A0A5K4F886_SCHMA Loading...

PPM-type phosphatase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F886, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 106 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
1M42.2Very low50.7Low231 Ų23193.3 Ų93.3100%1.13849%0.492SS*.  015.90-68.3-176.2168.200114.8
2K50.1Low51.6Low185 Ų18595.3 Ų95.380%0.80449%0.494SS*.  trans-89.9-19180-74.8-179.2175.1175.80114.7
3Q47.8Very low52.2Low128 Ų12892.1 Ų92.160%0.59848%0.484SS*.Hα-helixtrans-65.9-48.7-174.6-157.769.731.300112.4T5 L6 D7Q3-T5 VanDerWaalsContact C-N 3.26Å; Q3-T5 PolarHBondContact O-N 2.97Å; Q3-T5 VanDerWaalsContact O-N 3.15Å; Q3-L6 WeakPolarHBondContact O-CA 3.5Å; Q3-L6 WeakPolarHBondContact O-CB 3.31Å; Q3-L6 PolarHBondContact O-N 2.98Å; Q3-D7 VanDerWaalsContact O-CG 3.26Å; Q3-D7 PolarHBondContact O-N 2.95Å
4S48.2Very low53Low52 Ų5289.4 Ų89.436%0.36447%0.473SS..Hα-helixtrans-61.5-31.2-175.2-44.30000113.8C8S4-C8 PolarHBondContact O-N 3.04Å; S4-C8 VanDerWaalsContact O-N 3.17Å; S4-C8 PolarHBondContact O-SG 2.97Å
5T46.9Very low54.1Low83 Ų8385.1 Ų85.151%0.50945%0.45SS..Hα-helixtrans-70.6-39.4175.5-54.90000111.4Q3 L9Q3-T5 VanDerWaalsContact C-N 3.26Å; Q3-T5 PolarHBondContact O-N 2.97Å; Q3-T5 VanDerWaalsContact O-N 3.15Å; T5-L9 VanDerWaalsContact O-CB 3.31Å; T5-L9 WeakPolarHBondContact O-CB 3.44Å; T5-L9 PolarHBondContact O-N 3.15Å
6L51Low54.5Low101 Ų10184.4 Ų84.453%0.52945%0.446SS..Hα-helixtrans-67.5-40.2176.3-69.1171.8000111.3Q3 C8 L9 A10Q3-L6 WeakPolarHBondContact O-CA 3.5Å; Q3-L6 WeakPolarHBondContact O-CB 3.31Å; Q3-L6 PolarHBondContact O-N 2.98Å; L6-C8 PolarHBondContact O-N 3.3Å; L6-L9 PolarHBondContact O-N 2.83Å; L6-A10 WeakPolarHBondContact O-CB 3.5Å; L6-A10 PolarHBondContact O-N 3.31Å
7D48.8Very low55.1Low63 Ų6385.4 Ų85.434%0.33745%0.45SS..Hα-helixtrans-62.5-45.1178.2-58.1-27.8000110.8Q3 A10 I11Q3-D7 VanDerWaalsContact O-CG 3.26Å; Q3-D7 PolarHBondContact O-N 2.95Å; D7-A10 PolarHBondContact O-N 3.47Å; D7-I11 WeakPolarHBondContact O-CD1 3.32Å; D7-I11 VanDerWaalsContact O-CG1 3.32Å; D7-I11 WeakPolarHBondContact O-CG1 3.35Å; D7-I11 PolarHBondContact O-N 3.17Å
8C52.1Low55.4Low11 Ų1182 Ų827%0.07443%0.432CS..Hα-helixtrans-68.3-37.3178.1-62.60000112.7S4 L6 A10 I11 F12 R61S4-C8 PolarHBondContact O-N 3.04Å; S4-C8 VanDerWaalsContact O-N 3.17Å; S4-C8 PolarHBondContact O-SG 2.97Å; L6-C8 PolarHBondContact O-N 3.3Å; C8-A10 VanDerWaalsContact C-N 3.34Å; C8-I11 PolarHBondContact O-N 3.02Å; C8-F12 WeakPolarHBondContact O-CB 3.35Å; C8-F12 PolarHBondContact O-N 3.46Å; C8-R61 WeakPolarHBondContact SG-CD 3.32Å; C8-R61 VanDerWaalsContact SG-CZ 3.54Å; C8-R61 PolarHBondContact SG-NE 3.14Å; C8-R61 PolarHBondContact SG-NH1 3.27Å
9L54.2Low55.7Low97 Ų9779.4 Ų79.451%0.50842%0.42SS..Hα-helixtrans-63.7-43.3174.1-176.568.8000110.3T5 L6 I11 F12 C13T5-L9 VanDerWaalsContact O-CB 3.31Å; T5-L9 WeakPolarHBondContact O-CB 3.44Å; T5-L9 PolarHBondContact O-N 3.15Å; L6-L9 PolarHBondContact O-N 2.83Å; L9-I11 PolarHBondContact O-N 2.98Å; L9-F12 PolarHBondContact O-N 3.24Å; L9-C13 WeakPolarHBondContact O-CB 3.34Å; L9-C13 PolarHBondContact O-N 2.84Å; L9-C13 PolarHBondContact O-SG 2.64Å
10A55.2Low55.9Low54 Ų5480.5 Ų80.545%0.44643%0.425SS..Hα-helixtrans-60.4-47.8177.400000110.9L6 D7 C8 F12 C13 V14L6-A10 WeakPolarHBondContact O-CB 3.5Å; L6-A10 PolarHBondContact O-N 3.31Å; D7-A10 PolarHBondContact O-N 3.47Å; C8-A10 VanDerWaalsContact C-N 3.34Å; A10-F12 PolarHBondContact O-N 3.36Å; A10-C13 WeakPolarHBondContact O-CB 3.43Å; A10-C13 PolarHBondContact O-N 2.94Å; A10-V14 WeakPolarHBondContact O-CG2 3.42Å; A10-V14 PolarHBondContact O-N 3.08Å
11I61Low55.9Low21 Ų2179 Ų7911%0.10842%0.421CS..Hα-helixtrans-58-48.6176.2-72.7157.9000111.7D7 C8 L9 C13 V14 I15 I52 A58D7-I11 WeakPolarHBondContact O-CD1 3.32Å; D7-I11 VanDerWaalsContact O-CG1 3.32Å; D7-I11 WeakPolarHBondContact O-CG1 3.35Å; D7-I11 PolarHBondContact O-N 3.17Å; C8-I11 PolarHBondContact O-N 3.02Å; L9-I11 PolarHBondContact O-N 2.98Å; I11-C13 VanDerWaalsContact C-N 3.32Å; I11-C13 PolarHBondContact O-N 3.45Å; I11-V14 PolarHBondContact O-N 3.23Å; I11-I15 HydrophobicContact CG2-CD1 3.88Å; I11-I15 WeakPolarHBondContact O-CG1 3.2Å; I11-I15 PolarHBondContact O-N 3.17Å; I11-I52 HydrophobicContact CB-CG1 4.3Å; I11-I52 HydrophobicContact CD1-CG1 3.66Å; I11-I52 HydrophobicContact CG1-CD1 4.36Å; I11-I52 HydrophobicContact CG1-CG1 3.68Å; I11-I52 HydrophobicContact CG2-CD1 3.45Å; I11-I52 VanDerWaalsContact CG2-CD1 3.45Å; I11-I52 HydrophobicContact CG2-CG1 3.66Å; I11-A58 HydrophobicContact CD1-CB 3.26Å
12F62Low56.4Low117 Ų11768.9 Ų68.951%0.51337%0.373SS..Hα-helixtrans-62.3-41.3178.5-178.6-104.3000111.8C8 L9 A10 V14 I15 L16C8-F12 WeakPolarHBondContact O-CB 3.35Å; C8-F12 PolarHBondContact O-N 3.46Å; L9-F12 PolarHBondContact O-N 3.24Å; A10-F12 PolarHBondContact O-N 3.36Å; F12-V14 PolarHBondContact O-N 3.47Å; F12-I15 PolarHBondContact O-N 3.39Å; F12-L16 HydrophobicContact CD1-CD1 3.74Å; F12-L16 HydrophobicContact CD1-CG 4.48Å; F12-L16 HydrophobicContact CE1-CD1 3.19Å; F12-L16 HydrophobicContact CE1-CG 4.05Å; F12-L16 HydrophobicContact CZ-CD1 3.64Å; F12-L16 HydrophobicContact CZ-CG 4.09Å; F12-L16 WeakPolarHBondContact O-CB 3.15Å; F12-L16 PolarHBondContact O-N 3.24Å
13C58.7Low56.6Low54 Ų5464.9 Ų64.937%0.36536%0.36SS..Hα-helixtrans-61.4-43.1174.6-750000111.4L9 A10 I11 L16 I17L9-C13 WeakPolarHBondContact O-CB 3.34Å; L9-C13 PolarHBondContact O-N 2.84Å; L9-C13 PolarHBondContact O-SG 2.64Å; A10-C13 WeakPolarHBondContact O-CB 3.43Å; A10-C13 PolarHBondContact O-N 2.94Å; I11-C13 VanDerWaalsContact C-N 3.32Å; I11-C13 PolarHBondContact O-N 3.45Å; C13-L16 PolarHBondContact O-N 2.89Å; C13-I17 WeakPolarHBondContact O-CB 3.34Å; C13-I17 WeakPolarHBondContact O-CD1 3.43Å; C13-I17 WeakPolarHBondContact O-CG1 3.34Å; C13-I17 PolarHBondContact O-N 3.5Å
14V64Low56.7Low54 Ų5467 Ų6733%0.32736%0.363SS..Hα-helixtrans-68.3-40.8178.8-172.60000111.1A10 I11 F12 L16 I17 L18 V48A10-V14 WeakPolarHBondContact O-CG2 3.42Å; A10-V14 PolarHBondContact O-N 3.08Å; I11-V14 PolarHBondContact O-N 3.23Å; F12-V14 PolarHBondContact O-N 3.47Å; V14-L16 VanDerWaalsContact C-N 3.34Å; V14-L16 PolarHBondContact O-N 3.49Å; V14-I17 PolarHBondContact O-N 3.22Å; V14-L18 HydrophobicContact CG1-CD1 3.89Å; V14-L18 HydrophobicContact CG1-CG 4.23Å; V14-L18 WeakPolarHBondContact O-CB 3.41Å; V14-L18 WeakPolarHBondContact O-CD1 3.41Å; V14-L18 VanDerWaalsContact O-CG 3.23Å; V14-L18 WeakPolarHBondContact O-CG 3.22Å; V14-L18 PolarHBondContact O-N 3.45Å; V14-V48 HydrophobicContact CB-CG1 4.45Å; V14-V48 HydrophobicContact CB-CG2 3.91Å; V14-V48 HydrophobicContact CG1-CB 4.45Å; V14-V48 HydrophobicContact CG1-CG1 4.49Å; V14-V48 HydrophobicContact CG1-CG2 3.22Å; V14-V48 HydrophobicContact CG2-CG2 4.49Å
