A0A077ZHY9_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZHY9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 135 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
1M37Very low52.8Low243 Ų243131.8 Ų131.8100%1.19771%0.714SS**  0113.40-79152.475.500107.7
2S50.5Low53.2Low118 Ų118133.4 Ų133.483%0.82571%0.709SS**  trans45.492.9163.7-700000117.8G4S2-G4 PolarHBondContact O-N 3.3Å
3D50.6Low53.5Low177 Ų177127.9 Ų127.995%0.94769%0.688SS**  trans-63.359.9145.4-62.3-59000109.7K5D3-K5 PolarHBondContact O-N 2.68Å
4G50.2Low53.7Low55 Ų55124.8 Ų124.857%0.56768%0.681SS**  trans-85.323.5177.200000111.9S2 T6S2-G4 PolarHBondContact O-N 3.3Å; G4-T6 PolarHBondContact O-N 3.19Å
5K48Very low53.6Low184 Ų184127.8 Ų127.880%0.869%0.685SS**  trans-77.572.8171.9-74.6-177.5179175.30109D3D3-K5 PolarHBondContact O-N 2.68Å
6T58.8Low53.7Low69 Ų69125.7 Ų125.742%0.42368%0.683SS.*  trans3998.5145.846.30000116.8G4 M8 Q9G4-T6 PolarHBondContact O-N 3.19Å; T6-M8 PolarHBondContact O-N 3.06Å; T6-Q9 WeakPolarHBondContact O-CB 3.32Å; T6-Q9 PolarHBondContact O-N 3.2Å
7L51.9Low53.2Low135 Ų135125.8 Ų125.871%0.70768%0.683SS**Hα-helixtrans-41.4-31.9158.1-163.480.9000112.6Q9 T10 M11L7-Q9 PolarHBondContact O-N 2.64Å; L7-T10 PolarHBondContact O-N 2.94Å; L7-M11 WeakPolarHBondContact O-CG 3.45Å; L7-M11 PolarHBondContact O-N 3.5Å
8M57.5Low52.7Low135 Ų135128.5 Ų128.567%0.66569%0.688SS**Hα-helixtrans-65.2-32.4175.2-68-166.580.300114.3T6 K12T6-M8 PolarHBondContact O-N 3.06Å; M8-K12 WeakPolarHBondContact O-CB 3.45Å; M8-K12 WeakPolarHBondContact O-CG 3.44Å; M8-K12 PolarHBondContact O-N 3.13Å
9Q56.6Low52.3Low129 Ų129126.2 Ų126.260%0.60368%0.681SS**Hα-helixtrans-70.6-39.9172.9-88.9-176.2-16.400111.1T6 L7 K12 S13T6-Q9 WeakPolarHBondContact O-CB 3.32Å; T6-Q9 PolarHBondContact O-N 3.2Å; L7-Q9 PolarHBondContact O-N 2.64Å; Q9-K12 PolarHBondContact O-N 3.27Å; Q9-S13 WeakPolarHBondContact O-CB 3.19Å; Q9-S13 PolarHBondContact O-N 2.93Å
10T63.9Low52.1Low90 Ų90126.3 Ų126.355%0.55269%0.688SS**Hα-helixtrans-63.7-43.5175.1-53.20000111.6L7 S13 S14L7-T10 PolarHBondContact O-N 2.94Å; T10-S13 PolarHBondContact O-N 3.3Å; T10-S14 PolarHBondContact O-N 3.11Å; T10-S14 VanDerWaalsContact O-N 3.07Å
11M55.9Low51.8Low115 Ų115128.6 Ų128.657%0.56769%0.694SS**Hα-helixtrans-62.5-49.4175.8-74.4-178.1145.200110.9L7 S13 S14 F15L7-M11 WeakPolarHBondContact O-CG 3.45Å; L7-M11 PolarHBondContact O-N 3.5Å; M11-S13 VanDerWaalsContact C-N 3.34Å; M11-S13 PolarHBondContact O-N 3.28Å; M11-S14 PolarHBondContact O-N 3.33Å; M11-F15 WeakPolarHBondContact O-CD2 3.3Å; M11-F15 PolarHBondContact O-N 3.39Å
12K57.1Low52Low151 Ų151125.3 Ų125.366%0.65768%0.675SS**Hα-helixtrans-61.8-38.4177.5-80.2-178.8163.9-176.40113.4M8 Q9 F15 S16M8-K12 WeakPolarHBondContact O-CB 3.45Å; M8-K12 WeakPolarHBondContact O-CG 3.44Å; M8-K12 PolarHBondContact O-N 3.13Å; Q9-K12 PolarHBondContact O-N 3.27Å; K12-F15 PolarHBondContact O-N 3.06Å; K12-S16 PolarHBondContact O-N 3.27Å
13S57.5Low51.5Low62 Ų62124.2 Ų124.243%0.43467%0.674SS.*Hα-helixtrans-63.8-39.1177.3169.40000112.5Q9 T10 M11 F15 S16 N17Q9-S13 WeakPolarHBondContact O-CB 3.19Å; Q9-S13 PolarHBondContact O-N 2.93Å; T10-S13 PolarHBondContact O-N 3.3Å; M11-S13 VanDerWaalsContact C-N 3.34Å; M11-S13 PolarHBondContact O-N 3.28Å; S13-F15 VanDerWaalsContact C-N 3.32Å; S13-F15 PolarHBondContact O-N 3.37Å; S13-S16 PolarHBondContact O-N 2.98Å; S13-S16 PolarHBondContact O-OG 3.27Å; S13-N17 PolarHBondContact O-N 3.06Å
14S57Low50.9Low84 Ų84122.5 Ų122.559%0.58766%0.664SS**Hα-helixtrans-66.5-34.4173.7-750000112.3T10 M11T10-S14 PolarHBondContact O-N 3.11Å; T10-S14 VanDerWaalsContact O-N 3.07Å; M11-S14 PolarHBondContact O-N 3.33Å
15F51.8Low50.4Low170 Ų170125.6 Ų125.675%0.74668%0.676SS**Hα-helixtrans-74.9-32.4177.5-81.2-73.8000113.4M11 K12 S13 N17M11-F15 WeakPolarHBondContact O-CD2 3.3Å; M11-F15 PolarHBondContact O-N 3.39Å; K12-F15 PolarHBondContact O-N 3.06Å; S13-F15 VanDerWaalsContact C-N 3.32Å; S13-F15 PolarHBondContact O-N 3.37Å; F15-N17 VanDerWaalsContact C-N 3.33Å
16S55.2Low50Low94 Ų94124.7 Ų124.766%0.65768%0.675SS**Hα-helixtrans-77.9-16.6179.364.80000114.1K12 S13 F18K12-S16 PolarHBondContact O-N 3.27Å; S13-S16 PolarHBondContact O-N 2.98Å; S13-S16 PolarHBondContact O-OG 3.27Å; S16-F18 PolarHBondContact O-N 2.93Å
17N44.8Very low49.3Very low127 Ų127126.3 Ų126.368%0.67969%0.688SS**THydrogen-bonded Turntrans-82.611.6176.2-102.2-56.8000113.8S13 F15 P19S13-N17 PolarHBondContact O-N 3.06Å; F15-N17 VanDerWaalsContact C-N 3.33Å; N17-P19 WeakPolarHBondContact O-CD 3.43Å
18F45.1Very low49.2Very low175 Ų175125.4 Ų125.477%0.76869%0.691SS**  trans-83.9105.2173.3-130.8-98.8000109.1S16S16-F18 PolarHBondContact O-N 2.93Å
19P45Very low48.8Very low85 Ų85124.6 Ų124.655%0.55270%0.696SS**  trans-63.5145.7178.826.9-33.6000109.7N17 H21N17-P19 WeakPolarHBondContact O-CD 3.43Å; P19-H21 VanDerWaalsContact C-N 3.25Å; P19-H21 PolarHBondContact O-N 3.46Å
20P48.2Very low48.2Very low127 Ų127130.3 Ų130.383%0.82571%0.712SS**  trans-70.586.4179.429.4-32.7000108.6Q22P20-Q22 PolarHBondContact O-N 2.84Å
21H44.5Very low47.4Very low175 Ų175130 Ų13081%0.8171%0.713SS**  trans-69.9105.7173.4-127.5-79.8000107P19 A23P19-H21 VanDerWaalsContact C-N 3.25Å; P19-H21 PolarHBondContact O-N 3.46Å; H21-A23 PolarHBondContact O-N 3.5Å
22Q41.2Very low46.8Very low174 Ų174129.9 Ų129.981%0.81372%0.721SS**  trans-48130.9176-62.4-161.645.900109.3P20 N24P20-Q22 PolarHBondContact O-N 2.84Å; Q22-N24 PolarHBondContact O-N 2.83Å
23A41.8Very low46.3Very low96 Ų96129.9 Ų129.979%0.79373%0.727SS**  trans-62.974179.800000110.6H21H21-A23 PolarHBondContact O-N 3.5Å
24N36.6Very low45.9Very low140 Ų140135.3 Ų135.375%0.74975%0.745SS**  trans-87.6106.7160.7-165.6-32.8000105.8Q22 H26Q22-N24 PolarHBondContact O-N 2.83Å; N24-H26 PolarHBondContact O-N 3.46Å
