A0A087X5C5_POEFO Loading...

Integrator complex subunit 6 like

AlphaFold DB , UniProt , Accession A0A087X5C5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 888 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
1M78.1Confident91.9Very high154 Ų15416.3 Ų16.376%0.7598%0.083SC*.  0113.80-75.5170.4175.600106.4G47M1-G47 VanDerWaalsContact CB-O 3.25Å; M1-G47 WeakPolarHBondContact CB-O 3.27Å; M1-G47 VanDerWaalsContact CG-O 3.23Å; M1-G47 WeakPolarHBondContact CG-O 3.38Å
2P85.9Confident91.8Very high15 Ų1519.8 Ų19.810%0.09712%0.116CC..  trans-77.7152.8176.533.2-33.3000111.4D48 R49 P122 V227P2-D48 WeakPolarHBondContact CD-OD1 3.39Å; P2-D48 WeakPolarHBondContact CG-OD1 3.32Å; P2-D48 WeakPolarHBondContact O-CA 3.43Å; P2-R49 PolarHBondContact O-N 3.13Å; P2-P122 CarbonylContact C-O 3.59Å; P2-P122 WeakPolarHBondContact CA-O 3.38Å; P2-P122 HydrophobicContact CB-CG 4.31Å; P2-V227 HydrophobicContact CB-CG1 4.26Å; P2-V227 HydrophobicContact CG-CG1 4.43Å
3I92.3Very high91.8Very high4 Ų421.5 Ų21.52%0.02113%0.13CC..EExtended strand (participates in β ladder)trans-115127179.4-57.2175.4000107.6V5 M51 W66 L99 E121 P122 S123 V124I3-V5 HydrophobicContact CG2-CG2 4.31Å; I3-M51 HydrophobicContact CG2-CE 3.68Å; I3-M51 HydrophobicContact CG2-SD 4.07Å; I3-W66 HydrophobicContact CD1-CH2 3.4Å; I3-W66 VanDerWaalsContact CD1-CH2 3.4Å; I3-W66 HydrophobicContact CD1-CZ3 3.48Å; I3-W66 VanDerWaalsContact CD1-CZ3 3.48Å; I3-L99 HydrophobicContact CG2-CD2 3.96Å; I3-E121 HydrophobicContact CD1-CG 3.58Å; I3-E121 WeakPolarHBondContact CD1-OE1 3.33Å; I3-P122 PolarHBondContact N-O 3.06Å; I3-S123 CarbonylContact O-C 3.51Å; I3-S123 VanDerWaalsContact O-CA 3.29Å; I3-S123 WeakPolarHBondContact O-CA 3.4Å; I3-V124 PolarHBondContact O-N 3.17Å
4L94.4Very high91.8Very high0 Ų020 Ų200%012%0.121CC..EExtended strand (participates in β ladder)trans-114.3115-179.4-63.294.7000108.6F35 D48 R49 Y50 M51 V124 I126 V227L4-F35 HydrophobicContact CD2-CE1 3.47Å; L4-F35 VanDerWaalsContact CD2-CE1 3.47Å; L4-F35 HydrophobicContact CD2-CZ 3.68Å; L4-D48 HydrophobicContact CD1-CB 3.89Å; L4-R49 PolarHBondContact N-O 2.53Å; L4-Y50 HydrophobicContact CB-CD1 3.97Å; L4-Y50 HydrophobicContact CB-CE1 4.3Å; L4-Y50 HydrophobicContact CD1-CD1 4.42Å; L4-Y50 HydrophobicContact CD1-CE1 4.11Å; L4-Y50 HydrophobicContact CD2-CE1 4.31Å; L4-Y50 HydrophobicContact CG-CE1 4.5Å; L4-Y50 CarbonylContact O-C 3.55Å; L4-Y50 WeakPolarHBondContact O-CA 3.48Å; L4-M51 PolarHBondContact O-N 2.88Å; L4-V124 WeakPolarHBondContact CA-O 3.49Å; L4-I126 HydrophobicContact CD2-CD1 4.44Å; L4-V227 HydrophobicContact CD2-CG1 4.25Å; L4-V227 HydrophobicContact CD2-CG2 4.25Å; L4-V227 HydrophobicContact CG-CG1 4.5Å
5V95.8Very high91.9Very high0 Ų024 Ų240%014%0.141CC..EExtended strand (participates in β ladder)trans-103.8112.1177.3-172.40000107.7I3 L7 M51 V53 A95 L99 V124 I125 I126I3-V5 HydrophobicContact CG2-CG2 4.31Å; V5-L7 PolarHBondContact O-N 3.26Å; V5-M51 HydrophobicContact CG1-CB 4.3Å; V5-M51 HydrophobicContact CG2-CB 4.23Å; V5-M51 HydrophobicContact CG2-SD 4.26Å; V5-V53 HydrophobicContact CG1-CB 4.45Å; V5-V53 HydrophobicContact CG1-CG2 3.75Å; V5-A95 HydrophobicContact CG1-CB 4.32Å; V5-L99 HydrophobicContact CG2-CD1 4.06Å; V5-L99 HydrophobicContact CG2-CD2 3.86Å; V5-L99 HydrophobicContact CG2-CG 4.17Å; V5-V124 PolarHBondContact N-O 3.45Å; V5-I125 HydrophobicContact CB-CG1 4.29Å; V5-I125 CarbonylContact O-C 3.53Å; V5-I125 WeakPolarHBondContact O-CA 3.36Å; V5-I126 PolarHBondContact O-N 3.04Å
6F96.6Very high91.8Very high1 Ų126.9 Ų26.90%0.00415%0.153CC..EExtended strand (participates in β ladder)trans-83.6114.2169.4-67.6-78000108.5V32 F35 Y50 M51 L52 V53 F73 I126F6-V32 HydrophobicContact CD1-CB 4.5Å; F6-V32 HydrophobicContact CD1-CG1 4.19Å; F6-V32 HydrophobicContact CD1-CG2 3.65Å; F6-V32 HydrophobicContact CD2-CG1 4.11Å; F6-V32 HydrophobicContact CE1-CB 4.43Å; F6-V32 HydrophobicContact CE1-CG1 4.09Å; F6-V32 HydrophobicContact CE1-CG2 3.94Å; F6-V32 HydrophobicContact CE2-CG1 3.99Å; F6-V32 HydrophobicContact CG-CG1 4.19Å; F6-V32 HydrophobicContact CG-CG2 4.14Å; F6-V32 HydrophobicContact CZ-CG1 3.98Å; F6-F35 HydrophobicContact CE1-CD1 4.26Å; F6-F35 HydrophobicContact CE1-CG 4.44Å; F6-F35 AromaticContact CZ-CD1 3.66Å; F6-F35 HydrophobicContact CZ-CD1 3.66Å; F6-F35 HydrophobicContact CZ-CE1 4.15Å; F6-F35 HydrophobicContact CZ-CG 4.25Å; F6-Y50 AromaticContact CE2-CD1 3.83Å; F6-Y50 HydrophobicContact CE2-CD1 3.83Å; F6-Y50 HydrophobicContact CE2-CE1 4.46Å; F6-M51 PolarHBondContact N-O 3.09Å; F6-L52 HydrophobicContact CB-CD1 4.25Å; F6-V53 PolarHBondContact O-N 3.03Å; F6-F73 AromaticContact CD2-CE2 3.9Å; F6-F73 HydrophobicContact CD2-CE2 3.9Å; F6-F73 AromaticContact CD2-CZ 3.55Å; F6-F73 HydrophobicContact CD2-CZ 3.55Å; F6-F73 HydrophobicContact CE2-CZ 4.02Å; F6-F73 HydrophobicContact CG-CZ 4.39Å; F6-I126 HydrophobicContact CD1-CB 3.95Å; F6-I126 HydrophobicContact CD1-CD1 4.25Å; F6-I126 HydrophobicContact CD1-CG2 4.22Å; F6-I126 HydrophobicContact CE1-CB 4.16Å; F6-I126 HydrophobicContact CE1-CD1 3.62Å; F6-I126 HydrophobicContact CE1-CG1 4.45Å; F6-I126 HydrophobicContact CE1-CG2 4.3Å; F6-I126 HydrophobicContact CZ-CD1 4.14Å
7L95.8Very high91.8Very high0 Ų035.7 Ų35.70%018%0.183CC..EExtended strand (participates in β ladder)trans-97.1100.4171.5-168.381000107.1V5 V53 F55 L88 A91 L92 A95 I125 I126 T127 I128V5-L7 PolarHBondContact O-N 3.26Å; L7-V53 WeakPolarHBondContact CA-O 3.43Å; L7-V53 HydrophobicContact CD1-CB 3.7Å; L7-V53 HydrophobicContact CD1-CG1 3.53Å; L7-F55 HydrophobicContact CD2-CE1 3.95Å; L7-F55 HydrophobicContact CG-CE1 4.01Å; L7-L88 HydrophobicContact CD2-CD1 4.05Å; L7-A91 HydrophobicContact CD1-CB 3.89Å; L7-A91 HydrophobicContact CD2-CB 4.34Å; L7-A91 HydrophobicContact CG-CB 4.47Å; L7-L92 HydrophobicContact CD2-CD2 3.69Å; L7-L92 HydrophobicContact CD2-CG 3.84Å; L7-A95 HydrophobicContact CD1-CB 4.2Å; L7-I125 HydrophobicContact CB-CG2 4.13Å; L7-I126 PolarHBondContact N-O 3.23Å; L7-T127 HydrophobicContact CD2-CG2 3.91Å; L7-T127 WeakPolarHBondContact CD2-OG1 3.36Å; L7-T127 CarbonylContact O-C 3.56Å; L7-T127 VanDerWaalsContact O-CA 3.29Å; L7-T127 WeakPolarHBondContact O-CA 3.23Å; L7-I128 PolarHBondContact O-N 3.42Å
8L95.1Very high91.7Very high1 Ų134.1 Ų34.11%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-100125.8-178.8-62.6-171.8000110.4T10 V32 L52 V53 L77 L80 I128L8-T10 PolarHBondContact O-N 3.37Å; L8-V32 HydrophobicContact CD1-CG2 4.28Å; L8-V32 HydrophobicContact CD2-CG2 4.05Å; L8-L52 HydrophobicContact CD1-CD1 3.89Å; L8-L52 HydrophobicContact CG-CD1 4Å; L8-V53 PolarHBondContact N-O 3.47Å; L8-L77 HydrophobicContact CD1-CD1 3.4Å; L8-L77 VanDerWaalsContact CD1-CD1 3.4Å; L8-L80 HydrophobicContact CB-CD1 4.26Å; L8-L80 HydrophobicContact CD1-CD1 3.7Å; L8-I128 HydrophobicContact CD2-CB 3.75Å; L8-I128 HydrophobicContact CD2-CD1 3.65Å; L8-I128 HydrophobicContact CD2-CG1 3.64Å
9D93.3Very high91.6Very high0 Ų036.7 Ų36.70%018%0.183CC..  trans-64.5116.4170.1-165.7-25.8000109.8S11 M14 F55 I128 T129D9-S11 WeakPolarHBondContact OD1-CB 3.46Å; D9-S11 PolarHBondContact OD1-N 3.28Å; D9-S11 PolarHBondContact OD1-OG 3.45Å; D9-M14 HydrophobicContact CB-CE 4.29Å; D9-M14 HydrophobicContact CB-CG 3.96Å; D9-M14 HydrophobicContact CB-SD 4.19Å; D9-F55 HydrophobicContact CB-CD2 4.34Å; D9-F55 HydrophobicContact CB-CE1 4.3Å; D9-F55 HydrophobicContact CB-CE2 3.8Å; D9-F55 HydrophobicContact CB-CZ 3.76Å; D9-F55 WeakPolarHBondContact OD1-CD2 3.27Å; D9-F55 WeakPolarHBondContact OD1-CE2 3.35Å; D9-F55 WeakPolarHBondContact OD2-CE2 3.3Å; D9-I128 WeakPolarHBondContact CB-O 3.32Å; D9-I128 PolarHBondContact N-O 3.13Å; D9-T129 WeakPolarHBondContact OD2-CB 3.16Å; D9-T129 PolarHBondContact OD2-OG1 3.14Å
10T91.8Very high91.4Very high2 Ų239.2 Ų39.21%0.01220%0.197CC..  trans-109.821176.750.80000111.6L8 T54 F55 L80 Q81 A82 S83 G84L8-T10 PolarHBondContact O-N 3.37Å; T10-T54 HydrophobicContact CG2-CG2 3.69Å; T10-F55 PolarHBondContact OG1-N 2.97Å; T10-L80 HydrophobicContact CG2-CD1 4.37Å; T10-L80 HydrophobicContact CG2-CD2 4.47Å; T10-Q81 WeakPolarHBondContact CB-O 3.4Å; T10-A82 CarbonylContact O-C 3.36Å; T10-A82 WeakPolarHBondContact O-CA 3.43Å; T10-S83 PolarHBondContact O-N 2.91Å; T10-G84 PolarHBondContact O-N 3.43Å
11S91.7Very high91.3Very high2 Ų239.2 Ų39.21%0.01421%0.207CC..BIsolated β-bridgetrans-69.8162.5175.867.70000113.1D9 S13 M14 A82 G84 T86D9-S11 WeakPolarHBondContact OD1-CB 3.46Å; D9-S11 PolarHBondContact OD1-N 3.28Å; D9-S11 PolarHBondContact OD1-OG 3.45Å; S11-S13 VanDerWaalsContact C-N 3.25Å; S11-S13 PolarHBondContact O-N 2.9Å; S11-S13 PolarHBondContact OG-OG 3.01Å; S11-M14 PolarHBondContact O-N 3.34Å; S11-A82 VanDerWaalsContact O-CB 3.3Å; S11-A82 WeakPolarHBondContact O-CB 3.39Å; S11-G84 CarbonylContact C-O 3.48Å; S11-G84 VanDerWaalsContact CA-O 3.24Å; S11-G84 WeakPolarHBondContact CA-O 3.45Å; S11-T86 WeakPolarHBondContact OG-CG2 3.35Å
12A91.1Very high92Very high58 Ų5834.5 Ų34.548%0.47919%0.187SC..G310 helixtrans-62.9-26179.200000114M14 N15 G84A12-M14 VanDerWaalsContact C-N 3.27Å; A12-M14 PolarHBondContact O-N 3.18Å; A12-N15 WeakPolarHBondContact O-CB 3.34Å; A12-N15 PolarHBondContact O-N 3.36Å; A12-N15 PolarHBondContact O-ND2 3.37Å; A12-G84 PolarHBondContact N-O 2.92Å
13S91.1Very high92.3Very high43 Ų4334.8 Ų34.830%0.30119%0.188SC..G310 helixtrans-70.2-23.4-179.861.90000112.9S11 N15 Q16 D130S11-S13 VanDerWaalsContact C-N 3.25Å; S11-S13 PolarHBondContact O-N 2.9Å; S11-S13 PolarHBondContact OG-OG 3.01Å; S13-N15 PolarHBondContact O-N 3.48Å; S13-N15 VanDerWaalsContact O-N 3.09Å; S13-Q16 VanDerWaalsContact O-CG 3.29Å; S13-Q16 WeakPolarHBondContact O-CG 3.29Å; S13-Q16 PolarHBondContact O-N 3.08Å; S13-Q16 VanDerWaalsContact O-N 3.16Å; S13-Q16 PolarHBondContact O-NE2 3.04Å; S13-D130 WeakPolarHBondContact CB-OD2 3.48Å; S13-D130 PolarHBondContact OG-OD2 3.43Å
14M92.5Very high92.4Very high0 Ų035.3 Ų35.30%019%0.19CC..G310 helixtrans-67.2-5.8174.5-67.2-71.9-75.100114D9 S11 A12 Q16 Y24 L25 A28 A82 D130 L173D9-M14 HydrophobicContact CB-CE 4.29Å; D9-M14 HydrophobicContact CB-CG 3.96Å; D9-M14 HydrophobicContact CB-SD 4.19Å; S11-M14 PolarHBondContact O-N 3.34Å; A12-M14 VanDerWaalsContact C-N 3.27Å; A12-M14 PolarHBondContact O-N 3.18Å; M14-Q16 VanDerWaalsContact C-N 3.3Å; M14-Y24 PolarHBondContact O-N 3.47Å; M14-Y24 HydrophobicContact SD-CD2 4.32Å; M14-L25 HydrophobicContact CB-CB 4.27Å; M14-L25 PolarHBondContact O-N 3.02Å; M14-L25 VanDerWaalsContact O-N 3.16Å; M14-A28 HydrophobicContact CE-CB 4.17Å; M14-A82 HydrophobicContact CB-CB 4.17Å; M14-D130 HydrophobicContact SD-CB 4.01Å; M14-L173 HydrophobicContact CE-CD1 4.33Å
15N93.3Very high92.5Very high80 Ų8035.6 Ų35.643%0.42819%0.192SC..G310 helixtrans-78.2-8.1171.3-68.3-63.8000114.1A12 S13 A82A12-N15 WeakPolarHBondContact O-CB 3.34Å; A12-N15 PolarHBondContact O-N 3.36Å; A12-N15 PolarHBondContact O-ND2 3.37Å; S13-N15 PolarHBondContact O-N 3.48Å; S13-N15 VanDerWaalsContact O-N 3.09Å; N15-A82 WeakPolarHBondContact ND2-CB 3.39Å; N15-A82 PolarHBondContact ND2-O 3.36Å; N15-A82 WeakPolarHBondContact OD1-CB 3.47Å
16Q90.8Very high92.4Very high70 Ų7039.1 Ų39.133%0.32721%0.211SC..PPolyproline II helixtrans-59.9139.9176.668.4-165.5-53.300111.5S13 M14 T23 Y24 D130S13-Q16 VanDerWaalsContact O-CG 3.29Å; S13-Q16 WeakPolarHBondContact O-CG 3.29Å; S13-Q16 PolarHBondContact O-N 3.08Å; S13-Q16 VanDerWaalsContact O-N 3.16Å; S13-Q16 PolarHBondContact O-NE2 3.04Å; M14-Q16 VanDerWaalsContact C-N 3.3Å; Q16-T23 WeakPolarHBondContact O-CA 3.49Å; Q16-Y24 VanDerWaalsContact CD-CE2 3.45Å; Q16-Y24 HydrophobicContact CG-CD1 3.67Å; Q16-Y24 HydrophobicContact CG-CD2 3.78Å; Q16-Y24 HydrophobicContact CG-CE1 3.73Å; Q16-Y24 HydrophobicContact CG-CE2 3.83Å; Q16-Y24 HydrophobicContact CG-CG 3.71Å; Q16-Y24 VanDerWaalsContact NE2-CE2 3.31Å; Q16-Y24 PolarHBondContact O-N 2.96Å; Q16-Y24 VanDerWaalsContact O-N 3.11Å; Q16-D130 PolarHBondContact NE2-OD2 2.98Å
17R91.4Very high92.3Very high177 Ų17739.7 Ų39.767%0.66821%0.214SC*.BIsolated β-bridgetrans-90.6138.1-177-69-174.1-175-100.44.1111.7G21 T22R17-G21 PolarHBondContact NH1-O 2.98Å; R17-T22 WeakPolarHBondContact CA-O 3.34Å
18T90.4Very high92.2Very high6 Ų639.7 Ų39.74%0.03721%0.214CC..PPolyproline II helixtrans-81.4168.7170.864.10000111.4L20 G21 T22 Y24 V27 L175T18-L20 PolarHBondContact O-N 3.14Å; T18-L20 WeakPolarHBondContact OG1-CB 3.2Å; T18-L20 PolarHBondContact OG1-N 2.81Å; T18-G21 PolarHBondContact O-N 2.81Å; T18-T22 PolarHBondContact N-O 3.34Å; T18-T22 PolarHBondContact OG1-O 2.95Å; T18-T22 VanDerWaalsContact OG1-O 3.06Å; T18-T22 PolarHBondContact OG1-OG1 3.28Å; T18-Y24 HydrophobicContact CG2-CD1 3.61Å; T18-Y24 HydrophobicContact CG2-CE1 3.69Å; T18-V27 HydrophobicContact CG2-CG2 4.12Å; T18-L175 HydrophobicContact CG2-CB 3.83Å; T18-L175 HydrophobicContact CG2-CD1 3.83Å; T18-L175 HydrophobicContact CG2-CG 4.46Å
19Y88.9Confident92.2Very high84 Ų8441.2 Ų41.233%0.32922%0.221SC..THydrogen-bonded Turntrans-55.2-15.8165.673.1-87.6000114.5G21 L175 P176 G177Y19-G21 VanDerWaalsContact C-N 3.32Å; Y19-L175 HydrophobicContact CE1-CD2 4.22Å; Y19-P176 HydrophobicContact CD1-CG 4.37Å; Y19-P176 WeakPolarHBondContact CD1-O 3.33Å; Y19-P176 PolarHBondContact N-O 2.68Å; Y19-G177 WeakPolarHBondContact CA-O 3.48Å
20L87.5Confident92.3Very high87 Ų8742.6 Ų42.646%0.45524%0.235SC..THydrogen-bonded Turntrans-85.3-1.6174.8-57.5170.6000113T18 T22T18-L20 PolarHBondContact O-N 3.14Å; T18-L20 WeakPolarHBondContact OG1-CB 3.2Å; T18-L20 PolarHBondContact OG1-N 2.81Å; L20-T22 PolarHBondContact O-N 3.45Å
21G88.8Confident92.5Very high40 Ų4042.6 Ų42.641%0.41224%0.235SC..SBendtrans79.5-13.9-176.700000115.1R17 T18 Y19R17-G21 PolarHBondContact NH1-O 2.98Å; T18-G21 PolarHBondContact O-N 2.81Å; Y19-G21 VanDerWaalsContact C-N 3.32Å
22T92.8Very high92.7Very high55 Ų5542.5 Ų42.534%0.33723%0.234SC..SBendtrans-82.8156.6176.354.10000112.5R17 T18 L20R17-T22 WeakPolarHBondContact CA-O 3.34Å; T18-T22 PolarHBondContact N-O 3.34Å; T18-T22 PolarHBondContact OG1-O 2.95Å; T18-T22 VanDerWaalsContact OG1-O 3.06Å; T18-T22 PolarHBondContact OG1-OG1 3.28Å; L20-T22 PolarHBondContact O-N 3.45Å
23T94.1Very high92.8Very high20 Ų2042.3 Ų42.312%0.12322%0.224CC..BIsolated β-bridgetrans-77.8161.6174.870.30000111.9Q16 L25 D26 V27Q16-T23 WeakPolarHBondContact O-CA 3.49Å; T23-L25 PolarHBondContact O-N 2.77Å; T23-L25 PolarHBondContact OG1-N 3.44Å; T23-D26 WeakPolarHBondContact CB-OD2 3.46Å; T23-D26 PolarHBondContact N-OD2 3.27Å; T23-D26 VanDerWaalsContact N-OD2 3.13Å; T23-D26 PolarHBondContact O-N 3.08Å; T23-D26 VanDerWaalsContact O-N 3.15Å; T23-D26 PolarHBondContact OG1-N 3.16Å; T23-D26 VanDerWaalsContact OG1-N 3.15Å; T23-D26 PolarHBondContact OG1-OD2 2.91Å; T23-V27 PolarHBondContact O-N 3.33Å; T23-V27 VanDerWaalsContact O-N 3.08Å
24Y94.2Very high93Very high16 Ų1642.6 Ų42.66%0.06322%0.221CC..Hα-helixtrans-59.5-35.5172.3-81.124.6000112M14 Q16 T18 V27 A28 D130 L173 L175M14-Y24 PolarHBondContact O-N 3.47Å; M14-Y24 HydrophobicContact SD-CD2 4.32Å; Q16-Y24 VanDerWaalsContact CD-CE2 3.45Å; Q16-Y24 HydrophobicContact CG-CD1 3.67Å; Q16-Y24 HydrophobicContact CG-CD2 3.78Å; Q16-Y24 HydrophobicContact CG-CE1 3.73Å; Q16-Y24 HydrophobicContact CG-CE2 3.83Å; Q16-Y24 HydrophobicContact CG-CG 3.71Å; Q16-Y24 VanDerWaalsContact NE2-CE2 3.31Å; Q16-Y24 PolarHBondContact O-N 2.96Å; Q16-Y24 VanDerWaalsContact O-N 3.11Å; T18-Y24 HydrophobicContact CG2-CD1 3.61Å; T18-Y24 HydrophobicContact CG2-CE1 3.69Å; Y24-V27 PolarHBondContact O-N 3.15Å; Y24-A28 WeakPolarHBondContact O-CB 3.4Å; Y24-A28 PolarHBondContact O-N 2.98Å; Y24-D130 HydrophobicContact CD2-CB 3.8Å; Y24-D130 HydrophobicContact CE2-CB 3.94Å; Y24-L173 HydrophobicContact CD2-CB 3.84Å; Y24-L173 HydrophobicContact CE2-CB 4.02Å; Y24-L173 WeakPolarHBondContact CE2-O 3.39Å; Y24-L173 HydrophobicContact CG-CB 4.38Å; Y24-L173 HydrophobicContact CG-CD1 4.44Å; Y24-L175 HydrophobicContact CE1-CB 4.04Å; Y24-L175 PolarHBondContact OH-N 2.69Å; Y24-L175 PolarHBondContact OH-O 2.66Å
25L94.9Very high93.1Very high6 Ų642.6 Ų42.63%0.03122%0.221CC..Hα-helixtrans-63.7-39.6174.6-179.761.8000112.1M14 T23 A28 K29 A82M14-L25 HydrophobicContact CB-CB 4.27Å; M14-L25 PolarHBondContact O-N 3.02Å; M14-L25 VanDerWaalsContact O-N 3.16Å; T23-L25 PolarHBondContact O-N 2.77Å; T23-L25 PolarHBondContact OG1-N 3.44Å; L25-A28 PolarHBondContact O-N 3.07Å; L25-K29 WeakPolarHBondContact O-CG 3.31Å; L25-K29 PolarHBondContact O-N 3.19Å; L25-A82 HydrophobicContact CB-CB 4.46Å; L25-A82 HydrophobicContact CD2-CB 3.79Å
26D94.1Very high93.1Very high74 Ų7439.5 Ų39.540%0.39620%0.204SC..Hα-helixtrans-66.7-39.8176.9-58.9-47.3000111.5T23 K29 G30T23-D26 WeakPolarHBondContact CB-OD2 3.46Å; T23-D26 PolarHBondContact N-OD2 3.27Å; T23-D26 VanDerWaalsContact N-OD2 3.13Å; T23-D26 PolarHBondContact O-N 3.08Å; T23-D26 VanDerWaalsContact O-N 3.15Å; T23-D26 PolarHBondContact OG1-N 3.16Å; T23-D26 VanDerWaalsContact OG1-N 3.15Å; T23-D26 PolarHBondContact OG1-OD2 2.91Å; D26-K29 PolarHBondContact O-N 2.88Å; D26-G30 PolarHBondContact O-N 2.96Å
27V94.5Very high93.2Very high12 Ų1242.1 Ų42.17%0.07322%0.215CC..Hα-helixtrans-64.1-40.6173177.20000111.1T18 T23 Y24 G30 A31 L173 L175 L216T18-V27 HydrophobicContact CG2-CG2 4.12Å; T23-V27 PolarHBondContact O-N 3.33Å; T23-V27 VanDerWaalsContact O-N 3.08Å; Y24-V27 PolarHBondContact O-N 3.15Å; V27-G30 PolarHBondContact O-N 3.28Å; V27-A31 WeakPolarHBondContact O-CB 3.45Å; V27-A31 PolarHBondContact O-N 2.62Å; V27-L173 HydrophobicContact CG1-CD1 4.5Å; V27-L175 HydrophobicContact CB-CD1 4.41Å; V27-L175 HydrophobicContact CG1-CD1 3.83Å; V27-L175 HydrophobicContact CG2-CD1 4.3Å; V27-L216 HydrophobicContact CG1-CD2 3.78Å
28A95.1Very high93.2Very high1 Ų134.8 Ų34.81%0.00819%0.189CC..Hα-helixtrans-62.2-45.2175.100000112.2M14 Y24 L25 G30 A31 V32 I128 L173M14-A28 HydrophobicContact CE-CB 4.17Å; Y24-A28 WeakPolarHBondContact O-CB 3.4Å; Y24-A28 PolarHBondContact O-N 2.98Å; L25-A28 PolarHBondContact O-N 3.07Å; A28-G30 PolarHBondContact O-N 2.74Å; A28-A31 WeakPolarHBondContact O-CB 3.42Å; A28-A31 PolarHBondContact O-N 3Å; A28-V32 WeakPolarHBondContact O-CG2 3.31Å; A28-V32 PolarHBondContact O-N 2.99Å; A28-I128 HydrophobicContact CB-CB 4.29Å; A28-I128 HydrophobicContact CB-CD1 4.35Å; A28-I128 HydrophobicContact CB-CG2 3.7Å; A28-L173 HydrophobicContact CB-CD1 4.33Å
29K95Very high93.3Very high32 Ų3234.9 Ų34.914%0.13919%0.188CC..Hα-helixtrans-57.6-47.9172.9-71172.1-177-179.80111L25 D26 A31 V32 E33 L77 K78 L80L25-K29 WeakPolarHBondContact O-CG 3.31Å; L25-K29 PolarHBondContact O-N 3.19Å; D26-K29 PolarHBondContact O-N 2.88Å; K29-A31 VanDerWaalsContact C-N 3.35Å; K29-A31 PolarHBondContact O-N 3.35Å; K29-V32 PolarHBondContact O-N 2.93Å; K29-E33 PolarHBondContact O-N 3.05Å; K29-L77 WeakPolarHBondContact CE-O 3.24Å; K29-L77 HydrophobicContact CG-CD1 4.22Å; K29-L77 HydrophobicContact CG-CG 4.46Å; K29-K78 PolarHBondContact NZ-O 2.92Å; K29-L80 PolarHBondContact NZ-O 3.31Å
30G94.8Very high93.4Very high29 Ų2934.1 Ų34.130%0.29920%0.199SC..Hα-helixtrans-60.4-40.1176.200000113.3D26 V27 A28 E33 I34D26-G30 PolarHBondContact O-N 2.96Å; V27-G30 PolarHBondContact O-N 3.28Å; A28-G30 PolarHBondContact O-N 2.74Å; G30-E33 PolarHBondContact O-N 2.78Å; G30-I34 VanDerWaalsContact O-CG1 3.28Å; G30-I34 WeakPolarHBondContact O-CG1 3.39Å; G30-I34 PolarHBondContact O-N 3.16Å
31A95.1Very high93.5Very high2 Ų239 Ų392%0.01721%0.212CC..Hα-helixtrans-62-42.517600000112V27 A28 K29 I34 F35 I128 L216 L220V27-A31 WeakPolarHBondContact O-CB 3.45Å; V27-A31 PolarHBondContact O-N 2.62Å; A28-A31 WeakPolarHBondContact O-CB 3.42Å; A28-A31 PolarHBondContact O-N 3Å; K29-A31 VanDerWaalsContact C-N 3.35Å; K29-A31 PolarHBondContact O-N 3.35Å; A31-I34 PolarHBondContact O-N 3.05Å; A31-F35 WeakPolarHBondContact O-CB 3.03Å; A31-F35 PolarHBondContact O-N 3.15Å; A31-I128 HydrophobicContact CB-CD1 4.25Å; A31-L216 HydrophobicContact CB-CD1 4.14Å; A31-L216 HydrophobicContact CB-CD2 4.15Å; A31-L220 HydrophobicContact CB-CD1 4.16Å; A31-L220 WeakPolarHBondContact O-CD1 3.31Å
32V95.5Very high93.4Very high0 Ų040.1 Ų40.10%021%0.208CC..Hα-helixtrans-63.6-44174.7175.50000111F6 L8 A28 K29 I34 F35 M36 F73 L77 I128F6-V32 HydrophobicContact CD1-CB 4.5Å; F6-V32 HydrophobicContact CD1-CG1 4.19Å; F6-V32 HydrophobicContact CD1-CG2 3.65Å; F6-V32 HydrophobicContact CD2-CG1 4.11Å; F6-V32 HydrophobicContact CE1-CB 4.43Å; F6-V32 HydrophobicContact CE1-CG1 4.09Å; F6-V32 HydrophobicContact CE1-CG2 3.94Å; F6-V32 HydrophobicContact CE2-CG1 3.99Å; F6-V32 HydrophobicContact CG-CG1 4.19Å; F6-V32 HydrophobicContact CG-CG2 4.14Å; F6-V32 HydrophobicContact CZ-CG1 3.98Å; L8-V32 HydrophobicContact CD1-CG2 4.28Å; L8-V32 HydrophobicContact CD2-CG2 4.05Å; A28-V32 WeakPolarHBondContact O-CG2 3.31Å; A28-V32 PolarHBondContact O-N 2.99Å; K29-V32 PolarHBondContact O-N 2.93Å; V32-I34 PolarHBondContact O-N 3.23Å; V32-F35 PolarHBondContact O-N 2.83Å; V32-M36 HydrophobicContact CG1-SD 4.38Å; V32-M36 WeakPolarHBondContact O-CG 3.43Å; V32-M36 PolarHBondContact O-N 3.43Å; V32-F73 HydrophobicContact CG1-CE1 4.08Å; V32-F73 HydrophobicContact CG1-CZ 3.96Å; V32-L77 HydrophobicContact CB-CD1 4.46Å; V32-L77 HydrophobicContact CB-CD2 4.1Å; V32-L77 HydrophobicContact CG1-CD1 4.39Å; V32-L77 HydrophobicContact CG1-CD2 3.68Å; V32-I128 HydrophobicContact CG2-CD1 3.98Å
33E94.1Very high92.9Very high54 Ų5442.4 Ų42.425%0.25222%0.224SC..Hα-helixtrans-61.6-43.5175.7-67.8-153.8172.800112.8K29 G30 M36 K37 M74K29-E33 PolarHBondContact O-N 3.05Å; G30-E33 PolarHBondContact O-N 2.78Å; E33-M36 PolarHBondContact O-N 2.86Å; E33-K37 WeakPolarHBondContact O-CB 3.42Å; E33-K37 WeakPolarHBondContact O-CD 3.16Å; E33-K37 VanDerWaalsContact O-CG 3.26Å; E33-K37 WeakPolarHBondContact O-CG 3.43Å; E33-K37 PolarHBondContact O-N 2.99Å; E33-K37 IonicContact OE2-NZ 3.66Å; E33-K37 PolarHBondContact OE2-NZ 3.27Å; E33-M74 HydrophobicContact CG-CE 4.03Å
34I94.6Very high92.3Very high49 Ų4944.4 Ų44.425%0.25124%0.242SC..Hα-helixtrans-64.2-44.8177.4-69.2165.2000109.9G30 A31 V32 M36 K37 L38 L220G30-I34 VanDerWaalsContact O-CG1 3.28Å; G30-I34 WeakPolarHBondContact O-CG1 3.39Å; G30-I34 PolarHBondContact O-N 3.16Å; A31-I34 PolarHBondContact O-N 3.05Å; V32-I34 PolarHBondContact O-N 3.23Å; I34-M36 VanDerWaalsContact C-N 3.35Å; I34-M36 PolarHBondContact O-N 3Å; I34-K37 PolarHBondContact O-N 2.95Å; I34-L38 HydrophobicContact CG2-CD1 3.96Å; I34-L38 HydrophobicContact CG2-CG 4.28Å; I34-L38 WeakPolarHBondContact O-CG 3.44Å; I34-L38 PolarHBondContact O-N 2.72Å; I34-L220 HydrophobicContact CB-CD1 3.98Å; I34-L220 HydrophobicContact CG2-CD1 3.75Å
35F95.2Very high91.7Very high1 Ų144.5 Ų44.50%0.00425%0.245CC..Hα-helixtrans-57.2-47.3175.9-177.1-81.6000111.6L4 F6 A31 V32 K37 L38 R39 I126 L220 L223 V224 V227L4-F35 HydrophobicContact CD2-CE1 3.47Å; L4-F35 VanDerWaalsContact CD2-CE1 3.47Å; L4-F35 HydrophobicContact CD2-CZ 3.68Å; F6-F35 HydrophobicContact CE1-CD1 4.26Å; F6-F35 HydrophobicContact CE1-CG 4.44Å; F6-F35 AromaticContact CZ-CD1 3.66Å; F6-F35 HydrophobicContact CZ-CD1 3.66Å; F6-F35 HydrophobicContact CZ-CE1 4.15Å; F6-F35 HydrophobicContact CZ-CG 4.25Å; A31-F35 WeakPolarHBondContact O-CB 3.03Å; A31-F35 PolarHBondContact O-N 3.15Å; V32-F35 PolarHBondContact O-N 2.83Å; F35-K37 VanDerWaalsContact C-N 3.34Å; F35-K37 PolarHBondContact O-N 3.37Å; F35-L38 PolarHBondContact O-N 2.94Å; F35-R39 HydrophobicContact CD1-CB 4.45Å; F35-R39 HydrophobicContact CE1-CB 4.11Å; F35-R39 HydrophobicContact CE1-CG 4.41Å; F35-R39 VanDerWaalsContact O-CB 3.31Å; F35-R39 WeakPolarHBondContact O-CB 3.41Å; F35-R39 PolarHBondContact O-N 3.48Å; F35-I126 HydrophobicContact CD2-CD1 4.38Å; F35-I126 HydrophobicContact CE1-CD1 4.26Å; F35-I126 HydrophobicContact CE2-CD1 3.94Å; F35-I126 HydrophobicContact CZ-CD1 3.88Å; F35-L220 HydrophobicContact CB-CD2 4.24Å; F35-L220 HydrophobicContact CD2-CD2 4.17Å; F35-L223 HydrophobicContact CD2-CD2 4.08Å; F35-L223 HydrophobicContact CD2-CG 4.47Å; F35-L223 HydrophobicContact CE2-CB 4.17Å; F35-L223 HydrophobicContact CE2-CD2 3.83Å; F35-L223 HydrophobicContact CE2-CG 3.8Å; F35-V224 HydrophobicContact CD2-CG2 3.77Å; F35-V224 HydrophobicContact CE1-CG2 4.44Å; F35-V224 HydrophobicContact CE2-CB 4.43Å; F35-V224 HydrophobicContact CE2-CG2 3.43Å; F35-V224 VanDerWaalsContact CE2-CG2 3.43Å; F35-V224 HydrophobicContact CG-CG2 4.43Å; F35-V224 HydrophobicContact CZ-CG2 3.81Å; F35-V227 HydrophobicContact CZ-CG2 4.16Å
36M92.5Very high90.9Very high14 Ų1455.3 Ų55.37%0.06929%0.286CS..Hα-helixtrans-62-41.3177.7-72.1-177128.800111.9V32 E33 I34 R39 A40 Y50 F73 M74V32-M36 HydrophobicContact CG1-SD 4.38Å; V32-M36 WeakPolarHBondContact O-CG 3.43Å; V32-M36 PolarHBondContact O-N 3.43Å; E33-M36 PolarHBondContact O-N 2.86Å; I34-M36 VanDerWaalsContact C-N 3.35Å; I34-M36 PolarHBondContact O-N 3Å; M36-R39 PolarHBondContact O-N 3.05Å; M36-A40 VanDerWaalsContact O-CB 3.28Å; M36-A40 WeakPolarHBondContact O-CB 3.35Å; M36-A40 PolarHBondContact O-N 3.42Å; M36-Y50 HydrophobicContact CE-CD1 3.61Å; M36-Y50 HydrophobicContact CE-CD2 3.45Å; M36-Y50 VanDerWaalsContact CE-CD2 3.45Å; M36-Y50 HydrophobicContact CE-CE1 3.99Å; M36-Y50 HydrophobicContact CE-CE2 3.87Å; M36-Y50 HydrophobicContact CE-CG 3.3Å; M36-Y50 HydrophobicContact CG-CE1 4.38Å; M36-F73 HydrophobicContact CE-CD1 3.64Å; M36-F73 HydrophobicContact CE-CE1 3.35Å; M36-F73 HydrophobicContact CE-CG 4.49Å; M36-F73 HydrophobicContact CE-CZ 3.98Å; M36-F73 HydrophobicContact SD-CD1 4.19Å; M36-F73 HydrophobicContact SD-CE1 3.62Å; M36-F73 HydrophobicContact SD-CZ 4.47Å; M36-M74 HydrophobicContact SD-SD 3.88Å
37K93.1Very high90.4Very high126 Ų12652.8 Ų52.855%0.54828%0.277SS..Hα-helixtrans-64.2-40.2175.3-71.8161.5-173.6156.40112.1E33 I34 F35E33-K37 WeakPolarHBondContact O-CB 3.42Å; E33-K37 WeakPolarHBondContact O-CD 3.16Å; E33-K37 VanDerWaalsContact O-CG 3.26Å; E33-K37 WeakPolarHBondContact O-CG 3.43Å; E33-K37 PolarHBondContact O-N 2.99Å; E33-K37 IonicContact OE2-NZ 3.66Å; E33-K37 PolarHBondContact OE2-NZ 3.27Å; I34-K37 PolarHBondContact O-N 2.95Å; F35-K37 VanDerWaalsContact C-N 3.34Å; F35-K37 PolarHBondContact O-N 3.37Å
38L93Very high90.1Very high22 Ų2253.1 Ų53.112%0.11528%0.278CS..Hα-helixtrans-66.8-45.9174.9-71.7173.5000111.4I34 F35 A40 R41 L220 E221 V224I34-L38 HydrophobicContact CG2-CD1 3.96Å; I34-L38 HydrophobicContact CG2-CG 4.28Å; I34-L38 WeakPolarHBondContact O-CG 3.44Å; I34-L38 PolarHBondContact O-N 2.72Å; F35-L38 PolarHBondContact O-N 2.94Å; L38-A40 VanDerWaalsContact C-N 3.35Å; L38-A40 PolarHBondContact O-N 2.99Å; L38-R41 VanDerWaalsContact O-CB 3.3Å; L38-R41 WeakPolarHBondContact O-CB 3.47Å; L38-R41 WeakPolarHBondContact O-CG 3.14Å; L38-R41 PolarHBondContact O-N 3.06Å; L38-L220 HydrophobicContact CD1-CB 3.97Å; L38-E221 HydrophobicContact CD1-CG 3.85Å; L38-E221 HydrophobicContact CD2-CG 4.31Å; L38-V224 HydrophobicContact CB-CG2 4.05Å
39R91.5Very high89.9Confident9 Ų958.5 Ų58.53%0.03430%0.299CS..Hα-helixtrans-65.6-35.9179.8-174.357.8175.9-170.4-0.5112.3F35 M36 R41 D42 S45 D48 V224 V227F35-R39 HydrophobicContact CD1-CB 4.45Å; F35-R39 HydrophobicContact CE1-CB 4.11Å; F35-R39 HydrophobicContact CE1-CG 4.41Å; F35-R39 VanDerWaalsContact O-CB 3.31Å; F35-R39 WeakPolarHBondContact O-CB 3.41Å; F35-R39 PolarHBondContact O-N 3.48Å; M36-R39 PolarHBondContact O-N 3.05Å; R39-R41 PolarHBondContact O-N 3.32Å; R39-R41 VanDerWaalsContact O-N 3.14Å; R39-D42 IonicContact NH1-OD2 3.49Å; R39-D42 WeakPolarHBondContact O-CB 3.19Å; R39-D42 PolarHBondContact O-N 3.23Å; R39-S45 VanDerWaalsContact O-CB 3.24Å; R39-S45 WeakPolarHBondContact O-CB 3.06Å; R39-S45 PolarHBondContact O-OG 2.82Å; R39-D48 IonicContact CZ-OD2 2.68Å; R39-D48 VanDerWaalsContact CZ-OD2 3.22Å; R39-D48 IonicContact NE-OD2 3.55Å; R39-D48 PolarHBondContact NE-OD2 3.2Å; R39-D48 IonicContact NH2-OD1 2.99Å; R39-D48 PolarHBondContact NH2-OD1 3.17Å; R39-D48 IonicContact NH2-OD2 2.78Å; R39-D48 PolarHBondContact NH2-OD2 3.06Å; R39-V224 HydrophobicContact CB-CG2 4.44Å; R39-V227 PolarHBondContact NH1-O 3.41Å
40A90.4Very high89.8Confident68 Ų6858.9 Ų58.956%0.56230%0.3SS*.THydrogen-bonded Turntrans-62.8-14.5175.200000114.5M36 L38 D42M36-A40 VanDerWaalsContact O-CB 3.28Å; M36-A40 WeakPolarHBondContact O-CB 3.35Å; M36-A40 PolarHBondContact O-N 3.42Å; L38-A40 VanDerWaalsContact C-N 3.35Å; L38-A40 PolarHBondContact O-N 2.99Å; A40-D42 VanDerWaalsContact C-N 3.31Å
41R90.9Very high89.8Confident190 Ų19057.6 Ų57.672%0.71729%0.286SS*.THydrogen-bonded Turntrans-71.4-25.7171.7-59.4176.6178.1175.1-1112.4L38 R39L38-R41 VanDerWaalsContact O-CB 3.3Å; L38-R41 WeakPolarHBondContact O-CB 3.47Å; L38-R41 WeakPolarHBondContact O-CG 3.14Å; L38-R41 PolarHBondContact O-N 3.06Å; R39-R41 PolarHBondContact O-N 3.32Å; R39-R41 VanDerWaalsContact O-N 3.14Å
42D86.6Confident89.8Confident63 Ų6357.5 Ų57.534%0.33729%0.285SS..SBendtrans-83.9122176.4-176.9-12.1000110.2R39 A40 A44 S45R39-D42 IonicContact NH1-OD2 3.49Å; R39-D42 WeakPolarHBondContact O-CB 3.19Å; R39-D42 PolarHBondContact O-N 3.23Å; A40-D42 VanDerWaalsContact C-N 3.31Å; D42-A44 PolarHBondContact O-N 2.65Å; D42-A44 VanDerWaalsContact O-N 3.11Å; D42-A44 VanDerWaalsContact OD1-CB 3.26Å; D42-A44 WeakPolarHBondContact OD1-CB 3.3Å; D42-A44 PolarHBondContact OD1-N 2.8Å; D42-S45 VanDerWaalsContact O-CB 3.27Å; D42-S45 WeakPolarHBondContact O-CB 3.47Å; D42-S45 PolarHBondContact O-N 3.39Å; D42-S45 PolarHBondContact O-OG 3.26Å
43P82.3Confident89.7Confident103 Ų10357.5 Ų57.567%0.66929%0.285SS*.G310 helixtrans-55.2-26175.1-26.435.6000114.8S45P43-S45 PolarHBondContact O-N 3.11Å
44A80.3Confident89.6Confident61 Ų6155 Ų5550%0.50427%0.273SS..G310 helixtrans-64.7-24.6177.100000113D42 R46 G47D42-A44 PolarHBondContact O-N 2.65Å; D42-A44 VanDerWaalsContact O-N 3.11Å; D42-A44 VanDerWaalsContact OD1-CB 3.26Å; D42-A44 WeakPolarHBondContact OD1-CB 3.3Å; D42-A44 PolarHBondContact OD1-N 2.8Å; A44-R46 PolarHBondContact O-N 2.63Å; A44-R46 VanDerWaalsContact O-N 3.09Å; A44-G47 PolarHBondContact O-N 3.02Å
45S81.3Confident89.4Confident18 Ų1853 Ų5313%0.12626%0.263CS..G310 helixtrans-63.1-16.3-175.564.90000115.1R39 D42 P43 G47 D48R39-S45 VanDerWaalsContact O-CB 3.24Å; R39-S45 WeakPolarHBondContact O-CB 3.06Å; R39-S45 PolarHBondContact O-OG 2.82Å; D42-S45 VanDerWaalsContact O-CB 3.27Å; D42-S45 WeakPolarHBondContact O-CB 3.47Å; D42-S45 PolarHBondContact O-N 3.39Å; D42-S45 PolarHBondContact O-OG 3.26Å; P43-S45 PolarHBondContact O-N 3.11Å; S45-G47 PolarHBondContact O-N 3.15Å; S45-G47 VanDerWaalsContact O-N 3.12Å; S45-D48 WeakPolarHBondContact O-CB 3.45Å; S45-D48 PolarHBondContact O-N 3.49Å
46R79.9Confident89.1Confident234 Ų23455.2 Ų55.288%0.88328%0.275SS*.G310 helixtrans-62.1-18.9178.1-66.7-179.2178.11710.5113.6A44A44-R46 PolarHBondContact O-N 2.63Å; A44-R46 VanDerWaalsContact O-N 3.09Å
47G82.1Confident88.6Confident21 Ų2161.8 Ų61.822%0.21631%0.305CS..G310 helixtrans-99.4-0.8175.700000114.4M1 A44 S45M1-G47 VanDerWaalsContact CB-O 3.25Å; M1-G47 WeakPolarHBondContact CB-O 3.27Å; M1-G47 VanDerWaalsContact CG-O 3.23Å; M1-G47 WeakPolarHBondContact CG-O 3.38Å; A44-G47 PolarHBondContact O-N 3.02Å; S45-G47 PolarHBondContact O-N 3.15Å; S45-G47 VanDerWaalsContact O-N 3.12Å
48D89.1Confident87.8Confident18 Ų1858.8 Ų58.810%0.09630%0.299CS..  trans-76.9143.8-172.6-66.48.2000111P2 L4 R39 S45 Y50P2-D48 WeakPolarHBondContact CD-OD1 3.39Å; P2-D48 WeakPolarHBondContact CG-OD1 3.32Å; P2-D48 WeakPolarHBondContact O-CA 3.43Å; L4-D48 HydrophobicContact CD1-CB 3.89Å; R39-D48 IonicContact CZ-OD2 2.68Å; R39-D48 VanDerWaalsContact CZ-OD2 3.22Å; R39-D48 IonicContact NE-OD2 3.55Å; R39-D48 PolarHBondContact NE-OD2 3.2Å; R39-D48 IonicContact NH2-OD1 2.99Å; R39-D48 PolarHBondContact NH2-OD1 3.17Å; R39-D48 IonicContact NH2-OD2 2.78Å; R39-D48 PolarHBondContact NH2-OD2 3.06Å; S45-D48 WeakPolarHBondContact O-CB 3.45Å; S45-D48 PolarHBondContact O-N 3.49Å; D48-Y50 HydrophobicContact CB-CE2 4.39Å
49R90.7Very high87Confident115 Ų11560.3 Ų60.343%0.43431%0.31SS..EExtended strand (participates in β ladder)trans-112.1132.3173.4-65.6-174.8-176.91680.5110.3P2 L4P2-R49 PolarHBondContact O-N 3.13Å; L4-R49 PolarHBondContact N-O 2.53Å
50Y93.6Very high86.6Confident40 Ų4063.2 Ų63.216%0.15732%0.321CS..EExtended strand (participates in β ladder)trans-108.9128.2179.5-57-75.2000110.1L4 F6 M36 D48L4-Y50 HydrophobicContact CB-CD1 3.97Å; L4-Y50 HydrophobicContact CB-CE1 4.3Å; L4-Y50 HydrophobicContact CD1-CD1 4.42Å; L4-Y50 HydrophobicContact CD1-CE1 4.11Å; L4-Y50 HydrophobicContact CD2-CE1 4.31Å; L4-Y50 HydrophobicContact CG-CE1 4.5Å; L4-Y50 CarbonylContact O-C 3.55Å; L4-Y50 WeakPolarHBondContact O-CA 3.48Å; F6-Y50 AromaticContact CE2-CD1 3.83Å; F6-Y50 HydrophobicContact CE2-CD1 3.83Å; F6-Y50 HydrophobicContact CE2-CE1 4.46Å; M36-Y50 HydrophobicContact CE-CD1 3.61Å; M36-Y50 HydrophobicContact CE-CD2 3.45Å; M36-Y50 VanDerWaalsContact CE-CD2 3.45Å; M36-Y50 HydrophobicContact CE-CE1 3.99Å; M36-Y50 HydrophobicContact CE-CE2 3.87Å; M36-Y50 HydrophobicContact CE-CG 3.3Å; M36-Y50 HydrophobicContact CG-CE1 4.38Å; D48-Y50 HydrophobicContact CB-CE2 4.39Å
51M94.1Very high86.3Confident1 Ų160 Ų601%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-122.1150.4176.1-62.4179.2-17000109.8I3 L4 V5 F6 A64 W66 L98I3-M51 HydrophobicContact CG2-CE 3.68Å; I3-M51 HydrophobicContact CG2-SD 4.07Å; L4-M51 PolarHBondContact O-N 2.88Å; V5-M51 HydrophobicContact CG1-CB 4.3Å; V5-M51 HydrophobicContact CG2-CB 4.23Å; V5-M51 HydrophobicContact CG2-SD 4.26Å; F6-M51 PolarHBondContact N-O 3.09Å; M51-A64 VanDerWaalsContact CA-O 3.32Å; M51-A64 WeakPolarHBondContact CA-O 3.37Å; M51-A64 WeakPolarHBondContact CB-O 3.43Å; M51-W66 HydrophobicContact CE-CD2 3.39Å; M51-W66 HydrophobicContact CE-CE3 3.47Å; M51-W66 VanDerWaalsContact CE-CE3 3.47Å; M51-W66 HydrophobicContact CE-CG 4Å; M51-W66 HydrophobicContact CE-CH2 3.88Å; M51-W66 HydrophobicContact CE-CZ2 3.79Å; M51-W66 HydrophobicContact CE-CZ3 3.73Å; M51-L98 HydrophobicContact SD-CD2 3.94Å; M51-L98 HydrophobicContact SD-CG 4.36Å
52L94.4Very high86.2Confident0 Ų051.1 Ų51.10%026%0.262CS..EExtended strand (participates in β ladder)trans-125.4121.1-179.3-177.559.9000109.8F6 L8 K63 A64 F73 E76 L77 L80F6-L52 HydrophobicContact CB-CD1 4.25Å; L8-L52 HydrophobicContact CD1-CD1 3.89Å; L8-L52 HydrophobicContact CG-CD1 4Å; L52-K63 HydrophobicContact CB-CB 4.28Å; L52-K63 HydrophobicContact CD2-CB 4.02Å; L52-K63 HydrophobicContact CD2-CG 4.43Å; L52-K63 HydrophobicContact CG-CB 4.09Å; L52-K63 HydrophobicContact CG-CG 4.43Å; L52-K63 PolarHBondContact O-N 3.1Å; L52-A64 HydrophobicContact CB-CB 3.97Å; L52-A64 PolarHBondContact N-O 3.28Å; L52-A64 PolarHBondContact O-N 3.41Å; L52-F73 HydrophobicContact CB-CD2 3.92Å; L52-F73 HydrophobicContact CB-CE2 3.75Å; L52-E76 HydrophobicContact CD2-CB 4.02Å; L52-L77 HydrophobicContact CD1-CD1 4.48Å; L52-L77 HydrophobicContact CD2-CB 4.22Å; L52-L80 HydrophobicContact CD1-CD1 4.37Å; L52-L80 HydrophobicContact CD2-CD1 4.29Å; L52-L80 HydrophobicContact CD2-CD2 4.34Å; L52-L80 HydrophobicContact CD2-CG 4.48Å
53V94.1Very high86.3Confident0 Ų049.5 Ų49.50%025%0.252CS..EExtended strand (participates in β ladder)trans-125.2136.2177.5-174.50000108.9V5 F6 L7 L8 G61 A95 L98V5-V53 HydrophobicContact CG1-CB 4.45Å; V5-V53 HydrophobicContact CG1-CG2 3.75Å; F6-V53 PolarHBondContact O-N 3.03Å; L7-V53 WeakPolarHBondContact CA-O 3.43Å; L7-V53 HydrophobicContact CD1-CB 3.7Å; L7-V53 HydrophobicContact CD1-CG1 3.53Å; L8-V53 PolarHBondContact N-O 3.47Å; V53-G61 CarbonylContact C-O 3.59Å; V53-G61 VanDerWaalsContact CA-O 3.26Å; V53-G61 WeakPolarHBondContact CA-O 3.47Å; V53-A95 HydrophobicContact CG2-CB 4.46Å; V53-L98 HydrophobicContact CG2-CD2 4.13Å
54T93.1Very high86.7Confident1 Ų144.6 Ų44.61%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-115.7176.5-179.758.40000110.8T10 D56 G61 K63 L80T10-T54 HydrophobicContact CG2-CG2 3.69Å; T54-D56 PolarHBondContact O-N 3.41Å; T54-D56 PolarHBondContact OG1-OD2 3.33Å; T54-G61 PolarHBondContact N-O 2.96Å; T54-G61 PolarHBondContact OG1-O 2.98Å; T54-K63 HydrophobicContact CG2-CG 3.81Å; T54-K63 WeakPolarHBondContact OG1-CE 2.95Å; T54-L80 HydrophobicContact CG2-CD1 4.35Å; T54-L80 HydrophobicContact CG2-CD2 3.57Å
55F90.4Very high87.1Confident8 Ų842 Ų424%0.03520%0.199CC..SBendtrans-86.316.8178.7-71.815.1000113.1L7 D9 T10 T87 L88 A91L7-F55 HydrophobicContact CD2-CE1 3.95Å; L7-F55 HydrophobicContact CG-CE1 4.01Å; D9-F55 HydrophobicContact CB-CD2 4.34Å; D9-F55 HydrophobicContact CB-CE1 4.3Å; D9-F55 HydrophobicContact CB-CE2 3.8Å; D9-F55 HydrophobicContact CB-CZ 3.76Å; D9-F55 WeakPolarHBondContact OD1-CD2 3.27Å; D9-F55 WeakPolarHBondContact OD1-CE2 3.35Å; D9-F55 WeakPolarHBondContact OD2-CE2 3.3Å; T10-F55 PolarHBondContact OG1-N 2.97Å; F55-T87 PolarHBondContact O-OG1 3.4Å; F55-L88 HydrophobicContact CE1-CD1 4.17Å; F55-L88 HydrophobicContact CE2-CB 4.14Å; F55-L88 HydrophobicContact CZ-CB 4.05Å; F55-L88 HydrophobicContact CZ-CD1 3.69Å; F55-L88 HydrophobicContact CZ-CG 4.47Å; F55-A91 HydrophobicContact CD1-CB 3.36Å; F55-A91 HydrophobicContact CE1-CB 3.79Å; F55-A91 HydrophobicContact CG-CB 4.09Å
56D87.3Confident87.3Confident48 Ų4842.6 Ų42.626%0.25720%0.199SC..SBendtrans-77.6151.7178.6-51.5-44.4000111.6T54 G61 K63T54-D56 PolarHBondContact O-N 3.41Å; T54-D56 PolarHBondContact OG1-OD2 3.33Å; D56-G61 WeakPolarHBondContact O-CA 3.35Å; D56-K63 WeakPolarHBondContact OD2-CE 3.48Å; D56-K63 IonicContact OD2-NZ 3.86Å; D56-K63 PolarHBondContact OD2-NZ 3.43Å
57E82Confident87.6Confident151 Ų15137.5 Ų37.571%0.70618%0.183SC*.PPolyproline II helixtrans-61.6141.3179.3-62.8-173162.400112.7Y60E57-Y60 WeakPolarHBondContact O-CA 3.47Å; E57-Y60 WeakPolarHBondContact O-CB 3.39Å; E57-Y60 PolarHBondContact O-N 3.36Å
58P77.6Confident87.7Confident64 Ų6440.1 Ų40.142%0.41619%0.19SC..THydrogen-bonded Turntrans-60.5141.9175.1-25.534.9000112.5H90P58-H90 WeakPolarHBondContact CD-NE2 3.2Å; P58-H90 WeakPolarHBondContact CG-NE2 3.34Å
59P76.1Confident87.6Confident54 Ų5444.9 Ų44.935%0.35122%0.215SC..THydrogen-bonded Turncis-86.13.87.935.1-37.3000114.8G61P59-G61 PolarHBondContact O-N 2.65Å
60Y82.8Confident87.4Confident69 Ų6944.6 Ų44.627%0.27122%0.218SC..THydrogen-bonded Turntrans-81.9-13.2-165.7-50.9-63.6000115E57 V62 K63 K480 A482 P483E57-Y60 WeakPolarHBondContact O-CA 3.47Å; E57-Y60 WeakPolarHBondContact O-CB 3.39Å; E57-Y60 PolarHBondContact O-N 3.36Å; Y60-V62 PolarHBondContact O-N 3.07Å; Y60-K63 PolarHBondContact O-NZ 3.09Å; Y60-K480 WeakPolarHBondContact CD1-O 3.43Å; Y60-A482 HydrophobicContact CD1-CB 4.29Å; Y60-A482 HydrophobicContact CD2-CB 3.71Å; Y60-A482 HydrophobicContact CE1-CB 4.49Å; Y60-A482 HydrophobicContact CE2-CB 3.95Å; Y60-A482 HydrophobicContact CG-CB 3.89Å; Y60-P483 VanDerWaalsContact OH-CD 3.25Å; Y60-P483 WeakPolarHBondContact OH-CD 3.39Å
61G83.7Confident87.1Confident2 Ų246.2 Ų46.22%0.02124%0.24CC..THydrogen-bonded Turntrans-62.4-21.6176.300000115.1V53 T54 D56 P59V53-G61 CarbonylContact C-O 3.59Å; V53-G61 VanDerWaalsContact CA-O 3.26Å; V53-G61 WeakPolarHBondContact CA-O 3.47Å; T54-G61 PolarHBondContact N-O 2.96Å; T54-G61 PolarHBondContact OG1-O 2.98Å; D56-G61 WeakPolarHBondContact O-CA 3.35Å; P59-G61 PolarHBondContact O-N 2.65Å
62V90Very high86.9Confident3 Ų348.5 Ų48.52%0.01825%0.254CS..EExtended strand (participates in β ladder)trans-95.1103.5178-174.20000110.4Y60 T94 L98 V478Y60-V62 PolarHBondContact O-N 3.07Å; V62-T94 HydrophobicContact CG2-CG2 4.03Å; V62-L98 HydrophobicContact CG1-CD2 3.97Å; V62-L98 HydrophobicContact CG2-CD2 4.25Å; V62-V478 HydrophobicContact CB-CG2 4.43Å; V62-V478 HydrophobicContact CG1-CG1 4.48Å; V62-V478 HydrophobicContact CG1-CG2 3.86Å
63K88.6Confident86.7Confident29 Ų2948.5 Ų48.513%0.12625%0.254CS..EExtended strand (participates in β ladder)trans-84.5-42.3179.4-54.7-55-176.2-156.50112.8L52 T54 D56 Y60 E76 L80 V478L52-K63 HydrophobicContact CB-CB 4.28Å; L52-K63 HydrophobicContact CD2-CB 4.02Å; L52-K63 HydrophobicContact CD2-CG 4.43Å; L52-K63 HydrophobicContact CG-CB 4.09Å; L52-K63 HydrophobicContact CG-CG 4.43Å; L52-K63 PolarHBondContact O-N 3.1Å; T54-K63 HydrophobicContact CG2-CG 3.81Å; T54-K63 WeakPolarHBondContact OG1-CE 2.95Å; D56-K63 WeakPolarHBondContact OD2-CE 3.48Å; D56-K63 IonicContact OD2-NZ 3.86Å; D56-K63 PolarHBondContact OD2-NZ 3.43Å; Y60-K63 PolarHBondContact O-NZ 3.09Å; K63-E76 HydrophobicContact CB-CB 4.08Å; K63-E76 HydrophobicContact CB-CG 4.21Å; K63-L80 HydrophobicContact CG-CD2 4.23Å; K63-V478 VanDerWaalsContact O-CG1 3.27Å; K63-V478 WeakPolarHBondContact O-CG1 3.08Å
64A89.6Confident86.6Confident0 Ų050.2 Ų50.20%026%0.262CS..EExtended strand (participates in β ladder)trans-133.7125.8177.100000110.4M51 L52 E68 F73M51-A64 VanDerWaalsContact CA-O 3.32Å; M51-A64 WeakPolarHBondContact CA-O 3.37Å; M51-A64 WeakPolarHBondContact CB-O 3.43Å; L52-A64 HydrophobicContact CB-CB 3.97Å; L52-A64 PolarHBondContact N-O 3.28Å; L52-A64 PolarHBondContact O-N 3.41Å; A64-E68 HydrophobicContact CB-CB 4.29Å; A64-E68 HydrophobicContact CB-CG 4.44Å; A64-F73 HydrophobicContact CB-CB 4.25Å; A64-F73 HydrophobicContact CB-CD2 4.07Å
65G88.4Confident86.5Confident6 Ų653.2 Ų53.26%0.06228%0.283CS..  trans-129.8-155.8-17400000113.7K67 E68G65-K67 VanDerWaalsContact C-N 3.3Å; G65-K67 PolarHBondContact O-N 3.16Å; G65-K67 VanDerWaalsContact O-N 3.07Å; G65-E68 PolarHBondContact O-N 3.4Å; G65-E68 VanDerWaalsContact O-N 3.15Å
66W85.7Confident86.5Confident30 Ų3055.1 Ų55.111%0.11429%0.292CS..THydrogen-bonded Turntrans-56.5-26-166.4-68.3100.8000118.2I3 M51 L98 L99 N102 E121I3-W66 HydrophobicContact CD1-CH2 3.4Å; I3-W66 VanDerWaalsContact CD1-CH2 3.4Å; I3-W66 HydrophobicContact CD1-CZ3 3.48Å; I3-W66 VanDerWaalsContact CD1-CZ3 3.48Å; M51-W66 HydrophobicContact CE-CD2 3.39Å; M51-W66 HydrophobicContact CE-CE3 3.47Å; M51-W66 VanDerWaalsContact CE-CE3 3.47Å; M51-W66 HydrophobicContact CE-CG 4Å; M51-W66 HydrophobicContact CE-CH2 3.88Å; M51-W66 HydrophobicContact CE-CZ2 3.79Å; M51-W66 HydrophobicContact CE-CZ3 3.73Å; W66-L98 WeakPolarHBondContact CZ2-O 3.34Å; W66-L98 PolarHBondContact NE1-O 3.47Å; W66-L98 VanDerWaalsContact NE1-O 3.09Å; W66-L99 HydrophobicContact CZ2-CD2 4.37Å; W66-N102 HydrophobicContact CD2-CB 4.24Å; W66-N102 HydrophobicContact CE3-CB 4.4Å; W66-N102 HydrophobicContact CH2-CB 3.38Å; W66-N102 WeakPolarHBondContact CH2-ND2 3.33Å; W66-N102 HydrophobicContact CZ2-CB 3.18Å; W66-N102 HydrophobicContact CZ3-CB 4Å; W66-N102 WeakPolarHBondContact CZ3-ND2 3.47Å; W66-E121 VanDerWaalsContact CH2-OE1 3.26Å; W66-E121 WeakPolarHBondContact CH2-OE1 3.43Å; W66-E121 WeakPolarHBondContact CZ3-OE1 3.41Å
67K85.4Confident86.7Confident128 Ų12852.9 Ų52.956%0.55728%0.28SS*.THydrogen-bonded Turntrans-109.11.6-177.5-65.6-172.2-1741470113.5G65 D472 I475G65-K67 VanDerWaalsContact C-N 3.3Å; G65-K67 PolarHBondContact O-N 3.16Å; G65-K67 VanDerWaalsContact O-N 3.07Å; K67-D472 IonicContact NZ-OD1 3.57Å; K67-D472 PolarHBondContact NZ-OD1 3.38Å; K67-I475 HydrophobicContact CD-CD1 4.36Å; K67-I475 HydrophobicContact CD-CG2 3.75Å; K67-I475 HydrophobicContact CG-CD1 4.41Å; K67-I475 HydrophobicContact CG-CG2 4.25Å
68E84.9Confident87.2Confident75 Ų7551.6 Ų51.635%0.3527%0.272SS..  trans-83.3143.3-173.2-65.9-47.6131.500113.7A64 G65 T72 V478A64-E68 HydrophobicContact CB-CB 4.29Å; A64-E68 HydrophobicContact CB-CG 4.44Å; G65-E68 PolarHBondContact O-N 3.4Å; G65-E68 VanDerWaalsContact O-N 3.15Å; E68-T72 WeakPolarHBondContact OE2-CB 3.41Å; E68-T72 WeakPolarHBondContact OE2-CG2 3.36Å; E68-T72 PolarHBondContact OE2-OG1 3.31Å; E68-V478 HydrophobicContact CG-CG1 4.22Å
69N86.8Confident87.7Confident118 Ų11853.1 Ų53.163%0.63128%0.277SS*.  trans-82.9156.8176.7-70.8-27.6000110.7A71 T72 F73N69-A71 PolarHBondContact O-N 3.48Å; N69-A71 VanDerWaalsContact O-N 3.1Å; N69-T72 PolarHBondContact O-N 3.27Å; N69-F73 PolarHBondContact O-N 3.15Å; N69-F73 VanDerWaalsContact O-N 3.1Å
70H86.8Confident88.4Confident109 Ų10951 Ų5151%0.50526%0.262SS..Hα-helixtrans-52.7-33.6174.3179.973.4000112.9F73 M74H70-F73 PolarHBondContact O-N 3.28Å; H70-M74 WeakPolarHBondContact O-CB 3.29Å; H70-M74 VanDerWaalsContact O-CG 3.32Å; H70-M74 WeakPolarHBondContact O-CG 3.38Å; H70-M74 PolarHBondContact O-N 2.87Å
71A87.8Confident88.7Confident74 Ų7453.9 Ų53.961%0.61228%0.278SS*.Hα-helixtrans-65-41.9174.400000113.3N69 M74 C75N69-A71 PolarHBondContact O-N 3.48Å; N69-A71 VanDerWaalsContact O-N 3.1Å; A71-M74 PolarHBondContact O-N 2.59Å; A71-C75 WeakPolarHBondContact O-CB 3.33Å; A71-C75 PolarHBondContact O-N 2.73Å
72T88.6Confident89Confident49 Ų4954.3 Ų54.330%0.30128%0.281SS..Hα-helixtrans-63.7-47.1175.1-40.40000110.1E68 N69 M74 C75 E76E68-T72 WeakPolarHBondContact OE2-CB 3.41Å; E68-T72 WeakPolarHBondContact OE2-CG2 3.36Å; E68-T72 PolarHBondContact OE2-OG1 3.31Å; N69-T72 PolarHBondContact O-N 3.27Å; T72-M74 VanDerWaalsContact C-N 3.34Å; T72-M74 PolarHBondContact O-N 2.86Å; T72-C75 WeakPolarHBondContact O-CB 3.39Å; T72-C75 PolarHBondContact O-N 3.19Å; T72-C75 VanDerWaalsContact O-N 3.12Å; T72-E76 PolarHBondContact O-N 3.03Å
73F92Very high88.8Confident1 Ų158.8 Ų58.80%0.00431%0.313CS..Hα-helixtrans-53.9-48.7177174-82.8000111.8F6 V32 M36 L52 A64 N69 H70 C75 E76 L77F6-F73 AromaticContact CD2-CE2 3.9Å; F6-F73 HydrophobicContact CD2-CE2 3.9Å; F6-F73 AromaticContact CD2-CZ 3.55Å; F6-F73 HydrophobicContact CD2-CZ 3.55Å; F6-F73 HydrophobicContact CE2-CZ 4.02Å; F6-F73 HydrophobicContact CG-CZ 4.39Å; V32-F73 HydrophobicContact CG1-CE1 4.08Å; V32-F73 HydrophobicContact CG1-CZ 3.96Å; M36-F73 HydrophobicContact CE-CD1 3.64Å; M36-F73 HydrophobicContact CE-CE1 3.35Å; M36-F73 HydrophobicContact CE-CG 4.49Å; M36-F73 HydrophobicContact CE-CZ 3.98Å; M36-F73 HydrophobicContact SD-CD1 4.19Å; M36-F73 HydrophobicContact SD-CE1 3.62Å; M36-F73 HydrophobicContact SD-CZ 4.47Å; L52-F73 HydrophobicContact CB-CD2 3.92Å; L52-F73 HydrophobicContact CB-CE2 3.75Å; A64-F73 HydrophobicContact CB-CB 4.25Å; A64-F73 HydrophobicContact CB-CD2 4.07Å; N69-F73 PolarHBondContact O-N 3.15Å; N69-F73 VanDerWaalsContact O-N 3.1Å; H70-F73 PolarHBondContact O-N 3.28Å; F73-C75 VanDerWaalsContact C-N 3.33Å; F73-C75 PolarHBondContact O-N 2.94Å; F73-E76 PolarHBondContact O-N 3Å; F73-L77 HydrophobicContact CE1-CD2 4.04Å; F73-L77 VanDerWaalsContact O-CB 3.25Å; F73-L77 WeakPolarHBondContact O-CB 3.42Å; F73-L77 PolarHBondContact O-N 3.34Å
74M91.6Very high88.6Confident35 Ų3558.5 Ų58.517%0.17232%0.318CS..Hα-helixtrans-68.7-28.8179.7-71.1-62.7-66.100113.4E33 M36 H70 A71 T72 L77 K78E33-M74 HydrophobicContact CG-CE 4.03Å; M36-M74 HydrophobicContact SD-SD 3.88Å; H70-M74 WeakPolarHBondContact O-CB 3.29Å; H70-M74 VanDerWaalsContact O-CG 3.32Å; H70-M74 WeakPolarHBondContact O-CG 3.38Å; H70-M74 PolarHBondContact O-N 2.87Å; A71-M74 PolarHBondContact O-N 2.59Å; T72-M74 VanDerWaalsContact C-N 3.34Å; T72-M74 PolarHBondContact O-N 2.86Å; M74-L77 HydrophobicContact SD-CD2 4.14Å; M74-K78 VanDerWaalsContact O-CG 3.29Å; M74-K78 WeakPolarHBondContact O-CG 3.36Å; M74-K78 PolarHBondContact O-N 2.9Å
75C90.1Very high88.5Confident64 Ų6462.2 Ų62.243%0.43234%0.338SS..Hα-helixtrans-70.1-51.3174.2-167.50000110.9A71 T72 F73 L77 K78 N79A71-C75 WeakPolarHBondContact O-CB 3.33Å; A71-C75 PolarHBondContact O-N 2.73Å; T72-C75 WeakPolarHBondContact O-CB 3.39Å; T72-C75 PolarHBondContact O-N 3.19Å; T72-C75 VanDerWaalsContact O-N 3.12Å; F73-C75 VanDerWaalsContact C-N 3.33Å; F73-C75 PolarHBondContact O-N 2.94Å; C75-L77 PolarHBondContact O-N 3.01Å; C75-K78 PolarHBondContact O-N 3.37Å; C75-N79 VanDerWaalsContact O-CG 3.28Å; C75-N79 PolarHBondContact O-N 2.86Å; C75-N79 VanDerWaalsContact O-N 3.08Å; C75-N79 PolarHBondContact O-ND2 2.8Å