15I69.4Low56.9Low26 Ų2665.4 Ų65.413%0.13335%0.353CS..Hα-helixtrans-55.9-49.8172.3-76.2168.5000110.8I11 F12 I17 L18 V19 L62 M88I11-I15 HydrophobicContact CG2-CD1 3.88Å; I11-I15 WeakPolarHBondContact O-CG1 3.2Å; I11-I15 PolarHBondContact O-N 3.17Å; F12-I15 PolarHBondContact O-N 3.39Å; I15-I17 VanDerWaalsContact C-N 3.35Å; I15-I17 PolarHBondContact O-N 3.24Å; I15-L18 PolarHBondContact O-N 3.32Å; I15-V19 WeakPolarHBondContact O-CG2 3.38Å; I15-V19 PolarHBondContact O-N 2.83Å; I15-L62 HydrophobicContact CD1-CD1 3.5Å; I15-M88 HydrophobicContact CB-CE 4.36Å; I15-M88 HydrophobicContact CG2-CE 3.23Å
16L61.1Low56.9Low74 Ų7464.2 Ų64.239%0.38736%0.358SS..Hα-helixtrans-60.4-43.4177.1-90.9173.1000112.2F12 C13 V14 L18 V19 I20F12-L16 HydrophobicContact CD1-CD1 3.74Å; F12-L16 HydrophobicContact CD1-CG 4.48Å; F12-L16 HydrophobicContact CE1-CD1 3.19Å; F12-L16 HydrophobicContact CE1-CG 4.05Å; F12-L16 HydrophobicContact CZ-CD1 3.64Å; F12-L16 HydrophobicContact CZ-CG 4.09Å; F12-L16 WeakPolarHBondContact O-CB 3.15Å; F12-L16 PolarHBondContact O-N 3.24Å; C13-L16 PolarHBondContact O-N 2.89Å; V14-L16 VanDerWaalsContact C-N 3.34Å; V14-L16 PolarHBondContact O-N 3.49Å; L16-L18 VanDerWaalsContact C-N 3.3Å; L16-L18 PolarHBondContact O-N 3.21Å; L16-V19 PolarHBondContact O-N 3.48Å; L16-I20 WeakPolarHBondContact O-CB 3.47Å; L16-I20 WeakPolarHBondContact O-CG1 3.32Å; L16-I20 PolarHBondContact O-N 2.89Å
17I63.8Low56.7Low100 Ų10064.1 Ų64.151%0.51337%0.365SS..Hα-helixtrans-62.8-40.6178.2-70.5162.5000110.4C13 V14 I15 I20 S21C13-I17 WeakPolarHBondContact O-CB 3.34Å; C13-I17 WeakPolarHBondContact O-CD1 3.43Å; C13-I17 WeakPolarHBondContact O-CG1 3.34Å; C13-I17 PolarHBondContact O-N 3.5Å; V14-I17 PolarHBondContact O-N 3.22Å; I15-I17 VanDerWaalsContact C-N 3.35Å; I15-I17 PolarHBondContact O-N 3.24Å; I17-I20 PolarHBondContact O-N 3.45Å; I17-S21 VanDerWaalsContact O-CB 3.23Å; I17-S21 WeakPolarHBondContact O-CB 3.36Å; I17-S21 PolarHBondContact O-N 2.81Å; I17-S21 PolarHBondContact O-OG 2.9Å
18L60.5Low56.5Low25 Ų2565 Ų6513%0.13138%0.376CS..Hα-helixtrans-65.7-43.1177.3-70.3164.4000111.4V14 I15 L16 S21 S22 I41 I45 V48V14-L18 HydrophobicContact CG1-CD1 3.89Å; V14-L18 HydrophobicContact CG1-CG 4.23Å; V14-L18 WeakPolarHBondContact O-CB 3.41Å; V14-L18 WeakPolarHBondContact O-CD1 3.41Å; V14-L18 VanDerWaalsContact O-CG 3.23Å; V14-L18 WeakPolarHBondContact O-CG 3.22Å; V14-L18 PolarHBondContact O-N 3.45Å; I15-L18 PolarHBondContact O-N 3.32Å; L16-L18 VanDerWaalsContact C-N 3.3Å; L16-L18 PolarHBondContact O-N 3.21Å; L18-S21 PolarHBondContact O-N 3.49Å; L18-S22 WeakPolarHBondContact O-CB 3.5Å; L18-S22 PolarHBondContact O-N 3.29Å; L18-S22 PolarHBondContact O-OG 3.05Å; L18-I41 HydrophobicContact CD2-CG2 4.34Å; L18-I45 HydrophobicContact CD1-CB 4.48Å; L18-I45 HydrophobicContact CD1-CG1 3.74Å; L18-I45 HydrophobicContact CD2-CG1 4.47Å; L18-I45 HydrophobicContact CG-CG1 4.5Å; L18-V48 HydrophobicContact CD1-CG2 4.33Å
19V61.5Low56.2Low33 Ų3368.3 Ų68.320%0.240%0.397CS..Hα-helixtrans-61.5-51174.4172.50000110.7I15 L16 S21 S22 I23 M88I15-V19 WeakPolarHBondContact O-CG2 3.38Å; I15-V19 PolarHBondContact O-N 2.83Å; L16-V19 PolarHBondContact O-N 3.48Å; V19-S21 VanDerWaalsContact C-N 3.32Å; V19-S21 PolarHBondContact O-N 3.47Å; V19-S22 PolarHBondContact O-N 3.5Å; V19-S22 PolarHBondContact O-OG 3.09Å; V19-I23 HydrophobicContact CG1-CD1 3.82Å; V19-I23 WeakPolarHBondContact O-CG1 3.44Å; V19-I23 PolarHBondContact O-N 2.83Å; V19-M88 HydrophobicContact CG2-CE 3.82Å; V19-M88 HydrophobicContact CG2-SD 3.55Å; V19-M88 VanDerWaalsContact CG2-SD 3.55Å
20I59.7Low55.9Low100 Ų10068.1 Ų68.151%0.51342%0.418SS..Hα-helixtrans-60-44.1178.9-68.4165.5000110.7L16 I17 S22 I23 Y24L16-I20 WeakPolarHBondContact O-CB 3.47Å; L16-I20 WeakPolarHBondContact O-CG1 3.32Å; L16-I20 PolarHBondContact O-N 2.89Å; I17-I20 PolarHBondContact O-N 3.45Å; I20-S22 VanDerWaalsContact C-N 3.33Å; I20-S22 PolarHBondContact O-N 2.96Å; I20-I23 PolarHBondContact O-N 3.5Å; I20-Y24 WeakPolarHBondContact O-CB 3.16Å; I20-Y24 PolarHBondContact O-N 3.17Å
21S54.9Low55.3Low50 Ų5072.5 Ų72.535%0.3543%0.429SS..Hα-helixtrans-61.2-44177.8-58.40000110.6I17 L18 V19 I23 Y24 A25I17-S21 VanDerWaalsContact O-CB 3.23Å; I17-S21 WeakPolarHBondContact O-CB 3.36Å; I17-S21 PolarHBondContact O-N 2.81Å; I17-S21 PolarHBondContact O-OG 2.9Å; L18-S21 PolarHBondContact O-N 3.49Å; V19-S21 VanDerWaalsContact C-N 3.32Å; V19-S21 PolarHBondContact O-N 3.47Å; S21-I23 PolarHBondContact O-N 2.92Å; S21-Y24 PolarHBondContact O-N 3.37Å; S21-A25 VanDerWaalsContact O-CB 3.22Å; S21-A25 WeakPolarHBondContact O-CB 3.41Å; S21-A25 PolarHBondContact O-N 2.86Å
22S54.2Low54.3Low18 Ų1877 Ų7713%0.12646%0.463CS..Hα-helixtrans-64.2-35.917771.10000113.9L18 V19 I20 G26L18-S22 WeakPolarHBondContact O-CB 3.5Å; L18-S22 PolarHBondContact O-N 3.29Å; L18-S22 PolarHBondContact O-OG 3.05Å; V19-S22 PolarHBondContact O-N 3.5Å; V19-S22 PolarHBondContact O-OG 3.09Å; I20-S22 VanDerWaalsContact C-N 3.33Å; I20-S22 PolarHBondContact O-N 2.96Å; S22-G26 PolarHBondContact O-N 3.47Å
23I52.8Low53.4Low102 Ų10279.8 Ų79.852%0.52348%0.475SS..Hα-helixtrans-69.2-44.6175.6-66.9167.3000110.1V19 I20 S21 G26 S27V19-I23 HydrophobicContact CG1-CD1 3.82Å; V19-I23 WeakPolarHBondContact O-CG1 3.44Å; V19-I23 PolarHBondContact O-N 2.83Å; I20-I23 PolarHBondContact O-N 3.5Å; S21-I23 PolarHBondContact O-N 2.92Å; I23-G26 PolarHBondContact O-N 2.81Å; I23-S27 PolarHBondContact O-N 3.4Å; I23-S27 VanDerWaalsContact O-N 3.15Å
24Y51.4Low52.9Low171 Ų17182 Ų8267%0.67148%0.483SS*.Hα-helixtrans-67.6-41.6-178.2-159.3-97.7000111.8I20 S21 G26 S27 S28I20-Y24 WeakPolarHBondContact O-CB 3.16Å; I20-Y24 PolarHBondContact O-N 3.17Å; S21-Y24 PolarHBondContact O-N 3.37Å; Y24-G26 VanDerWaalsContact C-N 3.3Å; Y24-G26 PolarHBondContact O-N 3.24Å; Y24-S27 PolarHBondContact O-N 3.03Å; Y24-S27 VanDerWaalsContact O-N 3.1Å; Y24-S28 PolarHBondContact O-N 3.44Å; Y24-S28 VanDerWaalsContact O-N 3.14Å; Y24-S28 PolarHBondContact O-OG 3.45Å
25A51.8Low52.2Low19 Ų1988.7 Ų88.716%0.15750%0.503CS..Hα-helixtrans-53.8-45.417300000112.6S21 S27 E37S21-A25 VanDerWaalsContact O-CB 3.22Å; S21-A25 WeakPolarHBondContact O-CB 3.41Å; S21-A25 PolarHBondContact O-N 2.86Å; A25-S27 VanDerWaalsContact C-N 3.32Å; A25-S27 PolarHBondContact O-N 3.46Å; A25-E37 WeakPolarHBondContact CB-OE1 3.24Å
