A0A5K4F0N7_SCHMA Loading...

Protocadherin-11 Y-linked

AlphaFold DB , UniProt , Accession A0A5K4F0N7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 224 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
1M34.1Very low39.8Very low245 Ų245176.7 Ų176.7100%1.20783%0.831SS**  0120.60-70-179-163.500107.7
2N38.5Very low39.7Very low127 Ų127174.8 Ų174.868%0.67982%0.821SS**  trans-96.6110.5-166.5-172.310.7000109.9Q4N2-Q4 WeakPolarHBondContact OD1-CG 3.48Å
3N40.5Very low39.9Very low157 Ų157172.9 Ų172.984%0.8482%0.818SS**  trans-116.865.6175.5-88.3-25.2000109.3R5N3-R5 VanDerWaalsContact C-N 3.27Å; N3-R5 PolarHBondContact O-N 3.41Å
4Q41.2Very low40.1Very low142 Ų142172.1 Ų172.166%0.66482%0.82SS**  trans-73.386165.4-78.3175-12.800108.3N2 H6N2-Q4 WeakPolarHBondContact OD1-CG 3.48Å; Q4-H6 PolarHBondContact O-N 2.86Å
5R39.5Very low40.2Very low236 Ų236173.1 Ų173.189%0.89182%0.824SS**  trans-65.1101.4164.4-90.1-179.7162.7173.6-4.5107.2N3 M7N3-R5 VanDerWaalsContact C-N 3.27Å; N3-R5 PolarHBondContact O-N 3.41Å; R5-M7 PolarHBondContact O-N 3.16Å
6H40.6Very low40.5Very low160 Ų160167.3 Ų167.374%0.74181%0.814SS**  trans-54.2101.9166.1-62.8-79.6000108.1Q4 L8Q4-H6 PolarHBondContact O-N 2.86Å; H6-L8 PolarHBondContact O-N 3.21Å
7M38.6Very low40.6Very low183 Ų183164 Ų16490%0.90181%0.812SS**  trans-65.692.9161.8-90.7-170.8-68.200105.8R5 E9R5-M7 PolarHBondContact O-N 3.16Å; M7-E9 PolarHBondContact O-N 3.26Å
8L44.4Very low40.8Very low154 Ų154164.2 Ų164.281%0.80681%0.81SS**  trans-63.493.9165.2-70166.7000106H6 R10H6-L8 PolarHBondContact O-N 3.21Å; L8-R10 PolarHBondContact O-N 3.15Å
9E41.5Very low41.2Very low178 Ų178161.7 Ų161.783%0.83281%0.807SS**  trans-47.9107.8167.1-169.8170.9-158.700107M7 L11M7-E9 PolarHBondContact O-N 3.26Å; E9-L11 PolarHBondContact O-N 2.83Å
10R38.6Very low41.2Very low216 Ų216161.3 Ų161.382%0.81581%0.808SS**  trans-69.590.2178.7-75.3179.6172.2175.9-3.1106.7L8 H12L8-R10 PolarHBondContact O-N 3.15Å; R10-H12 VanDerWaalsContact C-N 3.27Å; R10-H12 PolarHBondContact O-N 2.77Å
11L39.9Very low41.1Very low146 Ų146160.7 Ų160.776%0.76481%0.807SS**  trans-59.896.1168.8-158.380000106.5E9 L13E9-L11 PolarHBondContact O-N 2.83Å; L11-L13 PolarHBondContact O-N 3.39Å
12H39.1Very low41.4Very low154 Ų154154.7 Ų154.771%0.71379%0.787SS**  trans-67.592.6169.8-69.8140.5000106R10 L14R10-H12 VanDerWaalsContact C-N 3.27Å; R10-H12 PolarHBondContact O-N 2.77Å; H12-L14 PolarHBondContact O-N 2.92Å
13L41.7Very low41.5Very low150 Ų150154.2 Ų154.279%0.78578%0.784SS**  trans-64.287.9167.1-154.678000105.5L11 Q15L11-L13 PolarHBondContact O-N 3.39Å; L13-Q15 VanDerWaalsContact C-N 3.32Å; L13-Q15 PolarHBondContact O-N 3.11Å
