A0A077Z8U3_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z8U3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 147 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
1M46.8Very low44.5Very low252 Ų252140.3 Ų140.3100%1.24187%0.872SS**  0101.80-70-174.5-179.900106.9
2G48.9Very low44.1Very low84 Ų84137.3 Ų137.387%0.86687%0.871SS**  125.6146.7106.800000106.1
3A48.7Very low43.8Very low102 Ų102146.7 Ų146.784%0.84388%0.88SS**  cis-147.2158.516.300000109.2
4G40.2Very low43.3Very low73 Ų73141.9 Ų141.975%0.75388%0.875SS**  trans-88.6148.2169.500000111.5
5D61.2Low42.7Very low165 Ų165146.8 Ų146.888%0.88288%0.879SS**  trans-122.1110.9165.2-80.4-31.4000108.3
6N41.2Very low42.5Very low162 Ų162145.3 Ų145.387%0.86688%0.878SS**  trans-122.3132.9162.6-92.2-28.4000106
7V42.2Very low41.9Very low134 Ų134140.6 Ų140.681%0.81287%0.866SS**  trans174.5107.6138.3152.40000111.2
8T41.7Very low41.4Very low127 Ų127146.4 Ų146.478%0.77987%0.869SS**  48.1117.3128.5-21.40000121.8
9K40.7Very low41.1Very low197 Ų197143.1 Ų143.186%0.85786%0.855SS**  trans-126.4122.8155.9-81.9-175.3175.8176.80108.5
10D41.5Very low40.9Very low171 Ų171146.2 Ų146.291%0.91486%0.856SS**  trans-173.1132.5156.1-88.8-30000105.2
11G36.8Very low40.5Very low76 Ų76142.9 Ų142.978%0.78485%0.846SS**  cis166.6117.56.900000104.9
12A38.6Very low39.8Very low104 Ų104137.2 Ų137.286%0.8683%0.825SS**  trans-79.4140.9-176.800000112.1
13R41.2Very low39Very low260 Ų260137.2 Ų137.298%0.98181%0.812SS**  trans-164122.6149.8-129.5171.4168.2-166.6-4.3114.4
14G36.6Very low38.6Very low79 Ų79143.2 Ų143.281%0.81481%0.813SS**  trans107.570.5136.800000119.1
15K34.3Very low38.3Very low216 Ų216147.2 Ų147.294%0.93981%0.812SS**  trans-91.5127.5155.5-73.9-179.2177.21790110.1
16S39.4Very low37Very low122 Ų122145.6 Ų145.685%0.85380%0.803SS**  trans-172.1111156171.70000105.6
17G32.4Very low36.7Very low66 Ų66143.8 Ų143.868%0.6880%0.803SS**  cis105107.330.300000109.6
18R32.9Very low36.8Very low245 Ų245143 Ų14393%0.92580%0.804SS**  trans81.1133.6148.6-167.1172.3167.8160.3-4.9115.9
19S35Very low36.7Very low84 Ų84142.4 Ų142.459%0.58781%0.805SS**  cis175.1163.2-3.746.20000109
20K36.8Very low36.5Very low204 Ų204139.1 Ų139.189%0.88781%0.806SS**  trans66.5145.2154.5-80.8-177.9162.4174.80117.1
21A33.9Very low36.5Very low77 Ų77135.9 Ų135.964%0.63680%0.798SS**  cis178.5171.3-10.500000108.1
22V32.1Very low36.2Very low133 Ų133135.9 Ų135.981%0.80680%0.797SS**  trans82.9109.2146.7-169.70000118.8
23S32.1Very low36Very low85 Ų85133.7 Ų133.759%0.59479%0.785SS**  67.6123.6129.2-163.60000120.9
24R38.9Very low35.8Very low228 Ų228128 Ų12886%0.8677%0.769SS**  177.3106110.5-93166.4165.1-168.7-6.2107.5
25Q34.3Very low35.8Very low157 Ų157132.3 Ų132.373%0.73477%0.772SS**  56.1102.295.3-89.5-175.6-34.800113.3
26D33.9Very low36.1Very low130 Ų130126.9 Ų126.970%0.69575%0.746SS**  trans61.686.3132.1-52.6-26.4000118.1S28D26-S28 PolarHBondContact O-N 3.41Å
27S35.5Very low36.4Very low125 Ų125129.6 Ų129.687%0.87475%0.746SS**  18.595.8111.8-45.60000116.7
28S44Very low37.2Very low118 Ų118127.1 Ų127.183%0.82572%0.72SS**  trans-157.972148.468.90000111.9D26D26-S28 PolarHBondContact O-N 3.41Å
29S38.8Very low37.9Very low114 Ų114121.8 Ų121.880%0.79771%0.705SS**  trans-133.290.3152.166.30000108.5S31S29-S31 PolarHBondContact O-N 3.41Å; S29-S31 VanDerWaalsContact O-N 3.12Å
30S37.8Very low38.6Very low127 Ų127124.3 Ų124.389%0.88871%0.706SS**  trans-6097.2161.6163.50000109.2
31S40.3Very low39.2Very low104 Ų104121 Ų12173%0.72769%0.692SS**  trans-108.9112.3147.559.20000105.7S29 G33S29-S31 PolarHBondContact O-N 3.41Å; S29-S31 VanDerWaalsContact O-N 3.12Å; S31-G33 PolarHBondContact O-N 2.79Å
32G31.9Very low39.6Very low75 Ų75125 Ų12577%0.77369%0.69SS**  trans-63.479.4178.900000111.3E34G32-E34 PolarHBondContact O-N 2.95Å; G32-E34 VanDerWaalsContact O-N 3.12Å
33G34.1Very low40.6Very low59 Ų59122.1 Ų122.161%0.60867%0.67SS**  trans-62.7111.3167.700000107.5S31 I35S31-G33 PolarHBondContact O-N 2.79Å; G33-I35 PolarHBondContact O-N 2.91Å
34E36.5Very low41.3Very low139 Ų139126 Ų12665%0.6568%0.678SS**  trans-53111.5170.4-68.2169.2165.400107.8G32 Y36G32-E34 PolarHBondContact O-N 2.95Å; G32-E34 VanDerWaalsContact O-N 3.12Å; E34-Y36 VanDerWaalsContact C-N 3.34Å; E34-Y36 HydrophobicContact CB-CD2 4.27Å; E34-Y36 HydrophobicContact CB-CE2 3.71Å; E34-Y36 VanDerWaalsContact O-CD2 3.23Å; E34-Y36 WeakPolarHBondContact O-CD2 3.44Å; E34-Y36 PolarHBondContact O-N 2.87Å; E34-Y36 PolarHBondContact OE2-OH 3.29Å
35I37.4Very low42.1Very low170 Ų170118.8 Ų118.887%0.87268%0.675SS**  trans-74.795.4177.4-53.9174.7000105.7G33 E37G33-I35 PolarHBondContact O-N 2.91Å; I35-E37 PolarHBondContact O-N 2.94Å
36Y41Very low42.5Very low102 Ų102115.8 Ų115.840%0.466%0.661SS.*  trans-70.2114.6174.6-71.5-83.8000109.2E34 G38 Y51 F62E34-Y36 VanDerWaalsContact C-N 3.34Å; E34-Y36 HydrophobicContact CB-CD2 4.27Å; E34-Y36 HydrophobicContact CB-CE2 3.71Å; E34-Y36 VanDerWaalsContact O-CD2 3.23Å; E34-Y36 WeakPolarHBondContact O-CD2 3.44Å; E34-Y36 PolarHBondContact O-N 2.87Å; E34-Y36 PolarHBondContact OE2-OH 3.29Å; Y36-G38 PolarHBondContact O-N 3.38Å; Y36-Y51 WeakPolarHBondContact CB-OH 3.21Å; Y36-Y51 PolarHBondContact O-OH 3.21Å; Y36-F62 AromaticContact CD1-CE2 3.84Å; Y36-F62 HydrophobicContact CD1-CE2 3.84Å; Y36-F62 AromaticContact CD1-CZ 3.85Å; Y36-F62 HydrophobicContact CD1-CZ 3.85Å; Y36-F62 HydrophobicContact CD2-CE2 4.08Å; Y36-F62 AromaticContact CD2-CZ 3.66Å; Y36-F62 HydrophobicContact CD2-CZ 3.66Å; Y36-F62 HydrophobicContact CE1-CD2 4.32Å; Y36-F62 AromaticContact CE1-CE2 3.24Å; Y36-F62 HydrophobicContact CE1-CE2 3.24Å; Y36-F62 AromaticContact CE1-CZ 3.72Å; Y36-F62 HydrophobicContact CE1-CZ 3.72Å; Y36-F62 HydrophobicContact CE2-CD2 4.35Å; Y36-F62 HydrophobicContact CE2-CE1 4.44Å; Y36-F62 AromaticContact CE2-CE2 3.51Å; Y36-F62 HydrophobicContact CE2-CE2 3.51Å; Y36-F62 AromaticContact CE2-CZ 3.52Å; Y36-F62 HydrophobicContact CE2-CZ 3.52Å; Y36-F62 HydrophobicContact CG-CE2 4.23Å; Y36-F62 AromaticContact CG-CZ 3.83Å; Y36-F62 HydrophobicContact CG-CZ 3.83Å; Y36-F62 AromaticContact CZ-CD2 3.87Å; Y36-F62 AromaticContact CZ-CE2 3.05Å; Y36-F62 AromaticContact CZ-CZ 3.56Å; Y36-F62 VanDerWaalsContact OH-CE2 3.25Å; Y36-F62 WeakPolarHBondContact OH-CE2 3.25Å