76E89.8Confident88.5Confident48 Ų4862.2 Ų62.222%0.22434%0.336CS..Hα-helixtrans-59.9-44.7177-71.9-59.6126.300111.9L52 K63 T72 F73 K78 N79 L80L52-E76 HydrophobicContact CD2-CB 4.02Å; K63-E76 HydrophobicContact CB-CB 4.08Å; K63-E76 HydrophobicContact CB-CG 4.21Å; T72-E76 PolarHBondContact O-N 3.03Å; F73-E76 PolarHBondContact O-N 3Å; E76-K78 VanDerWaalsContact C-N 3.3Å; E76-K78 PolarHBondContact O-N 3.31Å; E76-N79 PolarHBondContact O-N 3.45Å; E76-N79 VanDerWaalsContact O-N 3.13Å; E76-L80 WeakPolarHBondContact O-CG 3.49Å; E76-L80 PolarHBondContact O-N 3.42Å; E76-L80 VanDerWaalsContact O-N 3.09Å
77L93Very high88.6Confident1 Ų162 Ų621%0.00534%0.339CS..Hα-helixtrans-55.3-42.8176.7179.765.4000112.3L8 K29 V32 L52 F73 M74 C75 L80L8-L77 HydrophobicContact CD1-CD1 3.4Å; L8-L77 VanDerWaalsContact CD1-CD1 3.4Å; K29-L77 WeakPolarHBondContact CE-O 3.24Å; K29-L77 HydrophobicContact CG-CD1 4.22Å; K29-L77 HydrophobicContact CG-CG 4.46Å; V32-L77 HydrophobicContact CB-CD1 4.46Å; V32-L77 HydrophobicContact CB-CD2 4.1Å; V32-L77 HydrophobicContact CG1-CD1 4.39Å; V32-L77 HydrophobicContact CG1-CD2 3.68Å; L52-L77 HydrophobicContact CD1-CD1 4.48Å; L52-L77 HydrophobicContact CD2-CB 4.22Å; F73-L77 HydrophobicContact CE1-CD2 4.04Å; F73-L77 VanDerWaalsContact O-CB 3.25Å; F73-L77 WeakPolarHBondContact O-CB 3.42Å; F73-L77 PolarHBondContact O-N 3.34Å; M74-L77 HydrophobicContact SD-CD2 4.14Å; C75-L77 PolarHBondContact O-N 3.01Å; L77-L80 HydrophobicContact CD1-CD1 4.27Å
78K91.6Very high88.7Confident125 Ų12556.2 Ų56.254%0.54331%0.314SS..Hα-helixtrans-68.4-41.6178.1-73.9175.3-178.3-171.60111.6K29 M74 C75 E76 L80K29-K78 PolarHBondContact NZ-O 2.92Å; M74-K78 VanDerWaalsContact O-CG 3.29Å; M74-K78 WeakPolarHBondContact O-CG 3.36Å; M74-K78 PolarHBondContact O-N 2.9Å; C75-K78 PolarHBondContact O-N 3.37Å; E76-K78 VanDerWaalsContact C-N 3.3Å; E76-K78 PolarHBondContact O-N 3.31Å; K78-L80 VanDerWaalsContact C-N 3.31Å; K78-L80 PolarHBondContact O-N 2.96Å
79N89.4Confident88.9Confident95 Ų9553 Ų5351%0.50830%0.301SS..Hα-helixtrans-73.8-13.8-176.4-67.9-27.2000114.6C75 E76 Q81C75-N79 VanDerWaalsContact O-CG 3.28Å; C75-N79 PolarHBondContact O-N 2.86Å; C75-N79 VanDerWaalsContact O-N 3.08Å; C75-N79 PolarHBondContact O-ND2 2.8Å; E76-N79 PolarHBondContact O-N 3.45Å; E76-N79 VanDerWaalsContact O-N 3.13Å; N79-Q81 PolarHBondContact O-N 3.35Å; N79-Q81 PolarHBondContact O-NE2 3.31Å
80L90.7Very high88.9Confident9 Ų951.1 Ų51.15%0.04729%0.288CS..  trans-51137.1178.2-64.4-174.1000112.8L8 T10 K29 L52 T54 K63 E76 L77 K78L8-L80 HydrophobicContact CB-CD1 4.26Å; L8-L80 HydrophobicContact CD1-CD1 3.7Å; T10-L80 HydrophobicContact CG2-CD1 4.37Å; T10-L80 HydrophobicContact CG2-CD2 4.47Å; K29-L80 PolarHBondContact NZ-O 3.31Å; L52-L80 HydrophobicContact CD1-CD1 4.37Å; L52-L80 HydrophobicContact CD2-CD1 4.29Å; L52-L80 HydrophobicContact CD2-CD2 4.34Å; L52-L80 HydrophobicContact CD2-CG 4.48Å; T54-L80 HydrophobicContact CG2-CD1 4.35Å; T54-L80 HydrophobicContact CG2-CD2 3.57Å; K63-L80 HydrophobicContact CG-CD2 4.23Å; E76-L80 WeakPolarHBondContact O-CG 3.49Å; E76-L80 PolarHBondContact O-N 3.42Å; E76-L80 VanDerWaalsContact O-N 3.09Å; L77-L80 HydrophobicContact CD1-CD1 4.27Å; K78-L80 VanDerWaalsContact C-N 3.31Å; K78-L80 PolarHBondContact O-N 2.96Å
81Q88.6Confident89.1Confident130 Ų13046.1 Ų46.161%0.60727%0.265SS*.  trans-120146.3175.5-55.2-59-56.800109.4T10 N79 S83T10-Q81 WeakPolarHBondContact CB-O 3.4Å; N79-Q81 PolarHBondContact O-N 3.35Å; N79-Q81 PolarHBondContact O-NE2 3.31Å; Q81-S83 PolarHBondContact O-N 2.84Å
82A90Very high89.3Confident11 Ų1142.6 Ų42.69%0.09124%0.236CC..  trans-92.691.317500000109.5T10 S11 M14 N15 L25T10-A82 CarbonylContact O-C 3.36Å; T10-A82 WeakPolarHBondContact O-CA 3.43Å; S11-A82 VanDerWaalsContact O-CB 3.3Å; S11-A82 WeakPolarHBondContact O-CB 3.39Å; M14-A82 HydrophobicContact CB-CB 4.17Å; N15-A82 WeakPolarHBondContact ND2-CB 3.39Å; N15-A82 PolarHBondContact ND2-O 3.36Å; N15-A82 WeakPolarHBondContact OD1-CB 3.47Å; L25-A82 HydrophobicContact CB-CB 4.46Å; L25-A82 HydrophobicContact CD2-CB 3.79Å
83S85.3Confident89.3Confident97 Ų9741 Ų4168%0.67823%0.225SC*.  trans-146.624.2-171.867.10000114.8T10 Q81T10-S83 PolarHBondContact O-N 2.91Å; Q81-S83 PolarHBondContact O-N 2.84Å
84G85.1Confident89.2Confident23 Ų2342.1 Ų42.124%0.23723%0.232CC..BIsolated β-bridgetrans-120-169.9179.100000115.1T10 S11 A12T10-G84 PolarHBondContact O-N 3.43Å; S11-G84 CarbonylContact C-O 3.48Å; S11-G84 VanDerWaalsContact CA-O 3.24Å; S11-G84 WeakPolarHBondContact CA-O 3.45Å; A12-G84 PolarHBondContact N-O 2.92Å
85L87.6Confident89.2Confident78 Ų7840.4 Ų40.441%0.40822%0.223SC..  trans-94.7158.7168.9-64.6178.9000110.5T87L85-T87 HydrophobicContact CB-CG2 3.99Å; L85-T87 PolarHBondContact O-N 3.23Å
86T87.1Confident89.3Confident6 Ų637.4 Ų37.44%0.03720%0.203CC..  trans-77.360.2175.646.10000113S11 L88 K133 L134 T135S11-T86 WeakPolarHBondContact OG-CG2 3.35Å; T86-L88 PolarHBondContact O-N 3.28Å; T86-K133 PolarHBondContact OG1-O 2.81Å; T86-L134 WeakPolarHBondContact OG1-CA 3.25Å; T86-T135 CarbonylContact C-O 3.51Å; T86-T135 PolarHBondContact N-OG1 3.14Å; T86-T135 PolarHBondContact OG1-N 3.29Å; T86-T135 PolarHBondContact OG1-OG1 2.84Å
87T87.5Confident89.3Confident27 Ų2736.6 Ų36.617%0.16620%0.2CC..  trans-76.540.1-178.457.40000113.8F55 L85 G89 H90 A91F55-T87 PolarHBondContact O-OG1 3.4Å; L85-T87 HydrophobicContact CB-CG2 3.99Å; L85-T87 PolarHBondContact O-N 3.23Å; T87-G89 VanDerWaalsContact C-N 3.28Å; T87-G89 PolarHBondContact O-N 3Å; T87-H90 WeakPolarHBondContact O-CB 3.45Å; T87-H90 PolarHBondContact O-N 3.48Å; T87-A91 PolarHBondContact O-N 3.01Å; T87-A91 VanDerWaalsContact O-N 3.09Å
88L89.2Confident89.1Confident5 Ų536.7 Ų36.73%0.02620%0.201CC..Hα-helixtrans-46.9-44.7-171.2173.963.8000113.7L7 F55 T86 H90 A91 L92 T127 L134 L144 I196L7-L88 HydrophobicContact CD2-CD1 4.05Å; F55-L88 HydrophobicContact CE1-CD1 4.17Å; F55-L88 HydrophobicContact CE2-CB 4.14Å; F55-L88 HydrophobicContact CZ-CB 4.05Å; F55-L88 HydrophobicContact CZ-CD1 3.69Å; F55-L88 HydrophobicContact CZ-CG 4.47Å; T86-L88 PolarHBondContact O-N 3.28Å; L88-H90 VanDerWaalsContact C-N 3.29Å; L88-H90 PolarHBondContact O-N 3.38Å; L88-A91 PolarHBondContact O-N 3.22Å; L88-L92 HydrophobicContact CD1-CD1 3.8Å; L88-L92 HydrophobicContact CD1-CG 3.89Å; L88-L92 HydrophobicContact CG-CD1 3.86Å; L88-L92 HydrophobicContact CG-CG 4.37Å; L88-L92 WeakPolarHBondContact O-CB 3.48Å; L88-L92 WeakPolarHBondContact O-CG 3.42Å; L88-L92 PolarHBondContact O-N 3.06Å; L88-T127 HydrophobicContact CD1-CG2 3.97Å; L88-L134 HydrophobicContact CB-CD2 3.84Å; L88-L134 HydrophobicContact CD2-CD2 3.91Å; L88-L144 HydrophobicContact CB-CD1 4.22Å; L88-L144 HydrophobicContact CD2-CD1 3.94Å; L88-L144 HydrophobicContact CD2-CD2 3.8Å; L88-L144 HydrophobicContact CG-CD1 3.95Å; L88-L144 HydrophobicContact CG-CD2 4.35Å; L88-I196 HydrophobicContact CD1-CD1 4.11Å; L88-I196 HydrophobicContact CD2-CB 4.19Å; L88-I196 HydrophobicContact CD2-CD1 4.05Å; L88-I196 HydrophobicContact CD2-CG1 4.35Å
89G88.4Confident89.1Confident8 Ų830.9 Ų30.98%0.08218%0.175CC..Hα-helixtrans-64.5-33.1-178.800000113.4T87 R93 L146T87-G89 VanDerWaalsContact C-N 3.28Å; T87-G89 PolarHBondContact O-N 3Å; G89-R93 VanDerWaalsContact O-CB 3.23Å; G89-R93 WeakPolarHBondContact O-CB 3.22Å; G89-R93 PolarHBondContact O-N 3.05Å; G89-R93 VanDerWaalsContact O-N 3.16Å; G89-L146 VanDerWaalsContact O-CD2 3.23Å; G89-L146 WeakPolarHBondContact O-CD2 3.4Å
90H87.7Confident89.2Confident79 Ų7926.7 Ų26.737%0.36615%0.153SC..Hα-helixtrans-78.3-38.3177-166.172.8000112.2P58 T87 L88 R93 T94P58-H90 WeakPolarHBondContact CD-NE2 3.2Å; P58-H90 WeakPolarHBondContact CG-NE2 3.34Å; T87-H90 WeakPolarHBondContact O-CB 3.45Å; T87-H90 PolarHBondContact O-N 3.48Å; L88-H90 VanDerWaalsContact C-N 3.29Å; L88-H90 PolarHBondContact O-N 3.38Å; H90-R93 PolarHBondContact O-N 3.36Å; H90-T94 PolarHBondContact O-N 2.8Å; H90-T94 PolarHBondContact O-OG1 2.96Å
91A90.1Very high89Confident3 Ų326.5 Ų26.53%0.02515%0.152CC..Hα-helixtrans-65-47.8174.900000111.9L7 F55 T87 L88 R93 T94 A95L7-A91 HydrophobicContact CD1-CB 3.89Å; L7-A91 HydrophobicContact CD2-CB 4.34Å; L7-A91 HydrophobicContact CG-CB 4.47Å; F55-A91 HydrophobicContact CD1-CB 3.36Å; F55-A91 HydrophobicContact CE1-CB 3.79Å; F55-A91 HydrophobicContact CG-CB 4.09Å; T87-A91 PolarHBondContact O-N 3.01Å; T87-A91 VanDerWaalsContact O-N 3.09Å; L88-A91 PolarHBondContact O-N 3.22Å; A91-R93 VanDerWaalsContact C-N 3.3Å; A91-R93 PolarHBondContact O-N 2.72Å; A91-T94 PolarHBondContact O-N 2.87Å; A91-A95 PolarHBondContact O-N 3.36Å
92L91.1Very high89Confident0 Ų021.5 Ų21.50%013%0.13CC..Hα-helixtrans-56.3-45.3173.1-80.1170.6000111.3L7 L88 T94 A95 F96 L144 L146 L168L7-L92 HydrophobicContact CD2-CD2 3.69Å; L7-L92 HydrophobicContact CD2-CG 3.84Å; L88-L92 HydrophobicContact CD1-CD1 3.8Å; L88-L92 HydrophobicContact CD1-CG 3.89Å; L88-L92 HydrophobicContact CG-CD1 3.86Å; L88-L92 HydrophobicContact CG-CG 4.37Å; L88-L92 WeakPolarHBondContact O-CB 3.48Å; L88-L92 WeakPolarHBondContact O-CG 3.42Å; L88-L92 PolarHBondContact O-N 3.06Å; L92-T94 PolarHBondContact O-N 2.9Å; L92-A95 WeakPolarHBondContact O-CB 3.5Å; L92-A95 PolarHBondContact O-N 3.08Å; L92-F96 HydrophobicContact CB-CE2 4.29Å; L92-F96 WeakPolarHBondContact O-CD2 3.47Å; L92-F96 PolarHBondContact O-N 2.59Å; L92-L144 HydrophobicContact CD1-CD2 4.13Å; L92-L146 HydrophobicContact CB-CD2 3.98Å; L92-L146 HydrophobicContact CD1-CD2 4.34Å; L92-L168 HydrophobicContact CD1-CD2 4.47Å; L92-L168 HydrophobicContact CD2-CD1 3.65Å; L92-L168 HydrophobicContact CD2-CD2 3.91Å; L92-L168 HydrophobicContact CD2-CG 4.46Å
93R89.4Confident89Confident16 Ų1621.1 Ų21.16%0.0613%0.126CC..Hα-helixtrans-60.5-45.1178.4-178.865.5-150.7-73.8-24.1111.9G89 H90 A91 A95 F96 D97 P147 S150G89-R93 VanDerWaalsContact O-CB 3.23Å; G89-R93 WeakPolarHBondContact O-CB 3.22Å; G89-R93 PolarHBondContact O-N 3.05Å; G89-R93 VanDerWaalsContact O-N 3.16Å; H90-R93 PolarHBondContact O-N 3.36Å; A91-R93 VanDerWaalsContact C-N 3.3Å; A91-R93 PolarHBondContact O-N 2.72Å; R93-A95 VanDerWaalsContact C-N 3.32Å; R93-A95 PolarHBondContact O-N 2.94Å; R93-F96 PolarHBondContact O-N 3.15Å; R93-D97 IonicContact CZ-OD1 3.95Å; R93-D97 IonicContact CZ-OD2 3.71Å; R93-D97 IonicContact NE-OD1 3.75Å; R93-D97 PolarHBondContact NE-OD1 2.96Å; R93-D97 IonicContact NE-OD2 2.76Å; R93-D97 PolarHBondContact NE-OD2 2.93Å; R93-D97 IonicContact NH2-OD1 3.31Å; R93-D97 PolarHBondContact NH2-OD1 3.24Å; R93-D97 IonicContact NH2-OD2 2.71Å; R93-D97 PolarHBondContact NH2-OD2 2.87Å; R93-D97 VanDerWaalsContact O-CG 3.25Å; R93-D97 PolarHBondContact O-N 3.43Å; R93-P147 HydrophobicContact CB-CG 4.44Å; R93-P147 HydrophobicContact CG-CG 4.36Å; R93-P147 PolarHBondContact NH1-O 3.05Å; R93-S150 VanDerWaalsContact NH2-CA 3.28Å; R93-S150 PolarHBondContact NH2-OG 3.3Å
94T89.6Confident89.1Confident24 Ų2417.4 Ų17.415%0.14710%0.098CC..Hα-helixtrans-61.6-38.6175.7-57.60000111.9V62 H90 A91 L92 L98V62-T94 HydrophobicContact CG2-CG2 4.03Å; H90-T94 PolarHBondContact O-N 2.8Å; H90-T94 PolarHBondContact O-OG1 2.96Å; A91-T94 PolarHBondContact O-N 2.87Å; L92-T94 PolarHBondContact O-N 2.9Å; T94-L98 WeakPolarHBondContact O-CB 3.44Å; T94-L98 PolarHBondContact O-N 2.88Å
95A92Very high89.2Confident0 Ų018.4 Ų18.40%010%0.1CC..Hα-helixtrans-67-42.1175.400000112.8V5 L7 V53 A91 L92 R93 L99 I125V5-A95 HydrophobicContact CG1-CB 4.32Å; L7-A95 HydrophobicContact CD1-CB 4.2Å; V53-A95 HydrophobicContact CG2-CB 4.46Å; A91-A95 PolarHBondContact O-N 3.36Å; L92-A95 WeakPolarHBondContact O-CB 3.5Å; L92-A95 PolarHBondContact O-N 3.08Å; R93-A95 VanDerWaalsContact C-N 3.32Å; R93-A95 PolarHBondContact O-N 2.94Å; A95-L99 WeakPolarHBondContact O-CG 3.28Å; A95-L99 PolarHBondContact O-N 3.41Å; A95-I125 HydrophobicContact CB-CD1 4.29Å
96F91.9Very high89.1Confident0 Ų017.9 Ų17.90%010%0.102CC..Hα-helixtrans-64.5-43.3174.2-70.6-55.1000112L92 R93 L99 N100 I125 L146 P161 F162 T203L92-F96 HydrophobicContact CB-CE2 4.29Å; L92-F96 WeakPolarHBondContact O-CD2 3.47Å; L92-F96 PolarHBondContact O-N 2.59Å; R93-F96 PolarHBondContact O-N 3.15Å; F96-L99 PolarHBondContact O-N 2.91Å; F96-N100 WeakPolarHBondContact O-CB 3.44Å; F96-N100 PolarHBondContact O-N 3.36Å; F96-N100 PolarHBondContact O-ND2 3.01Å; F96-I125 HydrophobicContact CD1-CD1 3.72Å; F96-I125 HydrophobicContact CE1-CD1 3.44Å; F96-I125 VanDerWaalsContact CE1-CD1 3.44Å; F96-I125 HydrophobicContact CG-CD1 4.48Å; F96-I125 HydrophobicContact CZ-CD1 4.02Å; F96-L146 HydrophobicContact CE2-CD1 4.41Å; F96-P161 HydrophobicContact CD2-CB 4.4Å; F96-F162 HydrophobicContact CD1-CB 3.83Å; F96-F162 HydrophobicContact CE1-CB 3.5Å; F96-F162 VanDerWaalsContact CE1-CB 3.5Å; F96-F162 HydrophobicContact CZ-CB 3.93Å; F96-T203 HydrophobicContact CZ-CG2 4.47Å
97D89.9Confident88.9Confident31 Ų3120 Ų2017%0.16613%0.126CC..Hα-helixtrans-62.7-43.4177.9-69.1-10.6000111.6R93 L99 N100 L101 L152R93-D97 IonicContact CZ-OD1 3.95Å; R93-D97 IonicContact CZ-OD2 3.71Å; R93-D97 IonicContact NE-OD1 3.75Å; R93-D97 PolarHBondContact NE-OD1 2.96Å; R93-D97 IonicContact NE-OD2 2.76Å; R93-D97 PolarHBondContact NE-OD2 2.93Å; R93-D97 IonicContact NH2-OD1 3.31Å; R93-D97 PolarHBondContact NH2-OD1 3.24Å; R93-D97 IonicContact NH2-OD2 2.71Å; R93-D97 PolarHBondContact NH2-OD2 2.87Å; R93-D97 VanDerWaalsContact O-CG 3.25Å; R93-D97 PolarHBondContact O-N 3.43Å; D97-L99 VanDerWaalsContact C-N 3.27Å; D97-L99 PolarHBondContact O-N 3.03Å; D97-N100 PolarHBondContact O-N 2.66Å; D97-L101 WeakPolarHBondContact O-CB 3.31Å; D97-L101 PolarHBondContact O-N 3.35Å; D97-L152 HydrophobicContact CB-CD2 4.33Å
98L89.6Confident88.8Confident3 Ų320.1 Ų20.12%0.01613%0.125CC..Hα-helixtrans-56.5-38.9175.2174.965.9000112.6M51 V53 V62 W66 T94 L474M51-L98 HydrophobicContact SD-CD2 3.94Å; M51-L98 HydrophobicContact SD-CG 4.36Å; V53-L98 HydrophobicContact CG2-CD2 4.13Å; V62-L98 HydrophobicContact CG1-CD2 3.97Å; V62-L98 HydrophobicContact CG2-CD2 4.25Å; W66-L98 WeakPolarHBondContact CZ2-O 3.34Å; W66-L98 PolarHBondContact NE1-O 3.47Å; W66-L98 VanDerWaalsContact NE1-O 3.09Å; T94-L98 WeakPolarHBondContact O-CB 3.44Å; T94-L98 PolarHBondContact O-N 2.88Å; L98-L474 HydrophobicContact CD1-CD2 3.65Å
99L90.9Very high88.6Confident3 Ų321 Ų212%0.01613%0.13CC..Hα-helixtrans-74.2-49.5176.6-69.4172.3000111.7I3 V5 W66 A95 F96 D97 L101 N102 R103 I125 Q166I3-L99 HydrophobicContact CG2-CD2 3.96Å; V5-L99 HydrophobicContact CG2-CD1 4.06Å; V5-L99 HydrophobicContact CG2-CD2 3.86Å; V5-L99 HydrophobicContact CG2-CG 4.17Å; W66-L99 HydrophobicContact CZ2-CD2 4.37Å; A95-L99 WeakPolarHBondContact O-CG 3.28Å; A95-L99 PolarHBondContact O-N 3.41Å; F96-L99 PolarHBondContact O-N 2.91Å; D97-L99 VanDerWaalsContact C-N 3.27Å; D97-L99 PolarHBondContact O-N 3.03Å; L99-L101 VanDerWaalsContact C-N 3.3Å; L99-L101 PolarHBondContact O-N 2.76Å; L99-N102 PolarHBondContact O-N 2.88Å; L99-R103 PolarHBondContact O-N 2.71Å; L99-I125 HydrophobicContact CD1-CD1 4.1Å; L99-I125 HydrophobicContact CD1-CG1 4.14Å; L99-Q166 HydrophobicContact CD1-CG 4.21Å
100N90.7Very high88.4Confident8 Ų821.7 Ų21.74%0.04313%0.132CC..Hα-helixtrans-62.1-35.8-177.8-71.3-26.6000113F96 D97 N102 R103 L104 L152 P161 R163 Q166F96-N100 WeakPolarHBondContact O-CB 3.44Å; F96-N100 PolarHBondContact O-N 3.36Å; F96-N100 PolarHBondContact O-ND2 3.01Å; D97-N100 PolarHBondContact O-N 2.66Å; N100-N102 VanDerWaalsContact C-N 3.3Å; N100-N102 PolarHBondContact O-N 3.26Å; N100-R103 WeakPolarHBondContact O-CB 3.34Å; N100-R103 PolarHBondContact O-N 2.88Å; N100-R103 VanDerWaalsContact O-N 3.13Å; N100-L104 PolarHBondContact O-N 2.92Å; N100-L104 VanDerWaalsContact O-N 3.14Å; N100-L152 HydrophobicContact CB-CD2 4.1Å; N100-P161 PolarHBondContact ND2-O 3.13Å; N100-R163 WeakPolarHBondContact OD1-CG 3.37Å; N100-R163 PolarHBondContact OD1-NE 3.18Å; N100-Q166 PolarHBondContact OD1-NE2 2.8Å
101L88.3Confident88.4Confident4 Ų418.4 Ų18.42%0.02112%0.116CC..Hα-helixtrans-56.9-42.1177.6-174.965.3000111.7D97 L99 V105 L152 A467 E470 L474D97-L101 WeakPolarHBondContact O-CB 3.31Å; D97-L101 PolarHBondContact O-N 3.35Å; L99-L101 VanDerWaalsContact C-N 3.3Å; L99-L101 PolarHBondContact O-N 2.76Å; L101-V105 WeakPolarHBondContact O-CG2 3.45Å; L101-V105 PolarHBondContact O-N 3.09Å; L101-L152 HydrophobicContact CB-CD1 4.48Å; L101-L152 HydrophobicContact CD1-CD1 3.56Å; L101-A467 HydrophobicContact CD1-CB 3.99Å; L101-A467 WeakPolarHBondContact CD1-O 3.33Å; L101-E470 HydrophobicContact CD1-CB 4.03Å; L101-E470 HydrophobicContact CD1-CG 4.02Å; L101-E470 HydrophobicContact CD2-CG 4.37Å; L101-L474 HydrophobicContact CD2-CB 4.49Å; L101-L474 HydrophobicContact CD2-CD2 3.86Å
102N88.1Confident88.2Confident26 Ų2618.3 Ų18.314%0.13912%0.115CC..Hα-helixtrans-72.7-30.7177.4-169.166.2000113.4W66 L99 N100 V105 S106 E121W66-N102 HydrophobicContact CD2-CB 4.24Å; W66-N102 HydrophobicContact CE3-CB 4.4Å; W66-N102 HydrophobicContact CH2-CB 3.38Å; W66-N102 WeakPolarHBondContact CH2-ND2 3.33Å; W66-N102 HydrophobicContact CZ2-CB 3.18Å; W66-N102 HydrophobicContact CZ3-CB 4Å; W66-N102 WeakPolarHBondContact CZ3-ND2 3.47Å; L99-N102 PolarHBondContact O-N 2.88Å; N100-N102 VanDerWaalsContact C-N 3.3Å; N100-N102 PolarHBondContact O-N 3.26Å; N102-V105 PolarHBondContact O-N 3.48Å; N102-S106 PolarHBondContact ND2-OG 2.92Å; N102-S106 VanDerWaalsContact O-CB 3.28Å; N102-S106 WeakPolarHBondContact O-CB 3.48Å; N102-S106 PolarHBondContact O-N 2.94Å; N102-S106 PolarHBondContact O-OG 3.12Å; N102-E121 PolarHBondContact ND2-OE1 3.33Å; N102-E121 PolarHBondContact ND2-OE2 3.15Å
103R89.1Confident88Confident2 Ų222.1 Ų22.11%0.00813%0.133CC..Hα-helixtrans-63.5-41175-61.217865.683.9-1.8112.1L99 N100 S106 G107 I108 D109 E121 D165L99-R103 PolarHBondContact O-N 2.71Å; N100-R103 WeakPolarHBondContact O-CB 3.34Å; N100-R103 PolarHBondContact O-N 2.88Å; N100-R103 VanDerWaalsContact O-N 3.13Å; R103-S106 PolarHBondContact O-N 2.95Å; R103-G107 PolarHBondContact O-N 3.04Å; R103-I108 PolarHBondContact O-N 3.18Å; R103-D109 WeakPolarHBondContact CB-OD2 3.48Å; R103-D109 IonicContact CZ-OD1 3.62Å; R103-D109 IonicContact CZ-OD2 2.82Å; R103-D109 IonicContact NE-OD1 2.72Å; R103-D109 PolarHBondContact NE-OD1 3.06Å; R103-D109 IonicContact NE-OD2 3.71Å; R103-D109 PolarHBondContact NE-OD2 2.89Å; R103-D109 IonicContact NH2-OD1 3.59Å; R103-D109 PolarHBondContact NH2-OD1 3.01Å; R103-D109 IonicContact NH2-OD2 3.49Å; R103-E121 WeakPolarHBondContact CG-OE2 3.38Å; R103-D165 IonicContact CZ-OD1 2.7Å; R103-D165 IonicContact CZ-OD2 3.35Å; R103-D165 IonicContact NH1-OD1 3.14Å; R103-D165 PolarHBondContact NH1-OD1 3.46Å; R103-D165 IonicContact NH1-OD2 2.66Å; R103-D165 PolarHBondContact NH1-OD2 3.09Å; R103-D165 IonicContact NH2-OD1 2.74Å; R103-D165 IonicContact NH2-OD2 3.56Å
104L87.1Confident87.9Confident19 Ų1921.3 Ų21.310%0.09913%0.13CC..Hα-helixtrans-67.4-35.8175.6-67.3175.1000112.6N100 Y111 A153 S464 A467N100-L104 PolarHBondContact O-N 2.92Å; N100-L104 VanDerWaalsContact O-N 3.14Å; L104-Y111 HydrophobicContact CD2-CE2 4.39Å; L104-A153 WeakPolarHBondContact CD1-O 3.38Å; L104-S464 WeakPolarHBondContact O-CB 3.45Å; L104-S464 PolarHBondContact O-OG 2.89Å; L104-A467 HydrophobicContact CB-CB 3.66Å; L104-A467 HydrophobicContact CD1-CB 4.25Å
105V87.1Confident88Confident45 Ų4520.8 Ų20.827%0.27313%0.125SC..Hα-helixtrans-70-39.5172.8174.50000111.9L101 N102 G107 A467 K468L101-V105 WeakPolarHBondContact O-CG2 3.45Å; L101-V105 PolarHBondContact O-N 3.09Å; N102-V105 PolarHBondContact O-N 3.48Å; V105-G107 VanDerWaalsContact C-N 3.32Å; V105-A467 HydrophobicContact CG2-CB 4.04Å; V105-K468 HydrophobicContact CG1-CG 4.43Å; V105-K468 HydrophobicContact CG2-CB 4.04Å
106S85.8Confident87.9Confident66 Ų6621.7 Ų21.746%0.46213%0.13SC..Hα-helixtrans-78.7-15.7-179.7-57.40000113.2N102 R103 I108N102-S106 PolarHBondContact ND2-OG 2.92Å; N102-S106 VanDerWaalsContact O-CB 3.28Å; N102-S106 WeakPolarHBondContact O-CB 3.48Å; N102-S106 PolarHBondContact O-N 2.94Å; N102-S106 PolarHBondContact O-OG 3.12Å; R103-S106 PolarHBondContact O-N 2.95Å; S106-I108 VanDerWaalsContact C-N 3.32Å
107G83.3Confident87.7Confident51 Ų5121.9 Ų21.953%0.52613%0.132SC..THydrogen-bonded Turntrans70.924.6-179.500000114.1R103 V105R103-G107 PolarHBondContact O-N 3.04Å; V105-G107 VanDerWaalsContact C-N 3.32Å
108I86.3Confident87.6Confident29 Ų2921.6 Ų21.615%0.14913%0.129CC..  trans-69.7-40.5-175.5-66.5173.6000110.9R103 S106 N110 F119 E121R103-I108 PolarHBondContact O-N 3.18Å; S106-I108 VanDerWaalsContact C-N 3.32Å; I108-N110 PolarHBondContact O-N 2.92Å; I108-N110 VanDerWaalsContact O-N 3.1Å; I108-F119 HydrophobicContact CG2-CB 4.12Å; I108-F119 WeakPolarHBondContact CG2-O 3.15Å; I108-E121 HydrophobicContact CD1-CB 3.9Å
109D84.9Confident87.6Confident24 Ų2426.2 Ų26.213%0.12815%0.149CC..SBendtrans-81.188.8178.5-66.9-49.7000111.1R103 Y111R103-D109 WeakPolarHBondContact CB-OD2 3.48Å; R103-D109 IonicContact CZ-OD1 3.62Å; R103-D109 IonicContact CZ-OD2 2.82Å; R103-D109 IonicContact NE-OD1 2.72Å; R103-D109 PolarHBondContact NE-OD1 3.06Å; R103-D109 IonicContact NE-OD2 3.71Å; R103-D109 PolarHBondContact NE-OD2 2.89Å; R103-D109 IonicContact NH2-OD1 3.59Å; R103-D109 PolarHBondContact NH2-OD1 3.01Å; R103-D109 IonicContact NH2-OD2 3.49Å; D109-Y111 VanDerWaalsContact C-N 3.34Å; D109-Y111 HydrophobicContact CB-CD2 4.27Å; D109-Y111 HydrophobicContact CB-CE2 3.66Å; D109-Y111 WeakPolarHBondContact O-CD2 3.36Å; D109-Y111 PolarHBondContact O-N 3.24Å
110N84.1Confident87.3Confident23 Ų2327.6 Ų27.612%0.12316%0.156CC..  trans-80.269.8-176.565.5-41.5000112.6I108 G112 Q113 G114 N116 R305I108-N110 PolarHBondContact O-N 2.92Å; I108-N110 VanDerWaalsContact O-N 3.1Å; N110-G112 PolarHBondContact O-N 3.37Å; N110-Q113 HydrophobicContact CB-CB 4.31Å; N110-Q113 PolarHBondContact ND2-O 2.95Å; N110-Q113 PolarHBondContact O-N 3.37Å; N110-Q113 VanDerWaalsContact O-N 3.11Å; N110-G114 PolarHBondContact ND2-O 3.08Å; N110-G114 PolarHBondContact OD1-O 3.34Å; N110-N116 PolarHBondContact ND2-ND2 2.83Å; N110-R305 PolarHBondContact O-NH2 2.87Å
111Y87.8Confident87.2Confident9 Ų928.2 Ų28.24%0.03516%0.159CC..THydrogen-bonded Turntrans-53.2126.7-177.6-65.2-79.2000113.5L104 D109 Q113 L157 T158 R163 R305 L460L104-Y111 HydrophobicContact CD2-CE2 4.39Å; D109-Y111 VanDerWaalsContact C-N 3.34Å; D109-Y111 HydrophobicContact CB-CD2 4.27Å; D109-Y111 HydrophobicContact CB-CE2 3.66Å; D109-Y111 WeakPolarHBondContact O-CD2 3.36Å; D109-Y111 PolarHBondContact O-N 3.24Å; Y111-Q113 VanDerWaalsContact C-N 3.32Å; Y111-Q113 PolarHBondContact O-N 2.83Å; Y111-L157 HydrophobicContact CD1-CB 3.92Å; Y111-L157 HydrophobicContact CD1-CD1 4.33Å; Y111-L157 HydrophobicContact CD2-CD1 3.77Å; Y111-L157 HydrophobicContact CE1-CB 3.56Å; Y111-L157 HydrophobicContact CE1-CD1 4.44Å; Y111-L157 HydrophobicContact CE2-CB 4.31Å; Y111-L157 HydrophobicContact CE2-CD1 3.88Å; Y111-L157 HydrophobicContact CG-CB 4.43Å; Y111-L157 HydrophobicContact CG-CD1 4Å; Y111-T158 PolarHBondContact OH-OG1 3.08Å; Y111-T158 VanDerWaalsContact OH-OG1 3.06Å; Y111-R163 PolarHBondContact OH-NH1 3.32Å; Y111-R163 PolarHBondContact OH-NH2 2.95Å; Y111-R305 HydrophobicContact CD1-CG 4.39Å; Y111-L460 HydrophobicContact CD2-CD2 3.97Å; Y111-L460 HydrophobicContact CG-CD2 4.34Å
112G84.8Confident87.2Confident1 Ų128.2 Ų28.21%0.0116%0.159CC..THydrogen-bonded Turntrans78.72.4-179.600000116.1N110 Y426N110-G112 PolarHBondContact O-N 3.37Å; G112-Y426 WeakPolarHBondContact O-CD1 3.26Å
113Q87.1Confident87.4Confident80 Ų8027 Ų2737%0.37415%0.153SC..SBendtrans-113.927.2-178.7-59.8-171.3-44.200113.8N110 Y111 Y426 L452N110-Q113 HydrophobicContact CB-CB 4.31Å; N110-Q113 PolarHBondContact ND2-O 2.95Å; N110-Q113 PolarHBondContact O-N 3.37Å; N110-Q113 VanDerWaalsContact O-N 3.11Å; Y111-Q113 VanDerWaalsContact C-N 3.32Å; Y111-Q113 PolarHBondContact O-N 2.83Å; Q113-Y426 VanDerWaalsContact C-CD2 3.46Å; Q113-L452 HydrophobicContact CG-CD1 3.77Å
114G88.6Confident87.7Confident0 Ų027 Ų270%015%0.153CC..  trans72.9171.5-16900000112.1N110 E291 R305N110-G114 PolarHBondContact ND2-O 3.08Å; N110-G114 PolarHBondContact OD1-O 3.34Å; G114-E291 WeakPolarHBondContact CA-OE1 3.37Å; G114-E291 PolarHBondContact N-OE1 3.32Å; G114-R305 PolarHBondContact O-NH2 2.98Å
115R90.2Very high88.1Confident12 Ų1226.1 Ų26.15%0.04515%0.148CC..BIsolated β-bridgetrans-105.4121.9177-51.8-174.8-174.6-154.65.8110.1P117 W164 P288 I289 E291 S306 A307R115-P117 WeakPolarHBondContact O-CD 3.47Å; R115-W164 HydrophobicContact CB-CH2 3.66Å; R115-W164 HydrophobicContact CB-CZ2 4.42Å; R115-W164 HydrophobicContact CB-CZ3 3.77Å; R115-P288 CarbonylContact O-C 3.57Å; R115-P288 WeakPolarHBondContact O-CA 3.46Å; R115-I289 HydrophobicContact CB-CB 4.45Å; R115-I289 PolarHBondContact N-O 3.06Å; R115-I289 PolarHBondContact O-N 2.85Å; R115-E291 WeakPolarHBondContact CG-OE1 3.44Å; R115-E291 PolarHBondContact N-OE1 3.38Å; R115-S306 VanDerWaalsContact CZ-O 3.25Å; R115-S306 PolarHBondContact NH1-O 3.46Å; R115-S306 PolarHBondContact NH2-O 3.3Å; R115-S306 PolarHBondContact NH2-OG 3.26Å; R115-A307 PolarHBondContact NH1-O 3.01Å
116N90.5Very high88.5Confident20 Ų2024 Ų2411%0.10714%0.135CC..  trans-97107.4-176.5-72.9-47.6000111.7N110 F118 F119 W164 P288N110-N116 PolarHBondContact ND2-ND2 2.83Å; N116-F118 HydrophobicContact CB-CD1 4.36Å; N116-F118 HydrophobicContact CB-CD2 4.32Å; N116-F118 HydrophobicContact CB-CE1 3.91Å; N116-F118 HydrophobicContact CB-CE2 3.86Å; N116-F118 HydrophobicContact CB-CZ 3.65Å; N116-F118 VanDerWaalsContact CG-CZ 3.46Å; N116-F118 PolarHBondContact O-N 3.32Å; N116-F118 VanDerWaalsContact O-N 3.08Å; N116-F118 WeakPolarHBondContact OD1-CZ 3.4Å; N116-F119 HydrophobicContact CB-CB 4.28Å; N116-F119 HydrophobicContact CB-CD2 3.62Å; N116-F119 HydrophobicContact CB-CE2 4.14Å; N116-F119 HydrophobicContact CB-CG 3.98Å; N116-F119 WeakPolarHBondContact ND2-CE2 3.48Å; N116-F119 PolarHBondContact O-N 3.33Å; N116-W164 WeakPolarHBondContact O-CZ2 3.29Å; N116-P288 WeakPolarHBondContact OD1-CB 3.47Å
117P88.5Confident88.9Confident4 Ų420.9 Ų20.93%0.02611%0.113CC..THydrogen-bonded Turntrans-65.4-17.5-176.4-21.234.5000113.9R115 L120 W164 V231 V274 I289 Y331R115-P117 WeakPolarHBondContact O-CD 3.47Å; P117-L120 WeakPolarHBondContact O-CD1 3.26Å; P117-L120 VanDerWaalsContact O-CG 3.24Å; P117-L120 WeakPolarHBondContact O-CG 3.18Å; P117-W164 HydrophobicContact CB-CH2 4.33Å; P117-W164 HydrophobicContact CG-CH2 4.18Å; P117-V231 HydrophobicContact CB-CG2 4.5Å; P117-V274 HydrophobicContact CB-CG2 4.39Å; P117-I289 HydrophobicContact CG-CD1 3.8Å; P117-I289 HydrophobicContact CG-CG1 3.88Å; P117-Y331 HydrophobicContact CB-CE2 4.23Å; P117-Y331 HydrophobicContact CG-CE2 4.2Å
118F87.8Confident89.5Confident25 Ų2518.5 Ų18.511%0.119%0.089CC..THydrogen-bonded Turntrans-87.9-5.1178.150.9-90.8000113.9N116 L120 P283 G285N116-F118 HydrophobicContact CB-CD1 4.36Å; N116-F118 HydrophobicContact CB-CD2 4.32Å; N116-F118 HydrophobicContact CB-CE1 3.91Å; N116-F118 HydrophobicContact CB-CE2 3.86Å; N116-F118 HydrophobicContact CB-CZ 3.65Å; N116-F118 VanDerWaalsContact CG-CZ 3.46Å; N116-F118 PolarHBondContact O-N 3.32Å; N116-F118 VanDerWaalsContact O-N 3.08Å; N116-F118 WeakPolarHBondContact OD1-CZ 3.4Å; F118-L120 PolarHBondContact O-N 3.36Å; F118-P283 HydrophobicContact CB-CB 4.22Å; F118-P283 WeakPolarHBondContact O-CG 3.29Å; F118-G285 VanDerWaalsContact CD1-CA 3.4Å
119F88.4Confident89.8Confident100 Ų10017.3 Ų17.344%0.4398%0.083SC..SBendtrans-96.480.2168.7-66.1-20.9000109.2I108 N116I108-F119 HydrophobicContact CG2-CB 4.12Å; I108-F119 WeakPolarHBondContact CG2-O 3.15Å; N116-F119 HydrophobicContact CB-CB 4.28Å; N116-F119 HydrophobicContact CB-CD2 3.62Å; N116-F119 HydrophobicContact CB-CE2 4.14Å; N116-F119 HydrophobicContact CB-CG 3.98Å; N116-F119 WeakPolarHBondContact ND2-CE2 3.48Å; N116-F119 PolarHBondContact O-N 3.33Å
120L85.9Confident90Very high32 Ų3216.2 Ų16.217%0.1688%0.077CC..  trans-104.3142.5-178.6-48.698.4000112.8P117 F118 P122 V231 V274 P283P117-L120 WeakPolarHBondContact O-CD1 3.26Å; P117-L120 VanDerWaalsContact O-CG 3.24Å; P117-L120 WeakPolarHBondContact O-CG 3.18Å; F118-L120 PolarHBondContact O-N 3.36Å; L120-P122 HydrophobicContact CB-CG 4.48Å; L120-V231 HydrophobicContact CD2-CG2 3.71Å; L120-V231 HydrophobicContact CG-CG2 4.27Å; L120-V274 HydrophobicContact CD1-CB 3.92Å; L120-V274 HydrophobicContact CD1-CG1 3.72Å; L120-V274 HydrophobicContact CD2-CB 3.97Å; L120-V274 HydrophobicContact CD2-CG2 4.16Å; L120-P283 HydrophobicContact CD1-CB 4.06Å; L120-P283 HydrophobicContact CD1-CG 3.61Å
121E88.1Confident89.8Confident20 Ų2015.8 Ų15.89%0.0938%0.078CC..  trans-123.772.2158.9-174.6162.8-148.700107.9I3 W66 N102 R103 I108 S123 D165I3-E121 HydrophobicContact CD1-CG 3.58Å; I3-E121 WeakPolarHBondContact CD1-OE1 3.33Å; W66-E121 VanDerWaalsContact CH2-OE1 3.26Å; W66-E121 WeakPolarHBondContact CH2-OE1 3.43Å; W66-E121 WeakPolarHBondContact CZ3-OE1 3.41Å; N102-E121 PolarHBondContact ND2-OE1 3.33Å; N102-E121 PolarHBondContact ND2-OE2 3.15Å; R103-E121 WeakPolarHBondContact CG-OE2 3.38Å; I108-E121 HydrophobicContact CD1-CB 3.9Å; E121-S123 PolarHBondContact O-N 3.22Å; E121-S123 VanDerWaalsContact O-N 3.11Å; E121-S123 PolarHBondContact O-OG 2.86Å; E121-D165 PolarHBondContact N-OD2 3.47Å
122P88.9Confident89.5Confident5 Ų519.3 Ų19.33%0.03210%0.097CC..  trans-65.7118.6-165.824.8-29.5000109.6P2 I3 L120P2-P122 CarbonylContact C-O 3.59Å; P2-P122 WeakPolarHBondContact CA-O 3.38Å; P2-P122 HydrophobicContact CB-CG 4.31Å; I3-P122 PolarHBondContact N-O 3.06Å; L120-P122 HydrophobicContact CB-CG 4.48Å
123S92.3Very high89.4Confident1 Ų125.4 Ų25.41%0.00712%0.124CC..EExtended strand (participates in β ladder)trans-125.3136.7-170.822.50000110.9I3 E121 D165 Q166 R167I3-S123 CarbonylContact O-C 3.51Å; I3-S123 VanDerWaalsContact O-CA 3.29Å; I3-S123 WeakPolarHBondContact O-CA 3.4Å; E121-S123 PolarHBondContact O-N 3.22Å; E121-S123 VanDerWaalsContact O-N 3.11Å; E121-S123 PolarHBondContact O-OG 2.86Å; S123-D165 PolarHBondContact N-O 3.24Å; S123-Q166 WeakPolarHBondContact O-CA 3.4Å; S123-Q166 WeakPolarHBondContact OG-CG 3.49Å; S123-R167 PolarHBondContact O-N 2.65Å
124V94Very high89.2Confident1 Ų122.6 Ų22.61%0.00611%0.111CC..EExtended strand (participates in β ladder)trans-127.1115.8-177.9-176.90000108I3 L4 V5 I126 R167 F169 V227I3-V124 PolarHBondContact O-N 3.17Å; L4-V124 WeakPolarHBondContact CA-O 3.49Å; V5-V124 PolarHBondContact N-O 3.45Å; V124-I126 HydrophobicContact CG1-CG1 4.09Å; V124-R167 WeakPolarHBondContact CA-O 3.27Å; V124-F169 HydrophobicContact CG1-CD2 3.58Å; V124-F169 HydrophobicContact CG1-CE2 3.79Å; V124-V227 HydrophobicContact CG1-CG2 4.45Å; V124-V227 HydrophobicContact CG2-CG1 4.17Å; V124-V227 HydrophobicContact CG2-CG2 4.36Å
125I95.7Very high88.9Confident0 Ų024.4 Ų24.40%012%0.122CC..EExtended strand (participates in β ladder)trans-93122.7173.2-52.8179.8000107.2V5 L7 A95 F96 L99 R167 L168 F169V5-I125 HydrophobicContact CB-CG1 4.29Å; V5-I125 CarbonylContact O-C 3.53Å; V5-I125 WeakPolarHBondContact O-CA 3.36Å; L7-I125 HydrophobicContact CB-CG2 4.13Å; A95-I125 HydrophobicContact CB-CD1 4.29Å; F96-I125 HydrophobicContact CD1-CD1 3.72Å; F96-I125 HydrophobicContact CE1-CD1 3.44Å; F96-I125 VanDerWaalsContact CE1-CD1 3.44Å; F96-I125 HydrophobicContact CG-CD1 4.48Å; F96-I125 HydrophobicContact CZ-CD1 4.02Å; L99-I125 HydrophobicContact CD1-CD1 4.1Å; L99-I125 HydrophobicContact CD1-CG1 4.14Å; I125-R167 PolarHBondContact N-O 3.45Å; I125-L168 HydrophobicContact CB-CD1 3.71Å; I125-L168 HydrophobicContact CG2-CD1 3.57Å; I125-F169 PolarHBondContact O-N 2.74Å
126I95.9Very high88.5Confident1 Ų127.8 Ų27.81%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-109.8101.4175.8-56.9171.2000106.4L4 V5 F6 L7 F35 V124 I128 F169 L171 L223L4-I126 HydrophobicContact CD2-CD1 4.44Å; V5-I126 PolarHBondContact O-N 3.04Å; F6-I126 HydrophobicContact CD1-CB 3.95Å; F6-I126 HydrophobicContact CD1-CD1 4.25Å; F6-I126 HydrophobicContact CD1-CG2 4.22Å; F6-I126 HydrophobicContact CE1-CB 4.16Å; F6-I126 HydrophobicContact CE1-CD1 3.62Å; F6-I126 HydrophobicContact CE1-CG1 4.45Å; F6-I126 HydrophobicContact CE1-CG2 4.3Å; F6-I126 HydrophobicContact CZ-CD1 4.14Å; L7-I126 PolarHBondContact N-O 3.23Å; F35-I126 HydrophobicContact CD2-CD1 4.38Å; F35-I126 HydrophobicContact CE1-CD1 4.26Å; F35-I126 HydrophobicContact CE2-CD1 3.94Å; F35-I126 HydrophobicContact CZ-CD1 3.88Å; V124-I126 HydrophobicContact CG1-CG1 4.09Å; I126-I128 HydrophobicContact CG2-CG1 4.42Å; I126-F169 WeakPolarHBondContact CA-O 3.31Å; I126-L171 HydrophobicContact CG2-CD1 4.15Å; I126-L171 HydrophobicContact CG2-CG 4.47Å; I126-L223 HydrophobicContact CD1-CD2 3.76Å; I126-L223 HydrophobicContact CD1-CG 4.4Å; I126-L223 HydrophobicContact CG1-CD2 4.01Å; I126-L223 HydrophobicContact CG2-CD2 3.95Å
127T95Very high88Confident0 Ų031.8 Ų31.80%017%0.171CC..EExtended strand (participates in β ladder)trans-87.4128.4175.5-60.50000109.9L7 L88 T129 L168 F169 A170 L171 I196L7-T127 HydrophobicContact CD2-CG2 3.91Å; L7-T127 WeakPolarHBondContact CD2-OG1 3.36Å; L7-T127 CarbonylContact O-C 3.56Å; L7-T127 VanDerWaalsContact O-CA 3.29Å; L7-T127 WeakPolarHBondContact O-CA 3.23Å; L88-T127 HydrophobicContact CD1-CG2 3.97Å; T127-T129 HydrophobicContact CG2-CG2 4.25Å; T127-L168 WeakPolarHBondContact OG1-CD1 3.23Å; T127-F169 PolarHBondContact N-O 2.88Å; T127-A170 CarbonylContact O-C 3.55Å; T127-A170 WeakPolarHBondContact O-CA 3.38Å; T127-L171 PolarHBondContact O-N 3.16Å; T127-I196 HydrophobicContact CG2-CD1 3.56Å
128I94.9Very high87.6Confident2 Ų237.7 Ų37.71%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-117.7121.5170.7-44.8-171.4000108L7 L8 D9 A28 A31 V32 I126 L171 L173L7-I128 PolarHBondContact O-N 3.42Å; L8-I128 HydrophobicContact CD2-CB 3.75Å; L8-I128 HydrophobicContact CD2-CD1 3.65Å; L8-I128 HydrophobicContact CD2-CG1 3.64Å; D9-I128 WeakPolarHBondContact CB-O 3.32Å; D9-I128 PolarHBondContact N-O 3.13Å; A28-I128 HydrophobicContact CB-CB 4.29Å; A28-I128 HydrophobicContact CB-CD1 4.35Å; A28-I128 HydrophobicContact CB-CG2 3.7Å; A31-I128 HydrophobicContact CB-CD1 4.25Å; V32-I128 HydrophobicContact CG2-CD1 3.98Å; I126-I128 HydrophobicContact CG2-CG1 4.42Å; I128-L171 WeakPolarHBondContact CA-O 3.27Å; I128-L171 HydrophobicContact CD1-CD1 4.06Å; I128-L171 HydrophobicContact CG1-CB 4.25Å; I128-L171 HydrophobicContact CG1-CD1 4.14Å; I128-L171 HydrophobicContact CG2-CB 4.32Å; I128-L173 HydrophobicContact CG2-CD1 3.86Å; I128-L173 HydrophobicContact CG2-CD2 4.37Å; I128-L173 HydrophobicContact CG2-CG 3.97Å
129T92.5Very high87.4Confident4 Ų438.3 Ų38.33%0.02523%0.226CC..EExtended strand (participates in β ladder)trans-148.3165.2-176179.40000109.5D9 T127 G131 L171 V172 L173D9-T129 WeakPolarHBondContact OD2-CB 3.16Å; D9-T129 PolarHBondContact OD2-OG1 3.14Å; T127-T129 HydrophobicContact CG2-CG2 4.25Å; T129-G131 VanDerWaalsContact C-N 3.29Å; T129-G131 PolarHBondContact OG1-N 3.2Å; T129-L171 PolarHBondContact N-O 3.37Å; T129-V172 HydrophobicContact CG2-CG2 4.32Å; T129-V172 WeakPolarHBondContact O-CA 3.35Å; T129-L173 PolarHBondContact O-N 3.35Å
130D89.4Confident87.3Confident1 Ų137.9 Ų37.91%0.00523%0.231CC..  trans-76.8-17.3172.667.40.1000113S13 M14 Q16 Y24 N132 V172S13-D130 WeakPolarHBondContact CB-OD2 3.48Å; S13-D130 PolarHBondContact OG-OD2 3.43Å; M14-D130 HydrophobicContact SD-CB 4.01Å; Q16-D130 PolarHBondContact NE2-OD2 2.98Å; Y24-D130 HydrophobicContact CD2-CB 3.8Å; Y24-D130 HydrophobicContact CE2-CB 3.94Å; D130-N132 PolarHBondContact O-N 3.25Å; D130-N132 WeakPolarHBondContact OD1-CB 3.34Å; D130-N132 PolarHBondContact OD1-N 3.02Å; D130-N132 PolarHBondContact OD2-ND2 3.25Å; D130-V172 WeakPolarHBondContact O-CG1 3.25Å
131G80Confident87Confident14 Ų1438.2 Ų38.214%0.14424%0.235CC..  trans60.929.5-176.800000113.1T129 R174 S194T129-G131 VanDerWaalsContact C-N 3.29Å; T129-G131 PolarHBondContact OG1-N 3.2Å; G131-R174 PolarHBondContact O-NH2 3.3Å; G131-S194 PolarHBondContact O-OG 2.89Å
132N80.9Confident86.3Confident82 Ų8242.7 Ų42.744%0.43926%0.26SS..  trans-83.6-168.3168.8-73.3-41.8000110.4D130 L134D130-N132 PolarHBondContact O-N 3.25Å; D130-N132 WeakPolarHBondContact OD1-CB 3.34Å; D130-N132 PolarHBondContact OD1-N 3.02Å; D130-N132 PolarHBondContact OD2-ND2 3.25Å; N132-L134 PolarHBondContact O-N 3.44Å
133K81.9Confident85.7Confident129 Ų12948.8 Ų48.856%0.56129%0.288SS*.  trans-61.9134.2178.5-69.2-65.3-172.1176.70111.5T86 V140 D142T86-K133 PolarHBondContact OG1-O 2.81Å; K133-V140 HydrophobicContact CB-CG1 3.71Å; K133-V140 HydrophobicContact CD-CG1 4.29Å; K133-V140 HydrophobicContact CG-CG1 4.21Å; K133-D142 IonicContact NZ-OD1 2.62Å; K133-D142 PolarHBondContact NZ-OD1 2.9Å
134L83.1Confident85.1Confident21 Ų2149.9 Ų49.911%0.1129%0.293CS..  trans-74.2142.5175.6-60.1177.7000109.7T86 L88 N132 V140 P141 L144 A195T86-L134 WeakPolarHBondContact OG1-CA 3.25Å; L88-L134 HydrophobicContact CB-CD2 3.84Å; L88-L134 HydrophobicContact CD2-CD2 3.91Å; N132-L134 PolarHBondContact O-N 3.44Å; L134-V140 WeakPolarHBondContact O-CA 2.98Å; L134-V140 WeakPolarHBondContact O-CG1 3.48Å; L134-P141 HydrophobicContact CB-CG 4.05Å; L134-P141 VanDerWaalsContact O-CD 3.27Å; L134-P141 WeakPolarHBondContact O-CD 3.08Å; L134-L144 HydrophobicContact CD1-CB 4.03Å; L134-L144 HydrophobicContact CD1-CD1 3.89Å; L134-A195 HydrophobicContact CD1-CB 4.48Å
135T83.1Confident84.4Confident39 Ų3956.3 Ų56.324%0.23932%0.323CS..  trans-130.5126.9-178.168.90000110.5T86 V140T86-T135 CarbonylContact C-O 3.51Å; T86-T135 PolarHBondContact N-OG1 3.14Å; T86-T135 PolarHBondContact OG1-N 3.29Å; T86-T135 PolarHBondContact OG1-OG1 2.84Å; T135-V140 HydrophobicContact CG2-CG2 4.41Å
136N80.8Confident83.6Confident82 Ų8257.4 Ų57.444%0.43933%0.329SS..BIsolated β-bridgetrans-112.1167.1168.5-70.6-26000109.3S138 G139N136-S138 PolarHBondContact O-N 2.92Å; N136-G139 PolarHBondContact N-O 3.2Å; N136-G139 PolarHBondContact O-N 2.81Å; N136-G139 VanDerWaalsContact O-O 3.09Å
137S79.9Confident82.3Confident104 Ų10459.4 Ų59.473%0.72734%0.342SS*.THydrogen-bonded Turntrans-57.8-17.4179-41.40000114.5
138S81.4Confident80.8Confident129 Ų12966.5 Ų66.590%0.90238%0.379SS*.THydrogen-bonded Turntrans-100-6.8178.4-46.50000114.7N136N136-S138 PolarHBondContact O-N 2.92Å
139G84.3Confident79.1Confident38 Ų3872.8 Ų72.839%0.39241%0.412SS..BIsolated β-bridgetrans142.2-163.1-176.200000114.7N136 P141N136-G139 PolarHBondContact N-O 3.2Å; N136-G139 PolarHBondContact O-N 2.81Å; N136-G139 VanDerWaalsContact O-O 3.09Å; G139-P141 WeakPolarHBondContact O-CD 3.4Å
140V85.1Confident77.7Confident91 Ų9174 Ų7455%0.55242%0.422SS*.  trans-105.698.5-171.9-178.10000110.4K133 L134 T135K133-V140 HydrophobicContact CB-CG1 3.71Å; K133-V140 HydrophobicContact CD-CG1 4.29Å; K133-V140 HydrophobicContact CG-CG1 4.21Å; L134-V140 WeakPolarHBondContact O-CA 2.98Å; L134-V140 WeakPolarHBondContact O-CG1 3.48Å; T135-V140 HydrophobicContact CG2-CG2 4.41Å
141P80.1Confident76.6Confident38 Ų3879.2 Ų79.225%0.24746%0.455CS..  trans-73.3138.6170.328.5-36.5000112.7L134 G139L134-P141 HydrophobicContact CB-CG 4.05Å; L134-P141 VanDerWaalsContact O-CD 3.27Å; L134-P141 WeakPolarHBondContact O-CD 3.08Å; G139-P141 WeakPolarHBondContact O-CD 3.4Å
142D72.8Confident76.3Confident114 Ų11479 Ų7961%0.6145%0.45SS*.SBendtrans-83.2-24.3170.4-74-47.3000113.2K133K133-D142 IonicContact NZ-OD1 2.62Å; K133-D142 PolarHBondContact NZ-OD1 2.9Å
143E77.5Confident75.9Confident133 Ų13376.5 Ų76.562%0.62144%0.441SS*.SBendtrans-109.4139.2-179.2-67.5-172.5169.100113H145E143-H145 PolarHBondContact O-N 2.78Å; E143-H145 IonicContact OE2-CD2 2.82Å; E143-H145 IonicContact OE2-CE1 3.25Å; E143-H145 IonicContact OE2-NE2 2.79Å; E143-H145 PolarHBondContact OE2-NE2 3.05Å
144L79.6Confident75.6Confident24 Ų2470.4 Ų70.413%0.12642%0.415CS..  trans-85.683.9177.1-179.661.9000111.3L88 L92 L134 A195 I196L88-L144 HydrophobicContact CB-CD1 4.22Å; L88-L144 HydrophobicContact CD2-CD1 3.94Å; L88-L144 HydrophobicContact CD2-CD2 3.8Å; L88-L144 HydrophobicContact CG-CD1 3.95Å; L88-L144 HydrophobicContact CG-CD2 4.35Å; L92-L144 HydrophobicContact CD1-CD2 4.13Å; L134-L144 HydrophobicContact CD1-CB 4.03Å; L134-L144 HydrophobicContact CD1-CD1 3.89Å; L144-A195 HydrophobicContact CB-CB 3.82Å; L144-I196 HydrophobicContact CD2-CB 4.45Å
145H78.4Confident75.4Confident137 Ų13771.4 Ų71.463%0.63442%0.424SS*.PPolyproline II helixtrans-87.4126.5170.1-72.1-79.4000111.4E143E143-H145 PolarHBondContact O-N 2.78Å; E143-H145 IonicContact OE2-CD2 2.82Å; E143-H145 IonicContact OE2-CE1 3.25Å; E143-H145 IonicContact OE2-NE2 2.79Å; E143-H145 PolarHBondContact OE2-NE2 3.05Å
146L78.3Confident75.5Confident23 Ų2373.8 Ų73.812%0.1243%0.433CS..PPolyproline II helixtrans-80.6129170.9-63.5178.2000109.2G89 L92 F96 L148 P161 M199G89-L146 VanDerWaalsContact O-CD2 3.23Å; G89-L146 WeakPolarHBondContact O-CD2 3.4Å; L92-L146 HydrophobicContact CB-CD2 3.98Å; L92-L146 HydrophobicContact CD1-CD2 4.34Å; F96-L146 HydrophobicContact CE2-CD1 4.41Å; L146-L148 PolarHBondContact O-N 3.27Å; L146-L148 VanDerWaalsContact O-N 3.11Å; L146-P161 HydrophobicContact CD1-CG 3.57Å; L146-M199 HydrophobicContact CD1-CE 3.61Å; L146-M199 HydrophobicContact CD1-SD 3.93Å; L146-M199 HydrophobicContact CG-CE 3.89Å
147P68.4Low75.7Confident42 Ų4270.4 Ų70.427%0.27341%0.414SS..PPolyproline II helixtrans-62.6116.8177.323.1-31.2000110.6R93 N149R93-P147 HydrophobicContact CB-CG 4.44Å; R93-P147 HydrophobicContact CG-CG 4.36Å; R93-P147 PolarHBondContact NH1-O 3.05Å; P147-N149 WeakPolarHBondContact CB-OD1 3.47Å
148L64.1Low76.2Confident149 Ų14966 Ų6678%0.7838%0.383SS*.  trans-80.4-13.8-174.4-64.3176000113.6L146 S150L146-L148 PolarHBondContact O-N 3.27Å; L146-L148 VanDerWaalsContact O-N 3.11Å; L148-S150 PolarHBondContact O-N 3.48Å
149N60.7Low76.5Confident134 Ų13466.9 Ų66.972%0.71737%0.371SS*.  trans-74.973.2177.559-25.2000111.5P147P147-N149 WeakPolarHBondContact CB-OD1 3.47Å
150S61.8Low76.7Confident31 Ų3168 Ų6822%0.21737%0.366CS..  trans-65.9127.7175.4-1770000113.1R93 L148 L152 S155R93-S150 VanDerWaalsContact NH2-CA 3.28Å; R93-S150 PolarHBondContact NH2-OG 3.3Å; L148-S150 PolarHBondContact O-N 3.48Å; S150-L152 VanDerWaalsContact C-N 3.31Å; S150-L152 WeakPolarHBondContact OG-CB 3.25Å; S150-L152 PolarHBondContact OG-N 3.31Å; S150-L152 PolarHBondContact OG-O 3.48Å; S150-S155 WeakPolarHBondContact CB-OG 3.44Å; S150-S155 WeakPolarHBondContact OG-CB 3.35Å; S150-S155 PolarHBondContact OG-OG 3.23Å
151P66Low76.8Confident109 Ų10965 Ų6571%0.70835%0.348SS*.  trans-79.5-15.116433.8-34.3000112.6A153P151-A153 PolarHBondContact O-N 3.13Å
152L73.4Confident77.4Confident9 Ų963.5 Ų63.55%0.04734%0.338CS..SBendtrans-73.4118.5-174.6-178.263.8000111.1D97 N100 L101 S150 G154 S155D97-L152 HydrophobicContact CB-CD2 4.33Å; N100-L152 HydrophobicContact CB-CD2 4.1Å; L101-L152 HydrophobicContact CB-CD1 4.48Å; L101-L152 HydrophobicContact CD1-CD1 3.56Å; S150-L152 VanDerWaalsContact C-N 3.31Å; S150-L152 WeakPolarHBondContact OG-CB 3.25Å; S150-L152 PolarHBondContact OG-N 3.31Å; S150-L152 PolarHBondContact OG-O 3.48Å; L152-G154 PolarHBondContact O-N 2.91Å; L152-S155 WeakPolarHBondContact O-CB 3.4Å; L152-S155 PolarHBondContact O-N 3.35Å; L152-S155 PolarHBondContact O-OG 3.16Å
153A72.5Confident78.3Confident30 Ų3059 Ų5925%0.24831%0.312CS..THydrogen-bonded Turntrans-63.7131.9178.900000111.7L104 P151 L463 Q466L104-A153 WeakPolarHBondContact CD1-O 3.38Å; P151-A153 PolarHBondContact O-N 3.13Å; A153-L463 HydrophobicContact CB-CD2 3.74Å; A153-Q466 HydrophobicContact CB-CG 4.2Å
154G75.8Confident78.9Confident1 Ų153.4 Ų53.41%0.0129%0.285CS..THydrogen-bonded Turntrans96.8-3.9-176.400000114L152 E156 L157L152-G154 PolarHBondContact O-N 2.91Å; G154-E156 VanDerWaalsContact C-OE2 3.28Å; G154-E156 VanDerWaalsContact CA-OE1 3.28Å; G154-E156 WeakPolarHBondContact CA-OE1 3.48Å; G154-E156 VanDerWaalsContact CA-OE2 3.23Å; G154-E156 WeakPolarHBondContact CA-OE2 3.48Å; G154-E156 PolarHBondContact N-OE2 2.92Å; G154-E156 PolarHBondContact O-N 2.84Å; G154-L157 PolarHBondContact O-N 2.94Å
155S79.5Confident79.5Confident42 Ų4252.3 Ų52.329%0.29428%0.28SS..G310 helixtrans-62.4-30174.4540000112.4S150 L152 L157 T158S150-S155 WeakPolarHBondContact CB-OG 3.44Å; S150-S155 WeakPolarHBondContact OG-CB 3.35Å; S150-S155 PolarHBondContact OG-OG 3.23Å; L152-S155 WeakPolarHBondContact O-CB 3.4Å; L152-S155 PolarHBondContact O-N 3.35Å; L152-S155 PolarHBondContact O-OG 3.16Å; S155-L157 PolarHBondContact O-N 3.35Å; S155-L157 VanDerWaalsContact O-N 3.15Å; S155-T158 PolarHBondContact O-N 2.8Å; S155-T158 VanDerWaalsContact O-N 3.1Å
156E84.4Confident80.2Confident90 Ų9045.8 Ų45.842%0.42125%0.249SC..G310 helixtrans-64.6-15.8178.773.9-61.6146.500114.3G154 T158 Y459G154-E156 VanDerWaalsContact C-OE2 3.28Å; G154-E156 VanDerWaalsContact CA-OE1 3.28Å; G154-E156 WeakPolarHBondContact CA-OE1 3.48Å; G154-E156 VanDerWaalsContact CA-OE2 3.23Å; G154-E156 WeakPolarHBondContact CA-OE2 3.48Å; G154-E156 PolarHBondContact N-OE2 2.92Å; G154-E156 PolarHBondContact O-N 2.84Å; E156-T158 PolarHBondContact O-N 2.94Å; E156-Y459 PolarHBondContact OE1-OH 2.98Å
157L86.6Confident80.9Confident10 Ų1045.1 Ų45.15%0.05225%0.245CC..G310 helixtrans-79.9-3.4175.2-61174.2000113.2Y111 G154 S155 L302 P304 R305 L460 L463Y111-L157 HydrophobicContact CD1-CB 3.92Å; Y111-L157 HydrophobicContact CD1-CD1 4.33Å; Y111-L157 HydrophobicContact CD2-CD1 3.77Å; Y111-L157 HydrophobicContact CE1-CB 3.56Å; Y111-L157 HydrophobicContact CE1-CD1 4.44Å; Y111-L157 HydrophobicContact CE2-CB 4.31Å; Y111-L157 HydrophobicContact CE2-CD1 3.88Å; Y111-L157 HydrophobicContact CG-CB 4.43Å; Y111-L157 HydrophobicContact CG-CD1 4Å; G154-L157 PolarHBondContact O-N 2.94Å; S155-L157 PolarHBondContact O-N 3.35Å; S155-L157 VanDerWaalsContact O-N 3.15Å; L157-L302 HydrophobicContact CD2-CB 4.29Å; L157-P304 WeakPolarHBondContact O-CA 3.44Å; L157-R305 PolarHBondContact O-N 3.23Å; L157-L460 HydrophobicContact CD1-CD2 3.68Å; L157-L463 HydrophobicContact CD1-CD1 3.78Å
158T88.7Confident82.1Confident13 Ų1343.1 Ų43.18%0.0823%0.232CC..BIsolated β-bridgetrans-140.3136.1-177.6-46.50000111Y111 S155 E156 E160 R163 R305Y111-T158 PolarHBondContact OH-OG1 3.08Å; Y111-T158 VanDerWaalsContact OH-OG1 3.06Å; S155-T158 PolarHBondContact O-N 2.8Å; S155-T158 VanDerWaalsContact O-N 3.1Å; E156-T158 PolarHBondContact O-N 2.94Å; T158-E160 WeakPolarHBondContact CG2-O 3.36Å; T158-R163 VanDerWaalsContact OG1-CZ 3.29Å; T158-R163 PolarHBondContact OG1-NH1 3.38Å; T158-R163 PolarHBondContact OG1-NH2 2.94Å; T158-R305 CarbonylContact C-O 3.58Å; T158-R305 VanDerWaalsContact CA-O 3.3Å; T158-R305 WeakPolarHBondContact CA-O 3.45Å
159K87.9Confident83.5Confident147 Ų14736.2 Ų36.264%0.63920%0.196SC*.SBendtrans-73.2-29.7-177.6-61.9-176.4-179.5-176.10113.5P304 R305K159-P304 WeakPolarHBondContact CE-O 3.18Å; K159-P304 HydrophobicContact CG-CB 3.97Å; K159-P304 HydrophobicContact CG-CG 4.24Å; K159-R305 PolarHBondContact N-O 2.73Å
160E88.9Confident85.1Confident61 Ų6129.9 Ų29.929%0.28516%0.162SC..SBendtrans-115.8150.2-171.5-68.3150.4127.300110.1T158 F162 A307T158-E160 WeakPolarHBondContact CG2-O 3.36Å; E160-F162 VanDerWaalsContact C-N 3.31Å; E160-F162 HydrophobicContact CB-CD1 4.22Å; E160-F162 HydrophobicContact CB-CE1 3.83Å; E160-F162 HydrophobicContact CB-CE2 4.39Å; E160-F162 HydrophobicContact CB-CZ 3.9Å; E160-F162 HydrophobicContact CG-CE1 4.14Å; E160-F162 HydrophobicContact CG-CZ 4Å; E160-F162 PolarHBondContact O-N 3.39Å; E160-F162 WeakPolarHBondContact OE1-CZ 3.33Å; E160-A307 HydrophobicContact CB-CB 4.07Å; E160-A307 WeakPolarHBondContact OE2-CB 3.26Å; E160-A307 PolarHBondContact OE2-N 3.32Å
161P88.2Confident86.7Confident29 Ų2928.4 Ų28.419%0.18815%0.152CC..SBendtrans-74.5-21-178.128.2-32.7000113.2F96 N100 L146F96-P161 HydrophobicContact CD2-CB 4.4Å; N100-P161 PolarHBondContact ND2-O 3.13Å; L146-P161 HydrophobicContact CD1-CG 3.57Å
