A0A077YZD2_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YZD2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 144 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
1M37.1Very low29Very low248 Ų248123.7 Ų123.7100%1.22281%0.814SS**  0105.50-80.6150.392.200107.3
2A36.5Very low28.8Very low93 Ų93120.4 Ų120.477%0.76979%0.791SS**  trans-84.1139.1173.200000108.9
3P31.8Very low28.9Very low121 Ų121121.6 Ų121.679%0.78680%0.795SS**  trans-66.6135-179.727.1-32.5000110.4S5P3-S5 PolarHBondContact O-N 3.07Å; P3-S5 VanDerWaalsContact O-N 3.07Å
4L26.4Very low28.9Very low175 Ų175116.3 Ų116.392%0.91677%0.773SS**  trans-60.2107.1170-68.5162.4000108.2
5S26.3Very low28.8Very low105 Ų105115.1 Ų115.173%0.73476%0.755SS**  trans-60.2134.5168.7-69.80000109P3 S7P3-S5 PolarHBondContact O-N 3.07Å; P3-S5 VanDerWaalsContact O-N 3.07Å; S5-S7 PolarHBondContact O-N 3.11Å; S5-S7 VanDerWaalsContact O-N 3.11Å
6P27Very low28.6Very low124 Ų124117.4 Ų117.481%0.80575%0.746SS**  trans-59.2119.5176.823.4-31.3000108.9A8P6-A8 PolarHBondContact O-N 2.96Å
7S24.4Very low28.7Very low122 Ų122116.1 Ų116.185%0.85373%0.728SS**  trans-57.4107.4168.1-66.10000107.8S5S5-S7 PolarHBondContact O-N 3.11Å; S5-S7 VanDerWaalsContact O-N 3.11Å
8A26.6Very low28.9Very low86 Ų86115.4 Ų115.471%0.71172%0.718SS**  trans-56.1131.8168.500000107.9P6 A10P6-A8 PolarHBondContact O-N 2.96Å; A8-A10 PolarHBondContact O-N 3.28Å
9P26.4Very low29.1Very low122 Ų122117.4 Ų117.479%0.79271%0.712SS**  trans-57.6131.6174.522.1-28.9000108.3A11P9-A11 PolarHBondContact O-N 3.02Å
10A26.3Very low29.3Very low100 Ų100113.7 Ų113.783%0.82669%0.694SS**  trans-53115.9174.200000108.4A8A8-A10 PolarHBondContact O-N 3.28Å
11A30.1Very low29.5Very low65 Ų65110.3 Ų110.354%0.53767%0.672SS.*  trans-56.8135.3177.100000108.7P9 T13P9-A11 PolarHBondContact O-N 3.02Å; A11-T13 PolarHBondContact O-N 2.84Å
12P26.8Very low29.5Very low84 Ų8499.1 Ų99.155%0.54562%0.619SS.*  trans-64.299.3176.125.4-31.5000108.4G14 L15P12-G14 PolarHBondContact O-N 3.12Å; P12-L15 HydrophobicContact CB-CD1 4.26Å; P12-L15 HydrophobicContact CG-CD1 4.05Å; P12-L15 PolarHBondContact O-N 2.68Å
13T30.5Very low29.4Very low136 Ų13696.1 Ų96.183%0.83459%0.594SS**THydrogen-bonded Turntrans-64.3-6.6-17642.80000113.8A11A11-T13 PolarHBondContact O-N 2.84Å
14G28.7Very low29.4Very low47 Ų4792 Ų9249%0.48557%0.57SS.*THydrogen-bonded Turntrans-88.6-30.7177.600000115.2P12P12-G14 PolarHBondContact O-N 3.12Å
15L26.6Very low29.7Very low98 Ų9886.1 Ų86.151%0.51355%0.547SS..Hα-helixtrans-81.2-34.8-171.6-67.8170.7000112.5P12 Q17 D18 Y19P12-L15 HydrophobicContact CB-CD1 4.26Å; P12-L15 HydrophobicContact CG-CD1 4.05Å; P12-L15 PolarHBondContact O-N 2.68Å; L15-Q17 VanDerWaalsContact C-N 3.26Å; L15-Q17 PolarHBondContact O-N 3Å; L15-D18 PolarHBondContact O-N 3.02Å; L15-Y19 WeakPolarHBondContact O-CD2 3.24Å; L15-Y19 PolarHBondContact O-N 3.32Å; L15-Y19 VanDerWaalsContact O-N 3.07Å
16Y26.8Very low30Very low153 Ų15381.6 Ų81.660%0.652%0.516SS*.Hα-helixtrans-62.8-30.9-179.9-99.8-91.1000113.5A20Y16-A20 PolarHBondContact O-N 3.41Å
17Q30.1Very low30.2Very low94 Ų9476.2 Ų76.244%0.43948%0.482SS..Hα-helixtrans-75.7-38-179.4-162.263.553.200111.5L15 Y19 A20 N21L15-Q17 VanDerWaalsContact C-N 3.26Å; L15-Q17 PolarHBondContact O-N 3Å; Q17-Y19 VanDerWaalsContact C-N 3.34Å; Q17-A20 PolarHBondContact O-N 3.11Å; Q17-N21 WeakPolarHBondContact O-CB 3.37Å; Q17-N21 PolarHBondContact O-N 2.99Å; Q17-N21 PolarHBondContact O-ND2 2.89Å
18D32Very low30.5Very low105 Ų10571 Ų7156%0.56145%0.446SS*.Hα-helixtrans-65.7-37.4172.2-72.1-33.7000111.4L15 N21 A22L15-D18 PolarHBondContact O-N 3.02Å; D18-N21 PolarHBondContact O-N 3.39Å; D18-A22 WeakPolarHBondContact O-CB 3.39Å; D18-A22 PolarHBondContact O-N 3.4Å
19Y32.7Very low30.6Very low153 Ų15369.6 Ų69.660%0.643%0.434SS*.Hα-helixtrans-66.2-35.5173.7-86-74.4000113.5L15 Q17 A22 A23L15-Y19 WeakPolarHBondContact O-CD2 3.24Å; L15-Y19 PolarHBondContact O-N 3.32Å; L15-Y19 VanDerWaalsContact O-N 3.07Å; Q17-Y19 VanDerWaalsContact C-N 3.34Å; Y19-A22 WeakPolarHBondContact O-CB 3.41Å; Y19-A23 WeakPolarHBondContact O-CB 3.38Å; Y19-A23 PolarHBondContact O-N 3.3Å
20A33.2Very low30.6Very low42 Ų4264.7 Ų64.735%0.34740%0.404SS..Hα-helixtrans-71.7-41.2176.700000112Y16 Q17 A22 A23 A24Y16-A20 PolarHBondContact O-N 3.41Å; Q17-A20 PolarHBondContact O-N 3.11Å; A20-A22 VanDerWaalsContact C-N 3.29Å; A20-A23 PolarHBondContact O-N 3.1Å; A20-A24 WeakPolarHBondContact O-CB 3.31Å; A20-A24 PolarHBondContact O-N 3.24Å
21N34Very low30.6Very low44 Ų4460.8 Ų60.824%0.23537%0.371CS..Hα-helixtrans-65.8-36.8174.2-68.9-15000111.2Q17 D18 A24 A25 M118Q17-N21 WeakPolarHBondContact O-CB 3.37Å; Q17-N21 PolarHBondContact O-N 2.99Å; Q17-N21 PolarHBondContact O-ND2 2.89Å; D18-N21 PolarHBondContact O-N 3.39Å; N21-A24 PolarHBondContact O-N 3.41Å; N21-A25 PolarHBondContact O-N 2.96Å; N21-M118 HydrophobicContact CB-CE 4.05Å; N21-M118 HydrophobicContact CB-SD 3.9Å; N21-M118 WeakPolarHBondContact OD1-CE 3.39Å
22A35.4Very low30.3Very low12 Ų1266.3 Ų66.310%0.09938%0.379CS..Hα-helixtrans-63.7-46.2173.800000112.8D18 Y19 A20 A24 A25 A26 Y55D18-A22 WeakPolarHBondContact O-CB 3.39Å; D18-A22 PolarHBondContact O-N 3.4Å; Y19-A22 WeakPolarHBondContact O-CB 3.41Å; A20-A22 VanDerWaalsContact C-N 3.29Å; A22-A24 VanDerWaalsContact C-N 3.29Å; A22-A24 PolarHBondContact O-N 2.98Å; A22-A25 PolarHBondContact O-N 3.37Å; A22-A26 WeakPolarHBondContact O-CB 3.47Å; A22-A26 PolarHBondContact O-N 3.37Å; A22-Y55 HydrophobicContact CB-CD1 4.25Å; A22-Y55 HydrophobicContact CB-CE1 3.2Å; A22-Y55 VanDerWaalsContact CB-CZ 3.41Å; A22-Y55 WeakPolarHBondContact CB-OH 3.46Å; A22-Y55 VanDerWaalsContact O-CD1 3.25Å; A22-Y55 WeakPolarHBondContact O-CD1 3.07Å; A22-Y55 VanDerWaalsContact O-CE1 3.29Å; A22-Y55 WeakPolarHBondContact O-CE1 3.05Å
