A0A077ZGW5_TRITR Loading...

MgtC domain containing protein

AlphaFold DB (P0AFV2), UniProt , Accession A0A077ZGW5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 215 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
1M80.6Confident95.2Very high169 Ų16976.8 Ų76.883%0.83341%0.414SS*.  0-620-159.4-175.7-71.100111.5A3 E4 F5M1-A3 PolarHBondContact O-N 3.47Å; M1-E4 WeakPolarHBondContact O-CB 3.39Å; M1-E4 PolarHBondContact O-N 2.78Å; M1-E4 VanDerWaalsContact O-N 3.13Å; M1-F5 HydrophobicContact CG-CD2 4.43Å; M1-F5 HydrophobicContact CG-CE2 3.62Å; M1-F5 HydrophobicContact CG-CZ 3.67Å; M1-F5 PolarHBondContact O-N 2.93Å; M1-F5 HydrophobicContact SD-CE2 4.04Å; M1-F5 HydrophobicContact SD-CZ 4.17Å
2T91.2Very high95.4Very high104 Ų10470.4 Ų70.464%0.63838%0.379SS*.Hα-helixtrans-58.2-41.7-176.9-42.70000114.5E4 F5 I6T2-E4 VanDerWaalsContact C-N 3.28Å; T2-E4 PolarHBondContact O-N 3.43Å; T2-F5 PolarHBondContact O-N 3.49Å; T2-I6 HydrophobicContact CG2-CD1 4.27Å; T2-I6 WeakPolarHBondContact O-CG1 3.49Å; T2-I6 PolarHBondContact O-N 3.36Å
3A94.5Very high95.7Very high67 Ų6766.6 Ų66.655%0.55436%0.363SS*.Hα-helixtrans-59.5-37.9178.100000112.8M1 I6 I7M1-A3 PolarHBondContact O-N 3.47Å; A3-I6 PolarHBondContact O-N 3.22Å; A3-I7 WeakPolarHBondContact O-CG1 3.46Å; A3-I7 PolarHBondContact O-N 3.3Å
4E95.5Very high95.9Very high85 Ų8569.7 Ų69.740%0.39738%0.378SS..Hα-helixtrans-67.5-39.4178-169.9-175.8169.700111.5M1 T2 I7 R8M1-E4 WeakPolarHBondContact O-CB 3.39Å; M1-E4 PolarHBondContact O-N 2.78Å; M1-E4 VanDerWaalsContact O-N 3.13Å; T2-E4 VanDerWaalsContact C-N 3.28Å; T2-E4 PolarHBondContact O-N 3.43Å; E4-I7 PolarHBondContact O-N 3.47Å; E4-R8 WeakPolarHBondContact O-CG 3.4Å; E4-R8 PolarHBondContact O-N 3.16Å; E4-R8 IonicContact OE1-CZ 3.75Å; E4-R8 IonicContact OE1-NE 3.2Å; E4-R8 IonicContact OE1-NH2 2.61Å; E4-R8 PolarHBondContact OE1-NH2 3.33Å
5F97Very high96.1Very high36 Ų3666.1 Ų66.116%0.15836%0.361CS..Hα-helixtrans-64.8-40.4174.9-61.4-25.3000111.9M1 T2 I7 R8 L9 I47 Y51M1-F5 HydrophobicContact CG-CD2 4.43Å; M1-F5 HydrophobicContact CG-CE2 3.62Å; M1-F5 HydrophobicContact CG-CZ 3.67Å; M1-F5 PolarHBondContact O-N 2.93Å; M1-F5 HydrophobicContact SD-CE2 4.04Å; M1-F5 HydrophobicContact SD-CZ 4.17Å; T2-F5 PolarHBondContact O-N 3.49Å; F5-I7 VanDerWaalsContact C-N 3.34Å; F5-I7 PolarHBondContact O-N 3.37Å; F5-R8 WeakPolarHBondContact O-CB 3.45Å; F5-R8 PolarHBondContact O-N 2.93Å; F5-L9 WeakPolarHBondContact O-CG 3.24Å; F5-L9 PolarHBondContact O-N 3.36Å; F5-I47 HydrophobicContact CB-CD1 4.16Å; F5-I47 HydrophobicContact CB-CG2 4.47Å; F5-I47 HydrophobicContact CD1-CD1 4.35Å; F5-I47 HydrophobicContact CD1-CG1 4.29Å; F5-I47 HydrophobicContact CD1-CG2 3.82Å; F5-I47 HydrophobicContact CD2-CG2 3.96Å; F5-I47 HydrophobicContact CE1-CG2 3.97Å; F5-I47 HydrophobicContact CE2-CG2 4.09Å; F5-I47 HydrophobicContact CG-CD1 4.45Å; F5-I47 HydrophobicContact CG-CG2 3.83Å; F5-I47 HydrophobicContact CZ-CG2 4.1Å; F5-Y51 HydrophobicContact CE1-CD1 4.48Å; F5-Y51 AromaticContact CE1-CD2 3.78Å; F5-Y51 HydrophobicContact CE1-CD2 3.78Å; F5-Y51 HydrophobicContact CE1-CE2 4.18Å; F5-Y51 AromaticContact CE1-CG 3.96Å; F5-Y51 HydrophobicContact CE1-CG 3.96Å; F5-Y51 HydrophobicContact CZ-CD1 4.37Å; F5-Y51 HydrophobicContact CZ-CD2 4.03Å; F5-Y51 AromaticContact CZ-CG 3.79Å; F5-Y51 HydrophobicContact CZ-CG 3.79Å
6I97.6Very high96.2Very high92 Ų9261.9 Ų61.947%0.47234%0.338SS..Hα-helixtrans-61.2-43.8174.6-66168.7000110.7T2 A3 R8 L9 I10T2-I6 HydrophobicContact CG2-CD1 4.27Å; T2-I6 WeakPolarHBondContact O-CG1 3.49Å; T2-I6 PolarHBondContact O-N 3.36Å; A3-I6 PolarHBondContact O-N 3.22Å; I6-R8 VanDerWaalsContact C-N 3.33Å; I6-R8 PolarHBondContact O-N 3.16Å; I6-L9 PolarHBondContact O-N 3.17Å; I6-I10 HydrophobicContact CG2-CD1 3.83Å; I6-I10 HydrophobicContact CG2-CG1 4.45Å; I6-I10 WeakPolarHBondContact O-CG1 3.34Å; I6-I10 PolarHBondContact O-N 3.18Å
7I97.6Very high96.3Very high92 Ų9258.6 Ų58.647%0.47232%0.322SS..Hα-helixtrans-59.5-43.8176.2-69.7165.7000111A3 E4 F5 L9 I10 L11A3-I7 WeakPolarHBondContact O-CG1 3.46Å; A3-I7 PolarHBondContact O-N 3.3Å; E4-I7 PolarHBondContact O-N 3.47Å; F5-I7 VanDerWaalsContact C-N 3.34Å; F5-I7 PolarHBondContact O-N 3.37Å; I7-L9 VanDerWaalsContact C-N 3.32Å; I7-L9 PolarHBondContact O-N 3.03Å; I7-I10 PolarHBondContact O-N 2.54Å; I7-L11 HydrophobicContact CG2-CD1 3.84Å; I7-L11 HydrophobicContact CG2-CG 4.24Å; I7-L11 WeakPolarHBondContact O-CB 3.39Å; I7-L11 WeakPolarHBondContact O-CG 3.26Å; I7-L11 PolarHBondContact O-N 3.37Å
8R98Very high96.4Very high7 Ų757.8 Ų57.83%0.02632%0.324CS..Hα-helixtrans-59.4-41.5176.1-71.2170.2-174.7-1709.4112.4E4 F5 I6 L11 A12 I47 Y51 I111 G112 Y116E4-R8 WeakPolarHBondContact O-CG 3.4Å; E4-R8 PolarHBondContact O-N 3.16Å; E4-R8 IonicContact OE1-CZ 3.75Å; E4-R8 IonicContact OE1-NE 3.2Å; E4-R8 IonicContact OE1-NH2 2.61Å; E4-R8 PolarHBondContact OE1-NH2 3.33Å; F5-R8 WeakPolarHBondContact O-CB 3.45Å; F5-R8 PolarHBondContact O-N 2.93Å; I6-R8 VanDerWaalsContact C-N 3.33Å; I6-R8 PolarHBondContact O-N 3.16Å; R8-L11 PolarHBondContact O-N 3.29Å; R8-A12 VanDerWaalsContact O-CB 3.3Å; R8-A12 WeakPolarHBondContact O-CB 3.44Å; R8-A12 PolarHBondContact O-N 2.99Å; R8-I47 HydrophobicContact CB-CD1 4.22Å; R8-Y51 PolarHBondContact NH1-OH 3.35Å; R8-Y51 PolarHBondContact NH2-OH 3.47Å; R8-Y51 VanDerWaalsContact NH2-OH 3.15Å; R8-I111 HydrophobicContact CB-CG2 4.44Å; R8-I111 WeakPolarHBondContact CG-O 3.3Å; R8-I111 VanDerWaalsContact O-CG2 3.26Å; R8-I111 WeakPolarHBondContact O-CG2 3.23Å; R8-G112 WeakPolarHBondContact CD-O 3.39Å; R8-G112 PolarHBondContact NH1-O 2.82Å; R8-Y116 HydrophobicContact CG-CE1 3.63Å; R8-Y116 WeakPolarHBondContact CG-OH 3.31Å; R8-Y116 PolarHBondContact NE-OH 3.28Å; R8-Y116 VanDerWaalsContact NE-OH 3.11Å
9L98.3Very high96.5Very high40 Ų4054.7 Ų54.721%0.20931%0.307CS..Hα-helixtrans-66.9-42178-63.9177.4000112F5 I6 I7 A12 A13 A43 L44 I47F5-L9 WeakPolarHBondContact O-CG 3.24Å; F5-L9 PolarHBondContact O-N 3.36Å; I6-L9 PolarHBondContact O-N 3.17Å; I7-L9 VanDerWaalsContact C-N 3.32Å; I7-L9 PolarHBondContact O-N 3.03Å; L9-A12 PolarHBondContact O-N 3.1Å; L9-A13 WeakPolarHBondContact O-CB 3.5Å; L9-A13 PolarHBondContact O-N 3.38Å; L9-A43 HydrophobicContact CD2-CB 3.86Å; L9-L44 HydrophobicContact CD1-CD2 3.69Å; L9-L44 HydrophobicContact CD1-CG 4.37Å; L9-L44 HydrophobicContact CD2-CD2 3.72Å; L9-L44 HydrophobicContact CD2-CG 3.62Å; L9-L44 HydrophobicContact CG-CD2 4.32Å; L9-I47 HydrophobicContact CD2-CD1 4.11Å; L9-I47 HydrophobicContact CG-CD1 4.38Å
10I98.2Very high96.6Very high92 Ų9252 Ų5247%0.47229%0.291SS..Hα-helixtrans-63.9-46176-66.9168.7000110.4I6 I7 A12 A13 I14I6-I10 HydrophobicContact CG2-CD1 3.83Å; I6-I10 HydrophobicContact CG2-CG1 4.45Å; I6-I10 WeakPolarHBondContact O-CG1 3.34Å; I6-I10 PolarHBondContact O-N 3.18Å; I7-I10 PolarHBondContact O-N 2.54Å; I10-A12 PolarHBondContact O-N 2.8Å; I10-A13 WeakPolarHBondContact O-CB 3.42Å; I10-A13 PolarHBondContact O-N 3.12Å; I10-I14 HydrophobicContact CG2-CD1 3.78Å; I10-I14 HydrophobicContact CG2-CG1 4.45Å; I10-I14 VanDerWaalsContact O-CG1 3.32Å; I10-I14 WeakPolarHBondContact O-CG1 3.36Å; I10-I14 PolarHBondContact O-N 3.35Å
11L98.2Very high96.6Very high61 Ų6154.3 Ų54.332%0.31930%0.301SS..Hα-helixtrans-62.4-42.2177.3-73.6175.6000111.8I7 R8 A13 I14 A15 I111 Y116I7-L11 HydrophobicContact CG2-CD1 3.84Å; I7-L11 HydrophobicContact CG2-CG 4.24Å; I7-L11 WeakPolarHBondContact O-CB 3.39Å; I7-L11 WeakPolarHBondContact O-CG 3.26Å; I7-L11 PolarHBondContact O-N 3.37Å; R8-L11 PolarHBondContact O-N 3.29Å; L11-A13 VanDerWaalsContact C-N 3.34Å; L11-A13 PolarHBondContact O-N 3.13Å; L11-I14 PolarHBondContact O-N 2.82Å; L11-A15 WeakPolarHBondContact O-CB 3.02Å; L11-A15 PolarHBondContact O-N 2.98Å; L11-I111 HydrophobicContact CB-CG2 3.81Å; L11-Y116 HydrophobicContact CD1-CD1 3.69Å; L11-Y116 HydrophobicContact CD1-CE1 3.82Å
12A98.6Very high97.3Very high0 Ų047.3 Ų47.30%027%0.266CS..Hα-helixtrans-62.4-42.1175.200000111.5R8 L9 I10 C16 A43 I111R8-A12 VanDerWaalsContact O-CB 3.3Å; R8-A12 WeakPolarHBondContact O-CB 3.44Å; R8-A12 PolarHBondContact O-N 2.99Å; L9-A12 PolarHBondContact O-N 3.1Å; I10-A12 PolarHBondContact O-N 2.8Å; A12-C16 WeakPolarHBondContact O-CB 3.39Å; A12-C16 PolarHBondContact O-N 2.97Å; A12-C16 PolarHBondContact O-SG 2.92Å; A12-A43 HydrophobicContact CB-CB 3.79Å; A12-I111 HydrophobicContact CB-CB 4.32Å; A12-I111 HydrophobicContact CB-CD1 4.45Å; A12-I111 HydrophobicContact CB-CG2 4.11Å
13A98.5Very high97.5Very high21 Ų2143 Ų4317%0.17424%0.238CC..Hα-helixtrans-61.8-43.9175.900000112.2L9 I10 L11 G17 V36 M40L9-A13 WeakPolarHBondContact O-CB 3.5Å; L9-A13 PolarHBondContact O-N 3.38Å; I10-A13 WeakPolarHBondContact O-CB 3.42Å; I10-A13 PolarHBondContact O-N 3.12Å; L11-A13 VanDerWaalsContact C-N 3.34Å; L11-A13 PolarHBondContact O-N 3.13Å; A13-G17 VanDerWaalsContact O-CA 3.24Å; A13-G17 WeakPolarHBondContact O-CA 3.24Å; A13-G17 PolarHBondContact O-N 3.17Å; A13-V36 HydrophobicContact CB-CG1 4.05Å; A13-M40 HydrophobicContact CB-CG 3.75Å; A13-M40 HydrophobicContact CB-SD 3.82Å
14I98.5Very high97.5Very high110 Ų11045.2 Ų45.256%0.56424%0.237SC*.Hα-helixtrans-67-50.6178.8-68167.2000110.5I10 L11 G17 A18I10-I14 HydrophobicContact CG2-CD1 3.78Å; I10-I14 HydrophobicContact CG2-CG1 4.45Å; I10-I14 VanDerWaalsContact O-CG1 3.32Å; I10-I14 WeakPolarHBondContact O-CG1 3.36Å; I10-I14 PolarHBondContact O-N 3.35Å; L11-I14 PolarHBondContact O-N 2.82Å; I14-G17 PolarHBondContact O-N 3.03Å; I14-A18 PolarHBondContact O-N 2.99Å
15A98.5Very high97.4Very high15 Ų1548.6 Ų48.612%0.12426%0.255CS..Hα-helixtrans-61.5-51.2-177.100000112.1L11 G17 A18 I107 I111 S123L11-A15 WeakPolarHBondContact O-CB 3.02Å; L11-A15 PolarHBondContact O-N 2.98Å; A15-G17 VanDerWaalsContact C-N 3.33Å; A15-A18 PolarHBondContact O-N 3.22Å; A15-I107 HydrophobicContact CB-CG2 4.21Å; A15-I111 HydrophobicContact CB-CD1 3.64Å; A15-S123 WeakPolarHBondContact CB-OG 3.39Å
16C98.5Very high97Very high0 Ų049.6 Ų49.60%026%0.258CS..Hα-helixtrans-70.9-32.7177.6-60.10000111.3A12 A18 I19 G20 H35 G39 T104A12-C16 WeakPolarHBondContact O-CB 3.39Å; A12-C16 PolarHBondContact O-N 2.97Å; A12-C16 PolarHBondContact O-SG 2.92Å; C16-A18 VanDerWaalsContact C-N 3.35Å; C16-A18 PolarHBondContact O-N 2.79Å; C16-I19 WeakPolarHBondContact O-CB 3.44Å; C16-I19 PolarHBondContact O-N 3.44Å; C16-G20 PolarHBondContact O-N 3.28Å; C16-H35 WeakPolarHBondContact CB-O 3.24Å; C16-H35 WeakPolarHBondContact O-CB 3.46Å; C16-G39 WeakPolarHBondContact SG-CA 3.39Å; C16-T104 HydrophobicContact CB-CG2 3.64Å
17G98.3Very high96.6Very high6 Ų648.6 Ų48.66%0.06227%0.27CS..Hα-helixtrans-63.3-37.9174.800000112.9A13 I14 A15 I19 G20 M21 L32A13-G17 VanDerWaalsContact O-CA 3.24Å; A13-G17 WeakPolarHBondContact O-CA 3.24Å; A13-G17 PolarHBondContact O-N 3.17Å; I14-G17 PolarHBondContact O-N 3.03Å; A15-G17 VanDerWaalsContact C-N 3.33Å; G17-I19 VanDerWaalsContact C-N 3.32Å; G17-I19 PolarHBondContact O-N 3.39Å; G17-G20 PolarHBondContact O-N 3.31Å; G17-M21 WeakPolarHBondContact O-CB 3.48Å; G17-M21 PolarHBondContact O-N 3Å; G17-L32 WeakPolarHBondContact O-CD1 3.47Å
18A98.2Very high96.2Very high43 Ų4349.3 Ų49.336%0.35527%0.27SS..Hα-helixtrans-60.5-42.6174.500000111.7I14 A15 C16 M21 E22 L127I14-A18 PolarHBondContact O-N 2.99Å; A15-A18 PolarHBondContact O-N 3.22Å; C16-A18 VanDerWaalsContact C-N 3.35Å; C16-A18 PolarHBondContact O-N 2.79Å; A18-M21 PolarHBondContact O-N 3.39Å; A18-E22 PolarHBondContact O-N 2.84Å; A18-L127 HydrophobicContact CB-CD1 4.2Å
19I98.1Very high95.7Very high0 Ų050.9 Ų50.90%029%0.288CS..Hα-helixtrans-61.5-52.9173.3-61.1166.9000109.8C16 G17 M21 E22 R23 D100 I107 T126 L127 L130C16-I19 WeakPolarHBondContact O-CB 3.44Å; C16-I19 PolarHBondContact O-N 3.44Å; G17-I19 VanDerWaalsContact C-N 3.32Å; G17-I19 PolarHBondContact O-N 3.39Å; I19-M21 PolarHBondContact O-N 3.23Å; I19-E22 WeakPolarHBondContact O-CB 3.5Å; I19-E22 PolarHBondContact O-N 3.39Å; I19-E22 VanDerWaalsContact O-N 3.11Å; I19-R23 WeakPolarHBondContact O-CG 3.39Å; I19-R23 PolarHBondContact O-N 2.94Å; I19-R23 VanDerWaalsContact O-N 3.07Å; I19-D100 WeakPolarHBondContact CG2-OD1 3.41Å; I19-I107 HydrophobicContact CD1-CD1 3.48Å; I19-I107 VanDerWaalsContact CD1-CD1 3.48Å; I19-T126 HydrophobicContact CD1-CG2 3.85Å; I19-T126 HydrophobicContact CG1-CG2 4.19Å; I19-T126 HydrophobicContact CG2-CG2 4.23Å; I19-L127 HydrophobicContact CG1-CD2 4.2Å; I19-L127 HydrophobicContact CG1-CG 4.2Å; I19-L130 HydrophobicContact CG2-CD1 4.01Å
20G97.5Very high95.3Very high0 Ų049.7 Ų49.70%028%0.284CS..Hα-helixtrans-62.8-28.3-179.800000114.6C16 G17 Q24 G31 L32 H35C16-G20 PolarHBondContact O-N 3.28Å; G17-G20 PolarHBondContact O-N 3.31Å; G20-Q24 VanDerWaalsContact O-CB 3.32Å; G20-Q24 WeakPolarHBondContact O-CB 3.5Å; G20-Q24 PolarHBondContact O-N 2.85Å; G20-G31 CarbonylContact O-C 3.4Å; G20-L32 PolarHBondContact O-N 3.09Å; G20-L32 VanDerWaalsContact O-N 3.14Å; G20-H35 WeakPolarHBondContact CA-ND1 3.25Å
21M97.4Very high95.1Very high100 Ų10046.1 Ų46.149%0.49327%0.269SS..Hα-helixtrans-66.8-46.5173.7-175.1176.7-70.300110.8G17 A18 I19 R23 Q24 M25 L32G17-M21 WeakPolarHBondContact O-CB 3.48Å; G17-M21 PolarHBondContact O-N 3Å; A18-M21 PolarHBondContact O-N 3.39Å; I19-M21 PolarHBondContact O-N 3.23Å; M21-R23 VanDerWaalsContact C-N 3.31Å; M21-R23 PolarHBondContact O-N 3.47Å; M21-Q24 PolarHBondContact O-N 2.85Å; M21-M25 HydrophobicContact CG-CG 4.42Å; M21-M25 HydrophobicContact CG-SD 3.94Å; M21-M25 WeakPolarHBondContact O-CB 3.32Å; M21-M25 VanDerWaalsContact O-CG 3.26Å; M21-M25 WeakPolarHBondContact O-CG 3.48Å; M21-M25 PolarHBondContact O-N 3.17Å; M21-L32 HydrophobicContact CB-CD1 4.36Å
22E95.6Very high95Very high22 Ų2245.9 Ų45.910%0.10327%0.268CS..Hα-helixtrans-55.5-48173.5-172.4-87.3-174.600110.8A18 I19 Q24 M25 R26 L127 L130A18-E22 PolarHBondContact O-N 2.84Å; I19-E22 WeakPolarHBondContact O-CB 3.5Å; I19-E22 PolarHBondContact O-N 3.39Å; I19-E22 VanDerWaalsContact O-N 3.11Å; E22-Q24 VanDerWaalsContact C-N 3.34Å; E22-Q24 PolarHBondContact O-N 2.81Å; E22-M25 PolarHBondContact O-N 2.86Å; E22-R26 WeakPolarHBondContact O-CG 3.34Å; E22-R26 PolarHBondContact O-N 2.87Å; E22-R26 VanDerWaalsContact OE1-CD 3.29Å; E22-R26 WeakPolarHBondContact OE1-CD 3.42Å; E22-R26 IonicContact OE1-CZ 3.93Å; E22-R26 IonicContact OE1-NE 3.49Å; E22-R26 PolarHBondContact OE1-NE 2.75Å; E22-R26 IonicContact OE1-NH2 2.68Å; E22-R26 PolarHBondContact OE1-NH2 2.79Å; E22-L127 HydrophobicContact CB-CD2 3.98Å; E22-L127 HydrophobicContact CG-CD2 4.38Å; E22-L130 WeakPolarHBondContact OE1-CB 3.47Å
23R94.8Very high94.9Very high13 Ų1355.8 Ų55.85%0.04931%0.306CS..Hα-helixtrans-60.6-44.2179.7-59.5-57.6-69.6169.5-7.9112.2I19 M21 R26 G27 K28 A30 T97 D100I19-R23 WeakPolarHBondContact O-CG 3.39Å; I19-R23 PolarHBondContact O-N 2.94Å; I19-R23 VanDerWaalsContact O-N 3.07Å; M21-R23 VanDerWaalsContact C-N 3.31Å; M21-R23 PolarHBondContact O-N 3.47Å; R23-R26 PolarHBondContact O-N 2.85Å; R23-G27 PolarHBondContact O-N 2.84Å; R23-K28 VanDerWaalsContact CZ-CB 3.47Å; R23-K28 PolarHBondContact O-N 3.13Å; R23-A30 VanDerWaalsContact CB-O 3.31Å; R23-A30 WeakPolarHBondContact CB-O 3.42Å; R23-T97 PolarHBondContact NH2-OG1 3.48Å; R23-D100 WeakPolarHBondContact CD-OD2 3.12Å; R23-D100 WeakPolarHBondContact CG-OD2 3.49Å; R23-D100 IonicContact CZ-OD2 3.29Å; R23-D100 IonicContact NE-OD2 3.51Å; R23-D100 PolarHBondContact NE-OD2 3.02Å
24Q95.4Very high94.8Very high114 Ų11457.4 Ų57.453%0.53331%0.314SS..Hα-helixtrans-66.3-43.7179.2-176.8168.8-32.600111.7G20 M21 E22 R26 G27 L32G20-Q24 VanDerWaalsContact O-CB 3.32Å; G20-Q24 WeakPolarHBondContact O-CB 3.5Å; G20-Q24 PolarHBondContact O-N 2.85Å; M21-Q24 PolarHBondContact O-N 2.85Å; E22-Q24 VanDerWaalsContact C-N 3.34Å; E22-Q24 PolarHBondContact O-N 2.81Å; Q24-R26 PolarHBondContact O-N 2.79Å; Q24-G27 PolarHBondContact O-N 2.74Å; Q24-G27 VanDerWaalsContact O-N 3.12Å; Q24-L32 VanDerWaalsContact OE1-CB 3.27Å
