67 I71 M76 I442F4-C13 HydrophobicContact CE1-CB 3.71Å; F4-C13 HydrophobicContact CE2-CB 3.97Å; F4-C13 HydrophobicContact CZ-CB 3.32Å; F4-Y14 CarbonylContact C-O 3.58Å; F4-Y14 WeakPolarHBondContact CA-O 3.35Å; F4-Y14 WeakPolarHBondContact CD2-O 3.47Å; F4-A15 HydrophobicContact CD2-CB 4.29Å; F4-L58 HydrophobicContact CD1-CB 3.89Å; F4-L58 HydrophobicContact CD1-CD1 3.72Å; F4-L58 HydrophobicContact CD1-CG 4.35Å; F4-L58 HydrophobicContact CE1-CD1 3.75Å; F4-L58 WeakPolarHBondContact O-CB 3.48Å; F4-L58 PolarHBondContact O-N 3.35Å; F4-A59 HydrophobicContact CB-CB 4.38Å; F4-A59 PolarHBondContact N-O 2.73Å; F4-A59 PolarHBondContact O-N 3.24Å; F4-F67 HydrophobicContact CB-CD1 4.09Å; F4-F67 HydrophobicContact CB-CE1 3.86Å; F4-F67 HydrophobicContact CB-CE2 4.29Å; F4-F67 HydrophobicContact CB-CG 4.42Å; F4-F67 HydrophobicContact CB-CZ 3.95Å; F4-I71 HydrophobicContact CE2-CD1 4.44Å; F4-I71 HydrophobicContact CZ-CD1 4.26Å; F4-M76 HydrophobicContact CB-CE 3.94Å; F4-M76 HydrophobicContact CD1-CE 2.97Å; F4-M76 HydrophobicContact CD2-CE 4.36Å; F4-M76 HydrophobicContact CE1-CE 3.38Å; F4-M76 HydrophobicContact CG-CE 3.51Å; F4-M76 HydrophobicContact CZ-CE 4.23Å; F4-I442 HydrophobicContact CD2-CD1 4.24Å; F4-I442 HydrophobicContact CD2-CG1 4.35Å; F4-I442 HydrophobicContact CE2-CD1 3.5Å; F4-I442 HydrophobicContact CE2-CG1 3.65Å; F4-I442 HydrophobicContact CZ-CD1 4.17Å
5V87.4Confident83Confident0 Ų043.7 Ų43.70%021%0.207CC..EExtended strand (participates in β ladder)trans-112.4153-174.5-58.30000110.8A3 F7 C13 Y14 L16 I21 A55 Q56 I57A3-V5 HydrophobicContact CB-CG1 4.02Å; V5-F7 HydrophobicContact CG2-CD2 4.46Å; V5-F7 HydrophobicContact CG2-CE2 3.88Å; V5-F7 HydrophobicContact CG2-CZ 4.25Å; V5-C13 CarbonylContact O-C 3.49Å; V5-C13 WeakPolarHBondContact O-CA 3.43Å; V5-Y14 PolarHBondContact N-O 3.24Å; V5-Y14 PolarHBondContact O-N 3.37Å; V5-L16 HydrophobicContact CG2-CD1 3.8Å; V5-L16 HydrophobicContact CG2-CG 4.3Å; V5-I21 HydrophobicContact CG1-CD1 3.9Å; V5-A55 HydrophobicContact CB-CB 4.22Å; V5-Q56 CarbonylContact C-O 3.49Å; V5-Q56 VanDerWaalsContact CA-O 3.29Å; V5-Q56 WeakPolarHBondContact CA-O 3.43Å; V5-I57 HydrophobicContact CG1-CG1 4.12Å
6R85.4Confident83.1Confident27 Ų2741.8 Ų41.810%0.10220%0.199CC..EExtended strand (participates in β ladder)trans-123.2120.8170.8-179.1178.1-175.9-174.91.1109.6D11 M12 C13 A55 Q56 L58 P79R6-D11 IonicContact CZ-OD1 3.75Å; R6-D11 IonicContact CZ-OD2 3.98Å; R6-D11 IonicContact NE-OD1 3.89Å; R6-D11 PolarHBondContact NE-OD1 3.46Å; R6-D11 IonicContact NE-OD2 3.85Å; R6-D11 IonicContact NH2-OD1 3.81Å; R6-D11 PolarHBondContact NH2-OD1 3.01Å; R6-D11 IonicContact NH2-OD2 3.53Å; R6-D11 PolarHBondContact NH2-OD2 3.41Å; R6-M12 CarbonylContact C-O 3.55Å; R6-M12 VanDerWaalsContact CA-O 3.32Å; R6-M12 WeakPolarHBondContact CA-O 3.49Å; R6-C13 VanDerWaalsContact CG-SG 3.59Å; R6-A55 CarbonylContact O-C 3.6Å; R6-A55 WeakPolarHBondContact O-CA 3.39Å; R6-A55 WeakPolarHBondContact O-CB 3.31Å; R6-Q56 PolarHBondContact N-O 3.25Å; R6-Q56 PolarHBondContact O-N 3.47Å; R6-L58 HydrophobicContact CB-CD1 3.92Å; R6-L58 HydrophobicContact CB-CG 4.3Å; R6-P79 PolarHBondContact NH1-O 2.93Å
7F85.5Confident83.3Confident3 Ų340.6 Ų40.61%0.01320%0.195CC..EExtended strand (participates in β ladder)trans-79.1147.2179.8-70-88.9000111.3V5 D10 D11 M12 Y14 L16 V40 R42 C53 A55V5-F7 HydrophobicContact CG2-CD2 4.46Å; V5-F7 HydrophobicContact CG2-CE2 3.88Å; V5-F7 HydrophobicContact CG2-CZ 4.25Å; F7-D10 WeakPolarHBondContact CB-OD1 3.47Å; F7-D11 VanDerWaalsContact O-CA 3.3Å; F7-D11 WeakPolarHBondContact O-CA 3.49Å; F7-D11 PolarHBondContact O-N 3.2Å; F7-M12 PolarHBondContact N-O 3.03Å; F7-Y14 AromaticContact CD2-CD2 3.36Å; F7-Y14 HydrophobicContact CD2-CD2 3.36Å; F7-Y14 AromaticContact CD2-CE2 3.59Å; F7-Y14 HydrophobicContact CD2-CE2 3.59Å; F7-Y14 AromaticContact CE2-CD2 3.34Å; F7-Y14 HydrophobicContact CE2-CD2 3.34Å; F7-Y14 AromaticContact CE2-CE2 3.85Å; F7-Y14 HydrophobicContact CE2-CE2 3.85Å; F7-Y14 HydrophobicContact CE2-CG 4.18Å; F7-L16 HydrophobicContact CE2-CD1 4.21Å; F7-L16 HydrophobicContact CZ-CD1 3.98Å; F7-V40 HydrophobicContact CE1-CB 3.92Å; F7-V40 HydrophobicContact CE1-CG1 4.24Å; F7-V40 HydrophobicContact CZ-CB 4.14Å; F7-V40 HydrophobicContact CZ-CG1 3.96Å; F7-R42 VanDerWaalsContact CB-NH2 3.29Å; F7-R42 HydrophobicContact CE1-CG 4.05Å; F7-R42 HydrophobicContact CZ-CG 3.82Å; F7-C53 HydrophobicContact CD1-CB 3.55Å; F7-C53 HydrophobicContact CE1-CB 3.62Å; F7-A55 HydrophobicContact CD1-CB 3.76Å; F7-A55 HydrophobicContact CE1-CB 4.03Å; F7-A55 HydrophobicContact CG-CB 4.11Å
8F82.1Confident83.5Confident83 Ų8339.3 Ų39.336%0.36419%0.19SC..THydrogen-bonded Turntrans-78.6-25.5179.9-78.5-89.2000113.3V37 E54 Q56 M81F8-V37 HydrophobicContact CD2-CG1 4.35Å; F8-V37 HydrophobicContact CE2-CB 4.33Å; F8-V37 HydrophobicContact CE2-CG1 3.89Å; F8-V37 HydrophobicContact CE2-CG2 3.8Å; F8-V37 HydrophobicContact CZ-CG2 3.77Å; F8-E54 HydrophobicContact CB-CB 4.45Å; F8-E54 HydrophobicContact CD2-CB 3.92Å; F8-E54 WeakPolarHBondContact CD2-O 3.34Å; F8-E54 PolarHBondContact N-O 3.05Å; F8-Q56 HydrophobicContact CE2-CB 4.2Å; F8-Q56 HydrophobicContact CZ-CB 4.38Å; F8-M81 HydrophobicContact CD1-CE 4.04Å; F8-M81 HydrophobicContact CE1-CE 3.25Å; F8-M81 HydrophobicContact CZ-CE 3.77Å
9E79.1Confident83.6Confident130 Ų13043 Ų4361%0.60722%0.22SC*.THydrogen-bonded Turntrans-69.3-46.7-174.3-69.2165.3-164.500112.7C53E9-C53 PolarHBondContact OE1-SG 3.03Å
10D75.6Confident83.7Confident61 Ų6141.8 Ų41.833%0.32622%0.215SC..THydrogen-bonded Turntrans-120-0.4-171.85414.3000113.1F7 M12 R42F7-D10 WeakPolarHBondContact CB-OD1 3.47Å; D10-M12 HydrophobicContact CB-CB 4.42Å; D10-M12 HydrophobicContact CB-CG 3.85Å; D10-M12 PolarHBondContact O-N 3.16Å; D10-M12 VanDerWaalsContact O-N 3.14Å; D10-M12 WeakPolarHBondContact OD1-CB 3.48Å; D10-M12 PolarHBondContact OD1-N 3.31Å; D10-R42 IonicContact OD1-NH2 3Å; D10-R42 PolarHBondContact OD1-NH2 2.82Å; D10-R42 IonicContact OD2-CZ 3.43Å; D10-R42 IonicContact OD2-NH1 3.06Å; D10-R42 PolarHBondContact OD2-NH1 3.4Å; D10-R42 IonicContact OD2-NH2 3.43Å; D10-R42 PolarHBondContact OD2-NH2 3.07Å
11D73.9Confident83.9Confident86 Ų8640.1 Ų40.146%0.4621%0.206SC..  trans61.313.5-175.3-152.944.5000113.9R6 F7R6-D11 IonicContact CZ-OD1 3.75Å; R6-D11 IonicContact CZ-OD2 3.98Å; R6-D11 IonicContact NE-OD1 3.89Å; R6-D11 PolarHBondContact NE-OD1 3.46Å; R6-D11 IonicContact NE-OD2 3.85Å; R6-D11 IonicContact NH2-OD1 3.81Å; R6-D11 PolarHBondContact NH2-OD1 3.01Å; R6-D11 IonicContact NH2-OD2 3.53Å; R6-D11 PolarHBondContact NH2-OD2 3.41Å; F7-D11 VanDerWaalsContact O-CA 3.3Å; F7-D11 WeakPolarHBondContact O-CA 3.49Å; F7-D11 PolarHBondContact O-N 3.2Å
12M76.8Confident83.9Confident79 Ų7940.2 Ų40.239%0.38921%0.206SC..  trans-84.8146.4-174.7-65.3-66-94.400111.4R6 F7 D10 Y14 L441R6-M12 CarbonylContact C-O 3.55Å; R6-M12 VanDerWaalsContact CA-O 3.32Å; R6-M12 WeakPolarHBondContact CA-O 3.49Å; F7-M12 PolarHBondContact N-O 3.03Å; D10-M12 HydrophobicContact CB-CB 4.42Å; D10-M12 HydrophobicContact CB-CG 3.85Å; D10-M12 PolarHBondContact O-N 3.16Å; D10-M12 VanDerWaalsContact O-N 3.14Å; D10-M12 WeakPolarHBondContact OD1-CB 3.48Å; D10-M12 PolarHBondContact OD1-N 3.31Å; M12-Y14 HydrophobicContact CB-CD2 4.37Å; M12-Y14 HydrophobicContact CB-CE2 3.46Å; M12-Y14 VanDerWaalsContact CB-CE2 3.46Å; M12-L441 HydrophobicContact CB-CD2 4.25Å; M12-L441 HydrophobicContact CE-CD1 4.23Å; M12-L441 HydrophobicContact CE-CD2 3.62Å; M12-L441 HydrophobicContact SD-CD2 4.33Å
13C81.6Confident83.8Confident15 Ų1545.5 Ų45.510%0.10124%0.238CC..EExtended strand (participates in β ladder)trans-113.3134.5-176.7-57.40000111.8F4 V5 R6 L441F4-C13 HydrophobicContact CE1-CB 3.71Å; F4-C13 HydrophobicContact CE2-CB 3.97Å; F4-C13 HydrophobicContact CZ-CB 3.32Å; V5-C13 CarbonylContact O-C 3.49Å; V5-C13 WeakPolarHBondContact O-CA 3.43Å; R6-C13 VanDerWaalsContact CG-SG 3.59Å; C13-L441 WeakPolarHBondContact O-CD2 3.32Å
14Y80.9Confident83.8Confident36 Ų3646.5 Ų46.514%0.14124%0.243CC..EExtended strand (participates in β ladder)trans-135.9147.8-175.5-59-84.6000111.3F4 V5 F7 M12 L441 T445F4-Y14 CarbonylContact C-O 3.58Å; F4-Y14 WeakPolarHBondContact CA-O 3.35Å; F4-Y14 WeakPolarHBondContact CD2-O 3.47Å; V5-Y14 PolarHBondContact N-O 3.24Å; V5-Y14 PolarHBondContact O-N 3.37Å; F7-Y14 AromaticContact CD2-CD2 3.36Å; F7-Y14 HydrophobicContact CD2-CD2 3.36Å; F7-Y14 AromaticContact CD2-CE2 3.59Å; F7-Y14 HydrophobicContact CD2-CE2 3.59Å; F7-Y14 AromaticContact CE2-CD2 3.34Å; F7-Y14 HydrophobicContact CE2-CD2 3.34Å; F7-Y14 AromaticContact CE2-CE2 3.85Å; F7-Y14 HydrophobicContact CE2-CE2 3.85Å; F7-Y14 HydrophobicContact CE2-CG 4.18Å; M12-Y14 HydrophobicContact CB-CD2 4.37Å; M12-Y14 HydrophobicContact CB-CE2 3.46Å; M12-Y14 VanDerWaalsContact CB-CE2 3.46Å; Y14-L441 HydrophobicContact CD1-CD1 4.01Å; Y14-L441 HydrophobicContact CD1-CD2 4.02Å; Y14-L441 HydrophobicContact CD1-CG 3.64Å; Y14-L441 HydrophobicContact CE1-CD1 3.35Å; Y14-L441 HydrophobicContact CE1-CD2 3.77Å; Y14-L441 HydrophobicContact CE1-CG 3.47Å; Y14-L441 VanDerWaalsContact CE1-CG 3.47Å; Y14-T445 HydrophobicContact CD1-CG2 3.21Å; Y14-T445 HydrophobicContact CE1-CG2 3.86Å; Y14-T445 HydrophobicContact CG-CG2 4.05Å
15A85.6Confident83.8Confident0 Ų057.6 Ų57.60%029%0.285CS..EExtended strand (participates in β ladder)trans-94.3114.916700000108F4 V64 F67 I442 T445F4-A15 HydrophobicContact CD2-CB 4.29Å; A15-V64 HydrophobicContact CB-CG1 3.81Å; A15-F67 HydrophobicContact CB-CD2 3.97Å; A15-F67 HydrophobicContact CB-CE2 4.37Å; A15-I442 HydrophobicContact CB-CG1 4.4Å; A15-I442 HydrophobicContact CB-CG2 3.97Å; A15-T445 PolarHBondContact O-OG1 2.9Å; A15-T445 VanDerWaalsContact O-OG1 3.11Å
16L85.4Confident83.9Confident14 Ų1458.6 Ų58.67%0.07329%0.291CS..EExtended strand (participates in β ladder)trans-127150.8-178-61.9176.1000110.4Y2 A3 V5 F7 V40Y2-L16 CarbonylContact C-O 3.52Å; Y2-L16 WeakPolarHBondContact CA-O 3.47Å; A3-L16 PolarHBondContact N-O 3.26Å; A3-L16 PolarHBondContact O-N 2.87Å; V5-L16 HydrophobicContact CG2-CD1 3.8Å; V5-L16 HydrophobicContact CG2-CG 4.3Å; F7-L16 HydrophobicContact CE2-CD1 4.21Å; F7-L16 HydrophobicContact CZ-CD1 3.98Å; L16-V40 HydrophobicContact CD1-CG1 3.63Å
17P85.8Confident83.8Confident21 Ų2164.3 Ų64.314%0.13632%0.323CS..EExtended strand (participates in β ladder)trans-59141.4170.5-21.232.2000109.2Y2 S19 T20 E449Y2-P17 HydrophobicContact CD1-CB 4.47Å; Y2-P17 HydrophobicContact CD1-CG 4.18Å; Y2-P17 HydrophobicContact CE1-CB 4.42Å; Y2-P17 HydrophobicContact CE1-CG 3.85Å; P17-S19 WeakPolarHBondContact CB-OG 3.35Å; P17-S19 PolarHBondContact O-N 2.88Å; P17-T20 HydrophobicContact CB-CG2 4.43Å; P17-T20 HydrophobicContact CG-CG2 4.41Å; P17-T20 WeakPolarHBondContact O-CB 3.48Å; P17-T20 PolarHBondContact O-N 3.46Å; P17-T20 PolarHBondContact O-OG1 3.05Å; P17-E449 WeakPolarHBondContact CD-OE1 3.46Å; P17-E449 WeakPolarHBondContact CD-OE2 3.43Å; P17-E449 VanDerWaalsContact CG-CD 3.43Å; P17-E449 WeakPolarHBondContact CG-OE1 3.46Å; P17-E449 WeakPolarHBondContact CG-OE2 3.5Å
18V87.6Confident83.9Confident18 Ų1870 Ų7011%0.10935%0.349CS..G310 helixtrans-55.3-26.7175.3164.90000112.3M1 A3 T20 I21 F24 P26 L60M1-V18 HydrophobicContact CB-CG2 4.08Å; M1-V18 HydrophobicContact CG-CG2 3.97Å; M1-V18 WeakPolarHBondContact O-CG2 3.37Å; M1-V18 PolarHBondContact O-N 3.19Å; M1-V18 VanDerWaalsContact O-N 3.16Å; M1-V18 HydrophobicContact SD-CG2 4.44Å; A3-V18 HydrophobicContact CB-CG2 4.2Å; V18-T20 PolarHBondContact O-N 3.34Å; V18-I21 WeakPolarHBondContact O-CB 3.08Å; V18-I21 PolarHBondContact O-N 3.48Å; V18-I21 VanDerWaalsContact O-N 3.15Å; V18-F24 HydrophobicContact CG1-CD1 3.87Å; V18-F24 HydrophobicContact CG1-CE1 4.2Å; V18-F24 HydrophobicContact CG2-CE1 4.44Å; V18-P26 HydrophobicContact CB-CG 4.39Å; V18-P26 HydrophobicContact CG1-CG 3.51Å; V18-P26 HydrophobicContact CG2-CG 3.93Å; V18-L60 HydrophobicContact CG2-CD2 4.18Å
19S85.6Confident84.1Confident109 Ų10970.6 Ų70.676%0.76235%0.349SS*.G310 helixtrans-65-18.5176.950.90000114.8P17P17-S19 WeakPolarHBondContact CB-OG 3.35Å; P17-S19 PolarHBondContact O-N 2.88Å
20T85.7Confident84.3Confident18 Ų1869.8 Ų69.811%0.1135%0.353CS..G310 helixtrans-77.6-13.6175.862.20000112.7P17 V18 H41P17-T20 HydrophobicContact CB-CG2 4.43Å; P17-T20 HydrophobicContact CG-CG2 4.41Å; P17-T20 WeakPolarHBondContact O-CB 3.48Å; P17-T20 PolarHBondContact O-N 3.46Å; P17-T20 PolarHBondContact O-OG1 3.05Å; V18-T20 PolarHBondContact O-N 3.34Å; T20-H41 PolarHBondContact O-N 3.31Å
21I87.5Confident84.9Confident7 Ų769.8 Ų69.84%0.03635%0.353CS..BIsolated β-bridgetrans-95.7123.6-176.4-49.6-174.1000109.2A3 V5 V18 F24 Y38 L39 V40 I57A3-I21 HydrophobicContact CB-CD1 3.55Å; V5-I21 HydrophobicContact CG1-CD1 3.9Å; V18-I21 WeakPolarHBondContact O-CB 3.08Å; V18-I21 PolarHBondContact O-N 3.48Å; V18-I21 VanDerWaalsContact O-N 3.15Å; I21-F24 HydrophobicContact CB-CB 3.85Å; I21-F24 HydrophobicContact CB-CD1 4.03Å; I21-F24 HydrophobicContact CB-CG 4.33Å; I21-F24 HydrophobicContact CD1-CD1 3.89Å; I21-F24 HydrophobicContact CD1-CE1 4.3Å; I21-F24 HydrophobicContact CG1-CD1 4.48Å; I21-F24 HydrophobicContact CG2-CB 3.45Å; I21-F24 VanDerWaalsContact CG2-CB 3.45Å; I21-F24 HydrophobicContact CG2-CD1 3.96Å; I21-F24 HydrophobicContact CG2-CG 3.91Å; I21-Y38 HydrophobicContact CG2-CD1 4Å; I21-Y38 HydrophobicContact CG2-CG 4.33Å; I21-L39 WeakPolarHBondContact CA-O 3.46Å; I21-V40 HydrophobicContact CB-CG2 4.42Å; I21-V40 HydrophobicContact CD1-CG2 4.44Å; I21-V40 HydrophobicContact CG1-CG1 4.23Å; I21-V40 HydrophobicContact CG1-CG2 3.94Å; I21-V40 HydrophobicContact CG2-CG2 4.18Å; I21-I57 HydrophobicContact CD1-CD1 3.73Å; I21-I57 HydrophobicContact CD1-CG1 4.01Å
22E87.1Confident85.6Confident74 Ų7468.2 Ų68.235%0.34634%0.342SS..THydrogen-bonded Turntrans-63.1138-179.8-69.9-168.6157.800112.2F24 L39 H41E22-F24 PolarHBondContact O-N 3.48Å; E22-L39 HydrophobicContact CB-CB 4.11Å; E22-L39 HydrophobicContact CG-CB 4.15Å; E22-L39 PolarHBondContact N-O 3.21Å; E22-L39 WeakPolarHBondContact OE2-CB 3.41Å; E22-L39 VanDerWaalsContact OE2-CD1 3.27Å; E22-L39 WeakPolarHBondContact OE2-CD1 3.48Å; E22-H41 WeakPolarHBondContact CG-CE1 3.32Å; E22-H41 IonicContact OE1-CE1 2.89Å; E22-H41 PolarHBondContact OE1-CE1 3.01Å; E22-H41 IonicContact OE1-NE2 2.7Å; E22-H41 PolarHBondContact OE1-NE2 3.35Å
23D84.4Confident86Confident172 Ų17268.2 Ų68.292%0.9234%0.344SS*.THydrogen-bonded Turntrans49.926.7176.1-64.9-32.8000114.8
24F90.3Very high86.1Confident22 Ų2271.5 Ų71.510%0.09636%0.361CS..  trans-115.9110.9-175.1-172.3-116.9000111.5V18 I21 E22 P26 D31 F32 Y38 I57 L60V18-F24 HydrophobicContact CG1-CD1 3.87Å; V18-F24 HydrophobicContact CG1-CE1 4.2Å; V18-F24 HydrophobicContact CG2-CE1 4.44Å; I21-F24 HydrophobicContact CB-CB 3.85Å; I21-F24 HydrophobicContact CB-CD1 4.03Å; I21-F24 HydrophobicContact CB-CG 4.33Å; I21-F24 HydrophobicContact CD1-CD1 3.89Å; I21-F24 HydrophobicContact CD1-CE1 4.3Å; I21-F24 HydrophobicContact CG1-CD1 4.48Å; I21-F24 HydrophobicContact CG2-CB 3.45Å; I21-F24 VanDerWaalsContact CG2-CB 3.45Å; I21-F24 HydrophobicContact CG2-CD1 3.96Å; I21-F24 HydrophobicContact CG2-CG 3.91Å; E22-F24 PolarHBondContact O-N 3.48Å; F24-P26 HydrophobicContact CD1-CG 4.1Å; F24-P26 HydrophobicContact CE1-CB 4.12Å; F24-P26 VanDerWaalsContact CE1-CD 3.46Å; F24-P26 HydrophobicContact CE1-CG 3.48Å; F24-P26 VanDerWaalsContact CE1-CG 3.48Å; F24-P26 HydrophobicContact CE2-CB 4.42Å; F24-P26 HydrophobicContact CZ-CB 3.81Å; F24-P26 HydrophobicContact CZ-CG 3.73Å; F24-D31 WeakPolarHBondContact CE2-O 3.29Å; F24-D31 WeakPolarHBondContact CZ-O 3.48Å; F24-F32 HydrophobicContact CE2-CB 4.42Å; F24-F32 HydrophobicContact CZ-CB 3.97Å; F24-Y38 HydrophobicContact CD2-CD1 4.17Å; F24-Y38 AromaticContact CD2-CE1 3.6Å; F24-Y38 HydrophobicContact CD2-CE1 3.6Å; F24-Y38 AromaticContact CE2-CE1 3.81Å; F24-Y38 HydrophobicContact CE2-CE1 3.81Å; F24-Y38 HydrophobicContact CG-CD1 4.38Å; F24-Y38 HydrophobicContact CG-CE1 4.23Å; F24-I57 HydrophobicContact CD1-CD1 3.78Å; F24-I57 HydrophobicContact CD2-CD1 4.34Å; F24-I57 HydrophobicContact CE1-CD1 3.37Å; F24-I57 HydrophobicContact CE2-CD1 3.98Å; F24-I57 HydrophobicContact CG-CD1 4.25Å; F24-I57 HydrophobicContact CZ-CD1 3.48Å; F24-I57 VanDerWaalsContact CZ-CD1 3.48Å; F24-L60 HydrophobicContact CE1-CD2 3.97Å; F24-L60 HydrophobicContact CZ-CD1 4.15Å; F24-L60 HydrophobicContact CZ-CD2 4.3Å
25R86Confident86.2Confident235 Ų23577.3 Ų77.389%0.88739%0.389SS*.  trans-130.870.8-179.1-62.8-171.4-178.1-156.60.6111.1
26P89.6Confident86.3Confident21 Ų2182.8 Ų82.814%0.13641%0.413CS..  trans-62.6137.5176.128.6-37.4000111.1M1 V18 F24 D31 L60M1-P26 HydrophobicContact SD-CB 4.21Å; M1-P26 HydrophobicContact SD-CG 3.91Å; V18-P26 HydrophobicContact CB-CG 4.39Å; V18-P26 HydrophobicContact CG1-CG 3.51Å; V18-P26 HydrophobicContact CG2-CG 3.93Å; F24-P26 HydrophobicContact CD1-CG 4.1Å; F24-P26 HydrophobicContact CE1-CB 4.12Å; F24-P26 VanDerWaalsContact CE1-CD 3.46Å; F24-P26 HydrophobicContact CE1-CG 3.48Å; F24-P26 VanDerWaalsContact CE1-CG 3.48Å; F24-P26 HydrophobicContact CE2-CB 4.42Å; F24-P26 HydrophobicContact CZ-CB 3.81Å; F24-P26 HydrophobicContact CZ-CG 3.73Å; P26-D31 HydrophobicContact CB-CB 3.75Å; P26-L60 HydrophobicContact CB-CD1 3.61Å; P26-L60 HydrophobicContact CG-CD1 4.01Å
27L84.8Confident86.5Confident146 Ų14685.1 Ų85.176%0.76443%0.427SS*.SBendtrans-98.3-28.7172.4-67.4167.8000110.9D31L27-D31 WeakPolarHBondContact CA-OD2 3.31Å; L27-D31 PolarHBondContact N-OD2 3.5Å
28H85.9Confident86.7Confident122 Ų12284.8 Ų84.857%0.56542%0.424SS*.SBendtrans-126.5158.8179.3-60.5-63.5000112T30 D31H28-T30 PolarHBondContact O-N 3.49Å; H28-D31 IonicContact CD2-OD2 3.88Å; H28-D31 PolarHBondContact N-OD2 3.18Å; H28-D31 VanDerWaalsContact O-CB 3.31Å; H28-D31 WeakPolarHBondContact O-CB 3.26Å; H28-D31 PolarHBondContact O-N 3.43Å
29R86.2Confident86.8Confident97 Ų9787.3 Ų87.337%0.36644%0.436SS..THydrogen-bonded Turntrans-61.2-14.4178-67.3-179.1164.3-144-4.2114.6M1 F32 D62 E66M1-R29 HydrophobicContact CE-CG 4.49Å; R29-F32 WeakPolarHBondContact O-CD1 3.3Å; R29-F32 VanDerWaalsContact O-CE1 3.27Å; R29-F32 WeakPolarHBondContact O-CE1 3.46Å; R29-D62 IonicContact CZ-OD2 3.61Å; R29-D62 IonicContact NE-OD2 2.91Å; R29-D62 PolarHBondContact NE-OD2 3.01Å; R29-D62 IonicContact NH2-OD2 3.44Å; R29-D62 PolarHBondContact NH2-OD2 3.2Å; R29-E66 IonicContact CZ-OE1 3.26Å; R29-E66 IonicContact CZ-OE2 3.25Å; R29-E66 IonicContact NH1-OE2 3.7Å; R29-E66 PolarHBondContact NH1-OE2 2.77Å; R29-E66 IonicContact NH2-OE1 3.38Å; R29-E66 PolarHBondContact NH2-OE1 3.3Å; R29-E66 IonicContact NH2-OE2 2.71Å; R29-E66 PolarHBondContact NH2-OE2 2.94Å
30T85.2Confident86.9Confident112 Ų11282.1 Ų82.169%0.68740%0.4SS*.THydrogen-bonded Turntrans-101.50.917951.40000112.9H28 F32H28-T30 PolarHBondContact O-N 3.49Å; T30-F32 PolarHBondContact O-N 3.36Å
31D88Confident86.7Confident61 Ų6184 Ų8433%0.32641%0.407SS..  trans-82.949.8-174.6-64.9-5.6000111.1F24 P26 L27 H28F24-D31 WeakPolarHBondContact CE2-O 3.29Å; F24-D31 WeakPolarHBondContact CZ-O 3.48Å; P26-D31 HydrophobicContact CB-CB 3.75Å; L27-D31 WeakPolarHBondContact CA-OD2 3.31Å; L27-D31 PolarHBondContact N-OD2 3.5Å; H28-D31 IonicContact CD2-OD2 3.88Å; H28-D31 PolarHBondContact N-OD2 3.18Å; H28-D31 VanDerWaalsContact O-CB 3.31Å; H28-D31 WeakPolarHBondContact O-CB 3.26Å; H28-D31 PolarHBondContact O-N 3.43Å
32F88.3Confident86.2Confident53 Ų5386.6 Ų86.623%0.23242%0.417CS..  trans-143148.1173.272.9-81.1000109.6F24 R29 T30 N34 I57 L58 L60F24-F32 HydrophobicContact CE2-CB 4.42Å; F24-F32 HydrophobicContact CZ-CB 3.97Å; R29-F32 WeakPolarHBondContact O-CD1 3.3Å; R29-F32 VanDerWaalsContact O-CE1 3.27Å; R29-F32 WeakPolarHBondContact O-CE1 3.46Å; T30-F32 PolarHBondContact O-N 3.36Å; F32-N34 HydrophobicContact CE2-CB 4.17Å; F32-I57 HydrophobicContact CB-CB 4.17Å; F32-I57 HydrophobicContact CB-CD1 4.28Å; F32-I57 HydrophobicContact CB-CG2 3.83Å; F32-I57 HydrophobicContact CD2-CB 3.96Å; F32-I57 HydrophobicContact CD2-CG2 3.62Å; F32-I57 WeakPolarHBondContact CD2-O 3.4Å; F32-I57 HydrophobicContact CE2-CG2 4.3Å; F32-I57 HydrophobicContact CG-CB 4.35Å; F32-I57 HydrophobicContact CG-CG2 3.75Å; F32-L58 WeakPolarHBondContact CE2-O 3.46Å; F32-L58 WeakPolarHBondContact CZ-O 3.43Å; F32-L60 HydrophobicContact CB-CD1 4.24Å; F32-L60 HydrophobicContact CB-CG 4.43Å; F32-L60 HydrophobicContact CD1-CD1 3.83Å; F32-L60 HydrophobicContact CD1-CG 3.72Å; F32-L60 HydrophobicContact CE1-CG 4.34Å; F32-L60 HydrophobicContact CG-CD1 4.43Å; F32-L60 HydrophobicContact CG-CG 4.29Å
33D85.7Confident85Confident79 Ų7987.3 Ų87.342%0.42243%0.426SS..  trans-104.1115174.5-178.9-8.8000108.3Q35 K36 Y38D33-Q35 PolarHBondContact O-N 2.97Å; D33-Q35 VanDerWaalsContact O-N 3.1Å; D33-Q35 PolarHBondContact OD1-N 3.03Å; D33-K36 HydrophobicContact CB-CB 3.76Å; D33-K36 PolarHBondContact O-N 3.05Å; D33-K36 VanDerWaalsContact O-N 3.16Å; D33-Y38 PolarHBondContact N-OH 3.48Å; D33-Y38 WeakPolarHBondContact O-CE2 3.4Å
34N82.8Confident83.7Confident85 Ų8584.8 Ų84.846%0.45541%0.409SS..THydrogen-bonded Turntrans-71.82.9-179.470.18000114F32 Q56F32-N34 HydrophobicContact CE2-CB 4.17Å; N34-Q56 PolarHBondContact O-NE2 3.5Å
35Q82.4Confident81.7Confident158 Ų15891.8 Ų91.874%0.73844%0.442SS*.THydrogen-bonded Turntrans-111.7-15.2171.7-56.9-170.24.500112.6D33D33-Q35 PolarHBondContact O-N 2.97Å; D33-Q35 VanDerWaalsContact O-N 3.1Å; D33-Q35 PolarHBondContact OD1-N 3.03Å
36K87.5Confident79.7Confident114 Ų11487.2 Ų87.250%0.49644%0.435SS..SBendtrans-75.7142.1-179.9-176.7176.1177.5-169.70110.5D33 Y38D33-K36 HydrophobicContact CB-CB 3.76Å; D33-K36 PolarHBondContact O-N 3.05Å; D33-K36 VanDerWaalsContact O-N 3.16Å; K36-Y38 HydrophobicContact CB-CD2 4.37Å; K36-Y38 HydrophobicContact CB-CE2 3.69Å; K36-Y38 HydrophobicContact CD-CE1 4.02Å; K36-Y38 HydrophobicContact CD-CE2 4.27Å; K36-Y38 HydrophobicContact CG-CD2 4.36Å; K36-Y38 HydrophobicContact CG-CE2 3.97Å; K36-Y38 VanDerWaalsContact O-CD2 3.31Å; K36-Y38 WeakPolarHBondContact O-CD2 3.5Å; K36-Y38 WeakPolarHBondContact O-CE2 3.38Å
37V89.4Confident77.8Confident63 Ų6390.1 Ų90.138%0.38247%0.469SS..  trans-88129.7167.9-176.60000108F8 E54F8-V37 HydrophobicContact CD2-CG1 4.35Å; F8-V37 HydrophobicContact CE2-CB 4.33Å; F8-V37 HydrophobicContact CE2-CG1 3.89Å; F8-V37 HydrophobicContact CE2-CG2 3.8Å; F8-V37 HydrophobicContact CZ-CG2 3.77Å; V37-E54 HydrophobicContact CG1-CB 3.75Å; V37-E54 HydrophobicContact CG1-CG 3.96Å
38Y90.6Very high75.9Confident15 Ų1587.7 Ų87.76%0.05946%0.463CS..EExtended strand (participates in β ladder)trans-114146.6178.3-64.8-95.1000108.8I21 F24 D33 K36 A55 I57I21-Y38 HydrophobicContact CG2-CD1 4Å; I21-Y38 HydrophobicContact CG2-CG 4.33Å; F24-Y38 HydrophobicContact CD2-CD1 4.17Å; F24-Y38 AromaticContact CD2-CE1 3.6Å; F24-Y38 HydrophobicContact CD2-CE1 3.6Å; F24-Y38 AromaticContact CE2-CE1 3.81Å; F24-Y38 HydrophobicContact CE2-CE1 3.81Å; F24-Y38 HydrophobicContact CG-CD1 4.38Å; F24-Y38 HydrophobicContact CG-CE1 4.23Å; D33-Y38 PolarHBondContact N-OH 3.48Å; D33-Y38 WeakPolarHBondContact O-CE2 3.4Å; K36-Y38 HydrophobicContact CB-CD2 4.37Å; K36-Y38 HydrophobicContact CB-CE2 3.69Å; K36-Y38 HydrophobicContact CD-CE1 4.02Å; K36-Y38 HydrophobicContact CD-CE2 4.27Å; K36-Y38 HydrophobicContact CG-CD2 4.36Å; K36-Y38 HydrophobicContact CG-CE2 3.97Å; K36-Y38 VanDerWaalsContact O-CD2 3.31Å; K36-Y38 WeakPolarHBondContact O-CD2 3.5Å; K36-Y38 WeakPolarHBondContact O-CE2 3.38Å; Y38-A55 PolarHBondContact N-O 3.44Å; Y38-A55 PolarHBondContact O-N 3.42Å; Y38-I57 HydrophobicContact CD1-CD1 3.73Å; Y38-I57 HydrophobicContact CD1-CG1 4.38Å; Y38-I57 HydrophobicContact CD2-CB 4.3Å; Y38-I57 HydrophobicContact CD2-CD1 3.82Å; Y38-I57 HydrophobicContact CD2-CG1 3.63Å; Y38-I57 HydrophobicContact CE1-CD1 3.67Å; Y38-I57 HydrophobicContact CE2-CB 4.13Å; Y38-I57 HydrophobicContact CE2-CD1 3.76Å; Y38-I57 HydrophobicContact CE2-CG1 3.81Å; Y38-I57 HydrophobicContact CG-CD1 3.79Å; Y38-I57 HydrophobicContact CG-CG1 3.92Å