25C40Very low45.4Very low121 Ų121137 Ų13782%0.81874%0.743SS**  trans-65.958.6-177.2-47.70000111.4
26H39.8Very low45.4Very low165 Ų165135.7 Ų135.776%0.76473%0.733SS**  trans-98.9100.9167.2-156.975.6000106.5N24N24-H26 PolarHBondContact O-N 3.46Å
27S43.2Very low45.7Very low102 Ų102138.1 Ų138.171%0.71374%0.735SS**  trans-45.5125.6-179.3-58.80000110.2
28P50Low46.3Very low116 Ų116138.4 Ų138.475%0.75373%0.73SS**  trans-60141.2-175.122.2-31000110.1R30P28-R30 PolarHBondContact O-N 2.82Å
29P49Very low47Very low119 Ų119132.7 Ų132.777%0.77371%0.71SS**  trans-57.8135.5-177.322.2-31.6000110.3S31P29-S31 PolarHBondContact O-N 3.2Å
30R43.9Very low48Very low248 Ų248130.7 Ų130.794%0.93670%0.7SS**  trans-41.2110.2177.5-79.5-179.2-179.6-134.10.4109.9P28 P32P28-R30 PolarHBondContact O-N 2.82Å; R30-P32 WeakPolarHBondContact O-CD 3.17Å
31S48.6Very low49.2Very low84 Ų84132.2 Ų132.259%0.58770%0.696SS**  trans-64.1125.4178.943.70000110.2P29P29-S31 PolarHBondContact O-N 3.2Å
32P43.6Very low50.6Low113 Ų113130 Ų13073%0.73469%0.691SS**  trans-78.6138.3178.2-13.529.6000112.8R30R30-P32 WeakPolarHBondContact O-CD 3.17Å
33I46.8Very low51.8Low150 Ų150124.5 Ų124.577%0.76967%0.666SS**  trans69.9104.1155.4-39.9176.3000115.8H35I33-H35 PolarHBondContact O-N 3.17Å
34H48Very low53.1Low177 Ų177126.4 Ų126.482%0.81966%0.659SS**  trans-55.989.2173.9-54.6-94.4000112.3W36H34-W36 PolarHBondContact O-N 3.44Å
35H47.6Very low54.8Low119 Ų119124 Ų12455%0.55165%0.645SS**  trans-76.287.9154.967.5100.8000106.5I33 E37I33-H35 PolarHBondContact O-N 3.17Å; H35-E37 IonicContact CE1-OE1 2.9Å; H35-E37 IonicContact CG-OE1 3.3Å; H35-E37 IonicContact ND1-OE1 3.21Å; H35-E37 PolarHBondContact ND1-OE1 2.92Å; H35-E37 PolarHBondContact O-N 3.42Å
36W51.4Low56.1Low142 Ų142124 Ų12454%0.53863%0.632SS.*  trans-69.7125.2171.155.8-92.4000106.4H34 T39H34-W36 PolarHBondContact O-N 3.44Å; W36-T39 HydrophobicContact CB-CG2 4.42Å; W36-T39 HydrophobicContact CD2-CG2 3.17Å; W36-T39 HydrophobicContact CE3-CG2 3.04Å; W36-T39 HydrophobicContact CG-CG2 3.83Å; W36-T39 HydrophobicContact CH2-CG2 4.01Å; W36-T39 WeakPolarHBondContact CH2-OG1 3.38Å; W36-T39 HydrophobicContact CZ2-CG2 4.05Å; W36-T39 WeakPolarHBondContact CZ2-OG1 3.24Å; W36-T39 HydrophobicContact CZ3-CG2 3.54Å; W36-T39 WeakPolarHBondContact CZ3-OG1 3.23Å
37E60.6Low57.3Low146 Ų146116.9 Ų116.968%0.68260%0.601SS**SBendtrans-90.5-7.2-178.4-63.5-63.7136.600111.8H35H35-E37 IonicContact CE1-OE1 2.9Å; H35-E37 IonicContact CG-OE1 3.3Å; H35-E37 IonicContact ND1-OE1 3.21Å; H35-E37 PolarHBondContact ND1-OE1 2.92Å; H35-E37 PolarHBondContact O-N 3.42Å
38F58Low58.4Low132 Ų132121.7 Ų121.758%0.57960%0.603SS**  trans-136.977.3-175.5-151.5-84.2000113.5A40 L43F38-A40 HydrophobicContact CE1-CB 4.5Å; F38-L43 HydrophobicContact CD1-CB 4.43Å; F38-L43 HydrophobicContact CD1-CD2 3.44Å; F38-L43 VanDerWaalsContact CD1-CD2 3.44Å; F38-L43 HydrophobicContact CD1-CG 4.41Å; F38-L43 HydrophobicContact CE1-CB 3.69Å; F38-L43 HydrophobicContact CE1-CD1 4.09Å; F38-L43 HydrophobicContact CE1-CD2 3.22Å; F38-L43 HydrophobicContact CE1-CG 3.78Å; F38-L43 HydrophobicContact CZ-CD2 4.45Å
39T59.1Low59.2Low56 Ų56121.5 Ų121.534%0.34460%0.596SS.*  trans-125.967.8157.895.20000108.2W36 E41W36-T39 HydrophobicContact CB-CG2 4.42Å; W36-T39 HydrophobicContact CD2-CG2 3.17Å; W36-T39 HydrophobicContact CE3-CG2 3.04Å; W36-T39 HydrophobicContact CG-CG2 3.83Å; W36-T39 HydrophobicContact CH2-CG2 4.01Å; W36-T39 WeakPolarHBondContact CH2-OG1 3.38Å; W36-T39 HydrophobicContact CZ2-CG2 4.05Å; W36-T39 WeakPolarHBondContact CZ2-OG1 3.24Å; W36-T39 HydrophobicContact CZ3-CG2 3.54Å; W36-T39 WeakPolarHBondContact CZ3-OG1 3.23Å; T39-E41 PolarHBondContact O-N 3.41Å
40A66.8Low60Low43 Ų43120.3 Ų120.336%0.35558%0.583SS.*  trans-63.1121.8152.700000106.7F38 D42 L43 Q44F38-A40 HydrophobicContact CE1-CB 4.5Å; A40-D42 PolarHBondContact O-N 2.91Å; A40-L43 HydrophobicContact CB-CB 4.38Å; A40-L43 PolarHBondContact O-N 3.24Å; A40-Q44 PolarHBondContact O-N 2.85Å
41E74.1Confident61Low159 Ų159116.3 Ų116.374%0.74358%0.579SS**Hα-helixtrans-52.5-38175.2-178.4176.3-153.200110.7T39 L43 Q44 L45T39-E41 PolarHBondContact O-N 3.41Å; E41-L43 VanDerWaalsContact C-N 3.3Å; E41-L43 PolarHBondContact O-N 3.48Å; E41-Q44 PolarHBondContact O-N 3.49Å; E41-Q44 VanDerWaalsContact O-N 3.09Å; E41-L45 WeakPolarHBondContact O-CB 3.49Å; E41-L45 PolarHBondContact O-N 3.25Å
42D73.4Confident61.8Low129 Ų129114.5 Ų114.569%0.6957%0.57SS**Hα-helixtrans-57.7-38.5175.4-62.1-54.6000113.2A40 F46A40-D42 PolarHBondContact O-N 2.91Å; D42-F46 VanDerWaalsContact O-CB 3.27Å; D42-F46 WeakPolarHBondContact O-CB 3.44Å; D42-F46 PolarHBondContact O-N 3.37Å
43L65.7Low62.9Low58 Ų58118.3 Ų118.330%0.30457%0.574SS.*Hα-helixtrans-69.6-43.8175.7-174.181000110.2F38 A40 E41 L45 F46 C47F38-L43 HydrophobicContact CD1-CB 4.43Å; F38-L43 HydrophobicContact CD1-CD2 3.44Å; F38-L43 VanDerWaalsContact CD1-CD2 3.44Å; F38-L43 HydrophobicContact CD1-CG 4.41Å; F38-L43 HydrophobicContact CE1-CB 3.69Å; F38-L43 HydrophobicContact CE1-CD1 4.09Å; F38-L43 HydrophobicContact CE1-CD2 3.22Å; F38-L43 HydrophobicContact CE1-CG 3.78Å; F38-L43 HydrophobicContact CZ-CD2 4.45Å; A40-L43 HydrophobicContact CB-CB 4.38Å; A40-L43 PolarHBondContact O-N 3.24Å; E41-L43 VanDerWaalsContact C-N 3.3Å; E41-L43 PolarHBondContact O-N 3.48Å; L43-L45 VanDerWaalsContact C-N 3.27Å; L43-L45 PolarHBondContact O-N 2.97Å; L43-F46 PolarHBondContact O-N 3.31Å; L43-C47 WeakPolarHBondContact O-CB 3.22Å; L43-C47 PolarHBondContact O-N 3.5Å; L43-C47 PolarHBondContact O-SG 2.93Å
44Q70.2Confident63.6Low135 Ų135114.1 Ų114.163%0.63156%0.559SS**Hα-helixtrans-61.3-41.5179.6-170178.233.700110.9A40 E41 C47 R48A40-Q44 PolarHBondContact O-N 2.85Å; E41-Q44 PolarHBondContact O-N 3.49Å; E41-Q44 VanDerWaalsContact O-N 3.09Å; Q44-C47 PolarHBondContact O-N 2.85Å; Q44-R48 VanDerWaalsContact O-CB 3.3Å; Q44-R48 WeakPolarHBondContact O-CB 3.22Å; Q44-R48 PolarHBondContact O-N 3.38Å
