A0A077ZCR7_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZCR7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 173 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
1M50.5Low56.8Low244 Ų244154.5 Ų154.5100%1.20284%0.842SS**  082.80-59.5-160.3166.800106.4
2Q43.3Very low57.1Low183 Ų183153.7 Ų153.786%0.85583%0.834SS**  53.6101.580.7-118.7174.38.300113.3
3S57Low56.9Low113 Ų113148.7 Ų148.779%0.7981%0.812SS**  trans-165.574.6159.3-70.40000108.4K5S3-K5 PolarHBondContact O-N 2.85Å
4D52.8Low57.3Low163 Ų163143.6 Ų143.687%0.87278%0.782SS**  trans-70.4109.3165.9-73.6-44.2000108.4A6D4-A6 PolarHBondContact O-N 3Å
5K61.5Low57.9Low198 Ų198151.7 Ų151.786%0.86180%0.797SS**  trans-84.6100170.6-76.1-92.8179.2171.20107.9S3 S7S3-K5 PolarHBondContact O-N 2.85Å; K5-S7 PolarHBondContact O-N 2.98Å
6A53.7Low58.8Low101 Ų101147.4 Ų147.484%0.83578%0.783SS**  trans-57.9115.8167.500000109.7D4 E8D4-A6 PolarHBondContact O-N 3Å; A6-E8 PolarHBondContact O-N 2.96Å
7S59.8Low59.2Low117 Ų117142.1 Ų142.182%0.81877%0.772SS**  trans-80.5105.4172.91740000108.7K5 E9K5-S7 PolarHBondContact O-N 2.98Å; S7-E9 PolarHBondContact O-N 2.8Å; S7-E9 VanDerWaalsContact O-N 3.15Å
8E60.4Low59.6Low186 Ų186144.9 Ų144.987%0.86977%0.769SS**  trans-66.5102.9173.9-134.6171.2-177.900109.4A6 N10A6-E8 PolarHBondContact O-N 2.96Å; E8-N10 PolarHBondContact O-N 3.05Å
9E64.5Low59.9Low177 Ų177143.9 Ų143.983%0.82776%0.764SS**  trans-74.4105.7176.1-173.1176.2174.200109.3S7 A11S7-E9 PolarHBondContact O-N 2.8Å; S7-E9 VanDerWaalsContact O-N 3.15Å; E9-A11 PolarHBondContact O-N 3.37Å
10N61.9Low59.9Low159 Ų159143.8 Ų143.885%0.8576%0.76SS**  trans-60.788.9174.3-98.3-34000111.1E8 I12E8-N10 PolarHBondContact O-N 3.05Å; N10-I12 PolarHBondContact O-N 3.46Å; N10-I12 VanDerWaalsContact O-N 3.16Å
11A59.8Low60.3Low59 Ų59147.7 Ų147.749%0.48877%0.765SS.*  trans-70.2106.3169.400000109.7E9 T13 L19E9-A11 PolarHBondContact O-N 3.37Å; A11-T13 PolarHBondContact O-N 3.11Å; A11-T13 PolarHBondContact O-OG1 3.15Å; A11-L19 HydrophobicContact CB-CD2 4.45Å
12I59.8Low60.9Low144 Ų144141.2 Ų141.274%0.73874%0.744SS**  trans-64.4100.5169.5-61.3170.7000107.4N10 L14N10-I12 PolarHBondContact O-N 3.46Å; N10-I12 VanDerWaalsContact O-N 3.16Å; I12-L14 PolarHBondContact O-N 2.78Å
13T54.9Low62Low89 Ų89143.4 Ų143.455%0.54674%0.744SS.*BIsolated β-bridgetrans-80.5118.6176.7-560000108.1A11A11-T13 PolarHBondContact O-N 3.11Å; A11-T13 PolarHBondContact O-OG1 3.15Å
14L62.9Low62.4Low77 Ų77143.7 Ų143.740%0.40374%0.743SS.*  trans-64.4151171.2-64.1176.2000109.2I12 S16 G17 M20I12-L14 PolarHBondContact O-N 2.78Å; L14-S16 PolarHBondContact O-N 2.88Å; L14-G17 PolarHBondContact O-N 2.89Å; L14-M20 HydrophobicContact CD1-CG 3.72Å; L14-M20 HydrophobicContact CD1-SD 4.37Å; L14-M20 HydrophobicContact CG-CG 4.1Å
15R66.6Low62.8Low266 Ų266147.1 Ų147.1100%1.00474%0.744SS**THydrogen-bonded Turntrans-55.5-9.5177.6-164.3169.9171.8159.6-2.7114.2
16S71.6Confident62.8Low82 Ų82145.6 Ų145.657%0.57374%0.744SS**THydrogen-bonded Turntrans-93.13.8173.463.90000115.1L14 R18L14-S16 PolarHBondContact O-N 2.88Å; S16-R18 PolarHBondContact O-N 2.93Å
17G64.9Low62.8Low57 Ų57148.3 Ų148.359%0.58875%0.745SS**SBendtrans69.76.8-176.600000114.5L14L14-G17 PolarHBondContact O-N 2.89Å
18R66.7Low62.5Low193 Ų193145.5 Ų145.573%0.72874%0.735SS**  trans-86.5120.4177.6-68.9-174179.9-171.70.1110.5S16 M20S16-R18 PolarHBondContact O-N 2.93Å; R18-M20 PolarHBondContact O-N 3.04Å
19L64.8Low62.4Low126 Ų126145.3 Ų145.366%0.6673%0.733SS**BIsolated β-bridgetrans-64.1122.9166.7-104.4101.9000109.9A11 R21A11-L19 HydrophobicContact CB-CD2 4.45Å; L19-R21 PolarHBondContact O-N 3.14Å; L19-R21 VanDerWaalsContact O-N 3.11Å
20M61Low61.8Low141 Ų141149 Ų14970%0.69574%0.739SS**  trans-72.899.5166.3-78.5-139.771.400109.3L14 R18 S22L14-M20 HydrophobicContact CD1-CG 3.72Å; L14-M20 HydrophobicContact CD1-SD 4.37Å; L14-M20 HydrophobicContact CG-CG 4.1Å; R18-M20 PolarHBondContact O-N 3.04Å; M20-S22 PolarHBondContact O-N 2.95Å
21R68.3Low61.8Low226 Ų226152.3 Ų152.385%0.85374%0.74SS**  trans-70109.5166-74.3-176.5171.9174.2-2.2108.8L19 R23L19-R21 PolarHBondContact O-N 3.14Å; L19-R21 VanDerWaalsContact O-N 3.11Å; R21-R23 PolarHBondContact O-N 3.26Å; R21-R23 VanDerWaalsContact O-N 3.15Å
22S62.8Low62.2Low109 Ų109154.4 Ų154.476%0.76275%0.749SS**  trans-57.7113.5167.145.40000109.2M20M20-S22 PolarHBondContact O-N 2.95Å
23R67.3Low62.6Low229 Ų229152.8 Ų152.886%0.86475%0.748SS**  trans-66136.5176.8-79.2-175.5167.7-169.4-3.5109.9R21 R25R21-R23 PolarHBondContact O-N 3.26Å; R21-R23 VanDerWaalsContact O-N 3.15Å; R23-R25 PolarHBondContact O-N 2.97Å
24P64.5Low63.1Low119 Ų119154 Ų15477%0.77376%0.757SS**  trans-57.2130.1173.2-15.927.2000109L26P24-L26 PolarHBondContact O-N 2.81Å
25R62Low63Low234 Ų234162.4 Ų162.488%0.88378%0.784SS**  trans-64103.1169.7-70.8-162.5169.1-172.5-1.5107.3R23 N27R23-R25 PolarHBondContact O-N 2.97Å; R25-N27 VanDerWaalsContact C-N 3.33Å; R25-N27 PolarHBondContact O-N 2.9Å
26L60.9Low62.5Low166 Ų166160.9 Ų160.987%0.86978%0.778SS**  trans-58.3102.7164.3-108.6138.7000106.5P24 G28P24-L26 PolarHBondContact O-N 2.81Å; L26-G28 PolarHBondContact O-N 2.97Å
27N53.4Low61.8Low158 Ų158160.1 Ų160.185%0.84578%0.783SS**  trans-64.671161.6-80.7-23.7000107.6R25 H29R25-N27 VanDerWaalsContact C-N 3.33Å; R25-N27 PolarHBondContact O-N 2.9Å; N27-H29 PolarHBondContact O-N 3.4Å
28G54.1Low61.5Low59 Ų59163.5 Ų163.561%0.60879%0.792SS**  trans-78.3113.7172.100000108.1L26 R30L26-G28 PolarHBondContact O-N 2.97Å; G28-R30 PolarHBondContact O-N 2.91Å
29H56.9Low61.2Low182 Ų182165.2 Ų165.284%0.84380%0.798SS**  trans-33.3127.5173.2-67.5-78000112.5N27 R31N27-H29 PolarHBondContact O-N 3.4Å; H29-R31 VanDerWaalsContact C-N 3.31Å; H29-R31 PolarHBondContact O-N 2.86Å
30R52.5Low60.9Low253 Ų253164.9 Ų164.996%0.95580%0.801SS**  trans-48.491.8170.5-80.9-179.4172.6177.9-2110.1G28G28-R30 PolarHBondContact O-N 2.91Å