26G45.8Very low51.5Low58 Ų5891.3 Ų91.360%0.59852%0.522SS*.Hα-helixtrans-72.9-22.1179.300000114.2S22 I23 Y24S22-G26 PolarHBondContact O-N 3.47Å; I23-G26 PolarHBondContact O-N 2.81Å; Y24-G26 VanDerWaalsContact C-N 3.3Å; Y24-G26 PolarHBondContact O-N 3.24Å
27S48.5Very low50.9Low99 Ų9992.5 Ų92.569%0.69253%0.526SS*.Hα-helixtrans-87.1-34.7-176.9-169.80000112.9I23 Y24 A25 T29I23-S27 PolarHBondContact O-N 3.4Å; I23-S27 VanDerWaalsContact O-N 3.15Å; Y24-S27 PolarHBondContact O-N 3.03Å; Y24-S27 VanDerWaalsContact O-N 3.1Å; A25-S27 VanDerWaalsContact C-N 3.32Å; A25-S27 PolarHBondContact O-N 3.46Å; S27-T29 PolarHBondContact O-N 3.04Å
28S43.6Very low50.2Low81 Ų8189.6 Ų89.657%0.56651%0.511SS*.Hα-helixtrans-83.1-10.4-171.155.50000116Y24Y24-S28 PolarHBondContact O-N 3.44Å; Y24-S28 VanDerWaalsContact O-N 3.14Å; Y24-S28 PolarHBondContact O-OG 3.45Å
29T45.4Very low49.9Very low82 Ų8295 Ų9550%0.50354%0.535SS..  trans-138.9105.4179.751.30000110.7S27 E31S27-T29 PolarHBondContact O-N 3.04Å; T29-E31 PolarHBondContact O-N 3.44Å
30G48.8Very low49.5Very low93 Ų93103 Ų10396%0.95956%0.562SS**SBendtrans-64.424.7163.200000114
31E42Very low49.3Very low145 Ų14599.1 Ų99.168%0.67854%0.542SS*.SBendtrans-132.9122.8-180-73.6-168.690.500109.6T29 K33T29-E31 PolarHBondContact O-N 3.44Å; E31-K33 PolarHBondContact O-N 2.94Å
32S41Very low49.3Very low117 Ų117101.7 Ų101.782%0.81855%0.55SS**  trans-62.256-177.7-45.50000114.9L34S32-L34 PolarHBondContact O-N 2.88Å; S32-L34 VanDerWaalsContact O-N 3.12Å
33K42.8Very low49.3Very low175 Ų175107 Ų10776%0.76157%0.572SS**  trans-84.856.5163.9-72.3-175.5-179.5171.70110.2E31 Y35E31-K33 PolarHBondContact O-N 2.94Å; K33-Y35 PolarHBondContact O-N 3.16Å; K33-Y35 VanDerWaalsContact O-N 3.08Å
34L47.7Very low49.4Very low101 Ų101103.1 Ų103.153%0.52956%0.558SS.*  trans-75.210-166.8-15766.7000115.6S32 N38S32-L34 PolarHBondContact O-N 2.88Å; S32-L34 VanDerWaalsContact O-N 3.12Å; L34-N38 WeakPolarHBondContact CD1-ND2 3.37Å; L34-N38 WeakPolarHBondContact CG-ND2 3.47Å; L34-N38 PolarHBondContact O-ND2 2.96Å
35Y50.3Low49.8Very low194 Ų19495.9 Ų95.976%0.76153%0.531SS*.SBendtrans-112.6-39.3-159.8-77.2-85.5000118.3K33K33-Y35 PolarHBondContact O-N 3.16Å; K33-Y35 VanDerWaalsContact O-N 3.08Å
36P52.9Low50Low81 Ų8198.5 Ų98.553%0.52655%0.548SS..Hα-helixtrans-84.3-32.1178.929-30.9000113.5Q39 R40P36-Q39 PolarHBondContact O-N 2.84Å; P36-R40 PolarHBondContact O-N 3.42Å
37E49.9Very low50.5Low99 Ų9999 Ų9946%0.46354%0.539SS..Hα-helixtrans-80-41.8-171.1-160.2168.913300112.5A25 Q39 R40 I41A25-E37 WeakPolarHBondContact CB-OE1 3.24Å; E37-Q39 PolarHBondContact O-N 2.94Å; E37-R40 WeakPolarHBondContact O-CB 3.49Å; E37-R40 PolarHBondContact O-N 3.47Å; E37-R40 VanDerWaalsContact O-N 3.08Å; E37-I41 WeakPolarHBondContact O-CG1 3.35Å; E37-I41 PolarHBondContact O-N 3.48Å
38N49.6Very low50.8Low39 Ų3995.2 Ų95.221%0.20951%0.512CS..Hα-helixtrans-58.6-34.4170.7-73.4-29.9000111.9L34 I41 M42L34-N38 WeakPolarHBondContact CD1-ND2 3.37Å; L34-N38 WeakPolarHBondContact CG-ND2 3.47Å; L34-N38 PolarHBondContact O-ND2 2.96Å; N38-I41 PolarHBondContact O-N 3.23Å; N38-M42 WeakPolarHBondContact O-CB 3.47Å; N38-M42 WeakPolarHBondContact O-CG 3.37Å; N38-M42 PolarHBondContact O-N 3.36Å
39Q53.3Low51.6Low137 Ų13792 Ų9264%0.6449%0.488SS*.Hα-helixtrans-66.5-40.4175.7-169179.711.800111.8P36 E37 M42 H43P36-Q39 PolarHBondContact O-N 2.84Å; E37-Q39 PolarHBondContact O-N 2.94Å; Q39-M42 PolarHBondContact O-N 3.44Å; Q39-H43 WeakPolarHBondContact O-CB 3.46Å; Q39-H43 PolarHBondContact O-N 3.45Å
40R53.9Low52.1Low202 Ų20291.2 Ų91.276%0.76249%0.486SS*.Hα-helixtrans-64.5-40.6173.5-70179.6-178.7-176.90.3111.7P36 E37 H43 G44P36-R40 PolarHBondContact O-N 3.42Å; E37-R40 WeakPolarHBondContact O-CB 3.49Å; E37-R40 PolarHBondContact O-N 3.47Å; E37-R40 VanDerWaalsContact O-N 3.08Å; R40-H43 PolarHBondContact O-N 2.98Å; R40-G44 PolarHBondContact O-N 3.25Å
41I53.7Low52.4Low19 Ų1990.8 Ų90.810%0.09746%0.464CS..Hα-helixtrans-63.3-48.3175.8-65.9164.9000110L18 E37 N38 H43 G44 I45L18-I41 HydrophobicContact CD2-CG2 4.34Å; E37-I41 WeakPolarHBondContact O-CG1 3.35Å; E37-I41 PolarHBondContact O-N 3.48Å; N38-I41 PolarHBondContact O-N 3.23Å; I41-H43 VanDerWaalsContact C-N 3.31Å; I41-H43 PolarHBondContact O-N 2.93Å; I41-G44 PolarHBondContact O-N 3.06Å; I41-G44 VanDerWaalsContact O-N 3.17Å; I41-I45 HydrophobicContact CG2-CD1 3.86Å; I41-I45 HydrophobicContact CG2-CG1 4.39Å; I41-I45 VanDerWaalsContact O-CG1 3.28Å; I41-I45 WeakPolarHBondContact O-CG1 3.37Å; I41-I45 PolarHBondContact O-N 3.2Å
42M54.7Low53.3Low104 Ų10483.9 Ų83.951%0.51243%0.432SS..Hα-helixtrans-61.7-38.3176.5-72.3-149.9-61.900112.3N38 Q39 I45 S46 I87N38-M42 WeakPolarHBondContact O-CB 3.47Å; N38-M42 WeakPolarHBondContact O-CG 3.37Å; N38-M42 PolarHBondContact O-N 3.36Å; Q39-M42 PolarHBondContact O-N 3.44Å; M42-I45 PolarHBondContact O-N 2.97Å; M42-S46 WeakPolarHBondContact O-CB 3.2Å; M42-S46 PolarHBondContact O-N 3.32Å; M42-I87 HydrophobicContact SD-CG2 4.34Å
43H55.4Low54.1Low128 Ų12882.2 Ų82.259%0.59341%0.411SS*.Hα-helixtrans-64.5-44.4173.6-17367.7000111.7Q39 R40 I41 S46 V47Q39-H43 WeakPolarHBondContact O-CB 3.46Å; Q39-H43 PolarHBondContact O-N 3.45Å; R40-H43 PolarHBondContact O-N 2.98Å; I41-H43 VanDerWaalsContact C-N 3.31Å; I41-H43 PolarHBondContact O-N 2.93Å; H43-S46 WeakPolarHBondContact O-CB 3.39Å; H43-S46 PolarHBondContact O-N 3.45Å; H43-S46 VanDerWaalsContact O-N 3.16Å; H43-V47 WeakPolarHBondContact O-CG2 3.43Å; H43-V47 PolarHBondContact O-N 2.85Å
44G54.5Low55.2Low22 Ų2278.5 Ų78.523%0.22741%0.408CS..Hα-helixtrans-59.9-45.2174.800000112.4R40 I41 S46 V47 V48R40-G44 PolarHBondContact O-N 3.25Å; I41-G44 PolarHBondContact O-N 3.06Å; I41-G44 VanDerWaalsContact O-N 3.17Å; G44-S46 VanDerWaalsContact C-N 3.33Å; G44-S46 PolarHBondContact O-N 2.85Å; G44-V47 PolarHBondContact O-N 3.22Å; G44-V48 WeakPolarHBondContact O-CG2 3.46Å; G44-V48 PolarHBondContact O-N 3.34Å
45I60Low56.1Low19 Ų1975.4 Ų75.410%0.09739%0.394CS..Hα-helixtrans-57.4-47.7172.6-67.6167.1000109.9L18 I41 M42 V47 V48 M49 V91L18-I45 HydrophobicContact CD1-CB 4.48Å; L18-I45 HydrophobicContact CD1-CG1 3.74Å; L18-I45 HydrophobicContact CD2-CG1 4.47Å; L18-I45 HydrophobicContact CG-CG1 4.5Å; I41-I45 HydrophobicContact CG2-CD1 3.86Å; I41-I45 HydrophobicContact CG2-CG1 4.39Å; I41-I45 VanDerWaalsContact O-CG1 3.28Å; I41-I45 WeakPolarHBondContact O-CG1 3.37Å; I41-I45 PolarHBondContact O-N 3.2Å; M42-I45 PolarHBondContact O-N 2.97Å; I45-V47 PolarHBondContact O-N 3.49Å; I45-V48 PolarHBondContact O-N 2.87Å; I45-M49 HydrophobicContact CG2-CE 4.37Å; I45-M49 HydrophobicContact CG2-CG 4.19Å; I45-M49 WeakPolarHBondContact O-CB 3.39Å; I45-M49 VanDerWaalsContact O-CG 3.24Å; I45-M49 WeakPolarHBondContact O-CG 3.42Å; I45-M49 PolarHBondContact O-N 2.82Å; I45-V91 HydrophobicContact CG2-CB 4.46Å; I45-V91 HydrophobicContact CG2-CG1 3.94Å
