A0A077ZNK6_TRITR Loading...

Putative general transcription factor 3C polypept ide 5

AlphaFold DB , UniProt , Accession A0A077ZNK6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 109 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
1M43.4Very low47.8Very low243 Ų243157.6 Ų157.6100%1.19785%0.853SS**  0104.50-143.5167-178.100106.3
2M51.8Low47.4Very low176 Ų176155.9 Ų155.987%0.86785%0.852SS**  trans-96.6130.7-178-67.5-64.7-178.800109S4M2-S4 PolarHBondContact O-N 3.24Å
3P48.4Very low47.5Very low110 Ų110151.9 Ų151.971%0.71484%0.835SS**  trans-75.1125.8177.928-30.5000111.4N5P3-N5 PolarHBondContact O-N 3.48Å
4S52.8Low47.6Very low117 Ų117157.1 Ų157.182%0.81884%0.836SS**  trans-79.888.9-177.7-160000111M2M2-S4 PolarHBondContact O-N 3.24Å
5N48.4Very low47.7Very low146 Ų146157.5 Ų157.578%0.78183%0.831SS**  trans-115.131.6176.9-70.9-26.2000113.9P3 R7P3-N5 PolarHBondContact O-N 3.48Å; N5-R7 PolarHBondContact O-N 2.96Å
6L51.7Low48.2Very low173 Ų173152 Ų15291%0.90681%0.809SS**  trans-78.569.1166.2-80.2153.6000110
7R44Very low48.6Very low243 Ų243153.7 Ų153.792%0.91781%0.811SS**  trans-123.268.5164.3-165.8179.7-166.5-164.93.1109N5N5-R7 PolarHBondContact O-N 2.96Å
8T53.6Low49Very low128 Ų128151.6 Ų151.679%0.78580%0.798SS**  trans-87.5118.6165.1-8.70000107.5R10T8-R10 PolarHBondContact O-N 3.31Å; T8-R10 VanDerWaalsContact O-N 3.13Å
9G40.7Very low49.7Very low78 Ų78145.7 Ų145.780%0.80477%0.767SS**  trans-48.4112.9-168.900000114
10R42.4Very low50.5Low234 Ų234144.3 Ų144.388%0.88377%0.769SS**  trans-77.3118.4158.9-167.3175-172.41671.4106.1T8 T12T8-R10 PolarHBondContact O-N 3.31Å; T8-R10 VanDerWaalsContact O-N 3.13Å; R10-T12 PolarHBondContact O-N 3Å
11A48.4Very low51.9Low86 Ų86139.2 Ų139.271%0.71175%0.745SS**  trans-50.1114.3168.700000107.9V13A11-V13 PolarHBondContact O-N 2.94Å
12T42.8Very low53.9Low137 Ų137133.8 Ų133.884%0.8472%0.721SS**  trans-70.386.3169.624.60000106.6R10 R14R10-T12 PolarHBondContact O-N 3Å; T12-R14 VanDerWaalsContact C-N 3.34Å; T12-R14 PolarHBondContact O-N 2.98Å
13V49.4Very low55.9Low104 Ų104129.5 Ų129.563%0.6370%0.699SS**  trans-58.1106.8161.5179.90000104.8A11 H15A11-V13 PolarHBondContact O-N 2.94Å; V13-H15 PolarHBondContact O-N 3.2Å
14R48.5Very low58.1Low225 Ų225124.6 Ų124.685%0.84967%0.666SS**  trans-52.5120.9167.3-71.6-176.7174.6-179.7-0.7105.2T12 S16T12-R14 VanDerWaalsContact C-N 3.34Å; T12-R14 PolarHBondContact O-N 2.98Å; R14-S16 PolarHBondContact O-N 2.98Å
15H49.5Very low59.9Low163 Ų163121.5 Ų121.576%0.75564%0.641SS**  trans-63.177.1165.6-94.715.8000106.9V13 Q17V13-H15 PolarHBondContact O-N 3.2Å; H15-Q17 PolarHBondContact O-N 2.92Å
16S55.8Low61.9Low69 Ų69117.9 Ų117.948%0.48363%0.625SS.*  trans-60.4125.5154.2510000105.1R14 M18R14-S16 PolarHBondContact O-N 2.98Å; S16-M18 PolarHBondContact O-N 2.99Å
17Q55.1Low63.6Low181 Ų181111.4 Ų111.485%0.84660%0.6SS**  trans-29.2102.5-177.6-73.1170.4-8200111H15 D19H15-Q17 PolarHBondContact O-N 2.92Å; Q17-D19 PolarHBondContact O-N 3.13Å; Q17-D19 VanDerWaalsContact O-N 3.13Å
18M55.5Low65.7Low116 Ų116102.1 Ų102.157%0.57157%0.57SS**  trans-69.2111172.5-84.6179.9139.400105.9S16 S20S16-M18 PolarHBondContact O-N 2.99Å; M18-S20 PolarHBondContact O-N 2.76Å
19D62Low67.3Low40 Ų4097.6 Ų97.621%0.21455%0.546CS..BIsolated β-bridgetrans-70.5121.7177.8-152.2-13.2000109.1Q17 S21 N25 V28 S31Q17-D19 PolarHBondContact O-N 3.13Å; Q17-D19 VanDerWaalsContact O-N 3.13Å; D19-S21 VanDerWaalsContact C-N 3.34Å; D19-S21 WeakPolarHBondContact OD1-CA 3.12Å; D19-S21 WeakPolarHBondContact OD1-CB 3.44Å; D19-S21 PolarHBondContact OD1-N 2.87Å; D19-N25 PolarHBondContact OD2-ND2 2.9Å; D19-V28 HydrophobicContact CB-CG1 3.76Å; D19-S31 PolarHBondContact O-OG 2.71Å; D19-S31 VanDerWaalsContact O-OG 3.11Å
20S65Low69.3Low117 Ų11795.5 Ų95.582%0.81852%0.518SS*.  trans-96.76.6166.9630000111.3M18M18-S20 PolarHBondContact O-N 2.76Å
21S80.6Confident71.1Confident38 Ų3886.6 Ų86.627%0.26649%0.492SS..  trans-66.8145.3172.8-169.50000110.6D19 E23D19-S21 VanDerWaalsContact C-N 3.34Å; D19-S21 WeakPolarHBondContact OD1-CA 3.12Å; D19-S21 WeakPolarHBondContact OD1-CB 3.44Å; D19-S21 PolarHBondContact OD1-N 2.87Å; S21-E23 VanDerWaalsContact OG-CB 3.32Å; S21-E23 WeakPolarHBondContact OG-CB 3.48Å; S21-E23 PolarHBondContact OG-N 2.96Å
22N86.4Confident72.7Confident129 Ų12988.7 Ų88.769%0.6949%0.487SS*.SBendtrans-79.5-3.6167-60.5-49000111.4Y37 D41N22-Y37 WeakPolarHBondContact O-CD1 2.94Å; N22-D41 WeakPolarHBondContact O-CB 3.35Å
23E92.7Very high74.6Confident85 Ų8594.2 Ų94.240%0.39749%0.492SS..SBendtrans-87.6145.7179.8-60.8173.7-173.200112.4S21 N25 Y37 D41S21-E23 VanDerWaalsContact OG-CB 3.32Å; S21-E23 WeakPolarHBondContact OG-CB 3.48Å; S21-E23 PolarHBondContact OG-N 2.96Å; E23-N25 PolarHBondContact O-N 2.94Å; E23-Y37 WeakPolarHBondContact O-CE1 3.44Å; E23-D41 WeakPolarHBondContact CA-O 3.27Å; E23-D41 HydrophobicContact CG-CB 4.42Å