25M92.5Very high94.8Very high156 Ų15652.2 Ų52.277%0.76829%0.287SS*.Hα-helixtrans-62.4-32.4176.7-72.3174.767.200112.1M21 E22 G27M21-M25 HydrophobicContact CG-CG 4.42Å; M21-M25 HydrophobicContact CG-SD 3.94Å; M21-M25 WeakPolarHBondContact O-CB 3.32Å; M21-M25 VanDerWaalsContact O-CG 3.26Å; M21-M25 WeakPolarHBondContact O-CG 3.48Å; M21-M25 PolarHBondContact O-N 3.17Å; E22-M25 PolarHBondContact O-N 2.86Å; M25-G27 VanDerWaalsContact C-N 3.31Å
26R88.7Confident94.8Very high58 Ų5853.1 Ų53.122%0.21929%0.291CS..THydrogen-bonded Turntrans-86.45.8176.8-66.5-165.4-168.8-73.86.1114.7E22 R23 Q24 K28 E131 H134E22-R26 WeakPolarHBondContact O-CG 3.34Å; E22-R26 PolarHBondContact O-N 2.87Å; E22-R26 VanDerWaalsContact OE1-CD 3.29Å; E22-R26 WeakPolarHBondContact OE1-CD 3.42Å; E22-R26 IonicContact OE1-CZ 3.93Å; E22-R26 IonicContact OE1-NE 3.49Å; E22-R26 PolarHBondContact OE1-NE 2.75Å; E22-R26 IonicContact OE1-NH2 2.68Å; E22-R26 PolarHBondContact OE1-NH2 2.79Å; R23-R26 PolarHBondContact O-N 2.85Å; Q24-R26 PolarHBondContact O-N 2.79Å; R26-K28 HydrophobicContact CB-CG 3.89Å; R26-K28 PolarHBondContact O-N 3.19Å; R26-E131 IonicContact CZ-OE2 3.76Å; R26-E131 IonicContact NH2-OE1 3.76Å; R26-E131 PolarHBondContact NH2-OE1 2.95Å; R26-E131 IonicContact NH2-OE2 2.69Å; R26-E131 PolarHBondContact NH2-OE2 2.95Å; R26-H134 VanDerWaalsContact CZ-CG 3.42Å; R26-H134 PolarHBondContact NH1-CD2 3.34Å; R26-H134 PolarHBondContact NH1-CE1 3.21Å; R26-H134 PolarHBondContact NH1-ND1 2.88Å; R26-H134 PolarHBondContact NH1-NE2 3.42Å
27G89Confident94.8Very high70 Ų7058.5 Ų58.572%0.72232%0.319SS*.THydrogen-bonded Turntrans60.227-178.300000113.5R23 Q24 M25R23-G27 PolarHBondContact O-N 2.84Å; Q24-G27 PolarHBondContact O-N 2.74Å; Q24-G27 VanDerWaalsContact O-N 3.12Å; M25-G27 VanDerWaalsContact C-N 3.31Å
28K88.6Confident94.7Very high108 Ų10859 Ų5947%0.4732%0.32SS..  trans-87.8158.3177.9-57.6-58.7-178.9-176.60110.4R23 R26R23-K28 VanDerWaalsContact CZ-CB 3.47Å; R23-K28 PolarHBondContact O-N 3.13Å; R26-K28 HydrophobicContact CB-CG 3.89Å; R26-K28 PolarHBondContact O-N 3.19Å
29G88.5Confident94.7Very high40 Ų4057 Ų5741%0.41230%0.303SS..SBendtrans-64.2150.9176.400000111.6T97G29-T97 VanDerWaalsContact O-CG2 3.23Å; G29-T97 WeakPolarHBondContact O-CG2 3.44Å; G29-T97 PolarHBondContact O-OG1 3.42Å
30A89Confident94.7Very high14 Ų1460 Ų6012%0.11632%0.318CS..SBendtrans57.7106.5-169.600000112.9R23 T34 H35 T97 I101R23-A30 VanDerWaalsContact CB-O 3.31Å; R23-A30 WeakPolarHBondContact CB-O 3.42Å; A30-T34 HydrophobicContact CB-CG2 3.81Å; A30-H35 PolarHBondContact O-CE1 2.88Å; A30-H35 PolarHBondContact O-ND1 2.88Å; A30-T97 HydrophobicContact CB-CG2 3.71Å; A30-I101 HydrophobicContact CB-CD1 3.9Å; A30-I101 HydrophobicContact CB-CG1 4.24Å
31G93.8Very high94.8Very high17 Ų1761 Ų6118%0.17533%0.328CS..  trans-100-158.1-176.200000113.7G20 R33 T34 H35G20-G31 CarbonylContact O-C 3.4Å; G31-R33 PolarHBondContact O-N 3.09Å; G31-T34 PolarHBondContact O-N 3.12Å; G31-H35 PolarHBondContact O-N 3.21Å; G31-H35 VanDerWaalsContact O-N 3.15Å; G31-H35 PolarHBondContact O-ND1 2.85Å
32L97.2Very high94.8Very high56 Ų5656.4 Ų56.429%0.29331%0.306SS..Hα-helixtrans-52.6-54.1-177.7177.861.3000112.7G17 G20 M21 Q24 T34 H35 V36G17-L32 WeakPolarHBondContact O-CD1 3.47Å; G20-L32 PolarHBondContact O-N 3.09Å; G20-L32 VanDerWaalsContact O-N 3.14Å; M21-L32 HydrophobicContact CB-CD1 4.36Å; Q24-L32 VanDerWaalsContact OE1-CB 3.27Å; L32-T34 VanDerWaalsContact C-N 3.31Å; L32-T34 PolarHBondContact O-N 3.3Å; L32-H35 PolarHBondContact O-N 2.83Å; L32-V36 HydrophobicContact CD1-CG2 4.02Å; L32-V36 HydrophobicContact CG-CG2 4.49Å; L32-V36 VanDerWaalsContact O-CG2 3.32Å; L32-V36 WeakPolarHBondContact O-CG2 3.23Å; L32-V36 PolarHBondContact O-N 2.96Å
33R97.2Very high94.9Very high208 Ų20855.4 Ų55.479%0.78530%0.302SS*.Hα-helixtrans-58.3-42.9-177.5-67.7-173.1-69.5175.9-2.1112.3G31 L37G31-R33 PolarHBondContact O-N 3.09Å; R33-L37 WeakPolarHBondContact O-CB 3.49Å; R33-L37 VanDerWaalsContact O-CG 3.29Å; R33-L37 WeakPolarHBondContact O-CG 3.46Å; R33-L37 PolarHBondContact O-N 3.39Å; R33-L37 VanDerWaalsContact O-N 3.1Å
34T96.2Very high95.1Very high56 Ų5659 Ų5934%0.34432%0.321SS..Hα-helixtrans-63.4-47.4-179.2-52.90000110.8A30 G31 L32 L37 I38A30-T34 HydrophobicContact CB-CG2 3.81Å; G31-T34 PolarHBondContact O-N 3.12Å; L32-T34 VanDerWaalsContact C-N 3.31Å; L32-T34 PolarHBondContact O-N 3.3Å; T34-L37 PolarHBondContact O-N 2.69Å; T34-I38 HydrophobicContact CG2-CD1 3.7Å; T34-I38 WeakPolarHBondContact O-CD1 3.24Å; T34-I38 VanDerWaalsContact O-CG1 3.28Å; T34-I38 WeakPolarHBondContact O-CG1 3.44Å; T34-I38 PolarHBondContact O-N 2.81Å
35H97.8Very high95.2Very high0 Ų059 Ų590%032%0.32CS..Hα-helixtrans-67.9-40.9-178.5-72.172.4000112.8C16 G20 A30 G31 L32 L37 I38 G39 D100 T104C16-H35 WeakPolarHBondContact CB-O 3.24Å; C16-H35 WeakPolarHBondContact O-CB 3.46Å; G20-H35 WeakPolarHBondContact CA-ND1 3.25Å; A30-H35 PolarHBondContact O-CE1 2.88Å; A30-H35 PolarHBondContact O-ND1 2.88Å; G31-H35 PolarHBondContact O-N 3.21Å; G31-H35 VanDerWaalsContact O-N 3.15Å; G31-H35 PolarHBondContact O-ND1 2.85Å; L32-H35 PolarHBondContact O-N 2.83Å; H35-L37 VanDerWaalsContact C-N 3.34Å; H35-L37 PolarHBondContact O-N 2.88Å; H35-I38 PolarHBondContact O-N 3.3Å; H35-G39 PolarHBondContact O-N 3.38Å; H35-D100 IonicContact CE1-OD2 3.44Å; H35-D100 IonicContact NE2-OD1 3.63Å; H35-D100 IonicContact NE2-OD2 2.61Å; H35-D100 PolarHBondContact NE2-OD2 3.2Å; H35-T104 HydrophobicContact CB-CG2 4.14Å; H35-T104 PolarHBondContact CD2-OG1 3.35Å
36V98.4Very high95.4Very high34 Ų3452.9 Ų52.921%0.20629%0.29CS..Hα-helixtrans-58.4-47.6174.8171.50000110.5A13 L32 G39 M40A13-V36 HydrophobicContact CB-CG1 4.05Å; L32-V36 HydrophobicContact CD1-CG2 4.02Å; L32-V36 HydrophobicContact CG-CG2 4.49Å; L32-V36 VanDerWaalsContact O-CG2 3.32Å; L32-V36 WeakPolarHBondContact O-CG2 3.23Å; L32-V36 PolarHBondContact O-N 2.96Å; V36-G39 PolarHBondContact O-N 2.82Å; V36-M40 HydrophobicContact CG1-CE 4.24Å; V36-M40 HydrophobicContact CG1-CG 4.28Å; V36-M40 HydrophobicContact CG1-SD 3.91Å; V36-M40 WeakPolarHBondContact O-CB 3.47Å; V36-M40 VanDerWaalsContact O-CG 3.27Å; V36-M40 WeakPolarHBondContact O-CG 3.29Å; V36-M40 PolarHBondContact O-N 2.99Å
37L98Very high95.8Very high114 Ų11450.9 Ų50.960%0.59728%0.283SS*.Hα-helixtrans-65.4-42.1-179.6-71173.4000112.6R33 T34 H35 M40 G41R33-L37 WeakPolarHBondContact O-CB 3.49Å; R33-L37 VanDerWaalsContact O-CG 3.29Å; R33-L37 WeakPolarHBondContact O-CG 3.46Å; R33-L37 PolarHBondContact O-N 3.39Å; R33-L37 VanDerWaalsContact O-N 3.1Å; T34-L37 PolarHBondContact O-N 2.69Å; H35-L37 VanDerWaalsContact C-N 3.34Å; H35-L37 PolarHBondContact O-N 2.88Å; L37-M40 HydrophobicContact CD2-CE 4.17Å; L37-G41 PolarHBondContact O-N 2.79Å
38I97.5Very high96.2Very high17 Ų1750.8 Ų50.89%0.08727%0.268CS..Hα-helixtrans-62.6-48176.2-70162000110.4T34 H35 S42 I101 T104 A105T34-I38 HydrophobicContact CG2-CD1 3.7Å; T34-I38 WeakPolarHBondContact O-CD1 3.24Å; T34-I38 VanDerWaalsContact O-CG1 3.28Å; T34-I38 WeakPolarHBondContact O-CG1 3.44Å; T34-I38 PolarHBondContact O-N 2.81Å; H35-I38 PolarHBondContact O-N 3.3Å; I38-S42 WeakPolarHBondContact O-CB 3.46Å; I38-S42 PolarHBondContact O-N 3.04Å; I38-S42 PolarHBondContact O-OG 2.93Å; I38-I101 HydrophobicContact CD1-CB 4.31Å; I38-I101 HydrophobicContact CD1-CD1 4.46Å; I38-I101 HydrophobicContact CD1-CG1 3.9Å; I38-I101 HydrophobicContact CD1-CG2 3.84Å; I38-T104 HydrophobicContact CB-CG2 4.27Å; I38-T104 HydrophobicContact CG2-CG2 4Å; I38-A105 HydrophobicContact CG2-CB 3.77Å
39G98.2Very high96.6Very high0 Ų045.7 Ų45.70%025%0.247CC..Hα-helixtrans-60.7-51.4179.500000112.8C16 H35 V36 S42 A43 G108C16-G39 WeakPolarHBondContact SG-CA 3.39Å; H35-G39 PolarHBondContact O-N 3.38Å; V36-G39 PolarHBondContact O-N 2.82Å; G39-S42 PolarHBondContact O-N 2.88Å; G39-A43 WeakPolarHBondContact O-CB 3.49Å; G39-A43 PolarHBondContact O-N 3.41Å; G39-G108 WeakPolarHBondContact O-CA 3.23Å
40M98.1Very high96.9Very high62 Ų6247.7 Ų47.731%0.30524%0.244SC..Hα-helixtrans-63.9-44.5177.8-68.7-171.7-28.900112.3A13 V36 L37 S42 A43 L44A13-M40 HydrophobicContact CB-CG 3.75Å; A13-M40 HydrophobicContact CB-SD 3.82Å; V36-M40 HydrophobicContact CG1-CE 4.24Å; V36-M40 HydrophobicContact CG1-CG 4.28Å; V36-M40 HydrophobicContact CG1-SD 3.91Å; V36-M40 WeakPolarHBondContact O-CB 3.47Å; V36-M40 VanDerWaalsContact O-CG 3.27Å; V36-M40 WeakPolarHBondContact O-CG 3.29Å; V36-M40 PolarHBondContact O-N 2.99Å; L37-M40 HydrophobicContact CD2-CE 4.17Å; M40-S42 VanDerWaalsContact C-N 3.34Å; M40-S42 PolarHBondContact O-N 3.22Å; M40-A43 PolarHBondContact O-N 3.37Å; M40-L44 WeakPolarHBondContact O-CG 3.41Å; M40-L44 PolarHBondContact O-N 2.91Å
41G98.1Very high97.1Very high21 Ų2150.4 Ų50.422%0.21625%0.252CS..Hα-helixtrans-61-44178.100000111.8L37 A43 L44 F45L37-G41 PolarHBondContact O-N 2.79Å; G41-A43 VanDerWaalsContact C-N 3.35Å; G41-A43 PolarHBondContact O-N 3.5Å; G41-L44 WeakPolarHBondContact O-CB 3.39Å; G41-L44 PolarHBondContact O-N 3.49Å; G41-F45 WeakPolarHBondContact O-CD2 3.17Å; G41-F45 PolarHBondContact O-N 2.92Å
42S98.3Very high97.1Very high5 Ų551.6 Ų51.64%0.03526%0.263CS..Hα-helixtrans-64.7-38.7176.4-57.80000112.1I38 G39 M40 M46 A105I38-S42 WeakPolarHBondContact O-CB 3.46Å; I38-S42 PolarHBondContact O-N 3.04Å; I38-S42 PolarHBondContact O-OG 2.93Å; G39-S42 PolarHBondContact O-N 2.88Å; M40-S42 VanDerWaalsContact C-N 3.34Å; M40-S42 PolarHBondContact O-N 3.22Å; S42-M46 PolarHBondContact O-N 3.25Å; S42-A105 VanDerWaalsContact CB-O 3.26Å; S42-A105 WeakPolarHBondContact CB-O 3.28Å; S42-A105 WeakPolarHBondContact OG-CA 3.42Å; S42-A105 WeakPolarHBondContact OG-CB 3.49Å
43A98.4Very high96.9Very high0 Ų052.9 Ų52.90%027%0.267CS..Hα-helixtrans-64.3-44.1173.700000112L9 A12 G39 M40 G41 M46 I47 G108L9-A43 HydrophobicContact CD2-CB 3.86Å; A12-A43 HydrophobicContact CB-CB 3.79Å; G39-A43 WeakPolarHBondContact O-CB 3.49Å; G39-A43 PolarHBondContact O-N 3.41Å; M40-A43 PolarHBondContact O-N 3.37Å; G41-A43 VanDerWaalsContact C-N 3.35Å; G41-A43 PolarHBondContact O-N 3.5Å; A43-M46 PolarHBondContact O-N 3.07Å; A43-I47 VanDerWaalsContact O-CG1 3.25Å; A43-I47 WeakPolarHBondContact O-CG1 3.48Å; A43-I47 PolarHBondContact O-N 2.9Å; A43-G108 VanDerWaalsContact CA-O 3.24Å; A43-G108 WeakPolarHBondContact CA-O 3.36Å; A43-G108 VanDerWaalsContact CB-O 3.25Å; A43-G108 WeakPolarHBondContact CB-O 3.44Å
44L97.8Very high96.5Very high88 Ų8846.3 Ų46.346%0.46126%0.257SS..Hα-helixtrans-57.7-50.5174.9-77.4169.9000111.3L9 M40 G41 M46 I47 V48L9-L44 HydrophobicContact CD1-CD2 3.69Å; L9-L44 HydrophobicContact CD1-CG 4.37Å; L9-L44 HydrophobicContact CD2-CD2 3.72Å; L9-L44 HydrophobicContact CD2-CG 3.62Å; L9-L44 HydrophobicContact CG-CD2 4.32Å; M40-L44 WeakPolarHBondContact O-CG 3.41Å; M40-L44 PolarHBondContact O-N 2.91Å; G41-L44 WeakPolarHBondContact O-CB 3.39Å; G41-L44 PolarHBondContact O-N 3.49Å; L44-M46 VanDerWaalsContact C-N 3.32Å; L44-M46 PolarHBondContact O-N 3.14Å; L44-I47 PolarHBondContact O-N 3.33Å; L44-I47 VanDerWaalsContact O-N 3.14Å; L44-V48 WeakPolarHBondContact O-CG2 3.48Å; L44-V48 PolarHBondContact O-N 2.84Å
45F97.8Very high96.3Very high114 Ų11449.3 Ų49.350%0.527%0.271SS..Hα-helixtrans-60.9-40.2178.9-76.6-56.7000112.3G41 V48 S49 I69 V73G41-F45 WeakPolarHBondContact O-CD2 3.17Å; G41-F45 PolarHBondContact O-N 2.92Å; F45-V48 PolarHBondContact O-N 3.09Å; F45-S49 VanDerWaalsContact O-CB 3.28Å; F45-S49 WeakPolarHBondContact O-CB 3.24Å; F45-S49 PolarHBondContact O-N 3.31Å; F45-I69 HydrophobicContact CB-CG2 4Å; F45-I69 HydrophobicContact CD1-CG2 3.85Å; F45-I69 HydrophobicContact CG-CG2 4.32Å; F45-V73 HydrophobicContact CB-CG2 3.33Å; F45-V73 HydrophobicContact CD2-CG2 3.77Å; F45-V73 HydrophobicContact CG-CG2 3.73Å
46M97.9Very high96Very high28 Ų2851.5 Ų51.514%0.13828%0.284CS..Hα-helixtrans-64.6-41.5174.2178.36071.200112.3S42 A43 L44 V48 S49 K50 A70 M109 S113S42-M46 PolarHBondContact O-N 3.25Å; A43-M46 PolarHBondContact O-N 3.07Å; L44-M46 VanDerWaalsContact C-N 3.32Å; L44-M46 PolarHBondContact O-N 3.14Å; M46-V48 VanDerWaalsContact C-N 3.35Å; M46-V48 PolarHBondContact O-N 3.46Å; M46-S49 PolarHBondContact O-N 2.85Å; M46-K50 WeakPolarHBondContact O-CB 3.22Å; M46-K50 PolarHBondContact O-N 2.91Å; M46-K50 HydrophobicContact SD-CB 4.5Å; M46-A70 HydrophobicContact CE-CB 3.62Å; M46-A70 HydrophobicContact SD-CB 4.29Å; M46-M109 HydrophobicContact CB-CB 4.31Å; M46-M109 HydrophobicContact CB-CG 4.33Å; M46-M109 HydrophobicContact CE-CB 3.85Å; M46-M109 HydrophobicContact CE-CG 4.25Å; M46-M109 HydrophobicContact CE-SD 4.32Å; M46-M109 VanDerWaalsContact CG-O 3.29Å; M46-M109 WeakPolarHBondContact CG-O 3.47Å; M46-S113 VanDerWaalsContact CG-N 3.34Å
47I97.1Very high95.6Very high16 Ų1653.8 Ų53.88%0.08230%0.295CS..Hα-helixtrans-60.5-46.8177.3-70.7163.2000110.1F5 R8 L9 A43 L44 K50 Y51 G112F5-I47 HydrophobicContact CB-CD1 4.16Å; F5-I47 HydrophobicContact CB-CG2 4.47Å; F5-I47 HydrophobicContact CD1-CD1 4.35Å; F5-I47 HydrophobicContact CD1-CG1 4.29Å; F5-I47 HydrophobicContact CD1-CG2 3.82Å; F5-I47 HydrophobicContact CD2-CG2 3.96Å; F5-I47 HydrophobicContact CE1-CG2 3.97Å; F5-I47 HydrophobicContact CE2-CG2 4.09Å; F5-I47 HydrophobicContact CG-CD1 4.45Å; F5-I47 HydrophobicContact CG-CG2 3.83Å; F5-I47 HydrophobicContact CZ-CG2 4.1Å; R8-I47 HydrophobicContact CB-CD1 4.22Å; L9-I47 HydrophobicContact CD2-CD1 4.11Å; L9-I47 HydrophobicContact CG-CD1 4.38Å; A43-I47 VanDerWaalsContact O-CG1 3.25Å; A43-I47 WeakPolarHBondContact O-CG1 3.48Å; A43-I47 PolarHBondContact O-N 2.9Å; L44-I47 PolarHBondContact O-N 3.33Å; L44-I47 VanDerWaalsContact O-N 3.14Å; I47-K50 PolarHBondContact O-N 3.41Å; I47-Y51 HydrophobicContact CG2-CD2 4.34Å; I47-Y51 WeakPolarHBondContact O-CB 3.33Å; I47-Y51 WeakPolarHBondContact O-CD2 3.45Å; I47-Y51 PolarHBondContact O-N 3.28Å; I47-G112 VanDerWaalsContact CG1-O 3.31Å; I47-G112 WeakPolarHBondContact CG1-O 3.38Å
48V96.4Very high95.2Very high68 Ų6853.3 Ų53.341%0.41230%0.301SS..Hα-helixtrans-62.3-45.7175.7177.90000110.8L44 F45 M46 K50 G52 F53 I69L44-V48 WeakPolarHBondContact O-CG2 3.48Å; L44-V48 PolarHBondContact O-N 2.84Å; F45-V48 PolarHBondContact O-N 3.09Å; M46-V48 VanDerWaalsContact C-N 3.35Å; M46-V48 PolarHBondContact O-N 3.46Å; V48-K50 VanDerWaalsContact C-N 3.32Å; V48-K50 PolarHBondContact O-N 3.35Å; V48-G52 WeakPolarHBondContact O-CA 3.46Å; V48-G52 PolarHBondContact O-N 3.5Å; V48-F53 HydrophobicContact CG1-CE2 4.12Å; V48-F53 HydrophobicContact CG1-CZ 4.36Å; V48-I69 HydrophobicContact CG1-CD1 3.77Å
49S96.4Very high95Very high2 Ų257.3 Ų57.31%0.01432%0.322CS..Hα-helixtrans-56.9-44.1179.4-151.30000112.5F45 M46 P66 I69 A70F45-S49 VanDerWaalsContact O-CB 3.28Å; F45-S49 WeakPolarHBondContact O-CB 3.24Å; F45-S49 PolarHBondContact O-N 3.31Å; M46-S49 PolarHBondContact O-N 2.85Å; S49-P66 WeakPolarHBondContact CB-O 3.43Å; S49-P66 WeakPolarHBondContact O-CA 3.32Å; S49-P66 PolarHBondContact OG-O 3.22Å; S49-I69 WeakPolarHBondContact OG-CB 3.35Å; S49-I69 PolarHBondContact OG-N 2.95Å; S49-A70 PolarHBondContact OG-N 3.47Å
50K95.3Very high94.6Very high82 Ų8264.3 Ų64.336%0.35736%0.36SS..Hα-helixtrans-89.5-31.5-173.2-176.2172.2172.1-175.20114.1M46 I47 V48 P66 S113M46-K50 WeakPolarHBondContact O-CB 3.22Å; M46-K50 PolarHBondContact O-N 2.91Å; M46-K50 HydrophobicContact SD-CB 4.5Å; I47-K50 PolarHBondContact O-N 3.41Å; V48-K50 VanDerWaalsContact C-N 3.32Å; V48-K50 PolarHBondContact O-N 3.35Å; K50-P66 HydrophobicContact CB-CB 4.46Å; K50-S113 PolarHBondContact NZ-O 2.94Å