14L43Very low41.5Very low161 Ų161150.2 Ų150.284%0.84378%0.779SS**  trans-54.4107.3164.9-85.7135.4000104.5H12 A16H12-L14 PolarHBondContact O-N 2.92Å; L14-A16 PolarHBondContact O-N 3.15Å
15Q41.6Very low41.4Very low188 Ų188152.6 Ų152.688%0.87979%0.787SS**  trans-59.891.7177.9-167.9175.1-10.800105.9L13 S17L13-Q15 VanDerWaalsContact C-N 3.32Å; L13-Q15 PolarHBondContact O-N 3.11Å; Q15-S17 PolarHBondContact O-N 3.43Å
16A45.7Very low41.5Very low80 Ų80150.3 Ų150.366%0.66178%0.784SS**  trans-57.6111.117200000104.1L14 Q18L14-A16 PolarHBondContact O-N 3.15Å; A16-Q18 PolarHBondContact O-N 3.47Å
17S40.9Very low41.3Very low111 Ų111145.9 Ų145.978%0.77678%0.781SS**  trans-56.792.3172.353.70000106.2Q15 P19Q15-S17 PolarHBondContact O-N 3.43Å; S17-P19 WeakPolarHBondContact O-CD 3.4Å
18Q45.7Very low41.5Very low168 Ų168144 Ų14479%0.78578%0.775SS**  trans-62122.3176.1-70.9-173.9-11.100105.3A16 N20A16-Q18 PolarHBondContact O-N 3.47Å; Q18-N20 PolarHBondContact O-N 2.86Å; Q18-N20 VanDerWaalsContact O-N 3.17Å
19P46.8Very low41.2Very low117 Ų117140.2 Ų140.276%0.7677%0.774SS**  trans-60.9123.7169.824.3-29.5000106.7S17 L21S17-P19 WeakPolarHBondContact O-CD 3.4Å; P19-L21 PolarHBondContact O-N 3.34Å
20N42Very low41.3Very low152 Ų152138.3 Ų138.381%0.81377%0.769SS**  trans-50.2104.1177.2-73.3-28.3000109.1Q18 C22Q18-N20 PolarHBondContact O-N 2.86Å; Q18-N20 VanDerWaalsContact O-N 3.17Å; N20-C22 PolarHBondContact O-N 3.02Å; N20-C22 VanDerWaalsContact O-N 3.13Å
21L38.4Very low41.3Very low150 Ų150135.2 Ų135.279%0.78577%0.768SS**  trans-82.390.7178.7-175.269.5000107.9P19 I23P19-L21 PolarHBondContact O-N 3.34Å; L21-I23 HydrophobicContact CD2-CD1 4.39Å; L21-I23 HydrophobicContact CD2-CG1 4.39Å; L21-I23 HydrophobicContact CG-CG1 4.24Å; L21-I23 PolarHBondContact O-N 2.74Å
22C41.1Very low41.8Very low118 Ų118133.4 Ų133.480%0.79776%0.763SS**  trans-77.398.9174-62.40000109.3N20 G24N20-C22 PolarHBondContact O-N 3.02Å; N20-C22 VanDerWaalsContact O-N 3.13Å; C22-G24 PolarHBondContact O-N 2.81Å
23I40.5Very low42.2Very low118 Ų118132 Ų13261%0.60577%0.766SS**  trans-79.998169.1-60.2169.6000107L21 F25L21-I23 HydrophobicContact CD2-CD1 4.39Å; L21-I23 HydrophobicContact CD2-CG1 4.39Å; L21-I23 HydrophobicContact CG-CG1 4.24Å; L21-I23 PolarHBondContact O-N 2.74Å; I23-F25 HydrophobicContact CG2-CE1 4.47Å; I23-F25 HydrophobicContact CG2-CE2 4.32Å; I23-F25 HydrophobicContact CG2-CZ 4.19Å; I23-F25 PolarHBondContact O-N 2.93Å
24G40.2Very low42.4Very low72 Ų72132.9 Ų132.974%0.74277%0.765SS**  trans-75.6109.7171.300000109.9C22 K26C22-G24 PolarHBondContact O-N 2.81Å; G24-K26 PolarHBondContact O-N 2.96Å; G24-K26 VanDerWaalsContact O-N 3.16Å