24Y93.9Very high76.4Confident8 Ų896.5 Ų96.53%0.03150%0.5CS..BIsolated β-bridgetrans-79112.2168.2176.1-100.4000109.9P26 Y37 D41 I42 L44 V81 D84 Y85Y24-P26 HydrophobicContact CD1-CG 4.39Å; Y24-P26 HydrophobicContact CE1-CG 3.88Å; Y24-Y37 HydrophobicContact CD2-CD2 4.33Å; Y24-Y37 AromaticContact CD2-CE2 3.69Å; Y24-Y37 HydrophobicContact CD2-CE2 3.69Å; Y24-Y37 AromaticContact CD2-CZ 3.84Å; Y24-Y37 HydrophobicContact CG-CE2 4.41Å; Y24-D41 PolarHBondContact N-O 2.87Å; Y24-I42 HydrophobicContact CD1-CG2 4.2Å; Y24-I42 HydrophobicContact CG-CG2 4.49Å; Y24-L44 HydrophobicContact CD1-CD1 4.2Å; Y24-L44 HydrophobicContact CD1-CG 4.14Å; Y24-L44 HydrophobicContact CE1-CD1 3.72Å; Y24-L44 HydrophobicContact CE1-CD2 4.16Å; Y24-L44 HydrophobicContact CE1-CG 3.95Å; Y24-V81 HydrophobicContact CD2-CG1 3.88Å; Y24-V81 HydrophobicContact CE1-CG1 4.46Å; Y24-V81 HydrophobicContact CE2-CG1 3.62Å; Y24-V81 HydrophobicContact CG-CG1 4.41Å; Y24-D84 VanDerWaalsContact CE1-OD2 3.27Å; Y24-D84 WeakPolarHBondContact CE1-OD2 3.45Å; Y24-D84 VanDerWaalsContact CZ-OD2 3.31Å; Y24-D84 PolarHBondContact OH-OD2 2.78Å; Y24-Y85 PolarHBondContact OH-N 2.71Å
25N91.5Very high78.3Confident52 Ų5289.4 Ų89.428%0.27848%0.478SS..  trans-108.6108.7178.5-73-54.9000110.9D19 E23 G27 V28D19-N25 PolarHBondContact OD2-ND2 2.9Å; E23-N25 PolarHBondContact O-N 2.94Å; N25-G27 PolarHBondContact O-N 3.06Å; N25-V28 HydrophobicContact CB-CB 4.08Å; N25-V28 HydrophobicContact CB-CG2 3.86Å; N25-V28 WeakPolarHBondContact O-CB 3.42Å; N25-V28 PolarHBondContact O-N 3Å; N25-V28 VanDerWaalsContact O-N 3.1Å
26P91.2Very high80.4Confident69 Ų6986.2 Ų86.245%0.44848%0.48SS..THydrogen-bonded Turntrans-53.4135.2177-26.333.7000112.1Y24 V28 L44Y24-P26 HydrophobicContact CD1-CG 4.39Å; Y24-P26 HydrophobicContact CE1-CG 3.88Å; P26-V28 PolarHBondContact O-N 3.05Å; P26-L44 HydrophobicContact CG-CD2 3.93Å
27G87.6Confident82.2Confident37 Ų3785.6 Ų85.638%0.38147%0.467SS..THydrogen-bonded Turntrans82.2-5.2-179.600000115.1N25 S88N25-G27 PolarHBondContact O-N 3.06Å; G27-S88 WeakPolarHBondContact CA-O 3.49Å; G27-S88 PolarHBondContact N-OG 2.91Å
28V87.8Confident84.1Confident48 Ų4883.3 Ų83.329%0.29146%0.457SS..PPolyproline II helixtrans-102.7120.9176.3-169.90000109.6D19 N25 P26D19-V28 HydrophobicContact CB-CG1 3.76Å; N25-V28 HydrophobicContact CB-CB 4.08Å; N25-V28 HydrophobicContact CB-CG2 3.86Å; N25-V28 WeakPolarHBondContact O-CB 3.42Å; N25-V28 PolarHBondContact O-N 3Å; N25-V28 VanDerWaalsContact O-N 3.1Å; P26-V28 PolarHBondContact O-N 3.05Å
29A85.6Confident86.1Confident33 Ų3381.1 Ų81.127%0.27345%0.447SS..PPolyproline II helixtrans-72.3130.9175.200000109.7V89A29-V89 HydrophobicContact CB-CG1 4.14Å
30P84.2Confident87.7Confident34 Ų3483 Ų8322%0.22146%0.462CS..BIsolated β-bridgetrans-62.6142.917826.9-34.2000110.1Q32 I35P30-Q32 PolarHBondContact O-N 3.41Å; P30-I35 HydrophobicContact CB-CB 4.31Å; P30-I35 HydrophobicContact CB-CD1 3.81Å; P30-I35 HydrophobicContact CB-CG2 4.05Å; P30-I35 HydrophobicContact CG-CG2 4.2Å
31S79.7Confident89.1Confident48 Ų4878.8 Ų78.834%0.33643%0.431SS..SBendtrans-64.5-21.5179.357.20000113.1D19D19-S31 PolarHBondContact O-OG 2.71Å; D19-S31 VanDerWaalsContact O-OG 3.11Å
32Q82.5Confident89.9Confident129 Ų12977.6 Ų77.660%0.60342%0.421SS*.SBendtrans-114149.3179.3-60.6-178.2-10.500111.2P30 L34P30-Q32 PolarHBondContact O-N 3.41Å; Q32-L34 VanDerWaalsContact C-N 3.31Å; Q32-L34 WeakPolarHBondContact CB-O 3.43Å; Q32-L34 PolarHBondContact O-N 2.86Å
33R82.5Confident90.4Very high254 Ų25476.8 Ų76.896%0.95841%0.413SS*.SBendtrans-67.2-31.6178-68.9-174.1177.8-151.3-0.5113.3
34L87.4Confident90.6Very high151 Ų15173.4 Ų73.479%0.79140%0.398SS*.SBendtrans-116.9127.1175.9-62.8176.9000106.8Q32Q32-L34 VanDerWaalsContact C-N 3.31Å; Q32-L34 WeakPolarHBondContact CB-O 3.43Å; Q32-L34 PolarHBondContact O-N 2.86Å
35I88.5Confident90.8Very high76 Ų7677.5 Ų77.539%0.3943%0.425SS..  trans-138.1148.7177.8-169.6156.2000109P30 Y37P30-I35 HydrophobicContact CB-CB 4.31Å; P30-I35 HydrophobicContact CB-CD1 3.81Å; P30-I35 HydrophobicContact CB-CG2 4.05Å; P30-I35 HydrophobicContact CG-CG2 4.2Å; I35-Y37 HydrophobicContact CD1-CE1 3.79Å; I35-Y37 HydrophobicContact CD1-CE2 4.31Å; I35-Y37 WeakPolarHBondContact CD1-OH 3.49Å; I35-Y37 HydrophobicContact CG1-CE1 4.15Å; I35-Y37 HydrophobicContact CG1-CE2 4.15Å; I35-Y37 HydrophobicContact CG2-CD2 4.49Å; I35-Y37 HydrophobicContact CG2-CE2 3.73Å
36A92Very high91.1Very high96 Ų9679.4 Ų79.479%0.79343%0.432SS*.  trans-126.9138172.200000108.1
37Y94.5Very high91.4Very high56 Ų5676.1 Ų76.122%0.2241%0.411CS..  trans-115.1143.8177.4-64-72.4000109N22 E23 Y24 I35 I42N22-Y37 WeakPolarHBondContact O-CD1 2.94Å; E23-Y37 WeakPolarHBondContact O-CE1 3.44Å; Y24-Y37 HydrophobicContact CD2-CD2 4.33Å; Y24-Y37 AromaticContact CD2-CE2 3.69Å; Y24-Y37 HydrophobicContact CD2-CE2 3.69Å; Y24-Y37 AromaticContact CD2-CZ 3.84Å; Y24-Y37 HydrophobicContact CG-CE2 4.41Å; I35-Y37 HydrophobicContact CD1-CE1 3.79Å; I35-Y37 HydrophobicContact CD1-CE2 4.31Å; I35-Y37 WeakPolarHBondContact CD1-OH 3.49Å; I35-Y37 HydrophobicContact CG1-CE1 4.15Å; I35-Y37 HydrophobicContact CG1-CE2 4.15Å; I35-Y37 HydrophobicContact CG2-CD2 4.49Å; I35-Y37 HydrophobicContact CG2-CE2 3.73Å; Y37-I42 HydrophobicContact CG-CG1 4.38Å