31R63.1Low61Low229 Ų229164.2 Ų164.286%0.86481%0.805SS**PPolyproline II helixtrans-92.1119154.6-158172.2-170.4171.92.5105.4H29H29-R31 VanDerWaalsContact C-N 3.31Å; H29-R31 PolarHBondContact O-N 2.86Å
32P67.8Low60.3Low104 Ų104158.2 Ų158.268%0.67580%0.798SS**PPolyproline II helixtrans-55.8136.6171.64.7-1.7000107.5
33P66.7Low60Low110 Ų110161 Ų16171%0.71480%0.799SS**PPolyproline II helixtrans-53.9137.5172.923.4-31.3000107.4R35P33-R35 PolarHBondContact O-N 3.38Å; P33-R35 VanDerWaalsContact O-N 3.16Å
34P65.4Low59.2Low114 Ų114158 Ų15874%0.7480%0.795SS**PPolyproline II helixtrans-52.2132.3170.523.5-30.9000106.2R36P34-R36 PolarHBondContact O-N 3.49Å
35R61Low58.9Low254 Ų254156.1 Ų156.196%0.95878%0.784SS**  trans-58.386.5170.9-76.8-176171.9175.5-2.5106.5P33 G37P33-R35 PolarHBondContact O-N 3.38Å; P33-R35 VanDerWaalsContact O-N 3.16Å; R35-G37 VanDerWaalsContact C-N 3.29Å; R35-G37 PolarHBondContact O-N 3.07Å
36R57.8Low59Low233 Ų233153.6 Ų153.688%0.87978%0.78SS**  trans-61104.7165-110.1-175.9-179.3-161.80.4102.6P34 V38P34-R36 PolarHBondContact O-N 3.49Å; R36-V38 PolarHBondContact O-N 2.91Å; R36-V38 VanDerWaalsContact O-N 3.11Å
37G56.5Low59.3Low66 Ų66152.2 Ų152.268%0.6877%0.773SS**  trans-45.3125.2167.700000106.4R35 R39R35-G37 VanDerWaalsContact C-N 3.29Å; R35-G37 PolarHBondContact O-N 3.07Å; G37-R39 PolarHBondContact O-N 3.47Å
38V58.6Low60.1Low128 Ų128148.8 Ų148.878%0.77676%0.758SS**  trans-60.692173.9178.80000104.7R36 T40R36-V38 PolarHBondContact O-N 2.91Å; R36-V38 VanDerWaalsContact O-N 3.11Å; V38-T40 HydrophobicContact CG1-CG2 4.16Å; V38-T40 PolarHBondContact O-N 3.06Å
39R60.2Low61.3Low229 Ų229149 Ų14986%0.86475%0.747SS**  trans-63.697.4157.6-98.3179.484.7160.63102.7G37 V41G37-R39 PolarHBondContact O-N 3.47Å; R39-V41 PolarHBondContact O-N 3.19Å
40T58.5Low62.3Low119 Ų119144.3 Ų144.373%0.7374%0.74SS**  trans-55.798.8157.147.50000104.7V38 S42V38-T40 HydrophobicContact CG1-CG2 4.16Å; V38-T40 PolarHBondContact O-N 3.06Å; T40-S42 PolarHBondContact O-N 3.09Å
41V61.9Low63.7Low127 Ų127137.1 Ų137.177%0.7772%0.724SS**  trans-68.496.2164.5-154.10000102.3R39 H43R39-V41 PolarHBondContact O-N 3.19Å; V41-H43 VanDerWaalsContact C-N 3.28Å; V41-H43 PolarHBondContact O-N 3.38Å
42S54.3Low64.6Low101 Ų101131 Ų13171%0.70671%0.705SS**  trans-58.7104.2169.8-173.70000104.9T40 E44T40-S42 PolarHBondContact O-N 3.09Å; S42-E44 PolarHBondContact O-N 2.82Å
43H57.7Low65.5Low167 Ų167130.9 Ų130.977%0.77370%0.698SS**  trans-74.193172.5-154.1-67.4000104.4V41 S45V41-H43 VanDerWaalsContact C-N 3.28Å; V41-H43 PolarHBondContact O-N 3.38Å; H43-S45 PolarHBondContact O-N 2.86Å
44E49.9Very low66.4Low167 Ų167128.1 Ų128.178%0.7869%0.685SS**  trans-69.485.7171.6-168.1143.2-172.400106.9S42 K46S42-E44 PolarHBondContact O-N 2.82Å; E44-K46 VanDerWaalsContact C-N 3.28Å; E44-K46 PolarHBondContact O-N 3.07Å
45S58.6Low67.3Low79 Ų79125.6 Ų125.655%0.55267%0.673SS**  trans-6597.7163.852.70000106H43 N47H43-S45 PolarHBondContact O-N 2.86Å; S45-N47 VanDerWaalsContact C-N 3.33Å; S45-N47 PolarHBondContact O-N 3.24Å
46K64.1Low68.6Low181 Ų181116.5 Ų116.579%0.78765%0.652SS**  trans-55.3105.8162.7-80.2-178.6175.1-178.20106.3E44 V48E44-K46 VanDerWaalsContact C-N 3.28Å; E44-K46 PolarHBondContact O-N 3.07Å; K46-V48 VanDerWaalsContact C-N 3.32Å; K46-V48 PolarHBondContact O-N 3.09Å
47N66.4Low70.2Confident136 Ų136107.9 Ų107.973%0.72763%0.631SS**  trans-66.7100.9169.6-69.8-30.7000105.5S45 T49S45-N47 VanDerWaalsContact C-N 3.33Å; S45-N47 PolarHBondContact O-N 3.24Å; N47-T49 PolarHBondContact O-N 3.34Å; N47-T49 VanDerWaalsContact O-N 3.09Å
48V71Confident71.7Confident87 Ų87107.1 Ų107.153%0.52761%0.613SS.*  trans-59.5118.3177.5-177.40000106.9K46 E52 I53K46-V48 VanDerWaalsContact C-N 3.32Å; K46-V48 PolarHBondContact O-N 3.09Å; V48-E52 VanDerWaalsContact CA-OE2 3.25Å; V48-E52 WeakPolarHBondContact CA-OE2 3.25Å; V48-E52 HydrophobicContact CG1-CB 3.61Å; V48-E52 WeakPolarHBondContact CG1-OE2 3.46Å; V48-I53 HydrophobicContact CB-CG1 4.46Å; V48-I53 HydrophobicContact CG1-CD1 4.41Å; V48-I53 HydrophobicContact CG1-CG1 3.59Å
49T77.9Confident73.3Confident63 Ų63103.6 Ų103.639%0.38760%0.597SS.*  trans-71.8151.8-177.754.30000109.6N47 T51 E52 I53N47-T49 PolarHBondContact O-N 3.34Å; N47-T49 VanDerWaalsContact O-N 3.09Å; T49-T51 WeakPolarHBondContact CB-OG1 3.47Å; T49-T51 PolarHBondContact O-N 3.32Å; T49-T51 PolarHBondContact OG1-OG1 2.63Å; T49-E52 PolarHBondContact N-OE2 3.48Å; T49-E52 WeakPolarHBondContact O-CB 3.49Å; T49-E52 PolarHBondContact O-N 2.72Å; T49-E52 VanDerWaalsContact OG1-CG 3.3Å; T49-E52 WeakPolarHBondContact OG1-CG 3.42Å; T49-E52 PolarHBondContact OG1-N 3.16Å; T49-I53 PolarHBondContact O-N 2.86Å
50A78.8Confident74.8Confident83 Ų8396.4 Ų96.469%0.68658%0.582SS**Hα-helixtrans-54.1-30.7176.100000112.1I53 A54A50-I53 PolarHBondContact O-N 2.91Å; A50-A54 WeakPolarHBondContact O-CB 3.37Å; A50-A54 PolarHBondContact O-N 3.49Å
51T81.4Confident76.4Confident103 Ų10394.6 Ų94.663%0.63257%0.571SS**Hα-helixtrans-65.7-41.3173.242.60000113.2T49 A54 A55T49-T51 WeakPolarHBondContact CB-OG1 3.47Å; T49-T51 PolarHBondContact O-N 3.32Å; T49-T51 PolarHBondContact OG1-OG1 2.63Å; T51-A54 PolarHBondContact O-N 2.9Å; T51-A55 VanDerWaalsContact O-CB 3.32Å; T51-A55 WeakPolarHBondContact O-CB 3.29Å; T51-A55 PolarHBondContact O-N 3.21Å
52E81.8Confident77.9Confident100 Ų10091.1 Ų91.147%0.46756%0.556SS.*Hα-helixtrans-67.1-39.3174.9-75.9168.6-179.800111.5V48 T49 A55 A56V48-E52 VanDerWaalsContact CA-OE2 3.25Å; V48-E52 WeakPolarHBondContact CA-OE2 3.25Å; V48-E52 HydrophobicContact CG1-CB 3.61Å; V48-E52 WeakPolarHBondContact CG1-OE2 3.46Å; T49-E52 PolarHBondContact N-OE2 3.48Å; T49-E52 WeakPolarHBondContact O-CB 3.49Å; T49-E52 PolarHBondContact O-N 2.72Å; T49-E52 VanDerWaalsContact OG1-CG 3.3Å; T49-E52 WeakPolarHBondContact OG1-CG 3.42Å; T49-E52 PolarHBondContact OG1-N 3.16Å; E52-A55 PolarHBondContact O-N 2.71Å; E52-A56 WeakPolarHBondContact O-CB 3.3Å; E52-A56 PolarHBondContact O-N 2.93Å
