A0A5K4FCK5_SCHMA Loading...

HTH_38 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCK5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 165 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
1M47.9Very low70.1Confident215 Ų215118.2 Ų118.2100%1.05961%0.609SS**  0128.70-78.7173.2163.800108.9H3M1-H3 PolarHBondContact O-N 3.07Å
2K51.5Low71.9Confident203 Ų203110.8 Ų110.888%0.88357%0.57SS**  trans-69.3121.8177.2-77.6-179.9176.1175.40109.1V4K2-V4 PolarHBondContact O-N 3.38Å
3H56Low73.3Confident127 Ų127104.2 Ų104.259%0.58853%0.533SS*.  trans-64.4103.3167.6-74-64.6000108.5M1 G5 G34M1-H3 PolarHBondContact O-N 3.07Å; H3-G5 PolarHBondContact O-N 3.25Å; H3-G34 PolarHBondContact ND1-O 2.82Å
4V55.3Low74.7Confident88 Ų8898.8 Ų98.853%0.53352%0.516SS..  trans-70.8115174.6-171.60000106.5K2 R6 R35K2-V4 PolarHBondContact O-N 3.38Å; V4-R6 HydrophobicContact CG1-CB 4.21Å; V4-R6 HydrophobicContact CG1-CG 4.2Å; V4-R6 PolarHBondContact O-N 3.15Å; V4-R35 PolarHBondContact O-NH1 2.96Å
5G63.7Low76Confident80 Ų8097.2 Ų97.283%0.82551%0.508SS*.  trans-62.215.3-179.700000115.6H3H3-G5 PolarHBondContact O-N 3.25Å
6R76.9Confident77.2Confident151 Ų15191.1 Ų91.157%0.5748%0.476SS*.PPolyproline II helixtrans-67.7146.4172.879.5-174.4-162.4-164.43.8109.5V4 E12 R35V4-R6 HydrophobicContact CG1-CB 4.21Å; V4-R6 HydrophobicContact CG1-CG 4.2Å; V4-R6 PolarHBondContact O-N 3.15Å; R6-E12 IonicContact CZ-OE1 3.39Å; R6-E12 IonicContact NE-OE1 2.67Å; R6-E12 IonicContact NH2-OE1 3.97Å; R6-E12 PolarHBondContact NH2-OE1 3.3Å; R6-R35 PolarHBondContact O-NH1 3.43Å; R6-R35 PolarHBondContact O-NH2 2.95Å
7Y78.4Confident78.3Confident136 Ų13686.4 Ų86.453%0.53345%0.451SS..PPolyproline II helixtrans-71154.3169.1-69.8-83.7000110.2R35 W48Y7-R35 PolarHBondContact O-NH2 3.22Å; Y7-W48 HydrophobicContact CD1-CZ2 4.38Å
8L83.1Confident79.2Confident8 Ų887.9 Ų87.94%0.04245%0.454CS..PPolyproline II helixtrans-70.7137168.1-73.3169.5000108.9E12 R13 V16 F33 R35 T39 I43L8-E12 WeakPolarHBondContact CA-OE2 3.4Å; L8-E12 HydrophobicContact CB-CB 4.19Å; L8-E12 HydrophobicContact CD2-CB 3.77Å; L8-E12 HydrophobicContact CD2-CG 4.29Å; L8-E12 WeakPolarHBondContact CD2-OE2 3.45Å; L8-R13 HydrophobicContact CB-CG 3.99Å; L8-V16 HydrophobicContact CD1-CG2 4.35Å; L8-F33 HydrophobicContact CD2-CB 4.32Å; L8-F33 HydrophobicContact CD2-CD1 4.32Å; L8-R35 HydrophobicContact CD1-CG 3.97Å; L8-R35 HydrophobicContact CD2-CG 4Å; L8-R35 VanDerWaalsContact CD2-NE 3.31Å; L8-R35 HydrophobicContact CG-CG 4.15Å; L8-T39 HydrophobicContact CD1-CG2 4.31Å; L8-I43 HydrophobicContact CD1-CD1 3.34Å
9T85.3Confident80Confident78 Ų7885.2 Ų85.248%0.47944%0.44SS..PPolyproline II helixtrans-68.5166.2171.869.80000110.5S11 E12 R13T9-S11 VanDerWaalsContact C-N 3.32Å; T9-S11 PolarHBondContact O-N 3.33Å; T9-E12 PolarHBondContact N-OE2 3.45Å; T9-E12 PolarHBondContact O-N 3.39Å; T9-E12 WeakPolarHBondContact OG1-CG 3.39Å; T9-E12 PolarHBondContact OG1-N 3.01Å; T9-E12 VanDerWaalsContact OG1-N 3.11Å; T9-R13 WeakPolarHBondContact O-CG 3.42Å; T9-R13 PolarHBondContact O-N 3.47Å
10E84.5Confident80.8Confident135 Ų13583.3 Ų83.363%0.63143%0.427SS*.Hα-helixtrans-59.1-42.8173.8-174.1167.2-162.600112.6R13 G14E10-R13 WeakPolarHBondContact O-CB 3.28Å; E10-R13 PolarHBondContact O-N 3.46Å; E10-G14 PolarHBondContact O-N 3.04Å
11S88.7Confident81.5Confident79 Ų7981.7 Ų81.755%0.55242%0.418SS*.Hα-helixtrans-61.8-45.1174.5175.30000112.2T9 R13 G14 N15T9-S11 VanDerWaalsContact C-N 3.32Å; T9-S11 PolarHBondContact O-N 3.33Å; S11-R13 VanDerWaalsContact C-N 3.29Å; S11-R13 PolarHBondContact O-N 3.46Å; S11-G14 PolarHBondContact O-N 3.22Å; S11-G14 VanDerWaalsContact O-N 3.14Å; S11-N15 PolarHBondContact O-N 3.04Å
12E91.3Very high83.6Confident30 Ų3076.8 Ų76.814%0.1439%0.392CS..Hα-helixtrans-62.3-37.6177.1-71.1173.1141.500111.5R6 L8 T9 N15 V16 F33R6-E12 IonicContact CZ-OE1 3.39Å; R6-E12 IonicContact NE-OE1 2.67Å; R6-E12 IonicContact NH2-OE1 3.97Å; R6-E12 PolarHBondContact NH2-OE1 3.3Å; L8-E12 WeakPolarHBondContact CA-OE2 3.4Å; L8-E12 HydrophobicContact CB-CB 4.19Å; L8-E12 HydrophobicContact CD2-CB 3.77Å; L8-E12 HydrophobicContact CD2-CG 4.29Å; L8-E12 WeakPolarHBondContact CD2-OE2 3.45Å; T9-E12 PolarHBondContact N-OE2 3.45Å; T9-E12 PolarHBondContact O-N 3.39Å; T9-E12 WeakPolarHBondContact OG1-CG 3.39Å; T9-E12 PolarHBondContact OG1-N 3.01Å; T9-E12 VanDerWaalsContact OG1-N 3.11Å; E12-N15 PolarHBondContact O-N 3.45Å; E12-V16 WeakPolarHBondContact O-CG2 3.49Å; E12-V16 PolarHBondContact O-N 3.27Å; E12-F33 HydrophobicContact CB-CD1 4.48Å; E12-F33 HydrophobicContact CB-CE1 4.3Å
13R90.7Very high85.6Confident25 Ų2568.9 Ų68.99%0.09437%0.369CS..Hα-helixtrans-64.6-40.8173.9-70.3-177-66.9143.70.1112.1L8 T9 E10 S11 N15 V16 L17 I43 W48 D64L8-R13 HydrophobicContact CB-CG 3.99Å; T9-R13 WeakPolarHBondContact O-CG 3.42Å; T9-R13 PolarHBondContact O-N 3.47Å; E10-R13 WeakPolarHBondContact O-CB 3.28Å; E10-R13 PolarHBondContact O-N 3.46Å; S11-R13 VanDerWaalsContact C-N 3.29Å; S11-R13 PolarHBondContact O-N 3.46Å; R13-N15 VanDerWaalsContact C-N 3.31Å; R13-N15 PolarHBondContact O-N 2.87Å; R13-V16 WeakPolarHBondContact O-CB 3.39Å; R13-V16 PolarHBondContact O-N 3.31Å; R13-L17 PolarHBondContact O-N 3.42Å; R13-L17 VanDerWaalsContact O-N 3.11Å; R13-I43 HydrophobicContact CB-CG2 4.45Å; R13-I43 HydrophobicContact CG-CD1 4.04Å; R13-I43 HydrophobicContact CG-CG1 4.39Å; R13-W48 VanDerWaalsContact CD-CE3 3.47Å; R13-W48 VanDerWaalsContact NE-CZ3 3.29Å; R13-W48 VanDerWaalsContact NH1-CE3 3.32Å; R13-D64 IonicContact CZ-OD2 3.54Å; R13-D64 IonicContact NH1-OD1 2.8Å; R13-D64 IonicContact NH1-OD2 3.75Å; R13-D64 PolarHBondContact NH1-OD2 2.94Å
14G92.4Very high87.3Confident28 Ų2866.8 Ų66.829%0.28936%0.359SS..Hα-helixtrans-58.4-43.4172.800000111.9E10 S11 L17 K18E10-G14 PolarHBondContact O-N 3.04Å; S11-G14 PolarHBondContact O-N 3.22Å; S11-G14 VanDerWaalsContact O-N 3.14Å; G14-L17 PolarHBondContact O-N 2.93Å; G14-K18 PolarHBondContact O-N 3.48Å
15N94.5Very high89.2Confident75 Ų7566.7 Ų66.740%0.40136%0.356SS..Hα-helixtrans-67.5-36.9177.9-65.2-16.3000112.6S11 E12 R13 L17 K18 L19 F33S11-N15 PolarHBondContact O-N 3.04Å; E12-N15 PolarHBondContact O-N 3.45Å; R13-N15 VanDerWaalsContact C-N 3.31Å; R13-N15 PolarHBondContact O-N 2.87Å; N15-L17 VanDerWaalsContact C-N 3.29Å; N15-L17 PolarHBondContact O-N 3.4Å; N15-K18 PolarHBondContact O-N 2.91Å; N15-L19 WeakPolarHBondContact O-CG 3.4Å; N15-L19 PolarHBondContact O-N 3.07Å; N15-F33 HydrophobicContact CB-CE1 4.14Å; N15-F33 HydrophobicContact CB-CZ 3.6Å
16V94.9Very high90.7Very high0 Ų063.6 Ų63.60%032%0.321CS..Hα-helixtrans-56.3-45.8170.7165.40000110.9L8 E12 R13 Y20 I29 F33 V40 I43L8-V16 HydrophobicContact CD1-CG2 4.35Å; E12-V16 WeakPolarHBondContact O-CG2 3.49Å; E12-V16 PolarHBondContact O-N 3.27Å; R13-V16 WeakPolarHBondContact O-CB 3.39Å; R13-V16 PolarHBondContact O-N 3.31Å; V16-Y20 WeakPolarHBondContact O-CB 3.37Å; V16-Y20 PolarHBondContact O-N 3.31Å; V16-Y20 VanDerWaalsContact O-N 3.12Å; V16-I29 HydrophobicContact CB-CG2 4.36Å; V16-I29 HydrophobicContact CG1-CG2 4.04Å; V16-I29 HydrophobicContact CG2-CG2 4.11Å; V16-F33 HydrophobicContact CB-CE2 4.21Å; V16-F33 HydrophobicContact CG2-CD2 3.46Å; V16-F33 VanDerWaalsContact CG2-CD2 3.46Å; V16-F33 HydrophobicContact CG2-CE1 4.49Å; V16-F33 HydrophobicContact CG2-CE2 3.36Å; V16-F33 HydrophobicContact CG2-CG 4.11Å; V16-F33 HydrophobicContact CG2-CZ 3.94Å; V16-V40 HydrophobicContact CG1-CG1 4.02Å; V16-I43 HydrophobicContact CB-CG2 4.23Å; V16-I43 HydrophobicContact CG1-CB 4.14Å; V16-I43 HydrophobicContact CG1-CD1 4.38Å; V16-I43 HydrophobicContact CG1-CG2 3.73Å; V16-I43 HydrophobicContact CG2-CD1 4.4Å