46S56.6Low56.9Low73 Ų7370.9 Ų70.951%0.5138%0.384SS..Hα-helixtrans-61.7-41.9-178.9-179.90000113.2M42 H43 G44 M49 S50M42-S46 WeakPolarHBondContact O-CB 3.2Å; M42-S46 PolarHBondContact O-N 3.32Å; H43-S46 WeakPolarHBondContact O-CB 3.39Å; H43-S46 PolarHBondContact O-N 3.45Å; H43-S46 VanDerWaalsContact O-N 3.16Å; G44-S46 VanDerWaalsContact C-N 3.33Å; G44-S46 PolarHBondContact O-N 2.85Å; S46-M49 PolarHBondContact O-N 3.45Å; S46-S50 PolarHBondContact O-N 3.38Å
47V55.6Low57.5Low70 Ų7070 Ų7042%0.42438%0.376SS..Hα-helixtrans-66.5-39176.4172.80000111.2H43 G44 I45 S50 V51H43-V47 WeakPolarHBondContact O-CG2 3.43Å; H43-V47 PolarHBondContact O-N 2.85Å; G44-V47 PolarHBondContact O-N 3.22Å; I45-V47 PolarHBondContact O-N 3.49Å; V47-S50 PolarHBondContact O-N 3.45Å; V47-S50 PolarHBondContact O-OG 3.24Å; V47-V51 WeakPolarHBondContact O-CG2 3.23Å; V47-V51 PolarHBondContact O-N 3.24Å; V47-V51 VanDerWaalsContact O-N 3.17Å
48V55.6Low58Low19 Ų1965.4 Ų65.412%0.11536%0.355CS..Hα-helixtrans-67.7-41.3177.5172.60000110.7V14 L18 G44 I45 S50 V51 I52V14-V48 HydrophobicContact CB-CG1 4.45Å; V14-V48 HydrophobicContact CB-CG2 3.91Å; V14-V48 HydrophobicContact CG1-CB 4.45Å; V14-V48 HydrophobicContact CG1-CG1 4.49Å; V14-V48 HydrophobicContact CG1-CG2 3.22Å; V14-V48 HydrophobicContact CG2-CG2 4.49Å; L18-V48 HydrophobicContact CD1-CG2 4.33Å; G44-V48 WeakPolarHBondContact O-CG2 3.46Å; G44-V48 PolarHBondContact O-N 3.34Å; I45-V48 PolarHBondContact O-N 2.87Å; V48-S50 VanDerWaalsContact C-N 3.33Å; V48-S50 PolarHBondContact O-N 2.68Å; V48-V51 PolarHBondContact O-N 2.88Å; V48-I52 HydrophobicContact CG1-CD1 3.71Å; V48-I52 HydrophobicContact CG1-CG1 4.35Å; V48-I52 WeakPolarHBondContact O-CD1 3.37Å; V48-I52 WeakPolarHBondContact O-CG1 3.34Å; V48-I52 PolarHBondContact O-N 3.49Å
49M59.2Low58.7Low12 Ų1263.5 Ų63.56%0.05935%0.345CS..Hα-helixtrans-61.9-39.6175.5-70.6-62.4168.300112I45 S46 V51 I52 E53 L62 V91 I92 T95I45-M49 HydrophobicContact CG2-CE 4.37Å; I45-M49 HydrophobicContact CG2-CG 4.19Å; I45-M49 WeakPolarHBondContact O-CB 3.39Å; I45-M49 VanDerWaalsContact O-CG 3.24Å; I45-M49 WeakPolarHBondContact O-CG 3.42Å; I45-M49 PolarHBondContact O-N 2.82Å; S46-M49 PolarHBondContact O-N 3.45Å; M49-V51 VanDerWaalsContact C-N 3.34Å; M49-V51 PolarHBondContact O-N 2.82Å; M49-I52 PolarHBondContact O-N 2.94Å; M49-I52 HydrophobicContact SD-CD1 4.1Å; M49-E53 WeakPolarHBondContact O-CB 3.23Å; M49-E53 WeakPolarHBondContact O-CG 3.5Å; M49-E53 PolarHBondContact O-N 2.95Å; M49-L62 HydrophobicContact CE-CD1 4.34Å; M49-L62 HydrophobicContact CE-CD2 3.94Å; M49-L62 HydrophobicContact SD-CD2 3.6Å; M49-V91 HydrophobicContact CE-CG1 3.82Å; M49-V91 HydrophobicContact CG-CG1 3.63Å; M49-V91 HydrophobicContact SD-CG1 4.1Å; M49-I92 HydrophobicContact CE-CG1 3.6Å; M49-T95 HydrophobicContact SD-CG2 4.19Å
50S56.9Low59.2Low67 Ų6759.8 Ų59.847%0.46933%0.334SS..Hα-helixtrans-66.8-34.7176.667.70000112.9S46 V47 V48 S54S46-S50 PolarHBondContact O-N 3.38Å; V47-S50 PolarHBondContact O-N 3.45Å; V47-S50 PolarHBondContact O-OG 3.24Å; V48-S50 VanDerWaalsContact C-N 3.33Å; V48-S50 PolarHBondContact O-N 2.68Å; S50-S54 PolarHBondContact O-N 3.06Å
51V55.4Low59.4Low83 Ų8356 Ų5650%0.50332%0.32SS..Hα-helixtrans-67.2-42.2171.8175.10000110.8V47 V48 M49 S54V47-V51 WeakPolarHBondContact O-CG2 3.23Å; V47-V51 PolarHBondContact O-N 3.24Å; V47-V51 VanDerWaalsContact O-N 3.17Å; V48-V51 PolarHBondContact O-N 2.88Å; M49-V51 VanDerWaalsContact C-N 3.34Å; M49-V51 PolarHBondContact O-N 2.82Å; V51-S54 PolarHBondContact O-N 3.04Å; V51-S54 PolarHBondContact O-OG 3.45Å
52I59.2Low59.8Low0 Ų055.6 Ų55.60%032%0.318CS..Hα-helixtrans-62.9-44.5176.9-67.4163.4000111.1I11 V48 M49 S54 S55 A58 V59 L62I11-I52 HydrophobicContact CB-CG1 4.3Å; I11-I52 HydrophobicContact CD1-CG1 3.66Å; I11-I52 HydrophobicContact CG1-CD1 4.36Å; I11-I52 HydrophobicContact CG1-CG1 3.68Å; I11-I52 HydrophobicContact CG2-CD1 3.45Å; I11-I52 VanDerWaalsContact CG2-CD1 3.45Å; I11-I52 HydrophobicContact CG2-CG1 3.66Å; V48-I52 HydrophobicContact CG1-CD1 3.71Å; V48-I52 HydrophobicContact CG1-CG1 4.35Å; V48-I52 WeakPolarHBondContact O-CD1 3.37Å; V48-I52 WeakPolarHBondContact O-CG1 3.34Å; V48-I52 PolarHBondContact O-N 3.49Å; M49-I52 PolarHBondContact O-N 2.94Å; M49-I52 HydrophobicContact SD-CD1 4.1Å; I52-S54 PolarHBondContact O-N 3.27Å; I52-S54 VanDerWaalsContact O-N 3.08Å; I52-S55 PolarHBondContact O-N 3.4Å; I52-A58 HydrophobicContact CB-CB 4.32Å; I52-A58 HydrophobicContact CG1-CB 4.46Å; I52-A58 HydrophobicContact CG2-CB 3.9Å; I52-V59 HydrophobicContact CG2-CB 4.21Å; I52-V59 HydrophobicContact CG2-CG2 3.72Å; I52-V59 WeakPolarHBondContact O-CG2 3.46Å; I52-L62 HydrophobicContact CD1-CD1 4.08Å; I52-L62 HydrophobicContact CD1-CD2 4.1Å; I52-L62 HydrophobicContact CG2-CB 4.29Å; I52-L62 HydrophobicContact CG2-CD2 3.94Å
53E59.5Low60.1Low82 Ų8251.8 Ų51.838%0.38330%0.301SS..Hα-helixtrans-56.6-24.7177.3-78.1-171.4171.800112.9M49 S55 T95 K98M49-E53 WeakPolarHBondContact O-CB 3.23Å; M49-E53 WeakPolarHBondContact O-CG 3.5Å; M49-E53 PolarHBondContact O-N 2.95Å; E53-S55 VanDerWaalsContact C-N 3.28Å; E53-S55 PolarHBondContact O-N 2.97Å; E53-T95 HydrophobicContact CG-CG2 4.07Å; E53-K98 VanDerWaalsContact CD-NZ 3.26Å; E53-K98 IonicContact OE1-NZ 2.84Å; E53-K98 PolarHBondContact OE1-NZ 3.03Å; E53-K98 IonicContact OE2-NZ 2.96Å; E53-K98 PolarHBondContact OE2-NZ 3.43Å
54S65.3Low60.5Low98 Ų9850.7 Ų50.769%0.68530%0.303SS*.THydrogen-bonded Turntrans-79.1-5.2176.975.70000114.7S50 V51 I52S50-S54 PolarHBondContact O-N 3.06Å; V51-S54 PolarHBondContact O-N 3.04Å; V51-S54 PolarHBondContact O-OG 3.45Å; I52-S54 PolarHBondContact O-N 3.27Å; I52-S54 VanDerWaalsContact O-N 3.08Å
55S65.9Low60.6Low35 Ų3551 Ų5125%0.24531%0.307CS..  trans-133.8112.7-175.9173.30000112.2I52 E53 V57 A58 V59I52-S55 PolarHBondContact O-N 3.4Å; E53-S55 VanDerWaalsContact C-N 3.28Å; E53-S55 PolarHBondContact O-N 2.97Å; S55-V57 PolarHBondContact O-N 3.39Å; S55-V57 VanDerWaalsContact O-N 3.14Å; S55-A58 WeakPolarHBondContact O-CA 3.36Å; S55-A58 VanDerWaalsContact O-CB 3.32Å; S55-A58 WeakPolarHBondContact O-CB 2.96Å; S55-A58 PolarHBondContact O-N 3.48Å; S55-A58 PolarHBondContact OG-N 3.13Å; S55-V59 PolarHBondContact O-N 3.21Å
56D66.5Low60.6Low100 Ų10051.9 Ų51.954%0.53531%0.31SS..Hα-helixtrans-54.4-37.3178.8-65.7-21.3000113.1S60 F99D56-S60 WeakPolarHBondContact O-CB 3.37Å; D56-S60 PolarHBondContact O-N 3.33Å; D56-F99 HydrophobicContact CB-CE2 4.07Å; D56-F99 HydrophobicContact CB-CZ 3.9Å; D56-F99 WeakPolarHBondContact O-CZ 3.15Å; D56-F99 WeakPolarHBondContact OD1-CE2 3.38Å