23A34.8Very low30.2Very low31 Ų3166.5 Ų66.526%0.25638%0.378SS..Hα-helixtrans-63.7-35.2175.900000112.1Y19 A20 A26 A27 A99Y19-A23 WeakPolarHBondContact O-CB 3.38Å; Y19-A23 PolarHBondContact O-N 3.3Å; A20-A23 PolarHBondContact O-N 3.1Å; A23-A26 PolarHBondContact O-N 3.49Å; A23-A27 WeakPolarHBondContact O-CB 3.22Å; A23-A27 PolarHBondContact O-N 3.46Å; A23-A99 HydrophobicContact CB-CB 4.35Å
24A32.4Very low29.9Very low33 Ų3363.3 Ų63.327%0.27336%0.36SS..Hα-helixtrans-68.2-39.8174.500000112.5A20 N21 A22 A28 A102A20-A24 WeakPolarHBondContact O-CB 3.31Å; A20-A24 PolarHBondContact O-N 3.24Å; N21-A24 PolarHBondContact O-N 3.41Å; A22-A24 VanDerWaalsContact C-N 3.29Å; A22-A24 PolarHBondContact O-N 2.98Å; A24-A28 WeakPolarHBondContact O-CB 3.15Å; A24-A28 PolarHBondContact O-N 3.41Å; A24-A102 HydrophobicContact CB-CB 4.04Å
25A33.3Very low29.6Very low53 Ų5367.4 Ų67.444%0.43838%0.376SS..Hα-helixtrans-66.7-37.4173.400000112.2N21 A22 A28 A29N21-A25 PolarHBondContact O-N 2.96Å; A22-A25 PolarHBondContact O-N 3.37Å; A25-A28 PolarHBondContact O-N 2.98Å; A25-A29 PolarHBondContact O-N 3.1Å; A25-A29 VanDerWaalsContact O-N 3.1Å
26A32.3Very low29.4Very low9 Ų968 Ų687%0.07438%0.383CS..Hα-helixtrans-66-52.9176.400000111A22 A23 A28 A29 A30 Y55 V59A22-A26 WeakPolarHBondContact O-CB 3.47Å; A22-A26 PolarHBondContact O-N 3.37Å; A23-A26 PolarHBondContact O-N 3.49Å; A26-A28 PolarHBondContact O-N 2.97Å; A26-A29 PolarHBondContact O-N 3.15Å; A26-A30 PolarHBondContact O-N 3.11Å; A26-Y55 HydrophobicContact CB-CD1 3.9Å; A26-Y55 HydrophobicContact CB-CG 4.35Å; A26-V59 HydrophobicContact CB-CG2 3.59Å; A26-V59 WeakPolarHBondContact O-CG2 3.38Å
27A30.9Very low29.2Very low12 Ų1266.3 Ų66.310%0.09940%0.402CS..Hα-helixtrans-50.3-40.4173.300000113.1A23 A30 A99 A102 A103A23-A27 WeakPolarHBondContact O-CB 3.22Å; A23-A27 PolarHBondContact O-N 3.46Å; A27-A30 VanDerWaalsContact O-CB 3.3Å; A27-A30 WeakPolarHBondContact O-CB 3.48Å; A27-A30 PolarHBondContact O-N 3.29Å; A27-A99 HydrophobicContact CB-CB 4.47Å; A27-A99 WeakPolarHBondContact CB-O 3.37Å; A27-A102 HydrophobicContact CB-CB 4.48Å; A27-A103 HydrophobicContact CB-CB 3.7Å; A27-A103 VanDerWaalsContact O-CA 3.27Å; A27-A103 WeakPolarHBondContact O-CA 3.3Å; A27-A103 WeakPolarHBondContact O-CB 3.4Å
28A29.9Very low29Very low13 Ų1365.1 Ų65.111%0.10741%0.408CS..Hα-helixtrans-67.9-46.3177.900000110.6A24 A25 A26 A30 S31 A106 F113A24-A28 WeakPolarHBondContact O-CB 3.15Å; A24-A28 PolarHBondContact O-N 3.41Å; A25-A28 PolarHBondContact O-N 2.98Å; A26-A28 PolarHBondContact O-N 2.97Å; A28-A30 PolarHBondContact O-N 3.43Å; A28-S31 PolarHBondContact O-N 3.31Å; A28-S31 VanDerWaalsContact O-N 3.09Å; A28-A106 HydrophobicContact CB-CB 3.66Å; A28-F113 VanDerWaalsContact CA-CZ 3.47Å; A28-F113 HydrophobicContact CB-CE1 3.22Å; A28-F113 HydrophobicContact CB-CZ 3.31Å; A28-F113 WeakPolarHBondContact O-CE2 3.21Å; A28-F113 WeakPolarHBondContact O-CZ 3.48Å
29A28.5Very low28.7Very low55 Ų5565.7 Ų65.746%0.45542%0.415SS..Hα-helixtrans-62.5-27175.400000113.6A25 A26 S31A25-A29 PolarHBondContact O-N 3.1Å; A25-A29 VanDerWaalsContact O-N 3.1Å; A26-A29 PolarHBondContact O-N 3.15Å; A29-S31 PolarHBondContact O-N 3.07Å
30A27.8Very low28.4Very low20 Ų2061.9 Ų61.917%0.16541%0.409CS..THydrogen-bonded Turntrans-65.8-20.7175.100000114.2A26 A27 A28 V59 A63A26-A30 PolarHBondContact O-N 3.11Å; A27-A30 VanDerWaalsContact O-CB 3.3Å; A27-A30 WeakPolarHBondContact O-CB 3.48Å; A27-A30 PolarHBondContact O-N 3.29Å; A28-A30 PolarHBondContact O-N 3.43Å; A30-V59 HydrophobicContact CB-CB 4.16Å; A30-V59 HydrophobicContact CB-CG1 3.3Å; A30-V59 HydrophobicContact CB-CG2 4.05Å; A30-A63 HydrophobicContact CB-CB 4.42Å
31S25.7Very low28Very low18 Ų1865.8 Ų65.813%0.12643%0.428CS..THydrogen-bonded Turntrans-96.99.2-167-1460000114.7A28 A29 V33 A103 N107A28-S31 PolarHBondContact O-N 3.31Å; A28-S31 VanDerWaalsContact O-N 3.09Å; A29-S31 PolarHBondContact O-N 3.07Å; S31-V33 VanDerWaalsContact C-N 3.26Å; S31-V33 PolarHBondContact O-N 3.08Å; S31-A103 WeakPolarHBondContact CB-O 3.27Å; S31-A103 PolarHBondContact OG-O 3.43Å; S31-N107 PolarHBondContact O-ND2 2.66Å; S31-N107 PolarHBondContact O-OD1 3.07Å; S31-N107 WeakPolarHBondContact OG-CB 3.23Å; S31-N107 PolarHBondContact OG-ND2 3.18Å
32Y23.7Very low27.8Very low181 Ų18169.4 Ų69.471%0.7145%0.445SS*.  trans-74.582.6164.4-165.5-97000109.5P34Y32-P34 WeakPolarHBondContact O-CD 3.46Å
33V25.4Very low27.4Very low87 Ų8771.1 Ų71.153%0.52746%0.464SS..  trans-90.4104.2169.71800000107.4S31 T35S31-V33 VanDerWaalsContact C-N 3.26Å; S31-V33 PolarHBondContact O-N 3.08Å; V33-T35 PolarHBondContact O-N 3.09Å
34P23.6Very low27Very low70 Ų7075.8 Ų75.846%0.45549%0.492SS..  trans-61.9112.3165.522.7-28.1000107.9Y32 T36Y32-P34 WeakPolarHBondContact O-CD 3.46Å; P34-T36 PolarHBondContact O-N 3.19Å
35T23Very low26.9Very low132 Ų13280.2 Ų80.281%0.8150%0.502SS*.SBendtrans-696517753.20000110.6V33V33-T35 PolarHBondContact O-N 3.09Å
36T21.9Very low26.6Very low110 Ų11081 Ų8168%0.67551%0.509SS*.SBendtrans-170.489.8171.134.40000109.5P34 A38P34-T36 PolarHBondContact O-N 3.19Å; T36-A38 VanDerWaalsContact C-N 3.32Å; T36-A38 PolarHBondContact O-N 2.98Å
37A23Very low26.2Very low119 Ų11986 Ų8698%0.98355%0.55SS**SBendtrans40.142151.700000118.7
38A25.2Very low26Very low69 Ų6988.8 Ų88.857%0.5758%0.581SS**  trans-138.9120.9179.900000110.6T36T36-A38 VanDerWaalsContact C-N 3.32Å; T36-A38 PolarHBondContact O-N 2.98Å
39T26.2Very low25.8Very low116 Ų11692 Ų9271%0.71260%0.602SS**  trans-48140162.741.70000109.3V41T39-V41 PolarHBondContact O-N 3.05Å