38Q95.4Very high91.9Very high134 Ų13477.3 Ų77.363%0.62641%0.407SS*.  trans-77.4151.6164.8-46.5-171.2-79.500108.6C40 D41Q38-C40 PolarHBondContact O-N 3.22Å; Q38-D41 WeakPolarHBondContact CB-OD2 3.5Å; Q38-D41 WeakPolarHBondContact CG-OD2 3.31Å; Q38-D41 PolarHBondContact N-OD2 3.45Å; Q38-D41 PolarHBondContact O-N 3.13Å
39L96.5Very high92.4Very high69 Ų6981.3 Ų81.336%0.36142%0.422SS..G310 helixtrans-62.1-26.3-177.9-64.5178000113.1D41 Q48 V51 L69 L77L39-D41 VanDerWaalsContact C-N 3.28Å; L39-Q48 PolarHBondContact O-NE2 3.07Å; L39-V51 HydrophobicContact CB-CG2 4.48Å; L39-V51 HydrophobicContact CD1-CG1 4.49Å; L39-V51 HydrophobicContact CD1-CG2 4.07Å; L39-V51 HydrophobicContact CD2-CG2 4.33Å; L39-L69 HydrophobicContact CD1-CD1 3.98Å; L39-L77 HydrophobicContact CD2-CD1 3.84Å
40C95.5Very high93Very high79 Ų7981.1 Ų81.153%0.53442%0.416SS..G310 helixtrans-72-21.1174.653.60000113.5Q38 I42 H43Q38-C40 PolarHBondContact O-N 3.22Å; C40-I42 VanDerWaalsContact C-N 3.34Å; C40-H43 PolarHBondContact O-CE1 3.11Å
41D96.3Very high93.6Very high30 Ų3080.4 Ų80.416%0.1641%0.411CS..G310 helixtrans-94.46.3-176.3-47.2-32.9000112N22 E23 Y24 Q38 L39N22-D41 WeakPolarHBondContact O-CB 3.35Å; E23-D41 WeakPolarHBondContact CA-O 3.27Å; E23-D41 HydrophobicContact CG-CB 4.42Å; Y24-D41 PolarHBondContact N-O 2.87Å; Q38-D41 WeakPolarHBondContact CB-OD2 3.5Å; Q38-D41 WeakPolarHBondContact CG-OD2 3.31Å; Q38-D41 PolarHBondContact N-OD2 3.45Å; Q38-D41 PolarHBondContact O-N 3.13Å; L39-D41 VanDerWaalsContact C-N 3.28Å
42I96.9Very high94.4Very high12 Ų1283.9 Ų83.96%0.06242%0.424CS..BIsolated β-bridgetrans-112.799.2179.2-53.9168.7000109.3Y24 Y37 C40 L44 V47 Q48 V81Y24-I42 HydrophobicContact CD1-CG2 4.2Å; Y24-I42 HydrophobicContact CG-CG2 4.49Å; Y37-I42 HydrophobicContact CG-CG1 4.38Å; C40-I42 VanDerWaalsContact C-N 3.34Å; I42-L44 VanDerWaalsContact C-N 3.3Å; I42-L44 HydrophobicContact CG2-CB 4.32Å; I42-L44 HydrophobicContact CG2-CD1 4.4Å; I42-L44 HydrophobicContact CG2-CG 4.23Å; I42-L44 PolarHBondContact O-N 2.87Å; I42-V47 HydrophobicContact CB-CG1 4.02Å; I42-V47 HydrophobicContact CG2-CB 4.04Å; I42-V47 HydrophobicContact CG2-CG1 3.79Å; I42-V47 HydrophobicContact CG2-CG2 3.92Å; I42-Q48 PolarHBondContact O-NE2 3.4Å; I42-V81 HydrophobicContact CD1-CG2 4.23Å; I42-V81 HydrophobicContact CG2-CG2 4.07Å
43H96.3Very high95.1Very high112 Ų11281.8 Ų81.852%0.51942%0.42SS..  trans-89.618.5-173.9-57.4-63000114.9C40C40-H43 PolarHBondContact O-CE1 3.11Å
44L97.3Very high95.8Very high14 Ų1472.4 Ų72.47%0.07339%0.386CS..  trans-66.5127.7172.7-66.5179.9000110.2Y24 P26 I42 E46 V47 Q48 I80 V81 D84Y24-L44 HydrophobicContact CD1-CD1 4.2Å; Y24-L44 HydrophobicContact CD1-CG 4.14Å; Y24-L44 HydrophobicContact CE1-CD1 3.72Å; Y24-L44 HydrophobicContact CE1-CD2 4.16Å; Y24-L44 HydrophobicContact CE1-CG 3.95Å; P26-L44 HydrophobicContact CG-CD2 3.93Å; I42-L44 VanDerWaalsContact C-N 3.3Å; I42-L44 HydrophobicContact CG2-CB 4.32Å; I42-L44 HydrophobicContact CG2-CD1 4.4Å; I42-L44 HydrophobicContact CG2-CG 4.23Å; I42-L44 PolarHBondContact O-N 2.87Å; L44-E46 VanDerWaalsContact C-N 3.29Å; L44-E46 PolarHBondContact O-N 2.89Å; L44-V47 HydrophobicContact CB-CB 4.08Å; L44-V47 HydrophobicContact CB-CG2 3.97Å; L44-V47 HydrophobicContact CD1-CG2 4.27Å; L44-V47 WeakPolarHBondContact O-CB 3.33Å; L44-V47 PolarHBondContact O-N 3.1Å; L44-Q48 PolarHBondContact O-N 2.72Å; L44-I80 HydrophobicContact CD1-CG2 4.18Å; L44-V81 HydrophobicContact CD1-CG2 4.39Å; L44-D84 HydrophobicContact CD1-CB 3.91Å
45P97.6Very high96.3Very high94 Ų9472.4 Ų72.461%0.6138%0.376SS*.Hα-helixtrans-54.1-42.3-178.8-28.235.7000113.7V47 Q48 E49P45-V47 VanDerWaalsContact C-N 3.29Å; P45-V47 PolarHBondContact O-N 3.4Å; P45-Q48 PolarHBondContact O-N 3.3Å; P45-E49 WeakPolarHBondContact O-CB 3.17Å; P45-E49 PolarHBondContact O-N 3.28Å
46E97.5Very high96.6Very high92 Ų9270 Ų7043%0.4336%0.364SS..Hα-helixtrans-66.9-31.8-179.4-55.690.6154.400112L44 L50 I80L44-E46 VanDerWaalsContact C-N 3.29Å; L44-E46 PolarHBondContact O-N 2.89Å; E46-L50 WeakPolarHBondContact O-CB 3.49Å; E46-L50 PolarHBondContact O-N 2.84Å; E46-L50 VanDerWaalsContact O-N 3.1Å; E46-I80 HydrophobicContact CB-CD1 4.33Å; E46-I80 HydrophobicContact CB-CG2 4.22Å
47V98.2Very high96.7Very high0 Ų071.2 Ų71.20%036%0.362CS..Hα-helixtrans-69.1-48.5173.5163.60000110.1I42 L44 P45 E49 L50 V51 L77 I80 V81I42-V47 HydrophobicContact CB-CG1 4.02Å; I42-V47 HydrophobicContact CG2-CB 4.04Å; I42-V47 HydrophobicContact CG2-CG1 3.79Å; I42-V47 HydrophobicContact CG2-CG2 3.92Å; L44-V47 HydrophobicContact CB-CB 4.08Å; L44-V47 HydrophobicContact CB-CG2 3.97Å; L44-V47 HydrophobicContact CD1-CG2 4.27Å; L44-V47 WeakPolarHBondContact O-CB 3.33Å; L44-V47 PolarHBondContact O-N 3.1Å; P45-V47 VanDerWaalsContact C-N 3.29Å; P45-V47 PolarHBondContact O-N 3.4Å; V47-E49 PolarHBondContact O-N 2.82Å; V47-L50 PolarHBondContact O-N 3.29Å; V47-V51 HydrophobicContact CG1-CG2 4.38Å; V47-V51 VanDerWaalsContact O-CG2 3.3Å; V47-V51 WeakPolarHBondContact O-CG2 3.41Å; V47-V51 PolarHBondContact O-N 3.2Å; V47-L77 HydrophobicContact CB-CD2 4.15Å; V47-L77 HydrophobicContact CG1-CD2 3.85Å; V47-L77 HydrophobicContact CG2-CD2 4.09Å; V47-I80 HydrophobicContact CG2-CB 4.28Å; V47-I80 HydrophobicContact CG2-CG2 3.76Å; V47-V81 HydrophobicContact CG2-CG2 4.16Å