57V65.7Low60.7Low62 Ų6253.2 Ų53.238%0.37632%0.316SS..Hα-helixtrans-70.2-40.9178.8-1780000110.6S55 S60 R61S55-V57 PolarHBondContact O-N 3.39Å; S55-V57 VanDerWaalsContact O-N 3.14Å; V57-S60 PolarHBondContact O-N 2.85Å; V57-R61 WeakPolarHBondContact O-CG 3.38Å; V57-R61 PolarHBondContact O-N 3.35Å; V57-R61 VanDerWaalsContact O-N 3.09Å
58A61.8Low60.8Low2 Ų256 Ų562%0.01732%0.322CS..Hα-helixtrans-61.6-48.4177.800000111.2I11 I52 S55 R61 L62I11-A58 HydrophobicContact CD1-CB 3.26Å; I52-A58 HydrophobicContact CB-CB 4.32Å; I52-A58 HydrophobicContact CG1-CB 4.46Å; I52-A58 HydrophobicContact CG2-CB 3.9Å; S55-A58 WeakPolarHBondContact O-CA 3.36Å; S55-A58 VanDerWaalsContact O-CB 3.32Å; S55-A58 WeakPolarHBondContact O-CB 2.96Å; S55-A58 PolarHBondContact O-N 3.48Å; S55-A58 PolarHBondContact OG-N 3.13Å; A58-R61 PolarHBondContact O-N 2.94Å; A58-L62 WeakPolarHBondContact O-CB 3.28Å; A58-L62 PolarHBondContact O-N 3.44Å
59V63.6Low60.7Low0 Ų056.2 Ų56.20%032%0.323CS..Hα-helixtrans-65.9-43.8-179.8-169.10000110.9I52 S55 R61 L62 C63 T95 F99I52-V59 HydrophobicContact CG2-CB 4.21Å; I52-V59 HydrophobicContact CG2-CG2 3.72Å; I52-V59 WeakPolarHBondContact O-CG2 3.46Å; S55-V59 PolarHBondContact O-N 3.21Å; V59-R61 PolarHBondContact O-N 2.03Å; V59-L62 WeakPolarHBondContact O-CB 2.94Å; V59-L62 PolarHBondContact O-N 3.08Å; V59-C63 PolarHBondContact O-N 2.87Å; V59-C63 PolarHBondContact O-SG 3.22Å; V59-T95 HydrophobicContact CG1-CG2 4.3Å; V59-F99 HydrophobicContact CB-CB 4.1Å; V59-F99 HydrophobicContact CB-CD1 3.8Å; V59-F99 HydrophobicContact CB-CD2 3.63Å; V59-F99 HydrophobicContact CB-CE1 4.07Å; V59-F99 HydrophobicContact CB-CE2 3.93Å; V59-F99 HydrophobicContact CB-CG 3.55Å; V59-F99 HydrophobicContact CB-CZ 4.14Å; V59-F99 HydrophobicContact CG1-CB 3.3Å; V59-F99 HydrophobicContact CG1-CD1 3.53Å; V59-F99 HydrophobicContact CG1-CD2 3.83Å; V59-F99 HydrophobicContact CG1-CE1 4.28Å; V59-F99 HydrophobicContact CG1-CG 3.26Å; V59-F99 HydrophobicContact CG2-CB 4.38Å; V59-F99 HydrophobicContact CG2-CD2 3.63Å; V59-F99 HydrophobicContact CG2-CE2 4.03Å; V59-F99 HydrophobicContact CG2-CG 3.99Å
60S64.8Low60.7Low58 Ų5857.1 Ų57.141%0.40633%0.332SS..Hα-helixtrans-56.6-38.6177.6-175.60000112.3D56 V57 V64D56-S60 WeakPolarHBondContact O-CB 3.37Å; D56-S60 PolarHBondContact O-N 3.33Å; V57-S60 PolarHBondContact O-N 2.85Å; S60-V64 WeakPolarHBondContact O-CG2 3.47Å; S60-V64 PolarHBondContact O-N 2.83Å
61R57.6Low60.6Low123 Ų12356.8 Ų56.846%0.46433%0.33SS..Hα-helixtrans-76.2-34176.8-69.1-165.9-166.7-176.3-1.3112.8C8 V57 A58 V59 C63 V64 G65C8-R61 WeakPolarHBondContact SG-CD 3.32Å; C8-R61 VanDerWaalsContact SG-CZ 3.54Å; C8-R61 PolarHBondContact SG-NE 3.14Å; C8-R61 PolarHBondContact SG-NH1 3.27Å; V57-R61 WeakPolarHBondContact O-CG 3.38Å; V57-R61 PolarHBondContact O-N 3.35Å; V57-R61 VanDerWaalsContact O-N 3.09Å; A58-R61 PolarHBondContact O-N 2.94Å; V59-R61 PolarHBondContact O-N 2.03Å; R61-C63 VanDerWaalsContact C-N 3.28Å; R61-C63 PolarHBondContact O-N 3.49Å; R61-V64 PolarHBondContact O-N 3.28Å; R61-G65 PolarHBondContact O-N 2.87Å
62L62Low60.4Low10 Ų1055.5 Ų55.55%0.05232%0.32CS..Hα-helixtrans-58.2-43.8173.2-17271.1000110.8I15 M49 I52 A58 V59 V64 G65 E66 I92 T95I15-L62 HydrophobicContact CD1-CD1 3.5Å; M49-L62 HydrophobicContact CE-CD1 4.34Å; M49-L62 HydrophobicContact CE-CD2 3.94Å; M49-L62 HydrophobicContact SD-CD2 3.6Å; I52-L62 HydrophobicContact CD1-CD1 4.08Å; I52-L62 HydrophobicContact CD1-CD2 4.1Å; I52-L62 HydrophobicContact CG2-CB 4.29Å; I52-L62 HydrophobicContact CG2-CD2 3.94Å; A58-L62 WeakPolarHBondContact O-CB 3.28Å; A58-L62 PolarHBondContact O-N 3.44Å; V59-L62 WeakPolarHBondContact O-CB 2.94Å; V59-L62 PolarHBondContact O-N 3.08Å; L62-V64 VanDerWaalsContact C-N 3.33Å; L62-V64 PolarHBondContact O-N 3.26Å; L62-G65 CarbonylContact O-C 3.51Å; L62-G65 WeakPolarHBondContact O-CA 3.43Å; L62-G65 PolarHBondContact O-N 3.27Å; L62-E66 PolarHBondContact O-N 3.49Å; L62-I92 HydrophobicContact CD1-CD1 4.31Å; L62-I92 HydrophobicContact CD1-CG1 4.08Å; L62-I92 HydrophobicContact CD2-CG1 4.37Å; L62-I92 HydrophobicContact CD2-CG2 4.4Å; L62-I92 HydrophobicContact CG-CG1 4.26Å; L62-I92 HydrophobicContact CG-CG2 4.02Å; L62-T95 HydrophobicContact CD2-CG2 4.01Å
63C61.9Low60.1Low24 Ų2457.3 Ų57.316%0.16233%0.332CS..Hα-helixtrans-67.6-31.2179-52.90000113.4V59 R61 G65 E66 C96V59-C63 PolarHBondContact O-N 2.87Å; V59-C63 PolarHBondContact O-SG 3.22Å; R61-C63 VanDerWaalsContact C-N 3.28Å; R61-C63 PolarHBondContact O-N 3.49Å; C63-G65 VanDerWaalsContact C-N 3.32Å; C63-E66 VanDerWaalsContact O-CB 3.27Å; C63-E66 WeakPolarHBondContact O-CB 3.34Å; C63-E66 PolarHBondContact O-N 3.34Å; C63-C96 WeakPolarHBondContact CA-SG 3.47Å; C63-C96 HydrophobicContact CB-CB 3.97Å; C63-C96 WeakPolarHBondContact CB-SG 3.34Å; C63-C96 PolarHBondContact N-SG 3.44Å; C63-C96 WeakPolarHBondContact SG-CA 3.35Å; C63-C96 WeakPolarHBondContact SG-CB 3.37Å; C63-C96 CovalentContact SG-SG 2.03Å; C63-C96 PolarHBondContact SG-SG 3.49Å
64V62Low60Low105 Ų10559.9 Ų59.964%0.63635%0.348SS*.Hα-helixtrans-66.8-38.2169.9176.10000110.6S60 R61 L62 E66 T67S60-V64 WeakPolarHBondContact O-CG2 3.47Å; S60-V64 PolarHBondContact O-N 2.83Å; R61-V64 PolarHBondContact O-N 3.28Å; L62-V64 VanDerWaalsContact C-N 3.33Å; L62-V64 PolarHBondContact O-N 3.26Å; V64-E66 VanDerWaalsContact C-N 3.29Å; V64-E66 PolarHBondContact O-N 3.09Å; V64-T67 PolarHBondContact O-N 2.94Å
65G57.7Low59.2Low29 Ų2958 Ų5830%0.29935%0.345SS..Hα-helixtrans-66.6-26.9174.500000114R61 L62 C63 T67 F68 L69R61-G65 PolarHBondContact O-N 2.87Å; L62-G65 CarbonylContact O-C 3.51Å; L62-G65 WeakPolarHBondContact O-CA 3.43Å; L62-G65 PolarHBondContact O-N 3.27Å; C63-G65 VanDerWaalsContact C-N 3.32Å; G65-T67 VanDerWaalsContact C-N 3.33Å; G65-T67 PolarHBondContact O-N 3.04Å; G65-F68 WeakPolarHBondContact O-CB 3.32Å; G65-F68 PolarHBondContact O-N 2.93Å; G65-F68 VanDerWaalsContact O-N 3.15Å; G65-L69 PolarHBondContact O-N 3.45Å
66E59.3Low58.2Low37 Ų3761.1 Ų61.117%0.17336%0.356CS..Hα-helixtrans-55.5-47.9174.4-168.4-172.8160.200111.5L62 C63 V64 F68 L69 A70 I92 N93L62-E66 PolarHBondContact O-N 3.49Å; C63-E66 VanDerWaalsContact O-CB 3.27Å; C63-E66 WeakPolarHBondContact O-CB 3.34Å; C63-E66 PolarHBondContact O-N 3.34Å; V64-E66 VanDerWaalsContact C-N 3.29Å; V64-E66 PolarHBondContact O-N 3.09Å; E66-F68 PolarHBondContact O-N 3.33Å; E66-L69 PolarHBondContact O-N 3.31Å; E66-L69 VanDerWaalsContact O-N 3.13Å; E66-A70 WeakPolarHBondContact O-CB 3.4Å; E66-A70 PolarHBondContact O-N 3.37Å; E66-I92 HydrophobicContact CB-CG2 3.54Å; E66-I92 HydrophobicContact CG-CG2 3.73Å; E66-N93 WeakPolarHBondContact OE1-CB 3.39Å; E66-N93 PolarHBondContact OE1-ND2 3.41Å