45L72.4Confident64.2Low90 Ų90109.9 Ų109.947%0.47155%0.554SS.*Hα-helixtrans-64.2-44.2174.5-175.560.7000111.5E41 L43 R48 N49E41-L45 WeakPolarHBondContact O-CB 3.49Å; E41-L45 PolarHBondContact O-N 3.25Å; L43-L45 VanDerWaalsContact C-N 3.27Å; L43-L45 PolarHBondContact O-N 2.97Å; L45-R48 PolarHBondContact O-N 2.92Å; L45-N49 WeakPolarHBondContact O-CB 3.49Å; L45-N49 PolarHBondContact O-N 3.22Å
46F66.2Low64.8Low120 Ų120110.7 Ų110.753%0.52656%0.558SS.*Hα-helixtrans-60.1-47.2175.6179.7-92.5000111.9D42 L43 R48 N49 N50D42-F46 VanDerWaalsContact O-CB 3.27Å; D42-F46 WeakPolarHBondContact O-CB 3.44Å; D42-F46 PolarHBondContact O-N 3.37Å; L43-F46 PolarHBondContact O-N 3.31Å; F46-R48 VanDerWaalsContact C-N 3.34Å; F46-R48 PolarHBondContact O-N 2.99Å; F46-N49 PolarHBondContact O-N 3.05Å; F46-N50 VanDerWaalsContact CD2-ND2 3.3Å; F46-N50 WeakPolarHBondContact CD2-ND2 3.28Å; F46-N50 WeakPolarHBondContact CE2-ND2 3.5Å; F46-N50 WeakPolarHBondContact CZ-ND2 3.31Å; F46-N50 WeakPolarHBondContact O-CB 3.21Å; F46-N50 PolarHBondContact O-N 3.41Å; F46-N50 PolarHBondContact O-ND2 2.97Å
47C65.5Low65.1Low17 Ų17107.5 Ų107.512%0.11555%0.554CS.*Hα-helixtrans-60-44.1176.2-79.50000111.3L43 Q44 N50 L51 A52L43-C47 WeakPolarHBondContact O-CB 3.22Å; L43-C47 PolarHBondContact O-N 3.5Å; L43-C47 PolarHBondContact O-SG 2.93Å; Q44-C47 PolarHBondContact O-N 2.85Å; C47-N50 PolarHBondContact O-N 3.01Å; C47-L51 CarbonylContact O-C 3.59Å; C47-L51 PolarHBondContact O-N 3.45Å; C47-L51 VanDerWaalsContact O-N 3.1Å; C47-A52 CarbonylContact C-O 3.59Å; C47-A52 VanDerWaalsContact CB-O 3.23Å; C47-A52 WeakPolarHBondContact CB-O 3.45Å; C47-A52 PolarHBondContact O-N 3.01Å
48R65.4Low65.1Low202 Ų202103.1 Ų103.176%0.76254%0.54SS*.Hα-helixtrans-62.4-45176.4-173.7177.2-177.8167.20.4112.1Q44 L45 F46 L51Q44-R48 VanDerWaalsContact O-CB 3.3Å; Q44-R48 WeakPolarHBondContact O-CB 3.22Å; Q44-R48 PolarHBondContact O-N 3.38Å; L45-R48 PolarHBondContact O-N 2.92Å; F46-R48 VanDerWaalsContact C-N 3.34Å; F46-R48 PolarHBondContact O-N 2.99Å; R48-L51 PolarHBondContact O-N 3.49Å
49N66.6Low65.1Low113 Ų113100.9 Ų100.960%0.60454%0.539SS*.Hα-helixtrans-71.3-32.1-178.1-70.3-9.2000112.8L45 F46L45-N49 WeakPolarHBondContact O-CB 3.49Å; L45-N49 PolarHBondContact O-N 3.22Å; F46-N49 PolarHBondContact O-N 3.05Å
50N66.1Low64.9Low94 Ų94106.1 Ų106.150%0.50355%0.553SS.*THydrogen-bonded Turntrans-94.79.9178.6-67.7-87.7000113.1F46 C47 A52F46-N50 VanDerWaalsContact CD2-ND2 3.3Å; F46-N50 WeakPolarHBondContact CD2-ND2 3.28Å; F46-N50 WeakPolarHBondContact CE2-ND2 3.5Å; F46-N50 WeakPolarHBondContact CZ-ND2 3.31Å; F46-N50 WeakPolarHBondContact O-CB 3.21Å; F46-N50 PolarHBondContact O-N 3.41Å; F46-N50 PolarHBondContact O-ND2 2.97Å; C47-N50 PolarHBondContact O-N 3.01Å; N50-A52 PolarHBondContact O-N 3.2Å
51L64.3Low64.8Low163 Ų163110.9 Ų110.985%0.85356%0.563SS**THydrogen-bonded Turntrans50.327.8-174.7-57.3175.7000113.2C47 R48C47-L51 CarbonylContact O-C 3.59Å; C47-L51 PolarHBondContact O-N 3.45Å; C47-L51 VanDerWaalsContact O-N 3.1Å; R48-L51 PolarHBondContact O-N 3.49Å
52A67.3Low64.1Low47 Ų47107.9 Ų107.939%0.38856%0.557SS.*  trans-90.4127.4178.900000109.1C47 N50 S54C47-A52 CarbonylContact C-O 3.59Å; C47-A52 VanDerWaalsContact CB-O 3.23Å; C47-A52 WeakPolarHBondContact CB-O 3.45Å; C47-A52 PolarHBondContact O-N 3.01Å; N50-A52 PolarHBondContact O-N 3.2Å; A52-S54 PolarHBondContact O-N 2.85Å
53K64.9Low63.8Low192 Ų192109 Ų10984%0.83556%0.558SS**  trans-76.7120.3174.1-66.9175.8-177.3163.30108.6A55K53-A55 PolarHBondContact O-N 3.46Å; K53-A55 VanDerWaalsContact O-N 3.14Å
54S62Low63.6Low63 Ų63108.1 Ų108.144%0.44156%0.557SS.*  trans-71.9105.5170.7-174.20000108.8A52 Q56A52-S54 PolarHBondContact O-N 2.85Å; S54-Q56 PolarHBondContact O-N 3.45Å
55A61.2Low63.6Low87 Ų87104.8 Ų104.872%0.71955%0.549SS*.  trans-80.597.6172.100000108.4K53 V57K53-A55 PolarHBondContact O-N 3.46Å; K53-A55 VanDerWaalsContact O-N 3.14Å; A55-V57 PolarHBondContact O-N 3.35Å
56Q59.5Low63.6Low137 Ų137101.3 Ų101.364%0.6454%0.535SS*.  trans-74.3118.1173.4-67.3-171.8-32.300108.9S54S54-Q56 PolarHBondContact O-N 3.45Å
57V58.8Low63.8Low74 Ų74100.6 Ų100.645%0.44853%0.533SS..  trans-107.7131.5176.4-171.30000110A55 Y61 S64A55-V57 PolarHBondContact O-N 3.35Å; V57-Y61 HydrophobicContact CG1-CD2 4.21Å; V57-Y61 HydrophobicContact CG1-CG 4.45Å; V57-S64 WeakPolarHBondContact CB-OG 3.29Å; V57-S64 WeakPolarHBondContact CG1-OG 3.47Å; V57-S64 WeakPolarHBondContact CG2-OG 3.4Å
58S59.5Low64.3Low55 Ų55102.2 Ų102.239%0.38555%0.547SS..  trans-61.1142.5-178.2-177.80000110.6Y60 Y61S58-Y60 PolarHBondContact O-N 2.9Å; S58-Y61 PolarHBondContact O-N 3.31Å; S58-Y61 VanDerWaalsContact O-N 3.08Å
59P59Low64.8Low85 Ų8598.3 Ų98.355%0.55254%0.538SS*.THydrogen-bonded Turntrans-52.7-23.3-179.2-26.833.4000114.8Y61P59-Y61 PolarHBondContact O-N 3.37Å
60Y55Low65.4Low165 Ų165100.1 Ų100.165%0.64754%0.536SS*.THydrogen-bonded Turntrans-71.8-7.5-179.2-64.7-77.8000114.8S58 P62S58-Y60 PolarHBondContact O-N 2.9Å; Y60-P62 VanDerWaalsContact C-CD 3.43Å; Y60-P62 WeakPolarHBondContact O-CD 3.35Å
61Y62.9Low65.8Low143 Ų143101.3 Ų101.356%0.56154%0.54SS*.  trans-110.877.8179.2-59.2-78.2000110.8V57 S58 P59 Q63 S64V57-Y61 HydrophobicContact CG1-CD2 4.21Å; V57-Y61 HydrophobicContact CG1-CG 4.45Å; S58-Y61 PolarHBondContact O-N 3.31Å; S58-Y61 VanDerWaalsContact O-N 3.08Å; P59-Y61 PolarHBondContact O-N 3.37Å; Y61-Q63 PolarHBondContact O-N 3.41Å; Y61-Q63 VanDerWaalsContact O-N 3.09Å; Y61-S64 PolarHBondContact O-N 2.9Å
62P61.4Low66.6Low97 Ų9796.8 Ų96.863%0.6352%0.519SS*.Hα-helixtrans-58.7-26.9179.524.7-34.8000112.1Y60 S64 S65 G66Y60-P62 VanDerWaalsContact C-CD 3.43Å; Y60-P62 WeakPolarHBondContact O-CD 3.35Å; P62-S64 VanDerWaalsContact C-N 3.29Å; P62-S64 PolarHBondContact O-N 2.88Å; P62-S65 PolarHBondContact O-N 3.06Å; P62-G66 PolarHBondContact O-N 2.84Å