53I86Confident79.7Confident102 Ų10291.3 Ų91.352%0.52355%0.552SS.*Hα-helixtrans-62.7-46.7174.3-58177.5000110.1V48 T49 A50 A55 A56 A57V48-I53 HydrophobicContact CB-CG1 4.46Å; V48-I53 HydrophobicContact CG1-CD1 4.41Å; V48-I53 HydrophobicContact CG1-CG1 3.59Å; T49-I53 PolarHBondContact O-N 2.86Å; A50-I53 PolarHBondContact O-N 2.91Å; I53-A55 PolarHBondContact O-N 3.24Å; I53-A56 PolarHBondContact O-N 3.46Å; I53-A57 VanDerWaalsContact O-CB 3.29Å; I53-A57 WeakPolarHBondContact O-CB 3.34Å; I53-A57 PolarHBondContact O-N 2.9Å
54A85.9Confident81.5Confident52 Ų5289.5 Ų89.543%0.4354%0.544SS..Hα-helixtrans-63-41.1178.300000111.9A50 T51 A57 T58A50-A54 WeakPolarHBondContact O-CB 3.37Å; A50-A54 PolarHBondContact O-N 3.49Å; T51-A54 PolarHBondContact O-N 2.9Å; A54-A57 PolarHBondContact O-N 2.71Å; A54-T58 VanDerWaalsContact O-CB 3.29Å; A54-T58 WeakPolarHBondContact O-CB 3.37Å; A54-T58 PolarHBondContact O-N 2.84Å; A54-T58 PolarHBondContact O-OG1 2.69Å
55A86Confident83.6Confident60 Ų6085.3 Ų85.350%0.49653%0.526SS..Hα-helixtrans-64.2-45.9176.200000111.6T51 E52 I53 T58 A59T51-A55 VanDerWaalsContact O-CB 3.32Å; T51-A55 WeakPolarHBondContact O-CB 3.29Å; T51-A55 PolarHBondContact O-N 3.21Å; E52-A55 PolarHBondContact O-N 2.71Å; I53-A55 PolarHBondContact O-N 3.24Å; A55-T58 PolarHBondContact O-N 3.08Å; A55-A59 WeakPolarHBondContact O-CB 3.32Å; A55-A59 PolarHBondContact O-N 3.46Å
56A88.3Confident85.2Confident64 Ų6483.9 Ų83.953%0.52952%0.519SS..Hα-helixtrans-63.7-41.6176.600000112.2E52 I53 A59 S60E52-A56 WeakPolarHBondContact O-CB 3.3Å; E52-A56 PolarHBondContact O-N 2.93Å; I53-A56 PolarHBondContact O-N 3.46Å; A56-A59 PolarHBondContact O-N 3.41Å; A56-S60 WeakPolarHBondContact O-CB 3.37Å; A56-S60 PolarHBondContact O-N 2.85Å
57A90.6Very high86.6Confident51 Ų5176.7 Ų76.742%0.42150%0.496SS..Hα-helixtrans-64.3-44.3175.200000111.5I53 A54 S60 V61I53-A57 VanDerWaalsContact O-CB 3.29Å; I53-A57 WeakPolarHBondContact O-CB 3.34Å; I53-A57 PolarHBondContact O-N 2.9Å; A54-A57 PolarHBondContact O-N 2.71Å; A57-S60 WeakPolarHBondContact O-CB 3.44Å; A57-S60 PolarHBondContact O-N 2.85Å; A57-V61 WeakPolarHBondContact O-CG2 3.38Å; A57-V61 PolarHBondContact O-N 3.34Å
58T88.7Confident87.9Confident50 Ų5075 Ų7531%0.30749%0.485SS..Hα-helixtrans-62.5-45.2177.4-57.60000111A54 A55 S60 V61 A62 W154A54-T58 VanDerWaalsContact O-CB 3.29Å; A54-T58 WeakPolarHBondContact O-CB 3.37Å; A54-T58 PolarHBondContact O-N 2.84Å; A54-T58 PolarHBondContact O-OG1 2.69Å; A55-T58 PolarHBondContact O-N 3.08Å; T58-S60 VanDerWaalsContact C-N 3.33Å; T58-S60 PolarHBondContact O-N 3.22Å; T58-V61 PolarHBondContact O-N 3.19Å; T58-A62 WeakPolarHBondContact O-CB 3.34Å; T58-A62 PolarHBondContact O-N 3.26Å; T58-W154 HydrophobicContact CG2-CH2 3.83Å; T58-W154 HydrophobicContact CG2-CZ2 3.61Å
59A90.5Very high89Confident54 Ų5476.7 Ų76.745%0.44649%0.485SS..Hα-helixtrans-60.3-43.5174.900000111.4A55 A56 V61 A62 T63A55-A59 WeakPolarHBondContact O-CB 3.32Å; A55-A59 PolarHBondContact O-N 3.46Å; A56-A59 PolarHBondContact O-N 3.41Å; A59-V61 PolarHBondContact O-N 3.38Å; A59-A62 PolarHBondContact O-N 3.45Å; A59-T63 PolarHBondContact O-N 3.44Å; A59-T63 PolarHBondContact O-OG1 3.01Å
60S92.1Very high89.8Confident78 Ų7880 Ų8055%0.54550%0.496SS..Hα-helixtrans-60.6-43.9176.3-174.70000112.2A56 A57 T58 T63 Q64A56-S60 WeakPolarHBondContact O-CB 3.37Å; A56-S60 PolarHBondContact O-N 2.85Å; A57-S60 WeakPolarHBondContact O-CB 3.44Å; A57-S60 PolarHBondContact O-N 2.85Å; T58-S60 VanDerWaalsContact C-N 3.33Å; T58-S60 PolarHBondContact O-N 3.22Å; S60-T63 PolarHBondContact O-N 3.12Å; S60-Q64 WeakPolarHBondContact O-CB 3.33Å; S60-Q64 PolarHBondContact O-N 3.32Å
61V93.4Very high90.6Very high82 Ų8279.8 Ų79.850%0.49749%0.49SS..Hα-helixtrans-65.5-44176.5172.90000110.3A57 T58 A59 T63 Q64 M65A57-V61 WeakPolarHBondContact O-CG2 3.38Å; A57-V61 PolarHBondContact O-N 3.34Å; T58-V61 PolarHBondContact O-N 3.19Å; A59-V61 PolarHBondContact O-N 3.38Å; V61-T63 VanDerWaalsContact C-N 3.35Å; V61-T63 PolarHBondContact O-N 3.12Å; V61-Q64 PolarHBondContact O-N 3.45Å; V61-M65 HydrophobicContact CG1-CG 4.19Å; V61-M65 WeakPolarHBondContact O-CB 3.21Å; V61-M65 VanDerWaalsContact O-CG 3.28Å; V61-M65 WeakPolarHBondContact O-CG 3.49Å; V61-M65 PolarHBondContact O-N 3.33Å
62A92.6Very high91.3Very high54 Ų5481.1 Ų81.145%0.44649%0.487SS..Hα-helixtrans-59.8-43.9177.400000111.8T58 A59 Q64 M65 A66T58-A62 WeakPolarHBondContact O-CB 3.34Å; T58-A62 PolarHBondContact O-N 3.26Å; A59-A62 PolarHBondContact O-N 3.45Å; A62-Q64 PolarHBondContact O-N 2.71Å; A62-M65 PolarHBondContact O-N 3.05Å; A62-A66 WeakPolarHBondContact O-CB 3.29Å; A62-A66 PolarHBondContact O-N 3.36Å
63T92.8Very high92Very high104 Ų10481.4 Ų81.464%0.63849%0.491SS*.Hα-helixtrans-62.1-42.5174.7-57.60000111.8A59 S60 V61 A66 G67A59-T63 PolarHBondContact O-N 3.44Å; A59-T63 PolarHBondContact O-OG1 3.01Å; S60-T63 PolarHBondContact O-N 3.12Å; V61-T63 VanDerWaalsContact C-N 3.35Å; V61-T63 PolarHBondContact O-N 3.12Å; T63-A66 PolarHBondContact O-N 3.06Å; T63-G67 PolarHBondContact O-N 2.89Å
64Q94.2Very high92.4Very high129 Ų12980.7 Ų80.760%0.60349%0.492SS*.Hα-helixtrans-63.7-44.9177.2-172.5176.742.900111.6S60 V61 A62 G67 M68S60-Q64 WeakPolarHBondContact O-CB 3.33Å; S60-Q64 PolarHBondContact O-N 3.32Å; V61-Q64 PolarHBondContact O-N 3.45Å; A62-Q64 PolarHBondContact O-N 2.71Å; Q64-G67 PolarHBondContact O-N 3.41Å; Q64-M68 HydrophobicContact CG-CE 4.38Å; Q64-M68 WeakPolarHBondContact O-CG 3.12Å; Q64-M68 PolarHBondContact O-N 3.44Å