39L89.7Confident74.5Confident71 Ų7185.8 Ų85.837%0.37247%0.468SS..EExtended strand (participates in β ladder)trans-91.7124.6172.4-71.8165.2000108.2I21 E22 P52 E54I21-L39 WeakPolarHBondContact CA-O 3.46Å; E22-L39 HydrophobicContact CB-CB 4.11Å; E22-L39 HydrophobicContact CG-CB 4.15Å; E22-L39 PolarHBondContact N-O 3.21Å; E22-L39 WeakPolarHBondContact OE2-CB 3.41Å; E22-L39 VanDerWaalsContact OE2-CD1 3.27Å; E22-L39 WeakPolarHBondContact OE2-CD1 3.48Å; L39-P52 HydrophobicContact CB-CB 4.22Å; L39-P52 HydrophobicContact CD2-CB 4.29Å; L39-E54 HydrophobicContact CD2-CG 4.24Å
40V87.9Confident73.3Confident0 Ų081.6 Ų81.60%046%0.455CS..EExtended strand (participates in β ladder)trans-130.7127.2-173.8-173.30000109.4F7 L16 I21 C53 A55F7-V40 HydrophobicContact CE1-CB 3.92Å; F7-V40 HydrophobicContact CE1-CG1 4.24Å; F7-V40 HydrophobicContact CZ-CB 4.14Å; F7-V40 HydrophobicContact CZ-CG1 3.96Å; L16-V40 HydrophobicContact CD1-CG1 3.63Å; I21-V40 HydrophobicContact CB-CG2 4.42Å; I21-V40 HydrophobicContact CD1-CG2 4.44Å; I21-V40 HydrophobicContact CG1-CG1 4.23Å; I21-V40 HydrophobicContact CG1-CG2 3.94Å; I21-V40 HydrophobicContact CG2-CG2 4.18Å; V40-C53 PolarHBondContact N-O 3.15Å; V40-C53 PolarHBondContact O-N 3.21Å; V40-A55 HydrophobicContact CB-CB 4.31Å; V40-A55 HydrophobicContact CG2-CB 3.74Å
41H82.4Confident72.7Confident57 Ų5784.5 Ų84.526%0.26446%0.461SS..EExtended strand (participates in β ladder)trans-82.7127.8177.5-65.893.4000110.6T20 E22 G50T20-H41 PolarHBondContact O-N 3.31Å; E22-H41 WeakPolarHBondContact CG-CE1 3.32Å; E22-H41 IonicContact OE1-CE1 2.89Å; E22-H41 PolarHBondContact OE1-CE1 3.01Å; E22-H41 IonicContact OE1-NE2 2.7Å; E22-H41 PolarHBondContact OE1-NE2 3.35Å; H41-G50 PolarHBondContact CD2-O 3.06Å
42R75.2Confident72.4Confident62 Ų6284.2 Ų84.223%0.23446%0.463CS..EExtended strand (participates in β ladder)trans-85.6129.8167.9-67.2-176.9175.9-163.5-2.8108.7F7 D10 E44F7-R42 VanDerWaalsContact CB-NH2 3.29Å; F7-R42 HydrophobicContact CE1-CG 4.05Å; F7-R42 HydrophobicContact CZ-CG 3.82Å; D10-R42 IonicContact OD1-NH2 3Å; D10-R42 PolarHBondContact OD1-NH2 2.82Å; D10-R42 IonicContact OD2-CZ 3.43Å; D10-R42 IonicContact OD2-NH1 3.06Å; D10-R42 PolarHBondContact OD2-NH1 3.4Å; D10-R42 IonicContact OD2-NH2 3.43Å; D10-R42 PolarHBondContact OD2-NH2 3.07Å; R42-E44 PolarHBondContact O-N 3.12Å
43T63Low72.2Confident89 Ų8982.4 Ų82.455%0.54646%0.456SS..EExtended strand (participates in β ladder)trans-77.9108.7171.4-37.60000107.8
44E56.8Low72.4Confident119 Ų11983.9 Ų83.956%0.55646%0.461SS*.  trans-89.7148.4171.3-65.1-164.4176.900110.4R42 N46 G47R42-E44 PolarHBondContact O-N 3.12Å; E44-N46 PolarHBondContact O-N 2.93Å; E44-G47 PolarHBondContact O-N 3.22Å
45E47.6Very low72.7Confident168 Ų16879.9 Ų79.979%0.78544%0.439SS*.THydrogen-bonded Turntrans-56.8-12.5-176.1-77.4-178.9146.800114.7M448E45-M448 HydrophobicContact CG-CE 3.91Å
46N44.9Very low73.1Confident140 Ų14073.1 Ų73.175%0.74941%0.408SS*.THydrogen-bonded Turntrans-98.313.8-171.8-66.1-25.1000115.1E44 C48E44-N46 PolarHBondContact O-N 2.93Å; N46-C48 PolarHBondContact O-N 3.36Å
47G49.8Very low73.2Confident82 Ų8267.7 Ų67.785%0.84538%0.384SS*.SBendtrans67.65.9174.300000115.4E44E44-G47 PolarHBondContact O-N 3.22Å
48C43.7Very low73.1Confident94 Ų9466 Ų6664%0.63537%0.373SS*.SBendtrans-96.5126.5167.8-164.80000108N46 G50N46-C48 PolarHBondContact O-N 3.36Å; C48-G50 PolarHBondContact O-N 3.23Å
49A56.5Low72.9Confident82 Ų8266.1 Ų66.168%0.67838%0.377SS*.EExtended strand (participates in β ladder)trans-56.6114.5171.100000108
50G62.5Low72.9Confident10 Ų1063.3 Ų63.310%0.10336%0.362CS..EExtended strand (participates in β ladder)trans-57.5156.4176.100000110.1H41 C48H41-G50 PolarHBondContact CD2-O 3.06Å; C48-G50 PolarHBondContact O-N 3.23Å
51Q71.3Confident72.9Confident173 Ų17363.4 Ų63.481%0.80836%0.363SS*.EExtended strand (participates in β ladder)trans-56.9141174.9-66.2-150.6-59.400110C53Q51-C53 PolarHBondContact O-N 3.28Å
52P81.4Confident73.1Confident55 Ų5564.6 Ų64.636%0.35737%0.371SS..EExtended strand (participates in β ladder)trans-63.1123.6177.624-31.8000109.6L39L39-P52 HydrophobicContact CB-CB 4.22Å; L39-P52 HydrophobicContact CD2-CB 4.29Å
53C85.6Confident73.5Confident15 Ų1564.3 Ų64.310%0.10138%0.377CS..EExtended strand (participates in β ladder)trans-96.2149.3178.9-66.10000110.3F7 E9 V40 Q51F7-C53 HydrophobicContact CD1-CB 3.55Å; F7-C53 HydrophobicContact CE1-CB 3.62Å; E9-C53 PolarHBondContact OE1-SG 3.03Å; V40-C53 PolarHBondContact N-O 3.15Å; V40-C53 PolarHBondContact O-N 3.21Å; Q51-C53 PolarHBondContact O-N 3.28Å
54E89.3Confident74.3Confident110 Ų11060.7 Ų60.751%0.51435%0.354SS..EExtended strand (participates in β ladder)trans-74.7129.3173.9-67.8-175.4176.200110.5F8 V37 L39F8-E54 HydrophobicContact CB-CB 4.45Å; F8-E54 HydrophobicContact CD2-CB 3.92Å; F8-E54 WeakPolarHBondContact CD2-O 3.34Å; F8-E54 PolarHBondContact N-O 3.05Å; V37-E54 HydrophobicContact CG1-CB 3.75Å; V37-E54 HydrophobicContact CG1-CG 3.96Å; L39-E54 HydrophobicContact CD2-CG 4.24Å
55A89.6Confident75.5Confident0 Ų061.5 Ų61.50%036%0.358CS..EExtended strand (participates in β ladder)trans-144.4162.3176.800000112.8V5 R6 F7 Y38 V40V5-A55 HydrophobicContact CB-CB 4.22Å; R6-A55 CarbonylContact O-C 3.6Å; R6-A55 WeakPolarHBondContact O-CA 3.39Å; R6-A55 WeakPolarHBondContact O-CB 3.31Å; F7-A55 HydrophobicContact CD1-CB 3.76Å; F7-A55 HydrophobicContact CE1-CB 4.03Å; F7-A55 HydrophobicContact CG-CB 4.11Å; Y38-A55 PolarHBondContact N-O 3.44Å; Y38-A55 PolarHBondContact O-N 3.42Å; V40-A55 HydrophobicContact CB-CB 4.31Å; V40-A55 HydrophobicContact CG2-CB 3.74Å
56Q90.3Very high77.1Confident16 Ų1657 Ų578%0.07534%0.337CS..EExtended strand (participates in β ladder)trans-113.5131.9173.3177.8172.482.400110.2V5 R6 F8 N34 L58V5-Q56 CarbonylContact C-O 3.49Å; V5-Q56 VanDerWaalsContact CA-O 3.29Å; V5-Q56 WeakPolarHBondContact CA-O 3.43Å; R6-Q56 PolarHBondContact N-O 3.25Å; R6-Q56 PolarHBondContact O-N 3.47Å; F8-Q56 HydrophobicContact CE2-CB 4.2Å; F8-Q56 HydrophobicContact CZ-CB 4.38Å; N34-Q56 PolarHBondContact O-NE2 3.5Å; Q56-L58 HydrophobicContact CG-CD2 4.41Å
57I89.8Confident78.8Confident0 Ų050.5 Ų50.50%030%0.302CS..EExtended strand (participates in β ladder)trans-78.6125.4173.5-55.6175000109.1A3 V5 I21 F24 F32 Y38 L60A3-I57 HydrophobicContact CB-CG2 4.32Å; V5-I57 HydrophobicContact CG1-CG1 4.12Å; I21-I57 HydrophobicContact CD1-CD1 3.73Å; I21-I57 HydrophobicContact CD1-CG1 4.01Å; F24-I57 HydrophobicContact CD1-CD1 3.78Å; F24-I57 HydrophobicContact CD2-CD1 4.34Å; F24-I57 HydrophobicContact CE1-CD1 3.37Å; F24-I57 HydrophobicContact CE2-CD1 3.98Å; F24-I57 HydrophobicContact CG-CD1 4.25Å; F24-I57 HydrophobicContact CZ-CD1 3.48Å; F24-I57 VanDerWaalsContact CZ-CD1 3.48Å; F32-I57 HydrophobicContact CB-CB 4.17Å; F32-I57 HydrophobicContact CB-CD1 4.28Å; F32-I57 HydrophobicContact CB-CG2 3.83Å; F32-I57 HydrophobicContact CD2-CB 3.96Å; F32-I57 HydrophobicContact CD2-CG2 3.62Å; F32-I57 WeakPolarHBondContact CD2-O 3.4Å; F32-I57 HydrophobicContact CE2-CG2 4.3Å; F32-I57 HydrophobicContact CG-CB 4.35Å; F32-I57 HydrophobicContact CG-CG2 3.75Å; Y38-I57 HydrophobicContact CD1-CD1 3.73Å; Y38-I57 HydrophobicContact CD1-CG1 4.38Å; Y38-I57 HydrophobicContact CD2-CB 4.3Å; Y38-I57 HydrophobicContact CD2-CD1 3.82Å; Y38-I57 HydrophobicContact CD2-CG1 3.63Å; Y38-I57 HydrophobicContact CE1-CD1 3.67Å; Y38-I57 HydrophobicContact CE2-CB 4.13Å; Y38-I57 HydrophobicContact CE2-CD1 3.76Å; Y38-I57 HydrophobicContact CE2-CG1 3.81Å; Y38-I57 HydrophobicContact CG-CD1 3.79Å; Y38-I57 HydrophobicContact CG-CG1 3.92Å; I57-L60 HydrophobicContact CG2-CD2 3.98Å; I57-L60 HydrophobicContact CG2-CG 4.45Å
58L86.5Confident80.1Confident27 Ų2749.7 Ų49.714%0.14128%0.277CS..EExtended strand (participates in β ladder)trans-101-32.7-179.6-62.7-179.6000112.5F4 R6 F32 Q56 I78F4-L58 HydrophobicContact CD1-CB 3.89Å; F4-L58 HydrophobicContact CD1-CD1 3.72Å; F4-L58 HydrophobicContact CD1-CG 4.35Å; F4-L58 HydrophobicContact CE1-CD1 3.75Å; F4-L58 WeakPolarHBondContact O-CB 3.48Å; F4-L58 PolarHBondContact O-N 3.35Å; R6-L58 HydrophobicContact CB-CD1 3.92Å; R6-L58 HydrophobicContact CB-CG 4.3Å; F32-L58 WeakPolarHBondContact CE2-O 3.46Å; F32-L58 WeakPolarHBondContact CZ-O 3.43Å; Q56-L58 HydrophobicContact CG-CD2 4.41Å; L58-I78 HydrophobicContact CD1-CG2 4.32Å
59A88.3Confident81.7Confident19 Ų1949.4 Ų49.416%0.15727%0.269CS..EExtended strand (participates in β ladder)trans-161.3156.9177.900000111.6A3 F4 F67 M76A3-A59 WeakPolarHBondContact CA-O 3.49Å; F4-A59 HydrophobicContact CB-CB 4.38Å; F4-A59 PolarHBondContact N-O 2.73Å; F4-A59 PolarHBondContact O-N 3.24Å; A59-F67 HydrophobicContact CB-CD1 4.41Å; A59-F67 HydrophobicContact CB-CE1 3.78Å; A59-M76 HydrophobicContact CB-CE 4.12Å
60L89.4Confident82.6Confident11 Ų1146.9 Ų46.96%0.05825%0.246CC..EExtended strand (participates in β ladder)trans-117.9142.1169-60.6177.2000109.8M1 Y2 A3 V18 F24 P26 F32 I57M1-L60 HydrophobicContact SD-CB 4.21Å; M1-L60 HydrophobicContact SD-CD1 4.17Å; Y2-L60 WeakPolarHBondContact O-CA 3.4Å; A3-L60 HydrophobicContact CB-CD2 3.59Å; V18-L60 HydrophobicContact CG2-CD2 4.18Å; F24-L60 HydrophobicContact CE1-CD2 3.97Å; F24-L60 HydrophobicContact CZ-CD1 4.15Å; F24-L60 HydrophobicContact CZ-CD2 4.3Å; P26-L60 HydrophobicContact CB-CD1 3.61Å; P26-L60 HydrophobicContact CG-CD1 4.01Å; F32-L60 HydrophobicContact CB-CD1 4.24Å; F32-L60 HydrophobicContact CB-CG 4.43Å; F32-L60 HydrophobicContact CD1-CD1 3.83Å; F32-L60 HydrophobicContact CD1-CG 3.72Å; F32-L60 HydrophobicContact CE1-CG 4.34Å; F32-L60 HydrophobicContact CG-CD1 4.43Å; F32-L60 HydrophobicContact CG-CG 4.29Å; I57-L60 HydrophobicContact CG2-CD2 3.98Å; I57-L60 HydrophobicContact CG2-CG 4.45Å
61A87.9Confident83Confident3 Ų347.4 Ų47.43%0.02525%0.246CC..EExtended strand (participates in β ladder)trans-146.1158.5174.900000110.7M1 Y2 T63 E66 F67M1-A61 WeakPolarHBondContact CA-O 3.43Å; M1-A61 VanDerWaalsContact CG-O 3.29Å; M1-A61 WeakPolarHBondContact CG-O 3.46Å; Y2-A61 PolarHBondContact N-O 3.07Å; Y2-A61 PolarHBondContact O-N 2.89Å; A61-T63 WeakPolarHBondContact CB-O 3.47Å; A61-E66 HydrophobicContact CB-CB 4.02Å; A61-F67 HydrophobicContact CB-CD1 3.91Å; A61-F67 HydrophobicContact CB-CD2 4.29Å; A61-F67 HydrophobicContact CB-CE1 3.44Å; A61-F67 VanDerWaalsContact CB-CE1 3.44Å; A61-F67 HydrophobicContact CB-CE2 3.88Å; A61-F67 HydrophobicContact CB-CG 4.31Å; A61-F67 HydrophobicContact CB-CZ 3.44Å; A61-F67 VanDerWaalsContact CB-CZ 3.44Å; A61-F67 VanDerWaalsContact N-CZ 3.3Å
62D85.8Confident82.9Confident81 Ų8143.5 Ų43.543%0.43323%0.23SC..SBendtrans-78-34.5-179.3-62.7-51.4000111.5M1 R29M1-D62 WeakPolarHBondContact CE-OD1 3.4Å; R29-D62 IonicContact CZ-OD2 3.61Å; R29-D62 IonicContact NE-OD2 2.91Å; R29-D62 PolarHBondContact NE-OD2 3.01Å; R29-D62 IonicContact NH2-OD2 3.44Å; R29-D62 PolarHBondContact NH2-OD2 3.2Å
63T84.5Confident82.3Confident56 Ų5645.7 Ų45.734%0.34424%0.235SC..SBendtrans-125162.1174.4710000111.5A61A61-T63 WeakPolarHBondContact CB-O 3.47Å
64V78.8Confident81.2Confident13 Ų1351.4 Ų51.48%0.07926%0.259CS..SBendtrans-78.2-30.6179.5-175.70000112.4Y2 A15 E66 F67 E68 I442 V446Y2-V64 HydrophobicContact CD1-CG2 3.49Å; Y2-V64 VanDerWaalsContact CD1-CG2 3.49Å; Y2-V64 HydrophobicContact CD2-CG2 3.84Å; Y2-V64 HydrophobicContact CE1-CG2 3.68Å; Y2-V64 HydrophobicContact CE2-CG2 4.02Å; Y2-V64 HydrophobicContact CG-CG2 3.58Å; A15-V64 HydrophobicContact CB-CG1 3.81Å; V64-E66 PolarHBondContact O-N 3.02Å; V64-E66 VanDerWaalsContact O-N 3.16Å; V64-F67 HydrophobicContact CG1-CD2 4.43Å; V64-F67 WeakPolarHBondContact O-CA 3.48Å; V64-F67 WeakPolarHBondContact O-CB 3.38Å; V64-F67 PolarHBondContact O-N 3.42Å; V64-E68 PolarHBondContact O-N 3.48Å; V64-I442 HydrophobicContact CG1-CG2 3.44Å; V64-I442 VanDerWaalsContact CG1-CG2 3.44Å; V64-V446 HydrophobicContact CB-CG2 3.81Å; V64-V446 HydrophobicContact CG1-CG2 3.44Å; V64-V446 VanDerWaalsContact CG1-CG2 3.44Å; V64-V446 HydrophobicContact CG2-CG2 3.61Å
65E81.3Confident80.1Confident137 Ų13753 Ų5364%0.6426%0.264SS*.Hα-helixtrans-53.6-35.6174.6-64.6165.2176.900111.8F67 E68 D69E65-F67 VanDerWaalsContact C-N 3.31Å; E65-F67 PolarHBondContact O-N 3.32Å; E65-E68 WeakPolarHBondContact O-CB 3.45Å; E65-E68 PolarHBondContact O-N 3Å; E65-D69 PolarHBondContact O-N 3.47Å
66E82.1Confident79Confident72 Ų7254.8 Ų54.834%0.33627%0.273SS..Hα-helixtrans-65.2-32.1176.1-73.7-171.8-132.200113.5R29 A61 V64 S70R29-E66 IonicContact CZ-OE1 3.26Å; R29-E66 IonicContact CZ-OE2 3.25Å; R29-E66 IonicContact NH1-OE2 3.7Å; R29-E66 PolarHBondContact NH1-OE2 2.77Å; R29-E66 IonicContact NH2-OE1 3.38Å; R29-E66 PolarHBondContact NH2-OE1 3.3Å; R29-E66 IonicContact NH2-OE2 2.71Å; R29-E66 PolarHBondContact NH2-OE2 2.94Å; A61-E66 HydrophobicContact CB-CB 4.02Å; V64-E66 PolarHBondContact O-N 3.02Å; V64-E66 VanDerWaalsContact O-N 3.16Å; E66-S70 VanDerWaalsContact O-CB 3.27Å; E66-S70 WeakPolarHBondContact O-CB 3.49Å; E66-S70 PolarHBondContact O-N 2.88Å
67F81.4Confident77.5Confident5 Ų563.2 Ų63.22%0.02231%0.309CS..Hα-helixtrans-69.8-42.2172.8-65.2-49.7000111Y2 F4 A15 A59 A61 V64 E65 D69 S70 I71 M76Y2-F67 WeakPolarHBondContact O-CZ 3.43Å; F4-F67 HydrophobicContact CB-CD1 4.09Å; F4-F67 HydrophobicContact CB-CE1 3.86Å; F4-F67 HydrophobicContact CB-CE2 4.29Å; F4-F67 HydrophobicContact CB-CG 4.42Å; F4-F67 HydrophobicContact CB-CZ 3.95Å; A15-F67 HydrophobicContact CB-CD2 3.97Å; A15-F67 HydrophobicContact CB-CE2 4.37Å; A59-F67 HydrophobicContact CB-CD1 4.41Å; A59-F67 HydrophobicContact CB-CE1 3.78Å; A61-F67 HydrophobicContact CB-CD1 3.91Å; A61-F67 HydrophobicContact CB-CD2 4.29Å; A61-F67 HydrophobicContact CB-CE1 3.44Å; A61-F67 VanDerWaalsContact CB-CE1 3.44Å; A61-F67 HydrophobicContact CB-CE2 3.88Å; A61-F67 HydrophobicContact CB-CG 4.31Å; A61-F67 HydrophobicContact CB-CZ 3.44Å; A61-F67 VanDerWaalsContact CB-CZ 3.44Å; A61-F67 VanDerWaalsContact N-CZ 3.3Å; V64-F67 HydrophobicContact CG1-CD2 4.43Å; V64-F67 WeakPolarHBondContact O-CA 3.48Å; V64-F67 WeakPolarHBondContact O-CB 3.38Å; V64-F67 PolarHBondContact O-N 3.42Å; E65-F67 VanDerWaalsContact C-N 3.31Å; E65-F67 PolarHBondContact O-N 3.32Å; F67-D69 PolarHBondContact O-N 2.93Å; F67-S70 PolarHBondContact O-N 3.39Å; F67-I71 WeakPolarHBondContact O-CD1 3.43Å; F67-I71 VanDerWaalsContact O-CG1 3.27Å; F67-I71 WeakPolarHBondContact O-CG1 3.29Å; F67-I71 PolarHBondContact O-N 2.88Å; F67-M76 HydrophobicContact CD1-SD 4.43Å
68E75.7Confident76.3Confident65 Ų6567 Ų6730%0.30433%0.329SS..Hα-helixtrans-58.5-49176.7-60.9-174.1165.900111.1V64 E65 S70 I71 I72 I442V64-E68 PolarHBondContact O-N 3.48Å; E65-E68 WeakPolarHBondContact O-CB 3.45Å; E65-E68 PolarHBondContact O-N 3Å; E68-S70 PolarHBondContact O-N 3.27Å; E68-I71 PolarHBondContact O-N 3.38Å; E68-I72 WeakPolarHBondContact O-CB 3.38Å; E68-I72 WeakPolarHBondContact O-CD1 3.44Å; E68-I72 WeakPolarHBondContact O-CG1 3.4Å; E68-I72 PolarHBondContact O-N 3.33Å; E68-I442 HydrophobicContact CG-CG2 4.1Å
69D77.6Confident74.6Confident87 Ų8768.5 Ų68.547%0.46534%0.34SS..Hα-helixtrans-60.9-42.8177.2-87.5-17.5000112.5E65 F67 I71 I72 Q73E65-D69 PolarHBondContact O-N 3.47Å; F67-D69 PolarHBondContact O-N 2.93Å; D69-I71 VanDerWaalsContact C-N 3.31Å; D69-I71 PolarHBondContact O-N 2.91Å; D69-I72 PolarHBondContact O-N 3.34Å; D69-Q73 VanDerWaalsContact O-CB 3.26Å; D69-Q73 WeakPolarHBondContact O-CB 3.33Å; D69-Q73 WeakPolarHBondContact O-CG 3.47Å; D69-Q73 PolarHBondContact O-N 3.46Å
70S75.7Confident72.6Confident30 Ų3077.2 Ų77.221%0.2137%0.374CS..Hα-helixtrans-63.8-36.7177.8-169.30000112.2E66 F67 E68 K74 K75 M76E66-S70 VanDerWaalsContact O-CB 3.27Å; E66-S70 WeakPolarHBondContact O-CB 3.49Å; E66-S70 PolarHBondContact O-N 2.88Å; F67-S70 PolarHBondContact O-N 3.39Å; E68-S70 PolarHBondContact O-N 3.27Å; S70-K74 PolarHBondContact O-N 2.94Å; S70-K75 PolarHBondContact O-N 3.36Å; S70-M76 PolarHBondContact O-N 3.36Å; S70-M76 WeakPolarHBondContact OG-CG 3.45Å
71I71.7Confident71Confident20 Ų2080.1 Ų80.110%0.10339%0.389CS..Hα-helixtrans-72.4-44.7176.2-69.5165.8000111.1F4 F67 E68 D69 Q73 K74 M76 K439 I442F4-I71 HydrophobicContact CE2-CD1 4.44Å; F4-I71 HydrophobicContact CZ-CD1 4.26Å; F67-I71 WeakPolarHBondContact O-CD1 3.43Å; F67-I71 VanDerWaalsContact O-CG1 3.27Å; F67-I71 WeakPolarHBondContact O-CG1 3.29Å; F67-I71 PolarHBondContact O-N 2.88Å; E68-I71 PolarHBondContact O-N 3.38Å; D69-I71 VanDerWaalsContact C-N 3.31Å; D69-I71 PolarHBondContact O-N 2.91Å; I71-Q73 VanDerWaalsContact C-N 3.29Å; I71-Q73 PolarHBondContact O-N 2.98Å; I71-K74 PolarHBondContact O-N 2.93Å; I71-K74 VanDerWaalsContact O-N 3.07Å; I71-M76 HydrophobicContact CD1-SD 4.36Å; I71-M76 HydrophobicContact CG1-SD 3.82Å; I71-K439 HydrophobicContact CG2-CG 4.45Å; I71-I442 HydrophobicContact CD1-CD1 3.11Å
72I68.3Low68.9Low91 Ų9184.1 Ų84.147%0.46742%0.416SS..Hα-helixtrans-57.3-46.1175.9-70.9164.3000110.3E68 D69 K74 K439E68-I72 WeakPolarHBondContact O-CB 3.38Å; E68-I72 WeakPolarHBondContact O-CD1 3.44Å; E68-I72 WeakPolarHBondContact O-CG1 3.4Å; E68-I72 PolarHBondContact O-N 3.33Å; D69-I72 PolarHBondContact O-N 3.34Å; I72-K74 PolarHBondContact O-N 3.1Å; I72-K439 VanDerWaalsContact CG1-CE 3.45Å
73Q68.6Low66.9Low101 Ų10188.3 Ų88.347%0.47244%0.437SS..THydrogen-bonded Turntrans-79.91.8-178.4-63.2176.32200113.2D69 I71 K75D69-Q73 VanDerWaalsContact O-CB 3.26Å; D69-Q73 WeakPolarHBondContact O-CB 3.33Å; D69-Q73 WeakPolarHBondContact O-CG 3.47Å; D69-Q73 PolarHBondContact O-N 3.46Å; I71-Q73 VanDerWaalsContact C-N 3.29Å; I71-Q73 PolarHBondContact O-N 2.98Å; Q73-K75 HydrophobicContact CB-CD 3.98Å; Q73-K75 HydrophobicContact CB-CG 3.94Å; Q73-K75 PolarHBondContact O-N 2.9Å
74K63.5Low64.8Low136 Ų13695.7 Ų95.759%0.59146%0.458SS*.THydrogen-bonded Turntrans55.728.7-177.2-57.5173.7179.6163.30113.3S70 I71 I72S70-K74 PolarHBondContact O-N 2.94Å; I71-K74 PolarHBondContact O-N 2.93Å; I71-K74 VanDerWaalsContact O-N 3.07Å; I72-K74 PolarHBondContact O-N 3.1Å
75K65.7Low63.2Low142 Ų142102.6 Ų102.662%0.61750%0.495SS*.  trans-79.5-26.6179-72.5177.8170.3174.10111.3S70 Q73S70-K75 PolarHBondContact O-N 3.36Å; Q73-K75 HydrophobicContact CB-CD 3.98Å; Q73-K75 HydrophobicContact CB-CG 3.94Å; Q73-K75 PolarHBondContact O-N 2.9Å
76M65.4Low61.2Low39 Ų39101.9 Ų101.919%0.19251%0.505CS..  trans-76.9124171.1-91.5161.49500112.6F4 A59 F67 S70 I71F4-M76 HydrophobicContact CB-CE 3.94Å; F4-M76 HydrophobicContact CD1-CE 2.97Å; F4-M76 HydrophobicContact CD2-CE 4.36Å; F4-M76 HydrophobicContact CE1-CE 3.38Å; F4-M76 HydrophobicContact CG-CE 3.51Å; F4-M76 HydrophobicContact CZ-CE 4.23Å; A59-M76 HydrophobicContact CB-CE 4.12Å; F67-M76 HydrophobicContact CD1-SD 4.43Å; S70-M76 PolarHBondContact O-N 3.36Å; S70-M76 WeakPolarHBondContact OG-CG 3.45Å; I71-M76 HydrophobicContact CD1-SD 4.36Å; I71-M76 HydrophobicContact CG1-SD 3.82Å
77K60.3Low58.9Low193 Ų193101.4 Ų101.484%0.83952%0.519SS*.  trans-99.5107.6167.1-69.9178.8-177.4173.40107.5P79K77-P79 WeakPolarHBondContact O-CD 3.5Å
78I63.6Low56.6Low80 Ų80111 Ų11141%0.4156%0.561SS.*  trans-78.6111.9169.3-56.8174000106.6L58L58-I78 HydrophobicContact CD1-CG2 4.32Å
79P52.1Low54.4Low58 Ų58113 Ų11338%0.37758%0.582SS.*PPolyproline II helixtrans-61.4142.8176.8-20.435.1000110.2R6 K77R6-P79 PolarHBondContact NH1-O 2.93Å; K77-P79 WeakPolarHBondContact O-CD 3.5Å
80K45.8Very low52.3Low202 Ų202116.1 Ų116.188%0.87860%0.597SS**PPolyproline II helixtrans-78.5128.2172.1-69-170.6173.8-166.10108.8
81M54.3Low50Low72 Ų72122.3 Ų122.336%0.35562%0.623SS.*PPolyproline II helixtrans-66.8135.2179.6-59.6-57.5-80.700110.9F8F8-M81 HydrophobicContact CD1-CE 4.04Å; F8-M81 HydrophobicContact CE1-CE 3.25Å; F8-M81 HydrophobicContact CZ-CE 3.77Å
82S43.9Very low47.9Very low87 Ų87127.6 Ų127.661%0.60865%0.651SS**PPolyproline II helixtrans-96.8124.9161.2178.90000106.5R84S82-R84 PolarHBondContact O-N 3.48Å
83I45.5Very low46.5Very low169 Ų169130.6 Ų130.687%0.86767%0.669SS**THydrogen-bonded Turntrans-70.133.3-174.1-55.4159.1000112
84R39.9Very low44.5Very low210 Ų210136 Ų13679%0.79269%0.691SS**THydrogen-bonded Turntrans-111.1-1.2-164.4-136.9-176.4-79.3-143.2-0.6116.4S82S82-R84 PolarHBondContact O-N 3.48Å
85N44.1Very low42.8Very low158 Ų158132.8 Ų132.885%0.84570%0.696SS**  trans-120.944.1-173-91.530.4000114.8
86S40.1Very low40.9Very low122 Ų122135.2 Ų135.285%0.85371%0.71SS**  trans-102.154.3162.854.20000111.3
87G34.6Very low39.2Very low62 Ų62142 Ų14264%0.63974%0.741SS**SBendtrans-170.697.3-179.400000116.2
88K31.9Very low37.7Very low208 Ų208144.4 Ų144.490%0.90475%0.745SS**  trans79.6112.4152-59.9-173.3176.3-176.30119.4
89S30.2Very low36Very low106 Ų106148.3 Ų148.374%0.74177%0.766SS**  13.1118.1127.8-159.90000118.4
90I33.7Very low35.1Very low152 Ų152151 Ų15178%0.77978%0.783SS**  trans31.2115.2135.2-53.5174.1000116.9
91E27.4Very low34.4Very low160 Ų160149.1 Ų149.175%0.74878%0.782SS**  172.6149.4102.7-137.2-177.6-162.800113.3
92N27.7Very low33.2Very low131 Ų131156.5 Ų156.570%0.70181%0.806SS**  trans90.7112.2152.7-62.3-35.3000122.2
93N37.1Very low32.8Very low155 Ų155160.6 Ų160.683%0.82982%0.815SS**  trans-64.1141.4159.8-64.3-61.8000112
94F27Very low32.1Very low215 Ų215162.1 Ų162.194%0.94382%0.815SS**  -171.4139.3121.5-127.4-102000110.3
95G27.8Very low31.6Very low68 Ų68162 Ų16270%0.70182%0.82SS**  trans-82.9172.7-166.800000116.1
96E27Very low30.8Very low193 Ų193159.7 Ų159.790%0.90282%0.823SS**  trans-157127.6143.2-142173.5173.500110.2
97E28.2Very low30.3Very low180 Ų180161.2 Ų161.284%0.84182%0.821SS**  trans-56.2143.6167-63.8179.2130.800111
98R29.3Very low30.1Very low245 Ų245164.1 Ų164.193%0.92583%0.831SS**  -168.6143119.1-105.4165.8-179.91752.4114.6
99L27.9Very low30Very low162 Ų162161.6 Ų161.685%0.84882%0.823SS**  trans-61.7168.4-170.4-76155.3000117
100P33.4Very low30Very low114 Ų114161.2 Ų161.274%0.7481%0.813SS**  trans-90.3138.3-169.734.6-32.3000113.7
101L31.5Very low29.8Very low163 Ų163162.2 Ų162.285%0.85381%0.813SS**  trans-98.2111.2175.4-74.4167.4000112.3
102R29.4Very low29.8Very low227 Ų227158 Ų15886%0.85781%0.814SS**  trans-74.3137.8160.9-76.8171.9140.7179.3-2.6110.5
103H34.7Very low30.1Very low172 Ų172161.9 Ų161.980%0.79682%0.824SS**  trans-146.6103.1144.6-68.8-54.2000108
104K31.7Very low30.5Very low201 Ų201159.6 Ų159.687%0.87482%0.818SS**  65.2111.291.7-79.8-163.4178.3179.10115.9
105K28.9Very low30.7Very low207 Ų207157.4 Ų157.490%0.982%0.815SS**  trans-23.8144.3162.9-74.1170.3168.7178.10117.8
106A27.7Very low31Very low110 Ų110158.2 Ų158.291%0.90981%0.81SS**  trans-126.6146.9138.200000109.5
107L28.4Very low31.2Very low154 Ų154156.2 Ų156.281%0.80681%0.805SS**  trans-107.2142-158.1-176.579.1000110
108S31Very low31.6Very low123 Ų123153 Ų15386%0.8680%0.803SS**  trans-153.2115.8150.152.50000111
109Q30Very low32.2Very low155 Ų155146.9 Ų146.972%0.72480%0.798SS**  trans-60.2164163.9-126.5172.2-6100110.3
110D29.1Very low33.6Very low99 Ų99148.3 Ų148.353%0.52980%0.797SS.*  cis-171.5169.220.9-153.8-23.9000110.2
111H31Very low35.1Very low172 Ų172146.5 Ų146.580%0.79679%0.787SS**  trans78.8126.7160.6-49.4-34.5000118.2
112G27.5Very low36.1Very low73 Ų73145.4 Ų145.475%0.75378%0.782SS**  cis160.1120.8-0.500000111.5
113K34.2Very low37.6Very low211 Ų211137.7 Ų137.792%0.91777%0.766SS**  trans84.3158.4145.4-89.1-177-174.2-179.60122.1
114P45Very low39.2Very low108 Ų108132.2 Ų132.270%0.70175%0.751SS**  -128.5178.3-115.243.6-28.1000115.6
115L31.8Very low41Very low169 Ų169126.2 Ų126.289%0.88573%0.731SS**  trans170.7110.6150.6-87.2145.2000108