40P26.2Very low25.9Very low74 Ų7495.4 Ų95.448%0.48162%0.617SS.*  trans-63.6104.8173.1-0.413.2000107.5M42 Y64P40-M42 PolarHBondContact O-N 3.1Å; P40-Y64 HydrophobicContact CB-CE1 4.23Å; P40-Y64 HydrophobicContact CB-CE2 4.17Å; P40-Y64 HydrophobicContact CG-CD1 3.56Å; P40-Y64 HydrophobicContact CG-CD2 4.19Å; P40-Y64 HydrophobicContact CG-CE1 3.02Å; P40-Y64 HydrophobicContact CG-CE2 3.71Å; P40-Y64 HydrophobicContact CG-CG 4.12Å; P40-Y64 WeakPolarHBondContact CG-OH 3.1Å
41V25.3Very low25.8Very low123 Ų123102.3 Ų102.375%0.74565%0.648SS**  trans-84.1104.5170.5-1800000106T39 G43T39-V41 PolarHBondContact O-N 3.05Å; V41-G43 PolarHBondContact O-N 3.15Å; V41-G43 VanDerWaalsContact O-N 3.1Å
42M29.5Very low26Very low120 Ų120104.5 Ų104.559%0.59166%0.663SS**  trans-64.7108.4161.5-89.2-168.144.700108.3P40 Y45P40-M42 PolarHBondContact O-N 3.1Å; M42-Y45 HydrophobicContact CE-CD2 4.18Å; M42-Y45 HydrophobicContact CE-CE2 3.19Å; M42-Y45 VanDerWaalsContact CE-CZ 3.47Å; M42-Y45 VanDerWaalsContact CE-OH 3.24Å; M42-Y45 WeakPolarHBondContact CE-OH 3.28Å
43G26.9Very low26.5Very low48 Ų4899.2 Ų99.250%0.49565%0.647SS.*PPolyproline II helixtrans-59.8148.216900000110.3V41 Y45V41-G43 PolarHBondContact O-N 3.15Å; V41-G43 VanDerWaalsContact O-N 3.1Å; G43-Y45 PolarHBondContact O-N 3Å
44P26.9Very low26.9Very low129 Ų12997.9 Ų97.984%0.83864%0.64SS**PPolyproline II helixtrans-55.9126.7177.524.1-32.9000109.3A46P44-A46 PolarHBondContact O-N 3Å
45Y30.4Very low27.4Very low126 Ų12699 Ų9949%0.49464%0.636SS.*PPolyproline II helixtrans-54.6127.8170.4-70.6-76.6000108.6M42 G43 A47M42-Y45 HydrophobicContact CE-CD2 4.18Å; M42-Y45 HydrophobicContact CE-CE2 3.19Å; M42-Y45 VanDerWaalsContact CE-CZ 3.47Å; M42-Y45 VanDerWaalsContact CE-OH 3.24Å; M42-Y45 WeakPolarHBondContact CE-OH 3.28Å; G43-Y45 PolarHBondContact O-N 3Å; Y45-A47 PolarHBondContact O-N 3.46Å
46A26.4Very low28.1Very low71 Ų7195.7 Ų95.759%0.58762%0.618SS**PPolyproline II helixtrans-50.9128.6174.500000109.2P44 G48 S49P44-A46 PolarHBondContact O-N 3Å; A46-G48 PolarHBondContact O-N 2.97Å; A46-S49 PolarHBondContact O-N 2.89Å; A46-S49 VanDerWaalsContact O-N 3.14Å
47A24.1Very low28.7Very low112 Ų11294.2 Ų94.293%0.92660%0.6SS**THydrogen-bonded Turntrans-53.7116.8177.200000109.2Y45Y45-A47 PolarHBondContact O-N 3.46Å
48G26.1Very low29.5Very low72 Ų7290.2 Ų90.274%0.74257%0.567SS**THydrogen-bonded Turntrans115.9-7.3-177.200000115.8A46 T50A46-G48 PolarHBondContact O-N 2.97Å; G48-T50 PolarHBondContact O-N 3.34Å
49S26.2Very low30Very low79 Ų7987.9 Ų87.955%0.55255%0.546SS*.  trans-88.291.2175-65.10000111.6A46 M51A46-S49 PolarHBondContact O-N 2.89Å; A46-S49 VanDerWaalsContact O-N 3.14Å; S49-M51 PolarHBondContact O-N 2.63Å
50T29.4Very low30.5Very low127 Ų12783.4 Ų83.478%0.77952%0.521SS*.  trans-79.717.8-174.9-18.30000115.1G48G48-T50 PolarHBondContact O-N 3.34Å
51M26.1Very low31.1Very low165 Ų16581.3 Ų81.381%0.81351%0.507SS*.  trans-12492.3179-65.1-143123.700110.1S49 D53S49-M51 PolarHBondContact O-N 2.63Å; M51-D53 PolarHBondContact O-N 3.01Å
52C29.8Very low31.6Very low65 Ų6579 Ų7944%0.43950%0.501SS..  trans-69.696.6151.2-166.30000105.6Y57C52-Y57 WeakPolarHBondContact SG-CD2 3.36Å
53D34.8Very low31.7Very low70 Ų7075.7 Ų75.737%0.37449%0.492SS..  trans-62.1127.1178.2-175.9-79.8000108.4M51 Y55 S56 Y57M51-D53 PolarHBondContact O-N 3.01Å; D53-Y55 PolarHBondContact O-N 3.35Å; D53-Y55 WeakPolarHBondContact OD1-CB 3.41Å; D53-Y55 WeakPolarHBondContact OD1-CD2 3.45Å; D53-Y55 PolarHBondContact OD1-N 2.86Å; D53-S56 PolarHBondContact O-N 3.34Å; D53-Y57 PolarHBondContact O-N 3.37Å
54P33.4Very low31.8Very low58 Ų5878.2 Ų78.238%0.37749%0.488SS..Hα-helixtrans-47.9-30-176.9-15.111.6000114.1A58 M82P54-A58 WeakPolarHBondContact O-CB 3.41Å; P54-A58 PolarHBondContact O-N 2.85Å; P54-A58 VanDerWaalsContact O-N 3.11Å; P54-M82 HydrophobicContact CB-CE 3.21Å; P54-M82 HydrophobicContact CG-CE 3.48Å; P54-M82 VanDerWaalsContact CG-CE 3.48Å
55Y35.3Very low31.9Very low95 Ų9575.1 Ų75.137%0.37348%0.479SS..Hα-helixtrans-77.9-39.5-173.7-55.8-125.1000110A22 A26 D53 Y57 V59A22-Y55 HydrophobicContact CB-CD1 4.25Å; A22-Y55 HydrophobicContact CB-CE1 3.2Å; A22-Y55 VanDerWaalsContact CB-CZ 3.41Å; A22-Y55 WeakPolarHBondContact CB-OH 3.46Å; A22-Y55 VanDerWaalsContact O-CD1 3.25Å; A22-Y55 WeakPolarHBondContact O-CD1 3.07Å; A22-Y55 VanDerWaalsContact O-CE1 3.29Å; A22-Y55 WeakPolarHBondContact O-CE1 3.05Å; A26-Y55 HydrophobicContact CB-CD1 3.9Å; A26-Y55 HydrophobicContact CB-CG 4.35Å; D53-Y55 PolarHBondContact O-N 3.35Å; D53-Y55 WeakPolarHBondContact OD1-CB 3.41Å; D53-Y55 WeakPolarHBondContact OD1-CD2 3.45Å; D53-Y55 PolarHBondContact OD1-N 2.86Å; Y55-Y57 VanDerWaalsContact C-N 3.26Å; Y55-Y57 PolarHBondContact O-N 3.49Å; Y55-V59 WeakPolarHBondContact O-CB 3.31Å; Y55-V59 WeakPolarHBondContact O-CG2 3.37Å; Y55-V59 PolarHBondContact O-N 3.03Å
56S36.9Very low31.8Very low62 Ų6275.1 Ų75.143%0.43449%0.485SS..Hα-helixtrans-64.3-32.4175.9-61.40000112.2D53 A60D53-S56 PolarHBondContact O-N 3.34Å; S56-A60 WeakPolarHBondContact O-CB 3.48Å; S56-A60 PolarHBondContact O-N 2.82Å; S56-A60 VanDerWaalsContact O-N 3.15Å
57Y35.5Very low32Very low78 Ų7878.9 Ų78.931%0.30649%0.494SS..Hα-helixtrans-80.8-43.3-178.7-147.1-101.9000112.4C52 D53 Y55 V59 A60 T61 P68C52-Y57 WeakPolarHBondContact SG-CD2 3.36Å; D53-Y57 PolarHBondContact O-N 3.37Å; Y55-Y57 VanDerWaalsContact C-N 3.26Å; Y55-Y57 PolarHBondContact O-N 3.49Å; Y57-V59 VanDerWaalsContact C-N 3.29Å; Y57-V59 PolarHBondContact O-N 3Å; Y57-A60 PolarHBondContact O-N 2.92Å; Y57-T61 PolarHBondContact O-N 3.2Å; Y57-T61 PolarHBondContact O-OG1 3.43Å; Y57-P68 HydrophobicContact CE1-CB 3.78Å; Y57-P68 HydrophobicContact CE1-CG 4.19Å; Y57-P68 VanDerWaalsContact OH-CB 3.28Å; Y57-P68 WeakPolarHBondContact OH-CB 3.28Å