17L95.4Very high91.6Very high10 Ų1060.3 Ų60.35%0.05231%0.312CS..Hα-helixtrans-68-38.3179.2-68.1178.6000112.1R13 G14 N15 Y20 E21 I43 L67 V68 V71R13-L17 PolarHBondContact O-N 3.42Å; R13-L17 VanDerWaalsContact O-N 3.11Å; G14-L17 PolarHBondContact O-N 2.93Å; N15-L17 VanDerWaalsContact C-N 3.29Å; N15-L17 PolarHBondContact O-N 3.4Å; L17-Y20 WeakPolarHBondContact O-CB 3.23Å; L17-Y20 PolarHBondContact O-N 3.36Å; L17-E21 PolarHBondContact O-N 3.01Å; L17-I43 HydrophobicContact CD2-CG2 4.01Å; L17-I43 HydrophobicContact CG-CG2 4.11Å; L17-L67 HydrophobicContact CD1-CD2 3.87Å; L17-L67 HydrophobicContact CD1-CG 3.93Å; L17-V68 HydrophobicContact CD1-CG2 3.97Å; L17-V68 HydrophobicContact CD2-CG2 3.99Å; L17-V71 HydrophobicContact CB-CG1 4.29Å; L17-V71 HydrophobicContact CB-CG2 4.02Å; L17-V71 WeakPolarHBondContact O-CG1 3.49Å
18K95.1Very high92.4Very high115 Ų11558.7 Ų58.750%0.531%0.309SS..Hα-helixtrans-62.4-49.7177-166.7-169.3-178.7-147.60112.3G14 N15 Y20 E21 E22G14-K18 PolarHBondContact O-N 3.48Å; N15-K18 PolarHBondContact O-N 2.91Å; K18-Y20 VanDerWaalsContact C-N 3.26Å; K18-Y20 PolarHBondContact O-N 2.79Å; K18-E21 WeakPolarHBondContact O-CA 3.01Å; K18-E21 VanDerWaalsContact O-CB 3.24Å; K18-E21 WeakPolarHBondContact O-CB 3.46Å; K18-E21 PolarHBondContact O-N 3.49Å; K18-E22 WeakPolarHBondContact CE-OE1 3.41Å; K18-E22 IonicContact NZ-OE1 3.49Å; K18-E22 PolarHBondContact NZ-OE1 2.88Å; K18-E22 WeakPolarHBondContact O-CG 3.48Å; K18-E22 PolarHBondContact O-N 3.43Å
19L95.3Very high93Very high36 Ų3658.4 Ų58.419%0.18831%0.308CS..Hα-helixtrans-60.6-40.1176.2-68.4176.6000111.1N15 E21 E22 G23 E24 I29 Y32 F33N15-L19 WeakPolarHBondContact O-CG 3.4Å; N15-L19 PolarHBondContact O-N 3.07Å; L19-E21 VanDerWaalsContact C-N 3.31Å; L19-E21 PolarHBondContact O-N 2.93Å; L19-E22 PolarHBondContact O-N 2.87Å; L19-G23 PolarHBondContact O-N 2.8Å; L19-E24 HydrophobicContact CB-CB 4.15Å; L19-E24 HydrophobicContact CB-CG 4.06Å; L19-E24 HydrophobicContact CD2-CG 4.2Å; L19-E24 VanDerWaalsContact O-CB 3.31Å; L19-E24 WeakPolarHBondContact O-CB 3.44Å; L19-E24 PolarHBondContact O-N 2.79Å; L19-E24 VanDerWaalsContact O-N 3.13Å; L19-I29 HydrophobicContact CB-CD1 4.08Å; L19-I29 HydrophobicContact CB-CG1 3.89Å; L19-I29 HydrophobicContact CD1-CG1 4.32Å; L19-Y32 HydrophobicContact CD1-CD1 4.12Å; L19-Y32 HydrophobicContact CD1-CE1 4.49Å; L19-F33 HydrophobicContact CD1-CE2 3.82Å; L19-F33 HydrophobicContact CD1-CZ 4.31Å
20Y95.9Very high93.3Very high47 Ų4755 Ų5518%0.18429%0.287CS..Hα-helixtrans-62.5-37.5173.6-177.8-98.8000112.2V16 L17 K18 G23 I44 V71 K72 R75V16-Y20 WeakPolarHBondContact O-CB 3.37Å; V16-Y20 PolarHBondContact O-N 3.31Å; V16-Y20 VanDerWaalsContact O-N 3.12Å; L17-Y20 WeakPolarHBondContact O-CB 3.23Å; L17-Y20 PolarHBondContact O-N 3.36Å; K18-Y20 VanDerWaalsContact C-N 3.26Å; K18-Y20 PolarHBondContact O-N 2.79Å; Y20-G23 PolarHBondContact O-N 2.6Å; Y20-I44 HydrophobicContact CD1-CG1 4.34Å; Y20-I44 HydrophobicContact CD1-CG2 3.92Å; Y20-I44 HydrophobicContact CD2-CD1 3.39Å; Y20-I44 HydrophobicContact CD2-CG1 3.96Å; Y20-I44 HydrophobicContact CD2-CG2 4.1Å; Y20-I44 HydrophobicContact CE1-CG2 3.62Å; Y20-I44 HydrophobicContact CE2-CD1 3.9Å; Y20-I44 HydrophobicContact CE2-CG1 4.47Å; Y20-I44 HydrophobicContact CE2-CG2 3.82Å; Y20-I44 HydrophobicContact CG-CD1 3.83Å; Y20-I44 HydrophobicContact CG-CG1 3.89Å; Y20-I44 HydrophobicContact CG-CG2 4.15Å; Y20-V71 HydrophobicContact CD1-CG1 3.92Å; Y20-K72 HydrophobicContact CE1-CG 4.3Å; Y20-R75 VanDerWaalsContact O-CD 3.23Å; Y20-R75 WeakPolarHBondContact O-CD 3.45Å; Y20-R75 PolarHBondContact O-NH1 2.71Å
21E94.4Very high93.7Very high50 Ų5054.6 Ų54.623%0.23428%0.284CS..Hα-helixtrans-63.8-40.6175-162.9176.6165.500112.7L17 K18 L19 G23 V71 N74L17-E21 PolarHBondContact O-N 3.01Å; K18-E21 WeakPolarHBondContact O-CA 3.01Å; K18-E21 VanDerWaalsContact O-CB 3.24Å; K18-E21 WeakPolarHBondContact O-CB 3.46Å; K18-E21 PolarHBondContact O-N 3.49Å; L19-E21 VanDerWaalsContact C-N 3.31Å; L19-E21 PolarHBondContact O-N 2.93Å; E21-G23 PolarHBondContact O-N 2.73Å; E21-V71 HydrophobicContact CB-CG1 4Å; E21-V71 HydrophobicContact CG-CG1 4.44Å; E21-N74 HydrophobicContact CG-CB 3.8Å; E21-N74 WeakPolarHBondContact OE1-CB 3.27Å; E21-N74 VanDerWaalsContact OE1-CG 3.29Å; E21-N74 PolarHBondContact OE1-ND2 3.28Å
22E92.5Very high93.9Very high111 Ų11159.2 Ų59.252%0.51929%0.29SS..Hα-helixtrans-69.3-17.6179.9-70.3167.9-178.200112.7K18 L19K18-E22 WeakPolarHBondContact CE-OE1 3.41Å; K18-E22 IonicContact NZ-OE1 3.49Å; K18-E22 PolarHBondContact NZ-OE1 2.88Å; K18-E22 WeakPolarHBondContact O-CG 3.48Å; K18-E22 PolarHBondContact O-N 3.43Å; L19-E22 PolarHBondContact O-N 2.87Å
23G92.9Very high93.9Very high38 Ų3859.1 Ų59.139%0.39229%0.289SS..THydrogen-bonded Turntrans115.6-5.9172.300000114.6L19 Y20 E21 R75L19-G23 PolarHBondContact O-N 2.8Å; Y20-G23 PolarHBondContact O-N 2.6Å; E21-G23 PolarHBondContact O-N 2.73Å; G23-R75 PolarHBondContact O-NH2 3.11Å; G23-R75 VanDerWaalsContact O-NH2 3.12Å
24E93.3Very high93.9Very high82 Ų8259.2 Ų59.238%0.38330%0.298SS..  trans-52.9148.4-179.1-64.9-70.1146.300112.5L19 I29 R75L19-E24 HydrophobicContact CB-CB 4.15Å; L19-E24 HydrophobicContact CB-CG 4.06Å; L19-E24 HydrophobicContact CD2-CG 4.2Å; L19-E24 VanDerWaalsContact O-CB 3.31Å; L19-E24 WeakPolarHBondContact O-CB 3.44Å; L19-E24 PolarHBondContact O-N 2.79Å; L19-E24 VanDerWaalsContact O-N 3.13Å; E24-I29 HydrophobicContact CB-CD1 4.01Å; E24-I29 HydrophobicContact CB-CG1 3.87Å; E24-R75 PolarHBondContact O-NH1 3.35Å
25N94.4Very high93.7Very high86 Ų8659.3 Ų59.346%0.4629%0.29SS..  trans-78.3147.6178.6-168.3-2.3000110.9E27 E28 I29N25-E27 PolarHBondContact O-N 3.33Å; N25-E28 HydrophobicContact CB-CG 4.45Å; N25-E28 WeakPolarHBondContact CB-OE2 3.49Å; N25-E28 PolarHBondContact N-OE2 2.91Å; N25-E28 PolarHBondContact O-N 2.71Å; N25-E28 VanDerWaalsContact O-N 3.12Å; N25-I29 VanDerWaalsContact O-CG1 3.27Å; N25-I29 WeakPolarHBondContact O-CG1 3.38Å; N25-I29 PolarHBondContact O-N 3.46Å
26V95.7Very high93.6Very high15 Ų1558.1 Ų58.19%0.09129%0.287CS..Hα-helixtrans-55.2-37177.41760000111.6A30 E37 V40 R41 I44V26-A30 WeakPolarHBondContact O-CB 3.24Å; V26-A30 PolarHBondContact O-N 3.28Å; V26-E37 HydrophobicContact CG1-CB 4.16Å; V26-E37 HydrophobicContact CG1-CG 4.32Å; V26-V40 HydrophobicContact CG1-CB 4.11Å; V26-V40 HydrophobicContact CG1-CG1 3.89Å; V26-R41 HydrophobicContact CG1-CG 3.83Å; V26-I44 HydrophobicContact CG2-CD1 4.02Å
27E95.3Very high93.5Very high83 Ų8361.9 Ų61.939%0.38831%0.305SS..Hα-helixtrans-65.6-44.2178.2-171.6-174.4164.800112.1N25 A30 K31N25-E27 PolarHBondContact O-N 3.33Å; E27-A30 WeakPolarHBondContact O-CB 3.44Å; E27-A30 PolarHBondContact O-N 3.1Å; E27-K31 WeakPolarHBondContact O-CG 3.43Å; E27-K31 PolarHBondContact O-N 3.15Å; E27-K31 VanDerWaalsContact OE1-CE 3.24Å; E27-K31 WeakPolarHBondContact OE1-CE 3.43Å; E27-K31 IonicContact OE1-NZ 2.89Å; E27-K31 PolarHBondContact OE1-NZ 3.35Å
28E94.6Very high93.4Very high102 Ų10264.4 Ų64.448%0.47733%0.327SS..Hα-helixtrans-67.1-44.3179.1-70.8165.7154.500110.9N25 A30 K31 Y32N25-E28 HydrophobicContact CB-CG 4.45Å; N25-E28 WeakPolarHBondContact CB-OE2 3.49Å; N25-E28 PolarHBondContact N-OE2 2.91Å; N25-E28 PolarHBondContact O-N 2.71Å; N25-E28 VanDerWaalsContact O-N 3.12Å; E28-A30 VanDerWaalsContact C-N 3.29Å; E28-A30 PolarHBondContact O-N 3.29Å; E28-K31 PolarHBondContact O-N 3.36Å; E28-Y32 WeakPolarHBondContact O-CB 3.44Å; E28-Y32 PolarHBondContact O-N 3.44Å