37E44.7Very low43.7Very low180 Ų180119.4 Ų119.484%0.84167%0.671SS**  trans-72.473.8170.6-165.1174.8-157.200108.9I35I35-E37 PolarHBondContact O-N 2.94Å
38G48.6Very low44.5Very low13 Ų13119.3 Ų119.313%0.13466%0.661CS.*  trans-88.5135.5173.300000111.8Y36 F40 Y51Y36-G38 PolarHBondContact O-N 3.38Å; G38-F40 PolarHBondContact O-N 3.47Å; G38-Y51 VanDerWaalsContact CA-CZ 3.43Å; G38-Y51 WeakPolarHBondContact CA-OH 3.38Å; G38-Y51 PolarHBondContact N-OH 3.45Å; G38-Y51 VanDerWaalsContact N-OH 3.08Å
39H49.4Very low44.7Very low133 Ų133120.6 Ų120.662%0.61665%0.652SS**  trans-74.3114.9168.5-58-61.3000109.2K41 N53H39-K41 PolarHBondContact O-N 3.49Å; H39-N53 PolarHBondContact CD2-ND2 2.93Å; H39-N53 PolarHBondContact N-ND2 3.2Å
40F49.3Very low45.2Very low138 Ų138120.1 Ų120.161%0.60564%0.635SS**EExtended strand (participates in β ladder)trans-71.8114.1161.1-66.8-85.5000107.5G38 F49 Y51G38-F40 PolarHBondContact O-N 3.47Å; F40-F49 HydrophobicContact CD1-CB 4.3Å; F40-Y51 HydrophobicContact CE1-CD2 4.01Å; F40-Y51 HydrophobicContact CZ-CD2 4.04Å; F40-Y51 HydrophobicContact CZ-CE2 4.4Å
41K49.1Very low45.7Very low135 Ų135117.5 Ų117.559%0.58761%0.606SS**EExtended strand (participates in β ladder)trans-95.8117.5167-170.1178.8178-178.40107.2H39 I43 I52H39-K41 PolarHBondContact O-N 3.49Å; K41-I43 PolarHBondContact O-N 2.92Å; K41-I52 HydrophobicContact CB-CD1 3.47Å; K41-I52 VanDerWaalsContact CB-CD1 3.47Å; K41-I52 HydrophobicContact CB-CG1 4.21Å; K41-I52 HydrophobicContact CD-CD1 3.93Å; K41-I52 HydrophobicContact CG-CD1 4.27Å
42W41.7Very low46.3Very low160 Ų160116.5 Ų116.561%0.60659%0.592SS**  trans-69119.7166.1-170.868.3000108E44W42-E44 HydrophobicContact CE3-CB 4.19Å; W42-E44 HydrophobicContact CH2-CB 3.98Å; W42-E44 HydrophobicContact CH2-CG 3.73Å; W42-E44 HydrophobicContact CZ3-CB 3.64Å; W42-E44 HydrophobicContact CZ3-CG 3.75Å
43I53.5Low47Very low73 Ų73116.1 Ų116.137%0.37457%0.572SS.*  trans-96.2114170.1-57.8176.7000105.9K41 G45 E46 F50K41-I43 PolarHBondContact O-N 2.92Å; I43-G45 PolarHBondContact O-N 3.34Å; I43-E46 PolarHBondContact O-N 2.89Å; I43-F50 HydrophobicContact CD1-CD2 4.43Å
44E46Very low47.6Very low165 Ų165115.8 Ų115.877%0.77156%0.561SS**THydrogen-bonded Turntrans-58.5120.9178.4-171.6166.9-145.400109.9W42W42-E44 HydrophobicContact CE3-CB 4.19Å; W42-E44 HydrophobicContact CH2-CB 3.98Å; W42-E44 HydrophobicContact CH2-CG 3.73Å; W42-E44 HydrophobicContact CZ3-CB 3.64Å; W42-E44 HydrophobicContact CZ3-CG 3.75Å
45G55.8Low48.2Very low78 Ų78112.5 Ų112.580%0.80455%0.551SS**THydrogen-bonded Turntrans106.7-13.1179.200000116.1I43I43-G45 PolarHBondContact O-N 3.34Å
46E44.2Very low49Very low93 Ų93110.9 Ų110.944%0.43555%0.552SS.*  trans-98138.4173.2-72.3-178.114700111.1I43 D48 F50I43-E46 PolarHBondContact O-N 2.89Å; E46-D48 VanDerWaalsContact C-N 3.25Å; E46-D48 PolarHBondContact O-N 2.98Å; E46-F50 HydrophobicContact CB-CE2 4.4Å; E46-F50 WeakPolarHBondContact OE2-CD2 3.33Å; E46-F50 WeakPolarHBondContact OE2-CE2 3.41Å
47K58.4Low49.3Very low206 Ų206117.2 Ų117.290%0.89658%0.575SS**SBendtrans-76.7-11.6-179-73.6-175.6177.6-179.60113.5
48D51.5Low49.4Very low124 Ų124110.8 Ų110.866%0.66356%0.558SS**SBendtrans-125.9146.8-172-64-39.2000112E46E46-D48 VanDerWaalsContact C-N 3.25Å; E46-D48 PolarHBondContact O-N 2.98Å
49F49.6Very low49.5Very low145 Ų145114.1 Ų114.164%0.63658%0.579SS**  trans-82.6125.3-179.4-68.9-92.4000111.2F40F40-F49 HydrophobicContact CD1-CB 4.3Å
50F48.9Very low49.7Very low104 Ų104114.8 Ų114.846%0.45659%0.587SS.*EExtended strand (participates in β ladder)trans-94.8126.4170.8-67.6-87.1000110.7I43 E46 I52I43-F50 HydrophobicContact CD1-CD2 4.43Å; E46-F50 HydrophobicContact CB-CE2 4.4Å; E46-F50 WeakPolarHBondContact OE2-CD2 3.33Å; E46-F50 WeakPolarHBondContact OE2-CE2 3.41Å; F50-I52 HydrophobicContact CB-CG1 4.49Å; F50-I52 PolarHBondContact O-N 3.39Å
51Y48.4Very low49.9Very low71 Ų71111.1 Ų111.128%0.27858%0.582SS.*EExtended strand (participates in β ladder)trans-80.8107.8172.7-169.6-93.6000109.2Y36 G38 F40 N53Y36-Y51 WeakPolarHBondContact CB-OH 3.21Å; Y36-Y51 PolarHBondContact O-OH 3.21Å; G38-Y51 VanDerWaalsContact CA-CZ 3.43Å; G38-Y51 WeakPolarHBondContact CA-OH 3.38Å; G38-Y51 PolarHBondContact N-OH 3.45Å; G38-Y51 VanDerWaalsContact N-OH 3.08Å; F40-Y51 HydrophobicContact CE1-CD2 4.01Å; F40-Y51 HydrophobicContact CZ-CD2 4.04Å; F40-Y51 HydrophobicContact CZ-CE2 4.4Å; Y51-N53 HydrophobicContact CE1-CB 4.27Å
52I52.4Low50Low83 Ų83106.3 Ų106.343%0.42656%0.561SS.*THydrogen-bonded Turntrans-89.1-10.1-168.4-58.2-162.1000113.4K41 F50K41-I52 HydrophobicContact CB-CD1 3.47Å; K41-I52 VanDerWaalsContact CB-CD1 3.47Å; K41-I52 HydrophobicContact CB-CG1 4.21Å; K41-I52 HydrophobicContact CD-CD1 3.93Å; K41-I52 HydrophobicContact CG-CD1 4.27Å; F50-I52 HydrophobicContact CB-CG1 4.49Å; F50-I52 PolarHBondContact O-N 3.39Å