63Q66Low67.3Low151 Ų15198.6 Ų98.671%0.70652%0.52SS*.Hα-helixtrans-54.5-45.4172.1-69.4-178.6-40.500111.2Y61 S65 G66 E67Y61-Q63 PolarHBondContact O-N 3.41Å; Y61-Q63 VanDerWaalsContact O-N 3.09Å; Q63-S65 PolarHBondContact O-N 3.01Å; Q63-G66 CarbonylContact O-C 3.49Å; Q63-G66 PolarHBondContact O-N 2.64Å; Q63-E67 VanDerWaalsContact O-CG 3.26Å; Q63-E67 WeakPolarHBondContact O-CG 3.34Å; Q63-E67 PolarHBondContact O-N 3Å
64S62.1Low68.1Low40 Ų4093 Ų9328%0.2850%0.502SS..Hα-helixtrans-70.1-35.8-178-174.50000113.8V57 Y61 P62 G66 E67 A68V57-S64 WeakPolarHBondContact CB-OG 3.29Å; V57-S64 WeakPolarHBondContact CG1-OG 3.47Å; V57-S64 WeakPolarHBondContact CG2-OG 3.4Å; Y61-S64 PolarHBondContact O-N 2.9Å; P62-S64 VanDerWaalsContact C-N 3.29Å; P62-S64 PolarHBondContact O-N 2.88Å; S64-G66 VanDerWaalsContact C-N 3.34Å; S64-E67 PolarHBondContact O-N 3.33Å; S64-A68 PolarHBondContact O-N 2.95Å
65S69Low68.9Low66 Ų6691.6 Ų91.646%0.46249%0.49SS..Hα-helixtrans-64-46.5172.7-165.70000109.7P62 Q63 E67 A68 E69P62-S65 PolarHBondContact O-N 3.06Å; Q63-S65 PolarHBondContact O-N 3.01Å; S65-E67 VanDerWaalsContact C-N 3.3Å; S65-E67 PolarHBondContact O-N 3.03Å; S65-A68 PolarHBondContact O-N 3.11Å; S65-A68 VanDerWaalsContact O-N 3.16Å; S65-E69 WeakPolarHBondContact O-CG 3.32Å; S65-E69 PolarHBondContact O-N 3.14Å; S65-E69 PolarHBondContact OG-OE1 2.95Å
66G73.3Confident70Confident17 Ų1792.8 Ų92.818%0.17548%0.479CS..Hα-helixtrans-60.9-36.7177.200000113.1P62 Q63 S64 R70P62-G66 PolarHBondContact O-N 2.84Å; Q63-G66 CarbonylContact O-C 3.49Å; Q63-G66 PolarHBondContact O-N 2.64Å; S64-G66 VanDerWaalsContact C-N 3.34Å; G66-R70 VanDerWaalsContact O-CB 3.29Å; G66-R70 WeakPolarHBondContact O-CB 3.45Å; G66-R70 VanDerWaalsContact O-CG 3.3Å; G66-R70 WeakPolarHBondContact O-CG 3.47Å; G66-R70 PolarHBondContact O-N 2.98Å
67E71.3Confident71.1Confident105 Ų10588.7 Ų88.749%0.49146%0.462SS..Hα-helixtrans-67.3-42.8174.7-70.7-4795.700111.7Q63 S64 S65 R70 M71Q63-E67 VanDerWaalsContact O-CG 3.26Å; Q63-E67 WeakPolarHBondContact O-CG 3.34Å; Q63-E67 PolarHBondContact O-N 3Å; S64-E67 PolarHBondContact O-N 3.33Å; S65-E67 VanDerWaalsContact C-N 3.3Å; S65-E67 PolarHBondContact O-N 3.03Å; E67-R70 PolarHBondContact O-N 3.44Å; E67-R70 IonicContact OE1-CZ 3.68Å; E67-R70 IonicContact OE1-NE 2.73Å; E67-R70 PolarHBondContact OE1-NE 3.28Å; E67-R70 IonicContact OE1-NH2 3.71Å; E67-R70 PolarHBondContact OE1-NH2 3.38Å; E67-M71 WeakPolarHBondContact O-CB 3.39Å; E67-M71 PolarHBondContact O-N 3.36Å
68A74Confident72.1Confident50 Ų5086.1 Ų86.141%0.41345%0.447SS..Hα-helixtrans-62.5-45.5175.700000111.3S64 S65 R70 M71 V72S64-A68 PolarHBondContact O-N 2.95Å; S65-A68 PolarHBondContact O-N 3.11Å; S65-A68 VanDerWaalsContact O-N 3.16Å; A68-R70 PolarHBondContact O-N 3.43Å; A68-M71 PolarHBondContact O-N 2.85Å; A68-V72 WeakPolarHBondContact O-CG2 3.39Å; A68-V72 PolarHBondContact O-N 2.95Å
69E77.4Confident73.2Confident121 Ų12184.4 Ų84.457%0.56543%0.434SS*.Hα-helixtrans-60.8-44.5176-73167.9-156.600111.8S65 M71 V72 Q73S65-E69 WeakPolarHBondContact O-CG 3.32Å; S65-E69 PolarHBondContact O-N 3.14Å; S65-E69 PolarHBondContact OG-OE1 2.95Å; E69-M71 VanDerWaalsContact C-N 3.33Å; E69-M71 PolarHBondContact O-N 3.04Å; E69-V72 PolarHBondContact O-N 3.44Å; E69-Q73 WeakPolarHBondContact O-CB 3.5Å; E69-Q73 PolarHBondContact O-N 3.37Å
70R78.8Confident74.2Confident150 Ų15086.8 Ų86.857%0.56644%0.435SS*.Hα-helixtrans-59.9-42174.7-84-170.6-95.5-105.13.1111.9G66 E67 A68 Q73 T74G66-R70 VanDerWaalsContact O-CB 3.29Å; G66-R70 WeakPolarHBondContact O-CB 3.45Å; G66-R70 VanDerWaalsContact O-CG 3.3Å; G66-R70 WeakPolarHBondContact O-CG 3.47Å; G66-R70 PolarHBondContact O-N 2.98Å; E67-R70 PolarHBondContact O-N 3.44Å; E67-R70 IonicContact OE1-CZ 3.68Å; E67-R70 IonicContact OE1-NE 2.73Å; E67-R70 PolarHBondContact OE1-NE 3.28Å; E67-R70 IonicContact OE1-NH2 3.71Å; E67-R70 PolarHBondContact OE1-NH2 3.38Å; A68-R70 PolarHBondContact O-N 3.43Å; R70-Q73 PolarHBondContact O-N 2.75Å; R70-T74 WeakPolarHBondContact O-CB 3.41Å; R70-T74 PolarHBondContact O-N 2.88Å; R70-T74 PolarHBondContact O-OG1 3.23Å
71M75.1Confident75.4Confident119 Ų11987 Ų8759%0.58644%0.435SS*.Hα-helixtrans-64-46.6177-174.5-178.569.500111.3E67 A68 E69 Q73 T74 V75E67-M71 WeakPolarHBondContact O-CB 3.39Å; E67-M71 PolarHBondContact O-N 3.36Å; A68-M71 PolarHBondContact O-N 2.85Å; E69-M71 VanDerWaalsContact C-N 3.33Å; E69-M71 PolarHBondContact O-N 3.04Å; M71-Q73 VanDerWaalsContact C-N 3.3Å; M71-Q73 PolarHBondContact O-N 3.18Å; M71-T74 WeakPolarHBondContact O-CB 3.01Å; M71-T74 PolarHBondContact O-N 3.4Å; M71-V75 WeakPolarHBondContact O-CG2 3.45Å; M71-V75 PolarHBondContact O-N 3.44Å
72V79.7Confident76Confident69 Ų6982.2 Ų82.242%0.41842%0.421SS..Hα-helixtrans-60-42.9177171.10000110.9A68 E69 T74 V75 K76A68-V72 WeakPolarHBondContact O-CG2 3.39Å; A68-V72 PolarHBondContact O-N 2.95Å; E69-V72 PolarHBondContact O-N 3.44Å; V72-T74 VanDerWaalsContact C-N 3.35Å; V72-V75 PolarHBondContact O-N 2.91Å; V72-K76 HydrophobicContact CG1-CD 4.07Å; V72-K76 VanDerWaalsContact O-CG 3.31Å; V72-K76 WeakPolarHBondContact O-CG 3.31Å; V72-K76 PolarHBondContact O-N 2.96Å
73Q82.8Confident76.6Confident84 Ų8485.6 Ų85.639%0.39343%0.43SS..Hα-helixtrans-64.7-41.1177.3-172.358.534.300111.5E69 R70 M71 V75 K76 D77E69-Q73 WeakPolarHBondContact O-CB 3.5Å; E69-Q73 PolarHBondContact O-N 3.37Å; R70-Q73 PolarHBondContact O-N 2.75Å; M71-Q73 VanDerWaalsContact C-N 3.3Å; M71-Q73 PolarHBondContact O-N 3.18Å; Q73-V75 VanDerWaalsContact C-N 3.35Å; Q73-V75 PolarHBondContact O-N 3.22Å; Q73-K76 PolarHBondContact O-N 3.31Å; Q73-D77 VanDerWaalsContact NE2-CG 3.26Å; Q73-D77 PolarHBondContact NE2-OD1 3.16Å; Q73-D77 PolarHBondContact NE2-OD2 3.06Å; Q73-D77 WeakPolarHBondContact O-CB 3.18Å; Q73-D77 PolarHBondContact O-N 3Å
