A0A077ZCI0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZCI0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 218 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
1M37.4Very low38.1Very low214 Ų21493.1 Ų93.1100%1.05449%0.489SS*.  0-42.10-71-151.7-64.900113.5L3 H4 A5M1-L3 PolarHBondContact O-N 2.93Å; M1-H4 PolarHBondContact O-N 3.27Å; M1-A5 PolarHBondContact O-N 3.47Å
2V31Very low38.6Very low53 Ų53103.9 Ų103.932%0.32152%0.518SS..Hα-helixtrans-59.5-45.6-177.5167.70000114.6A6 V70V2-A6 PolarHBondContact O-N 3.34Å; V2-V70 HydrophobicContact CB-CB 4.38Å; V2-V70 HydrophobicContact CB-CG2 4.08Å; V2-V70 HydrophobicContact CG1-CB 3.59Å; V2-V70 HydrophobicContact CG1-CG1 3.81Å; V2-V70 HydrophobicContact CG1-CG2 3.19Å; V2-V70 HydrophobicContact CG2-CB 4.01Å; V2-V70 HydrophobicContact CG2-CG2 3.71Å
3L33.5Very low38.9Very low107 Ų10797.7 Ų97.756%0.5649%0.489SS*.Hα-helixtrans-68.2-35.2-178.9-83.2144.7000112.7M1 A5 A6 E7M1-L3 PolarHBondContact O-N 2.93Å; L3-A5 VanDerWaalsContact C-N 3.31Å; L3-A5 PolarHBondContact O-N 3.06Å; L3-A6 PolarHBondContact O-N 3.43Å; L3-E7 PolarHBondContact O-N 3.1Å
4H35.3Very low39.1Very low117 Ų11795.6 Ų95.654%0.54249%0.486SS..Hα-helixtrans-68-31.3-178.1-157.9-35.4000112.4M1 M8M1-H4 PolarHBondContact O-N 3.27Å; H4-M8 WeakPolarHBondContact O-CB 3.48Å; H4-M8 VanDerWaalsContact O-CG 3.31Å; H4-M8 WeakPolarHBondContact O-CG 3.48Å; H4-M8 PolarHBondContact O-N 3.31Å; H4-M8 VanDerWaalsContact O-N 3.16Å
5A37.1Very low39.5Very low44 Ų44100.9 Ų100.936%0.36451%0.508SS..Hα-helixtrans-72.4-39.1174.100000111.7M1 L3 M8 M9M1-A5 PolarHBondContact O-N 3.47Å; L3-A5 VanDerWaalsContact C-N 3.31Å; L3-A5 PolarHBondContact O-N 3.06Å; A5-M8 PolarHBondContact O-N 2.9Å; A5-M9 VanDerWaalsContact O-CG 3.31Å; A5-M9 WeakPolarHBondContact O-CG 3.48Å; A5-M9 PolarHBondContact O-N 3.23Å; A5-M9 VanDerWaalsContact O-N 3.15Å
6A37.9Very low39.5Very low28 Ų28105.3 Ų105.323%0.23153%0.526CS..Hα-helixtrans-67.8-41.6176.600000112V2 L3 M9 M10V2-A6 PolarHBondContact O-N 3.34Å; L3-A6 PolarHBondContact O-N 3.43Å; A6-M9 PolarHBondContact O-N 3.48Å; A6-M10 WeakPolarHBondContact O-CG 3.45Å; A6-M10 PolarHBondContact O-N 3.19Å
7E39.5Very low39.5Very low102 Ų102104.2 Ų104.248%0.47752%0.519SS..Hα-helixtrans-61.7-43173.7-83178.9138.900112.6L3 M9 M10 N11L3-E7 PolarHBondContact O-N 3.1Å; E7-M9 VanDerWaalsContact C-N 3.26Å; E7-M9 PolarHBondContact O-N 3Å; E7-M10 PolarHBondContact O-N 3.09Å; E7-N11 PolarHBondContact O-N 3.01Å; E7-N11 VanDerWaalsContact O-N 3.09Å
8M40.8Very low39.5Very low109 Ų109105.8 Ų105.854%0.53752%0.524SS..Hα-helixtrans-64.6-30.1176.9-77.4-166.1-71.400113H4 A5H4-M8 WeakPolarHBondContact O-CB 3.48Å; H4-M8 VanDerWaalsContact O-CG 3.31Å; H4-M8 WeakPolarHBondContact O-CG 3.48Å; H4-M8 PolarHBondContact O-N 3.31Å; H4-M8 VanDerWaalsContact O-N 3.16Å; A5-M8 PolarHBondContact O-N 2.9Å
9M42.7Very low39.5Very low70 Ų70100.6 Ų100.635%0.34550%0.499SS..Hα-helixtrans-76.8-38.1175.4-69.8-173.684.400112.2A5 A6 E7 N11 R12 V13 C72 L74A5-M9 VanDerWaalsContact O-CG 3.31Å; A5-M9 WeakPolarHBondContact O-CG 3.48Å; A5-M9 PolarHBondContact O-N 3.23Å; A5-M9 VanDerWaalsContact O-N 3.15Å; A6-M9 PolarHBondContact O-N 3.48Å; E7-M9 VanDerWaalsContact C-N 3.26Å; E7-M9 PolarHBondContact O-N 3Å; M9-N11 VanDerWaalsContact C-N 3.35Å; M9-R12 PolarHBondContact O-N 3.23Å; M9-V13 WeakPolarHBondContact O-CG2 3.47Å; M9-C72 HydrophobicContact SD-CB 4.19Å; M9-L74 HydrophobicContact CB-CD1 4.05Å; M9-L74 HydrophobicContact CE-CB 3.94Å; M9-L74 HydrophobicContact CE-CD1 3.66Å; M9-L74 HydrophobicContact CE-CD2 4.16Å; M9-L74 HydrophobicContact CE-CG 4.12Å; M9-L74 HydrophobicContact SD-CD1 4.15Å
10M41.4Very low39.4Very low35 Ų3599 Ų9917%0.17249%0.489CS..Hα-helixtrans-67.5-33.4178.7-67.5-78.1-91.400112.3A6 E7 R12 V13 V19 V21 L41 L44A6-M10 WeakPolarHBondContact O-CG 3.45Å; A6-M10 PolarHBondContact O-N 3.19Å; E7-M10 PolarHBondContact O-N 3.09Å; M10-R12 PolarHBondContact O-N 3.02Å; M10-V13 PolarHBondContact O-N 3.32Å; M10-V19 HydrophobicContact SD-CB 3.99Å; M10-V19 HydrophobicContact SD-CG1 3.7Å; M10-V19 HydrophobicContact SD-CG2 4.14Å; M10-V21 HydrophobicContact SD-CG2 4.29Å; M10-L41 HydrophobicContact CE-CD2 3.93Å; M10-L44 HydrophobicContact CE-CD1 4.17Å
11N42.9Very low39.6Very low145 Ų14595.6 Ų95.678%0.77547%0.474SS*.THydrogen-bonded Turntrans-69.4-7.4175.8-75.8-20.7000114.6E7 M9E7-N11 PolarHBondContact O-N 3.01Å; E7-N11 VanDerWaalsContact O-N 3.09Å; M9-N11 VanDerWaalsContact C-N 3.35Å
12R44.3Very low39.7Very low223 Ų22385.8 Ų85.884%0.84243%0.427SS*.THydrogen-bonded Turntrans-105.50.7177-68.1-172.9177.2-173.8-0.7113.4M9 M10M9-R12 PolarHBondContact O-N 3.23Å; M10-R12 PolarHBondContact O-N 3.02Å
13V42Very low40.2Very low23 Ų2386.4 Ų86.414%0.13943%0.428CS..SBendtrans-92.1128-178.5-174.80000110M9 M10 Q15 H17 V19 L74 M76M9-V13 WeakPolarHBondContact O-CG2 3.47Å; M10-V13 PolarHBondContact O-N 3.32Å; V13-Q15 PolarHBondContact O-N 2.98Å; V13-H17 HydrophobicContact CG1-CB 3.8Å; V13-V19 HydrophobicContact CB-CG2 4.04Å; V13-V19 HydrophobicContact CG1-CG2 3.61Å; V13-V19 HydrophobicContact CG2-CG2 3.88Å; V13-L74 HydrophobicContact CG2-CD2 4.13Å; V13-M76 HydrophobicContact CG1-CE 4.34Å; V13-M76 HydrophobicContact CG1-SD 3.83Å; V13-M76 HydrophobicContact CG2-SD 4.38Å
14P42.1Very low40.4Very low69 Ų6983.2 Ų83.245%0.44841%0.412SS..  trans-54.2138170.9-21.229.7000111.2H16 H17P14-H16 PolarHBondContact O-N 3.43Å; P14-H17 PolarHBondContact O-N 3.47Å
15Q45.3Very low40.5Very low174 Ų17480.5 Ų80.581%0.81340%0.403SS*.THydrogen-bonded Turntrans-58.11-174.6-69.7178.9-15.100115.9V13V13-Q15 PolarHBondContact O-N 2.98Å
16H39Very low40.4Very low171 Ų17180.1 Ų80.179%0.79240%0.397SS*.THydrogen-bonded Turntrans-117.919.8-177.6-64.8-57000114P14P14-H16 PolarHBondContact O-N 3.43Å
17H39.3Very low40.1Very low88 Ų8887.9 Ų87.941%0.40742%0.421SS..  trans-119.5126.6-179.2-68.5-22.3000112.1V13 P14 V19 M76V13-H17 HydrophobicContact CG1-CB 3.8Å; P14-H17 PolarHBondContact O-N 3.47Å; H17-V19 PolarHBondContact O-N 2.9Å; H17-V19 VanDerWaalsContact O-N 3.15Å; H17-M76 HydrophobicContact CB-SD 4.23Å
18H39.3Very low40Very low133 Ų13386.6 Ų86.662%0.61644%0.435SS*.  trans-61.5113.8167.5-67-70.8000108.6
19V39.2Very low39.6Very low6 Ų690 Ų904%0.03646%0.455CS..  trans-93.4110.1174.3-172.30000108.2M10 V13 H17 V21 L74M10-V19 HydrophobicContact SD-CB 3.99Å; M10-V19 HydrophobicContact SD-CG1 3.7Å; M10-V19 HydrophobicContact SD-CG2 4.14Å; V13-V19 HydrophobicContact CB-CG2 4.04Å; V13-V19 HydrophobicContact CG1-CG2 3.61Å; V13-V19 HydrophobicContact CG2-CG2 3.88Å; H17-V19 PolarHBondContact O-N 2.9Å; H17-V19 VanDerWaalsContact O-N 3.15Å; V19-V21 HydrophobicContact CG1-CG2 3.91Å; V19-V21 PolarHBondContact O-N 3.5Å; V19-L74 HydrophobicContact CG1-CD1 4.19Å; V19-L74 HydrophobicContact CG1-CG 4.31Å
20H39Very low38.9Very low68 Ų6890.7 Ų90.732%0.31546%0.464SS..EExtended strand (participates in β ladder)trans-80.6111.1165.3-61.9-79.2000108.2T37 L75H20-T37 VanDerWaalsContact CE1-CG2 3.42Å; H20-T37 WeakPolarHBondContact CE1-CG2 3.21Å; H20-T37 VanDerWaalsContact ND1-CG2 3.29Å; H20-T37 WeakPolarHBondContact ND1-CG2 3.29Å; H20-L75 HydrophobicContact CB-CB 4.34Å