51Y94.2Very high94.2Very high71 Ų7170.9 Ų70.928%0.27839%0.389SS..Hα-helixtrans-126.7-12.1-169.6-51.4-82000114.4F5 R8 I47 F53 S113F5-Y51 HydrophobicContact CE1-CD1 4.48Å; F5-Y51 AromaticContact CE1-CD2 3.78Å; F5-Y51 HydrophobicContact CE1-CD2 3.78Å; F5-Y51 HydrophobicContact CE1-CE2 4.18Å; F5-Y51 AromaticContact CE1-CG 3.96Å; F5-Y51 HydrophobicContact CE1-CG 3.96Å; F5-Y51 HydrophobicContact CZ-CD1 4.37Å; F5-Y51 HydrophobicContact CZ-CD2 4.03Å; F5-Y51 AromaticContact CZ-CG 3.79Å; F5-Y51 HydrophobicContact CZ-CG 3.79Å; R8-Y51 PolarHBondContact NH1-OH 3.35Å; R8-Y51 PolarHBondContact NH2-OH 3.47Å; R8-Y51 VanDerWaalsContact NH2-OH 3.15Å; I47-Y51 HydrophobicContact CG2-CD2 4.34Å; I47-Y51 WeakPolarHBondContact O-CB 3.33Å; I47-Y51 WeakPolarHBondContact O-CD2 3.45Å; I47-Y51 PolarHBondContact O-N 3.28Å; Y51-F53 VanDerWaalsContact C-N 3.34Å; Y51-F53 PolarHBondContact O-N 3.28Å; Y51-S113 PolarHBondContact OH-O 3Å
52G93.5Very high93.8Very high41 Ų4172.9 Ų72.942%0.42340%0.397SS..THydrogen-bonded Turntrans-78.2-7.2-16700000116.6V48V48-G52 WeakPolarHBondContact O-CA 3.46Å; V48-G52 PolarHBondContact O-N 3.5Å
53F92.9Very high93.3Very high84 Ų8476 Ų7637%0.36843%0.43SS..THydrogen-bonded Turntrans-121.623.5-171.2-61.7-79.7000113V48 Y51 D55 V56 L64 I69V48-F53 HydrophobicContact CG1-CE2 4.12Å; V48-F53 HydrophobicContact CG1-CZ 4.36Å; Y51-F53 VanDerWaalsContact C-N 3.34Å; Y51-F53 PolarHBondContact O-N 3.28Å; F53-D55 WeakPolarHBondContact CA-OD1 3.33Å; F53-D55 PolarHBondContact O-N 2.85Å; F53-V56 HydrophobicContact CB-CG2 3.88Å; F53-V56 HydrophobicContact CD1-CG2 4.44Å; F53-V56 WeakPolarHBondContact O-CG2 3.24Å; F53-V56 PolarHBondContact O-N 2.88Å; F53-L64 HydrophobicContact CB-CD1 4Å; F53-L64 HydrophobicContact CD2-CD1 4.16Å; F53-L64 HydrophobicContact CG-CD1 4.45Å; F53-I69 HydrophobicContact CE2-CD1 3.64Å; F53-I69 HydrophobicContact CZ-CD1 3.84Å
54A89.3Confident92.9Very high70 Ų7079.1 Ų79.158%0.57945%0.447SS*.THydrogen-bonded Turntrans-65.7-25.1-178.800000113.1
55D91.2Very high92.7Very high119 Ų11978 Ų7864%0.63644%0.441SS*.THydrogen-bonded Turntrans-69.3-28.9178.461.2-43000113.7F53F53-D55 WeakPolarHBondContact CA-OD1 3.33Å; F53-D55 PolarHBondContact O-N 2.85Å
56V92Very high92.3Very high46 Ų4675.2 Ų75.228%0.27943%0.434SS..THydrogen-bonded Turntrans-94.8-9.1-179.8-61.50000113.7F53 S58 L59 V62F53-V56 HydrophobicContact CB-CG2 3.88Å; F53-V56 HydrophobicContact CD1-CG2 4.44Å; F53-V56 WeakPolarHBondContact O-CG2 3.24Å; F53-V56 PolarHBondContact O-N 2.88Å; V56-S58 PolarHBondContact O-N 2.61Å; V56-L59 HydrophobicContact CB-CD1 4.2Å; V56-L59 HydrophobicContact CG1-CD1 4.42Å; V56-L59 WeakPolarHBondContact O-CB 3.43Å; V56-L59 PolarHBondContact O-N 2.86Å; V56-V62 HydrophobicContact CB-CG1 4.48Å; V56-V62 HydrophobicContact CG2-CG1 4.21Å
57L89.7Confident92.1Very high81 Ų8177 Ų7742%0.42445%0.449SS..THydrogen-bonded Turntrans-66.8-16.2-178.5-81.6179.8000114.3L59 L64L57-L59 VanDerWaalsContact C-N 3.35Å; L57-L64 HydrophobicContact CD1-CD2 4.22Å; L57-L64 HydrophobicContact CD2-CB 3.55Å; L57-L64 HydrophobicContact CG-CB 4.4Å
58S89.6Confident91.9Very high104 Ų10484.7 Ų84.773%0.72748%0.477SS*.THydrogen-bonded Turntrans-85-7.6177.1570000113.7V56V56-S58 PolarHBondContact O-N 2.61Å
59L92.4Very high91.9Very high102 Ų10283.7 Ų83.753%0.53447%0.469SS..SBendtrans-80.4141.5179-60.2174.9000110.7V56 L57 H61 V62V56-L59 HydrophobicContact CB-CD1 4.2Å; V56-L59 HydrophobicContact CG1-CD1 4.42Å; V56-L59 WeakPolarHBondContact O-CB 3.43Å; V56-L59 PolarHBondContact O-N 2.86Å; L57-L59 VanDerWaalsContact C-N 3.35Å; L59-H61 PolarHBondContact O-N 3.23Å; L59-V62 HydrophobicContact CB-CB 4.39Å; L59-V62 HydrophobicContact CB-CG2 3.74Å; L59-V62 HydrophobicContact CD1-CG2 4.45Å; L59-V62 PolarHBondContact O-N 3.18Å
60D90.9Very high91.9Very high146 Ų14684.1 Ų84.178%0.78147%0.473SS*.THydrogen-bonded Turntrans-58.5139.4175.1-70.7-32000110.9V62D60-V62 VanDerWaalsContact C-N 3.26Å; D60-V62 PolarHBondContact O-N 3.22Å
61H89.7Confident91.9Very high200 Ų20082.4 Ų82.493%0.92647%0.474SS*.THydrogen-bonded Turntrans63.816.6179-49.3-66000116.4L59L59-H61 PolarHBondContact O-N 3.23Å
62V89.5Confident92Very high63 Ų6385.1 Ų85.138%0.38249%0.489SS..  trans-96.6125.3172178.90000110.9V56 L59 D60V56-V62 HydrophobicContact CB-CG1 4.48Å; V56-V62 HydrophobicContact CG2-CG1 4.21Å; L59-V62 HydrophobicContact CB-CB 4.39Å; L59-V62 HydrophobicContact CB-CG2 3.74Å; L59-V62 HydrophobicContact CD1-CG2 4.45Å; L59-V62 PolarHBondContact O-N 3.18Å; D60-V62 VanDerWaalsContact C-N 3.26Å; D60-V62 PolarHBondContact O-N 3.22Å
63G87.4Confident92.1Very high71 Ų7183.8 Ų83.873%0.73247%0.473SS*.  trans-116.5137.6170.800000111
64L89.9Confident92.2Very high66 Ų6682.8 Ų82.835%0.34647%0.473SS..  trans-90.4125.2173.7176.864.7000110.6F53 L57 P66F53-L64 HydrophobicContact CB-CD1 4Å; F53-L64 HydrophobicContact CD2-CD1 4.16Å; F53-L64 HydrophobicContact CG-CD1 4.45Å; L57-L64 HydrophobicContact CD1-CD2 4.22Å; L57-L64 HydrophobicContact CD2-CB 3.55Å; L57-L64 HydrophobicContact CG-CB 4.4Å; L64-P66 HydrophobicContact CD2-CG 4.4Å; L64-P66 HydrophobicContact CG-CG 4.18Å
65D93Very high92.3Very high63 Ų6384 Ų8434%0.33747%0.474SS..  trans-116.697.8169.3177.70.3000109.5S67 R68D65-S67 VanDerWaalsContact CG-OG 3.29Å; D65-S67 PolarHBondContact O-N 3.33Å; D65-S67 VanDerWaalsContact OD1-CB 3.27Å; D65-S67 WeakPolarHBondContact OD1-CB 3.26Å; D65-S67 PolarHBondContact OD1-N 3.46Å; D65-S67 PolarHBondContact OD1-OG 3.36Å; D65-S67 PolarHBondContact OD2-OG 2.89Å; D65-R68 HydrophobicContact CB-CG 4.05Å; D65-R68 PolarHBondContact O-N 2.85Å; D65-R68 WeakPolarHBondContact OD2-CG 3.29Å; D65-R68 IonicContact OD2-NE 3.47Å; D65-R68 PolarHBondContact OD2-NE 3.3Å
66P90.4Very high92.4Very high56 Ų5680 Ų8036%0.36446%0.461SS..THydrogen-bonded Turntrans-63-8.9180-24.635.7000114.8S49 K50 L64S49-P66 WeakPolarHBondContact CB-O 3.43Å; S49-P66 WeakPolarHBondContact O-CA 3.32Å; S49-P66 PolarHBondContact OG-O 3.22Å; K50-P66 HydrophobicContact CB-CB 4.46Å; L64-P66 HydrophobicContact CD2-CG 4.4Å; L64-P66 HydrophobicContact CG-CG 4.18Å
67S93.4Very high92.5Very high65 Ų6578.3 Ų78.346%0.45545%0.45SS..Hα-helixtrans-81.9-20.5-179.476.10000113D65 A70 A71D65-S67 VanDerWaalsContact CG-OG 3.29Å; D65-S67 PolarHBondContact O-N 3.33Å; D65-S67 VanDerWaalsContact OD1-CB 3.27Å; D65-S67 WeakPolarHBondContact OD1-CB 3.26Å; D65-S67 PolarHBondContact OD1-N 3.46Å; D65-S67 PolarHBondContact OD1-OG 3.36Å; D65-S67 PolarHBondContact OD2-OG 2.89Å; S67-A70 PolarHBondContact O-N 3.49Å; S67-A71 VanDerWaalsContact O-CB 3.22Å; S67-A71 WeakPolarHBondContact O-CB 3.44Å; S67-A71 PolarHBondContact O-N 3.11Å
68R93.7Very high92.6Very high178 Ų17876.2 Ų76.267%0.67245%0.449SS*.Hα-helixtrans-64.2-54.2-167.7-70.4-176.6179.7-106.91.3114D65 Q72D65-R68 HydrophobicContact CB-CG 4.05Å; D65-R68 PolarHBondContact O-N 2.85Å; D65-R68 WeakPolarHBondContact OD2-CG 3.29Å; D65-R68 IonicContact OD2-NE 3.47Å; D65-R68 PolarHBondContact OD2-NE 3.3Å; R68-Q72 WeakPolarHBondContact O-CG 2.93Å; R68-Q72 PolarHBondContact O-N 2.94Å
69I96.1Very high92.7Very high48 Ų4879.4 Ų79.425%0.24645%0.45CS..Hα-helixtrans-70.8-39.7178.4-61.9176.5000109.5F45 V48 S49 F53 A71 Q72 V73F45-I69 HydrophobicContact CB-CG2 4Å; F45-I69 HydrophobicContact CD1-CG2 3.85Å; F45-I69 HydrophobicContact CG-CG2 4.32Å; V48-I69 HydrophobicContact CG1-CD1 3.77Å; S49-I69 WeakPolarHBondContact OG-CB 3.35Å; S49-I69 PolarHBondContact OG-N 2.95Å; F53-I69 HydrophobicContact CE2-CD1 3.64Å; F53-I69 HydrophobicContact CZ-CD1 3.84Å; I69-A71 VanDerWaalsContact C-N 3.35Å; I69-A71 PolarHBondContact O-N 2.99Å; I69-Q72 PolarHBondContact O-N 3.36Å; I69-Q72 VanDerWaalsContact O-N 3.11Å; I69-V73 PolarHBondContact O-N 3.3Å
70A95.5Very high92.6Very high11 Ų1178.2 Ų78.29%0.09144%0.443CS..Hα-helixtrans-57.1-42.7176.900000113.1M46 S49 S67 Q72 V73 V74 M109M46-A70 HydrophobicContact CE-CB 3.62Å; M46-A70 HydrophobicContact SD-CB 4.29Å; S49-A70 PolarHBondContact OG-N 3.47Å; S67-A70 PolarHBondContact O-N 3.49Å; A70-Q72 VanDerWaalsContact C-N 3.29Å; A70-Q72 PolarHBondContact O-N 3.02Å; A70-V73 WeakPolarHBondContact O-CB 3.21Å; A70-V73 PolarHBondContact O-N 2.87Å; A70-V73 VanDerWaalsContact O-N 3.13Å; A70-V74 PolarHBondContact O-N 3.5Å; A70-M109 HydrophobicContact CB-SD 4.42Å
71A95.4Very high92.5Very high45 Ų4571.4 Ų71.437%0.37241%0.408SS..Hα-helixtrans-64.3-32.8177.500000112.6S67 I69 V73 V74 T75S67-A71 VanDerWaalsContact O-CB 3.22Å; S67-A71 WeakPolarHBondContact O-CB 3.44Å; S67-A71 PolarHBondContact O-N 3.11Å; I69-A71 VanDerWaalsContact C-N 3.35Å; I69-A71 PolarHBondContact O-N 2.99Å; A71-V73 VanDerWaalsContact C-N 3.32Å; A71-V74 PolarHBondContact O-N 3.05Å; A71-T75 PolarHBondContact O-N 3.31Å; A71-T75 VanDerWaalsContact O-N 3.16Å; A71-T75 PolarHBondContact O-OG1 3.43Å; A71-T75 VanDerWaalsContact O-OG1 3.11Å
72Q96.4Very high92.6Very high129 Ų12964.7 Ų64.760%0.60339%0.387SS*.Hα-helixtrans-71.2-27.5175.4-62.3-53.1-44.800112.5R68 I69 A70 T75 G76R68-Q72 WeakPolarHBondContact O-CG 2.93Å; R68-Q72 PolarHBondContact O-N 2.94Å; I69-Q72 PolarHBondContact O-N 3.36Å; I69-Q72 VanDerWaalsContact O-N 3.11Å; A70-Q72 VanDerWaalsContact C-N 3.29Å; A70-Q72 PolarHBondContact O-N 3.02Å; Q72-T75 PolarHBondContact O-N 2.87Å; Q72-G76 PolarHBondContact O-N 3.09Å
73V96.5Very high92.6Very high12 Ų1264.6 Ų64.67%0.07340%0.398CS..Hα-helixtrans-64.2-47.5170.7-179.50000110.4F45 I69 A70 A71 T75 G76 V77 M109F45-V73 HydrophobicContact CB-CG2 3.33Å; F45-V73 HydrophobicContact CD2-CG2 3.77Å; F45-V73 HydrophobicContact CG-CG2 3.73Å; I69-V73 PolarHBondContact O-N 3.3Å; A70-V73 WeakPolarHBondContact O-CB 3.21Å; A70-V73 PolarHBondContact O-N 2.87Å; A70-V73 VanDerWaalsContact O-N 3.13Å; A71-V73 VanDerWaalsContact C-N 3.32Å; V73-T75 VanDerWaalsContact C-N 3.27Å; V73-T75 PolarHBondContact O-N 2.95Å; V73-G76 PolarHBondContact O-N 2.94Å; V73-V77 HydrophobicContact CG1-CG2 4.03Å; V73-V77 WeakPolarHBondContact O-CB 3.28Å; V73-V77 WeakPolarHBondContact O-CG2 3.35Å; V73-V77 PolarHBondContact O-N 3.17Å; V73-M109 HydrophobicContact CB-CE 4.43Å; V73-M109 HydrophobicContact CB-SD 3.72Å; V73-M109 HydrophobicContact CG1-CE 4.11Å; V73-M109 HydrophobicContact CG1-CG 4.17Å; V73-M109 HydrophobicContact CG1-SD 3.78Å; V73-M109 HydrophobicContact CG2-SD 4.32Å
74V93.6Very high92.7Very high63 Ų6363.7 Ų63.738%0.38238%0.377SS..Hα-helixtrans-56.3-44.8178.2-178.40000110.7A70 A71 G78 M109A70-V74 PolarHBondContact O-N 3.5Å; A71-V74 PolarHBondContact O-N 3.05Å; V74-G78 PolarHBondContact O-N 3.38Å; V74-M109 HydrophobicContact CG2-CE 3.78Å; V74-M109 HydrophobicContact CG2-SD 4.45Å
75T92.5Very high92.7Very high96 Ų9663.5 Ų63.559%0.58938%0.376SS*.Hα-helixtrans-67.5-48.3178.6-54.10000111.7A71 Q72 V73 V77 G78A71-T75 PolarHBondContact O-N 3.31Å; A71-T75 VanDerWaalsContact O-N 3.16Å; A71-T75 PolarHBondContact O-OG1 3.43Å; A71-T75 VanDerWaalsContact O-OG1 3.11Å; Q72-T75 PolarHBondContact O-N 2.87Å; V73-T75 VanDerWaalsContact C-N 3.27Å; V73-T75 PolarHBondContact O-N 2.95Å; T75-V77 VanDerWaalsContact C-N 3.35Å; T75-V77 PolarHBondContact O-N 3.34Å; T75-G78 PolarHBondContact O-N 2.91Å; T75-G78 VanDerWaalsContact O-N 3.12Å
76G92.8Very high92.6Very high36 Ų3664.6 Ų64.637%0.37138%0.381SS..Hα-helixtrans-64.6-35.9-177.600000113.3Q72 V73 G78 F79 I80Q72-G76 PolarHBondContact O-N 3.09Å; V73-G76 PolarHBondContact O-N 2.94Å; G76-G78 PolarHBondContact O-N 2.82Å; G76-F79 WeakPolarHBondContact O-CB 3.43Å; G76-F79 PolarHBondContact O-N 3.43Å; G76-F79 VanDerWaalsContact O-N 3.12Å; G76-I80 PolarHBondContact O-N 2.8Å
77V94.1Very high92.5Very high9 Ų967.1 Ų67.16%0.05540%0.395CS..Hα-helixtrans-67.5-28.5176.2174.70000111.4V73 T75 F79 I80 G81 I101 W102 A105V73-V77 HydrophobicContact CG1-CG2 4.03Å; V73-V77 WeakPolarHBondContact O-CB 3.28Å; V73-V77 WeakPolarHBondContact O-CG2 3.35Å; V73-V77 PolarHBondContact O-N 3.17Å; T75-V77 VanDerWaalsContact C-N 3.35Å; T75-V77 PolarHBondContact O-N 3.34Å; V77-F79 PolarHBondContact O-N 3.2Å; V77-I80 PolarHBondContact O-N 3.32Å; V77-G81 PolarHBondContact O-N 2.92Å; V77-I101 HydrophobicContact CG1-CG2 3.72Å; V77-W102 HydrophobicContact CG1-CB 4.45Å; V77-A105 HydrophobicContact CB-CB 4.09Å; V77-A105 HydrophobicContact CG1-CB 3.77Å; V77-A105 HydrophobicContact CG2-CB 3.4Å
78G91.8Very high92Very high38 Ų3872 Ų7239%0.39240%0.403SS..Hα-helixtrans-56.8-38170.500000112.8V74 T75 G76 G81 A82V74-G78 PolarHBondContact O-N 3.38Å; T75-G78 PolarHBondContact O-N 2.91Å; T75-G78 VanDerWaalsContact O-N 3.12Å; G76-G78 PolarHBondContact O-N 2.82Å; G78-G81 PolarHBondContact O-N 3.11Å; G78-A82 WeakPolarHBondContact O-CB 3.35Å; G78-A82 PolarHBondContact O-N 3.32Å
79F91.7Very high91.2Very high171 Ų17170.9 Ų70.975%0.7541%0.411SS*.Hα-helixtrans-66.6-43.9174.7-178.4-95000112.2G76 V77 G81 A82 G83G76-F79 WeakPolarHBondContact O-CB 3.43Å; G76-F79 PolarHBondContact O-N 3.43Å; G76-F79 VanDerWaalsContact O-N 3.12Å; V77-F79 PolarHBondContact O-N 3.2Å; F79-G81 VanDerWaalsContact C-N 3.35Å; F79-A82 PolarHBondContact O-N 3.16Å; F79-G83 PolarHBondContact O-N 3.12Å
80I89.8Confident90.6Very high76 Ų7677.7 Ų77.739%0.3944%0.442SS..Hα-helixtrans-63.3-43176.4-59.3174.6000110.5G76 V77 G83 N84 I101G76-I80 PolarHBondContact O-N 2.8Å; V77-I80 PolarHBondContact O-N 3.32Å; I80-G83 PolarHBondContact O-N 3.38Å; I80-N84 PolarHBondContact O-N 2.87Å; I80-N84 PolarHBondContact O-ND2 2.61Å; I80-I101 HydrophobicContact CB-CG2 4.37Å; I80-I101 HydrophobicContact CG2-CD1 4.27Å; I80-I101 HydrophobicContact CG2-CG2 4Å
81G89.6Confident89.8Confident4 Ų482.5 Ų82.54%0.04147%0.466CS..Hα-helixtrans-60.6-50176.200000111.8V77 G78 F79 G83 N84 A98V77-G81 PolarHBondContact O-N 2.92Å; G78-G81 PolarHBondContact O-N 3.11Å; F79-G81 VanDerWaalsContact C-N 3.35Å; G81-G83 VanDerWaalsContact C-N 3.27Å; G81-G83 PolarHBondContact O-N 3.48Å; G81-N84 WeakPolarHBondContact O-CB 3.45Å; G81-N84 PolarHBondContact O-N 3.49Å; G81-A98 VanDerWaalsContact O-CB 3.25Å; G81-A98 WeakPolarHBondContact O-CB 3.29Å
82A90.8Very high89.4Confident59 Ų5985.2 Ų85.249%0.48847%0.473SS..Hα-helixtrans-58.3-38.7176.500000112.5G78 F79 N84 I85G78-A82 WeakPolarHBondContact O-CB 3.35Å; G78-A82 PolarHBondContact O-N 3.32Å; F79-A82 PolarHBondContact O-N 3.16Å; A82-N84 PolarHBondContact O-N 3.34Å; A82-N84 VanDerWaalsContact O-N 3.11Å; A82-I85 PolarHBondContact O-N 3.12Å
83G91Very high89Confident60 Ų6082.1 Ų82.162%0.61946%0.463SS*.THydrogen-bonded Turntrans-62.4-15.5176.100000114.9F79 I80 G81F79-G83 PolarHBondContact O-N 3.12Å; I80-G83 PolarHBondContact O-N 3.38Å; G81-G83 VanDerWaalsContact C-N 3.27Å; G81-G83 PolarHBondContact O-N 3.48Å
84N88Confident88.8Confident53 Ų5382.8 Ų82.828%0.28347%0.472SS..THydrogen-bonded Turntrans-94-6.6174.8-74.7-85.4000113.5I80 G81 A82 T97 I101I80-N84 PolarHBondContact O-N 2.87Å; I80-N84 PolarHBondContact O-ND2 2.61Å; G81-N84 WeakPolarHBondContact O-CB 3.45Å; G81-N84 PolarHBondContact O-N 3.49Å; A82-N84 PolarHBondContact O-N 3.34Å; A82-N84 VanDerWaalsContact O-N 3.11Å; N84-T97 HydrophobicContact CB-CG2 4.02Å; N84-I101 WeakPolarHBondContact ND2-CD1 3.19Å
85I91.6Very high88.7Confident62 Ų6284.6 Ų84.632%0.31848%0.479SS..  trans-88.7121179.4-58.5172.1000108.7A82 I92 V93 L95 A98A82-I85 PolarHBondContact O-N 3.12Å; I85-I92 HydrophobicContact CG2-CG2 3.66Å; I85-V93 WeakPolarHBondContact CA-O 3.48Å; I85-L95 HydrophobicContact CD1-CD2 3.92Å; I85-L95 HydrophobicContact CG1-CD2 4.32Å; I85-L95 HydrophobicContact CG2-CD2 4.35Å; I85-A98 HydrophobicContact CD1-CB 4.02Å; I85-A98 HydrophobicContact CG1-CB 3.92Å
86L89.3Confident88.7Confident86 Ų8684.2 Ų84.245%0.4548%0.477SS..EExtended strand (participates in β ladder)trans-122141.7179-58.7171.4000110.1V93L86-V93 HydrophobicContact CB-CG2 3.77Å; L86-V93 PolarHBondContact N-O 2.84Å; L86-V93 WeakPolarHBondContact O-CG2 3.27Å; L86-V93 PolarHBondContact O-N 2.97Å
87V89.4Confident88.8Confident108 Ų10882.9 Ų82.966%0.65546%0.461SS*.EExtended strand (participates in β ladder)trans-102.4121.7172.7-176.10000108.5
88R82Confident88.8Confident167 Ų16783.1 Ų83.163%0.6346%0.464SS*.EExtended strand (participates in β ladder)trans-134.1119.5178-67.2-173.6178-150.6-0.2110Q90 N91R88-Q90 VanDerWaalsContact C-N 3.31Å; R88-Q90 PolarHBondContact O-N 3.41Å; R88-N91 PolarHBondContact N-O 3.17Å; R88-N91 WeakPolarHBondContact O-CA 2.96Å; R88-N91 WeakPolarHBondContact O-CB 3.32Å; R88-N91 PolarHBondContact O-N 3.33Å