25F40.2Very low42.1Very low192 Ų192131.8 Ų131.884%0.84276%0.761SS**  trans-71.1106.5165.1-65-80.3000107.7I23 G27I23-F25 HydrophobicContact CG2-CE1 4.47Å; I23-F25 HydrophobicContact CG2-CE2 4.32Å; I23-F25 HydrophobicContact CG2-CZ 4.19Å; I23-F25 PolarHBondContact O-N 2.93Å; F25-G27 VanDerWaalsContact C-N 3.32Å; F25-G27 PolarHBondContact O-N 3.22Å
26K40.4Very low42.1Very low189 Ų189129.5 Ų129.582%0.82275%0.754SS**  trans-72.896.7165.6-161.1124179-179.50105.4G24 D28G24-K26 PolarHBondContact O-N 2.96Å; G24-K26 VanDerWaalsContact O-N 3.16Å; K26-D28 PolarHBondContact O-N 2.98Å
27G37.9Very low42.2Very low66 Ų66135.4 Ų135.468%0.6877%0.768SS**  trans-62115.4163.200000106.1F25 G29F25-G27 VanDerWaalsContact C-N 3.32Å; F25-G27 PolarHBondContact O-N 3.22Å; G27-G29 PolarHBondContact O-N 2.77Å
28D41.6Very low42.3Very low144 Ų144138.7 Ų138.777%0.7777%0.771SS**  trans-65.580.3164.4-67.7-35.4000106K26 D30K26-D28 PolarHBondContact O-N 2.98Å; D28-D30 PolarHBondContact O-N 3.02Å
29G38.6Very low42.1Very low75 Ų75140.6 Ų140.677%0.77378%0.78SS**  trans-84.197.917300000107.2G27 D31G27-G29 PolarHBondContact O-N 2.77Å; G29-D31 PolarHBondContact O-N 3.01Å
30D42.3Very low41.7Very low138 Ų138137.8 Ų137.874%0.73877%0.773SS**  trans-56.1126.2176.2-64.3-49000111.3D28 V32D28-D30 PolarHBondContact O-N 3.02Å; D30-V32 VanDerWaalsContact O-CG2 3.32Å; D30-V32 WeakPolarHBondContact O-CG2 3.31Å; D30-V32 PolarHBondContact O-N 2.74Å; D30-V32 VanDerWaalsContact O-N 3.15Å
31D40.4Very low41.5Very low150 Ų150137.9 Ų137.980%0.80277%0.773SS**  trans7.486.4144.5-147.919000116.4G29G29-D31 PolarHBondContact O-N 3.01Å
32V49.7Very low41.7Very low109 Ų109135.3 Ų135.366%0.66177%0.768SS**  trans-114.993161.7-143.10000107.7D30 E34D30-V32 VanDerWaalsContact O-CG2 3.32Å; D30-V32 WeakPolarHBondContact O-CG2 3.31Å; D30-V32 PolarHBondContact O-N 2.74Å; D30-V32 VanDerWaalsContact O-N 3.15Å; V32-E34 HydrophobicContact CG1-CG 4.28Å; V32-E34 VanDerWaalsContact CG1-OE1 3.28Å; V32-E34 WeakPolarHBondContact CG1-OE1 3.05Å; V32-E34 PolarHBondContact O-N 2.79Å
33V47.8Very low41.4Very low125 Ų125136.4 Ų136.476%0.75877%0.765SS**  trans-74.994.5161.8-76.90000106.7D35V33-D35 PolarHBondContact O-N 2.86Å
34E44.8Very low41.5Very low167 Ų167137.7 Ų137.778%0.7877%0.773SS**  trans-76.1108.2172-67.6-72.3162.400108.1V32V32-E34 HydrophobicContact CG1-CG 4.28Å; V32-E34 VanDerWaalsContact CG1-OE1 3.28Å; V32-E34 WeakPolarHBondContact CG1-OE1 3.05Å; V32-E34 PolarHBondContact O-N 2.79Å
35D38Very low41.5Very low139 Ų139142.4 Ų142.474%0.74378%0.78SS**  trans-72.4144.7164.6-108.3-19.4000109.5V33V33-D35 PolarHBondContact O-N 2.86Å
36D41.6Very low41.6Very low139 Ų139141.9 Ų141.974%0.74378%0.78SS**  trans68.589.2154.8-56-31.1000120E38D36-E38 PolarHBondContact O-N 2.99Å
37E47.1Very low41.4Very low205 Ų205136.2 Ų136.296%0.95878%0.775SS**  trans-71.3105159-74.2-99.1170.500110.4