74T81.4Confident76.9Confident75 Ų7588.5 Ų88.546%0.4644%0.436SS..Hα-helixtrans-61.3-43176.5-59.10000111.4R70 M71 V72 D77 S78R70-T74 WeakPolarHBondContact O-CB 3.41Å; R70-T74 PolarHBondContact O-N 2.88Å; R70-T74 PolarHBondContact O-OG1 3.23Å; M71-T74 WeakPolarHBondContact O-CB 3.01Å; M71-T74 PolarHBondContact O-N 3.4Å; V72-T74 VanDerWaalsContact C-N 3.35Å; T74-D77 PolarHBondContact O-N 3.41Å; T74-S78 VanDerWaalsContact O-CB 3.32Å; T74-S78 WeakPolarHBondContact O-CB 3.28Å; T74-S78 PolarHBondContact O-N 2.88Å
75V78.5Confident77.5Confident33 Ų3388.9 Ų88.920%0.245%0.446CS..Hα-helixtrans-61-49.3174171.90000110.6M71 V72 Q73 D77 S78 L79 V94 N98M71-V75 WeakPolarHBondContact O-CG2 3.45Å; M71-V75 PolarHBondContact O-N 3.44Å; V72-V75 PolarHBondContact O-N 2.91Å; Q73-V75 VanDerWaalsContact C-N 3.35Å; Q73-V75 PolarHBondContact O-N 3.22Å; V75-D77 VanDerWaalsContact C-N 3.33Å; V75-D77 PolarHBondContact O-N 2.76Å; V75-S78 PolarHBondContact O-N 3.38Å; V75-L79 WeakPolarHBondContact O-CB 3.38Å; V75-L79 PolarHBondContact O-N 2.8Å; V75-V94 HydrophobicContact CB-CG1 4.36Å; V75-V94 HydrophobicContact CG1-CG1 3.98Å; V75-V94 HydrophobicContact CG2-CG1 4.35Å; V75-N98 VanDerWaalsContact CG2-ND2 3.28Å; V75-N98 WeakPolarHBondContact CG2-ND2 3.27Å
76K84.9Confident78.2Confident113 Ų11391.8 Ų91.849%0.49146%0.457SS..Hα-helixtrans-58.4-45179-74.7171.9178.4175.90111.5V72 Q73 L79 K80V72-K76 HydrophobicContact CG1-CD 4.07Å; V72-K76 VanDerWaalsContact O-CG 3.31Å; V72-K76 WeakPolarHBondContact O-CG 3.31Å; V72-K76 PolarHBondContact O-N 2.96Å; Q73-K76 PolarHBondContact O-N 3.31Å; K76-L79 PolarHBondContact O-N 2.94Å; K76-K80 WeakPolarHBondContact O-CG 3.38Å; K76-K80 PolarHBondContact O-N 3.15Å
77D83.2Confident78.6Confident50 Ų5098.2 Ų98.227%0.26748%0.476SS..Hα-helixtrans-73.7-34.4-178.8-68.1-25.8000112.2Q73 T74 V75 L79 K80 R81Q73-D77 VanDerWaalsContact NE2-CG 3.26Å; Q73-D77 PolarHBondContact NE2-OD1 3.16Å; Q73-D77 PolarHBondContact NE2-OD2 3.06Å; Q73-D77 WeakPolarHBondContact O-CB 3.18Å; Q73-D77 PolarHBondContact O-N 3Å; T74-D77 PolarHBondContact O-N 3.41Å; V75-D77 VanDerWaalsContact C-N 3.33Å; V75-D77 PolarHBondContact O-N 2.76Å; D77-L79 VanDerWaalsContact C-N 3.28Å; D77-L79 PolarHBondContact O-N 3.3Å; D77-K80 PolarHBondContact O-N 2.83Å; D77-K80 IonicContact OD1-NZ 3.86Å; D77-K80 PolarHBondContact OD1-NZ 2.89Å; D77-R81 WeakPolarHBondContact O-CG 3.45Å; D77-R81 PolarHBondContact O-N 3.5Å; D77-R81 VanDerWaalsContact O-N 3.13Å; D77-R81 PolarHBondContact O-NH1 3.41Å
78S78.3Confident79.1Confident21 Ų2197.1 Ų97.115%0.14748%0.479CS..Hα-helixtrans-62.1-40.7170.8-163.70000111.5T74 V75 R81 T82T74-S78 VanDerWaalsContact O-CB 3.32Å; T74-S78 WeakPolarHBondContact O-CB 3.28Å; T74-S78 PolarHBondContact O-N 2.88Å; V75-S78 PolarHBondContact O-N 3.38Å; S78-R81 PolarHBondContact O-N 3.35Å; S78-T82 PolarHBondContact O-N 3.46Å; S78-T82 PolarHBondContact O-OG1 2.84Å
79L82.4Confident79.2Confident18 Ų1898.2 Ų98.29%0.09448%0.484CS..Hα-helixtrans-66-43178.5-168.149.5000111.1V75 K76 D77 R81 T82 W87 R90V75-L79 WeakPolarHBondContact O-CB 3.38Å; V75-L79 PolarHBondContact O-N 2.8Å; K76-L79 PolarHBondContact O-N 2.94Å; D77-L79 VanDerWaalsContact C-N 3.28Å; D77-L79 PolarHBondContact O-N 3.3Å; L79-R81 PolarHBondContact O-N 2.87Å; L79-T82 PolarHBondContact O-N 3.4Å; L79-W87 HydrophobicContact CD1-CE3 4.13Å; L79-W87 HydrophobicContact CD1-CH2 4.49Å; L79-W87 HydrophobicContact CD1-CZ3 3.88Å; L79-W87 HydrophobicContact CD2-CE3 4.12Å; L79-W87 HydrophobicContact CD2-CH2 3.04Å; L79-W87 HydrophobicContact CD2-CZ2 3.8Å; L79-W87 HydrophobicContact CD2-CZ3 3.2Å; L79-W87 HydrophobicContact CG-CE3 4.34Å; L79-W87 HydrophobicContact CG-CH2 3.98Å; L79-W87 HydrophobicContact CG-CZ3 3.59Å; L79-R90 HydrophobicContact CD1-CB 3.58Å; L79-R90 PolarHBondContact O-NH2 2.8Å
80K81.5Confident79.3Confident135 Ų13594.9 Ų94.959%0.58747%0.466SS*.Hα-helixtrans-56.9-36.5172.9-69.9171.7-168.2160.90113K76 D77K76-K80 WeakPolarHBondContact O-CG 3.38Å; K76-K80 PolarHBondContact O-N 3.15Å; D77-K80 PolarHBondContact O-N 2.83Å; D77-K80 IonicContact OD1-NZ 3.86Å; D77-K80 PolarHBondContact OD1-NZ 2.89Å
81R80.4Confident79.4Confident169 Ų16990.6 Ų90.664%0.63845%0.454SS*.Hα-helixtrans-72.5-39.6179.1-71-171.6-59.1-934.3113.1D77 S78 L79 M83D77-R81 WeakPolarHBondContact O-CG 3.45Å; D77-R81 PolarHBondContact O-N 3.5Å; D77-R81 VanDerWaalsContact O-N 3.13Å; D77-R81 PolarHBondContact O-NH1 3.41Å; S78-R81 PolarHBondContact O-N 3.35Å; L79-R81 PolarHBondContact O-N 2.87Å; R81-M83 VanDerWaalsContact C-N 3.35Å; R81-M83 PolarHBondContact O-N 3.49Å
82T75.2Confident79.5Confident44 Ų4488.9 Ų88.927%0.2745%0.453SS..  trans-75.586.1179.3-49.40000109S78 L79 Y84 R90S78-T82 PolarHBondContact O-N 3.46Å; S78-T82 PolarHBondContact O-OG1 2.84Å; L79-T82 PolarHBondContact O-N 3.4Å; T82-Y84 VanDerWaalsContact C-N 3.31Å; T82-R90 HydrophobicContact CG2-CB 4.34Å; T82-R90 HydrophobicContact CG2-CG 3.85Å; T82-R90 WeakPolarHBondContact O-CD 3.3Å; T82-R90 PolarHBondContact O-NE 2.84Å; T82-R90 PolarHBondContact O-NH2 3.1Å
83M73Confident79.4Confident167 Ų16788.4 Ų88.482%0.82345%0.453SS*.  trans-81.9-10.1179.1-66.5-154.27400113.9R81R81-M83 VanDerWaalsContact C-N 3.35Å; R81-M83 PolarHBondContact O-N 3.49Å
84Y71.8Confident79.2Confident213 Ų21384.5 Ų84.584%0.83544%0.435SS*.SBendtrans-98.1131.4-173.5-158-96.4000112.1T82T82-Y84 VanDerWaalsContact C-N 3.31Å
85G75.4Confident79.1Confident47 Ų4785 Ų8549%0.48543%0.434SS..SBendtrans94.3168.3173.400000115.6R90G85-R90 VanDerWaalsContact O-CD 3.3Å; G85-R90 WeakPolarHBondContact O-CD 3.26Å
86N83.5Confident78.8Confident128 Ų12888.7 Ų88.768%0.68445%0.452SS*.  trans-60.5149.4178.4-75.2-63.7000111.5S88 S89 R90N86-S88 VanDerWaalsContact C-N 3.26Å; N86-S88 PolarHBondContact O-N 2.92Å; N86-S89 WeakPolarHBondContact O-CB 3.39Å; N86-S89 PolarHBondContact O-N 3.33Å; N86-R90 WeakPolarHBondContact O-CG 3.29Å; N86-R90 PolarHBondContact O-N 3.48Å