89N78.1Confident89Confident156 Ų15684 Ų8483%0.83447%0.467SS*.THydrogen-bonded Turntrans46.850.6177-61-11000113.1N91N89-N91 PolarHBondContact O-N 3.34Å; N89-N91 VanDerWaalsContact O-N 3.09Å
90Q83.5Confident89.2Confident190 Ų19076.1 Ų76.189%0.88843%0.433SS*.THydrogen-bonded Turntrans66.7-2.8-175.8-50.2177.77.400116R88R88-Q90 VanDerWaalsContact C-N 3.31Å; R88-Q90 PolarHBondContact O-N 3.41Å
91N78.7Confident89.5Confident112 Ų11272.5 Ų72.560%0.59942%0.415SS*.EExtended strand (participates in β ladder)trans-92.1133.6172.3-65.5-48.2000111R88 N89R88-N91 PolarHBondContact N-O 3.17Å; R88-N91 WeakPolarHBondContact O-CA 2.96Å; R88-N91 WeakPolarHBondContact O-CB 3.32Å; R88-N91 PolarHBondContact O-N 3.33Å; N89-N91 PolarHBondContact O-N 3.34Å; N89-N91 VanDerWaalsContact O-N 3.09Å
92I87.2Confident89.8Confident102 Ų10278.7 Ų78.752%0.52344%0.437SS..EExtended strand (participates in β ladder)trans-94.5122.3173.4-55.2176.9000108.4I85 L95I85-I92 HydrophobicContact CG2-CG2 3.66Å; I92-L95 HydrophobicContact CB-CD1 4.47Å; I92-L95 HydrophobicContact CG2-CD1 3.99Å; I92-L95 HydrophobicContact CG2-CD2 4.11Å; I92-L95 HydrophobicContact CG2-CG 3.85Å
93V86.9Confident90.1Very high65 Ų6578.1 Ų78.139%0.39443%0.427SS..EExtended strand (participates in β ladder)trans-116.1150.8176.8-58.80000110.5I85 L86I85-V93 WeakPolarHBondContact CA-O 3.48Å; L86-V93 HydrophobicContact CB-CG2 3.77Å; L86-V93 PolarHBondContact N-O 2.84Å; L86-V93 WeakPolarHBondContact O-CG2 3.27Å; L86-V93 PolarHBondContact O-N 2.97Å
94G91.2Very high90.5Very high25 Ų2575.2 Ų75.226%0.25840%0.398SS..  trans96-2.6174.900000116T96 T97 A98G94-T96 VanDerWaalsContact C-N 3.34Å; G94-T96 PolarHBondContact O-N 3.42Å; G94-T97 PolarHBondContact O-N 3.02Å; G94-A98 PolarHBondContact O-N 3.13Å
95L92.8Very high91Very high101 Ų10172.8 Ų72.853%0.52938%0.384SS..Hα-helixtrans-53.9-45.9178.1-68.7172.1000113I85 I92 A98 A99I85-L95 HydrophobicContact CD1-CD2 3.92Å; I85-L95 HydrophobicContact CG1-CD2 4.32Å; I85-L95 HydrophobicContact CG2-CD2 4.35Å; I92-L95 HydrophobicContact CB-CD1 4.47Å; I92-L95 HydrophobicContact CG2-CD1 3.99Å; I92-L95 HydrophobicContact CG2-CD2 4.11Å; I92-L95 HydrophobicContact CG2-CG 3.85Å; L95-A98 WeakPolarHBondContact O-CB 3.22Å; L95-A98 PolarHBondContact O-N 3.38Å; L95-A99 PolarHBondContact O-N 2.99Å
96T92.7Very high91.3Very high89 Ų8971.4 Ų71.455%0.54638%0.382SS..Hα-helixtrans-65.5-39.3176.9-49.10000112G94 A98 A99 D100 L130G94-T96 VanDerWaalsContact C-N 3.34Å; G94-T96 PolarHBondContact O-N 3.42Å; T96-A98 VanDerWaalsContact C-N 3.31Å; T96-A98 PolarHBondContact O-N 3.19Å; T96-A99 PolarHBondContact O-N 3.48Å; T96-D100 WeakPolarHBondContact O-CB 3.32Å; T96-D100 PolarHBondContact O-N 2.91Å; T96-L130 HydrophobicContact CG2-CD2 4.41Å
97T93.6Very high91.7Very high8 Ų867.6 Ų67.65%0.04936%0.363CS..Hα-helixtrans-65.4-37.2176.4-71.10000111.1R23 G29 A30 N84 G94 D100 I101R23-T97 PolarHBondContact NH2-OG1 3.48Å; G29-T97 VanDerWaalsContact O-CG2 3.23Å; G29-T97 WeakPolarHBondContact O-CG2 3.44Å; G29-T97 PolarHBondContact O-OG1 3.42Å; A30-T97 HydrophobicContact CB-CG2 3.71Å; N84-T97 HydrophobicContact CB-CG2 4.02Å; G94-T97 PolarHBondContact O-N 3.02Å; T97-D100 PolarHBondContact O-N 3.48Å; T97-I101 HydrophobicContact CG2-CD1 3.94Å; T97-I101 WeakPolarHBondContact O-CB 3.32Å; T97-I101 VanDerWaalsContact O-CG1 3.3Å; T97-I101 WeakPolarHBondContact O-CG1 3.24Å; T97-I101 PolarHBondContact O-N 2.81Å
98A95.5Very high92.1Very high13 Ų1362.5 Ų62.511%0.10733%0.331CS..Hα-helixtrans-63.5-45.6174.400000112G81 I85 G94 L95 T96 W102G81-A98 VanDerWaalsContact O-CB 3.25Å; G81-A98 WeakPolarHBondContact O-CB 3.29Å; I85-A98 HydrophobicContact CD1-CB 4.02Å; I85-A98 HydrophobicContact CG1-CB 3.92Å; G94-A98 PolarHBondContact O-N 3.13Å; L95-A98 WeakPolarHBondContact O-CB 3.22Å; L95-A98 PolarHBondContact O-N 3.38Å; T96-A98 VanDerWaalsContact C-N 3.31Å; T96-A98 PolarHBondContact O-N 3.19Å; A98-W102 PolarHBondContact O-N 3.38Å; A98-W102 VanDerWaalsContact O-N 3.13Å
99A95.8Very high92.9Very high56 Ų5655.4 Ų55.446%0.46331%0.306SS..Hα-helixtrans-64.3-41.5176.600000112.5L95 T96 W102 V103L95-A99 PolarHBondContact O-N 2.99Å; T96-A99 PolarHBondContact O-N 3.48Å; A99-W102 WeakPolarHBondContact O-CB 3.42Å; A99-W102 PolarHBondContact O-N 3.5Å; A99-V103 WeakPolarHBondContact O-CG2 3.19Å; A99-V103 PolarHBondContact O-N 2.74Å
100D96.1Very high93.9Very high6 Ų649.7 Ų49.73%0.03228%0.276CS..Hα-helixtrans-62.7-44.7178.1179.839.6000112.3I19 R23 H35 T96 T97 W102 V103 T104I19-D100 WeakPolarHBondContact CG2-OD1 3.41Å; R23-D100 WeakPolarHBondContact CD-OD2 3.12Å; R23-D100 WeakPolarHBondContact CG-OD2 3.49Å; R23-D100 IonicContact CZ-OD2 3.29Å; R23-D100 IonicContact NE-OD2 3.51Å; R23-D100 PolarHBondContact NE-OD2 3.02Å; H35-D100 IonicContact CE1-OD2 3.44Å; H35-D100 IonicContact NE2-OD1 3.63Å; H35-D100 IonicContact NE2-OD2 2.61Å; H35-D100 PolarHBondContact NE2-OD2 3.2Å; T96-D100 WeakPolarHBondContact O-CB 3.32Å; T96-D100 PolarHBondContact O-N 2.91Å; T97-D100 PolarHBondContact O-N 3.48Å; D100-W102 VanDerWaalsContact C-N 3.29Å; D100-W102 PolarHBondContact O-N 2.86Å; D100-V103 PolarHBondContact O-N 2.97Å; D100-T104 VanDerWaalsContact O-CB 3.32Å; D100-T104 WeakPolarHBondContact O-CB 3.34Å; D100-T104 PolarHBondContact O-N 3.2Å; D100-T104 PolarHBondContact O-OG1 3.01Å
101I96.4Very high94.6Very high0 Ų040.8 Ų40.80%024%0.235CC..Hα-helixtrans-58.2-42171.5-77.4169.4000111.5A30 I38 V77 I80 N84 T97 T104 A105A30-I101 HydrophobicContact CB-CD1 3.9Å; A30-I101 HydrophobicContact CB-CG1 4.24Å; I38-I101 HydrophobicContact CD1-CB 4.31Å; I38-I101 HydrophobicContact CD1-CD1 4.46Å; I38-I101 HydrophobicContact CD1-CG1 3.9Å; I38-I101 HydrophobicContact CD1-CG2 3.84Å; V77-I101 HydrophobicContact CG1-CG2 3.72Å; I80-I101 HydrophobicContact CB-CG2 4.37Å; I80-I101 HydrophobicContact CG2-CD1 4.27Å; I80-I101 HydrophobicContact CG2-CG2 4Å; N84-I101 WeakPolarHBondContact ND2-CD1 3.19Å; T97-I101 HydrophobicContact CG2-CD1 3.94Å; T97-I101 WeakPolarHBondContact O-CB 3.32Å; T97-I101 VanDerWaalsContact O-CG1 3.3Å; T97-I101 WeakPolarHBondContact O-CG1 3.24Å; T97-I101 PolarHBondContact O-N 2.81Å; I101-T104 WeakPolarHBondContact O-CB 3.47Å; I101-T104 PolarHBondContact O-N 2.94Å; I101-A105 PolarHBondContact O-N 2.69Å
102W95.8Very high95.5Very high135 Ų13535.5 Ų35.551%0.51121%0.206SC..Hα-helixtrans-63.4-46.8179-173.185.3000112.1V77 A98 A99 D100 T104 A105 A106V77-W102 HydrophobicContact CG1-CB 4.45Å; A98-W102 PolarHBondContact O-N 3.38Å; A98-W102 VanDerWaalsContact O-N 3.13Å; A99-W102 WeakPolarHBondContact O-CB 3.42Å; A99-W102 PolarHBondContact O-N 3.5Å; D100-W102 VanDerWaalsContact C-N 3.29Å; D100-W102 PolarHBondContact O-N 2.86Å; W102-T104 VanDerWaalsContact C-N 3.35Å; W102-T104 PolarHBondContact O-N 3.38Å; W102-A105 PolarHBondContact O-N 3.34Å; W102-A106 PolarHBondContact O-N 2.98Å
103V97.4Very high96Very high46 Ų4631.2 Ų31.228%0.27919%0.185SC..Hα-helixtrans-65.6-38.6176.1176.10000111.5A99 D100 A105 A106 I107 T126A99-V103 WeakPolarHBondContact O-CG2 3.19Å; A99-V103 PolarHBondContact O-N 2.74Å; D100-V103 PolarHBondContact O-N 2.97Å; V103-A105 VanDerWaalsContact C-N 3.32Å; V103-A105 PolarHBondContact O-N 3.4Å; V103-A106 WeakPolarHBondContact O-CB 3.35Å; V103-A106 PolarHBondContact O-N 3.07Å; V103-A106 VanDerWaalsContact O-N 3.12Å; V103-I107 HydrophobicContact CG1-CD1 3.93Å; V103-I107 HydrophobicContact CG1-CG1 4.43Å; V103-I107 WeakPolarHBondContact O-CG1 3.31Å; V103-I107 PolarHBondContact O-N 3.04Å; V103-T126 HydrophobicContact CG1-CG2 4.13Å; V103-T126 WeakPolarHBondContact CG1-OG1 3.48Å
104T97.9Very high96.5Very high0 Ų029.1 Ų29.10%018%0.177CC..Hα-helixtrans-59.1-42.9176.8-62.50000112C16 H35 I38 D100 I101 W102 I107 G108C16-T104 HydrophobicContact CB-CG2 3.64Å; H35-T104 HydrophobicContact CB-CG2 4.14Å; H35-T104 PolarHBondContact CD2-OG1 3.35Å; I38-T104 HydrophobicContact CB-CG2 4.27Å; I38-T104 HydrophobicContact CG2-CG2 4Å; D100-T104 VanDerWaalsContact O-CB 3.32Å; D100-T104 WeakPolarHBondContact O-CB 3.34Å; D100-T104 PolarHBondContact O-N 3.2Å; D100-T104 PolarHBondContact O-OG1 3.01Å; I101-T104 WeakPolarHBondContact O-CB 3.47Å; I101-T104 PolarHBondContact O-N 2.94Å; W102-T104 VanDerWaalsContact C-N 3.35Å; W102-T104 PolarHBondContact O-N 3.38Å; T104-I107 PolarHBondContact O-N 3.28Å; T104-G108 PolarHBondContact O-N 3.12Å
105A98.1Very high96.7Very high1 Ų132.8 Ų32.81%0.00819%0.189CC..Hα-helixtrans-64.7-40.4174.900000112.4I38 S42 V77 I101 W102 V103 I107 G108 M109I38-A105 HydrophobicContact CG2-CB 3.77Å; S42-A105 VanDerWaalsContact CB-O 3.26Å; S42-A105 WeakPolarHBondContact CB-O 3.28Å; S42-A105 WeakPolarHBondContact OG-CA 3.42Å; S42-A105 WeakPolarHBondContact OG-CB 3.49Å; V77-A105 HydrophobicContact CB-CB 4.09Å; V77-A105 HydrophobicContact CG1-CB 3.77Å; V77-A105 HydrophobicContact CG2-CB 3.4Å; I101-A105 PolarHBondContact O-N 2.69Å; W102-A105 PolarHBondContact O-N 3.34Å; V103-A105 VanDerWaalsContact C-N 3.32Å; V103-A105 PolarHBondContact O-N 3.4Å; A105-I107 PolarHBondContact O-N 3.22Å; A105-G108 PolarHBondContact O-N 2.61Å; A105-M109 PolarHBondContact O-N 3.42Å
106A98.1Very high97Very high33 Ų3331.2 Ų31.227%0.27318%0.176SC..Hα-helixtrans-60-45.5175.600000111.6W102 V103 G108 M109 V110W102-A106 PolarHBondContact O-N 2.98Å; V103-A106 WeakPolarHBondContact O-CB 3.35Å; V103-A106 PolarHBondContact O-N 3.07Å; V103-A106 VanDerWaalsContact O-N 3.12Å; A106-G108 PolarHBondContact O-N 3.29Å; A106-M109 PolarHBondContact O-N 3Å; A106-V110 VanDerWaalsContact O-CG2 3.27Å; A106-V110 WeakPolarHBondContact O-CG2 3.4Å; A106-V110 PolarHBondContact O-N 3.46Å
107I98.6Very high97.2Very high7 Ų733.9 Ų33.94%0.03618%0.183CC..Hα-helixtrans-58.8-47174.8-70.5164000110.9A15 I19 V103 T104 A105 M109 V110 I111 S123A15-I107 HydrophobicContact CB-CG2 4.21Å; I19-I107 HydrophobicContact CD1-CD1 3.48Å; I19-I107 VanDerWaalsContact CD1-CD1 3.48Å; V103-I107 HydrophobicContact CG1-CD1 3.93Å; V103-I107 HydrophobicContact CG1-CG1 4.43Å; V103-I107 WeakPolarHBondContact O-CG1 3.31Å; V103-I107 PolarHBondContact O-N 3.04Å; T104-I107 PolarHBondContact O-N 3.28Å; A105-I107 PolarHBondContact O-N 3.22Å; I107-M109 VanDerWaalsContact C-N 3.34Å; I107-M109 PolarHBondContact O-N 2.85Å; I107-V110 PolarHBondContact O-N 3.25Å; I107-I111 HydrophobicContact CG2-CD1 3.82Å; I107-I111 WeakPolarHBondContact O-CG1 3.25Å; I107-I111 PolarHBondContact O-N 3.44Å; I107-S123 VanDerWaalsContact CG2-OG 3.23Å; I107-S123 WeakPolarHBondContact CG2-OG 3.49Å
108G98.5Very high97.4Very high0 Ų038 Ų380%020%0.204CC..Hα-helixtrans-55.9-46.8175.500000112.4G39 A43 T104 A105 A106 G112G39-G108 WeakPolarHBondContact O-CA 3.23Å; A43-G108 VanDerWaalsContact CA-O 3.24Å; A43-G108 WeakPolarHBondContact CA-O 3.36Å; A43-G108 VanDerWaalsContact CB-O 3.25Å; A43-G108 WeakPolarHBondContact CB-O 3.44Å; T104-G108 PolarHBondContact O-N 3.12Å; A105-G108 PolarHBondContact O-N 2.61Å; A106-G108 PolarHBondContact O-N 3.29Å; G108-G112 PolarHBondContact O-N 3.4Å
109M98.3Very high97.5Very high19 Ų1937.3 Ų37.39%0.09420%0.198CC..Hα-helixtrans-62.5-46.1175.3-75.3-171.4-73.200112.5M46 A70 V73 V74 A105 A106 I107 I111 G112 S113M46-M109 HydrophobicContact CB-CB 4.31Å; M46-M109 HydrophobicContact CB-CG 4.33Å; M46-M109 HydrophobicContact CE-CB 3.85Å; M46-M109 HydrophobicContact CE-CG 4.25Å; M46-M109 HydrophobicContact CE-SD 4.32Å; M46-M109 VanDerWaalsContact CG-O 3.29Å; M46-M109 WeakPolarHBondContact CG-O 3.47Å; A70-M109 HydrophobicContact CB-SD 4.42Å; V73-M109 HydrophobicContact CB-CE 4.43Å; V73-M109 HydrophobicContact CB-SD 3.72Å; V73-M109 HydrophobicContact CG1-CE 4.11Å; V73-M109 HydrophobicContact CG1-CG 4.17Å; V73-M109 HydrophobicContact CG1-SD 3.78Å; V73-M109 HydrophobicContact CG2-SD 4.32Å; V74-M109 HydrophobicContact CG2-CE 3.78Å; V74-M109 HydrophobicContact CG2-SD 4.45Å; A105-M109 PolarHBondContact O-N 3.42Å; A106-M109 PolarHBondContact O-N 3Å; I107-M109 VanDerWaalsContact C-N 3.34Å; I107-M109 PolarHBondContact O-N 2.85Å; M109-I111 VanDerWaalsContact C-N 3.33Å; M109-I111 PolarHBondContact O-N 3.23Å; M109-G112 CarbonylContact O-C 3.59Å; M109-G112 PolarHBondContact O-N 3.3Å; M109-S113 PolarHBondContact O-N 2.96Å
110V98.3Very high97.6Very high35 Ų3539.2 Ų39.221%0.21220%0.2CC..Hα-helixtrans-58.7-46.6180169.50000110.6A106 I107 S113 M115 L118 G119A106-V110 VanDerWaalsContact O-CG2 3.27Å; A106-V110 WeakPolarHBondContact O-CG2 3.4Å; A106-V110 PolarHBondContact O-N 3.46Å; I107-V110 PolarHBondContact O-N 3.25Å; V110-S113 PolarHBondContact O-N 2.86Å; V110-S113 PolarHBondContact O-OG 3.48Å; V110-M115 HydrophobicContact CG1-CB 3.88Å; V110-M115 WeakPolarHBondContact CG1-O 3.38Å; V110-M115 PolarHBondContact O-N 2.88Å; V110-L118 HydrophobicContact CG1-CB 3.8Å; V110-L118 HydrophobicContact CG1-CD2 4.09Å; V110-L118 HydrophobicContact CG1-CG 3.94Å; V110-L118 HydrophobicContact CG2-CD2 4.49Å; V110-G119 VanDerWaalsContact CG1-N 3.3Å
111I98.5Very high97.7Very high4 Ų445.5 Ų45.52%0.02122%0.224CC..Hα-helixtrans-65.4-44.1175.8-64.4170.7000110.9R8 L11 A12 A15 I107 M109 S113 G114 Y116R8-I111 HydrophobicContact CB-CG2 4.44Å; R8-I111 WeakPolarHBondContact CG-O 3.3Å; R8-I111 VanDerWaalsContact O-CG2 3.26Å; R8-I111 WeakPolarHBondContact O-CG2 3.23Å; L11-I111 HydrophobicContact CB-CG2 3.81Å; A12-I111 HydrophobicContact CB-CB 4.32Å; A12-I111 HydrophobicContact CB-CD1 4.45Å; A12-I111 HydrophobicContact CB-CG2 4.11Å; A15-I111 HydrophobicContact CB-CD1 3.64Å; I107-I111 HydrophobicContact CG2-CD1 3.82Å; I107-I111 WeakPolarHBondContact O-CG1 3.25Å; I107-I111 PolarHBondContact O-N 3.44Å; M109-I111 VanDerWaalsContact C-N 3.33Å; M109-I111 PolarHBondContact O-N 3.23Å; I111-S113 PolarHBondContact O-N 3.27Å; I111-G114 PolarHBondContact O-N 3.37Å; I111-Y116 HydrophobicContact CG2-CD1 4.39Å
112G97.9Very high97.8Very high0 Ų046.7 Ų46.70%024%0.236CC..Hα-helixtrans-58.4-31.5175.900000113.6R8 I47 G108 M109 G114R8-G112 WeakPolarHBondContact CD-O 3.39Å; R8-G112 PolarHBondContact NH1-O 2.82Å; I47-G112 VanDerWaalsContact CG1-O 3.31Å; I47-G112 WeakPolarHBondContact CG1-O 3.38Å; G108-G112 PolarHBondContact O-N 3.4Å; M109-G112 CarbonylContact O-C 3.59Å; M109-G112 PolarHBondContact O-N 3.3Å; G112-G114 VanDerWaalsContact C-N 3.26Å; G112-G114 PolarHBondContact O-N 2.83Å
113S97.2Very high97.9Very high12 Ų1240.6 Ų40.68%0.08421%0.214CC..Hα-helixtrans-72-2017781.40000113.2M46 K50 Y51 M109 V110 I111 M115M46-S113 VanDerWaalsContact CG-N 3.34Å; K50-S113 PolarHBondContact NZ-O 2.94Å; Y51-S113 PolarHBondContact OH-O 3Å; M109-S113 PolarHBondContact O-N 2.96Å; V110-S113 PolarHBondContact O-N 2.86Å; V110-S113 PolarHBondContact O-OG 3.48Å; I111-S113 PolarHBondContact O-N 3.27Å; S113-M115 WeakPolarHBondContact OG-CG 3.46Å; S113-M115 PolarHBondContact OG-N 3.11Å
114G97.1Very high97.9Very high21 Ų2141.7 Ų41.722%0.21622%0.221CC..THydrogen-bonded Turntrans99.52.1-173.800000114.6I111 G112 Y116I111-G114 PolarHBondContact O-N 3.37Å; G112-G114 VanDerWaalsContact C-N 3.26Å; G112-G114 PolarHBondContact O-N 2.83Å; G114-Y116 VanDerWaalsContact C-N 3.27Å; G114-Y116 WeakPolarHBondContact O-CD2 3.32Å; G114-Y116 PolarHBondContact O-N 2.91Å
115M97.3Very high97.9Very high103 Ų10346 Ų4651%0.50724%0.242SC..  trans-83.465.8180-65.4175.174.800111.4V110 S113 E117 L118 G119V110-M115 HydrophobicContact CG1-CB 3.88Å; V110-M115 WeakPolarHBondContact CG1-O 3.38Å; V110-M115 PolarHBondContact O-N 2.88Å; S113-M115 WeakPolarHBondContact OG-CG 3.46Å; S113-M115 PolarHBondContact OG-N 3.11Å; M115-E117 PolarHBondContact O-N 3.27Å; M115-L118 HydrophobicContact CB-CB 4.34Å; M115-L118 HydrophobicContact CE-CD2 3.57Å; M115-L118 PolarHBondContact O-N 3.34Å; M115-G119 PolarHBondContact O-N 2.97Å