38E44Very low41.4Very low180 Ų180138.9 Ų138.984%0.84177%0.774SS**  trans-87.6125.6179.3-159.5-174.7-156.200111.4D36 G40D36-E38 PolarHBondContact O-N 2.99Å; E38-G40 VanDerWaalsContact C-N 3.32Å; E38-G40 PolarHBondContact O-N 2.88Å
39E40.6Very low41.5Very low208 Ų208138.4 Ų138.497%0.97277%0.77SS**  trans-73.781.2167.1-73.1-172.8172.900110.3
40G39.2Very low41.6Very low58 Ų58140.5 Ų140.560%0.59876%0.763SS**  trans-115.592.8178.600000113.1E38 S42E38-G40 VanDerWaalsContact C-N 3.32Å; E38-G40 PolarHBondContact O-N 2.88Å; G40-S42 PolarHBondContact O-N 2.98Å
41N36.6Very low41.6Very low154 Ų154140.1 Ų140.182%0.82476%0.761SS**  trans-85.694.4178.5-166.569.3000111
42S43.9Very low41.5Very low96 Ų96140.1 Ų140.167%0.67176%0.761SS**  trans-133.8112.9166.457.50000110.9G40 D44G40-S42 PolarHBondContact O-N 2.98Å; S42-D44 PolarHBondContact O-N 3.11Å; S42-D44 VanDerWaalsContact O-N 3.11Å
43N34.6Very low41.1Very low140 Ų140139.6 Ų139.675%0.74976%0.762SS**  trans-69.794174.3-67.7-56000110.5
44D41Very low40.9Very low145 Ų145141.3 Ų141.378%0.77577%0.767SS**  trans-112100.4160.6-76.5-34.4000109.2S42 E46S42-D44 PolarHBondContact O-N 3.11Å; S42-D44 VanDerWaalsContact O-N 3.11Å; D44-E46 VanDerWaalsContact C-N 3.28Å; D44-E46 PolarHBondContact O-N 3.28Å; D44-E46 VanDerWaalsContact O-N 3.12Å
45I40.9Very low40.6Very low171 Ų171140 Ų14088%0.87776%0.764SS**  trans-77.783.9166.9-59.7171.1000106.6
46E42.6Very low40.9Very low182 Ų182137.2 Ų137.285%0.8576%0.76SS**  trans-138.9104.1156.8-100.8178175.500105.2D44D44-E46 VanDerWaalsContact C-N 3.28Å; D44-E46 PolarHBondContact O-N 3.28Å; D44-E46 VanDerWaalsContact O-N 3.12Å
47G36.4Very low40.9Very low69 Ų69137.3 Ų137.371%0.71176%0.76SS**  93.287.982.400000108.1
48N36.9Very low40.4Very low123 Ų123134.7 Ų134.766%0.65875%0.748SS**  trans66.757.3155.5-161.954000116N50N48-N50 PolarHBondContact ND2-ND2 2.91Å; N48-N50 PolarHBondContact O-N 2.97Å; N48-N50 PolarHBondContact OD1-OD1 2.76Å
49I43.7Very low40.2Very low133 Ų133131.6 Ų131.668%0.68275%0.745SS**  trans-72.788.5155.6-35.2-179.7000107.1N51I49-N51 HydrophobicContact CG2-CB 4.12Å; I49-N51 VanDerWaalsContact CG2-ND2 3.29Å; I49-N51 WeakPolarHBondContact CG2-ND2 3.34Å; I49-N51 WeakPolarHBondContact CG2-OD1 3.33Å; I49-N51 PolarHBondContact O-N 3.01Å
50N41Very low40Very low119 Ų119128.3 Ų128.364%0.63673%0.729SS**  trans-61.361.5154.1-73.6-17.7000108.2N48 N52N48-N50 PolarHBondContact ND2-ND2 2.91Å; N48-N50 PolarHBondContact O-N 2.97Å; N48-N50 PolarHBondContact OD1-OD1 2.76Å; N50-N52 PolarHBondContact O-N 2.9Å