67T59.3Low57.2Low102 Ų10265.8 Ų65.863%0.62637%0.374SS*.Hα-helixtrans-60-37.8178.9-49.20000111.4V64 G65 S71V64-T67 PolarHBondContact O-N 2.94Å; G65-T67 VanDerWaalsContact C-N 3.33Å; G65-T67 PolarHBondContact O-N 3.04Å; T67-S71 WeakPolarHBondContact O-CB 3.22Å; T67-S71 PolarHBondContact O-N 2.87Å
68F57.3Low56.3Low127 Ų12765.4 Ų65.456%0.55738%0.383SS*.Hα-helixtrans-66.2-45.4175.4-179.2-102.7000111.5G65 E66 S71 L72G65-F68 WeakPolarHBondContact O-CB 3.32Å; G65-F68 PolarHBondContact O-N 2.93Å; G65-F68 VanDerWaalsContact O-N 3.15Å; E66-F68 PolarHBondContact O-N 3.33Å; F68-S71 PolarHBondContact O-N 3.47Å; F68-S71 PolarHBondContact O-OG 3.32Å; F68-L72 HydrophobicContact CD1-CD1 3.93Å; F68-L72 HydrophobicContact CD1-CG 4.46Å; F68-L72 HydrophobicContact CE1-CD1 3.48Å; F68-L72 VanDerWaalsContact CE1-CD1 3.48Å; F68-L72 HydrophobicContact CE1-CG 4.13Å; F68-L72 HydrophobicContact CZ-CD1 4.04Å; F68-L72 HydrophobicContact CZ-CD2 4.37Å; F68-L72 HydrophobicContact CZ-CG 4.29Å; F68-L72 WeakPolarHBondContact O-CG 3.27Å; F68-L72 PolarHBondContact O-N 3.46Å
69L54.5Low55.4Low25 Ų2573 Ų7313%0.13142%0.418CS..Hα-helixtrans-67.7-38177.9-71.3164.6000112.8G65 E66 S71 L72 S73 M88 V89 I92G65-L69 PolarHBondContact O-N 3.45Å; E66-L69 PolarHBondContact O-N 3.31Å; E66-L69 VanDerWaalsContact O-N 3.13Å; L69-S71 VanDerWaalsContact C-N 3.31Å; L69-L72 HydrophobicContact CD2-CD1 4.22Å; L69-L72 WeakPolarHBondContact O-CB 3.44Å; L69-L72 PolarHBondContact O-N 3.14Å; L69-S73 PolarHBondContact O-N 3.1Å; L69-M88 HydrophobicContact CD1-CE 3.74Å; L69-M88 HydrophobicContact CD2-CE 4.29Å; L69-V89 HydrophobicContact CB-CG2 3.86Å; L69-I92 HydrophobicContact CD1-CD1 3.18Å
70A58.1Low54.7Low31 Ų3177.5 Ų77.526%0.25644%0.435SS..Hα-helixtrans-60.3-43.317100000110.5E66 L72 S73 D74E66-A70 WeakPolarHBondContact O-CB 3.4Å; E66-A70 PolarHBondContact O-N 3.37Å; A70-L72 VanDerWaalsContact C-N 3.29Å; A70-L72 PolarHBondContact O-N 2.89Å; A70-S73 WeakPolarHBondContact O-CA 2.93Å; A70-S73 VanDerWaalsContact O-CB 3.31Å; A70-S73 WeakPolarHBondContact O-CB 3.33Å; A70-S73 PolarHBondContact O-N 3.44Å; A70-D74 PolarHBondContact O-N 3.25Å
71S55.7Low54.1Low60 Ų6080.5 Ų80.542%0.4244%0.443SS..Hα-helixtrans-64.2-32175.777.30000113.4T67 F68 L69 S73 G75T67-S71 WeakPolarHBondContact O-CB 3.22Å; T67-S71 PolarHBondContact O-N 2.87Å; F68-S71 PolarHBondContact O-N 3.47Å; F68-S71 PolarHBondContact O-OG 3.32Å; L69-S71 VanDerWaalsContact C-N 3.31Å; S71-S73 VanDerWaalsContact C-N 3.33Å; S71-G75 WeakPolarHBondContact O-CA 3.35Å; S71-G75 PolarHBondContact O-N 2.88Å
72L50.5Low54.1Low56 Ų5676.6 Ų76.629%0.29343%0.434SS..Hα-helixtrans-69.8-32.2172-71.6173.8000112.2F68 L69 A70F68-L72 HydrophobicContact CD1-CD1 3.93Å; F68-L72 HydrophobicContact CD1-CG 4.46Å; F68-L72 HydrophobicContact CE1-CD1 3.48Å; F68-L72 VanDerWaalsContact CE1-CD1 3.48Å; F68-L72 HydrophobicContact CE1-CG 4.13Å; F68-L72 HydrophobicContact CZ-CD1 4.04Å; F68-L72 HydrophobicContact CZ-CD2 4.37Å; F68-L72 HydrophobicContact CZ-CG 4.29Å; F68-L72 WeakPolarHBondContact O-CG 3.27Å; F68-L72 PolarHBondContact O-N 3.46Å; L69-L72 HydrophobicContact CD2-CD1 4.22Å; L69-L72 WeakPolarHBondContact O-CB 3.44Å; L69-L72 PolarHBondContact O-N 3.14Å; A70-L72 VanDerWaalsContact C-N 3.29Å; A70-L72 PolarHBondContact O-N 2.89Å
73S52.9Low54Low37 Ų3779.7 Ų79.726%0.25946%0.455SS..Hα-helixtrans-71.3-40.7174.4-174.60000112.1L69 A70 S71L69-S73 PolarHBondContact O-N 3.1Å; A70-S73 WeakPolarHBondContact O-CA 2.93Å; A70-S73 VanDerWaalsContact O-CB 3.31Å; A70-S73 WeakPolarHBondContact O-CB 3.33Å; A70-S73 PolarHBondContact O-N 3.44Å; S71-S73 VanDerWaalsContact C-N 3.33Å
74D56.9Low53.6Low136 Ų13681 Ų8173%0.72746%0.458SS*.Hα-helixtrans-83.7-32.7-176.6-69.4-18.6000112.9A70 H76A70-D74 PolarHBondContact O-N 3.25Å; D74-H76 VanDerWaalsContact C-N 3.34Å; D74-H76 PolarHBondContact O-N 3.45Å
75G49.9Very low53.5Low60 Ų6077 Ų7762%0.61943%0.434SS*.SBendtrans-81.2-2.6-171.200000116.1S71S71-G75 WeakPolarHBondContact O-CA 3.35Å; S71-G75 PolarHBondContact O-N 2.88Å
76H44.9Very low53.8Low100 Ų10082.5 Ų82.546%0.46345%0.445SS..  trans-130.792.4179.8-98.8-54.9000111.1D74 G78 Y80D74-H76 VanDerWaalsContact C-N 3.34Å; D74-H76 PolarHBondContact O-N 3.45Å; H76-G78 VanDerWaalsContact C-N 3.3Å; H76-G78 PolarHBondContact O-N 2.96Å; H76-Y80 HydrophobicContact CB-CD2 3.92Å; H76-Y80 AromaticContact CD2-CD2 3.76Å; H76-Y80 AromaticContact CD2-CE2 3.6Å
77E45.1Very low54Low197 Ų19784.3 Ų84.392%0.92146%0.455SS*.THydrogen-bonded Turntrans-53.194.4160.9-68.4-169.3127.500109.1
78G46.2Very low54Low54 Ų5480.2 Ų80.256%0.55743%0.429SS*.THydrogen-bonded Turntrans119-18161.900000118.7H76H76-G78 VanDerWaalsContact C-N 3.3Å; H76-G78 PolarHBondContact O-N 2.96Å
79H43.9Very low54.4Low163 Ų16375.5 Ų75.576%0.75541%0.411SS*.THydrogen-bonded Turntrans-114.5-20.9-171.1-84.9-71.4000117.2
80Y48Very low54.9Low93 Ų9376.3 Ų76.337%0.36543%0.425SS..SBendtrans-108.520.9179.4-70.4-63.1000114.6H76 S82 I85H76-Y80 HydrophobicContact CB-CD2 3.92Å; H76-Y80 AromaticContact CD2-CD2 3.76Å; H76-Y80 AromaticContact CD2-CE2 3.6Å; Y80-S82 PolarHBondContact O-N 2.68Å; Y80-I85 HydrophobicContact CD1-CD1 3.26Å; Y80-I85 HydrophobicContact CE1-CD1 4.16Å; Y80-I85 HydrophobicContact CG-CD1 3.86Å
81H51.8Low55.1Low122 Ų12277 Ų7757%0.56543%0.426SS*.  trans-72.113169.4-87.4-73.5000114.6P83H81-P83 WeakPolarHBondContact O-CD 3.49Å; H81-P83 VanDerWaalsContact O-N 3.14Å
82S58.1Low55.6Low40 Ų4074.2 Ų74.228%0.2841%0.406SS..  trans-54.8124.7174.980.40000108.4Y80 Q84 I85 R86Y80-S82 PolarHBondContact O-N 2.68Å; S82-Q84 PolarHBondContact O-N 3.39Å; S82-I85 PolarHBondContact O-N 2.92Å; S82-I85 WeakPolarHBondContact OG-CG1 3.28Å; S82-I85 PolarHBondContact OG-N 3.39Å; S82-R86 PolarHBondContact O-N 3.44Å
83P59.3Low56.4Low76 Ų7674.5 Ų74.549%0.49441%0.408SS..Hα-helixtrans-47.6-28.4175.2-29.835.2000113.1H81 R86 I87H81-P83 WeakPolarHBondContact O-CD 3.49Å; H81-P83 VanDerWaalsContact O-N 3.14Å; P83-R86 PolarHBondContact O-N 3.35Å; P83-I87 WeakPolarHBondContact O-CD1 3.32Å; P83-I87 VanDerWaalsContact O-CG1 3.24Å; P83-I87 WeakPolarHBondContact O-CG1 3.49Å; P83-I87 PolarHBondContact O-N 2.96Å
84Q54.9Low57Low50 Ų5075.6 Ų75.623%0.23442%0.42CS..Hα-helixtrans-63.7-45.7178.2-60.287.2-22.500113S82 R86 I87 M88S82-Q84 PolarHBondContact O-N 3.39Å; Q84-R86 VanDerWaalsContact C-N 3.35Å; Q84-I87 PolarHBondContact O-N 3.17Å; Q84-M88 WeakPolarHBondContact O-CB 3.19Å; Q84-M88 PolarHBondContact O-N 2.86Å