53N46.9Very low50.5Low68 Ų68102.3 Ų102.336%0.36456%0.562SS.*THydrogen-bonded Turntrans-103.435.4-179.4-76.7-1.5000114.1H39 Y51H39-N53 PolarHBondContact CD2-ND2 2.93Å; H39-N53 PolarHBondContact N-ND2 3.2Å; Y51-N53 HydrophobicContact CE1-CB 4.27Å
54S46.8Very low50.8Low52 Ų52104.2 Ų104.236%0.36458%0.578SS.*SBendtrans-79.4126.3160.746.40000109
55P48.4Very low51.2Low69 Ų69101 Ų10145%0.44857%0.569SS.*  trans-50.7139.9173.9-24.232000110.5R57P55-R57 CarbonylContact O-C 3.52Å; P55-R57 PolarHBondContact O-N 3.47Å
56P54.2Low51.2Low137 Ų137104.7 Ų104.789%0.8956%0.559SS**SBendtrans-61.5-7.4-165.217-29.2000116.1
57R46.8Very low51.9Low234 Ų234105.2 Ų105.288%0.88357%0.571SS**SBendtrans-147.2112.7160.8-68.2-173.3-180-170.6-1.3105.9P55 S59P55-R57 CarbonylContact O-C 3.52Å; P55-R57 PolarHBondContact O-N 3.47Å; R57-S59 PolarHBondContact O-N 3.39Å
58G47.7Very low52Low46 Ų46103.2 Ų103.247%0.47457%0.57SS.*  trans-57128.9175.900000109.2
59S50.3Low52.2Low83 Ų83105.7 Ų105.758%0.5857%0.574SS**  trans-53.3142.8155.951.50000107.7R57 A61 F62R57-S59 PolarHBondContact O-N 3.39Å; S59-A61 PolarHBondContact O-N 3.2Å; S59-F62 WeakPolarHBondContact O-CB 3.44Å; S59-F62 PolarHBondContact O-N 2.93Å
60D53.7Low52.7Low146 Ų146105.9 Ų105.978%0.78158%0.581SS**Hα-helixtrans-46-27.9-178.1-82.1-30.7000114.4F62 T64D60-F62 VanDerWaalsContact C-N 3.32Å; D60-F62 PolarHBondContact O-N 3.44Å; D60-T64 PolarHBondContact O-N 3.02Å; D60-T64 PolarHBondContact O-OG1 3.45Å
61A53.7Low53.1Low62 Ų62104.6 Ų104.651%0.51259%0.59SS.*Hα-helixtrans-58.8-34.8173.300000114.4S59 T64 T65S59-A61 PolarHBondContact O-N 3.2Å; A61-T64 PolarHBondContact O-OG1 3.01Å; A61-T65 WeakPolarHBondContact O-CB 3.5Å; A61-T65 PolarHBondContact O-N 2.89Å; A61-T65 PolarHBondContact O-OG1 3.15Å
62F50.3Low53.1Low33 Ų33109 Ų10915%0.14561%0.613CS.*Hα-helixtrans-80.3-34.9-174.9-143.6-72.3000112.6Y36 S59 D60 T64 R66Y36-F62 AromaticContact CD1-CE2 3.84Å; Y36-F62 HydrophobicContact CD1-CE2 3.84Å; Y36-F62 AromaticContact CD1-CZ 3.85Å; Y36-F62 HydrophobicContact CD1-CZ 3.85Å; Y36-F62 HydrophobicContact CD2-CE2 4.08Å; Y36-F62 AromaticContact CD2-CZ 3.66Å; Y36-F62 HydrophobicContact CD2-CZ 3.66Å; Y36-F62 HydrophobicContact CE1-CD2 4.32Å; Y36-F62 AromaticContact CE1-CE2 3.24Å; Y36-F62 HydrophobicContact CE1-CE2 3.24Å; Y36-F62 AromaticContact CE1-CZ 3.72Å; Y36-F62 HydrophobicContact CE1-CZ 3.72Å; Y36-F62 HydrophobicContact CE2-CD2 4.35Å; Y36-F62 HydrophobicContact CE2-CE1 4.44Å; Y36-F62 AromaticContact CE2-CE2 3.51Å; Y36-F62 HydrophobicContact CE2-CE2 3.51Å; Y36-F62 AromaticContact CE2-CZ 3.52Å; Y36-F62 HydrophobicContact CE2-CZ 3.52Å; Y36-F62 HydrophobicContact CG-CE2 4.23Å; Y36-F62 AromaticContact CG-CZ 3.83Å; Y36-F62 HydrophobicContact CG-CZ 3.83Å; Y36-F62 AromaticContact CZ-CD2 3.87Å; Y36-F62 AromaticContact CZ-CE2 3.05Å; Y36-F62 AromaticContact CZ-CZ 3.56Å; Y36-F62 VanDerWaalsContact OH-CE2 3.25Å; Y36-F62 WeakPolarHBondContact OH-CE2 3.25Å; S59-F62 WeakPolarHBondContact O-CB 3.44Å; S59-F62 PolarHBondContact O-N 2.93Å; D60-F62 VanDerWaalsContact C-N 3.32Å; D60-F62 PolarHBondContact O-N 3.44Å; F62-T64 VanDerWaalsContact C-N 3.28Å; F62-R66 PolarHBondContact O-N 2.95Å
63A54.1Low52.9Low76 Ų76111.8 Ų111.863%0.62863%0.628SS**Hα-helixtrans-68.3-32.6175.600000111.3
64T58.4Low53.2Low114 Ų114111.2 Ų111.270%0.69964%0.638SS**Hα-helixtrans-84.3-21-179.8470000114D60 A61 F62D60-T64 PolarHBondContact O-N 3.02Å; D60-T64 PolarHBondContact O-OG1 3.45Å; A61-T64 PolarHBondContact O-OG1 3.01Å; F62-T64 VanDerWaalsContact C-N 3.28Å
65T55.7Low53.5Low97 Ų97116.9 Ų116.960%0.59565%0.653SS**Hα-helixtrans-102.44.1179.247.90000114.3A61 P67A61-T65 WeakPolarHBondContact O-CB 3.5Å; A61-T65 PolarHBondContact O-N 2.89Å; A61-T65 PolarHBondContact O-OG1 3.15Å; T65-P67 VanDerWaalsContact O-CD 3.31Å; T65-P67 WeakPolarHBondContact O-CD 3.37Å
66R54.9Low53.7Low156 Ų156118.5 Ų118.559%0.58967%0.666SS**  trans-57.8123.8172.6-102.3-175.2174.1-173.9-1.1109.4F62 D68F62-R66 PolarHBondContact O-N 2.95Å; R66-D68 PolarHBondContact O-N 3.49Å; R66-D68 VanDerWaalsContact O-N 3.08Å
67P59.1Low53.7Low104 Ų104114.8 Ų114.868%0.67564%0.642SS**  trans-65.3112.6169.6-12.525.7000108.4T65 K69T65-P67 VanDerWaalsContact O-CD 3.31Å; T65-P67 WeakPolarHBondContact O-CD 3.37Å; P67-K69 PolarHBondContact O-N 3.33Å; P67-K69 VanDerWaalsContact O-N 3.09Å
68D60.2Low54.5Low164 Ų164106.6 Ų106.688%0.87762%0.619SS**SBendtrans-62.5-15.5177-70.6-28.5000113.1R66R66-D68 PolarHBondContact O-N 3.49Å; R66-D68 VanDerWaalsContact O-N 3.08Å
69K55.7Low55.3Low175 Ų175111.7 Ų111.776%0.76163%0.631SS**SBendtrans-116.3126.9176.8-63.2-177.9-177.3177.90108.3P67 A71P67-K69 PolarHBondContact O-N 3.33Å; P67-K69 VanDerWaalsContact O-N 3.09Å; K69-A71 VanDerWaalsContact C-N 3.32Å; K69-A71 PolarHBondContact O-N 3.03Å
70L59.3Low55.9Low149 Ų149114.6 Ų114.678%0.7864%0.635SS**  trans-5098.4165.1-69.4161.9000107.9H72L70-H72 PolarHBondContact O-N 3.33Å
71A57.5Low56.7Low77 Ų77115.4 Ų115.464%0.63663%0.627SS**THydrogen-bonded Turntrans-64.5-9.1-18000000112K69K69-A71 VanDerWaalsContact C-N 3.32Å; K69-A71 PolarHBondContact O-N 3.03Å
72H49Very low57.5Low164 Ų164118.3 Ų118.376%0.75963%0.628SS**THydrogen-bonded Turntrans-128.564.5-178.2-46.2-54.9000109.1L70 G74L70-H72 PolarHBondContact O-N 3.33Å; H72-G74 PolarHBondContact O-N 3.24Å