21V42.3Very low38.5Very low28 Ų2892.1 Ų92.117%0.1748%0.481CS..EExtended strand (participates in β ladder)trans-94.3104.1171.1-176.30000107.3M10 V19 R36 V38M10-V21 HydrophobicContact SD-CG2 4.29Å; V19-V21 HydrophobicContact CG1-CG2 3.91Å; V19-V21 PolarHBondContact O-N 3.5Å; V21-R36 PolarHBondContact N-O 3.36Å; V21-R36 PolarHBondContact O-N 3.47Å; V21-V38 HydrophobicContact CG2-CG2 4.47Å
22A39.3Very low38Very low8 Ų888.7 Ų88.77%0.06647%0.465CS..EExtended strand (participates in β ladder)trans-82.5118.5165.800000108.5I35 Q73A22-I35 HydrophobicContact CB-CG1 4.19Å; A22-Q73 HydrophobicContact CB-CB 4.26Å
23L42.2Very low37.5Very low67 Ų6781 Ų8135%0.35145%0.449SS..EExtended strand (participates in β ladder)trans-102108.9172.4-139.7114.8000107.6V25 M34L23-V25 HydrophobicContact CD2-CG2 3.77Å; L23-M34 PolarHBondContact N-O 3.41Å; L23-M34 PolarHBondContact O-N 2.95Å
24L38.2Very low37.2Very low40 Ų4085 Ų8521%0.20947%0.467CS..EExtended strand (participates in β ladder)trans-77.2123.9167.8-13392.7000108.4A31 A33 L71L24-A31 HydrophobicContact CD2-CB 3.84Å; L24-A31 HydrophobicContact CG-CB 4.37Å; L24-A33 HydrophobicContact CD1-CB 3.99Å; L24-L71 HydrophobicContact CB-CB 3.81Å; L24-L71 HydrophobicContact CD2-CB 4.36Å; L24-L71 HydrophobicContact CG-CB 4.48Å
25V37.2Very low37Very low60 Ų6087 Ų8736%0.36447%0.473SS..EExtended strand (participates in β ladder)trans-117.3116.1171.3-178.40000107.9L23 V32L23-V25 HydrophobicContact CD2-CG2 3.77Å; V25-V32 PolarHBondContact N-O 3.28Å; V25-V32 PolarHBondContact O-N 2.91Å
26C34.5Very low36.7Very low35 Ų3587.1 Ų87.124%0.23647%0.466CS..EExtended strand (participates in β ladder)trans-86.7131.6175.5-58.80000110.7T30C26-T30 CarbonylContact C-O 3.56Å; C26-T30 WeakPolarHBondContact CA-O 3.46Å
27R31.4Very low36.7Very low192 Ų19282.8 Ų82.873%0.72545%0.452SS*.EExtended strand (participates in β ladder)trans-119.499.8166.7-83.4-175.2159173.8-5.1108D29 T30R27-D29 PolarHBondContact O-N 2.9Å; R27-T30 PolarHBondContact N-O 3.23Å; R27-T30 PolarHBondContact O-N 3.48Å; R27-T30 PolarHBondContact O-OG1 3.4Å
28G38.5Very low36.9Very low75 Ų7580.9 Ų80.977%0.77345%0.446SS*.THydrogen-bonded Turntrans56.8-130.4-172.200000111.4T30G28-T30 PolarHBondContact O-N 3.35Å
29D32.4Very low36.8Very low179 Ų17981.5 Ų81.596%0.95745%0.449SS*.THydrogen-bonded Turntrans-75-5.3176.2-63.9-30.6000114R27R27-D29 PolarHBondContact O-N 2.9Å
30T27.2Very low36.5Very low86 Ų8686.3 Ų86.353%0.52848%0.475SS..EExtended strand (participates in β ladder)trans-98.6116.9-178.858.70000111.3C26 R27 G28C26-T30 CarbonylContact C-O 3.56Å; C26-T30 WeakPolarHBondContact CA-O 3.46Å; R27-T30 PolarHBondContact N-O 3.23Å; R27-T30 PolarHBondContact O-N 3.48Å; R27-T30 PolarHBondContact O-OG1 3.4Å; G28-T30 PolarHBondContact O-N 3.35Å
31A32.6Very low36.2Very low64 Ų6487.6 Ų87.653%0.52948%0.484SS..EExtended strand (participates in β ladder)trans-90115.3167.600000109.3L24L24-A31 HydrophobicContact CD2-CB 3.84Å; L24-A31 HydrophobicContact CG-CB 4.37Å
32V31.9Very low35.6Very low73 Ų7395 Ų9544%0.44251%0.509SS..EExtended strand (participates in β ladder)trans-96.2110.7171.5-176.90000107.7V25 M34V25-V32 PolarHBondContact N-O 3.28Å; V25-V32 PolarHBondContact O-N 2.91Å; V32-M34 PolarHBondContact O-N 2.89Å
33A34.6Very low35.3Very low61 Ų6199.1 Ų99.150%0.50454%0.535SS..EExtended strand (participates in β ladder)trans-77.8106.9170.100000109L24L24-A33 HydrophobicContact CD1-CB 3.99Å
34M36Very low34.8Very low107 Ų10799.9 Ų99.953%0.52754%0.538SS..EExtended strand (participates in β ladder)trans-88.9102.1164.3-89.4-167.5172.400108.5L23 V32L23-M34 PolarHBondContact N-O 3.41Å; L23-M34 PolarHBondContact O-N 2.95Å; V32-M34 PolarHBondContact O-N 2.89Å
35I38Very low34.4Very low111 Ų111105.4 Ų105.457%0.56956%0.563SS**EExtended strand (participates in β ladder)trans-85.9111.2167.9-57.5173.8000106.6A22A22-I35 HydrophobicContact CB-CG1 4.19Å
36R38.7Very low34Very low177 Ų177106.5 Ų106.567%0.66857%0.572SS**EExtended strand (participates in β ladder)trans-105.9121.1166.6-76.5-169.1176-169.9-1.5108.6V21 V38V21-R36 PolarHBondContact N-O 3.36Å; V21-R36 PolarHBondContact O-N 3.47Å; R36-V38 PolarHBondContact O-N 3.33Å
37T39.3Very low33.9Very low80 Ų80110.7 Ų110.749%0.49159%0.586SS.*EExtended strand (participates in β ladder)trans-67.5114.4161.630.70000107.8H20 E39H20-T37 VanDerWaalsContact CE1-CG2 3.42Å; H20-T37 WeakPolarHBondContact CE1-CG2 3.21Å; H20-T37 VanDerWaalsContact ND1-CG2 3.29Å; H20-T37 WeakPolarHBondContact ND1-CG2 3.29Å; T37-E39 PolarHBondContact O-N 2.95Å
38V42.5Very low33.9Very low48 Ų48105.7 Ų105.729%0.29158%0.576SS.*  trans-88.992.8168.1-176.30000105.6V21 R36 D40V21-V38 HydrophobicContact CG2-CG2 4.47Å; R36-V38 PolarHBondContact O-N 3.33Å; V38-D40 VanDerWaalsContact C-N 3.29Å
39E37.4Very low33.6Very low146 Ų146109.5 Ų109.568%0.68257%0.574SS**  trans-76.8-13.9-177.4-76.5-174.1166.400113.6T37T37-E39 PolarHBondContact O-N 2.95Å
40D33.4Very low33.7Very low107 Ų107107.4 Ų107.457%0.57256%0.559SS**  trans-132.7112.3177.6-83-28000111.1V38 R42V38-D40 VanDerWaalsContact C-N 3.29Å; D40-R42 PolarHBondContact O-N 3.4Å; D40-R42 IonicContact OD2-NH2 3.63Å
41L32.7Very low34.2Very low96 Ų96109.8 Ų109.850%0.50356%0.558SS.*  trans-71.763.8162.4-76.4162.3000109.5M10M10-L41 HydrophobicContact CE-CD2 3.93Å
42R29.7Very low34.2Very low184 Ų184113.5 Ų113.569%0.69457%0.565SS**  trans-76.2145.8153.8-86.6-177.1-88.1-177.4-7.1107.7D40 L44D40-R42 PolarHBondContact O-N 3.4Å; D40-R42 IonicContact OD2-NH2 3.63Å; R42-L44 PolarHBondContact O-N 2.89Å; R42-L44 VanDerWaalsContact O-N 3.09Å
43P32.8Very low34.4Very low94 Ų94118.2 Ų118.261%0.6158%0.579SS**  trans-52.3125177.4-16.727.1000108Q45 P46P43-Q45 PolarHBondContact O-N 3.47Å; P43-P46 WeakPolarHBondContact O-CD 3.43Å
44L31.5Very low34.5Very low82 Ų82119.5 Ų119.543%0.42958%0.577SS.*SBendtrans-66.819.3178.5-73.9167.8000113M10 R42 P46 F47M10-L44 HydrophobicContact CE-CD1 4.17Å; R42-L44 PolarHBondContact O-N 2.89Å; R42-L44 VanDerWaalsContact O-N 3.09Å; L44-P46 VanDerWaalsContact C-CD 3.43Å; L44-F47 HydrophobicContact CD2-CB 4.29Å; L44-F47 HydrophobicContact CD2-CD2 3.47Å; L44-F47 VanDerWaalsContact CD2-CD2 3.47Å; L44-F47 HydrophobicContact CD2-CE2 4.04Å; L44-F47 HydrophobicContact CD2-CG 4.04Å; L44-F47 PolarHBondContact O-N 3.06Å
45Q30.1Very low34.5Very low156 Ų156117.8 Ų117.873%0.72957%0.573SS**THydrogen-bonded Turntrans-61.3-32.7176-83.7-175.6-40.800114.3P43 F47P43-Q45 PolarHBondContact O-N 3.47Å; Q45-F47 VanDerWaalsContact C-N 3.34Å; Q45-F47 PolarHBondContact O-N 3.2Å
46P29.7Very low34.3Very low84 Ų84119.5 Ų119.555%0.54558%0.579SS.*Hα-helixtrans-83.5-5.4175.423.4-15.9000113.9P43 L44 V48P43-P46 WeakPolarHBondContact O-CD 3.43Å; L44-P46 VanDerWaalsContact C-CD 3.43Å; P46-V48 VanDerWaalsContact C-N 3.35Å