116S33.9Very low43Very low85 Ų85119.5 Ų119.559%0.59471%0.707SS**  79.5102.877.7-164.20000115
117N30.9Very low45.1Very low150 Ų150116.6 Ų116.680%0.80268%0.683SS**  trans81.4120.1140.3-42.6-6.5000120.4
118S37.2Very low47Very low114 Ų114118.7 Ų118.780%0.79768%0.68SS**  177.911199.6-174.90000111.1K120S118-K120 PolarHBondContact O-N 3Å
119S41.2Very low48.8Very low116 Ų116118.4 Ų118.481%0.81167%0.668SS**  trans-62.7120.9168.8-57.10000109.4S121S119-S121 PolarHBondContact O-N 3.48Å
120K58.1Low50.7Low192 Ų192117 Ų11784%0.83566%0.662SS**  trans-63.9111.3170.9-71.9173.3-179.1167.40108S118 L122S118-K120 PolarHBondContact O-N 3Å; K120-L122 PolarHBondContact O-N 2.92Å
121S63.7Low52.5Low76 Ų76121.5 Ų121.553%0.53167%0.671SS.*  trans-47.9131.8177.8164.80000111.3S119 A123 A124S119-S121 PolarHBondContact O-N 3.48Å; S121-A123 PolarHBondContact O-N 3.03Å; S121-A123 WeakPolarHBondContact OG-CB 3.29Å; S121-A123 PolarHBondContact OG-N 3.39Å; S121-A124 WeakPolarHBondContact O-CB 3.44Å; S121-A124 PolarHBondContact O-N 2.9Å
122L53.5Low53.6Low140 Ų140119.3 Ų119.373%0.73367%0.666SS**Hα-helixtrans-47.6-33.6174.7-169.280.6000112.1K120 A124 V125 V126K120-L122 PolarHBondContact O-N 2.92Å; L122-A124 VanDerWaalsContact C-N 3.29Å; L122-A124 PolarHBondContact O-N 3.06Å; L122-V125 WeakPolarHBondContact O-CB 3.32Å; L122-V125 PolarHBondContact O-N 3.34Å; L122-V126 WeakPolarHBondContact O-CG2 3.5Å; L122-V126 PolarHBondContact O-N 3.04Å
123A60.8Low54.7Low64 Ų64119 Ų11953%0.52966%0.655SS.*Hα-helixtrans-59.9-35.9178.100000113.1S121 V125 V126 A127S121-A123 PolarHBondContact O-N 3.03Å; S121-A123 WeakPolarHBondContact OG-CB 3.29Å; S121-A123 PolarHBondContact OG-N 3.39Å; A123-V125 VanDerWaalsContact C-N 3.26Å; A123-V125 PolarHBondContact O-N 3.46Å; A123-V126 PolarHBondContact O-N 3.46Å; A123-A127 WeakPolarHBondContact O-CB 3.49Å; A123-A127 PolarHBondContact O-N 2.87Å
124A67.9Low55.4Low58 Ų58112.5 Ų112.548%0.47964%0.641SS.*Hα-helixtrans-72.4-22.9177.800000112.7S121 L122S121-A124 WeakPolarHBondContact O-CB 3.44Å; S121-A124 PolarHBondContact O-N 2.9Å; L122-A124 VanDerWaalsContact C-N 3.29Å; L122-A124 PolarHBondContact O-N 3.06Å
125V68.6Low55.3Low75 Ų75114 Ų11446%0.45564%0.644SS.*Hα-helixtrans-79.4-43.2174.8-178.50000109.7L122 A123 R128 L129L122-V125 WeakPolarHBondContact O-CB 3.32Å; L122-V125 PolarHBondContact O-N 3.34Å; A123-V125 VanDerWaalsContact C-N 3.26Å; A123-V125 PolarHBondContact O-N 3.46Å; V125-R128 WeakPolarHBondContact O-CB 3.34Å; V125-R128 PolarHBondContact O-N 3.26Å; V125-L129 HydrophobicContact CG1-CD1 3.84Å; V125-L129 WeakPolarHBondContact O-CD1 3.39Å; V125-L129 PolarHBondContact O-N 3.13Å; V125-L129 VanDerWaalsContact O-N 3.08Å
126V72.6Confident55.6Low66 Ų66110.8 Ų110.840%0.464%0.635SS.*Hα-helixtrans-61.3-48.2177.51760000111.2L122 A123 R128 L129 E130L122-V126 WeakPolarHBondContact O-CG2 3.5Å; L122-V126 PolarHBondContact O-N 3.04Å; A123-V126 PolarHBondContact O-N 3.46Å; V126-R128 PolarHBondContact O-N 3.43Å; V126-R128 VanDerWaalsContact O-N 3.11Å; V126-L129 PolarHBondContact O-N 3.09Å; V126-E130 HydrophobicContact CG1-CG 4.41Å; V126-E130 PolarHBondContact O-N 3.39Å
127A71.9Confident55.6Low48 Ų48116.5 Ų116.540%0.39765%0.645SS.*Hα-helixtrans-61.4-25.2177.800000113.8A123A123-A127 WeakPolarHBondContact O-CB 3.49Å; A123-A127 PolarHBondContact O-N 2.87Å
128R68.3Low55.7Low198 Ų198117 Ų11775%0.74765%0.645SS**Hα-helixtrans-79.1-34.6173.7-92.3179.7164.3-175.8-4.3112.7V125 V126 N132V125-R128 WeakPolarHBondContact O-CB 3.34Å; V125-R128 PolarHBondContact O-N 3.26Å; V126-R128 PolarHBondContact O-N 3.43Å; V126-R128 VanDerWaalsContact O-N 3.11Å; R128-N132 PolarHBondContact O-N 2.89Å
129L68.4Low55.6Low118 Ų118120.9 Ų120.962%0.61865%0.65SS**Hα-helixtrans-70.9-41.8176.4-96.8110.6000111.5V125 V126 R131 N132 A133V125-L129 HydrophobicContact CG1-CD1 3.84Å; V125-L129 WeakPolarHBondContact O-CD1 3.39Å; V125-L129 PolarHBondContact O-N 3.13Å; V125-L129 VanDerWaalsContact O-N 3.08Å; V126-L129 PolarHBondContact O-N 3.09Å; L129-R131 VanDerWaalsContact C-N 3.33Å; L129-R131 PolarHBondContact O-N 2.96Å; L129-N132 PolarHBondContact O-N 3.12Å; L129-N132 VanDerWaalsContact O-N 3.17Å; L129-A133 PolarHBondContact O-N 2.94Å
130E69Low55.1Low126 Ų126118.8 Ų118.859%0.58965%0.647SS**Hα-helixtrans-62.7-39.8178.5-69.8172.9169.600112V126 N132 A133 A134V126-E130 HydrophobicContact CG1-CG 4.41Å; V126-E130 PolarHBondContact O-N 3.39Å; E130-N132 VanDerWaalsContact C-N 3.31Å; E130-N132 PolarHBondContact O-N 3.36Å; E130-A133 PolarHBondContact O-N 3.3Å; E130-A134 PolarHBondContact O-N 3.09Å; E130-A134 VanDerWaalsContact O-N 3.13Å
131R66.3Low54Low192 Ų192118 Ų11873%0.72565%0.646SS**Hα-helixtrans-67.1-30.8176.5-158.1-174.7-127101-2.2113L129L129-R131 VanDerWaalsContact C-N 3.33Å; L129-R131 PolarHBondContact O-N 2.96Å
132N54.9Low52.3Low127 Ų127123 Ų12368%0.67966%0.661SS**Hα-helixtrans-77.5-30.6175.7-90.16.2000112.5R128 L129 E130R128-N132 PolarHBondContact O-N 2.89Å; L129-N132 PolarHBondContact O-N 3.12Å; L129-N132 VanDerWaalsContact O-N 3.17Å; E130-N132 VanDerWaalsContact C-N 3.31Å; E130-N132 PolarHBondContact O-N 3.36Å
133A50.1Low51.2Low65 Ų65123.1 Ų123.154%0.53766%0.662SS.*Hα-helixtrans-70.8-36.5175.700000111.9L129 E130 N135 S136L129-A133 PolarHBondContact O-N 2.94Å; E130-A133 PolarHBondContact O-N 3.3Å; A133-N135 PolarHBondContact O-N 2.85Å; A133-S136 PolarHBondContact O-N 3.43Å
134A50.5Low49.9Very low75 Ų75127.1 Ų127.162%0.6267%0.674SS**Hα-helixtrans-66.7-23177.600000114E130E130-A134 PolarHBondContact O-N 3.09Å; E130-A134 VanDerWaalsContact O-N 3.13Å
135N42.5Very low48.3Very low141 Ų141132.2 Ų132.275%0.75469%0.693SS**THydrogen-bonded Turntrans-89.2-6.8-178.4-93.528.3000114.3A133A133-N135 PolarHBondContact O-N 2.85Å
136S38.1Very low46.6Very low100 Ų100135.4 Ų135.470%0.69970%0.703SS**SBendtrans-95.617.2-176.695.80000114.4A133A133-S136 PolarHBondContact O-N 3.43Å
137Y33.8Very low44.7Very low205 Ų205139.2 Ų139.280%0.80472%0.721SS**SBendtrans-105.211.5-174.2-155.2-102.1000114.9
138M33.3Very low42.9Very low162 Ų162146.7 Ų146.780%0.79874%0.739SS**SBendtrans-140.116.8-171.9-74.7-60-59.500117.7
139E33.2Very low41.2Very low194 Ų194145.4 Ų145.491%0.90775%0.746SS**  trans-137.391.5173.6-70-176.8170.800111
140G31.9Very low39.6Very low72 Ų72143.8 Ų143.874%0.74275%0.75SS**  trans-90.3123.3158.600000108.4
141E34Very low38.1Very low175 Ų175146.5 Ų146.582%0.81876%0.763SS**  65.6101.391.5-76-151.1177.200113.8
142E29Very low36.4Very low181 Ų181146.5 Ų146.585%0.84677%0.771SS**  trans-149.597.8142.7-71.9-171.3-177.900107.7
143D29.8Very low35.6Very low144 Ų144143.7 Ų143.777%0.7777%0.772SS**  trans-123.9126.5162.1-81.8-34.3000105.7
144L34.1Very low35.3Very low148 Ų148149.5 Ų149.578%0.77579%0.788SS**  trans-128.8134.8165.2-78.4178.3000109.9T229L144-T229 HydrophobicContact CD1-CG2 4.32Å
145D33.3Very low34.9Very low165 Ų165152.9 Ų152.988%0.88280%0.796SS**  trans-75.2154.6-168.5-62.2-68.5000113.8
146E34.6Very low34.9Very low142 Ų142149.8 Ų149.866%0.66479%0.789SS**  trans-122.5117.8-179.4-179.6172.6-174.900107
147D31.3Very low35.3Very low145 Ų145151.2 Ų151.278%0.77579%0.789SS**  trans-160.3126.4153.2-124.1-4.3000115
148R35.7Very low35.8Very low206 Ų206148.2 Ų148.278%0.77779%0.787SS**  trans58.4121.4148.6-70.8166.574.3-178.21121.3
149L32.4Very low36.5Very low170 Ų170146.4 Ų146.489%0.8978%0.777SS**  -169.8168.499.5-92.6173.4000111.8
150A33.5Very low37.3Very low85 Ų85143.2 Ų143.270%0.70276%0.762SS**  trans-107.8165.6-154.400000115.5
151E37Very low38.3Very low182 Ų182147.3 Ų147.385%0.8576%0.762SS**  trans71.8152.7154.4-68.6-79.7163.500119.3
152E32.4Very low39Very low193 Ų193144.8 Ų144.890%0.90275%0.75SS**  trans80.2120.7-171.8-55.1179.8-169.700114.1
153G36.4Very low40.1Very low68 Ų68140.7 Ų140.770%0.70173%0.732SS**  cis120.576.617.800000109.2
154E44Very low41.2Very low186 Ų186139.3 Ų139.387%0.86972%0.721SS**SBendtrans69.8141.9162.6-59.4175169.500117.1
155D42.5Very low42.3Very low147 Ų147134.6 Ų134.679%0.78670%0.703SS**  trans76.165.5168.8-48.4-27.2000119.2
156A43.2Very low43.3Very low75 Ų75132 Ų13262%0.6269%0.685SS**  trans-113.3-3.2174.700000115.4
157D45.2Very low44.4Very low131 Ų131130.7 Ų130.770%0.70168%0.679SS**THydrogen-bonded Turntrans-77.8-22.2-178.5-71.3-22.7000112
158D45.4Very low45.8Very low141 Ų141130.7 Ų130.775%0.75467%0.668SS**THydrogen-bonded Turntrans-88.4-24.8179.1-72.3-30.6000113.5
159E48.2Very low47Very low125 Ų125127.8 Ų127.858%0.58466%0.664SS**Hα-helixtrans-79.9-18.8-179.6-65.2-153173.400113.9M163E159-M163 WeakPolarHBondContact O-CB 3.47Å; E159-M163 PolarHBondContact O-N 2.92Å; E159-M163 VanDerWaalsContact O-N 3.12Å
160E50.2Low48.1Very low127 Ų127126.6 Ų126.659%0.59365%0.653SS**Hα-helixtrans-74.2-34.9-177.7-143.8177.8-152.400111.9E164E160-E164 PolarHBondContact O-N 3.41Å
161E51.7Low49.5Very low158 Ų158128.8 Ų128.874%0.73865%0.649SS**Hα-helixtrans-77.1-34.6175-73.1-163.6168.300112.7A165E161-A165 WeakPolarHBondContact O-CB 3.27Å; E161-A165 PolarHBondContact O-N 2.9Å; E161-A165 VanDerWaalsContact O-N 3.07Å
162E49.9Very low50.6Low122 Ų122127.5 Ų127.557%0.5764%0.642SS**Hα-helixtrans-70-45.9179.4-167.8164.5-158.900111.4E164 A165 E166E162-E164 VanDerWaalsContact C-N 3.33Å; E162-E164 PolarHBondContact O-N 3.16Å; E162-A165 PolarHBondContact O-N 3.07Å; E162-E166 WeakPolarHBondContact O-CG 3.4Å; E162-E166 PolarHBondContact O-N 3.23Å
163M51.2Low51.8Low95 Ų95124.8 Ų124.847%0.46863%0.629SS.*Hα-helixtrans-62.4-36.7176.1-88.5-157.9-80.500113.2E159 H167E159-M163 WeakPolarHBondContact O-CB 3.47Å; E159-M163 PolarHBondContact O-N 2.92Å; E159-M163 VanDerWaalsContact O-N 3.12Å; M163-H167 WeakPolarHBondContact O-CB 3.46Å; M163-H167 PolarHBondContact O-N 3.23Å
164E53.2Low52.7Low115 Ų115128.2 Ų128.254%0.53763%0.627SS.*Hα-helixtrans-74.5-31179.3-144.7-169.3-142.600111.7E160 E162 R168E160-E164 PolarHBondContact O-N 3.41Å; E162-E164 VanDerWaalsContact C-N 3.33Å; E162-E164 PolarHBondContact O-N 3.16Å; E164-R168 WeakPolarHBondContact O-CG 3.5Å; E164-R168 PolarHBondContact O-N 2.93Å; E164-R168 PolarHBondContact O-NE 3.43Å; E164-R168 IonicContact OE2-CZ 3.42Å; E164-R168 IonicContact OE2-NH1 3.71Å; E164-R168 PolarHBondContact OE2-NH1 3Å; E164-R168 IonicContact OE2-NH2 3.23Å; E164-R168 PolarHBondContact OE2-NH2 3.44Å
165A56.1Low53.4Low48 Ų48125.8 Ų125.840%0.39762%0.615SS.*Hα-helixtrans-69.5-45.8172.300000112.2E161 E162 H167 R168 Q169E161-A165 WeakPolarHBondContact O-CB 3.27Å; E161-A165 PolarHBondContact O-N 2.9Å; E161-A165 VanDerWaalsContact O-N 3.07Å; E162-A165 PolarHBondContact O-N 3.07Å; A165-H167 VanDerWaalsContact C-N 3.34Å; A165-H167 PolarHBondContact O-N 3.47Å; A165-R168 PolarHBondContact O-N 3.32Å; A165-Q169 PolarHBondContact O-N 3Å
166E54.3Low54.3Low110 Ų110124.5 Ų124.551%0.51460%0.604SS.*Hα-helixtrans-63.1-39.4176.6-72.4-167151.800112E162 Q169 H170E162-E166 WeakPolarHBondContact O-CG 3.4Å; E162-E166 PolarHBondContact O-N 3.23Å; E166-Q169 PolarHBondContact O-N 3.48Å; E166-H170 PolarHBondContact O-N 3.22Å
167H58Low54.6Low115 Ų115125.8 Ų125.853%0.53260%0.597SS.*Hα-helixtrans-67.4-38.1178.4-155.173.5000112.4M163 A165 Q169 H170 H171M163-H167 WeakPolarHBondContact O-CB 3.46Å; M163-H167 PolarHBondContact O-N 3.23Å; A165-H167 VanDerWaalsContact C-N 3.34Å; A165-H167 PolarHBondContact O-N 3.47Å; H167-Q169 VanDerWaalsContact C-N 3.31Å; H167-Q169 PolarHBondContact O-N 3.06Å; H167-H170 PolarHBondContact O-N 3.37Å; H167-H171 PolarHBondContact O-N 3.17Å
168R61.5Low55.1Low146 Ų146124.4 Ų124.455%0.55159%0.586SS**Hα-helixtrans-62.9-38.4171.8-77.8-176-76-111-0.5111.6E164 A165 H172E164-R168 WeakPolarHBondContact O-CG 3.5Å; E164-R168 PolarHBondContact O-N 2.93Å; E164-R168 PolarHBondContact O-NE 3.43Å; E164-R168 IonicContact OE2-CZ 3.42Å; E164-R168 IonicContact OE2-NH1 3.71Å; E164-R168 PolarHBondContact OE2-NH1 3Å; E164-R168 IonicContact OE2-NH2 3.23Å; E164-R168 PolarHBondContact OE2-NH2 3.44Å; A165-R168 PolarHBondContact O-N 3.32Å; R168-H172 PolarHBondContact O-N 3.36Å; R168-H172 VanDerWaalsContact O-N 3.15Å
169Q60.6Low55.6Low145 Ų145122.5 Ų122.568%0.67857%0.573SS**Hα-helixtrans-70.4-42.1179.4-144.317030.900111.9A165 E166 H167 H171 H172 H173A165-Q169 PolarHBondContact O-N 3Å; E166-Q169 PolarHBondContact O-N 3.48Å; H167-Q169 VanDerWaalsContact C-N 3.31Å; H167-Q169 PolarHBondContact O-N 3.06Å; Q169-H171 PolarHBondContact O-N 3.42Å; Q169-H172 PolarHBondContact O-N 2.88Å; Q169-H173 WeakPolarHBondContact O-CB 2.92Å; Q169-H173 PolarHBondContact O-N 3.14Å
170H56.4Low55.8Low144 Ų144121.5 Ų121.567%0.66757%0.568SS**Hα-helixtrans-61-42.2173.7-98.4-95.1000112.5E166 H167 H172 H173 H174E166-H170 PolarHBondContact O-N 3.22Å; H167-H170 PolarHBondContact O-N 3.37Å; H170-H172 VanDerWaalsContact C-N 3.34Å; H170-H172 PolarHBondContact O-N 3.36Å; H170-H173 PolarHBondContact O-N 3.19Å; H170-H174 WeakPolarHBondContact O-CB 3.48Å; H170-H174 PolarHBondContact O-N 3.24Å
171H62.2Low55.9Low132 Ų132121 Ų12161%0.61157%0.566SS**Hα-helixtrans-65.4-38.7178.1-151.371000111.7H167 Q169 H175H167-H171 PolarHBondContact O-N 3.17Å; Q169-H171 PolarHBondContact O-N 3.42Å; H171-H175 WeakPolarHBondContact O-CB 3.45Å; H171-H175 PolarHBondContact O-N 3.45Å
172H60.6Low56Low154 Ų154119.1 Ų119.171%0.71356%0.557SS**Hα-helixtrans-67.6-40.5175.2-123.257.1000112.6R168 Q169 H170 H175 H176R168-H172 PolarHBondContact O-N 3.36Å; R168-H172 VanDerWaalsContact O-N 3.15Å; Q169-H172 PolarHBondContact O-N 2.88Å; H170-H172 VanDerWaalsContact C-N 3.34Å; H170-H172 PolarHBondContact O-N 3.36Å; H172-H175 PolarHBondContact O-N 3.06Å; H172-H176 WeakPolarHBondContact O-CB 3.05Å; H172-H176 PolarHBondContact O-N 3.32Å
173H56.5Low56Low137 Ų137118.4 Ų118.463%0.63455%0.554SS**Hα-helixtrans-66.8-40.9179.8-152.578.7000111.9Q169 H170 H176 H177Q169-H173 WeakPolarHBondContact O-CB 2.92Å; Q169-H173 PolarHBondContact O-N 3.14Å; H170-H173 PolarHBondContact O-N 3.19Å; H173-H176 PolarHBondContact O-N 3.46Å; H173-H177 WeakPolarHBondContact O-CB 3.35Å; H173-H177 PolarHBondContact O-N 3.33Å
174H56.5Low55.7Low139 Ų139120.4 Ų120.464%0.64456%0.561SS**Hα-helixtrans-65.9-40.2177.3-16268.3000112H170 H176 H177 H178H170-H174 WeakPolarHBondContact O-CB 3.48Å; H170-H174 PolarHBondContact O-N 3.24Å; H174-H176 VanDerWaalsContact C-N 3.34Å; H174-H176 PolarHBondContact O-N 2.69Å; H174-H177 PolarHBondContact O-N 3.15Å; H174-H178 WeakPolarHBondContact O-CB 2.88Å; H174-H178 PolarHBondContact O-N 3.13Å
175H59Low55.4Low135 Ų135121.5 Ų121.563%0.62557%0.57SS**Hα-helixtrans-68-34.6177.7-137.1-51.9000112.5H171 H172 H179H171-H175 WeakPolarHBondContact O-CB 3.45Å; H171-H175 PolarHBondContact O-N 3.45Å; H172-H175 PolarHBondContact O-N 3.06Å; H175-H179 PolarHBondContact O-N 3.29Å
176H60.2Low54.9Low121 Ų121127.1 Ų127.156%0.5659%0.588SS**Hα-helixtrans-71.9-41.2176.2-164.936.2000112.1H172 H173 H174 H178 H179 Q180H172-H176 WeakPolarHBondContact O-CB 3.05Å; H172-H176 PolarHBondContact O-N 3.32Å; H173-H176 PolarHBondContact O-N 3.46Å; H174-H176 VanDerWaalsContact C-N 3.34Å; H174-H176 PolarHBondContact O-N 2.69Å; H176-H178 VanDerWaalsContact C-N 3.34Å; H176-H178 PolarHBondContact O-N 2.91Å; H176-H179 PolarHBondContact O-N 3.47Å; H176-Q180 WeakPolarHBondContact O-CB 2.85Å; H176-Q180 PolarHBondContact O-N 3.12Å
177H50.7Low54.7Low101 Ų101127.3 Ų127.347%0.46860%0.597SS.*Hα-helixtrans-64.9-37.4177.2-160.9-57.1000112.1H173 H174 Q181H173-H177 WeakPolarHBondContact O-CB 3.35Å; H173-H177 PolarHBondContact O-N 3.33Å; H174-H177 PolarHBondContact O-N 3.15Å; H177-Q181 WeakPolarHBondContact O-CB 3.4Å; H177-Q181 PolarHBondContact O-N 2.9Å
178H54.5Low53.9Low103 Ų103128.7 Ų128.748%0.47761%0.608SS.*Hα-helixtrans-69.5-34.2175.7-162.5-62000112.2H174 H176 Q182H174-H178 WeakPolarHBondContact O-CB 2.88Å; H174-H178 PolarHBondContact O-N 3.13Å; H176-H178 VanDerWaalsContact C-N 3.34Å; H176-H178 PolarHBondContact O-N 2.91Å; H178-Q182 PolarHBondContact O-N 3.09Å
179H55.5Low53.2Low101 Ų101127.1 Ų127.147%0.46862%0.615SS.*Hα-helixtrans-72.8-37.7176-162.164.3000112.1H175 H176 Q182 Q183H175-H179 PolarHBondContact O-N 3.29Å; H176-H179 PolarHBondContact O-N 3.47Å; H179-Q182 PolarHBondContact O-N 3.36Å; H179-Q183 PolarHBondContact CD2-NE2 3.05Å; H179-Q183 PolarHBondContact NE2-NE2 3.09Å; H179-Q183 PolarHBondContact O-N 3.37Å
180Q52.8Low52.6Low104 Ų104129.4 Ų129.449%0.48663%0.625SS.*Hα-helixtrans-69.5-36.9177-170.2171.272.600112.4H176 Q182 Q183 H184H176-Q180 WeakPolarHBondContact O-CB 2.85Å; H176-Q180 PolarHBondContact O-N 3.12Å; Q180-Q182 VanDerWaalsContact C-N 3.3Å; Q180-Q182 PolarHBondContact O-N 3.29Å; Q180-Q183 PolarHBondContact O-N 2.91Å; Q180-H184 PolarHBondContact O-N 3.16Å
181Q52.3Low51.6Low116 Ų116128.4 Ų128.454%0.54263%0.633SS.*Hα-helixtrans-67.1-32.6175.8-163170.68500112H177 L185H177-Q181 WeakPolarHBondContact O-CB 3.4Å; H177-Q181 PolarHBondContact O-N 2.9Å; Q181-L185 WeakPolarHBondContact O-CD1 3.45Å; Q181-L185 PolarHBondContact O-N 3.46Å
182Q54.1Low50.7Low119 Ų119129.1 Ų129.156%0.55665%0.647SS**Hα-helixtrans-72.9-30.8176.3-150.9160.770.300112.4H178 H179 Q180H178-Q182 PolarHBondContact O-N 3.09Å; H179-Q182 PolarHBondContact O-N 3.36Å; Q180-Q182 VanDerWaalsContact C-N 3.3Å; Q180-Q182 PolarHBondContact O-N 3.29Å
183Q50.5Low49.7Very low107 Ų107126.6 Ų126.650%0.565%0.646SS.*Hα-helixtrans-77.6-33.8173.5-68.6-177.729.400113.2H179 Q180 L185 E186H179-Q183 PolarHBondContact CD2-NE2 3.05Å; H179-Q183 PolarHBondContact NE2-NE2 3.09Å; H179-Q183 PolarHBondContact O-N 3.37Å; Q180-Q183 PolarHBondContact O-N 2.91Å; Q183-L185 PolarHBondContact O-N 2.94Å; Q183-E186 PolarHBondContact O-N 2.94Å
184H45.1Very low49.4Very low136 Ų136129.1 Ų129.163%0.6366%0.658SS**Hα-helixtrans-67.7-22.9175.6-99.6-87.8000113.5Q180 E186Q180-H184 PolarHBondContact O-N 3.16Å; H184-E186 VanDerWaalsContact C-N 3.31Å
185L45.6Very low48.8Very low138 Ų138128.6 Ų128.672%0.72367%0.665SS**THydrogen-bonded Turntrans-74.6-16.3175.2-90.7150.6000113.7Q181 Q183Q181-L185 WeakPolarHBondContact O-CD1 3.45Å; Q181-L185 PolarHBondContact O-N 3.46Å; Q183-L185 PolarHBondContact O-N 2.94Å
186E46Very low48.1Very low166 Ų166129 Ų12978%0.77668%0.676SS**THydrogen-bonded Turntrans-94.8-7.2-179-71.9-171.5158.800114.4Q183 H184Q183-E186 PolarHBondContact O-N 2.94Å; H184-E186 VanDerWaalsContact C-N 3.31Å
187V49.3Very low47.4Very low115 Ų115126.9 Ų126.970%0.69768%0.68SS**THydrogen-bonded Turntrans-108.7-22.8-169.8-178.30000115.7
188D40.9Very low47.7Very low144 Ų144126.3 Ų126.377%0.7769%0.692SS**  trans-108.177.5-178.2-82.8-38.1000113
189T47.3Very low48.1Very low113 Ų113127.8 Ų127.869%0.69371%0.708SS**  trans-11135.5170.6-33.10000112.6
190H47.5Very low48.5Very low192 Ų192127 Ų12789%0.88971%0.71SS**  trans-149.476.8169.6-85.5-61.8000112.9
191C36.2Very low49.7Very low124 Ų124125.7 Ų125.784%0.83871%0.711SS**  trans-158.4108.5147.8-154.90000109.6
192V43.3Very low50.7Low147 Ų147129.8 Ų129.889%0.89172%0.721SS**  trans-85.6118.1172.9-144.40000106.6
193S40.1Very low51.7Low101 Ų101128.2 Ų128.271%0.70672%0.72SS**  trans-144.193.2163.6-140.90000110.1V195S193-V195 PolarHBondContact O-N 3.02Å
194E49.4Very low53.1Low190 Ų190127.6 Ų127.689%0.88872%0.719SS**  trans20.684.2140.3-148.5166.3-14900116.8
195V43.8Very low54.9Low128 Ų128128.3 Ų128.378%0.77672%0.718SS**  trans-127.1127.9152.6-164.60000105.5S193 A197S193-V195 PolarHBondContact O-N 3.02Å; V195-A197 PolarHBondContact O-N 2.72Å
196V44.5Very low56.7Low144 Ų144126.8 Ų126.887%0.87371%0.707SS**  trans-59.492.9176.7-177.40000107.5A198V196-A198 PolarHBondContact O-N 2.71Å; V196-A198 VanDerWaalsContact O-N 3.07Å
197A46.5Very low58.6Low76 Ų76124.4 Ų124.463%0.62870%0.696SS**  trans-68.7110.3-176.500000107.1V195 V199V195-A197 PolarHBondContact O-N 2.72Å; A197-V199 WeakPolarHBondContact O-CG2 3.47Å; A197-V199 PolarHBondContact O-N 3.18Å
198A56.3Low60.5Low89 Ų89124.5 Ų124.574%0.73669%0.691SS**  trans-52.8106.6166.500000107V196 V200V196-A198 PolarHBondContact O-N 2.71Å; V196-A198 VanDerWaalsContact O-N 3.07Å; A198-V200 PolarHBondContact O-N 2.94Å
199V63.2Low62.9Low133 Ų133120.2 Ų120.281%0.80667%0.671SS**  trans-72.688.4-178.5179.60000106.7A197 P201A197-V199 WeakPolarHBondContact O-CG2 3.47Å; A197-V199 PolarHBondContact O-N 3.18Å; V199-P201 WeakPolarHBondContact O-CD 3.35Å
200V63.5Low64.9Low84 Ų84120.8 Ų120.851%0.50967%0.665SS.*  trans-61124.9168.9-179.90000106.6A198 R202 L204A198-V200 PolarHBondContact O-N 2.94Å; V200-R202 PolarHBondContact O-N 2.9Å; V200-L204 HydrophobicContact CG1-CB 4.11Å
201P78.8Confident66.9Low77 Ų77114.8 Ų114.850%0.565%0.645SS.*  trans-49.1126.6175.1-28.334.4000110.5V199 V203 L204 Y205V199-P201 WeakPolarHBondContact O-CD 3.35Å; P201-V203 PolarHBondContact O-N 3.31Å; P201-L204 HydrophobicContact CB-CD1 4.33Å; P201-L204 HydrophobicContact CB-CG 4.36Å; P201-L204 HydrophobicContact CG-CD1 4.14Å; P201-L204 PolarHBondContact O-N 3.22Å; P201-Y205 PolarHBondContact O-N 3.09Å
202R72.2Confident69.5Low202 Ų202115.7 Ų115.776%0.76263%0.632SS**Hα-helixtrans-50.4-34.7-174.7-77.3-179.7175.6-94.5-1.5113.4V200 L204 Y205 E206V200-R202 PolarHBondContact O-N 2.9Å; R202-L204 PolarHBondContact O-N 3.36Å; R202-Y205 PolarHBondContact O-N 2.62Å; R202-E206 WeakPolarHBondContact O-CG 3.36Å; R202-E206 PolarHBondContact O-N 3.49Å
203V75.9Confident71.7Confident87 Ų87115.5 Ų115.553%0.52762%0.615SS.*Hα-helixtrans-61.1-42.5177.6-175.80000111.9P201 Y205 E206 E207P201-V203 PolarHBondContact O-N 3.31Å; V203-Y205 VanDerWaalsContact C-N 3.35Å; V203-Y205 PolarHBondContact O-N 3.43Å; V203-E206 PolarHBondContact O-N 3.05Å; V203-E207 WeakPolarHBondContact O-CB 3.37Å; V203-E207 WeakPolarHBondContact O-CG 3.36Å; V203-E207 PolarHBondContact O-N 3.06Å
204L79.3Confident74.2Confident94 Ų94116 Ų11649%0.49261%0.606SS.*Hα-helixtrans-70.4-32.8178.2-64.4178.3000112V200 P201 R202 L208V200-L204 HydrophobicContact CG1-CB 4.11Å; P201-L204 HydrophobicContact CB-CD1 4.33Å; P201-L204 HydrophobicContact CB-CG 4.36Å; P201-L204 HydrophobicContact CG-CD1 4.14Å; P201-L204 PolarHBondContact O-N 3.22Å; R202-L204 PolarHBondContact O-N 3.36Å; L204-L208 VanDerWaalsContact O-CB 3.29Å; L204-L208 WeakPolarHBondContact O-CB 3.45Å; L204-L208 PolarHBondContact O-N 2.89Å
205Y83.5Confident76Confident151 Ų151112.8 Ų112.859%0.59259%0.591SS**Hα-helixtrans-69-42.5173.6177.9-97.5000111.5P201 R202 V203 L208 V209P201-Y205 PolarHBondContact O-N 3.09Å; R202-Y205 PolarHBondContact O-N 2.62Å; V203-Y205 VanDerWaalsContact C-N 3.35Å; V203-Y205 PolarHBondContact O-N 3.43Å; Y205-L208 PolarHBondContact O-N 2.94Å; Y205-V209 HydrophobicContact CD1-CG2 4.2Å; Y205-V209 HydrophobicContact CE1-CG2 3.79Å; Y205-V209 HydrophobicContact CE2-CG2 4.18Å; Y205-V209 WeakPolarHBondContact O-CB 3.45Å; Y205-V209 VanDerWaalsContact O-CG2 3.26Å; Y205-V209 WeakPolarHBondContact O-CG2 3.34Å; Y205-V209 PolarHBondContact O-N 3.26Å
206E84.1Confident78.2Confident106 Ų106109.5 Ų109.550%0.49557%0.567SS.*Hα-helixtrans-63.2-43.2175.8-73.6167.1-167.400111.5R202 V203 V209 H210R202-E206 WeakPolarHBondContact O-CG 3.36Å; R202-E206 PolarHBondContact O-N 3.49Å; V203-E206 PolarHBondContact O-N 3.05Å; E206-V209 PolarHBondContact O-N 3.24Å; E206-H210 WeakPolarHBondContact O-CB 3.43Å; E206-H210 PolarHBondContact O-CD2 3.12Å; E206-H210 PolarHBondContact O-N 2.92Å
207E85Confident80.5Confident115 Ų115106.9 Ų106.954%0.53755%0.546SS..Hα-helixtrans-61.5-43.2173.6-75173.8-17800112.2V203 H210 S211V203-E207 WeakPolarHBondContact O-CB 3.37Å; V203-E207 WeakPolarHBondContact O-CG 3.36Å; V203-E207 PolarHBondContact O-N 3.06Å; E207-H210 PolarHBondContact O-N 2.96Å; E207-S211 WeakPolarHBondContact O-CB 3.47Å; E207-S211 PolarHBondContact O-N 3Å