87W82Confident78.2Confident151 Ų15186 Ų8657%0.57245%0.445SS*.Hα-helixtrans-48.8-47179.7174.7-106.4000112.9L79 S89 R90 L91L79-W87 HydrophobicContact CD1-CE3 4.13Å; L79-W87 HydrophobicContact CD1-CH2 4.49Å; L79-W87 HydrophobicContact CD1-CZ3 3.88Å; L79-W87 HydrophobicContact CD2-CE3 4.12Å; L79-W87 HydrophobicContact CD2-CH2 3.04Å; L79-W87 HydrophobicContact CD2-CZ2 3.8Å; L79-W87 HydrophobicContact CD2-CZ3 3.2Å; L79-W87 HydrophobicContact CG-CE3 4.34Å; L79-W87 HydrophobicContact CG-CH2 3.98Å; L79-W87 HydrophobicContact CG-CZ3 3.59Å; W87-S89 VanDerWaalsContact C-N 3.34Å; W87-S89 PolarHBondContact O-N 2.85Å; W87-R90 PolarHBondContact O-N 3.14Å; W87-L91 PolarHBondContact O-N 2.9Å
88S80.8Confident77.4Confident82 Ų8286.2 Ų86.257%0.57345%0.447SS*.Hα-helixtrans-60.5-42.6179.4-45.90000112.2N86 R90 L91 C92N86-S88 VanDerWaalsContact C-N 3.26Å; N86-S88 PolarHBondContact O-N 2.92Å; S88-R90 PolarHBondContact O-N 3.46Å; S88-L91 PolarHBondContact O-N 3.38Å; S88-C92 WeakPolarHBondContact O-CB 3.23Å; S88-C92 PolarHBondContact O-N 3.28Å; S88-C92 PolarHBondContact O-SG 3.09Å
89S77.3Confident76.9Confident73 Ų7388.3 Ų88.351%0.5146%0.461SS..Hα-helixtrans-65.4-39.7178-52.80000111.8N86 W87 C92 S93N86-S89 WeakPolarHBondContact O-CB 3.39Å; N86-S89 PolarHBondContact O-N 3.33Å; W87-S89 VanDerWaalsContact C-N 3.34Å; W87-S89 PolarHBondContact O-N 2.85Å; S89-C92 PolarHBondContact O-N 3.5Å; S89-S93 WeakPolarHBondContact O-CB 3.41Å; S89-S93 PolarHBondContact O-N 3.33Å
90R78.3Confident75.6Confident51 Ų5191.5 Ų91.519%0.19248%0.481CS..Hα-helixtrans-65-45.1176.8-64.2165.658.2-179.710.6111L79 T82 G85 N86 W87 S88 S93 V94L79-R90 HydrophobicContact CD1-CB 3.58Å; L79-R90 PolarHBondContact O-NH2 2.8Å; T82-R90 HydrophobicContact CG2-CB 4.34Å; T82-R90 HydrophobicContact CG2-CG 3.85Å; T82-R90 WeakPolarHBondContact O-CD 3.3Å; T82-R90 PolarHBondContact O-NE 2.84Å; T82-R90 PolarHBondContact O-NH2 3.1Å; G85-R90 VanDerWaalsContact O-CD 3.3Å; G85-R90 WeakPolarHBondContact O-CD 3.26Å; N86-R90 WeakPolarHBondContact O-CG 3.29Å; N86-R90 PolarHBondContact O-N 3.48Å; W87-R90 PolarHBondContact O-N 3.14Å; S88-R90 PolarHBondContact O-N 3.46Å; R90-S93 PolarHBondContact O-N 2.92Å; R90-V94 WeakPolarHBondContact O-CG2 3.4Å; R90-V94 PolarHBondContact O-N 3.41Å
91L80.9Confident74.3Confident60 Ų6090.4 Ų90.431%0.31448%0.48SS..Hα-helixtrans-62.3-47.1177.5-175.162.8000111.2W87 S88 S93 V94 L95W87-L91 PolarHBondContact O-N 2.9Å; S88-L91 PolarHBondContact O-N 3.38Å; L91-S93 VanDerWaalsContact C-N 3.31Å; L91-S93 PolarHBondContact O-N 3.17Å; L91-V94 PolarHBondContact O-N 2.99Å; L91-L95 HydrophobicContact CD1-CD1 4.24Å; L91-L95 HydrophobicContact CD1-CG 4.22Å; L91-L95 HydrophobicContact CG-CD1 3.93Å; L91-L95 HydrophobicContact CG-CG 4.33Å; L91-L95 WeakPolarHBondContact O-CB 3.46Å; L91-L95 VanDerWaalsContact O-CG 3.29Å; L91-L95 WeakPolarHBondContact O-CG 3.34Å; L91-L95 PolarHBondContact O-N 3.31Å
92C78.8Confident72.5Confident84 Ų8484.3 Ų84.357%0.56846%0.464SS*.Hα-helixtrans-58.6-41.7175.9-70.20000112.1S88 S89 L95 L96S88-C92 WeakPolarHBondContact O-CB 3.23Å; S88-C92 PolarHBondContact O-N 3.28Å; S88-C92 PolarHBondContact O-SG 3.09Å; S89-C92 PolarHBondContact O-N 3.5Å; C92-L95 PolarHBondContact O-N 3.5Å; C92-L96 WeakPolarHBondContact O-CB 3.3Å; C92-L96 PolarHBondContact O-N 2.85Å
93S77.9Confident71.3Confident58 Ų5885.5 Ų85.541%0.40647%0.474SS..Hα-helixtrans-64.3-44.6177.2177.80000112.2S89 R90 L91 L96 T97S89-S93 WeakPolarHBondContact O-CB 3.41Å; S89-S93 PolarHBondContact O-N 3.33Å; R90-S93 PolarHBondContact O-N 2.92Å; L91-S93 VanDerWaalsContact C-N 3.31Å; L91-S93 PolarHBondContact O-N 3.17Å; S93-L96 PolarHBondContact O-N 2.8Å; S93-T97 VanDerWaalsContact O-CB 3.31Å; S93-T97 WeakPolarHBondContact O-CB 3.35Å; S93-T97 PolarHBondContact O-N 2.95Å; S93-T97 PolarHBondContact O-OG1 2.77Å
94V76.7Confident70Confident2 Ų284.9 Ų84.91%0.01248%0.479CS..Hα-helixtrans-65.8-43.2177.6174.20000111.2V75 R90 L91 T97 N98V75-V94 HydrophobicContact CB-CG1 4.36Å; V75-V94 HydrophobicContact CG1-CG1 3.98Å; V75-V94 HydrophobicContact CG2-CG1 4.35Å; R90-V94 WeakPolarHBondContact O-CG2 3.4Å; R90-V94 PolarHBondContact O-N 3.41Å; L91-V94 PolarHBondContact O-N 2.99Å; V94-T97 PolarHBondContact O-N 2.82Å; V94-N98 WeakPolarHBondContact O-CB 3.18Å; V94-N98 VanDerWaalsContact O-CG 3.28Å; V94-N98 PolarHBondContact O-N 3.29Å; V94-N98 PolarHBondContact O-ND2 2.93Å
95L80.1Confident68.9Low86 Ų8679 Ų7945%0.4548%0.475SS..Hα-helixtrans-63.4-46.5176.7-70.4175.7000111.3L91 C92 T97 N98 S99L91-L95 HydrophobicContact CD1-CD1 4.24Å; L91-L95 HydrophobicContact CD1-CG 4.22Å; L91-L95 HydrophobicContact CG-CD1 3.93Å; L91-L95 HydrophobicContact CG-CG 4.33Å; L91-L95 WeakPolarHBondContact O-CB 3.46Å; L91-L95 VanDerWaalsContact O-CG 3.29Å; L91-L95 WeakPolarHBondContact O-CG 3.34Å; L91-L95 PolarHBondContact O-N 3.31Å; C92-L95 PolarHBondContact O-N 3.5Å; L95-T97 VanDerWaalsContact C-N 3.32Å; L95-T97 PolarHBondContact O-N 3.3Å; L95-N98 CarbonylContact O-C 3.59Å; L95-N98 PolarHBondContact O-N 2.89Å; L95-S99 WeakPolarHBondContact O-CB 3.45Å; L95-S99 PolarHBondContact O-N 3.24Å; L95-S99 PolarHBondContact O-OG 3.39Å; L95-S99 VanDerWaalsContact O-OG 3.04Å
96L72.5Confident67.6Low111 Ų11180.7 Ų80.758%0.58148%0.476SS*.Hα-helixtrans-60.6-43.9177-17566.5000111.3C92 S93 N98 S99 V100C92-L96 WeakPolarHBondContact O-CB 3.3Å; C92-L96 PolarHBondContact O-N 2.85Å; S93-L96 PolarHBondContact O-N 2.8Å; L96-N98 VanDerWaalsContact C-N 3.33Å; L96-N98 PolarHBondContact O-N 3.46Å; L96-S99 PolarHBondContact O-N 3.19Å; L96-V100 HydrophobicContact CD1-CG2 3.64Å; L96-V100 HydrophobicContact CG-CG2 4.07Å; L96-V100 VanDerWaalsContact O-CB 3.24Å; L96-V100 WeakPolarHBondContact O-CB 3.41Å; L96-V100 WeakPolarHBondContact O-CG2 3.41Å; L96-V100 PolarHBondContact O-N 2.86Å