47F30.9Very low34Very low123 Ų123116.1 Ų116.154%0.53957%0.574SS.*Hα-helixtrans-84.1-9.8176.9-87.5-81.7000114L44 Q45L44-F47 HydrophobicContact CD2-CB 4.29Å; L44-F47 HydrophobicContact CD2-CD2 3.47Å; L44-F47 VanDerWaalsContact CD2-CD2 3.47Å; L44-F47 HydrophobicContact CD2-CE2 4.04Å; L44-F47 HydrophobicContact CD2-CG 4.04Å; L44-F47 PolarHBondContact O-N 3.06Å; Q45-F47 VanDerWaalsContact C-N 3.34Å; Q45-F47 PolarHBondContact O-N 3.2Å
48V32.3Very low33.6Very low86 Ų86120.7 Ų120.752%0.52159%0.587SS.*Hα-helixtrans-87.9-38.2178.6-177.50000110.5P46 R51P46-V48 VanDerWaalsContact C-N 3.35Å; V48-R51 PolarHBondContact O-N 3.03Å
49E31.4Very low33.1Very low156 Ų156128.7 Ų128.773%0.72961%0.612SS**Hα-helixtrans-78.2-30.9-179.2-70179.4163.700113.2R51E49-R51 PolarHBondContact O-N 2.97Å
50E34.9Very low32.7Very low135 Ų135125.5 Ų125.563%0.63161%0.611SS**Hα-helixtrans-79.1-9.8175.8-146.6175.4-15500112.9N54E50-N54 PolarHBondContact O-ND2 3.37Å
51R37Very low32.4Very low136 Ų136123.7 Ų123.751%0.51361%0.611SS.*Hα-helixtrans-92.2-22.8177.1-98.7-167.1172.8-162.90114.2V48 E49 K53 N54 T55V48-R51 PolarHBondContact O-N 3.03Å; E49-R51 PolarHBondContact O-N 2.97Å; R51-K53 PolarHBondContact O-N 3.3Å; R51-N54 PolarHBondContact O-N 3Å; R51-T55 WeakPolarHBondContact O-CB 3.38Å; R51-T55 WeakPolarHBondContact O-CG2 3.36Å; R51-T55 PolarHBondContact O-N 2.94Å; R51-T55 PolarHBondContact O-OG1 3.42Å
52E34.5Very low32.1Very low142 Ų142123.8 Ų123.866%0.66462%0.619SS**Hα-helixtrans-63.5-35.1172.1-73.8-170.5154.800110.9T55E52-T55 WeakPolarHBondContact CA-OG1 3.34Å; E52-T55 PolarHBondContact O-OG1 3.29Å
53K35.1Very low32Very low172 Ų172121 Ų12175%0.74862%0.617SS**Hα-helixtrans-74.3-29.3176.5-150.8171.3-175.1178.30114.1R51R51-K53 PolarHBondContact O-N 3.3Å
54N36.8Very low31.8Very low88 Ų88122.1 Ų122.147%0.47162%0.624SS.*Hα-helixtrans-95.1-10.6179.5-83.7-46000114.2E50 R51 F58E50-N54 PolarHBondContact O-ND2 3.37Å; R51-N54 PolarHBondContact O-N 3Å; N54-F58 PolarHBondContact O-N 3.44Å
55T35.3Very low31.7Very low71 Ų71125 Ų12544%0.43664%0.64SS.*Hα-helixtrans-82.8-22.9176.635.30000112.6R51 E52 R59R51-T55 WeakPolarHBondContact O-CB 3.38Å; R51-T55 WeakPolarHBondContact O-CG2 3.36Å; R51-T55 PolarHBondContact O-N 2.94Å; R51-T55 PolarHBondContact O-OG1 3.42Å; E52-T55 WeakPolarHBondContact CA-OG1 3.34Å; E52-T55 PolarHBondContact O-OG1 3.29Å; T55-R59 PolarHBondContact O-N 3.47Å
56E35.1Very low31.6Very low146 Ų146122 Ų12268%0.68263%0.632SS**Hα-helixtrans-67.3-40.9166.8-67.7-167.5152.100111.3F58 R59 A60E56-F58 VanDerWaalsContact C-N 3.33Å; E56-F58 PolarHBondContact O-N 3.03Å; E56-R59 PolarHBondContact O-N 3.25Å; E56-A60 WeakPolarHBondContact O-CB 3.46Å; E56-A60 PolarHBondContact O-N 3Å
57D31.8Very low31.7Very low107 Ų107125.7 Ų125.757%0.57264%0.642SS**Hα-helixtrans-65.5-33.9175.2-72.1-22.6000112.8A61D57-A61 PolarHBondContact O-N 2.95Å
58F30.8Very low31.8Very low175 Ų175124.5 Ų124.577%0.76865%0.647SS**Hα-helixtrans-76.6-26.5174.6-103.9-88.4000113.7N54 E56N54-F58 PolarHBondContact O-N 3.44Å; E56-F58 VanDerWaalsContact C-N 3.33Å; E56-F58 PolarHBondContact O-N 3.03Å
59R31Very low31.7Very low216 Ų216124.1 Ų124.182%0.81564%0.644SS**Hα-helixtrans-78-29.9171.6-87.3-176.4178176.61.5112.3T55 E56 A61T55-R59 PolarHBondContact O-N 3.47Å; E56-R59 PolarHBondContact O-N 3.25Å; R59-A61 VanDerWaalsContact C-N 3.35Å
60A30.4Very low31.8Very low79 Ų79118.8 Ų118.865%0.65362%0.622SS**Hα-helixtrans-74.3-23.3177.700000113.3E56 S62E56-A60 WeakPolarHBondContact O-CB 3.46Å; E56-A60 PolarHBondContact O-N 3Å; A60-S62 PolarHBondContact O-N 3.28Å
61A27.5Very low31.7Very low70 Ų70115.7 Ų115.758%0.57961%0.61SS**THydrogen-bonded Turntrans-87.437.5172.600000112.9D57 R59 I63D57-A61 PolarHBondContact O-N 2.95Å; R59-A61 VanDerWaalsContact C-N 3.35Å; A61-I63 PolarHBondContact O-N 3.42Å
62S26.5Very low31.5Very low97 Ų97111.1 Ų111.168%0.67860%0.598SS**  trans-56.389.3-173.646.80000113.7A60A60-S62 PolarHBondContact O-N 3.28Å
63I26.8Very low31.5Very low127 Ų127108.4 Ų108.465%0.65159%0.585SS**  trans-88.7121159.6-59174000106.8A61 D65 V66A61-I63 PolarHBondContact O-N 3.42Å; I63-D65 PolarHBondContact O-N 3.13Å; I63-V66 HydrophobicContact CB-CG2 4.42Å
64P27.9Very low31.4Very low117 Ų117101.6 Ų101.676%0.7656%0.557SS**THydrogen-bonded Turntrans-716.6-165.123.9-31.8000117.3
65D30.9Very low31.2Very low142 Ų142101.2 Ų101.276%0.75955%0.554SS**THydrogen-bonded Turntrans-129.615.8-168.8-70.4-46.1000115.8I63 H67I63-D65 PolarHBondContact O-N 3.13Å; D65-H67 PolarHBondContact O-N 3.33Å
66V27.6Very low30.9Very low93 Ų93100.8 Ų100.856%0.56455%0.548SS*.  trans-9394.8-175.2-170.20000111.6I63 P68I63-V66 HydrophobicContact CB-CG2 4.42Å; V66-P68 WeakPolarHBondContact O-CD 3.39Å
67H31.1Very low30.5Very low162 Ų16296.8 Ų96.875%0.7555%0.546SS*.  trans-81.4118.7166-96.6-75.2000110.9D65 V69D65-H67 PolarHBondContact O-N 3.33Å; H67-V69 PolarHBondContact O-N 3.46Å
68P32.2Very low30.4Very low98 Ų98101 Ų10164%0.63656%0.562SS**  trans-74.798.6175.828.9-32.3000110.5V66V66-P68 WeakPolarHBondContact O-CD 3.39Å
69V31.9Very low30.4Very low77 Ų7799.8 Ų99.847%0.46756%0.558SS.*  trans-86.5113164.1179.30000107.8H67H67-V69 PolarHBondContact O-N 3.46Å
70V32.6Very low30.4Very low44 Ų44100 Ų10027%0.26756%0.559SS.*  trans-105.2113.5173.9174.40000110.3V2V2-V70 HydrophobicContact CB-CB 4.38Å; V2-V70 HydrophobicContact CB-CG2 4.08Å; V2-V70 HydrophobicContact CG1-CB 3.59Å; V2-V70 HydrophobicContact CG1-CG1 3.81Å; V2-V70 HydrophobicContact CG1-CG2 3.19Å; V2-V70 HydrophobicContact CG2-CB 4.01Å; V2-V70 HydrophobicContact CG2-CG2 3.71Å
71L32.7Very low30.4Very low71 Ų71101 Ų10137%0.37255%0.553SS.*  trans-92.2104.7164.3-128.3102.4000107.3L24 Q73L24-L71 HydrophobicContact CB-CB 3.81Å; L24-L71 HydrophobicContact CD2-CB 4.36Å; L24-L71 HydrophobicContact CG-CB 4.48Å; L71-Q73 HydrophobicContact CD2-CG 4.42Å; L71-Q73 PolarHBondContact O-N 3.41Å
72C33.2Very low30.5Very low39 Ų39102.5 Ų102.526%0.26456%0.564SS.*EExtended strand (participates in β ladder)trans-83.5104.9167-72.50000108.5M9M9-C72 HydrophobicContact SD-CB 4.19Å
73Q35.4Very low30.6Very low85 Ų85102.4 Ų102.440%0.39756%0.56SS.*EExtended strand (participates in β ladder)trans-91.8108.4163-83.5175.2-1.600108.3A22 L71 L75A22-Q73 HydrophobicContact CB-CB 4.26Å; L71-Q73 HydrophobicContact CD2-CG 4.42Å; L71-Q73 PolarHBondContact O-N 3.41Å; Q73-L75 PolarHBondContact O-N 3.23Å
74L32.7Very low30.7Very low30 Ų30104.8 Ų104.816%0.15757%0.565CS.*EExtended strand (participates in β ladder)trans-78.9102.4166.4-127.183.2000107.6M9 V13 V19 M76M9-L74 HydrophobicContact CB-CD1 4.05Å; M9-L74 HydrophobicContact CE-CB 3.94Å; M9-L74 HydrophobicContact CE-CD1 3.66Å; M9-L74 HydrophobicContact CE-CD2 4.16Å; M9-L74 HydrophobicContact CE-CG 4.12Å; M9-L74 HydrophobicContact SD-CD1 4.15Å; V13-L74 HydrophobicContact CG2-CD2 4.13Å; V19-L74 HydrophobicContact CG1-CD1 4.19Å; V19-L74 HydrophobicContact CG1-CG 4.31Å; L74-M76 HydrophobicContact CD2-CG 3.94Å; L74-M76 PolarHBondContact O-N 2.7Å
75L31.3Very low30.8Very low79 Ų79103.2 Ų103.241%0.41456%0.562SS.*EExtended strand (participates in β ladder)trans-87.782.9166.9-77.3164.1000107.9H20 Q73H20-L75 HydrophobicContact CB-CB 4.34Å; Q73-L75 PolarHBondContact O-N 3.23Å