48Q97.4Very high96.7Very high63 Ų6375.2 Ų75.229%0.29439%0.388SS..Hα-helixtrans-62.3-44.8-179.1-66.4-59.9-36.300111.7L39 I42 L44 P45 L50 V51 M52L39-Q48 PolarHBondContact O-NE2 3.07Å; I42-Q48 PolarHBondContact O-NE2 3.4Å; L44-Q48 PolarHBondContact O-N 2.72Å; P45-Q48 PolarHBondContact O-N 3.3Å; Q48-L50 PolarHBondContact O-N 3.14Å; Q48-V51 PolarHBondContact O-N 2.78Å; Q48-M52 VanDerWaalsContact O-CG 3.3Å; Q48-M52 WeakPolarHBondContact O-CG 3.36Å; Q48-M52 PolarHBondContact O-N 2.96Å
49E98.1Very high96.6Very high131 Ų13172.2 Ų72.261%0.61237%0.37SS*.Hα-helixtrans-59.8-45.8174.9-177.6177.7-16900111.7P45 V47 M52 T53P45-E49 WeakPolarHBondContact O-CB 3.17Å; P45-E49 PolarHBondContact O-N 3.28Å; V47-E49 PolarHBondContact O-N 2.82Å; E49-M52 PolarHBondContact O-N 2.94Å; E49-T53 HydrophobicContact CG-CG2 4.37Å; E49-T53 WeakPolarHBondContact O-CB 3.41Å; E49-T53 WeakPolarHBondContact O-CG2 3.29Å; E49-T53 PolarHBondContact O-N 3.44Å; E49-T53 PolarHBondContact O-OG1 3.37Å
50L98.2Very high96.6Very high29 Ų2975.2 Ų75.215%0.15239%0.392CS..Hα-helixtrans-66.4-41.8-178.7-170.864.7000111.8E46 V47 Q48 M52 T53 K54 T73 K76 L77 I80E46-L50 WeakPolarHBondContact O-CB 3.49Å; E46-L50 PolarHBondContact O-N 2.84Å; E46-L50 VanDerWaalsContact O-N 3.1Å; V47-L50 PolarHBondContact O-N 3.29Å; Q48-L50 PolarHBondContact O-N 3.14Å; L50-M52 VanDerWaalsContact C-N 3.34Å; L50-M52 PolarHBondContact O-N 3.11Å; L50-T53 PolarHBondContact O-N 3.44Å; L50-T53 PolarHBondContact O-OG1 3.43Å; L50-K54 HydrophobicContact CD1-CG 3.56Å; L50-K54 HydrophobicContact CG-CG 4.18Å; L50-K54 WeakPolarHBondContact O-CB 3.38Å; L50-K54 WeakPolarHBondContact O-CG 3.32Å; L50-K54 PolarHBondContact O-N 3.31Å; L50-T73 HydrophobicContact CD2-CG2 4.25Å; L50-T73 HydrophobicContact CG-CG2 4.04Å; L50-K76 HydrophobicContact CD2-CB 3.81Å; L50-L77 HydrophobicContact CB-CD2 4.14Å; L50-L77 HydrophobicContact CD2-CD2 3.82Å; L50-L77 HydrophobicContact CD2-CG 3.96Å; L50-L77 HydrophobicContact CG-CD2 4.28Å; L50-I80 HydrophobicContact CD2-CD1 3.88Å
51V97.5Very high96.7Very high19 Ų1978.4 Ų78.412%0.11540%0.399CS..Hα-helixtrans-61.4-43.1175.6173.10000111L39 V47 Q48 R55 L69 L77L39-V51 HydrophobicContact CB-CG2 4.48Å; L39-V51 HydrophobicContact CD1-CG1 4.49Å; L39-V51 HydrophobicContact CD1-CG2 4.07Å; L39-V51 HydrophobicContact CD2-CG2 4.33Å; V47-V51 HydrophobicContact CG1-CG2 4.38Å; V47-V51 VanDerWaalsContact O-CG2 3.3Å; V47-V51 WeakPolarHBondContact O-CG2 3.41Å; V47-V51 PolarHBondContact O-N 3.2Å; Q48-V51 PolarHBondContact O-N 2.78Å; V51-R55 WeakPolarHBondContact O-CB 3.43Å; V51-R55 PolarHBondContact O-N 2.82Å; V51-L69 HydrophobicContact CG1-CD2 4.38Å; V51-L77 HydrophobicContact CG2-CD1 3.99Å; V51-L77 HydrophobicContact CG2-CD2 3.99Å
52M96.3Very high96.7Very high121 Ų12179.7 Ų79.760%0.59641%0.413SS*.Hα-helixtrans-66.5-44.2179.3-71.1-59.2117.500112.5Q48 E49 L50Q48-M52 VanDerWaalsContact O-CG 3.3Å; Q48-M52 WeakPolarHBondContact O-CG 3.36Å; Q48-M52 PolarHBondContact O-N 2.96Å; E49-M52 PolarHBondContact O-N 2.94Å; L50-M52 VanDerWaalsContact C-N 3.34Å; L50-M52 PolarHBondContact O-N 3.11Å
53T97.6Very high96.7Very high86 Ų8681.3 Ų81.353%0.52842%0.422SS..Hα-helixtrans-78.2-23.3-175.654.40000113.8E49 L50E49-T53 HydrophobicContact CG-CG2 4.37Å; E49-T53 WeakPolarHBondContact O-CB 3.41Å; E49-T53 WeakPolarHBondContact O-CG2 3.29Å; E49-T53 PolarHBondContact O-N 3.44Å; E49-T53 PolarHBondContact O-OG1 3.37Å; L50-T53 PolarHBondContact O-N 3.44Å; L50-T53 PolarHBondContact O-OG1 3.43Å
54K97.8Very high96.7Very high56 Ų5681.8 Ų81.824%0.24344%0.435CS..THydrogen-bonded Turntrans-106.48-176.4-62.1-71.4166.2-165.20114.7L50 V56 L69 E70 T73L50-K54 HydrophobicContact CD1-CG 3.56Å; L50-K54 HydrophobicContact CG-CG 4.18Å; L50-K54 WeakPolarHBondContact O-CB 3.38Å; L50-K54 WeakPolarHBondContact O-CG 3.32Å; L50-K54 PolarHBondContact O-N 3.31Å; K54-V56 PolarHBondContact O-N 2.54Å; K54-L69 CarbonylContact O-C 3.57Å; K54-L69 WeakPolarHBondContact O-CA 3.39Å; K54-E70 HydrophobicContact CD-CB 4.42Å; K54-E70 HydrophobicContact CD-CG 4.36Å; K54-E70 WeakPolarHBondContact CD-OE2 3.19Å; K54-E70 WeakPolarHBondContact CE-OE2 3.33Å; K54-E70 IonicContact NZ-OE1 3.54Å; K54-E70 IonicContact NZ-OE2 3.78Å; K54-E70 PolarHBondContact NZ-OE2 3.5Å; K54-E70 PolarHBondContact O-N 3.4Å; K54-T73 HydrophobicContact CB-CG2 3.61Å; K54-T73 HydrophobicContact CG-CG2 4Å
55R96.7Very high96.6Very high152 Ų15287.8 Ų87.857%0.57447%0.467SS*.BIsolated β-bridgetrans-70.9126.3174.2-173.3175.1179.2175.7-0.1110.7V51 T57 W68V51-R55 WeakPolarHBondContact O-CB 3.43Å; V51-R55 PolarHBondContact O-N 2.82Å; R55-T57 HydrophobicContact CG-CG2 4.47Å; R55-T57 PolarHBondContact O-N 3.4Å; R55-W68 WeakPolarHBondContact CA-O 3.48Å
56V96.2Very high96.6Very high25 Ų2583.8 Ų83.815%0.15244%0.442CS..  trans-88.2105.9175.5-177.50000108.6K54 N58 R59 W68 E70K54-V56 PolarHBondContact O-N 2.54Å; V56-N58 WeakPolarHBondContact CG1-OD1 3.43Å; V56-R59 HydrophobicContact CG1-CB 4.02Å; V56-W68 PolarHBondContact N-O 3.21Å; V56-E70 HydrophobicContact CG2-CB 4.47Å; V56-E70 HydrophobicContact CG2-CG 3.81Å