208L89.6Confident82.6Confident117 Ų117107.6 Ų107.661%0.61354%0.536SS*.Hα-helixtrans-64.3-41.9177.1-176.164000112L204 Y205 S211 Y212L204-L208 VanDerWaalsContact O-CB 3.29Å; L204-L208 WeakPolarHBondContact O-CB 3.45Å; L204-L208 PolarHBondContact O-N 2.89Å; Y205-L208 PolarHBondContact O-N 2.94Å; L208-S211 PolarHBondContact O-N 3.4Å; L208-Y212 WeakPolarHBondContact O-CB 3.47Å; L208-Y212 PolarHBondContact O-N 3.06Å
209V90.6Very high84.1Confident55 Ų55108.2 Ų108.233%0.33353%0.525SS..Hα-helixtrans-65.2-39.9176.5169.30000111.1Y205 E206 R213Y205-V209 HydrophobicContact CD1-CG2 4.2Å; Y205-V209 HydrophobicContact CE1-CG2 3.79Å; Y205-V209 HydrophobicContact CE2-CG2 4.18Å; Y205-V209 WeakPolarHBondContact O-CB 3.45Å; Y205-V209 VanDerWaalsContact O-CG2 3.26Å; Y205-V209 WeakPolarHBondContact O-CG2 3.34Å; Y205-V209 PolarHBondContact O-N 3.26Å; E206-V209 PolarHBondContact O-N 3.24Å; V209-R213 WeakPolarHBondContact O-CB 3.43Å; V209-R213 PolarHBondContact O-N 3.43Å
210H90.5Very high85.4Confident125 Ų125108.4 Ų108.458%0.57951%0.511SS*.Hα-helixtrans-65.6-42.6174.7-80.8-59.1000112.2E206 E207 R213 Q214E206-H210 WeakPolarHBondContact O-CB 3.43Å; E206-H210 PolarHBondContact O-CD2 3.12Å; E206-H210 PolarHBondContact O-N 2.92Å; E207-H210 PolarHBondContact O-N 2.96Å; H210-R213 PolarHBondContact O-N 2.67Å; H210-Q214 WeakPolarHBondContact O-CB 3.49Å; H210-Q214 PolarHBondContact O-N 3.26Å
211S88.7Confident86.9Confident66 Ų66111.7 Ų111.746%0.46251%0.514SS..Hα-helixtrans-63.1-44.2176.1178.70000112E207 L208 R213 Q214 Q215E207-S211 WeakPolarHBondContact O-CB 3.47Å; E207-S211 PolarHBondContact O-N 3Å; L208-S211 PolarHBondContact O-N 3.4Å; S211-R213 PolarHBondContact O-N 3.15Å; S211-Q214 PolarHBondContact O-N 3.24Å; S211-Q215 WeakPolarHBondContact O-CB 3.27Å; S211-Q215 PolarHBondContact O-N 2.99Å
212Y89.8Confident87.6Confident143 Ų143113.3 Ų113.356%0.56152%0.518SS*.Hα-helixtrans-63.1-42.8176.6-174.5-98.2000111.8L208 Q214 Q215 E216L208-Y212 WeakPolarHBondContact O-CB 3.47Å; L208-Y212 PolarHBondContact O-N 3.06Å; Y212-Q214 VanDerWaalsContact C-N 3.35Å; Y212-Q214 PolarHBondContact O-N 2.93Å; Y212-Q215 WeakPolarHBondContact O-CB 3.49Å; Y212-Q215 PolarHBondContact O-N 3.04Å; Y212-E216 HydrophobicContact CD1-CG 4.28Å; Y212-E216 VanDerWaalsContact CE1-CD 3.5Å; Y212-E216 HydrophobicContact CE1-CG 3.89Å; Y212-E216 WeakPolarHBondContact CE1-OE1 3.44Å; Y212-E216 PolarHBondContact O-N 3.29Å; Y212-E216 PolarHBondContact OH-OE1 3.28Å
213R90.5Very high88.4Confident143 Ų143109.1 Ų109.154%0.5451%0.507SS..Hα-helixtrans-62.7-41.7175.6-172.8-176.5-62.2-150.7-0.9112V209 H210 S211 Q215 E216 E217V209-R213 WeakPolarHBondContact O-CB 3.43Å; V209-R213 PolarHBondContact O-N 3.43Å; H210-R213 PolarHBondContact O-N 2.67Å; S211-R213 PolarHBondContact O-N 3.15Å; R213-Q215 VanDerWaalsContact C-N 3.32Å; R213-E216 PolarHBondContact O-N 2.94Å; R213-E217 PolarHBondContact O-N 3.4Å; R213-E217 VanDerWaalsContact O-N 3.07Å
214Q91.8Very high89.2Confident112 Ų112110.1 Ų110.152%0.52351%0.506SS..Hα-helixtrans-61.5-44.2175.3-178.5179.8-13.600110.8H210 S211 Y212 E216 E217 E218H210-Q214 WeakPolarHBondContact O-CB 3.49Å; H210-Q214 PolarHBondContact O-N 3.26Å; S211-Q214 PolarHBondContact O-N 3.24Å; Y212-Q214 VanDerWaalsContact C-N 3.35Å; Y212-Q214 PolarHBondContact O-N 2.93Å; Q214-E216 VanDerWaalsContact C-N 3.33Å; Q214-E216 PolarHBondContact O-N 3.25Å; Q214-E217 PolarHBondContact O-N 2.89Å; Q214-E217 VanDerWaalsContact O-N 3.16Å; Q214-E218 PolarHBondContact NE2-OE1 3.44Å; Q214-E218 WeakPolarHBondContact O-CG 3.31Å; Q214-E218 PolarHBondContact O-N 3.16Å
215Q88.4Confident89.8Confident121 Ų121110.8 Ų110.857%0.56551%0.507SS*.Hα-helixtrans-62.7-37.6177.4-169.4175.4-1.100112.2S211 Y212 R213 E218 M219S211-Q215 WeakPolarHBondContact O-CB 3.27Å; S211-Q215 PolarHBondContact O-N 2.99Å; Y212-Q215 WeakPolarHBondContact O-CB 3.49Å; Y212-Q215 PolarHBondContact O-N 3.04Å; R213-Q215 VanDerWaalsContact C-N 3.32Å; Q215-E218 PolarHBondContact O-N 3.15Å; Q215-M219 VanDerWaalsContact O-CB 3.3Å; Q215-M219 WeakPolarHBondContact O-CB 3.34Å; Q215-M219 PolarHBondContact O-N 3.02Å
216E89.3Confident90.1Very high60 Ų60109.3 Ų109.328%0.2851%0.508SS..Hα-helixtrans-66.1-35.1173.6-74.9-172.1153.900113.3Y212 R213 Q214 R220Y212-E216 HydrophobicContact CD1-CG 4.28Å; Y212-E216 VanDerWaalsContact CE1-CD 3.5Å; Y212-E216 HydrophobicContact CE1-CG 3.89Å; Y212-E216 WeakPolarHBondContact CE1-OE1 3.44Å; Y212-E216 PolarHBondContact O-N 3.29Å; Y212-E216 PolarHBondContact OH-OE1 3.28Å; R213-E216 PolarHBondContact O-N 2.94Å; Q214-E216 VanDerWaalsContact C-N 3.33Å; Q214-E216 PolarHBondContact O-N 3.25Å; E216-R220 WeakPolarHBondContact O-CB 3.45Å; E216-R220 WeakPolarHBondContact O-CG 3.43Å; E216-R220 PolarHBondContact O-N 3.25Å; E216-R220 VanDerWaalsContact O-N 3.09Å; E216-R220 PolarHBondContact O-NE 3.06Å
217E92.2Very high90.4Very high89 Ų89107.5 Ų107.542%0.41650%0.5SS..Hα-helixtrans-70.7-41.1174.5-72.9-179.1-164.900111.4R213 Q214 R220 R221R213-E217 PolarHBondContact O-N 3.4Å; R213-E217 VanDerWaalsContact O-N 3.07Å; Q214-E217 PolarHBondContact O-N 2.89Å; Q214-E217 VanDerWaalsContact O-N 3.16Å; E217-R220 PolarHBondContact O-N 3.45Å; E217-R221 WeakPolarHBondContact O-CG 3.38Å; E217-R221 PolarHBondContact O-N 3.15Å
218E91.7Very high90.7Very high91 Ų91108.3 Ų108.343%0.42550%0.498SS..Hα-helixtrans-63.4-44.8174.6-73.7178-174.500111.3Q214 Q215 R220 R221 L222Q214-E218 PolarHBondContact NE2-OE1 3.44Å; Q214-E218 WeakPolarHBondContact O-CG 3.31Å; Q214-E218 PolarHBondContact O-N 3.16Å; Q215-E218 PolarHBondContact O-N 3.15Å; E218-R220 VanDerWaalsContact C-N 3.29Å; E218-R220 PolarHBondContact O-N 3.13Å; E218-R221 PolarHBondContact O-N 2.95Å; E218-R221 VanDerWaalsContact O-N 3.12Å; E218-L222 WeakPolarHBondContact O-CG 3.21Å; E218-L222 PolarHBondContact O-N 3.45Å
219M86.6Confident90.8Very high102 Ų102105.2 Ų105.250%0.50248%0.484SS..Hα-helixtrans-59-40.8174.5-176176.959.300111.6Q215 Q223Q215-M219 VanDerWaalsContact O-CB 3.3Å; Q215-M219 WeakPolarHBondContact O-CB 3.34Å; Q215-M219 PolarHBondContact O-N 3.02Å; M219-Q223 WeakPolarHBondContact O-CB 3.48Å; M219-Q223 VanDerWaalsContact O-CG 3.31Å; M219-Q223 WeakPolarHBondContact O-CG 3.1Å; M219-Q223 PolarHBondContact O-N 3.32Å
220R92.3Very high90.7Very high137 Ų137108.6 Ų108.652%0.51749%0.491SS..Hα-helixtrans-66.2-38.3174.8-84.8-174.9-92.1-163.8-10.8113E216 E217 E218 Q224E216-R220 WeakPolarHBondContact O-CB 3.45Å; E216-R220 WeakPolarHBondContact O-CG 3.43Å; E216-R220 PolarHBondContact O-N 3.25Å; E216-R220 VanDerWaalsContact O-N 3.09Å; E216-R220 PolarHBondContact O-NE 3.06Å; E217-R220 PolarHBondContact O-N 3.45Å; E218-R220 VanDerWaalsContact C-N 3.29Å; E218-R220 PolarHBondContact O-N 3.13Å; R220-Q224 WeakPolarHBondContact O-CG 3.35Å; R220-Q224 PolarHBondContact O-N 3.16Å; R220-Q224 VanDerWaalsContact O-N 3.13Å
221R93.6Very high90.7Very high152 Ų152110 Ų11057%0.57449%0.491SS*.Hα-helixtrans-65.2-47.5175.7-72.6177.6-169.5178.37.9111.1E217 E218 Q223 Q224 E225E217-R221 WeakPolarHBondContact O-CG 3.38Å; E217-R221 PolarHBondContact O-N 3.15Å; E218-R221 PolarHBondContact O-N 2.95Å; E218-R221 VanDerWaalsContact O-N 3.12Å; R221-Q223 VanDerWaalsContact C-N 3.31Å; R221-Q223 PolarHBondContact O-N 2.9Å; R221-Q224 WeakPolarHBondContact O-CB 3.12Å; R221-Q224 PolarHBondContact O-N 3.38Å; R221-Q224 VanDerWaalsContact O-N 3.09Å; R221-E225 PolarHBondContact O-N 2.89Å
222L93.8Very high90.8Very high111 Ų111111.4 Ų111.458%0.58149%0.491SS*.Hα-helixtrans-58.9-42176.5-73.9169.4000111.8E218 Q224 E225 L226E218-L222 WeakPolarHBondContact O-CG 3.21Å; E218-L222 PolarHBondContact O-N 3.45Å; L222-Q224 VanDerWaalsContact C-N 3.34Å; L222-Q224 PolarHBondContact O-N 3.27Å; L222-E225 PolarHBondContact O-N 3.24Å; L222-L226 WeakPolarHBondContact O-CB 3.46Å; L222-L226 PolarHBondContact O-N 3Å
223Q90.2Very high90.9Very high115 Ų115110.1 Ų110.154%0.53749%0.492SS..Hα-helixtrans-60.8-40.9174.6-79.4174.7-15.900112.6M219 R221 E227M219-Q223 WeakPolarHBondContact O-CB 3.48Å; M219-Q223 VanDerWaalsContact O-CG 3.31Å; M219-Q223 WeakPolarHBondContact O-CG 3.1Å; M219-Q223 PolarHBondContact O-N 3.32Å; R221-Q223 VanDerWaalsContact C-N 3.31Å; R221-Q223 PolarHBondContact O-N 2.9Å; Q223-E227 WeakPolarHBondContact O-CB 3.37Å; Q223-E227 PolarHBondContact O-N 3.24Å
224Q92.1Very high90.9Very high108 Ų108106 Ų10651%0.50548%0.483SS..Hα-helixtrans-68.6-37.1176.5-70178.79.900112.5R220 R221 L222 E227 R228R220-Q224 WeakPolarHBondContact O-CG 3.35Å; R220-Q224 PolarHBondContact O-N 3.16Å; R220-Q224 VanDerWaalsContact O-N 3.13Å; R221-Q224 WeakPolarHBondContact O-CB 3.12Å; R221-Q224 PolarHBondContact O-N 3.38Å; R221-Q224 VanDerWaalsContact O-N 3.09Å; L222-Q224 VanDerWaalsContact C-N 3.34Å; L222-Q224 PolarHBondContact O-N 3.27Å; Q224-E227 PolarHBondContact O-N 3.01Å; Q224-R228 VanDerWaalsContact O-CG 3.32Å; Q224-R228 WeakPolarHBondContact O-CG 3.41Å; Q224-R228 PolarHBondContact O-N 3.43Å; Q224-R228 PolarHBondContact O-NH1 3.46Å
225E91.3Very high91Very high107 Ų107106.4 Ų106.450%0.549%0.485SS..Hα-helixtrans-65.4-45.2175-74.1174.5-172.400111.3R221 L222 E227 R228 T229R221-E225 PolarHBondContact O-N 2.89Å; L222-E225 PolarHBondContact O-N 3.24Å; E225-E227 VanDerWaalsContact C-N 3.28Å; E225-E227 PolarHBondContact O-N 3.43Å; E225-R228 WeakPolarHBondContact O-CB 3.35Å; E225-R228 PolarHBondContact O-N 2.89Å; E225-R228 VanDerWaalsContact O-N 3.09Å; E225-T229 WeakPolarHBondContact O-CG2 3.29Å; E225-T229 PolarHBondContact O-N 2.81Å; E225-T229 PolarHBondContact O-OG1 3.18Å
226L89.2Confident91Very high120 Ų120104.7 Ų104.763%0.62848%0.477SS*.Hα-helixtrans-58.3-40.1174.6-175.366.2000112.1L222 T229 R230L222-L226 WeakPolarHBondContact O-CB 3.46Å; L222-L226 PolarHBondContact O-N 3Å; L226-T229 WeakPolarHBondContact CA-OG1 3.5Å; L226-T229 PolarHBondContact O-N 3.29Å; L226-T229 PolarHBondContact O-OG1 2.93Å; L226-R230 VanDerWaalsContact O-CB 3.31Å; L226-R230 WeakPolarHBondContact O-CB 3.36Å; L226-R230 PolarHBondContact O-N 3.44Å
227E91.9Very high91Very high69 Ų69104.7 Ų104.732%0.32249%0.487SS..Hα-helixtrans-69.3-34.2177.4-178.455.6-154.900112.1Q223 Q224 E225 R231Q223-E227 WeakPolarHBondContact O-CB 3.37Å; Q223-E227 PolarHBondContact O-N 3.24Å; Q224-E227 PolarHBondContact O-N 3.01Å; E225-E227 VanDerWaalsContact C-N 3.28Å; E225-E227 PolarHBondContact O-N 3.43Å; E227-R231 VanDerWaalsContact O-CG 3.29Å; E227-R231 WeakPolarHBondContact O-CG 3.37Å; E227-R231 PolarHBondContact O-N 3.25Å; E227-R231 VanDerWaalsContact O-N 3.16Å; E227-R231 IonicContact OE1-CZ 2.64Å; E227-R231 IonicContact OE1-NE 2.95Å; E227-R231 PolarHBondContact OE1-NE 3.4Å; E227-R231 IonicContact OE1-NH2 2.7Å; E227-R231 PolarHBondContact OE1-NH2 2.94Å
228R91.7Very high90.9Very high132 Ų132106.7 Ų106.750%0.49850%0.495SS..Hα-helixtrans-66.4-46.4173.3-72.1175.9-167.2104.65111.2Q224 E225 R231 Q232Q224-R228 VanDerWaalsContact O-CG 3.32Å; Q224-R228 WeakPolarHBondContact O-CG 3.41Å; Q224-R228 PolarHBondContact O-N 3.43Å; Q224-R228 PolarHBondContact O-NH1 3.46Å; E225-R228 WeakPolarHBondContact O-CB 3.35Å; E225-R228 PolarHBondContact O-N 2.89Å; E225-R228 VanDerWaalsContact O-N 3.09Å; R228-R231 PolarHBondContact O-N 3.02Å; R228-Q232 WeakPolarHBondContact O-CG 3.33Å; R228-Q232 PolarHBondContact O-N 2.88Å; R228-Q232 VanDerWaalsContact O-N 3.09Å
229T90.2Very high90.9Very high52 Ų52108 Ų10832%0.31950%0.499SS..Hα-helixtrans-65.9-39.817957.40000111.3L144 E225 L226 R231 Q232 L233L144-T229 HydrophobicContact CD1-CG2 4.32Å; E225-T229 WeakPolarHBondContact O-CG2 3.29Å; E225-T229 PolarHBondContact O-N 2.81Å; E225-T229 PolarHBondContact O-OG1 3.18Å; L226-T229 WeakPolarHBondContact CA-OG1 3.5Å; L226-T229 PolarHBondContact O-N 3.29Å; L226-T229 PolarHBondContact O-OG1 2.93Å; T229-R231 VanDerWaalsContact C-N 3.32Å; T229-R231 PolarHBondContact O-N 3.5Å; T229-Q232 WeakPolarHBondContact O-CB 3.49Å; T229-Q232 PolarHBondContact O-N 3.1Å; T229-Q232 VanDerWaalsContact O-N 3.12Å; T229-L233 PolarHBondContact O-N 3.33Å
230R89.7Confident91.2Very high126 Ų126108.9 Ų108.948%0.47551%0.505SS..Hα-helixtrans-56.6-44.8173.6-171.2178.9-178.6173.92.5111.9L226 Q232 L233 V234L226-R230 VanDerWaalsContact O-CB 3.31Å; L226-R230 WeakPolarHBondContact O-CB 3.36Å; L226-R230 PolarHBondContact O-N 3.44Å; R230-Q232 VanDerWaalsContact C-N 3.34Å; R230-Q232 PolarHBondContact O-N 3.04Å; R230-L233 PolarHBondContact O-N 3.01Å; R230-V234 WeakPolarHBondContact O-CG2 3.31Å; R230-V234 PolarHBondContact O-N 2.77Å
231R89.6Confident91.2Very high153 Ų153110 Ų11058%0.57751%0.513SS*.Hα-helixtrans-64.4-37.8176.5-70.6170.3-169.1-164.61.7112.8E227 R228 T229 Q235E227-R231 VanDerWaalsContact O-CG 3.29Å; E227-R231 WeakPolarHBondContact O-CG 3.37Å; E227-R231 PolarHBondContact O-N 3.25Å; E227-R231 VanDerWaalsContact O-N 3.16Å; E227-R231 IonicContact OE1-CZ 2.64Å; E227-R231 IonicContact OE1-NE 2.95Å; E227-R231 PolarHBondContact OE1-NE 3.4Å; E227-R231 IonicContact OE1-NH2 2.7Å; E227-R231 PolarHBondContact OE1-NH2 2.94Å; R228-R231 PolarHBondContact O-N 3.02Å; T229-R231 VanDerWaalsContact C-N 3.32Å; T229-R231 PolarHBondContact O-N 3.5Å; R231-Q235 WeakPolarHBondContact O-CG 3.46Å; R231-Q235 PolarHBondContact O-N 2.75Å; R231-Q235 VanDerWaalsContact O-N 3.15Å
232Q91.9Very high91.2Very high97 Ų97109 Ų10945%0.45352%0.516SS..Hα-helixtrans-64.4-43.2175.3-70.4171.3-12.200111R228 T229 R230 V234 Q235 Q236R228-Q232 WeakPolarHBondContact O-CG 3.33Å; R228-Q232 PolarHBondContact O-N 2.88Å; R228-Q232 VanDerWaalsContact O-N 3.09Å; T229-Q232 WeakPolarHBondContact O-CB 3.49Å; T229-Q232 PolarHBondContact O-N 3.1Å; T229-Q232 VanDerWaalsContact O-N 3.12Å; R230-Q232 VanDerWaalsContact C-N 3.34Å; R230-Q232 PolarHBondContact O-N 3.04Å; Q232-V234 PolarHBondContact O-N 2.95Å; Q232-Q235 WeakPolarHBondContact O-CB 3.3Å; Q232-Q235 PolarHBondContact O-N 3.26Å; Q232-Q235 VanDerWaalsContact O-N 3.13Å; Q232-Q236 PolarHBondContact O-N 3.05Å
233L90.9Very high91.1Very high115 Ų115111.2 Ų111.260%0.60252%0.517SS*.Hα-helixtrans-61.3-43.1177.9-169.664.1000111.7T229 R230 Q235 Q236 A237T229-L233 PolarHBondContact O-N 3.33Å; R230-L233 PolarHBondContact O-N 3.01Å; L233-Q235 VanDerWaalsContact C-N 3.29Å; L233-Q235 PolarHBondContact O-N 2.82Å; L233-Q236 PolarHBondContact O-N 2.88Å; L233-Q236 VanDerWaalsContact O-N 3.14Å; L233-A237 PolarHBondContact O-N 2.87Å
234V91.6Very high91.2Very high56 Ų56107.5 Ų107.534%0.33951%0.509SS..Hα-helixtrans-60.5-39.6174.91720000111.5R230 Q232 A237 K238R230-V234 WeakPolarHBondContact O-CG2 3.31Å; R230-V234 PolarHBondContact O-N 2.77Å; Q232-V234 PolarHBondContact O-N 2.95Å; V234-A237 PolarHBondContact O-N 3.35Å; V234-K238 WeakPolarHBondContact O-CG 3.31Å; V234-K238 PolarHBondContact O-N 3.38Å
235Q91.9Very high91.3Very high121 Ų121105.9 Ų105.957%0.56551%0.51SS*.Hα-helixtrans-67.2-37.7175.6-70.6177.410.100112.4R231 Q232 L233 K238 K239R231-Q235 WeakPolarHBondContact O-CG 3.46Å; R231-Q235 PolarHBondContact O-N 2.75Å; R231-Q235 VanDerWaalsContact O-N 3.15Å; Q232-Q235 WeakPolarHBondContact O-CB 3.3Å; Q232-Q235 PolarHBondContact O-N 3.26Å; Q232-Q235 VanDerWaalsContact O-N 3.13Å; L233-Q235 VanDerWaalsContact C-N 3.29Å; L233-Q235 PolarHBondContact O-N 2.82Å; Q235-K238 PolarHBondContact O-N 3.11Å; Q235-K239 WeakPolarHBondContact O-CG 3.29Å; Q235-K239 PolarHBondContact O-N 2.74Å; Q235-K239 VanDerWaalsContact O-N 3.13Å
236Q89.1Confident91.5Very high85 Ų85105.3 Ų105.340%0.39751%0.51SS..Hα-helixtrans-64.9-43.1174.1-72-170.5-5.600111.5Q232 L233 K238 K239 L240Q232-Q236 PolarHBondContact O-N 3.05Å; L233-Q236 PolarHBondContact O-N 2.88Å; L233-Q236 VanDerWaalsContact O-N 3.14Å; Q236-K238 VanDerWaalsContact C-N 3.31Å; Q236-K238 PolarHBondContact O-N 3.16Å; Q236-K239 WeakPolarHBondContact O-CB 3.3Å; Q236-K239 PolarHBondContact O-N 2.91Å; Q236-K239 VanDerWaalsContact O-N 3.15Å; Q236-L240 PolarHBondContact O-N 2.79Å
237A88.8Confident91.7Very high60 Ų60105.4 Ų105.450%0.49651%0.51SS..Hα-helixtrans-59.1-40.8175.800000112.2L233 V234 L240 K241L233-A237 PolarHBondContact O-N 2.87Å; V234-A237 PolarHBondContact O-N 3.35Å; A237-L240 WeakPolarHBondContact O-CB 3.44Å; A237-L240 PolarHBondContact O-N 3.06Å; A237-K241 PolarHBondContact O-N 3.4Å
238K91.3Very high91.8Very high132 Ų132105.8 Ų105.857%0.57452%0.518SS*.Hα-helixtrans-61.4-45.8174.2-73.5179.9-178.5-176.20112.2V234 Q235 Q236 L240 K241 E242V234-K238 WeakPolarHBondContact O-CG 3.31Å; V234-K238 PolarHBondContact O-N 3.38Å; Q235-K238 PolarHBondContact O-N 3.11Å; Q236-K238 VanDerWaalsContact C-N 3.31Å; Q236-K238 PolarHBondContact O-N 3.16Å; K238-L240 VanDerWaalsContact C-N 3.29Å; K238-L240 PolarHBondContact O-N 2.8Å; K238-K241 WeakPolarHBondContact O-CB 3.44Å; K238-K241 PolarHBondContact O-N 3.15Å; K238-E242 PolarHBondContact O-N 3.45Å
239K91.9Very high92Very high118 Ų118104.4 Ų104.451%0.51352%0.517SS..Hα-helixtrans-60.6-39.6174.8-70.1175-178.31750111.7Q235 Q236 K241 E242 Y243Q235-K239 WeakPolarHBondContact O-CG 3.29Å; Q235-K239 PolarHBondContact O-N 2.74Å; Q235-K239 VanDerWaalsContact O-N 3.13Å; Q236-K239 WeakPolarHBondContact O-CB 3.3Å; Q236-K239 PolarHBondContact O-N 2.91Å; Q236-K239 VanDerWaalsContact O-N 3.15Å; K239-K241 VanDerWaalsContact C-N 3.34Å; K239-K241 PolarHBondContact O-N 3.02Å; K239-E242 WeakPolarHBondContact O-CB 3.15Å; K239-E242 PolarHBondContact O-N 3.38Å; K239-Y243 HydrophobicContact CB-CE2 4.33Å; K239-Y243 WeakPolarHBondContact O-CD2 3.32Å; K239-Y243 PolarHBondContact O-N 3.47Å
240L92.3Very high92.3Very high120 Ų120104.4 Ų104.463%0.62852%0.517SS*.Hα-helixtrans-63.8-39.9177.8-165.867.6000111.7Q236 A237 K238 Y243 G244Q236-L240 PolarHBondContact O-N 2.79Å; A237-L240 WeakPolarHBondContact O-CB 3.44Å; A237-L240 PolarHBondContact O-N 3.06Å; K238-L240 VanDerWaalsContact C-N 3.29Å; K238-L240 PolarHBondContact O-N 2.8Å; L240-Y243 PolarHBondContact O-N 2.78Å; L240-G244 PolarHBondContact O-N 3.02Å
241K93.2Very high92.6Very high160 Ų160105 Ų10570%0.69652%0.523SS*.Hα-helixtrans-61.8-41.7173.4-167.7172.9-176.5171.40111.8A237 K238 K239 G244 S245A237-K241 PolarHBondContact O-N 3.4Å; K238-K241 WeakPolarHBondContact O-CB 3.44Å; K238-K241 PolarHBondContact O-N 3.15Å; K239-K241 VanDerWaalsContact C-N 3.34Å; K239-K241 PolarHBondContact O-N 3.02Å; K241-G244 PolarHBondContact O-N 3.26Å; K241-S245 PolarHBondContact O-N 2.93Å
242E93.4Very high92.9Very high133 Ų133104.1 Ų104.162%0.62153%0.525SS*.Hα-helixtrans-62.2-44.1174.2-69.6172.4-172.500112.1K238 K239 G244 S245 L246K238-E242 PolarHBondContact O-N 3.45Å; K239-E242 WeakPolarHBondContact O-CB 3.15Å; K239-E242 PolarHBondContact O-N 3.38Å; E242-G244 VanDerWaalsContact C-N 3.31Å; E242-G244 PolarHBondContact O-N 3.38Å; E242-S245 WeakPolarHBondContact O-CB 3.46Å; E242-S245 PolarHBondContact O-N 3.47Å; E242-L246 PolarHBondContact O-N 3.39Å
243Y91.2Very high93.1Very high157 Ų157104.3 Ų104.362%0.61653%0.529SS*.Hα-helixtrans-62.2-37.7174.6-73.5-58.1000112.6K239 L240 L246 L247K239-Y243 HydrophobicContact CB-CE2 4.33Å; K239-Y243 WeakPolarHBondContact O-CD2 3.32Å; K239-Y243 PolarHBondContact O-N 3.47Å; L240-Y243 PolarHBondContact O-N 2.78Å; Y243-L246 PolarHBondContact O-N 3.35Å; Y243-L247 WeakPolarHBondContact O-CB 3.18Å; Y243-L247 PolarHBondContact O-N 2.84Å
244G92.6Very high93.3Very high36 Ų36107.1 Ų107.137%0.37153%0.531SS..Hα-helixtrans-59.1-47173.100000112.3L240 K241 E242 L247 T248L240-G244 PolarHBondContact O-N 3.02Å; K241-G244 PolarHBondContact O-N 3.26Å; E242-G244 VanDerWaalsContact C-N 3.31Å; E242-G244 PolarHBondContact O-N 3.38Å; G244-L247 WeakPolarHBondContact O-CB 3.45Å; G244-L247 PolarHBondContact O-N 3.26Å; G244-T248 PolarHBondContact O-N 3.47Å; G244-T248 VanDerWaalsContact O-N 3.12Å
245S93.5Very high93.4Very high75 Ų75106.7 Ų106.752%0.52453%0.527SS..Hα-helixtrans-59-49.5175-175.70000111.8K241 E242 L247 T248 E249K241-S245 PolarHBondContact O-N 2.93Å; E242-S245 WeakPolarHBondContact O-CB 3.46Å; E242-S245 PolarHBondContact O-N 3.47Å; S245-L247 VanDerWaalsContact C-N 3.26Å; S245-L247 PolarHBondContact O-N 2.96Å; S245-T248 PolarHBondContact O-N 3.36Å; S245-T248 PolarHBondContact O-OG1 3.14Å; S245-E249 PolarHBondContact O-N 3.25Å; S245-E249 VanDerWaalsContact O-N 3.09Å
246L95.1Very high93.6Very high95 Ų95106.8 Ų106.850%0.49753%0.526SS..Hα-helixtrans-59.7-37177.8-174.767.1000112.3E242 Y243 T248 E249 V250E242-L246 PolarHBondContact O-N 3.39Å; Y243-L246 PolarHBondContact O-N 3.35Å; L246-T248 VanDerWaalsContact C-N 3.33Å; L246-T248 PolarHBondContact O-N 2.93Å; L246-E249 PolarHBondContact O-N 2.92Å; L246-V250 VanDerWaalsContact O-CG2 3.31Å; L246-V250 WeakPolarHBondContact O-CG2 3.31Å; L246-V250 PolarHBondContact O-N 2.83Å
247L94.8Very high93.9Very high121 Ų121106.7 Ų106.763%0.63453%0.528SS*.Hα-helixtrans-64.9-37.6176.9-174.663.1000111.9Y243 G244 S245 K251Y243-L247 WeakPolarHBondContact O-CB 3.18Å; Y243-L247 PolarHBondContact O-N 2.84Å; G244-L247 WeakPolarHBondContact O-CB 3.45Å; G244-L247 PolarHBondContact O-N 3.26Å; S245-L247 VanDerWaalsContact C-N 3.26Å; S245-L247 PolarHBondContact O-N 2.96Å; L247-K251 PolarHBondContact O-N 2.85Å
248T94.1Very high94.2Very high77 Ų77109.8 Ų109.847%0.47253%0.527SS..Hα-helixtrans-65.2-44.3174.261.90000111.7G244 S245 L246 V250 K251 E252G244-T248 PolarHBondContact O-N 3.47Å; G244-T248 VanDerWaalsContact O-N 3.12Å; S245-T248 PolarHBondContact O-N 3.36Å; S245-T248 PolarHBondContact O-OG1 3.14Å; L246-T248 VanDerWaalsContact C-N 3.33Å; L246-T248 PolarHBondContact O-N 2.93Å; T248-V250 PolarHBondContact O-N 2.73Å; T248-K251 WeakPolarHBondContact O-CB 3.38Å; T248-K251 PolarHBondContact O-N 2.91Å; T248-K251 VanDerWaalsContact O-N 3.1Å; T248-E252 WeakPolarHBondContact O-CG 3.42Å; T248-E252 PolarHBondContact O-N 2.78Å
249E95.2Very high94.3Very high104 Ų104111.5 Ų111.549%0.48653%0.53SS..Hα-helixtrans-61-44.3176.1-173.4-179.7-176.300111.6S245 L246 K251 E252 L253S245-E249 PolarHBondContact O-N 3.25Å; S245-E249 VanDerWaalsContact O-N 3.09Å; L246-E249 PolarHBondContact O-N 2.92Å; E249-K251 VanDerWaalsContact C-N 3.27Å; E249-K251 PolarHBondContact O-N 2.82Å; E249-E252 PolarHBondContact O-N 2.82Å; E249-L253 HydrophobicContact CG-CD1 4.39Å; E249-L253 WeakPolarHBondContact O-CG 3.4Å; E249-L253 PolarHBondContact O-N 3.48Å
250V95.6Very high94.5Very high52 Ų52109.7 Ų109.732%0.31553%0.525SS..Hα-helixtrans-60.8-37.5175.3169.40000111.6L246 T248 R254L246-V250 VanDerWaalsContact O-CG2 3.31Å; L246-V250 WeakPolarHBondContact O-CG2 3.31Å; L246-V250 PolarHBondContact O-N 2.83Å; T248-V250 PolarHBondContact O-N 2.73Å; V250-R254 WeakPolarHBondContact O-CB 3.46Å; V250-R254 VanDerWaalsContact O-CG 3.27Å; V250-R254 WeakPolarHBondContact O-CG 3.4Å; V250-R254 PolarHBondContact O-N 2.99Å
251K96.1Very high94.5Very high139 Ų139109.3 Ų109.360%0.60452%0.521SS*.Hα-helixtrans-65.3-45.1175.4-175.9-174.8175.5-172.50110.9L247 T248 E249 L253 R254 D255L247-K251 PolarHBondContact O-N 2.85Å; T248-K251 WeakPolarHBondContact O-CB 3.38Å; T248-K251 PolarHBondContact O-N 2.91Å; T248-K251 VanDerWaalsContact O-N 3.1Å; E249-K251 VanDerWaalsContact C-N 3.27Å; E249-K251 PolarHBondContact O-N 2.82Å; K251-L253 PolarHBondContact O-N 2.9Å; K251-R254 WeakPolarHBondContact O-CB 3.28Å; K251-R254 PolarHBondContact O-N 2.76Å; K251-D255 PolarHBondContact O-N 3.02Å
252E96.3Very high94.4Very high133 Ų133105.8 Ų105.862%0.62151%0.509SS*.Hα-helixtrans-61.7-43.4176.5-70.2-177.2177.600112.2T248 E249 R254 D255 F256T248-E252 WeakPolarHBondContact O-CG 3.42Å; T248-E252 PolarHBondContact O-N 2.78Å; E249-E252 PolarHBondContact O-N 2.82Å; E252-R254 VanDerWaalsContact C-N 3.34Å; E252-R254 PolarHBondContact O-N 3.3Å; E252-D255 PolarHBondContact O-N 3.48Å; E252-F256 WeakPolarHBondContact O-CB 3.36Å; E252-F256 PolarHBondContact O-N 3.2Å