73N48.6Very low58.8Low141 Ų141122.1 Ų122.175%0.75465%0.647SS**  trans-60.876.4134-73.9-14.9000105.5Y75N73-Y75 PolarHBondContact O-N 2.84Å
74G51.9Low60Low56 Ų56122.5 Ų122.558%0.57764%0.637SS**  trans-50.9120175.300000105H72 S76H72-G74 PolarHBondContact O-N 3.24Å; G74-S76 PolarHBondContact O-N 3.47Å
75Y53.3Low60.9Low172 Ų172120 Ų12068%0.67562%0.624SS**  trans-61.789.1177.2-179.7-95.2000106.6N73 P77 P78N73-Y75 PolarHBondContact O-N 2.84Å; Y75-P77 HydrophobicContact CE1-CB 4.42Å; Y75-P77 VanDerWaalsContact O-CD 3.25Å; Y75-P77 WeakPolarHBondContact O-CD 3.48Å; Y75-P77 VanDerWaalsContact O-N 3.15Å; Y75-P78 WeakPolarHBondContact OH-CD 3.43Å
76S53.2Low62.1Low103 Ų103118.1 Ų118.172%0.7261%0.61SS**  trans-58116.5159.6-73.30000104.2G74G74-S76 PolarHBondContact O-N 3.47Å
77P54.5Low63.6Low58 Ų58115.4 Ų115.438%0.37760%0.604SS.*  trans-53148.2174.4-19.330.3000108.2Y75 E79 R81Y75-P77 HydrophobicContact CE1-CB 4.42Å; Y75-P77 VanDerWaalsContact O-CD 3.25Å; Y75-P77 WeakPolarHBondContact O-CD 3.48Å; Y75-P77 VanDerWaalsContact O-N 3.15Å; P77-E79 PolarHBondContact O-N 3.28Å; P77-R81 HydrophobicContact CB-CB 4.04Å
78P63.6Low64.8Low63 Ų63119.1 Ų119.141%0.40961%0.605SS.*  trans-44.7134.4171.5-2531000109.4Y75 E80 R81 F82Y75-P78 WeakPolarHBondContact OH-CD 3.43Å; P78-E80 PolarHBondContact O-N 3.43Å; P78-R81 WeakPolarHBondContact O-CA 3.35Å; P78-R81 WeakPolarHBondContact O-CB 3.43Å; P78-R81 PolarHBondContact O-N 3.29Å; P78-F82 PolarHBondContact O-N 2.83Å
79E64.9Low66Low152 Ų152117 Ų11771%0.7159%0.59SS**Hα-helixtrans-43.9-42.1-170.9-168167.8-156.900112.6P77 R81 F82 E83P77-E79 PolarHBondContact O-N 3.28Å; E79-R81 PolarHBondContact O-N 2.98Å; E79-F82 WeakPolarHBondContact O-CB 3.47Å; E79-F82 PolarHBondContact O-N 3.28Å; E79-E83 WeakPolarHBondContact O-CG 3.36Å; E79-E83 PolarHBondContact O-N 2.97Å
80E62.9Low67.4Low144 Ų144114 Ų11467%0.67358%0.577SS**Hα-helixtrans-57.1-40.5175.9-167.9177.6-15900114P78 I84P78-E80 PolarHBondContact O-N 3.43Å; E80-I84 HydrophobicContact CG-CD1 4.3Å; E80-I84 WeakPolarHBondContact O-CD1 3.26Å; E80-I84 WeakPolarHBondContact O-CG1 3.22Å; E80-I84 PolarHBondContact O-N 3.06Å; E80-I84 VanDerWaalsContact O-N 3.08Å
81R69.9Low68.8Low164 Ų164110.9 Ų110.962%0.61956%0.561SS**Hα-helixtrans-71.7-35.2175.8-67.3-169.9179.1-171.2-1.2111.9P77 P78 E79 C85P77-R81 HydrophobicContact CB-CB 4.04Å; P78-R81 WeakPolarHBondContact O-CA 3.35Å; P78-R81 WeakPolarHBondContact O-CB 3.43Å; P78-R81 PolarHBondContact O-N 3.29Å; E79-R81 PolarHBondContact O-N 2.98Å; R81-C85 VanDerWaalsContact O-CB 3.22Å; R81-C85 WeakPolarHBondContact O-CB 3.47Å; R81-C85 PolarHBondContact O-N 3.3Å
82F70.8Confident70.1Confident122 Ų122114.1 Ų114.154%0.53556%0.56SS.*Hα-helixtrans-66.2-45176.5179.4-98.8000110.6P78 E79 C85 N86P78-F82 PolarHBondContact O-N 2.83Å; E79-F82 WeakPolarHBondContact O-CB 3.47Å; E79-F82 PolarHBondContact O-N 3.28Å; F82-C85 PolarHBondContact O-N 3.32Å; F82-N86 VanDerWaalsContact O-CB 3.26Å; F82-N86 WeakPolarHBondContact O-CB 3.42Å; F82-N86 PolarHBondContact O-N 2.76Å
83E77.4Confident71.8Confident114 Ų114111.3 Ų111.353%0.53355%0.55SS.*Hα-helixtrans-60.3-47.8176-71.7178174.700112.2E79 C85 N86 Q87E79-E83 WeakPolarHBondContact O-CG 3.36Å; E79-E83 PolarHBondContact O-N 2.97Å; E83-C85 VanDerWaalsContact C-N 3.33Å; E83-C85 PolarHBondContact O-N 3.08Å; E83-N86 PolarHBondContact O-N 2.89Å; E83-Q87 WeakPolarHBondContact O-CB 3.43Å; E83-Q87 PolarHBondContact O-N 3.26Å
84I78.4Confident73.5Confident84 Ų84109.3 Ų109.343%0.43154%0.539SS..Hα-helixtrans-61.4-42.7176.6-67.6165.3000111E80 Q87 R88E80-I84 HydrophobicContact CG-CD1 4.3Å; E80-I84 WeakPolarHBondContact O-CD1 3.26Å; E80-I84 WeakPolarHBondContact O-CG1 3.22Å; E80-I84 PolarHBondContact O-N 3.06Å; E80-I84 VanDerWaalsContact O-N 3.08Å; I84-Q87 PolarHBondContact O-N 3.49Å; I84-R88 WeakPolarHBondContact O-CG 3.46Å; I84-R88 PolarHBondContact O-N 3.21Å
85C79.1Confident74.9Confident62 Ų62109.2 Ų109.242%0.41953%0.533SS..Hα-helixtrans-62.6-46177.7-170.60000111.1R81 F82 E83 R88 Q89R81-C85 VanDerWaalsContact O-CB 3.22Å; R81-C85 WeakPolarHBondContact O-CB 3.47Å; R81-C85 PolarHBondContact O-N 3.3Å; F82-C85 PolarHBondContact O-N 3.32Å; E83-C85 VanDerWaalsContact C-N 3.33Å; E83-C85 PolarHBondContact O-N 3.08Å; C85-R88 PolarHBondContact O-N 2.88Å; C85-Q89 WeakPolarHBondContact O-CG 3.2Å; C85-Q89 PolarHBondContact O-N 2.91Å
86N80.4Confident76.2Confident57 Ų57104.7 Ų104.731%0.30552%0.52SS..Hα-helixtrans-63.5-42.7179.1-166.79.8000111.2F82 E83 R88 Q89 K90F82-N86 VanDerWaalsContact O-CB 3.26Å; F82-N86 WeakPolarHBondContact O-CB 3.42Å; F82-N86 PolarHBondContact O-N 2.76Å; E83-N86 PolarHBondContact O-N 2.89Å; N86-R88 PolarHBondContact O-N 3.43Å; N86-Q89 PolarHBondContact O-N 2.99Å; N86-K90 WeakPolarHBondContact O-CG 3.4Å; N86-K90 PolarHBondContact O-N 3.45Å
87Q85.5Confident77.4Confident99 Ų99104.5 Ų104.546%0.46351%0.511SS..Hα-helixtrans-61.1-46.9176-170.959.634.200111.5E83 I84 Q89 K90 D91E83-Q87 WeakPolarHBondContact O-CB 3.43Å; E83-Q87 PolarHBondContact O-N 3.26Å; I84-Q87 PolarHBondContact O-N 3.49Å; Q87-Q89 VanDerWaalsContact C-N 3.29Å; Q87-Q89 PolarHBondContact O-N 3.24Å; Q87-K90 WeakPolarHBondContact O-CB 3.48Å; Q87-K90 PolarHBondContact O-N 2.97Å; Q87-K90 VanDerWaalsContact O-N 3.15Å; Q87-D91 PolarHBondContact NE2-OD1 3.09Å; Q87-D91 VanDerWaalsContact O-CG 3.23Å; Q87-D91 PolarHBondContact O-N 2.97Å