29I95.2Very high93.1Very high1 Ų160.8 Ų60.81%0.00532%0.315CS..Hα-helixtrans-58.1-44.5173.3-62.8167.7000110.2V16 L19 E24 N25 K31 Y32 F33 V40V16-I29 HydrophobicContact CB-CG2 4.36Å; V16-I29 HydrophobicContact CG1-CG2 4.04Å; V16-I29 HydrophobicContact CG2-CG2 4.11Å; L19-I29 HydrophobicContact CB-CD1 4.08Å; L19-I29 HydrophobicContact CB-CG1 3.89Å; L19-I29 HydrophobicContact CD1-CG1 4.32Å; E24-I29 HydrophobicContact CB-CD1 4.01Å; E24-I29 HydrophobicContact CB-CG1 3.87Å; N25-I29 VanDerWaalsContact O-CG1 3.27Å; N25-I29 WeakPolarHBondContact O-CG1 3.38Å; N25-I29 PolarHBondContact O-N 3.46Å; I29-K31 PolarHBondContact O-N 3.27Å; I29-Y32 PolarHBondContact O-N 3.25Å; I29-F33 HydrophobicContact CG2-CD2 3.83Å; I29-F33 HydrophobicContact CG2-CE2 3.96Å; I29-F33 VanDerWaalsContact O-CD2 3.28Å; I29-F33 WeakPolarHBondContact O-CD2 3.35Å; I29-F33 PolarHBondContact O-N 3.44Å; I29-F33 VanDerWaalsContact O-N 3.08Å; I29-V40 HydrophobicContact CB-CG1 4.11Å; I29-V40 HydrophobicContact CG2-CG1 3.66Å; I29-V40 HydrophobicContact CG2-CG2 4.16Å
30A93.3Very high93.1Very high6 Ų659 Ų595%0.0531%0.306CS..Hα-helixtrans-62-44.4178.800000112V26 E27 E28 G34 R35 E37 V40V26-A30 WeakPolarHBondContact O-CB 3.24Å; V26-A30 PolarHBondContact O-N 3.28Å; E27-A30 WeakPolarHBondContact O-CB 3.44Å; E27-A30 PolarHBondContact O-N 3.1Å; E28-A30 VanDerWaalsContact C-N 3.29Å; E28-A30 PolarHBondContact O-N 3.29Å; A30-G34 PolarHBondContact O-N 3.35Å; A30-R35 WeakPolarHBondContact CB-O 3.45Å; A30-R35 PolarHBondContact O-N 3.45Å; A30-E37 HydrophobicContact CB-CG 3.97Å; A30-V40 HydrophobicContact CB-CG2 3.89Å
31K92.7Very high93Very high128 Ų12863.6 Ų63.656%0.55732%0.322SS*.Hα-helixtrans-60.8-46.9174.6-72.9172.1-174.5167.40111.3E27 E28 I29 F33 G34E27-K31 WeakPolarHBondContact O-CG 3.43Å; E27-K31 PolarHBondContact O-N 3.15Å; E27-K31 VanDerWaalsContact OE1-CE 3.24Å; E27-K31 WeakPolarHBondContact OE1-CE 3.43Å; E27-K31 IonicContact OE1-NZ 2.89Å; E27-K31 PolarHBondContact OE1-NZ 3.35Å; E28-K31 PolarHBondContact O-N 3.36Å; I29-K31 PolarHBondContact O-N 3.27Å; K31-F33 PolarHBondContact O-N 3.38Å; K31-G34 PolarHBondContact O-N 3.49Å; K31-G34 VanDerWaalsContact O-N 3.14Å
32Y92.7Very high93Very high175 Ų17567 Ų6769%0.68633%0.333SS*.Hα-helixtrans-58.3-45.2-179.1-176.8-97.3000112.6L19 E28 I29L19-Y32 HydrophobicContact CD1-CD1 4.12Å; L19-Y32 HydrophobicContact CD1-CE1 4.49Å; E28-Y32 WeakPolarHBondContact O-CB 3.44Å; E28-Y32 PolarHBondContact O-N 3.44Å; I29-Y32 PolarHBondContact O-N 3.25Å
33F90.9Very high93Very high29 Ų2962 Ų6213%0.12731%0.31CS..THydrogen-bonded Turntrans-88.10.4178.9-68.7-75.5000114.5L8 E12 N15 V16 L19 I29 K31 R35L8-F33 HydrophobicContact CD2-CB 4.32Å; L8-F33 HydrophobicContact CD2-CD1 4.32Å; E12-F33 HydrophobicContact CB-CD1 4.48Å; E12-F33 HydrophobicContact CB-CE1 4.3Å; N15-F33 HydrophobicContact CB-CE1 4.14Å; N15-F33 HydrophobicContact CB-CZ 3.6Å; V16-F33 HydrophobicContact CB-CE2 4.21Å; V16-F33 HydrophobicContact CG2-CD2 3.46Å; V16-F33 VanDerWaalsContact CG2-CD2 3.46Å; V16-F33 HydrophobicContact CG2-CE1 4.49Å; V16-F33 HydrophobicContact CG2-CE2 3.36Å; V16-F33 HydrophobicContact CG2-CG 4.11Å; V16-F33 HydrophobicContact CG2-CZ 3.94Å; L19-F33 HydrophobicContact CD1-CE2 3.82Å; L19-F33 HydrophobicContact CD1-CZ 4.31Å; I29-F33 HydrophobicContact CG2-CD2 3.83Å; I29-F33 HydrophobicContact CG2-CE2 3.96Å; I29-F33 VanDerWaalsContact O-CD2 3.28Å; I29-F33 WeakPolarHBondContact O-CD2 3.35Å; I29-F33 PolarHBondContact O-N 3.44Å; I29-F33 VanDerWaalsContact O-N 3.08Å; K31-F33 PolarHBondContact O-N 3.38Å; F33-R35 VanDerWaalsContact C-N 3.25Å; F33-R35 HydrophobicContact CB-CG 3.85Å; F33-R35 WeakPolarHBondContact O-CG 3.48Å; F33-R35 PolarHBondContact O-N 3.23Å
34G90.1Very high93Very high27 Ų2760.9 Ų60.928%0.27830%0.295SS..THydrogen-bonded Turntrans61.132-174.900000113.6H3 A30 K31H3-G34 PolarHBondContact ND1-O 2.82Å; A30-G34 PolarHBondContact O-N 3.35Å; K31-G34 PolarHBondContact O-N 3.49Å; K31-G34 VanDerWaalsContact O-N 3.14Å
35R89.4Confident93Very high29 Ų2959.3 Ų59.311%0.10930%0.296CS..  trans-109.3162.9-176.7-59.5-47.8-178.1162.29.3112.2V4 R6 Y7 L8 A30 F33 V40V4-R35 PolarHBondContact O-NH1 2.96Å; R6-R35 PolarHBondContact O-NH1 3.43Å; R6-R35 PolarHBondContact O-NH2 2.95Å; Y7-R35 PolarHBondContact O-NH2 3.22Å; L8-R35 HydrophobicContact CD1-CG 3.97Å; L8-R35 HydrophobicContact CD2-CG 4Å; L8-R35 VanDerWaalsContact CD2-NE 3.31Å; L8-R35 HydrophobicContact CG-CG 4.15Å; A30-R35 WeakPolarHBondContact CB-O 3.45Å; A30-R35 PolarHBondContact O-N 3.45Å; F33-R35 VanDerWaalsContact C-N 3.25Å; F33-R35 HydrophobicContact CB-CG 3.85Å; F33-R35 WeakPolarHBondContact O-CG 3.48Å; F33-R35 PolarHBondContact O-N 3.23Å; R35-V40 HydrophobicContact CB-CG2 4.37Å
36S90.9Very high92.7Very high51 Ų5156.1 Ų56.136%0.35728%0.284SS..  trans-72.2145.5167.462.50000109.8A38 T39 V40S36-A38 PolarHBondContact O-N 3.27Å; S36-T39 WeakPolarHBondContact O-CB 3.42Å; S36-T39 PolarHBondContact O-N 3.3Å; S36-T39 PolarHBondContact OG-N 3.31Å; S36-T39 PolarHBondContact OG-OG1 3.29Å; S36-V40 PolarHBondContact O-N 3.46Å
37E93.5Very high92.2Very high79 Ų7959 Ų5937%0.36930%0.301SS..Hα-helixtrans-53.4-36.8171.4-70.1-175.7-153.300111.9V26 A30 T39 V40 R41V26-E37 HydrophobicContact CG1-CB 4.16Å; V26-E37 HydrophobicContact CG1-CG 4.32Å; A30-E37 HydrophobicContact CB-CG 3.97Å; E37-T39 PolarHBondContact O-N 2.94Å; E37-V40 PolarHBondContact O-N 2.95Å; E37-V40 VanDerWaalsContact O-N 3.14Å; E37-R41 WeakPolarHBondContact O-CB 3.47Å; E37-R41 WeakPolarHBondContact O-CG 3.3Å; E37-R41 PolarHBondContact O-N 3.41Å; E37-R41 IonicContact OE2-NH2 2.82Å
38A92.7Very high91.5Very high62 Ų6256.4 Ų56.451%0.51229%0.288SS..Hα-helixtrans-56.6-38.2175.700000112.2S36 R42S36-A38 PolarHBondContact O-N 3.27Å; A38-R42 VanDerWaalsContact O-CG 3.27Å; A38-R42 WeakPolarHBondContact O-CG 3.33Å; A38-R42 PolarHBondContact O-N 2.94Å; A38-R42 VanDerWaalsContact O-N 3.1Å
39T90.4Very high90.6Very high39 Ų3956.8 Ų56.824%0.23929%0.285CS..Hα-helixtrans-68.4-45.2176.7-56.70000111L8 S36 E37 R42 I43L8-T39 HydrophobicContact CD1-CG2 4.31Å; S36-T39 WeakPolarHBondContact O-CB 3.42Å; S36-T39 PolarHBondContact O-N 3.3Å; S36-T39 PolarHBondContact OG-N 3.31Å; S36-T39 PolarHBondContact OG-OG1 3.29Å; E37-T39 PolarHBondContact O-N 2.94Å; T39-R42 PolarHBondContact O-N 3.04Å; T39-I43 HydrophobicContact CG2-CD1 4.28Å; T39-I43 WeakPolarHBondContact O-CG1 3.44Å; T39-I43 PolarHBondContact O-N 3.35Å; T39-I43 VanDerWaalsContact O-N 3.12Å
40V93.8Very high89.3Confident0 Ų058.1 Ų58.10%029%0.293CS..Hα-helixtrans-62.2-46.1178.41780000110.8V16 V26 I29 A30 R35 S36 E37 R42 I43 I44V16-V40 HydrophobicContact CG1-CG1 4.02Å; V26-V40 HydrophobicContact CG1-CB 4.11Å; V26-V40 HydrophobicContact CG1-CG1 3.89Å; I29-V40 HydrophobicContact CB-CG1 4.11Å; I29-V40 HydrophobicContact CG2-CG1 3.66Å; I29-V40 HydrophobicContact CG2-CG2 4.16Å; A30-V40 HydrophobicContact CB-CG2 3.89Å; R35-V40 HydrophobicContact CB-CG2 4.37Å; S36-V40 PolarHBondContact O-N 3.46Å; E37-V40 PolarHBondContact O-N 2.95Å; E37-V40 VanDerWaalsContact O-N 3.14Å; V40-R42 VanDerWaalsContact C-N 3.31Å; V40-R42 PolarHBondContact O-N 3Å; V40-I43 WeakPolarHBondContact O-CB 3.47Å; V40-I43 PolarHBondContact O-N 3.27Å; V40-I43 VanDerWaalsContact O-N 3.1Å; V40-I44 HydrophobicContact CG1-CD1 3.69Å; V40-I44 WeakPolarHBondContact O-CG1 3.32Å; V40-I44 PolarHBondContact O-N 2.94Å
41R94.9Very high88.1Confident142 Ų14266.5 Ų66.554%0.53633%0.329SS..Hα-helixtrans-58.4-40.4175.2-70.9-179.9-170.5-93.8-0.7112.3V26 E37 I43 I44 A45V26-R41 HydrophobicContact CG1-CG 3.83Å; E37-R41 WeakPolarHBondContact O-CB 3.47Å; E37-R41 WeakPolarHBondContact O-CG 3.3Å; E37-R41 PolarHBondContact O-N 3.41Å; E37-R41 IonicContact OE2-NH2 2.82Å; R41-I43 VanDerWaalsContact C-N 3.34Å; R41-I43 PolarHBondContact O-N 3.44Å; R41-I44 PolarHBondContact O-N 3.35Å; R41-A45 WeakPolarHBondContact O-CB 3.35Å; R41-A45 PolarHBondContact O-N 3.08Å