253L96.1Very high94.3Very high101 Ų101102.8 Ų102.853%0.52950%0.5SS..Hα-helixtrans-62.1-40.5175.6-72.3174000112E249 K251 D255 F256 N257E249-L253 HydrophobicContact CG-CD1 4.39Å; E249-L253 WeakPolarHBondContact O-CG 3.4Å; E249-L253 PolarHBondContact O-N 3.48Å; K251-L253 PolarHBondContact O-N 2.9Å; L253-D255 VanDerWaalsContact C-N 3.35Å; L253-F256 PolarHBondContact O-N 2.89Å; L253-N257 VanDerWaalsContact O-CB 3.3Å; L253-N257 WeakPolarHBondContact O-CB 3.44Å; L253-N257 PolarHBondContact O-N 2.98Å
254R94.8Very high94.2Very high175 Ų175100 Ų10066%0.6650%0.495SS*.Hα-helixtrans-63.6-41.3174-75.6173.5179.8-179.42.9111.6V250 K251 E252 N257 R258V250-R254 WeakPolarHBondContact O-CB 3.46Å; V250-R254 VanDerWaalsContact O-CG 3.27Å; V250-R254 WeakPolarHBondContact O-CG 3.4Å; V250-R254 PolarHBondContact O-N 2.99Å; K251-R254 WeakPolarHBondContact O-CB 3.28Å; K251-R254 PolarHBondContact O-N 2.76Å; E252-R254 VanDerWaalsContact C-N 3.34Å; E252-R254 PolarHBondContact O-N 3.3Å; R254-N257 PolarHBondContact O-N 3.02Å; R254-R258 WeakPolarHBondContact O-CB 3.46Å; R254-R258 PolarHBondContact O-N 2.59Å
255D94.8Very high94Very high47 Ų47103.8 Ų103.825%0.25151%0.506SS..Hα-helixtrans-66.8-41.5177.6-75.1-9.7000111.9K251 E252 L253 R258 R259K251-D255 PolarHBondContact O-N 3.02Å; E252-D255 PolarHBondContact O-N 3.48Å; L253-D255 VanDerWaalsContact C-N 3.35Å; D255-R258 VanDerWaalsContact CG-NH2 3.3Å; D255-R258 PolarHBondContact O-N 2.73Å; D255-R258 IonicContact OD1-CZ 3.12Å; D255-R258 IonicContact OD1-NH1 2.69Å; D255-R258 PolarHBondContact OD1-NH1 3.15Å; D255-R258 IonicContact OD1-NH2 2.9Å; D255-R258 PolarHBondContact OD1-NH2 3.16Å; D255-R258 IonicContact OD2-NH2 2.77Å; D255-R259 WeakPolarHBondContact O-CG 3.34Å; D255-R259 PolarHBondContact O-N 3.2Å
256F95.7Very high93.4Very high123 Ų123106.4 Ų106.454%0.53951%0.512SS..Hα-helixtrans-63-45.2173.9-178.8-108.2000111.5E252 L253 R258 R259 L260E252-F256 WeakPolarHBondContact O-CB 3.36Å; E252-F256 PolarHBondContact O-N 3.2Å; L253-F256 PolarHBondContact O-N 2.89Å; F256-R258 VanDerWaalsContact C-N 3.33Å; F256-R258 PolarHBondContact O-N 2.82Å; F256-R259 PolarHBondContact O-N 3.23Å; F256-L260 HydrophobicContact CD1-CD1 3.78Å; F256-L260 HydrophobicContact CD1-CG 4.26Å; F256-L260 HydrophobicContact CE1-CD1 3.26Å; F256-L260 HydrophobicContact CE1-CD2 4.46Å; F256-L260 HydrophobicContact CE1-CG 3.89Å; F256-L260 HydrophobicContact CE2-CD2 4.49Å; F256-L260 HydrophobicContact CE2-CG 4.33Å; F256-L260 HydrophobicContact CZ-CD1 3.71Å; F256-L260 HydrophobicContact CZ-CD2 4.06Å; F256-L260 HydrophobicContact CZ-CG 3.92Å; F256-L260 WeakPolarHBondContact O-CG 3.49Å; F256-L260 PolarHBondContact O-N 3.16Å
257N94.7Very high92.8Very high83 Ų83111 Ų11144%0.44452%0.522SS..Hα-helixtrans-61.2-42177.2-161.7-79.3000111.6L253 R254 L260 Q261L253-N257 VanDerWaalsContact O-CB 3.3Å; L253-N257 WeakPolarHBondContact O-CB 3.44Å; L253-N257 PolarHBondContact O-N 2.98Å; R254-N257 PolarHBondContact O-N 3.02Å; N257-L260 PolarHBondContact O-N 2.72Å; N257-Q261 VanDerWaalsContact O-CG 3.31Å; N257-Q261 WeakPolarHBondContact O-CG 3.42Å; N257-Q261 PolarHBondContact O-N 3.05Å; N257-Q261 PolarHBondContact OD1-NE2 2.71Å
258R95.3Very high91.8Very high124 Ų124111.9 Ų111.947%0.46853%0.527SS..Hα-helixtrans-58.9-48.8173.9-176.7172.365-105.71.8111.6R254 D255 F256 L260 Q261 D262R254-R258 WeakPolarHBondContact O-CB 3.46Å; R254-R258 PolarHBondContact O-N 2.59Å; D255-R258 VanDerWaalsContact CG-NH2 3.3Å; D255-R258 PolarHBondContact O-N 2.73Å; D255-R258 IonicContact OD1-CZ 3.12Å; D255-R258 IonicContact OD1-NH1 2.69Å; D255-R258 PolarHBondContact OD1-NH1 3.15Å; D255-R258 IonicContact OD1-NH2 2.9Å; D255-R258 PolarHBondContact OD1-NH2 3.16Å; D255-R258 IonicContact OD2-NH2 2.77Å; F256-R258 VanDerWaalsContact C-N 3.33Å; F256-R258 PolarHBondContact O-N 2.82Å; R258-L260 VanDerWaalsContact C-N 3.32Å; R258-L260 PolarHBondContact O-N 2.87Å; R258-Q261 WeakPolarHBondContact O-CB 3.23Å; R258-Q261 PolarHBondContact O-N 2.97Å; R258-Q261 VanDerWaalsContact O-N 3.16Å; R258-D262 VanDerWaalsContact O-CG 3.23Å; R258-D262 PolarHBondContact O-N 3.11Å
259R94.8Very high90.2Very high168 Ų168111 Ų11163%0.63453%0.534SS*.Hα-helixtrans-60.5-40.7176.9-69173.5-165.6-113.66.6112.3D255 F256 D262 V263D255-R259 WeakPolarHBondContact O-CG 3.34Å; D255-R259 PolarHBondContact O-N 3.2Å; F256-R259 PolarHBondContact O-N 3.23Å; R259-D262 PolarHBondContact O-N 2.9Å; R259-V263 WeakPolarHBondContact O-CG2 3.48Å; R259-V263 PolarHBondContact O-N 3.39Å
260L94.3Very high88.3Confident80 Ų80110.3 Ų110.342%0.41954%0.54SS..Hα-helixtrans-62.9-43.5175.6-76.8-179.8000111.7F256 N257 R258 D262 V263 L264F256-L260 HydrophobicContact CD1-CD1 3.78Å; F256-L260 HydrophobicContact CD1-CG 4.26Å; F256-L260 HydrophobicContact CE1-CD1 3.26Å; F256-L260 HydrophobicContact CE1-CD2 4.46Å; F256-L260 HydrophobicContact CE1-CG 3.89Å; F256-L260 HydrophobicContact CE2-CD2 4.49Å; F256-L260 HydrophobicContact CE2-CG 4.33Å; F256-L260 HydrophobicContact CZ-CD1 3.71Å; F256-L260 HydrophobicContact CZ-CD2 4.06Å; F256-L260 HydrophobicContact CZ-CG 3.92Å; F256-L260 WeakPolarHBondContact O-CG 3.49Å; F256-L260 PolarHBondContact O-N 3.16Å; N257-L260 PolarHBondContact O-N 2.72Å; R258-L260 VanDerWaalsContact C-N 3.32Å; R258-L260 PolarHBondContact O-N 2.87Å; L260-D262 VanDerWaalsContact C-N 3.33Å; L260-V263 PolarHBondContact O-N 2.79Å; L260-L264 WeakPolarHBondContact O-CG 3.48Å; L260-L264 PolarHBondContact O-N 2.81Å
261Q93.2Very high85.7Confident113 Ų113116.5 Ų116.553%0.52857%0.566SS.*Hα-helixtrans-61-42.5174.7-70177.117.800111.3N257 R258 V263 L264 L265N257-Q261 VanDerWaalsContact O-CG 3.31Å; N257-Q261 WeakPolarHBondContact O-CG 3.42Å; N257-Q261 PolarHBondContact O-N 3.05Å; N257-Q261 PolarHBondContact OD1-NE2 2.71Å; R258-Q261 WeakPolarHBondContact O-CB 3.23Å; R258-Q261 PolarHBondContact O-N 2.97Å; R258-Q261 VanDerWaalsContact O-N 3.16Å; Q261-V263 PolarHBondContact O-N 2.96Å; Q261-L264 PolarHBondContact O-N 2.95Å; Q261-L265 WeakPolarHBondContact O-CB 3.4Å; Q261-L265 PolarHBondContact O-N 2.76Å
262D90.9Very high83.4Confident86 Ų86114.4 Ų114.446%0.4657%0.567SS.*Hα-helixtrans-61-43.7177.1-64.3-29000111.8R258 R259 L260 L265 M266R258-D262 VanDerWaalsContact O-CG 3.23Å; R258-D262 PolarHBondContact O-N 3.11Å; R259-D262 PolarHBondContact O-N 2.9Å; L260-D262 VanDerWaalsContact C-N 3.33Å; D262-L265 PolarHBondContact O-N 2.77Å; D262-M266 WeakPolarHBondContact O-CG 3.4Å; D262-M266 PolarHBondContact O-N 2.85Å
263V92.3Very high80.8Confident69 Ų69116.7 Ų116.742%0.41858%0.579SS.*Hα-helixtrans-64.3-42.1176.3170.90000111.4R259 L260 Q261 M266 R267R259-V263 WeakPolarHBondContact O-CG2 3.48Å; R259-V263 PolarHBondContact O-N 3.39Å; L260-V263 PolarHBondContact O-N 2.79Å; Q261-V263 PolarHBondContact O-N 2.96Å; V263-M266 PolarHBondContact O-N 3.42Å; V263-R267 WeakPolarHBondContact O-CG 3.27Å; V263-R267 PolarHBondContact O-N 2.64Å
264L88.7Confident78.2Confident99 Ų99119.9 Ų119.952%0.51859%0.591SS.*Hα-helixtrans-63.5-43.2176.2-74.2169.9000111.2L260 Q261 M266 R267 L268L260-L264 WeakPolarHBondContact O-CG 3.48Å; L260-L264 PolarHBondContact O-N 2.81Å; Q261-L264 PolarHBondContact O-N 2.95Å; L264-M266 VanDerWaalsContact C-N 3.33Å; L264-M266 PolarHBondContact O-N 3.1Å; L264-R267 PolarHBondContact O-N 2.64Å; L264-L268 WeakPolarHBondContact O-CB 3.47Å; L264-L268 WeakPolarHBondContact O-CG 3.13Å; L264-L268 PolarHBondContact O-N 2.7Å
265L87.6Confident75.8Confident116 Ų116118.2 Ų118.261%0.60760%0.595SS**Hα-helixtrans-63-40177.3-170.466.7000111.4Q261 D262 L268 G269Q261-L265 WeakPolarHBondContact O-CB 3.4Å; Q261-L265 PolarHBondContact O-N 2.76Å; D262-L265 PolarHBondContact O-N 2.77Å; L265-L268 PolarHBondContact O-N 3.16Å; L265-G269 PolarHBondContact O-N 2.88Å
266M81.4Confident73Confident129 Ų129123.5 Ų123.564%0.63562%0.624SS**Hα-helixtrans-65.5-38.7174.8-73.4-76.97900113.3D262 V263 L264 S270D262-M266 WeakPolarHBondContact O-CG 3.4Å; D262-M266 PolarHBondContact O-N 2.85Å; V263-M266 PolarHBondContact O-N 3.42Å; L264-M266 VanDerWaalsContact C-N 3.33Å; L264-M266 PolarHBondContact O-N 3.1Å; M266-S270 PolarHBondContact O-OG 3.01Å
267R82.5Confident70.2Confident191 Ų191120.2 Ų120.272%0.72162%0.624SS**Hα-helixtrans-68.2-36.3175.5-74.5-177.1177.5156.30.9112.6V263 L264V263-R267 WeakPolarHBondContact O-CG 3.27Å; V263-R267 PolarHBondContact O-N 2.64Å; L264-R267 PolarHBondContact O-N 2.64Å
268L73.8Confident67.6Low140 Ų140122.3 Ų122.373%0.73364%0.64SS**Hα-helixtrans-79.9-26.1177.3-68170.1000113L264 L265 S270L264-L268 WeakPolarHBondContact O-CB 3.47Å; L264-L268 WeakPolarHBondContact O-CG 3.13Å; L264-L268 PolarHBondContact O-N 2.7Å; L265-L268 PolarHBondContact O-N 3.16Å; L268-S270 VanDerWaalsContact C-N 3.26Å; L268-S270 PolarHBondContact O-N 3.09Å
269G59.7Low64.8Low60 Ų60125.8 Ų125.862%0.61966%0.662SS**THydrogen-bonded Turntrans-82.25.3176.700000114.9L265L265-G269 PolarHBondContact O-N 2.88Å
270S56.5Low61.9Low89 Ų89123.3 Ų123.362%0.62267%0.665SS**THydrogen-bonded Turntrans-101.619.8-176.8-62.20000114.4M266 L268 P272M266-S270 PolarHBondContact O-OG 3.01Å; L268-S270 VanDerWaalsContact C-N 3.26Å; L268-S270 PolarHBondContact O-N 3.09Å; S270-P272 VanDerWaalsContact O-CD 3.23Å; S270-P272 WeakPolarHBondContact O-CD 2.98Å
271E40.5Very low59.2Low181 Ų181126.3 Ų126.385%0.84668%0.68SS**  trans-89.6111.5168.4-79.9-159.8152.500111.5
272P46.9Very low56.2Low96 Ų96130.2 Ų130.262%0.62370%0.696SS**  trans-72.1126.7160.228-28.9000109.1S270 H274S270-P272 VanDerWaalsContact O-CD 3.23Å; S270-P272 WeakPolarHBondContact O-CD 2.98Å; P272-H274 PolarHBondContact O-N 3.38Å
273M41.5Very low53.9Low181 Ų181130.5 Ų130.589%0.89271%0.71SS**  trans-53110.4164.2-86.3-166.366.900109.6
274H43.5Very low51Low167 Ų167136.1 Ų136.177%0.77373%0.732SS**  trans-95.3105.2158.2-77.7-15.9000108.9P272 N276P272-H274 PolarHBondContact O-N 3.38Å; H274-N276 PolarHBondContact O-N 2.92Å
275D42.8Very low48.3Very low141 Ų141136.6 Ų136.675%0.75474%0.739SS**  trans-48.4122.1152-174.618.5000108.7
276N37.3Very low45.8Very low158 Ų158137 Ų13785%0.84575%0.746SS**  trans-149.792.4160.1-113.1-1.2000108.9H274H274-N276 PolarHBondContact O-N 2.92Å
277G36.9Very low43.4Very low53 Ų53139 Ų13955%0.54675%0.754SS.*  trans-55.8141.1159.700000111.9
278T39.8Very low41.4Very low128 Ų128134.2 Ų134.279%0.78575%0.747SS**  trans60.594.2145-28.30000117.1
279Q36.2Very low39.4Very low197 Ų197134.6 Ų134.692%0.92175%0.748SS**  trans-146.9117.3135.1-115.6160.980.300111.4
280T33.3Very low38.1Very low115 Ų115138.9 Ų138.971%0.70676%0.762SS**  trans-72.5170.8171.238.60000111.3
281I37.5Very low37Very low143 Ų143143.1 Ų143.173%0.73377%0.772SS**  trans92.7125.9164.2-52170000113.1
282K31.2Very low36.5Very low195 Ų195138.9 Ų138.985%0.84877%0.768SS**  cis-163.3154.6-2.2-104.5169.5-170.7178.90107.6
283A41.4Very low35.6Very low93 Ų93143.3 Ų143.377%0.76978%0.78SS**  trans-90.5141.7163.700000110.8
284E31.8Very low35.2Very low187 Ų187143.1 Ų143.187%0.87478%0.777SS**  trans151.5143.8161.4-90.5-162.7126.200107.2
285V33Very low34.4Very low109 Ų109142 Ų14266%0.66178%0.782SS**  cis-169.7136.64.4136.60000107.5
286V34.6Very low33.5Very low124 Ų124140.8 Ų140.875%0.75278%0.784SS**  trans38.7112.4140-171.10000122.3
287E30.4Very low33.1Very low172 Ų172145 Ų14580%0.80479%0.788SS**  36.4169.3126.4-84.7-164-156.500124.6
288P41.3Very low32.9Very low90 Ų90150.7 Ų150.758%0.58480%0.8SS**  cis-144.4178.2-22.134.5-12.4000117.1
289I31.2Very low32.5Very low148 Ų148154 Ų15476%0.75981%0.806SS**  trans63.4125154-63.7149.9000120.6
290V33.1Very low32.2Very low149 Ų149147.7 Ų147.790%0.90379%0.788SS**  -156.6135.5117-178.80000110.9
291E32.3Very low32.1Very low179 Ų179149.4 Ų149.484%0.83679%0.793SS**  trans-95.5142.9-176.9-176.7179.9-141.800111.8
292A31.1Very low31.8Very low91 Ų91149.6 Ų149.675%0.75280%0.801SS**  trans168.2139.5155.800000108.2
293Q26.9Very low31.9Very low189 Ų189145.7 Ų145.788%0.88380%0.798SS**  cis-168.4144.7-10.4-142.7179-23.800106.4
294E32.9Very low31.4Very low177 Ų177146.7 Ų146.783%0.82780%0.8SS**  trans-59.6143.5174.5-65.3170.2141.700112.9
295T27.5Very low31.8Very low144 Ų144142.1 Ų142.188%0.88379%0.789SS**  trans-134.1115.6146.945.80000109.7
296C23.5Very low31.7Very low116 Ų116147.7 Ų147.778%0.78480%0.799SS**  trans-69142.4169.9-57.90000110.8
297R29.8Very low31.9Very low246 Ų246147 Ų14793%0.92880%0.8SS**  trans-146.3106.3144.3-128.4177.1-176.6166.70.8110.7
298E31.3Very low32.3Very low173 Ų173144.5 Ų144.581%0.80880%0.799SS**  trans-83.2128.9166.6-174.2176.4-15400107.2
299E32.6Very low31.7Very low196 Ų196145.3 Ų145.392%0.91681%0.807SS**  trans-138.7130.2144.4-79.1-150.416600109.3
300A30.3Very low32.3Very low66 Ų66143.2 Ų143.255%0.54580%0.803SS.*  trans-106.1161.8-169.100000110.7
301N30.9Very low32.6Very low150 Ų150147.4 Ų147.480%0.80280%0.802SS**  trans86.8108.2149.8-47.4-40.7000118.7
302T30.5Very low33.1Very low148 Ų148144.5 Ų144.591%0.90880%0.797SS**  -136120112.454.90000109.9
303S33.7Very low34.5Very low112 Ų112144.9 Ų144.978%0.78379%0.79SS**  trans-68141.6-179.7-178.10000112.6
304S30.5Very low36.5Very low115 Ų115137.6 Ų137.680%0.80475%0.754SS**  trans-142.7114.9137.6-173.20000109.3
305S40.3Very low38.5Very low91 Ų91133.2 Ų133.264%0.63674%0.739SS**  trans-61.2116.5-177.647.70000113.7
306Y31.9Very low40.8Very low225 Ų225129.8 Ų129.888%0.88272%0.721SS**  trans-146.4111142.8-97.9-85.4000108.9
307S38.8Very low43.2Very low111 Ų111129.3 Ų129.378%0.77671%0.711SS**  trans-69.1139.9157.6-178.10000107.8
308P38.8Very low45.5Very low118 Ų118124.1 Ų124.177%0.76670%0.701SS**  -147.3142.997.634.5-15.7000115.1
309S28.7Very low47.9Very low108 Ų108118 Ų11876%0.75569%0.685SS**  trans-71.3154.3143.5-81.90000109.2
310P41.8Very low50.5Low104 Ų104113.3 Ų113.368%0.67566%0.661SS**  cis-126.7159.232.637.2-20.8000114.3T312P310-T312 PolarHBondContact O-N 2.7Å
311R39.5Very low53.2Low237 Ų237110.3 Ų110.389%0.89464%0.636SS**  trans-24.7103.3175-76.9176.1170.8-131.7-1.9114.5V313R311-V313 PolarHBondContact O-N 3.05Å
312T44Very low55.9Low118 Ų118105.3 Ų105.372%0.72461%0.608SS**  trans-72.497.4167.6-34.60000108.2P310 Y314P310-T312 PolarHBondContact O-N 2.7Å; T312-Y314 PolarHBondContact O-N 2.89Å
313V59.5Low58.5Low99 Ų9998.7 Ų98.760%0.657%0.567SS**  trans-70.7-15.5178178.60000111.9R311R311-V313 PolarHBondContact O-N 3.05Å
314Y68.8Low60.7Low36 Ų3694.3 Ų94.314%0.14154%0.539CS..SBendtrans-102.2139.3-176.4-51.4-68.6000111.1T312 V321 H322 L323 W334 D396T312-Y314 PolarHBondContact O-N 2.89Å; Y314-V321 HydrophobicContact CG-CG1 4.23Å; Y314-H322 WeakPolarHBondContact CD1-O 3.42Å; Y314-L323 HydrophobicContact CD1-CD2 4.16Å; Y314-L323 HydrophobicContact CE1-CD2 4.29Å; Y314-W334 HydrophobicContact CD2-CZ2 4.08Å; Y314-W334 HydrophobicContact CE1-CZ2 4.29Å; Y314-W334 AromaticContact CE2-CZ2 3.68Å; Y314-W334 HydrophobicContact CE2-CZ2 3.68Å; Y314-W334 AromaticContact CZ-CZ2 3.8Å; Y314-D396 PolarHBondContact OH-OD2 3.15Å
315T75.9Confident62.9Low84 Ų8492.5 Ų92.552%0.51554%0.538SS..EExtended strand (participates in β ladder)trans-90.6127.6174.252.60000109.6H322T315-H322 WeakPolarHBondContact O-CB 3.41Å; T315-H322 PolarHBondContact O-N 2.87Å; T315-H322 WeakPolarHBondContact OG1-CB 3.19Å
316C76.1Confident64.9Low73 Ų7390.8 Ų90.849%0.49354%0.536SS..EExtended strand (participates in β ladder)trans-97.3129.4173.4-58.70000108.8K320C316-K320 WeakPolarHBondContact CA-O 3.48Å
317N73.3Confident67.5Low106 Ų10681 Ų8157%0.56750%0.498SS*.EExtended strand (participates in β ladder)trans-142.8126.9171.9-169.630.3000108.7G319 K320 W328N317-G319 PolarHBondContact O-N 2.71Å; N317-K320 PolarHBondContact N-O 2.86Å; N317-K320 WeakPolarHBondContact O-CB 3.32Å; N317-K320 PolarHBondContact O-N 2.92Å; N317-K320 VanDerWaalsContact O-O 3.12Å; N317-W328 HydrophobicContact CB-CH2 3.94Å; N317-W328 HydrophobicContact CB-CZ3 3.76Å
318D77.8Confident69.8Low136 Ų13681.2 Ų81.273%0.72748%0.482SS*.THydrogen-bonded Turntrans52.852.4170.5-16737.6000114.2K320D318-K320 PolarHBondContact O-N 2.85Å; D318-K320 VanDerWaalsContact O-N 3.09Å
319G81.6Confident72.2Confident45 Ų4576.1 Ų76.146%0.46445%0.448SS..THydrogen-bonded Turntrans65.813.3-179.400000114.9N317 E331N317-G319 PolarHBondContact O-N 2.71Å; G319-E331 WeakPolarHBondContact O-CB 3.38Å; G319-E331 PolarHBondContact O-N 2.97Å
320K87.3Confident75.1Confident98 Ų9875.4 Ų75.443%0.42643%0.433SS..EExtended strand (participates in β ladder)trans-124.5142.2178.6-66.3168.2-174.6155.20111C316 N317 D318 W328 V329C316-K320 WeakPolarHBondContact CA-O 3.48Å; N317-K320 PolarHBondContact N-O 2.86Å; N317-K320 WeakPolarHBondContact O-CB 3.32Å; N317-K320 PolarHBondContact O-N 2.92Å; N317-K320 VanDerWaalsContact O-O 3.12Å; D318-K320 PolarHBondContact O-N 2.85Å; D318-K320 VanDerWaalsContact O-N 3.09Å; K320-W328 HydrophobicContact CB-CE3 4.02Å; K320-V329 CarbonylContact C-O 3.32Å; K320-V329 VanDerWaalsContact CA-O 3.25Å; K320-V329 WeakPolarHBondContact CA-O 3.34Å
321V87.6Confident77.3Confident2 Ų273.6 Ų73.61%0.01242%0.416CS..EExtended strand (participates in β ladder)trans-103.9130.3177.9-179.50000109.2Y314 L323 W328 V329 E331 W334Y314-V321 HydrophobicContact CG-CG1 4.23Å; V321-L323 HydrophobicContact CG1-CD2 4.16Å; V321-W328 WeakPolarHBondContact O-CA 3.25Å; V321-V329 HydrophobicContact CB-CG2 4.19Å; V321-V329 PolarHBondContact N-O 3.4Å; V321-V329 WeakPolarHBondContact O-CG2 3.36Å; V321-V329 PolarHBondContact O-N 3.28Å; V321-E331 HydrophobicContact CG2-CB 3.92Å; V321-E331 HydrophobicContact CG2-CG 3.91Å; V321-W334 HydrophobicContact CB-CB 4.42Å; V321-W334 HydrophobicContact CB-CG 4.21Å; V321-W334 HydrophobicContact CG1-CG 4.19Å; V321-W334 HydrophobicContact CG2-CB 4.28Å; V321-W334 HydrophobicContact CG2-CG 4.22Å
322H88Confident79.7Confident46 Ų4669.9 Ų69.921%0.21341%0.409CS..EExtended strand (participates in β ladder)trans-87.3121.4174.4-172.8-112.2000110.9Y314 T315 G324 W328Y314-H322 WeakPolarHBondContact CD1-O 3.42Å; T315-H322 WeakPolarHBondContact O-CB 3.41Å; T315-H322 PolarHBondContact O-N 2.87Å; T315-H322 WeakPolarHBondContact OG1-CB 3.19Å; H322-G324 PolarHBondContact ND1-N 2.96Å; H322-W328 HydrophobicContact CB-CD2 4.25Å; H322-W328 HydrophobicContact CB-CE3 3.88Å; H322-W328 HydrophobicContact CB-CH2 3.89Å; H322-W328 HydrophobicContact CB-CZ2 4.25Å; H322-W328 HydrophobicContact CB-CZ3 3.7Å; H322-W328 AromaticContact CD2-CD2 3.91Å; H322-W328 AromaticContact CD2-CE2 3.51Å; H322-W328 AromaticContact CD2-CZ2 3.7Å; H322-W328 AromaticContact CD2-NE1 3.76Å
323L84.8Confident81.9Confident9 Ų968.9 Ų68.95%0.04739%0.394CS..EExtended strand (participates in β ladder)trans-94.10.1179.6-55.1-177.4000113.3Y314 V321 I327 V329 W334 L350 I354 I389Y314-L323 HydrophobicContact CD1-CD2 4.16Å; Y314-L323 HydrophobicContact CE1-CD2 4.29Å; V321-L323 HydrophobicContact CG1-CD2 4.16Å; L323-I327 PolarHBondContact N-O 3.48Å; L323-V329 HydrophobicContact CD1-CB 4.43Å; L323-V329 HydrophobicContact CD1-CG1 3.79Å; L323-V329 HydrophobicContact CD1-CG2 3.72Å; L323-V329 HydrophobicContact CD2-CG2 3.91Å; L323-V329 HydrophobicContact CG-CG1 4.47Å; L323-V329 HydrophobicContact CG-CG2 3.72Å; L323-W334 HydrophobicContact CD1-CE3 4.24Å; L323-W334 HydrophobicContact CD1-CZ3 3.93Å; L323-W334 HydrophobicContact CD2-CD2 3.87Å; L323-W334 HydrophobicContact CD2-CE3 3.61Å; L323-W334 HydrophobicContact CD2-CH2 3.5Å; L323-W334 VanDerWaalsContact CD2-CH2 3.5Å; L323-W334 HydrophobicContact CD2-CZ2 3.76Å; L323-W334 HydrophobicContact CD2-CZ3 3.41Å; L323-W334 VanDerWaalsContact CD2-CZ3 3.41Å; L323-W334 HydrophobicContact CG-CZ3 4.33Å; L323-L350 HydrophobicContact CD1-CD1 3.98Å; L323-I354 HydrophobicContact CD1-CG1 4.41Å; L323-I389 HydrophobicContact CB-CG2 3.96Å; L323-I389 WeakPolarHBondContact O-CG2 3.39Å
324G80.8Confident83.4Confident20 Ų2064.4 Ų64.421%0.20637%0.367CS..EExtended strand (participates in β ladder)trans100.1162.7-171.700000113.9H322 G326 I327 I389H322-G324 PolarHBondContact ND1-N 2.96Å; G324-G326 PolarHBondContact O-N 3.43Å; G324-G326 VanDerWaalsContact O-N 3.09Å; G324-I327 PolarHBondContact O-N 3.22Å; G324-I389 VanDerWaalsContact O-CD1 3.27Å; G324-I389 WeakPolarHBondContact O-CD1 3.38Å
325G76Confident84.4Confident76 Ų7666 Ų6678%0.78438%0.375SS*.THydrogen-bonded Turntrans55.827.1178.400000115.8
326G81.2Confident85.1Confident56 Ų5668.5 Ų68.558%0.57738%0.381SS*.THydrogen-bonded Turntrans79.112.9-179.100000114.8G324G324-G326 PolarHBondContact O-N 3.43Å; G324-G326 VanDerWaalsContact O-N 3.09Å
327I86.4Confident85.8Confident18 Ų1865.3 Ų65.39%0.09236%0.359CS..EExtended strand (participates in β ladder)trans-92.6122.8179.5-51.7-176.9000109.9L323 G324 I354 K386 I389L323-I327 PolarHBondContact N-O 3.48Å; G324-I327 PolarHBondContact O-N 3.22Å; I327-I354 HydrophobicContact CD1-CG2 3.91Å; I327-I354 HydrophobicContact CG2-CG1 4.38Å; I327-K386 HydrophobicContact CD1-CB 4.3Å; I327-K386 HydrophobicContact CD1-CD 4.2Å; I327-K386 HydrophobicContact CD1-CG 3.79Å; I327-I389 HydrophobicContact CD1-CD1 3.39Å; I327-I389 HydrophobicContact CG1-CD1 3.96Å
328W88.3Confident86.5Confident117 Ų11764.3 Ų64.344%0.44335%0.351SS..EExtended strand (participates in β ladder)trans-112.9136.6176.1-63.389000109.5N317 K320 V321 H322N317-W328 HydrophobicContact CB-CH2 3.94Å; N317-W328 HydrophobicContact CB-CZ3 3.76Å; K320-W328 HydrophobicContact CB-CE3 4.02Å; V321-W328 WeakPolarHBondContact O-CA 3.25Å; H322-W328 HydrophobicContact CB-CD2 4.25Å; H322-W328 HydrophobicContact CB-CE3 3.88Å; H322-W328 HydrophobicContact CB-CH2 3.89Å; H322-W328 HydrophobicContact CB-CZ2 4.25Å; H322-W328 HydrophobicContact CB-CZ3 3.7Å; H322-W328 AromaticContact CD2-CD2 3.91Å; H322-W328 AromaticContact CD2-CE2 3.51Å; H322-W328 AromaticContact CD2-CZ2 3.7Å; H322-W328 AromaticContact CD2-NE1 3.76Å
329V89.4Confident87.1Confident10 Ų1066.3 Ų66.36%0.06135%0.348CS..EExtended strand (participates in β ladder)trans-128.7150.5175.9-70.50000109.8K320 V321 L323 E331 W334 M353K320-V329 CarbonylContact C-O 3.32Å; K320-V329 VanDerWaalsContact CA-O 3.25Å; K320-V329 WeakPolarHBondContact CA-O 3.34Å; V321-V329 HydrophobicContact CB-CG2 4.19Å; V321-V329 PolarHBondContact N-O 3.4Å; V321-V329 WeakPolarHBondContact O-CG2 3.36Å; V321-V329 PolarHBondContact O-N 3.28Å; L323-V329 HydrophobicContact CD1-CB 4.43Å; L323-V329 HydrophobicContact CD1-CG1 3.79Å; L323-V329 HydrophobicContact CD1-CG2 3.72Å; L323-V329 HydrophobicContact CD2-CG2 3.91Å; L323-V329 HydrophobicContact CG-CG1 4.47Å; L323-V329 HydrophobicContact CG-CG2 3.72Å; V329-E331 PolarHBondContact O-N 2.9Å; V329-W334 HydrophobicContact CG2-CB 4.12Å; V329-W334 HydrophobicContact CG2-CD2 4.48Å; V329-W334 HydrophobicContact CG2-CE3 4.22Å; V329-W334 HydrophobicContact CG2-CG 4.47Å; V329-M353 HydrophobicContact CB-CE 3.63Å; V329-M353 HydrophobicContact CG1-CB 4.24Å; V329-M353 HydrophobicContact CG1-CE 3.82Å; V329-M353 HydrophobicContact CG2-CE 4.02Å
330E89.9Confident87.6Confident94 Ų9465.1 Ų65.144%0.43933%0.332SS..EExtended strand (participates in β ladder)trans-59.3134174.8-72.3165.8-140.100110.9E332 K333 W334E330-E332 PolarHBondContact O-N 3.06Å; E330-K333 HydrophobicContact CB-CB 4.26Å; E330-K333 HydrophobicContact CB-CD 4.25Å; E330-K333 HydrophobicContact CB-CG 4.28Å; E330-K333 PolarHBondContact O-N 3.44Å; E330-K333 IonicContact OE1-NZ 2.75Å; E330-K333 PolarHBondContact OE1-NZ 2.89Å; E330-K333 WeakPolarHBondContact OE2-CD 3.47Å; E330-K333 WeakPolarHBondContact OE2-CE 3.2Å; E330-K333 IonicContact OE2-NZ 3.06Å; E330-K333 PolarHBondContact OE2-NZ 2.94Å; E330-W334 WeakPolarHBondContact O-CB 3.49Å; E330-W334 PolarHBondContact O-N 2.69Å
331E88.1Confident87.7Confident66 Ų6668 Ų6831%0.30835%0.347SS..Hα-helixtrans-61.9-41.7-175.2-179.9169.6-159.800112.3G319 V321 V329 W334 H335G319-E331 WeakPolarHBondContact O-CB 3.38Å; G319-E331 PolarHBondContact O-N 2.97Å; V321-E331 HydrophobicContact CG2-CB 3.92Å; V321-E331 HydrophobicContact CG2-CG 3.91Å; V329-E331 PolarHBondContact O-N 2.9Å; E331-W334 PolarHBondContact O-N 2.8Å; E331-H335 WeakPolarHBondContact CG-CE1 3.41Å; E331-H335 VanDerWaalsContact CG-ND1 3.35Å; E331-H335 WeakPolarHBondContact CG-ND1 3.26Å; E331-H335 PolarHBondContact O-N 2.77Å; E331-H335 PolarHBondContact O-ND1 3.43Å; E331-H335 IonicContact OE1-CE1 3.89Å; E331-H335 PolarHBondContact OE1-CE1 2.97Å