58A38.1Very low32.2Very low35 Ų3576 Ų7629%0.28947%0.466SS..Hα-helixtrans-64.9-34.5175.600000112.2P54 A62P54-A58 WeakPolarHBondContact O-CB 3.41Å; P54-A58 PolarHBondContact O-N 2.85Å; P54-A58 VanDerWaalsContact O-N 3.11Å; A58-A62 WeakPolarHBondContact O-CB 3.35Å; A58-A62 PolarHBondContact O-N 2.83Å
59V36.5Very low32.3Very low20 Ų2077.8 Ų77.812%0.12146%0.459CS..Hα-helixtrans-67.4-45.1173.9161.20000112.1A26 A30 Y55 Y57 T61 A62 A63A26-V59 HydrophobicContact CB-CG2 3.59Å; A26-V59 WeakPolarHBondContact O-CG2 3.38Å; A30-V59 HydrophobicContact CB-CB 4.16Å; A30-V59 HydrophobicContact CB-CG1 3.3Å; A30-V59 HydrophobicContact CB-CG2 4.05Å; Y55-V59 WeakPolarHBondContact O-CB 3.31Å; Y55-V59 WeakPolarHBondContact O-CG2 3.37Å; Y55-V59 PolarHBondContact O-N 3.03Å; Y57-V59 VanDerWaalsContact C-N 3.29Å; Y57-V59 PolarHBondContact O-N 3Å; V59-T61 VanDerWaalsContact C-N 3.32Å; V59-T61 PolarHBondContact O-N 3.11Å; V59-A62 PolarHBondContact O-N 3.44Å; V59-A63 WeakPolarHBondContact O-CB 3.38Å; V59-A63 PolarHBondContact O-N 3.36Å
60A36.6Very low32.4Very low23 Ų2378.2 Ų78.219%0.1947%0.467CS..Hα-helixtrans-63.3-38.8176.800000111.9S56 Y57 Y64S56-A60 WeakPolarHBondContact O-CB 3.48Å; S56-A60 PolarHBondContact O-N 2.82Å; S56-A60 VanDerWaalsContact O-N 3.15Å; Y57-A60 PolarHBondContact O-N 2.92Å; A60-Y64 WeakPolarHBondContact O-CB 3.34Å; A60-Y64 PolarHBondContact O-N 3.42Å; A60-Y64 VanDerWaalsContact O-N 3.17Å
61T38.1Very low32.3Very low30 Ų3076.8 Ų76.818%0.18446%0.463CS..Hα-helixtrans-72.5-37.4177.2-57.90000112.8Y57 V59 G65 M66Y57-T61 PolarHBondContact O-N 3.2Å; Y57-T61 PolarHBondContact O-OG1 3.43Å; V59-T61 VanDerWaalsContact C-N 3.32Å; V59-T61 PolarHBondContact O-N 3.11Å; T61-G65 PolarHBondContact O-N 2.98Å; T61-M66 WeakPolarHBondContact CA-O 3.11Å; T61-M66 WeakPolarHBondContact CB-O 3.49Å; T61-M66 WeakPolarHBondContact CG2-O 3.45Å; T61-M66 PolarHBondContact OG1-O 2.88Å
62A36Very low32.3Very low75 Ų7571.5 Ų71.562%0.6245%0.445SS*.Hα-helixtrans-77.2-36.9179.500000113.8A58 V59A58-A62 WeakPolarHBondContact O-CB 3.35Å; A58-A62 PolarHBondContact O-N 2.83Å; V59-A62 PolarHBondContact O-N 3.44Å
63A32.1Very low32.1Very low49 Ų4974.1 Ų74.141%0.40546%0.461SS..Hα-helixtrans-86.6-28.2-17700000113.5A30 V59A30-A63 HydrophobicContact CB-CB 4.42Å; V59-A63 WeakPolarHBondContact O-CB 3.38Å; V59-A63 PolarHBondContact O-N 3.36Å
64Y29.6Very low31.8Very low102 Ų10277 Ų7740%0.447%0.468SS..Hα-helixtrans-120.56.5-171.2-59.7-66.8000114.7P40 A60 M66P40-Y64 HydrophobicContact CB-CE1 4.23Å; P40-Y64 HydrophobicContact CB-CE2 4.17Å; P40-Y64 HydrophobicContact CG-CD1 3.56Å; P40-Y64 HydrophobicContact CG-CD2 4.19Å; P40-Y64 HydrophobicContact CG-CE1 3.02Å; P40-Y64 HydrophobicContact CG-CE2 3.71Å; P40-Y64 HydrophobicContact CG-CG 4.12Å; P40-Y64 WeakPolarHBondContact CG-OH 3.1Å; A60-Y64 WeakPolarHBondContact O-CB 3.34Å; A60-Y64 PolarHBondContact O-N 3.42Å; A60-Y64 VanDerWaalsContact O-N 3.17Å; Y64-M66 PolarHBondContact O-N 3.16Å
65G27.8Very low31.4Very low64 Ų6482.1 Ų82.166%0.6649%0.487SS*.  trans58.918.7-17700000112.9T61 L67T61-G65 PolarHBondContact O-N 2.98Å; G65-L67 VanDerWaalsContact C-N 3.35Å; G65-L67 PolarHBondContact O-N 2.89Å
66M30.1Very low30.9Very low126 Ų12682.7 Ų82.762%0.62151%0.511SS*.  trans-80.585.5-178.2-71.8-89.613100107.9T61 Y64T61-M66 WeakPolarHBondContact CA-O 3.11Å; T61-M66 WeakPolarHBondContact CB-O 3.49Å; T61-M66 WeakPolarHBondContact CG2-O 3.45Å; T61-M66 PolarHBondContact OG1-O 2.88Å; Y64-M66 PolarHBondContact O-N 3.16Å
67L29.1Very low30.3Very low149 Ų14983.7 Ų83.778%0.7853%0.531SS*.  trans-57.2131.2160.1-82.2152.3000107.6G65 N69G65-L67 VanDerWaalsContact C-N 3.35Å; G65-L67 PolarHBondContact O-N 2.89Å; L67-N69 PolarHBondContact O-N 3.43Å
68P29.6Very low29.9Very low51 Ų5183.4 Ų83.433%0.33154%0.544SS..  trans-57.1116.6174.622.6-31.4000108.8Y57 A70Y57-P68 HydrophobicContact CE1-CB 3.78Å; Y57-P68 HydrophobicContact CE1-CG 4.19Å; Y57-P68 VanDerWaalsContact OH-CB 3.28Å; Y57-P68 WeakPolarHBondContact OH-CB 3.28Å; P68-A70 PolarHBondContact O-N 2.95Å
69N28.1Very low29.3Very low111 Ų11182.7 Ų82.759%0.59454%0.54SS*.  trans-53.9113159166.20.2000106L67 S71 A72L67-N69 PolarHBondContact O-N 3.43Å; N69-S71 PolarHBondContact O-N 3.32Å; N69-S71 WeakPolarHBondContact OD1-CA 3.22Å; N69-S71 WeakPolarHBondContact OD1-CB 2.97Å; N69-S71 PolarHBondContact OD1-N 3.04Å; N69-S71 PolarHBondContact OD1-OG 3.01Å; N69-A72 PolarHBondContact O-N 3.35Å
70A27.9Very low28.8Very low88 Ų8888.9 Ų88.973%0.72757%0.573SS**THydrogen-bonded Turntrans-57.14.117900000114.9P68P68-A70 PolarHBondContact O-N 2.95Å
71S26.5Very low28.4Very low97 Ų9791.4 Ų91.468%0.67859%0.594SS**THydrogen-bonded Turntrans-102.20.8-175.2-39.90000114.9N69N69-S71 PolarHBondContact O-N 3.32Å; N69-S71 WeakPolarHBondContact OD1-CA 3.22Å; N69-S71 WeakPolarHBondContact OD1-CB 2.97Å; N69-S71 PolarHBondContact OD1-N 3.04Å; N69-S71 PolarHBondContact OD1-OG 3.01Å
72A27.5Very low28Very low53 Ų5393 Ų9344%0.43860%0.6SS.*SBendtrans-85.4127.9169.600000109.1N69 Y74N69-A72 PolarHBondContact O-N 3.35Å; A72-Y74 WeakPolarHBondContact O-CD2 3.34Å; A72-Y74 PolarHBondContact O-N 3.38Å
73P25.7Very low27.7Very low121 Ų12191.4 Ų91.479%0.78659%0.587SS**  trans-64.799.6-167.524.9-33.2000111.3Q75P73-Q75 PolarHBondContact O-N 2.93Å
74Y26.6Very low27.7Very low131 Ų13191.1 Ų91.151%0.51459%0.585SS.*  trans-55.999.9160.4-76.5-93.8000108A72 A76A72-Y74 WeakPolarHBondContact O-CD2 3.34Å; A72-Y74 PolarHBondContact O-N 3.38Å; Y74-A76 PolarHBondContact O-N 3.41Å