65M93.7Very high92.8Very high80 Ų8083.3 Ų83.339%0.39450%0.495SS..Hα-helixtrans-61.6-45.3176.8-70.6-64-60.800111.3V61 A62 G67 M68 F69V61-M65 HydrophobicContact CG1-CG 4.19Å; V61-M65 WeakPolarHBondContact O-CB 3.21Å; V61-M65 VanDerWaalsContact O-CG 3.28Å; V61-M65 WeakPolarHBondContact O-CG 3.49Å; V61-M65 PolarHBondContact O-N 3.33Å; A62-M65 PolarHBondContact O-N 3.05Å; M65-G67 PolarHBondContact O-N 2.92Å; M65-M68 HydrophobicContact CE-CE 4.38Å; M65-M68 HydrophobicContact CG-CE 4.29Å; M65-M68 PolarHBondContact O-N 3.35Å; M65-M68 HydrophobicContact SD-CE 3.28Å; M65-M68 WeakPolarHBondContact SD-CE 3.44Å; M65-F69 HydrophobicContact CE-CE2 3.78Å; M65-F69 HydrophobicContact CE-CZ 4.22Å; M65-F69 WeakPolarHBondContact O-CD2 3.49Å; M65-F69 PolarHBondContact O-N 3.18Å
66A92.7Very high93.3Very high49 Ų4983.9 Ų83.941%0.40549%0.49SS..Hα-helixtrans-57.7-46.2176.700000111.8A62 T63 M68 F69 E70A62-A66 WeakPolarHBondContact O-CB 3.29Å; A62-A66 PolarHBondContact O-N 3.36Å; T63-A66 PolarHBondContact O-N 3.06Å; A66-M68 VanDerWaalsContact C-N 3.34Å; A66-M68 PolarHBondContact O-N 2.75Å; A66-F69 PolarHBondContact O-N 3.01Å; A66-E70 WeakPolarHBondContact O-CG 3.35Å; A66-E70 PolarHBondContact O-N 3.06Å
67G93Very high93.5Very high30 Ų3089.1 Ų89.131%0.30950%0.496SS..Hα-helixtrans-63-37176.900000113.6T63 Q64 M65 S71T63-G67 PolarHBondContact O-N 2.89Å; Q64-G67 PolarHBondContact O-N 3.41Å; M65-G67 PolarHBondContact O-N 2.92Å; G67-S71 WeakPolarHBondContact O-CB 3.28Å; G67-S71 PolarHBondContact O-N 3.48Å; G67-S71 PolarHBondContact O-OG 3.43Å
68M94.6Very high93.7Very high99 Ų9989.1 Ų89.149%0.48849%0.49SS..Hα-helixtrans-66.5-42.2174.3-71-171.1-64.300111.9Q64 M65 A66 S71 F72Q64-M68 HydrophobicContact CG-CE 4.38Å; Q64-M68 WeakPolarHBondContact O-CG 3.12Å; Q64-M68 PolarHBondContact O-N 3.44Å; M65-M68 HydrophobicContact CE-CE 4.38Å; M65-M68 HydrophobicContact CG-CE 4.29Å; M65-M68 PolarHBondContact O-N 3.35Å; M65-M68 HydrophobicContact SD-CE 3.28Å; M65-M68 WeakPolarHBondContact SD-CE 3.44Å; A66-M68 VanDerWaalsContact C-N 3.34Å; A66-M68 PolarHBondContact O-N 2.75Å; M68-S71 PolarHBondContact O-N 3.46Å; M68-F72 WeakPolarHBondContact O-CB 3.46Å; M68-F72 PolarHBondContact O-N 3.5Å
69F95Very high93.8Very high124 Ų12490.3 Ų90.354%0.54450%0.495SS..Hα-helixtrans-63.9-43.9175.5-79-63.9000112.1M65 A66 S71 F72 L73M65-F69 HydrophobicContact CE-CE2 3.78Å; M65-F69 HydrophobicContact CE-CZ 4.22Å; M65-F69 WeakPolarHBondContact O-CD2 3.49Å; M65-F69 PolarHBondContact O-N 3.18Å; A66-F69 PolarHBondContact O-N 3.01Å; F69-S71 VanDerWaalsContact C-N 3.31Å; F69-S71 PolarHBondContact O-N 3.36Å; F69-F72 PolarHBondContact O-N 2.87Å; F69-L73 WeakPolarHBondContact O-CB 3.46Å; F69-L73 VanDerWaalsContact O-CG 3.3Å; F69-L73 WeakPolarHBondContact O-CG 3.28Å; F69-L73 PolarHBondContact O-N 2.75Å
70E94Very high93.9Very high132 Ų13292.1 Ų92.162%0.61750%0.497SS*.Hα-helixtrans-61.3-41.1175.6-74.9-178.3176.600111.8A66 L73 T74A66-E70 WeakPolarHBondContact O-CG 3.35Å; A66-E70 PolarHBondContact O-N 3.06Å; E70-L73 PolarHBondContact O-N 3.02Å; E70-T74 VanDerWaalsContact O-CB 3.3Å; E70-T74 WeakPolarHBondContact O-CB 3.38Å; E70-T74 PolarHBondContact O-N 3.46Å; E70-T74 PolarHBondContact O-OG1 3.28Å
71S95Very high93.9Very high79 Ų7993.2 Ų93.255%0.55249%0.493SS*.Hα-helixtrans-64-45.2176.4-590000111.3G67 M68 F69 T74 Q75G67-S71 WeakPolarHBondContact O-CB 3.28Å; G67-S71 PolarHBondContact O-N 3.48Å; G67-S71 PolarHBondContact O-OG 3.43Å; M68-S71 PolarHBondContact O-N 3.46Å; F69-S71 VanDerWaalsContact C-N 3.31Å; F69-S71 PolarHBondContact O-N 3.36Å; S71-T74 PolarHBondContact O-N 2.85Å; S71-Q75 WeakPolarHBondContact O-CB 3.47Å; S71-Q75 PolarHBondContact O-N 2.88Å
72F96.1Very high93.6Very high131 Ų13195 Ų9558%0.57550%0.496SS*.Hα-helixtrans-60.9-47.4176.5174.3-98.4000112.2M68 F69 T74 Q75 L76M68-F72 WeakPolarHBondContact O-CB 3.46Å; M68-F72 PolarHBondContact O-N 3.5Å; F69-F72 PolarHBondContact O-N 2.87Å; F72-T74 VanDerWaalsContact C-N 3.31Å; F72-T74 PolarHBondContact O-N 3.27Å; F72-Q75 PolarHBondContact O-N 3.27Å; F72-L76 HydrophobicContact CE1-CD2 4.32Å; F72-L76 WeakPolarHBondContact O-CB 3.34Å; F72-L76 PolarHBondContact O-N 3.02Å
73L96.1Very high93.3Very high105 Ų10597.8 Ų97.855%0.5550%0.503SS..Hα-helixtrans-65.4-36.4178.6-70.3176.2000112F69 E70 R77F69-L73 WeakPolarHBondContact O-CB 3.46Å; F69-L73 VanDerWaalsContact O-CG 3.3Å; F69-L73 WeakPolarHBondContact O-CG 3.28Å; F69-L73 PolarHBondContact O-N 2.75Å; E70-L73 PolarHBondContact O-N 3.02Å; L73-R77 WeakPolarHBondContact O-CB 3.12Å; L73-R77 PolarHBondContact O-N 3.21Å
74T95Very high92.6Very high88 Ų88101 Ų10154%0.5451%0.508SS..Hα-helixtrans-64.1-47.6174.4-57.60000110.9E70 S71 F72 R77 T78E70-T74 VanDerWaalsContact O-CB 3.3Å; E70-T74 WeakPolarHBondContact O-CB 3.38Å; E70-T74 PolarHBondContact O-N 3.46Å; E70-T74 PolarHBondContact O-OG1 3.28Å; S71-T74 PolarHBondContact O-N 2.85Å; F72-T74 VanDerWaalsContact C-N 3.31Å; F72-T74 PolarHBondContact O-N 3.27Å; T74-R77 WeakPolarHBondContact O-CB 3.42Å; T74-R77 PolarHBondContact O-N 3.15Å; T74-T78 PolarHBondContact O-N 3.02Å; T74-T78 PolarHBondContact O-OG1 3.24Å
75Q95.2Very high91.3Very high106 Ų106101.4 Ų101.450%0.49551%0.514SS..Hα-helixtrans-60.3-47.6176.2-173.36345.700111.1S71 F72 R77 T78 D79S71-Q75 WeakPolarHBondContact O-CB 3.47Å; S71-Q75 PolarHBondContact O-N 2.88Å; F72-Q75 PolarHBondContact O-N 3.27Å; Q75-R77 VanDerWaalsContact C-N 3.25Å; Q75-R77 PolarHBondContact O-N 3.38Å; Q75-T78 WeakPolarHBondContact O-CB 3.46Å; Q75-T78 PolarHBondContact O-N 3.4Å; Q75-T78 VanDerWaalsContact O-N 3.08Å; Q75-D79 PolarHBondContact NE2-OD1 2.9Å; Q75-D79 VanDerWaalsContact O-CG 3.29Å; Q75-D79 PolarHBondContact O-N 2.86Å