76M29.7Very low30.7Very low63 Ų63103.1 Ų103.131%0.3156%0.557SS.*  trans-77.7137.1160.8-68.8-87.8-69.700107.3V13 H17 L74 H78 H79V13-M76 HydrophobicContact CG1-CE 4.34Å; V13-M76 HydrophobicContact CG1-SD 3.83Å; V13-M76 HydrophobicContact CG2-SD 4.38Å; H17-M76 HydrophobicContact CB-SD 4.23Å; L74-M76 HydrophobicContact CD2-CG 3.94Å; L74-M76 PolarHBondContact O-N 2.7Å; M76-H78 PolarHBondContact O-N 3.2Å; M76-H79 PolarHBondContact O-N 2.98Å
77G26.9Very low30.6Very low62 Ų62107.7 Ų107.764%0.63957%0.572SS**THydrogen-bonded Turntrans-33.4132.1-174.200000115.2H79G77-H79 VanDerWaalsContact C-N 3.29Å; G77-H79 PolarHBondContact O-N 3.32Å; G77-H79 VanDerWaalsContact O-N 3.1Å
78H29.6Very low30.4Very low196 Ų196107 Ų10791%0.90757%0.568SS**THydrogen-bonded Turntrans64.92.2169.3-56.297.4000119M76M76-H78 PolarHBondContact O-N 3.2Å
79H29.9Very low30.1Very low148 Ų148113.7 Ų113.769%0.68558%0.581SS**  trans-123109.1177.8-68.3-63.3000113.5M76 G77 I81M76-H79 PolarHBondContact O-N 2.98Å; G77-H79 VanDerWaalsContact C-N 3.29Å; G77-H79 PolarHBondContact O-N 3.32Å; G77-H79 VanDerWaalsContact O-N 3.1Å; H79-I81 PolarHBondContact O-N 3.15Å
80R30.7Very low30Very low222 Ų222117.4 Ų117.484%0.83860%0.598SS**  trans-71.3110.1168.4-79-179170.2172.1-2.6109.4A82R80-A82 PolarHBondContact O-N 3.03Å
81I31.8Very low29.6Very low100 Ų100122.3 Ų122.351%0.51362%0.618SS.*  trans-79.2103.4166.6-55.6175.5000107.5H79 V83H79-I81 PolarHBondContact O-N 3.15Å; I81-V83 HydrophobicContact CG2-CG2 3.86Å; I81-V83 PolarHBondContact O-N 3.29Å
82A28.7Very low29.3Very low100 Ų100124.9 Ų124.983%0.82664%0.639SS**  trans-73.890.2168.600000108.9R80 K84R80-A82 PolarHBondContact O-N 3.03Å; A82-K84 PolarHBondContact O-N 3.1Å
83V29.8Very low29Very low96 Ų96128.5 Ų128.558%0.58266%0.663SS**  trans-75.3109.9167-1760000107.2I81 A85I81-V83 HydrophobicContact CG2-CG2 3.86Å; I81-V83 PolarHBondContact O-N 3.29Å; V83-A85 PolarHBondContact O-N 3.02Å
84K28.2Very low28.5Very low176 Ų176130.2 Ų130.277%0.76568%0.68SS**  trans-63.6107.4171.8-159.7174.3-172.7177.60107.5A82 H86A82-K84 PolarHBondContact O-N 3.1Å; K84-H86 PolarHBondContact O-N 3.4Å
85A29.5Very low28.1Very low84 Ų84134.6 Ų134.669%0.69471%0.712SS**  trans-62.7103.917300000108.4V83 H87V83-A85 PolarHBondContact O-N 3.02Å; A85-H87 PolarHBondContact O-N 3.43Å
86H28.2Very low27.7Very low140 Ų140141.6 Ų141.665%0.64873%0.733SS**  trans-75.1107.1161.4-83.4-81.8000106.9K84 H88K84-H86 PolarHBondContact O-N 3.4Å; H86-H88 PolarHBondContact O-N 3.44Å
87H26.8Very low27.5Very low190 Ų190145.6 Ų145.688%0.8876%0.762SS**  trans-63.386.1160.6-86.8-73.2000108A85 R89A85-H87 PolarHBondContact O-N 3.43Å; H87-R89 PolarHBondContact O-N 3.25Å
88H27.4Very low27.4Very low146 Ų146148 Ų14868%0.67676%0.764SS**  trans-80.8112.2159-76.7-68.6000107H86 L90H86-H88 PolarHBondContact O-N 3.44Å; H88-L90 VanDerWaalsContact C-N 3.28Å; H88-L90 PolarHBondContact O-N 3.22Å
89R25.4Very low27.1Very low239 Ų239144.1 Ų144.190%0.90276%0.756SS**  trans-60.497.3161.7-164.7-179-171.7178.51.3105.8H87 E91H87-R89 PolarHBondContact O-N 3.25Å; R89-E91 PolarHBondContact O-N 3.28Å; R89-E91 VanDerWaalsContact O-N 3.13Å
90L29.9Very low27Very low156 Ų156143.9 Ų143.982%0.81777%0.765SS**  trans-73.6101.1176.2-76.1165.4000106.9H88H88-L90 VanDerWaalsContact C-N 3.28Å; H88-L90 PolarHBondContact O-N 3.22Å
91E24.8Very low26.8Very low147 Ų147139.2 Ų139.269%0.68777%0.766SS**  trans-61.4148.5160.4-70.3-149.9156.300109.4R89 C93R89-E91 PolarHBondContact O-N 3.28Å; R89-E91 VanDerWaalsContact O-N 3.13Å; E91-C93 PolarHBondContact O-N 3.29Å; E91-C93 PolarHBondContact O-SG 3.37Å
92P25.5Very low26.8Very low125 Ų125136.9 Ų136.981%0.81277%0.767SS**  trans-69.794.3-177.729.9-34.2000109T94P92-T94 PolarHBondContact O-N 3.31Å; P92-T94 VanDerWaalsContact O-N 3.11Å
93C27.1Very low26.8Very low114 Ų114137.8 Ų137.877%0.7776%0.764SS**  trans-78100.8178.3-64.60000109.5E91 S95E91-C93 PolarHBondContact O-N 3.29Å; E91-C93 PolarHBondContact O-SG 3.37Å; C93-S95 PolarHBondContact O-N 3.45Å
94T25Very low27Very low122 Ų122138.9 Ų138.975%0.74877%0.773SS**  trans-42.1131.516050.20000110.9P92 R96P92-T94 PolarHBondContact O-N 3.31Å; P92-T94 VanDerWaalsContact O-N 3.11Å; T94-R96 PolarHBondContact O-N 3.41Å
95S24Very low27.6Very low121 Ų121137 Ų13785%0.84678%0.776SS**SBendtrans-21.798173.5570000115.5C93C93-S95 PolarHBondContact O-N 3.45Å
96R23.7Very low27.7Very low227 Ų227139.1 Ų139.186%0.85777%0.772SS**  trans-151.8104.7157.5-140.3173.6178.2-177.8-1.1110T94 V98T94-R96 PolarHBondContact O-N 3.41Å; R96-V98 PolarHBondContact O-N 2.96Å
97T24.8Very low28Very low147 Ų147136.3 Ų136.390%0.90277%0.766SS**  trans-62.4113.1174.2-25.90000108.6
98V23.8Very low28.6Very low112 Ų112137.4 Ų137.468%0.67976%0.762SS**  trans-118.6124.9171.8-174.80000107.8R96 V100R96-V98 PolarHBondContact O-N 2.96Å; V98-V100 PolarHBondContact O-N 3.05Å
99P23.9Very low29.1Very low115 Ų115134.7 Ų134.775%0.74776%0.76SS**  trans-72126.5176.529.2-30.9000109.5S101P99-S101 PolarHBondContact O-N 3.36Å
100V28.9Very low29.8Very low143 Ų143128.5 Ų128.587%0.86775%0.745SS**  trans-8194174.11800000108.5V98 G102V98-V100 PolarHBondContact O-N 3.05Å; V100-G102 PolarHBondContact O-N 3.41Å
101S26.8Very low30.2Very low123 Ų123125.8 Ų125.886%0.8673%0.73SS**  trans-83.284.1162640000109.1P99P99-S101 PolarHBondContact O-N 3.36Å
102G30Very low30.6Very low52 Ų52127.6 Ų127.654%0.53674%0.736SS.*PPolyproline II helixtrans-90.8148.6171.400000111.8V100V100-G102 PolarHBondContact O-N 3.41Å
103P30.3Very low31.3Very low119 Ų119130.9 Ų130.977%0.77374%0.737SS**PPolyproline II helixtrans-63.9154.6-179.527.8-33.3000111.5V105P103-V105 PolarHBondContact O-N 3.48Å
104P34.1Very low31.9Very low118 Ų118132.4 Ų132.477%0.76673%0.733SS**PPolyproline II helixtrans-57.5135.9-178.523-32000111.2E106P104-E106 PolarHBondContact O-N 2.93Å
105V39.1Very low32.5Very low137 Ų137133.6 Ų133.683%0.8374%0.735SS**  trans-72108.5176.9178.40000108.4P103P103-V105 PolarHBondContact O-N 3.48Å
106E31.8Very low33Very low129 Ų129139.1 Ų139.160%0.60374%0.739SS**  trans-60.7138.7173.4-79.1-82.9140.800111.4P104P104-E106 PolarHBondContact O-N 2.93Å
107P36Very low33.5Very low81 Ų81139 Ų13953%0.52674%0.738SS.*  trans-62.8142.8174.6-1528.4000111.7S109 D110P107-S109 PolarHBondContact O-N 3.39Å; P107-D110 PolarHBondContact O-N 2.89Å
108W39.2Very low34Very low212 Ų212137.1 Ų137.180%0.80373%0.729SS**G310 helixtrans-62.6-5.5-177.5-85.242.3000115.5D110 L111W108-D110 PolarHBondContact O-N 3.22Å; W108-L111 HydrophobicContact CG-CD1 4.26Å
109S36.8Very low34.5Very low90 Ų90139.6 Ų139.663%0.62974%0.737SS**G310 helixtrans-64.2-24.5172.938.40000113.2P107P107-S109 PolarHBondContact O-N 3.39Å
110D39.6Very low35Very low109 Ų109139.5 Ų139.558%0.58374%0.739SS**G310 helixtrans-95.2-0.9-177-68.7-55.5000114.4P107 W108 K112P107-D110 PolarHBondContact O-N 2.89Å; W108-D110 PolarHBondContact O-N 3.22Å; D110-K112 VanDerWaalsContact C-N 3.31Å; D110-K112 PolarHBondContact O-N 3.01Å
111L38.3Very low35.3Very low98 Ų98143.9 Ų143.951%0.51374%0.74SS.*G310 helixtrans-84.83.1178.6-89.4144.6000114.3W108 K113W108-L111 HydrophobicContact CG-CD1 4.26Å; L111-K113 PolarHBondContact O-N 3.36Å