42R92.9Very high86.6Confident122 Ų12271.1 Ų71.146%0.4634%0.343SS..Hα-helixtrans-65.2-36.3176.3-75.2-179.668.4-177.81.9112.8A38 T39 V40 G46 T47 W48A38-R42 VanDerWaalsContact O-CG 3.27Å; A38-R42 WeakPolarHBondContact O-CG 3.33Å; A38-R42 PolarHBondContact O-N 2.94Å; A38-R42 VanDerWaalsContact O-N 3.1Å; T39-R42 PolarHBondContact O-N 3.04Å; V40-R42 VanDerWaalsContact C-N 3.31Å; V40-R42 PolarHBondContact O-N 3Å; R42-G46 PolarHBondContact O-N 3.02Å; R42-T47 PolarHBondContact NH2-O 3.34Å; R42-T47 PolarHBondContact O-N 2.77Å; R42-T47 PolarHBondContact O-OG1 3.37Å; R42-W48 HydrophobicContact CB-CB 4.31Å; R42-W48 PolarHBondContact O-N 3.47Å
43I92.5Very high85.2Confident7 Ų765 Ų654%0.03632%0.319CS..Hα-helixtrans-66.8-50.8175.7-67.5164000109.8L8 R13 V16 L17 T39 V40 R41 A45 G46 W48 V68L8-I43 HydrophobicContact CD1-CD1 3.34Å; R13-I43 HydrophobicContact CB-CG2 4.45Å; R13-I43 HydrophobicContact CG-CD1 4.04Å; R13-I43 HydrophobicContact CG-CG1 4.39Å; V16-I43 HydrophobicContact CB-CG2 4.23Å; V16-I43 HydrophobicContact CG1-CB 4.14Å; V16-I43 HydrophobicContact CG1-CD1 4.38Å; V16-I43 HydrophobicContact CG1-CG2 3.73Å; V16-I43 HydrophobicContact CG2-CD1 4.4Å; L17-I43 HydrophobicContact CD2-CG2 4.01Å; L17-I43 HydrophobicContact CG-CG2 4.11Å; T39-I43 HydrophobicContact CG2-CD1 4.28Å; T39-I43 WeakPolarHBondContact O-CG1 3.44Å; T39-I43 PolarHBondContact O-N 3.35Å; T39-I43 VanDerWaalsContact O-N 3.12Å; V40-I43 WeakPolarHBondContact O-CB 3.47Å; V40-I43 PolarHBondContact O-N 3.27Å; V40-I43 VanDerWaalsContact O-N 3.1Å; R41-I43 VanDerWaalsContact C-N 3.34Å; R41-I43 PolarHBondContact O-N 3.44Å; I43-A45 PolarHBondContact O-N 3.44Å; I43-G46 PolarHBondContact O-N 3.43Å; I43-W48 HydrophobicContact CG1-CB 3.86Å; I43-W48 HydrophobicContact CG1-CG 3.85Å; I43-V68 WeakPolarHBondContact O-CG2 3.45Å
44I94.4Very high83.7Confident13 Ų1368.5 Ų68.57%0.06735%0.346CS..Hα-helixtrans-62.7-31177.6-63.9161000111.7Y20 V26 V40 R41 G46 V68 K72Y20-I44 HydrophobicContact CD1-CG1 4.34Å; Y20-I44 HydrophobicContact CD1-CG2 3.92Å; Y20-I44 HydrophobicContact CD2-CD1 3.39Å; Y20-I44 HydrophobicContact CD2-CG1 3.96Å; Y20-I44 HydrophobicContact CD2-CG2 4.1Å; Y20-I44 HydrophobicContact CE1-CG2 3.62Å; Y20-I44 HydrophobicContact CE2-CD1 3.9Å; Y20-I44 HydrophobicContact CE2-CG1 4.47Å; Y20-I44 HydrophobicContact CE2-CG2 3.82Å; Y20-I44 HydrophobicContact CG-CD1 3.83Å; Y20-I44 HydrophobicContact CG-CG1 3.89Å; Y20-I44 HydrophobicContact CG-CG2 4.15Å; V26-I44 HydrophobicContact CG2-CD1 4.02Å; V40-I44 HydrophobicContact CG1-CD1 3.69Å; V40-I44 WeakPolarHBondContact O-CG1 3.32Å; V40-I44 PolarHBondContact O-N 2.94Å; R41-I44 PolarHBondContact O-N 3.35Å; I44-G46 VanDerWaalsContact C-N 3.28Å; I44-V68 WeakPolarHBondContact O-CG1 3.32Å; I44-K72 WeakPolarHBondContact O-CE 3.43Å; I44-K72 PolarHBondContact O-NZ 2.99Å
45A91.8Very high82.7Confident49 Ų4970.4 Ų70.441%0.40537%0.367SS..THydrogen-bonded Turntrans-77.2-12.217500000113.3R41 I43 T47R41-A45 WeakPolarHBondContact O-CB 3.35Å; R41-A45 PolarHBondContact O-N 3.08Å; I43-A45 PolarHBondContact O-N 3.44Å; A45-T47 HydrophobicContact CB-CG2 4.04Å; A45-T47 PolarHBondContact O-N 3.03Å
46G88.8Confident81.6Confident20 Ų2074.5 Ų74.521%0.20639%0.391CS..THydrogen-bonded Turntrans67.818.2-171.600000113.6R42 I43 I44R42-G46 PolarHBondContact O-N 3.02Å; I43-G46 PolarHBondContact O-N 3.43Å; I44-G46 VanDerWaalsContact C-N 3.28Å
47T86.2Confident80.8Confident74 Ų7474 Ų7445%0.45439%0.387SS..  trans-102.72.5179.462.80000112.6R42 A45R42-T47 PolarHBondContact NH2-O 3.34Å; R42-T47 PolarHBondContact O-N 2.77Å; R42-T47 PolarHBondContact O-OG1 3.37Å; A45-T47 HydrophobicContact CB-CG2 4.04Å; A45-T47 PolarHBondContact O-N 3.03Å
48W80.3Confident80.1Confident29 Ų2973.6 Ų73.611%0.1139%0.393CS..  trans-67.8131.1169.6-171.991.7000109.9Y7 R13 R42 I43 P50Y7-W48 HydrophobicContact CD1-CZ2 4.38Å; R13-W48 VanDerWaalsContact CD-CE3 3.47Å; R13-W48 VanDerWaalsContact NE-CZ3 3.29Å; R13-W48 VanDerWaalsContact NH1-CE3 3.32Å; R42-W48 HydrophobicContact CB-CB 4.31Å; R42-W48 PolarHBondContact O-N 3.47Å; I43-W48 HydrophobicContact CG1-CB 3.86Å; I43-W48 HydrophobicContact CG1-CG 3.85Å; W48-P50 HydrophobicContact CE3-CG 4.28Å; W48-P50 HydrophobicContact CH2-CB 3.54Å; W48-P50 HydrophobicContact CH2-CG 3.88Å; W48-P50 HydrophobicContact CZ2-CB 4.38Å; W48-P50 HydrophobicContact CZ3-CB 3.66Å; W48-P50 HydrophobicContact CZ3-CG 3.44Å; W48-P50 VanDerWaalsContact CZ3-CG 3.44Å
49R74.5Confident79.7Confident111 Ų11178.1 Ų78.142%0.41940%0.397SS..  trans-130.2117.7178-58.1-68.3-177.1151.22.4107.5
50P69.3Low79.2Confident28 Ų2882.5 Ų82.518%0.18241%0.409CS..  trans-64.1136.5163.824.9-18.9000107.9W48 R52 Y53W48-P50 HydrophobicContact CE3-CG 4.28Å; W48-P50 HydrophobicContact CH2-CB 3.54Å; W48-P50 HydrophobicContact CH2-CG 3.88Å; W48-P50 HydrophobicContact CZ2-CB 4.38Å; W48-P50 HydrophobicContact CZ3-CB 3.66Å; W48-P50 HydrophobicContact CZ3-CG 3.44Å; W48-P50 VanDerWaalsContact CZ3-CG 3.44Å; P50-R52 PolarHBondContact O-N 3.48Å; P50-Y53 WeakPolarHBondContact CD-OH 3.01Å; P50-Y53 HydrophobicContact CG-CD1 3.95Å; P50-Y53 HydrophobicContact CG-CD2 3.67Å; P50-Y53 HydrophobicContact CG-CE1 3.6Å; P50-Y53 HydrophobicContact CG-CE2 3.33Å; P50-Y53 HydrophobicContact CG-CG 3.96Å
51K66.9Low78.7Confident183 Ų18383.9 Ų83.980%0.79642%0.416SS*.THydrogen-bonded Turntrans-61.5-11.9177.1-76.3-172.2176.8179.70113.4
52R62.1Low78.2Confident224 Ų22482.8 Ų82.885%0.84542%0.418SS*.THydrogen-bonded Turntrans-132.552.1-169.9-53.9-168.9-162.3-153.55.6112.9P50 S54P50-R52 PolarHBondContact O-N 3.48Å; R52-S54 VanDerWaalsContact C-N 3.25Å; R52-S54 PolarHBondContact O-N 3.45Å
53Y63Low77.8Confident48 Ų4881.2 Ų81.219%0.18842%0.416CS..  trans-67.698.1155.9-72.9-63.8000107.1P50 R60 I61 D64P50-Y53 WeakPolarHBondContact CD-OH 3.01Å; P50-Y53 HydrophobicContact CG-CD1 3.95Å; P50-Y53 HydrophobicContact CG-CD2 3.67Å; P50-Y53 HydrophobicContact CG-CE1 3.6Å; P50-Y53 HydrophobicContact CG-CE2 3.33Å; P50-Y53 HydrophobicContact CG-CG 3.96Å; Y53-R60 HydrophobicContact CD1-CB 4.29Å; Y53-R60 HydrophobicContact CE1-CB 3.91Å; Y53-I61 HydrophobicContact CD2-CG1 4.34Å; Y53-I61 HydrophobicContact CE2-CG1 3.92Å; Y53-D64 PolarHBondContact OH-OD2 2.91Å
54S60.3Low77.5Confident101 Ų10182.7 Ų82.771%0.70642%0.424SS*.  trans-78.1133.5160.848.80000108.3R52R52-S54 VanDerWaalsContact C-N 3.25Å; R52-S54 PolarHBondContact O-N 3.45Å
55G68.7Low77.2Confident68 Ų6886.9 Ų86.970%0.70144%0.442SS*.SBendtrans94.5-157.6178.800000114.7S57G55-S57 PolarHBondContact O-N 3.3Å
56D65.3Low77.2Confident115 Ų11592.2 Ų92.262%0.61545%0.452SS*.  trans-68.374.6-176.9-167.3-1.9000111.3S58 R59D56-S58 PolarHBondContact O-N 2.92Å; D56-R59 PolarHBondContact O-N 3.08Å
57S73.8Confident77.3Confident41 Ų4194.7 Ų94.729%0.28746%0.461SS..Hα-helixtrans-59.2-31.2-17862.60000110.9G55 R59 R60 I61G55-S57 PolarHBondContact O-N 3.3Å; S57-R59 PolarHBondContact O-N 3.39Å; S57-R60 PolarHBondContact O-N 2.86Å; S57-I61 VanDerWaalsContact O-CB 3.26Å; S57-I61 WeakPolarHBondContact O-CB 3.11Å; S57-I61 WeakPolarHBondContact O-CD1 3.34Å; S57-I61 WeakPolarHBondContact O-CG1 3.4Å; S57-I61 PolarHBondContact O-N 3.3Å
58S80Confident77.6Confident69 Ų6991.6 Ų91.648%0.48344%0.442SS..Hα-helixtrans-57-48.1-177.7-610000111.9D56 I61 M62D56-S58 PolarHBondContact O-N 2.92Å; S58-I61 PolarHBondContact O-N 3.35Å; S58-M62 WeakPolarHBondContact O-CG 3.49Å; S58-M62 PolarHBondContact O-N 2.94Å