116Y97.4Very high97.9Very high68 Ų6846.9 Ų46.927%0.26725%0.247SC..Hα-helixtrans-58.4-46.1-170.6-54.8-61000114R8 L11 I111 G114 L118 G119 I120R8-Y116 HydrophobicContact CG-CE1 3.63Å; R8-Y116 WeakPolarHBondContact CG-OH 3.31Å; R8-Y116 PolarHBondContact NE-OH 3.28Å; R8-Y116 VanDerWaalsContact NE-OH 3.11Å; L11-Y116 HydrophobicContact CD1-CD1 3.69Å; L11-Y116 HydrophobicContact CD1-CE1 3.82Å; I111-Y116 HydrophobicContact CG2-CD1 4.39Å; G114-Y116 VanDerWaalsContact C-N 3.27Å; G114-Y116 WeakPolarHBondContact O-CD2 3.32Å; G114-Y116 PolarHBondContact O-N 2.91Å; Y116-L118 VanDerWaalsContact C-N 3.35Å; Y116-L118 PolarHBondContact O-N 2.59Å; Y116-G119 PolarHBondContact O-N 2.78Å; Y116-G119 VanDerWaalsContact O-N 3.14Å; Y116-I120 WeakPolarHBondContact O-CG1 3.03Å; Y116-I120 PolarHBondContact O-N 3.33Å
117E97.2Very high97.8Very high145 Ų14547.7 Ų47.768%0.67825%0.247SC*.Hα-helixtrans-57.6-48.4-179.9-65.8-177.9178.900111.2M115 G119 I120 Y121M115-E117 PolarHBondContact O-N 3.27Å; E117-G119 VanDerWaalsContact C-N 3.3Å; E117-G119 PolarHBondContact O-N 3.37Å; E117-I120 PolarHBondContact O-N 3.13Å; E117-Y121 HydrophobicContact CB-CD2 4.38Å; E117-Y121 HydrophobicContact CB-CE2 4.18Å; E117-Y121 WeakPolarHBondContact O-CB 3.39Å; E117-Y121 WeakPolarHBondContact O-CD2 3.41Å; E117-Y121 PolarHBondContact O-N 3.21Å
118L98Very high97.7Very high93 Ų9351.8 Ų51.849%0.48727%0.268SS..Hα-helixtrans-64.1-36.7178.5-17263.4000111.9V110 M115 Y116 G122V110-L118 HydrophobicContact CG1-CB 3.8Å; V110-L118 HydrophobicContact CG1-CD2 4.09Å; V110-L118 HydrophobicContact CG1-CG 3.94Å; V110-L118 HydrophobicContact CG2-CD2 4.49Å; M115-L118 HydrophobicContact CB-CB 4.34Å; M115-L118 HydrophobicContact CE-CD2 3.57Å; M115-L118 PolarHBondContact O-N 3.34Å; Y116-L118 VanDerWaalsContact C-N 3.35Å; Y116-L118 PolarHBondContact O-N 2.59Å; L118-G122 PolarHBondContact O-N 3.49Å
119G98.2Very high97.6Very high0 Ų055.7 Ų55.70%029%0.292CS..Hα-helixtrans-66.5-42.4176.300000112.8V110 M115 Y116 E117 S123V110-G119 VanDerWaalsContact CG1-N 3.3Å; M115-G119 PolarHBondContact O-N 2.97Å; Y116-G119 PolarHBondContact O-N 2.78Å; Y116-G119 VanDerWaalsContact O-N 3.14Å; E117-G119 VanDerWaalsContact C-N 3.3Å; E117-G119 PolarHBondContact O-N 3.37Å; G119-S123 WeakPolarHBondContact O-CB 3.15Å; G119-S123 PolarHBondContact O-N 3.41Å; G119-S123 PolarHBondContact O-OG 3.36Å
120I97.7Very high97.3Very high95 Ų9555.8 Ų55.849%0.48729%0.293SS..Hα-helixtrans-65.6-49.9176.1-68.1166.1000110Y116 E117 G122 S123 V124Y116-I120 WeakPolarHBondContact O-CG1 3.03Å; Y116-I120 PolarHBondContact O-N 3.33Å; E117-I120 PolarHBondContact O-N 3.13Å; I120-G122 PolarHBondContact O-N 3.4Å; I120-S123 WeakPolarHBondContact O-CB 3.3Å; I120-S123 PolarHBondContact O-N 3.07Å; I120-S123 VanDerWaalsContact O-N 3.15Å; I120-V124 HydrophobicContact CG2-CG2 4.48Å; I120-V124 WeakPolarHBondContact O-CG2 3.14Å; I120-V124 PolarHBondContact O-N 3.4Å
121Y98Very high97Very high138 Ų13857.4 Ų57.454%0.54130%0.298SS..Hα-helixtrans-57.1-49.3176.2-74.2-41000111.3E117 S123 V124 M125E117-Y121 HydrophobicContact CB-CD2 4.38Å; E117-Y121 HydrophobicContact CB-CE2 4.18Å; E117-Y121 WeakPolarHBondContact O-CB 3.39Å; E117-Y121 WeakPolarHBondContact O-CD2 3.41Å; E117-Y121 PolarHBondContact O-N 3.21Å; Y121-S123 PolarHBondContact O-N 3.12Å; Y121-V124 PolarHBondContact O-N 2.91Å; Y121-M125 VanDerWaalsContact CB-CE 3.4Å; Y121-M125 HydrophobicContact CD1-CE 4.04Å; Y121-M125 HydrophobicContact CG-CE 4.05Å; Y121-M125 WeakPolarHBondContact O-CB 3.31Å; Y121-M125 WeakPolarHBondContact O-CE 3.2Å; Y121-M125 PolarHBondContact O-N 3.27Å; Y121-M125 VanDerWaalsContact O-SD 3.37Å
122G98.2Very high96.5Very high25 Ų2561.1 Ų61.126%0.25832%0.321SS..Hα-helixtrans-55.5-40.3176.300000112.9L118 I120 T126L118-G122 PolarHBondContact O-N 3.49Å; I120-G122 PolarHBondContact O-N 3.4Å; G122-T126 WeakPolarHBondContact O-CB 2.94Å; G122-T126 PolarHBondContact O-N 3.4Å; G122-T126 PolarHBondContact O-OG1 3.39Å
123S98.1Very high96Very high8 Ų867 Ų676%0.05635%0.347CS..Hα-helixtrans-67.9-46.2178.7-53.50000112.4A15 I107 G119 I120 Y121 T126 L127A15-S123 WeakPolarHBondContact CB-OG 3.39Å; I107-S123 VanDerWaalsContact CG2-OG 3.23Å; I107-S123 WeakPolarHBondContact CG2-OG 3.49Å; G119-S123 WeakPolarHBondContact O-CB 3.15Å; G119-S123 PolarHBondContact O-N 3.41Å; G119-S123 PolarHBondContact O-OG 3.36Å; I120-S123 WeakPolarHBondContact O-CB 3.3Å; I120-S123 PolarHBondContact O-N 3.07Å; I120-S123 VanDerWaalsContact O-N 3.15Å; Y121-S123 PolarHBondContact O-N 3.12Å; S123-T126 PolarHBondContact O-N 3.4Å; S123-L127 WeakPolarHBondContact O-CG 3.29Å; S123-L127 PolarHBondContact O-N 3Å
124V97.9Very high95.3Very high69 Ų6968.9 Ų68.942%0.41835%0.354SS..Hα-helixtrans-61.6-45.7176.2172.50000110.6I120 Y121 T126 L127 L128I120-V124 HydrophobicContact CG2-CG2 4.48Å; I120-V124 WeakPolarHBondContact O-CG2 3.14Å; I120-V124 PolarHBondContact O-N 3.4Å; Y121-V124 PolarHBondContact O-N 2.91Å; V124-T126 VanDerWaalsContact C-N 3.3Å; V124-T126 PolarHBondContact O-N 3.15Å; V124-L127 PolarHBondContact O-N 2.92Å; V124-L128 HydrophobicContact CG1-CD1 3.98Å; V124-L128 HydrophobicContact CG1-CG 4.31Å; V124-L128 WeakPolarHBondContact O-CB 3.3Å; V124-L128 VanDerWaalsContact O-CG 3.3Å; V124-L128 WeakPolarHBondContact O-CG 3.37Å; V124-L128 PolarHBondContact O-N 3.18Å
125M97.7Very high94.5Very high90 Ų9071.9 Ų71.944%0.44336%0.362SS..Hα-helixtrans-63.7-37.3178.4-90.154.296.800111.9Y121 L128 V129Y121-M125 VanDerWaalsContact CB-CE 3.4Å; Y121-M125 HydrophobicContact CD1-CE 4.04Å; Y121-M125 HydrophobicContact CG-CE 4.05Å; Y121-M125 WeakPolarHBondContact O-CB 3.31Å; Y121-M125 WeakPolarHBondContact O-CE 3.2Å; Y121-M125 PolarHBondContact O-N 3.27Å; Y121-M125 VanDerWaalsContact O-SD 3.37Å; M125-L128 PolarHBondContact O-N 3.09Å; M125-L128 HydrophobicContact SD-CD1 4.42Å; M125-V129 VanDerWaalsContact O-CG2 3.31Å; M125-V129 WeakPolarHBondContact O-CG2 3.37Å; M125-V129 PolarHBondContact O-N 2.85Å
126T97.6Very high93.8Very high19 Ų1970.7 Ų70.712%0.11736%0.358CS..Hα-helixtrans-62.3-50174.8-56.70000110.8I19 V103 G122 S123 V124 L128 V129 L130I19-T126 HydrophobicContact CD1-CG2 3.85Å; I19-T126 HydrophobicContact CG1-CG2 4.19Å; I19-T126 HydrophobicContact CG2-CG2 4.23Å; V103-T126 HydrophobicContact CG1-CG2 4.13Å; V103-T126 WeakPolarHBondContact CG1-OG1 3.48Å; G122-T126 WeakPolarHBondContact O-CB 2.94Å; G122-T126 PolarHBondContact O-N 3.4Å; G122-T126 PolarHBondContact O-OG1 3.39Å; S123-T126 PolarHBondContact O-N 3.4Å; V124-T126 VanDerWaalsContact C-N 3.3Å; V124-T126 PolarHBondContact O-N 3.15Å; T126-L128 VanDerWaalsContact C-N 3.32Å; T126-L128 PolarHBondContact O-N 2.97Å; T126-V129 PolarHBondContact O-N 3.27Å; T126-L130 HydrophobicContact CG2-CD1 4.13Å; T126-L130 VanDerWaalsContact O-CG 3.3Å; T126-L130 WeakPolarHBondContact O-CG 3.27Å; T126-L130 PolarHBondContact O-N 3.47Å
127L97.1Very high92.7Very high51 Ų5170.3 Ų70.327%0.26736%0.363SS..Hα-helixtrans-59.6-41.6176.1-71.8169.8000112.2A18 I19 E22 S123 V124 L130 E131A18-L127 HydrophobicContact CB-CD1 4.2Å; I19-L127 HydrophobicContact CG1-CD2 4.2Å; I19-L127 HydrophobicContact CG1-CG 4.2Å; E22-L127 HydrophobicContact CB-CD2 3.98Å; E22-L127 HydrophobicContact CG-CD2 4.38Å; S123-L127 WeakPolarHBondContact O-CG 3.29Å; S123-L127 PolarHBondContact O-N 3Å; V124-L127 PolarHBondContact O-N 2.92Å; L127-L130 PolarHBondContact O-N 2.96Å; L127-E131 VanDerWaalsContact O-CB 3.28Å; L127-E131 WeakPolarHBondContact O-CB 3.22Å; L127-E131 PolarHBondContact O-N 3.4Å
128L95.9Very high91.3Very high92 Ų9269.2 Ų69.248%0.48236%0.356SS..Hα-helixtrans-62.6-43.6176.3-73.8174.3000111.9V124 M125 T126 E131 V132V124-L128 HydrophobicContact CG1-CD1 3.98Å; V124-L128 HydrophobicContact CG1-CG 4.31Å; V124-L128 WeakPolarHBondContact O-CB 3.3Å; V124-L128 VanDerWaalsContact O-CG 3.3Å; V124-L128 WeakPolarHBondContact O-CG 3.37Å; V124-L128 PolarHBondContact O-N 3.18Å; M125-L128 PolarHBondContact O-N 3.09Å; M125-L128 HydrophobicContact SD-CD1 4.42Å; T126-L128 VanDerWaalsContact C-N 3.32Å; T126-L128 PolarHBondContact O-N 2.97Å; L128-E131 PolarHBondContact O-N 3.14Å; L128-V132 VanDerWaalsContact O-CB 3.22Å; L128-V132 WeakPolarHBondContact O-CB 3.41Å; L128-V132 WeakPolarHBondContact O-CG2 3.45Å; L128-V132 PolarHBondContact O-N 3.35Å
129V95.3Very high90Very high83 Ų8373.3 Ų73.350%0.50337%0.365SS..Hα-helixtrans-61.8-47.3175.9168.80000110.2M125 T126 E131 F133M125-V129 VanDerWaalsContact O-CG2 3.31Å; M125-V129 WeakPolarHBondContact O-CG2 3.37Å; M125-V129 PolarHBondContact O-N 2.85Å; T126-V129 PolarHBondContact O-N 3.27Å; V129-E131 VanDerWaalsContact C-N 3.34Å; V129-E131 PolarHBondContact O-N 3.24Å; V129-F133 HydrophobicContact CG1-CD2 3.94Å; V129-F133 HydrophobicContact CG1-CE2 4.23Å; V129-F133 WeakPolarHBondContact O-CB 3.36Å; V129-F133 VanDerWaalsContact O-CD2 3.29Å; V129-F133 WeakPolarHBondContact O-CD2 3.37Å; V129-F133 PolarHBondContact O-N 2.87Å; V129-F133 VanDerWaalsContact O-N 3.09Å
130L93.4Very high88.7Confident20 Ų2079 Ų7911%0.10540%0.395CS..Hα-helixtrans-61.9-41.4179.4-65.7173.7000112.1I19 E22 T96 T126 L127 H134I19-L130 HydrophobicContact CG2-CD1 4.01Å; E22-L130 WeakPolarHBondContact OE1-CB 3.47Å; T96-L130 HydrophobicContact CG2-CD2 4.41Å; T126-L130 HydrophobicContact CG2-CD1 4.13Å; T126-L130 VanDerWaalsContact O-CG 3.3Å; T126-L130 WeakPolarHBondContact O-CG 3.27Å; T126-L130 PolarHBondContact O-N 3.47Å; L127-L130 PolarHBondContact O-N 2.96Å; L130-H134 VanDerWaalsContact O-CB 3.24Å; L130-H134 WeakPolarHBondContact O-CB 3.43Å; L130-H134 PolarHBondContact O-N 3.45Å
131E90.7Very high87.2Confident69 Ų6980.3 Ų80.332%0.32240%0.4SS..Hα-helixtrans-72.4-51179.3-176.362.6-121.300113.2R26 L127 L128 V129 F133 H134 Q135R26-E131 IonicContact CZ-OE2 3.76Å; R26-E131 IonicContact NH2-OE1 3.76Å; R26-E131 PolarHBondContact NH2-OE1 2.95Å; R26-E131 IonicContact NH2-OE2 2.69Å; R26-E131 PolarHBondContact NH2-OE2 2.95Å; L127-E131 VanDerWaalsContact O-CB 3.28Å; L127-E131 WeakPolarHBondContact O-CB 3.22Å; L127-E131 PolarHBondContact O-N 3.4Å; L128-E131 PolarHBondContact O-N 3.14Å; V129-E131 VanDerWaalsContact C-N 3.34Å; V129-E131 PolarHBondContact O-N 3.24Å; E131-F133 PolarHBondContact O-N 3.29Å; E131-H134 WeakPolarHBondContact O-CB 3.28Å; E131-H134 PolarHBondContact O-N 3.49Å; E131-Q135 WeakPolarHBondContact O-CG 3.14Å; E131-Q135 PolarHBondContact O-N 2.79Å; E131-Q135 PolarHBondContact OE1-NE2 3.27Å
132V89.8Confident85.8Confident82 Ų8276.4 Ų76.450%0.49739%0.389SS..Hα-helixtrans-63-45.9-177170.70000110.5L128 H134 Q135 L136L128-V132 VanDerWaalsContact O-CB 3.22Å; L128-V132 WeakPolarHBondContact O-CB 3.41Å; L128-V132 WeakPolarHBondContact O-CG2 3.45Å; L128-V132 PolarHBondContact O-N 3.35Å; V132-H134 VanDerWaalsContact C-N 3.31Å; V132-H134 PolarHBondContact O-N 3.11Å; V132-Q135 PolarHBondContact O-N 3.32Å; V132-L136 VanDerWaalsContact O-CB 3.26Å; V132-L136 WeakPolarHBondContact O-CB 3.26Å; V132-L136 PolarHBondContact O-N 3.42Å
133F85.6Confident84.6Confident124 Ų12479.7 Ų79.754%0.54440%0.396SS..Hα-helixtrans-68.2-33.6178.5-83.1-93.9000111.7V129 E131 T137V129-F133 HydrophobicContact CG1-CD2 3.94Å; V129-F133 HydrophobicContact CG1-CE2 4.23Å; V129-F133 WeakPolarHBondContact O-CB 3.36Å; V129-F133 VanDerWaalsContact O-CD2 3.29Å; V129-F133 WeakPolarHBondContact O-CD2 3.37Å; V129-F133 PolarHBondContact O-N 2.87Å; V129-F133 VanDerWaalsContact O-N 3.09Å; E131-F133 PolarHBondContact O-N 3.29Å; F133-T137 WeakPolarHBondContact O-CB 3.44Å; F133-T137 PolarHBondContact O-N 2.88Å; F133-T137 PolarHBondContact O-OG1 3.04Å
134H82.9Confident83.6Confident51 Ų5184.5 Ų84.524%0.23642%0.421CS..Hα-helixtrans-59.2-53.9171.3179.494.1000110.8R26 L130 E131 V132 L136 T137 F138R26-H134 VanDerWaalsContact CZ-CG 3.42Å; R26-H134 PolarHBondContact NH1-CD2 3.34Å; R26-H134 PolarHBondContact NH1-CE1 3.21Å; R26-H134 PolarHBondContact NH1-ND1 2.88Å; R26-H134 PolarHBondContact NH1-NE2 3.42Å; L130-H134 VanDerWaalsContact O-CB 3.24Å; L130-H134 WeakPolarHBondContact O-CB 3.43Å; L130-H134 PolarHBondContact O-N 3.45Å; E131-H134 WeakPolarHBondContact O-CB 3.28Å; E131-H134 PolarHBondContact O-N 3.49Å; V132-H134 VanDerWaalsContact C-N 3.31Å; V132-H134 PolarHBondContact O-N 3.11Å; H134-L136 VanDerWaalsContact C-N 3.31Å; H134-L136 PolarHBondContact O-N 3.19Å; H134-T137 WeakPolarHBondContact O-CB 3.49Å; H134-T137 PolarHBondContact O-N 2.88Å; H134-F138 AromaticContact CD2-CD2 3.64Å; H134-F138 AromaticContact CD2-CE2 4Å; H134-F138 AromaticContact CE1-CD2 3.44Å; H134-F138 VanDerWaalsContact CE1-CD2 3.44Å; H134-F138 WeakPolarHBondContact CE1-CD2 3.21Å; H134-F138 AromaticContact CE1-CE2 2.96Å; H134-F138 WeakPolarHBondContact CE1-CE2 3.27Å; H134-F138 AromaticContact CE1-CZ 3.83Å; H134-F138 AromaticContact CG-CD2 3.94Å; H134-F138 AromaticContact ND1-CD2 3.79Å; H134-F138 AromaticContact ND1-CE2 3.54Å; H134-F138 AromaticContact NE2-CD2 3.32Å; H134-F138 VanDerWaalsContact NE2-CD2 3.32Å; H134-F138 WeakPolarHBondContact NE2-CD2 3.32Å; H134-F138 AromaticContact NE2-CE2 3.27Å; H134-F138 VanDerWaalsContact NE2-CE2 3.27Å; H134-F138 WeakPolarHBondContact NE2-CE2 3.33Å; H134-F138 WeakPolarHBondContact O-CD2 3.44Å; H134-F138 PolarHBondContact O-N 3.14Å
135Q81.1Confident83Confident84 Ų8483.6 Ų83.639%0.39341%0.41SS..Hα-helixtrans-61.5-40.3-179.8-67.8-176.737.400112.5E131 V132 F138 R139E131-Q135 WeakPolarHBondContact O-CG 3.14Å; E131-Q135 PolarHBondContact O-N 2.79Å; E131-Q135 PolarHBondContact OE1-NE2 3.27Å; V132-Q135 PolarHBondContact O-N 3.32Å; Q135-F138 PolarHBondContact O-N 3.39Å; Q135-R139 WeakPolarHBondContact O-CB 3.23Å; Q135-R139 WeakPolarHBondContact O-CG 3.4Å; Q135-R139 PolarHBondContact O-N 3.15Å
136L81.5Confident82.3Confident79 Ų7981.8 Ų81.841%0.41440%0.401SS..Hα-helixtrans-64.2-43.9177.8-170.164.6000111.1V132 H134 F138 R139 L140V132-L136 VanDerWaalsContact O-CB 3.26Å; V132-L136 WeakPolarHBondContact O-CB 3.26Å; V132-L136 PolarHBondContact O-N 3.42Å; H134-L136 VanDerWaalsContact C-N 3.31Å; H134-L136 PolarHBondContact O-N 3.19Å; L136-F138 PolarHBondContact O-N 3.05Å; L136-R139 PolarHBondContact O-N 3.29Å; L136-L140 HydrophobicContact CD1-CD1 3.53Å; L136-L140 HydrophobicContact CD1-CG 3.9Å; L136-L140 HydrophobicContact CD2-CD1 4.33Å; L136-L140 HydrophobicContact CG-CD1 3.65Å; L136-L140 HydrophobicContact CG-CG 4.21Å; L136-L140 VanDerWaalsContact O-CB 3.29Å; L136-L140 WeakPolarHBondContact O-CB 3.49Å; L136-L140 VanDerWaalsContact O-CG 3.32Å; L136-L140 WeakPolarHBondContact O-CG 3.26Å; L136-L140 PolarHBondContact O-N 3.3Å
137T73.9Confident81.9Confident60 Ų6080.9 Ų80.937%0.36840%0.395SS..Hα-helixtrans-60.3-46.7174.9-57.40000110.3F133 H134 R139 L140 M141F133-T137 WeakPolarHBondContact O-CB 3.44Å; F133-T137 PolarHBondContact O-N 2.88Å; F133-T137 PolarHBondContact O-OG1 3.04Å; H134-T137 WeakPolarHBondContact O-CB 3.49Å; H134-T137 PolarHBondContact O-N 2.88Å; T137-R139 VanDerWaalsContact C-N 3.28Å; T137-R139 PolarHBondContact O-N 3.3Å; T137-L140 PolarHBondContact O-N 2.68Å; T137-M141 HydrophobicContact CG2-CG 3.85Å; T137-M141 HydrophobicContact CG2-SD 3.24Å; T137-M141 WeakPolarHBondContact CG2-SD 3.45Å; T137-M141 VanDerWaalsContact O-CB 3.22Å; T137-M141 WeakPolarHBondContact O-CB 3.43Å; T137-M141 WeakPolarHBondContact O-CG 3.32Å; T137-M141 PolarHBondContact O-N 3.03Å
138F69.8Low81.5Confident122 Ų12282 Ų8254%0.53540%0.399SS..Hα-helixtrans-65.4-28.2178-92.1-89.4000113.6H134 Q135 L136 A192H134-F138 AromaticContact CD2-CD2 3.64Å; H134-F138 AromaticContact CD2-CE2 4Å; H134-F138 AromaticContact CE1-CD2 3.44Å; H134-F138 VanDerWaalsContact CE1-CD2 3.44Å; H134-F138 WeakPolarHBondContact CE1-CD2 3.21Å; H134-F138 AromaticContact CE1-CE2 2.96Å; H134-F138 WeakPolarHBondContact CE1-CE2 3.27Å; H134-F138 AromaticContact CE1-CZ 3.83Å; H134-F138 AromaticContact CG-CD2 3.94Å; H134-F138 AromaticContact ND1-CD2 3.79Å; H134-F138 AromaticContact ND1-CE2 3.54Å; H134-F138 AromaticContact NE2-CD2 3.32Å; H134-F138 VanDerWaalsContact NE2-CD2 3.32Å; H134-F138 WeakPolarHBondContact NE2-CD2 3.32Å; H134-F138 AromaticContact NE2-CE2 3.27Å; H134-F138 VanDerWaalsContact NE2-CE2 3.27Å; H134-F138 WeakPolarHBondContact NE2-CE2 3.33Å; H134-F138 WeakPolarHBondContact O-CD2 3.44Å; H134-F138 PolarHBondContact O-N 3.14Å; Q135-F138 PolarHBondContact O-N 3.39Å; L136-F138 PolarHBondContact O-N 3.05Å; F138-A192 WeakPolarHBondContact O-CB 3.31Å