112K35.1Very low35.5Very low185 Ų185150.1 Ų150.180%0.80475%0.745SS**THydrogen-bonded Turntrans-84.490.2173.2-72.9-163.6179.4-177.30110.4D110D110-K112 VanDerWaalsContact C-N 3.31Å; D110-K112 PolarHBondContact O-N 3.01Å
113K40Very low35.6Very low194 Ų194150.8 Ų150.884%0.84375%0.752SS**THydrogen-bonded Turntrans14333.4159.4-79.8170.3-177.4-176.90112.9L111 D115L111-K113 PolarHBondContact O-N 3.36Å; K113-D115 PolarHBondContact O-N 2.91Å
114H38.4Very low35.7Very low147 Ų147153.1 Ų153.168%0.68176%0.758SS**  trans-77.886.3164.9-78.7-69000109.7Y116H114-Y116 PolarHBondContact O-N 3.17Å
115D37.3Very low35.4Very low147 Ų147156.7 Ų156.779%0.78677%0.765SS**  trans-45.9122.6159.4-76.8-34.9000108.5K113 R117K113-D115 PolarHBondContact O-N 2.91Å; D115-R117 PolarHBondContact O-N 3.18Å
116Y34.1Very low35Very low237 Ų237157.4 Ų157.493%0.92976%0.762SS**  trans-63.679172.8-91.6-95.1000109.2H114 P118H114-Y116 PolarHBondContact O-N 3.17Å; Y116-P118 WeakPolarHBondContact O-CD 3.4Å
117R34.9Very low35Very low223 Ų223156.6 Ų156.684%0.84277%0.768SS**  trans-92.7112.2164.7-145.4176.2-163.4-173.65.1106.7D115 L119D115-R117 PolarHBondContact O-N 3.18Å; R117-L119 PolarHBondContact O-N 3Å
118P34.8Very low34.7Very low109 Ų109158.8 Ų158.871%0.70878%0.784SS**  trans-60.1108.5174.322.6-29.8000108Y116 S120Y116-P118 WeakPolarHBondContact O-CD 3.4Å; P118-S120 VanDerWaalsContact C-N 3.33Å; P118-S120 PolarHBondContact O-N 3.18Å; P118-S120 PolarHBondContact O-OG 3Å
119L36.1Very low34.3Very low163 Ų163159 Ų15985%0.85379%0.785SS**  trans-60.3100173.2-79.6165.9000107.7R117 R121R117-L119 PolarHBondContact O-N 3Å; L119-R121 PolarHBondContact O-N 3.3Å
120S32.8Very low33.9Very low113 Ų113161.7 Ų161.779%0.7980%0.797SS**  trans-71.881.4175.6-55.50000107.9P118 R122P118-S120 VanDerWaalsContact C-N 3.33Å; P118-S120 PolarHBondContact O-N 3.18Å; P118-S120 PolarHBondContact O-OG 3Å; S120-R122 PolarHBondContact O-N 3.37Å
121R36.5Very low33.4Very low235 Ų235159.5 Ų159.589%0.88780%0.8SS**  trans-77.8110.6168.7-83.7-172.8162.3-168.9-4.6108L119L119-R121 PolarHBondContact O-N 3.3Å
122R30.7Very low33Very low254 Ų254161.1 Ų161.196%0.95882%0.818SS**  trans-52.9135.5170.3-66.2-176.9-173.1-151.72.1109.4S120S120-R122 PolarHBondContact O-N 3.37Å
123G31.6Very low33Very low67 Ų67158.3 Ų158.369%0.69182%0.817SS**SBendtrans124.1103.8167.100000113.3
124N32.2Very low32.7Very low167 Ų167157.8 Ų157.889%0.89381%0.814SS**  trans76.198.5166.1-62.6-3.3000117.6
125Q28.6Very low32.7Very low193 Ų193157.2 Ų157.290%0.90282%0.816SS**  trans-57.8125168.8-64.2165.84.700111.4
126I29.7Very low32.7Very low152 Ų152153.8 Ų153.878%0.77981%0.808SS**  trans-132.3118.2142.9-58.9178.6000106.1C128I126-C128 PolarHBondContact O-N 3.49Å
127P33.1Very low32.8Very low112 Ų112147.9 Ų147.973%0.72779%0.793SS**  trans-81.687.7-179.732.3-30.4000109.2R129P127-R129 PolarHBondContact O-N 3.19Å
128C29.1Very low32.9Very low128 Ų128139.9 Ų139.987%0.86577%0.774SS**  trans-8178.5164.7-137.50000108.5I126I126-C128 PolarHBondContact O-N 3.49Å
129R30.8Very low33Very low217 Ų217142.9 Ų142.982%0.81977%0.773SS**  trans-65.4146.6164.4-75.4-176.9169.7177.6-2.3108.5P127P127-R129 PolarHBondContact O-N 3.19Å
130V27.9Very low33Very low145 Ų145137.9 Ų137.988%0.87976%0.755SS**SBendtrans85.4112.2157.4-155.30000116.7
131G30.6Very low33.2Very low64 Ų64138.4 Ų138.466%0.6675%0.745SS**  trans146.9-25.7149.400000117.8V133G131-V133 PolarHBondContact O-N 2.99Å; G131-V133 VanDerWaalsContact O-N 3.13Å
132C28.6Very low33.3Very low131 Ų131130.2 Ų130.289%0.88572%0.724SS**THydrogen-bonded Turntrans-93.955.1-161.3-50.10000114.6
133V35.2Very low33.6Very low127 Ų127120.3 Ų120.377%0.7770%0.696SS**THydrogen-bonded Turntrans-141-5.9173.2-160.70000114.6G131G131-V133 PolarHBondContact O-N 2.99Å; G131-V133 VanDerWaalsContact O-N 3.13Å
134K33.6Very low33.8Very low183 Ų183123.2 Ų123.280%0.79669%0.691SS**SBendtrans-100.6-5.7-173-70.9-172.7177.3-176.70117
135N39.5Very low34.2Very low135 Ų135124.2 Ų124.272%0.72268%0.683SS**Hα-helixtrans-101-10.4-173.8-70-12.8000115.2Y139N135-Y139 PolarHBondContact O-N 3.27Å
136A35.6Very low34.9Very low74 Ų74118.5 Ų118.561%0.61267%0.669SS**Hα-helixtrans-73.1-44.3177.900000111.4Y139 A140A136-Y139 PolarHBondContact O-N 3.05Å; A136-A140 PolarHBondContact O-N 3.32Å
137D36.7Very low35.5Very low114 Ų114117.7 Ų117.761%0.6166%0.662SS**Hα-helixtrans-71.2-33.7-179.5-62.1-25.9000112.4Y139 A140 Q141D137-Y139 VanDerWaalsContact C-N 3.28Å; D137-Y139 PolarHBondContact O-N 3.45Å; D137-A140 PolarHBondContact O-N 2.65Å; D137-Q141 WeakPolarHBondContact O-CG 3.38Å; D137-Q141 PolarHBondContact O-N 2.77Å
138A36.8Very low36.1Very low55 Ų55118.6 Ų118.646%0.45566%0.66SS.*Hα-helixtrans-65.5-32.8176.200000112.2S142A138-S142 WeakPolarHBondContact O-CB 3.49Å; A138-S142 PolarHBondContact O-N 2.93Å; A138-S142 PolarHBondContact O-OG 3.46Å
139Y36.7Very low36.8Very low172 Ų172119.6 Ų119.668%0.67566%0.657SS**Hα-helixtrans-77.2-33.6177.2-142.8-90.1000111.9N135 A136 D137 S142 A143N135-Y139 PolarHBondContact O-N 3.27Å; A136-Y139 PolarHBondContact O-N 3.05Å; D137-Y139 VanDerWaalsContact C-N 3.28Å; D137-Y139 PolarHBondContact O-N 3.45Å; Y139-S142 WeakPolarHBondContact CA-OG 3.42Å; Y139-S142 PolarHBondContact O-OG 3.32Å; Y139-A143 WeakPolarHBondContact O-CB 3.47Å; Y139-A143 PolarHBondContact O-N 2.82Å; Y139-A143 VanDerWaalsContact O-N 3.1Å
140A36.4Very low37.2Very low58 Ų58112.1 Ų112.148%0.47965%0.647SS.*Hα-helixtrans-67.1-47.9174.300000111.7A136 D137 S142 A143 E144A136-A140 PolarHBondContact O-N 3.32Å; D137-A140 PolarHBondContact O-N 2.65Å; A140-S142 VanDerWaalsContact C-N 3.33Å; A140-S142 PolarHBondContact O-N 3.28Å; A140-A143 PolarHBondContact O-N 3.07Å; A140-E144 PolarHBondContact O-N 2.85Å
141Q38.4Very low37.9Very low124 Ų124112.2 Ų112.258%0.57964%0.642SS**Hα-helixtrans-67.6-29.5179.4-72.8-176.53.700113.7D137 R145D137-Q141 WeakPolarHBondContact O-CG 3.38Å; D137-Q141 PolarHBondContact O-N 2.77Å; Q141-R145 WeakPolarHBondContact O-CB 3.42Å; Q141-R145 PolarHBondContact O-N 3.24Å; Q141-R145 VanDerWaalsContact O-N 3.15Å
142S37.3Very low38.4Very low63 Ų63116.7 Ų116.744%0.44165%0.65SS.*Hα-helixtrans-78.9-31.1175.447.30000112.7A138 Y139 A140 A146A138-S142 WeakPolarHBondContact O-CB 3.49Å; A138-S142 PolarHBondContact O-N 2.93Å; A138-S142 PolarHBondContact O-OG 3.46Å; Y139-S142 WeakPolarHBondContact CA-OG 3.42Å; Y139-S142 PolarHBondContact O-OG 3.32Å; A140-S142 VanDerWaalsContact C-N 3.33Å; A140-S142 PolarHBondContact O-N 3.28Å; S142-A146 VanDerWaalsContact O-CB 3.27Å; S142-A146 WeakPolarHBondContact O-CB 3.35Å; S142-A146 PolarHBondContact O-N 2.88Å
143A37.7Very low38.9Very low46 Ų46121 Ų12138%0.3865%0.648SS.*Hα-helixtrans-68-39.5171.300000111.9Y139 A140 A146 Q147Y139-A143 WeakPolarHBondContact O-CB 3.47Å; Y139-A143 PolarHBondContact O-N 2.82Å; Y139-A143 VanDerWaalsContact O-N 3.1Å; A140-A143 PolarHBondContact O-N 3.07Å; A143-A146 PolarHBondContact O-N 3.05Å; A143-Q147 WeakPolarHBondContact O-CG 3.49Å; A143-Q147 PolarHBondContact O-N 2.83Å