97T71.1Confident65.9Low55 Ų5577.4 Ų77.434%0.33747%0.472SS..Hα-helixtrans-58.4-46.4175.3-58.40000110.7S93 V94 L95 S99 V100 I101S93-T97 VanDerWaalsContact O-CB 3.31Å; S93-T97 WeakPolarHBondContact O-CB 3.35Å; S93-T97 PolarHBondContact O-N 2.95Å; S93-T97 PolarHBondContact O-OG1 2.77Å; V94-T97 PolarHBondContact O-N 2.82Å; L95-T97 VanDerWaalsContact C-N 3.32Å; L95-T97 PolarHBondContact O-N 3.3Å; T97-S99 VanDerWaalsContact C-N 3.33Å; T97-S99 PolarHBondContact O-N 2.88Å; T97-V100 PolarHBondContact O-N 3.24Å; T97-I101 HydrophobicContact CG2-CD1 3.36Å; T97-I101 HydrophobicContact CG2-CG1 3.93Å; T97-I101 WeakPolarHBondContact O-CA 3.37Å; T97-I101 WeakPolarHBondContact O-CB 3.2Å; T97-I101 VanDerWaalsContact O-CG1 3.32Å; T97-I101 WeakPolarHBondContact O-CG1 3.47Å; T97-I101 PolarHBondContact O-N 3.09Å
98N67.8Low64.1Low56 Ų5674.5 Ų74.530%0.29947%0.465SS..Hα-helixtrans-70.2-27.5178.4-70.9-27.9000113.4V75 V94 L95 L96 P110V75-N98 VanDerWaalsContact CG2-ND2 3.28Å; V75-N98 WeakPolarHBondContact CG2-ND2 3.27Å; V94-N98 WeakPolarHBondContact O-CB 3.18Å; V94-N98 VanDerWaalsContact O-CG 3.28Å; V94-N98 PolarHBondContact O-N 3.29Å; V94-N98 PolarHBondContact O-ND2 2.93Å; L95-N98 CarbonylContact O-C 3.59Å; L95-N98 PolarHBondContact O-N 2.89Å; L96-N98 VanDerWaalsContact C-N 3.33Å; L96-N98 PolarHBondContact O-N 3.46Å; N98-P110 WeakPolarHBondContact O-CG 3.33Å
99S67.9Low62.7Low64 Ų6472.9 Ų72.945%0.44845%0.451SS..Hα-helixtrans-80.5-33.5177-64.80000112.8L95 L96 T97 P110L95-S99 WeakPolarHBondContact O-CB 3.45Å; L95-S99 PolarHBondContact O-N 3.24Å; L95-S99 PolarHBondContact O-OG 3.39Å; L95-S99 VanDerWaalsContact O-OG 3.04Å; L96-S99 PolarHBondContact O-N 3.19Å; T97-S99 VanDerWaalsContact C-N 3.33Å; T97-S99 PolarHBondContact O-N 2.88Å; S99-P110 WeakPolarHBondContact O-CD 3.16Å; S99-P110 WeakPolarHBondContact O-CG 3.36Å
100V55.5Low61.4Low86 Ų8671.2 Ų71.252%0.52144%0.439SS..Hα-helixtrans-99.1-38.3-171.9177.50000112.2L96 T97 S102 T109L96-V100 HydrophobicContact CD1-CG2 3.64Å; L96-V100 HydrophobicContact CG-CG2 4.07Å; L96-V100 VanDerWaalsContact O-CB 3.24Å; L96-V100 WeakPolarHBondContact O-CB 3.41Å; L96-V100 WeakPolarHBondContact O-CG2 3.41Å; L96-V100 PolarHBondContact O-N 2.86Å; T97-V100 PolarHBondContact O-N 3.24Å; V100-S102 PolarHBondContact O-N 3.32Å; V100-T109 WeakPolarHBondContact O-CG2 3.35Å
101I52.6Low60.1Low111 Ų11169.8 Ų69.857%0.56944%0.438SS*.SBendtrans-76.8103.2-178.7-58-169.3000109T97 S103T97-I101 HydrophobicContact CG2-CD1 3.36Å; T97-I101 HydrophobicContact CG2-CG1 3.93Å; T97-I101 WeakPolarHBondContact O-CA 3.37Å; T97-I101 WeakPolarHBondContact O-CB 3.2Å; T97-I101 VanDerWaalsContact O-CG1 3.32Å; T97-I101 WeakPolarHBondContact O-CG1 3.47Å; T97-I101 PolarHBondContact O-N 3.09Å; I101-S103 PolarHBondContact O-N 2.96Å
102S44Very low58.8Low42 Ų4273 Ų7329%0.29445%0.452SS..  trans-52.8131.6165.750.60000110.8V100 V104 Q108V100-S102 PolarHBondContact O-N 3.32Å; S102-V104 PolarHBondContact O-N 3.22Å; S102-Q108 VanDerWaalsContact CA-O 3.28Å; S102-Q108 WeakPolarHBondContact CA-O 3.3Å; S102-Q108 WeakPolarHBondContact CB-O 3.47Å
103S48.4Very low57.5Low68 Ų6877.9 Ų77.948%0.47646%0.458SS..  trans-61126.4172178.90000109.4I101 A105 T106 G107I101-S103 PolarHBondContact O-N 2.96Å; S103-A105 PolarHBondContact O-N 3.37Å; S103-A105 PolarHBondContact OG-N 2.93Å; S103-T106 PolarHBondContact O-N 3.08Å; S103-G107 PolarHBondContact O-N 3.25Å
104V47.4Very low56.4Low155 Ų15580 Ų8094%0.93947%0.465SS*.THydrogen-bonded Turntrans-53.4-22.7174.9-80.40000113.1S102S102-V104 PolarHBondContact O-N 3.22Å
105A47Very low55Low89 Ų8983 Ų8374%0.73650%0.495SS*.THydrogen-bonded Turntrans-76.4-19.7178.100000114.2S103S103-A105 PolarHBondContact O-N 3.37Å; S103-A105 PolarHBondContact OG-N 2.93Å
106T49.8Very low53.5Low83 Ų8382.9 Ų82.951%0.50950%0.499SS..THydrogen-bonded Turntrans-129.2-15.9-173.1-44.90000112.7S103 Q108S103-T106 PolarHBondContact O-N 3.08Å; T106-Q108 HydrophobicContact CG2-CB 4.48Å; T106-Q108 HydrophobicContact CG2-CG 4.46Å; T106-Q108 PolarHBondContact O-N 3.36Å
107G47.9Very low52.3Low59 Ų5986.7 Ų86.761%0.60851%0.51SS*.  trans67.2-1.9178.800000114.7S103S103-G107 PolarHBondContact O-N 3.25Å
108Q44Very low51Low89 Ų8989.5 Ų89.542%0.41653%0.528SS..  trans-100.7136.8178-64.5-173.25.400110.4S102 T106 E112S102-Q108 VanDerWaalsContact CA-O 3.28Å; S102-Q108 WeakPolarHBondContact CA-O 3.3Å; S102-Q108 WeakPolarHBondContact CB-O 3.47Å; T106-Q108 HydrophobicContact CG2-CB 4.48Å; T106-Q108 HydrophobicContact CG2-CG 4.46Å; T106-Q108 PolarHBondContact O-N 3.36Å; Q108-E112 WeakPolarHBondContact CG-OE1 2.66Å
109T51.1Low50.1Low48 Ų4893.8 Ų93.829%0.29455%0.546SS..  trans-72.2142.517064.30000108.7V100 A111 E112 R113V100-T109 WeakPolarHBondContact O-CG2 3.35Å; T109-A111 PolarHBondContact O-N 3.38Å; T109-A111 VanDerWaalsContact O-N 3.14Å; T109-E112 WeakPolarHBondContact O-CA 3.08Å; T109-E112 WeakPolarHBondContact O-CB 2.83Å; T109-E112 PolarHBondContact O-N 3.27Å; T109-E112 PolarHBondContact OG1-N 2.98Å; T109-R113 PolarHBondContact O-N 3.42Å
110P50.8Low49Very low38 Ų3896.7 Ų96.725%0.24756%0.557CS.*Hα-helixtrans-60-23.7177.89.4-15.2000112.9N98 S99 R113 N114N98-P110 WeakPolarHBondContact O-CG 3.33Å; S99-P110 WeakPolarHBondContact O-CD 3.16Å; S99-P110 WeakPolarHBondContact O-CG 3.36Å; P110-R113 PolarHBondContact O-N 3.24Å; P110-N114 WeakPolarHBondContact O-CB 3.09Å; P110-N114 PolarHBondContact O-N 3.47Å; P110-N114 PolarHBondContact O-ND2 3.21Å
111A49.2Very low48.6Very low21 Ų2198.9 Ų98.917%0.17457%0.57CS.*Hα-helixtrans-61.3-44.3169.200000112.5T109 N114 G115 T116 T118T109-A111 PolarHBondContact O-N 3.38Å; T109-A111 VanDerWaalsContact O-N 3.14Å; A111-N114 PolarHBondContact O-N 3.19Å; A111-G115 PolarHBondContact O-N 3.49Å; A111-G115 VanDerWaalsContact O-N 3.11Å; A111-T116 WeakPolarHBondContact CA-OG1 3.05Å; A111-T116 PolarHBondContact O-N 3.31Å; A111-T116 VanDerWaalsContact O-N 3.15Å; A111-T116 PolarHBondContact O-OG1 2.69Å; A111-T118 HydrophobicContact CB-CG2 4.47Å