139R70Confident81.3Confident179 Ų17977.7 Ų77.768%0.67538%0.376SS*.Hα-helixtrans-85.9-34177.7-74.2-178.1-177.8179.33.8113.3Q135 L136 T137Q135-R139 WeakPolarHBondContact O-CB 3.23Å; Q135-R139 WeakPolarHBondContact O-CG 3.4Å; Q135-R139 PolarHBondContact O-N 3.15Å; L136-R139 PolarHBondContact O-N 3.29Å; T137-R139 VanDerWaalsContact C-N 3.28Å; T137-R139 PolarHBondContact O-N 3.3Å
140L70.4Confident81Confident120 Ų12075.6 Ų75.663%0.62836%0.364SS*.Hα-helixtrans-96-28.2-173.2-64.7-175.9000113.8L136 T137L136-L140 HydrophobicContact CD1-CD1 3.53Å; L136-L140 HydrophobicContact CD1-CG 3.9Å; L136-L140 HydrophobicContact CD2-CD1 4.33Å; L136-L140 HydrophobicContact CG-CD1 3.65Å; L136-L140 HydrophobicContact CG-CG 4.21Å; L136-L140 VanDerWaalsContact O-CB 3.29Å; L136-L140 WeakPolarHBondContact O-CB 3.49Å; L136-L140 VanDerWaalsContact O-CG 3.32Å; L136-L140 WeakPolarHBondContact O-CG 3.26Å; L136-L140 PolarHBondContact O-N 3.3Å; T137-L140 PolarHBondContact O-N 2.68Å
141M66.6Low80.9Confident121 Ų12174.7 Ų74.760%0.59636%0.359SS*.SBendtrans-80.1127.8-177.8-70.9-169.362.500111.4T137T137-M141 HydrophobicContact CG2-CG 3.85Å; T137-M141 HydrophobicContact CG2-SD 3.24Å; T137-M141 WeakPolarHBondContact CG2-SD 3.45Å; T137-M141 VanDerWaalsContact O-CB 3.22Å; T137-M141 WeakPolarHBondContact O-CB 3.43Å; T137-M141 WeakPolarHBondContact O-CG 3.32Å; T137-M141 PolarHBondContact O-N 3.03Å
142N69.5Low80.8Confident57 Ų5774.2 Ų74.231%0.30536%0.361SS..PPolyproline II helixtrans-66.5139.4169.7-67.6-0.3000109.8Q189 L190 H191N142-Q189 HydrophobicContact CB-CB 4.42Å; N142-L190 CarbonylContact C-O 3.59Å; N142-L190 WeakPolarHBondContact CA-O 3.38Å; N142-L190 WeakPolarHBondContact CB-O 3.25Å; N142-H191 PolarHBondContact OD1-CE1 3.34Å; N142-H191 VanDerWaalsContact OD1-CE1 3.3Å; N142-H191 PolarHBondContact OD1-ND1 3.2Å
143K71.8Confident80.7Confident93 Ų9373.5 Ų73.540%0.40435%0.354SS..EExtended strand (participates in β ladder)trans-89129.2170.9-65.4-178.2-177.1173.90108.3Y145 L190K143-Y145 HydrophobicContact CB-CD2 4.13Å; K143-Y145 HydrophobicContact CB-CE2 3.48Å; K143-Y145 VanDerWaalsContact CB-CE2 3.48Å; K143-Y145 HydrophobicContact CD-CE2 4.14Å; K143-Y145 WeakPolarHBondContact CD-OH 3.48Å; K143-Y145 HydrophobicContact CG-CE2 4.47Å; K143-L190 PolarHBondContact N-O 3.19Å; K143-L190 PolarHBondContact O-N 2.55Å
144N78Confident80.7Confident110 Ų11070.3 Ų70.359%0.58836%0.356SS*.EExtended strand (participates in β ladder)trans-89.5130.4172.4-60-21.7000108.4I188 Q189N144-I188 CarbonylContact C-O 3.55Å; N144-I188 WeakPolarHBondContact CA-O 3.4Å; N144-Q189 VanDerWaalsContact OD1-CG 3.25Å; N144-Q189 WeakPolarHBondContact OD1-CG 3.46Å; N144-Q189 PolarHBondContact OD1-NE2 3.11Å
145Y83.6Confident81Confident49 Ų4970.2 Ų70.219%0.19236%0.357CS..EExtended strand (participates in β ladder)trans-125136.9175.6-69.1-84.5000109.4K143 I188 L190 I196K143-Y145 HydrophobicContact CB-CD2 4.13Å; K143-Y145 HydrophobicContact CB-CE2 3.48Å; K143-Y145 VanDerWaalsContact CB-CE2 3.48Å; K143-Y145 HydrophobicContact CD-CE2 4.14Å; K143-Y145 WeakPolarHBondContact CD-OH 3.48Å; K143-Y145 HydrophobicContact CG-CE2 4.47Å; Y145-I188 PolarHBondContact N-O 3.15Å; Y145-I188 PolarHBondContact O-N 3.05Å; Y145-L190 HydrophobicContact CD2-CB 4.34Å; Y145-L190 HydrophobicContact CD2-CD1 3.86Å; Y145-L190 HydrophobicContact CD2-CG 4.25Å; Y145-L190 HydrophobicContact CE2-CB 4.35Å; Y145-L190 HydrophobicContact CE2-CD1 4.01Å; Y145-I196 HydrophobicContact CD1-CB 4.48Å; Y145-I196 HydrophobicContact CD1-CD1 4.14Å; Y145-I196 HydrophobicContact CD1-CG1 3.95Å; Y145-I196 HydrophobicContact CD2-CD1 3.98Å; Y145-I196 HydrophobicContact CD2-CG1 4.4Å; Y145-I196 HydrophobicContact CE1-CB 4.02Å; Y145-I196 HydrophobicContact CE1-CG1 3.95Å; Y145-I196 HydrophobicContact CE1-CG2 4.02Å; Y145-I196 HydrophobicContact CE2-CB 4.09Å; Y145-I196 HydrophobicContact CE2-CD1 4.35Å; Y145-I196 HydrophobicContact CE2-CG1 4.39Å; Y145-I196 HydrophobicContact CG-CD1 3.86Å; Y145-I196 HydrophobicContact CG-CG1 4.18Å
146H84.6Confident81.2Confident52 Ų5266.8 Ų66.824%0.24134%0.342CS..EExtended strand (participates in β ladder)trans-92.8115.1169.6-163.579.9000108.8D187 I214 S215H146-D187 IonicContact CE1-OD1 3.55Å; H146-D187 IonicContact CG-OD1 3.04Å; H146-D187 IonicContact ND1-OD1 3.88Å; H146-D187 PolarHBondContact ND1-OD1 2.87Å; H146-D187 IonicContact ND1-OD2 2.97Å; H146-I214 WeakPolarHBondContact O-CA 3.45Å; H146-S215 PolarHBondContact O-N 2.69Å; H146-S215 VanDerWaalsContact O-N 3.07Å
147L88.7Confident81.5Confident0 Ų067.6 Ų67.60%035%0.35CS..EExtended strand (participates in β ladder)trans-108.7137.5178.6-67.5-174.6000110.7F163 A185 I186 I188 I196 L199 L200 L203 I214L147-F163 HydrophobicContact CD1-CZ 4.48Å; L147-A185 CarbonylContact O-C 3.59Å; L147-A185 WeakPolarHBondContact O-CA 3.24Å; L147-I186 HydrophobicContact CB-CG1 3.92Å; L147-I186 PolarHBondContact N-O 3.49Å; L147-I186 PolarHBondContact O-N 2.91Å; L147-I188 HydrophobicContact CD1-CD1 3.37Å; L147-I188 HydrophobicContact CD1-CG1 4.04Å; L147-I188 HydrophobicContact CD1-CG2 4.19Å; L147-I188 HydrophobicContact CG-CD1 3.97Å; L147-I188 HydrophobicContact CG-CG1 4.18Å; L147-I196 HydrophobicContact CD2-CD1 4.29Å; L147-L199 HydrophobicContact CD1-CD2 4.43Å; L147-L200 HydrophobicContact CD2-CD2 3.97Å; L147-L203 HydrophobicContact CD1-CD1 4.08Å; L147-I214 HydrophobicContact CD2-CG1 3.74Å
148Q89.5Confident82.3Confident75 Ų7568.2 Ų68.235%0.3536%0.357SS..EExtended strand (participates in β ladder)trans-109.5120.6165.4-71.9-178.8-8.100109A185 V212 S213 S215Q148-A185 HydrophobicContact CG-CB 4.22Å; Q148-V212 WeakPolarHBondContact O-CA 3.46Å; Q148-S213 PolarHBondContact N-O 3.48Å; Q148-S213 PolarHBondContact O-N 3.13Å; Q148-S215 WeakPolarHBondContact CG-OG 3.42Å; Q148-S215 PolarHBondContact NE2-OG 3.45Å
149L90.5Very high83.1Confident1 Ų162.9 Ų62.91%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-108.8125.8178.7-60.6169.9000108.6L151 M159 F163 V183 V184 I186 L203 V212L149-L151 HydrophobicContact CB-CD2 4.15Å; L149-L151 HydrophobicContact CB-CG 4.22Å; L149-M159 HydrophobicContact CD1-CG 3.87Å; L149-F163 HydrophobicContact CD1-CE2 3.79Å; L149-F163 HydrophobicContact CD1-CZ 4.24Å; L149-V183 CarbonylContact O-C 3.43Å; L149-V183 WeakPolarHBondContact O-CA 3.2Å; L149-V184 HydrophobicContact CB-CB 4.4Å; L149-V184 PolarHBondContact N-O 3.45Å; L149-V184 PolarHBondContact O-N 2.88Å; L149-I186 HydrophobicContact CD1-CD1 3.61Å; L149-I186 HydrophobicContact CD1-CG1 4.26Å; L149-L203 HydrophobicContact CD2-CD1 4.16Å; L149-V212 HydrophobicContact CD2-CB 4.16Å; L149-V212 HydrophobicContact CD2-CG1 3.63Å; L149-V212 HydrophobicContact CD2-CG2 3.72Å
150T90.2Very high84Confident39 Ų3956.1 Ų56.124%0.23931%0.311CS..EExtended strand (participates in β ladder)trans-97.9112.5168.2-47.80000107.4H181 E182 V183 K210 G211T150-H181 HydrophobicContact CG2-CB 4.28Å; T150-E182 CarbonylContact C-O 3.46Å; T150-E182 WeakPolarHBondContact CA-O 3.26Å; T150-V183 HydrophobicContact CG2-CG2 4.47Å; T150-K210 HydrophobicContact CG2-CB 4.01Å; T150-K210 WeakPolarHBondContact O-CA 3.34Å; T150-K210 WeakPolarHBondContact O-CB 3.45Å; T150-K210 PolarHBondContact O-N 3.33Å; T150-G211 PolarHBondContact N-O 2.91Å; T150-G211 PolarHBondContact O-N 3.29Å; T150-G211 VanDerWaalsContact O-N 3.13Å
151L90.9Very high84.9Confident1 Ų153.7 Ų53.71%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-111.1153.1-175.4-56.8-178.8000110.7L149 N155 M159 H181 E182 V184 G208 V209L149-L151 HydrophobicContact CB-CD2 4.15Å; L149-L151 HydrophobicContact CB-CG 4.22Å; L151-N155 HydrophobicContact CB-CB 4.4Å; L151-M159 HydrophobicContact CD1-CB 3.89Å; L151-M159 HydrophobicContact CD1-CG 4.13Å; L151-M159 HydrophobicContact CD2-CG 4.35Å; L151-M159 HydrophobicContact CD2-SD 4.5Å; L151-H181 CarbonylContact O-C 3.6Å; L151-H181 VanDerWaalsContact O-CA 3.26Å; L151-H181 WeakPolarHBondContact O-CA 3.39Å; L151-H181 VanDerWaalsContact O-CB 3.24Å; L151-H181 WeakPolarHBondContact O-CB 3.32Å; L151-E182 HydrophobicContact CB-CB 4.36Å; L151-E182 PolarHBondContact N-O 3.35Å; L151-E182 PolarHBondContact O-N 2.85Å; L151-V184 HydrophobicContact CD1-CB 4.44Å; L151-V184 HydrophobicContact CD1-CG2 3.64Å; L151-V184 HydrophobicContact CG-CG2 4.18Å; L151-G208 CarbonylContact C-O 3.51Å; L151-G208 VanDerWaalsContact CA-O 3.24Å; L151-G208 WeakPolarHBondContact CA-O 3.2Å; L151-V209 HydrophobicContact CD2-CB 4.33Å; L151-V209 HydrophobicContact CD2-CG2 3.75Å
152V89.1Confident86Confident59 Ų5949.8 Ų49.836%0.35828%0.277SS..  trans-70138.8164.1-1770000108.1G154 N155 G208 K210V152-G154 PolarHBondContact O-N 2.97Å; V152-N155 WeakPolarHBondContact O-CB 3.08Å; V152-N155 PolarHBondContact O-N 2.99Å; V152-N155 VanDerWaalsContact O-N 3.16Å; V152-N155 PolarHBondContact O-ND2 2.87Å; V152-G208 PolarHBondContact N-O 3.03Å; V152-K210 HydrophobicContact CG2-CD 4.25Å; V152-K210 HydrophobicContact CG2-CG 3.99Å
153N86.3Confident87Confident68 Ų6847.1 Ų47.136%0.36426%0.263SS..THydrogen-bonded Turntrans-46.2135.4-178.3-71.1-6000112.5N178 E179 H181 E182N153-N178 PolarHBondContact ND2-O 2.89Å; N153-N178 VanDerWaalsContact ND2-O 3.17Å; N153-E179 PolarHBondContact ND2-O 3.49Å; N153-H181 WeakPolarHBondContact OD1-CA 3.33Å; N153-H181 PolarHBondContact OD1-N 3.48Å; N153-H181 VanDerWaalsContact OD1-N 3.1Å; N153-H181 PolarHBondContact OD1-O 3.27Å; N153-E182 WeakPolarHBondContact CA-OE1 3.3Å; N153-E182 PolarHBondContact OD1-N 2.91Å; N153-E182 VanDerWaalsContact OD1-N 3.13Å
154G85.6Confident87.7Confident56 Ų5649.3 Ų49.358%0.57727%0.272SS*.THydrogen-bonded Turntrans86.7-3.7-178.200000115.8V152 E182V152-G154 PolarHBondContact O-N 2.97Å; G154-E182 PolarHBondContact N-OE1 3.44Å; G154-E182 PolarHBondContact N-OE2 3.4Å
155N88.9Confident88.2Confident49 Ų4951 Ų5126%0.26228%0.277SS..  trans-92.6-6.3-179.5-69.7-71.9000114.6L151 V152 V157 S158 M159L151-N155 HydrophobicContact CB-CB 4.4Å; V152-N155 WeakPolarHBondContact O-CB 3.08Å; V152-N155 PolarHBondContact O-N 2.99Å; V152-N155 VanDerWaalsContact O-N 3.16Å; V152-N155 PolarHBondContact O-ND2 2.87Å; N155-V157 PolarHBondContact O-N 3.37Å; N155-S158 PolarHBondContact O-N 3.1Å; N155-M159 WeakPolarHBondContact O-CB 3.41Å; N155-M159 PolarHBondContact O-N 3.32Å
156T85.9Confident88.3Confident12 Ų1253.5 Ų53.57%0.07429%0.29CS..Hα-helixtrans-54.2-49.9179.9-680000112.7S158 M159 L160 L175 E182 V184T156-S158 PolarHBondContact O-N 3.03Å; T156-M159 WeakPolarHBondContact O-CB 3.41Å; T156-M159 PolarHBondContact O-N 3.42Å; T156-L160 HydrophobicContact CG2-CD1 4.04Å; T156-L160 HydrophobicContact CG2-CG 4.42Å; T156-L160 WeakPolarHBondContact O-CG 3.28Å; T156-L160 PolarHBondContact O-N 3.24Å; T156-L175 HydrophobicContact CG2-CD1 3.47Å; T156-L175 VanDerWaalsContact CG2-CD1 3.47Å; T156-L175 WeakPolarHBondContact OG1-CD1 3.44Å; T156-E182 WeakPolarHBondContact CB-OE2 3.2Å; T156-E182 PolarHBondContact N-OE2 3.14Å; T156-E182 PolarHBondContact OG1-OE2 3.39Å; T156-V184 HydrophobicContact CG2-CG1 4.28Å; T156-V184 HydrophobicContact CG2-CG2 4.09Å; T156-V184 VanDerWaalsContact OG1-CG2 3.24Å; T156-V184 WeakPolarHBondContact OG1-CG2 3.14Å
157V88.3Confident88.3Confident97 Ų9760.3 Ų60.359%0.58832%0.319SS*.Hα-helixtrans-63-47.1-176.6-179.40000110.7N155 M159 L160 D161N155-V157 PolarHBondContact O-N 3.37Å; V157-M159 VanDerWaalsContact C-N 3.26Å; V157-M159 PolarHBondContact O-N 3.33Å; V157-L160 PolarHBondContact O-N 3.26Å; V157-D161 PolarHBondContact O-N 2.91Å
158S89.4Confident88.1Confident73 Ų7361.3 Ų61.351%0.5132%0.324SS..Hα-helixtrans-57.4-39.1176.4-56.10000112.4N155 T156 W162N155-S158 PolarHBondContact O-N 3.1Å; T156-S158 PolarHBondContact O-N 3.03Å; S158-W162 WeakPolarHBondContact O-CB 3.43Å; S158-W162 PolarHBondContact O-N 3.46Å
159M88.4Confident87.8Confident10 Ų1063.6 Ų63.65%0.04933%0.333CS..Hα-helixtrans-68.9-44.5178.3-169.468.6-107.800111.8L149 L151 N155 T156 V157 D161 W162 F163 L203 M206 V209L149-M159 HydrophobicContact CD1-CG 3.87Å; L151-M159 HydrophobicContact CD1-CB 3.89Å; L151-M159 HydrophobicContact CD1-CG 4.13Å; L151-M159 HydrophobicContact CD2-CG 4.35Å; L151-M159 HydrophobicContact CD2-SD 4.5Å; N155-M159 WeakPolarHBondContact O-CB 3.41Å; N155-M159 PolarHBondContact O-N 3.32Å; T156-M159 WeakPolarHBondContact O-CB 3.41Å; T156-M159 PolarHBondContact O-N 3.42Å; V157-M159 VanDerWaalsContact C-N 3.26Å; V157-M159 PolarHBondContact O-N 3.33Å; M159-D161 VanDerWaalsContact C-N 3.33Å; M159-D161 PolarHBondContact O-N 3.42Å; M159-W162 HydrophobicContact CE-CB 4.16Å; M159-W162 HydrophobicContact CE-CD2 3.81Å; M159-W162 HydrophobicContact CE-CE3 3.27Å; M159-W162 HydrophobicContact CE-CG 4.21Å; M159-W162 HydrophobicContact CE-CZ3 3.93Å; M159-W162 WeakPolarHBondContact O-CB 3.38Å; M159-W162 PolarHBondContact O-N 2.99Å; M159-F163 HydrophobicContact CE-CD2 3.8Å; M159-F163 HydrophobicContact CE-CE2 3.49Å; M159-F163 VanDerWaalsContact CE-CE2 3.49Å; M159-F163 HydrophobicContact CE-CZ 4.06Å; M159-F163 HydrophobicContact CG-CD2 4.33Å; M159-F163 HydrophobicContact CG-CE2 4Å; M159-F163 VanDerWaalsContact O-CD2 3.23Å; M159-F163 WeakPolarHBondContact O-CD2 3.29Å; M159-F163 PolarHBondContact O-N 3.42Å; M159-F163 VanDerWaalsContact O-N 3.09Å; M159-F163 HydrophobicContact SD-CE2 4.43Å; M159-L203 HydrophobicContact CE-CD2 3.28Å; M159-L203 HydrophobicContact SD-CD2 4.02Å; M159-M206 HydrophobicContact CE-CE 3.92Å; M159-M206 HydrophobicContact CE-SD 3.85Å; M159-M206 HydrophobicContact SD-CE 4.21Å; M159-M206 HydrophobicContact SD-SD 4.33Å; M159-V209 HydrophobicContact SD-CG2 4.21Å
160L87.2Confident87.6Confident37 Ų3764.8 Ų64.819%0.19434%0.34CS..Hα-helixtrans-63.7-39.1176.5-68.8176000111.8T156 V157 F163 K164 I186T156-L160 HydrophobicContact CG2-CD1 4.04Å; T156-L160 HydrophobicContact CG2-CG 4.42Å; T156-L160 WeakPolarHBondContact O-CG 3.28Å; T156-L160 PolarHBondContact O-N 3.24Å; V157-L160 PolarHBondContact O-N 3.26Å; L160-F163 PolarHBondContact O-N 2.93Å; L160-K164 PolarHBondContact O-N 3.26Å; L160-K164 VanDerWaalsContact O-N 3.12Å; L160-I186 HydrophobicContact CD2-CG2 4.13Å
161D89.3Confident87.4Confident68 Ų6866.8 Ų66.836%0.36435%0.35SS..Hα-helixtrans-68.4-35.6176.2-74.9-19.9000112.1V157 M159 K164 Q165V157-D161 PolarHBondContact O-N 2.91Å; M159-D161 VanDerWaalsContact C-N 3.33Å; M159-D161 PolarHBondContact O-N 3.42Å; D161-K164 WeakPolarHBondContact O-CB 3.41Å; D161-K164 PolarHBondContact O-N 2.89Å; D161-K164 IonicContact OD1-NZ 3.62Å; D161-Q165 WeakPolarHBondContact O-CG 3.09Å; D161-Q165 PolarHBondContact O-N 3.24Å
162W90.6Very high87.1Confident40 Ų4071.1 Ų71.115%0.15237%0.372CS..Hα-helixtrans-61.4-44.3172.1-179.592000112S158 M159 K164 Q165 Q166 L199 L202 L203 M206S158-W162 WeakPolarHBondContact O-CB 3.43Å; S158-W162 PolarHBondContact O-N 3.46Å; M159-W162 HydrophobicContact CE-CB 4.16Å; M159-W162 HydrophobicContact CE-CD2 3.81Å; M159-W162 HydrophobicContact CE-CE3 3.27Å; M159-W162 HydrophobicContact CE-CG 4.21Å; M159-W162 HydrophobicContact CE-CZ3 3.93Å; M159-W162 WeakPolarHBondContact O-CB 3.38Å; M159-W162 PolarHBondContact O-N 2.99Å; W162-K164 VanDerWaalsContact C-N 3.31Å; W162-K164 PolarHBondContact O-N 2.86Å; W162-Q165 WeakPolarHBondContact O-CB 3.46Å; W162-Q165 PolarHBondContact O-N 3.28Å; W162-Q165 VanDerWaalsContact O-N 3.16Å; W162-Q166 HydrophobicContact CD2-CG 4Å; W162-Q166 HydrophobicContact CE3-CG 4.16Å; W162-Q166 HydrophobicContact CH2-CG 3.84Å; W162-Q166 HydrophobicContact CZ2-CG 3.65Å; W162-Q166 HydrophobicContact CZ3-CG 4.09Å; W162-Q166 WeakPolarHBondContact O-CG 3.49Å; W162-Q166 PolarHBondContact O-N 3.27Å; W162-L199 HydrophobicContact CH2-CD1 3.8Å; W162-L199 HydrophobicContact CZ3-CD1 4.07Å; W162-L202 HydrophobicContact CH2-CD2 3.74Å; W162-L202 HydrophobicContact CH2-CG 4.39Å; W162-L202 HydrophobicContact CZ2-CD2 3.5Å; W162-L202 HydrophobicContact CZ2-CG 4.08Å; W162-L203 HydrophobicContact CE3-CD2 4.32Å; W162-L203 HydrophobicContact CH2-CD2 4.24Å; W162-L203 HydrophobicContact CZ3-CD2 3.81Å; W162-M206 HydrophobicContact CB-CE 4.12Å; W162-M206 HydrophobicContact CD2-CE 3.8Å; W162-M206 HydrophobicContact CD2-SD 3.91Å; W162-M206 HydrophobicContact CE3-SD 4.34Å; W162-M206 HydrophobicContact CG-CE 3.54Å; W162-M206 HydrophobicContact CG-SD 4.31Å; W162-M206 HydrophobicContact CH2-SD 4.44Å; W162-M206 HydrophobicContact CZ2-SD 4.02Å