59R82.9Confident78.2Confident158 Ų15895.8 Ų95.860%0.59647%0.466SS*.Hα-helixtrans-60.7-51.9178.1-179.1176.6170.4173.81.5111.9D56 S57 I61 M62 E63D56-R59 PolarHBondContact O-N 3.08Å; S57-R59 PolarHBondContact O-N 3.39Å; R59-I61 VanDerWaalsContact C-N 3.29Å; R59-I61 PolarHBondContact O-N 3.42Å; R59-M62 WeakPolarHBondContact O-CB 3.23Å; R59-M62 PolarHBondContact O-N 3.42Å; R59-M62 VanDerWaalsContact O-N 3.08Å; R59-E63 WeakPolarHBondContact CG-OE1 3.44Å; R59-E63 IonicContact CZ-OE1 2.79Å; R59-E63 IonicContact NE-OE1 3.6Å; R59-E63 PolarHBondContact NE-OE1 2.92Å; R59-E63 IonicContact NH2-OE1 2.6Å; R59-E63 PolarHBondContact NH2-OE1 3.4Å; R59-E63 WeakPolarHBondContact O-CG 3.26Å; R59-E63 PolarHBondContact O-N 3.02Å
60R80.6Confident79.2Confident131 Ų13195.9 Ų95.949%0.49447%0.469SS..Hα-helixtrans-62.3-37.3-179.6-66.3-175.1-177.9-176.62.4112.5Y53 S57 M62 E63 D64Y53-R60 HydrophobicContact CD1-CB 4.29Å; Y53-R60 HydrophobicContact CE1-CB 3.91Å; S57-R60 PolarHBondContact O-N 2.86Å; R60-M62 VanDerWaalsContact C-N 3.33Å; R60-E63 PolarHBondContact O-N 3.39Å; R60-D64 WeakPolarHBondContact O-CB 3.38Å; R60-D64 PolarHBondContact O-N 3.14Å
61I82.6Confident80.3Confident28 Ų2894.9 Ų94.914%0.14446%0.462CS..Hα-helixtrans-62.4-42.1175-71.2161.2000110.6Y53 S57 S58 R59 K65Y53-I61 HydrophobicContact CD2-CG1 4.34Å; Y53-I61 HydrophobicContact CE2-CG1 3.92Å; S57-I61 VanDerWaalsContact O-CB 3.26Å; S57-I61 WeakPolarHBondContact O-CB 3.11Å; S57-I61 WeakPolarHBondContact O-CD1 3.34Å; S57-I61 WeakPolarHBondContact O-CG1 3.4Å; S57-I61 PolarHBondContact O-N 3.3Å; S58-I61 PolarHBondContact O-N 3.35Å; R59-I61 VanDerWaalsContact C-N 3.29Å; R59-I61 PolarHBondContact O-N 3.42Å; I61-K65 HydrophobicContact CG2-CD 4.36Å; I61-K65 WeakPolarHBondContact O-CB 3.31Å; I61-K65 VanDerWaalsContact O-CG 3.3Å; I61-K65 WeakPolarHBondContact O-CG 3.17Å; I61-K65 PolarHBondContact O-N 3.06Å
62M85Confident81.6Confident120 Ų12090 Ų9059%0.59144%0.441SS*.Hα-helixtrans-67.9-42.3177.5-71.8-172.9-6500111.6S58 R59 R60 K65 Y66S58-M62 WeakPolarHBondContact O-CG 3.49Å; S58-M62 PolarHBondContact O-N 2.94Å; R59-M62 WeakPolarHBondContact O-CB 3.23Å; R59-M62 PolarHBondContact O-N 3.42Å; R59-M62 VanDerWaalsContact O-N 3.08Å; R60-M62 VanDerWaalsContact C-N 3.33Å; M62-K65 PolarHBondContact O-N 3.03Å; M62-Y66 WeakPolarHBondContact O-CB 3.47Å; M62-Y66 PolarHBondContact O-N 3.34Å
63E85.7Confident83.1Confident89 Ų8981.4 Ų81.442%0.41642%0.418SS..Hα-helixtrans-60-47.2175.8-71.2167.8174.900111.4R59 R60 K65 Y66 L67R59-E63 WeakPolarHBondContact CG-OE1 3.44Å; R59-E63 IonicContact CZ-OE1 2.79Å; R59-E63 IonicContact NE-OE1 3.6Å; R59-E63 PolarHBondContact NE-OE1 2.92Å; R59-E63 IonicContact NH2-OE1 2.6Å; R59-E63 PolarHBondContact NH2-OE1 3.4Å; R59-E63 WeakPolarHBondContact O-CG 3.26Å; R59-E63 PolarHBondContact O-N 3.02Å; R60-E63 PolarHBondContact O-N 3.39Å; E63-K65 PolarHBondContact O-N 3.47Å; E63-Y66 PolarHBondContact O-N 3.3Å; E63-L67 WeakPolarHBondContact O-CB 3.01Å; E63-L67 PolarHBondContact O-N 2.96Å
64D84.9Confident84.5Confident37 Ų3781 Ų8120%0.19842%0.419CS..Hα-helixtrans-60.3-43.8175.9-84.8-18000111.5R13 Y53 R60 L67 V68R13-D64 IonicContact CZ-OD2 3.54Å; R13-D64 IonicContact NH1-OD1 2.8Å; R13-D64 IonicContact NH1-OD2 3.75Å; R13-D64 PolarHBondContact NH1-OD2 2.94Å; Y53-D64 PolarHBondContact OH-OD2 2.91Å; R60-D64 WeakPolarHBondContact O-CB 3.38Å; R60-D64 PolarHBondContact O-N 3.14Å; D64-L67 PolarHBondContact O-N 3.43Å; D64-V68 VanDerWaalsContact O-CG2 3.32Å; D64-V68 WeakPolarHBondContact O-CG2 3.49Å; D64-V68 PolarHBondContact O-N 2.98Å; D64-V68 VanDerWaalsContact O-N 3.08Å
65K88.9Confident85.9Confident102 Ų10278.6 Ų78.644%0.44340%0.395SS..Hα-helixtrans-63.4-43.6176.5-78178.1176.2-171.70112.2I61 M62 E63 L67 V68 L69I61-K65 HydrophobicContact CG2-CD 4.36Å; I61-K65 WeakPolarHBondContact O-CB 3.31Å; I61-K65 VanDerWaalsContact O-CG 3.3Å; I61-K65 WeakPolarHBondContact O-CG 3.17Å; I61-K65 PolarHBondContact O-N 3.06Å; M62-K65 PolarHBondContact O-N 3.03Å; E63-K65 PolarHBondContact O-N 3.47Å; K65-L67 VanDerWaalsContact C-N 3.34Å; K65-V68 PolarHBondContact O-N 3.43Å; K65-L69 WeakPolarHBondContact O-CG 3.06Å; K65-L69 PolarHBondContact O-N 3.28Å
66Y90.9Very high87Confident160 Ų16079.7 Ų79.763%0.62738%0.384SS*.Hα-helixtrans-61.4-44.5178.1176.8-98000111M62 E63 V68 L69 K70M62-Y66 WeakPolarHBondContact O-CB 3.47Å; M62-Y66 PolarHBondContact O-N 3.34Å; E63-Y66 PolarHBondContact O-N 3.3Å; Y66-V68 PolarHBondContact O-N 2.86Å; Y66-L69 PolarHBondContact O-N 3.33Å; Y66-K70 PolarHBondContact O-N 3.2Å
67L91Very high88.2Confident73 Ų7377.3 Ų77.338%0.38237%0.368SS..Hα-helixtrans-59.7-45.3176.8-176.162.7000111.9L17 E63 D64 K65 L69 K70 V71L17-L67 HydrophobicContact CD1-CD2 3.87Å; L17-L67 HydrophobicContact CD1-CG 3.93Å; E63-L67 WeakPolarHBondContact O-CB 3.01Å; E63-L67 PolarHBondContact O-N 2.96Å; D64-L67 PolarHBondContact O-N 3.43Å; K65-L67 VanDerWaalsContact C-N 3.34Å; L67-L69 VanDerWaalsContact C-N 3.34Å; L67-L69 PolarHBondContact O-N 3.11Å; L67-K70 PolarHBondContact O-N 3Å; L67-V71 WeakPolarHBondContact O-CG2 3.48Å; L67-V71 PolarHBondContact O-N 3.28Å
68V93Very high88.7Confident9 Ų978.4 Ų78.46%0.05537%0.371CS..Hα-helixtrans-59.7-43.4176.2167.90000111.9L17 I43 I44 D64 K65 Y66 V71 K72L17-V68 HydrophobicContact CD1-CG2 3.97Å; L17-V68 HydrophobicContact CD2-CG2 3.99Å; I43-V68 WeakPolarHBondContact O-CG2 3.45Å; I44-V68 WeakPolarHBondContact O-CG1 3.32Å; D64-V68 VanDerWaalsContact O-CG2 3.32Å; D64-V68 WeakPolarHBondContact O-CG2 3.49Å; D64-V68 PolarHBondContact O-N 2.98Å; D64-V68 VanDerWaalsContact O-N 3.08Å; K65-V68 PolarHBondContact O-N 3.43Å; Y66-V68 PolarHBondContact O-N 2.86Å; V68-V71 PolarHBondContact O-N 3.35Å; V68-K72 HydrophobicContact CG1-CD 4.29Å; V68-K72 WeakPolarHBondContact O-CG 3.32Å; V68-K72 PolarHBondContact O-N 3.13Å
69L93.3Very high88.9Confident117 Ų11779.6 Ų79.661%0.61337%0.371SS*.Hα-helixtrans-64.4-42.8177.9-73.3172.5000111.8K65 Y66 L67 V71 K72 A73K65-L69 WeakPolarHBondContact O-CG 3.06Å; K65-L69 PolarHBondContact O-N 3.28Å; Y66-L69 PolarHBondContact O-N 3.33Å; L67-L69 VanDerWaalsContact C-N 3.34Å; L67-L69 PolarHBondContact O-N 3.11Å; L69-V71 PolarHBondContact O-N 3.12Å; L69-K72 PolarHBondContact O-N 3.21Å; L69-A73 WeakPolarHBondContact O-CB 3.43Å; L69-A73 PolarHBondContact O-N 3.12Å
70K94.2Very high88.8Confident113 Ų11378.6 Ų78.649%0.49137%0.371SS..Hα-helixtrans-58.6-47.3176.3-175.1177.9179.3179.60111.6Y66 L67 A73 N74Y66-K70 PolarHBondContact O-N 3.2Å; L67-K70 PolarHBondContact O-N 3Å; K70-A73 PolarHBondContact O-N 2.7Å; K70-N74 PolarHBondContact O-N 3.4Å
71V93.5Very high88.6Confident6 Ų680.4 Ų80.44%0.03638%0.383CS..Hα-helixtrans-60.8-45.8177.8161.70000111.7L17 Y20 E21 L67 V68 L69 A73 N74 R75L17-V71 HydrophobicContact CB-CG1 4.29Å; L17-V71 HydrophobicContact CB-CG2 4.02Å; L17-V71 WeakPolarHBondContact O-CG1 3.49Å; Y20-V71 HydrophobicContact CD1-CG1 3.92Å; E21-V71 HydrophobicContact CB-CG1 4Å; E21-V71 HydrophobicContact CG-CG1 4.44Å; L67-V71 WeakPolarHBondContact O-CG2 3.48Å; L67-V71 PolarHBondContact O-N 3.28Å; V68-V71 PolarHBondContact O-N 3.35Å; L69-V71 PolarHBondContact O-N 3.12Å; V71-A73 VanDerWaalsContact C-N 3.35Å; V71-A73 PolarHBondContact O-N 2.89Å; V71-N74 PolarHBondContact O-N 3.23Å; V71-R75 PolarHBondContact O-N 2.82Å
72K94Very high87.8Confident80 Ų8085.8 Ų85.835%0.34841%0.411SS..Hα-helixtrans-62.1-41.9176.3-75.6178.6178.6176.20112.3Y20 I44 V68 L69 R75 L76Y20-K72 HydrophobicContact CE1-CG 4.3Å; I44-K72 WeakPolarHBondContact O-CE 3.43Å; I44-K72 PolarHBondContact O-NZ 2.99Å; V68-K72 HydrophobicContact CG1-CD 4.29Å; V68-K72 WeakPolarHBondContact O-CG 3.32Å; V68-K72 PolarHBondContact O-N 3.13Å; L69-K72 PolarHBondContact O-N 3.21Å; K72-R75 PolarHBondContact O-N 3.37Å; K72-L76 WeakPolarHBondContact O-CB 3.44Å; K72-L76 PolarHBondContact O-N 3.48Å