162F90.8Very high87.9Confident5 Ų523.2 Ų23.22%0.02212%0.118CC..SBendtrans-95.9175.5-179.560.6-95000112.7F96 E160 V202 T203 A307 H308F96-F162 HydrophobicContact CD1-CB 3.83Å; F96-F162 HydrophobicContact CE1-CB 3.5Å; F96-F162 VanDerWaalsContact CE1-CB 3.5Å; F96-F162 HydrophobicContact CZ-CB 3.93Å; E160-F162 VanDerWaalsContact C-N 3.31Å; E160-F162 HydrophobicContact CB-CD1 4.22Å; E160-F162 HydrophobicContact CB-CE1 3.83Å; E160-F162 HydrophobicContact CB-CE2 4.39Å; E160-F162 HydrophobicContact CB-CZ 3.9Å; E160-F162 HydrophobicContact CG-CE1 4.14Å; E160-F162 HydrophobicContact CG-CZ 4Å; E160-F162 PolarHBondContact O-N 3.39Å; E160-F162 WeakPolarHBondContact OE1-CZ 3.33Å; F162-V202 HydrophobicContact CE1-CG1 3.77Å; F162-V202 HydrophobicContact CZ-CG1 3.52Å; F162-T203 HydrophobicContact CB-CG2 4.21Å; F162-T203 HydrophobicContact CD1-CG2 3.85Å; F162-T203 HydrophobicContact CD2-CG2 4.05Å; F162-T203 HydrophobicContact CE1-CG2 4.25Å; F162-T203 HydrophobicContact CE2-CG2 4.44Å; F162-T203 HydrophobicContact CG-CG2 3.76Å; F162-A307 HydrophobicContact CD2-CB 3.67Å; F162-A307 HydrophobicContact CE2-CB 3.47Å; F162-A307 VanDerWaalsContact CE2-CB 3.47Å; F162-A307 HydrophobicContact CZ-CB 4.3Å; F162-A307 VanDerWaalsContact O-CB 3.3Å; F162-A307 WeakPolarHBondContact O-CB 3.41Å; F162-H308 AromaticContact CE2-CE1 3.44Å; F162-H308 VanDerWaalsContact CE2-CE1 3.44Å; F162-H308 WeakPolarHBondContact CE2-CE1 3.39Å; F162-H308 AromaticContact CE2-ND1 3.84Å; F162-H308 AromaticContact CE2-NE2 4Å
163R91.7Very high88.8Confident20 Ų2022.8 Ų22.88%0.07512%0.116CC..  trans-124.6159.5179.8-57.5-71.6165.4-175.5-12.8111.4N100 Y111 T158 D165 Q166N100-R163 WeakPolarHBondContact OD1-CG 3.37Å; N100-R163 PolarHBondContact OD1-NE 3.18Å; Y111-R163 PolarHBondContact OH-NH1 3.32Å; Y111-R163 PolarHBondContact OH-NH2 2.95Å; T158-R163 VanDerWaalsContact OG1-CZ 3.29Å; T158-R163 PolarHBondContact OG1-NH1 3.38Å; T158-R163 PolarHBondContact OG1-NH2 2.94Å; R163-D165 PolarHBondContact O-N 3.06Å; R163-Q166 HydrophobicContact CB-CB 4.44Å; R163-Q166 HydrophobicContact CB-CG 4.03Å; R163-Q166 WeakPolarHBondContact O-CB 3.5Å; R163-Q166 PolarHBondContact O-N 3.22Å
164W91Very high89.7Confident15 Ų1525.2 Ų25.26%0.05712%0.119CC..THydrogen-bonded Turntrans-61-14-179.666.3-11.7000116.4R115 N116 P117 V231 V232 I289 P309R115-W164 HydrophobicContact CB-CH2 3.66Å; R115-W164 HydrophobicContact CB-CZ2 4.42Å; R115-W164 HydrophobicContact CB-CZ3 3.77Å; N116-W164 WeakPolarHBondContact O-CZ2 3.29Å; P117-W164 HydrophobicContact CB-CH2 4.33Å; P117-W164 HydrophobicContact CG-CH2 4.18Å; W164-V231 HydrophobicContact CB-CG1 4.03Å; W164-V231 HydrophobicContact CD2-CG1 3.34Å; W164-V231 HydrophobicContact CD2-CG2 4.4Å; W164-V231 HydrophobicContact CE3-CG1 3.15Å; W164-V231 HydrophobicContact CG-CG1 3.78Å; W164-V231 HydrophobicContact CH2-CG1 4.16Å; W164-V231 HydrophobicContact CZ2-CG1 4.34Å; W164-V231 HydrophobicContact CZ2-CG2 4.33Å; W164-V231 HydrophobicContact CZ3-CG1 3.6Å; W164-V232 PolarHBondContact O-N 2.92Å; W164-I289 HydrophobicContact CZ3-CD1 4.46Å; W164-P309 HydrophobicContact CE3-CG 4.02Å; W164-P309 HydrophobicContact CZ3-CG 4.31Å
165D91.3Very high90.2Very high1 Ų125.3 Ų25.31%0.00512%0.119CC..THydrogen-bonded Turntrans-1149.5176.855.9-16.7000112.4R103 E121 S123 R163R103-D165 IonicContact CZ-OD1 2.7Å; R103-D165 IonicContact CZ-OD2 3.35Å; R103-D165 IonicContact NH1-OD1 3.14Å; R103-D165 PolarHBondContact NH1-OD1 3.46Å; R103-D165 IonicContact NH1-OD2 2.66Å; R103-D165 PolarHBondContact NH1-OD2 3.09Å; R103-D165 IonicContact NH2-OD1 2.74Å; R103-D165 IonicContact NH2-OD2 3.56Å; E121-D165 PolarHBondContact N-OD2 3.47Å; S123-D165 PolarHBondContact N-O 3.24Å; R163-D165 PolarHBondContact O-N 3.06Å
166Q93.4Very high90.6Very high0 Ų025.7 Ų25.70%012%0.12CC..EExtended strand (participates in β ladder)trans-101.8124171.2-71.7166.25.300110L99 N100 S123 R163L99-Q166 HydrophobicContact CD1-CG 4.21Å; N100-Q166 PolarHBondContact OD1-NE2 2.8Å; S123-Q166 WeakPolarHBondContact O-CA 3.4Å; S123-Q166 WeakPolarHBondContact OG-CG 3.49Å; R163-Q166 HydrophobicContact CB-CB 4.44Å; R163-Q166 HydrophobicContact CB-CG 4.03Å; R163-Q166 WeakPolarHBondContact O-CB 3.5Å; R163-Q166 PolarHBondContact O-N 3.22Å
167R93.1Very high90.5Very high9 Ų924.1 Ų24.13%0.03413%0.129CC..EExtended strand (participates in β ladder)trans-122.2137.8176.5-72.1171.3-68.3161.71.9111.4S123 V124 I125 F169 T203 K226 Q228 V232S123-R167 PolarHBondContact O-N 2.65Å; V124-R167 WeakPolarHBondContact CA-O 3.27Å; I125-R167 PolarHBondContact N-O 3.45Å; R167-F169 HydrophobicContact CB-CE2 4.07Å; R167-T203 WeakPolarHBondContact CG-O 3.32Å; R167-K226 PolarHBondContact NH1-O 2.69Å; R167-Q228 PolarHBondContact NH2-O 3.19Å; R167-V232 HydrophobicContact CG-CG2 4.22Å
168L94.1Very high90.3Very high0 Ų027.1 Ų27.10%016%0.155CC..EExtended strand (participates in β ladder)trans-104.5120.3176.8-177.966000111.1L92 I125 T127 I196 M199 C200 T203 G205 R206L92-L168 HydrophobicContact CD1-CD2 4.47Å; L92-L168 HydrophobicContact CD2-CD1 3.65Å; L92-L168 HydrophobicContact CD2-CD2 3.91Å; L92-L168 HydrophobicContact CD2-CG 4.46Å; I125-L168 HydrophobicContact CB-CD1 3.71Å; I125-L168 HydrophobicContact CG2-CD1 3.57Å; T127-L168 WeakPolarHBondContact OG1-CD1 3.23Å; L168-I196 HydrophobicContact CD2-CG1 4.24Å; L168-M199 HydrophobicContact CD2-CB 4.02Å; L168-M199 HydrophobicContact CD2-CG 3.63Å; L168-C200 PolarHBondContact O-SG 3.46Å; L168-T203 HydrophobicContact CB-CG2 4.39Å; L168-T203 VanDerWaalsContact CB-OG1 3.27Å; L168-T203 WeakPolarHBondContact CB-OG1 3.23Å; L168-T203 PolarHBondContact N-OG1 2.97Å; L168-G205 WeakPolarHBondContact O-CA 3.31Å; L168-R206 PolarHBondContact O-N 3.48Å
169F94.3Very high89.7Confident5 Ų530.7 Ų30.72%0.02219%0.186CC..EExtended strand (participates in β ladder)trans-110.1136.4166.7-62.1-84.8000109.9V124 I125 I126 T127 R167 R206 Y208 L223 K226V124-F169 HydrophobicContact CG1-CD2 3.58Å; V124-F169 HydrophobicContact CG1-CE2 3.79Å; I125-F169 PolarHBondContact O-N 2.74Å; I126-F169 WeakPolarHBondContact CA-O 3.31Å; T127-F169 PolarHBondContact N-O 2.88Å; R167-F169 HydrophobicContact CB-CE2 4.07Å; F169-R206 WeakPolarHBondContact CA-O 3.31Å; F169-R206 HydrophobicContact CD1-CB 4.08Å; F169-R206 HydrophobicContact CE1-CB 4.21Å; F169-Y208 HydrophobicContact CB-CE2 4.46Å; F169-Y208 AromaticContact CD1-CE2 3.9Å; F169-Y208 HydrophobicContact CD1-CE2 3.9Å; F169-L223 HydrophobicContact CB-CD1 3.61Å; F169-L223 HydrophobicContact CD1-CD1 3.76Å; F169-L223 HydrophobicContact CD2-CD1 3.55Å; F169-L223 HydrophobicContact CE1-CD1 4.31Å; F169-L223 HydrophobicContact CE2-CD1 4.11Å; F169-L223 HydrophobicContact CG-CD1 3.34Å; F169-L223 HydrophobicContact CZ-CD1 4.46Å; F169-K226 HydrophobicContact CE1-CD 3.91Å; F169-K226 HydrophobicContact CZ-CB 4.06Å; F169-K226 HydrophobicContact CZ-CD 4.21Å
170A94.1Very high88.7Confident0 Ų026.8 Ų26.80%018%0.181CC..EExtended strand (participates in β ladder)trans-110.8130.717600000110.3T127 I196 R206 S207 Y208T127-A170 CarbonylContact O-C 3.55Å; T127-A170 WeakPolarHBondContact O-CA 3.38Å; A170-I196 HydrophobicContact CB-CD1 3.73Å; A170-I196 HydrophobicContact CB-CG1 4.05Å; A170-I196 HydrophobicContact CB-CG2 3.82Å; A170-R206 PolarHBondContact N-O 3Å; A170-S207 CarbonylContact O-C 3.52Å; A170-S207 WeakPolarHBondContact O-CA 3.48Å; A170-Y208 PolarHBondContact O-N 2.78Å
171L94.1Very high87.5Confident0 Ų029.9 Ų29.90%021%0.206CC..EExtended strand (participates in β ladder)trans-105.1102.5166.2-62.1178.3000106.8I126 T127 I128 T129 Y208 C219 L220I126-L171 HydrophobicContact CG2-CD1 4.15Å; I126-L171 HydrophobicContact CG2-CG 4.47Å; T127-L171 PolarHBondContact O-N 3.16Å; I128-L171 WeakPolarHBondContact CA-O 3.27Å; I128-L171 HydrophobicContact CD1-CD1 4.06Å; I128-L171 HydrophobicContact CG1-CB 4.25Å; I128-L171 HydrophobicContact CG1-CD1 4.14Å; I128-L171 HydrophobicContact CG2-CB 4.32Å; T129-L171 PolarHBondContact N-O 3.37Å; L171-Y208 HydrophobicContact CD2-CD2 3.89Å; L171-Y208 HydrophobicContact CD2-CG 4.26Å; L171-C219 HydrophobicContact CD2-CB 3.89Å; L171-L220 HydrophobicContact CD1-CD2 3.73Å
172V93.1Very high86Confident0 Ų034.5 Ų34.50%023%0.229CC..EExtended strand (participates in β ladder)trans-92.8113178.1176.90000108.5T129 D130 R174 D192 I196 Y208 V210T129-V172 HydrophobicContact CG2-CG2 4.32Å; T129-V172 WeakPolarHBondContact O-CA 3.35Å; D130-V172 WeakPolarHBondContact O-CG1 3.25Å; V172-R174 HydrophobicContact CG1-CG 3.92Å; V172-R174 PolarHBondContact O-N 3.34Å; V172-D192 WeakPolarHBondContact CG1-OD2 3.33Å; V172-D192 HydrophobicContact CG2-CB 4.45Å; V172-D192 WeakPolarHBondContact CG2-OD2 3.39Å; V172-I196 HydrophobicContact CG2-CG2 4.31Å; V172-Y208 PolarHBondContact N-O 2.72Å; V172-V210 WeakPolarHBondContact O-CB 3.48Å; V172-V210 PolarHBondContact O-N 2.86Å
173L92.1Very high84.4Confident1 Ų142.2 Ų42.21%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-81.7108.5-179.3-58.2-177.3000109.5M14 Y24 V27 A28 I128 T129 V210 L216M14-L173 HydrophobicContact CE-CD1 4.33Å; Y24-L173 HydrophobicContact CD2-CB 3.84Å; Y24-L173 HydrophobicContact CE2-CB 4.02Å; Y24-L173 WeakPolarHBondContact CE2-O 3.39Å; Y24-L173 HydrophobicContact CG-CB 4.38Å; Y24-L173 HydrophobicContact CG-CD1 4.44Å; V27-L173 HydrophobicContact CG1-CD1 4.5Å; A28-L173 HydrophobicContact CB-CD1 4.33Å; I128-L173 HydrophobicContact CG2-CD1 3.86Å; I128-L173 HydrophobicContact CG2-CD2 4.37Å; I128-L173 HydrophobicContact CG2-CG 3.97Å; T129-L173 PolarHBondContact O-N 3.35Å; L173-V210 HydrophobicContact CD2-CB 4.2Å; L173-V210 HydrophobicContact CD2-CG1 4.2Å; L173-L216 HydrophobicContact CD2-CD1 4.5Å
174R89.7Confident83Confident81 Ų8143.9 Ų43.931%0.30628%0.279SS..  trans-121.351.1173.9-64.2-117.4-173.381.17.7109.8G131 V172 D192 S194 V210G131-R174 PolarHBondContact O-NH2 3.3Å; V172-R174 HydrophobicContact CG1-CG 3.92Å; V172-R174 PolarHBondContact O-N 3.34Å; R174-D192 IonicContact CZ-OD1 3.3Å; R174-D192 VanDerWaalsContact CZ-OD1 3.24Å; R174-D192 IonicContact CZ-OD2 3.68Å; R174-D192 IonicContact NH1-OD1 2.9Å; R174-D192 PolarHBondContact NH1-OD1 2.86Å; R174-D192 IonicContact NH1-OD2 2.72Å; R174-D192 IonicContact NH2-OD1 2.74Å; R174-D192 PolarHBondContact NH2-OD1 2.84Å; R174-D192 IonicContact NH2-OD2 2.89Å; R174-D192 PolarHBondContact NH2-OD2 3.11Å; R174-S194 PolarHBondContact NH2-OG 2.87Å; R174-S194 VanDerWaalsContact NH2-OG 3.1Å; R174-V210 CarbonylContact C-O 3.35Å; R174-V210 WeakPolarHBondContact CA-O 3.33Å; R174-V210 PolarHBondContact N-O 3.38Å
175L88.3Confident81.4Confident2 Ų252 Ų521%0.0132%0.318CS..  trans-79121.1-179.5-68.4159.4000109T18 Y19 Y24 V27 V210T18-L175 HydrophobicContact CG2-CB 3.83Å; T18-L175 HydrophobicContact CG2-CD1 3.83Å; T18-L175 HydrophobicContact CG2-CG 4.46Å; Y19-L175 HydrophobicContact CE1-CD2 4.22Å; Y24-L175 HydrophobicContact CE1-CB 4.04Å; Y24-L175 PolarHBondContact OH-N 2.69Å; Y24-L175 PolarHBondContact OH-O 2.66Å; V27-L175 HydrophobicContact CB-CD1 4.41Å; V27-L175 HydrophobicContact CG1-CD1 3.83Å; V27-L175 HydrophobicContact CG2-CD1 4.3Å; L175-V210 HydrophobicContact CD2-CG1 4.48Å
176P86.1Confident79.4Confident50 Ų5059.2 Ų59.233%0.32536%0.356SS..  trans-66.6151.3-17728.9-35.4000111.6Y19 A178 A180 R211Y19-P176 HydrophobicContact CD1-CG 4.37Å; Y19-P176 WeakPolarHBondContact CD1-O 3.33Å; Y19-P176 PolarHBondContact N-O 2.68Å; P176-A178 WeakPolarHBondContact CB-O 3.49Å; P176-A178 WeakPolarHBondContact CG-O 3.26Å; P176-A180 HydrophobicContact CG-CB 4.44Å; P176-R211 WeakPolarHBondContact CD-O 3.44Å
177G84.1Confident77.8Confident58 Ų5861.5 Ų61.560%0.59838%0.38SS*.SBendtrans-74.8-26.517500000113.3Y19Y19-G177 WeakPolarHBondContact CA-O 3.48Å
178A82.3Confident76.4Confident73 Ų7366.2 Ų66.260%0.60341%0.414SS*.SBendtrans-105.6152.4172.500000110.5P176 A180P176-A178 WeakPolarHBondContact CB-O 3.49Å; P176-A178 WeakPolarHBondContact CG-O 3.26Å; A178-A180 PolarHBondContact O-N 3.35Å; A178-A180 VanDerWaalsContact O-N 3.07Å
179A75.3Confident75.6Confident88 Ų8866.9 Ų66.973%0.72742%0.418SS*.  trans-67.6105.9172.300000109.9
180A67.3Low75Confident65 Ų6568.9 Ų68.954%0.53743%0.431SS..  trans-80.3144.1171.100000109.9P176 A178P176-A180 HydrophobicContact CG-CB 4.44Å; A178-A180 PolarHBondContact O-N 3.35Å; A178-A180 VanDerWaalsContact O-N 3.07Å
181P62.3Low74.3Confident125 Ų12572.3 Ų72.381%0.81245%0.452SS*.  trans-65.9134.1172.527.3-33.2000110.6N183P181-N183 PolarHBondContact O-N 2.96Å
182D58.5Low73.6Confident126 Ų12672.7 Ų72.767%0.67446%0.455SS*.  trans-64.2101.3-178.4-81.2-36.7000111.5E184D182-E184 VanDerWaalsContact C-N 3.31Å; D182-E184 HydrophobicContact CB-CG 4.42Å
183N57.1Low72.8Confident167 Ų16782.2 Ų82.289%0.89350%0.499SS*.  trans-100.450.6163.6-143.98.9000109.1P181 Q185P181-N183 PolarHBondContact O-N 2.96Å; N183-Q185 PolarHBondContact O-N 3.49Å
184E60.9Low72.3Confident55 Ų5583.1 Ų83.126%0.25751%0.505SS..  trans-73.3110.1-177.3-74-16314900110.9D182 L186 T212 R214D182-E184 VanDerWaalsContact C-N 3.31Å; D182-E184 HydrophobicContact CB-CG 4.42Å; E184-L186 PolarHBondContact O-N 2.8Å; E184-T212 PolarHBondContact OE1-OG1 3.01Å; E184-R214 VanDerWaalsContact OE2-CD 3.31Å; E184-R214 WeakPolarHBondContact OE2-CD 3.36Å; E184-R214 IonicContact OE2-CZ 3.01Å; E184-R214 IonicContact OE2-NE 3.37Å; E184-R214 IonicContact OE2-NH1 3.38Å; E184-R214 PolarHBondContact OE2-NH1 3.21Å
185Q57.8Low72Confident185 Ų18580.9 Ų80.986%0.86450%0.504SS*.  trans-63.9120.1158.5-76-179.1-1600108.7N183 G187N183-Q185 PolarHBondContact O-N 3.49Å; Q185-G187 PolarHBondContact O-N 2.9Å
186L48.9Very low72Confident153 Ų15381 Ų8180%0.80151%0.505SS*.SBendtrans-77.766.3-173.9-157.179.6000111.8E184E184-L186 PolarHBondContact O-N 2.8Å
187G59.9Low72.1Confident49 Ų4979.2 Ų79.251%0.50549%0.493SS..SBendtrans175.8137.7178.700000114Q185Q185-G187 PolarHBondContact O-N 2.9Å
188S64.3Low72.2Confident108 Ų10883.5 Ų83.576%0.75550%0.498SS*.  trans40107.8172.862.50000117.3
189V76.3Confident72.5Confident13 Ų1381.6 Ų81.68%0.07948%0.476CS..PPolyproline II helixtrans-49128170.5179.70000110.7R206 Y208 M215 Q218 C219V189-R206 VanDerWaalsContact O-CZ 3.29Å; V189-R206 PolarHBondContact O-NH1 3.49Å; V189-R206 PolarHBondContact O-NH2 3.44Å; V189-Y208 HydrophobicContact CB-CD1 4.26Å; V189-Y208 HydrophobicContact CG1-CD1 4.12Å; V189-M215 HydrophobicContact CG1-CE 4.03Å; V189-Q218 HydrophobicContact CG2-CB 4.37Å; V189-C219 VanDerWaalsContact CG1-SG 3.59Å
190P82.6Confident73.2Confident47 Ų4777.4 Ų77.431%0.30544%0.442SS..PPolyproline II helixtrans-69.3152.5-178.827.1-32.7000112C209 M215P190-C209 HydrophobicContact CG-CB 4.38Å; P190-C209 PolarHBondContact O-N 3.45Å; P190-M215 HydrophobicContact CG-CE 4.21Å
191T80.3Confident74.1Confident72 Ų7279.7 Ų79.744%0.44244%0.442SS..PPolyproline II helixtrans-67.1161.6164.1390000110.4R206T191-R206 HydrophobicContact CG2-CG 4.19Å
192D78.1Confident75.3Confident9 Ų977 Ų775%0.04842%0.422CS..  trans-106.6154.3176-171.532000112.1V172 R174 S194 T197 S207 C209V172-D192 WeakPolarHBondContact CG1-OD2 3.33Å; V172-D192 HydrophobicContact CG2-CB 4.45Å; V172-D192 WeakPolarHBondContact CG2-OD2 3.39Å; R174-D192 IonicContact CZ-OD1 3.3Å; R174-D192 VanDerWaalsContact CZ-OD1 3.24Å; R174-D192 IonicContact CZ-OD2 3.68Å; R174-D192 IonicContact NH1-OD1 2.9Å; R174-D192 PolarHBondContact NH1-OD1 2.86Å; R174-D192 IonicContact NH1-OD2 2.72Å; R174-D192 IonicContact NH2-OD1 2.74Å; R174-D192 PolarHBondContact NH2-OD1 2.84Å; R174-D192 IonicContact NH2-OD2 2.89Å; R174-D192 PolarHBondContact NH2-OD2 3.11Å; D192-S194 VanDerWaalsContact C-N 3.35Å; D192-S194 WeakPolarHBondContact OD2-CB 3.39Å; D192-S194 PolarHBondContact OD2-OG 2.99Å; D192-T197 WeakPolarHBondContact O-CB 3.38Å; D192-T197 WeakPolarHBondContact O-CG2 3.26Å; D192-T197 PolarHBondContact O-OG1 2.89Å; D192-S207 PolarHBondContact N-OG 3.42Å; D192-C209 HydrophobicContact CB-CB 4.02Å
193E77.2Confident76.8Confident199 Ų19971 Ų7193%0.9339%0.39SS*.  trans-98.839.4174.6-64.2-171.417200111.9
194S81.7Confident78.1Confident20 Ų2064 Ų6414%0.1436%0.359CS..SBendtrans-90.3156.5172.6-72.10000112.1G131 R174 D192 I196 T197G131-S194 PolarHBondContact O-OG 2.89Å; R174-S194 PolarHBondContact NH2-OG 2.87Å; R174-S194 VanDerWaalsContact NH2-OG 3.1Å; D192-S194 VanDerWaalsContact C-N 3.35Å; D192-S194 WeakPolarHBondContact OD2-CB 3.39Å; D192-S194 PolarHBondContact OD2-OG 2.99Å; S194-I196 PolarHBondContact O-N 2.95Å; S194-T197 VanDerWaalsContact O-CB 3.29Å; S194-T197 WeakPolarHBondContact O-CB 3.48Å; S194-T197 PolarHBondContact O-N 3.38Å; S194-T197 PolarHBondContact O-OG1 2.98Å
195A83.1Confident79.4Confident34 Ų3462.3 Ų62.328%0.28136%0.355SS..Hα-helixtrans-55-25.5175.600000114.1L134 L144 T197L134-A195 HydrophobicContact CD1-CB 4.48Å; L144-A195 HydrophobicContact CB-CB 3.82Å; A195-T197 VanDerWaalsContact C-N 3.32Å; A195-T197 PolarHBondContact O-N 2.84Å
196I87.7Confident80.9Confident4 Ų456.6 Ų56.62%0.02133%0.326CS..Hα-helixtrans-69.4-23.8174.4-163.4167.7000113.6L88 T127 L144 L168 A170 V172 S194 Q198 M199 C200L88-I196 HydrophobicContact CD1-CD1 4.11Å; L88-I196 HydrophobicContact CD2-CB 4.19Å; L88-I196 HydrophobicContact CD2-CD1 4.05Å; L88-I196 HydrophobicContact CD2-CG1 4.35Å; T127-I196 HydrophobicContact CG2-CD1 3.56Å; L144-I196 HydrophobicContact CD2-CB 4.45Å; L168-I196 HydrophobicContact CD2-CG1 4.24Å; A170-I196 HydrophobicContact CB-CD1 3.73Å; A170-I196 HydrophobicContact CB-CG1 4.05Å; A170-I196 HydrophobicContact CB-CG2 3.82Å; V172-I196 HydrophobicContact CG2-CG2 4.31Å; S194-I196 PolarHBondContact O-N 2.95Å; I196-Q198 PolarHBondContact O-N 3.01Å; I196-M199 WeakPolarHBondContact O-CB 3.45Å; I196-M199 PolarHBondContact O-N 3.22Å; I196-M199 VanDerWaalsContact O-N 3.16Å; I196-C200 PolarHBondContact O-N 3.09Å
197T88.4Confident82.9Confident14 Ų1449.3 Ų49.39%0.08629%0.288CS..Hα-helixtrans-61.4-43.6-177.1-65.40000112D192 S194 A195 M199 C200 E201 S207D192-T197 WeakPolarHBondContact O-CB 3.38Å; D192-T197 WeakPolarHBondContact O-CG2 3.26Å; D192-T197 PolarHBondContact O-OG1 2.89Å; S194-T197 VanDerWaalsContact O-CB 3.29Å; S194-T197 WeakPolarHBondContact O-CB 3.48Å; S194-T197 PolarHBondContact O-N 3.38Å; S194-T197 PolarHBondContact O-OG1 2.98Å; A195-T197 VanDerWaalsContact C-N 3.32Å; A195-T197 PolarHBondContact O-N 2.84Å; T197-M199 VanDerWaalsContact C-N 3.29Å; T197-M199 PolarHBondContact O-N 2.83Å; T197-C200 WeakPolarHBondContact O-CB 3.11Å; T197-C200 PolarHBondContact O-N 3.36Å; T197-C200 VanDerWaalsContact O-N 3.13Å; T197-E201 HydrophobicContact CG2-CG 4.47Å; T197-E201 WeakPolarHBondContact O-CG 3.44Å; T197-E201 PolarHBondContact O-N 3.45Å; T197-S207 WeakPolarHBondContact CG2-OG 3.48Å; T197-S207 WeakPolarHBondContact OG1-CB 3.48Å; T197-S207 PolarHBondContact OG1-OG 2.99Å
198Q86.6Confident84.4Confident148 Ų14847.1 Ų47.169%0.69226%0.264SS*.Hα-helixtrans-59.3-41.2176.6-64.5178-4.500111.3I196 E201 V202I196-Q198 PolarHBondContact O-N 3.01Å; Q198-E201 PolarHBondContact O-N 3.32Å; Q198-V202 WeakPolarHBondContact O-CB 3.49Å; Q198-V202 VanDerWaalsContact O-CG2 3.26Å; Q198-V202 WeakPolarHBondContact O-CG2 3.4Å; Q198-V202 PolarHBondContact O-N 3.22Å
199M87.3Confident85.7Confident32 Ų3242 Ų4216%0.15823%0.228CC..Hα-helixtrans-67.9-37176.3-165.364.260.800112.4L146 L168 I196 T197 T203L146-M199 HydrophobicContact CD1-CE 3.61Å; L146-M199 HydrophobicContact CD1-SD 3.93Å; L146-M199 HydrophobicContact CG-CE 3.89Å; L168-M199 HydrophobicContact CD2-CB 4.02Å; L168-M199 HydrophobicContact CD2-CG 3.63Å; I196-M199 WeakPolarHBondContact O-CB 3.45Å; I196-M199 PolarHBondContact O-N 3.22Å; I196-M199 VanDerWaalsContact O-N 3.16Å; T197-M199 VanDerWaalsContact C-N 3.29Å; T197-M199 PolarHBondContact O-N 2.83Å; M199-T203 WeakPolarHBondContact O-CG2 3.34Å; M199-T203 PolarHBondContact O-N 2.81Å; M199-T203 PolarHBondContact O-OG1 2.86Å
200C90.1Very high86.4Confident0 Ų041.3 Ų41.30%022%0.224CC..Hα-helixtrans-61.6-45.7171.6-77.20000111.9L168 I196 T197 T203 G204 G205L168-C200 PolarHBondContact O-SG 3.46Å; I196-C200 PolarHBondContact O-N 3.09Å; T197-C200 WeakPolarHBondContact O-CB 3.11Å; T197-C200 PolarHBondContact O-N 3.36Å; T197-C200 VanDerWaalsContact O-N 3.13Å; C200-T203 PolarHBondContact O-N 3.34Å; C200-T203 PolarHBondContact O-OG1 3.35Å; C200-T203 VanDerWaalsContact O-OG1 3.1Å; C200-G204 PolarHBondContact O-N 3.2Å; C200-G205 CarbonylContact O-C 3.48Å; C200-G205 VanDerWaalsContact O-CA 3.31Å; C200-G205 WeakPolarHBondContact O-CA 3.33Å; C200-G205 PolarHBondContact O-N 3.42Å
201E87.6Confident86.7Confident114 Ų11444.9 Ų44.953%0.53323%0.232SC..Hα-helixtrans-67.3-45.9-179.6-70.9178.2173.300112.1T197 Q198 T203 G204T197-E201 HydrophobicContact CG2-CG 4.47Å; T197-E201 WeakPolarHBondContact O-CG 3.44Å; T197-E201 PolarHBondContact O-N 3.45Å; Q198-E201 PolarHBondContact O-N 3.32Å; E201-T203 VanDerWaalsContact C-N 3.25Å; E201-T203 PolarHBondContact O-N 2.93Å; E201-G204 PolarHBondContact O-N 3.27Å
202V87.8Confident87.1Confident67 Ų6742.6 Ų42.641%0.40622%0.218SC..Hα-helixtrans-58.7-35.6177.8166.60000112.2F162 Q198 G204 H308F162-V202 HydrophobicContact CE1-CG1 3.77Å; F162-V202 HydrophobicContact CZ-CG1 3.52Å; Q198-V202 WeakPolarHBondContact O-CB 3.49Å; Q198-V202 VanDerWaalsContact O-CG2 3.26Å; Q198-V202 WeakPolarHBondContact O-CG2 3.4Å; Q198-V202 PolarHBondContact O-N 3.22Å; V202-G204 VanDerWaalsContact C-N 3.32Å; V202-H308 PolarHBondContact O-CE1 3.31Å; V202-H308 PolarHBondContact O-ND1 3.4Å
203T89.6Confident87.6Confident0 Ų044.8 Ų44.80%023%0.228CC..THydrogen-bonded Turntrans-84.33.7176.5580000114.4F96 F162 R167 L168 M199 C200 E201 G205F96-T203 HydrophobicContact CZ-CG2 4.47Å; F162-T203 HydrophobicContact CB-CG2 4.21Å; F162-T203 HydrophobicContact CD1-CG2 3.85Å; F162-T203 HydrophobicContact CD2-CG2 4.05Å; F162-T203 HydrophobicContact CE1-CG2 4.25Å; F162-T203 HydrophobicContact CE2-CG2 4.44Å; F162-T203 HydrophobicContact CG-CG2 3.76Å; R167-T203 WeakPolarHBondContact CG-O 3.32Å; L168-T203 HydrophobicContact CB-CG2 4.39Å; L168-T203 VanDerWaalsContact CB-OG1 3.27Å; L168-T203 WeakPolarHBondContact CB-OG1 3.23Å; L168-T203 PolarHBondContact N-OG1 2.97Å; M199-T203 WeakPolarHBondContact O-CG2 3.34Å; M199-T203 PolarHBondContact O-N 2.81Å; M199-T203 PolarHBondContact O-OG1 2.86Å; C200-T203 PolarHBondContact O-N 3.34Å; C200-T203 PolarHBondContact O-OG1 3.35Å; C200-T203 VanDerWaalsContact O-OG1 3.1Å; E201-T203 VanDerWaalsContact C-N 3.25Å; E201-T203 PolarHBondContact O-N 2.93Å; T203-G205 VanDerWaalsContact C-N 3.32Å; T203-G205 PolarHBondContact O-N 3.41Å
204G84.7Confident88.1Confident22 Ų2241.7 Ų41.723%0.22721%0.207CC..THydrogen-bonded Turntrans71.124.9-177.500000114.3C200 E201 V202C200-G204 PolarHBondContact O-N 3.2Å; E201-G204 PolarHBondContact O-N 3.27Å; V202-G204 VanDerWaalsContact C-N 3.32Å
205G88.1Confident88.5Confident18 Ų1841.8 Ų41.819%0.18621%0.206CC..  trans-104.5-151.6172.900000112.9L168 C200 T203L168-G205 WeakPolarHBondContact O-CA 3.31Å; C200-G205 CarbonylContact O-C 3.48Å; C200-G205 VanDerWaalsContact O-CA 3.31Å; C200-G205 WeakPolarHBondContact O-CA 3.33Å; C200-G205 PolarHBondContact O-N 3.42Å; T203-G205 VanDerWaalsContact C-N 3.32Å; T203-G205 PolarHBondContact O-N 3.41Å
206R88.8Confident88.9Confident65 Ų6540.2 Ų40.225%0.24519%0.193CC..EExtended strand (participates in β ladder)trans-159141.7-179.7-174174.2-169-130.53.5111.6L168 F169 A170 V189 T191 Y208L168-R206 PolarHBondContact O-N 3.48Å; F169-R206 WeakPolarHBondContact CA-O 3.31Å; F169-R206 HydrophobicContact CD1-CB 4.08Å; F169-R206 HydrophobicContact CE1-CB 4.21Å; A170-R206 PolarHBondContact N-O 3Å; V189-R206 VanDerWaalsContact O-CZ 3.29Å; V189-R206 PolarHBondContact O-NH1 3.49Å; V189-R206 PolarHBondContact O-NH2 3.44Å; T191-R206 HydrophobicContact CG2-CG 4.19Å; R206-Y208 HydrophobicContact CB-CE2 4.38Å; R206-Y208 HydrophobicContact CG-CE1 4.5Å
207S91.4Very high89.2Confident1 Ų142.8 Ų42.81%0.00721%0.206CC..EExtended strand (participates in β ladder)trans-88.5143.2164.863.70000111.6A170 D192 T197A170-S207 CarbonylContact O-C 3.52Å; A170-S207 WeakPolarHBondContact O-CA 3.48Å; D192-S207 PolarHBondContact N-OG 3.42Å; T197-S207 WeakPolarHBondContact CG2-OG 3.48Å; T197-S207 WeakPolarHBondContact OG1-CB 3.48Å; T197-S207 PolarHBondContact OG1-OG 2.99Å
208Y91.9Very high89.3Confident2 Ų245.9 Ų45.91%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-122.3123.6177.3-59.1-88.6000109.2F169 A170 L171 V172 V189 R206 C219 L223 K226F169-Y208 HydrophobicContact CB-CE2 4.46Å; F169-Y208 AromaticContact CD1-CE2 3.9Å; F169-Y208 HydrophobicContact CD1-CE2 3.9Å; A170-Y208 PolarHBondContact O-N 2.78Å; L171-Y208 HydrophobicContact CD2-CD2 3.89Å; L171-Y208 HydrophobicContact CD2-CG 4.26Å; V172-Y208 PolarHBondContact N-O 2.72Å; V189-Y208 HydrophobicContact CB-CD1 4.26Å; V189-Y208 HydrophobicContact CG1-CD1 4.12Å; R206-Y208 HydrophobicContact CB-CE2 4.38Å; R206-Y208 HydrophobicContact CG-CE1 4.5Å; Y208-C219 HydrophobicContact CG-CB 4.44Å; Y208-L223 HydrophobicContact CE2-CD1 4.37Å; Y208-K226 WeakPolarHBondContact OH-CD 3.31Å; Y208-K226 PolarHBondContact OH-NZ 3.13Å
209C91.1Very high89.6Confident0 Ų038.8 Ų38.80%019%0.187CC..EExtended strand (participates in β ladder)trans-86.3110.5172.7-168.50000109.7P190 D192 M215P190-C209 HydrophobicContact CG-CB 4.38Å; P190-C209 PolarHBondContact O-N 3.45Å; D192-C209 HydrophobicContact CB-CB 4.02Å; C209-M215 VanDerWaalsContact O-CE 3.3Å; C209-M215 WeakPolarHBondContact O-CE 3.18Å
210V90.9Very high89.8Confident0 Ų037.4 Ų37.40%018%0.18CC..EExtended strand (participates in β ladder)trans-96.8108.8-177.6177.30000109.8V172 L173 R174 L175 L216V172-V210 WeakPolarHBondContact O-CB 3.48Å; V172-V210 PolarHBondContact O-N 2.86Å; L173-V210 HydrophobicContact CD2-CB 4.2Å; L173-V210 HydrophobicContact CD2-CG1 4.2Å; R174-V210 CarbonylContact C-O 3.35Å; R174-V210 WeakPolarHBondContact CA-O 3.33Å; R174-V210 PolarHBondContact N-O 3.38Å; L175-V210 HydrophobicContact CD2-CG1 4.48Å; V210-L216 HydrophobicContact CG1-CB 3.65Å; V210-L216 HydrophobicContact CG1-CD1 4.09Å; V210-L216 HydrophobicContact CG1-CG 4.37Å; V210-L216 HydrophobicContact CG2-CD1 4.11Å
211R88.8Confident89.9Confident121 Ų12142.1 Ų42.146%0.45720%0.202SC..  trans-105.2-24.6177.9-61.1-172-179.298.70.7114.8P176 M215P176-R211 WeakPolarHBondContact CD-O 3.44Å; R211-M215 HydrophobicContact CB-SD 3.93Å
212T88.6Confident90.1Very high24 Ų2438.6 Ų38.615%0.14719%0.19CC..SBendtrans-130.2156.6177.774.10000110.8E184 R214 M215 L216E184-T212 PolarHBondContact OE1-OG1 3.01Å; T212-R214 PolarHBondContact O-N 3.19Å; T212-R214 PolarHBondContact OG1-N 3.46Å; T212-M215 HydrophobicContact CG2-SD 4.37Å; T212-M215 PolarHBondContact O-N 3.39Å; T212-M215 VanDerWaalsContact OG1-CG 3.31Å; T212-M215 WeakPolarHBondContact OG1-CG 3.47Å; T212-M215 PolarHBondContact OG1-N 3.15Å; T212-L216 PolarHBondContact O-N 2.98Å
213Q88.3Confident90.3Very high55 Ų5535.4 Ų35.426%0.25717%0.171SC..Hα-helixtrans-61.9-27.6173.8-172.764.314.200112.2L216 N217Q213-L216 WeakPolarHBondContact O-CB 3.3Å; Q213-L216 PolarHBondContact O-N 3.27Å; Q213-N217 PolarHBondContact O-N 2.8Å; Q213-N217 PolarHBondContact O-ND2 3.04Å
214R88.6Confident90.3Very high134 Ų13436.5 Ų36.551%0.50618%0.178SC..Hα-helixtrans-68.4-47.8174.5-168.7-170.1-170.6-171.26.2111.2E184 T212 L216 N217 Q218E184-R214 VanDerWaalsContact OE2-CD 3.31Å; E184-R214 WeakPolarHBondContact OE2-CD 3.36Å; E184-R214 IonicContact OE2-CZ 3.01Å; E184-R214 IonicContact OE2-NE 3.37Å; E184-R214 IonicContact OE2-NH1 3.38Å; E184-R214 PolarHBondContact OE2-NH1 3.21Å; T212-R214 PolarHBondContact O-N 3.19Å; T212-R214 PolarHBondContact OG1-N 3.46Å; R214-L216 VanDerWaalsContact C-N 3.28Å; R214-L216 PolarHBondContact O-N 2.97Å; R214-N217 PolarHBondContact O-N 3.5Å; R214-Q218 WeakPolarHBondContact O-CG 3.49Å; R214-Q218 PolarHBondContact O-N 2.87Å; R214-Q218 VanDerWaalsContact O-N 3.13Å
215M90.1Very high90.5Very high23 Ų2342.1 Ų42.111%0.11320%0.198CC..Hα-helixtrans-57.8-41.1172.8-70.6175.174.300111.4V189 P190 C209 R211 T212 N217 Q218 C219V189-M215 HydrophobicContact CG1-CE 4.03Å; P190-M215 HydrophobicContact CG-CE 4.21Å; C209-M215 VanDerWaalsContact O-CE 3.3Å; C209-M215 WeakPolarHBondContact O-CE 3.18Å; R211-M215 HydrophobicContact CB-SD 3.93Å; T212-M215 HydrophobicContact CG2-SD 4.37Å; T212-M215 PolarHBondContact O-N 3.39Å; T212-M215 VanDerWaalsContact OG1-CG 3.31Å; T212-M215 WeakPolarHBondContact OG1-CG 3.47Å; T212-M215 PolarHBondContact OG1-N 3.15Å; M215-N217 PolarHBondContact O-N 2.77Å; M215-Q218 PolarHBondContact O-N 3.18Å; M215-C219 PolarHBondContact O-N 2.85Å; M215-C219 PolarHBondContact O-SG 2.86Å
216L91.7Very high90.4Very high0 Ų044.1 Ų44.10%020%0.201CC..Hα-helixtrans-55.7-50176.1-178.660000111.6V27 A31 L173 V210 T212 Q213 R214 Q218 C219 L220V27-L216 HydrophobicContact CG1-CD2 3.78Å; A31-L216 HydrophobicContact CB-CD1 4.14Å; A31-L216 HydrophobicContact CB-CD2 4.15Å; L173-L216 HydrophobicContact CD2-CD1 4.5Å; V210-L216 HydrophobicContact CG1-CB 3.65Å; V210-L216 HydrophobicContact CG1-CD1 4.09Å; V210-L216 HydrophobicContact CG1-CG 4.37Å; V210-L216 HydrophobicContact CG2-CD1 4.11Å; T212-L216 PolarHBondContact O-N 2.98Å; Q213-L216 WeakPolarHBondContact O-CB 3.3Å; Q213-L216 PolarHBondContact O-N 3.27Å; R214-L216 VanDerWaalsContact C-N 3.28Å; R214-L216 PolarHBondContact O-N 2.97Å; L216-Q218 VanDerWaalsContact C-N 3.34Å; L216-Q218 PolarHBondContact O-N 3.49Å; L216-C219 VanDerWaalsContact O-CB 3.31Å; L216-C219 WeakPolarHBondContact O-CB 3.44Å; L216-C219 PolarHBondContact O-N 2.9Å; L216-L220 HydrophobicContact CD1-CD1 4.49Å; L216-L220 HydrophobicContact CD1-CG 4.42Å; L216-L220 HydrophobicContact CG-CD1 4.35Å; L216-L220 WeakPolarHBondContact O-CG 3.4Å; L216-L220 PolarHBondContact O-N 2.79Å
217N92.3Very high90.3Very high58 Ų5841.4 Ų41.431%0.3119%0.192SC..Hα-helixtrans-60.9-42.7178.9-70-32.2000111.9Q213 R214 M215 C219 L220 E221Q213-N217 PolarHBondContact O-N 2.8Å; Q213-N217 PolarHBondContact O-ND2 3.04Å; R214-N217 PolarHBondContact O-N 3.5Å; M215-N217 PolarHBondContact O-N 2.77Å; N217-C219 VanDerWaalsContact C-N 3.35Å; N217-C219 PolarHBondContact O-N 3.5Å; N217-L220 PolarHBondContact O-N 3.39Å; N217-E221 WeakPolarHBondContact O-CG 3.3Å; N217-E221 PolarHBondContact O-N 3.1Å
218Q91.3Very high89.9Confident79 Ų7945.4 Ų45.437%0.36921%0.211SC..Hα-helixtrans-62.2-38.5174.9-67.51750.200112.7V189 R214 M215 L216 S222V189-Q218 HydrophobicContact CG2-CB 4.37Å; R214-Q218 WeakPolarHBondContact O-CG 3.49Å; R214-Q218 PolarHBondContact O-N 2.87Å; R214-Q218 VanDerWaalsContact O-N 3.13Å; M215-Q218 PolarHBondContact O-N 3.18Å; L216-Q218 VanDerWaalsContact C-N 3.34Å; L216-Q218 PolarHBondContact O-N 3.49Å; Q218-S222 WeakPolarHBondContact O-CB 3.49Å; Q218-S222 PolarHBondContact O-N 2.85Å
219C92.1Very high89.6Confident0 Ų047 Ų470%022%0.222CC..Hα-helixtrans-58.4-49172.2-64.40000111.1L171 V189 Y208 M215 L216 N217 S222 L223L171-C219 HydrophobicContact CD2-CB 3.89Å; V189-C219 VanDerWaalsContact CG1-SG 3.59Å; Y208-C219 HydrophobicContact CG-CB 4.44Å; M215-C219 PolarHBondContact O-N 2.85Å; M215-C219 PolarHBondContact O-SG 2.86Å; L216-C219 VanDerWaalsContact O-CB 3.31Å; L216-C219 WeakPolarHBondContact O-CB 3.44Å; L216-C219 PolarHBondContact O-N 2.9Å; N217-C219 VanDerWaalsContact C-N 3.35Å; N217-C219 PolarHBondContact O-N 3.5Å; C219-S222 PolarHBondContact O-N 3.32Å; C219-L223 WeakPolarHBondContact O-CB 3.25Å; C219-L223 PolarHBondContact O-N 3.47Å
220L93Very high89.4Confident2 Ų247.1 Ų47.11%0.0122%0.223CC..Hα-helixtrans-65.4-41-176.3-63.2177.6000111.6A31 I34 F35 L38 L171 L216 N217 L223 V224A31-L220 HydrophobicContact CB-CD1 4.16Å; A31-L220 WeakPolarHBondContact O-CD1 3.31Å; I34-L220 HydrophobicContact CB-CD1 3.98Å; I34-L220 HydrophobicContact CG2-CD1 3.75Å; F35-L220 HydrophobicContact CB-CD2 4.24Å; F35-L220 HydrophobicContact CD2-CD2 4.17Å; L38-L220 HydrophobicContact CD1-CB 3.97Å; L171-L220 HydrophobicContact CD1-CD2 3.73Å; L216-L220 HydrophobicContact CD1-CD1 4.49Å; L216-L220 HydrophobicContact CD1-CG 4.42Å; L216-L220 HydrophobicContact CG-CD1 4.35Å; L216-L220 WeakPolarHBondContact O-CG 3.4Å; L216-L220 PolarHBondContact O-N 2.79Å; N217-L220 PolarHBondContact O-N 3.39Å; L220-L223 PolarHBondContact O-N 3.18Å; L220-V224 WeakPolarHBondContact O-CG2 3.45Å; L220-V224 PolarHBondContact O-N 2.88Å
221E91.8Very high89.4Confident100 Ų10047.1 Ų47.147%0.46722%0.223SC..Hα-helixtrans-62.3-46.2174.2-71.1179.8169.500112.1L38 N217 L223 V224 Q225L38-E221 HydrophobicContact CD1-CG 3.85Å; L38-E221 HydrophobicContact CD2-CG 4.31Å; N217-E221 WeakPolarHBondContact O-CG 3.3Å; N217-E221 PolarHBondContact O-N 3.1Å; E221-L223 VanDerWaalsContact C-N 3.32Å; E221-L223 PolarHBondContact O-N 2.91Å; E221-V224 PolarHBondContact O-N 3.45Å; E221-Q225 PolarHBondContact O-N 3.24Å
222S91Very high89.5Confident40 Ų4041.4 Ų41.428%0.2820%0.202SC..Hα-helixtrans-63.8-37.1175-170.60000112.3Q218 C219 Q225 K226Q218-S222 WeakPolarHBondContact O-CB 3.49Å; Q218-S222 PolarHBondContact O-N 2.85Å; C219-S222 PolarHBondContact O-N 3.32Å; S222-Q225 PolarHBondContact O-N 3.31Å; S222-K226 WeakPolarHBondContact O-CG 3.45Å; S222-K226 PolarHBondContact O-N 2.95Å
223L91.9Very high89.7Confident0 Ų040.4 Ų40.40%020%0.195CC..Hα-helixtrans-66.5-43.9179.5-173.562.8000111.4F35 I126 F169 Y208 C219 L220 E221 Q225 K226 V227F35-L223 HydrophobicContact CD2-CD2 4.08Å; F35-L223 HydrophobicContact CD2-CG 4.47Å; F35-L223 HydrophobicContact CE2-CB 4.17Å; F35-L223 HydrophobicContact CE2-CD2 3.83Å; F35-L223 HydrophobicContact CE2-CG 3.8Å; I126-L223 HydrophobicContact CD1-CD2 3.76Å; I126-L223 HydrophobicContact CD1-CG 4.4Å; I126-L223 HydrophobicContact CG1-CD2 4.01Å; I126-L223 HydrophobicContact CG2-CD2 3.95Å; F169-L223 HydrophobicContact CB-CD1 3.61Å; F169-L223 HydrophobicContact CD1-CD1 3.76Å; F169-L223 HydrophobicContact CD2-CD1 3.55Å; F169-L223 HydrophobicContact CE1-CD1 4.31Å; F169-L223 HydrophobicContact CE2-CD1 4.11Å; F169-L223 HydrophobicContact CG-CD1 3.34Å; F169-L223 HydrophobicContact CZ-CD1 4.46Å; Y208-L223 HydrophobicContact CE2-CD1 4.37Å; C219-L223 WeakPolarHBondContact O-CB 3.25Å; C219-L223 PolarHBondContact O-N 3.47Å; L220-L223 PolarHBondContact O-N 3.18Å; E221-L223 VanDerWaalsContact C-N 3.32Å; E221-L223 PolarHBondContact O-N 2.91Å; L223-Q225 VanDerWaalsContact C-N 3.29Å; L223-Q225 PolarHBondContact O-N 3.32Å; L223-K226 PolarHBondContact O-N 2.99Å; L223-V227 WeakPolarHBondContact O-CG2 3.35Å; L223-V227 PolarHBondContact O-N 3.01Å
224V90.4Very high89.9Confident23 Ų2338.3 Ų38.314%0.13919%0.186CC..Hα-helixtrans-57.6-41.8175.6169.70000111.3F35 L38 R39 L220 E221 K226 V227F35-V224 HydrophobicContact CD2-CG2 3.77Å; F35-V224 HydrophobicContact CE1-CG2 4.44Å; F35-V224 HydrophobicContact CE2-CB 4.43Å; F35-V224 HydrophobicContact CE2-CG2 3.43Å; F35-V224 VanDerWaalsContact CE2-CG2 3.43Å; F35-V224 HydrophobicContact CG-CG2 4.43Å; F35-V224 HydrophobicContact CZ-CG2 3.81Å; L38-V224 HydrophobicContact CB-CG2 4.05Å; R39-V224 HydrophobicContact CB-CG2 4.44Å; L220-V224 WeakPolarHBondContact O-CG2 3.45Å; L220-V224 PolarHBondContact O-N 2.88Å; E221-V224 PolarHBondContact O-N 3.45Å; V224-K226 PolarHBondContact O-N 2.85Å; V224-V227 PolarHBondContact O-N 3.1Å
225Q87.9Confident90Very high139 Ų13932 Ų3265%0.6516%0.162SC*.Hα-helixtrans-65-25.5176.4-66.81775.400113.4E221 S222 L223 Q228E221-Q225 PolarHBondContact O-N 3.24Å; S222-Q225 PolarHBondContact O-N 3.31Å; L223-Q225 VanDerWaalsContact C-N 3.29Å; L223-Q225 PolarHBondContact O-N 3.32Å; Q225-Q228 WeakPolarHBondContact O-CG 3.47Å; Q225-Q228 PolarHBondContact O-NE2 3.32Å
226K87.5Confident90Very high60 Ų6033.3 Ų33.326%0.26117%0.168SC..Hα-helixtrans-85.6-12.1178.3-70.2177.5-176.2-177.70113.9R167 F169 Y208 S222 L223 V224 Q228R167-K226 PolarHBondContact NH1-O 2.69Å; F169-K226 HydrophobicContact CE1-CD 3.91Å; F169-K226 HydrophobicContact CZ-CB 4.06Å; F169-K226 HydrophobicContact CZ-CD 4.21Å; Y208-K226 WeakPolarHBondContact OH-CD 3.31Å; Y208-K226 PolarHBondContact OH-NZ 3.13Å; S222-K226 WeakPolarHBondContact O-CG 3.45Å; S222-K226 PolarHBondContact O-N 2.95Å; L223-K226 PolarHBondContact O-N 2.99Å; V224-K226 PolarHBondContact O-N 2.85Å; K226-Q228 PolarHBondContact O-N 2.81Å
227V85.8Confident89.9Confident9 Ų934.7 Ų34.76%0.05517%0.174CC..  trans-76.271.2173.6-172.50000110.5P2 L4 F35 R39 V124 L223 V224P2-V227 HydrophobicContact CB-CG1 4.26Å; P2-V227 HydrophobicContact CG-CG1 4.43Å; L4-V227 HydrophobicContact CD2-CG1 4.25Å; L4-V227 HydrophobicContact CD2-CG2 4.25Å; L4-V227 HydrophobicContact CG-CG1 4.5Å; F35-V227 HydrophobicContact CZ-CG2 4.16Å; R39-V227 PolarHBondContact NH1-O 3.41Å; V124-V227 HydrophobicContact CG1-CG2 4.45Å; V124-V227 HydrophobicContact CG2-CG1 4.17Å; V124-V227 HydrophobicContact CG2-CG2 4.36Å; L223-V227 WeakPolarHBondContact O-CG2 3.35Å; L223-V227 PolarHBondContact O-N 3.01Å; V224-V227 PolarHBondContact O-N 3.1Å
228Q83.6Confident89.4Confident84 Ų8432.8 Ų32.839%0.39317%0.165SC..  trans-113.4152.9177.4-54.4-170.222.800111.2R167 Q225 K226 Y273R167-Q228 PolarHBondContact NH2-O 3.19Å; Q225-Q228 WeakPolarHBondContact O-CG 3.47Å; Q225-Q228 PolarHBondContact O-NE2 3.32Å; K226-Q228 PolarHBondContact O-N 2.81Å; Q228-Y273 HydrophobicContact CB-CD1 4.3Å; Q228-Y273 HydrophobicContact CB-CE1 4.22Å
229S84.9Confident88.5Confident37 Ų3731.7 Ų31.726%0.25918%0.175SC..  trans-77.2120.5175.5-59.60000110.9V274S229-V274 PolarHBondContact O-N 3.06Å
230G86.5Confident87.4Confident1 Ų137 Ų371%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-174.6178178.900000112.6L271 I272G230-L271 VanDerWaalsContact C-CD1 3.48Å; G230-I272 CarbonylContact C-O 3.41Å; G230-I272 WeakPolarHBondContact CA-O 3.48Å
231V90.6Very high86.1Confident1 Ų141.5 Ų41.51%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-128.3131.6-175.8170.50000109.2P117 L120 W164 I233 I272 V274P117-V231 HydrophobicContact CB-CG2 4.5Å; L120-V231 HydrophobicContact CD2-CG2 3.71Å; L120-V231 HydrophobicContact CG-CG2 4.27Å; W164-V231 HydrophobicContact CB-CG1 4.03Å; W164-V231 HydrophobicContact CD2-CG1 3.34Å; W164-V231 HydrophobicContact CD2-CG2 4.4Å; W164-V231 HydrophobicContact CE3-CG1 3.15Å; W164-V231 HydrophobicContact CG-CG1 3.78Å; W164-V231 HydrophobicContact CH2-CG1 4.16Å; W164-V231 HydrophobicContact CZ2-CG1 4.34Å; W164-V231 HydrophobicContact CZ2-CG2 4.33Å; W164-V231 HydrophobicContact CZ3-CG1 3.6Å; V231-I233 HydrophobicContact CG1-CG1 4.22Å; V231-I272 PolarHBondContact N-O 3.4Å; V231-I272 PolarHBondContact O-N 2.86Å; V231-V274 HydrophobicContact CG2-CG2 4.39Å
232V92.6Very high84.6Confident1 Ų137.3 Ų37.31%0.00621%0.214CC..EExtended strand (participates in β ladder)trans-81.6128.2175.9-179.10000109.8W164 R167 H269 K270 L271 H308W164-V232 PolarHBondContact O-N 2.92Å; R167-V232 HydrophobicContact CG-CG2 4.22Å; V232-H269 HydrophobicContact CG1-CB 4.47Å; V232-K270 WeakPolarHBondContact CA-O 3.47Å; V232-L271 HydrophobicContact CG2-CD1 3.95Å; V232-H308 WeakPolarHBondContact CB-NE2 3.28Å; V232-H308 PolarHBondContact O-CD2 2.83Å
233I92.1Very high83Confident2 Ų240.9 Ų40.91%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-123.7141.3175.3-61.1-154.7000108.7V231 F235 H269 K270 I272 I289 P309 V311V231-I233 HydrophobicContact CG1-CG1 4.22Å; I233-F235 HydrophobicContact CB-CE2 4.05Å; I233-F235 HydrophobicContact CB-CZ 4.43Å; I233-F235 HydrophobicContact CG2-CD2 4.24Å; I233-F235 HydrophobicContact CG2-CE1 4.43Å; I233-F235 HydrophobicContact CG2-CE2 3.97Å; I233-F235 HydrophobicContact CG2-CZ 4.09Å; I233-H269 WeakPolarHBondContact O-CA 3.41Å; I233-K270 PolarHBondContact N-O 3.48Å; I233-K270 PolarHBondContact O-N 3.24Å; I233-I272 HydrophobicContact CB-CD1 4.03Å; I233-I272 HydrophobicContact CD1-CD1 3.5Å; I233-I272 HydrophobicContact CG1-CD1 3.73Å; I233-I272 HydrophobicContact CG1-CG1 4.29Å; I233-I289 HydrophobicContact CD1-CD1 3.35Å; I233-P309 HydrophobicContact CB-CG 4.44Å; I233-P309 HydrophobicContact CD1-CG 4.01Å; I233-P309 HydrophobicContact CG1-CG 3.93Å; I233-P309 HydrophobicContact CG2-CG 4.3Å; I233-V311 HydrophobicContact CG2-CB 3.84Å; I233-V311 HydrophobicContact CG2-CG2 3.53Å
234N92.4Very high81.2Confident12 Ų1248.1 Ų48.16%0.06427%0.274CS..EExtended strand (participates in β ladder)trans-90.5122.6168.1-17524.9000109.3P309 V310 V311N234-P309 PolarHBondContact N-O 2.95Å; N234-P309 VanDerWaalsContact N-O 3.09Å; N234-V310 HydrophobicContact CB-CG2 4.48Å; N234-V311 PolarHBondContact O-N 3.21Å
235F90.5Very high78.9Confident0 Ų051.2 Ų51.20%031%0.311CS..EExtended strand (participates in β ladder)trans-100.8118.4174.4-70-85.5000110.4I233 S267 C268 I272 V311 F313 L333 L338 L372I233-F235 HydrophobicContact CB-CE2 4.05Å; I233-F235 HydrophobicContact CB-CZ 4.43Å; I233-F235 HydrophobicContact CG2-CD2 4.24Å; I233-F235 HydrophobicContact CG2-CE1 4.43Å; I233-F235 HydrophobicContact CG2-CE2 3.97Å; I233-F235 HydrophobicContact CG2-CZ 4.09Å; F235-S267 CarbonylContact O-C 3.47Å; F235-S267 VanDerWaalsContact O-CA 3.27Å; F235-S267 WeakPolarHBondContact O-CA 3.47Å; F235-C268 PolarHBondContact N-O 2.84Å; F235-C268 PolarHBondContact O-N 2.89Å; F235-I272 HydrophobicContact CE2-CD1 4.1Å; F235-I272 HydrophobicContact CE2-CG1 4.41Å; F235-I272 HydrophobicContact CZ-CD1 3.74Å; F235-I272 HydrophobicContact CZ-CG1 4.46Å; F235-V311 CarbonylContact C-O 3.41Å; F235-V311 VanDerWaalsContact CA-O 3.3Å; F235-V311 WeakPolarHBondContact CA-O 3.32Å; F235-V311 HydrophobicContact CD1-CB 4.33Å; F235-V311 HydrophobicContact CD1-CG1 4.18Å; F235-V311 HydrophobicContact CE1-CB 4.45Å; F235-V311 HydrophobicContact CE1-CG1 4.12Å; F235-F313 HydrophobicContact CB-CD1 4.16Å; F235-F313 HydrophobicContact CB-CE1 4.17Å; F235-L333 HydrophobicContact CD2-CD1 4.47Å; F235-L333 HydrophobicContact CE2-CD1 3.75Å; F235-L333 HydrophobicContact CE2-CG 4.2Å; F235-L333 HydrophobicContact CZ-CD1 3.75Å; F235-L333 HydrophobicContact CZ-CG 4.46Å; F235-L338 HydrophobicContact CB-CD2 3.87Å; F235-L338 HydrophobicContact CD1-CD2 4.47Å; F235-L338 HydrophobicContact CG-CD2 4.08Å; F235-L372 HydrophobicContact CD1-CD1 4.3Å; F235-L372 HydrophobicContact CE1-CD1 4.24Å; F235-L372 HydrophobicContact CE1-CD2 4.01Å; F235-L372 HydrophobicContact CZ-CD2 4.36Å
236E90.6Very high76.6Confident51 Ų5148 Ų4824%0.23832%0.316CS..EExtended strand (participates in β ladder)trans-110.1137.3174.8-77.6178.3-170.400110.9H266 V310 V311 R312 F313E236-H266 CarbonylContact C-O 3.44Å; E236-V310 HydrophobicContact CB-CG1 4.37Å; E236-V310 HydrophobicContact CG-CG1 3.85Å; E236-V310 VanDerWaalsContact OE1-CG1 3.26Å; E236-V310 WeakPolarHBondContact OE1-CG1 3.18Å; E236-V310 WeakPolarHBondContact OE2-CG1 3.3Å; E236-V311 PolarHBondContact N-O 3.43Å; E236-R312 HydrophobicContact CB-CG 3.77Å; E236-R312 CarbonylContact O-C 3.57Å; E236-R312 WeakPolarHBondContact O-CA 3.5Å; E236-R312 IonicContact OE2-CZ 3.57Å; E236-R312 VanDerWaalsContact OE2-CZ 3.25Å; E236-R312 IonicContact OE2-NE 3.79Å; E236-R312 PolarHBondContact OE2-NE 2.83Å; E236-R312 IonicContact OE2-NH2 2.81Å; E236-R312 PolarHBondContact OE2-NH2 3.4Å; E236-F313 WeakPolarHBondContact O-CD1 3.17Å; E236-F313 PolarHBondContact O-N 2.96Å
237K88.3Confident74.8Confident30 Ų3054.2 Ų54.213%0.1335%0.346CS..EExtended strand (participates in β ladder)trans-73.9139.8172.5-173.3-177.5-175.1-178.20111.5D241 W265 H266 F313K237-D241 IonicContact NZ-OD1 3.46Å; K237-D241 PolarHBondContact NZ-OD1 3.24Å; K237-D241 IonicContact NZ-OD2 3.89Å; K237-D241 PolarHBondContact NZ-OD2 3.29Å; K237-W265 HydrophobicContact CD-CH2 3.93Å; K237-W265 HydrophobicContact CD-CZ3 3.9Å; K237-W265 VanDerWaalsContact CE-CH2 3.46Å; K237-H266 HydrophobicContact CB-CB 4.31Å; K237-H266 HydrophobicContact CD-CB 4.44Å; K237-H266 VanDerWaalsContact CD-CD2 3.5Å; K237-H266 WeakPolarHBondContact CD-CD2 3.48Å; K237-H266 PolarHBondContact N-O 2.74Å; K237-H266 PolarHBondContact NZ-CE1 3.4Å; K237-H266 PolarHBondContact NZ-NE2 2.93Å; K237-F313 HydrophobicContact CB-CE1 4.17Å; K237-F313 HydrophobicContact CB-CE2 4.23Å; K237-F313 HydrophobicContact CB-CZ 3.8Å; K237-F313 HydrophobicContact CG-CE2 4.2Å; K237-F313 HydrophobicContact CG-CZ 4.24Å
238T82.4Confident72.7Confident18 Ų1860.5 Ų60.511%0.1138%0.379CS..EExtended strand (participates in β ladder)trans-131.4145.1169.347.90000113.1R312 F313 L365T238-R312 HydrophobicContact CG2-CB 3.67Å; T238-R312 HydrophobicContact CG2-CG 3.64Å; T238-F313 PolarHBondContact N-O 3.47Å; T238-F313 PolarHBondContact OG1-O 2.91Å; T238-L365 HydrophobicContact CG2-CD1 4.14Å
239G72.9Confident70.3Confident56 Ų5663.9 Ų63.958%0.57740%0.4SS*.SBendtrans86.4179.7-176.100000112.8
240P68.5Low68.1Low110 Ų11067 Ų6771%0.71442%0.421SS*.SBendtrans-64.2155178.828.2-35000111.7
241D65.2Low66.1Low98 Ų9873.7 Ų73.752%0.52446%0.462SS..PPolyproline II helixtrans-55.9135.5171-77.840.4000110.4K237 H266K237-D241 IonicContact NZ-OD1 3.46Å; K237-D241 PolarHBondContact NZ-OD1 3.24Å; K237-D241 IonicContact NZ-OD2 3.89Å; K237-D241 PolarHBondContact NZ-OD2 3.29Å; D241-H266 IonicContact OD2-CE1 2.71Å; D241-H266 IonicContact OD2-NE2 3.22Å
242P61.4Low63.6Low11 Ų1182.6 Ų82.67%0.07150%0.504CS..PPolyproline II helixtrans-62.5139172.727.1-30.8000108.3L244 W265 C315 Y341P242-L244 PolarHBondContact O-N 2.79Å; P242-W265 HydrophobicContact CG-CH2 4.37Å; P242-C315 HydrophobicContact CB-CB 3.87Å; P242-C315 HydrophobicContact CG-CB 3.76Å; P242-Y341 HydrophobicContact CG-CE1 4.22Å
243P56Low60.7Low116 Ų11687.3 Ų87.375%0.75354%0.537SS*.PPolyproline II helixtrans-57.1135.1172.625.1-33.1000109G245P243-G245 PolarHBondContact O-N 2.84Å
244L54.5Low57.9Low151 Ų15193.2 Ų93.279%0.79158%0.578SS**  trans-65.4101.2173.2-69171.6000107.7P242 G246P242-L244 PolarHBondContact O-N 2.79Å; L244-G246 PolarHBondContact O-N 3.31Å; L244-G246 VanDerWaalsContact O-N 3.09Å
245G43.3Very low55.2Low88 Ų88102.4 Ų102.491%0.90761%0.611SS**  trans-69.7103.3-178.600000111.2P243P243-G245 PolarHBondContact O-N 2.84Å
246G40.1Very low52.3Low73 Ų73108.5 Ų108.575%0.75365%0.651SS**  trans176.890.1174.900000111.9L244L244-G246 PolarHBondContact O-N 3.31Å; L244-G246 VanDerWaalsContact O-N 3.09Å
247E47.8Very low49.8Very low190 Ų190111.7 Ų111.789%0.88867%0.674SS**  trans-79.3147.9158.3-78.3-179116.100110
248D42.1Very low47.1Very low140 Ų140113.9 Ų113.975%0.74969%0.693SS**  trans60.389.1168.7-63-13.6000120.2
249N34.6Very low45.2Very low156 Ų156119.4 Ų119.483%0.83473%0.727SS**  -169.313795.1-99.1-60.9000115.7
250S38.5Very low43.6Very low102 Ų102125.5 Ų125.571%0.71374%0.738SS**  trans46.4104.1156.966.50000121.8
251V44.6Very low42.3Very low142 Ų142126.1 Ų126.186%0.86174%0.735SS**  35.590.8127.3-163.80000118.5
252E36.4Very low41.8Very low188 Ų188126.6 Ų126.688%0.87974%0.743SS**  169117.7124.4-96.8-169.4167.500110.9
253S32Very low42.3Very low100 Ų100130.2 Ų130.270%0.69976%0.759SS**  trans168.990.5136.9-174.30000109.8R255S253-R255 VanDerWaalsContact C-N 3.32Å; S253-R255 PolarHBondContact O-N 2.88Å
254S34.7Very low43.2Very low125 Ų125128.9 Ų128.987%0.87475%0.751SS**  trans-7386.1166.954.70000110
255R33.9Very low44.4Very low205 Ų205122.9 Ų122.977%0.77472%0.717SS**  trans-129.2121.9159.7-73-171.4176.7-179.10.4109.1S253 V257S253-R255 VanDerWaalsContact C-N 3.32Å; S253-R255 PolarHBondContact O-N 2.88Å; R255-V257 PolarHBondContact O-N 3.28Å
256P31.6Very low46.1Very low129 Ų129120.3 Ų120.384%0.83868%0.682SS**  trans-66.5106.8172.827.6-32000108.4S258P256-S258 PolarHBondContact O-N 3.45Å
257V36.8Very low48.1Very low118 Ų118119.8 Ų119.872%0.71567%0.667SS**  trans-66.7107.6170.3178.50000106.7R255 T259R255-V257 PolarHBondContact O-N 3.28Å; V257-T259 PolarHBondContact O-N 2.97Å
258S32.5Very low49.7Very low75 Ų75111.1 Ų111.152%0.52463%0.627SS.*  trans-56.7114.1178-1800000109.9P256 F260P256-S258 PolarHBondContact O-N 3.45Å; S258-F260 PolarHBondContact O-N 3.34Å
259T41.3Very low51.6Low134 Ų134108.3 Ų108.382%0.82261%0.609SS**THydrogen-bonded Turntrans-68.19.1-176-22.60000114V257V257-T259 PolarHBondContact O-N 2.97Å
260F40Very low54Low185 Ų185103.3 Ų103.381%0.81158%0.58SS**THydrogen-bonded Turntrans-122.11.9-169.7-84.8-81.8000115.5S258S258-F260 PolarHBondContact O-N 3.34Å
261N40.5Very low56.4Low123 Ų12398.6 Ų98.666%0.65855%0.547SS*.SBendtrans-91.1120.8167.6-81.3-1.3000110.2Q263N261-Q263 PolarHBondContact O-N 3.17Å; N261-Q263 VanDerWaalsContact O-N 3.14Å