76L95.7Very high89.8Confident73 Ų73102 Ų10238%0.38253%0.526SS..Hα-helixtrans-57.8-39.9177.6-177.864.5000111.6F72 L80F72-L76 HydrophobicContact CE1-CD2 4.32Å; F72-L76 WeakPolarHBondContact O-CB 3.34Å; F72-L76 PolarHBondContact O-N 3.02Å; L76-L80 HydrophobicContact CG-CD1 4.28Å; L76-L80 WeakPolarHBondContact O-CB 3.43Å; L76-L80 VanDerWaalsContact O-CG 3.23Å; L76-L80 WeakPolarHBondContact O-CG 3.44Å; L76-L80 PolarHBondContact O-N 3.49Å
77R93.2Very high88Confident173 Ų173102.2 Ų102.265%0.65353%0.532SS*.Hα-helixtrans-64.5-43.5176.2-173-178.7-175.9115.3-1.9111.7L73 T74 Q75 L80 Q81L73-R77 WeakPolarHBondContact O-CB 3.12Å; L73-R77 PolarHBondContact O-N 3.21Å; T74-R77 WeakPolarHBondContact O-CB 3.42Å; T74-R77 PolarHBondContact O-N 3.15Å; Q75-R77 VanDerWaalsContact C-N 3.25Å; Q75-R77 PolarHBondContact O-N 3.38Å; R77-L80 PolarHBondContact O-N 3.4Å; R77-Q81 WeakPolarHBondContact O-CG 3.3Å; R77-Q81 PolarHBondContact O-N 2.92Å
78T93.5Very high85.8Confident51 Ų51110.9 Ų110.931%0.31356%0.556SS.*Hα-helixtrans-61.7-49.9176-57.80000110.7T74 Q75 L80 Q81 E82T74-T78 PolarHBondContact O-N 3.02Å; T74-T78 PolarHBondContact O-OG1 3.24Å; Q75-T78 WeakPolarHBondContact O-CB 3.46Å; Q75-T78 PolarHBondContact O-N 3.4Å; Q75-T78 VanDerWaalsContact O-N 3.08Å; T78-L80 VanDerWaalsContact C-N 3.28Å; T78-L80 PolarHBondContact O-N 3.3Å; T78-Q81 WeakPolarHBondContact O-CA 3.34Å; T78-Q81 WeakPolarHBondContact O-CB 3.45Å; T78-Q81 PolarHBondContact O-N 2.91Å; T78-E82 HydrophobicContact CG2-CG 4.49Å; T78-E82 WeakPolarHBondContact O-CG 3.41Å; T78-E82 PolarHBondContact O-N 2.77Å
79D92.2Very high83.6Confident75 Ų75110.9 Ų110.940%0.40156%0.563SS.*Hα-helixtrans-58.1-40.7178.9-65.6-3.8000111.5Q75 E82 L83Q75-D79 PolarHBondContact NE2-OD1 2.9Å; Q75-D79 VanDerWaalsContact O-CG 3.29Å; Q75-D79 PolarHBondContact O-N 2.86Å; D79-E82 PolarHBondContact O-N 3.16Å; D79-L83 VanDerWaalsContact O-CB 3.3Å; D79-L83 WeakPolarHBondContact O-CB 3.23Å; D79-L83 PolarHBondContact O-N 3.41Å
80L92.6Very high81Confident92 Ų92108.2 Ų108.248%0.48257%0.571SS.*Hα-helixtrans-69.7-32.9176.2-72.2175.5000113.2L76 R77 T78 K84L76-L80 HydrophobicContact CG-CD1 4.28Å; L76-L80 WeakPolarHBondContact O-CB 3.43Å; L76-L80 VanDerWaalsContact O-CG 3.23Å; L76-L80 WeakPolarHBondContact O-CG 3.44Å; L76-L80 PolarHBondContact O-N 3.49Å; R77-L80 PolarHBondContact O-N 3.4Å; T78-L80 VanDerWaalsContact C-N 3.28Å; T78-L80 PolarHBondContact O-N 3.3Å; L80-K84 WeakPolarHBondContact O-CB 3.49Å; L80-K84 WeakPolarHBondContact O-CG 3.39Å; L80-K84 PolarHBondContact O-N 3.36Å
81Q90.7Very high78.7Confident102 Ų102108.2 Ų108.248%0.47757%0.574SS.*Hα-helixtrans-69.8-43.7173.6-76179-16.300110.9R77 T78 L83 K84 L85R77-Q81 WeakPolarHBondContact O-CG 3.3Å; R77-Q81 PolarHBondContact O-N 2.92Å; T78-Q81 WeakPolarHBondContact O-CA 3.34Å; T78-Q81 WeakPolarHBondContact O-CB 3.45Å; T78-Q81 PolarHBondContact O-N 2.91Å; Q81-L83 VanDerWaalsContact C-N 3.34Å; Q81-K84 WeakPolarHBondContact O-CB 3.3Å; Q81-K84 PolarHBondContact O-N 3.05Å; Q81-L85 VanDerWaalsContact O-CG 3.3Å; Q81-L85 WeakPolarHBondContact O-CG 3.49Å; Q81-L85 PolarHBondContact O-N 2.95Å
82E87.7Confident76.1Confident119 Ų119109.2 Ų109.256%0.55658%0.581SS**Hα-helixtrans-60.3-44.8173.2-71.3-175.5-172.800110.9T78 D79 K84 L85 S86T78-E82 HydrophobicContact CG2-CG 4.49Å; T78-E82 WeakPolarHBondContact O-CG 3.41Å; T78-E82 PolarHBondContact O-N 2.77Å; D79-E82 PolarHBondContact O-N 3.16Å; E82-K84 VanDerWaalsContact C-N 3.3Å; E82-K84 PolarHBondContact O-N 3.43Å; E82-L85 CarbonylContact O-C 3.59Å; E82-L85 PolarHBondContact O-N 3.28Å; E82-L85 VanDerWaalsContact O-N 3.08Å; E82-S86 WeakPolarHBondContact O-CB 3.44Å; E82-S86 PolarHBondContact O-N 3.2Å; E82-S86 PolarHBondContact O-OG 3.23Å; E82-S86 VanDerWaalsContact O-OG 3.1Å
83L85.8Confident73.4Confident113 Ų113108 Ų10859%0.59259%0.589SS**Hα-helixtrans-59.8-40.3176.2-173.864.6000111.9D79 Q81 S86 G87D79-L83 VanDerWaalsContact O-CB 3.3Å; D79-L83 WeakPolarHBondContact O-CB 3.23Å; D79-L83 PolarHBondContact O-N 3.41Å; Q81-L83 VanDerWaalsContact C-N 3.34Å; L83-S86 VanDerWaalsContact CA-OG 3.29Å; L83-S86 WeakPolarHBondContact CA-OG 3.29Å; L83-S86 PolarHBondContact O-OG 2.91Å; L83-G87 WeakPolarHBondContact O-CA 3.46Å; L83-G87 PolarHBondContact O-N 3.06Å
84K79.4Confident70.9Confident172 Ų172109.6 Ų109.675%0.74860%0.597SS**Hα-helixtrans-66.2-36.6174.6-81.3-180164.7-176.90112.8L80 Q81 E82 G87 R88L80-K84 WeakPolarHBondContact O-CB 3.49Å; L80-K84 WeakPolarHBondContact O-CG 3.39Å; L80-K84 PolarHBondContact O-N 3.36Å; Q81-K84 WeakPolarHBondContact O-CB 3.3Å; Q81-K84 PolarHBondContact O-N 3.05Å; E82-K84 VanDerWaalsContact C-N 3.3Å; E82-K84 PolarHBondContact O-N 3.43Å; K84-G87 CarbonylContact O-C 3.56Å; K84-G87 PolarHBondContact O-N 3.43Å; K84-R88 PolarHBondContact O-N 2.8Å
85L66Low68.2Low137 Ų137112.4 Ų112.472%0.71761%0.609SS**Hα-helixtrans-74.1-40.2177.5-68.8172.3000111.7Q81 E82 G87 R88Q81-L85 VanDerWaalsContact O-CG 3.3Å; Q81-L85 WeakPolarHBondContact O-CG 3.49Å; Q81-L85 PolarHBondContact O-N 2.95Å; E82-L85 CarbonylContact O-C 3.59Å; E82-L85 PolarHBondContact O-N 3.28Å; E82-L85 VanDerWaalsContact O-N 3.08Å; L85-G87 PolarHBondContact O-N 2.9Å; L85-R88 WeakPolarHBondContact O-CB 3.39Å; L85-R88 PolarHBondContact O-N 3.4Å
86S62.5Low65.7Low93 Ų93112.5 Ų112.565%0.6562%0.621SS**Hα-helixtrans-69.2-22.7171.562.40000112.3E82 L83 R88E82-S86 WeakPolarHBondContact O-CB 3.44Å; E82-S86 PolarHBondContact O-N 3.2Å; E82-S86 PolarHBondContact O-OG 3.23Å; E82-S86 VanDerWaalsContact O-OG 3.1Å; L83-S86 VanDerWaalsContact CA-OG 3.29Å; L83-S86 WeakPolarHBondContact CA-OG 3.29Å; L83-S86 PolarHBondContact O-OG 2.91Å; S86-R88 VanDerWaalsContact C-N 3.28Å
87G55.2Low63.2Low52 Ų52114.9 Ų114.954%0.53664%0.641SS.*THydrogen-bonded Turntrans-83.79.9172.400000114.4L83 K84 L85 P89L83-G87 WeakPolarHBondContact O-CA 3.46Å; L83-G87 PolarHBondContact O-N 3.06Å; K84-G87 CarbonylContact O-C 3.56Å; K84-G87 PolarHBondContact O-N 3.43Å; L85-G87 PolarHBondContact O-N 2.9Å; G87-P89 VanDerWaalsContact O-CD 3.31Å; G87-P89 WeakPolarHBondContact O-CD 3.48Å; G87-P89 VanDerWaalsContact O-N 3.1Å