144E35.5Very low38.9Very low127 Ų127120.6 Ų120.659%0.59365%0.651SS**Hα-helixtrans-65.1-44.7175-117.6-179.8173.600112.1A140 A146 Q147 L148A140-E144 PolarHBondContact O-N 2.85Å; E144-A146 VanDerWaalsContact C-N 3.33Å; E144-A146 PolarHBondContact O-N 3.29Å; E144-Q147 PolarHBondContact O-N 3.27Å; E144-L148 PolarHBondContact O-N 3.28Å
145R41Very low39.1Very low188 Ų188116.9 Ų116.971%0.70965%0.647SS**Hα-helixtrans-67.5-30.1176.4-85.8-179.2169.1157.6-1.2113.7Q141 Q147Q141-R145 WeakPolarHBondContact O-CB 3.42Å; Q141-R145 PolarHBondContact O-N 3.24Å; Q141-R145 VanDerWaalsContact O-N 3.15Å; R145-Q147 VanDerWaalsContact C-N 3.33Å
146A41.9Very low38.8Very low74 Ų74117 Ų11761%0.61265%0.653SS**Hα-helixtrans-73.8-24.9176.600000112.7S142 A143 E144S142-A146 VanDerWaalsContact O-CB 3.27Å; S142-A146 WeakPolarHBondContact O-CB 3.35Å; S142-A146 PolarHBondContact O-N 2.88Å; A143-A146 PolarHBondContact O-N 3.05Å; E144-A146 VanDerWaalsContact C-N 3.33Å; E144-A146 PolarHBondContact O-N 3.29Å
147Q43.3Very low39.1Very low135 Ų135119 Ų11963%0.63166%0.657SS**Hα-helixtrans-80.1-36.7175.1-72.7179.4-1100112.5A143 E144 R145 N149 G150A143-Q147 WeakPolarHBondContact O-CG 3.49Å; A143-Q147 PolarHBondContact O-N 2.83Å; E144-Q147 PolarHBondContact O-N 3.27Å; R145-Q147 VanDerWaalsContact C-N 3.33Å; Q147-N149 VanDerWaalsContact C-N 3.3Å; Q147-N149 PolarHBondContact O-N 3.48Å; Q147-G150 PolarHBondContact O-N 3.1Å
148L45.5Very low38.9Very low130 Ų130120.6 Ų120.668%0.68167%0.666SS**Hα-helixtrans-68.6-21.3-176.9-85.3155.2000114.8E144E144-L148 PolarHBondContact O-N 3.28Å
149N44.8Very low38.9Very low150 Ų150127 Ų12780%0.80269%0.687SS**THydrogen-bonded Turntrans-103.72.8179.5-73.8-24.5000114.3Q147Q147-N149 VanDerWaalsContact C-N 3.3Å; Q147-N149 PolarHBondContact O-N 3.48Å
150G38.8Very low38.8Very low59 Ų59122.7 Ų122.761%0.60869%0.694SS**SBendtrans-102-5.3-17600000115.8Q147Q147-G150 PolarHBondContact O-N 3.1Å
151L41.2Very low38.5Very low148 Ų148129.8 Ų129.878%0.77571%0.714SS**  trans-107.46.9-166.5-79.4159.8000115.6R153L151-R153 PolarHBondContact O-N 3.44Å
152N41.1Very low38.5Very low157 Ų157128.7 Ų128.784%0.8473%0.726SS**  trans-93.951.6176.5-78-27.1000113.1
153R40.8Very low38.3Very low223 Ų223131.3 Ų131.384%0.84274%0.74SS**  trans-127.182.6169.3-74.1-172.5168.9-177.5-3.5110.3L151 S155L151-R153 PolarHBondContact O-N 3.44Å; R153-S155 PolarHBondContact O-N 2.99Å
154S33.9Very low38Very low118 Ų118136 Ų13683%0.82576%0.764SS**  trans23.994.4140.860.90000116.5
155S39Very low38Very low104 Ų104135.4 Ų135.473%0.72777%0.774SS**  trans-129.998.414768.30000108R153 V157R153-S155 PolarHBondContact O-N 2.99Å; S155-V157 VanDerWaalsContact C-N 3.33Å; S155-V157 PolarHBondContact O-N 2.83Å
156V33.6Very low37.5Very low139 Ų139133 Ų13384%0.84278%0.78SS**  trans-64.296.6165.3177.70000106.8
157V40.3Very low37.4Very low115 Ų115141 Ų14170%0.69779%0.794SS**  trans-134.697.3164.9-176.10000106.9S155 Q159S155-V157 VanDerWaalsContact C-N 3.33Å; S155-V157 PolarHBondContact O-N 2.83Å; V157-Q159 PolarHBondContact O-N 3.32Å
158N32Very low37.1Very low147 Ų147140 Ų14079%0.78680%0.802SS**  trans-59.2115.4164.5-82-35.8000108.7
159Q38.5Very low36.5Very low191 Ų191137.7 Ų137.789%0.89381%0.809SS**  trans-172.2126.3148.4-105.6166.741.100111.2V157V157-Q159 PolarHBondContact O-N 3.32Å
160G34Very low36.2Very low80 Ų80134.1 Ų134.183%0.82581%0.808SS**  trans96.577153.300000117.5A162G160-A162 PolarHBondContact O-N 3.48Å
161K30.4Very low35.8Very low207 Ų207138.5 Ų138.590%0.982%0.823SS**  trans-56129.7158.2-90.2176.3172.6176.60110.8
162A38.4Very low35.9Very low102 Ų102136.3 Ų136.384%0.84382%0.82SS**  trans-147.991.6141.400000108.9G160G160-A162 PolarHBondContact O-N 3.48Å
163T32.5Very low35.7Very low118 Ų118138.1 Ų138.172%0.72482%0.824SS**  trans-65.3130.7166.939.40000110.4
164T32.6Very low35.9Very low144 Ų144133.6 Ų133.688%0.88382%0.821SS**  trans178.6123.3133.923.80000111.4
165S34.1Very low36.4Very low115 Ų115132.1 Ų132.180%0.80482%0.816SS**  trans147.187.9132.9-170.90000109.5
166V31.3Very low36.4Very low138 Ų138132.9 Ų132.984%0.83682%0.821SS**  trans-80117.6165.4-178.60000106.1
167R39.8Very low37Very low242 Ų242134.7 Ų134.791%0.91382%0.82SS**  trans-124.4108.3162-153.8172.5-175.5174.40.8109.2
168S36.1Very low37.5Very low114 Ų114134.3 Ų134.380%0.79782%0.822SS**  trans-50.4140177.8-40.90000112.9
169G34.5Very low38.4Very low80 Ų80134.3 Ų134.383%0.82582%0.822SS**  trans177.4107.6167.300000113.8
170G36.5Very low38.9Very low75 Ų75131.2 Ų131.277%0.77382%0.817SS**  trans92.487148.700000116.7S172G170-S172 PolarHBondContact O-N 2.94Å
171T31.9Very low39.8Very low151 Ų151132.9 Ų132.993%0.92681%0.81SS**  trans-51.2117.5153.3430000110.3
172S43.2Very low40.7Very low103 Ų103130.6 Ų130.672%0.7280%0.801SS**  trans-134.9110.7160.8-170.40000107.8G170 T174G170-S172 PolarHBondContact O-N 2.94Å; S172-T174 PolarHBondContact O-N 3.04Å
173E36.9Very low41.6Very low195 Ų195134.5 Ų134.591%0.91180%0.799SS**  trans-6496.3177-62.5173.1155.300109A175E173-A175 PolarHBondContact O-N 3.33Å
174T44.6Very low42.7Very low128 Ų128134.7 Ų134.779%0.78580%0.795SS**  trans-86.298.6164.951.80000108.5S172 S176S172-T174 PolarHBondContact O-N 3.04Å; T174-S176 PolarHBondContact O-N 2.84Å
175A43.9Very low43.8Very low87 Ų87132.7 Ų132.772%0.71978%0.779SS**  trans-47.9120168.500000110.9E173 H177E173-A175 PolarHBondContact O-N 3.33Å; A175-H177 PolarHBondContact O-N 2.9Å
176S38.5Very low44.6Very low119 Ų119134.1 Ų134.183%0.83277%0.773SS**  trans-66.696.2169.6-84.40000109.8T174T174-S176 PolarHBondContact O-N 2.84Å
177H46.3Very low45.6Very low177 Ų177135.4 Ų135.482%0.81977%0.767SS**  trans-87101.4158.9-93.2-3.5000109.3A175 N179A175-H177 PolarHBondContact O-N 2.9Å; H177-N179 PolarHBondContact O-N 2.97Å
178S51.4Low46.4Very low107 Ų107127.2 Ų127.275%0.74875%0.752SS**  trans-73.796.9163.749.10000108.9T180S178-T180 PolarHBondContact O-N 3.46Å
179N50.6Low47.5Very low148 Ų148125.3 Ų125.379%0.79174%0.735SS**  trans-68102.3163.7-86.1-19.4000108H177 V181H177-N179 PolarHBondContact O-N 2.97Å; N179-V181 PolarHBondContact O-N 3.31Å; N179-V181 VanDerWaalsContact O-N 3.09Å
180T48.9Very low49.1Very low126 Ų126125.9 Ų125.977%0.77372%0.719SS**  trans-60.2110165.725.40000107.9S178 K182S178-T180 PolarHBondContact O-N 3.46Å; T180-K182 PolarHBondContact O-N 2.84Å
181V52.9Low51.1Low114 Ų114126 Ų12669%0.69171%0.706SS**  trans-55.2115172175.80000107.4N179 K183N179-V181 PolarHBondContact O-N 3.31Å; N179-V181 VanDerWaalsContact O-N 3.09Å; V181-K183 PolarHBondContact O-N 2.9Å
182K48.9Very low53.5Low160 Ų160126.7 Ų126.770%0.69670%0.696SS**  trans-60130.1177.4-71-177.5177.8-179.50108T180 D184 D185T180-K182 PolarHBondContact O-N 2.84Å; K182-D184 PolarHBondContact O-N 3.34Å; K182-D185 PolarHBondContact O-N 3.37Å; K182-D185 VanDerWaalsContact O-N 3.1Å
183K57.8Low55.3Low184 Ų184130.2 Ų130.280%0.869%0.694SS**THydrogen-bonded Turntrans-56.8-14.6-178.3-72.9-177175.8178.80113.7V181V181-K183 PolarHBondContact O-N 2.9Å
184D56.9Low57.6Low122 Ų122124.8 Ų124.865%0.65267%0.67SS**THydrogen-bonded Turntrans-77.4-24.1178-69.3-41000114.3K182 Q186 K187K182-D184 PolarHBondContact O-N 3.34Å; D184-Q186 PolarHBondContact O-N 3.4Å; D184-K187 PolarHBondContact O-N 3.5Å