262P55.5Low58.6Low107 Ų10792 Ų9270%0.69551%0.507SS*.PPolyproline II helixtrans-64.9116.617426.6-32.5000109.4
263Q71.8Confident61.1Low87 Ų8784.7 Ų84.741%0.40747%0.471SS..PPolyproline II helixtrans-62.8147.9176.4-66.5-69.7-19.600110.1N261 W265 H266N261-Q263 PolarHBondContact O-N 3.17Å; N261-Q263 VanDerWaalsContact O-N 3.14Å; Q263-W265 HydrophobicContact CB-CG 4.34Å; Q263-W265 PolarHBondContact O-N 3.3Å; Q263-H266 WeakPolarHBondContact O-CB 3.3Å; Q263-H266 PolarHBondContact O-N 2.9Å
264P74.4Confident63.5Low88 Ų8880.1 Ų80.157%0.57144%0.439SS*.THydrogen-bonded Turntrans-66.2-2.7-177.227.3-35.8000114.5P337P264-P337 HydrophobicContact CB-CG 4.39Å
265W79.4Confident65.7Low25 Ų2582.7 Ų82.710%0.09543%0.43CS..THydrogen-bonded Turntrans-98.7-10.7169.871.1-94.3000114K237 P242 Q263 F313 P337 L338 Y341K237-W265 HydrophobicContact CD-CH2 3.93Å; K237-W265 HydrophobicContact CD-CZ3 3.9Å; K237-W265 VanDerWaalsContact CE-CH2 3.46Å; P242-W265 HydrophobicContact CG-CH2 4.37Å; Q263-W265 HydrophobicContact CB-CG 4.34Å; Q263-W265 PolarHBondContact O-N 3.3Å; W265-F313 HydrophobicContact CE3-CE2 4.36Å; W265-F313 HydrophobicContact CE3-CZ 4.12Å; W265-F313 AromaticContact CZ3-CE2 3.99Å; W265-F313 HydrophobicContact CZ3-CE2 3.99Å; W265-F313 HydrophobicContact CZ3-CZ 4.14Å; W265-P337 HydrophobicContact CB-CB 3.99Å; W265-L338 HydrophobicContact CB-CB 4.39Å; W265-L338 HydrophobicContact CE3-CD1 4.1Å; W265-Y341 AromaticContact CD2-CD1 3.98Å; W265-Y341 HydrophobicContact CD2-CD1 3.98Å; W265-Y341 HydrophobicContact CD2-CE1 4.4Å; W265-Y341 HydrophobicContact CD2-CG 4.3Å; W265-Y341 AromaticContact CE3-CD1 3.91Å; W265-Y341 HydrophobicContact CE3-CD1 3.91Å; W265-Y341 HydrophobicContact CE3-CE1 4.3Å; W265-Y341 AromaticContact CH2-CD1 3.96Å; W265-Y341 HydrophobicContact CH2-CD1 3.96Å; W265-Y341 AromaticContact CH2-CE1 3.48Å; W265-Y341 HydrophobicContact CH2-CE1 3.48Å; W265-Y341 VanDerWaalsContact CH2-CE1 3.48Å; W265-Y341 HydrophobicContact CZ2-CD1 4.05Å; W265-Y341 AromaticContact CZ2-CE1 3.61Å; W265-Y341 HydrophobicContact CZ2-CE1 3.61Å; W265-Y341 HydrophobicContact CZ2-CE2 4.48Å; W265-Y341 AromaticContact CZ2-CZ 3.86Å; W265-Y341 AromaticContact CZ3-CD1 3.91Å; W265-Y341 HydrophobicContact CZ3-CD1 3.91Å; W265-Y341 AromaticContact CZ3-CE1 3.86Å; W265-Y341 HydrophobicContact CZ3-CE1 3.86Å
266H79.2Confident67.7Low35 Ų3576.1 Ų76.116%0.16241%0.413CS..THydrogen-bonded Turntrans-74.5-27.7178.3-69.2-172.5000113E236 K237 D241 Q263E236-H266 CarbonylContact C-O 3.44Å; K237-H266 HydrophobicContact CB-CB 4.31Å; K237-H266 HydrophobicContact CD-CB 4.44Å; K237-H266 VanDerWaalsContact CD-CD2 3.5Å; K237-H266 WeakPolarHBondContact CD-CD2 3.48Å; K237-H266 PolarHBondContact N-O 2.74Å; K237-H266 PolarHBondContact NZ-CE1 3.4Å; K237-H266 PolarHBondContact NZ-NE2 2.93Å; D241-H266 IonicContact OD2-CE1 2.71Å; D241-H266 IonicContact OD2-NE2 3.22Å; Q263-H266 WeakPolarHBondContact O-CB 3.3Å; Q263-H266 PolarHBondContact O-N 2.9Å
267S82.2Confident69.7Low62 Ų6272.5 Ų72.543%0.43439%0.387SS..EExtended strand (participates in β ladder)trans-138.2120.4173-174.40000108.3F235F235-S267 CarbonylContact O-C 3.47Å; F235-S267 VanDerWaalsContact O-CA 3.27Å; F235-S267 WeakPolarHBondContact O-CA 3.47Å
268C80.9Confident71.3Confident8 Ų873.2 Ų73.25%0.05439%0.394CS..EExtended strand (participates in β ladder)trans-145.2126.9175.469.90000113.7F235 K270F235-C268 PolarHBondContact N-O 2.84Å; F235-C268 PolarHBondContact O-N 2.89Å; C268-K270 HydrophobicContact CB-CG 4.28Å
269H82.4Confident73.1Confident80 Ų8078.9 Ų78.937%0.3741%0.409SS..EExtended strand (participates in β ladder)trans-84.5113.8168.6-61.9-100.6000108.8V232 I233V232-H269 HydrophobicContact CG1-CB 4.47Å; I233-H269 WeakPolarHBondContact O-CA 3.41Å
270K86.1Confident74.6Confident52 Ų5276.5 Ų76.523%0.22639%0.394CS..EExtended strand (participates in β ladder)trans-140.7148.1-177-69.6-65.5157-176.20114.2V232 I233 C268 L333 S336V232-K270 WeakPolarHBondContact CA-O 3.47Å; I233-K270 PolarHBondContact N-O 3.48Å; I233-K270 PolarHBondContact O-N 3.24Å; C268-K270 HydrophobicContact CB-CG 4.28Å; K270-L333 HydrophobicContact CB-CD2 3.61Å; K270-L333 HydrophobicContact CG-CD2 4.15Å; K270-S336 VanDerWaalsContact CE-CB 3.49Å
271L88.1Confident75.9Confident3 Ų370.4 Ų70.42%0.01638%0.384CS..EExtended strand (participates in β ladder)trans-73.2135175.6-166.972.9000110.1G230 V232 Y273 E334G230-L271 VanDerWaalsContact C-CD1 3.48Å; V232-L271 HydrophobicContact CG2-CD1 3.95Å; L271-Y273 HydrophobicContact CD2-CD1 3.92Å; L271-Y273 HydrophobicContact CD2-CE1 3.62Å; L271-Y273 HydrophobicContact CG-CD1 4.5Å; L271-Y273 HydrophobicContact CG-CE1 4.45Å; L271-E334 HydrophobicContact CB-CB 4.06Å; L271-E334 WeakPolarHBondContact CB-OE2 3.21Å; L271-E334 PolarHBondContact N-OE2 2.87Å; L271-E334 VanDerWaalsContact O-CB 3.25Å; L271-E334 WeakPolarHBondContact O-CB 3.42Å; L271-E334 PolarHBondContact O-N 2.99Å
272I90.3Very high77.6Confident3 Ų368.7 Ų68.72%0.01538%0.378CS..EExtended strand (participates in β ladder)trans-106.4118.1168.4-63.1-170.1000107.2G230 V231 I233 F235 V274 Y331 E332 L383G230-I272 CarbonylContact C-O 3.41Å; G230-I272 WeakPolarHBondContact CA-O 3.48Å; V231-I272 PolarHBondContact N-O 3.4Å; V231-I272 PolarHBondContact O-N 2.86Å; I233-I272 HydrophobicContact CB-CD1 4.03Å; I233-I272 HydrophobicContact CD1-CD1 3.5Å; I233-I272 HydrophobicContact CG1-CD1 3.73Å; I233-I272 HydrophobicContact CG1-CG1 4.29Å; F235-I272 HydrophobicContact CE2-CD1 4.1Å; F235-I272 HydrophobicContact CE2-CG1 4.41Å; F235-I272 HydrophobicContact CZ-CD1 3.74Å; F235-I272 HydrophobicContact CZ-CG1 4.46Å; I272-V274 PolarHBondContact O-N 2.76Å; I272-Y331 HydrophobicContact CG2-CD2 4.41Å; I272-Y331 HydrophobicContact CG2-CG 3.88Å; I272-E332 CarbonylContact C-O 3.55Å; I272-E332 WeakPolarHBondContact CA-O 3.41Å; I272-L383 HydrophobicContact CD1-CB 4.49Å; I272-L383 HydrophobicContact CD1-CD2 3.59Å
273Y88.5Confident78.7Confident35 Ų3564.9 Ų64.914%0.13735%0.353CS..EExtended strand (participates in β ladder)trans-73.3123.6-177.6-59.3-65.2000111Q228 L271 E332 E334Q228-Y273 HydrophobicContact CB-CD1 4.3Å; Q228-Y273 HydrophobicContact CB-CE1 4.22Å; L271-Y273 HydrophobicContact CD2-CD1 3.92Å; L271-Y273 HydrophobicContact CD2-CE1 3.62Å; L271-Y273 HydrophobicContact CG-CD1 4.5Å; L271-Y273 HydrophobicContact CG-CE1 4.45Å; Y273-E332 HydrophobicContact CD2-CB 4.13Å; Y273-E332 HydrophobicContact CD2-CG 4.04Å; Y273-E332 WeakPolarHBondContact CD2-O 3.37Å; Y273-E332 PolarHBondContact N-O 3.09Å; Y273-E334 HydrophobicContact CE2-CB 4.17Å
274V84.1Confident79.1Confident4 Ų464.1 Ų64.12%0.02435%0.354CS..  trans-11287.6176.5-170.70000108.4P117 L120 S229 V231 I272 P283 Y331P117-V274 HydrophobicContact CB-CG2 4.39Å; L120-V274 HydrophobicContact CD1-CB 3.92Å; L120-V274 HydrophobicContact CD1-CG1 3.72Å; L120-V274 HydrophobicContact CD2-CB 3.97Å; L120-V274 HydrophobicContact CD2-CG2 4.16Å; S229-V274 PolarHBondContact O-N 3.06Å; V231-V274 HydrophobicContact CG2-CG2 4.39Å; I272-V274 PolarHBondContact O-N 2.76Å; V274-P283 HydrophobicContact CG1-CB 3.69Å; V274-Y331 HydrophobicContact CB-CD1 4.46Å; V274-Y331 HydrophobicContact CB-CE1 4.48Å; V274-Y331 HydrophobicContact CG1-CD1 4.28Å; V274-Y331 HydrophobicContact CG1-CE1 3.87Å; V274-Y331 HydrophobicContact CG2-CD1 3.94Å; V274-Y331 HydrophobicContact CG2-CE1 4.06Å
275R79.8Confident79.5Confident179 Ų17960.1 Ų60.168%0.67533%0.329SS*.PPolyproline II helixtrans-71131.3-177.5-60.8-174.1-176.5-147.13.2110E332R275-E332 IonicContact CZ-OE2 3.01Å; R275-E332 IonicContact NE-OE2 3.34Å; R275-E332 PolarHBondContact NE-OE2 2.97Å; R275-E332 IonicContact NH2-OE1 3.39Å; R275-E332 IonicContact NH2-OE2 2.85Å; R275-E332 PolarHBondContact NH2-OE2 3.42Å
276P75.7Confident79.8Confident66 Ų6661 Ų6143%0.42933%0.334SS..PPolyproline II helixtrans-59.5144.9172.2-22.533.4000111.7
277N75.1Confident80.4Confident54 Ų5459.5 Ų59.529%0.28933%0.327SS..PPolyproline II helixtrans-71.1126.4176.1178-24.5000109.5K279 T280 G281 V282 V284N277-K279 PolarHBondContact O-N 3.31Å; N277-K279 VanDerWaalsContact O-N 3.08Å; N277-K279 PolarHBondContact OD1-N 3.03Å; N277-T280 WeakPolarHBondContact CB-OG1 3.4Å; N277-T280 PolarHBondContact O-N 2.87Å; N277-T280 VanDerWaalsContact O-N 3.15Å; N277-G281 PolarHBondContact O-N 3.03Å; N277-V282 WeakPolarHBondContact CB-O 3.39Å; N277-V282 PolarHBondContact N-O 3.23Å; N277-V282 VanDerWaalsContact N-O 3.09Å; N277-V284 HydrophobicContact CB-CG2 3.97Å
278P70.6Confident80.8Confident132 Ų13256.6 Ų56.686%0.85731%0.307SS*.THydrogen-bonded Turntrans-61.8-20.7-176.124.9-35.4000114
279K70.2Confident81.4Confident194 Ų19456.3 Ų56.384%0.84331%0.305SS*.THydrogen-bonded Turntrans-84.1-26.3178.6-64.6-176177.5-179.20114N277N277-K279 PolarHBondContact O-N 3.31Å; N277-K279 VanDerWaalsContact O-N 3.08Å; N277-K279 PolarHBondContact OD1-N 3.03Å
280T71.3Confident81.8Confident84 Ų8452.6 Ų52.652%0.51529%0.288SS..THydrogen-bonded Turntrans-120.3-11.4-173.457.60000113.8N277 V282N277-T280 WeakPolarHBondContact CB-OG1 3.4Å; N277-T280 PolarHBondContact O-N 2.87Å; N277-T280 VanDerWaalsContact O-N 3.15Å; T280-V282 PolarHBondContact O-N 2.89Å; T280-V282 VanDerWaalsContact O-N 3.12Å; T280-V282 PolarHBondContact OG1-O 2.91Å
281G68.4Low82Confident57 Ų5750.1 Ų50.159%0.58828%0.277SS*.SBendtrans69.7-0.6-176.900000114.7N277N277-G281 PolarHBondContact O-N 3.03Å
282V76.1Confident82Confident88 Ų8852.4 Ų52.453%0.53329%0.293SS..SBendtrans-120.9139.5-177-177.30000108.3N277 T280 V284N277-V282 WeakPolarHBondContact CB-O 3.39Å; N277-V282 PolarHBondContact N-O 3.23Å; N277-V282 VanDerWaalsContact N-O 3.09Å; T280-V282 PolarHBondContact O-N 2.89Å; T280-V282 VanDerWaalsContact O-N 3.12Å; T280-V282 PolarHBondContact OG1-O 2.91Å; V282-V284 PolarHBondContact O-N 3.34Å
283P79.4Confident81.9Confident27 Ų2753.4 Ų53.418%0.17530%0.298CS..  trans-57.8132.4170.125.7-36.4000110.7F118 L120 V274F118-P283 HydrophobicContact CB-CB 4.22Å; F118-P283 WeakPolarHBondContact O-CG 3.29Å; L120-P283 HydrophobicContact CD1-CB 4.06Å; L120-P283 HydrophobicContact CD1-CG 3.61Å; V274-P283 HydrophobicContact CG1-CB 3.69Å
284V78.4Confident81.7Confident70 Ų7054.1 Ų54.142%0.42430%0.3SS..  trans-116.9125.1177.9-179.50000107.5N277 V282N277-V284 HydrophobicContact CB-CG2 3.97Å; V282-V284 PolarHBondContact O-N 3.34Å
285G82.9Confident81.6Confident5 Ų554.1 Ų54.15%0.05230%0.3CS..  trans-134.5175.7166.200000111.8F118 D329F118-G285 VanDerWaalsContact CD1-CA 3.4Å; G285-D329 VanDerWaalsContact CA-OD1 3.25Å; G285-D329 WeakPolarHBondContact CA-OD1 3.3Å
286H86.3Confident81.6Confident44 Ų4449.2 Ų49.220%0.20429%0.287CS..SBendtrans-124.9-37.3-171.3-55.487.6000111.8P327 D329 P430H286-P327 HydrophobicContact CB-CB 4.31Å; H286-P327 VanDerWaalsContact CD2-CB 3.48Å; H286-P327 WeakPolarHBondContact CD2-CB 3.46Å; H286-D329 IonicContact CE1-OD1 2.64Å; H286-D329 IonicContact CG-OD1 2.88Å; H286-D329 VanDerWaalsContact N-CG 3.3Å; H286-D329 PolarHBondContact N-OD1 2.94Å; H286-D329 PolarHBondContact N-OD2 2.83Å; H286-D329 IonicContact ND1-OD1 2.68Å; H286-D329 PolarHBondContact ND1-OD1 2.91Å; H286-P430 WeakPolarHBondContact O-CB 3.24Å
287W91.1Very high81.8Confident2 Ų252.3 Ų52.31%0.00830%0.296CS..  trans-117.1126.3-170.6-55.8107.3000111.3P327 D329 V385 P387 Y427 P430 L431 A434W287-P327 PolarHBondContact NE1-O 2.94Å; W287-D329 PolarHBondContact N-OD2 3.13Å; W287-V385 HydrophobicContact CB-CG1 3.88Å; W287-P387 HydrophobicContact CD2-CG 4.36Å; W287-P387 HydrophobicContact CE3-CB 4.44Å; W287-P387 HydrophobicContact CE3-CG 4.45Å; W287-P387 HydrophobicContact CH2-CB 4.16Å; W287-P387 HydrophobicContact CH2-CG 3.71Å; W287-P387 HydrophobicContact CZ2-CB 4.47Å; W287-P387 HydrophobicContact CZ2-CG 3.6Å; W287-P387 HydrophobicContact CZ3-CB 4.14Å; W287-P387 HydrophobicContact CZ3-CG 4.14Å; W287-Y427 HydrophobicContact CE3-CD1 4.17Å; W287-Y427 HydrophobicContact CE3-CE1 4.45Å; W287-P430 HydrophobicContact CE3-CB 3.87Å; W287-P430 HydrophobicContact CZ3-CB 3.87Å; W287-L431 HydrophobicContact CH2-CB 4.38Å; W287-L431 HydrophobicContact CH2-CD1 4.02Å; W287-L431 HydrophobicContact CZ3-CB 4.24Å; W287-L431 HydrophobicContact CZ3-CD1 4.49Å; W287-A434 HydrophobicContact CH2-CB 3.73Å; W287-A434 HydrophobicContact CZ2-CB 3.64Å
288P91.5Very high82Confident2 Ų256.3 Ų56.31%0.01332%0.318CS..PPolyproline II helixtrans-67.3158.5166.526.2-30.1000110.7R115 N116 Y427 P430R115-P288 CarbonylContact O-C 3.57Å; R115-P288 WeakPolarHBondContact O-CA 3.46Å; N116-P288 WeakPolarHBondContact OD1-CB 3.47Å; P288-Y427 HydrophobicContact CG-CD1 4.14Å; P288-Y427 HydrophobicContact CG-CE1 3.74Å; P288-Y427 HydrophobicContact CG-CE2 4.4Å; P288-Y427 PolarHBondContact O-OH 3.06Å; P288-P430 HydrophobicContact CG-CG 4.49Å
289I92.8Very high82.5Confident2 Ų251.5 Ų51.51%0.0129%0.287CS..BIsolated β-bridgetrans-77.5136.3158.4-60.9-176.4000107.2R115 P117 W164 I233 P309 V356 F369R115-I289 HydrophobicContact CB-CB 4.45Å; R115-I289 PolarHBondContact N-O 3.06Å; R115-I289 PolarHBondContact O-N 2.85Å; P117-I289 HydrophobicContact CG-CD1 3.8Å; P117-I289 HydrophobicContact CG-CG1 3.88Å; W164-I289 HydrophobicContact CZ3-CD1 4.46Å; I233-I289 HydrophobicContact CD1-CD1 3.35Å; I289-P309 HydrophobicContact CG2-CB 4.5Å; I289-V356 HydrophobicContact CG2-CG2 4.35Å; I289-F369 HydrophobicContact CB-CE2 4.4Å; I289-F369 HydrophobicContact CG1-CE2 4.15Å; I289-F369 HydrophobicContact CG2-CE2 4.05Å; I289-F369 HydrophobicContact CG2-CZ 4.17Å
290P90.9Very high83.1Confident1 Ų146.7 Ų46.71%0.00628%0.275CS..PPolyproline II helixtrans-69.8154.4-175.226.5-31000111.7V356 F369 Y388 Y427P290-V356 HydrophobicContact CG-CB 3.96Å; P290-V356 HydrophobicContact CG-CG2 3.73Å; P290-F369 HydrophobicContact CG-CB 4.15Å; P290-F369 HydrophobicContact CG-CD1 3.94Å; P290-F369 HydrophobicContact CG-CD2 4.31Å; P290-F369 HydrophobicContact CG-CE1 4.48Å; P290-F369 HydrophobicContact CG-CG 3.85Å; P290-Y388 HydrophobicContact CB-CD2 4.14Å; P290-Y388 HydrophobicContact CB-CE2 4.19Å; P290-Y388 HydrophobicContact CG-CD2 4.26Å; P290-Y388 HydrophobicContact CG-CE2 4.34Å; P290-Y427 WeakPolarHBondContact CA-OH 3.36Å; P290-Y427 HydrophobicContact CB-CE2 4.01Å; P290-Y427 WeakPolarHBondContact CD-OH 3.22Å; P290-Y427 VanDerWaalsContact N-OH 3.11Å
291E90.5Very high83.7Confident0 Ų047.7 Ų47.70%028%0.282CS..PPolyproline II helixtrans-67.8151.4170.6-66-51.7133.100112G114 R115 F293 R305 S359 Y426G114-E291 WeakPolarHBondContact CA-OE1 3.37Å; G114-E291 PolarHBondContact N-OE1 3.32Å; R115-E291 WeakPolarHBondContact CG-OE1 3.44Å; R115-E291 PolarHBondContact N-OE1 3.38Å; E291-F293 HydrophobicContact CB-CD1 3.95Å; E291-F293 HydrophobicContact CB-CE1 3.97Å; E291-F293 HydrophobicContact CB-CG 4.41Å; E291-F293 HydrophobicContact CB-CZ 4.44Å; E291-F293 WeakPolarHBondContact CB-O 3.43Å; E291-F293 HydrophobicContact CG-CD1 4.48Å; E291-F293 HydrophobicContact CG-CE1 3.99Å; E291-F293 HydrophobicContact CG-CZ 4.19Å; E291-F293 PolarHBondContact O-N 3.01Å; E291-F293 VanDerWaalsContact O-N 3.16Å; E291-R305 VanDerWaalsContact CD-NH2 3.33Å; E291-R305 IonicContact OE1-CZ 2.78Å; E291-R305 IonicContact OE1-NE 3.63Å; E291-R305 PolarHBondContact OE1-NE 2.92Å; E291-R305 IonicContact OE1-NH2 3.63Å; E291-R305 PolarHBondContact OE1-NH2 3.43Å; E291-R305 IonicContact OE2-CZ 2.64Å; E291-R305 IonicContact OE2-NE 2.75Å; E291-R305 PolarHBondContact OE2-NE 3.18Å; E291-R305 IonicContact OE2-NH2 3.67Å; E291-S359 WeakPolarHBondContact O-CA 3.44Å; E291-S359 WeakPolarHBondContact O-CB 3.42Å; E291-Y426 HydrophobicContact CG-CE1 4.45Å; E291-Y426 PolarHBondContact N-OH 2.99Å
292S88.4Confident84.6Confident52 Ų5246 Ų4636%0.36426%0.259SS..SBendtrans-80.525.4169.665.10000113S357 S358S292-S357 WeakPolarHBondContact CA-O 3.41Å; S292-S358 WeakPolarHBondContact O-CB 3.48Å
293F87.9Confident85.2Confident24 Ų2444.8 Ų44.811%0.10525%0.253CS..SBendtrans-158.5156.9175.467.9-88.7000109.3E291 P295 L302 P303 S358E291-F293 HydrophobicContact CB-CD1 3.95Å; E291-F293 HydrophobicContact CB-CE1 3.97Å; E291-F293 HydrophobicContact CB-CG 4.41Å; E291-F293 HydrophobicContact CB-CZ 4.44Å; E291-F293 WeakPolarHBondContact CB-O 3.43Å; E291-F293 HydrophobicContact CG-CD1 4.48Å; E291-F293 HydrophobicContact CG-CE1 3.99Å; E291-F293 HydrophobicContact CG-CZ 4.19Å; E291-F293 PolarHBondContact O-N 3.01Å; E291-F293 VanDerWaalsContact O-N 3.16Å; F293-P295 HydrophobicContact CE2-CB 4.34Å; F293-L302 HydrophobicContact CE2-CD2 4.11Å; F293-L302 HydrophobicContact CZ-CD2 4.29Å; F293-P303 HydrophobicContact CB-CG 4.35Å; F293-P303 HydrophobicContact CD1-CB 4.34Å; F293-P303 HydrophobicContact CD1-CG 4.42Å; F293-P303 HydrophobicContact CD2-CG 3.93Å; F293-P303 HydrophobicContact CE2-CG 4.33Å; F293-P303 HydrophobicContact CG-CB 4.35Å; F293-P303 HydrophobicContact CG-CG 3.99Å; F293-S358 CarbonylContact C-O 3.47Å; F293-S358 WeakPolarHBondContact CA-O 3.38Å
294W85.2Confident85.7Confident50 Ų5046.3 Ų46.319%0.18926%0.263CS..  trans-88.7121.7172-170.3-81.1000110.8D296 K361 M423 P424W294-D296 PolarHBondContact O-N 3.46Å; W294-K361 HydrophobicContact CD2-CD 4.4Å; W294-K361 HydrophobicContact CD2-CG 3.53Å; W294-K361 HydrophobicContact CE3-CG 3.82Å; W294-K361 HydrophobicContact CG-CG 3.93Å; W294-K361 HydrophobicContact CH2-CG 4.18Å; W294-K361 HydrophobicContact CZ2-CD 4.19Å; W294-K361 VanDerWaalsContact CZ2-CE 3.43Å; W294-K361 HydrophobicContact CZ2-CG 4.01Å; W294-K361 HydrophobicContact CZ3-CG 4.13Å; W294-M423 VanDerWaalsContact CH2-C 3.47Å; W294-M423 VanDerWaalsContact CH2-O 3.31Å; W294-M423 WeakPolarHBondContact CH2-O 3.14Å; W294-P424 HydrophobicContact CE3-CG 4.36Å; W294-P424 HydrophobicContact CH2-CB 4.4Å; W294-P424 HydrophobicContact CH2-CG 4.4Å; W294-P424 HydrophobicContact CZ3-CB 4.26Å; W294-P424 HydrophobicContact CZ3-CG 3.9Å
295P81.8Confident86.3Confident4 Ų443.6 Ų43.63%0.02625%0.245CC..  trans-72.4115.5173.228.1-31000109.9F293 Y426 L452F293-P295 HydrophobicContact CE2-CB 4.34Å; P295-Y426 HydrophobicContact CG-CD1 3.74Å; P295-Y426 HydrophobicContact CG-CE1 3.64Å; P295-L452 HydrophobicContact CB-CD2 4.07Å
296D79.3Confident86.7Confident76 Ų7644.7 Ų44.741%0.40625%0.252SS..  trans-94.5133171.6-172.58.8000110.3W294 N298 S299W294-D296 PolarHBondContact O-N 3.46Å; D296-N298 PolarHBondContact O-N 2.97Å; D296-N298 PolarHBondContact OD1-N 2.84Å; D296-N298 PolarHBondContact OD1-ND2 3.27Å; D296-S299 WeakPolarHBondContact O-CB 3.39Å; D296-S299 PolarHBondContact O-N 3.08Å; D296-S299 VanDerWaalsContact O-N 3.08Å; D296-S299 PolarHBondContact O-OG 2.98Å
297Q79.3Confident86.8Confident131 Ų13142.8 Ų42.861%0.61224%0.244SC*.THydrogen-bonded Turntrans-66.9-19.7179.1-168.4172.61600112.3S453Q297-S453 VanDerWaalsContact O-CB 3.25Å; Q297-S453 WeakPolarHBondContact O-CB 3.41Å
298N80.6Confident86.8Confident138 Ų13843.1 Ų43.174%0.73825%0.245SC*.THydrogen-bonded Turntrans-85.9-10.1174.7-56.5-53.6000113.5D296D296-N298 PolarHBondContact O-N 2.97Å; D296-N298 PolarHBondContact OD1-N 2.84Å; D296-N298 PolarHBondContact OD1-ND2 3.27Å
299S81.3Confident86.9Confident30 Ų3043.2 Ų43.221%0.2125%0.246CC..  trans-75.2128-17866.10000111.7D296 S453D296-S299 WeakPolarHBondContact O-CB 3.39Å; D296-S299 PolarHBondContact O-N 3.08Å; D296-S299 VanDerWaalsContact O-N 3.08Å; D296-S299 PolarHBondContact O-OG 2.98Å; S299-S453 VanDerWaalsContact O-CB 3.3Å; S299-S453 WeakPolarHBondContact O-CB 3.32Å; S299-S453 PolarHBondContact O-OG 3.29Å
300P82.2Confident86.8Confident93 Ų9345.3 Ų45.360%0.60426%0.259SS*.SBendtrans-80-22.1179.731.4-34.9000112.9V456P300-V456 WeakPolarHBondContact O-CG2 3.37Å
301T84.3Confident86.8Confident106 Ų10645.3 Ų45.365%0.6526%0.259SS*.SBendtrans-132.6154.6-176.952.40000110.6
302L86.9Confident86.8Confident21 Ų2148.8 Ų48.811%0.1127%0.272CS..PPolyproline II helixtrans-97.6142.2176-69.3178.4000111.2L157 F293 L452 V456L157-L302 HydrophobicContact CD2-CB 4.29Å; F293-L302 HydrophobicContact CE2-CD2 4.11Å; F293-L302 HydrophobicContact CZ-CD2 4.29Å; L302-L452 HydrophobicContact CD2-CD2 4.28Å; L302-V456 HydrophobicContact CD1-CG1 3.61Å; L302-V456 HydrophobicContact CD2-CG1 4.23Å; L302-V456 HydrophobicContact CD2-CG2 4.47Å; L302-V456 HydrophobicContact CG-CG1 3.73Å; L302-V456 HydrophobicContact CG-CG2 4.11Å
303P89Confident86.9Confident62 Ų6246.3 Ų46.340%0.40326%0.255SS..PPolyproline II helixtrans-61.8145.7168.9-22.634.1000112.5F293 R305F293-P303 HydrophobicContact CB-CG 4.35Å; F293-P303 HydrophobicContact CD1-CB 4.34Å; F293-P303 HydrophobicContact CD1-CG 4.42Å; F293-P303 HydrophobicContact CD2-CG 3.93Å; F293-P303 HydrophobicContact CE2-CG 4.33Å; F293-P303 HydrophobicContact CG-CB 4.35Å; F293-P303 HydrophobicContact CG-CG 3.99Å; P303-R305 PolarHBondContact O-N 3.39Å
304P89Confident86.9Confident59 Ų5946.3 Ų46.338%0.38326%0.257SS..PPolyproline II helixtrans-69.6128.5178.427.5-34.4000111.8L157 K159L157-P304 WeakPolarHBondContact O-CA 3.44Å; K159-P304 WeakPolarHBondContact CE-O 3.18Å; K159-P304 HydrophobicContact CG-CB 3.97Å; K159-P304 HydrophobicContact CG-CG 4.24Å
305R90.9Very high86.9Confident14 Ų1444.4 Ų44.45%0.05325%0.252CS..BIsolated β-bridgetrans-72.3145.5174.9-74.3-178.6169.3159.2-5.4111.3N110 Y111 G114 L157 T158 K159 E291 P303N110-R305 PolarHBondContact O-NH2 2.87Å; Y111-R305 HydrophobicContact CD1-CG 4.39Å; G114-R305 PolarHBondContact O-NH2 2.98Å; L157-R305 PolarHBondContact O-N 3.23Å; T158-R305 CarbonylContact C-O 3.58Å; T158-R305 VanDerWaalsContact CA-O 3.3Å; T158-R305 WeakPolarHBondContact CA-O 3.45Å; K159-R305 PolarHBondContact N-O 2.73Å; E291-R305 VanDerWaalsContact CD-NH2 3.33Å; E291-R305 IonicContact OE1-CZ 2.78Å; E291-R305 IonicContact OE1-NE 3.63Å; E291-R305 PolarHBondContact OE1-NE 2.92Å; E291-R305 IonicContact OE1-NH2 3.63Å; E291-R305 PolarHBondContact OE1-NH2 3.43Å; E291-R305 IonicContact OE2-CZ 2.64Å; E291-R305 IonicContact OE2-NE 2.75Å; E291-R305 PolarHBondContact OE2-NE 3.18Å; E291-R305 IonicContact OE2-NH2 3.67Å; P303-R305 PolarHBondContact O-N 3.39Å
306S91Very high87.1Confident27 Ų2748.9 Ų48.919%0.18928%0.278CS..PPolyproline II helixtrans-66.9149.6153.656.60000110R115 H308R115-S306 VanDerWaalsContact CZ-O 3.25Å; R115-S306 PolarHBondContact NH1-O 3.46Å; R115-S306 PolarHBondContact NH2-O 3.3Å; R115-S306 PolarHBondContact NH2-OG 3.26Å; S306-H308 VanDerWaalsContact CB-O 3.31Å; S306-H308 WeakPolarHBondContact CB-O 3.31Å; S306-H308 PolarHBondContact OG-O 3.29Å
307A89.1Confident87.3Confident5 Ų548.5 Ų48.54%0.04128%0.276CS..SBendtrans-59.8-58.8169.300000109.5R115 E160 F162R115-A307 PolarHBondContact NH1-O 3.01Å; E160-A307 HydrophobicContact CB-CB 4.07Å; E160-A307 WeakPolarHBondContact OE2-CB 3.26Å; E160-A307 PolarHBondContact OE2-N 3.32Å; F162-A307 HydrophobicContact CD2-CB 3.67Å; F162-A307 HydrophobicContact CE2-CB 3.47Å; F162-A307 VanDerWaalsContact CE2-CB 3.47Å; F162-A307 HydrophobicContact CZ-CB 4.3Å; F162-A307 VanDerWaalsContact O-CB 3.3Å; F162-A307 WeakPolarHBondContact O-CB 3.41Å
308H92.1Very high87.5Confident9 Ų943.9 Ų43.94%0.04226%0.258CS..SBendtrans-83.1126.8176.3-61.1135.1000111.7F162 V202 V232 S306F162-H308 AromaticContact CE2-CE1 3.44Å; F162-H308 VanDerWaalsContact CE2-CE1 3.44Å; F162-H308 WeakPolarHBondContact CE2-CE1 3.39Å; F162-H308 AromaticContact CE2-ND1 3.84Å; F162-H308 AromaticContact CE2-NE2 4Å; V202-H308 PolarHBondContact O-CE1 3.31Å; V202-H308 PolarHBondContact O-ND1 3.4Å; V232-H308 WeakPolarHBondContact CB-NE2 3.28Å; V232-H308 PolarHBondContact O-CD2 2.83Å; S306-H308 VanDerWaalsContact CB-O 3.31Å; S306-H308 WeakPolarHBondContact CB-O 3.31Å; S306-H308 PolarHBondContact OG-O 3.29Å
309P91.9Very high87.6Confident4 Ų444.3 Ų44.33%0.02626%0.256CS..  trans-69.4134.5170.429-31.5000109.1W164 I233 N234 I289 V311W164-P309 HydrophobicContact CE3-CG 4.02Å; W164-P309 HydrophobicContact CZ3-CG 4.31Å; I233-P309 HydrophobicContact CB-CG 4.44Å; I233-P309 HydrophobicContact CD1-CG 4.01Å; I233-P309 HydrophobicContact CG1-CG 3.93Å; I233-P309 HydrophobicContact CG2-CG 4.3Å; N234-P309 PolarHBondContact N-O 2.95Å; N234-P309 VanDerWaalsContact N-O 3.09Å; I289-P309 HydrophobicContact CG2-CB 4.5Å; P309-V311 PolarHBondContact O-N 2.85Å
310V91.2Very high87.6Confident46 Ų4643.9 Ų43.928%0.27925%0.252SS..EExtended strand (participates in β ladder)trans-90.2103.3174.1-179.10000108N234 E236N234-V310 HydrophobicContact CB-CG2 4.48Å; E236-V310 HydrophobicContact CB-CG1 4.37Å; E236-V310 HydrophobicContact CG-CG1 3.85Å; E236-V310 VanDerWaalsContact OE1-CG1 3.26Å; E236-V310 WeakPolarHBondContact OE1-CG1 3.18Å; E236-V310 WeakPolarHBondContact OE2-CG1 3.3Å
311V91.9Very high87.4Confident0 Ų043.3 Ų43.30%024%0.243CC..EExtended strand (participates in β ladder)trans-99.5118.8179.5174.80000108.1I233 N234 F235 E236 P309 V354 V356 F369I233-V311 HydrophobicContact CG2-CB 3.84Å; I233-V311 HydrophobicContact CG2-CG2 3.53Å; N234-V311 PolarHBondContact O-N 3.21Å; F235-V311 CarbonylContact C-O 3.41Å; F235-V311 VanDerWaalsContact CA-O 3.3Å; F235-V311 WeakPolarHBondContact CA-O 3.32Å; F235-V311 HydrophobicContact CD1-CB 4.33Å; F235-V311 HydrophobicContact CD1-CG1 4.18Å; F235-V311 HydrophobicContact CE1-CB 4.45Å; F235-V311 HydrophobicContact CE1-CG1 4.12Å; E236-V311 PolarHBondContact N-O 3.43Å; P309-V311 PolarHBondContact O-N 2.85Å; V311-V354 HydrophobicContact CG1-CB 3.69Å; V311-V354 HydrophobicContact CG1-CG1 4.09Å; V311-V354 HydrophobicContact CG1-CG2 4.19Å; V311-V356 HydrophobicContact CG2-CG2 4.34Å; V311-F369 HydrophobicContact CG1-CE1 4.1Å; V311-F369 HydrophobicContact CG1-CZ 3.92Å; V311-F369 HydrophobicContact CG2-CZ 4.05Å
312R90.4Very high87Confident74 Ų7443.7 Ų43.728%0.27924%0.244SC..EExtended strand (participates in β ladder)trans-92.7138.8178.9-79.3165176.4-164.9-7.1110.7E236 T238 V354 F355 S357E236-R312 HydrophobicContact CB-CG 3.77Å; E236-R312 CarbonylContact O-C 3.57Å; E236-R312 WeakPolarHBondContact O-CA 3.5Å; E236-R312 IonicContact OE2-CZ 3.57Å; E236-R312 VanDerWaalsContact OE2-CZ 3.25Å; E236-R312 IonicContact OE2-NE 3.79Å; E236-R312 PolarHBondContact OE2-NE 2.83Å; E236-R312 IonicContact OE2-NH2 2.81Å; E236-R312 PolarHBondContact OE2-NH2 3.4Å; T238-R312 HydrophobicContact CG2-CB 3.67Å; T238-R312 HydrophobicContact CG2-CG 3.64Å; R312-V354 CarbonylContact O-C 3.58Å; R312-V354 VanDerWaalsContact O-CA 3.26Å; R312-V354 WeakPolarHBondContact O-CA 3.33Å; R312-F355 PolarHBondContact N-O 3.25Å; R312-F355 WeakPolarHBondContact O-CD2 3.36Å; R312-F355 PolarHBondContact O-N 3.36Å; R312-S357 VanDerWaalsContact CD-OG 3.22Å; R312-S357 WeakPolarHBondContact CD-OG 3.33Å; R312-S357 VanDerWaalsContact CZ-OG 3.27Å; R312-S357 PolarHBondContact NE-OG 3.43Å; R312-S357 PolarHBondContact NH1-OG 3.46Å
313F90.3Very high86.5Confident0 Ų043.5 Ų43.50%024%0.243CC..EExtended strand (participates in β ladder)trans-122.3139.217868.7-89000111.4F235 E236 K237 T238 W265 L338 W352 Q353 V354 L372F235-F313 HydrophobicContact CB-CD1 4.16Å; F235-F313 HydrophobicContact CB-CE1 4.17Å; E236-F313 WeakPolarHBondContact O-CD1 3.17Å; E236-F313 PolarHBondContact O-N 2.96Å; K237-F313 HydrophobicContact CB-CE1 4.17Å; K237-F313 HydrophobicContact CB-CE2 4.23Å; K237-F313 HydrophobicContact CB-CZ 3.8Å; K237-F313 HydrophobicContact CG-CE2 4.2Å; K237-F313 HydrophobicContact CG-CZ 4.24Å; T238-F313 PolarHBondContact N-O 3.47Å; T238-F313 PolarHBondContact OG1-O 2.91Å; W265-F313 HydrophobicContact CE3-CE2 4.36Å; W265-F313 HydrophobicContact CE3-CZ 4.12Å; W265-F313 AromaticContact CZ3-CE2 3.99Å; W265-F313 HydrophobicContact CZ3-CE2 3.99Å; W265-F313 HydrophobicContact CZ3-CZ 4.14Å; F313-L338 HydrophobicContact CD1-CD2 4.45Å; F313-L338 HydrophobicContact CE1-CD1 4.09Å; F313-L338 HydrophobicContact CE1-CD2 4Å; F313-L338 HydrophobicContact CE2-CD1 3.83Å; F313-L338 HydrophobicContact CZ-CD1 3.51Å; F313-L338 HydrophobicContact CZ-CD2 4.29Å; F313-W352 AromaticContact CD2-CE3 3.97Å; F313-W352 HydrophobicContact CD2-CE3 3.97Å; F313-W352 HydrophobicContact CD2-CZ3 4.48Å; F313-W352 HydrophobicContact CE2-CE3 4.15Å; F313-W352 HydrophobicContact CE2-CZ3 4.2Å; F313-Q353 WeakPolarHBondContact CA-O 3.37Å; F313-V354 HydrophobicContact CB-CG1 3.95Å; F313-L372 HydrophobicContact CB-CD1 4.25Å; F313-L372 HydrophobicContact CG-CD1 4.41Å
314S88.1Confident85.5Confident23 Ų2346.3 Ų46.316%0.16126%0.255CS..EExtended strand (participates in β ladder)trans-103.3131.6176.7-175.80000110.5V316 W352 Q353S314-V316 PolarHBondContact O-N 2.95Å; S314-V316 VanDerWaalsContact O-N 3.09Å; S314-W352 VanDerWaalsContact O-CB 3.31Å; S314-W352 WeakPolarHBondContact O-CB 3.5Å; S314-Q353 PolarHBondContact N-O 2.92Å
315C84.9Confident84.9Confident11 Ų1150.8 Ų50.87%0.07427%0.268CS..EExtended strand (participates in β ladder)trans-80.825.8179.6-58.70000113.3P242P242-C315 HydrophobicContact CB-CB 3.87Å; P242-C315 HydrophobicContact CG-CB 3.76Å
316V84.7Confident84.6Confident97 Ų9750.6 Ų50.659%0.58827%0.269SS*.EExtended strand (participates in β ladder)trans-87.7117.8171.9177.50000108S314 C318S314-V316 PolarHBondContact O-N 2.95Å; S314-V316 VanDerWaalsContact O-N 3.09Å; V316-C318 PolarHBondContact O-N 3.05Å
317D84.5Confident84.3Confident68 Ų6849.9 Ų49.936%0.36426%0.263SS..EExtended strand (participates in β ladder)trans-67.5126.7179.8-64.7-46.4000110.7R345 M350 W352D317-R345 VanDerWaalsContact CG-NH2 3.29Å; D317-R345 IonicContact OD1-CZ 2.92Å; D317-R345 IonicContact OD1-NH2 2.66Å; D317-R345 PolarHBondContact OD1-NH2 2.99Å; D317-R345 VanDerWaalsContact OD1-NH2 3.14Å; D317-R345 IonicContact OD2-CZ 3.12Å; D317-R345 IonicContact OD2-NH2 3.76Å; D317-R345 PolarHBondContact OD2-NH2 3.18Å; D317-M350 HydrophobicContact CB-CB 4.19Å; D317-M350 HydrophobicContact CB-CG 4.1Å; D317-M350 HydrophobicContact CB-SD 4.13Å; D317-W352 PolarHBondContact OD1-NE1 3.39Å
318C82.9Confident84.2Confident34 Ų3454.5 Ų54.523%0.2328%0.283CS..EExtended strand (participates in β ladder)trans-129.5141.3-179.2-174.30000109.5V316 C351 Q353V316-C318 PolarHBondContact O-N 3.05Å; C318-C351 PolarHBondContact N-O 3Å; C318-C351 PolarHBondContact O-N 3.19Å; C318-C351 PolarHBondContact O-SG 2.82Å; C318-Q353 HydrophobicContact CB-CG 4.31Å; C318-Q353 PolarHBondContact SG-NE2 3.04Å; C318-Q353 VanDerWaalsContact SG-NE2 3.36Å
319E82.6Confident84.1Confident148 Ų14854.4 Ų54.469%0.69228%0.282SS*.  trans-82.4127.3169.8-66.6-166.9163.400110.4M321 M350E319-M321 PolarHBondContact O-N 3.22Å; E319-M350 HydrophobicContact CG-SD 4.18Å
320P81.1Confident84Confident20 Ų2059.6 Ų59.613%0.1330%0.304CS..  trans-78.4108.7-179.728.9-32.2000110.8V322 H349 Y371 K373P320-V322 PolarHBondContact O-N 2.8Å; P320-H349 VanDerWaalsContact CD-O 3.27Å; P320-H349 WeakPolarHBondContact CD-O 3Å; P320-Y371 HydrophobicContact CB-CD2 4.5Å; P320-Y371 HydrophobicContact CB-CE1 4.07Å; P320-Y371 HydrophobicContact CB-CE2 3.83Å; P320-K373 HydrophobicContact CG-CD 4.2Å
321M78.9Confident84Confident82 Ų8258 Ų5840%0.40429%0.294SS..  trans-68129171.8-166.8162.579.700110.9E319 L394 P395E319-M321 PolarHBondContact O-N 3.22Å; M321-L394 HydrophobicContact CB-CD1 4.31Å; M321-L394 VanDerWaalsContact CE-C 3.48Å; M321-L394 HydrophobicContact CE-CB 3.39Å; M321-L394 WeakPolarHBondContact O-CD1 3.12Å; M321-P395 HydrophobicContact CE-CB 4.43Å; M321-P395 HydrophobicContact CE-CG 3.85Å
322V76Confident84Confident113 Ų11360.3 Ų60.369%0.68530%0.304SS*.  trans-114.1127.3-178.1-177.40000109.7P320P320-V322 PolarHBondContact O-N 2.8Å
323I76.7Confident84.1Confident18 Ų1856.9 Ų56.99%0.09229%0.292CS..  trans-110.2131.8174.3-58-176.4000108.5L326 L394 L397 D398 F401 M438I323-L326 HydrophobicContact CB-CB 4.42Å; I323-L326 PolarHBondContact O-N 2.84Å; I323-L394 HydrophobicContact CD1-CB 3.84Å; I323-L394 HydrophobicContact CD1-CD2 3.72Å; I323-L394 HydrophobicContact CD1-CG 4.34Å; I323-L394 WeakPolarHBondContact CD1-O 3.47Å; I323-L394 HydrophobicContact CG1-CD2 4.21Å; I323-L397 HydrophobicContact CD1-CB 3.88Å; I323-D398 HydrophobicContact CD1-CB 4.3Å; I323-F401 HydrophobicContact CG2-CD2 4.26Å; I323-F401 HydrophobicContact CG2-CE2 4.14Å; I323-M438 HydrophobicContact CG2-CE 4.04Å
324D68Low84Confident121 Ų12159 Ų5965%0.64730%0.302SS*.THydrogen-bonded Turntrans-59.2143.8176.6-175.930.7000111.4L326 M438D324-L326 PolarHBondContact O-N 2.9Å; D324-L326 VanDerWaalsContact O-N 3.07Å; D324-M438 WeakPolarHBondContact O-CE 3.16Å
325K76.4Confident84Confident152 Ų15262.6 Ų62.666%0.66132%0.324SS*.THydrogen-bonded Turntrans64.3-7.6-178.8-57.8161.9-168.6169.80117.4P327 M438K325-P327 WeakPolarHBondContact O-CD 3.27Å; K325-M438 HydrophobicContact CB-CE 4.5Å; K325-M438 HydrophobicContact CB-SD 3.78Å
326L83.9Confident84.1Confident11 Ų1162.3 Ų62.36%0.05832%0.322CS..  trans-66120.7176.6-176.873.9000109.5I323 D324 F328 M386 L394 L397 M438I323-L326 HydrophobicContact CB-CB 4.42Å; I323-L326 PolarHBondContact O-N 2.84Å; D324-L326 PolarHBondContact O-N 2.9Å; D324-L326 VanDerWaalsContact O-N 3.07Å; L326-F328 PolarHBondContact O-N 2.88Å; L326-M386 HydrophobicContact CD2-CE 3.89Å; L326-L394 HydrophobicContact CD2-CD2 3.41Å; L326-L394 VanDerWaalsContact CD2-CD2 3.41Å; L326-L397 HydrophobicContact CD1-CD1 4.22Å; L326-M438 VanDerWaalsContact CA-SD 3.55Å; L326-M438 HydrophobicContact CB-CE 4.23Å; L326-M438 HydrophobicContact CB-SD 4.25Å; L326-M438 PolarHBondContact N-SD 3.16Å; L326-M438 VanDerWaalsContact N-SD 3.37Å
327P85.6Confident84.2Confident12 Ų1260 Ų608%0.07831%0.309CS..  trans-66.8129.917426.7-33.5000110H286 W287 K325 A434 M437H286-P327 HydrophobicContact CB-CB 4.31Å; H286-P327 VanDerWaalsContact CD2-CB 3.48Å; H286-P327 WeakPolarHBondContact CD2-CB 3.46Å; W287-P327 PolarHBondContact NE1-O 2.94Å; K325-P327 WeakPolarHBondContact O-CD 3.27Å; P327-A434 HydrophobicContact CG-CB 3.68Å; P327-M437 HydrophobicContact CB-CE 4.39Å; P327-M437 HydrophobicContact CG-SD 4.47Å
328F85.9Confident84.3Confident102 Ų10256.8 Ų56.845%0.44729%0.292SS..  trans-128.9153.8171.861.6-93.4000108.8L326 K330 F384 M386L326-F328 PolarHBondContact O-N 2.88Å; F328-K330 HydrophobicContact CD2-CB 4.39Å; F328-K330 HydrophobicContact CE2-CB 4.2Å; F328-F384 AromaticContact CD2-CD1 3.86Å; F328-F384 HydrophobicContact CD2-CD1 3.86Å; F328-F384 HydrophobicContact CD2-CE1 4.15Å; F328-F384 HydrophobicContact CE2-CD1 4.07Å; F328-F384 AromaticContact CE2-CE1 3.87Å; F328-F384 HydrophobicContact CE2-CE1 3.87Å; F328-M386 HydrophobicContact CB-SD 3.68Å
329D89.2Confident84.4Confident7 Ų755.5 Ų55.54%0.03728%0.283CS..EExtended strand (participates in β ladder)trans-103.7125.2174.9-58.6-33.5000109.1G285 H286 W287 Y331 F384 V385G285-D329 VanDerWaalsContact CA-OD1 3.25Å; G285-D329 WeakPolarHBondContact CA-OD1 3.3Å; H286-D329 IonicContact CE1-OD1 2.64Å; H286-D329 IonicContact CG-OD1 2.88Å; H286-D329 VanDerWaalsContact N-CG 3.3Å; H286-D329 PolarHBondContact N-OD1 2.94Å; H286-D329 PolarHBondContact N-OD2 2.83Å; H286-D329 IonicContact ND1-OD1 2.68Å; H286-D329 PolarHBondContact ND1-OD1 2.91Å; W287-D329 PolarHBondContact N-OD2 3.13Å; D329-Y331 HydrophobicContact CB-CD2 4.44Å; D329-Y331 HydrophobicContact CB-CE2 3.63Å; D329-F384 WeakPolarHBondContact O-CA 3.37Å; D329-V385 HydrophobicContact CB-CB 4.3Å; D329-V385 PolarHBondContact N-O 2.87Å; D329-V385 PolarHBondContact O-N 3.47Å
330K90.6Very high84.7Confident112 Ų11253.7 Ų53.749%0.48728%0.275SS..EExtended strand (participates in β ladder)trans-109.1117.6176.5178.9-172.8174.4-175.10108.5F328 N382 F384F328-K330 HydrophobicContact CD2-CB 4.39Å; F328-K330 HydrophobicContact CE2-CB 4.2Å; K330-N382 WeakPolarHBondContact CE-OD1 3.38Å; K330-N382 HydrophobicContact CG-CB 4.18Å; K330-F384 HydrophobicContact CB-CD1 4.3Å; K330-F384 HydrophobicContact CB-CE1 4.09Å; K330-F384 HydrophobicContact CD-CE1 4.09Å; K330-F384 HydrophobicContact CD-CZ 4.02Å; K330-F384 HydrophobicContact CG-CD1 4.44Å; K330-F384 HydrophobicContact CG-CE1 3.93Å; K330-F384 HydrophobicContact CG-CZ 4.02Å
331Y92Very high84.9Confident14 Ų1454.5 Ų54.56%0.05528%0.275CS..EExtended strand (participates in β ladder)trans-119.7141.8173.9-50.6-70.8000111P117 I272 V274 D329 N382 L383 V385P117-Y331 HydrophobicContact CB-CE2 4.23Å; P117-Y331 HydrophobicContact CG-CE2 4.2Å; I272-Y331 HydrophobicContact CG2-CD2 4.41Å; I272-Y331 HydrophobicContact CG2-CG 3.88Å; V274-Y331 HydrophobicContact CB-CD1 4.46Å; V274-Y331 HydrophobicContact CB-CE1 4.48Å; V274-Y331 HydrophobicContact CG1-CD1 4.28Å; V274-Y331 HydrophobicContact CG1-CE1 3.87Å; V274-Y331 HydrophobicContact CG2-CD1 3.94Å; V274-Y331 HydrophobicContact CG2-CE1 4.06Å; D329-Y331 HydrophobicContact CB-CD2 4.44Å; D329-Y331 HydrophobicContact CB-CE2 3.63Å; Y331-N382 CarbonylContact O-C 3.49Å; Y331-N382 WeakPolarHBondContact O-CA 3.29Å; Y331-L383 PolarHBondContact N-O 3.33Å; Y331-L383 PolarHBondContact O-N 2.98Å; Y331-V385 HydrophobicContact CD2-CG2 3.89Å; Y331-V385 HydrophobicContact CE2-CB 4.41Å; Y331-V385 HydrophobicContact CE2-CG2 3.77Å
332E92.1Very high85.2Confident47 Ų4751.2 Ų51.222%0.2226%0.26CS..EExtended strand (participates in β ladder)trans-92.1136.8-178.9-178.3175.2-146.400109.9I272 Y273 R275 C380I272-E332 CarbonylContact C-O 3.55Å; I272-E332 WeakPolarHBondContact CA-O 3.41Å; Y273-E332 HydrophobicContact CD2-CB 4.13Å; Y273-E332 HydrophobicContact CD2-CG 4.04Å; Y273-E332 WeakPolarHBondContact CD2-O 3.37Å; Y273-E332 PolarHBondContact N-O 3.09Å; R275-E332 IonicContact CZ-OE2 3.01Å; R275-E332 IonicContact NE-OE2 3.34Å; R275-E332 PolarHBondContact NE-OE2 2.97Å; R275-E332 IonicContact NH2-OE1 3.39Å; R275-E332 IonicContact NH2-OE2 2.85Å; R275-E332 PolarHBondContact NH2-OE2 3.42Å; E332-C380 HydrophobicContact CG-CB 4.09Å; E332-C380 PolarHBondContact OE1-SG 2.95Å
333L91.3Very high85.8Confident3 Ų347.6 Ų47.62%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-96135.1-176.8-149.8168.2000110.1F235 K270 T339 L372 V381F235-L333 HydrophobicContact CD2-CD1 4.47Å; F235-L333 HydrophobicContact CE2-CD1 3.75Å; F235-L333 HydrophobicContact CE2-CG 4.2Å; F235-L333 HydrophobicContact CZ-CD1 3.75Å; F235-L333 HydrophobicContact CZ-CG 4.46Å; K270-L333 HydrophobicContact CB-CD2 3.61Å; K270-L333 HydrophobicContact CG-CD2 4.15Å; L333-T339 HydrophobicContact CB-CG2 4.15Å; L333-T339 HydrophobicContact CD1-CG2 4.28Å; L333-T339 HydrophobicContact CD2-CG2 3.87Å; L333-T339 HydrophobicContact CG-CG2 4.32Å; L333-L372 HydrophobicContact CD1-CD2 4Å; L333-V381 WeakPolarHBondContact CB-O 3.2Å; L333-V381 PolarHBondContact N-O 3.4Å
334E89.2Confident86.3Confident45 Ų4553 Ų5321%0.2126%0.261CS..PPolyproline II helixtrans-56.5138.1172.7180179.5-146.300112.3L271 Y273 S336L271-E334 HydrophobicContact CB-CB 4.06Å; L271-E334 WeakPolarHBondContact CB-OE2 3.21Å; L271-E334 PolarHBondContact N-OE2 2.87Å; L271-E334 VanDerWaalsContact O-CB 3.25Å; L271-E334 WeakPolarHBondContact O-CB 3.42Å; L271-E334 PolarHBondContact O-N 2.99Å; Y273-E334 HydrophobicContact CE2-CB 4.17Å; E334-S336 PolarHBondContact O-N 2.99Å; E334-S336 PolarHBondContact O-OG 2.9Å
335P87.8Confident86.9Confident98 Ų9850.8 Ų50.864%0.63624%0.244SC*.SBendtrans-50.2129.1175.7-29.836.6000113.7
336S86.1Confident87.2Confident5 Ų551.1 Ų51.14%0.03525%0.246CC..  trans-160.3164.2-171.562.10000112K270 E334 L338 T339 Q340K270-S336 VanDerWaalsContact CE-CB 3.49Å; E334-S336 PolarHBondContact O-N 2.99Å; E334-S336 PolarHBondContact O-OG 2.9Å; S336-L338 PolarHBondContact O-N 2.85Å; S336-T339 PolarHBondContact N-OG1 3.47Å; S336-T339 PolarHBondContact O-N 2.88Å; S336-T339 PolarHBondContact O-OG1 3.44Å; S336-T339 WeakPolarHBondContact OG-CG2 3.22Å; S336-T339 PolarHBondContact OG-N 2.99Å; S336-T339 PolarHBondContact OG-OG1 3.47Å; S336-Q340 WeakPolarHBondContact O-CG 3.43Å; S336-Q340 PolarHBondContact O-N 3.1Å
337P86.5Confident86.9Confident47 Ų4752.4 Ų52.431%0.30526%0.255SS..Hα-helixtrans-53.4-38.4174.2-28.136.5000113.3P264 W265 Q340 Y341P264-P337 HydrophobicContact CB-CG 4.39Å; W265-P337 HydrophobicContact CB-CB 3.99Å; P337-Q340 PolarHBondContact O-N 3.12Å; P337-Y341 WeakPolarHBondContact O-CB 3.38Å; P337-Y341 PolarHBondContact O-N 2.76Å
338L86.7Confident86.5Confident2 Ų253 Ų531%0.0126%0.259CS..Hα-helixtrans-61.8-45.6174178.260.5000112F235 W265 F313 S336 V342 W352 L372F235-L338 HydrophobicContact CB-CD2 3.87Å; F235-L338 HydrophobicContact CD1-CD2 4.47Å; F235-L338 HydrophobicContact CG-CD2 4.08Å; W265-L338 HydrophobicContact CB-CB 4.39Å; W265-L338 HydrophobicContact CE3-CD1 4.1Å; F313-L338 HydrophobicContact CD1-CD2 4.45Å; F313-L338 HydrophobicContact CE1-CD1 4.09Å; F313-L338 HydrophobicContact CE1-CD2 4Å; F313-L338 HydrophobicContact CE2-CD1 3.83Å; F313-L338 HydrophobicContact CZ-CD1 3.51Å; F313-L338 HydrophobicContact CZ-CD2 4.29Å; S336-L338 PolarHBondContact O-N 2.85Å; L338-V342 HydrophobicContact CD1-CG2 4.39Å; L338-V342 VanDerWaalsContact O-CG2 3.31Å; L338-V342 WeakPolarHBondContact O-CG2 3.47Å; L338-V342 PolarHBondContact O-N 3.28Å; L338-V342 VanDerWaalsContact O-N 3.08Å; L338-W352 HydrophobicContact CD1-CZ3 4.37Å; L338-L372 HydrophobicContact CD2-CD1 4.31Å
339T86.8Confident86.3Confident7 Ų755 Ų554%0.04327%0.27CS..Hα-helixtrans-68-36177.659.30000112.9L333 S336 V342 L343 V381L333-T339 HydrophobicContact CB-CG2 4.15Å; L333-T339 HydrophobicContact CD1-CG2 4.28Å; L333-T339 HydrophobicContact CD2-CG2 3.87Å; L333-T339 HydrophobicContact CG-CG2 4.32Å; S336-T339 PolarHBondContact N-OG1 3.47Å; S336-T339 PolarHBondContact O-N 2.88Å; S336-T339 PolarHBondContact O-OG1 3.44Å; S336-T339 WeakPolarHBondContact OG-CG2 3.22Å; S336-T339 PolarHBondContact OG-N 2.99Å; S336-T339 PolarHBondContact OG-OG1 3.47Å; T339-V342 PolarHBondContact O-N 3.37Å; T339-L343 WeakPolarHBondContact O-CB 3.47Å; T339-L343 WeakPolarHBondContact O-CG 3.16Å; T339-L343 PolarHBondContact O-N 2.79Å; T339-V381 HydrophobicContact CG2-CB 3.82Å; T339-V381 HydrophobicContact CG2-CG2 3.89Å
340Q87.1Confident86.1Confident110 Ų11057.9 Ų57.951%0.51428%0.284SS..Hα-helixtrans-61.2-51.3176-72.4168.8-40.400110S336 P337 V342 L343 E344S336-Q340 WeakPolarHBondContact O-CG 3.43Å; S336-Q340 PolarHBondContact O-N 3.1Å; P337-Q340 PolarHBondContact O-N 3.12Å; Q340-V342 VanDerWaalsContact C-N 3.34Å; Q340-V342 PolarHBondContact O-N 3.06Å; Q340-L343 PolarHBondContact O-N 2.82Å; Q340-E344 WeakPolarHBondContact O-CB 3.38Å; Q340-E344 VanDerWaalsContact O-CG 3.3Å; Q340-E344 WeakPolarHBondContact O-CG 3.43Å; Q340-E344 PolarHBondContact O-N 2.98Å
341Y86.1Confident86Confident36 Ų3652.7 Ų52.714%0.14126%0.261CS..Hα-helixtrans-58.9-39.9177.8-172.2-112.1000113.6P242 W265 P337 W352P242-Y341 HydrophobicContact CG-CE1 4.22Å; W265-Y341 AromaticContact CD2-CD1 3.98Å; W265-Y341 HydrophobicContact CD2-CD1 3.98Å; W265-Y341 HydrophobicContact CD2-CE1 4.4Å; W265-Y341 HydrophobicContact CD2-CG 4.3Å; W265-Y341 AromaticContact CE3-CD1 3.91Å; W265-Y341 HydrophobicContact CE3-CD1 3.91Å; W265-Y341 HydrophobicContact CE3-CE1 4.3Å; W265-Y341 AromaticContact CH2-CD1 3.96Å; W265-Y341 HydrophobicContact CH2-CD1 3.96Å; W265-Y341 AromaticContact CH2-CE1 3.48Å; W265-Y341 HydrophobicContact CH2-CE1 3.48Å; W265-Y341 VanDerWaalsContact CH2-CE1 3.48Å; W265-Y341 HydrophobicContact CZ2-CD1 4.05Å; W265-Y341 AromaticContact CZ2-CE1 3.61Å; W265-Y341 HydrophobicContact CZ2-CE1 3.61Å; W265-Y341 HydrophobicContact CZ2-CE2 4.48Å; W265-Y341 AromaticContact CZ2-CZ 3.86Å; W265-Y341 AromaticContact CZ3-CD1 3.91Å; W265-Y341 HydrophobicContact CZ3-CD1 3.91Å; W265-Y341 AromaticContact CZ3-CE1 3.86Å; W265-Y341 HydrophobicContact CZ3-CE1 3.86Å; P337-Y341 WeakPolarHBondContact O-CB 3.38Å; P337-Y341 PolarHBondContact O-N 2.76Å; Y341-W352 AromaticContact CD1-CH2 3.78Å; Y341-W352 HydrophobicContact CD1-CH2 3.78Å; Y341-W352 HydrophobicContact CD1-CZ3 4.34Å; Y341-W352 AromaticContact CE1-CH2 3.76Å; Y341-W352 HydrophobicContact CE1-CH2 3.76Å
342V86.1Confident86Confident14 Ų1452.5 Ų52.59%0.08526%0.261CS..Hα-helixtrans-67.7-35.6175.3170.40000112.3L338 T339 Q340 W352 A374 V381L338-V342 HydrophobicContact CD1-CG2 4.39Å; L338-V342 VanDerWaalsContact O-CG2 3.31Å; L338-V342 WeakPolarHBondContact O-CG2 3.47Å; L338-V342 PolarHBondContact O-N 3.28Å; L338-V342 VanDerWaalsContact O-N 3.08Å; T339-V342 PolarHBondContact O-N 3.37Å; Q340-V342 VanDerWaalsContact C-N 3.34Å; Q340-V342 PolarHBondContact O-N 3.06Å; V342-W352 HydrophobicContact CG2-CE3 3.91Å; V342-W352 HydrophobicContact CG2-CH2 3.81Å; V342-W352 HydrophobicContact CG2-CZ3 3.4Å; V342-W352 VanDerWaalsContact CG2-CZ3 3.4Å; V342-A374 HydrophobicContact CG1-CB 4.33Å; V342-V381 HydrophobicContact CB-CG2 3.92Å; V342-V381 HydrophobicContact CG1-CG1 4.16Å; V342-V381 HydrophobicContact CG1-CG2 3.67Å
343L87.3Confident85.9Confident36 Ų3652.2 Ų52.219%0.18826%0.259CS..Hα-helixtrans-77.4-36.2179.2-69.2174.5000112.5T339 Q340 R345 K346 A374 L378 V381T339-L343 WeakPolarHBondContact O-CB 3.47Å; T339-L343 WeakPolarHBondContact O-CG 3.16Å; T339-L343 PolarHBondContact O-N 2.79Å; Q340-L343 PolarHBondContact O-N 2.82Å; L343-R345 PolarHBondContact O-N 3.06Å; L343-K346 PolarHBondContact O-N 2.67Å; L343-A374 HydrophobicContact CD2-CB 3.96Å; L343-L378 HydrophobicContact CD2-CB 4.24Å; L343-L378 HydrophobicContact CD2-CD2 4.27Å; L343-L378 WeakPolarHBondContact CD2-O 3.26Å; L343-V381 HydrophobicContact CD2-CG2 4.15Å; L343-V381 HydrophobicContact CG-CG2 3.99Å
344E87.4Confident86Confident132 Ų13252.1 Ų52.162%0.61726%0.259SS*.Hα-helixtrans-58.5-33.8176.7-78.9164.3-165.600112.8Q340 K346Q340-E344 WeakPolarHBondContact O-CB 3.38Å; Q340-E344 VanDerWaalsContact O-CG 3.3Å; Q340-E344 WeakPolarHBondContact O-CG 3.43Å; Q340-E344 PolarHBondContact O-N 2.98Å; E344-K346 PolarHBondContact O-N 2.98Å
345R81.2Confident86.1Confident74 Ų7451.1 Ų51.128%0.27925%0.254SS..THydrogen-bonded Turntrans-66.7-13.2175.6-72.9-177.656.6144.7-3.3114.5D317 L343 S347D317-R345 VanDerWaalsContact CG-NH2 3.29Å; D317-R345 IonicContact OD1-CZ 2.92Å; D317-R345 IonicContact OD1-NH2 2.66Å; D317-R345 PolarHBondContact OD1-NH2 2.99Å; D317-R345 VanDerWaalsContact OD1-NH2 3.14Å; D317-R345 IonicContact OD2-CZ 3.12Å; D317-R345 IonicContact OD2-NH2 3.76Å; D317-R345 PolarHBondContact OD2-NH2 3.18Å; L343-R345 PolarHBondContact O-N 3.06Å; R345-S347 PolarHBondContact O-N 2.71Å
346K81.9Confident86.2Confident160 Ų16046.6 Ų46.670%0.69622%0.224SC*.  trans48.829.1176.5-61.7174.8-172.4173.20115.1L343 E344 P348 L378L343-K346 PolarHBondContact O-N 2.67Å; E344-K346 PolarHBondContact O-N 2.98Å; K346-P348 VanDerWaalsContact C-CD 3.4Å; K346-P348 WeakPolarHBondContact O-CD 3.41Å; K346-L378 HydrophobicContact CB-CD1 4.36Å; K346-L378 HydrophobicContact CG-CD1 4.3Å
347S78.4Confident86.1Confident37 Ų3747.5 Ų47.526%0.25923%0.23SC..  trans-110.269.5-173.860.70000112.5R345 H349 M350R345-S347 PolarHBondContact O-N 2.71Å; S347-H349 PolarHBondContact O-N 3.47Å; S347-H349 VanDerWaalsContact O-N 3.1Å; S347-M350 PolarHBondContact O-N 2.78Å
348P77.5Confident85.9Confident25 Ų2548 Ų4816%0.16224%0.236CC..THydrogen-bonded Turntrans-70.1-7.9-172.331.3-38.4000114.5K346 K373 L378K346-P348 VanDerWaalsContact C-CD 3.4Å; K346-P348 WeakPolarHBondContact O-CD 3.41Å; P348-K373 WeakPolarHBondContact O-CE 3.38Å; P348-L378 HydrophobicContact CB-CD2 4.23Å
349H81.3Confident85.7Confident144 Ų14448 Ų4867%0.66724%0.235SC*.THydrogen-bonded Turntrans-85-31176.5-62.6-75.9000112.6P320 S347P320-H349 VanDerWaalsContact CD-O 3.27Å; P320-H349 WeakPolarHBondContact CD-O 3Å; S347-H349 PolarHBondContact O-N 3.47Å; S347-H349 VanDerWaalsContact O-N 3.1Å
350M85.8Confident85.3Confident68 Ų6848.4 Ų48.434%0.33524%0.241SC..  trans-82.3151.6179.9-60.5-55.5178.500111.7D317 E319 S347D317-M350 HydrophobicContact CB-CB 4.19Å; D317-M350 HydrophobicContact CB-CG 4.1Å; D317-M350 HydrophobicContact CB-SD 4.13Å; E319-M350 HydrophobicContact CG-SD 4.18Å; S347-M350 PolarHBondContact O-N 2.78Å