51N43.4Very low40.1Very low130 Ų130130.3 Ų130.370%0.69573%0.734SS**  trans-70.898.1162.2-81.4-20.4000104.2I49 S53I49-N51 HydrophobicContact CG2-CB 4.12Å; I49-N51 VanDerWaalsContact CG2-ND2 3.29Å; I49-N51 WeakPolarHBondContact CG2-ND2 3.34Å; I49-N51 WeakPolarHBondContact CG2-OD1 3.33Å; I49-N51 PolarHBondContact O-N 3.01Å; N51-S53 PolarHBondContact O-N 2.98Å
52N38.2Very low40.5Very low151 Ų151132.4 Ų132.481%0.80774%0.736SS**  trans-29.380.7146.5-78.9-16.1000109.2N50 L54N50-N52 PolarHBondContact O-N 2.9Å; N52-L54 VanDerWaalsContact C-N 3.28Å; N52-L54 PolarHBondContact O-N 3.12Å
53S40.9Very low40.1Very low97 Ų97130.4 Ų130.468%0.67873%0.731SS**  trans-57.2109.6154.9177.90000102N51 I55N51-S53 PolarHBondContact O-N 2.98Å; S53-I55 PolarHBondContact O-N 3.05Å
54L44Very low40.2Very low162 Ų162131.3 Ų131.385%0.84873%0.73SS**  trans-48.9101.1161.6-83.397.4000104.3N52 A56N52-L54 VanDerWaalsContact C-N 3.28Å; N52-L54 PolarHBondContact O-N 3.12Å; L54-A56 PolarHBondContact O-N 2.66Å
55I38.9Very low40.2Very low140 Ų140132.5 Ų132.572%0.71874%0.735SS**  trans-64.583.1163.1-60.2168.6000101.5S53 D57S53-I55 PolarHBondContact O-N 3.05Å; I55-D57 PolarHBondContact O-N 3.23Å
56A43.3Very low40.3Very low80 Ų80131.4 Ų131.466%0.66173%0.726SS**  trans-58101.3161.500000102.1L54 E58L54-A56 PolarHBondContact O-N 2.66Å; A56-E58 VanDerWaalsContact C-N 3.28Å; A56-E58 WeakPolarHBondContact O-CA 3.47Å; A56-E58 PolarHBondContact O-N 2.8Å
57D41.5Very low40.3Very low141 Ų141132 Ų13275%0.75473%0.726SS**  trans-40.4101.1-178.4-78.1-42.5000107.3I55 C59I55-D57 PolarHBondContact O-N 3.23Å; D57-C59 PolarHBondContact O-N 2.96Å
58E37.4Very low40.9Very low150 Ų150138.4 Ų138.470%0.70173%0.734SS**  trans-73.787.7-172.5-166.1171.2-162.300103.3A56 H60A56-E58 VanDerWaalsContact C-N 3.28Å; A56-E58 WeakPolarHBondContact O-CA 3.47Å; A56-E58 PolarHBondContact O-N 2.8Å; E58-H60 PolarHBondContact O-N 2.71Å; E58-H60 PolarHBondContact O-ND1 2.77Å; E58-H60 IonicContact OE2-CE1 3.72Å
59C38.6Very low41.2Very low115 Ų115140.5 Ų140.578%0.77774%0.74SS**  trans-63.192172.3-740000105.5D57 S61D57-C59 PolarHBondContact O-N 2.96Å; C59-S61 PolarHBondContact O-N 2.87Å
60H37.4Very low41.2Very low138 Ų138139.5 Ų139.564%0.63974%0.742SS**  trans-66.366.7172.2-69.681.6000108.9E58 F62E58-H60 PolarHBondContact O-N 2.71Å; E58-H60 PolarHBondContact O-ND1 2.77Å; E58-H60 IonicContact OE2-CE1 3.72Å; H60-F62 PolarHBondContact O-N 3.47Å
61S41.3Very low41.3Very low100 Ų100141.5 Ų141.570%0.69975%0.745SS**  trans-80.198165.2-171.50000106.6C59 G63C59-S61 PolarHBondContact O-N 2.87Å; S61-G63 PolarHBondContact O-N 2.88Å
62F43.5Very low41.4Very low198 Ų198140.2 Ų140.287%0.86874%0.742SS**  trans-46.6113.8168-66.1-91.7000109.9H60H60-F62 PolarHBondContact O-N 3.47Å
63G35.9Very low41.7Very low55 Ų55145.3 Ų145.357%0.56775%0.75SS**SBendtrans100.4117.7166.500000114.6S61S61-G63 PolarHBondContact O-N 2.88Å