185D54Low59.6Low102 Ų102120.8 Ų120.855%0.54565%0.65SS.*Hα-helixtrans-71-20.8177.8-71-33.1000112.4K182 K187 V189K182-D185 PolarHBondContact O-N 3.37Å; K182-D185 VanDerWaalsContact O-N 3.1Å; D185-K187 VanDerWaalsContact C-N 3.33Å; D185-K187 PolarHBondContact O-N 2.72Å; D185-V189 WeakPolarHBondContact O-CG2 3.49Å
186Q51Low61.8Low144 Ų144121.5 Ų121.567%0.67364%0.641SS**Hα-helixtrans-70.2-26.4175.4-80.4-175.7-12.700113.2D184D184-Q186 PolarHBondContact O-N 3.4Å
187K53.4Low64.3Low165 Ų165118.6 Ų118.672%0.71762%0.624SS**Hα-helixtrans-73.6-35.7178.5-79.1-177.1176.9176.60112.2D184 D185 N190 P191D184-K187 PolarHBondContact O-N 3.5Å; D185-K187 VanDerWaalsContact C-N 3.33Å; D185-K187 PolarHBondContact O-N 2.72Å; K187-N190 WeakPolarHBondContact O-CB 3.32Å; K187-N190 PolarHBondContact O-N 3.28Å; K187-P191 WeakPolarHBondContact O-CD 3.44Å
188A55.7Low66.4Low71 Ų71115.4 Ų115.459%0.58761%0.61SS**Hα-helixtrans-77.1-21-17800000114.1N190 P191A188-N190 VanDerWaalsContact C-N 3.28Å; A188-P191 VanDerWaalsContact O-CD 3.29Å; A188-P191 WeakPolarHBondContact O-CD 3.48Å; A188-P191 WeakPolarHBondContact O-CG 3.42Å
189V59.4Low68.4Low74 Ų74116 Ų11645%0.44860%0.601SS.*Hα-helixtrans-76.4-18.1175.4175.40000112D185 R193D185-V189 WeakPolarHBondContact O-CG2 3.49Å; V189-R193 HydrophobicContact CG1-CG 4.29Å; V189-R193 WeakPolarHBondContact O-CG 3.41Å; V189-R193 PolarHBondContact O-N 3.37Å
190N68.9Low70.5Confident91 Ų91114.1 Ų114.149%0.48759%0.59SS.*Hα-helixtrans-69.6-45.5-176-140.3-9.6000114.9K187 A188 K192 R193 I194K187-N190 WeakPolarHBondContact O-CB 3.32Å; K187-N190 PolarHBondContact O-N 3.28Å; A188-N190 VanDerWaalsContact C-N 3.28Å; N190-K192 PolarHBondContact O-N 3.11Å; N190-R193 PolarHBondContact O-N 3.24Å; N190-I194 HydrophobicContact CB-CD1 4.4Å; N190-I194 WeakPolarHBondContact O-CB 3.43Å; N190-I194 WeakPolarHBondContact O-CD1 3.36Å; N190-I194 WeakPolarHBondContact O-CG1 3.27Å; N190-I194 PolarHBondContact O-N 2.94Å
191P78.1Confident72.6Confident78 Ų78112.4 Ų112.451%0.50658%0.577SS.*Hα-helixtrans-62.5-41.1-176.221.7-34.6000113.6K187 A188 I194 A195K187-P191 WeakPolarHBondContact O-CD 3.44Å; A188-P191 VanDerWaalsContact O-CD 3.29Å; A188-P191 WeakPolarHBondContact O-CD 3.48Å; A188-P191 WeakPolarHBondContact O-CG 3.42Å; P191-I194 PolarHBondContact O-N 3.15Å; P191-A195 WeakPolarHBondContact O-CB 3.45Å; P191-A195 PolarHBondContact O-N 3.37Å
192K81.5Confident74.5Confident166 Ų166113.2 Ų113.272%0.72257%0.573SS**Hα-helixtrans-67.5-38178-71-174.6178.9-179.70112.1N190 A195 L196N190-K192 PolarHBondContact O-N 3.11Å; K192-A195 PolarHBondContact O-N 3.13Å; K192-L196 WeakPolarHBondContact O-CB 3.49Å; K192-L196 WeakPolarHBondContact O-CG 3.46Å; K192-L196 PolarHBondContact O-N 2.85Å
193R81.4Confident76.7Confident176 Ų176110.7 Ų110.766%0.66457%0.565SS**Hα-helixtrans-67.1-41.2175.4-75.7-174.2175.8-163.5-0.7111.8V189 N190 L196 A197V189-R193 HydrophobicContact CG1-CG 4.29Å; V189-R193 WeakPolarHBondContact O-CG 3.41Å; V189-R193 PolarHBondContact O-N 3.37Å; N190-R193 PolarHBondContact O-N 3.24Å; R193-L196 PolarHBondContact O-N 3.43Å; R193-A197 WeakPolarHBondContact O-CB 3.45Å; R193-A197 PolarHBondContact O-N 3.03Å
194I84.7Confident78.5Confident81 Ų81107.4 Ų107.442%0.41555%0.552SS.*Hα-helixtrans-62.8-46175.3-67.2164.2000110.3N190 P191 L196 A197 Q198N190-I194 HydrophobicContact CB-CD1 4.4Å; N190-I194 WeakPolarHBondContact O-CB 3.43Å; N190-I194 WeakPolarHBondContact O-CD1 3.36Å; N190-I194 WeakPolarHBondContact O-CG1 3.27Å; N190-I194 PolarHBondContact O-N 2.94Å; P191-I194 PolarHBondContact O-N 3.15Å; I194-L196 PolarHBondContact O-N 3.2Å; I194-A197 PolarHBondContact O-N 3.23Å; I194-Q198 WeakPolarHBondContact O-CG 3.42Å; I194-Q198 PolarHBondContact O-N 2.91Å
195A87Confident80.2Confident44 Ų44105.4 Ų105.436%0.36454%0.541SS..Hα-helixtrans-61.6-43177.500000112.3P191 K192 Q198 Q199P191-A195 WeakPolarHBondContact O-CB 3.45Å; P191-A195 PolarHBondContact O-N 3.37Å; K192-A195 PolarHBondContact O-N 3.13Å; A195-Q198 PolarHBondContact O-N 3.41Å; A195-Q199 WeakPolarHBondContact O-CG 3.4Å; A195-Q199 PolarHBondContact O-N 3.35Å
196L90.8Very high82.2Confident102 Ų102106.6 Ų106.653%0.53454%0.542SS..Hα-helixtrans-63.8-41.8174.7-76.3167.8000112K192 R193 I194 Q198 Q199 L200K192-L196 WeakPolarHBondContact O-CB 3.49Å; K192-L196 WeakPolarHBondContact O-CG 3.46Å; K192-L196 PolarHBondContact O-N 2.85Å; R193-L196 PolarHBondContact O-N 3.43Å; I194-L196 PolarHBondContact O-N 3.2Å; L196-Q198 VanDerWaalsContact C-N 3.33Å; L196-Q198 PolarHBondContact O-N 3.26Å; L196-Q199 PolarHBondContact O-N 2.89Å; L196-L200 WeakPolarHBondContact O-CG 3.42Å; L196-L200 PolarHBondContact O-N 3.42Å
197A90.2Very high84.2Confident58 Ų58103.4 Ų103.448%0.47953%0.529SS..Hα-helixtrans-63.9-38.6176.500000112R193 I194 L200 N201R193-A197 WeakPolarHBondContact O-CB 3.45Å; R193-A197 PolarHBondContact O-N 3.03Å; I194-A197 PolarHBondContact O-N 3.23Å; A197-L200 PolarHBondContact O-N 3.38Å; A197-N201 WeakPolarHBondContact O-CB 3.41Å; A197-N201 PolarHBondContact O-N 2.62Å
198Q91.5Very high86.1Confident111 Ų11199.2 Ų99.252%0.51951%0.514SS..Hα-helixtrans-62.8-47.1173.3-74.4173.3-19.100111.5I194 A195 L196 L200 N201 E202I194-Q198 WeakPolarHBondContact O-CG 3.42Å; I194-Q198 PolarHBondContact O-N 2.91Å; A195-Q198 PolarHBondContact O-N 3.41Å; L196-Q198 VanDerWaalsContact C-N 3.33Å; L196-Q198 PolarHBondContact O-N 3.26Å; Q198-L200 VanDerWaalsContact C-N 3.34Å; Q198-L200 PolarHBondContact O-N 3.19Å; Q198-N201 PolarHBondContact O-N 2.88Å; Q198-E202 WeakPolarHBondContact O-CG 3.4Å; Q198-E202 PolarHBondContact O-N 3.46Å
199Q92.5Very high87.9Confident120 Ų120102.8 Ų102.856%0.56152%0.517SS*.Hα-helixtrans-60.6-40.8176.9-74.5-178.9-33.300112.7A195 L196 E202 M203A195-Q199 WeakPolarHBondContact O-CG 3.4Å; A195-Q199 PolarHBondContact O-N 3.35Å; L196-Q199 PolarHBondContact O-N 2.89Å; Q199-E202 PolarHBondContact O-N 3.39Å; Q199-M203 WeakPolarHBondContact O-CB 3.29Å; Q199-M203 PolarHBondContact O-N 3.19Å
200L94.2Very high89.5Confident108 Ų108103.6 Ų103.657%0.56552%0.518SS*.Hα-helixtrans-64.5-41.6176-71.4175.1000111.7L196 A197 Q198 M203 E204L196-L200 WeakPolarHBondContact O-CG 3.42Å; L196-L200 PolarHBondContact O-N 3.42Å; A197-L200 PolarHBondContact O-N 3.38Å; Q198-L200 VanDerWaalsContact C-N 3.34Å; Q198-L200 PolarHBondContact O-N 3.19Å; L200-M203 HydrophobicContact CD2-CE 3.87Å; L200-M203 PolarHBondContact O-N 2.74Å; L200-E204 PolarHBondContact O-N 3.25Å
201N93.3Very high90.5Very high90 Ų90105.4 Ų105.448%0.48152%0.521SS..Hα-helixtrans-65.8-38.2176.4-171.135.2000112.1A197 Q198 E204 N205A197-N201 WeakPolarHBondContact O-CB 3.41Å; A197-N201 PolarHBondContact O-N 2.62Å; Q198-N201 PolarHBondContact O-N 2.88Å; N201-E204 PolarHBondContact O-N 3.31Å; N201-N205 WeakPolarHBondContact O-CB 3.46Å; N201-N205 PolarHBondContact O-N 3.43Å; N201-N205 PolarHBondContact O-ND2 3.48Å