57T93.7Very high96.5Very high122 Ų12280.6 Ų80.675%0.74843%0.433SS*.SBendtrans-88.4-16.2-173.354.80000114.2R55R55-T57 HydrophobicContact CG-CG2 4.47Å; R55-T57 PolarHBondContact O-N 3.4Å
58N94.6Very high96.4Very high140 Ų14086.1 Ų86.175%0.74945%0.454SS*.SBendtrans-96.45.9-176.467.3-25.9000114V56V56-N58 WeakPolarHBondContact CG1-OD1 3.43Å
59R92.8Very high96.5Very high71 Ų7183.6 Ų83.627%0.26844%0.442SS..  trans-84.6145178-158.9-176.3-80.3166.7-14.9109.8V56 E61 G67 W68V56-R59 HydrophobicContact CG1-CB 4.02Å; R59-E61 WeakPolarHBondContact CD-O 3.44Å; R59-E61 WeakPolarHBondContact CG-O 3.33Å; R59-G67 PolarHBondContact NH1-O 2.98Å; R59-W68 HydrophobicContact CB-CE3 4.28Å; R59-W68 HydrophobicContact CB-CZ3 3.92Å; R59-W68 HydrophobicContact CG-CZ3 4.49Å; R59-W68 WeakPolarHBondContact O-CZ3 3.27Å
60T96.4Very high96.4Very high132 Ų13281.1 Ų81.181%0.8143%0.431SS*.SBendtrans-93.2-22.2176.951.10000113
61E97Very high96.4Very high146 Ų14684.6 Ų84.668%0.68246%0.455SS*.SBendtrans-134.2156.4-176.3-64.5178.3-167.100110.2R59R59-E61 WeakPolarHBondContact CD-O 3.44Å; R59-E61 WeakPolarHBondContact CG-O 3.33Å
62A96.6Very high96.4Very high56 Ų5685.2 Ų85.246%0.46347%0.465SS..  trans-76.1138.8175.300000110.8W68A62-W68 HydrophobicContact CB-CZ2 4.19Å
63D97Very high96.5Very high47 Ų4779.5 Ų79.525%0.25144%0.437SS..BIsolated β-bridgetrans-70.1138.2169.5177.6-77.4000109.7N65 C66 G67D63-N65 PolarHBondContact O-N 2.72Å; D63-N65 VanDerWaalsContact O-N 3.14Å; D63-N65 WeakPolarHBondContact OD1-CA 3.26Å; D63-N65 WeakPolarHBondContact OD1-CB 3.47Å; D63-N65 PolarHBondContact OD1-N 2.98Å; D63-C66 PolarHBondContact OD1-N 3.45Å; D63-C66 PolarHBondContact OD1-SG 3.01Å; D63-C66 VanDerWaalsContact OD1-SG 3.4Å; D63-G67 PolarHBondContact N-O 2.9Å; D63-G67 VanDerWaalsContact O-CA 3.24Å; D63-G67 WeakPolarHBondContact O-CA 3.44Å; D63-G67 PolarHBondContact O-N 3.39Å
64P96.9Very high96.5Very high121 Ų12177.6 Ų77.679%0.78643%0.425SS*.THydrogen-bonded Turntrans-63.3-20.7-175.524-34.9000114.5
65N95.1Very high96.5Very high140 Ų14078.8 Ų78.875%0.74943%0.432SS*.THydrogen-bonded Turntrans-109-38.3-176-57.5-61.1000112.8D63D63-N65 PolarHBondContact O-N 2.72Å; D63-N65 VanDerWaalsContact O-N 3.14Å; D63-N65 WeakPolarHBondContact OD1-CA 3.26Å; D63-N65 WeakPolarHBondContact OD1-CB 3.47Å; D63-N65 PolarHBondContact OD1-N 2.98Å
66C96.2Very high96.5Very high11 Ų1177.1 Ų77.17%0.07443%0.429CS..THydrogen-bonded Turntrans-115.74-17765.30000114.8D63 W68 L69 V74D63-C66 PolarHBondContact OD1-N 3.45Å; D63-C66 PolarHBondContact OD1-SG 3.01Å; D63-C66 VanDerWaalsContact OD1-SG 3.4Å; C66-W68 PolarHBondContact O-N 3.38Å; C66-W68 VanDerWaalsContact O-N 3.13Å; C66-L69 WeakPolarHBondContact O-CB 3.44Å; C66-L69 PolarHBondContact O-N 3.39Å; C66-L69 PolarHBondContact SG-O 2.97Å; C66-V74 HydrophobicContact CB-CG2 4.24Å
67G96.2Very high96.6Very high24 Ų2476.3 Ų76.325%0.24742%0.424CS..BIsolated β-bridgetrans60.5-115.1176.400000112R59 D63R59-G67 PolarHBondContact NH1-O 2.98Å; D63-G67 PolarHBondContact N-O 2.9Å; D63-G67 VanDerWaalsContact O-CA 3.24Å; D63-G67 WeakPolarHBondContact O-CA 3.44Å; D63-G67 PolarHBondContact O-N 3.39Å
68W97.2Very high96.8Very high117 Ų11776.8 Ų76.844%0.44341%0.411SS..THydrogen-bonded Turntrans-102.113.2179.3-63.7103000113.7R55 V56 R59 A62 C66R55-W68 WeakPolarHBondContact CA-O 3.48Å; V56-W68 PolarHBondContact N-O 3.21Å; R59-W68 HydrophobicContact CB-CE3 4.28Å; R59-W68 HydrophobicContact CB-CZ3 3.92Å; R59-W68 HydrophobicContact CG-CZ3 4.49Å; R59-W68 WeakPolarHBondContact O-CZ3 3.27Å; A62-W68 HydrophobicContact CB-CZ2 4.19Å; C66-W68 PolarHBondContact O-N 3.38Å; C66-W68 VanDerWaalsContact O-N 3.13Å
69L97.7Very high97Very high9 Ų974.2 Ų74.25%0.04740%0.398CS..BIsolated β-bridgetrans-103.7160.2-179.6-58.7173.4000111.1L39 V51 K54 C66 T73 V74 L77L39-L69 HydrophobicContact CD1-CD1 3.98Å; V51-L69 HydrophobicContact CG1-CD2 4.38Å; K54-L69 CarbonylContact O-C 3.57Å; K54-L69 WeakPolarHBondContact O-CA 3.39Å; C66-L69 WeakPolarHBondContact O-CB 3.44Å; C66-L69 PolarHBondContact O-N 3.39Å; C66-L69 PolarHBondContact SG-O 2.97Å; L69-T73 HydrophobicContact CB-CG2 4.14Å; L69-T73 HydrophobicContact CD1-CG2 3.94Å; L69-T73 HydrophobicContact CD2-CG2 4.43Å; L69-T73 HydrophobicContact CG-CG2 4.4Å; L69-V74 HydrophobicContact CD1-CG2 4.2Å; L69-L77 HydrophobicContact CD1-CD1 3.74Å
70E97.5Very high97.2Very high80 Ų8073 Ų7337%0.37440%0.396SS..PPolyproline II helixtrans-58.6142.3167.3-70.7179.1-179.200110.2K54 V56 G72 T73K54-E70 HydrophobicContact CD-CB 4.42Å; K54-E70 HydrophobicContact CD-CG 4.36Å; K54-E70 WeakPolarHBondContact CD-OE2 3.19Å; K54-E70 WeakPolarHBondContact CE-OE2 3.33Å; K54-E70 IonicContact NZ-OE1 3.54Å; K54-E70 IonicContact NZ-OE2 3.78Å; K54-E70 PolarHBondContact NZ-OE2 3.5Å; K54-E70 PolarHBondContact O-N 3.4Å; V56-E70 HydrophobicContact CG2-CB 4.47Å; V56-E70 HydrophobicContact CG2-CG 3.81Å; E70-G72 PolarHBondContact O-N 3.49Å; E70-T73 WeakPolarHBondContact O-CB 3.22Å; E70-T73 PolarHBondContact O-N 3.19Å; E70-T73 VanDerWaalsContact O-N 3.1Å; E70-T73 PolarHBondContact O-OG1 3.27Å