88R46.6Very low60.8Low212 Ų212113.8 Ų113.880%0.865%0.648SS**SBendtrans-56.3119.2166.5-177.2165.5178.9164.9-2.7107.1K84 L85 S86 G90K84-R88 PolarHBondContact O-N 2.8Å; L85-R88 WeakPolarHBondContact O-CB 3.39Å; L85-R88 PolarHBondContact O-N 3.4Å; S86-R88 VanDerWaalsContact C-N 3.28Å; R88-G90 VanDerWaalsContact C-N 3.3Å; R88-G90 PolarHBondContact O-N 2.82Å
89P47.2Very low58.3Low100 Ų100119.1 Ų119.165%0.64968%0.675SS**  trans-66.798.9178.526.3-30.2000107G87 L91G87-P89 VanDerWaalsContact O-CD 3.31Å; G87-P89 WeakPolarHBondContact O-CD 3.48Å; G87-P89 VanDerWaalsContact O-N 3.1Å; P89-L91 HydrophobicContact CB-CB 4.49Å; P89-L91 PolarHBondContact O-N 3.11Å
90G41.3Very low56Low68 Ų68118.6 Ų118.670%0.70169%0.688SS**  trans-68.128.8155.100000111.8R88 S92R88-G90 VanDerWaalsContact C-N 3.3Å; R88-G90 PolarHBondContact O-N 2.82Å; G90-S92 VanDerWaalsContact C-N 3.26Å
91L45.2Very low53.4Low132 Ų132122.2 Ų122.269%0.69171%0.707SS**  trans-98.541.8165.9-63.4175.5000109.2P89P89-L91 HydrophobicContact CB-CB 4.49Å; P89-L91 PolarHBondContact O-N 3.11Å
92S40.2Very low51.3Low100 Ų100121.4 Ų121.470%0.69972%0.718SS**SBendtrans-77.9115.1145.253.50000105.9G90G90-S92 VanDerWaalsContact C-N 3.26Å
93S40.9Very low49.4Very low105 Ų105123.7 Ų123.773%0.73473%0.733SS**  trans86.267.3-177.2-157.20000114.7
94L43.5Very low47.5Very low138 Ų138123.3 Ų123.372%0.72375%0.746SS**  trans-114.792147.3-155.576.6000107.2S96L94-S96 PolarHBondContact O-N 3.2Å; L94-S96 VanDerWaalsContact O-N 3.1Å
95D38.4Very low45.8Very low148 Ų148118.7 Ų118.779%0.79175%0.747SS**  trans-48.9109.8164.4-79.6-48.4000109.5
96S42.2Very low44.9Very low108 Ų108123.5 Ų123.576%0.75576%0.756SS**  trans-117.4103.9159.6-123.90000105.8L94 N98L94-S96 PolarHBondContact O-N 3.2Å; L94-S96 VanDerWaalsContact O-N 3.1Å; S96-N98 VanDerWaalsContact C-N 3.34Å; S96-N98 PolarHBondContact O-N 3.15Å
97P42.4Very low44Very low122 Ų122127.5 Ų127.579%0.79276%0.764SS**  trans-76.691.2179.431.2-29.8000107.4
98N43.8Very low43.6Very low151 Ų151131.9 Ų131.981%0.80778%0.78SS**  trans-88.2106.3166.1-166.623.6000108S96 G100S96-N98 VanDerWaalsContact C-N 3.34Å; S96-N98 PolarHBondContact O-N 3.15Å; N98-G100 PolarHBondContact O-N 3.37Å
99N39.7Very low43.5Very low162 Ų162125.2 Ų125.287%0.86678%0.777SS**  trans-41.7110.1171.4-78-52.5000111.2
100G44.8Very low43.1Very low65 Ų65132 Ų13267%0.6779%0.79SS**  trans-179.598.4174.700000109.4N98N98-G100 PolarHBondContact O-N 3.37Å
101D38.8Very low43.2Very low168 Ų168133 Ų13390%0.89879%0.792SS**  trans35.8108.3158.3-81.5-32.8000118.2
102A45.6Very low43.1Very low85 Ų85135.7 Ų135.770%0.70280%0.801SS**  152114.2120.900000111.7
103L47Very low43.3Very low167 Ų167134.3 Ų134.387%0.87480%0.803SS**  trans58.9106.5133-63.7165.7000118.9
104A46.2Very low43.5Very low104 Ų104135.3 Ų135.386%0.8681%0.807SS**  trans74.7109.5130.300000118.8
105G44.6Very low43.6Very low75 Ų75136.6 Ų136.677%0.77381%0.814SS**  124.497.3126.200000117.6
106R46Very low44.3Very low239 Ų239134.1 Ų134.190%0.90282%0.815SS**  77.995.3129.6-159.3176.6-179.1-159.8-1.4119.1
107E45.3Very low45Very low177 Ų177135 Ų13583%0.82782%0.818SS**  trans30.4151.3131.9-70.3-162.6145.700124
108V46.5Very low45.5Very low143 Ų143138.6 Ų138.687%0.86782%0.821SS**  trans93.1124.5156.4-163.90000113.6
109G43.4Very low46.5Very low72 Ų72137.3 Ų137.374%0.74282%0.821SS**  cis173144.29.900000109.5
110R39.1Very low46.9Very low242 Ų242139.2 Ų139.291%0.91382%0.821SS**  trans-55.4140.6-179.7-173.2-176.3-165-117.94.7116.4
111A42.8Very low47Very low91 Ų91141.6 Ų141.675%0.75283%0.828SS**  trans-171.4102.7147.500000108.6
112E43.6Very low47.6Very low188 Ų188139.5 Ų139.588%0.87982%0.821SS**  75.4126.387.5-158.6163.4-169.300114.1
113G44Very low47.9Very low71 Ų71141.7 Ų141.773%0.73283%0.828SS**  trans-72.7-150.8-164.600000116.7
114P46.5Very low47.9Very low125 Ų125142.4 Ų142.481%0.81283%0.827SS**  cis-143.8178.52537.8-14.9000117.1
115D45.5Very low47.7Very low166 Ų166140.1 Ų140.189%0.88881%0.813SS**  trans16.7126.5155.6-77.7-38.6000122.2
116A53.4Low47.8Very low96 Ų96145.7 Ų145.779%0.79382%0.819SS**  trans-143.4146.9151.300000111.7
117P55.5Low47.7Very low127 Ų127143 Ų14383%0.82582%0.816SS**PPolyproline II helixtrans-96.2158.1-143.936.2-34000115.8
118K54.3Low47.8Very low196 Ų196140.5 Ų140.585%0.85281%0.814SS**PPolyproline II helixtrans-58.8132.2176.3-156.8175-169174.70112.3K120K118-K120 PolarHBondContact O-N 2.92Å
119P63.3Low47.8Very low125 Ų125138.3 Ų138.381%0.81281%0.805SS**PPolyproline II helixtrans-75.6121.4175.828.6-30000110.3
120K49.2Very low48.1Very low202 Ų202145 Ų14588%0.87881%0.809SS**PPolyproline II helixtrans-76.9125.2165.3-83.7178.2176174.70108.7K118K118-K120 PolarHBondContact O-N 2.92Å
121S45.7Very low48.7Very low114 Ų114139.9 Ų139.980%0.79780%0.798SS**PPolyproline II helixtrans-69.1129.3167.845.10000110.6
122T52.7Low49.2Very low125 Ų125142.9 Ų142.977%0.76780%0.8SS**  trans-124.5114.2160.337.10000107.5H124T122-H124 PolarHBondContact O-N 3.35Å
123P51.8Low49.2Very low131 Ų131138.1 Ų138.185%0.85179%0.787SS**  trans-80.3102.8167.130.7-24.4000106.8
124H45.6Very low49.3Very low182 Ų182141.3 Ų141.384%0.84380%0.795SS**  trans-98.2117.3168.1-155.952.4000108.3T122T122-H124 PolarHBondContact O-N 3.35Å
125G42.2Very low49Very low56 Ų56138.3 Ų138.358%0.57779%0.787SS**  trans-67.1149.2-174.200000113
126H47Very low49Very low191 Ų191136.3 Ų136.388%0.88478%0.781SS**  trans-126.7108.7143.4-110.9-85.1000107T128H126-T128 PolarHBondContact O-N 2.78Å
127E44Very low48.5Very low183 Ų183142 Ų14286%0.85579%0.787SS**  trans-65.1121.5172.4-63.2173.514100109.3
128T48.3Very low48.2Very low125 Ų125141.1 Ų141.177%0.76778%0.78SS**  trans-149.276.514244.30000107.6H126 Y130H126-T128 PolarHBondContact O-N 2.78Å; T128-Y130 PolarHBondContact O-N 3.44Å