85I60.2Low57.2Low23 Ų2369.6 Ų69.612%0.11839%0.388CS..Hα-helixtrans-65.7-40.6177.3-70.7169.8000110.5Y80 S82 I87 M88 V89Y80-I85 HydrophobicContact CD1-CD1 3.26Å; Y80-I85 HydrophobicContact CE1-CD1 4.16Å; Y80-I85 HydrophobicContact CG-CD1 3.86Å; S82-I85 PolarHBondContact O-N 2.92Å; S82-I85 WeakPolarHBondContact OG-CG1 3.28Å; S82-I85 PolarHBondContact OG-N 3.39Å; I85-I87 PolarHBondContact O-N 3.46Å; I85-M88 WeakPolarHBondContact O-CB 3.49Å; I85-M88 PolarHBondContact O-N 3.35Å; I85-V89 HydrophobicContact CG2-CG2 4.32Å; I85-V89 WeakPolarHBondContact O-CG2 3.3Å; I85-V89 PolarHBondContact O-N 2.89Å
86R63Low57.8Low144 Ų14466.9 Ų66.954%0.54336%0.359SS..Hα-helixtrans-61.7-44.3175.2-76.8-173.4-74.5171.5-5.6112.4S82 P83 Q84 M88 G90S82-R86 PolarHBondContact O-N 3.44Å; P83-R86 PolarHBondContact O-N 3.35Å; Q84-R86 VanDerWaalsContact C-N 3.35Å; R86-M88 VanDerWaalsContact C-N 3.3Å; R86-M88 PolarHBondContact O-N 3.47Å; R86-G90 PolarHBondContact O-N 3.49Å
87I62.5Low59Low74 Ų7465.6 Ų65.638%0.37936%0.356SS..Hα-helixtrans-60.1-45.8174.5-70.3163.3000109.7M42 P83 Q84 I85 G90 V91M42-I87 HydrophobicContact SD-CG2 4.34Å; P83-I87 WeakPolarHBondContact O-CD1 3.32Å; P83-I87 VanDerWaalsContact O-CG1 3.24Å; P83-I87 WeakPolarHBondContact O-CG1 3.49Å; P83-I87 PolarHBondContact O-N 2.96Å; Q84-I87 PolarHBondContact O-N 3.17Å; I85-I87 PolarHBondContact O-N 3.46Å; I87-G90 PolarHBondContact O-N 3.32Å; I87-V91 HydrophobicContact CG2-CG2 4.27Å; I87-V91 VanDerWaalsContact O-CG2 3.3Å; I87-V91 WeakPolarHBondContact O-CG2 3.45Å; I87-V91 PolarHBondContact O-N 3.48Å
88M61Low59.9Low17 Ų1761.4 Ų61.48%0.08434%0.335CS..Hα-helixtrans-62.8-47.2-178.5-174179.3171.500112.6I15 V19 L69 Q84 I85 R86 G90 V91 I92I15-M88 HydrophobicContact CB-CE 4.36Å; I15-M88 HydrophobicContact CG2-CE 3.23Å; V19-M88 HydrophobicContact CG2-CE 3.82Å; V19-M88 HydrophobicContact CG2-SD 3.55Å; V19-M88 VanDerWaalsContact CG2-SD 3.55Å; L69-M88 HydrophobicContact CD1-CE 3.74Å; L69-M88 HydrophobicContact CD2-CE 4.29Å; Q84-M88 WeakPolarHBondContact O-CB 3.19Å; Q84-M88 PolarHBondContact O-N 2.86Å; I85-M88 WeakPolarHBondContact O-CB 3.49Å; I85-M88 PolarHBondContact O-N 3.35Å; R86-M88 VanDerWaalsContact C-N 3.3Å; R86-M88 PolarHBondContact O-N 3.47Å; M88-G90 VanDerWaalsContact C-N 3.32Å; M88-G90 PolarHBondContact O-N 2.96Å; M88-V91 PolarHBondContact O-N 3.2Å; M88-I92 HydrophobicContact CE-CD1 4.07Å; M88-I92 HydrophobicContact CG-CD1 4.04Å; M88-I92 WeakPolarHBondContact O-CB 3.43Å; M88-I92 VanDerWaalsContact O-CG1 3.28Å; M88-I92 WeakPolarHBondContact O-CG1 3.47Å; M88-I92 PolarHBondContact O-N 3.49Å
89V65.6Low60.8Low28 Ų2859.8 Ų59.817%0.1731%0.312CS..Hα-helixtrans-60.5-43.4174.4174.20000110.4L69 I85 V91 I92 N93L69-V89 HydrophobicContact CB-CG2 3.86Å; I85-V89 HydrophobicContact CG2-CG2 4.32Å; I85-V89 WeakPolarHBondContact O-CG2 3.3Å; I85-V89 PolarHBondContact O-N 2.89Å; V89-V91 PolarHBondContact O-N 2.88Å; V89-I92 PolarHBondContact O-N 3.08Å; V89-N93 VanDerWaalsContact O-CB 3.32Å; V89-N93 WeakPolarHBondContact O-CB 3.47Å; V89-N93 PolarHBondContact O-N 2.97Å
90G65.2Low61.9Low41 Ų4157.5 Ų57.542%0.42330%0.302SS..Hα-helixtrans-61.1-43.6177.400000113.3R86 I87 M88 A94R86-G90 PolarHBondContact O-N 3.49Å; I87-G90 PolarHBondContact O-N 3.32Å; M88-G90 VanDerWaalsContact C-N 3.32Å; M88-G90 PolarHBondContact O-N 2.96Å; G90-A94 WeakPolarHBondContact O-CB 3.42Å; G90-A94 PolarHBondContact O-N 3.07Å
91V62.5Low62.9Low47 Ų4759.4 Ų59.429%0.28531%0.314SS..Hα-helixtrans-64.9-45.2176.3175.90000110.5I45 M49 I87 M88 V89 N93 A94 T95I45-V91 HydrophobicContact CG2-CB 4.46Å; I45-V91 HydrophobicContact CG2-CG1 3.94Å; M49-V91 HydrophobicContact CE-CG1 3.82Å; M49-V91 HydrophobicContact CG-CG1 3.63Å; M49-V91 HydrophobicContact SD-CG1 4.1Å; I87-V91 HydrophobicContact CG2-CG2 4.27Å; I87-V91 VanDerWaalsContact O-CG2 3.3Å; I87-V91 WeakPolarHBondContact O-CG2 3.45Å; I87-V91 PolarHBondContact O-N 3.48Å; M88-V91 PolarHBondContact O-N 3.2Å; V89-V91 PolarHBondContact O-N 2.88Å; V91-N93 PolarHBondContact O-N 2.81Å; V91-A94 PolarHBondContact O-N 3.31Å; V91-T95 PolarHBondContact O-N 2.64Å; V91-T95 PolarHBondContact O-OG1 2.96Å; V91-T95 VanDerWaalsContact O-OG1 3.09Å
92I66Low63.3Low1 Ų160.2 Ų60.21%0.00531%0.313CS..Hα-helixtrans-59.8-49178.3-71.8168.4000110.9M49 L62 E66 L69 M88 V89 A94 T95 C96M49-I92 HydrophobicContact CE-CG1 3.6Å; L62-I92 HydrophobicContact CD1-CD1 4.31Å; L62-I92 HydrophobicContact CD1-CG1 4.08Å; L62-I92 HydrophobicContact CD2-CG1 4.37Å; L62-I92 HydrophobicContact CD2-CG2 4.4Å; L62-I92 HydrophobicContact CG-CG1 4.26Å; L62-I92 HydrophobicContact CG-CG2 4.02Å; E66-I92 HydrophobicContact CB-CG2 3.54Å; E66-I92 HydrophobicContact CG-CG2 3.73Å; L69-I92 HydrophobicContact CD1-CD1 3.18Å; M88-I92 HydrophobicContact CE-CD1 4.07Å; M88-I92 HydrophobicContact CG-CD1 4.04Å; M88-I92 WeakPolarHBondContact O-CB 3.43Å; M88-I92 VanDerWaalsContact O-CG1 3.28Å; M88-I92 WeakPolarHBondContact O-CG1 3.47Å; M88-I92 PolarHBondContact O-N 3.49Å; V89-I92 PolarHBondContact O-N 3.08Å; I92-A94 VanDerWaalsContact C-N 3.35Å; I92-A94 PolarHBondContact O-N 2.94Å; I92-T95 PolarHBondContact O-N 2.86Å; I92-C96 WeakPolarHBondContact O-CB 3.47Å; I92-C96 PolarHBondContact O-N 3.25Å; I92-C96 PolarHBondContact O-SG 2.95Å; I92-C96 VanDerWaalsContact O-SG 3.33Å
93N66.3Low63.4Low62 Ų6266.2 Ų66.233%0.33233%0.329SS..Hα-helixtrans-61.3-43.4179.6-167.5-13.1000111.2E66 V89 V91 T95 C96 N97E66-N93 WeakPolarHBondContact OE1-CB 3.39Å; E66-N93 PolarHBondContact OE1-ND2 3.41Å; V89-N93 VanDerWaalsContact O-CB 3.32Å; V89-N93 WeakPolarHBondContact O-CB 3.47Å; V89-N93 PolarHBondContact O-N 2.97Å; V91-N93 PolarHBondContact O-N 2.81Å; N93-T95 PolarHBondContact O-N 3.21Å; N93-C96 PolarHBondContact O-N 3.3Å; N93-N97 WeakPolarHBondContact O-CB 3.24Å; N93-N97 VanDerWaalsContact O-CG 3.3Å; N93-N97 PolarHBondContact O-N 3.35Å; N93-N97 PolarHBondContact O-ND2 3.29Å; N93-N97 VanDerWaalsContact O-ND2 3.07Å; N93-N97 PolarHBondContact OD1-ND2 3Å
94A65.4Low63.8Low60 Ų6068.2 Ų68.250%0.49634%0.34SS..Hα-helixtrans-60.4-44.4175.400000112.4G90 V91 I92 K98G90-A94 WeakPolarHBondContact O-CB 3.42Å; G90-A94 PolarHBondContact O-N 3.07Å; V91-A94 PolarHBondContact O-N 3.31Å; I92-A94 VanDerWaalsContact C-N 3.35Å; I92-A94 PolarHBondContact O-N 2.94Å; A94-K98 WeakPolarHBondContact O-CB 3.39Å; A94-K98 PolarHBondContact O-N 3.23Å