71P97.2Very high97.2Very high102 Ų10267.8 Ų67.866%0.66236%0.364SS*.THydrogen-bonded Turntrans-51.1138.2172.8-27.335.3000112.4T73P71-T73 VanDerWaalsContact C-N 3.3Å; P71-T73 PolarHBondContact O-N 2.9Å
72G97.6Very high97.1Very high31 Ų3166.1 Ų66.132%0.3236%0.355SS..THydrogen-bonded Turntrans83.3-5.4-176.500000115.2E70 E75 K76E70-G72 PolarHBondContact O-N 3.49Å; G72-E75 WeakPolarHBondContact CA-OE2 3.43Å; G72-K76 WeakPolarHBondContact O-CG 3.43Å; G72-K76 PolarHBondContact O-N 3.14Å
73T98Very high97Very high1 Ų167.5 Ų67.51%0.00636%0.357CS..Hα-helixtrans-72.9-38.6178.6-54.80000111.8L50 K54 L69 E70 P71 E75 K76 L77L50-T73 HydrophobicContact CD2-CG2 4.25Å; L50-T73 HydrophobicContact CG-CG2 4.04Å; K54-T73 HydrophobicContact CB-CG2 3.61Å; K54-T73 HydrophobicContact CG-CG2 4Å; L69-T73 HydrophobicContact CB-CG2 4.14Å; L69-T73 HydrophobicContact CD1-CG2 3.94Å; L69-T73 HydrophobicContact CD2-CG2 4.43Å; L69-T73 HydrophobicContact CG-CG2 4.4Å; E70-T73 WeakPolarHBondContact O-CB 3.22Å; E70-T73 PolarHBondContact O-N 3.19Å; E70-T73 VanDerWaalsContact O-N 3.1Å; E70-T73 PolarHBondContact O-OG1 3.27Å; P71-T73 VanDerWaalsContact C-N 3.3Å; P71-T73 PolarHBondContact O-N 2.9Å; T73-E75 VanDerWaalsContact C-N 3.28Å; T73-E75 PolarHBondContact O-N 3.26Å; T73-K76 PolarHBondContact O-N 2.96Å; T73-L77 HydrophobicContact CG2-CD1 4.12Å; T73-L77 HydrophobicContact CG2-CG 4.37Å; T73-L77 WeakPolarHBondContact O-CG 3.37Å; T73-L77 PolarHBondContact O-N 3.09Å
74V97.7Very high97Very high47 Ų4765.8 Ų65.829%0.28535%0.348SS..Hα-helixtrans-62.2-38.5179.2178.40000111C66 L69 L77 R78C66-V74 HydrophobicContact CB-CG2 4.24Å; L69-V74 HydrophobicContact CD1-CG2 4.2Å; V74-L77 PolarHBondContact O-N 2.91Å; V74-R78 WeakPolarHBondContact O-CB 3.45Å; V74-R78 PolarHBondContact O-N 2.99Å
75E97.9Very high96.8Very high81 Ų8164.1 Ų64.138%0.37933%0.327SS..Hα-helixtrans-58.7-49.3173.9-67.645.8-11800111.2G72 T73 L77 R78 D79G72-E75 WeakPolarHBondContact CA-OE2 3.43Å; T73-E75 VanDerWaalsContact C-N 3.28Å; T73-E75 PolarHBondContact O-N 3.26Å; E75-L77 PolarHBondContact O-N 2.67Å; E75-R78 VanDerWaalsContact CG-NH2 3.27Å; E75-R78 WeakPolarHBondContact O-CB 3.2Å; E75-R78 PolarHBondContact O-N 3.17Å; E75-R78 IonicContact OE1-CZ 2.67Å; E75-R78 IonicContact OE1-NH1 2.77Å; E75-R78 IonicContact OE1-NH2 3.65Å; E75-R78 PolarHBondContact OE1-NH2 2.79Å; E75-D79 PolarHBondContact O-N 3.45Å
76K98.2Very high96.6Very high116 Ų11664.6 Ų64.650%0.50432%0.322SS..Hα-helixtrans-63-41.9179.2-68.7173.1-176.1176.40111.8L50 G72 T73 R78 D79 I80L50-K76 HydrophobicContact CD2-CB 3.81Å; G72-K76 WeakPolarHBondContact O-CG 3.43Å; G72-K76 PolarHBondContact O-N 3.14Å; T73-K76 PolarHBondContact O-N 2.96Å; K76-R78 PolarHBondContact O-N 3.13Å; K76-D79 PolarHBondContact O-N 3.18Å; K76-I80 WeakPolarHBondContact O-CG1 3.24Å; K76-I80 PolarHBondContact O-N 2.94Å
77L98.3Very high96.4Very high9 Ų972.2 Ų72.25%0.04735%0.349CS..Hα-helixtrans-60.2-45.5175.4-71.2168.6000111.5L39 V47 L50 V51 L69 T73 V74 E75 D79 I80 V81L39-L77 HydrophobicContact CD2-CD1 3.84Å; V47-L77 HydrophobicContact CB-CD2 4.15Å; V47-L77 HydrophobicContact CG1-CD2 3.85Å; V47-L77 HydrophobicContact CG2-CD2 4.09Å; L50-L77 HydrophobicContact CB-CD2 4.14Å; L50-L77 HydrophobicContact CD2-CD2 3.82Å; L50-L77 HydrophobicContact CD2-CG 3.96Å; L50-L77 HydrophobicContact CG-CD2 4.28Å; V51-L77 HydrophobicContact CG2-CD1 3.99Å; V51-L77 HydrophobicContact CG2-CD2 3.99Å; L69-L77 HydrophobicContact CD1-CD1 3.74Å; T73-L77 HydrophobicContact CG2-CD1 4.12Å; T73-L77 HydrophobicContact CG2-CG 4.37Å; T73-L77 WeakPolarHBondContact O-CG 3.37Å; T73-L77 PolarHBondContact O-N 3.09Å; V74-L77 PolarHBondContact O-N 2.91Å; E75-L77 PolarHBondContact O-N 2.67Å; L77-D79 VanDerWaalsContact C-N 3.29Å; L77-D79 PolarHBondContact O-N 3.42Å; L77-I80 PolarHBondContact O-N 3.47Å; L77-V81 WeakPolarHBondContact O-CG2 3.3Å; L77-V81 PolarHBondContact O-N 3.4Å; L77-V81 VanDerWaalsContact O-N 3.09Å
78R97.3Very high96Very high131 Ų13172.6 Ų72.649%0.49435%0.349SS..Hα-helixtrans-59.7-39.9175.2173.4173.854.7-123.5-0.9111.8V74 E75 K76 K82V74-R78 WeakPolarHBondContact O-CB 3.45Å; V74-R78 PolarHBondContact O-N 2.99Å; E75-R78 VanDerWaalsContact CG-NH2 3.27Å; E75-R78 WeakPolarHBondContact O-CB 3.2Å; E75-R78 PolarHBondContact O-N 3.17Å; E75-R78 IonicContact OE1-CZ 2.67Å; E75-R78 IonicContact OE1-NH1 2.77Å; E75-R78 IonicContact OE1-NH2 3.65Å; E75-R78 PolarHBondContact OE1-NH2 2.79Å; K76-R78 PolarHBondContact O-N 3.13Å; R78-K82 WeakPolarHBondContact O-CB 3.37Å; R78-K82 PolarHBondContact O-N 3.13Å
79D97.9Very high95.4Very high86 Ų8668 Ų6846%0.4633%0.333SS..Hα-helixtrans-68.7-37.3177.8-72.7-23.1000112.8E75 K76 L77 T83E75-D79 PolarHBondContact O-N 3.45Å; K76-D79 PolarHBondContact O-N 3.18Å; L77-D79 VanDerWaalsContact C-N 3.29Å; L77-D79 PolarHBondContact O-N 3.42Å; D79-T83 VanDerWaalsContact O-CB 3.26Å; D79-T83 WeakPolarHBondContact O-CB 3.36Å; D79-T83 PolarHBondContact O-N 3.25Å; D79-T83 PolarHBondContact O-OG1 2.87Å