88R85.7Confident78.4Confident181 Ų181109.2 Ų109.268%0.68353%0.529SS*.Hα-helixtrans-60.3-37.7176-72.7175.9-180-1750.5112.8I84 C85 N86 K92I84-R88 WeakPolarHBondContact O-CG 3.46Å; I84-R88 PolarHBondContact O-N 3.21Å; C85-R88 PolarHBondContact O-N 2.88Å; N86-R88 PolarHBondContact O-N 3.43Å; R88-K92 WeakPolarHBondContact O-CB 3.02Å; R88-K92 PolarHBondContact O-N 2.86Å
89Q83.5Confident79.1Confident121 Ų121114 Ų11457%0.56555%0.546SS*.Hα-helixtrans-66.7-41.3176.2-74.5178.1-6.400111.7C85 N86 Q87 K92 L93C85-Q89 WeakPolarHBondContact O-CG 3.2Å; C85-Q89 PolarHBondContact O-N 2.91Å; N86-Q89 PolarHBondContact O-N 2.99Å; Q87-Q89 VanDerWaalsContact C-N 3.29Å; Q87-Q89 PolarHBondContact O-N 3.24Å; Q89-K92 PolarHBondContact O-N 2.91Å; Q89-L93 WeakPolarHBondContact O-CB 3.33Å; Q89-L93 PolarHBondContact O-N 2.69Å
90K85.3Confident79.4Confident112 Ų112109 Ų10949%0.48753%0.527SS..Hα-helixtrans-62.9-46174.6-71174.9-176.4178.20111.7N86 Q87 K92 L93 L94N86-K90 WeakPolarHBondContact O-CG 3.4Å; N86-K90 PolarHBondContact O-N 3.45Å; Q87-K90 WeakPolarHBondContact O-CB 3.48Å; Q87-K90 PolarHBondContact O-N 2.97Å; Q87-K90 VanDerWaalsContact O-N 3.15Å; K90-K92 VanDerWaalsContact C-N 3.32Å; K90-K92 PolarHBondContact O-N 2.89Å; K90-L93 WeakPolarHBondContact O-CB 3.43Å; K90-L93 PolarHBondContact O-N 3.02Å; K90-L94 PolarHBondContact O-N 2.78Å
91D88.6Confident80Confident83 Ų83106.2 Ų106.244%0.44452%0.516SS..Hα-helixtrans-62.4-41.7178.8-63.1-18.3000111Q87 L94 A95Q87-D91 PolarHBondContact NE2-OD1 3.09Å; Q87-D91 VanDerWaalsContact O-CG 3.23Å; Q87-D91 PolarHBondContact O-N 2.97Å; D91-L94 PolarHBondContact O-N 3.12Å; D91-A95 WeakPolarHBondContact O-CB 3.32Å; D91-A95 PolarHBondContact O-N 3.47Å
92K86.5Confident80.1Confident144 Ų144103.5 Ų103.563%0.62651%0.513SS*.Hα-helixtrans-63.1-42.4174.6-173.8178.3-178.3-178.90112.2R88 Q89 K90 L94 A95 N96R88-K92 WeakPolarHBondContact O-CB 3.02Å; R88-K92 PolarHBondContact O-N 2.86Å; Q89-K92 PolarHBondContact O-N 2.91Å; K90-K92 VanDerWaalsContact C-N 3.32Å; K90-K92 PolarHBondContact O-N 2.89Å; K92-L94 VanDerWaalsContact C-N 3.34Å; K92-A95 PolarHBondContact O-N 3.21Å; K92-N96 WeakPolarHBondContact O-CB 3.25Å; K92-N96 VanDerWaalsContact O-CG 3.26Å; K92-N96 PolarHBondContact O-N 2.92Å; K92-N96 PolarHBondContact O-OD1 2.88Å
93L84.7Confident80.3Confident105 Ų105105 Ų10555%0.5552%0.522SS..Hα-helixtrans-62.2-44.2176.4179.465.1000110.9Q89 K90 N96 L97Q89-L93 WeakPolarHBondContact O-CB 3.33Å; Q89-L93 PolarHBondContact O-N 2.69Å; K90-L93 WeakPolarHBondContact O-CB 3.43Å; K90-L93 PolarHBondContact O-N 3.02Å; L93-N96 PolarHBondContact O-N 3.48Å; L93-L97 HydrophobicContact CG-CD1 4.17Å; L93-L97 WeakPolarHBondContact O-CG 3.23Å; L93-L97 PolarHBondContact O-N 3.38Å
94L83.4Confident80.5Confident100 Ų100104.8 Ų104.852%0.52452%0.52SS..Hα-helixtrans-64.9-43.8179.1-173.964.4000111.8K90 D91 K92 N96 L97 M98K90-L94 PolarHBondContact O-N 2.78Å; D91-L94 PolarHBondContact O-N 3.12Å; K92-L94 VanDerWaalsContact C-N 3.34Å; L94-N96 VanDerWaalsContact C-N 3.35Å; L94-N96 PolarHBondContact O-N 2.89Å; L94-L97 PolarHBondContact O-N 3.47Å; L94-M98 WeakPolarHBondContact O-CG 3.48Å; L94-M98 PolarHBondContact O-N 2.91Å
95A82.2Confident80.5Confident54 Ų54104.2 Ų104.245%0.44652%0.516SS..Hα-helixtrans-59-46.1175.400000111.6D91 K92 L97 M98 E99D91-A95 WeakPolarHBondContact O-CB 3.32Å; D91-A95 PolarHBondContact O-N 3.47Å; K92-A95 PolarHBondContact O-N 3.21Å; A95-L97 VanDerWaalsContact C-N 3.35Å; A95-L97 PolarHBondContact O-N 2.87Å; A95-M98 PolarHBondContact O-N 3.35Å; A95-E99 WeakPolarHBondContact O-CB 3.41Å; A95-E99 PolarHBondContact O-N 2.62Å
96N80.3Confident80.5Confident76 Ų76104 Ų10441%0.40651%0.513SS..Hα-helixtrans-60.8-43.3175.1-71.7-4.5000111.4K92 L93 L94 M98 E99 T100K92-N96 WeakPolarHBondContact O-CB 3.25Å; K92-N96 VanDerWaalsContact O-CG 3.26Å; K92-N96 PolarHBondContact O-N 2.92Å; K92-N96 PolarHBondContact O-OD1 2.88Å; L93-N96 PolarHBondContact O-N 3.48Å; L94-N96 VanDerWaalsContact C-N 3.35Å; L94-N96 PolarHBondContact O-N 2.89Å; N96-M98 VanDerWaalsContact C-N 3.28Å; N96-M98 PolarHBondContact O-N 3.43Å; N96-E99 PolarHBondContact O-N 2.95Å; N96-T100 VanDerWaalsContact O-CB 3.25Å; N96-T100 WeakPolarHBondContact O-CB 3.11Å; N96-T100 PolarHBondContact O-N 3.25Å; N96-T100 PolarHBondContact O-OG1 2.87Å
97L77.2Confident80.6Confident99 Ų99105.9 Ų105.952%0.51853%0.526SS..Hα-helixtrans-64.3-32177.8-74170.6000113L93 L94 A95L93-L97 HydrophobicContact CG-CD1 4.17Å; L93-L97 WeakPolarHBondContact O-CG 3.23Å; L93-L97 PolarHBondContact O-N 3.38Å; L94-L97 PolarHBondContact O-N 3.47Å; A95-L97 VanDerWaalsContact C-N 3.35Å; A95-L97 PolarHBondContact O-N 2.87Å
98M76.6Confident80.6Confident157 Ų157106.1 Ų106.177%0.77353%0.527SS*.Hα-helixtrans-75.8-35.6175-70.8-177.967.600112.7L94 A95 N96L94-M98 WeakPolarHBondContact O-CG 3.48Å; L94-M98 PolarHBondContact O-N 2.91Å; A95-M98 PolarHBondContact O-N 3.35Å; N96-M98 VanDerWaalsContact C-N 3.28Å; N96-M98 PolarHBondContact O-N 3.43Å
99E78.1Confident80.7Confident163 Ų163103.2 Ų103.276%0.76252%0.52SS*.Hα-helixtrans-77.6-33.8178.2-173.6173.3-163.400111.9A95 N96 N101A95-E99 WeakPolarHBondContact O-CB 3.41Å; A95-E99 PolarHBondContact O-N 2.62Å; N96-E99 PolarHBondContact O-N 2.95Å; E99-N101 PolarHBondContact O-N 3.5Å
100T71.3Confident80.8Confident49 Ų49106.1 Ų106.130%0.30153%0.525SS..SBendtrans-64.2104.4174.4-65.40000109N96 I102 E105N96-T100 VanDerWaalsContact O-CB 3.25Å; N96-T100 WeakPolarHBondContact O-CB 3.11Å; N96-T100 PolarHBondContact O-N 3.25Å; N96-T100 PolarHBondContact O-OG1 2.87Å; T100-I102 VanDerWaalsContact C-N 3.26Å; T100-I102 HydrophobicContact CG2-CG1 4.36Å; T100-I102 PolarHBondContact O-N 3Å; T100-E105 HydrophobicContact CG2-CB 4.2Å; T100-E105 WeakPolarHBondContact CG2-OE2 3.37Å