129S46.8Very low47.8Very low97 Ų97140.8 Ų140.868%0.67878%0.781SS**  trans-77.596.5163.360.40000108.3I131S129-I131 PolarHBondContact O-N 2.98Å
130Y49.5Very low46.9Very low212 Ų212139.9 Ų139.983%0.83178%0.778SS**  trans-74.888.6158.7-90.3-87.4000107.6T128 I132T128-Y130 PolarHBondContact O-N 3.44Å; Y130-I132 PolarHBondContact O-N 3.36Å; Y130-I132 VanDerWaalsContact O-N 3.14Å
131I51.1Low46.6Very low135 Ų135136 Ų13669%0.69278%0.776SS**  trans-68.7102164.6-63.3171.1000106.1S129 S133S129-I131 PolarHBondContact O-N 2.98Å; I131-S133 PolarHBondContact O-N 3.48Å; I131-S133 VanDerWaalsContact O-N 3.15Å
132I53.6Low46.5Very low153 Ų153137.9 Ų137.979%0.78577%0.773SS**  trans-76.996.5165.8-58.3175.4000106Y130 P134Y130-I132 PolarHBondContact O-N 3.36Å; Y130-I132 VanDerWaalsContact O-N 3.14Å; I132-P134 WeakPolarHBondContact O-CD 3.49Å
133S43.8Very low45.8Very low88 Ų88137 Ų13762%0.61578%0.778SS**  trans-61.3123.1170.5-63.50000109.8I131 G135I131-S133 PolarHBondContact O-N 3.48Å; I131-S133 VanDerWaalsContact O-N 3.15Å; S133-G135 PolarHBondContact O-N 2.88Å
134P45.6Very low45.7Very low138 Ų138138.3 Ų138.390%0.89677%0.773SS**SBendtrans-79.691.6170.931.8-27.8000107I132I132-P134 WeakPolarHBondContact O-CD 3.49Å
135G39.6Very low45.4Very low62 Ų62135.5 Ų135.564%0.63977%0.774SS**  trans-172.544.6-169.800000115.4S133S133-G135 PolarHBondContact O-N 2.88Å
136V46.8Very low46.1Very low125 Ų125138.5 Ų138.576%0.75878%0.781SS**  trans-126.6103.5160.6-162.20000107.7T138V136-T138 VanDerWaalsContact C-N 3.28Å; V136-T138 PolarHBondContact O-N 2.86Å
137K42.6Very low46.7Very low214 Ų214133.1 Ų133.193%0.9377%0.769SS**  trans-66.792.3164.3-71.9179176.1-1790106.9
138T49.1Very low47.7Very low109 Ų109131.5 Ų131.567%0.66977%0.771SS**  trans-101.9102.8162.9-37.60000105.9V136 S140V136-T138 VanDerWaalsContact C-N 3.28Å; V136-T138 PolarHBondContact O-N 2.86Å; T138-S140 VanDerWaalsContact C-N 3.27Å; T138-S140 PolarHBondContact O-N 3.45Å
139E44.6Very low48.7Very low189 Ų189129.6 Ų129.688%0.88376%0.756SS**  trans-57.294.8164.7-76.6174.4121.900107.8
140S44.6Very low50Low107 Ų107132.9 Ų132.975%0.74875%0.753SS**  trans-96.890.7168.1-174.30000107.8T138 Q142T138-S140 VanDerWaalsContact C-N 3.27Å; T138-S140 PolarHBondContact O-N 3.45Å; S140-Q142 PolarHBondContact O-N 3.3Å
141S42.9Very low51.1Low119 Ų119126 Ų12683%0.83274%0.741SS**  trans-71.378.8169.3-65.60000110.1
142Q43.5Very low52.2Low155 Ų155125.1 Ų125.172%0.72474%0.737SS**  trans-155.281149.6-162.1165.20.700109.4S140 Q144S140-Q142 PolarHBondContact O-N 3.3Å; Q142-Q144 VanDerWaalsContact C-N 3.34Å; Q142-Q144 PolarHBondContact O-N 2.7Å
143A39.4Very low53.1Low107 Ų107121.9 Ų121.988%0.88472%0.719SS**  trans-6693.416700000109.4
144Q48.1Very low54.7Low158 Ų158123.8 Ų123.874%0.73871%0.713SS**  trans-104101.1145.2-81.5-173.8-1.800106.6Q142 T146Q142-Q144 VanDerWaalsContact C-N 3.34Å; Q142-Q144 PolarHBondContact O-N 2.7Å; Q144-T146 PolarHBondContact O-N 2.79Å; Q144-T146 PolarHBondContact O-OG1 2.9Å
145S40.8Very low56Low123 Ų123121.1 Ų121.186%0.8669%0.69SS**  trans-5787.4170.4174.20000109.3A147S145-A147 PolarHBondContact O-N 3.19Å
146T56Low57.7Low119 Ų119122.8 Ų122.873%0.7368%0.684SS**  trans-79113162.28.90000105.6Q144Q144-T146 PolarHBondContact O-N 2.79Å; Q144-T146 PolarHBondContact O-OG1 2.9Å
147A59.6Low58.8Low77 Ų77120.1 Ų120.164%0.63667%0.671SS**  trans-48.6147168.900000109S145 I149S145-A147 PolarHBondContact O-N 3.19Å; A147-I149 VanDerWaalsContact C-N 3.3Å; A147-I149 WeakPolarHBondContact O-CG1 3.3Å; A147-I149 PolarHBondContact O-N 3.32Å
148V64.4Low59.9Low149 Ų149113.3 Ų113.390%0.90365%0.647SS**  trans-62.395.7175.6-179.50000107.8
149I69.5Low60.8Low85 Ų85112.4 Ų112.444%0.43664%0.642SS.*  trans-72130.1176.3-65.8169.4000106.7A147 E153 W154A147-I149 VanDerWaalsContact C-N 3.3Å; A147-I149 WeakPolarHBondContact O-CG1 3.3Å; A147-I149 PolarHBondContact O-N 3.32Å; I149-E153 HydrophobicContact CG2-CB 3.48Å; I149-E153 VanDerWaalsContact CG2-CB 3.48Å; I149-W154 HydrophobicContact CG2-CB 4.14Å
150R74Confident61.7Low167 Ų167107.7 Ų107.763%0.6363%0.63SS**  trans-62.1143.2173.5-70.1-176.6-68.8-157.21.2108.7D152 E153 W154R150-D152 PolarHBondContact O-N 3.45Å; R150-E153 IonicContact CZ-OE1 3.38Å; R150-E153 IonicContact NE-OE1 3.21Å; R150-E153 PolarHBondContact NE-OE1 3.08Å; R150-E153 IonicContact NH2-OE1 2.72Å; R150-E153 PolarHBondContact NH2-OE1 3.28Å; R150-E153 WeakPolarHBondContact O-CB 3.33Å; R150-E153 PolarHBondContact O-N 2.86Å; R150-W154 PolarHBondContact O-N 3.23Å; R150-W154 VanDerWaalsContact O-N 3.12Å
151A72.4Confident62.2Low68 Ų68107.6 Ų107.656%0.56263%0.629SS**Hα-helixtrans-52.6-36.3-176.400000112.8W154 I155A151-W154 PolarHBondContact O-N 3Å; A151-I155 WeakPolarHBondContact O-CG1 3.44Å; A151-I155 PolarHBondContact O-N 3.28Å; A151-I155 VanDerWaalsContact O-N 3.08Å
152D74.2Confident62.7Low116 Ų116107 Ų10762%0.6263%0.625SS**Hα-helixtrans-61.1-45.6176.2-54.4-35000112.1R150 W154 I155 D156R150-D152 PolarHBondContact O-N 3.45Å; D152-W154 VanDerWaalsContact C-N 3.29Å; D152-W154 PolarHBondContact O-N 2.95Å; D152-I155 PolarHBondContact O-N 2.96Å; D152-D156 PolarHBondContact O-N 3.23Å
153E73.7Confident63.1Low85 Ų85108.4 Ų108.440%0.39763%0.631SS.*Hα-helixtrans-66.4-31.6178-73.7168.2-173.500112.1I149 R150 S157I149-E153 HydrophobicContact CG2-CB 3.48Å; I149-E153 VanDerWaalsContact CG2-CB 3.48Å; R150-E153 IonicContact CZ-OE1 3.38Å; R150-E153 IonicContact NE-OE1 3.21Å; R150-E153 PolarHBondContact NE-OE1 3.08Å; R150-E153 IonicContact NH2-OE1 2.72Å; R150-E153 PolarHBondContact NH2-OE1 3.28Å; R150-E153 WeakPolarHBondContact O-CB 3.33Å; R150-E153 PolarHBondContact O-N 2.86Å; E153-S157 WeakPolarHBondContact O-CB 3.44Å; E153-S157 PolarHBondContact O-N 3.46Å