64H38.4Very low41.9Very low158 Ų158148.7 Ų148.773%0.73176%0.755SS**  trans8297.2167.2-57.8-16000115.5H66H64-H66 WeakPolarHBondContact CB-NE2 3.32Å; H64-H66 PolarHBondContact O-CD2 2.83Å; H64-H66 VanDerWaalsContact O-CD2 3.26Å; H64-H66 PolarHBondContact O-N 2.95Å
65I39.5Very low41.9Very low170 Ų170148 Ų14887%0.87275%0.748SS**  trans-62.283157.4-47.6166.5000106.5K67I65-K67 PolarHBondContact O-N 3.02Å
66H43.8Very low42Very low148 Ų148152.1 Ų152.169%0.68575%0.754SS**  trans-67.1104.3167.1-69.3-78.1000105.8H64 K68H64-H66 WeakPolarHBondContact CB-NE2 3.32Å; H64-H66 PolarHBondContact O-CD2 2.83Å; H64-H66 VanDerWaalsContact O-CD2 3.26Å; H64-H66 PolarHBondContact O-N 2.95Å; H66-K68 PolarHBondContact O-N 2.97Å
67K42Very low42.1Very low195 Ų195152.8 Ų152.885%0.84876%0.76SS**  trans-48.1119.9162.7-72.7-175.2177.1-177.50105.5I65 E69I65-K67 PolarHBondContact O-N 3.02Å; K67-E69 PolarHBondContact O-N 3.36Å
68K49Very low42.3Very low204 Ų204155.6 Ų155.689%0.88777%0.766SS**  trans-57.991.4179.7-71-176.1179.1178.30107.4H66H66-K68 PolarHBondContact O-N 2.97Å
69E44.1Very low42.4Very low167 Ų167152.1 Ų152.178%0.7876%0.758SS**  trans-66.4123.8170.4-155.1163.7-163.400104.9K67 F71K67-E69 PolarHBondContact O-N 3.36Å; E69-F71 PolarHBondContact O-N 3.18Å
70P42.5Very low42.9Very low112 Ų112153.2 Ų153.273%0.72776%0.755SS**  trans-58.9113.5-177.521-30.1000107.8T72P70-T72 PolarHBondContact O-N 2.97Å
71F44.6Very low43.2Very low160 Ų160152.1 Ų152.170%0.70276%0.759SS**  trans-51.2110174.3-71-79000108E69 R73 E75E69-F71 PolarHBondContact O-N 3.18Å; F71-R73 PolarHBondContact O-N 3.35Å; F71-E75 VanDerWaalsContact CD1-CD 3.47Å; F71-E75 WeakPolarHBondContact CD1-OE2 3.41Å; F71-E75 WeakPolarHBondContact CE1-OE2 3.16Å
72T44.4Very low43.3Very low104 Ų104154 Ų15464%0.63876%0.761SS**  trans-57.4139.7167.263.40000106.6P70 Q74P70-T72 PolarHBondContact O-N 2.97Å; T72-Q74 PolarHBondContact O-N 3.33Å
73R44.2Very low43.5Very low258 Ų258150.9 Ų150.997%0.97475%0.753SS**THydrogen-bonded Turntrans-58.511.1-172.6-132.1179.2-165.8-122.75.2115.4F71F71-R73 PolarHBondContact O-N 3.35Å
74Q44.7Very low44Very low168 Ų168155.3 Ų155.379%0.78576%0.762SS**THydrogen-bonded Turntrans-102.6-0-172.3-71.2-176.5-1.200114.7T72 R76T72-Q74 PolarHBondContact O-N 3.33Å; Q74-R76 PolarHBondContact O-N 2.97Å
75E44Very low44.4Very low148 Ų148153.1 Ų153.169%0.69276%0.761SS**  trans-74.164.3165.2-67.9-171.3178.400110.2F71 A77F71-E75 VanDerWaalsContact CD1-CD 3.47Å; F71-E75 WeakPolarHBondContact CD1-OE2 3.41Å; F71-E75 WeakPolarHBondContact CE1-OE2 3.16Å; E75-A77 PolarHBondContact O-N 3.05Å
76R41.9Very low44.6Very low225 Ų225154.1 Ų154.185%0.84976%0.762SS**  trans-67.7122.4176.1-137.2177.3-163.9-174.23.5107.1Q74 F78Q74-R76 PolarHBondContact O-N 2.97Å; R76-F78 PolarHBondContact O-N 2.88Å