95T60.8Low64.3Low10 Ų1070.5 Ų70.56%0.06136%0.362CS..Hα-helixtrans-63.8-41.9175.9-61.80000111.5M49 E53 V59 L62 V91 I92 N93 K98 F99M49-T95 HydrophobicContact SD-CG2 4.19Å; E53-T95 HydrophobicContact CG-CG2 4.07Å; V59-T95 HydrophobicContact CG1-CG2 4.3Å; L62-T95 HydrophobicContact CD2-CG2 4.01Å; V91-T95 PolarHBondContact O-N 2.64Å; V91-T95 PolarHBondContact O-OG1 2.96Å; V91-T95 VanDerWaalsContact O-OG1 3.09Å; I92-T95 PolarHBondContact O-N 2.86Å; N93-T95 PolarHBondContact O-N 3.21Å; T95-K98 PolarHBondContact O-N 2.78Å; T95-F99 WeakPolarHBondContact O-CB 3.31Å; T95-F99 PolarHBondContact O-N 2.83Å
96C64.1Low63.8Low2 Ų277.2 Ų77.21%0.01440%0.398CS..Hα-helixtrans-64.1-45.7177.6-770000112.9C63 I92 N93 K98 F99 Q100C63-C96 WeakPolarHBondContact CA-SG 3.47Å; C63-C96 HydrophobicContact CB-CB 3.97Å; C63-C96 WeakPolarHBondContact CB-SG 3.34Å; C63-C96 PolarHBondContact N-SG 3.44Å; C63-C96 WeakPolarHBondContact SG-CA 3.35Å; C63-C96 WeakPolarHBondContact SG-CB 3.37Å; C63-C96 CovalentContact SG-SG 2.03Å; C63-C96 PolarHBondContact SG-SG 3.49Å; I92-C96 WeakPolarHBondContact O-CB 3.47Å; I92-C96 PolarHBondContact O-N 3.25Å; I92-C96 PolarHBondContact O-SG 2.95Å; I92-C96 VanDerWaalsContact O-SG 3.33Å; N93-C96 PolarHBondContact O-N 3.3Å; C96-K98 PolarHBondContact O-N 3.15Å; C96-F99 PolarHBondContact O-N 3.49Å; C96-Q100 WeakPolarHBondContact O-CG 3.37Å; C96-Q100 PolarHBondContact O-N 3.15Å
97N69.7Low63.8Low73 Ų7373.9 Ų73.939%0.3939%0.391SS..Hα-helixtrans-60.8-45.5175.4-72.8-38.2000111.5N93 F99 Q100 Q101N93-N97 WeakPolarHBondContact O-CB 3.24Å; N93-N97 VanDerWaalsContact O-CG 3.3Å; N93-N97 PolarHBondContact O-N 3.35Å; N93-N97 PolarHBondContact O-ND2 3.29Å; N93-N97 VanDerWaalsContact O-ND2 3.07Å; N93-N97 PolarHBondContact OD1-ND2 3Å; N97-F99 VanDerWaalsContact C-N 3.31Å; N97-F99 PolarHBondContact O-N 3.48Å; N97-Q100 PolarHBondContact O-N 3.29Å; N97-Q101 VanDerWaalsContact O-CG 3.32Å; N97-Q101 WeakPolarHBondContact O-CG 3.46Å; N97-Q101 PolarHBondContact O-N 2.95Å
98K64.6Low63.9Low110 Ų11073.8 Ų73.848%0.47839%0.391SS..Hα-helixtrans-62-39.5177.8-174.3179.2167.5-158.80111.8E53 A94 T95 C96 Q101 Y102E53-K98 VanDerWaalsContact CD-NZ 3.26Å; E53-K98 IonicContact OE1-NZ 2.84Å; E53-K98 PolarHBondContact OE1-NZ 3.03Å; E53-K98 IonicContact OE2-NZ 2.96Å; E53-K98 PolarHBondContact OE2-NZ 3.43Å; A94-K98 WeakPolarHBondContact O-CB 3.39Å; A94-K98 PolarHBondContact O-N 3.23Å; T95-K98 PolarHBondContact O-N 2.78Å; C96-K98 PolarHBondContact O-N 3.15Å; K98-Q101 PolarHBondContact O-N 3.13Å; K98-Y102 PolarHBondContact O-N 2.92Å
99F64.9Low64.1Low20 Ų2077 Ų779%0.08841%0.408CS..Hα-helixtrans-69.5-41176.4178.1-104.2000113.4D56 V59 T95 C96 N97 Q101 Y102 R103D56-F99 HydrophobicContact CB-CE2 4.07Å; D56-F99 HydrophobicContact CB-CZ 3.9Å; D56-F99 WeakPolarHBondContact O-CZ 3.15Å; D56-F99 WeakPolarHBondContact OD1-CE2 3.38Å; V59-F99 HydrophobicContact CB-CB 4.1Å; V59-F99 HydrophobicContact CB-CD1 3.8Å; V59-F99 HydrophobicContact CB-CD2 3.63Å; V59-F99 HydrophobicContact CB-CE1 4.07Å; V59-F99 HydrophobicContact CB-CE2 3.93Å; V59-F99 HydrophobicContact CB-CG 3.55Å; V59-F99 HydrophobicContact CB-CZ 4.14Å; V59-F99 HydrophobicContact CG1-CB 3.3Å; V59-F99 HydrophobicContact CG1-CD1 3.53Å; V59-F99 HydrophobicContact CG1-CD2 3.83Å; V59-F99 HydrophobicContact CG1-CE1 4.28Å; V59-F99 HydrophobicContact CG1-CG 3.26Å; V59-F99 HydrophobicContact CG2-CB 4.38Å; V59-F99 HydrophobicContact CG2-CD2 3.63Å; V59-F99 HydrophobicContact CG2-CE2 4.03Å; V59-F99 HydrophobicContact CG2-CG 3.99Å; T95-F99 WeakPolarHBondContact O-CB 3.31Å; T95-F99 PolarHBondContact O-N 2.83Å; C96-F99 PolarHBondContact O-N 3.49Å; N97-F99 VanDerWaalsContact C-N 3.31Å; N97-F99 PolarHBondContact O-N 3.48Å; F99-Q101 VanDerWaalsContact C-N 3.32Å; F99-Q101 PolarHBondContact O-N 3.44Å; F99-Y102 PolarHBondContact O-N 2.96Å; F99-R103 HydrophobicContact CE1-CG 4.2Å; F99-R103 HydrophobicContact CE2-CG 4.48Å; F99-R103 HydrophobicContact CZ-CG 4.07Å; F99-R103 PolarHBondContact O-N 3.35Å
100Q66Low64Low115 Ų11579.9 Ų79.954%0.53742%0.423SS..Hα-helixtrans-60.8-44173.2-75-178.2-14.500110.9C96 N97 Y102 R103 T104C96-Q100 WeakPolarHBondContact O-CG 3.37Å; C96-Q100 PolarHBondContact O-N 3.15Å; N97-Q100 PolarHBondContact O-N 3.29Å; Q100-Y102 VanDerWaalsContact C-N 3.34Å; Q100-Y102 PolarHBondContact O-N 2.87Å; Q100-R103 PolarHBondContact O-N 3.03Å; Q100-T104 WeakPolarHBondContact O-CG2 3.44Å; Q100-T104 PolarHBondContact O-N 3.04Å; Q100-T104 PolarHBondContact O-OG1 3.35Å
101Q69.7Low63.9Low132 Ų13282.3 Ų82.362%0.61742%0.423SS*.Hα-helixtrans-58.1-45173.9-74176.13.600112N97 K98 F99 R103 T104 S105N97-Q101 VanDerWaalsContact O-CG 3.32Å; N97-Q101 WeakPolarHBondContact O-CG 3.46Å; N97-Q101 PolarHBondContact O-N 2.95Å; K98-Q101 PolarHBondContact O-N 3.13Å; F99-Q101 VanDerWaalsContact C-N 3.32Å; F99-Q101 PolarHBondContact O-N 3.44Å; Q101-R103 PolarHBondContact O-N 2.79Å; Q101-T104 WeakPolarHBondContact CA-OG1 3.36Å; Q101-T104 PolarHBondContact O-N 3.5Å; Q101-T104 PolarHBondContact O-OG1 3.12Å; Q101-S105 PolarHBondContact O-N 2.74Å
102Y59.9Low64Low139 Ų13984.7 Ų84.755%0.54543%0.432SS..Hα-helixtrans-60.1-43.9176-175.1-99.3000112.2K98 F99 Q100 T104 S105 N106K98-Y102 PolarHBondContact O-N 2.92Å; F99-Y102 PolarHBondContact O-N 2.96Å; Q100-Y102 VanDerWaalsContact C-N 3.34Å; Q100-Y102 PolarHBondContact O-N 2.87Å; Y102-T104 VanDerWaalsContact C-N 3.33Å; Y102-T104 PolarHBondContact O-N 2.9Å; Y102-S105 PolarHBondContact O-N 3.02Å; Y102-N106 PolarHBondContact O-N 3.38Å
103R59.3Low63.9Low166 Ų16690.6 Ų90.663%0.62646%0.462SS*.Hα-helixtrans-66.9-28.2175.5-81.9-165.984.1166.37.7114.3F99 Q100 Q101 N106F99-R103 HydrophobicContact CE1-CG 4.2Å; F99-R103 HydrophobicContact CE2-CG 4.48Å; F99-R103 HydrophobicContact CZ-CG 4.07Å; F99-R103 PolarHBondContact O-N 3.35Å; Q100-R103 PolarHBondContact O-N 3.03Å; Q101-R103 PolarHBondContact O-N 2.79Å; R103-N106 VanDerWaalsContact O-OXT 3.12Å
104T68.6Low63.7Low118 Ų11892.8 Ų92.872%0.72447%0.472SS*.Hα-helixtrans-83-20.3177.552.10000113.4Q100 Q101 Y102Q100-T104 WeakPolarHBondContact O-CG2 3.44Å; Q100-T104 PolarHBondContact O-N 3.04Å; Q100-T104 PolarHBondContact O-OG1 3.35Å; Q101-T104 WeakPolarHBondContact CA-OG1 3.36Å; Q101-T104 PolarHBondContact O-N 3.5Å; Q101-T104 PolarHBondContact O-OG1 3.12Å; Y102-T104 VanDerWaalsContact C-N 3.33Å; Y102-T104 PolarHBondContact O-N 2.9Å
105S65Low63.5Low98 Ų9895.6 Ų95.669%0.68547%0.47SS*.Hα-helixtrans-86.7-14.3179.7-172.90000113.7Q101 Y102Q101-S105 PolarHBondContact O-N 2.74Å; Y102-S105 PolarHBondContact O-N 3.02Å
106N49.8Very low63.8Low164 Ų164103.4 Ų103.488%0.87751%0.507SS*.  trans-112.70176.6-83.5-4.5000110.5Y102 R103Y102-N106 PolarHBondContact O-N 3.38Å; R103-N106 VanDerWaalsContact O-OXT 3.12Å

Retrieved 106 of 106 residues in 57.9 ms (Link to these results)

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