80I97.9Very high94.4Very high46 Ų4672.4 Ų72.424%0.23636%0.362CS..Hα-helixtrans-60.5-54.3173.9-67.6164.2000110.1L44 E46 V47 L50 K76 L77 K82 T83 D84L44-I80 HydrophobicContact CD1-CG2 4.18Å; E46-I80 HydrophobicContact CB-CD1 4.33Å; E46-I80 HydrophobicContact CB-CG2 4.22Å; V47-I80 HydrophobicContact CG2-CB 4.28Å; V47-I80 HydrophobicContact CG2-CG2 3.76Å; L50-I80 HydrophobicContact CD2-CD1 3.88Å; K76-I80 WeakPolarHBondContact O-CG1 3.24Å; K76-I80 PolarHBondContact O-N 2.94Å; L77-I80 PolarHBondContact O-N 3.47Å; I80-K82 VanDerWaalsContact C-N 3.34Å; I80-K82 PolarHBondContact O-N 3.39Å; I80-T83 PolarHBondContact O-N 2.87Å; I80-D84 PolarHBondContact O-N 3.1Å
81V96.5Very high93.1Very high23 Ų2373.2 Ų73.214%0.13938%0.383CS..Hα-helixtrans-61.4-42.6-179.6176.80000111.1Y24 I42 L44 V47 L77 T83 D84 Y85Y24-V81 HydrophobicContact CD2-CG1 3.88Å; Y24-V81 HydrophobicContact CE1-CG1 4.46Å; Y24-V81 HydrophobicContact CE2-CG1 3.62Å; Y24-V81 HydrophobicContact CG-CG1 4.41Å; I42-V81 HydrophobicContact CD1-CG2 4.23Å; I42-V81 HydrophobicContact CG2-CG2 4.07Å; L44-V81 HydrophobicContact CD1-CG2 4.39Å; V47-V81 HydrophobicContact CG2-CG2 4.16Å; L77-V81 WeakPolarHBondContact O-CG2 3.3Å; L77-V81 PolarHBondContact O-N 3.4Å; L77-V81 VanDerWaalsContact O-N 3.09Å; V81-T83 VanDerWaalsContact C-N 3.34Å; V81-T83 PolarHBondContact O-N 2.97Å; V81-D84 PolarHBondContact O-N 3.05Å; V81-Y85 WeakPolarHBondContact O-CB 3.43Å; V81-Y85 PolarHBondContact O-N 3.01Å
82K94.2Very high91.4Very high111 Ų11175.4 Ų75.448%0.48338%0.384SS..Hα-helixtrans-63.8-38.8177.5-178.1177.4-179.5-179.90112.5R78 I80 K86R78-K82 WeakPolarHBondContact O-CB 3.37Å; R78-K82 PolarHBondContact O-N 3.13Å; I80-K82 VanDerWaalsContact C-N 3.34Å; I80-K82 PolarHBondContact O-N 3.39Å; K82-K86 WeakPolarHBondContact O-CB 3.03Å; K82-K86 VanDerWaalsContact O-CG 3.31Å; K82-K86 WeakPolarHBondContact O-CG 3.46Å; K82-K86 PolarHBondContact O-N 3.05Å
83T95.6Very high89.1Confident84 Ų8481.3 Ų81.352%0.51541%0.408SS..Hα-helixtrans-68.3-44.4177.7-60.40000110.5D79 I80 V81 K86 R87D79-T83 VanDerWaalsContact O-CB 3.26Å; D79-T83 WeakPolarHBondContact O-CB 3.36Å; D79-T83 PolarHBondContact O-N 3.25Å; D79-T83 PolarHBondContact O-OG1 2.87Å; I80-T83 PolarHBondContact O-N 2.87Å; V81-T83 VanDerWaalsContact C-N 3.34Å; V81-T83 PolarHBondContact O-N 2.97Å; T83-K86 PolarHBondContact O-N 3.06Å; T83-R87 WeakPolarHBondContact O-CB 3.18Å; T83-R87 PolarHBondContact O-N 2.72Å; T83-R87 VanDerWaalsContact O-N 3.11Å
84D95.5Very high86.8Confident11 Ų1190.2 Ų90.26%0.05945%0.447CS..Hα-helixtrans-62.1-44.5174.8-177.267.4000111.9Y24 L44 I80 V81 K86 R87 S88Y24-D84 VanDerWaalsContact CE1-OD2 3.27Å; Y24-D84 WeakPolarHBondContact CE1-OD2 3.45Å; Y24-D84 VanDerWaalsContact CZ-OD2 3.31Å; Y24-D84 PolarHBondContact OH-OD2 2.78Å; L44-D84 HydrophobicContact CD1-CB 3.91Å; I80-D84 PolarHBondContact O-N 3.1Å; V81-D84 PolarHBondContact O-N 3.05Å; D84-K86 PolarHBondContact O-N 3.3Å; D84-R87 WeakPolarHBondContact O-CB 3.21Å; D84-R87 PolarHBondContact O-N 2.92Å; D84-R87 VanDerWaalsContact O-N 3.14Å; D84-R87 IonicContact OD1-CZ 3.91Å; D84-R87 IonicContact OD1-NE 3.93Å; D84-R87 IonicContact OD1-NH2 2.98Å; D84-R87 PolarHBondContact OD1-NH2 3.44Å; D84-S88 VanDerWaalsContact O-CB 3.29Å; D84-S88 WeakPolarHBondContact O-CB 3.33Å; D84-S88 PolarHBondContact O-N 2.69Å; D84-S88 PolarHBondContact O-OG 3.49Å
85Y92.2Very high84.3Confident86 Ų8693.5 Ų93.534%0.33747%0.469SS..Hα-helixtrans-57.9-48.7176.5178.7-92.2000112Y24 V81 R87 S88 V89Y24-Y85 PolarHBondContact OH-N 2.71Å; V81-Y85 WeakPolarHBondContact O-CB 3.43Å; V81-Y85 PolarHBondContact O-N 3.01Å; Y85-R87 PolarHBondContact O-N 3.48Å; Y85-S88 PolarHBondContact O-N 3.36Å; Y85-V89 HydrophobicContact CD2-CB 4.36Å; Y85-V89 HydrophobicContact CD2-CG2 3.67Å; Y85-V89 HydrophobicContact CE1-CB 4.37Å; Y85-V89 HydrophobicContact CE2-CB 4.04Å; Y85-V89 HydrophobicContact CE2-CG1 4.34Å; Y85-V89 HydrophobicContact CE2-CG2 3.48Å; Y85-V89 VanDerWaalsContact CE2-CG2 3.48Å; Y85-V89 HydrophobicContact CG-CG2 4.35Å; Y85-V89 WeakPolarHBondContact O-CB 2.74Å; Y85-V89 PolarHBondContact O-N 3.29Å
86K91.2Very high81.8Confident150 Ų15098 Ų9865%0.65249%0.49SS*.Hα-helixtrans-61.7-31.1178.1-77177.6175.5-172.20113.1K82 T83 D84K82-K86 WeakPolarHBondContact O-CB 3.03Å; K82-K86 VanDerWaalsContact O-CG 3.31Å; K82-K86 WeakPolarHBondContact O-CG 3.46Å; K82-K86 PolarHBondContact O-N 3.05Å; T83-K86 PolarHBondContact O-N 3.06Å; D84-K86 PolarHBondContact O-N 3.3Å
87R91.9Very high79.7Confident171 Ų17198.8 Ų98.865%0.64551%0.505SS*.Hα-helixtrans-78.7-41178.5175.3179.162.3-156.72.7111.6T83 D84 Y85T83-R87 WeakPolarHBondContact O-CB 3.18Å; T83-R87 PolarHBondContact O-N 2.72Å; T83-R87 VanDerWaalsContact O-N 3.11Å; D84-R87 WeakPolarHBondContact O-CB 3.21Å; D84-R87 PolarHBondContact O-N 2.92Å; D84-R87 VanDerWaalsContact O-N 3.14Å; D84-R87 IonicContact OD1-CZ 3.91Å; D84-R87 IonicContact OD1-NE 3.93Å; D84-R87 IonicContact OD1-NH2 2.98Å; D84-R87 PolarHBondContact OD1-NH2 3.44Å; Y85-R87 PolarHBondContact O-N 3.48Å