101N74.6Confident81Confident84 Ų84106.8 Ų106.845%0.44953%0.53SS..  trans-65.993.2160.8-176.1-5.2000108E99 E103 E104 E105E99-N101 PolarHBondContact O-N 3.5Å; N101-E103 PolarHBondContact O-N 2.79Å; N101-E103 VanDerWaalsContact O-N 3.09Å; N101-E103 WeakPolarHBondContact OD1-CB 3.39Å; N101-E103 PolarHBondContact OD1-N 3.33Å; N101-E104 HydrophobicContact CB-CB 3.94Å; N101-E104 PolarHBondContact O-N 3.12Å; N101-E104 PolarHBondContact OD1-N 3.37Å; N101-E105 PolarHBondContact O-N 2.88Å
102I73.3Confident81.1Confident108 Ų108108.9 Ų108.955%0.55454%0.537SS*.Hα-helixtrans-52-36.4-177.7-63.8173.1000110.3T100 V106T100-I102 VanDerWaalsContact C-N 3.26Å; T100-I102 HydrophobicContact CG2-CG1 4.36Å; T100-I102 PolarHBondContact O-N 3Å; I102-V106 HydrophobicContact CG2-CG2 4.09Å; I102-V106 VanDerWaalsContact O-CB 3.23Å; I102-V106 WeakPolarHBondContact O-CB 3.46Å; I102-V106 WeakPolarHBondContact O-CG2 3.4Å; I102-V106 PolarHBondContact O-N 3.41Å
103E74.7Confident81.3Confident153 Ų153107.3 Ų107.372%0.71554%0.535SS*.Hα-helixtrans-65.4-44.9178.8-58.9-173.3166.900111.7N101 V106 V107N101-E103 PolarHBondContact O-N 2.79Å; N101-E103 VanDerWaalsContact O-N 3.09Å; N101-E103 WeakPolarHBondContact OD1-CB 3.39Å; N101-E103 PolarHBondContact OD1-N 3.33Å; E103-V106 PolarHBondContact O-N 3.09Å; E103-V107 WeakPolarHBondContact O-CB 3.39Å; E103-V107 WeakPolarHBondContact O-CG2 3.3Å; E103-V107 PolarHBondContact O-N 2.73Å
104E80.6Confident81.4Confident109 Ų109108.1 Ų108.151%0.50953%0.534SS..Hα-helixtrans-65.1-45.5177.3-171.1176.7176.300111.5N101 V106 V107 Q108N101-E104 HydrophobicContact CB-CB 3.94Å; N101-E104 PolarHBondContact O-N 3.12Å; N101-E104 PolarHBondContact OD1-N 3.37Å; E104-V106 VanDerWaalsContact C-N 3.34Å; E104-V106 PolarHBondContact O-N 2.94Å; E104-V107 PolarHBondContact O-N 3.49Å; E104-Q108 WeakPolarHBondContact O-CG 3.44Å; E104-Q108 PolarHBondContact O-N 3.03Å; E104-Q108 PolarHBondContact OE1-NE2 3.18Å
105E79.6Confident81.7Confident73 Ų73110.6 Ų110.634%0.34154%0.541SS..Hα-helixtrans-62.4-42.2178.1-164.8-167.515900111.2T100 N101 Q108 K109T100-E105 HydrophobicContact CG2-CB 4.2Å; T100-E105 WeakPolarHBondContact CG2-OE2 3.37Å; N101-E105 PolarHBondContact O-N 2.88Å; E105-Q108 PolarHBondContact O-N 3.19Å; E105-K109 HydrophobicContact CG-CD 4.33Å; E105-K109 WeakPolarHBondContact O-CB 3.49Å; E105-K109 WeakPolarHBondContact O-CG 3.34Å; E105-K109 PolarHBondContact O-N 2.84Å; E105-K109 WeakPolarHBondContact OE1-CE 3.15Å; E105-K109 IonicContact OE1-NZ 2.62Å; E105-K109 PolarHBondContact OE1-NZ 3.23Å
106V79.3Confident82Confident58 Ų58113.2 Ų113.235%0.35254%0.543SS..Hα-helixtrans-64-41.6176.1168.50000110.9I102 E103 E104 K109 R110I102-V106 HydrophobicContact CG2-CG2 4.09Å; I102-V106 VanDerWaalsContact O-CB 3.23Å; I102-V106 WeakPolarHBondContact O-CB 3.46Å; I102-V106 WeakPolarHBondContact O-CG2 3.4Å; I102-V106 PolarHBondContact O-N 3.41Å; E103-V106 PolarHBondContact O-N 3.09Å; E104-V106 VanDerWaalsContact C-N 3.34Å; E104-V106 PolarHBondContact O-N 2.94Å; V106-K109 PolarHBondContact O-N 2.84Å; V106-R110 HydrophobicContact CG1-CG 4.3Å; V106-R110 VanDerWaalsContact O-CB 3.3Å; V106-R110 WeakPolarHBondContact O-CB 3.23Å; V106-R110 VanDerWaalsContact O-CG 3.23Å; V106-R110 WeakPolarHBondContact O-CG 3.43Å; V106-R110 PolarHBondContact O-N 2.81Å
107V82.1Confident82.2Confident96 Ų96112.6 Ų112.658%0.58254%0.542SS*.Hα-helixtrans-62.8-44.7176168.40000110.9E103 E104 R110 H111E103-V107 WeakPolarHBondContact O-CB 3.39Å; E103-V107 WeakPolarHBondContact O-CG2 3.3Å; E103-V107 PolarHBondContact O-N 2.73Å; E104-V107 PolarHBondContact O-N 3.49Å; V107-R110 PolarHBondContact O-N 3.22Å; V107-H111 WeakPolarHBondContact O-CB 3.23Å; V107-H111 PolarHBondContact O-N 2.98Å
108Q85.7Confident82.5Confident103 Ų103115.2 Ų115.248%0.48155%0.545SS..Hα-helixtrans-62.4-47.7176.9-70.9179.910.600111.6E104 E105 R110 H111 Q112E104-Q108 WeakPolarHBondContact O-CG 3.44Å; E104-Q108 PolarHBondContact O-N 3.03Å; E104-Q108 PolarHBondContact OE1-NE2 3.18Å; E105-Q108 PolarHBondContact O-N 3.19Å; Q108-R110 PolarHBondContact O-N 3.15Å; Q108-H111 WeakPolarHBondContact O-CB 3.31Å; Q108-H111 PolarHBondContact O-N 3.08Å; Q108-Q112 WeakPolarHBondContact O-CG 3.32Å; Q108-Q112 PolarHBondContact O-N 3.44Å
109K87.4Confident82.9Confident121 Ų121110.4 Ų110.453%0.52653%0.53SS..Hα-helixtrans-62.7-41.7177.3-78.2179.1169170.10112.3E105 V106 H111 Q112 L113E105-K109 HydrophobicContact CG-CD 4.33Å; E105-K109 WeakPolarHBondContact O-CB 3.49Å; E105-K109 WeakPolarHBondContact O-CG 3.34Å; E105-K109 PolarHBondContact O-N 2.84Å; E105-K109 WeakPolarHBondContact OE1-CE 3.15Å; E105-K109 IonicContact OE1-NZ 2.62Å; E105-K109 PolarHBondContact OE1-NZ 3.23Å; V106-K109 PolarHBondContact O-N 2.84Å; K109-H111 VanDerWaalsContact C-N 3.33Å; K109-H111 PolarHBondContact O-N 2.6Å; K109-Q112 PolarHBondContact O-N 2.95Å; K109-L113 WeakPolarHBondContact O-CB 3.35Å; K109-L113 PolarHBondContact O-N 3.06Å
110R85.1Confident83.1Confident181 Ų181106 Ų10668%0.68351%0.511SS*.Hα-helixtrans-62-40.9174.1-77.1177.8-179.3-164.42.7111.7V106 V107 Q108 L113 K114V106-R110 HydrophobicContact CG1-CG 4.3Å; V106-R110 VanDerWaalsContact O-CB 3.3Å; V106-R110 WeakPolarHBondContact O-CB 3.23Å; V106-R110 VanDerWaalsContact O-CG 3.23Å; V106-R110 WeakPolarHBondContact O-CG 3.43Å; V106-R110 PolarHBondContact O-N 2.81Å; V107-R110 PolarHBondContact O-N 3.22Å; Q108-R110 PolarHBondContact O-N 3.15Å; R110-L113 PolarHBondContact O-N 2.86Å; R110-K114 WeakPolarHBondContact O-CB 3.37Å; R110-K114 PolarHBondContact O-N 3.01Å