75Q26.5Very low27.9Very low165 Ų16587.9 Ų87.977%0.77158%0.579SS**  trans-66.4128.2170.4-70.5-158.2-5.200109.2P73P73-Q75 PolarHBondContact O-N 2.93Å
76A24.6Very low28.3Very low107 Ų10787.2 Ų87.288%0.88456%0.56SS**THydrogen-bonded Turntrans-54.4136.1-163.200000114.1Y74Y74-A76 PolarHBondContact O-N 3.41Å
77G24.8Very low28.4Very low82 Ų8287.9 Ų87.985%0.84556%0.561SS**THydrogen-bonded Turntrans115.3-32.8162.600000116.4
78A25.6Very low28.5Very low72 Ų7286.5 Ų86.560%0.59555%0.551SS**SBendtrans-101.1-18.3-175.900000114.3M82A78-M82 WeakPolarHBondContact O-CB 3.01Å
79G26.4Very low28.7Very low20 Ų2086.3 Ų86.321%0.20655%0.554CS.*Hα-helixtrans-75.9-21.6-172.700000116.2A83G79-A83 WeakPolarHBondContact O-CB 3.46Å; G79-A83 PolarHBondContact O-N 2.87Å; G79-A83 VanDerWaalsContact O-N 3.09Å
80N25.7Very low29Very low150 Ų15086.8 Ų86.880%0.80255%0.551SS**Hα-helixtrans-78.7-39.5-175.8-11526000113M82 A84N80-M82 VanDerWaalsContact C-N 3.31Å; N80-A84 PolarHBondContact O-N 2.77Å
81A28.4Very low29.1Very low76 Ų7686.8 Ų86.863%0.62855%0.546SS*.Hα-helixtrans-71.4-32175.200000111.7A84 A85A81-A84 PolarHBondContact O-N 2.97Å; A81-A85 PolarHBondContact O-N 3.34Å
82M28.6Very low29.4Very low63 Ų6385.7 Ų85.731%0.3153%0.532SS..Hα-helixtrans-73.9-41.9-178.1-162.9176.5-157.500112.3P54 A78 N80 A84 A85 I86P54-M82 HydrophobicContact CB-CE 3.21Å; P54-M82 HydrophobicContact CG-CE 3.48Å; P54-M82 VanDerWaalsContact CG-CE 3.48Å; A78-M82 WeakPolarHBondContact O-CB 3.01Å; N80-M82 VanDerWaalsContact C-N 3.31Å; M82-A84 VanDerWaalsContact C-N 3.27Å; M82-A84 PolarHBondContact O-N 3.39Å; M82-A85 PolarHBondContact O-N 3.45Å; M82-I86 HydrophobicContact CG-CD1 4.28Å; M82-I86 WeakPolarHBondContact O-CB 3.38Å; M82-I86 WeakPolarHBondContact O-CD1 3.38Å; M82-I86 VanDerWaalsContact O-CG1 3.23Å; M82-I86 WeakPolarHBondContact O-CG1 3.4Å; M82-I86 PolarHBondContact O-N 3.02Å
83A30.1Very low29.6Very low43 Ų4388.2 Ų88.236%0.35554%0.544SS..Hα-helixtrans-61.3-36.5171.200000112.1G79 Q87G79-A83 WeakPolarHBondContact O-CB 3.46Å; G79-A83 PolarHBondContact O-N 2.87Å; G79-A83 VanDerWaalsContact O-N 3.09Å; A83-Q87 WeakPolarHBondContact O-CB 3.44Å; A83-Q87 VanDerWaalsContact O-CG 3.31Å; A83-Q87 WeakPolarHBondContact O-CG 3.35Å; A83-Q87 PolarHBondContact O-N 3.17Å
84A31.6Very low30Very low43 Ų4385.6 Ų85.636%0.35553%0.533SS..Hα-helixtrans-69.1-40175.600000112.7N80 A81 M82 Q87 Q88N80-A84 PolarHBondContact O-N 2.77Å; A81-A84 PolarHBondContact O-N 2.97Å; M82-A84 VanDerWaalsContact C-N 3.27Å; M82-A84 PolarHBondContact O-N 3.39Å; A84-Q87 PolarHBondContact O-N 3.19Å; A84-Q88 WeakPolarHBondContact O-CB 3.04Å; A84-Q88 WeakPolarHBondContact O-CG 2.9Å; A84-Q88 PolarHBondContact O-N 2.95Å
85A33.9Very low30.6Very low34 Ų3481.9 Ų81.928%0.28152%0.523SS..Hα-helixtrans-66.8-39.9176.300000112.2A81 M82 Q88 A89A81-A85 PolarHBondContact O-N 3.34Å; M82-A85 PolarHBondContact O-N 3.45Å; A85-Q88 PolarHBondContact O-N 3.06Å; A85-A89 PolarHBondContact O-N 3.39Å
86I36.2Very low31.2Very low50 Ų5076.1 Ų76.126%0.25650%0.504SS..Hα-helixtrans-65.4-46.5174.8-67.7167.1000110.2M82 Q88 A89 F90M82-I86 HydrophobicContact CG-CD1 4.28Å; M82-I86 WeakPolarHBondContact O-CB 3.38Å; M82-I86 WeakPolarHBondContact O-CD1 3.38Å; M82-I86 VanDerWaalsContact O-CG1 3.23Å; M82-I86 WeakPolarHBondContact O-CG1 3.4Å; M82-I86 PolarHBondContact O-N 3.02Å; I86-Q88 VanDerWaalsContact C-N 3.31Å; I86-Q88 PolarHBondContact O-N 2.91Å; I86-A89 PolarHBondContact O-N 3.49Å; I86-F90 HydrophobicContact CG2-CD2 3.68Å; I86-F90 HydrophobicContact CG2-CE2 3.46Å; I86-F90 VanDerWaalsContact CG2-CE2 3.46Å; I86-F90 WeakPolarHBondContact O-CD2 3.49Å; I86-F90 PolarHBondContact O-N 2.88Å
87Q34Very low31.7Very low139 Ų13973.6 Ų73.665%0.6548%0.483SS*.Hα-helixtrans-62.6-34.7174.7-77.6175.613.800113.1A83 A84 F90 S91A83-Q87 WeakPolarHBondContact O-CB 3.44Å; A83-Q87 VanDerWaalsContact O-CG 3.31Å; A83-Q87 WeakPolarHBondContact O-CG 3.35Å; A83-Q87 PolarHBondContact O-N 3.17Å; A84-Q87 PolarHBondContact O-N 3.19Å; Q87-F90 PolarHBondContact O-N 3.02Å; Q87-S91 PolarHBondContact O-N 3.31Å; Q87-S91 VanDerWaalsContact O-N 3.1Å; Q87-S91 PolarHBondContact O-OG 3.09Å
88Q30.6Very low32.4Very low121 Ų12172.3 Ų72.357%0.56546%0.464SS*.Hα-helixtrans-69.3-36.4174.4-81.1-176.222.500113A84 A85 I86 S91A84-Q88 WeakPolarHBondContact O-CB 3.04Å; A84-Q88 WeakPolarHBondContact O-CG 2.9Å; A84-Q88 PolarHBondContact O-N 2.95Å; A85-Q88 PolarHBondContact O-N 3.06Å; I86-Q88 VanDerWaalsContact C-N 3.31Å; I86-Q88 PolarHBondContact O-N 2.91Å; Q88-S91 VanDerWaalsContact CA-OG 3.24Å; Q88-S91 WeakPolarHBondContact CA-OG 3.29Å; Q88-S91 PolarHBondContact O-N 2.99Å; Q88-S91 PolarHBondContact O-OG 3.28Å; Q88-S91 VanDerWaalsContact O-OG 3.12Å
89A33.3Very low33.2Very low47 Ų4770 Ų7039%0.38845%0.445SS..Hα-helixtrans-68.3-36.1174.100000112.4A85 I86A85-A89 PolarHBondContact O-N 3.39Å; I86-A89 PolarHBondContact O-N 3.49Å
90F34.8Very low33.8Very low121 Ų12175.3 Ų75.353%0.53147%0.468SS..Hα-helixtrans-75.7-18.2175-77.5-65.7000114.4I86 Q87 N92I86-F90 HydrophobicContact CG2-CD2 3.68Å; I86-F90 HydrophobicContact CG2-CE2 3.46Å; I86-F90 VanDerWaalsContact CG2-CE2 3.46Å; I86-F90 WeakPolarHBondContact O-CD2 3.49Å; I86-F90 PolarHBondContact O-N 2.88Å; Q87-F90 PolarHBondContact O-N 3.02Å; F90-N92 VanDerWaalsContact C-N 3.33Å
91S30.7Very low34.4Very low88 Ų8874.8 Ų74.862%0.61546%0.461SS*.THydrogen-bonded Turntrans-86.3-2.4178.431.70000113.7Q87 Q88Q87-S91 PolarHBondContact O-N 3.31Å; Q87-S91 VanDerWaalsContact O-N 3.1Å; Q87-S91 PolarHBondContact O-OG 3.09Å; Q88-S91 VanDerWaalsContact CA-OG 3.24Å; Q88-S91 WeakPolarHBondContact CA-OG 3.29Å; Q88-S91 PolarHBondContact O-N 2.99Å; Q88-S91 PolarHBondContact O-OG 3.28Å; Q88-S91 VanDerWaalsContact O-OG 3.12Å