163F89.4Confident87Confident0 Ų072 Ų720%038%0.377CS..Hα-helixtrans-59.7-41.9175.4-82.7-69.8000112.2L147 L149 M159 L160 Q166 K167 I168 T170 I186 I188 L199 L203L147-F163 HydrophobicContact CD1-CZ 4.48Å; L149-F163 HydrophobicContact CD1-CE2 3.79Å; L149-F163 HydrophobicContact CD1-CZ 4.24Å; M159-F163 HydrophobicContact CE-CD2 3.8Å; M159-F163 HydrophobicContact CE-CE2 3.49Å; M159-F163 VanDerWaalsContact CE-CE2 3.49Å; M159-F163 HydrophobicContact CE-CZ 4.06Å; M159-F163 HydrophobicContact CG-CD2 4.33Å; M159-F163 HydrophobicContact CG-CE2 4Å; M159-F163 VanDerWaalsContact O-CD2 3.23Å; M159-F163 WeakPolarHBondContact O-CD2 3.29Å; M159-F163 PolarHBondContact O-N 3.42Å; M159-F163 VanDerWaalsContact O-N 3.09Å; M159-F163 HydrophobicContact SD-CE2 4.43Å; L160-F163 PolarHBondContact O-N 2.93Å; F163-Q166 PolarHBondContact O-N 2.65Å; F163-K167 PolarHBondContact O-N 2.85Å; F163-I168 HydrophobicContact CD1-CB 4.07Å; F163-I168 HydrophobicContact CD1-CD1 4.02Å; F163-I168 HydrophobicContact CD1-CG2 4Å; F163-I168 HydrophobicContact CE1-CD1 4.4Å; F163-I168 PolarHBondContact O-N 3.18Å; F163-T170 HydrophobicContact CB-CG2 3.58Å; F163-T170 HydrophobicContact CD1-CG2 3.73Å; F163-T170 HydrophobicContact CD2-CG2 4.21Å; F163-T170 HydrophobicContact CE1-CG2 4.45Å; F163-T170 HydrophobicContact CG-CG2 3.59Å; F163-I186 HydrophobicContact CD2-CD1 3.9Å; F163-I186 HydrophobicContact CE1-CD1 4.31Å; F163-I186 HydrophobicContact CE2-CD1 3.24Å; F163-I186 HydrophobicContact CZ-CD1 3.49Å; F163-I186 VanDerWaalsContact CZ-CD1 3.49Å; F163-I188 HydrophobicContact CE1-CG2 4.21Å; F163-I188 HydrophobicContact CZ-CG2 4.49Å; F163-L199 HydrophobicContact CE1-CD2 4.45Å; F163-L203 HydrophobicContact CE1-CD2 4.49Å; F163-L203 HydrophobicContact CE2-CD2 4.4Å; F163-L203 HydrophobicContact CZ-CD1 4.04Å; F163-L203 HydrophobicContact CZ-CD2 3.88Å
164K87.1Confident87.1Confident140 Ų14071 Ų7161%0.60938%0.376SS*.Hα-helixtrans-61.5-42.5174.5-71.6175.7-174.1163.70112.1L160 D161 W162 Q166 K167L160-K164 PolarHBondContact O-N 3.26Å; L160-K164 VanDerWaalsContact O-N 3.12Å; D161-K164 WeakPolarHBondContact O-CB 3.41Å; D161-K164 PolarHBondContact O-N 2.89Å; D161-K164 IonicContact OD1-NZ 3.62Å; W162-K164 VanDerWaalsContact C-N 3.31Å; W162-K164 PolarHBondContact O-N 2.86Å; K164-Q166 VanDerWaalsContact C-N 3.3Å; K164-Q166 PolarHBondContact O-N 3Å; K164-K167 WeakPolarHBondContact O-CA 3.29Å; K164-K167 PolarHBondContact O-N 3.41Å
165Q89.7Confident87.3Confident145 Ų14571.6 Ų71.668%0.67837%0.366SS*.Hα-helixtrans-63-36.6177.2-73175.814.400112.2D161 W162 K167D161-Q165 WeakPolarHBondContact O-CG 3.09Å; D161-Q165 PolarHBondContact O-N 3.24Å; W162-Q165 WeakPolarHBondContact O-CB 3.46Å; W162-Q165 PolarHBondContact O-N 3.28Å; W162-Q165 VanDerWaalsContact O-N 3.16Å; Q165-K167 PolarHBondContact O-N 2.85Å
166Q85.8Confident87.3Confident101 Ų10175 Ų7547%0.47238%0.38SS..THydrogen-bonded Turntrans-75.33.1173.5-62.3-53.5-44.500113.6W162 F163 K164 I168W162-Q166 HydrophobicContact CD2-CG 4Å; W162-Q166 HydrophobicContact CE3-CG 4.16Å; W162-Q166 HydrophobicContact CH2-CG 3.84Å; W162-Q166 HydrophobicContact CZ2-CG 3.65Å; W162-Q166 HydrophobicContact CZ3-CG 4.09Å; W162-Q166 WeakPolarHBondContact O-CG 3.49Å; W162-Q166 PolarHBondContact O-N 3.27Å; F163-Q166 PolarHBondContact O-N 2.65Å; K164-Q166 VanDerWaalsContact C-N 3.3Å; K164-Q166 PolarHBondContact O-N 3Å; Q166-I168 HydrophobicContact CB-CD1 3.88Å; Q166-I168 HydrophobicContact CB-CG1 3.98Å; Q166-I168 PolarHBondContact O-N 2.86Å
167K84.2Confident87.3Confident195 Ų19581 Ų8185%0.84841%0.407SS*.THydrogen-bonded Turntrans55.926.5-175.6-56.7-179.9178.5177.80113.1F163 K164 Q165F163-K167 PolarHBondContact O-N 2.85Å; K164-K167 WeakPolarHBondContact O-CA 3.29Å; K164-K167 PolarHBondContact O-N 3.41Å; Q165-K167 PolarHBondContact O-N 2.85Å
168I84.9Confident87.2Confident22 Ų2279.9 Ų79.911%0.11340%0.398CS..  trans-86.6120.8174.1-61.3170.6000106.5F163 Q166 T170 I188 L190 L199F163-I168 HydrophobicContact CD1-CB 4.07Å; F163-I168 HydrophobicContact CD1-CD1 4.02Å; F163-I168 HydrophobicContact CD1-CG2 4Å; F163-I168 HydrophobicContact CE1-CD1 4.4Å; F163-I168 PolarHBondContact O-N 3.18Å; Q166-I168 HydrophobicContact CB-CD1 3.88Å; Q166-I168 HydrophobicContact CB-CG1 3.98Å; Q166-I168 PolarHBondContact O-N 2.86Å; I168-T170 HydrophobicContact CG2-CG2 3.97Å; I168-T170 PolarHBondContact O-N 3.4Å; I168-I188 HydrophobicContact CG2-CB 4.11Å; I168-L190 HydrophobicContact CD1-CD2 3.95Å; I168-L190 HydrophobicContact CG1-CD2 4.1Å; I168-L190 HydrophobicContact CG2-CD2 3.92Å; I168-L199 HydrophobicContact CD1-CD1 3.94Å
169K83.1Confident86.8Confident122 Ų12285.3 Ų85.353%0.5342%0.415SS..EExtended strand (participates in β ladder)trans-71.4125174.8-173.1179.7174.1-170.60108.5I188 Q189K169-I188 WeakPolarHBondContact O-CA 3.43Å; K169-Q189 HydrophobicContact CB-CB 4.35Å; K169-Q189 PolarHBondContact O-N 2.89Å
170T85.3Confident86.6Confident27 Ų2790.4 Ų90.417%0.16644%0.443CS..EExtended strand (participates in β ladder)trans-130.4135.2-178.2560000110.9F163 I168 D187 I188F163-T170 HydrophobicContact CB-CG2 3.58Å; F163-T170 HydrophobicContact CD1-CG2 3.73Å; F163-T170 HydrophobicContact CD2-CG2 4.21Å; F163-T170 HydrophobicContact CE1-CG2 4.45Å; F163-T170 HydrophobicContact CG-CG2 3.59Å; I168-T170 HydrophobicContact CG2-CG2 3.97Å; I168-T170 PolarHBondContact O-N 3.4Å; T170-D187 CarbonylContact C-O 3.55Å; T170-D187 VanDerWaalsContact CA-O 3.29Å; T170-D187 WeakPolarHBondContact CA-O 3.33Å; T170-I188 HydrophobicContact CG2-CB 4.2Å; T170-I188 HydrophobicContact CG2-CG2 3.56Å
171D85.9Confident86.6Confident81 Ų8191.3 Ų91.343%0.43345%0.446SS..EExtended strand (participates in β ladder)trans-117.2119.7174.5-65.6-42.6000107.8V173 I186 D187D171-V173 PolarHBondContact O-N 3.24Å; D171-I186 WeakPolarHBondContact O-CA 3.33Å; D171-D187 HydrophobicContact CB-CB 4.38Å; D171-D187 PolarHBondContact N-O 3.19Å; D171-D187 PolarHBondContact O-N 2.9Å
172L85.7Confident86.6Confident91 Ų9188.8 Ų88.848%0.47643%0.432SS..EExtended strand (participates in β ladder)trans-73121.2178.7179.468.9000109.4V184 I186L172-V184 HydrophobicContact CD1-CG1 3.42Å; L172-V184 VanDerWaalsContact CD1-CG1 3.42Å; L172-I186 HydrophobicContact CD1-CG2 3.93Å
173V87.2Confident86.5Confident77 Ų7788.5 Ų88.547%0.46743%0.434SS..EExtended strand (participates in β ladder)trans-94.4-45.1-179.4-178.40000110.9D171 A185 D187D171-V173 PolarHBondContact O-N 3.24Å; V173-A185 WeakPolarHBondContact CA-O 3.35Å; V173-A185 HydrophobicContact CB-CB 4.31Å; V173-A185 WeakPolarHBondContact CB-O 3.24Å; V173-A185 PolarHBondContact N-O 2.95Å; V173-D187 HydrophobicContact CG2-CB 4.21Å; V173-D187 VanDerWaalsContact CG2-OD2 3.32Å; V173-D187 WeakPolarHBondContact CG2-OD2 3.2Å
174S87.1Confident86.6Confident48 Ų4888.6 Ų88.634%0.33644%0.435SS..EExtended strand (participates in β ladder)trans-158.1155.9175.365.50000112.4A185S174-A185 PolarHBondContact N-O 2.89Å; S174-A185 VanDerWaalsContact N-O 3.17Å; S174-A185 PolarHBondContact O-N 3.35Å; S174-A185 WeakPolarHBondContact OG-CB 3.38Å
175L89.4Confident86.7Confident69 Ų6982.1 Ų82.136%0.36141%0.407SS..EExtended strand (participates in β ladder)trans-133123.5172.4176.2127.6000107.6T156 E177 V183 V184T156-L175 HydrophobicContact CG2-CD1 3.47Å; T156-L175 VanDerWaalsContact CG2-CD1 3.47Å; T156-L175 WeakPolarHBondContact OG1-CD1 3.44Å; L175-E177 HydrophobicContact CD2-CG 3.77Å; L175-V183 WeakPolarHBondContact CA-O 3.38Å; L175-V184 HydrophobicContact CD1-CG2 4.16Å
176Q89.2Confident86.7Confident119 Ų11975.2 Ų75.256%0.55638%0.375SS*.EExtended strand (participates in β ladder)trans-120122.7174.8-65.1-177.6-3.400108.8E182 V183Q176-E182 CarbonylContact O-C 3.55Å; Q176-E182 WeakPolarHBondContact O-CA 3.27Å; Q176-V183 HydrophobicContact CB-CB 4.38Å; Q176-V183 PolarHBondContact N-O 2.94Å; Q176-V183 PolarHBondContact O-N 3.49Å
177E86.6Confident86.7Confident140 Ų14073.4 Ų73.465%0.65437%0.369SS*.EExtended strand (participates in β ladder)trans-96.2123.6177.9-58-176.3173.100109.3L175 E182L175-E177 HydrophobicContact CD2-CG 3.77Å; E177-E182 HydrophobicContact CG-CG 4.13Å
178N85.9Confident86.8Confident72 Ų7264.1 Ų64.139%0.38533%0.328SS..EExtended strand (participates in β ladder)trans-109.4166.6169.2-65.5-37.2000109.4N153 D180 H181N153-N178 PolarHBondContact ND2-O 2.89Å; N153-N178 VanDerWaalsContact ND2-O 3.17Å; N178-D180 PolarHBondContact O-N 3.31Å; N178-H181 WeakPolarHBondContact CA-O 3.39Å; N178-H181 VanDerWaalsContact CB-O 3.31Å; N178-H181 WeakPolarHBondContact CB-O 3.5Å; N178-H181 PolarHBondContact N-O 3.28Å; N178-H181 PolarHBondContact ND2-CE1 3.02Å; N178-H181 PolarHBondContact ND2-NE2 3.4Å; N178-H181 PolarHBondContact O-N 2.81Å
179E81.7Confident86.7Confident188 Ų18865.8 Ų65.888%0.87934%0.336SS*.THydrogen-bonded Turntrans-51.2-36.6-175.3-65.4-174.6161.600113.5N153N153-E179 PolarHBondContact ND2-O 3.49Å
180D84.4Confident86.4Confident117 Ų11760.1 Ų60.163%0.62631%0.311SS*.THydrogen-bonded Turntrans-116.2-8.1-175.9-67.7-37000115.3N178 K210N178-D180 PolarHBondContact O-N 3.31Å; D180-K210 PolarHBondContact O-NZ 3.37Å
181H87.2Confident85.8Confident55 Ų5564 Ų6426%0.25533%0.327SS..EExtended strand (participates in β ladder)trans-159.2152.2-172.161.8-79.9000113.6T150 L151 N153 N178 K210T150-H181 HydrophobicContact CG2-CB 4.28Å; L151-H181 CarbonylContact O-C 3.6Å; L151-H181 VanDerWaalsContact O-CA 3.26Å; L151-H181 WeakPolarHBondContact O-CA 3.39Å; L151-H181 VanDerWaalsContact O-CB 3.24Å; L151-H181 WeakPolarHBondContact O-CB 3.32Å; N153-H181 WeakPolarHBondContact OD1-CA 3.33Å; N153-H181 PolarHBondContact OD1-N 3.48Å; N153-H181 VanDerWaalsContact OD1-N 3.1Å; N153-H181 PolarHBondContact OD1-O 3.27Å; N178-H181 WeakPolarHBondContact CA-O 3.39Å; N178-H181 VanDerWaalsContact CB-O 3.31Å; N178-H181 WeakPolarHBondContact CB-O 3.5Å; N178-H181 PolarHBondContact N-O 3.28Å; N178-H181 PolarHBondContact ND2-CE1 3.02Å; N178-H181 PolarHBondContact ND2-NE2 3.4Å; N178-H181 PolarHBondContact O-N 2.81Å; H181-K210 HydrophobicContact CB-CD 3.96Å
182E88.5Confident84.8Confident16 Ų1661.3 Ų61.38%0.07532%0.316CS..EExtended strand (participates in β ladder)trans-101.3133.4173.4-80.2159.6-159.200108.9T150 L151 N153 G154 T156 Q176 E177 V184T150-E182 CarbonylContact C-O 3.46Å; T150-E182 WeakPolarHBondContact CA-O 3.26Å; L151-E182 HydrophobicContact CB-CB 4.36Å; L151-E182 PolarHBondContact N-O 3.35Å; L151-E182 PolarHBondContact O-N 2.85Å; N153-E182 WeakPolarHBondContact CA-OE1 3.3Å; N153-E182 PolarHBondContact OD1-N 2.91Å; N153-E182 VanDerWaalsContact OD1-N 3.13Å; G154-E182 PolarHBondContact N-OE1 3.44Å; G154-E182 PolarHBondContact N-OE2 3.4Å; T156-E182 WeakPolarHBondContact CB-OE2 3.2Å; T156-E182 PolarHBondContact N-OE2 3.14Å; T156-E182 PolarHBondContact OG1-OE2 3.39Å; Q176-E182 CarbonylContact O-C 3.55Å; Q176-E182 WeakPolarHBondContact O-CA 3.27Å; E177-E182 HydrophobicContact CG-CG 4.13Å; E182-V184 HydrophobicContact CB-CG2 4.38Å
183V89.2Confident83.9Confident33 Ų3363.1 Ų63.120%0.233%0.331CS..EExtended strand (participates in β ladder)trans-104.6115.8168.4-176.40000108.1L149 T150 L175 Q176L149-V183 CarbonylContact O-C 3.43Å; L149-V183 WeakPolarHBondContact O-CA 3.2Å; T150-V183 HydrophobicContact CG2-CG2 4.47Å; L175-V183 WeakPolarHBondContact CA-O 3.38Å; Q176-V183 HydrophobicContact CB-CB 4.38Å; Q176-V183 PolarHBondContact N-O 2.94Å; Q176-V183 PolarHBondContact O-N 3.49Å
184V90.4Very high83.2Confident3 Ų362.5 Ų62.52%0.01833%0.327CS..EExtended strand (participates in β ladder)trans-114.2114.8-176.1-166.50000108.8L149 L151 T156 L172 L175 E182 I186L149-V184 HydrophobicContact CB-CB 4.4Å; L149-V184 PolarHBondContact N-O 3.45Å; L149-V184 PolarHBondContact O-N 2.88Å; L151-V184 HydrophobicContact CD1-CB 4.44Å; L151-V184 HydrophobicContact CD1-CG2 3.64Å; L151-V184 HydrophobicContact CG-CG2 4.18Å; T156-V184 HydrophobicContact CG2-CG1 4.28Å; T156-V184 HydrophobicContact CG2-CG2 4.09Å; T156-V184 VanDerWaalsContact OG1-CG2 3.24Å; T156-V184 WeakPolarHBondContact OG1-CG2 3.14Å; L172-V184 HydrophobicContact CD1-CG1 3.42Å; L172-V184 VanDerWaalsContact CD1-CG1 3.42Å; L175-V184 HydrophobicContact CD1-CG2 4.16Å; E182-V184 HydrophobicContact CB-CG2 4.38Å; V184-I186 HydrophobicContact CG1-CG2 3.9Å
185A89.2Confident82.9Confident3 Ų362.2 Ų62.23%0.02533%0.326CS..EExtended strand (participates in β ladder)trans-97.1123.6172.500000109.5L147 Q148 V173 S174L147-A185 CarbonylContact O-C 3.59Å; L147-A185 WeakPolarHBondContact O-CA 3.24Å; Q148-A185 HydrophobicContact CG-CB 4.22Å; V173-A185 WeakPolarHBondContact CA-O 3.35Å; V173-A185 HydrophobicContact CB-CB 4.31Å; V173-A185 WeakPolarHBondContact CB-O 3.24Å; V173-A185 PolarHBondContact N-O 2.95Å; S174-A185 PolarHBondContact N-O 2.89Å; S174-A185 VanDerWaalsContact N-O 3.17Å; S174-A185 PolarHBondContact O-N 3.35Å; S174-A185 WeakPolarHBondContact OG-CB 3.38Å
186I89.6Confident82.6Confident1 Ų159.9 Ų59.91%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-129.6140.3-179.560.6175.8000110.7L147 L149 L160 F163 D171 L172 V184 I188L147-I186 HydrophobicContact CB-CG1 3.92Å; L147-I186 PolarHBondContact N-O 3.49Å; L147-I186 PolarHBondContact O-N 2.91Å; L149-I186 HydrophobicContact CD1-CD1 3.61Å; L149-I186 HydrophobicContact CD1-CG1 4.26Å; L160-I186 HydrophobicContact CD2-CG2 4.13Å; F163-I186 HydrophobicContact CD2-CD1 3.9Å; F163-I186 HydrophobicContact CE1-CD1 4.31Å; F163-I186 HydrophobicContact CE2-CD1 3.24Å; F163-I186 HydrophobicContact CZ-CD1 3.49Å; F163-I186 VanDerWaalsContact CZ-CD1 3.49Å; D171-I186 WeakPolarHBondContact O-CA 3.33Å; L172-I186 HydrophobicContact CD1-CG2 3.93Å; V184-I186 HydrophobicContact CG1-CG2 3.9Å; I186-I188 HydrophobicContact CB-CG2 4.45Å; I186-I188 HydrophobicContact CD1-CG2 3.57Å; I186-I188 HydrophobicContact CG1-CG2 3.79Å
187D87.1Confident82.4Confident63 Ų6360 Ų6034%0.33731%0.314SS..EExtended strand (participates in β ladder)trans-89.7124.6163.2-79-37.8000108.5H146 T170 D171 V173H146-D187 IonicContact CE1-OD1 3.55Å; H146-D187 IonicContact CG-OD1 3.04Å; H146-D187 IonicContact ND1-OD1 3.88Å; H146-D187 PolarHBondContact ND1-OD1 2.87Å; H146-D187 IonicContact ND1-OD2 2.97Å; T170-D187 CarbonylContact C-O 3.55Å; T170-D187 VanDerWaalsContact CA-O 3.29Å; T170-D187 WeakPolarHBondContact CA-O 3.33Å; D171-D187 HydrophobicContact CB-CB 4.38Å; D171-D187 PolarHBondContact N-O 3.19Å; D171-D187 PolarHBondContact O-N 2.9Å; V173-D187 HydrophobicContact CG2-CB 4.21Å; V173-D187 VanDerWaalsContact CG2-OD2 3.32Å; V173-D187 WeakPolarHBondContact CG2-OD2 3.2Å
188I86.3Confident82.3Confident0 Ų057.8 Ų57.80%031%0.307CS..EExtended strand (participates in β ladder)trans-115.5144.1177.570.9165.6000110.8N144 Y145 L147 F163 I168 K169 T170 I186 L190 I196 L199N144-I188 CarbonylContact C-O 3.55Å; N144-I188 WeakPolarHBondContact CA-O 3.4Å; Y145-I188 PolarHBondContact N-O 3.15Å; Y145-I188 PolarHBondContact O-N 3.05Å; L147-I188 HydrophobicContact CD1-CD1 3.37Å; L147-I188 HydrophobicContact CD1-CG1 4.04Å; L147-I188 HydrophobicContact CD1-CG2 4.19Å; L147-I188 HydrophobicContact CG-CD1 3.97Å; L147-I188 HydrophobicContact CG-CG1 4.18Å; F163-I188 HydrophobicContact CE1-CG2 4.21Å; F163-I188 HydrophobicContact CZ-CG2 4.49Å; I168-I188 HydrophobicContact CG2-CB 4.11Å; K169-I188 WeakPolarHBondContact O-CA 3.43Å; T170-I188 HydrophobicContact CG2-CB 4.2Å; T170-I188 HydrophobicContact CG2-CG2 3.56Å; I186-I188 HydrophobicContact CB-CG2 4.45Å; I186-I188 HydrophobicContact CD1-CG2 3.57Å; I186-I188 HydrophobicContact CG1-CG2 3.79Å; I188-L190 HydrophobicContact CD1-CD1 3.84Å; I188-L190 HydrophobicContact CD1-CD2 4.06Å; I188-L190 HydrophobicContact CD1-CG 3.78Å; I188-L190 HydrophobicContact CG1-CG 4.32Å; I188-I196 HydrophobicContact CD1-CD1 4.17Å; I188-L199 HydrophobicContact CD1-CD2 3.36Å