154W76.6Confident63.6Low128 Ų128112.4 Ų112.449%0.48563%0.632SS.*Hα-helixtrans-66.8-45.2174178.366.8000111T58 I149 R150 A151 D152 D156 S157 V158T58-W154 HydrophobicContact CG2-CH2 3.83Å; T58-W154 HydrophobicContact CG2-CZ2 3.61Å; I149-W154 HydrophobicContact CG2-CB 4.14Å; R150-W154 PolarHBondContact O-N 3.23Å; R150-W154 VanDerWaalsContact O-N 3.12Å; A151-W154 PolarHBondContact O-N 3Å; D152-W154 VanDerWaalsContact C-N 3.29Å; D152-W154 PolarHBondContact O-N 2.95Å; W154-D156 VanDerWaalsContact C-N 3.34Å; W154-D156 PolarHBondContact O-N 3.04Å; W154-S157 PolarHBondContact O-N 3.02Å; W154-S157 PolarHBondContact O-OG 3.01Å; W154-V158 HydrophobicContact CZ2-CG1 4.42Å; W154-V158 WeakPolarHBondContact O-CG2 3.48Å; W154-V158 PolarHBondContact O-N 3.15Å; W154-V158 VanDerWaalsContact O-N 3.12Å
155I73.2Confident63.4Low82 Ų82108.2 Ų108.242%0.42163%0.63SS.*Hα-helixtrans-61.1-43.7178.1-66.1165.5000110.7A151 D152 S157 V158 T159A151-I155 WeakPolarHBondContact O-CG1 3.44Å; A151-I155 PolarHBondContact O-N 3.28Å; A151-I155 VanDerWaalsContact O-N 3.08Å; D152-I155 PolarHBondContact O-N 2.96Å; I155-S157 VanDerWaalsContact C-N 3.33Å; I155-S157 PolarHBondContact O-N 2.84Å; I155-V158 WeakPolarHBondContact O-CG2 3.31Å; I155-V158 PolarHBondContact O-N 3Å; I155-T159 HydrophobicContact CG2-CG2 4.31Å; I155-T159 WeakPolarHBondContact O-CB 3.49Å; I155-T159 WeakPolarHBondContact O-CG2 3.36Å; I155-T159 PolarHBondContact O-N 3.1Å; I155-T159 PolarHBondContact O-OG1 3.35Å
156D75.5Confident63.8Low97 Ų97108.3 Ų108.352%0.51963%0.626SS.*Hα-helixtrans-62.9-39.7176.6-73-17.3000111.7D152 W154 V158 T159 S160D152-D156 PolarHBondContact O-N 3.23Å; W154-D156 VanDerWaalsContact C-N 3.34Å; W154-D156 PolarHBondContact O-N 3.04Å; D156-V158 PolarHBondContact O-N 3.2Å; D156-T159 WeakPolarHBondContact CA-OG1 3.47Å; D156-T159 PolarHBondContact O-N 2.83Å; D156-T159 PolarHBondContact O-OG1 2.83Å; D156-S160 WeakPolarHBondContact O-CB 3.3Å; D156-S160 PolarHBondContact O-N 2.77Å; D156-S160 PolarHBondContact O-OG 3.08Å
157S69.5Low63.5Low68 Ų68108.5 Ų108.548%0.47663%0.627SS.*Hα-helixtrans-65.2-36.4178.976.80000113.4E153 W154 I155E153-S157 WeakPolarHBondContact O-CB 3.44Å; E153-S157 PolarHBondContact O-N 3.46Å; W154-S157 PolarHBondContact O-N 3.02Å; W154-S157 PolarHBondContact O-OG 3.01Å; I155-S157 VanDerWaalsContact C-N 3.33Å; I155-S157 PolarHBondContact O-N 2.84Å
158V67.1Low63.1Low71 Ų71112.1 Ų112.143%0.4364%0.636SS.*Hα-helixtrans-82.1-27.6179.8-62.10000112.5W154 I155 D156W154-V158 HydrophobicContact CZ2-CG1 4.42Å; W154-V158 WeakPolarHBondContact O-CG2 3.48Å; W154-V158 PolarHBondContact O-N 3.15Å; W154-V158 VanDerWaalsContact O-N 3.12Å; I155-V158 WeakPolarHBondContact O-CG2 3.31Å; I155-V158 PolarHBondContact O-N 3Å; D156-V158 PolarHBondContact O-N 3.2Å
159T67.8Low62.6Low91 Ų91111.3 Ų111.356%0.55863%0.631SS**Hα-helixtrans-87.5-28.7179.354.10000113.3I155 D156 S161I155-T159 HydrophobicContact CG2-CG2 4.31Å; I155-T159 WeakPolarHBondContact O-CB 3.49Å; I155-T159 WeakPolarHBondContact O-CG2 3.36Å; I155-T159 PolarHBondContact O-N 3.1Å; I155-T159 PolarHBondContact O-OG1 3.35Å; D156-T159 WeakPolarHBondContact CA-OG1 3.47Å; D156-T159 PolarHBondContact O-N 2.83Å; D156-T159 PolarHBondContact O-OG1 2.83Å; T159-S161 VanDerWaalsContact C-N 3.3Å; T159-S161 PolarHBondContact O-N 3.48Å
160S62Low61.6Low90 Ų90110.7 Ų110.763%0.62965%0.646SS**SBendtrans-79.3-7-179.1-57.40000114.2D156 S162D156-S160 WeakPolarHBondContact O-CB 3.3Å; D156-S160 PolarHBondContact O-N 2.77Å; D156-S160 PolarHBondContact O-OG 3.08Å; S160-S162 PolarHBondContact O-N 3.42Å
161S55.7Low60.1Low104 Ų104111.1 Ų111.173%0.72766%0.655SS**THydrogen-bonded Turntrans-80.926.1-173.9-165.10000114.8T159T159-S161 VanDerWaalsContact C-N 3.3Å; T159-S161 PolarHBondContact O-N 3.48Å
162S54.1Low59.3Low108 Ų108113.8 Ų113.876%0.75567%0.668SS**THydrogen-bonded Turntrans-97.60.7-177.6-173.10000115.2S160S160-S162 PolarHBondContact O-N 3.42Å
163E51.2Low58.2Low183 Ų183119.9 Ų119.986%0.85569%0.692SS**  trans-133.251-173.2-64.8-172.6132.400113.9
164Q50Low57.4Low192 Ų192121.6 Ų121.690%0.89771%0.707SS**  trans-134.464.9159.3-77.3-169.54.200110.4T166Q164-T166 PolarHBondContact O-N 2.94Å
165G45.2Very low56.4Low69 Ų69121.3 Ų121.371%0.71172%0.719SS**  trans-68.8112.4159.300000109T167G165-T167 PolarHBondContact O-N 3.43Å
166T48.1Very low55.5Low125 Ų125123.4 Ų123.477%0.76774%0.735SS**  trans-46.8103.6177.4520000113.1Q164 N168Q164-T166 PolarHBondContact O-N 2.94Å; T166-N168 VanDerWaalsContact C-N 3.27Å; T166-N168 PolarHBondContact O-N 3Å
167T49.3Very low54.3Low124 Ų124125 Ų12576%0.76175%0.748SS**  trans-86.368.2160.9440000109.6G165 T169G165-T167 PolarHBondContact O-N 3.43Å; T167-T169 PolarHBondContact O-N 2.77Å
168N51.8Low53.4Low153 Ų153128.6 Ų128.682%0.81877%0.765SS**  trans-79.375.6160.3-80.3-33.6000108.3T166 G170T166-N168 VanDerWaalsContact C-N 3.27Å; T166-N168 PolarHBondContact O-N 3Å; N168-G170 PolarHBondContact O-N 3.1Å; N168-G170 VanDerWaalsContact O-N 3.09Å
169T53.6Low52.5Low131 Ų131132.4 Ų132.480%0.80479%0.788SS**  trans-69.6100.4161.839.50000107.7T167 H171T167-T169 PolarHBondContact O-N 2.77Å; T169-H171 PolarHBondContact O-N 2.96Å
170G49.2Very low51.4Low73 Ų73135.4 Ų135.475%0.75380%0.804SS**  trans-55.5123.7170.900000110.7N168 C172N168-G170 PolarHBondContact O-N 3.1Å; N168-G170 VanDerWaalsContact O-N 3.09Å; G170-C172 PolarHBondContact O-N 3.05Å
171H42Very low50.5Low175 Ų175138.8 Ų138.881%0.8182%0.817SS**  trans-74.1105.1167.7-166.768.2000107.7T169T169-H171 PolarHBondContact O-N 2.96Å
172C56.2Low50.1Low124 Ų124141.8 Ų141.884%0.83883%0.825SS**  trans-92.1129.7162.2-74.90000108.1G170G170-C172 PolarHBondContact O-N 3.05Å
173H50.5Low49.7Very low244 Ų244144.8 Ų144.8100%1.1383%0.831SS**  trans-66.40-179.5-132.2-60.9000113.3

Retrieved 173 of 173 residues in 228.9 ms (Link to these results)