112E54.1Low48.3Very low128 Ų128101.9 Ų101.960%0.59858%0.579SS**Hα-helixtrans-65.4-44.3174.8-171.1170.593.100111.2Q108 T109 N114 G115Q108-E112 WeakPolarHBondContact CG-OE1 2.66Å; T109-E112 WeakPolarHBondContact O-CA 3.08Å; T109-E112 WeakPolarHBondContact O-CB 2.83Å; T109-E112 PolarHBondContact O-N 3.27Å; T109-E112 PolarHBondContact OG1-N 2.98Å; E112-N114 VanDerWaalsContact C-N 3.31Å; E112-N114 PolarHBondContact O-N 3.07Å; E112-G115 PolarHBondContact O-N 3.39Å
113R51.9Low48.2Very low187 Ų187107.7 Ų107.771%0.70660%0.601SS**Hα-helixtrans-64-33.3177.1-175.8178175.8163.50113.2T109 P110T109-R113 PolarHBondContact O-N 3.42Å; P110-R113 PolarHBondContact O-N 3.24Å
114N55.1Low48.2Very low103 Ų103112.8 Ų112.855%0.55162%0.617SS**Hα-helixtrans-91.1-2.5-178.6-68.7-16.6000113.4P110 A111 E112 T116P110-N114 WeakPolarHBondContact O-CB 3.09Å; P110-N114 PolarHBondContact O-N 3.47Å; P110-N114 PolarHBondContact O-ND2 3.21Å; A111-N114 PolarHBondContact O-N 3.19Å; E112-N114 VanDerWaalsContact C-N 3.31Å; E112-N114 PolarHBondContact O-N 3.07Å; N114-T116 PolarHBondContact O-N 3.46Å
115G47.5Very low48.1Very low63 Ų63111 Ų11165%0.64960%0.601SS**THydrogen-bonded Turntrans66.619.6179.400000113.9A111 E112 K117A111-G115 PolarHBondContact O-N 3.49Å; A111-G115 VanDerWaalsContact O-N 3.11Å; E112-G115 PolarHBondContact O-N 3.39Å; G115-K117 PolarHBondContact O-N 3.3Å
116T47Very low48Very low85 Ų85111.4 Ų111.452%0.52160%0.599SS.*  trans-79.182169.356.20000107A111 N114 T118A111-T116 WeakPolarHBondContact CA-OG1 3.05Å; A111-T116 PolarHBondContact O-N 3.31Å; A111-T116 VanDerWaalsContact O-N 3.15Å; A111-T116 PolarHBondContact O-OG1 2.69Å; N114-T116 PolarHBondContact O-N 3.46Å; T116-T118 PolarHBondContact O-N 3.03Å
117K47.5Very low47.9Very low190 Ų190113.2 Ų113.283%0.82661%0.612SS**  trans-53.2108.9172.5-126.1170.4173.3-179.80107.8G115 E119G115-K117 PolarHBondContact O-N 3.3Å; K117-E119 PolarHBondContact O-N 2.77Å
118T43.8Very low47.9Very low115 Ų115120.1 Ų120.171%0.70663%0.625SS**THydrogen-bonded Turntrans-75.939.2-177.835.20000112.5A111 T116A111-T118 HydrophobicContact CB-CG2 4.47Å; T116-T118 PolarHBondContact O-N 3.03Å
119E48.9Very low47.8Very low145 Ų145123.4 Ų123.468%0.67864%0.64SS**THydrogen-bonded Turntrans-110.3-15.3-173.2-60.3-64.3123.900114.5K117K117-E119 PolarHBondContact O-N 2.77Å
120D44.5Very low47.4Very low126 Ų126129 Ų12967%0.67467%0.667SS**SBendtrans-122.814.2-167.3-81.3-30.5000117.5
121V47Very low47Very low131 Ų131133.6 Ų133.679%0.79469%0.69SS**SBendtrans-87.9-30.4173.9-172.40000112.1
122F47.7Very low46.8Very low175 Ų175136.4 Ų136.477%0.76872%0.721SS**G310 helixtrans-78.8-22.7-176-157.9-100.4000113.5H124 I125F122-H124 VanDerWaalsContact C-N 3.31Å; F122-H124 PolarHBondContact O-N 3.05Å; F122-I125 HydrophobicContact CD2-CD1 3.89Å; F122-I125 HydrophobicContact CE2-CD1 4Å; F122-I125 VanDerWaalsContact O-CG1 3.23Å; F122-I125 WeakPolarHBondContact O-CG1 3.11Å
123E42.5Very low46Very low163 Ų163141 Ų14176%0.76273%0.733SS**G310 helixtrans-74.4-18.8-179.3-114-164.4172.100113.9I125E123-I125 VanDerWaalsContact C-N 3.27Å; E123-I125 PolarHBondContact O-N 3.41Å
124H47.8Very low45.4Very low175 Ų175138.4 Ų138.481%0.8174%0.738SS**G310 helixtrans-82.91.3-177.8-153.177000114.5F122F122-H124 VanDerWaalsContact C-N 3.31Å; F122-H124 PolarHBondContact O-N 3.05Å
125I45.7Very low45.4Very low118 Ų118143.3 Ų143.361%0.60577%0.772SS**G310 helixtrans-11432.2-178.937174.3000113.1F122 E123 P127F122-I125 HydrophobicContact CD2-CD1 3.89Å; F122-I125 HydrophobicContact CE2-CD1 4Å; F122-I125 VanDerWaalsContact O-CG1 3.23Å; F122-I125 WeakPolarHBondContact O-CG1 3.11Å; E123-I125 VanDerWaalsContact C-N 3.27Å; E123-I125 PolarHBondContact O-N 3.41Å; I125-P127 WeakPolarHBondContact O-CD 3.37Å
126S44Very low45.3Very low97 Ų97147.4 Ų147.468%0.67878%0.778SS**  trans-90.6103.3160.1-84.20000110.6K128S126-K128 PolarHBondContact O-N 2.99Å; S126-K128 VanDerWaalsContact O-N 3.11Å
127P48.8Very low45.2Very low121 Ų121150.6 Ų150.679%0.78679%0.792SS**  trans-68.7109.5173.128.3-31.7000108.4I125 H129I125-P127 WeakPolarHBondContact O-CD 3.37Å; P127-H129 PolarHBondContact O-N 2.91Å
128K47.6Very low45Very low205 Ų205148.4 Ų148.489%0.89179%0.79SS**  trans-62.3114.7178.5-41.9-172-169.1-173.40107.7S126S126-K128 PolarHBondContact O-N 2.99Å; S126-K128 VanDerWaalsContact O-N 3.11Å
129H40.7Very low45.1Very low158 Ų158150.4 Ų150.473%0.73180%0.795SS**  trans-51.3136.9-173.6-169.470.5000112.6P127 D131P127-H129 PolarHBondContact O-N 2.91Å; H129-D131 IonicContact CD2-OD2 2.83Å; H129-D131 PolarHBondContact CD2-OD2 2.73Å; H129-D131 VanDerWaalsContact CD2-OD2 3.3Å; H129-D131 IonicContact NE2-OD2 2.76Å; H129-D131 PolarHBondContact O-N 2.72Å
130L43.9Very low44.9Very low164 Ų164150.8 Ų150.886%0.85980%0.802SS**  trans-70.7102.5177.2-66.9163.3000110.2
131D42.5Very low44.9Very low136 Ų136152.4 Ų152.473%0.72781%0.811SS**  trans-129.189.4165.3-81.9-39.4000110.7H129H129-D131 IonicContact CD2-OD2 2.83Å; H129-D131 PolarHBondContact CD2-OD2 2.73Å; H129-D131 VanDerWaalsContact CD2-OD2 3.3Å; H129-D131 IonicContact NE2-OD2 2.76Å; H129-D131 PolarHBondContact O-N 2.72Å
132G43.2Very low44.8Very low80 Ų80153.9 Ų153.983%0.82581%0.812SS**  trans-139.440.9165.900000110
133R38.1Very low44.5Very low225 Ų225152.3 Ų152.385%0.84982%0.815SS**  trans-93103.9175-177.3172.8-83.9122.2-5.2109.3
134T39.8Very low44.7Very low132 Ų132151.4 Ų151.481%0.8182%0.82SS**  trans32105.8138.3-47.40000117.5
135T54.2Low44.4Very low206 Ų206149.3 Ų149.3100%1.26482%0.82SS**  trans-131.20135.3171.30000107.7

Retrieved 135 of 135 residues in 566.8 ms (Link to these results)