332E88.8Confident87.9Confident159 Ų15969.7 Ų69.774%0.74337%0.365SS*.Hα-helixtrans-61.5-49.5177.9-173.5-177.2-175.500111.7E330 W334 H335 Q336E330-E332 PolarHBondContact O-N 3.06Å; E332-W334 VanDerWaalsContact C-N 3.28Å; E332-W334 PolarHBondContact O-N 3.38Å; E332-H335 PolarHBondContact O-N 3.42Å; E332-Q336 WeakPolarHBondContact O-CB 3.27Å; E332-Q336 PolarHBondContact O-N 3.02Å
333K89.9Confident88.1Confident96 Ų9668.3 Ų68.342%0.41736%0.359SS..Hα-helixtrans-62.1-37177.9-68.7-179.6-179.3146.70111.5E330 Q336 L337 M353E330-K333 HydrophobicContact CB-CB 4.26Å; E330-K333 HydrophobicContact CB-CD 4.25Å; E330-K333 HydrophobicContact CB-CG 4.28Å; E330-K333 PolarHBondContact O-N 3.44Å; E330-K333 IonicContact OE1-NZ 2.75Å; E330-K333 PolarHBondContact OE1-NZ 2.89Å; E330-K333 WeakPolarHBondContact OE2-CD 3.47Å; E330-K333 WeakPolarHBondContact OE2-CE 3.2Å; E330-K333 IonicContact OE2-NZ 3.06Å; E330-K333 PolarHBondContact OE2-NZ 2.94Å; K333-Q336 PolarHBondContact O-N 2.76Å; K333-L337 VanDerWaalsContact O-CB 3.31Å; K333-L337 WeakPolarHBondContact O-CB 3.27Å; K333-L337 PolarHBondContact O-N 3.24Å; K333-M353 HydrophobicContact CB-CE 3.94Å; K333-M353 HydrophobicContact CB-SD 4.49Å
334W91.5Very high88.6Confident6 Ų669.7 Ų69.72%0.02337%0.369CS..Hα-helixtrans-63.9-48.2175178.1-109.4000112.1Y314 V321 L323 V329 E330 E331 E332 Q336 L337 Q338 L350 M353 C393Y314-W334 HydrophobicContact CD2-CZ2 4.08Å; Y314-W334 HydrophobicContact CE1-CZ2 4.29Å; Y314-W334 AromaticContact CE2-CZ2 3.68Å; Y314-W334 HydrophobicContact CE2-CZ2 3.68Å; Y314-W334 AromaticContact CZ-CZ2 3.8Å; V321-W334 HydrophobicContact CB-CB 4.42Å; V321-W334 HydrophobicContact CB-CG 4.21Å; V321-W334 HydrophobicContact CG1-CG 4.19Å; V321-W334 HydrophobicContact CG2-CB 4.28Å; V321-W334 HydrophobicContact CG2-CG 4.22Å; L323-W334 HydrophobicContact CD1-CE3 4.24Å; L323-W334 HydrophobicContact CD1-CZ3 3.93Å; L323-W334 HydrophobicContact CD2-CD2 3.87Å; L323-W334 HydrophobicContact CD2-CE3 3.61Å; L323-W334 HydrophobicContact CD2-CH2 3.5Å; L323-W334 VanDerWaalsContact CD2-CH2 3.5Å; L323-W334 HydrophobicContact CD2-CZ2 3.76Å; L323-W334 HydrophobicContact CD2-CZ3 3.41Å; L323-W334 VanDerWaalsContact CD2-CZ3 3.41Å; L323-W334 HydrophobicContact CG-CZ3 4.33Å; V329-W334 HydrophobicContact CG2-CB 4.12Å; V329-W334 HydrophobicContact CG2-CD2 4.48Å; V329-W334 HydrophobicContact CG2-CE3 4.22Å; V329-W334 HydrophobicContact CG2-CG 4.47Å; E330-W334 WeakPolarHBondContact O-CB 3.49Å; E330-W334 PolarHBondContact O-N 2.69Å; E331-W334 PolarHBondContact O-N 2.8Å; E332-W334 VanDerWaalsContact C-N 3.28Å; E332-W334 PolarHBondContact O-N 3.38Å; W334-Q336 VanDerWaalsContact C-N 3.32Å; W334-Q336 PolarHBondContact O-N 3.41Å; W334-L337 HydrophobicContact CE3-CD2 3.99Å; W334-L337 HydrophobicContact CZ3-CD2 3.93Å; W334-L337 WeakPolarHBondContact O-CB 3.47Å; W334-L337 PolarHBondContact O-N 2.95Å; W334-L337 VanDerWaalsContact O-N 3.16Å; W334-Q338 HydrophobicContact CZ2-CG 4.31Å; W334-Q338 WeakPolarHBondContact O-CG 3.47Å; W334-Q338 PolarHBondContact O-N 3.28Å; W334-L350 HydrophobicContact CZ3-CD1 3.89Å; W334-M353 HydrophobicContact CB-CE 4.5Å; W334-C393 HydrophobicContact CH2-CB 4.36Å
335H89.8Confident89.2Confident69 Ų6974.8 Ų74.832%0.31939%0.386SS..Hα-helixtrans-62.7-38.3176.2-75105.6000112.2E331 E332 L337 Q338 R339E331-H335 WeakPolarHBondContact CG-CE1 3.41Å; E331-H335 VanDerWaalsContact CG-ND1 3.35Å; E331-H335 WeakPolarHBondContact CG-ND1 3.26Å; E331-H335 PolarHBondContact O-N 2.77Å; E331-H335 PolarHBondContact O-ND1 3.43Å; E331-H335 IonicContact OE1-CE1 3.89Å; E331-H335 PolarHBondContact OE1-CE1 2.97Å; E332-H335 PolarHBondContact O-N 3.42Å; H335-L337 VanDerWaalsContact C-N 3.34Å; H335-Q338 PolarHBondContact O-N 2.94Å; H335-R339 VanDerWaalsContact C-NH1 3.28Å; H335-R339 WeakPolarHBondContact O-CG 3.19Å; H335-R339 PolarHBondContact O-N 3.35Å; H335-R339 PolarHBondContact O-NH1 3.19Å
336Q90.1Very high90.1Very high137 Ų13771.4 Ų71.464%0.6435%0.349SS*.Hα-helixtrans-64.6-40.9174.6-166.5-176.330.200111.4E332 K333 W334 R339 T340E332-Q336 WeakPolarHBondContact O-CB 3.27Å; E332-Q336 PolarHBondContact O-N 3.02Å; K333-Q336 PolarHBondContact O-N 2.76Å; W334-Q336 VanDerWaalsContact C-N 3.32Å; W334-Q336 PolarHBondContact O-N 3.41Å; Q336-R339 PolarHBondContact O-N 3.22Å; Q336-T340 PolarHBondContact O-N 3.13Å; Q336-T340 PolarHBondContact O-OG1 3.44Å
337L92.1Very high90.8Very high5 Ų568.7 Ų68.73%0.02632%0.322CS..Hα-helixtrans-62.3-43.5176.4177.965.8000111.8K333 W334 H335 R339 T340 F346 N349 L350 M353K333-L337 VanDerWaalsContact O-CB 3.31Å; K333-L337 WeakPolarHBondContact O-CB 3.27Å; K333-L337 PolarHBondContact O-N 3.24Å; W334-L337 HydrophobicContact CE3-CD2 3.99Å; W334-L337 HydrophobicContact CZ3-CD2 3.93Å; W334-L337 WeakPolarHBondContact O-CB 3.47Å; W334-L337 PolarHBondContact O-N 2.95Å; W334-L337 VanDerWaalsContact O-N 3.16Å; H335-L337 VanDerWaalsContact C-N 3.34Å; L337-R339 PolarHBondContact O-N 3.32Å; L337-T340 WeakPolarHBondContact O-CB 3.42Å; L337-T340 PolarHBondContact O-N 3.45Å; L337-T340 PolarHBondContact O-OG1 2.79Å; L337-T340 VanDerWaalsContact O-OG1 3.12Å; L337-F346 HydrophobicContact CD1-CD2 3.81Å; L337-F346 HydrophobicContact CD1-CE2 4.31Å; L337-F346 HydrophobicContact CD1-CG 4.49Å; L337-F346 HydrophobicContact CD2-CD2 4.26Å; L337-F346 HydrophobicContact CD2-CE2 3.93Å; L337-F346 HydrophobicContact CG-CD2 3.68Å; L337-F346 HydrophobicContact CG-CE2 3.69Å; L337-N349 HydrophobicContact CD1-CB 3.43Å; L337-N349 VanDerWaalsContact CD1-CB 3.43Å; L337-L350 HydrophobicContact CD2-CB 3.83Å; L337-L350 HydrophobicContact CD2-CD1 3.79Å; L337-L350 HydrophobicContact CD2-CG 4.34Å; L337-M353 HydrophobicContact CB-SD 4.17Å; L337-M353 HydrophobicContact CD2-SD 3.7Å; L337-M353 HydrophobicContact CG-SD 4.41Å
338Q88.1Confident91.2Very high85 Ų8569.4 Ų69.440%0.39732%0.324SS..Hα-helixtrans-59.2-35.3178.8-73.5-179.1-43.800112.5W334 H335 T340W334-Q338 HydrophobicContact CZ2-CG 4.31Å; W334-Q338 WeakPolarHBondContact O-CG 3.47Å; W334-Q338 PolarHBondContact O-N 3.28Å; H335-Q338 PolarHBondContact O-N 2.94Å; Q338-T340 PolarHBondContact O-N 2.87Å
339R89.5Confident91.4Very high178 Ų17866.5 Ų66.567%0.67232%0.317SS*.THydrogen-bonded Turntrans-73.5-12.8176.4-64.6-178.7-173.894.7-5.8114.2H335 Q336 L337 Q341H335-R339 VanDerWaalsContact C-NH1 3.28Å; H335-R339 WeakPolarHBondContact O-CG 3.19Å; H335-R339 PolarHBondContact O-N 3.35Å; H335-R339 PolarHBondContact O-NH1 3.19Å; Q336-R339 PolarHBondContact O-N 3.22Å; L337-R339 PolarHBondContact O-N 3.32Å; R339-Q341 PolarHBondContact O-N 3.32Å
340T91.9Very high91.7Very high20 Ų2066 Ų6612%0.12331%0.314CS..  trans-65128.3-178.4-62.20000110.3Q336 L337 Q338 K345 R397Q336-T340 PolarHBondContact O-N 3.13Å; Q336-T340 PolarHBondContact O-OG1 3.44Å; L337-T340 WeakPolarHBondContact O-CB 3.42Å; L337-T340 PolarHBondContact O-N 3.45Å; L337-T340 PolarHBondContact O-OG1 2.79Å; L337-T340 VanDerWaalsContact O-OG1 3.12Å; Q338-T340 PolarHBondContact O-N 2.87Å; T340-K345 HydrophobicContact CG2-CB 3.68Å; T340-K345 HydrophobicContact CG2-CD 3.52Å; T340-K345 HydrophobicContact CG2-CG 3.44Å; T340-K345 VanDerWaalsContact CG2-CG 3.44Å; T340-R397 PolarHBondContact O-NH1 3.39Å; T340-R397 PolarHBondContact O-NH2 3.03Å
341Q89.6Confident91.8Very high159 Ų15961.5 Ų61.574%0.74329%0.293SS*.  trans-81.3133.2178-66-62.1-26.900112.4R339R339-Q341 PolarHBondContact O-N 3.32Å
342G91.8Very high92.1Very high37 Ų3760.3 Ų60.338%0.38129%0.29SS..SBendtrans88.6135.6173.700000116S344 K345 F346G342-S344 VanDerWaalsContact C-N 3.27Å; G342-S344 PolarHBondContact O-N 3.24Å; G342-K345 PolarHBondContact O-N 3.36Å; G342-F346 PolarHBondContact O-N 3.3Å
343D92.8Very high92.2Very high18 Ų1855.3 Ų55.310%0.09627%0.268CS..Hα-helixtrans-55.1-38-177-57.7-13.3000113.5T347 L394 R411 Y418D343-T347 WeakPolarHBondContact O-CB 3.46Å; D343-T347 PolarHBondContact O-N 2.89Å; D343-T347 PolarHBondContact O-OG1 3.46Å; D343-L394 HydrophobicContact CB-CD1 4.07Å; D343-R411 IonicContact OD1-NH1 3.05Å; D343-R411 WeakPolarHBondContact OD2-CD 3.49Å; D343-R411 WeakPolarHBondContact OD2-CG 3.15Å; D343-R411 IonicContact OD2-NH1 2.74Å; D343-Y418 HydrophobicContact CB-CE2 4.06Å
344S93.9Very high92.2Very high37 Ų3751.1 Ų51.126%0.25925%0.25SC..Hα-helixtrans-63.5-54.2179.7-177.70000110.8G342 F346 T347 K348 Y418G342-S344 VanDerWaalsContact C-N 3.27Å; G342-S344 PolarHBondContact O-N 3.24Å; S344-F346 VanDerWaalsContact C-N 3.35Å; S344-F346 PolarHBondContact O-N 2.94Å; S344-T347 PolarHBondContact O-N 2.92Å; S344-K348 WeakPolarHBondContact O-CB 3.21Å; S344-K348 WeakPolarHBondContact O-CG 3.25Å; S344-K348 PolarHBondContact O-N 2.9Å; S344-K348 WeakPolarHBondContact OG-CE 3.34Å; S344-Y418 WeakPolarHBondContact OG-CD1 3.13Å
345K93.6Very high92.2Very high128 Ų12851.6 Ų51.656%0.55725%0.251SS*.Hα-helixtrans-65.3-41.9-177.2-165.3176.9170.9179.40110.7T340 G342 K348 N349T340-K345 HydrophobicContact CG2-CB 3.68Å; T340-K345 HydrophobicContact CG2-CD 3.52Å; T340-K345 HydrophobicContact CG2-CG 3.44Å; T340-K345 VanDerWaalsContact CG2-CG 3.44Å; G342-K345 PolarHBondContact O-N 3.36Å; K345-K348 PolarHBondContact O-N 3.28Å; K345-N349 WeakPolarHBondContact O-CB 3.32Å; K345-N349 VanDerWaalsContact O-CG 3.29Å; K345-N349 PolarHBondContact O-N 3.07Å
346F95.1Very high92.2Very high4 Ų449.6 Ų49.62%0.01825%0.25CC..Hα-helixtrans-56.7-55.3173178.2-99.2000112.1L337 G342 S344 K348 N349 L350 C393 L394L337-F346 HydrophobicContact CD1-CD2 3.81Å; L337-F346 HydrophobicContact CD1-CE2 4.31Å; L337-F346 HydrophobicContact CD1-CG 4.49Å; L337-F346 HydrophobicContact CD2-CD2 4.26Å; L337-F346 HydrophobicContact CD2-CE2 3.93Å; L337-F346 HydrophobicContact CG-CD2 3.68Å; L337-F346 HydrophobicContact CG-CE2 3.69Å; G342-F346 PolarHBondContact O-N 3.3Å; S344-F346 VanDerWaalsContact C-N 3.35Å; S344-F346 PolarHBondContact O-N 2.94Å; F346-K348 VanDerWaalsContact C-N 3.32Å; F346-K348 PolarHBondContact O-N 2.82Å; F346-N349 PolarHBondContact O-N 3.2Å; F346-L350 HydrophobicContact CE1-CD2 3.99Å; F346-L350 HydrophobicContact CZ-CD2 4.24Å; F346-L350 VanDerWaalsContact O-CB 3.27Å; F346-L350 WeakPolarHBondContact O-CB 3.35Å; F346-L350 PolarHBondContact O-N 3.29Å; F346-C393 HydrophobicContact CZ-CB 4.47Å; F346-L394 HydrophobicContact CD1-CD1 3.92Å; F346-L394 HydrophobicContact CE1-CB 4.46Å; F346-L394 HydrophobicContact CE1-CD1 4.27Å
347T95.4Very high92.1Very high0 Ų047 Ų470%024%0.243CC..Hα-helixtrans-61.7-40.3-178.1-55.80000111.9D343 S344 A351 V390 V415 Y418 I419D343-T347 WeakPolarHBondContact O-CB 3.46Å; D343-T347 PolarHBondContact O-N 2.89Å; D343-T347 PolarHBondContact O-OG1 3.46Å; S344-T347 PolarHBondContact O-N 2.92Å; T347-A351 WeakPolarHBondContact O-CB 3.49Å; T347-A351 PolarHBondContact O-N 3.4Å; T347-V390 HydrophobicContact CG2-CG1 3.94Å; T347-V415 HydrophobicContact CG2-CG1 4.15Å; T347-Y418 HydrophobicContact CG2-CD2 4.34Å; T347-I419 HydrophobicContact CG2-CG1 4.09Å
348K94.6Very high91.7Very high32 Ų3251.7 Ų51.714%0.13927%0.265CS..Hα-helixtrans-66.6-40.6179.6-70.2-172-176.6-175.40112.2S344 K345 F346 V352 E421 K422 D425S344-K348 WeakPolarHBondContact O-CB 3.21Å; S344-K348 WeakPolarHBondContact O-CG 3.25Å; S344-K348 PolarHBondContact O-N 2.9Å; S344-K348 WeakPolarHBondContact OG-CE 3.34Å; K345-K348 PolarHBondContact O-N 3.28Å; F346-K348 VanDerWaalsContact C-N 3.32Å; F346-K348 PolarHBondContact O-N 2.82Å; K348-V352 PolarHBondContact O-N 3.21Å; K348-E421 WeakPolarHBondContact CE-OE2 3.44Å; K348-E421 IonicContact NZ-OE2 3.03Å; K348-E421 PolarHBondContact NZ-OE2 3.15Å; K348-K422 HydrophobicContact CB-CB 4.16Å; K348-K422 HydrophobicContact CB-CD 4.06Å; K348-K422 HydrophobicContact CB-CG 4.16Å; K348-K422 HydrophobicContact CD-CB 4.22Å; K348-K422 HydrophobicContact CD-CD 4.48Å; K348-K422 HydrophobicContact CG-CB 3.89Å; K348-K422 HydrophobicContact CG-CD 4.49Å; K348-K422 HydrophobicContact CG-CG 4.43Å; K348-D425 IonicContact NZ-OD2 2.59Å
349N94.4Very high91.7Very high56 Ų5650 Ų5030%0.29926%0.261SS..Hα-helixtrans-73.6-41.8178.4-72-2.6000111.2L337 K345 F346 A351 V352 M353L337-N349 HydrophobicContact CD1-CB 3.43Å; L337-N349 VanDerWaalsContact CD1-CB 3.43Å; K345-N349 WeakPolarHBondContact O-CB 3.32Å; K345-N349 VanDerWaalsContact O-CG 3.29Å; K345-N349 PolarHBondContact O-N 3.07Å; F346-N349 PolarHBondContact O-N 3.2Å; N349-A351 VanDerWaalsContact C-N 3.26Å; N349-A351 PolarHBondContact O-N 2.82Å; N349-V352 PolarHBondContact O-N 3.01Å; N349-M353 PolarHBondContact O-N 3.46Å
350L93.9Very high91.6Very high0 Ų041.6 Ų41.60%023%0.229CC..Hα-helixtrans-57.3-40.7172.9-176.354.3000111.8L323 W334 L337 F346 V352 M353 I354 V390 C393L323-L350 HydrophobicContact CD1-CD1 3.98Å; W334-L350 HydrophobicContact CZ3-CD1 3.89Å; L337-L350 HydrophobicContact CD2-CB 3.83Å; L337-L350 HydrophobicContact CD2-CD1 3.79Å; L337-L350 HydrophobicContact CD2-CG 4.34Å; F346-L350 HydrophobicContact CE1-CD2 3.99Å; F346-L350 HydrophobicContact CZ-CD2 4.24Å; F346-L350 VanDerWaalsContact O-CB 3.27Å; F346-L350 WeakPolarHBondContact O-CB 3.35Å; F346-L350 PolarHBondContact O-N 3.29Å; L350-V352 VanDerWaalsContact C-N 3.33Å; L350-V352 PolarHBondContact O-N 3.39Å; L350-M353 PolarHBondContact O-N 3.42Å; L350-I354 HydrophobicContact CD1-CD1 3.73Å; L350-I354 HydrophobicContact CD1-CG1 4.08Å; L350-I354 HydrophobicContact CD2-CD1 4.45Å; L350-I354 HydrophobicContact CG-CD1 3.78Å; L350-I354 HydrophobicContact CG-CG1 4.47Å; L350-I354 WeakPolarHBondContact O-CG1 3.31Å; L350-I354 PolarHBondContact O-N 3.13Å; L350-V390 HydrophobicContact CD2-CB 4.48Å; L350-V390 HydrophobicContact CD2-CG1 4.25Å; L350-V390 HydrophobicContact CD2-CG2 4.34Å; L350-V390 HydrophobicContact CG-CG2 4.37Å; L350-C393 HydrophobicContact CD2-CB 3.57Å
351A93.6Very high91.2Very high0 Ų043.2 Ų43.20%024%0.235CC..Hα-helixtrans-62-40.8175.700000112.1T347 N349 M353 I354 W355 L360 I419T347-A351 WeakPolarHBondContact O-CB 3.49Å; T347-A351 PolarHBondContact O-N 3.4Å; N349-A351 VanDerWaalsContact C-N 3.26Å; N349-A351 PolarHBondContact O-N 2.82Å; A351-M353 VanDerWaalsContact C-N 3.33Å; A351-M353 PolarHBondContact O-N 3.3Å; A351-I354 PolarHBondContact O-N 3.4Å; A351-W355 HydrophobicContact CB-CE3 3.95Å; A351-W355 HydrophobicContact CB-CZ3 3.93Å; A351-W355 VanDerWaalsContact O-CE3 3.3Å; A351-W355 PolarHBondContact O-N 3.09Å; A351-L360 HydrophobicContact CB-CD1 4.33Å; A351-I419 HydrophobicContact CB-CG1 4.39Å
352V93.1Very high90.9Very high40 Ų4039.5 Ų39.524%0.24222%0.22CC..Hα-helixtrans-64.9-39.3174.8177.10000110.9K348 N349 L350 I354 G356 T357 L360 K422 I426K348-V352 PolarHBondContact O-N 3.21Å; N349-V352 PolarHBondContact O-N 3.01Å; L350-V352 VanDerWaalsContact C-N 3.33Å; L350-V352 PolarHBondContact O-N 3.39Å; V352-I354 PolarHBondContact O-N 3.05Å; V352-G356 WeakPolarHBondContact O-CA 3.37Å; V352-G356 PolarHBondContact O-N 3.17Å; V352-T357 HydrophobicContact CG1-CG2 4.04Å; V352-L360 HydrophobicContact CG2-CD1 4.08Å; V352-K422 HydrophobicContact CG2-CD 4.37Å; V352-K422 HydrophobicContact CG2-CG 4.32Å; V352-I426 HydrophobicContact CG2-CD1 4.43Å
353M90.8Very high90.5Very high54 Ų5442.3 Ų42.327%0.26622%0.219SC..Hα-helixtrans-64.2-38.6176.9-70.1175.764.300113V329 K333 W334 L337 N349 L350 A351V329-M353 HydrophobicContact CB-CE 3.63Å; V329-M353 HydrophobicContact CG1-CB 4.24Å; V329-M353 HydrophobicContact CG1-CE 3.82Å; V329-M353 HydrophobicContact CG2-CE 4.02Å; K333-M353 HydrophobicContact CB-CE 3.94Å; K333-M353 HydrophobicContact CB-SD 4.49Å; W334-M353 HydrophobicContact CB-CE 4.5Å; L337-M353 HydrophobicContact CB-SD 4.17Å; L337-M353 HydrophobicContact CD2-SD 3.7Å; L337-M353 HydrophobicContact CG-SD 4.41Å; N349-M353 PolarHBondContact O-N 3.46Å; L350-M353 PolarHBondContact O-N 3.42Å; A351-M353 VanDerWaalsContact C-N 3.33Å; A351-M353 PolarHBondContact O-N 3.3Å
354I90.9Very high89.9Confident8 Ų842.5 Ų42.54%0.04122%0.221CC..Hα-helixtrans-81.1-36.6-174.8-72.6173.4000113.6L323 I327 L350 A351 V352 K386 I389 V390L323-I354 HydrophobicContact CD1-CG1 4.41Å; I327-I354 HydrophobicContact CD1-CG2 3.91Å; I327-I354 HydrophobicContact CG2-CG1 4.38Å; L350-I354 HydrophobicContact CD1-CD1 3.73Å; L350-I354 HydrophobicContact CD1-CG1 4.08Å; L350-I354 HydrophobicContact CD2-CD1 4.45Å; L350-I354 HydrophobicContact CG-CD1 3.78Å; L350-I354 HydrophobicContact CG-CG1 4.47Å; L350-I354 WeakPolarHBondContact O-CG1 3.31Å; L350-I354 PolarHBondContact O-N 3.13Å; A351-I354 PolarHBondContact O-N 3.4Å; V352-I354 PolarHBondContact O-N 3.05Å; I354-K386 HydrophobicContact CG2-CB 3.92Å; I354-K386 HydrophobicContact CG2-CD 3.82Å; I354-K386 HydrophobicContact CG2-CG 4.23Å; I354-K386 PolarHBondContact O-NZ 2.85Å; I354-I389 HydrophobicContact CD1-CG2 4.31Å; I354-V390 HydrophobicContact CD1-CG2 3.48Å; I354-V390 VanDerWaalsContact CD1-CG2 3.48Å
355W91.1Very high88.8Confident16 Ų1641.3 Ų41.36%0.06121%0.212CC..Hα-helixtrans-110.7-25.3-175-71.8-79.9000113.6A351 T359 L360 L382 K386 L387 V390A351-W355 HydrophobicContact CB-CE3 3.95Å; A351-W355 HydrophobicContact CB-CZ3 3.93Å; A351-W355 VanDerWaalsContact O-CE3 3.3Å; A351-W355 PolarHBondContact O-N 3.09Å; W355-T359 HydrophobicContact CB-CG2 4.2Å; W355-T359 WeakPolarHBondContact O-CB 3.44Å; W355-T359 PolarHBondContact O-OG1 2.84Å; W355-L360 HydrophobicContact CB-CD2 3.95Å; W355-L360 HydrophobicContact CB-CG 3.87Å; W355-L360 HydrophobicContact CD2-CD2 4.35Å; W355-L360 HydrophobicContact CE3-CD2 4.28Å; W355-L360 HydrophobicContact CG-CD2 4.23Å; W355-L382 HydrophobicContact CD2-CD2 4.38Å; W355-L382 HydrophobicContact CG-CD2 4.28Å; W355-L382 HydrophobicContact CZ2-CB 4.43Å; W355-L382 HydrophobicContact CZ2-CD1 4.43Å; W355-K386 HydrophobicContact CH2-CB 4.14Å; W355-K386 HydrophobicContact CZ2-CB 3.31Å; W355-L387 HydrophobicContact CH2-CD2 3.88Å; W355-L387 HydrophobicContact CH2-CG 4.18Å; W355-L387 HydrophobicContact CZ2-CD2 4.21Å; W355-L387 HydrophobicContact CZ2-CG 4.06Å; W355-V390 HydrophobicContact CH2-CG2 3.56Å; W355-V390 HydrophobicContact CZ3-CG2 3.59Å
356G90.2Very high87.6Confident28 Ų2839.7 Ų39.729%0.28921%0.214SC..Hα-helixtrans77.4161.6-167.600000112.8V352 L360V352-G356 WeakPolarHBondContact O-CA 3.37Å; V352-G356 PolarHBondContact O-N 3.17Å; G356-L360 VanDerWaalsContact O-CG 3.27Å; G356-L360 WeakPolarHBondContact O-CG 3.02Å; G356-L360 PolarHBondContact O-N 2.98Å
357T88.3Confident86.3Confident82 Ų8240.4 Ų40.450%0.50322%0.222SC..Hα-helixtrans-63.8-42.7178.845.90000112.1V352 L360 K361V352-T357 HydrophobicContact CG1-CG2 4.04Å; T357-L360 PolarHBondContact O-N 2.75Å; T357-K361 PolarHBondContact O-N 3.26Å
358E83.5Confident85Confident104 Ų10445.1 Ų45.149%0.48625%0.251SS..Hα-helixtrans-66.4-43.7-176.2-171.953-148.100112.6L360 K361 N362E358-L360 VanDerWaalsContact C-N 3.32Å; E358-L360 PolarHBondContact O-N 3.44Å; E358-K361 WeakPolarHBondContact O-CB 3.41Å; E358-K361 PolarHBondContact O-N 3.42Å; E358-N362 PolarHBondContact O-N 2.96Å; E358-N362 PolarHBondContact O-ND2 3.29Å; E358-N362 PolarHBondContact OE1-ND2 2.77Å
359T86.9Confident83.4Confident50 Ų5045.3 Ų45.331%0.30726%0.258SS..Hα-helixtrans-63.6-39.8175.1-52.80000111.7W355 N362 R363W355-T359 HydrophobicContact CB-CG2 4.2Å; W355-T359 WeakPolarHBondContact O-CB 3.44Å; W355-T359 PolarHBondContact O-OG1 2.84Å; T359-N362 PolarHBondContact O-N 3.38Å; T359-R363 HydrophobicContact CG2-CG 4.43Å; T359-R363 WeakPolarHBondContact O-CB 3.49Å; T359-R363 WeakPolarHBondContact O-CG 3.37Å; T359-R363 PolarHBondContact O-N 3.41Å
360L88.5Confident82Confident1 Ų146.9 Ų46.91%0.00527%0.27CS..Hα-helixtrans-69.8-35-179.7-72.9176000112.4A351 V352 W355 G356 T357 E358 N362 L382 I423 I426A351-L360 HydrophobicContact CB-CD1 4.33Å; V352-L360 HydrophobicContact CG2-CD1 4.08Å; W355-L360 HydrophobicContact CB-CD2 3.95Å; W355-L360 HydrophobicContact CB-CG 3.87Å; W355-L360 HydrophobicContact CD2-CD2 4.35Å; W355-L360 HydrophobicContact CE3-CD2 4.28Å; W355-L360 HydrophobicContact CG-CD2 4.23Å; G356-L360 VanDerWaalsContact O-CG 3.27Å; G356-L360 WeakPolarHBondContact O-CG 3.02Å; G356-L360 PolarHBondContact O-N 2.98Å; T357-L360 PolarHBondContact O-N 2.75Å; E358-L360 VanDerWaalsContact C-N 3.32Å; E358-L360 PolarHBondContact O-N 3.44Å; L360-N362 VanDerWaalsContact C-N 3.3Å; L360-N362 PolarHBondContact O-N 3.48Å; L360-L382 HydrophobicContact CD2-CD1 4.32Å; L360-L382 HydrophobicContact CD2-CD2 4.04Å; L360-I423 HydrophobicContact CB-CG1 4.24Å; L360-I423 HydrophobicContact CD2-CD1 4.3Å; L360-I423 HydrophobicContact CD2-CG1 4.06Å; L360-I423 WeakPolarHBondContact O-CG2 3.41Å; L360-I426 HydrophobicContact CB-CD1 3.79Å; L360-I426 HydrophobicContact CD1-CD1 3.78Å; L360-I426 HydrophobicContact CG-CD1 4.47Å
361K83.4Confident80.5Confident54 Ų5456.9 Ų56.924%0.23531%0.313CS..Hα-helixtrans-57.1-44.4174179.6-164.5-171.9172.40111.4T357 E358 K379 I426 N427 I430T357-K361 PolarHBondContact O-N 3.26Å; E358-K361 WeakPolarHBondContact O-CB 3.41Å; E358-K361 PolarHBondContact O-N 3.42Å; K361-K379 PolarHBondContact O-NZ 3.07Å; K361-I426 HydrophobicContact CB-CG2 4.26Å; K361-N427 PolarHBondContact O-OD1 3.41Å; K361-I430 HydrophobicContact CB-CD1 4.1Å; K361-I430 HydrophobicContact CD-CD1 3.5Å; K361-I430 HydrophobicContact CG-CD1 3.65Å
362N82.5Confident79Confident80 Ų8066.4 Ų66.443%0.42836%0.355SS..Hα-helixtrans-92.1-5.7-169.2-62.7-33.1000114.4E358 T359 L360E358-N362 PolarHBondContact O-N 2.96Å; E358-N362 PolarHBondContact O-ND2 3.29Å; E358-N362 PolarHBondContact OE1-ND2 2.77Å; T359-N362 PolarHBondContact O-N 3.38Å; L360-N362 VanDerWaalsContact C-N 3.3Å; L360-N362 PolarHBondContact O-N 3.48Å
363R83.4Confident77.7Confident97 Ų9771.9 Ų71.937%0.36638%0.375SS..  trans-117.3172.5-178.2-65.6-168.6-178.2-148.95.9113.3T359 P380 P381 L382T359-R363 HydrophobicContact CG2-CG 4.43Å; T359-R363 WeakPolarHBondContact O-CB 3.49Å; T359-R363 WeakPolarHBondContact O-CG 3.37Å; T359-R363 PolarHBondContact O-N 3.41Å; R363-P380 CarbonylContact C-O 3.51Å; R363-P380 WeakPolarHBondContact CA-O 3.45Å; R363-P380 WeakPolarHBondContact CB-O 3.43Å; R363-P381 PolarHBondContact NH1-O 3.43Å; R363-L382 HydrophobicContact CB-CD2 3.81Å
364S80.1Confident75.8Confident21 Ų2179.2 Ų79.215%0.14741%0.405CS..BIsolated β-bridgetrans-131.5159.3170.969.60000110.8T366 G367 K379 P380 P381 L382S364-T366 VanDerWaalsContact C-N 3.32Å; S364-T366 PolarHBondContact O-N 2.77Å; S364-G367 WeakPolarHBondContact OG-CA 3.4Å; S364-G367 PolarHBondContact OG-N 3.49Å; S364-K379 PolarHBondContact OG-O 3.45Å; S364-P380 PolarHBondContact N-O 3.27Å; S364-P381 CarbonylContact O-C 3.58Å; S364-P381 VanDerWaalsContact O-C 3.32Å; S364-P381 WeakPolarHBondContact O-CA 3.28Å; S364-L382 PolarHBondContact O-N 3.29Å
365V71.5Confident74.2Confident12 Ų1285.9 Ų85.97%0.07344%0.441CS..SBendtrans-64.8-37.2-178.5178.80000112.1L382 N416 I419 C420 I423V365-L382 HydrophobicContact CG2-CD1 4.07Å; V365-N416 HydrophobicContact CG1-CB 4.18Å; V365-I419 HydrophobicContact CG2-CB 3.93Å; V365-I419 HydrophobicContact CG2-CG2 3.56Å; V365-C420 HydrophobicContact CG2-CB 4.48Å; V365-C420 WeakPolarHBondContact CG2-SG 3.18Å; V365-I423 HydrophobicContact CG2-CD1 4.07Å
366T67.6Low72.8Confident95 Ų9586.7 Ų86.758%0.58345%0.452SS*.SBendtrans-115-11-172.456.20000114.7S364 V368S364-T366 VanDerWaalsContact C-N 3.32Å; S364-T366 PolarHBondContact O-N 2.77Å; T366-V368 PolarHBondContact O-N 3.19Å
367G68.8Low71.2Confident18 Ų1892.9 Ų92.919%0.18648%0.477CS..  trans83.4-7-173.200000114.5S364 P378 K379S364-G367 WeakPolarHBondContact OG-CA 3.4Å; S364-G367 PolarHBondContact OG-N 3.49Å; G367-P378 WeakPolarHBondContact O-CB 3.42Å; G367-K379 VanDerWaalsContact CA-O 3.26Å; G367-K379 WeakPolarHBondContact CA-O 3.27Å