111H89.5Confident83.6Confident127 Ų127107.6 Ų107.659%0.58852%0.518SS*.Hα-helixtrans-64.4-46.1176.6-175.786000111.8V107 Q108 K109 L113 K114 K115V107-H111 WeakPolarHBondContact O-CB 3.23Å; V107-H111 PolarHBondContact O-N 2.98Å; Q108-H111 WeakPolarHBondContact O-CB 3.31Å; Q108-H111 PolarHBondContact O-N 3.08Å; K109-H111 VanDerWaalsContact C-N 3.33Å; K109-H111 PolarHBondContact O-N 2.6Å; H111-L113 PolarHBondContact O-N 3.33Å; H111-K114 PolarHBondContact O-N 2.62Å; H111-K115 PolarHBondContact O-N 3.2Å
112Q90.8Very high83.8Confident126 Ų126108.6 Ų108.659%0.58952%0.518SS*.Hα-helixtrans-60.5-45.1175.8-72.4176.9-6.100111.8Q108 K109 K114 K115 H116Q108-Q112 WeakPolarHBondContact O-CG 3.32Å; Q108-Q112 PolarHBondContact O-N 3.44Å; K109-Q112 PolarHBondContact O-N 2.95Å; Q112-K114 VanDerWaalsContact C-N 3.34Å; Q112-K114 PolarHBondContact O-N 3.39Å; Q112-K115 WeakPolarHBondContact O-CB 3.3Å; Q112-K115 PolarHBondContact O-N 2.87Å; Q112-H116 PolarHBondContact O-N 3.47Å
113L90.3Very high84Confident112 Ų112113.3 Ų113.359%0.58653%0.529SS*.Hα-helixtrans-60.5-43.6175.8-176.463.3000111.3K109 R110 H111 K115 H116 V117K109-L113 WeakPolarHBondContact O-CB 3.35Å; K109-L113 PolarHBondContact O-N 3.06Å; R110-L113 PolarHBondContact O-N 2.86Å; H111-L113 PolarHBondContact O-N 3.33Å; L113-K115 VanDerWaalsContact C-N 3.32Å; L113-K115 PolarHBondContact O-N 3.4Å; L113-H116 PolarHBondContact O-N 3.27Å; L113-V117 HydrophobicContact CD1-CG2 4.4Å; L113-V117 HydrophobicContact CG-CG2 4.46Å; L113-V117 WeakPolarHBondContact O-CG2 3.48Å; L113-V117 PolarHBondContact O-N 3.35Å
114K88.3Confident84Confident122 Ų122111.7 Ų111.753%0.5353%0.525SS..Hα-helixtrans-61.3-39.7176-171176.9-175.9176.50112R110 H111 Q112 R118R110-K114 WeakPolarHBondContact O-CB 3.37Å; R110-K114 PolarHBondContact O-N 3.01Å; H111-K114 PolarHBondContact O-N 2.62Å; Q112-K114 VanDerWaalsContact C-N 3.34Å; Q112-K114 PolarHBondContact O-N 3.39Å; K114-R118 WeakPolarHBondContact O-CB 3.39Å; K114-R118 VanDerWaalsContact O-CG 3.32Å; K114-R118 WeakPolarHBondContact O-CG 3.47Å; K114-R118 PolarHBondContact O-N 3.49Å
115K89.3Confident83.4Confident152 Ų152112.2 Ų112.266%0.66153%0.532SS*.Hα-helixtrans-63.9-43.6173.9-172.5-178.6179.4-178.50111.1H111 Q112 L113 R118 A119H111-K115 PolarHBondContact O-N 3.2Å; Q112-K115 WeakPolarHBondContact O-CB 3.3Å; Q112-K115 PolarHBondContact O-N 2.87Å; L113-K115 VanDerWaalsContact C-N 3.32Å; L113-K115 PolarHBondContact O-N 3.4Å; K115-R118 PolarHBondContact O-N 3.05Å; K115-A119 PolarHBondContact O-N 3.01Å
116H88.1Confident82.7Confident109 Ų109111.7 Ų111.751%0.50555%0.546SS..Hα-helixtrans-64.4-46.6178.4-171.2-91.1000112.1Q112 L113 R118 A119 L120Q112-H116 PolarHBondContact O-N 3.47Å; L113-H116 PolarHBondContact O-N 3.27Å; H116-R118 VanDerWaalsContact C-N 3.3Å; H116-R118 PolarHBondContact O-N 2.88Å; H116-A119 WeakPolarHBondContact O-CB 3.14Å; H116-A119 PolarHBondContact O-N 3.06Å; H116-L120 PolarHBondContact O-N 3.02Å
117V83.8Confident81.5Confident62 Ų62112.9 Ų112.938%0.37655%0.553SS.*Hα-helixtrans-60.2-40.9175.3171.50000111L113 A119 L120 N121L113-V117 HydrophobicContact CD1-CG2 4.4Å; L113-V117 HydrophobicContact CG-CG2 4.46Å; L113-V117 WeakPolarHBondContact O-CG2 3.48Å; L113-V117 PolarHBondContact O-N 3.35Å; V117-A119 VanDerWaalsContact C-N 3.33Å; V117-A119 PolarHBondContact O-N 3.36Å; V117-L120 PolarHBondContact O-N 2.94Å; V117-N121 WeakPolarHBondContact O-CB 3.46Å; V117-N121 PolarHBondContact O-N 3.49Å; V117-N121 PolarHBondContact O-OD1 2.82Å
118R84.7Confident80.1Confident155 Ų155117 Ų11759%0.58557%0.566SS**Hα-helixtrans-61.3-41.3172.8-76.6175.8178.9-176.4-3112.2K114 K115 H116 N121 K122K114-R118 WeakPolarHBondContact O-CB 3.39Å; K114-R118 VanDerWaalsContact O-CG 3.32Å; K114-R118 WeakPolarHBondContact O-CG 3.47Å; K114-R118 PolarHBondContact O-N 3.49Å; K115-R118 PolarHBondContact O-N 3.05Å; H116-R118 VanDerWaalsContact C-N 3.3Å; H116-R118 PolarHBondContact O-N 2.88Å; R118-N121 PolarHBondContact O-N 3.37Å; R118-K122 WeakPolarHBondContact O-CB 3.49Å; R118-K122 VanDerWaalsContact O-CG 3.3Å; R118-K122 WeakPolarHBondContact O-CG 3.3Å; R118-K122 PolarHBondContact O-N 3.37Å
119A83.7Confident78.4Confident55 Ų55115.7 Ų115.746%0.45557%0.565SS.*Hα-helixtrans-65.4-43178.100000111.9K115 H116 V117 K122 R123K115-A119 PolarHBondContact O-N 3.01Å; H116-A119 WeakPolarHBondContact O-CB 3.14Å; H116-A119 PolarHBondContact O-N 3.06Å; V117-A119 VanDerWaalsContact C-N 3.33Å; V117-A119 PolarHBondContact O-N 3.36Å; A119-K122 PolarHBondContact O-N 3.31Å; A119-R123 PolarHBondContact O-N 3.34Å
120L83Confident76.4Confident71 Ų71117 Ų11737%0.37258%0.578SS.*Hα-helixtrans-62.2-48.6173.7-70.7179.1000111.5H116 V117 K122 R123 D124H116-L120 PolarHBondContact O-N 3.02Å; V117-L120 PolarHBondContact O-N 2.94Å; L120-K122 VanDerWaalsContact C-N 3.26Å; L120-K122 PolarHBondContact O-N 3.08Å; L120-R123 CarbonylContact O-C 3.58Å; L120-R123 WeakPolarHBondContact O-CA 3.07Å; L120-R123 WeakPolarHBondContact O-CB 3.25Å; L120-R123 PolarHBondContact O-N 3.21Å; L120-D124 PolarHBondContact O-N 3.44Å
121N81.9Confident74.6Confident82 Ų82116.6 Ų116.644%0.43958%0.584SS.*Hα-helixtrans-61.9-34.1178.2-70.8-6.6000112.5V117 R118 N125V117-N121 WeakPolarHBondContact O-CB 3.46Å; V117-N121 PolarHBondContact O-N 3.49Å; V117-N121 PolarHBondContact O-OD1 2.82Å; R118-N121 PolarHBondContact O-N 3.37Å; N121-N125 VanDerWaalsContact O-CB 3.3Å; N121-N125 WeakPolarHBondContact O-CB 2.98Å; N121-N125 PolarHBondContact O-N 2.88Å; N121-N125 PolarHBondContact O-ND2 3.38Å