73A92.7Very high86.7Confident45 Ų4587 Ų8737%0.37242%0.415SS..Hα-helixtrans-62.3-44.317700000111.3L69 K70 V71 L76 K77L69-A73 WeakPolarHBondContact O-CB 3.43Å; L69-A73 PolarHBondContact O-N 3.12Å; K70-A73 PolarHBondContact O-N 2.7Å; V71-A73 VanDerWaalsContact C-N 3.35Å; V71-A73 PolarHBondContact O-N 2.89Å; A73-L76 PolarHBondContact O-N 2.73Å; A73-K77 WeakPolarHBondContact O-CG 3.49Å; A73-K77 PolarHBondContact O-N 2.71Å
74N92.7Very high85.3Confident39 Ų3987.4 Ų87.421%0.20943%0.426CS..Hα-helixtrans-65.1-43.3177.2-73.5-11000112.5E21 K70 V71 L76 K77 N78E21-N74 HydrophobicContact CG-CB 3.8Å; E21-N74 WeakPolarHBondContact OE1-CB 3.27Å; E21-N74 VanDerWaalsContact OE1-CG 3.29Å; E21-N74 PolarHBondContact OE1-ND2 3.28Å; K70-N74 PolarHBondContact O-N 3.4Å; V71-N74 PolarHBondContact O-N 3.23Å; N74-L76 VanDerWaalsContact C-N 3.29Å; N74-L76 PolarHBondContact O-N 2.85Å; N74-K77 WeakPolarHBondContact O-CB 3.39Å; N74-K77 PolarHBondContact O-N 3.21Å; N74-K77 VanDerWaalsContact O-N 3.15Å; N74-N78 VanDerWaalsContact O-CG 3.29Å; N74-N78 PolarHBondContact O-N 2.94Å; N74-N78 PolarHBondContact O-ND2 3.18Å
75R91Very high83.8Confident50 Ų5090.8 Ų90.819%0.18946%0.459CS..Hα-helixtrans-57.1-44.3173.4-168.7-177.3176.6128.40.9111.1Y20 G23 E24 V71 K72 N78 L79Y20-R75 VanDerWaalsContact O-CD 3.23Å; Y20-R75 WeakPolarHBondContact O-CD 3.45Å; Y20-R75 PolarHBondContact O-NH1 2.71Å; G23-R75 PolarHBondContact O-NH2 3.11Å; G23-R75 VanDerWaalsContact O-NH2 3.12Å; E24-R75 PolarHBondContact O-NH1 3.35Å; V71-R75 PolarHBondContact O-N 2.82Å; K72-R75 PolarHBondContact O-N 3.37Å; R75-N78 PolarHBondContact O-N 3.33Å; R75-L79 HydrophobicContact CG-CD1 4.4Å; R75-L79 WeakPolarHBondContact O-CG 3.33Å; R75-L79 PolarHBondContact O-N 3.36Å
76L91Very high82Confident91 Ų9194.6 Ų94.648%0.47648%0.475SS..Hα-helixtrans-64-40.1177-175.963.1000112.3K72 A73 N74 N78 L79 K80K72-L76 WeakPolarHBondContact O-CB 3.44Å; K72-L76 PolarHBondContact O-N 3.48Å; A73-L76 PolarHBondContact O-N 2.73Å; N74-L76 VanDerWaalsContact C-N 3.29Å; N74-L76 PolarHBondContact O-N 2.85Å; L76-N78 VanDerWaalsContact C-N 3.35Å; L76-L79 PolarHBondContact O-N 2.97Å; L76-K80 WeakPolarHBondContact O-CG 3.44Å; L76-K80 PolarHBondContact O-N 3.25Å
77K89.9Confident80Confident65 Ų6594.9 Ų94.928%0.28349%0.487SS..Hα-helixtrans-60.6-43.9173.6-71175.1-172.9179.70111.2A73 N74 K80 K81 E157A73-K77 WeakPolarHBondContact O-CG 3.49Å; A73-K77 PolarHBondContact O-N 2.71Å; N74-K77 WeakPolarHBondContact O-CB 3.39Å; N74-K77 PolarHBondContact O-N 3.21Å; N74-K77 VanDerWaalsContact O-N 3.15Å; K77-K80 PolarHBondContact O-N 3.11Å; K77-K81 WeakPolarHBondContact O-CG 3.46Å; K77-K81 PolarHBondContact O-N 2.98Å; K77-K81 VanDerWaalsContact O-N 3.1Å; K77-E157 WeakPolarHBondContact CE-OE2 3.24Å; K77-E157 IonicContact NZ-OE1 3.74Å; K77-E157 PolarHBondContact NZ-OE1 2.65Å; K77-E157 IonicContact NZ-OE2 3.92Å; K77-E157 PolarHBondContact NZ-OE2 2.76Å
78N84.9Confident77.5Confident65 Ų6599.2 Ų99.235%0.34851%0.51SS..Hα-helixtrans-65.5-40.8178.8-66.5-18.3000111.8N74 R75 L76 K80 K81 L82N74-N78 VanDerWaalsContact O-CG 3.29Å; N74-N78 PolarHBondContact O-N 2.94Å; N74-N78 PolarHBondContact O-ND2 3.18Å; R75-N78 PolarHBondContact O-N 3.33Å; L76-N78 VanDerWaalsContact C-N 3.35Å; N78-K80 VanDerWaalsContact C-N 3.33Å; N78-K80 PolarHBondContact O-N 3.31Å; N78-K81 PolarHBondContact O-N 3.28Å; N78-L82 WeakPolarHBondContact O-CG 3.14Å; N78-L82 PolarHBondContact O-N 3.12Å
79L84.8Confident75.1Confident93 Ų93104 Ų10449%0.48754%0.544SS..Hα-helixtrans-62.9-37.5174.4-71171.2000112.6R75 L76 L82 Q83R75-L79 HydrophobicContact CG-CD1 4.4Å; R75-L79 WeakPolarHBondContact O-CG 3.33Å; R75-L79 PolarHBondContact O-N 3.36Å; L76-L79 PolarHBondContact O-N 2.97Å; L79-L82 PolarHBondContact O-N 3.2Å; L79-Q83 PolarHBondContact O-N 3.28Å
80K80.3Confident72.7Confident137 Ų137104.7 Ų104.760%0.59656%0.558SS**Hα-helixtrans-68.2-33.7175.5-74.4-177.7177.8-172.90113.1L76 K77 N78 L82 Q83L76-K80 WeakPolarHBondContact O-CG 3.44Å; L76-K80 PolarHBondContact O-N 3.25Å; K77-K80 PolarHBondContact O-N 3.11Å; N78-K80 VanDerWaalsContact C-N 3.33Å; N78-K80 PolarHBondContact O-N 3.31Å; K80-L82 VanDerWaalsContact C-N 3.26Å; K80-L82 PolarHBondContact O-N 2.99Å; K80-Q83 PolarHBondContact O-N 2.96Å
81K77.5Confident70.2Confident169 Ų169106.4 Ų106.474%0.73557%0.572SS**Hα-helixtrans-67.5-26.9175.1-70.4176-179.3-179.50112.9K77 N78K77-K81 WeakPolarHBondContact O-CG 3.46Å; K77-K81 PolarHBondContact O-N 2.98Å; K77-K81 VanDerWaalsContact O-N 3.1Å; N78-K81 PolarHBondContact O-N 3.28Å
82L65.9Low67.6Low141 Ų141110.9 Ų110.974%0.73860%0.604SS**Hα-helixtrans-84.4-14.4178.2-66.6171.5000113.1N78 L79 K80 P84N78-L82 WeakPolarHBondContact O-CG 3.14Å; N78-L82 PolarHBondContact O-N 3.12Å; L79-L82 PolarHBondContact O-N 3.2Å; K80-L82 VanDerWaalsContact C-N 3.26Å; K80-L82 PolarHBondContact O-N 2.99Å; L82-P84 WeakPolarHBondContact O-CD 3.41Å
83Q61.6Low65.3Low145 Ų145111.9 Ų111.968%0.67862%0.621SS**SBendtrans-73.2122.6171.1-70.7-91.6-38.500108.2L79 K80 A85L79-Q83 PolarHBondContact O-N 3.28Å; K80-Q83 PolarHBondContact O-N 2.96Å; Q83-A85 PolarHBondContact O-N 3.03Å
84P55.9Low63Low98 Ų98116.4 Ų116.464%0.63664%0.643SS**  trans-59.3132.6169.324.8-31.1000108.2L82 K86L82-P84 WeakPolarHBondContact O-CD 3.41Å; P84-K86 PolarHBondContact O-N 3.01Å
85A54Low60.8Low108 Ų108122.9 Ų122.989%0.89367%0.672SS**SBendtrans-59.385.5173.300000109.9Q83Q83-A85 PolarHBondContact O-N 3.03Å
86K50Low58.5Low182 Ų182125.6 Ų125.679%0.79170%0.699SS**  trans-143.393.6171.5-73.8-167.3178.4-177.60107.9P84P84-K86 PolarHBondContact O-N 3.01Å
87L48.5Very low56.5Low166 Ų166133 Ų13387%0.86972%0.721SS**  174.673.9129.5-88.9164.2000107.2
88D40.1Very low54.7Low164 Ų164134.6 Ų134.688%0.87774%0.74SS**  trans-64.8150.1140-87.4-42.1000107.8
89S42.7Very low52.7Low110 Ų110136.8 Ų136.877%0.76976%0.761SS**  trans81.793.1173176.20000117.3
90C42.4Very low51Low132 Ų132138.6 Ų138.689%0.89278%0.776SS**  -152.7123.111047.10000111.8
91D41.8Very low49.6Very low149 Ų149140.3 Ų140.380%0.79779%0.786SS**  trans-66.3159.7-179.6-147.1-21.7000112.7
92S38.6Very low48.6Very low100 Ų100139.7 Ų139.770%0.69979%0.79SS**  trans3.4120.7160.561.40000119.3
93S45.7Very low48.2Very low100 Ų100138.7 Ų138.770%0.69980%0.795SS**  trans-157.597140.9-177.70000110.5Q95S93-Q95 PolarHBondContact O-N 3.39Å
94V43.9Very low47.5Very low140 Ų140139.8 Ų139.885%0.84881%0.806SS**  trans-70.5109.5159.5176.40000106.6
95Q46.7Very low47.5Very low175 Ų175143.4 Ų143.482%0.81882%0.816SS**  trans-132.2107.4160.6-84.6-170.3-17.500110.9S93S93-Q95 PolarHBondContact O-N 3.39Å
96S41.7Very low47.2Very low108 Ų108143 Ų14376%0.75581%0.807SS**  trans-38.5134.4162.4-500000113.2
97R50.7Low47.6Very low245 Ų245139.5 Ų139.593%0.92581%0.805SS**  trans176.6132.5154.1-101.1158.2165.6-171.1-5.9107.5
98S50.4Low47.5Very low100 Ų100138.7 Ų138.770%0.69980%0.802SS**  cis-172141.1-11.634.60000102.9T100S98-T100 PolarHBondContact O-N 2.93Å
99S43.5Very low48.1Very low111 Ų111141.1 Ų141.178%0.77681%0.805SS**  trans-56.8120.4178.346.80000112.6
100T50.1Low48.4Very low131 Ų131140.7 Ų140.780%0.80480%0.802SS**  trans-110.8105.5161.78.40000109S98S98-T100 PolarHBondContact O-N 2.93Å
101H49.6Very low48.6Very low173 Ų173144.7 Ų144.780%0.80180%0.798SS**  trans-57.4130.3162.4-81.3-96.8000109.4
102N57.2Low48.6Very low156 Ų156144 Ų14483%0.83479%0.794SS**  trans-126.8115.7155.1-82.1-26.3000107.8
103S58.4Low49.2Very low120 Ų120144.8 Ų144.884%0.83980%0.8SS**  trans-70.2140.9-178.538.40000111.7
104N46.5Very low49Very low168 Ų168145.3 Ų145.390%0.89880%0.801SS**  trans-68.5125.8166.4-70.6-32.4000109.7
105M56.1Low48.6Very low173 Ų173145.2 Ų145.285%0.85280%0.796SS**  trans-116.7116.4154.1-99.8-139.586.900109.1
106S46.9Very low48.3Very low100 Ų100142.5 Ų142.570%0.69980%0.796SS**  trans-92.9132.6169.2175.70000108.7