92N32Very low34.8Very low74 Ų7472.8 Ų72.840%0.39644%0.444SS..  trans-116.4100.5170.8-166.6-25.4000111.4F90 A94 V95 A96F90-N92 VanDerWaalsContact C-N 3.33Å; N92-A94 PolarHBondContact O-N 3.07Å; N92-A94 VanDerWaalsContact O-N 3.11Å; N92-A94 WeakPolarHBondContact OD1-CB 3.47Å; N92-A94 PolarHBondContact OD1-N 3.36Å; N92-A94 VanDerWaalsContact OD1-N 3.1Å; N92-V95 HydrophobicContact CB-CB 4.12Å; N92-V95 HydrophobicContact CB-CG2 3.79Å; N92-V95 PolarHBondContact O-N 3Å; N92-A96 PolarHBondContact O-N 2.96Å; N92-A96 VanDerWaalsContact O-N 3.15Å
93P31.7Very low35.2Very low105 Ų10570.4 Ų70.468%0.68244%0.435SS*.Hα-helixtrans-60.3-23.9-178.520.5-30.2000113.6A97P93-A97 WeakPolarHBondContact O-CB 2.97Å; P93-A97 PolarHBondContact O-N 3.06Å
94A34.9Very low35.4Very low67 Ų6771.3 Ų71.355%0.55444%0.442SS*.Hα-helixtrans-71.8-33.8174.800000112.5N92 A98N92-A94 PolarHBondContact O-N 3.07Å; N92-A94 VanDerWaalsContact O-N 3.11Å; N92-A94 WeakPolarHBondContact OD1-CB 3.47Å; N92-A94 PolarHBondContact OD1-N 3.36Å; N92-A94 VanDerWaalsContact OD1-N 3.1Å; A94-A98 VanDerWaalsContact O-CB 3.28Å; A94-A98 WeakPolarHBondContact O-CB 3.38Å; A94-A98 PolarHBondContact O-N 3.46Å
95V38.4Very low35.5Very low53 Ų5371.9 Ų71.932%0.32145%0.447SS..Hα-helixtrans-74.4-41.1177.9178.70000110.2N92 A98 A99N92-V95 HydrophobicContact CB-CB 4.12Å; N92-V95 HydrophobicContact CB-CG2 3.79Å; N92-V95 PolarHBondContact O-N 3Å; V95-A98 PolarHBondContact O-N 2.91Å; V95-A99 WeakPolarHBondContact O-CB 3.13Å; V95-A99 PolarHBondContact O-N 3.45Å
96A38.1Very low35.4Very low44 Ų4471 Ų7136%0.36444%0.439SS..Hα-helixtrans-62.8-42.6173.200000112.1N92 L100N92-A96 PolarHBondContact O-N 2.96Å; N92-A96 VanDerWaalsContact O-N 3.15Å; A96-L100 WeakPolarHBondContact O-CB 3.01Å; A96-L100 PolarHBondContact O-N 2.91Å
97A36.4Very low35Very low53 Ų5372.5 Ų72.544%0.43845%0.448SS..Hα-helixtrans-67.3-40.8177.100000112.6P93 L100 Q101P93-A97 WeakPolarHBondContact O-CB 2.97Å; P93-A97 PolarHBondContact O-N 3.06Å; A97-L100 PolarHBondContact O-N 3.27Å; A97-Q101 VanDerWaalsContact O-CB 3.31Å; A97-Q101 WeakPolarHBondContact O-CB 3.25Å; A97-Q101 PolarHBondContact O-N 3.1Å
98A40Very low34.7Very low55 Ų5569.9 Ų69.946%0.45545%0.45SS..Hα-helixtrans-65.3-40176.600000112.2A94 V95 Q101 A102A94-A98 VanDerWaalsContact O-CB 3.28Å; A94-A98 WeakPolarHBondContact O-CB 3.38Å; A94-A98 PolarHBondContact O-N 3.46Å; V95-A98 PolarHBondContact O-N 2.91Å; A98-Q101 PolarHBondContact O-N 3.03Å; A98-A102 WeakPolarHBondContact O-CB 3.22Å; A98-A102 PolarHBondContact O-N 3.48Å
99A40.4Very low34.5Very low24 Ų2469.7 Ų69.720%0.19845%0.453CS..Hα-helixtrans-62.5-46.8173.200000111A23 A27 V95 Q101 A102 A103A23-A99 HydrophobicContact CB-CB 4.35Å; A27-A99 HydrophobicContact CB-CB 4.47Å; A27-A99 WeakPolarHBondContact CB-O 3.37Å; V95-A99 WeakPolarHBondContact O-CB 3.13Å; V95-A99 PolarHBondContact O-N 3.45Å; A99-Q101 VanDerWaalsContact C-N 3.31Å; A99-Q101 PolarHBondContact O-N 3.06Å; A99-A102 PolarHBondContact O-N 2.95Å; A99-A103 PolarHBondContact O-N 3.15Å
100L39Very low34.1Very low131 Ų13170.7 Ų70.769%0.68647%0.468SS*.Hα-helixtrans-62.9-37177.9-167.469.2000112.6A96 A97 A103 A104A96-L100 WeakPolarHBondContact O-CB 3.01Å; A96-L100 PolarHBondContact O-N 2.91Å; A97-L100 PolarHBondContact O-N 3.27Å; L100-A103 WeakPolarHBondContact O-CB 2.92Å; L100-A103 PolarHBondContact O-N 3.12Å; L100-A104 PolarHBondContact O-N 2.98Å
101Q38.3Very low33.8Very low140 Ų14069.5 Ų69.565%0.65447%0.466SS*.Hα-helixtrans-73.3-37.1178.9-167.5164.520.500112.5A97 A98 A99 A103 A104 A105A97-Q101 VanDerWaalsContact O-CB 3.31Å; A97-Q101 WeakPolarHBondContact O-CB 3.25Å; A97-Q101 PolarHBondContact O-N 3.1Å; A98-Q101 PolarHBondContact O-N 3.03Å; A99-Q101 VanDerWaalsContact C-N 3.31Å; A99-Q101 PolarHBondContact O-N 3.06Å; Q101-A103 VanDerWaalsContact C-N 3.35Å; Q101-A104 PolarHBondContact O-N 3.19Å; Q101-A105 PolarHBondContact O-N 3.4Å; Q101-A105 VanDerWaalsContact O-N 3.12Å
102A38.5Very low33.5Very low33 Ų3369.7 Ų69.727%0.27347%0.465SS..Hα-helixtrans-65.4-36.9172.500000112.1A24 A27 A98 A99 A105 A106A24-A102 HydrophobicContact CB-CB 4.04Å; A27-A102 HydrophobicContact CB-CB 4.48Å; A98-A102 WeakPolarHBondContact O-CB 3.22Å; A98-A102 PolarHBondContact O-N 3.48Å; A99-A102 PolarHBondContact O-N 2.95Å; A102-A105 PolarHBondContact O-N 3.19Å; A102-A106 PolarHBondContact O-N 3.44Å
103A36.8Very low33.4Very low14 Ų1471.4 Ų71.412%0.11647%0.469CS..Hα-helixtrans-59.5-50.1173.600000111.5A27 S31 A99 L100 Q101 A105 A106 N107A27-A103 HydrophobicContact CB-CB 3.7Å; A27-A103 VanDerWaalsContact O-CA 3.27Å; A27-A103 WeakPolarHBondContact O-CA 3.3Å; A27-A103 WeakPolarHBondContact O-CB 3.4Å; S31-A103 WeakPolarHBondContact CB-O 3.27Å; S31-A103 PolarHBondContact OG-O 3.43Å; A99-A103 PolarHBondContact O-N 3.15Å; L100-A103 WeakPolarHBondContact O-CB 2.92Å; L100-A103 PolarHBondContact O-N 3.12Å; Q101-A103 VanDerWaalsContact C-N 3.35Å; A103-A105 VanDerWaalsContact C-N 3.31Å; A103-A105 PolarHBondContact O-N 3.2Å; A103-A106 PolarHBondContact O-N 3.48Å; A103-N107 PolarHBondContact O-N 3.4Å
104A34.1Very low33Very low61 Ų6171.1 Ų71.150%0.50447%0.466SS..Hα-helixtrans-63.6-36.7-178.200000112.3L100 Q101 N107 A108L100-A104 PolarHBondContact O-N 2.98Å; Q101-A104 PolarHBondContact O-N 3.19Å; A104-N107 PolarHBondContact O-N 3.3Å; A104-A108 PolarHBondContact O-N 3.49Å
105A32.8Very low32.5Very low55 Ų5574 Ų7446%0.45548%0.476SS..Hα-helixtrans-70.6-32.8178.800000113.5Q101 A102 A103 N109Q101-A105 PolarHBondContact O-N 3.4Å; Q101-A105 VanDerWaalsContact O-N 3.12Å; A102-A105 PolarHBondContact O-N 3.19Å; A103-A105 VanDerWaalsContact C-N 3.31Å; A103-A105 PolarHBondContact O-N 3.2Å; A105-N109 PolarHBondContact O-ND2 3.32Å