351C88.1Confident84.4Confident2 Ų250.2 Ų50.21%0.01425%0.247CC..EExtended strand (participates in β ladder)trans-134.6155.9169.3730000112.2C318 Y371 L372 K373C318-C351 PolarHBondContact N-O 3Å; C318-C351 PolarHBondContact O-N 3.19Å; C318-C351 PolarHBondContact O-SG 2.82Å; C351-Y371 HydrophobicContact CB-CD2 3.51Å; C351-Y371 HydrophobicContact CB-CE2 4.28Å; C351-Y371 HydrophobicContact CB-CG 3.94Å; C351-Y371 VanDerWaalsContact SG-CG 3.56Å; C351-L372 VanDerWaalsContact CA-O 3.3Å; C351-L372 WeakPolarHBondContact CA-O 3.35Å; C351-L372 VanDerWaalsContact CB-O 3.28Å; C351-L372 WeakPolarHBondContact CB-O 3.49Å; C351-K373 HydrophobicContact CB-CB 4.04Å; C351-K373 HydrophobicContact CB-CG 4.36Å
352W90.6Very high83.3Confident11 Ų1158 Ų584%0.04229%0.285CS..EExtended strand (participates in β ladder)trans-106.5124.5176-68.2-11.8000109.8F313 S314 D317 L338 Y341 V342 Y371 L372F313-W352 AromaticContact CD2-CE3 3.97Å; F313-W352 HydrophobicContact CD2-CE3 3.97Å; F313-W352 HydrophobicContact CD2-CZ3 4.48Å; F313-W352 HydrophobicContact CE2-CE3 4.15Å; F313-W352 HydrophobicContact CE2-CZ3 4.2Å; S314-W352 VanDerWaalsContact O-CB 3.31Å; S314-W352 WeakPolarHBondContact O-CB 3.5Å; D317-W352 PolarHBondContact OD1-NE1 3.39Å; L338-W352 HydrophobicContact CD1-CZ3 4.37Å; Y341-W352 AromaticContact CD1-CH2 3.78Å; Y341-W352 HydrophobicContact CD1-CH2 3.78Å; Y341-W352 HydrophobicContact CD1-CZ3 4.34Å; Y341-W352 AromaticContact CE1-CH2 3.76Å; Y341-W352 HydrophobicContact CE1-CH2 3.76Å; V342-W352 HydrophobicContact CG2-CE3 3.91Å; V342-W352 HydrophobicContact CG2-CH2 3.81Å; V342-W352 HydrophobicContact CG2-CZ3 3.4Å; V342-W352 VanDerWaalsContact CG2-CZ3 3.4Å; W352-Y371 CarbonylContact O-C 3.52Å; W352-Y371 WeakPolarHBondContact O-CA 3.47Å; W352-Y371 VanDerWaalsContact O-CB 3.3Å; W352-Y371 WeakPolarHBondContact O-CB 3.02Å; W352-L372 PolarHBondContact N-O 2.96Å; W352-L372 PolarHBondContact O-N 2.99Å
353Q91.3Very high82.5Confident41 Ų4160.9 Ų60.919%0.19230%0.3CS..EExtended strand (participates in β ladder)trans-70144.4-177.2-61.6-169.2-5.700111.4F313 S314 C318 F355 P368F313-Q353 WeakPolarHBondContact CA-O 3.37Å; S314-Q353 PolarHBondContact N-O 2.92Å; C318-Q353 HydrophobicContact CB-CG 4.31Å; C318-Q353 PolarHBondContact SG-NE2 3.04Å; C318-Q353 VanDerWaalsContact SG-NE2 3.36Å; Q353-F355 HydrophobicContact CB-CE1 4.44Å; Q353-F355 HydrophobicContact CB-CE2 3.81Å; Q353-F355 HydrophobicContact CB-CZ 3.58Å; Q353-F355 VanDerWaalsContact O-CE2 3.23Å; Q353-F355 WeakPolarHBondContact O-CE2 3.39Å; Q353-P368 HydrophobicContact CB-CB 4.32Å
354V92.2Very high81.5Confident0 Ų065.7 Ų65.70%033%0.326CS..EExtended strand (participates in β ladder)trans-117.1144.1175.2-58.60000113.4V311 R312 F313 P368 F369 G370 L372 L383V311-V354 HydrophobicContact CG1-CB 3.69Å; V311-V354 HydrophobicContact CG1-CG1 4.09Å; V311-V354 HydrophobicContact CG1-CG2 4.19Å; R312-V354 CarbonylContact O-C 3.58Å; R312-V354 VanDerWaalsContact O-CA 3.26Å; R312-V354 WeakPolarHBondContact O-CA 3.33Å; F313-V354 HydrophobicContact CB-CG1 3.95Å; V354-P368 VanDerWaalsContact O-CA 3.27Å; V354-P368 WeakPolarHBondContact O-CA 3Å; V354-F369 HydrophobicContact CB-CE1 4.11Å; V354-F369 HydrophobicContact CB-CZ 4.43Å; V354-F369 HydrophobicContact CG2-CD1 4.2Å; V354-F369 HydrophobicContact CG2-CE1 3.64Å; V354-F369 HydrophobicContact CG2-CE2 4.25Å; V354-F369 HydrophobicContact CG2-CZ 3.68Å; V354-F369 VanDerWaalsContact O-CD1 3.28Å; V354-F369 WeakPolarHBondContact O-CD1 3.48Å; V354-F369 PolarHBondContact O-N 2.86Å; V354-G370 VanDerWaalsContact CG2-C 3.45Å; V354-G370 WeakPolarHBondContact CG2-O 3.48Å; V354-G370 PolarHBondContact N-O 3.1Å; V354-L372 HydrophobicContact CG1-CD1 4.26Å; V354-L372 HydrophobicContact CG1-CG 3.92Å; V354-L383 HydrophobicContact CG1-CD1 4.35Å; V354-L383 HydrophobicContact CG2-CD1 3.82Å
355F91.6Very high80.7Confident24 Ų2462.7 Ų62.711%0.10531%0.314CS..EExtended strand (participates in β ladder)trans-134.5161.7-169.8-45.8-94.7000110R312 Q353 L365 P368R312-F355 PolarHBondContact N-O 3.25Å; R312-F355 WeakPolarHBondContact O-CD2 3.36Å; R312-F355 PolarHBondContact O-N 3.36Å; Q353-F355 HydrophobicContact CB-CE1 4.44Å; Q353-F355 HydrophobicContact CB-CE2 3.81Å; Q353-F355 HydrophobicContact CB-CZ 3.58Å; Q353-F355 VanDerWaalsContact O-CE2 3.23Å; Q353-F355 WeakPolarHBondContact O-CE2 3.39Å; F355-L365 WeakPolarHBondContact CB-O 3.38Å; F355-P368 HydrophobicContact CD1-CB 4.02Å; F355-P368 HydrophobicContact CE1-CB 3.67Å; F355-P368 HydrophobicContact CE1-CG 4.07Å; F355-P368 HydrophobicContact CZ-CB 4.32Å
356V90.1Very high80.7Confident4 Ų459.3 Ų59.32%0.02430%0.302CS..EExtended strand (participates in β ladder)trans-126.9129.2167.3175.60000107.7I289 P290 V311 S359 G366 F369I289-V356 HydrophobicContact CG2-CG2 4.35Å; P290-V356 HydrophobicContact CG-CB 3.96Å; P290-V356 HydrophobicContact CG-CG2 3.73Å; V311-V356 HydrophobicContact CG2-CG2 4.34Å; V356-S359 WeakPolarHBondContact O-CB 3.24Å; V356-S359 PolarHBondContact O-N 3.24Å; V356-S359 PolarHBondContact O-OG 3.18Å; V356-S359 VanDerWaalsContact O-OG 3.13Å; V356-G366 WeakPolarHBondContact O-CA 3.45Å; V356-F369 HydrophobicContact CG2-CD1 4.2Å; V356-F369 HydrophobicContact CG2-CE1 3.65Å; V356-F369 HydrophobicContact CG2-CZ 4.14Å
357S85Confident80.9Confident23 Ų2355.8 Ų55.816%0.16129%0.286CS..THydrogen-bonded Turntrans-57.9144.8178.1-50.60000111.5S292 R312 S359 D364S292-S357 WeakPolarHBondContact CA-O 3.41Å; R312-S357 VanDerWaalsContact CD-OG 3.22Å; R312-S357 WeakPolarHBondContact CD-OG 3.33Å; R312-S357 VanDerWaalsContact CZ-OG 3.27Å; R312-S357 PolarHBondContact NE-OG 3.43Å; R312-S357 PolarHBondContact NH1-OG 3.46Å; S357-S359 PolarHBondContact O-N 3.28Å; S357-D364 CarbonylContact C-O 3.57Å; S357-D364 WeakPolarHBondContact CA-O 3.38Å
358S82.6Confident81.5Confident59 Ų5954.6 Ų54.641%0.41328%0.278SS..THydrogen-bonded Turntrans59.417175.4-48.70000115.1S292 F293 G360 D364S292-S358 WeakPolarHBondContact O-CB 3.48Å; F293-S358 CarbonylContact C-O 3.47Å; F293-S358 WeakPolarHBondContact CA-O 3.38Å; S358-G360 VanDerWaalsContact C-N 3.26Å; S358-G360 PolarHBondContact O-N 3.26Å; S358-D364 PolarHBondContact N-O 2.86Å
359S82.1Confident82.2Confident0 Ų053.4 Ų53.40%027%0.27CS..  trans-76.9-6.4178.475.30000114.4E291 V356 S357 G366 Y388E291-S359 WeakPolarHBondContact O-CA 3.44Å; E291-S359 WeakPolarHBondContact O-CB 3.42Å; V356-S359 WeakPolarHBondContact O-CB 3.24Å; V356-S359 PolarHBondContact O-N 3.24Å; V356-S359 PolarHBondContact O-OG 3.18Å; V356-S359 VanDerWaalsContact O-OG 3.13Å; S357-S359 PolarHBondContact O-N 3.28Å; S359-G366 VanDerWaalsContact OG-CA 3.3Å; S359-G366 WeakPolarHBondContact OG-CA 3.45Å; S359-Y388 PolarHBondContact O-OH 3.16Å; S359-Y388 VanDerWaalsContact O-OH 3.07Å; S359-Y388 WeakPolarHBondContact OG-CE2 3.27Å; S359-Y388 PolarHBondContact OG-OH 3.48Å
360G76.9Confident82.8Confident17 Ų1746.5 Ų46.518%0.17524%0.238CC..BIsolated β-bridgetrans-135149.1-173.700000112.9S358 Q362S358-G360 VanDerWaalsContact C-N 3.26Å; S358-G360 PolarHBondContact O-N 3.26Å; G360-Q362 VanDerWaalsContact C-N 3.27Å; G360-Q362 PolarHBondContact O-N 3.37Å; G360-Q362 VanDerWaalsContact O-N 3.16Å
361K69.3Low83.1Confident148 Ų14843.9 Ų43.964%0.64323%0.225SC*.THydrogen-bonded Turntrans-63.7-17.5-173.9-66-166176-170.10116.9W294W294-K361 HydrophobicContact CD2-CD 4.4Å; W294-K361 HydrophobicContact CD2-CG 3.53Å; W294-K361 HydrophobicContact CE3-CG 3.82Å; W294-K361 HydrophobicContact CG-CG 3.93Å; W294-K361 HydrophobicContact CH2-CG 4.18Å; W294-K361 HydrophobicContact CZ2-CD 4.19Å; W294-K361 VanDerWaalsContact CZ2-CE 3.43Å; W294-K361 HydrophobicContact CZ2-CG 4.01Å; W294-K361 HydrophobicContact CZ3-CG 4.13Å
362Q63.5Low83.3Confident199 Ų19944 Ų4493%0.9323%0.225SC*.THydrogen-bonded Turntrans-135.60.6-169.8-67.6-166.61.500114.9G360G360-Q362 VanDerWaalsContact C-N 3.27Å; G360-Q362 PolarHBondContact O-N 3.37Å; G360-Q362 VanDerWaalsContact O-N 3.16Å
363N67.7Low83.3Confident75 Ų7545.6 Ų45.640%0.40123%0.232SC..BIsolated β-bridgetrans-140.9118.6-176.7-172.942.9000110.4L365 G366N363-L365 PolarHBondContact O-N 2.75Å; N363-G366 PolarHBondContact ND2-O 2.99Å; N363-G366 PolarHBondContact O-N 3.45Å
364D66.6Low83.3Confident137 Ų13744 Ų4473%0.73323%0.226SC*.THydrogen-bonded Turntrans-63.8-28.7-175.3-64.8-35.9000112.9S357 S358 G366S357-D364 CarbonylContact C-O 3.57Å; S357-D364 WeakPolarHBondContact CA-O 3.38Å; S358-D364 PolarHBondContact N-O 2.86Å; D364-G366 VanDerWaalsContact C-N 3.29Å; D364-G366 PolarHBondContact O-N 2.9Å
365L72.1Confident83.1Confident69 Ų6944.8 Ų44.836%0.36123%0.231SC..THydrogen-bonded Turntrans-78.4-8.5176-143.378.3000113.9T238 F355 N363T238-L365 HydrophobicContact CG2-CD1 4.14Å; F355-L365 WeakPolarHBondContact CB-O 3.38Å; N363-L365 PolarHBondContact O-N 2.75Å
366G80.1Confident82.9Confident2 Ų249.6 Ų49.62%0.02126%0.263CS..  trans77.8-152.7-175.300000114.4V356 S359 N363 D364V356-G366 WeakPolarHBondContact O-CA 3.45Å; S359-G366 VanDerWaalsContact OG-CA 3.3Å; S359-G366 WeakPolarHBondContact OG-CA 3.45Å; N363-G366 PolarHBondContact ND2-O 2.99Å; N363-G366 PolarHBondContact O-N 3.45Å; D364-G366 VanDerWaalsContact C-N 3.29Å; D364-G366 PolarHBondContact O-N 2.9Å
367K86.7Confident82.8Confident87 Ų8753.6 Ų53.638%0.37829%0.287SS..  trans-134.3154.4173.9-67.6-65.6-176.8-174.50110F369 Y388 N389K367-F369 PolarHBondContact O-N 3.27Å; K367-Y388 HydrophobicContact CB-CE1 3.86Å; K367-Y388 HydrophobicContact CB-CE2 4.2Å; K367-Y388 HydrophobicContact CG-CE1 4.16Å; K367-N389 HydrophobicContact CB-CB 4.03Å; K367-N389 HydrophobicContact CG-CB 4.43Å
368P91Very high82.8Confident11 Ų1155.4 Ų55.47%0.07130%0.295CS..  trans-68.4130.3-175.926.1-32.7000111.2Q353 V354 F355 N389 Y390 P391Q353-P368 HydrophobicContact CB-CB 4.32Å; V354-P368 VanDerWaalsContact O-CA 3.27Å; V354-P368 WeakPolarHBondContact O-CA 3Å; F355-P368 HydrophobicContact CD1-CB 4.02Å; F355-P368 HydrophobicContact CE1-CB 3.67Å; F355-P368 HydrophobicContact CE1-CG 4.07Å; F355-P368 HydrophobicContact CZ-CB 4.32Å; P368-N389 VanDerWaalsContact O-CA 3.25Å; P368-N389 WeakPolarHBondContact O-CA 3.49Å; P368-N389 PolarHBondContact O-N 3.47Å; P368-Y390 HydrophobicContact CB-CE1 4.08Å; P368-P391 HydrophobicContact CG-CG 3.78Å
369F92.3Very high83Confident0 Ų057.6 Ų57.60%031%0.306CS..  trans-118.11.6-179.276.2-81.1000112.8I289 P290 V311 V354 V356 K367 V385 M386 Y388I289-F369 HydrophobicContact CB-CE2 4.4Å; I289-F369 HydrophobicContact CG1-CE2 4.15Å; I289-F369 HydrophobicContact CG2-CE2 4.05Å; I289-F369 HydrophobicContact CG2-CZ 4.17Å; P290-F369 HydrophobicContact CG-CB 4.15Å; P290-F369 HydrophobicContact CG-CD1 3.94Å; P290-F369 HydrophobicContact CG-CD2 4.31Å; P290-F369 HydrophobicContact CG-CE1 4.48Å; P290-F369 HydrophobicContact CG-CG 3.85Å; V311-F369 HydrophobicContact CG1-CE1 4.1Å; V311-F369 HydrophobicContact CG1-CZ 3.92Å; V311-F369 HydrophobicContact CG2-CZ 4.05Å; V354-F369 HydrophobicContact CB-CE1 4.11Å; V354-F369 HydrophobicContact CB-CZ 4.43Å; V354-F369 HydrophobicContact CG2-CD1 4.2Å; V354-F369 HydrophobicContact CG2-CE1 3.64Å; V354-F369 HydrophobicContact CG2-CE2 4.25Å; V354-F369 HydrophobicContact CG2-CZ 3.68Å; V354-F369 VanDerWaalsContact O-CD1 3.28Å; V354-F369 WeakPolarHBondContact O-CD1 3.48Å; V354-F369 PolarHBondContact O-N 2.86Å; V356-F369 HydrophobicContact CG2-CD1 4.2Å; V356-F369 HydrophobicContact CG2-CE1 3.65Å; V356-F369 HydrophobicContact CG2-CZ 4.14Å; K367-F369 PolarHBondContact O-N 3.27Å; F369-V385 HydrophobicContact CD2-CG1 4.12Å; F369-V385 HydrophobicContact CE2-CG1 4.38Å; F369-M386 CarbonylContact O-C 3.54Å; F369-M386 WeakPolarHBondContact O-CA 3.31Å; F369-M386 PolarHBondContact O-N 3.2Å; F369-Y388 HydrophobicContact CB-CD2 4.24Å
370G92.3Very high83.4Confident0 Ų058.5 Ų58.50%031%0.312CS..EExtended strand (participates in β ladder)trans177.2-171.3-179.200000111.3V354 F384V354-G370 VanDerWaalsContact CG2-C 3.45Å; V354-G370 WeakPolarHBondContact CG2-O 3.48Å; V354-G370 PolarHBondContact N-O 3.1Å; G370-F384 CarbonylContact C-O 3.59Å; G370-F384 WeakPolarHBondContact CA-O 3.26Å
371Y92.7Very high84.1Confident13 Ų1357.8 Ų57.85%0.05130%0.304CS..EExtended strand (participates in β ladder)trans-151.8152.4175.352.4-95.4000112.5P320 C351 W352 K373 F384 M386 Y390P320-Y371 HydrophobicContact CB-CD2 4.5Å; P320-Y371 HydrophobicContact CB-CE1 4.07Å; P320-Y371 HydrophobicContact CB-CE2 3.83Å; C351-Y371 HydrophobicContact CB-CD2 3.51Å; C351-Y371 HydrophobicContact CB-CE2 4.28Å; C351-Y371 HydrophobicContact CB-CG 3.94Å; C351-Y371 VanDerWaalsContact SG-CG 3.56Å; W352-Y371 CarbonylContact O-C 3.52Å; W352-Y371 WeakPolarHBondContact O-CA 3.47Å; W352-Y371 VanDerWaalsContact O-CB 3.3Å; W352-Y371 WeakPolarHBondContact O-CB 3.02Å; Y371-K373 HydrophobicContact CD2-CB 4.07Å; Y371-K373 HydrophobicContact CE2-CB 4.23Å; Y371-K373 HydrophobicContact CE2-CD 4.29Å; Y371-F384 HydrophobicContact CD2-CB 3.91Å; Y371-F384 HydrophobicContact CD2-CD2 4.08Å; Y371-F384 HydrophobicContact CD2-CG 4.27Å; Y371-F384 HydrophobicContact CE1-CB 4.22Å; Y371-F384 HydrophobicContact CE2-CB 3.54Å; Y371-F384 HydrophobicContact CE2-CD1 4.45Å; Y371-F384 AromaticContact CE2-CD2 3.63Å; Y371-F384 HydrophobicContact CE2-CD2 3.63Å; Y371-F384 HydrophobicContact CE2-CE2 4.45Å; Y371-F384 AromaticContact CE2-CG 3.62Å; Y371-F384 HydrophobicContact CE2-CG 3.62Å; Y371-F384 HydrophobicContact CG-CB 4.4Å; Y371-F384 PolarHBondContact N-O 3.36Å; Y371-F384 PolarHBondContact O-N 3.15Å; Y371-M386 HydrophobicContact CD1-CG 4.36Å; Y371-M386 HydrophobicContact CE1-CG 3.92Å; Y371-M386 HydrophobicContact CE1-SD 4.47Å; Y371-Y390 HydrophobicContact CD1-CE1 4.21Å; Y371-Y390 HydrophobicContact CD1-CE2 4.3Å; Y371-Y390 AromaticContact CD1-CZ 3.75Å; Y371-Y390 WeakPolarHBondContact CD1-OH 3.08Å; Y371-Y390 HydrophobicContact CE1-CE2 4.5Å
372L91.7Very high85.1Confident3 Ų351 Ų512%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-87.9131.4168.5-67.6172.3000109.3F235 F313 L333 L338 C351 W352 V354 V381 L383F235-L372 HydrophobicContact CD1-CD1 4.3Å; F235-L372 HydrophobicContact CE1-CD1 4.24Å; F235-L372 HydrophobicContact CE1-CD2 4.01Å; F235-L372 HydrophobicContact CZ-CD2 4.36Å; F313-L372 HydrophobicContact CB-CD1 4.25Å; F313-L372 HydrophobicContact CG-CD1 4.41Å; L333-L372 HydrophobicContact CD1-CD2 4Å; L338-L372 HydrophobicContact CD2-CD1 4.31Å; C351-L372 VanDerWaalsContact CA-O 3.3Å; C351-L372 WeakPolarHBondContact CA-O 3.35Å; C351-L372 VanDerWaalsContact CB-O 3.28Å; C351-L372 WeakPolarHBondContact CB-O 3.49Å; W352-L372 PolarHBondContact N-O 2.96Å; W352-L372 PolarHBondContact O-N 2.99Å; V354-L372 HydrophobicContact CG1-CD1 4.26Å; V354-L372 HydrophobicContact CG1-CG 3.92Å; L372-V381 HydrophobicContact CB-CG1 4.42Å; L372-V381 HydrophobicContact CD2-CG1 4.42Å; L372-L383 HydrophobicContact CD2-CB 4.07Å; L372-L383 HydrophobicContact CD2-CD1 3.96Å; L372-L383 HydrophobicContact CG-CD1 4.49Å
373K91.4Very high86.5Confident45 Ų4541.6 Ų41.620%0.19623%0.231CC..EExtended strand (participates in β ladder)trans-143.7133.8178.9-174.2179.7-177171.70111.1P320 P348 C351 Y371 N382 F384P320-K373 HydrophobicContact CG-CD 4.2Å; P348-K373 WeakPolarHBondContact O-CE 3.38Å; C351-K373 HydrophobicContact CB-CB 4.04Å; C351-K373 HydrophobicContact CB-CG 4.36Å; Y371-K373 HydrophobicContact CD2-CB 4.07Å; Y371-K373 HydrophobicContact CE2-CB 4.23Å; Y371-K373 HydrophobicContact CE2-CD 4.29Å; K373-N382 PolarHBondContact N-O 3.27Å; K373-N382 PolarHBondContact O-N 3.16Å; K373-F384 HydrophobicContact CB-CD2 4.01Å; K373-F384 HydrophobicContact CB-CE2 3.91Å; K373-F384 HydrophobicContact CD-CE2 4.34Å
374A90.9Very high87.7Confident7 Ų739.4 Ų39.46%0.05822%0.218CC..EExtended strand (participates in β ladder)trans-62.1146.7171.900000111.4V342 L343 L378V342-A374 HydrophobicContact CG1-CB 4.33Å; L343-A374 HydrophobicContact CD2-CB 3.96Å; A374-L378 HydrophobicContact CB-CD2 3.97Å
375S89.6Confident88.9Confident17 Ų1732.9 Ų32.912%0.11918%0.183CC..  trans-60.3149.1166.7-171.70000110.1T377 L378 C380S375-T377 WeakPolarHBondContact CB-OG1 3.42Å; S375-T377 PolarHBondContact O-N 3.29Å; S375-T377 PolarHBondContact OG-N 3.48Å; S375-T377 PolarHBondContact OG-OG1 3.06Å; S375-L378 WeakPolarHBondContact O-CA 3.23Å; S375-L378 PolarHBondContact O-N 3.27Å; S375-C380 WeakPolarHBondContact CB-O 3.29Å; S375-C380 PolarHBondContact N-O 3.47Å
376T87.1Confident89.8Confident125 Ų12530 Ų3077%0.76717%0.168SC*.THydrogen-bonded Turntrans-60-25.6171.547.90000112.4L378T376-L378 VanDerWaalsContact C-N 3.31Å
377T86.9Confident90.3Very high88 Ų8829.9 Ų29.954%0.5417%0.167SC..THydrogen-bonded Turntrans-80.5-5.5172.854.30000114.2S375 T379S375-T377 WeakPolarHBondContact CB-OG1 3.42Å; S375-T377 PolarHBondContact O-N 3.29Å; S375-T377 PolarHBondContact OG-N 3.48Å; S375-T377 PolarHBondContact OG-OG1 3.06Å; T377-T379 PolarHBondContact O-N 3.36Å; T377-T379 PolarHBondContact OG1-OG1 3.37Å
378L85.6Confident90.5Very high62 Ų6225.8 Ų25.833%0.32515%0.149SC..SBendtrans52.123.1-172.9-58.6177000114.9L343 K346 P348 A374 S375 T376L343-L378 HydrophobicContact CD2-CB 4.24Å; L343-L378 HydrophobicContact CD2-CD2 4.27Å; L343-L378 WeakPolarHBondContact CD2-O 3.26Å; K346-L378 HydrophobicContact CB-CD1 4.36Å; K346-L378 HydrophobicContact CG-CD1 4.3Å; P348-L378 HydrophobicContact CB-CD2 4.23Å; A374-L378 HydrophobicContact CB-CD2 3.97Å; S375-L378 WeakPolarHBondContact O-CA 3.23Å; S375-L378 PolarHBondContact O-N 3.27Å; T376-L378 VanDerWaalsContact C-N 3.31Å
379T87.3Confident90.4Very high105 Ų10526 Ų2664%0.64415%0.149SC*.SBendtrans-85.4-27.3179.8510000114T377T377-T379 PolarHBondContact O-N 3.36Å; T377-T379 PolarHBondContact OG1-OG1 3.37Å
380C89.3Confident90.3Very high18 Ų1826.4 Ų26.412%0.12215%0.151CC..  trans-156.8160.9-176.659.80000111E332 S375E332-C380 HydrophobicContact CG-CB 4.09Å; E332-C380 PolarHBondContact OE1-SG 2.95Å; S375-C380 WeakPolarHBondContact CB-O 3.29Å; S375-C380 PolarHBondContact N-O 3.47Å
381V91.4Very high90.1Very high2 Ų228.8 Ų28.81%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-102141.1172.1-178.80000108.8L333 T339 V342 L343 L372L333-V381 WeakPolarHBondContact CB-O 3.2Å; L333-V381 PolarHBondContact N-O 3.4Å; T339-V381 HydrophobicContact CG2-CB 3.82Å; T339-V381 HydrophobicContact CG2-CG2 3.89Å; V342-V381 HydrophobicContact CB-CG2 3.92Å; V342-V381 HydrophobicContact CG1-CG1 4.16Å; V342-V381 HydrophobicContact CG1-CG2 3.67Å; L343-V381 HydrophobicContact CD2-CG2 4.15Å; L343-V381 HydrophobicContact CG-CG2 3.99Å; L372-V381 HydrophobicContact CB-CG1 4.42Å; L372-V381 HydrophobicContact CD2-CG1 4.42Å
382N92Very high90Very high6 Ų631.4 Ų31.43%0.03218%0.184CC..EExtended strand (participates in β ladder)trans-119.1136-178.6-61.2-94.2000110K330 Y331 K373 F384K330-N382 WeakPolarHBondContact CE-OD1 3.38Å; K330-N382 HydrophobicContact CG-CB 4.18Å; Y331-N382 CarbonylContact O-C 3.49Å; Y331-N382 WeakPolarHBondContact O-CA 3.29Å; K373-N382 PolarHBondContact N-O 3.27Å; K373-N382 PolarHBondContact O-N 3.16Å; N382-F384 HydrophobicContact CB-CD2 4.21Å; N382-F384 HydrophobicContact CB-CE2 3.71Å; N382-F384 HydrophobicContact CB-CZ 4.36Å
383L92.6Very high89.8Confident1 Ų131.3 Ų31.31%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-86.1118.6164.217863.9000108.3I272 Y331 V354 L372 V385I272-L383 HydrophobicContact CD1-CB 4.49Å; I272-L383 HydrophobicContact CD1-CD2 3.59Å; Y331-L383 PolarHBondContact N-O 3.33Å; Y331-L383 PolarHBondContact O-N 2.98Å; V354-L383 HydrophobicContact CG1-CD1 4.35Å; V354-L383 HydrophobicContact CG2-CD1 3.82Å; L372-L383 HydrophobicContact CD2-CB 4.07Å; L372-L383 HydrophobicContact CD2-CD1 3.96Å; L372-L383 HydrophobicContact CG-CD1 4.49Å; L383-V385 HydrophobicContact CD2-CG2 4.01Å; L383-V385 HydrophobicContact CG-CG2 3.98Å
384F91.8Very high89.6Confident29 Ų2929.3 Ų29.313%0.12718%0.175CC..EExtended strand (participates in β ladder)trans-96.6112.2170.2-71.7-94.7000108.6F328 D329 K330 G370 Y371 K373 N382F328-F384 AromaticContact CD2-CD1 3.86Å; F328-F384 HydrophobicContact CD2-CD1 3.86Å; F328-F384 HydrophobicContact CD2-CE1 4.15Å; F328-F384 HydrophobicContact CE2-CD1 4.07Å; F328-F384 AromaticContact CE2-CE1 3.87Å; F328-F384 HydrophobicContact CE2-CE1 3.87Å; D329-F384 WeakPolarHBondContact O-CA 3.37Å; K330-F384 HydrophobicContact CB-CD1 4.3Å; K330-F384 HydrophobicContact CB-CE1 4.09Å; K330-F384 HydrophobicContact CD-CE1 4.09Å; K330-F384 HydrophobicContact CD-CZ 4.02Å; K330-F384 HydrophobicContact CG-CD1 4.44Å; K330-F384 HydrophobicContact CG-CE1 3.93Å; K330-F384 HydrophobicContact CG-CZ 4.02Å; G370-F384 CarbonylContact C-O 3.59Å; G370-F384 WeakPolarHBondContact CA-O 3.26Å; Y371-F384 HydrophobicContact CD2-CB 3.91Å; Y371-F384 HydrophobicContact CD2-CD2 4.08Å; Y371-F384 HydrophobicContact CD2-CG 4.27Å; Y371-F384 HydrophobicContact CE1-CB 4.22Å; Y371-F384 HydrophobicContact CE2-CB 3.54Å; Y371-F384 HydrophobicContact CE2-CD1 4.45Å; Y371-F384 AromaticContact CE2-CD2 3.63Å; Y371-F384 HydrophobicContact CE2-CD2 3.63Å; Y371-F384 HydrophobicContact CE2-CE2 4.45Å; Y371-F384 AromaticContact CE2-CG 3.62Å; Y371-F384 HydrophobicContact CE2-CG 3.62Å; Y371-F384 HydrophobicContact CG-CB 4.4Å; Y371-F384 PolarHBondContact N-O 3.36Å; Y371-F384 PolarHBondContact O-N 3.15Å; K373-F384 HydrophobicContact CB-CD2 4.01Å; K373-F384 HydrophobicContact CB-CE2 3.91Å; K373-F384 HydrophobicContact CD-CE2 4.34Å; N382-F384 HydrophobicContact CB-CD2 4.21Å; N382-F384 HydrophobicContact CB-CE2 3.71Å; N382-F384 HydrophobicContact CB-CZ 4.36Å
385V92.5Very high89.5Confident0 Ų031.6 Ų31.60%019%0.189CC..EExtended strand (participates in β ladder)trans-93128.3176-171.60000109W287 D329 Y331 F369 L383W287-V385 HydrophobicContact CB-CG1 3.88Å; D329-V385 HydrophobicContact CB-CB 4.3Å; D329-V385 PolarHBondContact N-O 2.87Å; D329-V385 PolarHBondContact O-N 3.47Å; Y331-V385 HydrophobicContact CD2-CG2 3.89Å; Y331-V385 HydrophobicContact CE2-CB 4.41Å; Y331-V385 HydrophobicContact CE2-CG2 3.77Å; F369-V385 HydrophobicContact CD2-CG1 4.12Å; F369-V385 HydrophobicContact CE2-CG1 4.38Å; L383-V385 HydrophobicContact CD2-CG2 4.01Å; L383-V385 HydrophobicContact CG-CG2 3.98Å
386M91Very high89.3Confident8 Ų831.8 Ų31.84%0.03919%0.189CC..  trans-126.2173.7-168.8-66.6-61.7-70.200109.8L326 F328 F369 Y371 Y390 L394L326-M386 HydrophobicContact CD2-CE 3.89Å; F328-M386 HydrophobicContact CB-SD 3.68Å; F369-M386 CarbonylContact O-C 3.54Å; F369-M386 WeakPolarHBondContact O-CA 3.31Å; F369-M386 PolarHBondContact O-N 3.2Å; Y371-M386 HydrophobicContact CD1-CG 4.36Å; Y371-M386 HydrophobicContact CE1-CG 3.92Å; Y371-M386 HydrophobicContact CE1-SD 4.47Å; M386-Y390 HydrophobicContact CB-CD1 3.77Å; M386-Y390 HydrophobicContact CB-CG 3.97Å; M386-Y390 HydrophobicContact CG-CD1 4.34Å; M386-Y390 HydrophobicContact CG-CG 4.46Å; M386-L394 HydrophobicContact CE-CD1 4.19Å; M386-L394 HydrophobicContact CE-CD2 4.26Å
387P90.2Very high89.1Confident0 Ų025.9 Ų25.90%015%0.152CC..  trans-54.9147.1167.9-23.432.5000112W287 N389 Y390 L393W287-P387 HydrophobicContact CD2-CG 4.36Å; W287-P387 HydrophobicContact CE3-CB 4.44Å; W287-P387 HydrophobicContact CE3-CG 4.45Å; W287-P387 HydrophobicContact CH2-CB 4.16Å; W287-P387 HydrophobicContact CH2-CG 3.71Å; W287-P387 HydrophobicContact CZ2-CB 4.47Å; W287-P387 HydrophobicContact CZ2-CG 3.6Å; W287-P387 HydrophobicContact CZ3-CB 4.14Å; W287-P387 HydrophobicContact CZ3-CG 4.14Å; P387-N389 PolarHBondContact O-N 3.32Å; P387-Y390 WeakPolarHBondContact O-CB 3.44Å; P387-Y390 PolarHBondContact O-N 2.88Å; P387-Y390 VanDerWaalsContact O-N 3.13Å; P387-L393 HydrophobicContact CB-CD2 3.51Å; P387-L393 HydrophobicContact CG-CD2 3.72Å
388Y90.5Very high89Confident1 Ų123.6 Ų23.60%0.00414%0.137CC..THydrogen-bonded Turntrans-60.2127.9174.4-173.9-96.8000111.1P290 S359 K367 F369 Y419 M423 P424 Y427P290-Y388 HydrophobicContact CB-CD2 4.14Å; P290-Y388 HydrophobicContact CB-CE2 4.19Å; P290-Y388 HydrophobicContact CG-CD2 4.26Å; P290-Y388 HydrophobicContact CG-CE2 4.34Å; S359-Y388 PolarHBondContact O-OH 3.16Å; S359-Y388 VanDerWaalsContact O-OH 3.07Å; S359-Y388 WeakPolarHBondContact OG-CE2 3.27Å; S359-Y388 PolarHBondContact OG-OH 3.48Å; K367-Y388 HydrophobicContact CB-CE1 3.86Å; K367-Y388 HydrophobicContact CB-CE2 4.2Å; K367-Y388 HydrophobicContact CG-CE1 4.16Å; F369-Y388 HydrophobicContact CB-CD2 4.24Å; Y388-Y419 WeakPolarHBondContact O-CE2 3.37Å; Y388-Y419 PolarHBondContact O-OH 3.49Å; Y388-M423 HydrophobicContact CD1-CB 4.16Å; Y388-P424 VanDerWaalsContact CD1-CD 3.46Å; Y388-P424 HydrophobicContact CD1-CG 4.47Å; Y388-P424 HydrophobicContact CE1-CG 4.38Å; Y388-Y427 HydrophobicContact CD2-CE2 4.34Å; Y388-Y427 HydrophobicContact CG-CE2 4.42Å
389N90.3Very high89Confident15 Ų1524.1 Ų24.18%0.0814%0.14CC..THydrogen-bonded Turntrans59.742.5-172.9-164.930.9000113.6K367 P368 P387 P391 V392 L393 Y419K367-N389 HydrophobicContact CB-CB 4.03Å; K367-N389 HydrophobicContact CG-CB 4.43Å; P368-N389 VanDerWaalsContact O-CA 3.25Å; P368-N389 WeakPolarHBondContact O-CA 3.49Å; P368-N389 PolarHBondContact O-N 3.47Å; P387-N389 PolarHBondContact O-N 3.32Å; N389-P391 VanDerWaalsContact C-N 3.32Å; N389-V392 PolarHBondContact O-N 3.3Å; N389-L393 PolarHBondContact O-N 3.05Å; N389-Y419 HydrophobicContact CB-CE2 4.23Å
390Y89.4Confident88.7Confident9 Ų919.2 Ų19.24%0.03511%0.11CC..Hα-helixtrans-52.2-32.8179.275.2-93.2000115.9P368 Y371 M386 P387 V392 L393 L394P368-Y390 HydrophobicContact CB-CE1 4.08Å; Y371-Y390 HydrophobicContact CD1-CE1 4.21Å; Y371-Y390 HydrophobicContact CD1-CE2 4.3Å; Y371-Y390 AromaticContact CD1-CZ 3.75Å; Y371-Y390 WeakPolarHBondContact CD1-OH 3.08Å; Y371-Y390 HydrophobicContact CE1-CE2 4.5Å; M386-Y390 HydrophobicContact CB-CD1 3.77Å; M386-Y390 HydrophobicContact CB-CG 3.97Å; M386-Y390 HydrophobicContact CG-CD1 4.34Å; M386-Y390 HydrophobicContact CG-CG 4.46Å; P387-Y390 WeakPolarHBondContact O-CB 3.44Å; P387-Y390 PolarHBondContact O-N 2.88Å; P387-Y390 VanDerWaalsContact O-N 3.13Å; Y390-V392 PolarHBondContact O-N 3.39Å; Y390-V392 VanDerWaalsContact O-N 3.12Å; Y390-L393 PolarHBondContact O-N 3.31Å; Y390-L393 VanDerWaalsContact O-N 3.12Å; Y390-L394 HydrophobicContact CD2-CD1 3.69Å; Y390-L394 HydrophobicContact CD2-CG 4.32Å; Y390-L394 WeakPolarHBondContact O-CG 3.36Å; Y390-L394 PolarHBondContact O-N 3.03Å
391P89Confident88.3Confident51 Ų5120.3 Ų20.333%0.33111%0.113SC..Hα-helixtrans-62.5-22.7-179.2-24.536.5000114P368 N389 P395P368-P391 HydrophobicContact CG-CG 3.78Å; N389-P391 VanDerWaalsContact C-N 3.32Å; P391-P395 WeakPolarHBondContact O-CD 3.47Å; P391-P395 WeakPolarHBondContact O-CG 3.48Å
392V88.8Confident87.8Confident68 Ų6827.1 Ų27.141%0.41214%0.142SC..Hα-helixtrans-90-38.1173.4-179.30000111.4N389 Y390 L396 Y419N389-V392 PolarHBondContact O-N 3.3Å; Y390-V392 PolarHBondContact O-N 3.39Å; Y390-V392 VanDerWaalsContact O-N 3.12Å; V392-L396 HydrophobicContact CG1-CD1 4.28Å; V392-L396 WeakPolarHBondContact O-CD1 3.5Å; V392-L396 WeakPolarHBondContact O-CG 3.44Å; V392-Y419 HydrophobicContact CB-CD2 4.49Å; V392-Y419 HydrophobicContact CG1-CD2 4.37Å
393L87.7Confident87.2Confident0 Ų031.4 Ų31.40%017%0.168CC..Hα-helixtrans-69.9-42.6-178.7-179.464.9000112.7P387 N389 Y390 L396 L397 F416 Y419 L431P387-L393 HydrophobicContact CB-CD2 3.51Å; P387-L393 HydrophobicContact CG-CD2 3.72Å; N389-L393 PolarHBondContact O-N 3.05Å; Y390-L393 PolarHBondContact O-N 3.31Å; Y390-L393 VanDerWaalsContact O-N 3.12Å; L393-L396 PolarHBondContact O-N 3.14Å; L393-L397 HydrophobicContact CD1-CD1 4.15Å; L393-L397 HydrophobicContact CD1-CD2 4.35Å; L393-L397 HydrophobicContact CD1-CG 3.99Å; L393-L397 HydrophobicContact CD2-CD1 4.13Å; L393-L397 HydrophobicContact CG-CD1 3.8Å; L393-L397 HydrophobicContact CG-CG 4.05Å; L393-L397 WeakPolarHBondContact O-CG 3.34Å; L393-L397 PolarHBondContact O-N 2.89Å; L393-F416 HydrophobicContact CD1-CD2 4.48Å; L393-F416 HydrophobicContact CD1-CE2 4.05Å; L393-Y419 HydrophobicContact CB-CD2 4.43Å; L393-Y419 HydrophobicContact CB-CE2 3.82Å; L393-Y419 HydrophobicContact CD1-CD1 4.28Å; L393-Y419 HydrophobicContact CD1-CE1 3.9Å; L393-Y419 HydrophobicContact CD2-CE1 4.49Å; L393-L431 HydrophobicContact CD2-CD1 3.96Å
394L87.9Confident86.3Confident3 Ų333.9 Ų33.92%0.01618%0.18CC..Hα-helixtrans-61.5-48.5-173.5-64.7-177.3000112.2M321 I323 L326 M386 Y390 L396 L397 D398M321-L394 HydrophobicContact CB-CD1 4.31Å; M321-L394 VanDerWaalsContact CE-C 3.48Å; M321-L394 HydrophobicContact CE-CB 3.39Å; M321-L394 WeakPolarHBondContact O-CD1 3.12Å; I323-L394 HydrophobicContact CD1-CB 3.84Å; I323-L394 HydrophobicContact CD1-CD2 3.72Å; I323-L394 HydrophobicContact CD1-CG 4.34Å; I323-L394 WeakPolarHBondContact CD1-O 3.47Å; I323-L394 HydrophobicContact CG1-CD2 4.21Å; L326-L394 HydrophobicContact CD2-CD2 3.41Å; L326-L394 VanDerWaalsContact CD2-CD2 3.41Å; M386-L394 HydrophobicContact CE-CD1 4.19Å; M386-L394 HydrophobicContact CE-CD2 4.26Å; Y390-L394 HydrophobicContact CD2-CD1 3.69Å; Y390-L394 HydrophobicContact CD2-CG 4.32Å; Y390-L394 WeakPolarHBondContact O-CG 3.36Å; Y390-L394 PolarHBondContact O-N 3.03Å; L394-L396 VanDerWaalsContact C-N 3.32Å; L394-L396 PolarHBondContact O-N 2.92Å; L394-L397 PolarHBondContact O-N 3.01Å; L394-L397 VanDerWaalsContact O-N 3.12Å; L394-D398 PolarHBondContact O-N 2.97Å
395P88.6Confident85.5Confident55 Ų5540.6 Ų40.636%0.35721%0.209SC..Hα-helixtrans-57.9-42.8175.2-24.434.1000112.8M321 P391 L397 D398 D399M321-P395 HydrophobicContact CE-CB 4.43Å; M321-P395 HydrophobicContact CE-CG 3.85Å; P391-P395 WeakPolarHBondContact O-CD 3.47Å; P391-P395 WeakPolarHBondContact O-CG 3.48Å; P395-L397 VanDerWaalsContact C-N 3.3Å; P395-L397 PolarHBondContact O-N 3.02Å; P395-D398 PolarHBondContact O-N 3.03Å; P395-D399 PolarHBondContact O-N 2.97Å
396L85.1Confident84.6Confident22 Ų2245.4 Ų45.412%0.11523%0.23CC..Hα-helixtrans-60.9-37.8176.8-67.5173.3000112.2V392 L393 L394 L400 W412 A415V392-L396 HydrophobicContact CG1-CD1 4.28Å; V392-L396 WeakPolarHBondContact O-CD1 3.5Å; V392-L396 WeakPolarHBondContact O-CG 3.44Å; L393-L396 PolarHBondContact O-N 3.14Å; L394-L396 VanDerWaalsContact C-N 3.32Å; L394-L396 PolarHBondContact O-N 2.92Å; L396-L400 WeakPolarHBondContact O-CB 3.47Å; L396-L400 PolarHBondContact O-N 3.23Å; L396-L400 VanDerWaalsContact O-N 3.12Å; L396-W412 PolarHBondContact O-NE1 3.46Å; L396-A415 HydrophobicContact CD2-CB 3.95Å
397L83.9Confident83.9Confident0 Ų053.3 Ų53.30%026%0.264CS..Hα-helixtrans-70.4-41175.6-69.6178.8000112I323 L326 L393 L394 P395 L400 F401 M435I323-L397 HydrophobicContact CD1-CB 3.88Å; L326-L397 HydrophobicContact CD1-CD1 4.22Å; L393-L397 HydrophobicContact CD1-CD1 4.15Å; L393-L397 HydrophobicContact CD1-CD2 4.35Å; L393-L397 HydrophobicContact CD1-CG 3.99Å; L393-L397 HydrophobicContact CD2-CD1 4.13Å; L393-L397 HydrophobicContact CG-CD1 3.8Å; L393-L397 HydrophobicContact CG-CG 4.05Å; L393-L397 WeakPolarHBondContact O-CG 3.34Å; L393-L397 PolarHBondContact O-N 2.89Å; L394-L397 PolarHBondContact O-N 3.01Å; L394-L397 VanDerWaalsContact O-N 3.12Å; P395-L397 VanDerWaalsContact C-N 3.3Å; P395-L397 PolarHBondContact O-N 3.02Å; L397-L400 WeakPolarHBondContact O-CB 3.48Å; L397-L400 PolarHBondContact O-N 2.71Å; L397-L400 VanDerWaalsContact O-N 3.15Å; L397-F401 HydrophobicContact CB-CE2 3.93Å; L397-F401 HydrophobicContact CD2-CZ 4.47Å; L397-F401 WeakPolarHBondContact O-CD2 3.2Å; L397-F401 WeakPolarHBondContact O-CE2 3.44Å; L397-F401 WeakPolarHBondContact O-CG 3.34Å; L397-F401 PolarHBondContact O-N 3.31Å; L397-F401 VanDerWaalsContact O-N 3.11Å; L397-M435 HydrophobicContact CD1-CE 3.79Å; L397-M435 HydrophobicContact CD2-CE 3.69Å; L397-M435 HydrophobicContact CD2-SD 3.66Å; L397-M435 HydrophobicContact CG-CE 4.42Å
398D84.8Confident83.2Confident40 Ų4054.3 Ų54.321%0.21427%0.27CS..Hα-helixtrans-63.3-43.6178.5-162.848.8000111.7I323 L394 P395 L400 F401 K402I323-D398 HydrophobicContact CD1-CB 4.3Å; L394-D398 PolarHBondContact O-N 2.97Å; P395-D398 PolarHBondContact O-N 3.03Å; D398-L400 VanDerWaalsContact C-N 3.32Å; D398-L400 PolarHBondContact O-N 2.69Å; D398-F401 PolarHBondContact O-N 3.14Å; D398-K402 WeakPolarHBondContact O-CB 3.44Å; D398-K402 PolarHBondContact O-N 2.83Å; D398-K402 WeakPolarHBondContact OD1-CD 3.41Å; D398-K402 WeakPolarHBondContact OD1-CE 3.39Å; D398-K402 IonicContact OD1-NZ 2.81Å; D398-K402 PolarHBondContact OD1-NZ 3.14Å; D398-K402 WeakPolarHBondContact OD2-CD 3.37Å; D398-K402 WeakPolarHBondContact OD2-CE 3.28Å; D398-K402 IonicContact OD2-NZ 2.73Å; D398-K402 PolarHBondContact OD2-NZ 3.1Å
399D84.4Confident82.7Confident74 Ų7458.4 Ų58.440%0.39629%0.293SS..Hα-helixtrans-58.2-41170.7-77.7-19.2000112.2P395 F401 V403 H404P395-D399 PolarHBondContact O-N 2.97Å; D399-F401 VanDerWaalsContact C-N 3.32Å; D399-F401 PolarHBondContact O-N 2.89Å; D399-V403 WeakPolarHBondContact O-CA 3.23Å; D399-V403 VanDerWaalsContact O-CB 3.3Å; D399-V403 WeakPolarHBondContact O-CB 3.46Å; D399-V403 PolarHBondContact O-N 3.03Å; D399-H404 PolarHBondContact O-N 2.92Å
400L81.4Confident82.3Confident1 Ų163.1 Ų63.11%0.00532%0.317CS..Hα-helixtrans-62.8-39.1179.6-177.666.2000112.1L396 L397 D398 H404 K405 F406 P408 W412 L443L396-L400 WeakPolarHBondContact O-CB 3.47Å; L396-L400 PolarHBondContact O-N 3.23Å; L396-L400 VanDerWaalsContact O-N 3.12Å; L397-L400 WeakPolarHBondContact O-CB 3.48Å; L397-L400 PolarHBondContact O-N 2.71Å; L397-L400 VanDerWaalsContact O-N 3.15Å; D398-L400 VanDerWaalsContact C-N 3.32Å; D398-L400 PolarHBondContact O-N 2.69Å; L400-H404 HydrophobicContact CD1-CB 4.33Å; L400-H404 CarbonylContact O-C 3.55Å; L400-K405 PolarHBondContact O-N 3.31Å; L400-K405 VanDerWaalsContact O-N 3.12Å; L400-F406 PolarHBondContact O-N 2.92Å; L400-F406 VanDerWaalsContact O-N 3.09Å; L400-P408 HydrophobicContact CD1-CB 4.02Å; L400-W412 HydrophobicContact CB-CZ2 3.94Å; L400-W412 HydrophobicContact CD1-CH2 4.49Å; L400-W412 HydrophobicContact CD1-CZ2 4.22Å; L400-W412 HydrophobicContact CD2-CH2 4.02Å; L400-W412 HydrophobicContact CD2-CZ2 3.84Å; L400-W412 HydrophobicContact CG-CZ2 4.21Å; L400-L443 HydrophobicContact CD2-CD1 3.84Å
401F81.1Confident82.1Confident42 Ų4270.5 Ų70.518%0.18435%0.349CS..Hα-helixtrans-82.4-49.5-178.8-56.1-47.4000112.4I323 L397 D398 D399 F406 M438I323-F401 HydrophobicContact CG2-CD2 4.26Å; I323-F401 HydrophobicContact CG2-CE2 4.14Å; L397-F401 HydrophobicContact CB-CE2 3.93Å; L397-F401 HydrophobicContact CD2-CZ 4.47Å; L397-F401 WeakPolarHBondContact O-CD2 3.2Å; L397-F401 WeakPolarHBondContact O-CE2 3.44Å; L397-F401 WeakPolarHBondContact O-CG 3.34Å; L397-F401 PolarHBondContact O-N 3.31Å; L397-F401 VanDerWaalsContact O-N 3.11Å; D398-F401 PolarHBondContact O-N 3.14Å; D399-F401 VanDerWaalsContact C-N 3.32Å; D399-F401 PolarHBondContact O-N 2.89Å; F401-F406 HydrophobicContact CD1-CD1 4.18Å; F401-F406 AromaticContact CD1-CE1 3.59Å; F401-F406 HydrophobicContact CD1-CE1 3.59Å; F401-F406 HydrophobicContact CD1-CE2 4.25Å; F401-F406 AromaticContact CD1-CZ 3.63Å; F401-F406 HydrophobicContact CD1-CZ 3.63Å; F401-F406 HydrophobicContact CE1-CD1 4.11Å; F401-F406 AromaticContact CE1-CE1 3.47Å; F401-F406 HydrophobicContact CE1-CE1 3.47Å; F401-F406 VanDerWaalsContact CE1-CE1 3.47Å; F401-F406 AromaticContact CE1-CZ 3.92Å; F401-F406 HydrophobicContact CE1-CZ 3.92Å; F401-M438 HydrophobicContact CD2-CE 4.31Å; F401-M438 HydrophobicContact CE1-CB 4.42Å; F401-M438 HydrophobicContact CE1-CE 4.47Å; F401-M438 HydrophobicContact CE2-CE 3.27Å; F401-M438 HydrophobicContact CZ-CB 4.04Å; F401-M438 HydrophobicContact CZ-CE 3.39Å; F401-M438 HydrophobicContact CZ-CG 4.35Å
402K81.8Confident82.1Confident144 Ų14468.7 Ų68.763%0.62634%0.336SS*.Hα-helixtrans-76.8-50-175.4-68.6177.2-179.9158.50112.7D398D398-K402 WeakPolarHBondContact O-CB 3.44Å; D398-K402 PolarHBondContact O-N 2.83Å; D398-K402 WeakPolarHBondContact OD1-CD 3.41Å; D398-K402 WeakPolarHBondContact OD1-CE 3.39Å; D398-K402 IonicContact OD1-NZ 2.81Å; D398-K402 PolarHBondContact OD1-NZ 3.14Å; D398-K402 WeakPolarHBondContact OD2-CD 3.37Å; D398-K402 WeakPolarHBondContact OD2-CE 3.28Å; D398-K402 IonicContact OD2-NZ 2.73Å; D398-K402 PolarHBondContact OD2-NZ 3.1Å
403V77.4Confident81.9Confident96 Ų9671.6 Ų71.658%0.58234%0.339SS*.THydrogen-bonded Turntrans-88.5-47.5-172.5-173.50000111D399D399-V403 WeakPolarHBondContact O-CA 3.23Å; D399-V403 VanDerWaalsContact O-CB 3.3Å; D399-V403 WeakPolarHBondContact O-CB 3.46Å; D399-V403 PolarHBondContact O-N 3.03Å
404H73.6Confident81.9Confident54 Ų5476 Ų7625%0.2536%0.36CS..SBendtrans-96.9-6.1-168.3-72.2-48.7000115.8D399 L400 F406 K407D399-H404 PolarHBondContact O-N 2.92Å; L400-H404 HydrophobicContact CD1-CB 4.33Å; L400-H404 CarbonylContact O-C 3.55Å; H404-F406 VanDerWaalsContact C-N 3.28Å; H404-F406 PolarHBondContact O-N 3.09Å; H404-K407 PolarHBondContact O-N 2.78Å
405K77.1Confident81.9Confident169 Ų16977.6 Ų77.674%0.73537%0.374SS*.THydrogen-bonded Turntrans44.651.2179.3-62-177.9179.81790112.4L400 K407L400-K405 PolarHBondContact O-N 3.31Å; L400-K405 VanDerWaalsContact O-N 3.12Å; K405-K407 PolarHBondContact O-N 3.42Å
406F72.9Confident81.9Confident102 Ų10275.3 Ų75.345%0.44736%0.358SS..THydrogen-bonded Turntrans66.17.4-178-57-94.6000116.7L400 F401 H404 P408 M438 A440L400-F406 PolarHBondContact O-N 2.92Å; L400-F406 VanDerWaalsContact O-N 3.09Å; F401-F406 HydrophobicContact CD1-CD1 4.18Å; F401-F406 AromaticContact CD1-CE1 3.59Å; F401-F406 HydrophobicContact CD1-CE1 3.59Å; F401-F406 HydrophobicContact CD1-CE2 4.25Å; F401-F406 AromaticContact CD1-CZ 3.63Å; F401-F406 HydrophobicContact CD1-CZ 3.63Å; F401-F406 HydrophobicContact CE1-CD1 4.11Å; F401-F406 AromaticContact CE1-CE1 3.47Å; F401-F406 HydrophobicContact CE1-CE1 3.47Å; F401-F406 VanDerWaalsContact CE1-CE1 3.47Å; F401-F406 AromaticContact CE1-CZ 3.92Å; F401-F406 HydrophobicContact CE1-CZ 3.92Å; H404-F406 VanDerWaalsContact C-N 3.28Å; H404-F406 PolarHBondContact O-N 3.09Å; F406-P408 VanDerWaalsContact O-CD 3.3Å; F406-P408 WeakPolarHBondContact O-CD 3.46Å; F406-M438 WeakPolarHBondContact CE1-O 3.3Å; F406-A440 HydrophobicContact CD1-CB 4.04Å; F406-A440 HydrophobicContact CE1-CB 4.38Å
407K75.4Confident81.9Confident173 Ų17379.1 Ų79.175%0.75238%0.375SS*.  trans-10989.9175.9-69.6-173.5177.9-178.50111.4H404 K405 N409H404-K407 PolarHBondContact O-N 2.78Å; K405-K407 PolarHBondContact O-N 3.42Å; K407-N409 PolarHBondContact O-N 2.93Å
408P75.5Confident82.1Confident21 Ų2185.1 Ų85.114%0.13641%0.405CS..  trans-68.9126-172.728-36.5000113.2L400 F406 W412 R413 L443L400-P408 HydrophobicContact CD1-CB 4.02Å; F406-P408 VanDerWaalsContact O-CD 3.3Å; F406-P408 WeakPolarHBondContact O-CD 3.46Å; P408-W412 HydrophobicContact CB-CD2 3.96Å; P408-W412 HydrophobicContact CB-CE3 3.32Å; P408-W412 HydrophobicContact CB-CZ3 3.78Å; P408-W412 HydrophobicContact CG-CE3 4.43Å; P408-W412 HydrophobicContact CG-CZ3 4.5Å; P408-R413 HydrophobicContact CB-CG 4.02Å; P408-R413 HydrophobicContact CG-CG 4.32Å; P408-R413 PolarHBondContact O-NE 3.21Å; P408-R413 VanDerWaalsContact O-NE 3.13Å; P408-L443 HydrophobicContact CG-CD2 3.86Å
409N80.9Confident82.3Confident88 Ų8883.5 Ų83.547%0.47140%0.396SS..  trans-69.7159.4173.3-168.74.8000111.8K407 K411 W412 R413K407-N409 PolarHBondContact O-N 2.93Å; N409-K411 PolarHBondContact O-N 3.46Å; N409-W412 WeakPolarHBondContact O-CB 3.42Å; N409-W412 PolarHBondContact O-N 3Å; N409-W412 VanDerWaalsContact O-N 3.08Å; N409-R413 WeakPolarHBondContact O-CG 3.39Å; N409-R413 PolarHBondContact O-N 3.06Å
410L82.4Confident82.4Confident114 Ų11482 Ų8260%0.59739%0.388SS*.Hα-helixtrans-57.2-44.2-177.1-175.963000112.8W412 R413 Q414L410-W412 VanDerWaalsContact C-N 3.33Å; L410-W412 PolarHBondContact O-N 2.66Å; L410-R413 PolarHBondContact O-N 2.79Å; L410-Q414 WeakPolarHBondContact O-CG 3.49Å; L410-Q414 PolarHBondContact O-N 2.79Å
411K85.4Confident82.6Confident164 Ų16489.5 Ų89.571%0.71342%0.42SS*.Hα-helixtrans-60-41.5175.4-67.4-173.3177.6-175.70112.3N409 Q414 A415N409-K411 PolarHBondContact O-N 3.46Å; K411-Q414 PolarHBondContact O-N 2.84Å; K411-A415 PolarHBondContact O-N 2.91Å
412W88.4Confident82.8Confident12 Ų1290.7 Ų90.75%0.04543%0.431CS..Hα-helixtrans-65.2-43.5176.8-174.299.6000111.2L396 L400 P408 N409 L410 Q414 A415 F416 L443L396-W412 PolarHBondContact O-NE1 3.46Å; L400-W412 HydrophobicContact CB-CZ2 3.94Å; L400-W412 HydrophobicContact CD1-CH2 4.49Å; L400-W412 HydrophobicContact CD1-CZ2 4.22Å; L400-W412 HydrophobicContact CD2-CH2 4.02Å; L400-W412 HydrophobicContact CD2-CZ2 3.84Å; L400-W412 HydrophobicContact CG-CZ2 4.21Å; P408-W412 HydrophobicContact CB-CD2 3.96Å; P408-W412 HydrophobicContact CB-CE3 3.32Å; P408-W412 HydrophobicContact CB-CZ3 3.78Å; P408-W412 HydrophobicContact CG-CE3 4.43Å; P408-W412 HydrophobicContact CG-CZ3 4.5Å; N409-W412 WeakPolarHBondContact O-CB 3.42Å; N409-W412 PolarHBondContact O-N 3Å; N409-W412 VanDerWaalsContact O-N 3.08Å; L410-W412 VanDerWaalsContact C-N 3.33Å; L410-W412 PolarHBondContact O-N 2.66Å; W412-Q414 VanDerWaalsContact C-N 3.35Å; W412-Q414 PolarHBondContact O-N 3.37Å; W412-A415 PolarHBondContact O-N 2.89Å; W412-F416 HydrophobicContact CE3-CB 3.95Å; W412-F416 HydrophobicContact CE3-CG 4.5Å; W412-F416 HydrophobicContact CH2-CB 3.93Å; W412-F416 HydrophobicContact CH2-CD1 4.08Å; W412-F416 AromaticContact CH2-CD2 3.76Å; W412-F416 HydrophobicContact CH2-CD2 3.76Å; W412-F416 HydrophobicContact CH2-CE2 4.27Å; W412-F416 AromaticContact CH2-CG 3.65Å; W412-F416 HydrophobicContact CH2-CG 3.65Å; W412-F416 HydrophobicContact CZ2-CB 4.48Å; W412-F416 HydrophobicContact CZ2-CD2 4.25Å; W412-F416 HydrophobicContact CZ2-CG 4.43Å; W412-F416 HydrophobicContact CZ3-CB 3.64Å; W412-F416 AromaticContact CZ3-CD1 3.94Å; W412-F416 HydrophobicContact CZ3-CD1 3.94Å; W412-F416 HydrophobicContact CZ3-CD2 4.29Å; W412-F416 AromaticContact CZ3-CG 3.7Å; W412-F416 HydrophobicContact CZ3-CG 3.7Å; W412-F416 WeakPolarHBondContact O-CB 3.28Å; W412-F416 PolarHBondContact O-N 2.82Å; W412-L443 HydrophobicContact CH2-CD1 4.5Å; W412-L443 HydrophobicContact CH2-CD2 4.22Å; W412-L443 HydrophobicContact CZ3-CD2 4.01Å
413R84.4Confident83.1Confident129 Ų12984.1 Ų84.149%0.48740%0.402SS..Hα-helixtrans-60.5-44.1176.4-66.6-177.6-169-145.22.7111.6P408 N409 L410 A415 F416 E417P408-R413 HydrophobicContact CB-CG 4.02Å; P408-R413 HydrophobicContact CG-CG 4.32Å; P408-R413 PolarHBondContact O-NE 3.21Å; P408-R413 VanDerWaalsContact O-NE 3.13Å; N409-R413 WeakPolarHBondContact O-CG 3.39Å; N409-R413 PolarHBondContact O-N 3.06Å; L410-R413 PolarHBondContact O-N 2.79Å; R413-A415 PolarHBondContact O-N 3.11Å; R413-F416 PolarHBondContact O-N 3.19Å; R413-E417 WeakPolarHBondContact O-CB 3.44Å; R413-E417 WeakPolarHBondContact O-CG 3.49Å; R413-E417 PolarHBondContact O-N 2.94Å
414Q87.7Confident83.6Confident93 Ų9379.5 Ų79.544%0.43538%0.375SS..Hα-helixtrans-60.4-45.8175.9-71.8170.6-14.100111.8L410 K411 W412 E417 M418L410-Q414 WeakPolarHBondContact O-CG 3.49Å; L410-Q414 PolarHBondContact O-N 2.79Å; K411-Q414 PolarHBondContact O-N 2.84Å; W412-Q414 VanDerWaalsContact C-N 3.35Å; W412-Q414 PolarHBondContact O-N 3.37Å; Q414-E417 PolarHBondContact O-N 3.38Å; Q414-M418 VanDerWaalsContact O-CG 3.3Å; Q414-M418 WeakPolarHBondContact O-CG 3.47Å; Q414-M418 PolarHBondContact O-N 2.78Å
415A87.5Confident84.2Confident36 Ų3679.3 Ų79.330%0.29838%0.378SS..Hα-helixtrans-63.1-41.317600000112.5L396 K411 W412 R413 M418 Y419L396-A415 HydrophobicContact CD2-CB 3.95Å; K411-A415 PolarHBondContact O-N 2.91Å; W412-A415 PolarHBondContact O-N 2.89Å; R413-A415 PolarHBondContact O-N 3.11Å; A415-M418 PolarHBondContact O-N 2.91Å; A415-Y419 PolarHBondContact O-N 3Å
416F87.9Confident84.7Confident7 Ų771.8 Ų71.83%0.03135%0.345CS..Hα-helixtrans-66.8-41.5176.3-173-110.7000112.2L393 W412 R413 M418 Y419 L420 L431 I444L393-F416 HydrophobicContact CD1-CD2 4.48Å; L393-F416 HydrophobicContact CD1-CE2 4.05Å; W412-F416 HydrophobicContact CE3-CB 3.95Å; W412-F416 HydrophobicContact CE3-CG 4.5Å; W412-F416 HydrophobicContact CH2-CB 3.93Å; W412-F416 HydrophobicContact CH2-CD1 4.08Å; W412-F416 AromaticContact CH2-CD2 3.76Å; W412-F416 HydrophobicContact CH2-CD2 3.76Å; W412-F416 HydrophobicContact CH2-CE2 4.27Å; W412-F416 AromaticContact CH2-CG 3.65Å; W412-F416 HydrophobicContact CH2-CG 3.65Å; W412-F416 HydrophobicContact CZ2-CB 4.48Å; W412-F416 HydrophobicContact CZ2-CD2 4.25Å; W412-F416 HydrophobicContact CZ2-CG 4.43Å; W412-F416 HydrophobicContact CZ3-CB 3.64Å; W412-F416 AromaticContact CZ3-CD1 3.94Å; W412-F416 HydrophobicContact CZ3-CD1 3.94Å; W412-F416 HydrophobicContact CZ3-CD2 4.29Å; W412-F416 AromaticContact CZ3-CG 3.7Å; W412-F416 HydrophobicContact CZ3-CG 3.7Å; W412-F416 WeakPolarHBondContact O-CB 3.28Å; W412-F416 PolarHBondContact O-N 2.82Å; R413-F416 PolarHBondContact O-N 3.19Å; F416-M418 PolarHBondContact O-N 3.1Å; F416-Y419 HydrophobicContact CD2-CD1 4.38Å; F416-Y419 HydrophobicContact CE2-CD1 4.33Å; F416-Y419 WeakPolarHBondContact O-CB 3.41Å; F416-Y419 PolarHBondContact O-N 3.48Å; F416-L420 HydrophobicContact CD1-CD1 4.04Å; F416-L420 HydrophobicContact CD1-CG 4.24Å; F416-L420 HydrophobicContact CE1-CD1 3.75Å; F416-L420 HydrophobicContact CE1-CD2 4.18Å; F416-L420 HydrophobicContact CE1-CG 4.02Å; F416-L420 HydrophobicContact CZ-CD1 4.43Å; F416-L420 HydrophobicContact CZ-CD2 4.02Å; F416-L420 HydrophobicContact CZ-CG 4.3Å; F416-L420 WeakPolarHBondContact O-CG 3.48Å; F416-L420 PolarHBondContact O-N 2.88Å; F416-L431 HydrophobicContact CZ-CD2 4.48Å; F416-I444 HydrophobicContact CE1-CG1 4.35Å
417E86.8Confident85.5Confident103 Ų10367.1 Ų67.148%0.48132%0.324SS..Hα-helixtrans-64.2-37173.8-76.9173.6-154.900112.5R413 Q414 L420 K421R413-E417 WeakPolarHBondContact O-CB 3.44Å; R413-E417 WeakPolarHBondContact O-CG 3.49Å; R413-E417 PolarHBondContact O-N 2.94Å; Q414-E417 PolarHBondContact O-N 3.38Å; E417-L420 PolarHBondContact O-N 2.96Å; E417-K421 WeakPolarHBondContact O-CG 3.43Å; E417-K421 PolarHBondContact O-N 3.22Å; E417-K421 VanDerWaalsContact O-N 3.12Å
418M88Confident86.1Confident125 Ų12560 Ų6062%0.61629%0.294SS*.Hα-helixtrans-62.8-45.6170.7-71.2179.1-16000110.9Q414 A415 F416 L420 K421 T422Q414-M418 VanDerWaalsContact O-CG 3.3Å; Q414-M418 WeakPolarHBondContact O-CG 3.47Å; Q414-M418 PolarHBondContact O-N 2.78Å; A415-M418 PolarHBondContact O-N 2.91Å; F416-M418 PolarHBondContact O-N 3.1Å; M418-L420 PolarHBondContact O-N 3.07Å; M418-K421 PolarHBondContact O-N 3.13Å; M418-T422 PolarHBondContact O-N 3.15Å
419Y88.8Confident86.7Confident7 Ų764.5 Ų64.53%0.02732%0.317CS..Hα-helixtrans-57.8-47.2173.7166.4-90.3000111.8Y388 N389 V392 L393 A415 F416 K421 T422 M423 L431Y388-Y419 WeakPolarHBondContact O-CE2 3.37Å; Y388-Y419 PolarHBondContact O-OH 3.49Å; N389-Y419 HydrophobicContact CB-CE2 4.23Å; V392-Y419 HydrophobicContact CB-CD2 4.49Å; V392-Y419 HydrophobicContact CG1-CD2 4.37Å; L393-Y419 HydrophobicContact CB-CD2 4.43Å; L393-Y419 HydrophobicContact CB-CE2 3.82Å; L393-Y419 HydrophobicContact CD1-CD1 4.28Å; L393-Y419 HydrophobicContact CD1-CE1 3.9Å; L393-Y419 HydrophobicContact CD2-CE1 4.49Å; A415-Y419 PolarHBondContact O-N 3Å; F416-Y419 HydrophobicContact CD2-CD1 4.38Å; F416-Y419 HydrophobicContact CE2-CD1 4.33Å; F416-Y419 WeakPolarHBondContact O-CB 3.41Å; F416-Y419 PolarHBondContact O-N 3.48Å; Y419-K421 PolarHBondContact O-N 3.34Å; Y419-T422 PolarHBondContact O-N 2.83Å; Y419-T422 PolarHBondContact O-OG1 3.03Å; Y419-M423 HydrophobicContact CD1-SD 4.22Å; Y419-M423 HydrophobicContact CE1-CG 4.43Å; Y419-M423 HydrophobicContact CE1-SD 3.53Å; Y419-M423 VanDerWaalsContact CE1-SD 3.53Å; Y419-M423 PolarHBondContact O-N 3.11Å; Y419-L431 HydrophobicContact CE1-CD2 4.09Å
420L86.8Confident87Confident42 Ų4261.5 Ų61.522%0.2230%0.302CS..Hα-helixtrans-57.9-31.4177.2-70.4-176.2000112.8F416 E417 M418 M423 L428 L431F416-L420 HydrophobicContact CD1-CD1 4.04Å; F416-L420 HydrophobicContact CD1-CG 4.24Å; F416-L420 HydrophobicContact CE1-CD1 3.75Å; F416-L420 HydrophobicContact CE1-CD2 4.18Å; F416-L420 HydrophobicContact CE1-CG 4.02Å; F416-L420 HydrophobicContact CZ-CD1 4.43Å; F416-L420 HydrophobicContact CZ-CD2 4.02Å; F416-L420 HydrophobicContact CZ-CG 4.3Å; F416-L420 WeakPolarHBondContact O-CG 3.48Å; F416-L420 PolarHBondContact O-N 2.88Å; E417-L420 PolarHBondContact O-N 2.96Å; M418-L420 PolarHBondContact O-N 3.07Å; L420-M423 HydrophobicContact CD2-CE 4.49Å; L420-M423 HydrophobicContact CD2-SD 3.56Å; L420-M423 VanDerWaalsContact CD2-SD 3.56Å; L420-M423 VanDerWaalsContact O-CG 3.28Å; L420-M423 WeakPolarHBondContact O-CG 2.84Å; L420-L428 HydrophobicContact CD2-CD1 3.92Å; L420-L431 HydrophobicContact CD2-CD2 3.98Å