189Q81.7Confident82.4Confident57 Ų5754.9 Ų54.927%0.26629%0.291SS..EExtended strand (participates in β ladder)trans-108.5111.3171.9-52.2-163.7-27.900109.4N142 N144 K169N142-Q189 HydrophobicContact CB-CB 4.42Å; N144-Q189 VanDerWaalsContact OD1-CG 3.25Å; N144-Q189 WeakPolarHBondContact OD1-CG 3.46Å; N144-Q189 PolarHBondContact OD1-NE2 3.11Å; K169-Q189 HydrophobicContact CB-CB 4.35Å; K169-Q189 PolarHBondContact O-N 2.89Å
190L77.5Confident82.7Confident3 Ų347.3 Ų47.32%0.01626%0.256CS..EExtended strand (participates in β ladder)trans-101.3139.4176.3-66178.8000110.8N142 K143 Y145 I168 I188 T194 I196 L199N142-L190 CarbonylContact C-O 3.59Å; N142-L190 WeakPolarHBondContact CA-O 3.38Å; N142-L190 WeakPolarHBondContact CB-O 3.25Å; K143-L190 PolarHBondContact N-O 3.19Å; K143-L190 PolarHBondContact O-N 2.55Å; Y145-L190 HydrophobicContact CD2-CB 4.34Å; Y145-L190 HydrophobicContact CD2-CD1 3.86Å; Y145-L190 HydrophobicContact CD2-CG 4.25Å; Y145-L190 HydrophobicContact CE2-CB 4.35Å; Y145-L190 HydrophobicContact CE2-CD1 4.01Å; I168-L190 HydrophobicContact CD1-CD2 3.95Å; I168-L190 HydrophobicContact CG1-CD2 4.1Å; I168-L190 HydrophobicContact CG2-CD2 3.92Å; I188-L190 HydrophobicContact CD1-CD1 3.84Å; I188-L190 HydrophobicContact CD1-CD2 4.06Å; I188-L190 HydrophobicContact CD1-CG 3.78Å; I188-L190 HydrophobicContact CG1-CG 4.32Å; L190-T194 HydrophobicContact CD2-CG2 4.27Å; L190-I196 HydrophobicContact CD1-CB 4.31Å; L190-I196 HydrophobicContact CD1-CD1 3.56Å; L190-L199 HydrophobicContact CD1-CD2 3.74Å; L190-L199 HydrophobicContact CD2-CD2 3.89Å; L190-L199 HydrophobicContact CG-CD2 4.32Å
191H71.5Confident82.9Confident109 Ų10950 Ų5051%0.50526%0.258SS..  trans-60.5146.5166.4-80.1-66.8000110.2N142 T193 T194N142-H191 PolarHBondContact OD1-CE1 3.34Å; N142-H191 VanDerWaalsContact OD1-CE1 3.3Å; N142-H191 PolarHBondContact OD1-ND1 3.2Å; H191-T193 PolarHBondContact O-N 3.05Å; H191-T194 PolarHBondContact O-N 3.41Å
192A65.2Low83Confident24 Ų2451.9 Ų51.920%0.19827%0.269CS..THydrogen-bonded Turntrans-58.7-23.4-176.400000114.5F138F138-A192 WeakPolarHBondContact O-CB 3.31Å
193T67Low83.1Confident128 Ų12851.1 Ų51.179%0.78527%0.266SS*.THydrogen-bonded Turntrans-79.8-15.717751.90000113.6H191H191-T193 PolarHBondContact O-N 3.05Å
194T72.2Confident83Confident64 Ų6456.1 Ų56.139%0.39328%0.284SS..SBendtrans-89.1118-178.9-52.20000109.4L190 H191 I196L190-T194 HydrophobicContact CD2-CG2 4.27Å; H191-T194 PolarHBondContact O-N 3.41Å; T194-I196 PolarHBondContact O-N 2.89Å
195S80.8Confident82.9Confident43 Ų4359.2 Ų59.230%0.30132%0.317SS..  trans-70.2124.2175.6178.90000110.3E197 D198 L199S195-E197 PolarHBondContact O-N 2.91Å; S195-E197 PolarHBondContact OG-N 3.23Å; S195-D198 WeakPolarHBondContact CB-OD2 3.4Å; S195-D198 PolarHBondContact O-N 3.49Å; S195-D198 PolarHBondContact OG-N 3.43Å; S195-L199 PolarHBondContact O-N 2.91Å; S195-L199 VanDerWaalsContact O-N 3.14Å
196I82.9Confident82.8Confident20 Ų2061.3 Ų61.310%0.10333%0.327CS..Hα-helixtrans-60.9-33.2171.9-172.362.6000110.8Y145 L147 I188 L190 T194 D198 L199 L200 I214Y145-I196 HydrophobicContact CD1-CB 4.48Å; Y145-I196 HydrophobicContact CD1-CD1 4.14Å; Y145-I196 HydrophobicContact CD1-CG1 3.95Å; Y145-I196 HydrophobicContact CD2-CD1 3.98Å; Y145-I196 HydrophobicContact CD2-CG1 4.4Å; Y145-I196 HydrophobicContact CE1-CB 4.02Å; Y145-I196 HydrophobicContact CE1-CG1 3.95Å; Y145-I196 HydrophobicContact CE1-CG2 4.02Å; Y145-I196 HydrophobicContact CE2-CB 4.09Å; Y145-I196 HydrophobicContact CE2-CD1 4.35Å; Y145-I196 HydrophobicContact CE2-CG1 4.39Å; Y145-I196 HydrophobicContact CG-CD1 3.86Å; Y145-I196 HydrophobicContact CG-CG1 4.18Å; L147-I196 HydrophobicContact CD2-CD1 4.29Å; I188-I196 HydrophobicContact CD1-CD1 4.17Å; L190-I196 HydrophobicContact CD1-CB 4.31Å; L190-I196 HydrophobicContact CD1-CD1 3.56Å; T194-I196 PolarHBondContact O-N 2.89Å; I196-D198 PolarHBondContact O-N 3.24Å; I196-L199 HydrophobicContact CD1-CD2 4.14Å; I196-L199 PolarHBondContact O-N 2.99Å; I196-L200 HydrophobicContact CG1-CD1 4.48Å; I196-L200 HydrophobicContact CG1-CG 4.33Å; I196-L200 WeakPolarHBondContact O-CB 3.25Å; I196-L200 VanDerWaalsContact O-CG 3.24Å; I196-L200 WeakPolarHBondContact O-CG 3.46Å; I196-L200 PolarHBondContact O-N 3.47Å; I196-I214 HydrophobicContact CG1-CD1 3.71Å; I196-I214 HydrophobicContact CG1-CG1 4.49Å
197E84.9Confident82.6Confident121 Ų12166 Ų6657%0.56537%0.366SS*.Hα-helixtrans-65.8-40178.8-62.8-179.2-172.300111.7S195 L200 R201S195-E197 PolarHBondContact O-N 2.91Å; S195-E197 PolarHBondContact OG-N 3.23Å; E197-L200 PolarHBondContact O-N 3.42Å; E197-R201 WeakPolarHBondContact O-CB 3.32Å; E197-R201 VanDerWaalsContact O-CG 3.28Å; E197-R201 WeakPolarHBondContact O-CG 3.36Å; E197-R201 PolarHBondContact O-N 2.87Å
198D85.9Confident82.5Confident94 Ų9464 Ų6450%0.50336%0.36SS..Hα-helixtrans-67.8-39.9176.7-66.6-29.4000110.7S195 I196 R201 L202S195-D198 WeakPolarHBondContact CB-OD2 3.4Å; S195-D198 PolarHBondContact O-N 3.49Å; S195-D198 PolarHBondContact OG-N 3.43Å; I196-D198 PolarHBondContact O-N 3.24Å; D198-R201 PolarHBondContact O-N 2.98Å; D198-L202 WeakPolarHBondContact O-CB 3.47Å; D198-L202 PolarHBondContact O-N 2.68Å
199L87.6Confident82.6Confident10 Ų1065.1 Ų65.15%0.05237%0.367CS..Hα-helixtrans-62.2-46.5173.2-176.369.9000111.5L147 W162 F163 I168 I188 L190 S195 I196 R201 L202 L203L147-L199 HydrophobicContact CD1-CD2 4.43Å; W162-L199 HydrophobicContact CH2-CD1 3.8Å; W162-L199 HydrophobicContact CZ3-CD1 4.07Å; F163-L199 HydrophobicContact CE1-CD2 4.45Å; I168-L199 HydrophobicContact CD1-CD1 3.94Å; I188-L199 HydrophobicContact CD1-CD2 3.36Å; L190-L199 HydrophobicContact CD1-CD2 3.74Å; L190-L199 HydrophobicContact CD2-CD2 3.89Å; L190-L199 HydrophobicContact CG-CD2 4.32Å; S195-L199 PolarHBondContact O-N 2.91Å; S195-L199 VanDerWaalsContact O-N 3.14Å; I196-L199 HydrophobicContact CD1-CD2 4.14Å; I196-L199 PolarHBondContact O-N 2.99Å; L199-R201 VanDerWaalsContact C-N 3.31Å; L199-R201 PolarHBondContact O-N 3.29Å; L199-L202 WeakPolarHBondContact O-CB 3.44Å; L199-L202 PolarHBondContact O-N 3.2Å; L199-L203 HydrophobicContact CD1-CD1 4.43Å; L199-L203 HydrophobicContact CD1-CG 4.43Å; L199-L203 HydrophobicContact CD2-CD1 4.43Å; L199-L203 HydrophobicContact CG-CD1 3.92Å; L199-L203 HydrophobicContact CG-CG 4.34Å; L199-L203 WeakPolarHBondContact O-CB 3.36Å; L199-L203 VanDerWaalsContact O-CG 3.24Å; L199-L203 WeakPolarHBondContact O-CG 3.32Å; L199-L203 PolarHBondContact O-N 3.37Å
200L87.6Confident83Confident30 Ų3068 Ų6816%0.15738%0.379CS..Hα-helixtrans-60.7-40.4177.3-73.5179.5000111.9L147 I196 E197 K204 V212 I214L147-L200 HydrophobicContact CD2-CD2 3.97Å; I196-L200 HydrophobicContact CG1-CD1 4.48Å; I196-L200 HydrophobicContact CG1-CG 4.33Å; I196-L200 WeakPolarHBondContact O-CB 3.25Å; I196-L200 VanDerWaalsContact O-CG 3.24Å; I196-L200 WeakPolarHBondContact O-CG 3.46Å; I196-L200 PolarHBondContact O-N 3.47Å; E197-L200 PolarHBondContact O-N 3.42Å; L200-K204 WeakPolarHBondContact O-CB 3.35Å; L200-K204 WeakPolarHBondContact O-CG 3.43Å; L200-K204 PolarHBondContact O-N 3.19Å; L200-V212 HydrophobicContact CD2-CB 4.3Å; L200-V212 HydrophobicContact CD2-CG1 3.32Å; L200-I214 HydrophobicContact CD1-CD1 3.75Å; L200-I214 HydrophobicContact CD1-CG1 4.02Å; L200-I214 HydrophobicContact CD2-CG1 4.25Å
201R87.9Confident83.5Confident174 Ų17469 Ų6966%0.65739%0.389SS*.Hα-helixtrans-63.7-43.8175.3-76.2175.1-175.1-1784.4111.5E197 D198 L199 K204 G205E197-R201 WeakPolarHBondContact O-CB 3.32Å; E197-R201 VanDerWaalsContact O-CG 3.28Å; E197-R201 WeakPolarHBondContact O-CG 3.36Å; E197-R201 PolarHBondContact O-N 2.87Å; D198-R201 PolarHBondContact O-N 2.98Å; L199-R201 VanDerWaalsContact C-N 3.31Å; L199-R201 PolarHBondContact O-N 3.29Å; R201-K204 PolarHBondContact O-N 3.34Å; R201-G205 PolarHBondContact O-N 3.46Å
202L89.3Confident84.4Confident94 Ų9464.6 Ų64.649%0.49237%0.37SS..Hα-helixtrans-61.9-47.7177.3-171.963.9000111W162 D198 L199 K204 G205 M206W162-L202 HydrophobicContact CH2-CD2 3.74Å; W162-L202 HydrophobicContact CH2-CG 4.39Å; W162-L202 HydrophobicContact CZ2-CD2 3.5Å; W162-L202 HydrophobicContact CZ2-CG 4.08Å; D198-L202 WeakPolarHBondContact O-CB 3.47Å; D198-L202 PolarHBondContact O-N 2.68Å; L199-L202 WeakPolarHBondContact O-CB 3.44Å; L199-L202 PolarHBondContact O-N 3.2Å; L202-K204 PolarHBondContact O-N 3.3Å; L202-G205 PolarHBondContact O-N 3.22Å; L202-G205 VanDerWaalsContact O-N 3.12Å; L202-M206 WeakPolarHBondContact O-CG 3.43Å; L202-M206 PolarHBondContact O-N 3.03Å
203L90.5Very high85.3Confident0 Ų066 Ų660%038%0.379CS..Hα-helixtrans-62.6-42.8179.3-69170000112.3L147 L149 M159 W162 F163 L199 G205 M206 V209 V212L147-L203 HydrophobicContact CD1-CD1 4.08Å; L149-L203 HydrophobicContact CD2-CD1 4.16Å; M159-L203 HydrophobicContact CE-CD2 3.28Å; M159-L203 HydrophobicContact SD-CD2 4.02Å; W162-L203 HydrophobicContact CE3-CD2 4.32Å; W162-L203 HydrophobicContact CH2-CD2 4.24Å; W162-L203 HydrophobicContact CZ3-CD2 3.81Å; F163-L203 HydrophobicContact CE1-CD2 4.49Å; F163-L203 HydrophobicContact CE2-CD2 4.4Å; F163-L203 HydrophobicContact CZ-CD1 4.04Å; F163-L203 HydrophobicContact CZ-CD2 3.88Å; L199-L203 HydrophobicContact CD1-CD1 4.43Å; L199-L203 HydrophobicContact CD1-CG 4.43Å; L199-L203 HydrophobicContact CD2-CD1 4.43Å; L199-L203 HydrophobicContact CG-CD1 3.92Å; L199-L203 HydrophobicContact CG-CG 4.34Å; L199-L203 WeakPolarHBondContact O-CB 3.36Å; L199-L203 VanDerWaalsContact O-CG 3.24Å; L199-L203 WeakPolarHBondContact O-CG 3.32Å; L199-L203 PolarHBondContact O-N 3.37Å; L203-G205 PolarHBondContact O-N 3.32Å; L203-M206 HydrophobicContact CD2-SD 3.99Å; L203-M206 PolarHBondContact O-N 3.33Å; L203-M206 VanDerWaalsContact O-N 3.09Å; L203-V209 WeakPolarHBondContact O-CB 3.48Å; L203-V209 WeakPolarHBondContact O-CG1 3.34Å; L203-V209 WeakPolarHBondContact O-CG2 3.38Å; L203-V212 HydrophobicContact CB-CG2 3.87Å; L203-V212 HydrophobicContact CD1-CG1 4.28Å
204K88.8Confident86.2Confident137 Ų13763.7 Ų63.760%0.59636%0.361SS*.Hα-helixtrans-62-22.5176-76.6179.2179.9-176.60113.6L200 R201 L202 V212L200-K204 WeakPolarHBondContact O-CB 3.35Å; L200-K204 WeakPolarHBondContact O-CG 3.43Å; L200-K204 PolarHBondContact O-N 3.19Å; R201-K204 PolarHBondContact O-N 3.34Å; L202-K204 PolarHBondContact O-N 3.3Å; K204-V212 HydrophobicContact CG-CB 4.28Å; K204-V212 HydrophobicContact CG-CG2 4.05Å
205G86.8Confident86.1Confident68 Ų6865.9 Ų65.970%0.70138%0.378SS*.THydrogen-bonded Turntrans-90.1-6.5176.600000114.6R201 L202 L203R201-G205 PolarHBondContact O-N 3.46Å; L202-G205 PolarHBondContact O-N 3.22Å; L202-G205 VanDerWaalsContact O-N 3.12Å; L203-G205 PolarHBondContact O-N 3.32Å
206M88.4Confident86.4Confident47 Ų4767 Ų6723%0.23238%0.382CS..SBendtrans-78.5138.7-177.7-71.8-178.267.800111.8M159 W162 L202 L203 G208 V209M159-M206 HydrophobicContact CE-CE 3.92Å; M159-M206 HydrophobicContact CE-SD 3.85Å; M159-M206 HydrophobicContact SD-CE 4.21Å; M159-M206 HydrophobicContact SD-SD 4.33Å; W162-M206 HydrophobicContact CB-CE 4.12Å; W162-M206 HydrophobicContact CD2-CE 3.8Å; W162-M206 HydrophobicContact CD2-SD 3.91Å; W162-M206 HydrophobicContact CE3-SD 4.34Å; W162-M206 HydrophobicContact CG-CE 3.54Å; W162-M206 HydrophobicContact CG-SD 4.31Å; W162-M206 HydrophobicContact CH2-SD 4.44Å; W162-M206 HydrophobicContact CZ2-SD 4.02Å; L202-M206 WeakPolarHBondContact O-CG 3.43Å; L202-M206 PolarHBondContact O-N 3.03Å; L203-M206 HydrophobicContact CD2-SD 3.99Å; L203-M206 PolarHBondContact O-N 3.33Å; L203-M206 VanDerWaalsContact O-N 3.09Å; M206-G208 PolarHBondContact O-N 3.36Å; M206-V209 HydrophobicContact CB-CG2 3.86Å; M206-V209 PolarHBondContact O-N 3.3Å
207A85.1Confident86.6Confident100 Ų10069.5 Ų69.583%0.82640%0.397SS*.THydrogen-bonded Turntrans-59.3133.2172.700000110.2
208G85Confident86.7Confident21 Ų2166.6 Ų66.622%0.21639%0.388CS..THydrogen-bonded Turntrans90.7-6.7-178.300000114.8L151 V152 M206L151-G208 CarbonylContact C-O 3.51Å; L151-G208 VanDerWaalsContact CA-O 3.24Å; L151-G208 WeakPolarHBondContact CA-O 3.2Å; V152-G208 PolarHBondContact N-O 3.03Å; M206-G208 PolarHBondContact O-N 3.36Å
209V89.1Confident86.7Confident23 Ų2365 Ų6514%0.13938%0.381CS..EExtended strand (participates in β ladder)trans-92.8113.3174.7-177.10000110.1L151 M159 L203 M206 V212L151-V209 HydrophobicContact CD2-CB 4.33Å; L151-V209 HydrophobicContact CD2-CG2 3.75Å; M159-V209 HydrophobicContact SD-CG2 4.21Å; L203-V209 WeakPolarHBondContact O-CB 3.48Å; L203-V209 WeakPolarHBondContact O-CG1 3.34Å; L203-V209 WeakPolarHBondContact O-CG2 3.38Å; M206-V209 HydrophobicContact CB-CG2 3.86Å; M206-V209 PolarHBondContact O-N 3.3Å; V209-V212 HydrophobicContact CG1-CG2 3.44Å; V209-V212 VanDerWaalsContact CG1-CG2 3.44Å
210K88.5Confident86.7Confident118 Ų11868.4 Ų68.451%0.51340%0.401SS..EExtended strand (participates in β ladder)trans-83.5-29.9173.2-77178.7165.1173.60112.3T150 V152 D180 H181T150-K210 HydrophobicContact CG2-CB 4.01Å; T150-K210 WeakPolarHBondContact O-CA 3.34Å; T150-K210 WeakPolarHBondContact O-CB 3.45Å; T150-K210 PolarHBondContact O-N 3.33Å; V152-K210 HydrophobicContact CG2-CD 4.25Å; V152-K210 HydrophobicContact CG2-CG 3.99Å; D180-K210 PolarHBondContact O-NZ 3.37Å; H181-K210 HydrophobicContact CB-CD 3.96Å
211G88.1Confident86.6Confident23 Ų2371 Ų7124%0.23742%0.418CS..EExtended strand (participates in β ladder)trans-166.4153.5-176.200000112.8T150T150-G211 PolarHBondContact N-O 2.91Å; T150-G211 PolarHBondContact O-N 3.29Å; T150-G211 VanDerWaalsContact O-N 3.13Å
212V90Very high86.5Confident17 Ų1763.6 Ų63.610%0.10340%0.401CS..EExtended strand (participates in β ladder)trans-142.7127.1175.5-171.60000109.1Q148 L149 L200 L203 K204 V209Q148-V212 WeakPolarHBondContact O-CA 3.46Å; L149-V212 HydrophobicContact CD2-CB 4.16Å; L149-V212 HydrophobicContact CD2-CG1 3.63Å; L149-V212 HydrophobicContact CD2-CG2 3.72Å; L200-V212 HydrophobicContact CD2-CB 4.3Å; L200-V212 HydrophobicContact CD2-CG1 3.32Å; L203-V212 HydrophobicContact CB-CG2 3.87Å; L203-V212 HydrophobicContact CD1-CG1 4.28Å; K204-V212 HydrophobicContact CG-CB 4.28Å; K204-V212 HydrophobicContact CG-CG2 4.05Å; V209-V212 HydrophobicContact CG1-CG2 3.44Å; V209-V212 VanDerWaalsContact CG1-CG2 3.44Å
213S85.7Confident86.3Confident55 Ų5561.3 Ų61.339%0.38539%0.394SS..EExtended strand (participates in β ladder)trans-133151.1173.649.90000111.2Q148Q148-S213 PolarHBondContact N-O 3.48Å; Q148-S213 PolarHBondContact O-N 3.13Å
214I84.5Confident85.9Confident79 Ų7966.4 Ų66.441%0.40543%0.426SS..EExtended strand (participates in β ladder)trans-92131.1165.8-57.8172.3000106.2H146 L147 I196 L200H146-I214 WeakPolarHBondContact O-CA 3.45Å; L147-I214 HydrophobicContact CD2-CG1 3.74Å; I196-I214 HydrophobicContact CG1-CD1 3.71Å; I196-I214 HydrophobicContact CG1-CG1 4.49Å; L200-I214 HydrophobicContact CD1-CD1 3.75Å; L200-I214 HydrophobicContact CD1-CG1 4.02Å; L200-I214 HydrophobicContact CD2-CG1 4.25Å
215S71.3Confident85.7Confident109 Ų10960 Ų6076%0.76241%0.411SS*.  trans-890170.4-52.50000112.3H146 Q148H146-S215 PolarHBondContact O-N 2.69Å; H146-S215 VanDerWaalsContact O-N 3.07Å; Q148-S215 WeakPolarHBondContact CG-OG 3.42Å; Q148-S215 PolarHBondContact NE2-OG 3.45Å

Retrieved 215 of 215 residues in 351.4 ms (Link to these results)

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