106A32.9Very low31.9Very low15 Ų1577.2 Ų77.212%0.12450%0.501CS..Hα-helixtrans-71.4-37.6175.400000112A28 A102 A103 N109 F113A28-A106 HydrophobicContact CB-CB 3.66Å; A102-A106 PolarHBondContact O-N 3.44Å; A103-A106 PolarHBondContact O-N 3.48Å; A106-N109 PolarHBondContact O-N 3.23Å; A106-F113 HydrophobicContact CB-CZ 4.25Å
107N28.1Very low31.4Very low83 Ų8379.9 Ų79.944%0.44452%0.515SS..Hα-helixtrans-61.5-43.6176.2-153.6-18.2000112.7S31 A103 A104 N109 G110S31-N107 PolarHBondContact O-ND2 2.66Å; S31-N107 PolarHBondContact O-OD1 3.07Å; S31-N107 WeakPolarHBondContact OG-CB 3.23Å; S31-N107 PolarHBondContact OG-ND2 3.18Å; A103-N107 PolarHBondContact O-N 3.4Å; A104-N107 PolarHBondContact O-N 3.3Å; N107-N109 PolarHBondContact O-N 3.44Å; N107-N109 VanDerWaalsContact O-N 3.14Å; N107-G110 PolarHBondContact O-N 3.05Å
108A26.2Very low31Very low83 Ų8381.6 Ų81.669%0.68652%0.515SS*.THydrogen-bonded Turntrans-66.8-16.5-174.300000113.8A104A104-A108 PolarHBondContact O-N 3.49Å
109N26.2Very low30.4Very low118 Ų11883.6 Ų83.663%0.63153%0.532SS*.THydrogen-bonded Turntrans-110.46.4-174-74.2-65000114.5A105 A106 N107 I111A105-N109 PolarHBondContact O-ND2 3.32Å; A106-N109 PolarHBondContact O-N 3.23Å; N107-N109 PolarHBondContact O-N 3.44Å; N107-N109 VanDerWaalsContact O-N 3.14Å; N109-I111 HydrophobicContact CB-CD1 3.81Å; N109-I111 HydrophobicContact CB-CG1 3.6Å; N109-I111 PolarHBondContact O-N 3.14Å; N109-I111 VanDerWaalsContact O-N 3.09Å
110G25.6Very low29.7Very low68 Ų6888.6 Ų88.670%0.70156%0.56SS**THydrogen-bonded Turntrans58.227.2174.900000114.5N107 P112N107-G110 PolarHBondContact O-N 3.05Å; G110-P112 VanDerWaalsContact O-CD 3.27Å; G110-P112 WeakPolarHBondContact O-CD 3.03Å
111I27.9Very low29.3Very low95 Ų9584 Ų8449%0.48754%0.54SS..  trans-75.2116.7-171.6-47.2178.2000109N109 F113N109-I111 HydrophobicContact CB-CD1 3.81Å; N109-I111 HydrophobicContact CB-CG1 3.6Å; N109-I111 PolarHBondContact O-N 3.14Å; N109-I111 VanDerWaalsContact O-N 3.09Å; I111-F113 PolarHBondContact O-N 3.01Å
112P25.7Very low29.1Very low92 Ų9281.7 Ų81.760%0.59754%0.537SS*.  trans-67.6132.2170.626.4-30.3000109.6G110 T114G110-P112 VanDerWaalsContact O-CD 3.27Å; G110-P112 WeakPolarHBondContact O-CD 3.03Å; P112-T114 PolarHBondContact O-N 3.25Å
113F29.4Very low28.8Very low110 Ų11085.6 Ų85.648%0.48255%0.545SS..SBendtrans-70.143.9177.9-78.1-78.3000113.9A28 A106 I111A28-F113 VanDerWaalsContact CA-CZ 3.47Å; A28-F113 HydrophobicContact CB-CE1 3.22Å; A28-F113 HydrophobicContact CB-CZ 3.31Å; A28-F113 WeakPolarHBondContact O-CE2 3.21Å; A28-F113 WeakPolarHBondContact O-CZ 3.48Å; A106-F113 HydrophobicContact CB-CZ 4.25Å; I111-F113 PolarHBondContact O-N 3.01Å
114T23.6Very low28.6Very low99 Ų9990.8 Ų90.861%0.60757%0.567SS**  trans-115.8116.3178.858.60000108.2P112P112-T114 PolarHBondContact O-N 3.25Å
115T24.8Very low28.6Very low127 Ų12791.9 Ų91.978%0.77957%0.571SS**SBendtrans84.3115.6-174.475.60000115.2P117T115-P117 WeakPolarHBondContact O-CD 3.07Å; T115-P117 WeakPolarHBondContact O-CG 3.47Å
116S25.3Very low28.8Very low121 Ų12191.7 Ų91.785%0.84656%0.562SS**  trans-62.4114.6168.2-89.10000110
117P27.3Very low28.7Very low101 Ų10194.2 Ų94.266%0.65659%0.59SS**  trans-95.9-1.3-178.9-0.221.6000113.7T115 A119 T120T115-P117 WeakPolarHBondContact O-CD 3.07Å; T115-P117 WeakPolarHBondContact O-CG 3.47Å; P117-A119 PolarHBondContact O-N 3.32Å; P117-T120 PolarHBondContact O-N 3.09Å
118M28.5Very low28.9Very low88 Ų8896.6 Ų96.643%0.43360%0.603SS.*THydrogen-bonded Turntrans-70.90.1-178.1-73.1-160.77200114.4N21 T120 Y123N21-M118 HydrophobicContact CB-CE 4.05Å; N21-M118 HydrophobicContact CB-SD 3.9Å; N21-M118 WeakPolarHBondContact OD1-CE 3.39Å; M118-T120 PolarHBondContact O-N 3.46Å; M118-Y123 HydrophobicContact CE-CD2 4.33Å; M118-Y123 HydrophobicContact CE-CE2 4.25Å
119A27.6Very low29.1Very low98 Ų9895.9 Ų95.981%0.8160%0.603SS**THydrogen-bonded Turntrans-69.4-7172.600000114.1P117P117-A119 PolarHBondContact O-N 3.32Å
120T26.1Very low29.3Very low129 Ų12995.8 Ų95.879%0.79160%0.599SS**SBendtrans-136.74.1-169-27.80000116.1P117 M118P117-T120 PolarHBondContact O-N 3.09Å; M118-T120 PolarHBondContact O-N 3.46Å
121A30.2Very low29.9Very low33 Ų3397.4 Ų97.427%0.27359%0.591SS.*  trans-116.5112.2-178.500000112.1Y123A121-Y123 HydrophobicContact CB-CD2 4.16Å; A121-Y123 HydrophobicContact CB-CE2 3.53Å; A121-Y123 WeakPolarHBondContact O-CD2 3.24Å; A121-Y123 PolarHBondContact O-N 2.99Å
122T32.6Very low30.1Very low93 Ų9397.8 Ų97.857%0.57159%0.591SS**  trans-77108.4172.9-48.80000108.7A134T122-A134 HydrophobicContact CG2-CB 4.27Å; T122-A134 WeakPolarHBondContact O-CB 3.35Å; T122-A134 PolarHBondContact O-N 3.31Å
123Y33.9Very low30.7Very low114 Ų11496.5 Ų96.545%0.44758%0.579SS.*EExtended strand (participates in β ladder)trans-94.7132.3170.7-67.7-90.7000109.5M118 A121 Q132 N133M118-Y123 HydrophobicContact CE-CD2 4.33Å; M118-Y123 HydrophobicContact CE-CE2 4.25Å; A121-Y123 HydrophobicContact CB-CD2 4.16Å; A121-Y123 HydrophobicContact CB-CE2 3.53Å; A121-Y123 WeakPolarHBondContact O-CD2 3.24Å; A121-Y123 PolarHBondContact O-N 2.99Å; Y123-Q132 CarbonylContact C-O 3.57Å; Y123-Q132 WeakPolarHBondContact CA-O 2.85Å; Y123-N133 HydrophobicContact CD1-CB 4.31Å; Y123-N133 HydrophobicContact CE1-CB 4.09Å
124Q32.2Very low31.2Very low124 Ų12493.6 Ų93.658%0.57958%0.575SS**EExtended strand (participates in β ladder)trans-110.7138.4175.4-74.5177.1-8.700110.1Q132 A134Q124-Q132 PolarHBondContact N-O 3.38Å; Q124-Q132 PolarHBondContact O-N 3.07Å; Q124-A134 HydrophobicContact CB-CB 4.42Å; Q124-A134 HydrophobicContact CG-CB 3.86Å