421K84.7Confident87.3Confident158 Ų15856.1 Ų56.169%0.68727%0.274SS*.Hα-helixtrans-74.7-22.4174.1-70.6168.9-177.2173.30113.8E417 M418 Y419E417-K421 WeakPolarHBondContact O-CG 3.43Å; E417-K421 PolarHBondContact O-N 3.22Å; E417-K421 VanDerWaalsContact O-N 3.12Å; M418-K421 PolarHBondContact O-N 3.13Å; Y419-K421 PolarHBondContact O-N 3.34Å
422T85.6Confident87.4Confident67 Ų6749.7 Ų49.741%0.41125%0.246SC..Hα-helixtrans-89.5-21.8179.264.10000114.4M418 Y419M418-T422 PolarHBondContact O-N 3.15Å; Y419-T422 PolarHBondContact O-N 2.83Å; Y419-T422 PolarHBondContact O-OG1 3.03Å
423M87.4Confident87.3Confident6 Ų653.9 Ų53.93%0.0327%0.265CS..SBendtrans-84.5146.4178.357.7177-88.500112.4W294 Y388 Y419 L420 Y427 L428 L431W294-M423 VanDerWaalsContact CH2-C 3.47Å; W294-M423 VanDerWaalsContact CH2-O 3.31Å; W294-M423 WeakPolarHBondContact CH2-O 3.14Å; Y388-M423 HydrophobicContact CD1-CB 4.16Å; Y419-M423 HydrophobicContact CD1-SD 4.22Å; Y419-M423 HydrophobicContact CE1-CG 4.43Å; Y419-M423 HydrophobicContact CE1-SD 3.53Å; Y419-M423 VanDerWaalsContact CE1-SD 3.53Å; Y419-M423 PolarHBondContact O-N 3.11Å; L420-M423 HydrophobicContact CD2-CE 4.49Å; L420-M423 HydrophobicContact CD2-SD 3.56Å; L420-M423 VanDerWaalsContact CD2-SD 3.56Å; L420-M423 VanDerWaalsContact O-CG 3.28Å; L420-M423 WeakPolarHBondContact O-CG 2.84Å; M423-Y427 VanDerWaalsContact CE-C 3.47Å; M423-L428 HydrophobicContact CE-CB 4.13Å; M423-L428 HydrophobicContact CE-CD1 4.21Å; M423-L431 HydrophobicContact CE-CD2 4.08Å; M423-L431 HydrophobicContact SD-CD2 3.82Å
424P88.2Confident87.5Confident0 Ų047.9 Ų47.90%024%0.243CC..  trans-61.6139.5174.9-20.830.8000111.5W294 Y388 Y426 Y427W294-P424 HydrophobicContact CE3-CG 4.36Å; W294-P424 HydrophobicContact CH2-CB 4.4Å; W294-P424 HydrophobicContact CH2-CG 4.4Å; W294-P424 HydrophobicContact CZ3-CB 4.26Å; W294-P424 HydrophobicContact CZ3-CG 3.9Å; Y388-P424 VanDerWaalsContact CD1-CD 3.46Å; Y388-P424 HydrophobicContact CD1-CG 4.47Å; Y388-P424 HydrophobicContact CE1-CG 4.38Å; P424-Y426 HydrophobicContact CB-CD1 3.84Å; P424-Y426 HydrophobicContact CB-CE1 3.28Å; P424-Y426 HydrophobicContact CB-CE2 4.16Å; P424-Y426 HydrophobicContact CB-CG 4.46Å; P424-Y426 VanDerWaalsContact CB-CZ 3.46Å; P424-Y426 HydrophobicContact CG-CE1 4.25Å; P424-Y426 PolarHBondContact O-N 3.03Å; P424-Y427 HydrophobicContact CB-CD2 4.11Å; P424-Y427 HydrophobicContact CG-CD2 4.04Å; P424-Y427 HydrophobicContact CG-CE2 4.29Å; P424-Y427 PolarHBondContact O-N 3.28Å
425P86.6Confident87.3Confident49 Ų4943.6 Ų43.632%0.31822%0.223SC..G310 helixtrans-56.1-32.5-172.5-28.835.4000114.8Y427 L428P425-Y427 VanDerWaalsContact C-N 3.27Å; P425-Y427 PolarHBondContact O-N 2.98Å; P425-L428 VanDerWaalsContact O-CB 3.26Å; P425-L428 WeakPolarHBondContact O-CB 3.35Å; P425-L428 PolarHBondContact O-N 3.14Å; P425-L428 VanDerWaalsContact O-N 3.17Å
426Y88.1Confident87.2Confident12 Ų1249.1 Ų49.15%0.04724%0.236CC..G310 helixtrans-68.1-19.7-179.756.4-96000114.2G112 Q113 E291 P295 P424 L428 P430G112-Y426 WeakPolarHBondContact O-CD1 3.26Å; Q113-Y426 VanDerWaalsContact C-CD2 3.46Å; E291-Y426 HydrophobicContact CG-CE1 4.45Å; E291-Y426 PolarHBondContact N-OH 2.99Å; P295-Y426 HydrophobicContact CG-CD1 3.74Å; P295-Y426 HydrophobicContact CG-CE1 3.64Å; P424-Y426 HydrophobicContact CB-CD1 3.84Å; P424-Y426 HydrophobicContact CB-CE1 3.28Å; P424-Y426 HydrophobicContact CB-CE2 4.16Å; P424-Y426 HydrophobicContact CB-CG 4.46Å; P424-Y426 VanDerWaalsContact CB-CZ 3.46Å; P424-Y426 HydrophobicContact CG-CE1 4.25Å; P424-Y426 PolarHBondContact O-N 3.03Å; Y426-L428 PolarHBondContact O-N 3.44Å; Y426-P430 VanDerWaalsContact O-CD 3.3Å; Y426-P430 WeakPolarHBondContact O-CD 3.35Å
427Y89.3Confident87Confident3 Ų353.8 Ų53.81%0.01226%0.259CS..G310 helixtrans-72.7-12.8173.3-87.2-87.4000113.5W287 P288 P290 Y388 M423 P424 P425 L429 P430 L431W287-Y427 HydrophobicContact CE3-CD1 4.17Å; W287-Y427 HydrophobicContact CE3-CE1 4.45Å; P288-Y427 HydrophobicContact CG-CD1 4.14Å; P288-Y427 HydrophobicContact CG-CE1 3.74Å; P288-Y427 HydrophobicContact CG-CE2 4.4Å; P288-Y427 PolarHBondContact O-OH 3.06Å; P290-Y427 WeakPolarHBondContact CA-OH 3.36Å; P290-Y427 HydrophobicContact CB-CE2 4.01Å; P290-Y427 WeakPolarHBondContact CD-OH 3.22Å; P290-Y427 VanDerWaalsContact N-OH 3.11Å; Y388-Y427 HydrophobicContact CD2-CE2 4.34Å; Y388-Y427 HydrophobicContact CG-CE2 4.42Å; M423-Y427 VanDerWaalsContact CE-C 3.47Å; P424-Y427 HydrophobicContact CB-CD2 4.11Å; P424-Y427 HydrophobicContact CG-CD2 4.04Å; P424-Y427 HydrophobicContact CG-CE2 4.29Å; P424-Y427 PolarHBondContact O-N 3.28Å; P425-Y427 VanDerWaalsContact C-N 3.27Å; P425-Y427 PolarHBondContact O-N 2.98Å; Y427-L429 VanDerWaalsContact C-N 3.34Å; Y427-L429 PolarHBondContact O-N 3.24Å; Y427-P430 WeakPolarHBondContact O-CD 3.28Å; Y427-L431 VanDerWaalsContact O-CB 3.31Å; Y427-L431 WeakPolarHBondContact O-CB 3.3Å; Y427-L431 PolarHBondContact O-N 3.06Å
428L87.7Confident86.6Confident23 Ų2349.6 Ų49.612%0.1224%0.24CC..Hα-helixtrans-63.7-38.5-175.6-168.268.3000112.5L420 M423 P425 Y426 L431 K432 I444 M448L420-L428 HydrophobicContact CD2-CD1 3.92Å; M423-L428 HydrophobicContact CE-CB 4.13Å; M423-L428 HydrophobicContact CE-CD1 4.21Å; P425-L428 VanDerWaalsContact O-CB 3.26Å; P425-L428 WeakPolarHBondContact O-CB 3.35Å; P425-L428 PolarHBondContact O-N 3.14Å; P425-L428 VanDerWaalsContact O-N 3.17Å; Y426-L428 PolarHBondContact O-N 3.44Å; L428-L431 PolarHBondContact O-N 2.89Å; L428-K432 VanDerWaalsContact O-CB 3.29Å; L428-K432 WeakPolarHBondContact O-CB 3.45Å; L428-K432 PolarHBondContact O-N 2.78Å; L428-I444 HydrophobicContact CD1-CD1 4.09Å; L428-I444 HydrophobicContact CD1-CG2 3.78Å; L428-I444 HydrophobicContact CD2-CG2 4.16Å; L428-I444 HydrophobicContact CG-CG2 4Å; L428-M448 HydrophobicContact CD2-CB 3.46Å; L428-M448 VanDerWaalsContact CD2-CB 3.46Å; L428-M448 HydrophobicContact CD2-CG 4.43Å; L428-M448 HydrophobicContact CD2-SD 4.26Å
429L87.4Confident86.1Confident116 Ų11646.1 Ų46.161%0.60724%0.236SC*.Hα-helixtrans-69.9-48.8179.5177.665.2000112.6Y427 L431 K432 K433Y427-L429 VanDerWaalsContact C-N 3.34Å; Y427-L429 PolarHBondContact O-N 3.24Å; L429-L431 VanDerWaalsContact C-N 3.34Å; L429-L431 PolarHBondContact O-N 2.94Å; L429-K432 PolarHBondContact O-N 3Å; L429-K433 PolarHBondContact O-N 3.49Å
430P88.6Confident85.5Confident25 Ų2546.3 Ų46.316%0.16224%0.239CC..Hα-helixtrans-49.5-49.4165.1-32.437.2000113.7H286 W287 P288 Y426 Y427 K432 K433 A434H286-P430 WeakPolarHBondContact O-CB 3.24Å; W287-P430 HydrophobicContact CE3-CB 3.87Å; W287-P430 HydrophobicContact CZ3-CB 3.87Å; P288-P430 HydrophobicContact CG-CG 4.49Å; Y426-P430 VanDerWaalsContact O-CD 3.3Å; Y426-P430 WeakPolarHBondContact O-CD 3.35Å; Y427-P430 WeakPolarHBondContact O-CD 3.28Å; P430-K432 PolarHBondContact O-N 3.24Å; P430-K433 WeakPolarHBondContact O-CB 3.48Å; P430-K433 PolarHBondContact O-N 2.85Å; P430-A434 PolarHBondContact O-N 3.45Å
431L88.3Confident84.7Confident2 Ų247.2 Ų47.21%0.0125%0.247CC..Hα-helixtrans-61.6-44.1-179.3-177.761.5000111.8W287 L393 F416 Y419 L420 M423 Y427 L428 L429 K433 A434 M435 I444W287-L431 HydrophobicContact CH2-CB 4.38Å; W287-L431 HydrophobicContact CH2-CD1 4.02Å; W287-L431 HydrophobicContact CZ3-CB 4.24Å; W287-L431 HydrophobicContact CZ3-CD1 4.49Å; L393-L431 HydrophobicContact CD2-CD1 3.96Å; F416-L431 HydrophobicContact CZ-CD2 4.48Å; Y419-L431 HydrophobicContact CE1-CD2 4.09Å; L420-L431 HydrophobicContact CD2-CD2 3.98Å; M423-L431 HydrophobicContact CE-CD2 4.08Å; M423-L431 HydrophobicContact SD-CD2 3.82Å; Y427-L431 VanDerWaalsContact O-CB 3.31Å; Y427-L431 WeakPolarHBondContact O-CB 3.3Å; Y427-L431 PolarHBondContact O-N 3.06Å; L428-L431 PolarHBondContact O-N 2.89Å; L429-L431 VanDerWaalsContact C-N 3.34Å; L429-L431 PolarHBondContact O-N 2.94Å; L431-K433 VanDerWaalsContact C-N 3.33Å; L431-K433 PolarHBondContact O-N 3.26Å; L431-A434 PolarHBondContact O-N 3.36Å; L431-M435 HydrophobicContact CD1-CE 4.1Å; L431-M435 HydrophobicContact CD1-CG 4.35Å; L431-M435 HydrophobicContact CG-CG 4.43Å; L431-M435 WeakPolarHBondContact O-CG 3.22Å; L431-M435 PolarHBondContact O-N 3.46Å; L431-I444 HydrophobicContact CD2-CD1 4.27Å; L431-I444 HydrophobicContact CG-CD1 4.2Å
432K87.1Confident84Confident28 Ų2847.2 Ų47.212%0.12226%0.255CS..Hα-helixtrans-62.9-37.1176.2-172.8169.1-175.9165.60112.6L428 L429 P430 R436 I444 A445 D446L428-K432 VanDerWaalsContact O-CB 3.29Å; L428-K432 WeakPolarHBondContact O-CB 3.45Å; L428-K432 PolarHBondContact O-N 2.78Å; L429-K432 PolarHBondContact O-N 3Å; P430-K432 PolarHBondContact O-N 3.24Å; K432-R436 WeakPolarHBondContact O-CB 2.9Å; K432-R436 PolarHBondContact O-N 3.35Å; K432-I444 HydrophobicContact CB-CD1 4.2Å; K432-I444 HydrophobicContact CD-CB 4.4Å; K432-I444 HydrophobicContact CD-CG2 4.24Å; K432-I444 PolarHBondContact NZ-O 3.1Å; K432-A445 PolarHBondContact NZ-O 3.14Å; K432-D446 IonicContact NZ-OD1 3.13Å; K432-D446 PolarHBondContact NZ-OD1 2.81Å
433K87.1Confident83.3Confident100 Ų10046.1 Ų46.144%0.43525%0.246SC..Hα-helixtrans-64.2-45.5173-174.8-173.4174.8-1680111.1L429 P430 L431 R436 M437L429-K433 PolarHBondContact O-N 3.49Å; P430-K433 WeakPolarHBondContact O-CB 3.48Å; P430-K433 PolarHBondContact O-N 2.85Å; L431-K433 VanDerWaalsContact C-N 3.33Å; L431-K433 PolarHBondContact O-N 3.26Å; K433-R436 PolarHBondContact O-N 3.31Å; K433-M437 PolarHBondContact O-N 3.09Å
434A87.4Confident82.6Confident3 Ų346.5 Ų46.53%0.02525%0.248CC..Hα-helixtrans-61.6-49.9175.300000111.6W287 P327 P430 L431 R436 M437 M438W287-A434 HydrophobicContact CH2-CB 3.73Å; W287-A434 HydrophobicContact CZ2-CB 3.64Å; P327-A434 HydrophobicContact CG-CB 3.68Å; P430-A434 PolarHBondContact O-N 3.45Å; L431-A434 PolarHBondContact O-N 3.36Å; A434-R436 VanDerWaalsContact C-N 3.27Å; A434-R436 PolarHBondContact O-N 3.31Å; A434-M437 WeakPolarHBondContact O-CA 3.26Å; A434-M437 WeakPolarHBondContact O-CB 3.46Å; A434-M437 PolarHBondContact O-N 2.85Å; A434-M438 WeakPolarHBondContact O-CG 3.16Å; A434-M438 PolarHBondContact O-N 2.92Å
435M84.3Confident81.6Confident3 Ų349.5 Ų49.52%0.01527%0.273CS..Hα-helixtrans-59-35.2178.1-68.8-58.7103.300113L397 L431 M438 G439 A440 L443L397-M435 HydrophobicContact CD1-CE 3.79Å; L397-M435 HydrophobicContact CD2-CE 3.69Å; L397-M435 HydrophobicContact CD2-SD 3.66Å; L397-M435 HydrophobicContact CG-CE 4.42Å; L431-M435 HydrophobicContact CD1-CE 4.1Å; L431-M435 HydrophobicContact CD1-CG 4.35Å; L431-M435 HydrophobicContact CG-CG 4.43Å; L431-M435 WeakPolarHBondContact O-CG 3.22Å; L431-M435 PolarHBondContact O-N 3.46Å; M435-M438 HydrophobicContact CE-CG 4.19Å; M435-M438 PolarHBondContact O-N 3.46Å; M435-G439 PolarHBondContact O-N 2.97Å; M435-A440 CarbonylContact O-C 3.58Å; M435-A440 PolarHBondContact O-N 2.88Å; M435-L443 HydrophobicContact SD-CD1 4.46Å
436R85.3Confident80.3Confident152 Ų15253.9 Ų53.957%0.57429%0.294SS*.Hα-helixtrans-63.5-41.2172.1-173.3-176-64.3142.1-1.9112.2K432 K433 A434 M438 G439 P441K432-R436 WeakPolarHBondContact O-CB 2.9Å; K432-R436 PolarHBondContact O-N 3.35Å; K433-R436 PolarHBondContact O-N 3.31Å; A434-R436 VanDerWaalsContact C-N 3.27Å; A434-R436 PolarHBondContact O-N 3.31Å; R436-M438 VanDerWaalsContact C-N 3.32Å; R436-G439 PolarHBondContact O-N 3.37Å; R436-P441 HydrophobicContact CG-CB 4.47Å
437M82.9Confident78.9Confident105 Ų10559.3 Ų59.352%0.51733%0.328SS..Hα-helixtrans-67-32.6174.9-67.5172.560.700112.4P327 K433 A434 G439P327-M437 HydrophobicContact CB-CE 4.39Å; P327-M437 HydrophobicContact CG-SD 4.47Å; K433-M437 PolarHBondContact O-N 3.09Å; A434-M437 WeakPolarHBondContact O-CA 3.26Å; A434-M437 WeakPolarHBondContact O-CB 3.46Å; A434-M437 PolarHBondContact O-N 2.85Å; M437-G439 PolarHBondContact O-N 2.82Å
438M80.1Confident77.5Confident16 Ų1665.5 Ų65.58%0.07936%0.359CS..THydrogen-bonded Turntrans-72.1-8.2173-58.6-64.1-82.800113.7I323 D324 K325 L326 F401 F406 A434 M435 R436I323-M438 HydrophobicContact CG2-CE 4.04Å; D324-M438 WeakPolarHBondContact O-CE 3.16Å; K325-M438 HydrophobicContact CB-CE 4.5Å; K325-M438 HydrophobicContact CB-SD 3.78Å; L326-M438 VanDerWaalsContact CA-SD 3.55Å; L326-M438 HydrophobicContact CB-CE 4.23Å; L326-M438 HydrophobicContact CB-SD 4.25Å; L326-M438 PolarHBondContact N-SD 3.16Å; L326-M438 VanDerWaalsContact N-SD 3.37Å; F401-M438 HydrophobicContact CD2-CE 4.31Å; F401-M438 HydrophobicContact CE1-CB 4.42Å; F401-M438 HydrophobicContact CE1-CE 4.47Å; F401-M438 HydrophobicContact CE2-CE 3.27Å; F401-M438 HydrophobicContact CZ-CB 4.04Å; F401-M438 HydrophobicContact CZ-CE 3.39Å; F401-M438 HydrophobicContact CZ-CG 4.35Å; F406-M438 WeakPolarHBondContact CE1-O 3.3Å; A434-M438 WeakPolarHBondContact O-CG 3.16Å; A434-M438 PolarHBondContact O-N 2.92Å; M435-M438 HydrophobicContact CE-CG 4.19Å; M435-M438 PolarHBondContact O-N 3.46Å; R436-M438 VanDerWaalsContact C-N 3.32Å
439G77.4Confident76.1Confident52 Ų5271.4 Ų71.454%0.53639%0.39SS..THydrogen-bonded Turntrans89.812.2-178.100000115.5M435 R436 M437 P441M435-G439 PolarHBondContact O-N 2.97Å; R436-G439 PolarHBondContact O-N 3.37Å; M437-G439 PolarHBondContact O-N 2.82Å; G439-P441 VanDerWaalsContact O-CD 3.27Å; G439-P441 WeakPolarHBondContact O-CD 3.48Å
440A75.9Confident74.8Confident11 Ų1168 Ų689%0.09138%0.376CS..  trans-119.661.1-175.800000113.5F406 M435 N442 L443F406-A440 HydrophobicContact CD1-CB 4.04Å; F406-A440 HydrophobicContact CE1-CB 4.38Å; M435-A440 CarbonylContact O-C 3.58Å; M435-A440 PolarHBondContact O-N 2.88Å; A440-N442 VanDerWaalsContact C-N 3.34Å; A440-N442 PolarHBondContact O-N 3.06Å; A440-L443 HydrophobicContact CB-CD1 3.61Å; A440-L443 HydrophobicContact CB-CG 4.38Å
441P69.9Low73.8Confident60 Ų6067.3 Ų67.339%0.3937%0.373SS..G310 helixtrans-68.2-25.7-171.727.3-35.4000115R436 G439 L443R436-P441 HydrophobicContact CG-CB 4.47Å; G439-P441 VanDerWaalsContact O-CD 3.27Å; G439-P441 WeakPolarHBondContact O-CD 3.48Å; P441-L443 PolarHBondContact O-N 3.44Å
442N69.3Low73.5Confident159 Ų15967.9 Ų67.985%0.8538%0.376SS*.G310 helixtrans-92.39.9-166.5-60.7-9.3000114.4A440A440-N442 VanDerWaalsContact C-N 3.34Å; A440-N442 PolarHBondContact O-N 3.06Å
443L70.7Confident73.3Confident44 Ų4467 Ų6723%0.2337%0.374CS..G310 helixtrans-79.4-19.4-177.7-75.2166.8000114.3L400 P408 W412 M435 A440 P441L400-L443 HydrophobicContact CD2-CD1 3.84Å; P408-L443 HydrophobicContact CG-CD2 3.86Å; W412-L443 HydrophobicContact CH2-CD1 4.5Å; W412-L443 HydrophobicContact CH2-CD2 4.22Å; W412-L443 HydrophobicContact CZ3-CD2 4.01Å; M435-L443 HydrophobicContact SD-CD1 4.46Å; A440-L443 HydrophobicContact CB-CD1 3.61Å; A440-L443 HydrophobicContact CB-CG 4.38Å; P441-L443 PolarHBondContact O-N 3.44Å
444I74.1Confident73.3Confident13 Ų1371.3 Ų71.37%0.06739%0.388CS..SBendtrans-130.4120.7-173.4-60.4169.8000108.6F416 L428 L431 K432F416-I444 HydrophobicContact CE1-CG1 4.35Å; L428-I444 HydrophobicContact CD1-CD1 4.09Å; L428-I444 HydrophobicContact CD1-CG2 3.78Å; L428-I444 HydrophobicContact CD2-CG2 4.16Å; L428-I444 HydrophobicContact CG-CG2 4Å; L431-I444 HydrophobicContact CD2-CD1 4.27Å; L431-I444 HydrophobicContact CG-CD1 4.2Å; K432-I444 HydrophobicContact CB-CD1 4.2Å; K432-I444 HydrophobicContact CD-CB 4.4Å; K432-I444 HydrophobicContact CD-CG2 4.24Å; K432-I444 PolarHBondContact NZ-O 3.1Å
445A66.9Low73.3Confident63 Ų6374 Ų7452%0.52141%0.407SS..  trans-56.9156.6179.800000113K432K432-A445 PolarHBondContact NZ-O 3.14Å
446D59.7Low73.5Confident141 Ų14174.1 Ų74.175%0.75441%0.408SS*.THydrogen-bonded Turntrans-79.8-18.5179.7-69.8-48.7000114.1K432 M448K432-D446 IonicContact NZ-OD1 3.13Å; K432-D446 PolarHBondContact NZ-OD1 2.81Å; D446-M448 PolarHBondContact O-N 2.99Å
447T57Low73.6Confident127 Ų12769.6 Ų69.678%0.77940%0.395SS*.THydrogen-bonded Turntrans-85.81.1-172.524.90000116.2D449T447-D449 PolarHBondContact O-N 3.45Å
448M60.7Low73.9Confident133 Ų13367.4 Ų67.466%0.65539%0.39SS*.  trans-92.387.8178.1-74.2-165.9159.700111.2L428 D446L428-M448 HydrophobicContact CD2-CB 3.46Å; L428-M448 VanDerWaalsContact CD2-CB 3.46Å; L428-M448 HydrophobicContact CD2-CG 4.43Å; L428-M448 HydrophobicContact CD2-SD 4.26Å; D446-M448 PolarHBondContact O-N 2.99Å
449D57.8Low74.4Confident146 Ų14671.4 Ų71.478%0.78141%0.405SS*.  trans-70.2162.6175.7-80.6-44.6000113.3T447 G451T447-D449 PolarHBondContact O-N 3.45Å; D449-G451 PolarHBondContact O-N 2.91Å
450C60.5Low74.9Confident46 Ų4670.8 Ų70.831%0.31139%0.389SS..  trans-53.6122.6177.5-730000111L452C450-L452 PolarHBondContact O-N 3.26Å
451G68.1Low75.5Confident9 Ų977.3 Ų77.39%0.09342%0.415CS..SBendtrans-70.949.3-176.100000115.9D449D449-G451 PolarHBondContact O-N 2.91Å
452L80.8Confident76.5Confident14 Ų1481.7 Ų81.77%0.07343%0.428CS..  trans-105.2150.4167.8-66.4178.7000109.9Q113 P295 L302 C450 I457Q113-L452 HydrophobicContact CG-CD1 3.77Å; P295-L452 HydrophobicContact CB-CD2 4.07Å; L302-L452 HydrophobicContact CD2-CD2 4.28Å; C450-L452 PolarHBondContact O-N 3.26Å; L452-I457 HydrophobicContact CB-CD1 4.16Å; L452-I457 HydrophobicContact CB-CG1 4.06Å
453S84Confident77.5Confident10 Ų1074.7 Ų74.77%0.0739%0.39CS..  trans-70.4148.7175.362.20000111.6Q297 S299 S455 V456 I457Q297-S453 VanDerWaalsContact O-CB 3.25Å; Q297-S453 WeakPolarHBondContact O-CB 3.41Å; S299-S453 VanDerWaalsContact O-CB 3.3Å; S299-S453 WeakPolarHBondContact O-CB 3.32Å; S299-S453 PolarHBondContact O-OG 3.29Å; S453-S455 PolarHBondContact O-N 3.25Å; S453-S455 PolarHBondContact OG-OG 2.84Å; S453-V456 PolarHBondContact O-N 3.38Å; S453-V456 WeakPolarHBondContact OG-CB 3.46Å; S453-V456 WeakPolarHBondContact OG-CG2 3.27Å; S453-V456 PolarHBondContact OG-N 3.32Å; S453-I457 WeakPolarHBondContact O-CG1 3.28Å; S453-I457 PolarHBondContact O-N 2.74Å
454Y86.4Confident78.4Confident190 Ų19074.4 Ų74.475%0.74539%0.392SS*.Hα-helixtrans-61.2-34.5178.3178.8-96.6000112.3I457 S458Y454-I457 PolarHBondContact O-N 3.37Å; Y454-S458 WeakPolarHBondContact O-CB 3.17Å; Y454-S458 PolarHBondContact O-N 3.1Å
455S87.9Confident79.2Confident60 Ų6080.1 Ų80.142%0.4242%0.419SS..Hα-helixtrans-59.8-47.9174.448.10000111.8S453 S458 Y459S453-S455 PolarHBondContact O-N 3.25Å; S453-S455 PolarHBondContact OG-OG 2.84Å; S455-S458 PolarHBondContact O-N 3.3Å; S455-Y459 WeakPolarHBondContact O-CB 3.24Å; S455-Y459 PolarHBondContact O-N 3.05Å
456V87.5Confident80.4Confident5 Ų581.6 Ų81.63%0.0342%0.415CS..Hα-helixtrans-62.5-45176.6166.90000111.1P300 L302 S453 S458 Y459 L460P300-V456 WeakPolarHBondContact O-CG2 3.37Å; L302-V456 HydrophobicContact CD1-CG1 3.61Å; L302-V456 HydrophobicContact CD2-CG1 4.23Å; L302-V456 HydrophobicContact CD2-CG2 4.47Å; L302-V456 HydrophobicContact CG-CG1 3.73Å; L302-V456 HydrophobicContact CG-CG2 4.11Å; S453-V456 PolarHBondContact O-N 3.38Å; S453-V456 WeakPolarHBondContact OG-CB 3.46Å; S453-V456 WeakPolarHBondContact OG-CG2 3.27Å; S453-V456 PolarHBondContact OG-N 3.32Å; V456-S458 VanDerWaalsContact C-N 3.32Å; V456-S458 PolarHBondContact O-N 2.92Å; V456-Y459 PolarHBondContact O-N 3.39Å; V456-L460 HydrophobicContact CG1-CD1 3.94Å; V456-L460 HydrophobicContact CG1-CG 4.36Å; V456-L460 WeakPolarHBondContact O-CG 3.23Å; V456-L460 PolarHBondContact O-N 2.84Å
457I87.6Confident81.8Confident58 Ų5874.9 Ų74.930%0.29738%0.379SS..Hα-helixtrans-61.9-40.9178.3-64.9166.1000111.3L452 S453 Y454 K461L452-I457 HydrophobicContact CB-CD1 4.16Å; L452-I457 HydrophobicContact CB-CG1 4.06Å; S453-I457 WeakPolarHBondContact O-CG1 3.28Å; S453-I457 PolarHBondContact O-N 2.74Å; Y454-I457 PolarHBondContact O-N 3.37Å; I457-K461 HydrophobicContact CG2-CD 4.36Å; I457-K461 WeakPolarHBondContact O-CG 3.48Å; I457-K461 PolarHBondContact O-N 2.99Å
458S89.7Confident83.4Confident59 Ų5974.6 Ų74.641%0.41337%0.367SS..Hα-helixtrans-66.1-42.2175.8-170.20000111.7Y454 S455 V456 K461 K462Y454-S458 WeakPolarHBondContact O-CB 3.17Å; Y454-S458 PolarHBondContact O-N 3.1Å; S455-S458 PolarHBondContact O-N 3.3Å; V456-S458 VanDerWaalsContact C-N 3.32Å; V456-S458 PolarHBondContact O-N 2.92Å; S458-K461 PolarHBondContact O-N 3.25Å; S458-K462 PolarHBondContact O-N 3.18Å
459Y89.7Confident84.8Confident100 Ų10072.9 Ų72.939%0.39236%0.36SS..Hα-helixtrans-61.5-49.8177.6-175.6-115.5000112.3E156 S455 V456 K461 K462 L463E156-Y459 PolarHBondContact OE1-OH 2.98Å; S455-Y459 WeakPolarHBondContact O-CB 3.24Å; S455-Y459 PolarHBondContact O-N 3.05Å; V456-Y459 PolarHBondContact O-N 3.39Å; Y459-K461 VanDerWaalsContact C-N 3.3Å; Y459-K461 PolarHBondContact O-N 2.92Å; Y459-K462 WeakPolarHBondContact O-CB 3.25Å; Y459-K462 PolarHBondContact O-N 3.4Å; Y459-K462 VanDerWaalsContact O-N 3.1Å; Y459-L463 HydrophobicContact CD1-CD1 3.91Å; Y459-L463 HydrophobicContact CD1-CG 4.35Å; Y459-L463 HydrophobicContact CE1-CD1 3.43Å; Y459-L463 VanDerWaalsContact CE1-CD1 3.43Å; Y459-L463 HydrophobicContact CE1-CD2 4.47Å; Y459-L463 HydrophobicContact CE1-CG 3.99Å; Y459-L463 HydrophobicContact CE2-CD2 4.34Å; Y459-L463 HydrophobicContact CE2-CG 4.27Å; Y459-L463 PolarHBondContact O-N 3.17Å
460L88.8Confident86.3Confident39 Ų3968.5 Ų68.520%0.20434%0.335CS..Hα-helixtrans-60.3-38177.9-67.2173.7000112.3Y111 L157 V456 L463 S464Y111-L460 HydrophobicContact CD2-CD2 3.97Å; Y111-L460 HydrophobicContact CG-CD2 4.34Å; L157-L460 HydrophobicContact CD1-CD2 3.68Å; V456-L460 HydrophobicContact CG1-CD1 3.94Å; V456-L460 HydrophobicContact CG1-CG 4.36Å; V456-L460 WeakPolarHBondContact O-CG 3.23Å; V456-L460 PolarHBondContact O-N 2.84Å; L460-L463 HydrophobicContact CD2-CD1 4.49Å; L460-L463 PolarHBondContact O-N 3.29Å; L460-S464 PolarHBondContact O-N 2.97Å
461K89.2Confident87.6Confident147 Ų14766.8 Ų66.864%0.63932%0.323SS*.Hα-helixtrans-64.2-43.5173.3-74.5172.5-179.9176.80112.1I457 S458 Y459 S464 Q465I457-K461 HydrophobicContact CG2-CD 4.36Å; I457-K461 WeakPolarHBondContact O-CG 3.48Å; I457-K461 PolarHBondContact O-N 2.99Å; S458-K461 PolarHBondContact O-N 3.25Å; Y459-K461 VanDerWaalsContact C-N 3.3Å; Y459-K461 PolarHBondContact O-N 2.92Å; K461-S464 PolarHBondContact O-N 3.23Å; K461-Q465 PolarHBondContact O-N 3.06Å
462K91.1Very high88.6Confident152 Ų15270 Ų7066%0.66134%0.338SS*.Hα-helixtrans-63.3-42.4176.3-173.2-177.7177.7-174.70111.6S458 Y459 Q465 Q466S458-K462 PolarHBondContact O-N 3.18Å; Y459-K462 WeakPolarHBondContact O-CB 3.25Å; Y459-K462 PolarHBondContact O-N 3.4Å; Y459-K462 VanDerWaalsContact O-N 3.1Å; K462-Q465 PolarHBondContact O-N 2.97Å; K462-Q466 WeakPolarHBondContact O-CB 3.33Å; K462-Q466 PolarHBondContact O-N 3.37Å
463L89.3Confident89Confident12 Ų1278.6 Ų78.66%0.06337%0.369CS..Hα-helixtrans-59.6-49.5175.1-75.6-178.1000111.8A153 L157 Y459 L460 Q465 Q466 A467A153-L463 HydrophobicContact CB-CD2 3.74Å; L157-L463 HydrophobicContact CD1-CD1 3.78Å; Y459-L463 HydrophobicContact CD1-CD1 3.91Å; Y459-L463 HydrophobicContact CD1-CG 4.35Å; Y459-L463 HydrophobicContact CE1-CD1 3.43Å; Y459-L463 VanDerWaalsContact CE1-CD1 3.43Å; Y459-L463 HydrophobicContact CE1-CD2 4.47Å; Y459-L463 HydrophobicContact CE1-CG 3.99Å; Y459-L463 HydrophobicContact CE2-CD2 4.34Å; Y459-L463 HydrophobicContact CE2-CG 4.27Å; Y459-L463 PolarHBondContact O-N 3.17Å; L460-L463 HydrophobicContact CD2-CD1 4.49Å; L460-L463 PolarHBondContact O-N 3.29Å; L463-Q465 VanDerWaalsContact C-N 3.31Å; L463-Q465 PolarHBondContact O-N 3.14Å; L463-Q466 PolarHBondContact O-N 2.98Å; L463-Q466 VanDerWaalsContact O-N 3.14Å; L463-A467 WeakPolarHBondContact O-CB 3.34Å; L463-A467 PolarHBondContact O-N 3.41Å
464S89.9Confident89Confident39 Ų3980 Ų8027%0.27338%0.376SS..Hα-helixtrans-60.9-39178.5-173.50000112.3L104 L460 K461 K468L104-S464 WeakPolarHBondContact O-CB 3.45Å; L104-S464 PolarHBondContact O-OG 2.89Å; L460-S464 PolarHBondContact O-N 2.97Å; K461-S464 PolarHBondContact O-N 3.23Å; S464-K468 PolarHBondContact O-N 2.89Å; S464-K468 VanDerWaalsContact O-N 3.09Å
465Q91.1Very high89Confident133 Ų13372.5 Ų72.562%0.62135%0.348SS*.Hα-helixtrans-65.2-41.7173.8-175.3177.73.400112.5K461 K462 L463 K468 I469K461-Q465 PolarHBondContact O-N 3.06Å; K462-Q465 PolarHBondContact O-N 2.97Å; L463-Q465 VanDerWaalsContact C-N 3.31Å; L463-Q465 PolarHBondContact O-N 3.14Å; Q465-K468 WeakPolarHBondContact O-CB 3.18Å; Q465-K468 PolarHBondContact O-N 3.09Å; Q465-I469 WeakPolarHBondContact O-CG1 3.47Å; Q465-I469 PolarHBondContact O-N 2.82Å
466Q91Very high88.8Confident93 Ų9374.3 Ų74.344%0.43536%0.356SS..Hα-helixtrans-64.9-47.3177.8-176.561.327.300111.4A153 K462 L463 K468 I469 E470A153-Q466 HydrophobicContact CB-CG 4.2Å; K462-Q466 WeakPolarHBondContact O-CB 3.33Å; K462-Q466 PolarHBondContact O-N 3.37Å; L463-Q466 PolarHBondContact O-N 2.98Å; L463-Q466 VanDerWaalsContact O-N 3.14Å; Q466-K468 PolarHBondContact O-N 2.88Å; Q466-I469 PolarHBondContact O-N 2.77Å; Q466-I469 VanDerWaalsContact O-N 3.09Å; Q466-E470 PolarHBondContact O-N 3.46Å
467A89.6Confident88.5Confident1 Ų175 Ų751%0.00836%0.362CS..Hα-helixtrans-56.8-34.6175.200000112L101 L104 V105 L463 S471L101-A467 HydrophobicContact CD1-CB 3.99Å; L101-A467 WeakPolarHBondContact CD1-O 3.33Å; L104-A467 HydrophobicContact CB-CB 3.66Å; L104-A467 HydrophobicContact CD1-CB 4.25Å; V105-A467 HydrophobicContact CG2-CB 4.04Å; L463-A467 WeakPolarHBondContact O-CB 3.34Å; L463-A467 PolarHBondContact O-N 3.41Å; A467-S471 WeakPolarHBondContact O-CB 3.48Å; A467-S471 PolarHBondContact O-N 3.11Å
468K90.9Very high88.2Confident120 Ų12073.3 Ų73.352%0.52235%0.354SS..Hα-helixtrans-65.5-44.7175.3-172.1176.6179.5177.20112.7V105 S464 Q465 Q466 E470 S471 D472V105-K468 HydrophobicContact CG1-CG 4.43Å; V105-K468 HydrophobicContact CG2-CB 4.04Å; S464-K468 PolarHBondContact O-N 2.89Å; S464-K468 VanDerWaalsContact O-N 3.09Å; Q465-K468 WeakPolarHBondContact O-CB 3.18Å; Q465-K468 PolarHBondContact O-N 3.09Å; Q466-K468 PolarHBondContact O-N 2.88Å; K468-E470 VanDerWaalsContact C-N 3.33Å; K468-S471 PolarHBondContact O-N 3.5Å; K468-D472 PolarHBondContact O-N 2.93Å
469I91Very high87.2Confident98 Ų9872.4 Ų72.450%0.50335%0.354SS..Hα-helixtrans-64.1-41.9178.1-63.7165.3000110.4Q465 Q466 R473Q465-I469 WeakPolarHBondContact O-CG1 3.47Å; Q465-I469 PolarHBondContact O-N 2.82Å; Q466-I469 PolarHBondContact O-N 2.77Å; Q466-I469 VanDerWaalsContact O-N 3.09Å; I469-R473 WeakPolarHBondContact O-CB 3.28Å; I469-R473 PolarHBondContact O-N 3.38Å
470E88Confident86.6Confident54 Ų5473.1 Ų73.125%0.25236%0.359SS..Hα-helixtrans-68.7-38.3177.7-176.9166.8-162.200112.5L101 Q466 K468 R473 L474L101-E470 HydrophobicContact CD1-CB 4.03Å; L101-E470 HydrophobicContact CD1-CG 4.02Å; L101-E470 HydrophobicContact CD2-CG 4.37Å; Q466-E470 PolarHBondContact O-N 3.46Å; K468-E470 VanDerWaalsContact C-N 3.33Å; E470-R473 WeakPolarHBondContact O-CB 3.45Å; E470-R473 PolarHBondContact O-N 3.19Å; E470-L474 WeakPolarHBondContact O-CB 3.3Å; E470-L474 PolarHBondContact O-N 3.25Å
471S87.4Confident85.6Confident9 Ų978 Ų786%0.06338%0.379CS..Hα-helixtrans-60.7-49172.4-1740000112.1A467 K468 R473 L474 I475A467-S471 WeakPolarHBondContact O-CB 3.48Å; A467-S471 PolarHBondContact O-N 3.11Å; K468-S471 PolarHBondContact O-N 3.5Å; S471-R473 VanDerWaalsContact C-N 3.3Å; S471-R473 PolarHBondContact O-N 2.95Å; S471-L474 PolarHBondContact O-N 3.1Å; S471-I475 WeakPolarHBondContact O-CB 3.5Å; S471-I475 WeakPolarHBondContact O-CD1 3.43Å; S471-I475 WeakPolarHBondContact O-CG1 3.36Å; S471-I475 PolarHBondContact O-N 2.65Å
472D89.8Confident84.5Confident76 Ų7673.3 Ų73.341%0.40637%0.368SS..Hα-helixtrans-64.1-34.2176.7-80.3-40.1000111.9K67 K468 V476K67-D472 IonicContact NZ-OD1 3.57Å; K67-D472 PolarHBondContact NZ-OD1 3.38Å; K468-D472 PolarHBondContact O-N 2.93Å; D472-V476 WeakPolarHBondContact O-CG2 3.35Å; D472-V476 PolarHBondContact O-N 2.7Å
473R88.6Confident83.3Confident195 Ų19570.9 Ų70.974%0.73637%0.368SS*.Hα-helixtrans-64.1-49.2171.8-178.1-173.3179.3-164.70.3111.8I469 E470 S471 I475 V476 S477I469-R473 WeakPolarHBondContact O-CB 3.28Å; I469-R473 PolarHBondContact O-N 3.38Å; E470-R473 WeakPolarHBondContact O-CB 3.45Å; E470-R473 PolarHBondContact O-N 3.19Å; S471-R473 VanDerWaalsContact C-N 3.3Å; S471-R473 PolarHBondContact O-N 2.95Å; R473-I475 VanDerWaalsContact C-N 3.33Å; R473-I475 PolarHBondContact O-N 2.86Å; R473-V476 PolarHBondContact O-N 2.74Å; R473-V476 VanDerWaalsContact O-N 3.1Å; R473-S477 PolarHBondContact O-N 3.42Å; R473-S477 PolarHBondContact O-OG 3.19Å
474L84.6Confident82.1Confident40 Ų4075.8 Ų75.821%0.20939%0.39CS..Hα-helixtrans-61.4-43.4-177.4-17761.8000111L98 L101 E470 S471 V476 S477 V478L98-L474 HydrophobicContact CD1-CD2 3.65Å; L101-L474 HydrophobicContact CD2-CB 4.49Å; L101-L474 HydrophobicContact CD2-CD2 3.86Å; E470-L474 WeakPolarHBondContact O-CB 3.3Å; E470-L474 PolarHBondContact O-N 3.25Å; S471-L474 PolarHBondContact O-N 3.1Å; L474-V476 PolarHBondContact O-N 2.83Å; L474-S477 WeakPolarHBondContact CA-OG 3.46Å; L474-S477 WeakPolarHBondContact O-CA 3.41Å; L474-S477 PolarHBondContact O-N 3.2Å; L474-S477 PolarHBondContact O-OG 2.97Å; L474-V478 WeakPolarHBondContact O-CG2 3.49Å; L474-V478 PolarHBondContact O-N 3.46Å; L474-V478 VanDerWaalsContact O-N 3.1Å
475I85.9Confident80.8Confident32 Ų3281 Ų8116%0.16441%0.41CS..Hα-helixtrans-57-34.9175.2-72.1165.1000112.1K67 S471 R473 S477K67-I475 HydrophobicContact CD-CD1 4.36Å; K67-I475 HydrophobicContact CD-CG2 3.75Å; K67-I475 HydrophobicContact CG-CD1 4.41Å; K67-I475 HydrophobicContact CG-CG2 4.25Å; S471-I475 WeakPolarHBondContact O-CB 3.5Å; S471-I475 WeakPolarHBondContact O-CD1 3.43Å; S471-I475 WeakPolarHBondContact O-CG1 3.36Å; S471-I475 PolarHBondContact O-N 2.65Å; R473-I475 VanDerWaalsContact C-N 3.33Å; R473-I475 PolarHBondContact O-N 2.86Å; I475-S477 VanDerWaalsContact C-N 3.3Å
476V85.1Confident79.4Confident98 Ų9880.1 Ų80.159%0.59441%0.414SS*.Hα-helixtrans-77.7-12.7176.4172.80000112.7D472 R473 L474 K480D472-V476 WeakPolarHBondContact O-CG2 3.35Å; D472-V476 PolarHBondContact O-N 2.7Å; R473-V476 PolarHBondContact O-N 2.74Å; R473-V476 VanDerWaalsContact O-N 3.1Å; L474-V476 PolarHBondContact O-N 2.83Å; V476-K480 WeakPolarHBondContact O-CE 3.28Å; V476-K480 PolarHBondContact O-NZ 3.1Å
477S81.3Confident78.3Confident21 Ų2176 Ų7615%0.14740%0.397CS..Hα-helixtrans-97-20.1173.342.20000115.5R473 L474 I475 K480R473-S477 PolarHBondContact O-N 3.42Å; R473-S477 PolarHBondContact O-OG 3.19Å; L474-S477 WeakPolarHBondContact CA-OG 3.46Å; L474-S477 WeakPolarHBondContact O-CA 3.41Å; L474-S477 PolarHBondContact O-N 3.2Å; L474-S477 PolarHBondContact O-OG 2.97Å; I475-S477 VanDerWaalsContact C-N 3.3Å; S477-K480 WeakPolarHBondContact O-CB 3.47Å; S477-K480 PolarHBondContact O-N 3.45Å
478V81.1Confident77.6Confident21 Ų2180.5 Ų80.513%0.12742%0.419CS..THydrogen-bonded Turntrans-54.3139.6176.31770000110.7V62 K63 E68 L474 K480V62-V478 HydrophobicContact CB-CG2 4.43Å; V62-V478 HydrophobicContact CG1-CG1 4.48Å; V62-V478 HydrophobicContact CG1-CG2 3.86Å; K63-V478 VanDerWaalsContact O-CG1 3.27Å; K63-V478 WeakPolarHBondContact O-CG1 3.08Å; E68-V478 HydrophobicContact CG-CG1 4.22Å; L474-V478 WeakPolarHBondContact O-CG2 3.49Å; L474-V478 PolarHBondContact O-N 3.46Å; L474-V478 VanDerWaalsContact O-N 3.1Å; V478-K480 PolarHBondContact O-N 3.35Å
479G68.9Low76.8Confident41 Ų4181.9 Ų81.942%0.42343%0.425SS..THydrogen-bonded Turntrans72.50.4177.300000115.6K481G479-K481 PolarHBondContact O-N 2.9Å
480K75.5Confident75.8Confident114 Ų11480.4 Ų80.450%0.49642%0.421SS..PPolyproline II helixtrans-74.4125.9168.6-69.8-179.9177.3156.30109.1Y60 V476 S477 V478Y60-K480 WeakPolarHBondContact CD1-O 3.43Å; V476-K480 WeakPolarHBondContact O-CE 3.28Å; V476-K480 PolarHBondContact O-NZ 3.1Å; S477-K480 WeakPolarHBondContact O-CB 3.47Å; S477-K480 PolarHBondContact O-N 3.45Å; V478-K480 PolarHBondContact O-N 3.35Å
481K67.8Low74.6Confident141 Ų14185.6 Ų85.661%0.61344%0.443SS*.PPolyproline II helixtrans-62.8146166.4-62.4-173.7-175.4-177.60109G479 D539G479-K481 PolarHBondContact O-N 2.9Å; K481-D539 IonicContact NZ-OD1 3.14Å; K481-D539 IonicContact NZ-OD2 2.69Å; K481-D539 PolarHBondContact NZ-OD2 3.44Å
482A67.3Low73.4Confident50 Ų5089.7 Ų89.741%0.41346%0.464SS..PPolyproline II helixtrans-56.2144.116500000109.2Y60 Q484Y60-A482 HydrophobicContact CD1-CB 4.29Å; Y60-A482 HydrophobicContact CD2-CB 3.71Å; Y60-A482 HydrophobicContact CE1-CB 4.49Å; Y60-A482 HydrophobicContact CE2-CB 3.95Å; Y60-A482 HydrophobicContact CG-CB 3.89Å; A482-Q484 PolarHBondContact O-N 3.13Å
483P65.5Low71.7Confident101 Ų10193.7 Ų93.766%0.65648%0.48SS*.  trans-59.7112.3173.125.5-32.9000108.1Y60 E485Y60-P483 VanDerWaalsContact OH-CD 3.25Å; Y60-P483 WeakPolarHBondContact OH-CD 3.39Å; P483-E485 PolarHBondContact O-N 3.39Å
484Q63.5Low70Confident114 Ų11487.7 Ų87.753%0.53347%0.468SS..  trans-59.3130.9171.7-72.9-179.2-16.700108A482 T486A482-Q484 PolarHBondContact O-N 3.13Å; Q484-T486 PolarHBondContact O-N 2.98Å
485E62.7Low68.5Low148 Ų14891.9 Ų91.969%0.69250%0.501SS*.  trans-57.4118.1173.9-65.9-161.8138.400108.5P483 G487 L535P483-E485 PolarHBondContact O-N 3.39Å; E485-G487 PolarHBondContact O-N 3.28Å; E485-G487 VanDerWaalsContact O-N 3.15Å; E485-L535 WeakPolarHBondContact O-CD1 3.16Å
486T61.5Low66.9Low116 Ų11693.9 Ų93.971%0.71252%0.522SS*.SBendtrans-67.5-17.5-172.745.30000112.8Q484 A534 L535Q484-T486 PolarHBondContact O-N 2.98Å; T486-A534 WeakPolarHBondContact O-CA 3.46Å; T486-L535 PolarHBondContact O-N 2.99Å
487G68.1Low65.3Low6 Ų695.9 Ų95.96%0.06253%0.528CS..EExtended strand (participates in β ladder)trans-174.5156.9168.100000113.4E485 K489 I533E485-G487 PolarHBondContact O-N 3.28Å; E485-G487 VanDerWaalsContact O-N 3.15Å; G487-K489 PolarHBondContact O-N 3.01Å; G487-I533 CarbonylContact C-O 3.54Å; G487-I533 WeakPolarHBondContact CA-O 3.47Å
488I75.3Confident64.1Low95 Ų9598.8 Ų98.849%0.48755%0.549SS..EExtended strand (participates in β ladder)trans-73.1117.4174.8-60172.2000108.1V490 Q532 I533 L535I488-V490 PolarHBondContact O-N 2.95Å; I488-Q532 WeakPolarHBondContact O-CA 3.41Å; I488-I533 PolarHBondContact N-O 2.82Å; I488-I533 PolarHBondContact O-N 3.17Å; I488-L535 HydrophobicContact CD1-CD2 3.87Å; I488-L535 HydrophobicContact CG1-CD2 3.87Å; I488-L535 HydrophobicContact CG1-CG 4.39Å
489K74.1Confident62.8Low149 Ų149104 Ų10465%0.64858%0.575SS**EExtended strand (participates in β ladder)trans-65.5115.4172.1-72.6177.1-178.7175.20109.5G487 K491 Q532G487-K489 PolarHBondContact O-N 3.01Å; K489-K491 PolarHBondContact O-N 2.88Å; K489-Q532 HydrophobicContact CB-CG 4.28Å; K489-Q532 HydrophobicContact CG-CG 3.5Å; K489-Q532 VanDerWaalsContact CG-CG 3.5Å
490V70.3Confident62.1Low67 Ų67104.5 Ų104.541%0.40658%0.575SS.*  trans-75.199.7175.8-178.20000108.2I488 N492 F531 I533I488-V490 PolarHBondContact O-N 2.95Å; V490-N492 PolarHBondContact O-N 3.39Å; V490-F531 HydrophobicContact CB-CD1 4.17Å; V490-F531 HydrophobicContact CG2-CD1 3.76Å; V490-F531 HydrophobicContact CG2-CE1 4.2Å; V490-F531 PolarHBondContact N-O 2.87Å; V490-I533 HydrophobicContact CG2-CD1 3.64Å; V490-I533 HydrophobicContact CG2-CG1 3.74Å
491K63.3Low61.1Low163 Ų163103.2 Ų103.271%0.70957%0.571SS**  trans-71.5109170.2-71.6-172.7179178.70108.8K489 H493K489-K491 PolarHBondContact O-N 2.88Å; K491-H493 VanDerWaalsContact C-N 3.35Å; K491-H493 WeakPolarHBondContact CB-NE2 3.41Å; K491-H493 PolarHBondContact O-CD2 2.65Å; K491-H493 PolarHBondContact O-N 3.09Å
492N62.2Low60.6Low95 Ų95104 Ų10451%0.50857%0.57SS.*  trans-76.785.4179.8-157.58.2000109.9V490 S494V490-N492 PolarHBondContact O-N 3.39Å; N492-S494 VanDerWaalsContact C-N 3.25Å; N492-S494 PolarHBondContact O-N 3.33Å; N492-S494 PolarHBondContact OD1-OG 3.03Å
493H54.6Low60.3Low160 Ų160111.5 Ų111.574%0.74159%0.587SS**  trans-82.33.8-179.3-77.6-71000113.9K491K491-H493 VanDerWaalsContact C-N 3.35Å; K491-H493 WeakPolarHBondContact CB-NE2 3.41Å; K491-H493 PolarHBondContact O-CD2 2.65Å; K491-H493 PolarHBondContact O-N 3.09Å
494S51.7Low60.2Low70 Ų70111.5 Ų111.549%0.4958%0.582SS.*  trans-104.298.9179.154.20000112.5N492N492-S494 VanDerWaalsContact C-N 3.25Å; N492-S494 PolarHBondContact O-N 3.33Å; N492-S494 PolarHBondContact OD1-OG 3.03Å
495S52.8Low60.2Low128 Ų128111 Ų11190%0.89558%0.578SS**  trans-73.2-12.2149.151.60000112L497S495-L497 PolarHBondContact O-N 3.11Å
496A51.8Low60.2Low74 Ų74108.4 Ų108.461%0.61257%0.565SS**SBendtrans-71120.7171.200000111S498A496-S498 PolarHBondContact O-N 3.34Å
497L51.8Low60.3Low139 Ų139109.4 Ų109.473%0.72856%0.561SS**PPolyproline II helixtrans-54.6124175.2-66.7166.1000110.8S495 H501S495-L497 PolarHBondContact O-N 3.11Å; L497-H501 HydrophobicContact CB-CB 4.21Å
498S55.9Low60.3Low82 Ų82114.2 Ų114.257%0.57359%0.585SS**PPolyproline II helixtrans-49.9145.3172.41710000111.4A496 A500 H501A496-S498 PolarHBondContact O-N 3.34Å; S498-A500 PolarHBondContact O-N 3.4Å; S498-H501 WeakPolarHBondContact O-CB 3.15Å; S498-H501 PolarHBondContact O-N 3.01Å
499L55.3Low59.8Low132 Ų132113.5 Ų113.569%0.69158%0.582SS**G310 helixtrans-52.3-28.9-177.5-70171.2000113.4H501 R502L499-H501 PolarHBondContact O-N 2.83Å; L499-H501 VanDerWaalsContact O-N 3.08Å; L499-R502 PolarHBondContact O-N 2.91Å
500A54.1Low59.4Low50 Ų50111 Ų11141%0.41357%0.572SS.*G310 helixtrans-60.9-13173.300000115S498 K506S498-A500 PolarHBondContact O-N 3.4Å; A500-K506 VanDerWaalsContact O-CE 3.27Å; A500-K506 WeakPolarHBondContact O-CE 3.37Å
501H52.8Low59.2Low87 Ų87111.1 Ų111.140%0.40359%0.588SS.*G310 helixtrans-97.7-5.2175.1-81.279.1000114.2L497 S498 L499 R503L497-H501 HydrophobicContact CB-CB 4.21Å; S498-H501 WeakPolarHBondContact O-CB 3.15Å; S498-H501 PolarHBondContact O-N 3.01Å; L499-H501 PolarHBondContact O-N 2.83Å; L499-H501 VanDerWaalsContact O-N 3.08Å; H501-R503 PolarHBondContact O-N 2.99Å
502R59.3Low59.4Low157 Ų157109.6 Ų109.659%0.59259%0.586SS**  trans-66.6134.1171.4-74.8-163165.5-146.8-0.7110.3L499 D504 F505 K506L499-R502 PolarHBondContact O-N 2.91Å; R502-D504 PolarHBondContact O-N 2.96Å; R502-F505 PolarHBondContact O-N 3.03Å; R502-K506 PolarHBondContact O-N 3.12Å
503R59.5Low59.6Low208 Ų208109.1 Ų109.179%0.78559%0.586SS**Hα-helixtrans-59.5-40.3-179.3-67.3-176.7-178.9176.41111H501 F505 K506 Q507H501-R503 PolarHBondContact O-N 2.99Å; R503-F505 VanDerWaalsContact C-N 3.34Å; R503-F505 PolarHBondContact O-N 3.02Å; R503-K506 PolarHBondContact O-N 2.94Å; R503-K506 VanDerWaalsContact O-N 3.14Å; R503-Q507 PolarHBondContact O-N 3.42Å
504D63.6Low59.8Low101 Ų101104.7 Ų104.754%0.5458%0.584SS.*Hα-helixtrans-56.1-44.4179.3-28.5-33.8000111.8R502 Q507 L508R502-D504 PolarHBondContact O-N 2.96Å; D504-Q507 PolarHBondContact O-N 2.83Å; D504-L508 WeakPolarHBondContact O-CB 3.42Å; D504-L508 PolarHBondContact O-N 2.81Å
505F63.5Low60.1Low104 Ų104108.7 Ų108.746%0.45660%0.595SS.*Hα-helixtrans-70.5-35.9178.7-174.2-109.2000112.5R502 R503 L508 L509R502-F505 PolarHBondContact O-N 3.03Å; R503-F505 VanDerWaalsContact C-N 3.34Å; R503-F505 PolarHBondContact O-N 3.02Å; F505-L508 PolarHBondContact O-N 3.47Å; F505-L509 HydrophobicContact CD1-CD1 3.95Å; F505-L509 HydrophobicContact CE1-CD1 3.41Å; F505-L509 VanDerWaalsContact CE1-CD1 3.41Å; F505-L509 HydrophobicContact CZ-CD1 3.75Å; F505-L509 WeakPolarHBondContact O-CB 3.43Å; F505-L509 PolarHBondContact O-N 2.84Å
506K62.7Low60.2Low94 Ų94104.3 Ų104.341%0.40957%0.57SS.*Hα-helixtrans-68.3-38.6174.2-71.9-173.2175.8-177.90112.2A500 R502 R503 Q510A500-K506 VanDerWaalsContact O-CE 3.27Å; A500-K506 WeakPolarHBondContact O-CE 3.37Å; R502-K506 PolarHBondContact O-N 3.12Å; R503-K506 PolarHBondContact O-N 2.94Å; R503-K506 VanDerWaalsContact O-N 3.14Å; K506-Q510 WeakPolarHBondContact O-CB 3.22Å; K506-Q510 PolarHBondContact O-N 3.04Å
507Q64.7Low60.1Low137 Ų137105 Ų10564%0.6457%0.568SS**Hα-helixtrans-66.5-41173.3-76.2-179.9-37.200111.8R503 D504 Q510 G511R503-Q507 PolarHBondContact O-N 3.42Å; D504-Q507 PolarHBondContact O-N 2.83Å; Q507-Q510 PolarHBondContact O-N 2.86Å; Q507-G511 PolarHBondContact O-N 2.77Å
508L68.1Low60Low107 Ų107106.2 Ų106.256%0.5657%0.574SS**Hα-helixtrans-61.7-48.1175.8-168.775.1000111.7D504 F505 Q510 G511 I512D504-L508 WeakPolarHBondContact O-CB 3.42Å; D504-L508 PolarHBondContact O-N 2.81Å; F505-L508 PolarHBondContact O-N 3.47Å; L508-Q510 PolarHBondContact O-N 2.75Å; L508-G511 PolarHBondContact O-N 3.41Å; L508-I512 HydrophobicContact CG-CD1 4.01Å; L508-I512 VanDerWaalsContact O-CG1 3.32Å; L508-I512 WeakPolarHBondContact O-CG1 3.47Å; L508-I512 PolarHBondContact O-N 3.49Å; L508-I512 VanDerWaalsContact O-N 3.09Å
509L64.6Low59.6Low79 Ų79113.2 Ų113.241%0.41459%0.588SS.*Hα-helixtrans-57.4-48.4174.6-104.6156.1000111.7F505 G511 I512 T513F505-L509 HydrophobicContact CD1-CD1 3.95Å; F505-L509 HydrophobicContact CE1-CD1 3.41Å; F505-L509 VanDerWaalsContact CE1-CD1 3.41Å; F505-L509 HydrophobicContact CZ-CD1 3.75Å; F505-L509 WeakPolarHBondContact O-CB 3.43Å; F505-L509 PolarHBondContact O-N 2.84Å; L509-G511 VanDerWaalsContact C-N 3.28Å; L509-G511 PolarHBondContact O-N 3.13Å; L509-I512 PolarHBondContact O-N 3.16Å; L509-T513 HydrophobicContact CD2-CG2 4.3Å; L509-T513 PolarHBondContact O-N 2.99Å; L509-T513 PolarHBondContact O-OG1 2.98Å
510Q66.1Low59.3Low96 Ų96113.5 Ų113.545%0.44959%0.59SS.*Hα-helixtrans-63.4-33.3180-167.7168.49.100112.6K506 Q507 L508 I512 G514K506-Q510 WeakPolarHBondContact O-CB 3.22Å; K506-Q510 PolarHBondContact O-N 3.04Å; Q507-Q510 PolarHBondContact O-N 2.86Å; L508-Q510 PolarHBondContact O-N 2.75Å; Q510-I512 VanDerWaalsContact C-N 3.35Å; Q510-G514 PolarHBondContact O-N 2.81Å
511G65.7Low59Low71 Ų71115.4 Ų115.473%0.73260%0.596SS**Hα-helixtrans-71.6-23.2172.500000114.7Q507 L508 L509Q507-G511 PolarHBondContact O-N 2.77Å; L508-G511 PolarHBondContact O-N 3.41Å; L509-G511 VanDerWaalsContact C-N 3.28Å; L509-G511 PolarHBondContact O-N 3.13Å
512I66.3Low58.7Low130 Ų130118.1 Ų118.167%0.66761%0.613SS**Hα-helixtrans-91.9-39.2179.1-66.8166.3000111.8L508 L509 Q510L508-I512 HydrophobicContact CG-CD1 4.01Å; L508-I512 VanDerWaalsContact O-CG1 3.32Å; L508-I512 WeakPolarHBondContact O-CG1 3.47Å; L508-I512 PolarHBondContact O-N 3.49Å; L508-I512 VanDerWaalsContact O-N 3.09Å; L509-I512 PolarHBondContact O-N 3.16Å; Q510-I512 VanDerWaalsContact C-N 3.35Å
513T66.6Low58.5Low86 Ų86114.5 Ų114.553%0.52861%0.605SS.*Hα-helixtrans-103.5-8.8-171.7600000115.3L509 E515L509-T513 HydrophobicContact CD2-CG2 4.3Å; L509-T513 PolarHBondContact O-N 2.99Å; L509-T513 PolarHBondContact O-OG1 2.98Å; T513-E515 PolarHBondContact O-N 2.88Å
514G59.2Low58Low67 Ų67108 Ų10869%0.69159%0.586SS**  trans71.5-35.2175.700000116Q510Q510-G514 PolarHBondContact O-N 2.81Å
515E58.6Low57.5Low154 Ų154109.5 Ų109.572%0.7259%0.588SS**SBendtrans-75.8137.6173-75.8-67.615600111.7T513T513-E515 PolarHBondContact O-N 2.88Å
516G54Low57.2Low35 Ų35113.2 Ų113.236%0.36160%0.604SS.*  trans-67.6150.7174.200000111.5L518G516-L518 PolarHBondContact O-N 3.45Å
517P50.1Low56.8Low88 Ų88115.5 Ų115.557%0.57162%0.616SS**  trans-62.1110.6-17724.9-33.7000110.7R519P517-R519 PolarHBondContact O-N 2.66Å
518L49.3Very low56.4Low165 Ų165113.1 Ų113.186%0.86460%0.604SS**  trans-48.2130171.1-74.2173000109G516 L520G516-L518 PolarHBondContact O-N 3.45Å; L518-L520 VanDerWaalsContact C-N 3.34Å; L518-L520 PolarHBondContact O-N 3.39Å
519R47.5Very low55.8Low229 Ų229112.5 Ų112.586%0.86461%0.614SS**  trans-62.292.2-173.5-107-174.1169-179.4-2.3110.7P517 V521P517-R519 PolarHBondContact O-N 2.66Å; R519-V521 HydrophobicContact CB-CG2 3.94Å; R519-V521 HydrophobicContact CG-CG2 3.86Å; R519-V521 PolarHBondContact O-N 3.35Å
520L49.4Very low56Low138 Ų138111.2 Ų111.272%0.72362%0.62SS**  trans-79.461.2167.6-144.3162.1000108.4L518 I523L518-L520 VanDerWaalsContact C-N 3.34Å; L518-L520 PolarHBondContact O-N 3.39Å; L520-I523 HydrophobicContact CD2-CD1 3.63Å; L520-I523 HydrophobicContact CD2-CG1 3.47Å; L520-I523 VanDerWaalsContact CD2-CG1 3.47Å
521V46.8Very low56.4Low90 Ų90111.5 Ų111.555%0.54562%0.62SS.*  trans-76.8143.8170.6176.70000107R519R519-V521 HydrophobicContact CB-CG2 3.94Å; R519-V521 HydrophobicContact CG-CG2 3.86Å; R519-V521 PolarHBondContact O-N 3.35Å
522D47.8Very low57Low144 Ų144112.2 Ų112.277%0.7760%0.604SS**  trans73.247-177.9-50.9-30000117N524D522-N524 VanDerWaalsContact C-N 3.31Å; D522-N524 PolarHBondContact O-N 2.78Å
523I54.8Low57.7Low81 Ų81110.4 Ų110.442%0.41560%0.595SS.*  trans-79.990.8139.5-59.1-177.2000107.1L520 F525 F528L520-I523 HydrophobicContact CD2-CD1 3.63Å; L520-I523 HydrophobicContact CD2-CG1 3.47Å; L520-I523 VanDerWaalsContact CD2-CG1 3.47Å; I523-F525 HydrophobicContact CG2-CE1 4.38Å; I523-F525 HydrophobicContact CG2-CE2 4.4Å; I523-F525 HydrophobicContact CG2-CZ 4.27Å; I523-F525 WeakPolarHBondContact O-CD2 3.46Å; I523-F525 PolarHBondContact O-N 3.38Å; I523-F525 VanDerWaalsContact O-N 3.08Å; I523-F528 HydrophobicContact CG2-CE2 3.93Å
524N49.7Very low58.2Low73 Ų73110.1 Ų110.139%0.3960%0.601SS.*  trans-73.199.4175.7-177.42.8000109.7D522 K526 E527D522-N524 VanDerWaalsContact C-N 3.31Å; D522-N524 PolarHBondContact O-N 2.78Å; N524-K526 PolarHBondContact O-N 3.18Å; N524-K526 WeakPolarHBondContact OD1-CB 3.49Å; N524-K526 PolarHBondContact OD1-N 3.13Å; N524-K526 VanDerWaalsContact OD1-N 3.15Å; N524-E527 HydrophobicContact CB-CG 3.97Å; N524-E527 WeakPolarHBondContact O-CB 3.49Å; N524-E527 PolarHBondContact O-N 2.91Å
525F52.9Low59.1Low132 Ų132111.1 Ų111.158%0.57959%0.59SS**THydrogen-bonded Turntrans-59.5-13.5179.9-70.7-83.3000114.2I523I523-F525 HydrophobicContact CG2-CE1 4.38Å; I523-F525 HydrophobicContact CG2-CE2 4.4Å; I523-F525 HydrophobicContact CG2-CZ 4.27Å; I523-F525 WeakPolarHBondContact O-CD2 3.46Å; I523-F525 PolarHBondContact O-N 3.38Å; I523-F525 VanDerWaalsContact O-N 3.08Å
526K56Low60.1Low182 Ų182111 Ų11179%0.79159%0.594SS**THydrogen-bonded Turntrans-76.4-20.4170.7-65.4-176.6173.7-178.30113.8N524 F528 A529N524-K526 PolarHBondContact O-N 3.18Å; N524-K526 WeakPolarHBondContact OD1-CB 3.49Å; N524-K526 PolarHBondContact OD1-N 3.13Å; N524-K526 VanDerWaalsContact OD1-N 3.15Å; K526-F528 VanDerWaalsContact C-N 3.29Å; K526-F528 PolarHBondContact O-N 3.43Å; K526-A529 WeakPolarHBondContact O-CB 3.35Å; K526-A529 PolarHBondContact O-N 3.32Å
527E53.9Low61.1Low141 Ų141112.7 Ų112.766%0.65959%0.594SS**THydrogen-bonded Turntrans-73.1-19.2178.7-72-179.6147.900113.5N524 A529N524-E527 HydrophobicContact CB-CG 3.97Å; N524-E527 WeakPolarHBondContact O-CB 3.49Å; N524-E527 PolarHBondContact O-N 2.91Å; E527-A529 PolarHBondContact O-N 3.25Å
528F56.9Low62Low87 Ų87117.2 Ų117.238%0.38261%0.605SS.*THydrogen-bonded Turntrans-78-6.3177.4-70.7-86.8000113.8I523 K526 G530 F531I523-F528 HydrophobicContact CG2-CE2 3.93Å; K526-F528 VanDerWaalsContact C-N 3.29Å; K526-F528 PolarHBondContact O-N 3.43Å; F528-G530 VanDerWaalsContact C-N 3.31Å; F528-G530 PolarHBondContact O-N 2.85Å; F528-F531 HydrophobicContact CD1-CB 4.18Å; F528-F531 HydrophobicContact CD1-CG 4.22Å; F528-F531 PolarHBondContact O-N 2.83Å; F528-F531 VanDerWaalsContact O-N 3.15Å
529A56.2Low62.9Low95 Ų95114.2 Ų114.279%0.78559%0.59SS**THydrogen-bonded Turntrans-69.583.5176.400000111.3K526 E527K526-A529 WeakPolarHBondContact O-CB 3.35Å; K526-A529 PolarHBondContact O-N 3.32Å; E527-A529 PolarHBondContact O-N 3.25Å
530G67.7Low64.2Low51 Ų51107.7 Ų107.753%0.52658%0.575SS.*THydrogen-bonded Turntrans119.42.7-177.200000114.9F528 Q532F528-G530 VanDerWaalsContact C-N 3.31Å; F528-G530 PolarHBondContact O-N 2.85Å; G530-Q532 PolarHBondContact O-N 3.16Å; G530-Q532 PolarHBondContact O-NE2 3.37Å
531F75.4Confident65.4Low102 Ų102107.2 Ų107.245%0.44757%0.567SS.*  trans-56126.4176.1-175-97.1000111.2V490 F528 I533V490-F531 HydrophobicContact CB-CD1 4.17Å; V490-F531 HydrophobicContact CG2-CD1 3.76Å; V490-F531 HydrophobicContact CG2-CE1 4.2Å; V490-F531 PolarHBondContact N-O 2.87Å; F528-F531 HydrophobicContact CD1-CB 4.18Å; F528-F531 HydrophobicContact CD1-CG 4.22Å; F528-F531 PolarHBondContact O-N 2.83Å; F528-F531 VanDerWaalsContact O-N 3.15Å; F531-I533 HydrophobicContact CD1-CG1 4.49Å; F531-I533 HydrophobicContact CE1-CG1 3.82Å