202E93.9Very high91.1Very high130 Ų130104.6 Ų104.661%0.60752%0.521SS*.Hα-helixtrans-63.2-41.9173.2-74.4172.6-17000111.9Q198 Q199 N205 F206Q198-E202 WeakPolarHBondContact O-CG 3.4Å; Q198-E202 PolarHBondContact O-N 3.46Å; Q199-E202 PolarHBondContact O-N 3.39Å; E202-N205 PolarHBondContact O-N 3.47Å; E202-F206 PolarHBondContact O-N 3.38Å
203M94.5Very high91.5Very high107 Ų107103.7 Ų103.753%0.52752%0.517SS..Hα-helixtrans-65.5-40.7177.7-170.9172.864.300112Q199 L200 F206 I207Q199-M203 WeakPolarHBondContact O-CB 3.29Å; Q199-M203 PolarHBondContact O-N 3.19Å; L200-M203 HydrophobicContact CD2-CE 3.87Å; L200-M203 PolarHBondContact O-N 2.74Å; M203-F206 PolarHBondContact O-N 3.2Å; M203-I207 HydrophobicContact CG-CD1 4.27Å; M203-I207 WeakPolarHBondContact O-CG1 3.33Å; M203-I207 PolarHBondContact O-N 3.41Å
204E94.9Very high91.6Very high115 Ų11598.7 Ų98.754%0.53751%0.514SS..Hα-helixtrans-62.6-44174.9-174.5169.8-163.800111.7L200 N201 F206 I207 N208L200-E204 PolarHBondContact O-N 3.25Å; N201-E204 PolarHBondContact O-N 3.31Å; E204-F206 VanDerWaalsContact C-N 3.32Å; E204-F206 PolarHBondContact O-N 3.15Å; E204-I207 PolarHBondContact O-N 3.47Å; E204-N208 PolarHBondContact O-N 3.48Å; E204-N208 PolarHBondContact O-ND2 3.49Å
205N94.1Very high91.3Very high80 Ų8099 Ų9943%0.42852%0.523SS..Hα-helixtrans-62.9-37.5175.1-76.4-48.4000112.7N201 E202 N208 K209N201-N205 WeakPolarHBondContact O-CB 3.46Å; N201-N205 PolarHBondContact O-N 3.43Å; N201-N205 PolarHBondContact O-ND2 3.48Å; E202-N205 PolarHBondContact O-N 3.47Å; N205-N208 PolarHBondContact O-N 2.93Å; N205-K209 WeakPolarHBondContact O-CG 3.31Å; N205-K209 PolarHBondContact O-N 3.21Å
206F94.6Very high90.7Very high127 Ų127100.8 Ų100.856%0.55753%0.533SS*.Hα-helixtrans-64.8-44.5175.3-178.1-103.7000111.8E202 M203 E204 N208 K209 L210E202-F206 PolarHBondContact O-N 3.38Å; M203-F206 PolarHBondContact O-N 3.2Å; E204-F206 VanDerWaalsContact C-N 3.32Å; E204-F206 PolarHBondContact O-N 3.15Å; F206-N208 VanDerWaalsContact C-N 3.33Å; F206-N208 PolarHBondContact O-N 3.34Å; F206-K209 PolarHBondContact O-N 3.09Å; F206-L210 HydrophobicContact CD1-CD1 3.87Å; F206-L210 HydrophobicContact CD1-CG 4.37Å; F206-L210 HydrophobicContact CE1-CD1 3.37Å; F206-L210 HydrophobicContact CE1-CG 4.02Å; F206-L210 HydrophobicContact CZ-CD1 3.91Å; F206-L210 HydrophobicContact CZ-CD2 4.34Å; F206-L210 HydrophobicContact CZ-CG 4.17Å; F206-L210 PolarHBondContact O-N 3.25Å
207I93.2Very high89.2Confident77 Ų77103 Ų10340%0.39555%0.546SS..Hα-helixtrans-61.1-42.5175.8-68.4165.2000110.8M203 E204 K209 L210 K211M203-I207 HydrophobicContact CG-CD1 4.27Å; M203-I207 WeakPolarHBondContact O-CG1 3.33Å; M203-I207 PolarHBondContact O-N 3.41Å; E204-I207 PolarHBondContact O-N 3.47Å; I207-K209 PolarHBondContact O-N 3.29Å; I207-L210 PolarHBondContact O-N 2.99Å; I207-K211 HydrophobicContact CG2-CD 4.3Å; I207-K211 HydrophobicContact CG2-CG 4.5Å; I207-K211 WeakPolarHBondContact O-CG 3.49Å; I207-K211 PolarHBondContact O-N 3.09Å
208N93.2Very high87.3Confident78 Ų78108.7 Ų108.742%0.41757%0.574SS.*Hα-helixtrans-63.8-39.1177.4-72-22.6000112.3E204 N205 F206 K211 A212E204-N208 PolarHBondContact O-N 3.48Å; E204-N208 PolarHBondContact O-ND2 3.49Å; N205-N208 PolarHBondContact O-N 2.93Å; F206-N208 VanDerWaalsContact C-N 3.33Å; F206-N208 PolarHBondContact O-N 3.34Å; N208-K211 PolarHBondContact O-N 3.21Å; N208-A212 WeakPolarHBondContact O-CB 3.2Å; N208-A212 PolarHBondContact O-N 3.23Å
209K93.5Very high87.1Confident146 Ų146108.6 Ų108.664%0.63558%0.577SS**Hα-helixtrans-64-40.4172.8-74.1176.1-178.7177.80112.4N205 F206 I207 A212 K213N205-K209 WeakPolarHBondContact O-CG 3.31Å; N205-K209 PolarHBondContact O-N 3.21Å; F206-K209 PolarHBondContact O-N 3.09Å; I207-K209 PolarHBondContact O-N 3.29Å; K209-A212 PolarHBondContact O-N 2.91Å; K209-K213 WeakPolarHBondContact O-CG 3.31Å; K209-K213 PolarHBondContact O-N 3.03Å
210L92.5Very high86.8Confident90 Ų90108 Ų10847%0.47158%0.578SS.*Hα-helixtrans-64.5-43.3175.5-74.3178.8000111.6F206 I207 K213 A214F206-L210 HydrophobicContact CD1-CD1 3.87Å; F206-L210 HydrophobicContact CD1-CG 4.37Å; F206-L210 HydrophobicContact CE1-CD1 3.37Å; F206-L210 HydrophobicContact CE1-CG 4.02Å; F206-L210 HydrophobicContact CZ-CD1 3.91Å; F206-L210 HydrophobicContact CZ-CD2 4.34Å; F206-L210 HydrophobicContact CZ-CG 4.17Å; F206-L210 PolarHBondContact O-N 3.25Å; I207-L210 PolarHBondContact O-N 2.99Å; L210-K213 PolarHBondContact O-N 3.25Å; L210-A214 WeakPolarHBondContact O-CB 3.48Å; L210-A214 PolarHBondContact O-N 3.29Å
211K91.7Very high86.4Confident129 Ų129108 Ų10856%0.56158%0.579SS**Hα-helixtrans-60.6-46.8175-74.3179.2177.9179.10111.6I207 N208 K213 A214 S215I207-K211 HydrophobicContact CG2-CD 4.3Å; I207-K211 HydrophobicContact CG2-CG 4.5Å; I207-K211 WeakPolarHBondContact O-CG 3.49Å; I207-K211 PolarHBondContact O-N 3.09Å; N208-K211 PolarHBondContact O-N 3.21Å; K211-K213 VanDerWaalsContact C-N 3.34Å; K211-K213 PolarHBondContact O-N 3.46Å; K211-A214 PolarHBondContact O-N 3.26Å; K211-S215 PolarHBondContact O-N 3.17Å; K211-S215 PolarHBondContact O-OG 3.25Å
212A89.4Confident86Confident61 Ų61109.1 Ų109.150%0.50459%0.585SS.*Hα-helixtrans-60-42.1177.800000112.5N208 K209 S215 S216N208-A212 WeakPolarHBondContact O-CB 3.2Å; N208-A212 PolarHBondContact O-N 3.23Å; K209-A212 PolarHBondContact O-N 2.91Å; A212-S215 PolarHBondContact O-N 3.5Å; A212-S216 WeakPolarHBondContact O-CB 3.05Å; A212-S216 PolarHBondContact O-N 3.43Å; A212-S216 PolarHBondContact O-OG 3.44Å
213K89.3Confident85.5Confident147 Ų147107.8 Ų107.864%0.63958%0.583SS**Hα-helixtrans-66.5-37.1174.9-76.3-175.7177.5-173.20113.2K209 L210 K211 S215 S216K209-K213 WeakPolarHBondContact O-CG 3.31Å; K209-K213 PolarHBondContact O-N 3.03Å; L210-K213 PolarHBondContact O-N 3.25Å; K211-K213 VanDerWaalsContact C-N 3.34Å; K211-K213 PolarHBondContact O-N 3.46Å; K213-S215 VanDerWaalsContact C-N 3.33Å; K213-S216 PolarHBondContact O-N 3.16Å; K213-S216 PolarHBondContact O-OG 2.81Å
214A84.1Confident84.9Confident71 Ų71107.8 Ų107.859%0.58759%0.587SS**Hα-helixtrans-67-37.5175.500000111.4L210 K211L210-A214 WeakPolarHBondContact O-CB 3.48Å; L210-A214 PolarHBondContact O-N 3.29Å; K211-A214 PolarHBondContact O-N 3.26Å
215S79.2Confident84.1Confident89 Ų89107.3 Ų107.362%0.62259%0.59SS**Hα-helixtrans-76-20.1176.6-60.90000114.3K211 A212 K213 T218K211-S215 PolarHBondContact O-N 3.17Å; K211-S215 PolarHBondContact O-OG 3.25Å; A212-S215 PolarHBondContact O-N 3.5Å; K213-S215 VanDerWaalsContact C-N 3.33Å; S215-T218 PolarHBondContact O-OG1 3.18Å
216S74.4Confident83.4Confident81 Ų81109.4 Ų109.457%0.56660%0.603SS**THydrogen-bonded Turntrans-89.7-6.5178.872.30000114.3A212 K213A212-S216 WeakPolarHBondContact O-CB 3.05Å; A212-S216 PolarHBondContact O-N 3.43Å; A212-S216 PolarHBondContact O-OG 3.44Å; K213-S216 PolarHBondContact O-N 3.16Å; K213-S216 PolarHBondContact O-OG 2.81Å
217N59.1Low82.4Confident149 Ų149107.9 Ų107.980%0.79761%0.607SS**  trans-10213.7-179.7-93.114.4000113.3
218T49.6Very low81.5Confident177 Ų177110.7 Ų110.7100%1.08663%0.626SS**  trans-104.20158.944.80000109S215S215-T218 PolarHBondContact O-OG1 3.18Å

Retrieved 218 of 218 residues in 66.6 ms (Link to these results)