125S34.3Very low32Very low84 Ų8493.7 Ų93.759%0.58758%0.575SS**EExtended strand (participates in β ladder)trans-76.3134.3172.8174.30000110.1G127S125-G127 VanDerWaalsContact C-N 3.3Å; S125-G127 PolarHBondContact O-N 3.39Å
126N37.2Very low32.6Very low50 Ų5090.5 Ų90.527%0.26756%0.562SS.*  trans-89.317.5-17876.3-17.2000115.2N128 Q130 Q132N126-N128 PolarHBondContact O-N 2.98Å; N126-N128 VanDerWaalsContact O-N 3.11Å; N126-N128 WeakPolarHBondContact OD1-CA 3.07Å; N126-N128 WeakPolarHBondContact OD1-CB 3.19Å; N126-N128 PolarHBondContact OD1-N 3.45Å; N126-Q130 PolarHBondContact N-O 2.88Å; N126-Q130 VanDerWaalsContact N-O 3.08Å; N126-Q130 WeakPolarHBondContact OD1-CB 3.1Å; N126-Q130 PolarHBondContact OD1-N 3.14Å; N126-Q130 VanDerWaalsContact OD1-N 3.1Å; N126-Q130 PolarHBondContact OD1-O 3.14Å; N126-Q132 VanDerWaalsContact CB-CD 3.41Å; N126-Q132 HydrophobicContact CB-CG 3.91Å; N126-Q132 PolarHBondContact ND2-NE2 2.8Å; N126-Q132 VanDerWaalsContact ND2-NE2 3.15Å
127G30.8Very low32.8Very low69 Ų6989.3 Ų89.371%0.71155%0.549SS*.SBendtrans74.1-9.1-17600000115S125S125-G127 VanDerWaalsContact C-N 3.3Å; S125-G127 PolarHBondContact O-N 3.39Å
128N31.4Very low33Very low133 Ų13387.7 Ų87.771%0.71154%0.539SS*.SBendtrans-109.915.7178.2-63-27.5000112.9N126 Q130N126-N128 PolarHBondContact O-N 2.98Å; N126-N128 VanDerWaalsContact O-N 3.11Å; N126-N128 WeakPolarHBondContact OD1-CA 3.07Å; N126-N128 WeakPolarHBondContact OD1-CB 3.19Å; N126-N128 PolarHBondContact OD1-N 3.45Å; N128-Q130 PolarHBondContact O-N 3.46Å
129G30Very low33.2Very low67 Ų6786.9 Ų86.969%0.69155%0.546SS*.SBendtrans72.214.3-176.400000114.3
130Q31.7Very low33.6Very low117 Ų11787.2 Ų87.255%0.54754%0.543SS..  trans-100.2136173.2-52.6-76.2-49.300109.6N126 N128N126-Q130 PolarHBondContact N-O 2.88Å; N126-Q130 VanDerWaalsContact N-O 3.08Å; N126-Q130 WeakPolarHBondContact OD1-CB 3.1Å; N126-Q130 PolarHBondContact OD1-N 3.14Å; N126-Q130 VanDerWaalsContact OD1-N 3.1Å; N126-Q130 PolarHBondContact OD1-O 3.14Å; N128-Q130 PolarHBondContact O-N 3.46Å
131L36.5Very low34Very low101 Ų10187 Ų8753%0.52954%0.537SS..EExtended strand (participates in β ladder)trans-85.2123174-63.4172.4000109.4
132Q32.2Very low34.2Very low104 Ų10494.5 Ų94.549%0.48656%0.558SS.*EExtended strand (participates in β ladder)trans-109.7134.4175.6-62.2-175.6-0.800109.7Y123 Q124 N126 A134Y123-Q132 CarbonylContact C-O 3.57Å; Y123-Q132 WeakPolarHBondContact CA-O 2.85Å; Q124-Q132 PolarHBondContact N-O 3.38Å; Q124-Q132 PolarHBondContact O-N 3.07Å; N126-Q132 VanDerWaalsContact CB-CD 3.41Å; N126-Q132 HydrophobicContact CB-CG 3.91Å; N126-Q132 PolarHBondContact ND2-NE2 2.8Å; N126-Q132 VanDerWaalsContact ND2-NE2 3.15Å; Q132-A134 PolarHBondContact O-N 3.23Å
133N38.4Very low34.2Very low65 Ų6598.6 Ų98.635%0.34857%0.571SS.*EExtended strand (participates in β ladder)trans-69.6111.5174.3178.9-7.4000108.9Y123 T135 A136Y123-N133 HydrophobicContact CD1-CB 4.31Å; Y123-N133 HydrophobicContact CE1-CB 4.09Å; N133-T135 PolarHBondContact O-N 3.48Å; N133-T135 WeakPolarHBondContact OD1-CA 3.38Å; N133-T135 WeakPolarHBondContact OD1-CB 3.27Å; N133-T135 PolarHBondContact OD1-N 3.2Å; N133-T135 PolarHBondContact OD1-OG1 3.09Å; N133-A136 HydrophobicContact CB-CB 3.82Å; N133-A136 PolarHBondContact O-N 3.22Å; N133-A136 VanDerWaalsContact O-N 3.09Å; N133-A136 PolarHBondContact OD1-N 2.79Å
134A40.9Very low34.5Very low48 Ų48106 Ų10640%0.39761%0.61SS.*THydrogen-bonded Turntrans-68.2-7.3-177.300000113.3T122 Q124 Q132T122-A134 HydrophobicContact CG2-CB 4.27Å; T122-A134 WeakPolarHBondContact O-CB 3.35Å; T122-A134 PolarHBondContact O-N 3.31Å; Q124-A134 HydrophobicContact CB-CB 4.42Å; Q124-A134 HydrophobicContact CG-CB 3.86Å; Q132-A134 PolarHBondContact O-N 3.23Å
135T39.9Very low34.6Very low101 Ų101105.2 Ų105.262%0.6261%0.611SS**THydrogen-bonded Turntrans-106.8-3177.4180000113.6N133 T137N133-T135 PolarHBondContact O-N 3.48Å; N133-T135 WeakPolarHBondContact OD1-CA 3.38Å; N133-T135 WeakPolarHBondContact OD1-CB 3.27Å; N133-T135 PolarHBondContact OD1-N 3.2Å; N133-T135 PolarHBondContact OD1-OG1 3.09Å; T135-T137 PolarHBondContact O-N 3.1Å
136A37Very low34.6Very low60 Ų60106.3 Ų106.350%0.49661%0.612SS.*  trans-9087.3177.100000110.4N133N133-A136 HydrophobicContact CB-CB 3.82Å; N133-A136 PolarHBondContact O-N 3.22Å; N133-A136 VanDerWaalsContact O-N 3.09Å; N133-A136 PolarHBondContact OD1-N 2.79Å
137T30.5Very low34.4Very low96 Ų96109.4 Ų109.459%0.58963%0.632SS**  trans-52.9128.6156.2-46.20000107.9T135 A139T135-T137 PolarHBondContact O-N 3.1Å; T137-A139 PolarHBondContact O-N 2.81Å; T137-A139 VanDerWaalsContact O-N 3.14Å
138P32.2Very low34.7Very low68 Ų68111.8 Ų111.844%0.44263%0.627SS.*  trans-51.6125.2177.7-21.629.8000109.3S140 D141P138-S140 PolarHBondContact O-N 3.01Å; P138-D141 PolarHBondContact O-N 2.84Å
139A32.1Very low34.9Very low70 Ų70110.4 Ų110.458%0.57962%0.622SS**G310 helixtrans-61.6-11.6175.500000112.3T137T137-A139 PolarHBondContact O-N 2.81Å; T137-A139 VanDerWaalsContact O-N 3.14Å
140S34.6Very low35.2Very low106 Ų106113.3 Ų113.374%0.74162%0.617SS**G310 helixtrans-78.7-11.2171.123.50000115.2P138P138-S140 PolarHBondContact O-N 3.01Å
141D35Very low35.4Very low124 Ų124113.1 Ų113.166%0.66362%0.622SS**G310 helixtrans-94.71.6171.7-97.9-56.5000112.9P138P138-D141 PolarHBondContact O-N 2.84Å
142R35.9Very low35.4Very low190 Ų190114 Ų11472%0.71763%0.629SS**SBendtrans-100.116.2179.8-77.3-166.2-78.2142.4-6.5114.2
143Q32.1Very low35.6Very low180 Ų180114.8 Ų114.884%0.84164%0.641SS**  trans-121.889.9168.7-62.6-15113.200110.2
144Q39Very low35.4Very low270 Ų270119.4 Ų119.4100%1.26267%0.668SS**  trans-111.50149.5-78.2-16944.300107.6

Retrieved 144 of 144 residues in 138.5 ms (Link to these results)