532Q78.1Confident66.7Low86 Ų86106.8 Ų106.840%0.40257%0.566SS.*EExtended strand (participates in β ladder)trans-124.5122.2-177-82.8164.76500109.7I488 K489 G530 A534I488-Q532 WeakPolarHBondContact O-CA 3.41Å; K489-Q532 HydrophobicContact CB-CG 4.28Å; K489-Q532 HydrophobicContact CG-CG 3.5Å; K489-Q532 VanDerWaalsContact CG-CG 3.5Å; G530-Q532 PolarHBondContact O-N 3.16Å; G530-Q532 PolarHBondContact O-NE2 3.37Å; Q532-A534 PolarHBondContact O-N 3.31Å
533I80.9Confident68.1Low93 Ų93104.2 Ų104.248%0.47755%0.55SS..EExtended strand (participates in β ladder)trans-77.1111.4171.4-62.7171.9000107.3G487 I488 V490 F531 L535G487-I533 CarbonylContact C-O 3.54Å; G487-I533 WeakPolarHBondContact CA-O 3.47Å; I488-I533 PolarHBondContact N-O 2.82Å; I488-I533 PolarHBondContact O-N 3.17Å; V490-I533 HydrophobicContact CG2-CD1 3.64Å; V490-I533 HydrophobicContact CG2-CG1 3.74Å; F531-I533 HydrophobicContact CD1-CG1 4.49Å; F531-I533 HydrophobicContact CE1-CG1 3.82Å; I533-L535 PolarHBondContact O-N 2.84Å
534A77.6Confident69.2Low80 Ų80101.5 Ų101.566%0.66154%0.54SS*.EExtended strand (participates in β ladder)trans-59.4134.3-178.600000111.6T486 Q532T486-A534 WeakPolarHBondContact O-CA 3.46Å; Q532-A534 PolarHBondContact O-N 3.31Å
535L78.4Confident70.6Confident88 Ų88100.2 Ų100.246%0.46153%0.529SS..  trans-79.7148174.9-70.8-176.3000111.1E485 T486 I488 I533 N537E485-L535 WeakPolarHBondContact O-CD1 3.16Å; T486-L535 PolarHBondContact O-N 2.99Å; I488-L535 HydrophobicContact CD1-CD2 3.87Å; I488-L535 HydrophobicContact CG1-CD2 3.87Å; I488-L535 HydrophobicContact CG1-CG 4.39Å; I533-L535 PolarHBondContact O-N 2.84Å; L535-N537 PolarHBondContact O-N 3.24Å
536L78.6Confident71.9Confident151 Ų151103.9 Ų103.979%0.79154%0.539SS*.  trans-65.1102.7177.9178.966.2000110.7K538L536-K538 PolarHBondContact O-N 3.01Å
537N74.8Confident73.2Confident70 Ų7097.9 Ų97.937%0.37452%0.516SS..  trans-80103.3176-169.8-24.3000110.9L535 D539 V540L535-N537 PolarHBondContact O-N 3.24Å; N537-D539 VanDerWaalsContact C-N 3.26Å; N537-D539 PolarHBondContact O-N 2.8Å; N537-D539 WeakPolarHBondContact OD1-CB 3.37Å; N537-D539 PolarHBondContact OD1-N 3.28Å; N537-V540 HydrophobicContact CB-CB 4.48Å; N537-V540 HydrophobicContact CB-CG2 3.99Å; N537-V540 PolarHBondContact O-N 3.49Å
538K69.8Low74.6Confident184 Ų18494.6 Ų94.680%0.851%0.513SS*.THydrogen-bonded Turntrans-68.6-19.2179.2-62.7-177.9-179.91790114.3L536L536-K538 PolarHBondContact O-N 3.01Å
539D68.6Low75.9Confident102 Ų102101 Ų10155%0.54554%0.536SS..THydrogen-bonded Turntrans-83-15179.7-68.7-15.1000111.9K481 N537 K541K481-D539 IonicContact NZ-OD1 3.14Å; K481-D539 IonicContact NZ-OD2 2.69Å; K481-D539 PolarHBondContact NZ-OD2 3.44Å; N537-D539 VanDerWaalsContact C-N 3.26Å; N537-D539 PolarHBondContact O-N 2.8Å; N537-D539 WeakPolarHBondContact OD1-CB 3.37Å; N537-D539 PolarHBondContact OD1-N 3.28Å; D539-K541 PolarHBondContact O-N 3.25Å
540V74.4Confident77.3Confident92 Ų9299 Ų9956%0.55851%0.512SS*.  trans-81.7107.7177.2175.90000110.1N537N537-V540 HydrophobicContact CB-CB 4.48Å; N537-V540 HydrophobicContact CB-CG2 3.99Å; N537-V540 PolarHBondContact O-N 3.49Å
541K73.8Confident78.2Confident127 Ų12797.7 Ų97.755%0.55249%0.493SS*.  trans-79.5122.7172.4-69.9178.6169.2-167.10110.1D539 Q543 F582D539-K541 PolarHBondContact O-N 3.25Å; K541-Q543 PolarHBondContact O-N 3.03Å; K541-F582 HydrophobicContact CB-CZ 4.16Å; K541-F582 HydrophobicContact CD-CE1 4.23Å; K541-F582 HydrophobicContact CD-CZ 3.88Å; K541-F582 HydrophobicContact CG-CZ 4.14Å
542P74.3Confident78.6Confident81 Ų8196.5 Ų96.553%0.52650%0.496SS..  trans-56.5134.2176.8-25.234.5000112D550P542-D550 HydrophobicContact CB-CB 4.03Å
543Q78.2Confident79.1Confident91 Ų91103.5 Ų103.543%0.42552%0.518SS..  trans-110.968.6-179.6-61.6-168.71200111.2K541 Y545 R546 N547 D550K541-Q543 PolarHBondContact O-N 3.03Å; Q543-Y545 PolarHBondContact O-N 2.94Å; Q543-R546 HydrophobicContact CB-CB 4.04Å; Q543-R546 PolarHBondContact O-N 3.14Å; Q543-N547 PolarHBondContact O-N 3.37Å; Q543-D550 PolarHBondContact N-OD2 2.87Å
544A77.8Confident79.4Confident24 Ų24110.6 Ų110.620%0.19854%0.539CS..THydrogen-bonded Turntrans-53.5-28.4-173.100000115.5I551 Q559A544-I551 HydrophobicContact CB-CG1 4.29Å; A544-Q559 HydrophobicContact CB-CG 4.15Å
545Y78.1Confident79.8Confident45 Ų45111 Ų11118%0.17653%0.53CS..THydrogen-bonded Turntrans-88.7-4.9175.7-69-16.8000115Q543 R562 M563 N566 R576 Q578 D579Q543-Y545 PolarHBondContact O-N 2.94Å; Y545-R562 HydrophobicContact CE1-CB 4.19Å; Y545-M563 HydrophobicContact CD1-CG 3.37Å; Y545-M563 HydrophobicContact CD1-SD 4.43Å; Y545-M563 HydrophobicContact CE1-CG 3.73Å; Y545-M563 HydrophobicContact CG-CG 4.43Å; Y545-N566 VanDerWaalsContact CD2-ND2 3.32Å; Y545-N566 WeakPolarHBondContact CD2-ND2 3.27Å; Y545-N566 WeakPolarHBondContact CE2-ND2 3.3Å; Y545-R576 WeakPolarHBondContact CD2-O 3.48Å; Y545-Q578 VanDerWaalsContact CD2-C 3.49Å; Y545-Q578 WeakPolarHBondContact CD2-O 3.34Å; Y545-Q578 WeakPolarHBondContact CE2-O 3.25Å; Y545-D579 HydrophobicContact CD2-CB 4.49Å; Y545-D579 HydrophobicContact CE2-CB 3.95Å; Y545-D579 VanDerWaalsContact CZ-CG 3.47Å; Y545-D579 VanDerWaalsContact CZ-OD1 3.3Å; Y545-D579 PolarHBondContact OH-OD1 2.64Å; Y545-D579 PolarHBondContact OH-OD2 3.26Å
546R80.5Confident80.2Confident209 Ų209110.9 Ų110.979%0.78953%0.529SS*.THydrogen-bonded Turntrans-119.4-37.6-178.9-166.4-172.9-174141.92.8113.2Q543Q543-R546 HydrophobicContact CB-CB 4.04Å; Q543-R546 PolarHBondContact O-N 3.14Å
547N83.3Confident80.7Confident56 Ų56110.7 Ų110.730%0.29953%0.528SS..  trans-118.9115.2-177-177.216000109.8Q543 Y549 D550Q543-N547 PolarHBondContact O-N 3.37Å; N547-Y549 VanDerWaalsContact C-N 3.26Å; N547-Y549 PolarHBondContact O-N 2.99Å; N547-Y549 WeakPolarHBondContact OD1-CD2 3.48Å; N547-Y549 PolarHBondContact OD1-N 3.09Å; N547-D550 HydrophobicContact CB-CB 4.35Å; N547-D550 WeakPolarHBondContact CB-OD2 3.48Å; N547-D550 PolarHBondContact ND2-OD1 3.33Å; N547-D550 PolarHBondContact ND2-OD2 3.09Å; N547-D550 PolarHBondContact O-N 3.27Å
548A84Confident81.2Confident72 Ų72110.9 Ų110.960%0.59553%0.53SS*.G310 helixtrans-67.4-27179.700000112.9D550 I551A548-D550 PolarHBondContact O-N 3.24Å; A548-I551 PolarHBondContact O-N 2.67Å
549Y84.3Confident81.9Confident222 Ų222103 Ų10387%0.87150%0.496SS*.G310 helixtrans-71.8-16.6179.3-63.7-78.7000113.5N547 I551N547-Y549 VanDerWaalsContact C-N 3.26Å; N547-Y549 PolarHBondContact O-N 2.99Å; N547-Y549 WeakPolarHBondContact OD1-CD2 3.48Å; N547-Y549 PolarHBondContact OD1-N 3.09Å; Y549-I551 VanDerWaalsContact C-N 3.28Å
550D84.1Confident82.9Confident53 Ų53103.1 Ų103.128%0.28350%0.496SS..G310 helixtrans-81.9-6.6177.4-69.5-9.8000112.6P542 Q543 N547 A548 P552P542-D550 HydrophobicContact CB-CB 4.03Å; Q543-D550 PolarHBondContact N-OD2 2.87Å; N547-D550 HydrophobicContact CB-CB 4.35Å; N547-D550 WeakPolarHBondContact CB-OD2 3.48Å; N547-D550 PolarHBondContact ND2-OD1 3.33Å; N547-D550 PolarHBondContact ND2-OD2 3.09Å; N547-D550 PolarHBondContact O-N 3.27Å; A548-D550 PolarHBondContact O-N 3.24Å; D550-P552 WeakPolarHBondContact O-CD 3.43Å
551I86.3Confident83.4Confident24 Ų24102.5 Ų102.512%0.12349%0.492CS..SBendtrans-89115.9-175.2-52.8175.6000109.9A544 A548 Y549 L556 Q559 M563A544-I551 HydrophobicContact CB-CG1 4.29Å; A548-I551 PolarHBondContact O-N 2.67Å; Y549-I551 VanDerWaalsContact C-N 3.28Å; I551-L556 HydrophobicContact CB-CD1 4.29Å; I551-L556 HydrophobicContact CG2-CB 4.42Å; I551-L556 HydrophobicContact CG2-CD1 3.74Å; I551-Q559 HydrophobicContact CD1-CG 4.25Å; I551-Q559 HydrophobicContact CG1-CG 4.42Å; I551-Q559 HydrophobicContact CG2-CB 3.91Å; I551-Q559 HydrophobicContact CG2-CG 4.15Å; I551-M563 HydrophobicContact CD1-SD 3.71Å
552P85.6Confident83.9Confident77 Ų77100.2 Ų100.250%0.548%0.48SS..  trans-71.2139.8179.229.6-34.6000111.2D550 R554 N555 L556D550-P552 WeakPolarHBondContact O-CD 3.43Å; P552-R554 PolarHBondContact O-N 3Å; P552-N555 PolarHBondContact O-N 2.87Å; P552-L556 PolarHBondContact O-N 3.1Å
553R86.8Confident84.4Confident233 Ų23398.8 Ų98.888%0.87947%0.467SS*.G310 helixtrans-50.2-34-179-177.4173.9177.4149.4-0.6113.9N555R553-N555 VanDerWaalsContact C-N 3.28Å; R553-N555 PolarHBondContact O-N 3.27Å
554R88.8Confident84.7Confident241 Ų241102.7 Ų102.791%0.90948%0.478SS*.G310 helixtrans-58.9-35.8-180-64.2-176.9-178.8-179-1.6113.2P552P552-R554 PolarHBondContact O-N 3Å
555N85.4Confident84.9Confident90 Ų90105.5 Ų105.548%0.48149%0.492SS..G310 helixtrans-114.910.1-172.1-59.621.4000112.2P552 R553 L557 D558 Q559P552-N555 PolarHBondContact O-N 2.87Å; R553-N555 VanDerWaalsContact C-N 3.28Å; R553-N555 PolarHBondContact O-N 3.27Å; N555-L557 PolarHBondContact O-N 2.85Å; N555-D558 PolarHBondContact O-N 3.49Å; N555-Q559 WeakPolarHBondContact O-CB 3.45Å; N555-Q559 PolarHBondContact O-N 3.5Å
556L87.5Confident85Confident84 Ų84104.8 Ų104.844%0.4449%0.492SS..Hα-helixtrans-59.4-41.4-169.6179.161.7000113.4I551 P552 L560I551-L556 HydrophobicContact CB-CD1 4.29Å; I551-L556 HydrophobicContact CG2-CB 4.42Å; I551-L556 HydrophobicContact CG2-CD1 3.74Å; P552-L556 PolarHBondContact O-N 3.1Å; L556-L560 WeakPolarHBondContact O-CB 3.21Å; L556-L560 PolarHBondContact O-N 3.21Å
557L88.2Confident85.1Confident147 Ų147100.3 Ų100.377%0.7748%0.483SS*.Hα-helixtrans-68.6-46.4-179-77.1150.2000112N555 L560 T561N555-L557 PolarHBondContact O-N 2.85Å; L557-L560 PolarHBondContact O-N 2.83Å; L557-T561 WeakPolarHBondContact O-CG2 3.26Å; L557-T561 PolarHBondContact O-N 3.46Å; L557-T561 VanDerWaalsContact O-N 3.08Å
558D86.1Confident84.8Confident75 Ų75102.9 Ų102.940%0.40150%0.496SS..Hα-helixtrans-63.1-48.8175.2-178.319.6000110.7N555 L560 T561 R562N555-D558 PolarHBondContact O-N 3.49Å; D558-L560 PolarHBondContact O-N 3.21Å; D558-T561 PolarHBondContact O-N 3.22Å; D558-T561 PolarHBondContact O-OG1 3.05Å; D558-R562 VanDerWaalsContact CG-NE 3.27Å; D558-R562 WeakPolarHBondContact O-CG 3.49Å; D558-R562 PolarHBondContact O-N 2.92Å; D558-R562 IonicContact OD1-CZ 3.79Å; D558-R562 IonicContact OD1-NE 2.73Å; D558-R562 PolarHBondContact OD1-NE 3.11Å; D558-R562 IonicContact OD1-NH2 2.65Å; D558-R562 IonicContact OD2-CZ 3.64Å; D558-R562 VanDerWaalsContact OD2-CZ 3.31Å; D558-R562 IonicContact OD2-NE 2.96Å; D558-R562 PolarHBondContact OD2-NE 3.32Å; D558-R562 VanDerWaalsContact OD2-NE 3.12Å; D558-R562 IonicContact OD2-NH2 3.24Å; D558-R562 PolarHBondContact OD2-NH2 2.99Å
559Q84.6Confident84.3Confident18 Ų18108 Ų1088%0.08450%0.5CS..Hα-helixtrans-59.5-35.5177.6-1576616.500112.4A544 I551 N555 R562 M563 D579A544-Q559 HydrophobicContact CB-CG 4.15Å; I551-Q559 HydrophobicContact CD1-CG 4.25Å; I551-Q559 HydrophobicContact CG1-CG 4.42Å; I551-Q559 HydrophobicContact CG2-CB 3.91Å; I551-Q559 HydrophobicContact CG2-CG 4.15Å; N555-Q559 WeakPolarHBondContact O-CB 3.45Å; N555-Q559 PolarHBondContact O-N 3.5Å; Q559-R562 PolarHBondContact O-N 3.05Å; Q559-M563 WeakPolarHBondContact O-CB 3.45Å; Q559-M563 WeakPolarHBondContact O-CG 3.28Å; Q559-M563 PolarHBondContact O-N 3.21Å; Q559-D579 PolarHBondContact NE2-OD2 3.36Å
560L88.3Confident83Confident105 Ų105104.1 Ų104.155%0.5550%0.5SS..Hα-helixtrans-67.2-39.2175.4-175.665.7000112.5L556 L557 D558 R564L556-L560 WeakPolarHBondContact O-CB 3.21Å; L556-L560 PolarHBondContact O-N 3.21Å; L557-L560 PolarHBondContact O-N 2.83Å; D558-L560 PolarHBondContact O-N 3.21Å; L560-R564 VanDerWaalsContact O-CB 3.25Å; L560-R564 WeakPolarHBondContact O-CB 3.35Å; L560-R564 PolarHBondContact O-N 3.4Å
561T86.4Confident81.7Confident79 Ų79106.4 Ų106.449%0.48552%0.52SS..Hα-helixtrans-69.2-37.1175.165.50000111.6L557 D558 R564 T565L557-T561 WeakPolarHBondContact O-CG2 3.26Å; L557-T561 PolarHBondContact O-N 3.46Å; L557-T561 VanDerWaalsContact O-N 3.08Å; D558-T561 PolarHBondContact O-N 3.22Å; D558-T561 PolarHBondContact O-OG1 3.05Å; T561-R564 PolarHBondContact O-N 2.87Å; T561-T565 WeakPolarHBondContact O-CB 3.47Å; T561-T565 PolarHBondContact O-N 3.5Å; T561-T565 PolarHBondContact O-OG1 3.24Å
562R83.9Confident80.3Confident78 Ų78111.7 Ų111.729%0.29455%0.548SS..Hα-helixtrans-62.3-49.6172.1-64.5172.8-173-140.25.5111.7Y545 D558 Q559 R564 T565 N566 D581Y545-R562 HydrophobicContact CE1-CB 4.19Å; D558-R562 VanDerWaalsContact CG-NE 3.27Å; D558-R562 WeakPolarHBondContact O-CG 3.49Å; D558-R562 PolarHBondContact O-N 2.92Å; D558-R562 IonicContact OD1-CZ 3.79Å; D558-R562 IonicContact OD1-NE 2.73Å; D558-R562 PolarHBondContact OD1-NE 3.11Å; D558-R562 IonicContact OD1-NH2 2.65Å; D558-R562 IonicContact OD2-CZ 3.64Å; D558-R562 VanDerWaalsContact OD2-CZ 3.31Å; D558-R562 IonicContact OD2-NE 2.96Å; D558-R562 PolarHBondContact OD2-NE 3.32Å; D558-R562 VanDerWaalsContact OD2-NE 3.12Å; D558-R562 IonicContact OD2-NH2 3.24Å; D558-R562 PolarHBondContact OD2-NH2 2.99Å; Q559-R562 PolarHBondContact O-N 3.05Å; R562-R564 PolarHBondContact O-N 3.13Å; R562-T565 PolarHBondContact O-N 3.27Å; R562-N566 WeakPolarHBondContact O-CB 3.3Å; R562-N566 PolarHBondContact O-N 3.26Å; R562-D581 IonicContact CZ-OD2 3.8Å; R562-D581 IonicContact NH1-OD2 3.02Å; R562-D581 PolarHBondContact NH1-OD2 3.35Å; R562-D581 IonicContact NH2-OD2 3.9Å
563M83.5Confident78.8Confident52 Ų52118.8 Ų118.826%0.25657%0.571SS.*Hα-helixtrans-57.5-46174.5-77.5176.579.700112.2Y545 I551 Q559 T565 N566 L567Y545-M563 HydrophobicContact CD1-CG 3.37Å; Y545-M563 HydrophobicContact CD1-SD 4.43Å; Y545-M563 HydrophobicContact CE1-CG 3.73Å; Y545-M563 HydrophobicContact CG-CG 4.43Å; I551-M563 HydrophobicContact CD1-SD 3.71Å; Q559-M563 WeakPolarHBondContact O-CB 3.45Å; Q559-M563 WeakPolarHBondContact O-CG 3.28Å; Q559-M563 PolarHBondContact O-N 3.21Å; M563-T565 PolarHBondContact O-N 3.04Å; M563-N566 PolarHBondContact O-N 2.72Å; M563-L567 WeakPolarHBondContact O-CB 3.32Å; M563-L567 PolarHBondContact O-N 2.9Å
564R85.2Confident77.4Confident173 Ų173114.7 Ų114.765%0.65357%0.566SS**Hα-helixtrans-61.3-43.7176.8-179.3175.4178.1176.8-0.3111.3L560 T561 R562 L567 L568L560-R564 VanDerWaalsContact O-CB 3.25Å; L560-R564 WeakPolarHBondContact O-CB 3.35Å; L560-R564 PolarHBondContact O-N 3.4Å; T561-R564 PolarHBondContact O-N 2.87Å; R562-R564 PolarHBondContact O-N 3.13Å; R564-L567 PolarHBondContact O-N 3.1Å; R564-L568 HydrophobicContact CG-CD1 3.66Å; R564-L568 HydrophobicContact CG-CG 4.39Å; R564-L568 VanDerWaalsContact O-CB 3.31Å; R564-L568 WeakPolarHBondContact O-CB 3.27Å; R564-L568 VanDerWaalsContact O-CG 3.23Å; R564-L568 WeakPolarHBondContact O-CG 3.46Å; R564-L568 PolarHBondContact O-N 3.25Å
565T82.1Confident76.2Confident82 Ų82108.8 Ų108.850%0.50355%0.551SS.*Hα-helixtrans-66-39.4177.9-560000112.2T561 R562 M563 R569T561-T565 WeakPolarHBondContact O-CB 3.47Å; T561-T565 PolarHBondContact O-N 3.5Å; T561-T565 PolarHBondContact O-OG1 3.24Å; R562-T565 PolarHBondContact O-N 3.27Å; M563-T565 PolarHBondContact O-N 3.04Å; T565-R569 WeakPolarHBondContact O-CB 3.04Å; T565-R569 WeakPolarHBondContact O-CG 3.43Å; T565-R569 PolarHBondContact O-N 3.37Å; T565-R569 VanDerWaalsContact O-N 3.17Å
566N81Confident75.2Confident31 Ų31110.4 Ų110.417%0.16655%0.55CS.*Hα-helixtrans-66.2-44175.6-174.914.9000111.5Y545 R562 M563 R576Y545-N566 VanDerWaalsContact CD2-ND2 3.32Å; Y545-N566 WeakPolarHBondContact CD2-ND2 3.27Å; Y545-N566 WeakPolarHBondContact CE2-ND2 3.3Å; R562-N566 WeakPolarHBondContact O-CB 3.3Å; R562-N566 PolarHBondContact O-N 3.26Å; M563-N566 PolarHBondContact O-N 2.72Å; N566-R576 PolarHBondContact ND2-O 3.31Å; N566-R576 PolarHBondContact OD1-N 3.41Å
567L80.8Confident74Confident114 Ų114108.7 Ų108.760%0.59755%0.553SS**Hα-helixtrans-68-37.2178.3-175.963.5000113.2M563 R564 I575M563-L567 WeakPolarHBondContact O-CB 3.32Å; M563-L567 PolarHBondContact O-N 2.9Å; R564-L567 PolarHBondContact O-N 3.1Å; L567-I575 HydrophobicContact CD1-CD1 3.94Å
568L78.9Confident72.8Confident111 Ų111107 Ų10758%0.58154%0.541SS*.Hα-helixtrans-87.5-5.1-177.6-62.8176.4000113.8R564 T570R564-L568 HydrophobicContact CG-CD1 3.66Å; R564-L568 HydrophobicContact CG-CG 4.39Å; R564-L568 VanDerWaalsContact O-CB 3.31Å; R564-L568 WeakPolarHBondContact O-CB 3.27Å; R564-L568 VanDerWaalsContact O-CG 3.23Å; R564-L568 WeakPolarHBondContact O-CG 3.46Å; R564-L568 PolarHBondContact O-N 3.25Å; L568-T570 PolarHBondContact O-N 2.95Å
569R72.6Confident72Confident178 Ų178104.6 Ų104.667%0.67253%0.528SS*.  trans-7681.3173.7-99.8-175.9169.8-178.8-0.6111.5T565 S571T565-R569 WeakPolarHBondContact O-CB 3.04Å; T565-R569 WeakPolarHBondContact O-CG 3.43Å; T565-R569 PolarHBondContact O-N 3.37Å; T565-R569 VanDerWaalsContact O-N 3.17Å; R569-S571 PolarHBondContact O-N 3.36Å; R569-S571 VanDerWaalsContact O-N 3.14Å
570T58Low70.9Confident141 Ų141106.9 Ų106.987%0.86554%0.539SS*.THydrogen-bonded Turntrans-69.6-0.1177.439.10000115.7L568L568-T570 PolarHBondContact O-N 2.95Å
571S55.9Low69.8Low102 Ų102106.5 Ų106.571%0.71354%0.537SS*.THydrogen-bonded Turntrans-80.5-12.6-175.957.80000115.3R569R569-S571 PolarHBondContact O-N 3.36Å; R569-S571 VanDerWaalsContact O-N 3.14Å
572L56.7Low68.8Low135 Ų135106.3 Ų106.371%0.70753%0.53SS*.SBendtrans-126.7130.5175.2-72.3165.8000108.9L574L572-L574 PolarHBondContact O-N 3.19Å
573K54.4Low67.8Low225 Ų225105.5 Ų105.598%0.97853%0.531SS*.SBendtrans-70.520.7-176.6-66.5-175.1176.4-179.40114.5
574L58.1Low66.9Low148 Ų148110 Ų11078%0.77555%0.551SS**SBendtrans-144.8110.3-175.3-166.473.1000110L572 R576L572-L574 PolarHBondContact O-N 3.19Å; L574-R576 PolarHBondContact O-N 3.17Å
575I63.2Low66Low117 Ų117105.4 Ų105.460%0.655%0.546SS*.  trans-62.1126.8169.6-62.1170000107.7L567 G577L567-I575 HydrophobicContact CD1-CD1 3.94Å; I575-G577 PolarHBondContact O-N 3.03Å
576R63.2Low65.1Low123 Ų123104.2 Ų104.246%0.46454%0.536SS..  trans-79.7111.1-174.8-152.1166.8-169.6176.8-15.5109.8Y545 N566 L574 Q578 E580Y545-R576 WeakPolarHBondContact CD2-O 3.48Å; N566-R576 PolarHBondContact ND2-O 3.31Å; N566-R576 PolarHBondContact OD1-N 3.41Å; L574-R576 PolarHBondContact O-N 3.17Å; R576-Q578 VanDerWaalsContact C-N 3.26Å; R576-Q578 PolarHBondContact O-N 3.28Å; R576-E580 WeakPolarHBondContact CD-OE1 3.5Å; R576-E580 IonicContact CZ-OE1 2.66Å; R576-E580 IonicContact CZ-OE2 2.84Å; R576-E580 IonicContact NE-OE1 3.37Å; R576-E580 PolarHBondContact NE-OE1 2.87Å; R576-E580 IonicContact NH1-OE1 2.88Å; R576-E580 PolarHBondContact NH1-OE1 2.88Å; R576-E580 VanDerWaalsContact NH1-OE1 3.13Å; R576-E580 IonicContact NH1-OE2 3Å; R576-E580 PolarHBondContact NH1-OE2 3.08Å; R576-E580 IonicContact NH2-OE1 3.51Å; R576-E580 PolarHBondContact NH2-OE1 3.47Å; R576-E580 IonicContact NH2-OE2 3.21Å; R576-E580 PolarHBondContact NH2-OE2 2.81Å
577G63.3Low64.5Low48 Ų48106.6 Ų106.650%0.49555%0.553SS.*  trans-79.53-173.700000116.1I575I575-G577 PolarHBondContact O-N 3.03Å
578Q63.3Low63.8Low112 Ų112106.9 Ų106.952%0.52356%0.559SS.*SBendtrans-139.7153.8179.9-70.8179.6-10.600109.3Y545 R576Y545-Q578 VanDerWaalsContact CD2-C 3.49Å; Y545-Q578 WeakPolarHBondContact CD2-O 3.34Å; Y545-Q578 WeakPolarHBondContact CE2-O 3.25Å; R576-Q578 VanDerWaalsContact C-N 3.26Å; R576-Q578 PolarHBondContact O-N 3.28Å
579D68.2Low63.1Low25 Ų25106.4 Ų106.413%0.13457%0.571CS.*  trans-81.9148.4-179.3-147.6-15000112.4Y545 Q559 F582 L583Y545-D579 HydrophobicContact CD2-CB 4.49Å; Y545-D579 HydrophobicContact CE2-CB 3.95Å; Y545-D579 VanDerWaalsContact CZ-CG 3.47Å; Y545-D579 VanDerWaalsContact CZ-OD1 3.3Å; Y545-D579 PolarHBondContact OH-OD1 2.64Å; Y545-D579 PolarHBondContact OH-OD2 3.26Å; Q559-D579 PolarHBondContact NE2-OD2 3.36Å; D579-F582 HydrophobicContact CB-CB 4.2Å; D579-F582 WeakPolarHBondContact O-CB 3.33Å; D579-F582 PolarHBondContact O-N 2.65Å; D579-L583 PolarHBondContact O-N 3.07Å
580E61.5Low62.6Low66 Ų66102.6 Ų102.631%0.30856%0.561SS.*Hα-helixtrans-67.2-44.2-179.1-68.7-55.783.300111.2R576 F582 L583 H584R576-E580 WeakPolarHBondContact CD-OE1 3.5Å; R576-E580 IonicContact CZ-OE1 2.66Å; R576-E580 IonicContact CZ-OE2 2.84Å; R576-E580 IonicContact NE-OE1 3.37Å; R576-E580 PolarHBondContact NE-OE1 2.87Å; R576-E580 IonicContact NH1-OE1 2.88Å; R576-E580 PolarHBondContact NH1-OE1 2.88Å; R576-E580 VanDerWaalsContact NH1-OE1 3.13Å; R576-E580 IonicContact NH1-OE2 3Å; R576-E580 PolarHBondContact NH1-OE2 3.08Å; R576-E580 IonicContact NH2-OE1 3.51Å; R576-E580 PolarHBondContact NH2-OE1 3.47Å; R576-E580 IonicContact NH2-OE2 3.21Å; R576-E580 PolarHBondContact NH2-OE2 2.81Å; E580-F582 PolarHBondContact O-N 2.8Å; E580-L583 WeakPolarHBondContact O-CB 3.35Å; E580-L583 PolarHBondContact O-N 3.07Å; E580-L583 WeakPolarHBondContact OE1-CD1 3.43Å; E580-H584 PolarHBondContact O-N 3.05Å; E580-H584 PolarHBondContact O-ND1 3.25Å
581D65.7Low62.5Low96 Ų96101.9 Ų101.951%0.51355%0.549SS..Hα-helixtrans-62.5-28.1-179.8-58.5-9.8000110.9R562 H584 S585R562-D581 IonicContact CZ-OD2 3.8Å; R562-D581 IonicContact NH1-OD2 3.02Å; R562-D581 PolarHBondContact NH1-OD2 3.35Å; R562-D581 IonicContact NH2-OD2 3.9Å; D581-H584 PolarHBondContact O-N 3.33Å; D581-S585 PolarHBondContact O-N 3.03Å
582F65.6Low62.8Low76 Ų76100.3 Ų100.333%0.33355%0.55SS..Hα-helixtrans-73.9-29.4175-166-96.7000113.4K541 D579 E580 H584 S585K541-F582 HydrophobicContact CB-CZ 4.16Å; K541-F582 HydrophobicContact CD-CE1 4.23Å; K541-F582 HydrophobicContact CD-CZ 3.88Å; K541-F582 HydrophobicContact CG-CZ 4.14Å; D579-F582 HydrophobicContact CB-CB 4.2Å; D579-F582 WeakPolarHBondContact O-CB 3.33Å; D579-F582 PolarHBondContact O-N 2.65Å; E580-F582 PolarHBondContact O-N 2.8Å; F582-H584 VanDerWaalsContact C-N 3.28Å; F582-S585 PolarHBondContact O-OG 3.24Å; F582-S585 VanDerWaalsContact O-OG 3.06Å
583L63.6Low63.2Low61 Ų6197 Ų9732%0.31953%0.533SS..Hα-helixtrans-70.3-27.9172.6-68.6169.7000111.8D579 E580 I586D579-L583 PolarHBondContact O-N 3.07Å; E580-L583 WeakPolarHBondContact O-CB 3.35Å; E580-L583 PolarHBondContact O-N 3.07Å; E580-L583 WeakPolarHBondContact OE1-CD1 3.43Å; L583-I586 WeakPolarHBondContact O-CD1 3.43Å; L583-I586 WeakPolarHBondContact O-CG1 3.16Å
584H64Low63.4Low145 Ų14593.7 Ų93.767%0.67152%0.515SS*.Hα-helixtrans-88-10.1178.2-58.999.6000113.7E580 D581 F582 I586E580-H584 PolarHBondContact O-N 3.05Å; E580-H584 PolarHBondContact O-ND1 3.25Å; D581-H584 PolarHBondContact O-N 3.33Å; F582-H584 VanDerWaalsContact C-N 3.28Å; H584-I586 VanDerWaalsContact C-N 3.3Å; H584-I586 PolarHBondContact O-N 2.81Å
585S65.3Low63.4Low77 Ų7793.3 Ų93.354%0.53851%0.509SS..THydrogen-bonded Turntrans-89.814.6176.568.50000114.3D581 F582D581-S585 PolarHBondContact O-N 3.03Å; F582-S585 PolarHBondContact O-OG 3.24Å; F582-S585 VanDerWaalsContact O-OG 3.06Å
586I64.9Low63.3Low57 Ų5792.6 Ų92.629%0.29250%0.503SS..SBendtrans-77132.2-179.3-64177.1000110.2L583 H584 Q590 M591L583-I586 WeakPolarHBondContact O-CD1 3.43Å; L583-I586 WeakPolarHBondContact O-CG1 3.16Å; H584-I586 VanDerWaalsContact C-N 3.3Å; H584-I586 PolarHBondContact O-N 2.81Å; I586-Q590 HydrophobicContact CG2-CB 3.46Å; I586-Q590 VanDerWaalsContact CG2-CB 3.46Å; I586-M591 HydrophobicContact CB-CG 4.4Å; I586-M591 HydrophobicContact CG2-CG 4.21Å
587P67.1Low63.2Low82 Ų8293.2 Ų93.253%0.53251%0.507SS..  trans-56.3143.5176.7-25.934.4000112.7A589 Q590 M591P587-A589 PolarHBondContact O-N 3.11Å; P587-Q590 WeakPolarHBondContact O-CA 3.31Å; P587-Q590 PolarHBondContact O-N 3.2Å; P587-M591 PolarHBondContact O-N 3.1Å
588V67Low63.1Low120 Ų12095.1 Ų95.173%0.72751%0.505SS*.G310 helixtrans-51.4-37.9-175.1-175.50000113.4Q590 M591V588-Q590 PolarHBondContact O-N 3.08Å; V588-Q590 VanDerWaalsContact O-N 3.15Å; V588-M591 HydrophobicContact CB-CE 4.24Å; V588-M591 HydrophobicContact CG1-CE 4.11Å; V588-M591 HydrophobicContact CG2-CE 4.06Å; V588-M591 PolarHBondContact O-N 3.45Å
589A63.9Low63.2Low101 Ų10197.6 Ų97.684%0.83551%0.514SS*.G310 helixtrans-62-19.217700000114.8P587P587-A589 PolarHBondContact O-N 3.11Å
590Q61.5Low62.7Low98 Ų98104.5 Ų104.546%0.45855%0.547SS..G310 helixtrans-101.9-15.8177.9-73-178.1-14.500113.3I586 P587 V588 G592 N593I586-Q590 HydrophobicContact CG2-CB 3.46Å; I586-Q590 VanDerWaalsContact CG2-CB 3.46Å; P587-Q590 WeakPolarHBondContact O-CA 3.31Å; P587-Q590 PolarHBondContact O-N 3.2Å; V588-Q590 PolarHBondContact O-N 3.08Å; V588-Q590 VanDerWaalsContact O-N 3.15Å; Q590-G592 PolarHBondContact O-N 3.37Å; Q590-N593 PolarHBondContact O-N 3.06Å; Q590-N593 VanDerWaalsContact O-N 3.16Å
591M56.1Low62.4Low125 Ų125105.8 Ų105.862%0.61656%0.555SS**THydrogen-bonded Turntrans-65.61.6-175.8-64-157-57.800115.3I586 P587 V588I586-M591 HydrophobicContact CB-CG 4.4Å; I586-M591 HydrophobicContact CG2-CG 4.21Å; P587-M591 PolarHBondContact O-N 3.1Å; V588-M591 HydrophobicContact CB-CE 4.24Å; V588-M591 HydrophobicContact CG1-CE 4.11Å; V588-M591 HydrophobicContact CG2-CE 4.06Å; V588-M591 PolarHBondContact O-N 3.45Å
592G63Low61.9Low70 Ų70106.9 Ų106.972%0.72257%0.567SS**THydrogen-bonded Turntrans-130.64.2174.500000115.7Q590 Y594Q590-G592 PolarHBondContact O-N 3.37Å; G592-Y594 VanDerWaalsContact C-N 3.29Å; G592-Y594 PolarHBondContact O-N 3.34Å
593N63.9Low61Low65 Ų65108.3 Ų108.335%0.34859%0.586SS.*  trans-82.568.1-173.8-164.5-0.7000113.6Q590 Q595 E596 Y597Q590-N593 PolarHBondContact O-N 3.06Å; Q590-N593 VanDerWaalsContact O-N 3.16Å; N593-Q595 PolarHBondContact O-N 3.39Å; N593-Q595 VanDerWaalsContact O-N 3.13Å; N593-E596 VanDerWaalsContact ND2-CG 3.29Å; N593-E596 WeakPolarHBondContact ND2-CG 3.47Å; N593-E596 PolarHBondContact ND2-OE2 3.47Å; N593-E596 PolarHBondContact O-N 2.73Å; N593-E596 PolarHBondContact OD1-N 3.08Å; N593-Y597 PolarHBondContact O-N 3.22Å
594Y59.2Low60.6Low156 Ų156111.2 Ų111.261%0.61261%0.609SS**Hα-helixtrans-57.9-27.2179.2-168.9-115.1000113.4G592 Y597 L598G592-Y594 VanDerWaalsContact C-N 3.29Å; G592-Y594 PolarHBondContact O-N 3.34Å; Y594-Y597 HydrophobicContact CD2-CD1 4.33Å; Y594-Y597 HydrophobicContact CE2-CD1 4.25Å; Y594-Y597 PolarHBondContact O-N 3.47Å; Y594-L598 HydrophobicContact CD1-CD1 3.78Å; Y594-L598 HydrophobicContact CD1-CG 4.12Å; Y594-L598 HydrophobicContact CE1-CD1 3.52Å; Y594-L598 HydrophobicContact CE1-CD2 4.13Å; Y594-L598 HydrophobicContact CE1-CG 3.84Å; Y594-L598 WeakPolarHBondContact O-CG 3.34Å; Y594-L598 PolarHBondContact O-N 3.37Å
595Q57.6Low60.1Low139 Ų139112.2 Ų112.265%0.6562%0.618SS**Hα-helixtrans-72.6-33.6180-66.2-169.96.900113.8N593 K599N593-Q595 PolarHBondContact O-N 3.39Å; N593-Q595 VanDerWaalsContact O-N 3.13Å; Q595-K599 WeakPolarHBondContact O-CD 3.18Å; Q595-K599 VanDerWaalsContact O-CG 3.28Å; Q595-K599 WeakPolarHBondContact O-CG 3.25Å; Q595-K599 PolarHBondContact O-N 3.27Å
596E60.6Low59.9Low103 Ų103119.8 Ų119.848%0.48164%0.635SS.*Hα-helixtrans-73.1-39.9171.7-84.1-173.9142.100111.5N593 L598 K599 M600N593-E596 VanDerWaalsContact ND2-CG 3.29Å; N593-E596 WeakPolarHBondContact ND2-CG 3.47Å; N593-E596 PolarHBondContact ND2-OE2 3.47Å; N593-E596 PolarHBondContact O-N 2.73Å; N593-E596 PolarHBondContact OD1-N 3.08Å; E596-L598 PolarHBondContact O-N 2.92Å; E596-K599 WeakPolarHBondContact O-CB 3.3Å; E596-K599 PolarHBondContact O-N 3.26Å; E596-M600 PolarHBondContact O-N 3.23Å
597Y62.4Low59.6Low136 Ų136125.3 Ų125.353%0.53366%0.66SS.*Hα-helixtrans-56.6-48.5175.4-177.8-100.9000111.8N593 Y594 K599 M600 M601N593-Y597 PolarHBondContact O-N 3.22Å; Y594-Y597 HydrophobicContact CD2-CD1 4.33Å; Y594-Y597 HydrophobicContact CE2-CD1 4.25Å; Y594-Y597 PolarHBondContact O-N 3.47Å; Y597-K599 VanDerWaalsContact C-N 3.26Å; Y597-K599 PolarHBondContact O-N 3.21Å; Y597-M600 PolarHBondContact O-N 2.87Å; Y597-M600 VanDerWaalsContact O-N 3.11Å; Y597-M601 HydrophobicContact CD1-CG 4.37Å; Y597-M601 HydrophobicContact CD1-SD 4.15Å; Y597-M601 HydrophobicContact CE1-CE 3.5Å; Y597-M601 HydrophobicContact CE1-CG 4.1Å; Y597-M601 HydrophobicContact CE1-SD 3.67Å; Y597-M601 PolarHBondContact O-N 3.16Å; Y597-M601 WeakPolarHBondContact OH-CE 3.34Å
598L61.2Low58.6Low88 Ų88129.7 Ų129.746%0.46168%0.678SS.*Hα-helixtrans-60.4-30.5174.8-75.3178.5000113.9Y594 E596 M601Y594-L598 HydrophobicContact CD1-CD1 3.78Å; Y594-L598 HydrophobicContact CD1-CG 4.12Å; Y594-L598 HydrophobicContact CE1-CD1 3.52Å; Y594-L598 HydrophobicContact CE1-CD2 4.13Å; Y594-L598 HydrophobicContact CE1-CG 3.84Å; Y594-L598 WeakPolarHBondContact O-CG 3.34Å; Y594-L598 PolarHBondContact O-N 3.37Å; E596-L598 PolarHBondContact O-N 2.92Å; L598-M601 HydrophobicContact CD2-SD 4.34Å
599K65.8Low57.7Low163 Ų163128.7 Ų128.771%0.70967%0.668SS**Hα-helixtrans-76.8-27.3176.3-70.4167.1-171.5170.80112.7Q595 E596 Y597Q595-K599 WeakPolarHBondContact O-CD 3.18Å; Q595-K599 VanDerWaalsContact O-CG 3.28Å; Q595-K599 WeakPolarHBondContact O-CG 3.25Å; Q595-K599 PolarHBondContact O-N 3.27Å; E596-K599 WeakPolarHBondContact O-CB 3.3Å; E596-K599 PolarHBondContact O-N 3.26Å; Y597-K599 VanDerWaalsContact C-N 3.26Å; Y597-K599 PolarHBondContact O-N 3.21Å
600M57.8Low57.1Low170 Ų170129.5 Ų129.584%0.83767%0.665SS**Hα-helixtrans-89.2-16.8177.3-70.4-139.8140.600113.8E596 Y597 P602E596-M600 PolarHBondContact O-N 3.23Å; Y597-M600 PolarHBondContact O-N 2.87Å; Y597-M600 VanDerWaalsContact O-N 3.11Å; M600-P602 WeakPolarHBondContact O-CD 3.42Å
601M54.7Low56.5Low94 Ų94131.7 Ų131.746%0.46368%0.68SS.*SBendtrans-61.1125.5171.3-80.3-171.7132.500110.8Y597 L598 S603Y597-M601 HydrophobicContact CD1-CG 4.37Å; Y597-M601 HydrophobicContact CD1-SD 4.15Å; Y597-M601 HydrophobicContact CE1-CE 3.5Å; Y597-M601 HydrophobicContact CE1-CG 4.1Å; Y597-M601 HydrophobicContact CE1-SD 3.67Å; Y597-M601 PolarHBondContact O-N 3.16Å; Y597-M601 WeakPolarHBondContact OH-CE 3.34Å; L598-M601 HydrophobicContact CD2-SD 4.34Å; M601-S603 PolarHBondContact O-N 3.4Å
602P54.1Low55.7Low119 Ų119133 Ų13377%0.77369%0.685SS**PPolyproline II helixtrans-57.7126.6169.8-2233.2000109.6M600 P604M600-P602 WeakPolarHBondContact O-CD 3.42Å; P602-P604 WeakPolarHBondContact O-CD 3.43Å; P602-P604 VanDerWaalsContact O-N 3.16Å
603S47.8Very low54.6Low105 Ų105135.5 Ų135.573%0.73469%0.688SS**PPolyproline II helixtrans-54.7121.1175.854.40000109.5M601 L605M601-S603 PolarHBondContact O-N 3.4Å; S603-L605 PolarHBondContact O-N 3.34Å
604P53.9Low53.3Low122 Ų122142 Ų14279%0.79271%0.713SS**PPolyproline II helixtrans-54.8131.2-179.4-2634000110.4P602 R606P602-P604 WeakPolarHBondContact O-CD 3.43Å; P602-P604 VanDerWaalsContact O-N 3.16Å; P604-R606 PolarHBondContact O-N 2.92Å
605L54.9Low52.2Low167 Ų167146.5 Ų146.587%0.87473%0.729SS**PPolyproline II helixtrans-61123.4168.7-70.4170.7000107S603 E607S603-L605 PolarHBondContact O-N 3.34Å; L605-E607 PolarHBondContact O-N 3.4Å; L605-E607 VanDerWaalsContact O-N 3.08Å
606R60.7Low51.6Low235 Ų235148 Ų14889%0.88774%0.74SS**PPolyproline II helixtrans-56.4118.1179-179-177.6-67.6145.3-0.9108.3P604 L608P604-R606 PolarHBondContact O-N 2.92Å; R606-L608 PolarHBondContact O-N 3.07Å
607E57.6Low50.6Low174 Ų174151 Ų15181%0.81375%0.754SS**PPolyproline II helixtrans-56.2137.9173.2-63.9-174.2163.100109.1L605 D609L605-E607 PolarHBondContact O-N 3.4Å; L605-E607 VanDerWaalsContact O-N 3.08Å; E607-D609 VanDerWaalsContact C-N 3.28Å; E607-D609 PolarHBondContact O-N 2.99Å
608L47.4Very low49.3Very low173 Ų173149.7 Ų149.791%0.90676%0.76SS**  trans-71.791.6174.5-77.8166.6000107.9R606 P610R606-L608 PolarHBondContact O-N 3.07Å; L608-P610 WeakPolarHBondContact O-CD 3.46Å; L608-P610 VanDerWaalsContact O-N 3.14Å
609D47.4Very low47.8Very low99 Ų99156 Ų15653%0.52979%0.785SS.*  trans-51.5111.6175.2-177.56.2000110.3E607 D611E607-D609 VanDerWaalsContact C-N 3.28Å; E607-D609 PolarHBondContact O-N 2.99Å; D609-D611 PolarHBondContact O-N 3.08Å; D609-D611 PolarHBondContact OD1-N 3.3Å
610P50.7Low46.3Very low119 Ų119151.9 Ų151.977%0.77379%0.788SS**THydrogen-bonded Turntrans-74.1-13.1-175.130.5-34.5000113L608L608-P610 WeakPolarHBondContact O-CD 3.46Å; L608-P610 VanDerWaalsContact O-N 3.14Å
611D49.8Very low45.4Very low144 Ų144150.6 Ų150.677%0.7779%0.785SS**THydrogen-bonded Turntrans-99.115.6-174.2-85.5-27.6000114.4D609 P613D609-D611 PolarHBondContact O-N 3.08Å; D609-D611 PolarHBondContact OD1-N 3.3Å; D611-P613 WeakPolarHBondContact O-CD 3.41Å
612Q39.2Very low45.1Very low153 Ų153151.1 Ų151.172%0.71580%0.795SS**  trans-74.6114.8164.1-77.6-164.712.100111.2K614Q612-K614 PolarHBondContact O-N 3.41Å
613P40.3Very low44Very low121 Ų121153.7 Ų153.779%0.78680%0.795SS**  trans-64.3130.2176.926.5-33.7000110.3D611 R615D611-P613 WeakPolarHBondContact O-CD 3.41Å; P613-R615 PolarHBondContact O-N 2.93Å
614K36.7Very low43.3Very low201 Ų201157.8 Ų157.887%0.87480%0.799SS**  trans-46.8123.9177.2-74.8174.8176.7172.10110.3Q612 L616Q612-K614 PolarHBondContact O-N 3.41Å; K614-L616 PolarHBondContact O-N 2.95Å
615R36.2Very low42.6Very low251 Ų251160 Ų16095%0.94780%0.799SS**  trans-58.398.4172.4-87.9-175.6167.2-176-3.1110.6P613 H617P613-R615 PolarHBondContact O-N 2.93Å; R615-H617 PolarHBondContact O-N 3.08Å
616L44.1Very low41.6Very low170 Ų170159 Ų15989%0.8979%0.794SS**  trans-69.296158.1-88.5154.2000108.5K614K614-L616 PolarHBondContact O-N 2.95Å
617H39.3Very low40.6Very low168 Ų168156.3 Ų156.378%0.77879%0.789SS**  trans-63.8121.3149.3-158.4-116.9000105.2R615R615-H617 PolarHBondContact O-N 3.08Å
618T34.5Very low39.6Very low107 Ų107157.9 Ų157.966%0.65679%0.793SS**  -171.1143.876.540.70000112
619F31.1Very low39.1Very low222 Ų222152.6 Ų152.697%0.97478%0.78SS**  trans48.6116.2146.7-110.5-104.1000121
620G34.3Very low38.7Very low76 Ų76156.2 Ų156.278%0.78480%0.796SS**  trans178.8138166.500000113.1
621N38.3Very low38.1Very low142 Ų142157.6 Ų157.676%0.75979%0.794SS**  trans-84.2139.6-166.5-166.334.3000113.7
622P48.3Very low37.4Very low105 Ų105157.1 Ų157.168%0.68279%0.79SS**  trans-103.6107.3-175.135.4-26.6000113.5
623F32.3Very low37.4Very low174 Ų174157.2 Ų157.276%0.76380%0.796SS**  trans-150.9134.7167.8-81.9-77.3000112.2
624K32.8Very low37.6Very low190 Ų190159.7 Ų159.783%0.82680%0.797SS**  trans72.1134.7175.7-52.2179.8-173.9-176.80112.3
625Q38.4Very low37.6Very low170 Ų170154 Ų15479%0.79479%0.787SS**  cis-159.7168.413.5-107.1154.9-5.100106.5
626D34.3Very low37.4Very low144 Ų144149 Ų14977%0.7778%0.779SS**  cis-156.1-177.2-26.6-141.3-45.1000108.5
627K39.3Very low37Very low180 Ų180148.1 Ų148.178%0.78377%0.77SS**  trans-78162.2-175.8-96.2171.3174.8170.50116.2
628K36.2Very low36.5Very low207 Ų207148.1 Ų148.190%0.977%0.768SS**  trans90141.6148.3-80.3171.1173.9-171.50120.7
629G37.6Very low36.4Very low61 Ų61149.3 Ų149.363%0.62978%0.775SS**  trans14678.6172.100000109
630M38Very low36.3Very low176 Ų176142.8 Ų142.887%0.86776%0.762SS**  69.7133.590.8-74.4160.458.300112.7
631M39.2Very low36.1Very low147 Ų147142.7 Ų142.772%0.72476%0.761SS**  cis-149.2140.7-6.1-78.7-113.5-6900106
632I35.9Very low36Very low134 Ų134142.2 Ų142.269%0.68777%0.766SS**  47.2111.692.1-55.1170.8000113.3
633D38.9Very low35.3Very low156 Ų156145.8 Ų145.883%0.83477%0.774SS**  -149.8156.5110-146.1-6.8000112.3
634E43.5Very low35Very low173 Ų173145 Ų14581%0.80878%0.778SS**  trans-96.6-176.8-175-58.9-176.7144.600109.4
635A36.5Very low35.2Very low81 Ų81145 Ų14567%0.66978%0.777SS**  cis-164.1-174.228.400000114
636D33.1Very low34.8Very low145 Ų145146.1 Ų146.178%0.77578%0.78SS**  trans73.4138.3162.1-66.44.1000122
637E35.8Very low34.6Very low152 Ų152151.4 Ų151.471%0.7179%0.789SS**  cis-157.6148.1-35.9-134.9-155.2144.700111
638F27.6Very low34Very low168 Ų168146 Ų14674%0.73778%0.784SS**  trans42.3127149.4-101.8-110.9000124.4
639V32.6Very low33.8Very low132 Ų132145.5 Ų145.580%0.878%0.784SS**  168.489.2105.6165.60000106.3
640A29.6Very low33.5Very low85 Ų85148.3 Ų148.370%0.70279%0.794SS**  99.1131.581.400000113.3
641G28.9Very low33Very low74 Ų74143.9 Ų143.976%0.76379%0.793SS**  trans-89-144-17600000114.5
642P38.2Very low32.6Very low133 Ų133144.6 Ų144.686%0.86480%0.8SS**  -141.8162.152.337.6-19.2000117.4
643Q32.3Very low32.9Very low179 Ų179143.2 Ų143.284%0.83680%0.8SS**  trans-90.9165.9155.2-73.6-166-3.900110.7
644N26.5Very low32.2Very low159 Ų159143.2 Ų143.285%0.8580%0.8SS**  trans-139.5133.1158.8-144.8-16.2000112.9
645K36Very low31.6Very low188 Ų188140.2 Ų140.282%0.81780%0.798SS**  trans-158.8127.7178.9-113.5-171.9-177.7177.50110.8
646K29.8Very low31.3Very low194 Ų194140.4 Ų140.484%0.84381%0.808SS**  trans-143.1128.2157-69-174.4176.9178.20106.2
647R30.6Very low31Very low256 Ų256136.8 Ų136.897%0.96681%0.805SS**  59.3130.265.8-73.3-172.1173.3-176.1-0.2112.5
648G27.6Very low30.8Very low65 Ų65136.4 Ų136.467%0.6781%0.813SS**  cis157.8171.7-6.700000113.2
649H32.4Very low31Very low197 Ų197136.5 Ų136.591%0.91282%0.818SS**  trans79.2152.8172.3-64.188.5000118.3
650S30.6Very low31Very low121 Ų121139.6 Ų139.685%0.84682%0.821SS**  cis-158.9157.9842.60000113.7
651G27.6Very low31.2Very low82 Ų82146.8 Ų146.885%0.84583%0.83SS**  trans147.8123.7158.500000117.2
652D30.1Very low31.3Very low162 Ų162153.9 Ų153.987%0.86683%0.834SS**  trans-116.4-177.4-174.6-108.2-34.3000111.6
653P42.1Very low31.1Very low106 Ų106158.6 Ų158.669%0.68883%0.834SS**  cis-138.4-159.1-28.238.9-18.7000114.2
654N25.5Very low30.9Very low155 Ų155155 Ų15583%0.82983%0.829SS**  trans77.1139.5174.5-84.81.7000118.4
655S31Very low31Very low110 Ų110155.5 Ų155.577%0.76983%0.828SS**  cis-168.3147.6-14.450.40000110.2
656G28.5Very low30.8Very low85 Ų85151 Ų15188%0.87682%0.821SS**  trans127.3104.1170.500000113.4
657G27.9Very low31Very low70 Ų70148 Ų14872%0.72282%0.821SS**  trans-102.6156.9-17400000114.6
658T32.3Very low31Very low143 Ų143143.1 Ų143.188%0.87781%0.813SS**  trans-167100.8136.214.60000112.3K660T658-K660 PolarHBondContact O-N 3.18Å
659M29.9Very low31.2Very low170 Ų170147.9 Ų147.984%0.83782%0.822SS**  trans22.695.2135.4-66-75.6-163.200119.3
660K33.5Very low31.2Very low198 Ų198150.3 Ų150.386%0.86182%0.824SS**  170.113292.1-95.5170.2-175.6177.50116T658T658-K660 PolarHBondContact O-N 3.18Å
661R33Very low31Very low236 Ų236155.7 Ų155.789%0.89183%0.825SS**  trans-53163.3155.4-82.3174.5177.4174.6-0.4112.3
662R31.4Very low31.1Very low223 Ų223157.5 Ų157.584%0.84282%0.822SS**  cis-171.2154.2-0.6153179.5-179.3-168.34109.6
663R34.4Very low31Very low231 Ų231158.9 Ų158.987%0.87282%0.823SS**  trans-67.7146.4173-53.1166.6177.9166.7-3.2113
664S28.5Very low30.3Very low105 Ų105160.3 Ų160.373%0.73483%0.83SS**  trans176.5124133.750.30000116.3
665M28.4Very low30.5Very low168 Ų168158.6 Ų158.683%0.82883%0.828SS**  trans76.7116.7137-57.3-65.9-81.700123
666S30.5Very low30.4Very low94 Ų94159.6 Ų159.666%0.65783%0.832SS**  trans62114.2130.5-48.70000122.5
667P35.8Very low30.1Very low130 Ų130160.4 Ų160.484%0.84483%0.83SS**  trans-101133156.434.6-26.1000112.4
668L30.3Very low29.9Very low155 Ų155162.2 Ų162.281%0.81283%0.832SS**  trans-114.7136.1167.4-85.4171.3000110.8
669L31.9Very low29.6Very low165 Ų165161.2 Ų161.286%0.86483%0.825SS**  trans55.7110.9147.2-58.2170.7000119.3
670R31.4Very low29.3Very low248 Ų248159.5 Ų159.594%0.93682%0.82SS**  trans-129.3126.7154.3-158.7176.4-167.1176.23.9109.5
671R26.7Very low29Very low233 Ų233157.9 Ų157.988%0.87982%0.815SS**PPolyproline II helixtrans-92.3134-179.8-178.5-179.6-179.6175.41.6110.1
672P30Very low28.5Very low120 Ų120152.8 Ų152.878%0.77981%0.81SS**PPolyproline II helixtrans-74.8151.8172-15.631.1000112.7
673Q27.3Very low28.1Very low191 Ų191145.9 Ų145.989%0.89380%0.8SS**PPolyproline II helixtrans-99.5151.5172.4-73.7177.8-32.100111.4
674T27.1Very low27.6Very low136 Ų136142.1 Ų142.183%0.83480%0.802SS**PPolyproline II helixtrans-89.7138.4169.446.50000111
675P31Very low27.3Very low119 Ų119140 Ų14077%0.77380%0.798SS**PPolyproline II helixtrans-85.7152.5173.334.6-33.6000112.5
676P29.2Very low27.2Very low132 Ų132142.3 Ų142.386%0.85780%0.803SS**PPolyproline II helixtrans-89.6168.6170.337-34.1000112.3
677A21.6Very low26.9Very low101 Ų101143.5 Ų143.584%0.83581%0.812SS**  trans-124.4139.9175.700000111.8
678S24.6Very low26.5Very low109 Ų109143.4 Ų143.476%0.76281%0.811SS**  trans-165.3109.3156.959.90000112.8
679T24.6Very low26.2Very low121 Ų121139.7 Ų139.774%0.74281%0.81SS**  trans38.5118.8138.655.40000122.5
680N24.9Very low25.9Very low135 Ų135139.6 Ų139.672%0.72281%0.805SS**  84.6112.3123-68.36000123.6
681H26.4Very low25.7Very low164 Ų164134.7 Ų134.776%0.75979%0.793SS**  91121.2127-85.1-66.3000123.3
682V22.9Very low25.6Very low129 Ų129130.3 Ų130.378%0.78279%0.787SS**  trans93130.6136.41720000120.9
683A22.5Very low25.4Very low78 Ų78131.5 Ų131.565%0.64579%0.786SS**  trans83.5118.8151.800000121.8
684V23.9Very low25.4Very low151 Ų151129.8 Ų129.892%0.91578%0.782SS**  trans62.3130.4131.8-176.60000118
685G23.1Very low25.2Very low62 Ų62132.8 Ų132.864%0.63978%0.784SS**  cis154.3154.9-2.600000112.1
686K25.6Very low24.9Very low216 Ų216132.7 Ų132.794%0.93978%0.783SS**  trans68.2122.9168.5-61.8-178.4177.3178.80119.2
687S23.2Very low24.6Very low119 Ų119130.8 Ų130.883%0.83278%0.778SS**  trans-139.7129157.153.60000109
688P28.5Very low24.7Very low128 Ų128130.5 Ų130.583%0.83177%0.77SS**  trans-118.1130.5176.136-24.8000114.6
689G23.1Very low24.8Very low77 Ų77133.7 Ų133.779%0.79477%0.773SS**  trans73.8159.715400000118.6
690Q27.2Very low24.8Very low163 Ų163136.4 Ų136.476%0.76278%0.777SS**  cis-169.6166.8-6.3-139.9-174.417.500111.1
691Q26.6Very low24.9Very low144 Ų144137.6 Ų137.667%0.67378%0.776SS**  trans75.1144.4157.6-63.5170.344.800118.1
692N24.4Very low24.7Very low141 Ų141136 Ų13675%0.75477%0.773SS**  cis-152156.11.8-117-19.1000116.2
693L26.8Very low24.8Very low145 Ų145133.1 Ų133.176%0.75977%0.769SS**  trans-34.2155168.9-137.170.3000120.4
694L26.2Very low25Very low156 Ų156136.9 Ų136.982%0.81778%0.778SS**  168.2105.8117.6-91.5166.1000116.3
695K22.6Very low25Very low199 Ų199136.5 Ų136.587%0.86577%0.771SS**  169.2149.9115.1-97.7-171.4174.7-178.10113.5
696P25.6Very low25.1Very low116 Ų116139.3 Ų139.375%0.75378%0.775SS**  trans-120.3166.9-172.943.6-33000116.3
697A22Very low25.2Very low92 Ų92134.7 Ų134.776%0.7677%0.765SS**  trans40.7157.4132.800000122.5
698S24.6Very low25.2Very low95 Ų95136.2 Ų136.266%0.66476%0.763SS**  cis-179.8163.9-18.755.40000111.8
699Q25.5Very low25.1Very low177 Ų177135.4 Ų135.483%0.82776%0.756SS**  trans84.6133.2138.5-88.9179-3.600124.7
700H24.9Very low25.2Very low178 Ų178139.7 Ų139.782%0.82476%0.755SS**  trans177.2123.1134.7-103.5-86.3000106.8
701K26.4Very low25.1Very low160 Ų160136 Ų13670%0.69675%0.748SS**  67.2136.263.4-75.8-158131.5-132.20114.5
702D23.9Very low25Very low130 Ų130137 Ų13770%0.69576%0.758SS**  cis-153.1172.2-4.6-83.2-38.1000107.1
703G24.8Very low25.1Very low68 Ų68133.8 Ų133.870%0.70176%0.758SS**  cis170.7164.4-3.400000113.1
704N26.9Very low24.9Very low158 Ų158135.2 Ų135.285%0.84577%0.766SS**  trans46.4127.1166.6-82.419.6000124.6
705N23.5Very low24.9Very low142 Ų142130.5 Ų130.576%0.75976%0.756SS**  -163.5130.193.1-1234.9000115.6
706V25.9Very low25Very low121 Ų121127.2 Ų127.273%0.73375%0.752SS**  trans55.7140148.5-176.70000121.4
707V27.2Very low25Very low120 Ų120130 Ų13073%0.72776%0.76SS**  cis176.1149.8-47.8143.10000109.7
708L23.3Very low25Very low150 Ų150129.2 Ų129.279%0.78576%0.761SS**  trans113.195.1169.3-72.4135.8000113.7
709T26Very low25.1Very low112 Ų112132.9 Ų132.969%0.68777%0.772SS**  61.4141.868.461.50000114.3
710E25Very low24.9Very low166 Ų166131.6 Ų131.678%0.77677%0.771SS**  cis-157.8-178.16.7-129.2-176.4-94.300109.5
711S26Very low25Very low87 Ų87128.5 Ų128.561%0.60877%0.769SS**  cis-152.9-1605.6-153.70000113
712N23.8Very low24.8Very low164 Ų164124.2 Ų124.288%0.87777%0.77SS**  trans-92.6169.2-176.2-65.5-51.5000115.5
713G25.5Very low24.8Very low74 Ų74127.3 Ų127.376%0.76378%0.781SS**  trans-17834.7168.600000121.7
714D24.4Very low24.7Very low174 Ų174131.5 Ų131.593%0.9379%0.786SS**  trans54.2151.3152.3-141.1-1.6000123.6
715G24.6Very low24.6Very low58 Ų58135 Ų13560%0.59879%0.787SS**  trans112.751.4132.800000125.4
716V24.7Very low24.7Very low130 Ų130133.8 Ų133.879%0.78879%0.787SS**  trans66.6108.2135.5-176.40000122.3
717L25.4Very low24.4Very low173 Ų173133.1 Ų133.191%0.90679%0.788SS**  trans54.9120.8137.7-57.4175.7000123.8
718G23.4Very low24.3Very low76 Ų76136.6 Ų136.678%0.78480%0.796SS**  trans-172.8138.715400000113.1
719L25.3Very low24.3Very low172 Ų172133.5 Ų133.590%0.90179%0.792SS**  trans-67.5152.7166.1-79.168.8000108.7
720D22.8Very low24.2Very low150 Ų150136.4 Ų136.480%0.80280%0.803SS**  -176.1178.969.2-162.83.5000110.8
721S25.4Very low24.2Very low113 Ų113132.5 Ų132.579%0.7980%0.799SS**  trans-78.8146.5176.5-52.50000112.8
722G23.6Very low24Very low70 Ų70137.3 Ų137.372%0.72281%0.812SS**  trans176.690.717100000114.3
723E23.7Very low24Very low195 Ų195133.2 Ų133.291%0.91180%0.801SS**  trans-70.3127.3165.5-67.6-176.4147.400110.1
724I23Very low24Very low157 Ų157138 Ų13881%0.80581%0.808SS**  trans-128.3127.9168.3-65.5-178.9000107.7
725W24.2Very low23.9Very low232 Ų232134.8 Ų134.888%0.87980%0.799SS**  trans-73.2143.6172.4-7171.6000111.4
726P25.1Very low24Very low116 Ų116137.6 Ų137.675%0.75381%0.807SS**  trans-93.1148.5149.228.7-17.8000111.3
727S20.7Very low23.9Very low107 Ų107136.8 Ų136.875%0.74881%0.807SS**  trans-99.6-177.4174-69.10000111.6
728E24.1Very low24.2Very low193 Ų193134 Ų13490%0.90280%0.8SS**  trans80.9147.9166-54.6-176.9177.600116.5
729A23.8Very low24.2Very low85 Ų85138.3 Ų138.370%0.70280%0.804SS**  cis-171.2145.8-27.600000106.9
730D23.2Very low24Very low173 Ų173135.3 Ų135.393%0.92579%0.793SS**  trans-172.9163133.3-118.6-29.3000112.9
731A24.7Very low24.1Very low83 Ų83135.7 Ų135.769%0.68679%0.794SS**  trans-121.3153.1-175.600000112.7
732E23.1Very low24.1Very low189 Ų189138 Ų13888%0.88379%0.792SS**  -175.7143.8114.6-99.2-153.515200114.9
733A24.3Very low24.2Very low78 Ų78140.2 Ų140.265%0.64579%0.787SS**  trans38.2117.1145.500000122.3
734L24Very low24.3Very low174 Ų174138.4 Ų138.491%0.91178%0.776SS**  -175.8137.592.4-93.5162.5000112.5
735S23.5Very low24.3Very low106 Ų106138 Ų13874%0.74178%0.782SS**  trans-86.2166.7-179.864.30000112.8
736P26.9Very low24.2Very low117 Ų117130 Ų13076%0.7677%0.772SS**  -152.1166.284.139.4-21000117.7
737S22.3Very low24.2Very low114 Ų114133 Ų13380%0.79778%0.78SS**  trans-155.3142.7150.7-70.40000105.4
738P31.7Very low24.2Very low115 Ų115132.9 Ų132.975%0.74779%0.786SS**  -161.1161.891.940.4-19.5000119.4
739L22.5Very low24.2Very low165 Ų165128.2 Ų128.286%0.86478%0.78SS**  trans81.6156.2138.6-74.8164.9000124.8
740T22.1Very low24.5Very low110 Ų110129 Ų12968%0.67578%0.778SS**  trans-104.4161.8-162.347.70000115.4
741L24.4Very low24.4Very low157 Ų157129 Ų12982%0.82277%0.77SS**  -172.4-179.8123-129.277.6000115.5
742E24.8Very low24.3Very low163 Ų163131.5 Ų131.576%0.76277%0.768SS**  trans-83.4-174.3-163.5-58.7170.9122.900115
743D25.6Very low24.4Very low115 Ų115128.2 Ų128.262%0.61576%0.76SS**  cis-163.1161.530-161.721.7000117.8
744K27.3Very low24.3Very low157 Ų157132 Ų13268%0.68377%0.765SS**  trans14.7137.5162.1-81167.5-148.584.70126.6
745T21.5Very low24.3Very low149 Ų149132.3 Ų132.391%0.91476%0.761SS**  -177.8162.5104250000110.9
746G23Very low24.3Very low65 Ų65130.6 Ų130.667%0.6775%0.753SS**  cis178133-11.300000114.2
747L24.7Very low24Very low179 Ų179131 Ų13194%0.93776%0.759SS**  trans27.2125.1166.4-74.982.7000123.2
748A21.1Very low24Very low104 Ų104130 Ų13086%0.8676%0.758SS**  -173.9135.410300000112.8
749A23.1Very low23.6Very low95 Ų95131.3 Ų131.379%0.78576%0.763SS**  trans-116.5179.4169.900000108.7
750P30.5Very low23.7Very low101 Ų101131.5 Ų131.566%0.65676%0.76SS**  cis-138-159.741.843.8-22.8000112.9
751F22Very low23.7Very low172 Ų172134.2 Ų134.275%0.75477%0.77SS**  cis-146.7162.67.2-109.7-47.1000112.5
752Q22.8Very low23.7Very low137 Ų137135 Ų13564%0.6477%0.77SS**  trans6.1139.3149.2-74.6159.6-23.700121.8
753V23.7Very low23.6Very low119 Ų119134.6 Ų134.672%0.72177%0.772SS**  cis72.1130.836.4-166.30000110.9
754E23.8Very low23.4Very low159 Ų159136 Ų13674%0.74378%0.775SS**  -177.5161.568-123.8118.9-129.700105.4
755E23.1Very low23.4Very low180 Ų180135.3 Ų135.384%0.84178%0.778SS**  cis-157-128.4-9.9-150.3-135.7100.500111.5
756A23.1Very low23.4Very low69 Ų69136.4 Ų136.457%0.5777%0.773SS**  trans-124.4176.2-167.100000116.1
757S20.2Very low23.4Very low127 Ų127142.1 Ų142.189%0.88878%0.782SS**  162.3161.4121.549.40000112.9