107S58.5Low47.8Very low109 Ų109146.9 Ų146.976%0.76280%0.797SS**  trans-155.4125153.745.40000110.9
108N47.3Very low47.3Very low149 Ų149140.8 Ų140.880%0.79779%0.79SS**  trans-65.2140.3179.4-66.3-42.3000112.2
109K51.7Low46.4Very low214 Ų214145.4 Ų145.493%0.9380%0.797SS**  trans-166.3148.3132.9-115.1167.6-179.8174.70113.4
110S49.4Very low46Very low101 Ų101148.2 Ų148.271%0.70680%0.802SS**  trans-82.4160.7-160.8550000116.6
111R46.2Very low45.5Very low217 Ų217152.3 Ų152.382%0.81980%0.803SS**  trans90.6125.3137.5-95.6-178.6171166.2-3.4120.5
112D41.7Very low44.6Very low133 Ų133152.8 Ų152.871%0.71181%0.806SS**  trans85.195.2142.3-55.4-32.2000121.6
113S50.3Low43.6Very low117 Ų117153.2 Ų153.282%0.81881%0.806SS**  65.8163.7123.8-109.50000121.1
114P43.3Very low42.4Very low111 Ų111153.1 Ų153.172%0.72180%0.803SS**  -122.8170.6-102.235.3-17.5000116.4
115N34.6Very low41.6Very low139 Ų139148.7 Ų148.774%0.74380%0.797SS**  trans65.4104.3159.6-89.4-11.2000119.8
116S39.5Very low40.6Very low117 Ų117150 Ų15082%0.81880%0.801SS**  trans-157.9120.2146-172.60000110.3
117Y32.5Very low40Very low200 Ų200152.1 Ų152.178%0.78480%0.803SS**PPolyproline II helixtrans-80.1138.2177.4-49.9-91.5000110.6
118P39.4Very low38.8Very low118 Ų118154 Ų15477%0.76680%0.804SS**PPolyproline II helixtrans-98.4131165.233.1-25.2000112.2
119K31Very low38.8Very low196 Ų196156.5 Ų156.585%0.85281%0.808SS**PPolyproline II helixtrans-58.4126.9167-161.4171.5-169.4171.20109.8
120L36.9Very low38.2Very low171 Ų171152.8 Ų152.890%0.89580%0.803SS**  trans-117.6118169.5-85.5169.5000110.9
121R39.2Very low38Very low217 Ų217156.8 Ų156.882%0.81981%0.808SS**  trans-77.4146.7169.7-69.7-178.8-179.9-179.7-0.5110
122E30Very low38.4Very low183 Ų183151.4 Ų151.486%0.85580%0.804SS**  trans19.3117.1152.7-67.7172.9159.700120.1
123I36.3Very low39.3Very low164 Ų164154.6 Ų154.684%0.84181%0.811SS**  trans-140.9125.5144.5-55.6179.9000107.8
124P32.2Very low40.1Very low118 Ų118154.8 Ų154.877%0.76680%0.799SS**  trans-85.6145.4175.134.3-30.2000111.3
125G31.2Very low41.5Very low75 Ų75153.3 Ų153.377%0.77379%0.788SS**  trans6592.6158.100000117.7
126Q33.7Very low43.1Very low200 Ų200149.9 Ų149.994%0.93577%0.769SS**  trans-159.6136.2139.9-125.9173.216.300112.6
127I35.2Very low44.6Very low146 Ų146150.2 Ų150.275%0.74976%0.761SS**  trans-70.2149.6-175.3-67.7152.6000110.6
128D34.1Very low46.2Very low147 Ų147142.7 Ų142.779%0.78674%0.737SS**  trans58.197.5162.4-61.4-22.1000119.5
129K46Very low47.8Very low203 Ų203142.6 Ų142.688%0.88374%0.74SS**  trans-110.6101.5151.6-83.1-177.5177.9177.30110.4F131K129-F131 PolarHBondContact O-N 3.46Å
130V39.3Very low50Low135 Ų135141.4 Ų141.482%0.81874%0.737SS**  trans-32.7118158.8177.80000110.9S132V130-S132 PolarHBondContact O-N 2.97Å
131F46.1Very low51.4Low185 Ų185135.6 Ų135.681%0.81172%0.718SS**  trans-62.2127.7172.5-93.2-94.1000109.8K129K129-F131 PolarHBondContact O-N 3.46Å
132S53.7Low53.1Low105 Ų105128.7 Ų128.773%0.73470%0.703SS**  trans-58.3144.2174.3-50.70000110.6V130 E134V130-S132 PolarHBondContact O-N 2.97Å; S132-E134 PolarHBondContact O-N 3.49Å
133K60.7Low55.2Low200 Ų200125.9 Ų125.987%0.8769%0.694SS**  trans-43.584.6-175.9-60.4173.3-179.21790113.6
134E68.3Low56.9Low121 Ų121120 Ų12057%0.56567%0.665SS**  trans-78.3135.1167.1-74.9-172.9174.700108.9S132 V146S132-E134 PolarHBondContact O-N 3.49Å; E134-V146 HydrophobicContact CB-CB 4.19Å; E134-V146 HydrophobicContact CB-CG2 3.49Å; E134-V146 VanDerWaalsContact CB-CG2 3.49Å; E134-V146 WeakPolarHBondContact O-CG2 3.21Å; E134-V146 PolarHBondContact O-N 2.8Å
135V71.3Confident59.2Low79 Ų79116.2 Ų116.248%0.47964%0.641SS.*EExtended strand (participates in β ladder)trans-122.2132.4-177.1-170.50000108L143 V144V135-L143 HydrophobicContact CB-CD2 4.4Å; V135-L143 HydrophobicContact CG1-CB 3.53Å; V135-L143 HydrophobicContact CG1-CD1 4.47Å; V135-L143 HydrophobicContact CG1-CD2 3.56Å; V135-L143 HydrophobicContact CG1-CG 4.01Å; V135-V144 CarbonylContact C-O 3.54Å; V135-V144 WeakPolarHBondContact CA-O 3.38Å
136L68.7Low61.4Low67 Ų67114.2 Ų114.235%0.35161%0.614SS.*EExtended strand (participates in β ladder)trans-99138.3176.2-61.7173.1000109.3L143 V144 V146 F149L136-L143 CarbonylContact O-C 3.55Å; L136-L143 WeakPolarHBondContact O-CA 3.42Å; L136-V144 PolarHBondContact N-O 3.1Å; L136-V144 PolarHBondContact O-N 2.8Å; L136-V146 HydrophobicContact CD1-CG2 4.03Å; L136-V146 HydrophobicContact CD2-CG2 4.03Å; L136-V146 HydrophobicContact CG-CG2 3.68Å; L136-F149 HydrophobicContact CD1-CB 3.81Å; L136-F149 HydrophobicContact CD1-CD1 3.46Å; L136-F149 VanDerWaalsContact CD1-CD1 3.46Å; L136-F149 HydrophobicContact CD1-CE1 4.15Å; L136-F149 HydrophobicContact CD1-CG 3.67Å
137L70.9Confident63.6Low125 Ų125109.9 Ų109.965%0.65459%0.593SS**EExtended strand (participates in β ladder)trans-88.4118.2169.7-161.580.9000108.7L143L137-L143 HydrophobicContact CB-CD2 4.44Å; L137-L143 HydrophobicContact CD1-CD2 3.6Å; L137-L143 HydrophobicContact CD1-CG 3.99Å
138C67.1Low65.7Low42 Ų42106.9 Ų106.928%0.28458%0.579SS.*PPolyproline II helixtrans-73.2160.9172.9-70.50000111.2H140 G141 S142 V144C138-H140 PolarHBondContact O-N 3.34Å; C138-G141 PolarHBondContact O-N 3.1Å; C138-S142 PolarHBondContact N-O 3.12Å; C138-V144 WeakPolarHBondContact SG-CG2 3.28Å
139S72.1Confident67.9Low116 Ų116103.6 Ų103.681%0.81156%0.558SS**THydrogen-bonded Turntrans-55.9-24.2176.748.10000114.1G141S139-G141 VanDerWaalsContact C-N 3.33Å
140H76.6Confident69.5Low170 Ų17098.2 Ų98.279%0.78754%0.538SS*.THydrogen-bonded Turntrans-89.88.7176.3-56.9-72.8000113.7C138 S142C138-H140 PolarHBondContact O-N 3.34Å; H140-S142 VanDerWaalsContact C-N 3.32Å; H140-S142 PolarHBondContact O-N 3.26Å
141G67.6Low71.5Confident50 Ų5097.6 Ų97.652%0.51552%0.524SS..SBendtrans82.9-0.5178.500000115.1C138 S139C138-G141 PolarHBondContact O-N 3.1Å; S139-G141 VanDerWaalsContact C-N 3.33Å
142S75Confident73Confident71 Ų7194.3 Ų94.350%0.49751%0.51SS..  trans-78.7140.4177.5-510000111.9C138 H140C138-S142 PolarHBondContact N-O 3.12Å; H140-S142 VanDerWaalsContact C-N 3.32Å; H140-S142 PolarHBondContact O-N 3.26Å
143L73.9Confident74.1Confident125 Ų12593.3 Ų93.365%0.65450%0.496SS*.EExtended strand (participates in β ladder)trans-87123.8173.2-79.1175.2000109.9V135 L136 L137V135-L143 HydrophobicContact CB-CD2 4.4Å; V135-L143 HydrophobicContact CG1-CB 3.53Å; V135-L143 HydrophobicContact CG1-CD1 4.47Å; V135-L143 HydrophobicContact CG1-CD2 3.56Å; V135-L143 HydrophobicContact CG1-CG 4.01Å; L136-L143 CarbonylContact O-C 3.55Å; L136-L143 WeakPolarHBondContact O-CA 3.42Å; L137-L143 HydrophobicContact CB-CD2 4.44Å; L137-L143 HydrophobicContact CD1-CD2 3.6Å; L137-L143 HydrophobicContact CD1-CG 3.99Å
144V72.4Confident75Confident40 Ų4086.8 Ų86.824%0.24248%0.475CS..EExtended strand (participates in β ladder)trans-122.5130179.8179.40000109.2V135 L136 C138 V146 D148 F149V135-V144 CarbonylContact C-O 3.54Å; V135-V144 WeakPolarHBondContact CA-O 3.38Å; L136-V144 PolarHBondContact N-O 3.1Å; L136-V144 PolarHBondContact O-N 2.8Å; C138-V144 WeakPolarHBondContact SG-CG2 3.28Å; V144-V146 PolarHBondContact O-N 3.33Å; V144-D148 HydrophobicContact CG1-CB 4.08Å; V144-F149 HydrophobicContact CG1-CB 4.13Å
145S80Confident75.4Confident38 Ų3884.8 Ų84.827%0.26647%0.474SS..EExtended strand (participates in β ladder)trans-57.4136.7173.3175.50000110.3H147 D148 F149S145-H147 PolarHBondContact O-N 3.28Å; S145-H147 VanDerWaalsContact O-N 3.11Å; S145-H147 PolarHBondContact OG-N 3.41Å; S145-D148 WeakPolarHBondContact CB-OD2 3.47Å; S145-D148 PolarHBondContact O-N 3.08Å; S145-F149 PolarHBondContact O-N 2.86Å