368V68.2Low70.2Confident100 Ų10093 Ų9361%0.60648%0.479SS*.PPolyproline II helixtrans-87.3125.4-169-176.60000111T366T366-V368 PolarHBondContact O-N 3.19Å
369A61.7Low69.9Low36 Ų3691.9 Ų91.930%0.29847%0.473SS..PPolyproline II helixtrans-60.7139.4172.900000111.4K371 A376 P378A369-K371 PolarHBondContact O-N 2.98Å; A369-A376 VanDerWaalsContact CB-O 3.29Å; A369-A376 WeakPolarHBondContact CB-O 3.43Å; A369-P378 HydrophobicContact CB-CB 4.11Å
370T65.1Low69.3Low89 Ų8993.2 Ų93.255%0.54648%0.482SS..PPolyproline II helixtrans-65.8118.8178.9-61.70000110.4K372 K373T370-K372 HydrophobicContact CG2-CB 3.8Å; T370-K372 HydrophobicContact CG2-CG 4.16Å; T370-K372 PolarHBondContact O-N 3.45Å; T370-K373 PolarHBondContact O-N 3.06Å; T370-K373 VanDerWaalsContact O-N 3.16Å
371K61.1Low69Low210 Ų21096.6 Ų96.691%0.91350%0.504SS*.THydrogen-bonded Turntrans-57.8-16176.8-63.9-176.8-179.8-178.80115.2A369A369-K371 PolarHBondContact O-N 2.98Å
372K63.1Low69Low200 Ų20094.1 Ų94.187%0.8749%0.493SS*.THydrogen-bonded Turntrans-77.1-15.8178.9-62.6-175.3174-178.90114.3T370T370-K372 HydrophobicContact CG2-CB 3.8Å; T370-K372 HydrophobicContact CG2-CG 4.16Å; T370-K372 PolarHBondContact O-N 3.45Å
373K64.7Low69Low155 Ų15592 Ų9267%0.67449%0.485SS*.SBendtrans-119.7117.5177.5-78.7-171.9175.3-174.90108.6T370 D375 A376T370-K373 PolarHBondContact O-N 3.06Å; T370-K373 VanDerWaalsContact O-N 3.16Å; K373-D375 PolarHBondContact O-N 3.31Å; K373-A376 HydrophobicContact CB-CB 3.7Å; K373-A376 PolarHBondContact O-N 3.33Å
374K50.9Low68.9Low207 Ų20792.3 Ų92.390%0.950%0.499SS*.THydrogen-bonded Turntrans-61-28.3-174.1-155.7179.1177.9-172.10112.9
375D57.8Low69.1Low149 Ų14995 Ų9580%0.79752%0.518SS*.THydrogen-bonded Turntrans-119.323.4-175.7-44.6-53.9000113.3K373 L377K373-D375 PolarHBondContact O-N 3.31Å; D375-L377 PolarHBondContact O-N 2.95Å
376A61.2Low69.8Low33 Ų3397.7 Ų97.727%0.27353%0.529SS..  trans-73.9114.8176.900000110.8A369 K373A369-A376 VanDerWaalsContact CB-O 3.29Å; A369-A376 WeakPolarHBondContact CB-O 3.43Å; K373-A376 HydrophobicContact CB-CB 3.7Å; K373-A376 PolarHBondContact O-N 3.33Å
377L57.1Low70.8Confident158 Ų15893.8 Ų93.883%0.82750%0.504SS*.PPolyproline II helixtrans-63.3134.5170.6-66.9173000110.3D375 K379D375-L377 PolarHBondContact O-N 2.95Å; L377-K379 PolarHBondContact O-N 2.9Å
378P67.5Low71.8Confident84 Ų8498.9 Ų98.955%0.54552%0.522SS..PPolyproline II helixtrans-65.1124.2176.624.9-30.8000110.1G367 A369G367-P378 WeakPolarHBondContact O-CB 3.42Å; A369-P378 HydrophobicContact CB-CB 4.11Å
379K76.3Confident72.8Confident81 Ų8194.5 Ų94.535%0.35250%0.495SS..PPolyproline II helixtrans-78.6139.8172.9-67.9-173.2176-1700109.5K361 S364 G367 L377K361-K379 PolarHBondContact O-NZ 3.07Å; S364-K379 PolarHBondContact OG-O 3.45Å; G367-K379 VanDerWaalsContact CA-O 3.26Å; G367-K379 WeakPolarHBondContact CA-O 3.27Å; L377-K379 PolarHBondContact O-N 2.9Å
380P75.5Confident74.2Confident77 Ų7792.9 Ų92.950%0.548%0.481SS..PPolyproline II helixtrans-53.8145.1179.3-24.432.6000113.1R363 S364R363-P380 CarbonylContact C-O 3.51Å; R363-P380 WeakPolarHBondContact CA-O 3.45Å; R363-P380 WeakPolarHBondContact CB-O 3.43Å; S364-P380 PolarHBondContact N-O 3.27Å
381P81.6Confident75.5Confident72 Ų7292.7 Ų92.747%0.46847%0.47SS..BIsolated β-bridgetrans-67155.3177.727.5-33.5000112.4R363 S364R363-P381 PolarHBondContact NH1-O 3.43Å; S364-P381 CarbonylContact O-C 3.58Å; S364-P381 VanDerWaalsContact O-C 3.32Å; S364-P381 WeakPolarHBondContact O-CA 3.28Å
382L82.6Confident77Confident2 Ų286.6 Ų86.61%0.0145%0.445CS..PPolyproline II helixtrans-68150.7167.8-70.2178.4000110.5W355 L360 R363 S364 V365 P384 L387 I419 I423W355-L382 HydrophobicContact CD2-CD2 4.38Å; W355-L382 HydrophobicContact CG-CD2 4.28Å; W355-L382 HydrophobicContact CZ2-CB 4.43Å; W355-L382 HydrophobicContact CZ2-CD1 4.43Å; L360-L382 HydrophobicContact CD2-CD1 4.32Å; L360-L382 HydrophobicContact CD2-CD2 4.04Å; R363-L382 HydrophobicContact CB-CD2 3.81Å; S364-L382 PolarHBondContact O-N 3.29Å; V365-L382 HydrophobicContact CG2-CD1 4.07Å; L382-P384 VanDerWaalsContact O-CD 3.31Å; L382-P384 WeakPolarHBondContact O-CD 3.49Å; L382-L387 HydrophobicContact CB-CD1 4.13Å; L382-L387 HydrophobicContact CB-CG 4.33Å; L382-L387 HydrophobicContact CD1-CD2 4.39Å; L382-I419 HydrophobicContact CD1-CG2 3.6Å; L382-I423 HydrophobicContact CD1-CD1 4.27Å
383S82.5Confident78.4Confident36 Ų3677.2 Ų77.225%0.25240%0.404SS..PPolyproline II helixtrans-60.8120.6179.2-177.70000111S385 K386 L387S383-S385 VanDerWaalsContact C-N 3.27Å; S383-S385 PolarHBondContact O-N 3.06Å; S383-S385 PolarHBondContact OG-OG 3.16Å; S383-K386 PolarHBondContact O-N 2.86Å; S383-L387 PolarHBondContact O-N 2.9Å
384P82.8Confident79.7Confident103 Ų10369.8 Ų69.867%0.66937%0.372SS*.Hα-helixtrans-60.6-33.1-178.9-25.535000113.8L382 L387 K388L382-P384 VanDerWaalsContact O-CD 3.31Å; L382-P384 WeakPolarHBondContact O-CD 3.49Å; P384-L387 PolarHBondContact O-N 3.22Å; P384-K388 PolarHBondContact O-N 3.35Å
385S83.6Confident81.7Confident77 Ų7765.5 Ų65.554%0.53835%0.351SS..Hα-helixtrans-65.9-44.9177.255.60000111.8S383 L387 K388 I389S383-S385 VanDerWaalsContact C-N 3.27Å; S383-S385 PolarHBondContact O-N 3.06Å; S383-S385 PolarHBondContact OG-OG 3.16Å; S385-L387 VanDerWaalsContact C-N 3.32Å; S385-L387 PolarHBondContact O-N 3.17Å; S385-K388 WeakPolarHBondContact O-CB 3.47Å; S385-K388 PolarHBondContact O-N 2.96Å; S385-I389 PolarHBondContact O-N 3.41Å
386K86.6Confident83.3Confident70 Ų7060 Ų6030%0.30432%0.321SS..Hα-helixtrans-64.8-35174.9-62.5-165.3163.8-1650112.2I327 I354 W355 S383 I389 V390I327-K386 HydrophobicContact CD1-CB 4.3Å; I327-K386 HydrophobicContact CD1-CD 4.2Å; I327-K386 HydrophobicContact CD1-CG 3.79Å; I354-K386 HydrophobicContact CG2-CB 3.92Å; I354-K386 HydrophobicContact CG2-CD 3.82Å; I354-K386 HydrophobicContact CG2-CG 4.23Å; I354-K386 PolarHBondContact O-NZ 2.85Å; W355-K386 HydrophobicContact CH2-CB 4.14Å; W355-K386 HydrophobicContact CZ2-CB 3.31Å; S383-K386 PolarHBondContact O-N 2.86Å; K386-I389 PolarHBondContact O-N 3.28Å; K386-V390 PolarHBondContact O-N 3.01Å
387L88.9Confident84.7Confident12 Ų1259.7 Ų59.76%0.06331%0.313CS..Hα-helixtrans-66.8-35.2173.7-80171.5000112.9W355 L382 S383 P384 S385 I389 V390 R391 I419W355-L387 HydrophobicContact CH2-CD2 3.88Å; W355-L387 HydrophobicContact CH2-CG 4.18Å; W355-L387 HydrophobicContact CZ2-CD2 4.21Å; W355-L387 HydrophobicContact CZ2-CG 4.06Å; L382-L387 HydrophobicContact CB-CD1 4.13Å; L382-L387 HydrophobicContact CB-CG 4.33Å; L382-L387 HydrophobicContact CD1-CD2 4.39Å; S383-L387 PolarHBondContact O-N 2.9Å; P384-L387 PolarHBondContact O-N 3.22Å; S385-L387 VanDerWaalsContact C-N 3.32Å; S385-L387 PolarHBondContact O-N 3.17Å; L387-I389 VanDerWaalsContact C-N 3.34Å; L387-V390 PolarHBondContact O-N 3.12Å; L387-R391 WeakPolarHBondContact O-CG 3.49Å; L387-R391 PolarHBondContact O-N 3.28Å; L387-I419 HydrophobicContact CD2-CD1 3.44Å; L387-I419 VanDerWaalsContact CD2-CD1 3.44Å
388K88.3Confident86.3Confident126 Ų12652.2 Ų52.255%0.54827%0.274SS..Hα-helixtrans-61.2-45.8174.3-174.8179170.3-174.10110.5P384 S385 V390 R391 E392P384-K388 PolarHBondContact O-N 3.35Å; S385-K388 WeakPolarHBondContact O-CB 3.47Å; S385-K388 PolarHBondContact O-N 2.96Å; K388-V390 VanDerWaalsContact C-N 3.34Å; K388-V390 PolarHBondContact O-N 3.35Å; K388-R391 WeakPolarHBondContact O-CB 3.39Å; K388-R391 PolarHBondContact O-N 3.33Å; K388-E392 WeakPolarHBondContact CE-OE1 3.46Å; K388-E392 IonicContact NZ-OE1 3.05Å; K388-E392 WeakPolarHBondContact O-CG 3.37Å; K388-E392 PolarHBondContact O-N 3.35Å
389I90.1Very high87.4Confident8 Ų850.6 Ų50.64%0.04127%0.265CS..Hα-helixtrans-59.1-42.7177.5-67159.5000111.9L323 G324 I327 I354 S385 K386 L387 R391 E392 C393L323-I389 HydrophobicContact CB-CG2 3.96Å; L323-I389 WeakPolarHBondContact O-CG2 3.39Å; G324-I389 VanDerWaalsContact O-CD1 3.27Å; G324-I389 WeakPolarHBondContact O-CD1 3.38Å; I327-I389 HydrophobicContact CD1-CD1 3.39Å; I327-I389 HydrophobicContact CG1-CD1 3.96Å; I354-I389 HydrophobicContact CD1-CG2 4.31Å; S385-I389 PolarHBondContact O-N 3.41Å; K386-I389 PolarHBondContact O-N 3.28Å; L387-I389 VanDerWaalsContact C-N 3.34Å; I389-R391 VanDerWaalsContact C-N 3.29Å; I389-R391 PolarHBondContact O-N 2.99Å; I389-E392 PolarHBondContact O-N 3.38Å; I389-C393 WeakPolarHBondContact O-CB 3.36Å; I389-C393 PolarHBondContact O-N 3.41Å; I389-C393 PolarHBondContact O-SG 3.17Å
390V91.9Very high87.9Confident1 Ų154 Ų541%0.00628%0.282CS..Hα-helixtrans-59.6-40.7174.9173.80000112.2T347 L350 I354 W355 K386 L387 K388 L394 V415 I419T347-V390 HydrophobicContact CG2-CG1 3.94Å; L350-V390 HydrophobicContact CD2-CB 4.48Å; L350-V390 HydrophobicContact CD2-CG1 4.25Å; L350-V390 HydrophobicContact CD2-CG2 4.34Å; L350-V390 HydrophobicContact CG-CG2 4.37Å; I354-V390 HydrophobicContact CD1-CG2 3.48Å; I354-V390 VanDerWaalsContact CD1-CG2 3.48Å; W355-V390 HydrophobicContact CH2-CG2 3.56Å; W355-V390 HydrophobicContact CZ3-CG2 3.59Å; K386-V390 PolarHBondContact O-N 3.01Å; L387-V390 PolarHBondContact O-N 3.12Å; K388-V390 VanDerWaalsContact C-N 3.34Å; K388-V390 PolarHBondContact O-N 3.35Å; V390-L394 PolarHBondContact O-N 2.99Å; V390-V415 HydrophobicContact CG1-CG1 3.83Å; V390-I419 HydrophobicContact CG1-CD1 4.41Å
391R92.5Very high88.6Confident85 Ų8555.1 Ų55.132%0.32128%0.281SS..Hα-helixtrans-68-39.2178-67.8-176.1-168.4107.66.5111.5L387 K388 I389 L394 Y395 V415 N416L387-R391 WeakPolarHBondContact O-CG 3.49Å; L387-R391 PolarHBondContact O-N 3.28Å; K388-R391 WeakPolarHBondContact O-CB 3.39Å; K388-R391 PolarHBondContact O-N 3.33Å; I389-R391 VanDerWaalsContact C-N 3.29Å; I389-R391 PolarHBondContact O-N 2.99Å; R391-L394 PolarHBondContact O-N 3.42Å; R391-Y395 VanDerWaalsContact O-CB 3.29Å; R391-Y395 WeakPolarHBondContact O-CB 3.09Å; R391-Y395 PolarHBondContact O-N 3.47Å; R391-V415 HydrophobicContact CG-CG1 4.19Å; R391-V415 HydrophobicContact CG-CG2 4.4Å; R391-N416 PolarHBondContact NH2-OD1 2.88Å
392E91.9Very high88.9Confident83 Ų8353 Ų5339%0.38827%0.266SS..Hα-helixtrans-64-47.8175.4-71.3171167.300111K388 I389 L394 Y395 D396K388-E392 WeakPolarHBondContact CE-OE1 3.46Å; K388-E392 IonicContact NZ-OE1 3.05Å; K388-E392 WeakPolarHBondContact O-CG 3.37Å; K388-E392 PolarHBondContact O-N 3.35Å; I389-E392 PolarHBondContact O-N 3.38Å; E392-L394 VanDerWaalsContact C-N 3.32Å; E392-L394 PolarHBondContact O-N 3.29Å; E392-Y395 WeakPolarHBondContact O-CB 3.27Å; E392-Y395 PolarHBondContact O-N 3.02Å; E392-Y395 VanDerWaalsContact O-N 3.09Å; E392-D396 PolarHBondContact O-N 3.35Å
393C91.5Very high89.3Confident2 Ų257.8 Ų57.81%0.01431%0.307CS..Hα-helixtrans-60.2-39.8176.7-66.80000112.7W334 F346 L350 I389 R397W334-C393 HydrophobicContact CH2-CB 4.36Å; F346-C393 HydrophobicContact CZ-CB 4.47Å; L350-C393 HydrophobicContact CD2-CB 3.57Å; I389-C393 WeakPolarHBondContact O-CB 3.36Å; I389-C393 PolarHBondContact O-N 3.41Å; I389-C393 PolarHBondContact O-SG 3.17Å; C393-R397 PolarHBondContact O-N 2.88Å
394L92.6Very high89.8Confident0 Ų060.1 Ų60.10%032%0.316CS..Hα-helixtrans-71-37.5175.5-176.366000111.5D343 F346 V390 R391 E392 R397 V398 L412 V415D343-L394 HydrophobicContact CB-CD1 4.07Å; F346-L394 HydrophobicContact CD1-CD1 3.92Å; F346-L394 HydrophobicContact CE1-CB 4.46Å; F346-L394 HydrophobicContact CE1-CD1 4.27Å; V390-L394 PolarHBondContact O-N 2.99Å; R391-L394 PolarHBondContact O-N 3.42Å; E392-L394 VanDerWaalsContact C-N 3.32Å; E392-L394 PolarHBondContact O-N 3.29Å; L394-R397 PolarHBondContact O-N 3.33Å; L394-V398 HydrophobicContact CD1-CG2 4.01Å; L394-V398 HydrophobicContact CG-CG2 4.14Å; L394-V398 VanDerWaalsContact O-CG2 3.27Å; L394-V398 WeakPolarHBondContact O-CG2 3.38Å; L394-V398 PolarHBondContact O-N 3.39Å; L394-L412 HydrophobicContact CD2-CD1 4.35Å; L394-L412 HydrophobicContact CG-CD1 4.3Å; L394-V415 HydrophobicContact CD2-CG2 3.36Å
395Y93Very high90.1Very high116 Ų11659.2 Ų59.246%0.45531%0.312SS..Hα-helixtrans-59.2-51.3175.1178.2-90.5000111.1R391 E392 R397 V398 S399 I408 L412R391-Y395 VanDerWaalsContact O-CB 3.29Å; R391-Y395 WeakPolarHBondContact O-CB 3.09Å; R391-Y395 PolarHBondContact O-N 3.47Å; E392-Y395 WeakPolarHBondContact O-CB 3.27Å; E392-Y395 PolarHBondContact O-N 3.02Å; E392-Y395 VanDerWaalsContact O-N 3.09Å; Y395-R397 PolarHBondContact O-N 3.2Å; Y395-V398 PolarHBondContact O-N 3.21Å; Y395-S399 VanDerWaalsContact O-CB 3.26Å; Y395-S399 WeakPolarHBondContact O-CB 3.38Å; Y395-S399 PolarHBondContact O-N 3.44Å; Y395-S399 PolarHBondContact O-OG 3.24Å; Y395-I408 HydrophobicContact CD2-CG2 3.56Å; Y395-I408 HydrophobicContact CE2-CG2 3.71Å; Y395-L412 HydrophobicContact CD2-CD2 4.25Å
396D90.7Very high90.5Very high33 Ų3358.6 Ų58.618%0.17631%0.312CS..Hα-helixtrans-55.7-44-180-67.3-20.3000110.8Y314 E392 S399 Q400Y314-D396 PolarHBondContact OH-OD2 3.15Å; E392-D396 PolarHBondContact O-N 3.35Å; D396-S399 PolarHBondContact O-OG 3.01Å; D396-Q400 WeakPolarHBondContact O-CG 3.49Å; D396-Q400 PolarHBondContact O-N 2.82Å; D396-Q400 PolarHBondContact O-NE2 2.93Å
397R90.3Very high90.8Very high28 Ų2858 Ų5811%0.10631%0.311CS..Hα-helixtrans-63.3-53.3176.3179.7-178173.3137.97112.8T340 C393 L394 Y395 S399 Q400 E401T340-R397 PolarHBondContact O-NH1 3.39Å; T340-R397 PolarHBondContact O-NH2 3.03Å; C393-R397 PolarHBondContact O-N 2.88Å; L394-R397 PolarHBondContact O-N 3.33Å; Y395-R397 PolarHBondContact O-N 3.2Å; R397-S399 VanDerWaalsContact C-N 3.27Å; R397-S399 PolarHBondContact O-N 2.67Å; R397-Q400 WeakPolarHBondContact O-CB 3.35Å; R397-Q400 PolarHBondContact O-N 3.42Å; R397-Q400 VanDerWaalsContact O-N 3.16Å; R397-E401 IonicContact NE-OE1 2.72Å; R397-E401 IonicContact NH2-OE1 2.73Å
398V91.4Very high90.9Very high0 Ų058.1 Ų58.10%031%0.311CS..Hα-helixtrans-66.7-33.5-175.9178.50000110.9L394 Y395 Q400 E401 T402 I408 R411L394-V398 HydrophobicContact CD1-CG2 4.01Å; L394-V398 HydrophobicContact CG-CG2 4.14Å; L394-V398 VanDerWaalsContact O-CG2 3.27Å; L394-V398 WeakPolarHBondContact O-CG2 3.38Å; L394-V398 PolarHBondContact O-N 3.39Å; Y395-V398 PolarHBondContact O-N 3.21Å; V398-Q400 PolarHBondContact O-N 3.19Å; V398-E401 WeakPolarHBondContact O-CB 3.27Å; V398-E401 PolarHBondContact O-N 3.02Å; V398-T402 HydrophobicContact CG1-CG2 3.79Å; V398-T402 PolarHBondContact O-N 3.08Å; V398-I408 HydrophobicContact CG1-CB 4.39Å; V398-I408 HydrophobicContact CG1-CG1 3.8Å; V398-R411 HydrophobicContact CG2-CB 4.41Å
399S90.3Very high91.1Very high51 Ų5156.2 Ų56.236%0.35731%0.31SS..Hα-helixtrans-64.7-22.8176.274.20000113.7Y395 D396 R397Y395-S399 VanDerWaalsContact O-CB 3.26Å; Y395-S399 WeakPolarHBondContact O-CB 3.38Å; Y395-S399 PolarHBondContact O-N 3.44Å; Y395-S399 PolarHBondContact O-OG 3.24Å; D396-S399 PolarHBondContact O-OG 3.01Å; R397-S399 VanDerWaalsContact C-N 3.27Å; R397-S399 PolarHBondContact O-N 2.67Å
400Q88.1Confident91.3Very high152 Ų15261.6 Ų61.671%0.7134%0.335SS*.Hα-helixtrans-78.8-24.9171.7-66.9166.535.400112.1D396 R397 V398D396-Q400 WeakPolarHBondContact O-CG 3.49Å; D396-Q400 PolarHBondContact O-N 2.82Å; D396-Q400 PolarHBondContact O-NE2 2.93Å; R397-Q400 WeakPolarHBondContact O-CB 3.35Å; R397-Q400 PolarHBondContact O-N 3.42Å; R397-Q400 VanDerWaalsContact O-N 3.16Å; V398-Q400 PolarHBondContact O-N 3.19Å
401E88.9Confident91.4Very high100 Ų10063.9 Ų63.947%0.46734%0.343SS..Hα-helixtrans-88-37-179.9-64.7177.9-164.500112.4R397 V398 R411R397-E401 IonicContact NE-OE1 2.72Å; R397-E401 IonicContact NH2-OE1 2.73Å; V398-E401 WeakPolarHBondContact O-CB 3.27Å; V398-E401 PolarHBondContact O-N 3.02Å; E401-R411 IonicContact OE2-CZ 2.71Å; E401-R411 IonicContact OE2-NH1 2.79Å; E401-R411 PolarHBondContact OE2-NH1 2.97Å; E401-R411 IonicContact OE2-NH2 2.68Å
402T88.3Confident91.4Very high27 Ų2761.6 Ų61.617%0.16634%0.337CS..  trans-146.8141.5-174.9-1780000111.3V398 D404 E407 I408V398-T402 HydrophobicContact CG1-CG2 3.79Å; V398-T402 PolarHBondContact O-N 3.08Å; T402-D404 PolarHBondContact OG1-N 3.03Å; T402-D404 VanDerWaalsContact OG1-N 3.17Å; T402-E407 HydrophobicContact CG2-CB 4.4Å; T402-E407 HydrophobicContact CG2-CG 4.3Å; T402-E407 PolarHBondContact OG1-OE2 3.38Å; T402-E407 VanDerWaalsContact OG1-OE2 3.1Å; T402-I408 HydrophobicContact CG2-CG1 4.1Å
403A90.6Very high91.5Very high104 Ų10461.7 Ų61.786%0.8635%0.347SS*.  trans-91.4-0.6171.500000112.6S405A403-S405 PolarHBondContact O-N 3.39Å
404D93.9Very high91.6Very high84 Ų8465.1 Ų65.145%0.44936%0.362SS..  trans-76.7109.4179.6-178.28.5000111.6T402 A406 E407 I408T402-D404 PolarHBondContact OG1-N 3.03Å; T402-D404 VanDerWaalsContact OG1-N 3.17Å; D404-A406 PolarHBondContact O-N 2.86Å; D404-A406 WeakPolarHBondContact OD1-CB 3.37Å; D404-A406 PolarHBondContact OD1-N 3.45Å; D404-E407 HydrophobicContact CB-CB 4.06Å; D404-E407 PolarHBondContact O-N 3.34Å; D404-I408 VanDerWaalsContact O-CG1 3.29Å; D404-I408 WeakPolarHBondContact O-CG1 3.36Å; D404-I408 PolarHBondContact O-N 3.47Å
405S88.7Confident91.7Very high84 Ų8465.1 Ų65.159%0.58736%0.362SS*.Hα-helixtrans-59.5-30.5177.6-174.60000113.6A403 T409A403-S405 PolarHBondContact O-N 3.39Å; S405-T409 WeakPolarHBondContact O-CB 3.41Å; S405-T409 PolarHBondContact O-N 2.93Å; S405-T409 VanDerWaalsContact O-N 3.14Å; S405-T409 PolarHBondContact O-OG1 3.34Å
406A91.6Very high91.6Very high65 Ų6562.6 Ų62.654%0.53736%0.356SS..Hα-helixtrans-71.3-44.4179.500000110.7D404 T409 Q410D404-A406 PolarHBondContact O-N 2.86Å; D404-A406 WeakPolarHBondContact OD1-CB 3.37Å; D404-A406 PolarHBondContact OD1-N 3.45Å; A406-T409 PolarHBondContact O-N 2.92Å; A406-Q410 WeakPolarHBondContact O-CB 3.21Å; A406-Q410 PolarHBondContact O-N 2.84Å
407E93.3Very high91.8Very high58 Ų5867 Ų6727%0.27137%0.374SS..Hα-helixtrans-63.2-45.4175.6-171.5179.5179.600111.9T402 D404 T409 Q410 R411T402-E407 HydrophobicContact CG2-CB 4.4Å; T402-E407 HydrophobicContact CG2-CG 4.3Å; T402-E407 PolarHBondContact OG1-OE2 3.38Å; T402-E407 VanDerWaalsContact OG1-OE2 3.1Å; D404-E407 HydrophobicContact CB-CB 4.06Å; D404-E407 PolarHBondContact O-N 3.34Å; E407-T409 VanDerWaalsContact C-N 3.33Å; E407-T409 PolarHBondContact O-N 2.91Å; E407-Q410 WeakPolarHBondContact O-CB 3.16Å; E407-Q410 PolarHBondContact O-N 2.71Å; E407-Q410 VanDerWaalsContact O-N 3.16Å; E407-R411 WeakPolarHBondContact O-CG 3.45Å; E407-R411 PolarHBondContact O-N 3.05Å; E407-R411 IonicContact OE1-CZ 3.32Å; E407-R411 VanDerWaalsContact OE1-CZ 3.25Å; E407-R411 IonicContact OE1-NE 3.54Å; E407-R411 PolarHBondContact OE1-NE 3.19Å; E407-R411 IonicContact OE1-NH2 2.64Å; E407-R411 PolarHBondContact OE1-NH2 3.08Å
408I92.1Very high92Very high13 Ų1367.1 Ų67.17%0.06737%0.374CS..Hα-helixtrans-55.3-50.2176.2-67.2164.6000110.2Y395 V398 T402 D404 Q410 R411 L412Y395-I408 HydrophobicContact CD2-CG2 3.56Å; Y395-I408 HydrophobicContact CE2-CG2 3.71Å; V398-I408 HydrophobicContact CG1-CB 4.39Å; V398-I408 HydrophobicContact CG1-CG1 3.8Å; T402-I408 HydrophobicContact CG2-CG1 4.1Å; D404-I408 VanDerWaalsContact O-CG1 3.29Å; D404-I408 WeakPolarHBondContact O-CG1 3.36Å; D404-I408 PolarHBondContact O-N 3.47Å; I408-Q410 VanDerWaalsContact C-N 3.31Å; I408-Q410 PolarHBondContact O-N 2.82Å; I408-R411 PolarHBondContact O-N 3.21Å; I408-L412 HydrophobicContact CG2-CD1 3.9Å; I408-L412 WeakPolarHBondContact O-CB 3.42Å; I408-L412 VanDerWaalsContact O-CD1 3.27Å; I408-L412 WeakPolarHBondContact O-CD1 3.41Å; I408-L412 PolarHBondContact O-N 3.11Å
409T92.3Very high92Very high87 Ų8767.1 Ų67.153%0.53437%0.374SS..Hα-helixtrans-61.3-41.6179.7-56.60000111.5S405 A406 E407 L412 S413S405-T409 WeakPolarHBondContact O-CB 3.41Å; S405-T409 PolarHBondContact O-N 2.93Å; S405-T409 VanDerWaalsContact O-N 3.14Å; S405-T409 PolarHBondContact O-OG1 3.34Å; A406-T409 PolarHBondContact O-N 2.92Å; E407-T409 VanDerWaalsContact C-N 3.33Å; E407-T409 PolarHBondContact O-N 2.91Å; T409-L412 PolarHBondContact O-N 3.2Å; T409-S413 PolarHBondContact O-N 3.24Å
410Q94.1Very high92Very high120 Ų12067.1 Ų67.156%0.56137%0.374SS*.Hα-helixtrans-63.9-42.1178.3-167.8-173.118.700111.9A406 E407 I408 S413A406-Q410 WeakPolarHBondContact O-CB 3.21Å; A406-Q410 PolarHBondContact O-N 2.84Å; E407-Q410 WeakPolarHBondContact O-CB 3.16Å; E407-Q410 PolarHBondContact O-N 2.71Å; E407-Q410 VanDerWaalsContact O-N 3.16Å; I408-Q410 VanDerWaalsContact C-N 3.31Å; I408-Q410 PolarHBondContact O-N 2.82Å; Q410-S413 PolarHBondContact O-OG 3.44Å
411R93.4Very high92.2Very high49 Ų4962.5 Ų62.519%0.18535%0.352CS..Hα-helixtrans-67-45.7177-71.2177.6178.4-151.117.7111.3D343 V398 E401 E407 I408 S413 K414D343-R411 IonicContact OD1-NH1 3.05Å; D343-R411 WeakPolarHBondContact OD2-CD 3.49Å; D343-R411 WeakPolarHBondContact OD2-CG 3.15Å; D343-R411 IonicContact OD2-NH1 2.74Å; V398-R411 HydrophobicContact CG2-CB 4.41Å; E401-R411 IonicContact OE2-CZ 2.71Å; E401-R411 IonicContact OE2-NH1 2.79Å; E401-R411 PolarHBondContact OE2-NH1 2.97Å; E401-R411 IonicContact OE2-NH2 2.68Å; E407-R411 WeakPolarHBondContact O-CG 3.45Å; E407-R411 PolarHBondContact O-N 3.05Å; E407-R411 IonicContact OE1-CZ 3.32Å; E407-R411 VanDerWaalsContact OE1-CZ 3.25Å; E407-R411 IonicContact OE1-NE 3.54Å; E407-R411 PolarHBondContact OE1-NE 3.19Å; E407-R411 IonicContact OE1-NH2 2.64Å; E407-R411 PolarHBondContact OE1-NH2 3.08Å; I408-R411 PolarHBondContact O-N 3.21Å; R411-S413 VanDerWaalsContact C-N 3.29Å; R411-S413 PolarHBondContact O-N 3.2Å; R411-K414 WeakPolarHBondContact O-CB 3.48Å; R411-K414 PolarHBondContact O-N 3.31Å; R411-K414 VanDerWaalsContact O-N 3.14Å
412L93.8Very high92.4Very high37 Ų3760 Ų6019%0.19434%0.34CS..Hα-helixtrans-61.2-33.7177.1-95.170.5000113.4L394 Y395 I408 T409 K414 V415L394-L412 HydrophobicContact CD2-CD1 4.35Å; L394-L412 HydrophobicContact CG-CD1 4.3Å; Y395-L412 HydrophobicContact CD2-CD2 4.25Å; I408-L412 HydrophobicContact CG2-CD1 3.9Å; I408-L412 WeakPolarHBondContact O-CB 3.42Å; I408-L412 VanDerWaalsContact O-CD1 3.27Å; I408-L412 WeakPolarHBondContact O-CD1 3.41Å; I408-L412 PolarHBondContact O-N 3.11Å; T409-L412 PolarHBondContact O-N 3.2Å; L412-K414 PolarHBondContact O-N 3.04Å; L412-V415 WeakPolarHBondContact O-CB 3.46Å; L412-V415 VanDerWaalsContact O-CG2 3.26Å; L412-V415 WeakPolarHBondContact O-CG2 3.31Å; L412-V415 PolarHBondContact O-N 3.01Å; L412-V415 VanDerWaalsContact O-N 3.11Å
413S93.2Very high92.5Very high85 Ų8559.3 Ų59.359%0.59434%0.335SS*.THydrogen-bonded Turntrans-58.7-22.6178.277.60000113.3T409 Q410 R411T409-S413 PolarHBondContact O-N 3.24Å; Q410-S413 PolarHBondContact O-OG 3.44Å; R411-S413 VanDerWaalsContact C-N 3.29Å; R411-S413 PolarHBondContact O-N 3.2Å
414K94.3Very high92.4Very high75 Ų7559.9 Ų59.933%0.32632%0.321SS..THydrogen-bonded Turntrans-86.9-7.7-177.8-59.1172.9-170.7165.90113.5R411 L412 N416 K417 Y418R411-K414 WeakPolarHBondContact O-CB 3.48Å; R411-K414 PolarHBondContact O-N 3.31Å; R411-K414 VanDerWaalsContact O-N 3.14Å; L412-K414 PolarHBondContact O-N 3.04Å; K414-N416 PolarHBondContact O-N 2.94Å; K414-K417 WeakPolarHBondContact O-CA 3.38Å; K414-K417 VanDerWaalsContact O-CB 3.32Å; K414-K417 WeakPolarHBondContact O-CB 3.2Å; K414-K417 PolarHBondContact O-N 3.41Å; K414-Y418 HydrophobicContact CB-CD2 4.17Å; K414-Y418 HydrophobicContact CB-CE1 4.26Å; K414-Y418 HydrophobicContact CB-CE2 3.52Å; K414-Y418 WeakPolarHBondContact CD-OH 3.49Å; K414-Y418 WeakPolarHBondContact O-CD2 3.29Å; K414-Y418 PolarHBondContact O-N 3.26Å