122K79.4Confident72.3Confident106 Ų106120.7 Ų120.746%0.46159%0.594SS.*Hα-helixtrans-66.2-43.3173.2-77.7-178.9175.4-1540111.5R118 A119 L120 G126 V127 T129R118-K122 WeakPolarHBondContact O-CB 3.49Å; R118-K122 VanDerWaalsContact O-CG 3.3Å; R118-K122 WeakPolarHBondContact O-CG 3.3Å; R118-K122 PolarHBondContact O-N 3.37Å; A119-K122 PolarHBondContact O-N 3.31Å; L120-K122 VanDerWaalsContact C-N 3.26Å; L120-K122 PolarHBondContact O-N 3.08Å; K122-G126 PolarHBondContact O-N 3.02Å; K122-V127 PolarHBondContact O-N 2.83Å; K122-T129 WeakPolarHBondContact CE-OG1 3.35Å; K122-T129 PolarHBondContact NZ-OG1 3.3Å
123R76.2Confident70.1Confident207 Ų207120.3 Ų120.378%0.78160%0.601SS**Hα-helixtrans-62-43.2175.7178.9-179.3164.3160.5-1.9111.6A119 L120 G126A119-R123 PolarHBondContact O-N 3.34Å; L120-R123 CarbonylContact O-C 3.58Å; L120-R123 WeakPolarHBondContact O-CA 3.07Å; L120-R123 WeakPolarHBondContact O-CB 3.25Å; L120-R123 PolarHBondContact O-N 3.21Å; R123-G126 PolarHBondContact O-N 2.79Å
124D76Confident67.7Low118 Ų118121.1 Ų121.163%0.63161%0.606SS**Hα-helixtrans-74-33.4-177.2-67.6-15.6000112.5L120 G126L120-D124 PolarHBondContact O-N 3.44Å; D124-G126 VanDerWaalsContact C-N 3.33Å
125N67.5Low65.6Low121 Ų121120.3 Ų120.365%0.64762%0.615SS**THydrogen-bonded Turntrans-87.32.4177.8-67.3-57.3000113.7N121 V127N121-N125 VanDerWaalsContact O-CB 3.3Å; N121-N125 WeakPolarHBondContact O-CB 2.98Å; N121-N125 PolarHBondContact O-N 2.88Å; N121-N125 PolarHBondContact O-ND2 3.38Å; N125-V127 HydrophobicContact CB-CG2 4.15Å; N125-V127 PolarHBondContact O-N 3.4Å
126G63.6Low63.3Low62 Ų62120.6 Ų120.664%0.63962%0.624SS**THydrogen-bonded Turntrans6017178.800000114.6K122 R123 D124 E128K122-G126 PolarHBondContact O-N 3.02Å; R123-G126 PolarHBondContact O-N 2.79Å; D124-G126 VanDerWaalsContact C-N 3.33Å; G126-E128 PolarHBondContact O-N 2.78Å
127V55.4Low61.1Low82 Ų82124.4 Ų124.450%0.49764%0.642SS.*  trans-82.590.1178.7-177.30000107.4K122 N125 T129K122-V127 PolarHBondContact O-N 2.83Å; N125-V127 HydrophobicContact CB-CG2 4.15Å; N125-V127 PolarHBondContact O-N 3.4Å; V127-T129 HydrophobicContact CG1-CG2 3.92Å; V127-T129 PolarHBondContact O-N 3.02Å
128E53Low59.1Low182 Ų182126.8 Ų126.885%0.8566%0.661SS**  trans-56.791.1155.4-71-164.9168.200107.1G126 D130G126-E128 PolarHBondContact O-N 2.78Å; E128-D130 VanDerWaalsContact C-N 3.32Å; E128-D130 PolarHBondContact O-N 3.22Å
129T49.2Very low57.3Low77 Ų77124.5 Ų124.547%0.47267%0.669SS.*  trans-8396.616318.80000104.8K122 V127 E131K122-T129 WeakPolarHBondContact CE-OG1 3.35Å; K122-T129 PolarHBondContact NZ-OG1 3.3Å; V127-T129 HydrophobicContact CG1-CG2 3.92Å; V127-T129 PolarHBondContact O-N 3.02Å; T129-E131 PolarHBondContact O-N 3.48Å
130D45.8Very low55.5Low149 Ų149132.7 Ų132.780%0.79769%0.688SS**  trans-37.6130.1157.3-89.9-32.1000109E128 R132E128-D130 VanDerWaalsContact C-N 3.32Å; E128-D130 PolarHBondContact O-N 3.22Å; D130-R132 PolarHBondContact O-N 3.33Å
131E47.1Very low53.5Low172 Ų172139.5 Ų139.580%0.80471%0.709SS**  trans-42.8128.5177.1-73.3-172.7126.300112T129T129-E131 PolarHBondContact O-N 3.48Å
132R41.1Very low51.7Low212 Ų212139.4 Ų139.480%0.872%0.715SS**  trans-139.295.7143.6-73.1-161173.4-179.8-2.4110.1D130 D134D130-R132 PolarHBondContact O-N 3.33Å; R132-D134 PolarHBondContact O-N 3.22Å
133T44.4Very low49.9Very low119 Ų119141.5 Ų141.573%0.7373%0.73SS**  trans-61.566.5155.7-2.40000108.6S135T133-S135 VanDerWaalsContact C-N 3.26Å; T133-S135 PolarHBondContact O-N 3.39Å
134D40.3Very low48.5Very low129 Ų129136.5 Ų136.569%0.6973%0.727SS**  trans-76.591.4171.3-71.7-23.2000107.4R132 D136R132-D134 PolarHBondContact O-N 3.22Å; D134-D136 PolarHBondContact O-N 2.84Å
135S45.1Very low46.8Very low104 Ų104136.2 Ų136.273%0.72773%0.729SS**  trans-56.6114.9163.7-58.40000107.7T133T133-S135 VanDerWaalsContact C-N 3.26Å; T133-S135 PolarHBondContact O-N 3.39Å
136D40.5Very low45.7Very low159 Ų159137.1 Ų137.185%0.8573%0.734SS**  trans-141.7102.3161.9-107.9-22.7000111D134 S138D134-D136 PolarHBondContact O-N 2.84Å; D136-S138 PolarHBondContact O-N 3.28Å
137H42Very low45.2Very low188 Ų188143.8 Ų143.887%0.8777%0.766SS**  trans-53.4122.8160.2-68.6-78.6000109.6
138S41.8Very low44.6Very low112 Ų112146.9 Ų146.978%0.78378%0.779SS**  trans-144.682.6154.9-156.90000110.8D136D136-S138 PolarHBondContact O-N 3.28Å
139S47.5Very low44.2Very low108 Ų108145 Ų14576%0.75578%0.776SS**  trans-47.7127.6150.41730000110.4
140R44Very low43.9Very low226 Ų226148.8 Ų148.885%0.85379%0.792SS**  trans-171.1101.8148.5-102.6154.9177-138.2-2.7107.2
141R43Very low43.8Very low215 Ų215148.8 Ų148.881%0.81179%0.792SS**  49.510874.4-140-164.8175.7-163.9-2.1106.8
142S43.8Very low43.6Very low80 Ų80147.3 Ų147.356%0.55979%0.791SS**  173.8137.175.4-75.80000106.2
143L40.3Very low43.8Very low149 Ų149143 Ų14378%0.7879%0.791SS**  65.1133.3108.5-50.7171.2000111.4
144S48.3Very low43.7Very low103 Ų103144.7 Ų144.772%0.7280%0.795SS**  145.5145.982.699.10000102.3
145V39Very low44Very low112 Ų112145.9 Ų145.968%0.67980%0.803SS**  cis-172.114812.7129.60000104.7
146N45.5Very low43.9Very low140 Ų140149.4 Ų149.475%0.74981%0.81SS**  trans3.4165.3145.7-44.2-26.2000119.7
147P51.5Low44.2Very low201 Ų201148.5 Ų148.5100%1.30581%0.806SS**  cis-117.30-3.131.4-13.3000114.5

Retrieved 147 of 147 residues in 31.9 ms (Link to these results)