758A22.6Very low23.3Very low93 Ų93142.5 Ų142.577%0.76978%0.779SS**  trans-120.8155.9-17900000110.7
759V23.7Very low23.3Very low142 Ų142143.9 Ų143.986%0.86178%0.777SS**  trans-154.2153.9146.8170.70000108.8
760E23.9Very low23.4Very low169 Ų169146 Ų14679%0.7978%0.781SS**  trans-81.8163.8-174.9-59.7151.114400113.8
761D22.9Very low22.9Very low167 Ų167150.1 Ų150.189%0.89379%0.791SS**  -178.8153.4121.5-97.7-27.6000112.2
762E23.6Very low23Very low173 Ų173150.9 Ų150.981%0.80880%0.797SS**  trans-93.1159.4-178.6-58-162.7142.400113.1
763D22.7Very low23.1Very low154 Ų154155.4 Ų155.482%0.82481%0.808SS**  -167.5160.6119.7-125-30.4000115.8
764H23Very low23.2Very low144 Ų144158.9 Ų158.967%0.66782%0.816SS**  trans-66160.1-163.3-80.9-73000123.5
765L26.2Very low23.1Very low144 Ų144158.3 Ų158.375%0.75482%0.818SS**  trans62.4142.3142.4-69.2157.6000118.9
766E22.5Very low23.1Very low171 Ų171156.1 Ų156.180%0.79982%0.821SS**  cis-166.1167.839.4-148.4163.9-130.800112.4
767E22.8Very low23.1Very low186 Ų186160.3 Ų160.387%0.86983%0.834SS**  trans-81.5135.6171.8-75.8-179.6116.700112.3
768Q22.7Very low23.3Very low187 Ų187165.3 Ų165.387%0.87483%0.833SS**  trans-150.3131.3146.3-133.6167.351.500115.5
769T21.2Very low23.4Very low132 Ų132168.3 Ų168.381%0.8184%0.836SS**  trans-72.8137.8175.750.40000112.4
770T23.6Very low23.4Very low141 Ų141166.7 Ų166.787%0.86583%0.831SS**  trans-133.1121.5158.728.90000110.4
771E21.4Very low23.6Very low187 Ų187164.5 Ų164.587%0.87483%0.831SS**  trans-86.4128.2168.1-61.2-175.3145.800108.9
772E24.4Very low23.7Very low188 Ų188165.3 Ų165.388%0.87983%0.83SS**  trans-129.8127.5156.4-75.6-157.1140.900111.5
773R23Very low23.8Very low232 Ų232162.8 Ų162.888%0.87583%0.831SS**  trans-81.9128.7178.3-69.1168.8168.3162.7-4.2109.9
774H25.9Very low24Very low192 Ų192163.3 Ų163.389%0.88983%0.829SS**  trans-131.6122.7149.9-90.1-36.7000114
775N22.7Very low24.2Very low147 Ų147163 Ų16379%0.78683%0.831SS**  trans-52.2141.9171.9-83.4-19.8000112.6
776C22.3Very low24.3Very low133 Ų133163.2 Ų163.290%0.89983%0.833SS**  trans-14262.8154.1-89.80000110.3
777D23.4Very low24.3Very low158 Ų158159 Ų15985%0.84584%0.835SS**  trans-87.6102.3163.7-99-31.4000109.7
778R25.1Very low24.6Very low231 Ų231155.4 Ų155.487%0.87283%0.831SS**  trans-159.3150.2152.2-142.6174179.6-176.7-0.8113.1
779L24.2Very low24.8Very low156 Ų156155.8 Ų155.882%0.81783%0.833SS**  trans79112.5178.6-46.6178.6000112.2
780S23Very low25Very low109 Ų109157 Ų15776%0.76283%0.834SS**  cis-162.2-175.624.7-46.90000110.4
781P30.1Very low25.4Very low123 Ų123156.9 Ų156.980%0.79983%0.828SS**  cis-125.1179.1-19.422.11.3000112.9
782Q23.1Very low25.6Very low183 Ų183157.8 Ų157.886%0.85583%0.829SS**  trans-71.8148.8173.6-65.7155-75.400112.9
783S27.5Very low25.7Very low120 Ų120152.6 Ų152.684%0.83982%0.819SS**  trans-138.1110.9154.3600000109.8
784E25.7Very low26.4Very low165 Ų165146.6 Ų146.677%0.77182%0.819SS**  trans-61.9154163.6-68.4170.8172.200109.8
785L28.5Very low26.7Very low139 Ų139145.2 Ų145.273%0.72882%0.817SS**  cis-149.6155.916.3-109.5132000111.1
786D26.7Very low27.1Very low148 Ų148145.7 Ų145.779%0.79182%0.82SS**  trans24.5122.4155.5-63.6-10.2000122.2
787G22.8Very low27.7Very low82 Ų82145.8 Ų145.885%0.84582%0.816SS**  trans-113.2141.4135.600000109.4
788S28.4Very low28.4Very low110 Ų110142.3 Ų142.377%0.76980%0.797SS**  trans-113.5121.7165.958.50000109.1
789E27.7Very low29.1Very low196 Ų196141.5 Ų141.592%0.91680%0.796SS**  trans-174148.4132.4-105.3170.4-162.600110.8
790D26.4Very low30.2Very low158 Ų158136.4 Ų136.485%0.84577%0.768SS**  trans-81.1154-168.5-76.3-61.1000114.6
791D30.1Very low31.2Very low137 Ų137136.3 Ų136.373%0.73376%0.764SS**  trans38.6111.4138.4-161.914.8000119.8
792F25.7Very low32Very low206 Ų206136.5 Ų136.590%0.90477%0.765SS**  trans-148.7101.2142.3-106.1-74000111.7
793A27.5Very low33.6Very low79 Ų79130 Ų13065%0.65374%0.736SS**  trans43.1125.2144.100000120.2
794A36.6Very low35.1Very low107 Ų107130.3 Ų130.388%0.88473%0.728SS**  trans-56.3137.6173.700000113.7
795L32.2Very low36.7Very low163 Ų163125.2 Ų125.285%0.85372%0.72SS**  trans-115133.8162.2-86.6167.6000109.3T797L795-T797 PolarHBondContact O-N 3.13Å
796D32.1Very low38.3Very low156 Ų156123.7 Ų123.783%0.83472%0.72SS**  trans-53.2129-171.2-72.9-54.9000113.9I798D796-I798 PolarHBondContact O-N 3.2Å
797T33.9Very low40.2Very low135 Ų135119 Ų11983%0.82869%0.693SS**  trans-79.386.8171.7-58.50000109.2L795 Y799L795-T797 PolarHBondContact O-N 3.13Å; T797-Y799 PolarHBondContact O-N 3.35Å
798I39.8Very low42.4Very low85 Ų85117.2 Ų117.244%0.43667%0.67SS.*  trans-62.8104.5174.4-54.9177.1000109.1D796 I800D796-I798 PolarHBondContact O-N 3.2Å; I798-I800 HydrophobicContact CG2-CD1 4.13Å; I798-I800 HydrophobicContact CG2-CG1 3.88Å
799Y38.2Very low44.6Very low215 Ų215116.8 Ų116.884%0.84366%0.656SS**  trans-71.4129.1172.5-167.8-93.2000109.9T797T797-Y799 PolarHBondContact O-N 3.35Å
800I48.4Very low46.9Very low48 Ų48108.8 Ų108.825%0.24662%0.62CS.*  trans-132.6128.2178.8-53.9-176.7000109.7I798 V841 Y844I798-I800 HydrophobicContact CG2-CD1 4.13Å; I798-I800 HydrophobicContact CG2-CG1 3.88Å; I800-V841 HydrophobicContact CG2-CG2 4.2Å; I800-Y844 HydrophobicContact CD1-CD2 3.73Å; I800-Y844 HydrophobicContact CD1-CG 3.77Å
801T42.7Very low49.4Very low108 Ų108104.4 Ų104.466%0.66359%0.591SS**PPolyproline II helixtrans-51149.4173.5-38.30000112L803T801-L803 PolarHBondContact O-N 3Å
802P48.1Very low51.7Low126 Ų126100.8 Ų100.882%0.81858%0.576SS**PPolyproline II helixtrans-51.5126.2-179.5-29.436.2000112.8
803L56.8Low54.2Low47 Ų4797 Ų9725%0.24656%0.556CS.*PPolyproline II helixtrans-71132.3179.5-68.7115.6000110.7T801 Q807 V841 Y844 F845T801-L803 PolarHBondContact O-N 3Å; L803-Q807 HydrophobicContact CB-CB 4.16Å; L803-Q807 HydrophobicContact CD2-CB 3.97Å; L803-V841 HydrophobicContact CD2-CG1 4.18Å; L803-Y844 HydrophobicContact CD1-CE1 4.32Å; L803-F845 HydrophobicContact CD2-CE2 3.48Å; L803-F845 VanDerWaalsContact CD2-CE2 3.48Å; L803-F845 HydrophobicContact CD2-CZ 4.04Å
804D59.2Low56.6Low126 Ų12693.4 Ų93.467%0.67453%0.526SS*.PPolyproline II helixtrans-55.8150.6175.1-104.8-33.1000111.9C806 Q807 A808D804-C806 PolarHBondContact O-N 2.74Å; D804-Q807 WeakPolarHBondContact O-CA 3.43Å; D804-Q807 WeakPolarHBondContact O-CB 3.48Å; D804-Q807 PolarHBondContact O-N 3.48Å; D804-A808 PolarHBondContact O-N 2.95Å
805G59.7Low58.7Low59 Ų5989.7 Ų89.761%0.60849%0.491SS*.Hα-helixtrans-52.2-36.7-174.300000114.1A808 E809G805-A808 PolarHBondContact O-N 3.08Å; G805-E809 PolarHBondContact O-N 3.26Å
806C61.8Low61.1Low107 Ų10788.7 Ų88.772%0.72348%0.48SS*.Hα-helixtrans-64.8-38.4175.2-62.90000113.1D804 L810D804-C806 PolarHBondContact O-N 2.74Å; C806-L810 WeakPolarHBondContact O-CB 3.49Å; C806-L810 PolarHBondContact O-N 3.36Å
807Q65.9Low63.3Low48 Ų4883.6 Ų83.622%0.22445%0.451CS..Hα-helixtrans-72.4-37.3176.7-70.2176.5-18.300111L803 D804 L810 R811 K836 F845L803-Q807 HydrophobicContact CB-CB 4.16Å; L803-Q807 HydrophobicContact CD2-CB 3.97Å; D804-Q807 WeakPolarHBondContact O-CA 3.43Å; D804-Q807 WeakPolarHBondContact O-CB 3.48Å; D804-Q807 PolarHBondContact O-N 3.48Å; Q807-L810 PolarHBondContact O-N 3.35Å; Q807-R811 PolarHBondContact O-N 3.09Å; Q807-K836 PolarHBondContact NE2-O 3.45Å; Q807-F845 HydrophobicContact CB-CZ 4.21Å; Q807-F845 WeakPolarHBondContact O-CZ 3.4Å
808A69.8Low65.5Low45 Ų4577.2 Ų77.237%0.37241%0.412SS..Hα-helixtrans-63.7-38.3173.600000112.6D804 G805 S812D804-A808 PolarHBondContact O-N 2.95Å; G805-A808 PolarHBondContact O-N 3.08Å; A808-S812 PolarHBondContact O-N 3.12Å; A808-S812 VanDerWaalsContact O-N 3.1Å; A808-S812 PolarHBondContact O-OG 2.79Å
809E73.7Confident67.4Low102 Ų10279.6 Ų79.648%0.47742%0.415SS..Hα-helixtrans-68.8-41173.8-150.1-155.5148.200111.8G805 R811 S812 R813G805-E809 PolarHBondContact O-N 3.26Å; E809-R811 PolarHBondContact O-N 3.12Å; E809-S812 WeakPolarHBondContact O-CB 3.34Å; E809-S812 PolarHBondContact O-N 3.12Å; E809-S812 VanDerWaalsContact O-N 3.14Å; E809-R813 WeakPolarHBondContact O-CG 3.43Å; E809-R813 PolarHBondContact O-N 3.15Å; E809-R813 IonicContact OE1-CZ 3.91Å; E809-R813 IonicContact OE1-NE 3.38Å; E809-R813 PolarHBondContact OE1-NE 2.86Å; E809-R813 IonicContact OE1-NH2 2.65Å; E809-R813 PolarHBondContact OE1-NH2 3.2Å; E809-R813 IonicContact OE2-NH2 3.68Å
810L76.3Confident69.4Low28 Ų2874.7 Ų74.715%0.14740%0.398CS..Hα-helixtrans-60.1-44.2175.6-160.180.5000111.4C806 Q807 S812 R813 V814 L831 V835 F845C806-L810 WeakPolarHBondContact O-CB 3.49Å; C806-L810 PolarHBondContact O-N 3.36Å; Q807-L810 PolarHBondContact O-N 3.35Å; L810-S812 VanDerWaalsContact C-N 3.3Å; L810-S812 PolarHBondContact O-N 3.41Å; L810-R813 PolarHBondContact O-N 3.28Å; L810-R813 VanDerWaalsContact O-N 3.13Å; L810-V814 WeakPolarHBondContact O-CG2 3.11Å; L810-V814 PolarHBondContact O-N 2.89Å; L810-L831 HydrophobicContact CD1-CD2 4.27Å; L810-V835 HydrophobicContact CD2-CB 4.45Å; L810-V835 HydrophobicContact CD2-CG2 3.68Å; L810-F845 HydrophobicContact CB-CE1 4.47Å; L810-F845 HydrophobicContact CD2-CE1 4.46Å
811R78.4Confident70Confident66 Ų6678.9 Ų78.925%0.24943%0.428CS..Hα-helixtrans-57.5-43.8173.5179.6179174.2175.8-0.8111.4Q807 E809 R813 V814 I815 Y844 F845 H848Q807-R811 PolarHBondContact O-N 3.09Å; E809-R811 PolarHBondContact O-N 3.12Å; R811-R813 VanDerWaalsContact C-N 3.32Å; R811-R813 PolarHBondContact O-N 2.88Å; R811-V814 PolarHBondContact O-N 2.79Å; R811-I815 HydrophobicContact CG-CD1 3.96Å; R811-I815 WeakPolarHBondContact O-CG1 3.39Å; R811-I815 PolarHBondContact O-N 2.75Å; R811-Y844 PolarHBondContact NH1-OH 3.35Å; R811-Y844 PolarHBondContact NH2-OH 3.33Å; R811-F845 HydrophobicContact CB-CD1 4.4Å; R811-F845 HydrophobicContact CB-CE1 3.63Å; R811-F845 HydrophobicContact CB-CZ 4.01Å; R811-F845 HydrophobicContact CG-CE1 4.47Å; R811-H848 PolarHBondContact NH2-CD2 2.95Å; R811-H848 PolarHBondContact NH2-NE2 3.2Å
812S79.2Confident71.3Confident60 Ų6076 Ų7642%0.4242%0.42SS..Hα-helixtrans-64.7-35.1177.8-60.20000112.5A808 E809 L810 K816A808-S812 PolarHBondContact O-N 3.12Å; A808-S812 VanDerWaalsContact O-N 3.1Å; A808-S812 PolarHBondContact O-OG 2.79Å; E809-S812 WeakPolarHBondContact O-CB 3.34Å; E809-S812 PolarHBondContact O-N 3.12Å; E809-S812 VanDerWaalsContact O-N 3.14Å; L810-S812 VanDerWaalsContact C-N 3.3Å; L810-S812 PolarHBondContact O-N 3.41Å; S812-K816 WeakPolarHBondContact O-CB 3.32Å; S812-K816 VanDerWaalsContact O-CG 3.26Å; S812-K816 WeakPolarHBondContact O-CG 3.25Å; S812-K816 PolarHBondContact O-N 3.2Å; S812-K816 VanDerWaalsContact O-N 3.1Å
813R77.9Confident72.1Confident126 Ų12680.4 Ų80.448%0.47542%0.421SS..Hα-helixtrans-70.4-44.5173.5-68.4176.1-173.8-170.13.3111.8E809 L810 R811 I815 K816 E817E809-R813 WeakPolarHBondContact O-CG 3.43Å; E809-R813 PolarHBondContact O-N 3.15Å; E809-R813 IonicContact OE1-CZ 3.91Å; E809-R813 IonicContact OE1-NE 3.38Å; E809-R813 PolarHBondContact OE1-NE 2.86Å; E809-R813 IonicContact OE1-NH2 2.65Å; E809-R813 PolarHBondContact OE1-NH2 3.2Å; E809-R813 IonicContact OE2-NH2 3.68Å; L810-R813 PolarHBondContact O-N 3.28Å; L810-R813 VanDerWaalsContact O-N 3.13Å; R811-R813 VanDerWaalsContact C-N 3.32Å; R811-R813 PolarHBondContact O-N 2.88Å; R813-I815 PolarHBondContact O-N 3.02Å; R813-K816 PolarHBondContact O-N 2.95Å; R813-E817 PolarHBondContact O-N 3.19Å
814V78.4Confident72.7Confident4 Ų485.3 Ų85.32%0.02445%0.447CS..Hα-helixtrans-57.3-48.2174.5171.40000111.1L810 R811 K816 E817 V818 L831 L832 A849L810-V814 WeakPolarHBondContact O-CG2 3.11Å; L810-V814 PolarHBondContact O-N 2.89Å; R811-V814 PolarHBondContact O-N 2.79Å; V814-K816 VanDerWaalsContact C-N 3.35Å; V814-K816 PolarHBondContact O-N 3.13Å; V814-E817 PolarHBondContact O-N 2.76Å; V814-V818 HydrophobicContact CG1-CG2 4.39Å; V814-V818 VanDerWaalsContact O-CG2 3.3Å; V814-V818 WeakPolarHBondContact O-CG2 3.49Å; V814-V818 PolarHBondContact O-N 3.31Å; V814-L831 HydrophobicContact CG2-CB 3.79Å; V814-L831 HydrophobicContact CG2-CD1 4.4Å; V814-L832 HydrophobicContact CG1-CD2 4.36Å; V814-L832 HydrophobicContact CG2-CD2 4.5Å; V814-A849 HydrophobicContact CG1-CB 4.17Å
815I80.4Confident73.5Confident30 Ų3080.8 Ų80.815%0.15442%0.421CS..Hα-helixtrans-61.8-40.6177.2-68.3167000111.6R811 R813 V818 R819 E852R811-I815 HydrophobicContact CG-CD1 3.96Å; R811-I815 WeakPolarHBondContact O-CG1 3.39Å; R811-I815 PolarHBondContact O-N 2.75Å; R813-I815 PolarHBondContact O-N 3.02Å; I815-V818 PolarHBondContact O-N 3.45Å; I815-R819 VanDerWaalsContact O-CG 3.32Å; I815-R819 WeakPolarHBondContact O-CG 3.28Å; I815-R819 PolarHBondContact O-N 3.37Å; I815-E852 HydrophobicContact CG2-CG 4.26Å
816K81.9Confident74.1Confident142 Ų14286.6 Ų86.662%0.61743%0.429SS*.Hα-helixtrans-63.1-41175.7-77.9172.9-178.7178.30112.5S812 R813 V814 R819 K820S812-K816 WeakPolarHBondContact O-CB 3.32Å; S812-K816 VanDerWaalsContact O-CG 3.26Å; S812-K816 WeakPolarHBondContact O-CG 3.25Å; S812-K816 PolarHBondContact O-N 3.2Å; S812-K816 VanDerWaalsContact O-N 3.1Å; R813-K816 PolarHBondContact O-N 2.95Å; V814-K816 VanDerWaalsContact C-N 3.35Å; V814-K816 PolarHBondContact O-N 3.13Å; K816-R819 PolarHBondContact O-N 3.28Å; K816-K820 PolarHBondContact O-N 2.91Å
817E79.2Confident74.7Confident49 Ų4983.8 Ų83.823%0.22941%0.411CS..Hα-helixtrans-69.1-40.7175.3-69.6-5712600112.2R813 V814 R819 K820 I828 L831R813-E817 PolarHBondContact O-N 3.19Å; V814-E817 PolarHBondContact O-N 2.76Å; E817-R819 PolarHBondContact O-N 3.07Å; E817-K820 PolarHBondContact O-N 3.2Å; E817-K820 VanDerWaalsContact O-N 3.1Å; E817-K820 VanDerWaalsContact OE1-CE 3.27Å; E817-K820 WeakPolarHBondContact OE1-CE 3.45Å; E817-K820 IonicContact OE1-NZ 3.81Å; E817-K820 PolarHBondContact OE1-NZ 2.9Å; E817-K820 IonicContact OE2-NZ 2.69Å; E817-I828 HydrophobicContact CB-CG1 3.87Å; E817-L831 HydrophobicContact CG-CD1 3.86Å
818V79.8Confident75.3Confident0 Ų081.7 Ų81.70%040%0.401CS..Hα-helixtrans-58.7-32.9173.6172.40000111.4V814 I815 I828 E852 A853 K858 L861V814-V818 HydrophobicContact CG1-CG2 4.39Å; V814-V818 VanDerWaalsContact O-CG2 3.3Å; V814-V818 WeakPolarHBondContact O-CG2 3.49Å; V814-V818 PolarHBondContact O-N 3.31Å; I815-V818 PolarHBondContact O-N 3.45Å; V818-I828 HydrophobicContact CG2-CD1 4.04Å; V818-I828 HydrophobicContact CG2-CG2 4.12Å; V818-E852 HydrophobicContact CG1-CB 4.18Å; V818-E852 HydrophobicContact CG1-CG 3.99Å; V818-A853 HydrophobicContact CG1-CB 4.14Å; V818-K858 WeakPolarHBondContact O-CE 3.44Å; V818-K858 PolarHBondContact O-NZ 3.02Å; V818-L861 HydrophobicContact CG1-CD2 4.47Å; V818-L861 HydrophobicContact CG2-CD2 4.4Å
819R78.9Confident75.6Confident135 Ų13582.4 Ų82.451%0.50940%0.399SS..Hα-helixtrans-77.2-18.5176.6-73.3176.6-178.3-174.14.5115.3I815 K816 E817 E852 F856I815-R819 VanDerWaalsContact O-CG 3.32Å; I815-R819 WeakPolarHBondContact O-CG 3.28Å; I815-R819 PolarHBondContact O-N 3.37Å; K816-R819 PolarHBondContact O-N 3.28Å; E817-R819 PolarHBondContact O-N 3.07Å; R819-E852 IonicContact CZ-OE1 2.77Å; R819-E852 IonicContact NE-OE1 3.82Å; R819-E852 PolarHBondContact NE-OE1 3.4Å; R819-E852 IonicContact NH2-OE1 3.71Å; R819-E852 PolarHBondContact NH2-OE1 3.02Å; R819-F856 HydrophobicContact CG-CD2 4.43Å; R819-F856 HydrophobicContact CG-CE2 3.62Å; R819-F856 HydrophobicContact CG-CZ 3.83Å
820K80.1Confident75.8Confident113 Ų11380 Ų8049%0.49139%0.393SS..SBendtrans-69.6140.8-179.7-76.4177.7179.61740112K816 E817 G822 K858K816-K820 PolarHBondContact O-N 2.91Å; E817-K820 PolarHBondContact O-N 3.2Å; E817-K820 VanDerWaalsContact O-N 3.1Å; E817-K820 VanDerWaalsContact OE1-CE 3.27Å; E817-K820 WeakPolarHBondContact OE1-CE 3.45Å; E817-K820 IonicContact OE1-NZ 3.81Å; E817-K820 PolarHBondContact OE1-NZ 2.9Å; E817-K820 IonicContact OE2-NZ 2.69Å; K820-G822 PolarHBondContact O-N 3.46Å; K820-K858 PolarHBondContact O-NZ 2.98Å
821P61.5Low75.8Confident135 Ų13579.9 Ų79.988%0.87739%0.392SS*.SBendtrans-72.6126.2173.729.3-32.9000110.5
822G70.5Confident75.7Confident48 Ų4877.2 Ų77.250%0.49538%0.383SS..SBendtrans159.4165.7-179.700000113.7K820K820-G822 PolarHBondContact O-N 3.46Å
823R64.5Low75.4Confident219 Ų21981.6 Ų81.683%0.82640%0.397SS*.SBendtrans-108.10.5177.4-63.9-175.8-178.1178.81114.2Y825R823-Y825 PolarHBondContact O-N 2.75Å
824N69.6Low75.3Confident149 Ų14981.3 Ų81.380%0.79740%0.401SS*.  trans-86.991.2-179.8-75-15.3000110.7
825Y75.3Confident75.1Confident32 Ų3281.7 Ų81.713%0.12540%0.403CS..THydrogen-bonded Turntrans-86.7-4.4-176.5-51.6-46.5000114.7R823 S827 I828 L829 M860 L861R823-Y825 PolarHBondContact O-N 2.75Å; Y825-S827 VanDerWaalsContact C-N 3.25Å; Y825-S827 PolarHBondContact O-N 3.21Å; Y825-I828 HydrophobicContact CD1-CD1 4.25Å; Y825-I828 WeakPolarHBondContact O-CB 3.3Å; Y825-I828 PolarHBondContact O-N 3.32Å; Y825-L829 PolarHBondContact O-N 3.35Å; Y825-L829 VanDerWaalsContact O-N 3.13Å; Y825-M860 HydrophobicContact CE2-CB 3.94Å; Y825-L861 HydrophobicContact CD1-CB 4.1Å; Y825-L861 HydrophobicContact CD1-CD1 3.98Å; Y825-L861 HydrophobicContact CD1-CD2 4.25Å; Y825-L861 HydrophobicContact CD1-CG 4.34Å; Y825-L861 HydrophobicContact CD2-CB 4.24Å; Y825-L861 HydrophobicContact CD2-CD1 4.47Å; Y825-L861 HydrophobicContact CE1-CB 4.04Å; Y825-L861 HydrophobicContact CE1-CD2 4.45Å; Y825-L861 HydrophobicContact CE2-CB 4.18Å; Y825-L861 HydrophobicContact CG-CB 4.22Å; Y825-L861 HydrophobicContact CG-CD1 3.85Å
826K73.3Confident74.1Confident181 Ų18189.1 Ų89.179%0.78743%0.434SS*.Hα-helixtrans-57-33.2-179-65.2-172.5177.6-174.40113.7S830K826-S830 PolarHBondContact O-N 3.12Å; K826-S830 PolarHBondContact O-OG 2.96Å
827S74.9Confident73.3Confident48 Ų4884.4 Ų84.434%0.33643%0.426SS..Hα-helixtrans-70.9-31.5175.953.10000113.3Y825 S830 L831Y825-S827 VanDerWaalsContact C-N 3.25Å; Y825-S827 PolarHBondContact O-N 3.21Å; S827-S830 PolarHBondContact O-OG 3.5Å; S827-L831 WeakPolarHBondContact O-CB 3.26Å; S827-L831 WeakPolarHBondContact O-CD1 3.42Å; S827-L831 VanDerWaalsContact O-CG 3.24Å; S827-L831 WeakPolarHBondContact O-CG 3.32Å; S827-L831 PolarHBondContact O-N 3.37Å
828I77.9Confident73Confident3 Ų386.5 Ų86.52%0.01544%0.444CS..Hα-helixtrans-73.2-44.4177.7-58.3171.9000109E817 V818 Y825 L831 L832 L861E817-I828 HydrophobicContact CB-CG1 3.87Å; V818-I828 HydrophobicContact CG2-CD1 4.04Å; V818-I828 HydrophobicContact CG2-CG2 4.12Å; Y825-I828 HydrophobicContact CD1-CD1 4.25Å; Y825-I828 WeakPolarHBondContact O-CB 3.3Å; Y825-I828 PolarHBondContact O-N 3.32Å; I828-L831 PolarHBondContact O-N 3.07Å; I828-L832 HydrophobicContact CG2-CD1 4.14Å; I828-L832 WeakPolarHBondContact O-CG 3.44Å; I828-L832 PolarHBondContact O-N 3.35Å; I828-L861 HydrophobicContact CD1-CD1 4.14Å; I828-L861 HydrophobicContact CD1-CD2 3.8Å; I828-L861 HydrophobicContact CG2-CD1 4.45Å
829L75.6Confident72.5Confident61 Ų6189 Ų8932%0.31946%0.459SS..Hα-helixtrans-64.4-41177.1-66172.2000112.2Y825 L831 L832 Q833 L865Y825-L829 PolarHBondContact O-N 3.35Å; Y825-L829 VanDerWaalsContact O-N 3.13Å; L829-L831 PolarHBondContact O-N 3.27Å; L829-L832 PolarHBondContact O-N 2.95Å; L829-Q833 WeakPolarHBondContact O-CB 3.32Å; L829-Q833 PolarHBondContact O-N 3.45Å; L829-L865 HydrophobicContact CD2-CD2 4.17Å
830S77.3Confident72.1Confident50 Ų5086.9 Ų86.935%0.3546%0.458SS..Hα-helixtrans-67.7-34.7176.567.20000113.1K826 S827 Q833 Q834K826-S830 PolarHBondContact O-N 3.12Å; K826-S830 PolarHBondContact O-OG 2.96Å; S827-S830 PolarHBondContact O-OG 3.5Å; S830-Q833 PolarHBondContact O-N 3.44Å; S830-Q834 WeakPolarHBondContact O-CG 3.15Å; S830-Q834 PolarHBondContact O-N 2.97Å
831L77.4Confident71.8Confident26 Ų2682.2 Ų82.214%0.13644%0.438CS..Hα-helixtrans-67.3-37.5171.9-73.6170.2000112.3L810 V814 E817 S827 I828 L829 Q833 Q834L810-L831 HydrophobicContact CD1-CD2 4.27Å; V814-L831 HydrophobicContact CG2-CB 3.79Å; V814-L831 HydrophobicContact CG2-CD1 4.4Å; E817-L831 HydrophobicContact CG-CD1 3.86Å; S827-L831 WeakPolarHBondContact O-CB 3.26Å; S827-L831 WeakPolarHBondContact O-CD1 3.42Å; S827-L831 VanDerWaalsContact O-CG 3.24Å; S827-L831 WeakPolarHBondContact O-CG 3.32Å; S827-L831 PolarHBondContact O-N 3.37Å; I828-L831 PolarHBondContact O-N 3.07Å; L829-L831 PolarHBondContact O-N 3.27Å; L831-Q833 VanDerWaalsContact C-N 3.33Å; L831-Q834 PolarHBondContact O-N 3.44Å
832L75.1Confident72.3Confident10 Ų1080.4 Ų80.45%0.05241%0.414CS..Hα-helixtrans-69.2-30.3174.4-72.4168.4000112.5V814 I828 L829 Q834 V835 F845 I846 L865V814-L832 HydrophobicContact CG1-CD2 4.36Å; V814-L832 HydrophobicContact CG2-CD2 4.5Å; I828-L832 HydrophobicContact CG2-CD1 4.14Å; I828-L832 WeakPolarHBondContact O-CG 3.44Å; I828-L832 PolarHBondContact O-N 3.35Å; L829-L832 PolarHBondContact O-N 2.95Å; L832-Q834 VanDerWaalsContact C-N 3.31Å; L832-V835 WeakPolarHBondContact O-CB 3.41Å; L832-V835 WeakPolarHBondContact O-CG2 3.48Å; L832-V835 PolarHBondContact O-N 2.87Å; L832-F845 HydrophobicContact CD2-CB 3.94Å; L832-I846 HydrophobicContact CD2-CG1 4.3Å; L832-L865 HydrophobicContact CD1-CD2 3.33Å
833Q74.4Confident72.7Confident153 Ų15379.4 Ų79.472%0.71540%0.396SS*.Hα-helixtrans-74.6-19.6173.6-160.5173.921.200113L829 S830 L831 V835L829-Q833 WeakPolarHBondContact O-CB 3.32Å; L829-Q833 PolarHBondContact O-N 3.45Å; S830-Q833 PolarHBondContact O-N 3.44Å; L831-Q833 VanDerWaalsContact C-N 3.33Å; Q833-V835 VanDerWaalsContact C-N 3.3Å
834Q74.7Confident73.4Confident119 Ų11972.4 Ų72.456%0.55637%0.37SS*.THydrogen-bonded Turntrans-80.2-6.4172.6-72170.118.300113.6S830 L831 L832 K836S830-Q834 WeakPolarHBondContact O-CG 3.15Å; S830-Q834 PolarHBondContact O-N 2.97Å; L831-Q834 PolarHBondContact O-N 3.44Å; L832-Q834 VanDerWaalsContact C-N 3.31Å; Q834-K836 PolarHBondContact O-N 2.96Å
835V73.6Confident73.9Confident12 Ų1265.6 Ų65.67%0.07333%0.334CS..  trans-69.2100.2175.4-178.80000109.6L810 L832 Q833 V841 F845L810-V835 HydrophobicContact CD2-CB 4.45Å; L810-V835 HydrophobicContact CD2-CG2 3.68Å; L832-V835 WeakPolarHBondContact O-CB 3.41Å; L832-V835 WeakPolarHBondContact O-CG2 3.48Å; L832-V835 PolarHBondContact O-N 2.87Å; Q833-V835 VanDerWaalsContact C-N 3.3Å; V835-V841 HydrophobicContact CG1-CG1 4.36Å; V835-F845 HydrophobicContact CG1-CD2 4.15Å; V835-F845 HydrophobicContact CG1-CE2 4.33Å; V835-F845 HydrophobicContact CG1-CG 4.35Å; V835-F845 HydrophobicContact CG2-CB 4.33Å; V835-F845 HydrophobicContact CG2-CD1 3.81Å; V835-F845 HydrophobicContact CG2-CE1 4.18Å; V835-F845 HydrophobicContact CG2-CG 4.02Å
836K61.1Low74.1Confident187 Ų18764.3 Ų64.381%0.81333%0.329SS*.  trans-88.4124.1169.1-66.5-173.4177.5-174.80110.2Q807 Q834Q807-K836 PolarHBondContact NE2-O 3.45Å; Q834-K836 PolarHBondContact O-N 2.96Å
837G65.4Low74.5Confident43 Ų4359 Ų5944%0.44331%0.307SS..SBendtrans167.5173.717900000111.5
838P71.4Confident74.9Confident92 Ų9259 Ų5960%0.59730%0.301SS*.  trans-62.3156.4173.827.3-34.1000111.1N840 V841 R842P838-N840 PolarHBondContact O-N 2.97Å; P838-V841 HydrophobicContact CG-CG2 3.98Å; P838-V841 WeakPolarHBondContact O-CB 3.5Å; P838-V841 PolarHBondContact O-N 3.4Å; P838-R842 PolarHBondContact O-N 3.43Å
839V68.8Low75.1Confident54 Ų5458.9 Ų58.933%0.32730%0.301SS..Hα-helixtrans-52.3-37.1-170.8-172.10000112.6V841 R842 K843 A872 T876V839-V841 VanDerWaalsContact C-N 3.31Å; V839-V841 PolarHBondContact O-N 2.83Å; V839-R842 WeakPolarHBondContact O-CB 3.38Å; V839-R842 PolarHBondContact O-N 3.49Å; V839-K843 HydrophobicContact CG1-CD 4.4Å; V839-K843 HydrophobicContact CG1-CG 4.38Å; V839-K843 WeakPolarHBondContact O-CG 3.36Å; V839-K843 PolarHBondContact O-N 3.18Å; V839-A872 VanDerWaalsContact CG1-O 3.31Å; V839-A872 WeakPolarHBondContact CG1-O 3.31Å; V839-T876 HydrophobicContact CB-CG2 4.13Å; V839-T876 HydrophobicContact CG1-CG2 3.9Å; V839-T876 HydrophobicContact CG2-CG2 4.01Å
840N70.8Confident75.4Confident90 Ų9056.8 Ų56.848%0.48129%0.29SS..Hα-helixtrans-58.8-36.5177-61.4-9.4000113.4P838 Y844P838-N840 PolarHBondContact O-N 2.97Å; N840-Y844 WeakPolarHBondContact O-CB 3.37Å; N840-Y844 PolarHBondContact O-N 3.2Å
841V74.9Confident75.8Confident14 Ų1461.8 Ų61.89%0.08531%0.306CS..Hα-helixtrans-71.3-38.7175.3176.90000110.4I800 L803 V835 P838 V839 Y844 F845I800-V841 HydrophobicContact CG2-CG2 4.2Å; L803-V841 HydrophobicContact CD2-CG1 4.18Å; V835-V841 HydrophobicContact CG1-CG1 4.36Å; P838-V841 HydrophobicContact CG-CG2 3.98Å; P838-V841 WeakPolarHBondContact O-CB 3.5Å; P838-V841 PolarHBondContact O-N 3.4Å; V839-V841 VanDerWaalsContact C-N 3.31Å; V839-V841 PolarHBondContact O-N 2.83Å; V841-Y844 WeakPolarHBondContact O-CB 3.44Å; V841-Y844 PolarHBondContact O-N 3.12Å; V841-F845 HydrophobicContact CG1-CD2 4.12Å; V841-F845 HydrophobicContact CG1-CE2 3.97Å; V841-F845 WeakPolarHBondContact O-CD2 3.44Å; V841-F845 PolarHBondContact O-N 3.48Å; V841-F845 VanDerWaalsContact O-N 3.13Å
842R71.6Confident76.1Confident98 Ų9861.4 Ų61.437%0.3730%0.303SS..Hα-helixtrans-64.6-44.3176.1-166.3174176.5-157-7.5111.3P838 V839 Y844 F845 I846P838-R842 PolarHBondContact O-N 3.43Å; V839-R842 WeakPolarHBondContact O-CB 3.38Å; V839-R842 PolarHBondContact O-N 3.49Å; R842-Y844 PolarHBondContact O-N 3.26Å; R842-F845 PolarHBondContact O-N 3.4Å; R842-I846 HydrophobicContact CG-CD1 4.27Å; R842-I846 WeakPolarHBondContact O-CG1 3.41Å; R842-I846 PolarHBondContact O-N 2.68Å; R842-I846 VanDerWaalsContact O-N 3.16Å
843K77.9Confident76.4Confident27 Ų2760.9 Ų60.912%0.11730%0.3CS..Hα-helixtrans-56.6-46.4172.1-70.2-179.5-178.31800111.7V839 F845 I846 Q847 L869 A872 E873V839-K843 HydrophobicContact CG1-CD 4.4Å; V839-K843 HydrophobicContact CG1-CG 4.38Å; V839-K843 WeakPolarHBondContact O-CG 3.36Å; V839-K843 PolarHBondContact O-N 3.18Å; K843-F845 PolarHBondContact O-N 3.17Å; K843-I846 PolarHBondContact O-N 2.88Å; K843-Q847 WeakPolarHBondContact O-CB 3.39Å; K843-Q847 WeakPolarHBondContact O-CG 2.95Å; K843-Q847 PolarHBondContact O-N 3.18Å; K843-L869 HydrophobicContact CB-CD1 4.07Å; K843-L869 HydrophobicContact CG-CD1 4.03Å; K843-A872 WeakPolarHBondContact CE-O 3.29Å; K843-E873 HydrophobicContact CD-CG 4.36Å; K843-E873 VanDerWaalsContact CE-CG 3.44Å; K843-E873 VanDerWaalsContact NZ-CG 3.31Å
844Y80.2Confident76.6Confident72 Ų7258.2 Ų58.228%0.28229%0.291SS..Hα-helixtrans-57.4-44.1177.4178.9-94.9000113.4I800 L803 R811 N840 V841 R842 H848I800-Y844 HydrophobicContact CD1-CD2 3.73Å; I800-Y844 HydrophobicContact CD1-CG 3.77Å; L803-Y844 HydrophobicContact CD1-CE1 4.32Å; R811-Y844 PolarHBondContact NH1-OH 3.35Å; R811-Y844 PolarHBondContact NH2-OH 3.33Å; N840-Y844 WeakPolarHBondContact O-CB 3.37Å; N840-Y844 PolarHBondContact O-N 3.2Å; V841-Y844 WeakPolarHBondContact O-CB 3.44Å; V841-Y844 PolarHBondContact O-N 3.12Å; R842-Y844 PolarHBondContact O-N 3.26Å; Y844-H848 WeakPolarHBondContact O-CB 2.97Å; Y844-H848 PolarHBondContact O-N 3.27Å
845F79.5Confident77Confident6 Ų661.5 Ų61.53%0.02630%0.298CS..Hα-helixtrans-64.5-41.4177-89.6-110000112.4L803 Q807 L810 R811 L832 V835 V841 R842 K843 H848 A849L803-F845 HydrophobicContact CD2-CE2 3.48Å; L803-F845 VanDerWaalsContact CD2-CE2 3.48Å; L803-F845 HydrophobicContact CD2-CZ 4.04Å; Q807-F845 HydrophobicContact CB-CZ 4.21Å; Q807-F845 WeakPolarHBondContact O-CZ 3.4Å; L810-F845 HydrophobicContact CB-CE1 4.47Å; L810-F845 HydrophobicContact CD2-CE1 4.46Å; R811-F845 HydrophobicContact CB-CD1 4.4Å; R811-F845 HydrophobicContact CB-CE1 3.63Å; R811-F845 HydrophobicContact CB-CZ 4.01Å; R811-F845 HydrophobicContact CG-CE1 4.47Å; L832-F845 HydrophobicContact CD2-CB 3.94Å; V835-F845 HydrophobicContact CG1-CD2 4.15Å; V835-F845 HydrophobicContact CG1-CE2 4.33Å; V835-F845 HydrophobicContact CG1-CG 4.35Å; V835-F845 HydrophobicContact CG2-CB 4.33Å; V835-F845 HydrophobicContact CG2-CD1 3.81Å; V835-F845 HydrophobicContact CG2-CE1 4.18Å; V835-F845 HydrophobicContact CG2-CG 4.02Å; V841-F845 HydrophobicContact CG1-CD2 4.12Å; V841-F845 HydrophobicContact CG1-CE2 3.97Å; V841-F845 WeakPolarHBondContact O-CD2 3.44Å; V841-F845 PolarHBondContact O-N 3.48Å; V841-F845 VanDerWaalsContact O-N 3.13Å; R842-F845 PolarHBondContact O-N 3.4Å; K843-F845 PolarHBondContact O-N 3.17Å; F845-H848 PolarHBondContact O-N 3.12Å; F845-A849 WeakPolarHBondContact O-CB 3.34Å; F845-A849 PolarHBondContact O-N 2.75Å
846I80.8Confident77.2Confident5 Ų565.5 Ų65.53%0.02631%0.314CS..Hα-helixtrans-66.6-48.7178.9-64.6167.3000110.2L832 R842 K843 H848 A849 I850 L865 L869L832-I846 HydrophobicContact CD2-CG1 4.3Å; R842-I846 HydrophobicContact CG-CD1 4.27Å; R842-I846 WeakPolarHBondContact O-CG1 3.41Å; R842-I846 PolarHBondContact O-N 2.68Å; R842-I846 VanDerWaalsContact O-N 3.16Å; K843-I846 PolarHBondContact O-N 2.88Å; I846-H848 VanDerWaalsContact C-N 3.31Å; I846-H848 PolarHBondContact O-N 3.15Å; I846-A849 WeakPolarHBondContact O-CB 3.47Å; I846-A849 PolarHBondContact O-N 2.87Å; I846-A849 VanDerWaalsContact O-N 3.09Å; I846-I850 HydrophobicContact CG2-CD1 3.99Å; I846-I850 WeakPolarHBondContact O-CG1 3.32Å; I846-I850 PolarHBondContact O-N 3.35Å; I846-L865 HydrophobicContact CG2-CB 4.28Å; I846-L865 VanDerWaalsContact CG2-O 3.28Å; I846-L865 WeakPolarHBondContact CG2-O 3.4Å; I846-L869 HydrophobicContact CB-CD1 4.23Å; I846-L869 HydrophobicContact CG2-CB 3.94Å; I846-L869 HydrophobicContact CG2-CD1 4.08Å
847Q81.9Confident78.2Confident69 Ų6965.1 Ų65.132%0.32231%0.313SS..Hα-helixtrans-58.7-39.4175.9-71.7178.2-5.200112.5K843 I850 K851 L869K843-Q847 WeakPolarHBondContact O-CB 3.39Å; K843-Q847 WeakPolarHBondContact O-CG 2.95Å; K843-Q847 PolarHBondContact O-N 3.18Å; Q847-I850 PolarHBondContact O-N 3.41Å; Q847-K851 WeakPolarHBondContact O-CG 3.45Å; Q847-K851 PolarHBondContact O-N 3.3Å; Q847-L869 HydrophobicContact CG-CD1 4.12Å; Q847-L869 HydrophobicContact CG-CD2 4.03Å
848H82.6Confident78.9Confident47 Ų4764.7 Ų64.722%0.21830%0.299CS..Hα-helixtrans-70.6-34.5175.8-164.3-63.1000112.6R811 Y844 F845 I846 E852R811-H848 PolarHBondContact NH2-CD2 2.95Å; R811-H848 PolarHBondContact NH2-NE2 3.2Å; Y844-H848 WeakPolarHBondContact O-CB 2.97Å; Y844-H848 PolarHBondContact O-N 3.27Å; F845-H848 PolarHBondContact O-N 3.12Å; I846-H848 VanDerWaalsContact C-N 3.31Å; I846-H848 PolarHBondContact O-N 3.15Å; H848-E852 PolarHBondContact O-N 3.18Å; H848-E852 VanDerWaalsContact O-N 3.11Å
849A81.8Confident79.2Confident2 Ų270.3 Ų70.32%0.01731%0.308CS..Hα-helixtrans-66.3-38.5172.900000111.5V814 F845 I846 E852 A853 L865V814-A849 HydrophobicContact CG1-CB 4.17Å; F845-A849 WeakPolarHBondContact O-CB 3.34Å; F845-A849 PolarHBondContact O-N 2.75Å; I846-A849 WeakPolarHBondContact O-CB 3.47Å; I846-A849 PolarHBondContact O-N 2.87Å; I846-A849 VanDerWaalsContact O-N 3.09Å; A849-E852 PolarHBondContact O-N 3.26Å; A849-A853 WeakPolarHBondContact O-CB 3.37Å; A849-A853 PolarHBondContact O-N 2.83Å; A849-L865 HydrophobicContact CB-CD1 3.87Å
850I82.2Confident79.6Confident17 Ų1774 Ų749%0.08732%0.323CS..Hα-helixtrans-62.4-50.3173.3-68.3165.5000110.9I846 Q847 E852 A853 L854 I862 L865 E866 L869I846-I850 HydrophobicContact CG2-CD1 3.99Å; I846-I850 WeakPolarHBondContact O-CG1 3.32Å; I846-I850 PolarHBondContact O-N 3.35Å; Q847-I850 PolarHBondContact O-N 3.41Å; I850-E852 VanDerWaalsContact C-N 3.31Å; I850-E852 PolarHBondContact O-N 3.11Å; I850-A853 PolarHBondContact O-N 2.95Å; I850-A853 VanDerWaalsContact O-N 3.11Å; I850-L854 HydrophobicContact CG2-CD1 3.86Å; I850-L854 HydrophobicContact CG2-CG 4.37Å; I850-L854 WeakPolarHBondContact O-CB 3.4Å; I850-L854 WeakPolarHBondContact O-CG 3.34Å; I850-L854 PolarHBondContact O-N 3.04Å; I850-I862 HydrophobicContact CG2-CG2 4.35Å; I850-L865 HydrophobicContact CD1-CB 3.93Å; I850-L865 HydrophobicContact CG1-CB 3.5Å; I850-L865 VanDerWaalsContact CG1-CB 3.5Å; I850-L865 HydrophobicContact CG1-CD1 4.04Å; I850-L865 HydrophobicContact CG1-CG 4.43Å; I850-E866 HydrophobicContact CD1-CG 4.06Å; I850-L869 HydrophobicContact CD1-CD2 4.41Å
851K85Confident80.1Confident155 Ų15569.7 Ų69.767%0.67430%0.3SS*.Hα-helixtrans-56.9-41.9177.9-76.1-179.2177.7179.60112.6Q847 R855Q847-K851 WeakPolarHBondContact O-CG 3.45Å; Q847-K851 PolarHBondContact O-N 3.3Å; K851-R855 PolarHBondContact O-N 2.97Å
852E83.9Confident80.5Confident17 Ų1769.6 Ų69.68%0.07930%0.299CS..Hα-helixtrans-71.8-39175.9-166.973.2177.700111.8I815 V818 R819 H848 A849 I850 L854 R855 F856I815-E852 HydrophobicContact CG2-CG 4.26Å; V818-E852 HydrophobicContact CG1-CB 4.18Å; V818-E852 HydrophobicContact CG1-CG 3.99Å; R819-E852 IonicContact CZ-OE1 2.77Å; R819-E852 IonicContact NE-OE1 3.82Å; R819-E852 PolarHBondContact NE-OE1 3.4Å; R819-E852 IonicContact NH2-OE1 3.71Å; R819-E852 PolarHBondContact NH2-OE1 3.02Å; H848-E852 PolarHBondContact O-N 3.18Å; H848-E852 VanDerWaalsContact O-N 3.11Å; A849-E852 PolarHBondContact O-N 3.26Å; I850-E852 VanDerWaalsContact C-N 3.31Å; I850-E852 PolarHBondContact O-N 3.11Å; E852-L854 PolarHBondContact O-N 3.44Å; E852-R855 WeakPolarHBondContact O-CB 3.41Å; E852-R855 PolarHBondContact O-N 3.29Å; E852-F856 HydrophobicContact CG-CD2 4.48Å; E852-F856 HydrophobicContact CG-CE2 4.24Å; E852-F856 VanDerWaalsContact O-CD2 3.28Å; E852-F856 WeakPolarHBondContact O-CD2 3.46Å; E852-F856 PolarHBondContact O-N 2.85Å
853A80.9Confident80.9Confident0 Ų070.5 Ų70.50%031%0.307CS..Hα-helixtrans-66.2-33.9177.400000113.2V818 A849 I850 F856 K857 K858 L861 I862V818-A853 HydrophobicContact CG1-CB 4.14Å; A849-A853 WeakPolarHBondContact O-CB 3.37Å; A849-A853 PolarHBondContact O-N 2.83Å; I850-A853 PolarHBondContact O-N 2.95Å; I850-A853 VanDerWaalsContact O-N 3.11Å; A853-F856 CarbonylContact O-C 3.55Å; A853-F856 PolarHBondContact O-N 3.22Å; A853-K857 PolarHBondContact O-N 3.44Å; A853-K858 HydrophobicContact CB-CB 4.49Å; A853-K858 PolarHBondContact O-N 3.03Å; A853-L861 HydrophobicContact CB-CD2 3.96Å; A853-L861 HydrophobicContact CB-CG 4.32Å; A853-I862 HydrophobicContact CB-CD1 4.5Å; A853-I862 HydrophobicContact CB-CG1 3.81Å
854L80.3Confident81Confident97 Ų9773.3 Ų73.351%0.50832%0.321SS..Hα-helixtrans-59.6-44.5170.7-82.1163.5000111.4I850 E852 F856 K857 I862I850-L854 HydrophobicContact CG2-CD1 3.86Å; I850-L854 HydrophobicContact CG2-CG 4.37Å; I850-L854 WeakPolarHBondContact O-CB 3.4Å; I850-L854 WeakPolarHBondContact O-CG 3.34Å; I850-L854 PolarHBondContact O-N 3.04Å; E852-L854 PolarHBondContact O-N 3.44Å; L854-F856 PolarHBondContact O-N 3.4Å; L854-K857 PolarHBondContact O-N 2.8Å; L854-I862 HydrophobicContact CB-CD1 4.46Å; L854-I862 HydrophobicContact CD2-CD1 3.76Å; L854-I862 HydrophobicContact CG-CD1 3.88Å; L854-I862 HydrophobicContact CG-CG1 4.37Å
855R81.5Confident81.1Confident188 Ų18869.9 Ų69.971%0.70931%0.308SS*.Hα-helixtrans-58.3-31.9176.5-165178.4-175.41724.5112.9K851 E852K851-R855 PolarHBondContact O-N 2.97Å; E852-R855 WeakPolarHBondContact O-CB 3.41Å; E852-R855 PolarHBondContact O-N 3.29Å
856F79.6Confident81.2Confident96 Ų9674.2 Ų74.242%0.42133%0.328SS..THydrogen-bonded Turntrans-98.912175-64-76.5000114.1R819 E852 A853 L854 K858R819-F856 HydrophobicContact CG-CD2 4.43Å; R819-F856 HydrophobicContact CG-CE2 3.62Å; R819-F856 HydrophobicContact CG-CZ 3.83Å; E852-F856 HydrophobicContact CG-CD2 4.48Å; E852-F856 HydrophobicContact CG-CE2 4.24Å; E852-F856 VanDerWaalsContact O-CD2 3.28Å; E852-F856 WeakPolarHBondContact O-CD2 3.46Å; E852-F856 PolarHBondContact O-N 2.85Å; A853-F856 CarbonylContact O-C 3.55Å; A853-F856 PolarHBondContact O-N 3.22Å; L854-F856 PolarHBondContact O-N 3.4Å; F856-K858 HydrophobicContact CB-CG 4.28Å; F856-K858 PolarHBondContact O-N 3.5Å; F856-K858 VanDerWaalsContact O-N 3.13Å
857K80.7Confident81.3Confident179 Ų17978.5 Ų78.578%0.77835%0.35SS*.THydrogen-bonded Turntrans52.430.6177.3-60.5-178177.5179.90114.7A853 L854 R859A853-K857 PolarHBondContact O-N 3.44Å; L854-K857 PolarHBondContact O-N 2.8Å; K857-R859 VanDerWaalsContact C-N 3.31Å; K857-R859 PolarHBondContact O-N 3.49Å
858K81Confident81Confident33 Ų3376.3 Ų76.314%0.14334%0.343CS..  trans-79.667-176.3-71-172.3169.8-176.40113V818 K820 A853 F856 M860 L861 I862V818-K858 WeakPolarHBondContact O-CE 3.44Å; V818-K858 PolarHBondContact O-NZ 3.02Å; K820-K858 PolarHBondContact O-NZ 2.98Å; A853-K858 HydrophobicContact CB-CB 4.49Å; A853-K858 PolarHBondContact O-N 3.03Å; F856-K858 HydrophobicContact CB-CG 4.28Å; F856-K858 PolarHBondContact O-N 3.5Å; F856-K858 VanDerWaalsContact O-N 3.13Å; K858-M860 PolarHBondContact O-N 3.26Å; K858-L861 HydrophobicContact CB-CB 4.05Å; K858-L861 HydrophobicContact CB-CD2 4.44Å; K858-L861 HydrophobicContact CD-CD2 4.06Å; K858-L861 WeakPolarHBondContact O-CB 3.32Å; K858-L861 PolarHBondContact O-N 2.94Å; K858-I862 WeakPolarHBondContact O-CG1 3.3Å; K858-I862 PolarHBondContact O-N 3.45Å; K858-I862 VanDerWaalsContact O-N 3.08Å
859R78.2Confident80.9Confident211 Ų21175.3 Ų75.380%0.79634%0.34SS*.Hα-helixtrans-46-47.9-173.5-66.4-176.3178174.1-2.3115.2K857 L861 I862 Q863K857-R859 VanDerWaalsContact C-N 3.31Å; K857-R859 PolarHBondContact O-N 3.49Å; R859-L861 VanDerWaalsContact C-N 3.34Å; R859-L861 PolarHBondContact O-N 3.02Å; R859-I862 PolarHBondContact O-N 2.64Å; R859-Q863 PolarHBondContact O-N 2.87Å; R859-Q863 VanDerWaalsContact O-N 3.08Å
860M77.3Confident80.7Confident130 Ų13077.6 Ų77.664%0.6436%0.359SS*.Hα-helixtrans-65.2-32.5179.1-72.2-63.1-138.400114.1Y825 K858 Q864Y825-M860 HydrophobicContact CE2-CB 3.94Å; K858-M860 PolarHBondContact O-N 3.26Å; M860-Q864 WeakPolarHBondContact O-CG 3.38Å; M860-Q864 PolarHBondContact O-N 3.31Å
861L80.6Confident80.2Confident0 Ų082.7 Ų82.70%038%0.382CS..Hα-helixtrans-74.6-39.1176.5174.162.7000110.6V818 Y825 I828 A853 K858 R859 Q864 L865V818-L861 HydrophobicContact CG1-CD2 4.47Å; V818-L861 HydrophobicContact CG2-CD2 4.4Å; Y825-L861 HydrophobicContact CD1-CB 4.1Å; Y825-L861 HydrophobicContact CD1-CD1 3.98Å; Y825-L861 HydrophobicContact CD1-CD2 4.25Å; Y825-L861 HydrophobicContact CD1-CG 4.34Å; Y825-L861 HydrophobicContact CD2-CB 4.24Å; Y825-L861 HydrophobicContact CD2-CD1 4.47Å; Y825-L861 HydrophobicContact CE1-CB 4.04Å; Y825-L861 HydrophobicContact CE1-CD2 4.45Å; Y825-L861 HydrophobicContact CE2-CB 4.18Å; Y825-L861 HydrophobicContact CG-CB 4.22Å; Y825-L861 HydrophobicContact CG-CD1 3.85Å; I828-L861 HydrophobicContact CD1-CD1 4.14Å; I828-L861 HydrophobicContact CD1-CD2 3.8Å; I828-L861 HydrophobicContact CG2-CD1 4.45Å; A853-L861 HydrophobicContact CB-CD2 3.96Å; A853-L861 HydrophobicContact CB-CG 4.32Å; K858-L861 HydrophobicContact CB-CB 4.05Å; K858-L861 HydrophobicContact CB-CD2 4.44Å; K858-L861 HydrophobicContact CD-CD2 4.06Å; K858-L861 WeakPolarHBondContact O-CB 3.32Å; K858-L861 PolarHBondContact O-N 2.94Å; R859-L861 VanDerWaalsContact C-N 3.34Å; R859-L861 PolarHBondContact O-N 3.02Å; L861-Q864 PolarHBondContact O-N 2.98Å; L861-L865 HydrophobicContact CD1-CD1 3.94Å; L861-L865 HydrophobicContact CD1-CG 4.04Å; L861-L865 HydrophobicContact CG-CD1 3.88Å; L861-L865 HydrophobicContact CG-CG 4.38Å; L861-L865 WeakPolarHBondContact O-CB 3.38Å; L861-L865 VanDerWaalsContact O-CG 3.26Å; L861-L865 WeakPolarHBondContact O-CG 3.21Å; L861-L865 PolarHBondContact O-N 3.01Å
862I82.4Confident79.3Confident13 Ų1375.6 Ų75.67%0.06735%0.352CS..Hα-helixtrans-59.3-51.7177.3-66.6158.9000109.6I850 A853 L854 K858 R859 Q864 L865 E866I850-I862 HydrophobicContact CG2-CG2 4.35Å; A853-I862 HydrophobicContact CB-CD1 4.5Å; A853-I862 HydrophobicContact CB-CG1 3.81Å; L854-I862 HydrophobicContact CB-CD1 4.46Å; L854-I862 HydrophobicContact CD2-CD1 3.76Å; L854-I862 HydrophobicContact CG-CD1 3.88Å; L854-I862 HydrophobicContact CG-CG1 4.37Å; K858-I862 WeakPolarHBondContact O-CG1 3.3Å; K858-I862 PolarHBondContact O-N 3.45Å; K858-I862 VanDerWaalsContact O-N 3.08Å; R859-I862 PolarHBondContact O-N 2.64Å; I862-Q864 VanDerWaalsContact C-N 3.3Å; I862-Q864 PolarHBondContact O-N 3.42Å; I862-L865 CarbonylContact O-C 3.6Å; I862-L865 PolarHBondContact O-N 3.09Å; I862-E866 VanDerWaalsContact CG2-CD 3.49Å; I862-E866 HydrophobicContact CG2-CG 4.25Å; I862-E866 WeakPolarHBondContact CG2-OE1 3.39Å; I862-E866 WeakPolarHBondContact O-CG 3.45Å; I862-E866 PolarHBondContact O-N 3.12Å
863Q81.1Confident78.4Confident116 Ų11679.2 Ų79.254%0.54237%0.369SS..Hα-helixtrans-59.3-37.2179-165.1174.120.800113.2R859 I867R859-Q863 PolarHBondContact O-N 2.87Å; R859-Q863 VanDerWaalsContact O-N 3.08Å; Q863-I867 WeakPolarHBondContact O-CD1 3.37Å; Q863-I867 VanDerWaalsContact O-CG1 3.3Å; Q863-I867 WeakPolarHBondContact O-CG1 3.3Å; Q863-I867 PolarHBondContact O-N 3.33Å
864Q79.8Confident77.5Confident87 Ų8787.3 Ų87.341%0.40741%0.407SS..Hα-helixtrans-70-34.1174.5-74.7-177-16.800113.2M860 L861 I862 A868M860-Q864 WeakPolarHBondContact O-CG 3.38Å; M860-Q864 PolarHBondContact O-N 3.31Å; L861-Q864 PolarHBondContact O-N 2.98Å; I862-Q864 VanDerWaalsContact C-N 3.3Å; I862-Q864 PolarHBondContact O-N 3.42Å; Q864-A868 WeakPolarHBondContact O-CB 3.33Å; Q864-A868 PolarHBondContact O-N 3.18Å
865L81.8Confident76.4Confident0 Ų089 Ų890%042%0.417CS..Hα-helixtrans-77.8-30.2177.5-68.8173.4000112.4L829 L832 I846 A849 I850 L861 I862 A868 L869L829-L865 HydrophobicContact CD2-CD2 4.17Å; L832-L865 HydrophobicContact CD1-CD2 3.33Å; I846-L865 HydrophobicContact CG2-CB 4.28Å; I846-L865 VanDerWaalsContact CG2-O 3.28Å; I846-L865 WeakPolarHBondContact CG2-O 3.4Å; A849-L865 HydrophobicContact CB-CD1 3.87Å; I850-L865 HydrophobicContact CD1-CB 3.93Å; I850-L865 HydrophobicContact CG1-CB 3.5Å; I850-L865 VanDerWaalsContact CG1-CB 3.5Å; I850-L865 HydrophobicContact CG1-CD1 4.04Å; I850-L865 HydrophobicContact CG1-CG 4.43Å; L861-L865 HydrophobicContact CD1-CD1 3.94Å; L861-L865 HydrophobicContact CD1-CG 4.04Å; L861-L865 HydrophobicContact CG-CD1 3.88Å; L861-L865 HydrophobicContact CG-CG 4.38Å; L861-L865 WeakPolarHBondContact O-CB 3.38Å; L861-L865 VanDerWaalsContact O-CG 3.26Å; L861-L865 WeakPolarHBondContact O-CG 3.21Å; L861-L865 PolarHBondContact O-N 3.01Å; I862-L865 CarbonylContact O-C 3.6Å; I862-L865 PolarHBondContact O-N 3.09Å; L865-A868 PolarHBondContact O-N 3.25Å; L865-L869 WeakPolarHBondContact O-CB 3.4Å; L865-L869 PolarHBondContact O-N 3.33Å
866E82.8Confident75.1Confident97 Ų9783.6 Ų83.645%0.45340%0.404SS..Hα-helixtrans-67.7-43.7173.6-73.4165.6166.600111.2I850 I862 A868 L869 A870I850-E866 HydrophobicContact CD1-CG 4.06Å; I862-E866 VanDerWaalsContact CG2-CD 3.49Å; I862-E866 HydrophobicContact CG2-CG 4.25Å; I862-E866 WeakPolarHBondContact CG2-OE1 3.39Å; I862-E866 WeakPolarHBondContact O-CG 3.45Å; I862-E866 PolarHBondContact O-N 3.12Å; E866-A868 PolarHBondContact O-N 3.4Å; E866-L869 PolarHBondContact O-N 3.43Å; E866-L869 VanDerWaalsContact O-N 3.14Å; E866-L869 WeakPolarHBondContact O-CB 3.39Å; E866-A870 PolarHBondContact O-N 3.25Å
867I82.2Confident73.4Confident94 Ų9483.4 Ų83.448%0.48242%0.421SS..Hα-helixtrans-59.7-47.3172.1-66.2164000110.4Q863 L869 A870 E871Q863-I867 WeakPolarHBondContact O-CD1 3.37Å; Q863-I867 VanDerWaalsContact O-CG1 3.3Å; Q863-I867 WeakPolarHBondContact O-CG1 3.3Å; Q863-I867 PolarHBondContact O-N 3.33Å; I867-L869 PolarHBondContact O-N 3.08Å; I867-A870 PolarHBondContact O-N 3.13Å; I867-E871 WeakPolarHBondContact O-CG 3.27Å; I867-E871 PolarHBondContact O-N 3.25Å
868A76.3Confident71.6Confident23 Ų2380.6 Ų80.619%0.1942%0.421CS..Hα-helixtrans-67.7-16.1177.600000114.2Q864 L865 E866Q864-A868 WeakPolarHBondContact O-CB 3.33Å; Q864-A868 PolarHBondContact O-N 3.18Å; L865-A868 PolarHBondContact O-N 3.25Å; E866-A868 PolarHBondContact O-N 3.4Å
869L80.5Confident69.2Low27 Ų2785.1 Ų85.114%0.14146%0.455CS..Hα-helixtrans-80.3-43.7171.6-173.166.1000110.6K843 I846 Q847 I850 L865 E866 I867 A872 E873K843-L869 HydrophobicContact CB-CD1 4.07Å; K843-L869 HydrophobicContact CG-CD1 4.03Å; I846-L869 HydrophobicContact CB-CD1 4.23Å; I846-L869 HydrophobicContact CG2-CB 3.94Å; I846-L869 HydrophobicContact CG2-CD1 4.08Å; Q847-L869 HydrophobicContact CG-CD1 4.12Å; Q847-L869 HydrophobicContact CG-CD2 4.03Å; I850-L869 HydrophobicContact CD1-CD2 4.41Å; L865-L869 WeakPolarHBondContact O-CB 3.4Å; L865-L869 PolarHBondContact O-N 3.33Å; E866-L869 PolarHBondContact O-N 3.43Å; E866-L869 VanDerWaalsContact O-N 3.14Å; E866-L869 WeakPolarHBondContact O-CB 3.39Å; I867-L869 PolarHBondContact O-N 3.08Å; L869-A872 CarbonylContact O-C 3.49Å; L869-A872 PolarHBondContact O-N 3.35Å; L869-E873 PolarHBondContact O-N 3.2Å
870A76.1Confident67.5Low50 Ų5080.1 Ų80.141%0.41345%0.452SS..Hα-helixtrans-64.6-42.8176.700000112.4E866 I867 A872 E873 E874E866-A870 PolarHBondContact O-N 3.25Å; I867-A870 PolarHBondContact O-N 3.13Å; A870-A872 PolarHBondContact O-N 2.93Å; A870-E873 WeakPolarHBondContact O-CA 3.49Å; A870-E873 WeakPolarHBondContact O-CB 3.3Å; A870-E873 PolarHBondContact O-N 3.46Å; A870-E874 PolarHBondContact O-N 3.21Å
871E72.6Confident65.8Low124 Ų12479.9 Ų79.958%0.57946%0.46SS*.Hα-helixtrans-57.3-35172-71.7174.6177.600111.9I867 E873I867-E871 WeakPolarHBondContact O-CG 3.27Å; I867-E871 PolarHBondContact O-N 3.25Å; E871-E873 VanDerWaalsContact C-N 3.25Å; E871-E873 PolarHBondContact O-N 3.07Å
872A66.8Low63.5Low5 Ų587.9 Ų87.94%0.04150%0.502CS..Hα-helixtrans-80.70.1176.300000114V839 K843 L869 A870V839-A872 VanDerWaalsContact CG1-O 3.31Å; V839-A872 WeakPolarHBondContact CG1-O 3.31Å; K843-A872 WeakPolarHBondContact CE-O 3.29Å; L869-A872 CarbonylContact O-C 3.49Å; L869-A872 PolarHBondContact O-N 3.35Å; A870-A872 PolarHBondContact O-N 2.93Å
873E65Low61.9Low93 Ų9392.3 Ų92.344%0.43553%0.532SS..Hα-helixtrans-97.6-39.7173.7-78.2173.4174.900111.8K843 L869 A870 E871 D875 T876K843-E873 HydrophobicContact CD-CG 4.36Å; K843-E873 VanDerWaalsContact CE-CG 3.44Å; K843-E873 VanDerWaalsContact NZ-CG 3.31Å; L869-E873 PolarHBondContact O-N 3.2Å; A870-E873 WeakPolarHBondContact O-CA 3.49Å; A870-E873 WeakPolarHBondContact O-CB 3.3Å; A870-E873 PolarHBondContact O-N 3.46Å; E871-E873 VanDerWaalsContact C-N 3.25Å; E871-E873 PolarHBondContact O-N 3.07Å; E873-D875 VanDerWaalsContact C-N 3.32Å; E873-D875 PolarHBondContact O-N 2.85Å; E873-T876 PolarHBondContact O-N 2.88Å; E873-T876 PolarHBondContact O-OG1 3.48Å
874E61.6Low59.6Low170 Ų17094.8 Ų94.879%0.79455%0.549SS*.Hα-helixtrans-64.1-32.4178.7-65.1-171.1150.700113.4A870 T876A870-E874 PolarHBondContact O-N 3.21Å; E874-T876 PolarHBondContact O-N 3.23Å
875D57.1Low57.7Low134 Ų13498 Ų9872%0.71757%0.569SS**THydrogen-bonded Turntrans-63.1-0.2177.6-92.4-13.8000115.2E873E873-D875 VanDerWaalsContact C-N 3.32Å; E873-D875 PolarHBondContact O-N 2.85Å
876T53.4Low55.7Low73 Ų73107.1 Ų107.145%0.44861%0.611SS.*THydrogen-bonded Turntrans-109.89.3-170.152.60000117.4V839 E873 E874V839-T876 HydrophobicContact CB-CG2 4.13Å; V839-T876 HydrophobicContact CG1-CG2 3.9Å; V839-T876 HydrophobicContact CG2-CG2 4.01Å; E873-T876 PolarHBondContact O-N 2.88Å; E873-T876 PolarHBondContact O-OG1 3.48Å; E874-T876 PolarHBondContact O-N 3.23Å
877A44.6Very low53.6Low93 Ų93106 Ų10677%0.76963%0.625SS**  trans-105113.3-179.500000114.5
878P42Very low51.2Low119 Ų119117.2 Ų117.277%0.77366%0.662SS**  trans-142.2134.3143.635.2-19.8000116
879C31.7Very low49.9Very low129 Ų129121.9 Ų121.987%0.87269%0.685SS**  trans53.3140.9145.2-133.90000122.9
880S42Very low48.3Very low105 Ų105126.9 Ų126.973%0.73471%0.714SS**PPolyproline II helixtrans-80.6153.1-177.548.10000115.2
881P41.3Very low46.8Very low125 Ų125131.2 Ų131.281%0.81273%0.731SS**PPolyproline II helixtrans-93.5150.3164.534.8-30.3000113.2
882L32.1Very low45.3Very low168 Ų168131.6 Ų131.688%0.8874%0.74SS**PPolyproline II helixtrans-75.5157173.4-73.6156.3000112.2
883P48.2Very low43.9Very low107 Ų107139.5 Ų139.570%0.69578%0.783SS**PPolyproline II helixtrans-86.9151.117136.1-33.4000112
884N34.2Very low42.5Very low168 Ų168142.6 Ų142.690%0.89881%0.806SS**  trans-169.3128.5131.9-102.3-11.2000110.8
885D38.6Very low41.1Very low155 Ų155140.6 Ų140.683%0.82981%0.807SS**  trans-121.1159.1158.4-1664.3000107.4
886H39.7Very low39.9Very low190 Ų190141.2 Ų141.288%0.8881%0.814SS**  trans-83.7142.8-174.1-75.1-74.2000113
887G39.9Very low38.8Very low73 Ų73146.8 Ų146.875%0.75385%0.845SS**  trans138.1103.6143.600000118.1
888R31.2Very low38.3Very low330 Ų330151.7 Ų151.7100%1.24585%0.852SS**  trans750172-71.1-172171-171.8-1.9117.6

Retrieved 888 of 888 residues in 989.4 ms (Link to these results)

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