146V77.9Confident75.3Confident34 Ų3487.3 Ų87.321%0.20648%0.479CS..Hα-helixtrans-51.5-37.7173.9167.40000110.7E134 L136 V144 D148 F149 I150E134-V146 HydrophobicContact CB-CB 4.19Å; E134-V146 HydrophobicContact CB-CG2 3.49Å; E134-V146 VanDerWaalsContact CB-CG2 3.49Å; E134-V146 WeakPolarHBondContact O-CG2 3.21Å; E134-V146 PolarHBondContact O-N 2.8Å; L136-V146 HydrophobicContact CD1-CG2 4.03Å; L136-V146 HydrophobicContact CD2-CG2 4.03Å; L136-V146 HydrophobicContact CG-CG2 3.68Å; V144-V146 PolarHBondContact O-N 3.33Å; V146-D148 PolarHBondContact O-N 3.33Å; V146-F149 PolarHBondContact O-N 3.38Å; V146-I150 HydrophobicContact CG1-CD1 3.7Å; V146-I150 HydrophobicContact CG1-CG1 4.35Å; V146-I150 WeakPolarHBondContact O-CB 3.2Å; V146-I150 VanDerWaalsContact O-CG1 3.23Å; V146-I150 WeakPolarHBondContact O-CG1 3.44Å; V146-I150 PolarHBondContact O-N 2.91Å
147H78.5Confident74.7Confident108 Ų10889.9 Ų89.950%0.549%0.489SS..Hα-helixtrans-62.3-41.7177179.2-94.9000112.7S145 I150 K151S145-H147 PolarHBondContact O-N 3.28Å; S145-H147 VanDerWaalsContact O-N 3.11Å; S145-H147 PolarHBondContact OG-N 3.41Å; H147-I150 PolarHBondContact O-N 3.5Å; H147-K151 WeakPolarHBondContact CE1-CE 3.27Å; H147-K151 PolarHBondContact O-N 2.94Å
148D80.5Confident73.8Confident83 Ų8389.8 Ų89.844%0.44449%0.494SS..Hα-helixtrans-74.6-34.9179.7-62.8-21.7000111.4V144 S145 V146 K151 F152V144-D148 HydrophobicContact CG1-CB 4.08Å; S145-D148 WeakPolarHBondContact CB-OD2 3.47Å; S145-D148 PolarHBondContact O-N 3.08Å; V146-D148 PolarHBondContact O-N 3.33Å; D148-K151 PolarHBondContact O-N 3.26Å; D148-F152 WeakPolarHBondContact O-CB 3.47Å; D148-F152 PolarHBondContact O-N 3.14Å
149F79.3Confident73Confident79 Ų7991.3 Ų91.335%0.34650%0.504SS..Hα-helixtrans-63.5-43.4172.7-175.9-110.8000111.8L136 V144 S145 V146 F152 L153L136-F149 HydrophobicContact CD1-CB 3.81Å; L136-F149 HydrophobicContact CD1-CD1 3.46Å; L136-F149 VanDerWaalsContact CD1-CD1 3.46Å; L136-F149 HydrophobicContact CD1-CE1 4.15Å; L136-F149 HydrophobicContact CD1-CG 3.67Å; V144-F149 HydrophobicContact CG1-CB 4.13Å; S145-F149 PolarHBondContact O-N 2.86Å; V146-F149 PolarHBondContact O-N 3.38Å; F149-F152 PolarHBondContact O-N 3.29Å; F149-L153 HydrophobicContact CD1-CD1 4.03Å; F149-L153 HydrophobicContact CE1-CD1 3.54Å; F149-L153 HydrophobicContact CE1-CG 4.23Å; F149-L153 HydrophobicContact CZ-CD1 3.88Å; F149-L153 HydrophobicContact CZ-CD2 4.29Å; F149-L153 HydrophobicContact CZ-CG 4.19Å; F149-L153 WeakPolarHBondContact O-CG 3.35Å; F149-L153 PolarHBondContact O-N 3.34Å
150I79.7Confident71.8Confident90 Ų9091.2 Ų91.246%0.46250%0.504SS..Hα-helixtrans-63.1-44.6175.1-68.8167.2000110.6V146 H147 F152 L153 C154V146-I150 HydrophobicContact CG1-CD1 3.7Å; V146-I150 HydrophobicContact CG1-CG1 4.35Å; V146-I150 WeakPolarHBondContact O-CB 3.2Å; V146-I150 VanDerWaalsContact O-CG1 3.23Å; V146-I150 WeakPolarHBondContact O-CG1 3.44Å; V146-I150 PolarHBondContact O-N 2.91Å; H147-I150 PolarHBondContact O-N 3.5Å; I150-F152 VanDerWaalsContact C-N 3.34Å; I150-F152 PolarHBondContact O-N 2.91Å; I150-L153 PolarHBondContact O-N 3.27Å; I150-C154 PolarHBondContact O-N 3.34Å; I150-C154 PolarHBondContact O-SG 3.23Å
151K80.3Confident70.1Confident121 Ų12188.5 Ų88.553%0.52650%0.504SS..Hα-helixtrans-57.3-46.4174.3-83.3-176171-176.90111.8H147 D148 L153 C154 S155H147-K151 WeakPolarHBondContact CE1-CE 3.27Å; H147-K151 PolarHBondContact O-N 2.94Å; D148-K151 PolarHBondContact O-N 3.26Å; K151-L153 PolarHBondContact O-N 2.8Å; K151-C154 PolarHBondContact O-N 2.87Å; K151-S155 PolarHBondContact O-N 2.97Å; K151-S155 PolarHBondContact O-OG 3.14Å
152F78.5Confident68.8Low116 Ų11691.5 Ų91.551%0.50952%0.516SS..Hα-helixtrans-58.4-46.2178.3174.1-97.2000112.2D148 F149 I150 C154 S155 K156D148-F152 WeakPolarHBondContact O-CB 3.47Å; D148-F152 PolarHBondContact O-N 3.14Å; F149-F152 PolarHBondContact O-N 3.29Å; I150-F152 VanDerWaalsContact C-N 3.34Å; I150-F152 PolarHBondContact O-N 2.91Å; F152-C154 VanDerWaalsContact C-N 3.34Å; F152-C154 PolarHBondContact O-N 3.18Å; F152-S155 PolarHBondContact O-N 2.87Å; F152-K156 HydrophobicContact CE1-CG 4.33Å; F152-K156 HydrophobicContact CE2-CG 4.33Å; F152-K156 HydrophobicContact CZ-CG 4.07Å; F152-K156 PolarHBondContact O-N 3.03Å
153L77.1Confident66.9Low84 Ų8496.8 Ų96.844%0.4453%0.533SS..Hα-helixtrans-61.9-41177.1-69.9178.2000112F149 I150 K151 S155 K156F149-L153 HydrophobicContact CD1-CD1 4.03Å; F149-L153 HydrophobicContact CE1-CD1 3.54Å; F149-L153 HydrophobicContact CE1-CG 4.23Å; F149-L153 HydrophobicContact CZ-CD1 3.88Å; F149-L153 HydrophobicContact CZ-CD2 4.29Å; F149-L153 HydrophobicContact CZ-CG 4.19Å; F149-L153 WeakPolarHBondContact O-CG 3.35Å; F149-L153 PolarHBondContact O-N 3.34Å; I150-L153 PolarHBondContact O-N 3.27Å; K151-L153 PolarHBondContact O-N 2.8Å; L153-S155 VanDerWaalsContact C-N 3.34Å; L153-S155 PolarHBondContact O-N 2.75Å; L153-K156 PolarHBondContact O-N 2.67Å
154C78.4Confident65.3Low64 Ų6498.8 Ų98.843%0.43254%0.542SS..Hα-helixtrans-64.5-35.9177-71.50000113I150 K151 F152I150-C154 PolarHBondContact O-N 3.34Å; I150-C154 PolarHBondContact O-SG 3.23Å; K151-C154 PolarHBondContact O-N 2.87Å; F152-C154 VanDerWaalsContact C-N 3.34Å; F152-C154 PolarHBondContact O-N 3.18Å
155S77.1Confident63.8Low78 Ų78112 Ų11255%0.54559%0.588SS.*Hα-helixtrans-73.7-24-180-60.20000114.1K151 F152 L153 T158 S159K151-S155 PolarHBondContact O-N 2.97Å; K151-S155 PolarHBondContact O-OG 3.14Å; F152-S155 PolarHBondContact O-N 2.87Å; L153-S155 VanDerWaalsContact C-N 3.34Å; L153-S155 PolarHBondContact O-N 2.75Å; S155-T158 PolarHBondContact O-OG1 2.84Å; S155-S159 PolarHBondContact O-OG 3.37Å
156K69.3Low63Low133 Ų133115.7 Ų115.758%0.57860%0.604SS**Hα-helixtrans-81.5-26.2-179.2-78.4-72.8-176.91770113.6F152 L153 T158 S159F152-K156 HydrophobicContact CE1-CG 4.33Å; F152-K156 HydrophobicContact CE2-CG 4.33Å; F152-K156 HydrophobicContact CZ-CG 4.07Å; F152-K156 PolarHBondContact O-N 3.03Å; L153-K156 PolarHBondContact O-N 2.67Å; K156-T158 VanDerWaalsContact C-N 3.32Å; K156-S159 PolarHBondContact O-N 3Å
157E56.4Low62.2Low120 Ų120119.9 Ų119.956%0.56163%0.625SS**Hα-helixtrans-76.9-16.4178.5-76.5-178.4-178.400113.5K77 S159K77-E157 WeakPolarHBondContact CE-OE2 3.24Å; K77-E157 IonicContact NZ-OE1 3.74Å; K77-E157 PolarHBondContact NZ-OE1 2.65Å; K77-E157 IonicContact NZ-OE2 3.92Å; K77-E157 PolarHBondContact NZ-OE2 2.76Å; E157-S159 VanDerWaalsContact C-N 3.28Å
158T52.4Low61.3Low124 Ų124120.6 Ų120.676%0.76163%0.632SS**THydrogen-bonded Turntrans-84.6-1.1173.257.20000113.2S155 K156S155-T158 PolarHBondContact O-OG1 2.84Å; K156-T158 VanDerWaalsContact C-N 3.32Å
159S50.7Low60.2Low73 Ų73122.8 Ų122.851%0.5164%0.643SS.*THydrogen-bonded Turntrans-104.61.7-178.2-19.10000114.8S155 K156 E157 S161S155-S159 PolarHBondContact O-OG 3.37Å; K156-S159 PolarHBondContact O-N 3Å; E157-S159 VanDerWaalsContact C-N 3.28Å; S159-S161 PolarHBondContact O-N 3.18Å; S159-S161 VanDerWaalsContact O-N 3.07Å
160S47.1Very low59Low114 Ų114125.6 Ų125.680%0.79766%0.662SS**  trans-86.745.9-178.683.30000113.9
161S40.8Very low57.6Low114 Ų114127.9 Ų127.980%0.79768%0.675SS**  trans-117.732.7164.8-171.80000111.4S159S159-S161 PolarHBondContact O-N 3.18Å; S159-S161 VanDerWaalsContact O-N 3.07Å
162C40.4Very low55.9Low113 Ų113128.4 Ų128.476%0.76469%0.686SS**  trans-117.2111.1169.5-69.10000109.3
163E35.2Very low54.2Low182 Ų182129.4 Ų129.485%0.8570%0.699SS**  trans-38.4130.1161.2-57.3179.514800111.9
164I39.5Very low52.3Low166 Ų166133.2 Ų133.285%0.85172%0.721SS**  trans-135.9131.1143.4-58.3-178.8000105.1
165W40.4Very low49.9Very low317 Ų317139.5 Ų139.5100%1.20175%0.747SS**  trans-48.30-172.3-70.824.1000115.5

Retrieved 165 of 165 residues in 94.9 ms (Link to these results)

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