415V94.2Very high92.3Very high0 Ų059.6 Ų59.60%032%0.32CS..Hα-helixtrans-53.5-50.6-178.6168.70000111.9T347 V390 R391 L394 L412 K417 Y418 I419T347-V415 HydrophobicContact CG2-CG1 4.15Å; V390-V415 HydrophobicContact CG1-CG1 3.83Å; R391-V415 HydrophobicContact CG-CG1 4.19Å; R391-V415 HydrophobicContact CG-CG2 4.4Å; L394-V415 HydrophobicContact CD2-CG2 3.36Å; L412-V415 WeakPolarHBondContact O-CB 3.46Å; L412-V415 VanDerWaalsContact O-CG2 3.26Å; L412-V415 WeakPolarHBondContact O-CG2 3.31Å; L412-V415 PolarHBondContact O-N 3.01Å; L412-V415 VanDerWaalsContact O-N 3.11Å; V415-K417 PolarHBondContact O-N 3.36Å; V415-Y418 PolarHBondContact O-N 3.06Å; V415-Y418 VanDerWaalsContact O-N 3.17Å; V415-I419 HydrophobicContact CG1-CD1 3.8Å; V415-I419 HydrophobicContact CG1-CG1 4.49Å; V415-I419 WeakPolarHBondContact O-CG1 3.45Å; V415-I419 PolarHBondContact O-N 3.21Å
416N91.6Very high92.3Very high62 Ų6256.2 Ų56.233%0.33230%0.295SS..Hα-helixtrans-61.9-36.1-179.5-68.3-7.5000111.6V365 R391 K414 C420V365-N416 HydrophobicContact CG1-CB 4.18Å; R391-N416 PolarHBondContact NH2-OD1 2.88Å; K414-N416 PolarHBondContact O-N 2.94Å; N416-C420 WeakPolarHBondContact O-CB 3.34Å; N416-C420 PolarHBondContact O-N 3.21Å; N416-C420 PolarHBondContact O-SG 3.43Å
417K92.9Very high92.1Very high126 Ų12655.5 Ų55.555%0.54828%0.282SS..Hα-helixtrans-64.2-47.3176.1178.9-176.4173-177.40110.8K414 V415 I419 C420 E421K414-K417 WeakPolarHBondContact O-CA 3.38Å; K414-K417 VanDerWaalsContact O-CB 3.32Å; K414-K417 WeakPolarHBondContact O-CB 3.2Å; K414-K417 PolarHBondContact O-N 3.41Å; V415-K417 PolarHBondContact O-N 3.36Å; K417-I419 PolarHBondContact O-N 3.37Å; K417-C420 WeakPolarHBondContact O-CB 3.49Å; K417-C420 PolarHBondContact O-N 3.16Å; K417-E421 WeakPolarHBondContact CE-OE1 3.35Å; K417-E421 WeakPolarHBondContact O-CG 3.26Å; K417-E421 PolarHBondContact O-N 2.86Å
418Y94.9Very high91.9Very high30 Ų3059.4 Ų59.412%0.11830%0.298CS..Hα-helixtrans-62.8-40.6179.9-60.2-37.6000112.7D343 S344 T347 K414 V415 E421 K422D343-Y418 HydrophobicContact CB-CE2 4.06Å; S344-Y418 WeakPolarHBondContact OG-CD1 3.13Å; T347-Y418 HydrophobicContact CG2-CD2 4.34Å; K414-Y418 HydrophobicContact CB-CD2 4.17Å; K414-Y418 HydrophobicContact CB-CE1 4.26Å; K414-Y418 HydrophobicContact CB-CE2 3.52Å; K414-Y418 WeakPolarHBondContact CD-OH 3.49Å; K414-Y418 WeakPolarHBondContact O-CD2 3.29Å; K414-Y418 PolarHBondContact O-N 3.26Å; V415-Y418 PolarHBondContact O-N 3.06Å; V415-Y418 VanDerWaalsContact O-N 3.17Å; Y418-E421 PolarHBondContact O-N 2.88Å; Y418-K422 PolarHBondContact O-N 3.37Å
419I92.8Very high91.6Very high0 Ų062 Ų620%032%0.318CS..Hα-helixtrans-67-43.9177.1-60.7170.6000110.6T347 A351 V365 L382 L387 V390 V415 K417 E421 K422 I423T347-I419 HydrophobicContact CG2-CG1 4.09Å; A351-I419 HydrophobicContact CB-CG1 4.39Å; V365-I419 HydrophobicContact CG2-CB 3.93Å; V365-I419 HydrophobicContact CG2-CG2 3.56Å; L382-I419 HydrophobicContact CD1-CG2 3.6Å; L387-I419 HydrophobicContact CD2-CD1 3.44Å; L387-I419 VanDerWaalsContact CD2-CD1 3.44Å; V390-I419 HydrophobicContact CG1-CD1 4.41Å; V415-I419 HydrophobicContact CG1-CD1 3.8Å; V415-I419 HydrophobicContact CG1-CG1 4.49Å; V415-I419 WeakPolarHBondContact O-CG1 3.45Å; V415-I419 PolarHBondContact O-N 3.21Å; K417-I419 PolarHBondContact O-N 3.37Å; I419-E421 VanDerWaalsContact C-N 3.32Å; I419-E421 PolarHBondContact O-N 3.43Å; I419-K422 PolarHBondContact O-N 3.03Å; I419-I423 HydrophobicContact CG2-CD1 4.06Å; I419-I423 HydrophobicContact CG2-CG1 4.5Å; I419-I423 WeakPolarHBondContact O-CG1 3.29Å; I419-I423 PolarHBondContact O-N 2.94Å
420C89.2Confident91.2Very high52 Ų5259.9 Ų59.935%0.35130%0.303SS..Hα-helixtrans-56.7-46.1173.8-78.10000111.9V365 N416 K417 I423 M424V365-C420 HydrophobicContact CG2-CB 4.48Å; V365-C420 WeakPolarHBondContact CG2-SG 3.18Å; N416-C420 WeakPolarHBondContact O-CB 3.34Å; N416-C420 PolarHBondContact O-N 3.21Å; N416-C420 PolarHBondContact O-SG 3.43Å; K417-C420 WeakPolarHBondContact O-CB 3.49Å; K417-C420 PolarHBondContact O-N 3.16Å; C420-I423 PolarHBondContact O-N 3.23Å; C420-M424 WeakPolarHBondContact O-CG 3.4Å; C420-M424 PolarHBondContact O-N 3.06Å
421E92.9Very high90.6Very high54 Ų5459.6 Ų59.625%0.25230%0.3SS..Hα-helixtrans-58.9-46.5174.7-73.1175-169.100111.8K348 K417 Y418 I419 I423 M424 D425K348-E421 WeakPolarHBondContact CE-OE2 3.44Å; K348-E421 IonicContact NZ-OE2 3.03Å; K348-E421 PolarHBondContact NZ-OE2 3.15Å; K417-E421 WeakPolarHBondContact CE-OE1 3.35Å; K417-E421 WeakPolarHBondContact O-CG 3.26Å; K417-E421 PolarHBondContact O-N 2.86Å; Y418-E421 PolarHBondContact O-N 2.88Å; I419-E421 VanDerWaalsContact C-N 3.32Å; I419-E421 PolarHBondContact O-N 3.43Å; E421-I423 VanDerWaalsContact C-N 3.34Å; E421-I423 PolarHBondContact O-N 3.47Å; E421-M424 HydrophobicContact CB-CE 4.38Å; E421-M424 HydrophobicContact CG-CE 4.06Å; E421-M424 WeakPolarHBondContact O-CB 3.26Å; E421-M424 PolarHBondContact O-N 2.86Å; E421-M424 VanDerWaalsContact O-N 3.08Å; E421-D425 PolarHBondContact O-N 3.37Å
422K93.6Very high89.9Confident48 Ų4860.6 Ų60.621%0.20931%0.309CS..Hα-helixtrans-60.7-42.2178.1-173.553.9167.9-177.60112.6K348 V352 Y418 I419 M424 D425 I426K348-K422 HydrophobicContact CB-CB 4.16Å; K348-K422 HydrophobicContact CB-CD 4.06Å; K348-K422 HydrophobicContact CB-CG 4.16Å; K348-K422 HydrophobicContact CD-CB 4.22Å; K348-K422 HydrophobicContact CD-CD 4.48Å; K348-K422 HydrophobicContact CG-CB 3.89Å; K348-K422 HydrophobicContact CG-CD 4.49Å; K348-K422 HydrophobicContact CG-CG 4.43Å; V352-K422 HydrophobicContact CG2-CD 4.37Å; V352-K422 HydrophobicContact CG2-CG 4.32Å; Y418-K422 PolarHBondContact O-N 3.37Å; I419-K422 PolarHBondContact O-N 3.03Å; K422-M424 VanDerWaalsContact C-N 3.29Å; K422-M424 PolarHBondContact O-N 3.09Å; K422-D425 PolarHBondContact O-N 3.32Å; K422-I426 HydrophobicContact CD-CD1 4.25Å; K422-I426 HydrophobicContact CD-CG1 4.3Å; K422-I426 HydrophobicContact CG-CD1 3.98Å; K422-I426 HydrophobicContact CG-CG1 4.49Å; K422-I426 WeakPolarHBondContact O-CB 3.37Å; K422-I426 VanDerWaalsContact O-CG1 3.28Å; K422-I426 WeakPolarHBondContact O-CG1 3.4Å; K422-I426 PolarHBondContact O-N 3.02Å
423I90.4Very high89.4Confident13 Ų1362.4 Ų62.47%0.06732%0.316CS..Hα-helixtrans-61.2-41.4175.3-68.7170.1000110.2L360 V365 L382 I419 C420 E421 N427L360-I423 HydrophobicContact CB-CG1 4.24Å; L360-I423 HydrophobicContact CD2-CD1 4.3Å; L360-I423 HydrophobicContact CD2-CG1 4.06Å; L360-I423 WeakPolarHBondContact O-CG2 3.41Å; V365-I423 HydrophobicContact CG2-CD1 4.07Å; L382-I423 HydrophobicContact CD1-CD1 4.27Å; I419-I423 HydrophobicContact CG2-CD1 4.06Å; I419-I423 HydrophobicContact CG2-CG1 4.5Å; I419-I423 WeakPolarHBondContact O-CG1 3.29Å; I419-I423 PolarHBondContact O-N 2.94Å; C420-I423 PolarHBondContact O-N 3.23Å; E421-I423 VanDerWaalsContact C-N 3.34Å; E421-I423 PolarHBondContact O-N 3.47Å; I423-N427 WeakPolarHBondContact CG2-ND2 3.35Å; I423-N427 WeakPolarHBondContact O-CB 3.49Å; I423-N427 PolarHBondContact O-N 3.03Å; I423-N427 PolarHBondContact O-ND2 3.28Å
424M87.9Confident88.6Confident115 Ų11562.9 Ų62.957%0.56731%0.309SS*.Hα-helixtrans-64.2-43.8175.7-70.4-174-64.900112C420 E421 K422 N427 K428C420-M424 WeakPolarHBondContact O-CG 3.4Å; C420-M424 PolarHBondContact O-N 3.06Å; E421-M424 HydrophobicContact CB-CE 4.38Å; E421-M424 HydrophobicContact CG-CE 4.06Å; E421-M424 WeakPolarHBondContact O-CB 3.26Å; E421-M424 PolarHBondContact O-N 2.86Å; E421-M424 VanDerWaalsContact O-N 3.08Å; K422-M424 VanDerWaalsContact C-N 3.29Å; K422-M424 PolarHBondContact O-N 3.09Å; M424-N427 PolarHBondContact O-N 3.45Å; M424-K428 WeakPolarHBondContact O-CB 3.43Å; M424-K428 PolarHBondContact O-N 3.28Å
425D90.8Very high87.5Confident79 Ų7962.1 Ų62.142%0.42230%0.304SS..Hα-helixtrans-62.6-44.7179.1-65.3-27.2000111K348 E421 K422 K428 S429K348-D425 IonicContact NZ-OD2 2.59Å; E421-D425 PolarHBondContact O-N 3.37Å; K422-D425 PolarHBondContact O-N 3.32Å; D425-K428 PolarHBondContact O-N 3.17Å; D425-S429 WeakPolarHBondContact O-CB 3.26Å; D425-S429 PolarHBondContact O-N 3.37Å
426I90Very high86.6Confident13 Ų1367 Ų677%0.06732%0.323CS..Hα-helixtrans-58.5-51.1174.7-71167.1000110.7V352 L360 K361 K422 K428 S429 I430V352-I426 HydrophobicContact CG2-CD1 4.43Å; L360-I426 HydrophobicContact CB-CD1 3.79Å; L360-I426 HydrophobicContact CD1-CD1 3.78Å; L360-I426 HydrophobicContact CG-CD1 4.47Å; K361-I426 HydrophobicContact CB-CG2 4.26Å; K422-I426 HydrophobicContact CD-CD1 4.25Å; K422-I426 HydrophobicContact CD-CG1 4.3Å; K422-I426 HydrophobicContact CG-CD1 3.98Å; K422-I426 HydrophobicContact CG-CG1 4.49Å; K422-I426 WeakPolarHBondContact O-CB 3.37Å; K422-I426 VanDerWaalsContact O-CG1 3.28Å; K422-I426 WeakPolarHBondContact O-CG1 3.4Å; K422-I426 PolarHBondContact O-N 3.02Å; I426-K428 PolarHBondContact O-N 2.94Å; I426-S429 WeakPolarHBondContact O-CB 3.47Å; I426-S429 PolarHBondContact O-N 3.31Å; I426-I430 HydrophobicContact CG2-CD1 3.72Å; I426-I430 HydrophobicContact CG2-CG1 4.47Å; I426-I430 WeakPolarHBondContact O-CG1 3.46Å; I426-I430 PolarHBondContact O-N 2.8Å
427N87.6Confident85.7Confident50 Ų5069.1 Ų69.127%0.26733%0.33SS..Hα-helixtrans-62.8-32.6179.4-76-64.4000112.4K361 I423 M424 K431K361-N427 PolarHBondContact O-OD1 3.41Å; I423-N427 WeakPolarHBondContact CG2-ND2 3.35Å; I423-N427 WeakPolarHBondContact O-CB 3.49Å; I423-N427 PolarHBondContact O-N 3.03Å; I423-N427 PolarHBondContact O-ND2 3.28Å; M424-N427 PolarHBondContact O-N 3.45Å; N427-K431 PolarHBondContact O-N 2.93Å
428K88.9Confident84.6Confident139 Ų13964.9 Ų64.960%0.60432%0.316SS*.Hα-helixtrans-70.8-42175.3-174.9-175.8176.2-167.40111.4M424 D425 I426 N432M424-K428 WeakPolarHBondContact O-CB 3.43Å; M424-K428 PolarHBondContact O-N 3.28Å; D425-K428 PolarHBondContact O-N 3.17Å; I426-K428 PolarHBondContact O-N 2.94Å; K428-N432 VanDerWaalsContact O-CG 3.3Å; K428-N432 PolarHBondContact O-N 2.82Å; K428-N432 VanDerWaalsContact O-N 3.15Å
429S85.7Confident83.3Confident68 Ų6867.4 Ų67.448%0.47633%0.328SS..Hα-helixtrans-60.7-51.7177.8-159.30000110.7D425 I426 K431 N432 E433D425-S429 WeakPolarHBondContact O-CB 3.26Å; D425-S429 PolarHBondContact O-N 3.37Å; I426-S429 WeakPolarHBondContact O-CB 3.47Å; I426-S429 PolarHBondContact O-N 3.31Å; S429-K431 VanDerWaalsContact C-N 3.32Å; S429-K431 PolarHBondContact O-N 3.27Å; S429-N432 CarbonylContact O-C 3.57Å; S429-N432 WeakPolarHBondContact O-CA 3.27Å; S429-N432 WeakPolarHBondContact O-CB 3.34Å; S429-N432 PolarHBondContact O-N 3.25Å; S429-E433 PolarHBondContact O-N 2.68Å
430I84.1Confident82.1Confident42 Ų4271 Ų7122%0.21535%0.347CS..Hα-helixtrans-57.5-46179.9-66.4167.6000111.2K361 I426 N432 E433 E434K361-I430 HydrophobicContact CB-CD1 4.1Å; K361-I430 HydrophobicContact CD-CD1 3.5Å; K361-I430 HydrophobicContact CG-CD1 3.65Å; I426-I430 HydrophobicContact CG2-CD1 3.72Å; I426-I430 HydrophobicContact CG2-CG1 4.47Å; I426-I430 WeakPolarHBondContact O-CG1 3.46Å; I426-I430 PolarHBondContact O-N 2.8Å; I430-N432 PolarHBondContact O-N 3.41Å; I430-E433 WeakPolarHBondContact O-CB 3.43Å; I430-E433 PolarHBondContact O-N 3.19Å; I430-E433 VanDerWaalsContact O-N 3.13Å; I430-E434 HydrophobicContact CG2-CG 4.45Å; I430-E434 WeakPolarHBondContact O-CG 3.39Å; I430-E434 PolarHBondContact O-N 2.97Å
431K80.6Confident81.1Confident115 Ų11569.7 Ų69.750%0.534%0.336SS..Hα-helixtrans-67.4-18177.9-157.1-164.5163.7175.40113.3N427 S429 R435N427-K431 PolarHBondContact O-N 2.93Å; S429-K431 VanDerWaalsContact C-N 3.32Å; S429-K431 PolarHBondContact O-N 3.27Å; K431-R435 VanDerWaalsContact CG-NH2 3.3Å; K431-R435 WeakPolarHBondContact O-CG 3.41Å; K431-R435 PolarHBondContact O-NE 3.41Å; K431-R435 PolarHBondContact O-NH2 3.3Å
432N78.9Confident79.9Confident70 Ų7067.1 Ų67.137%0.37432%0.324SS..Hα-helixtrans-86-38173.4-74.7-8.1000110.3K428 S429 I430 R435 R436K428-N432 VanDerWaalsContact O-CG 3.3Å; K428-N432 PolarHBondContact O-N 2.82Å; K428-N432 VanDerWaalsContact O-N 3.15Å; S429-N432 CarbonylContact O-C 3.57Å; S429-N432 WeakPolarHBondContact O-CA 3.27Å; S429-N432 WeakPolarHBondContact O-CB 3.34Å; S429-N432 PolarHBondContact O-N 3.25Å; I430-N432 PolarHBondContact O-N 3.41Å; N432-R435 WeakPolarHBondContact O-CB 3.08Å; N432-R435 PolarHBondContact O-N 3.28Å; N432-R435 VanDerWaalsContact O-N 3.15Å; N432-R435 PolarHBondContact OD1-NH1 3.23Å; N432-R435 PolarHBondContact OD1-NH2 3.41Å; N432-R436 PolarHBondContact O-N 3.03Å
433E82.7Confident78.3Confident74 Ų7471.2 Ų71.235%0.34634%0.338SS..Hα-helixtrans-57.7-53173.5-149.658.2-143.700111.7S429 I430 R435 R436 E437S429-E433 PolarHBondContact O-N 2.68Å; I430-E433 WeakPolarHBondContact O-CB 3.43Å; I430-E433 PolarHBondContact O-N 3.19Å; I430-E433 VanDerWaalsContact O-N 3.13Å; E433-R435 PolarHBondContact O-N 3.16Å; E433-R436 WeakPolarHBondContact O-CA 3.33Å; E433-R436 WeakPolarHBondContact O-CB 3.42Å; E433-R436 PolarHBondContact O-N 2.95Å; E433-R436 IonicContact OE1-CZ 3.87Å; E433-R436 IonicContact OE1-NE 3.15Å; E433-R436 PolarHBondContact OE1-NE 3.42Å; E433-R436 IonicContact OE1-NH2 2.72Å; E433-R436 PolarHBondContact OE1-NH2 3.3Å; E433-E437 PolarHBondContact O-N 3.07Å
434E76.5Confident76.9Confident96 Ų9676.3 Ų76.345%0.44936%0.362SS..Hα-helixtrans-53.8-33.8175.4-70.9167.8178.100111.8I430 S438I430-E434 HydrophobicContact CG2-CG 4.45Å; I430-E434 WeakPolarHBondContact O-CG 3.39Å; I430-E434 PolarHBondContact O-N 2.97Å; E434-S438 WeakPolarHBondContact O-CB 3.34Å; E434-S438 PolarHBondContact O-N 3.11Å; E434-S438 PolarHBondContact O-OG 2.97Å
435R71.6Confident75.4Confident59 Ų5971.8 Ų71.822%0.22334%0.341CS..Hα-helixtrans-76.5-34.2176.3-72.3-174.7-135.2118.426.5112.5K431 N432 E433 K439K431-R435 VanDerWaalsContact CG-NH2 3.3Å; K431-R435 WeakPolarHBondContact O-CG 3.41Å; K431-R435 PolarHBondContact O-NE 3.41Å; K431-R435 PolarHBondContact O-NH2 3.3Å; N432-R435 WeakPolarHBondContact O-CB 3.08Å; N432-R435 PolarHBondContact O-N 3.28Å; N432-R435 VanDerWaalsContact O-N 3.15Å; N432-R435 PolarHBondContact OD1-NH1 3.23Å; N432-R435 PolarHBondContact OD1-NH2 3.41Å; E433-R435 PolarHBondContact O-N 3.16Å; R435-K439 VanDerWaalsContact O-CG 3.25Å; R435-K439 WeakPolarHBondContact O-CG 3.27Å; R435-K439 PolarHBondContact O-N 3.33Å; R435-K439 VanDerWaalsContact O-N 3.16Å
436R74.9Confident73.7Confident103 Ų10369.4 Ų69.439%0.38933%0.329SS..Hα-helixtrans-67.7-47.9176.4-174.7-170.864.271.17.8109.4N432 E433 S438 K439 L440N432-R436 PolarHBondContact O-N 3.03Å; E433-R436 WeakPolarHBondContact O-CA 3.33Å; E433-R436 WeakPolarHBondContact O-CB 3.42Å; E433-R436 PolarHBondContact O-N 2.95Å; E433-R436 IonicContact OE1-CZ 3.87Å; E433-R436 IonicContact OE1-NE 3.15Å; E433-R436 PolarHBondContact OE1-NE 3.42Å; E433-R436 IonicContact OE1-NH2 2.72Å; E433-R436 PolarHBondContact OE1-NH2 3.3Å; R436-S438 PolarHBondContact O-N 3.06Å; R436-K439 WeakPolarHBondContact O-CB 3.49Å; R436-K439 PolarHBondContact O-N 3.31Å; R436-K439 VanDerWaalsContact O-N 3.11Å; R436-L440 PolarHBondContact O-N 3.03Å
437E72.2Confident71.8Confident105 Ų10574 Ų7449%0.49135%0.349SS..Hα-helixtrans-57.7-48.2173.9-70.1175.7172.200111.4E433 K439 L440 L441E433-E437 PolarHBondContact O-N 3.07Å; E437-K439 PolarHBondContact O-N 3.2Å; E437-L440 PolarHBondContact O-N 2.96Å; E437-L440 VanDerWaalsContact O-N 3.15Å; E437-L441 WeakPolarHBondContact O-CB 3.48Å; E437-L441 PolarHBondContact O-N 2.98Å
438S69.9Low70Confident37 Ų3776 Ų7626%0.25936%0.358SS..Hα-helixtrans-57.1-36176.2-61.10000112.9E434 R436 I442E434-S438 WeakPolarHBondContact O-CB 3.34Å; E434-S438 PolarHBondContact O-N 3.11Å; E434-S438 PolarHBondContact O-OG 2.97Å; R436-S438 PolarHBondContact O-N 3.06Å; S438-I442 WeakPolarHBondContact O-CD1 3.5Å; S438-I442 VanDerWaalsContact O-CG1 3.28Å; S438-I442 WeakPolarHBondContact O-CG1 3.01Å; S438-I442 PolarHBondContact O-N 3.02Å
439K67.8Low68Low84 Ų8470.9 Ų70.937%0.36534%0.336SS..Hα-helixtrans-71.4-45.2176.8-73.4169.9176.1-163.80112I71 I72 R435 R436 E437 L441 I442 R443I71-K439 HydrophobicContact CG2-CG 4.45Å; I72-K439 VanDerWaalsContact CG1-CE 3.45Å; R435-K439 VanDerWaalsContact O-CG 3.25Å; R435-K439 WeakPolarHBondContact O-CG 3.27Å; R435-K439 PolarHBondContact O-N 3.33Å; R435-K439 VanDerWaalsContact O-N 3.16Å; R436-K439 WeakPolarHBondContact O-CB 3.49Å; R436-K439 PolarHBondContact O-N 3.31Å; R436-K439 VanDerWaalsContact O-N 3.11Å; E437-K439 PolarHBondContact O-N 3.2Å; K439-L441 VanDerWaalsContact C-N 3.28Å; K439-L441 PolarHBondContact O-N 3.39Å; K439-I442 PolarHBondContact O-N 3.3Å; K439-R443 PolarHBondContact O-N 2.93Å
440L68.3Low65.9Low75 Ų7573.1 Ų73.139%0.39334%0.342SS..Hα-helixtrans-61.7-41.8178.8-74.2174.9000110.9R436 E437 I442 R443 Q444R436-L440 PolarHBondContact O-N 3.03Å; E437-L440 PolarHBondContact O-N 2.96Å; E437-L440 VanDerWaalsContact O-N 3.15Å; L440-I442 PolarHBondContact O-N 3.01Å; L440-R443 CarbonylContact O-C 3.45Å; L440-R443 PolarHBondContact O-N 2.74Å; L440-R443 VanDerWaalsContact O-N 3.15Å; L440-Q444 WeakPolarHBondContact O-CB 3.47Å; L440-Q444 PolarHBondContact O-N 2.68Å
441L68.1Low63.7Low25 Ų2579.9 Ų79.913%0.13137%0.37CS..Hα-helixtrans-61.2-43.8178.9-163.763.6000112.2M12 C13 Y14 E437 K439 Q444 T445M12-L441 HydrophobicContact CB-CD2 4.25Å; M12-L441 HydrophobicContact CE-CD1 4.23Å; M12-L441 HydrophobicContact CE-CD2 3.62Å; M12-L441 HydrophobicContact SD-CD2 4.33Å; C13-L441 WeakPolarHBondContact O-CD2 3.32Å; Y14-L441 HydrophobicContact CD1-CD1 4.01Å; Y14-L441 HydrophobicContact CD1-CD2 4.02Å; Y14-L441 HydrophobicContact CD1-CG 3.64Å; Y14-L441 HydrophobicContact CE1-CD1 3.35Å; Y14-L441 HydrophobicContact CE1-CD2 3.77Å; Y14-L441 HydrophobicContact CE1-CG 3.47Å; Y14-L441 VanDerWaalsContact CE1-CG 3.47Å; E437-L441 WeakPolarHBondContact O-CB 3.48Å; E437-L441 PolarHBondContact O-N 2.98Å; K439-L441 VanDerWaalsContact C-N 3.28Å; K439-L441 PolarHBondContact O-N 3.39Å; L441-Q444 PolarHBondContact O-N 3.47Å; L441-T445 PolarHBondContact O-N 2.93Å; L441-T445 PolarHBondContact O-OG1 3.14Å
442I66.6Low61.9Low0 Ų078.9 Ų78.90%037%0.374CS..Hα-helixtrans-60.3-47.5173.1-71.1166.3000110.8F4 A15 V64 E68 I71 S438 K439 L440 Q444 T445 V446F4-I442 HydrophobicContact CD2-CD1 4.24Å; F4-I442 HydrophobicContact CD2-CG1 4.35Å; F4-I442 HydrophobicContact CE2-CD1 3.5Å; F4-I442 HydrophobicContact CE2-CG1 3.65Å; F4-I442 HydrophobicContact CZ-CD1 4.17Å; A15-I442 HydrophobicContact CB-CG1 4.4Å; A15-I442 HydrophobicContact CB-CG2 3.97Å; V64-I442 HydrophobicContact CG1-CG2 3.44Å; V64-I442 VanDerWaalsContact CG1-CG2 3.44Å; E68-I442 HydrophobicContact CG-CG2 4.1Å; I71-I442 HydrophobicContact CD1-CD1 3.11Å; S438-I442 WeakPolarHBondContact O-CD1 3.5Å; S438-I442 VanDerWaalsContact O-CG1 3.28Å; S438-I442 WeakPolarHBondContact O-CG1 3.01Å; S438-I442 PolarHBondContact O-N 3.02Å; K439-I442 PolarHBondContact O-N 3.3Å; L440-I442 PolarHBondContact O-N 3.01Å; I442-Q444 VanDerWaalsContact C-N 3.29Å; I442-Q444 PolarHBondContact O-N 3.43Å; I442-T445 PolarHBondContact O-N 3.26Å; I442-T445 PolarHBondContact O-OG1 3.38Å; I442-V446 WeakPolarHBondContact O-CG2 3.45Å; I442-V446 PolarHBondContact O-N 2.98Å
443R60.8Low60.2Low133 Ų13385.6 Ų85.650%0.50240%0.396SS..Hα-helixtrans-63.8-36.7-179.6-168.7179.6-175.9-164.31.4111.8K439 L440 K447K439-R443 PolarHBondContact O-N 2.93Å; L440-R443 CarbonylContact O-C 3.45Å; L440-R443 PolarHBondContact O-N 2.74Å; L440-R443 VanDerWaalsContact O-N 3.15Å; R443-K447 WeakPolarHBondContact O-CG 3.49Å; R443-K447 PolarHBondContact O-N 3.05Å; R443-K447 VanDerWaalsContact O-N 3.15Å
444Q60.2Low57.9Low120 Ų12089.7 Ų89.756%0.56142%0.42SS*.Hα-helixtrans-70-42.5-179.8-168.6174.111.500111.5L440 L441 I442 V446 K447 M448L440-Q444 WeakPolarHBondContact O-CB 3.47Å; L440-Q444 PolarHBondContact O-N 2.68Å; L441-Q444 PolarHBondContact O-N 3.47Å; I442-Q444 VanDerWaalsContact C-N 3.29Å; I442-Q444 PolarHBondContact O-N 3.43Å; Q444-V446 VanDerWaalsContact C-N 3.35Å; Q444-V446 PolarHBondContact O-N 3.06Å; Q444-K447 PolarHBondContact O-N 2.8Å; Q444-M448 VanDerWaalsContact O-CG 3.29Å; Q444-M448 WeakPolarHBondContact O-CG 3.29Å; Q444-M448 PolarHBondContact O-N 3.14Å
445T57.8Low56.3Low20 Ų2088.3 Ų88.312%0.12343%0.432CS..Hα-helixtrans-66.7-35.9177.4520000113.5Y14 A15 L441 I442 M448 E449Y14-T445 HydrophobicContact CD1-CG2 3.21Å; Y14-T445 HydrophobicContact CE1-CG2 3.86Å; Y14-T445 HydrophobicContact CG-CG2 4.05Å; A15-T445 PolarHBondContact O-OG1 2.9Å; A15-T445 VanDerWaalsContact O-OG1 3.11Å; L441-T445 PolarHBondContact O-N 2.93Å; L441-T445 PolarHBondContact O-OG1 3.14Å; I442-T445 PolarHBondContact O-N 3.26Å; I442-T445 PolarHBondContact O-OG1 3.38Å; T445-M448 PolarHBondContact O-N 3.41Å; T445-E449 PolarHBondContact O-N 3.4Å
446V54.8Low54.4Low29 Ų2997.5 Ų97.518%0.17648%0.483CS..Hα-helixtrans-66.5-39174.4177.40000112V64 I442 Q444 E449 N450V64-V446 HydrophobicContact CB-CG2 3.81Å; V64-V446 HydrophobicContact CG1-CG2 3.44Å; V64-V446 VanDerWaalsContact CG1-CG2 3.44Å; V64-V446 HydrophobicContact CG2-CG2 3.61Å; I442-V446 WeakPolarHBondContact O-CG2 3.45Å; I442-V446 PolarHBondContact O-N 2.98Å; Q444-V446 VanDerWaalsContact C-N 3.35Å; Q444-V446 PolarHBondContact O-N 3.06Å; V446-E449 PolarHBondContact O-N 2.68Å; V446-N450 PolarHBondContact O-N 3.02Å; V446-N450 PolarHBondContact O-ND2 3.16Å
447K50.8Low53.4Low111 Ų11197.2 Ų97.248%0.48349%0.487SS..Hα-helixtrans-64.3-43.5176.7-78.6-178.6176.6-171.80111.7R443 Q444 E449 N450 F451R443-K447 WeakPolarHBondContact O-CG 3.49Å; R443-K447 PolarHBondContact O-N 3.05Å; R443-K447 VanDerWaalsContact O-N 3.15Å; Q444-K447 PolarHBondContact O-N 2.8Å; K447-E449 VanDerWaalsContact C-N 3.26Å; K447-E449 PolarHBondContact O-N 3.27Å; K447-N450 PolarHBondContact O-N 3.27Å; K447-F451 WeakPolarHBondContact O-CD2 3.46Å; K447-F451 PolarHBondContact O-N 3.17Å
448M48.7Very low52.4Low92 Ų9296.8 Ų96.845%0.45349%0.487SS..Hα-helixtrans-59.3-35.7179.3-68.7-76.9-95.800112.3E45 Q444 T445E45-M448 HydrophobicContact CG-CE 3.91Å; Q444-M448 VanDerWaalsContact O-CG 3.29Å; Q444-M448 WeakPolarHBondContact O-CG 3.29Å; Q444-M448 PolarHBondContact O-N 3.14Å; T445-M448 PolarHBondContact O-N 3.41Å
449E46.8Very low51.4Low31 Ų31100.1 Ų100.115%0.14550%0.5CS..Hα-helixtrans-78.7-33.3177.7-69.8-174161.300113.8P17 T445 V446 K447 F451 T452P17-E449 WeakPolarHBondContact CD-OE1 3.46Å; P17-E449 WeakPolarHBondContact CD-OE2 3.43Å; P17-E449 VanDerWaalsContact CG-CD 3.43Å; P17-E449 WeakPolarHBondContact CG-OE1 3.46Å; P17-E449 WeakPolarHBondContact CG-OE2 3.5Å; T445-E449 PolarHBondContact O-N 3.4Å; V446-E449 PolarHBondContact O-N 2.68Å; K447-E449 VanDerWaalsContact C-N 3.26Å; K447-E449 PolarHBondContact O-N 3.27Å; E449-F451 PolarHBondContact O-N 3.1Å; E449-T452 PolarHBondContact O-N 2.9Å; E449-T452 PolarHBondContact O-OG1 3.25Å
450N41.4Very low50.4Low114 Ų114101.1 Ų101.161%0.6151%0.508SS*.Hα-helixtrans-65.8-17.2175-73-30.9000113.1V446 K447 T452V446-N450 PolarHBondContact O-N 3.02Å; V446-N450 PolarHBondContact O-ND2 3.16Å; K447-N450 PolarHBondContact O-N 3.27Å; N450-T452 VanDerWaalsContact C-N 3.34Å
451F38.7Very low49.3Very low184 Ų184102.7 Ų102.781%0.80752%0.515SS*.THydrogen-bonded Turntrans-83-3.8172.5-88.8-80.8000114.1K447 E449 Y453K447-F451 WeakPolarHBondContact O-CD2 3.46Å; K447-F451 PolarHBondContact O-N 3.17Å; E449-F451 PolarHBondContact O-N 3.1Å; F451-Y453 VanDerWaalsContact C-N 3.31Å; F451-Y453 PolarHBondContact O-N 3.4Å
452T42.2Very low48.1Very low95 Ų95107.9 Ų107.958%0.58354%0.54SS*.SBendtrans-89.317.2-179.757.60000115E449 N450E449-T452 PolarHBondContact O-N 2.9Å; E449-T452 PolarHBondContact O-OG1 3.25Å; N450-T452 VanDerWaalsContact C-N 3.34Å
453Y43.6Very low46.8Very low211 Ų211115.6 Ų115.683%0.82758%0.579SS**  trans-144.777.2172-145.9-89.3000112.3F451F451-Y453 VanDerWaalsContact C-N 3.31Å; F451-Y453 PolarHBondContact O-N 3.4Å
454D35.1Very low45.7Very low159 Ų159114.2 Ų114.285%0.8559%0.585SS**SBendtrans-153.1104138.4-115.8-15.6000110.2
455G42.2Very low44.5Very low68 Ų68113.8 Ų113.870%0.70159%0.587SS**  trans61.4109.6153.900000119.1
456I31.5Very low43.3Very low251 Ų251122.3 Ų122.3100%1.28763%0.629SS**  -154.30103.7-88.1151.8000108.7

Retrieved 456 of 456 residues in 73.6 ms (Link to these results)

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