88S88Confident77.4Confident33 Ų33106.4 Ų106.423%0.23154%0.54CS..Hα-helixtrans-92.7-32.7-168.162.60000113.5G27 D84 Y85 P90G27-S88 WeakPolarHBondContact CA-O 3.49Å; G27-S88 PolarHBondContact N-OG 2.91Å; D84-S88 VanDerWaalsContact O-CB 3.29Å; D84-S88 WeakPolarHBondContact O-CB 3.33Å; D84-S88 PolarHBondContact O-N 2.69Å; D84-S88 PolarHBondContact O-OG 3.49Å; Y85-S88 PolarHBondContact O-N 3.36Å; S88-P90 WeakPolarHBondContact O-CD 3.3Å
89V84.9Confident75.5Confident20 Ų20105.1 Ų105.112%0.12155%0.551CS.*SBendtrans-92114.7176.7-179.20000108.4A29 Y85 A91A29-V89 HydrophobicContact CB-CG1 4.14Å; Y85-V89 HydrophobicContact CD2-CB 4.36Å; Y85-V89 HydrophobicContact CD2-CG2 3.67Å; Y85-V89 HydrophobicContact CE1-CB 4.37Å; Y85-V89 HydrophobicContact CE2-CB 4.04Å; Y85-V89 HydrophobicContact CE2-CG1 4.34Å; Y85-V89 HydrophobicContact CE2-CG2 3.48Å; Y85-V89 VanDerWaalsContact CE2-CG2 3.48Å; Y85-V89 HydrophobicContact CG-CG2 4.35Å; Y85-V89 WeakPolarHBondContact O-CB 2.74Å; Y85-V89 PolarHBondContact O-N 3.29Å; V89-A91 PolarHBondContact O-N 3.47Å
90P77.6Confident73.8Confident101 Ų101105.9 Ų105.966%0.65656%0.555SS**  trans-54.1133.4174.9-21.932000109S88 Q92S88-P90 WeakPolarHBondContact O-CD 3.3Å; P90-Q92 PolarHBondContact O-N 3.48Å
91A69.3Low72.3Confident97 Ų97110.2 Ų110.280%0.80259%0.586SS**  trans-54.8110.3165.800000106.1V89 D93V89-A91 PolarHBondContact O-N 3.47Å; A91-D93 PolarHBondContact O-N 2.98Å
92Q62.1Low70.8Confident149 Ų149115.7 Ų115.770%0.69662%0.615SS**  trans-54.1124.3173.5-72.3-164.2-3200106P90 K94P90-Q92 PolarHBondContact O-N 3.48Å; Q92-K94 PolarHBondContact O-N 3.48Å
93D48.5Very low69.1Low155 Ų155118.4 Ų118.483%0.82963%0.626SS**  trans-42120.1176.6-83-43.8000107.3A91 P95A91-D93 PolarHBondContact O-N 2.98Å; D93-P95 VanDerWaalsContact O-N 3.08Å
94K49.8Very low67.2Low188 Ų188119.7 Ų119.782%0.81764%0.636SS**  trans-39.5124167.4-128.1176.9-178.3179.40105Q92 E96Q92-K94 PolarHBondContact O-N 3.48Å; K94-E96 PolarHBondContact O-N 3.26Å
95P46.7Very low65.4Low115 Ų115124.6 Ų124.675%0.74767%0.672SS**  trans-54.2112.4176.820.9-30.4000106D93 V97D93-P95 VanDerWaalsContact O-N 3.08Å; P95-V97 VanDerWaalsContact C-N 3.32Å; P95-V97 PolarHBondContact O-N 3.1Å
96E45Very low63.8Low176 Ų176125.5 Ų125.582%0.82269%0.69SS**  trans-55.2109.9168-85.6-173.7143.400104.1K94 Q98K94-E96 PolarHBondContact O-N 3.26Å; E96-Q98 PolarHBondContact O-N 2.84Å
97V53.2Low62.3Low133 Ų133123.3 Ų123.381%0.80669%0.694SS**  trans-65.990.7169.9179.10000103.8P95 S99P95-V97 VanDerWaalsContact C-N 3.32Å; P95-V97 PolarHBondContact O-N 3.1Å; V97-S99 VanDerWaalsContact C-N 3.33Å; V97-S99 PolarHBondContact O-N 2.94Å
98Q50.2Low60.5Low168 Ų168122.7 Ų122.779%0.78570%0.703SS**  trans-57.3108.3164.8-78.5-176.23.300105.1E96 D100E96-Q98 PolarHBondContact O-N 2.84Å; Q98-D100 PolarHBondContact O-N 3.33Å
99S56.8Low58.8Low105 Ų105129.4 Ų129.473%0.73476%0.761SS**  trans-54.4110.9170.739.60000107V97 P101V97-S99 VanDerWaalsContact C-N 3.33Å; V97-S99 PolarHBondContact O-N 2.94Å; S99-P101 VanDerWaalsContact O-CD 3.27Å; S99-P101 WeakPolarHBondContact O-CD 3.35Å; S99-P101 VanDerWaalsContact O-N 3.11Å
100D63.2Low57.5Low102 Ų102134.9 Ų134.955%0.54579%0.793SS.*  trans-56.3115.4174.1-173.1-16.6000107.5Q98 N102 K103Q98-D100 PolarHBondContact O-N 3.33Å; D100-N102 PolarHBondContact O-N 2.91Å; D100-N102 WeakPolarHBondContact OD1-CB 3.48Å; D100-N102 PolarHBondContact OD1-N 3.25Å; D100-K103 HydrophobicContact CB-CB 4.41Å; D100-K103 WeakPolarHBondContact O-CB 3.01Å; D100-K103 PolarHBondContact O-N 2.84Å
101P65Low56.4Low136 Ų136136.6 Ų136.688%0.88380%0.8SS**THydrogen-bonded Turntrans-62.4-9178.725.2-32.2000112.2S99S99-P101 VanDerWaalsContact O-CD 3.27Å; S99-P101 WeakPolarHBondContact O-CD 3.35Å; S99-P101 VanDerWaalsContact O-N 3.11Å
102N65Low55.7Low138 Ų138138.8 Ų138.874%0.73880%0.8SS**THydrogen-bonded Turntrans-105.714.3176.4-1404.8000113.6D100 P104D100-N102 PolarHBondContact O-N 2.91Å; D100-N102 WeakPolarHBondContact OD1-CB 3.48Å; D100-N102 PolarHBondContact OD1-N 3.25Å; N102-P104 WeakPolarHBondContact O-CD 3.1Å
103K59.3Low55.4Low168 Ų168138.2 Ų138.273%0.7381%0.806SS**  trans-70.1111.9173.1-167.6-178.8-174.7-1680109.1D100 S105D100-K103 HydrophobicContact CB-CB 4.41Å; D100-K103 WeakPolarHBondContact O-CB 3.01Å; D100-K103 PolarHBondContact O-N 2.84Å; K103-S105 PolarHBondContact O-N 3.33Å
104P55.6Low55.8Low111 Ų111137.2 Ų137.272%0.72181%0.805SS**  trans-62126.4174.225.3-31.5000108.5N102 S106N102-P104 WeakPolarHBondContact O-CD 3.1Å; P104-S106 PolarHBondContact O-N 3.03Å
105S58.9Low56.2Low115 Ų115133.8 Ų133.880%0.80480%0.804SS**  trans-63.6105.9173.9-160.80000107.6K103 S107K103-S105 PolarHBondContact O-N 3.33Å; S105-S107 PolarHBondContact O-N 2.77Å
106S56.7Low56.9Low104 Ų104135.1 Ų135.173%0.72781%0.808SS**  trans-73.883.717056.90000107.9P104 N108P104-S106 PolarHBondContact O-N 3.03Å; S106-N108 PolarHBondContact O-N 3.47Å
107S59.8Low57.8Low105 Ų105132 Ų13273%0.73481%0.807SS**  trans-73.2103.3157.156.60000107S105S105-S107 PolarHBondContact O-N 2.77Å
108N55.5Low58.2Low157 Ų157131.9 Ų131.984%0.8481%0.807SS**  trans-65.3140.2159.4-83.8-18.7000108.1S106S106-N108 PolarHBondContact O-N 3.47Å
109A51.9Low58.9Low174 Ų174128.6 Ų128.6100%1.43881%0.809SS**  trans-54.40177.200000113.4

Retrieved 109 of 109 residues in 28.7 ms (Link to these results)