77A45.4Very low44.7Very low94 Ų94156.5 Ų156.578%0.77777%0.771SS**  trans-37123.3176.200000112.2E75 S79E75-A77 PolarHBondContact O-N 3.05Å; A77-S79 PolarHBondContact O-N 2.97Å; A77-S79 VanDerWaalsContact O-N 3.07Å
78F46Very low44.9Very low201 Ų201151.5 Ų151.588%0.88277%0.766SS**  trans-63.8110.8170.2-69-86.1000108.1R76 L80R76-F78 PolarHBondContact O-N 2.88Å; F78-L80 PolarHBondContact O-N 2.84Å
79S40.2Very low44.6Very low77 Ų77150 Ų15054%0.53876%0.762SS.*  trans-69112.5176.2-165.90000109.1A77 T81 N82A77-S79 PolarHBondContact O-N 2.97Å; A77-S79 VanDerWaalsContact O-N 3.07Å; S79-T81 PolarHBondContact O-N 3.2Å; S79-T81 PolarHBondContact OG-OG1 2.82Å; S79-N82 PolarHBondContact O-N 3.11Å
80L49Very low44.9Very low137 Ų137149.7 Ų149.772%0.71776%0.764SS**G310 helixtrans-63.1-5.2176-66.9171.3000113.2F78 N82 L83F78-L80 PolarHBondContact O-N 2.84Å; L80-N82 PolarHBondContact O-N 3.1Å; L80-N82 VanDerWaalsContact O-N 3.17Å; L80-L83 HydrophobicContact CB-CD1 4.37Å; L80-L83 HydrophobicContact CD2-CD1 4.08Å; L80-L83 PolarHBondContact O-N 2.9Å
81T43.5Very low45Very low116 Ų116150.8 Ų150.871%0.71276%0.763SS**G310 helixtrans-63.7-15.8175.943.20000114.1S79 L83S79-T81 PolarHBondContact O-N 3.2Å; S79-T81 PolarHBondContact OG-OG1 2.82Å; T81-L83 VanDerWaalsContact C-N 3.34Å
82N44Very low45.1Very low140 Ų140147.9 Ų147.975%0.74976%0.762SS**G310 helixtrans-89.69.9176.5-75.6-6.8000114.5S79 L80 I84S79-N82 PolarHBondContact O-N 3.11Å; L80-N82 PolarHBondContact O-N 3.1Å; L80-N82 VanDerWaalsContact O-N 3.17Å; N82-I84 VanDerWaalsContact C-N 3.26Å; N82-I84 PolarHBondContact O-N 3.01Å
83L46.4Very low45.2Very low132 Ų132152.1 Ų152.169%0.69177%0.772SS**  trans-69.989.8169.5-69.3172.2000108.9L80 T81 P85L80-L83 HydrophobicContact CB-CD1 4.37Å; L80-L83 HydrophobicContact CD2-CD1 4.08Å; L80-L83 PolarHBondContact O-N 2.9Å; T81-L83 VanDerWaalsContact C-N 3.34Å; L83-P85 WeakPolarHBondContact O-CD 3.32Å
84I47.4Very low45.4Very low148 Ų148146.2 Ų146.276%0.75976%0.76SS**  trans-56.5120.2168.5-61.5171.8000106.4N82 Q86N82-I84 VanDerWaalsContact C-N 3.26Å; N82-I84 PolarHBondContact O-N 3.01Å; I84-Q86 PolarHBondContact O-N 2.77Å
85P45.9Very low45.6Very low112 Ų112147.1 Ų147.173%0.72776%0.764SS**  trans-59.3111.2176.2-18.529.8000108.1L83 K87L83-P85 WeakPolarHBondContact O-CD 3.32Å; P85-K87 PolarHBondContact O-N 2.95Å
86Q44.9Very low45.6Very low190 Ų190150.8 Ų150.889%0.88877%0.773SS**  trans-66.1108169.9-71.1-1730.400106.6I84 A88I84-Q86 PolarHBondContact O-N 2.77Å; Q86-A88 PolarHBondContact O-N 2.97Å
87K45.5Very low45.8Very low199 Ų199146 Ų14687%0.86576%0.764SS**  trans-64.5101.8168.9-75.5-176175.9-177.60107.1P85 E89P85-K87 PolarHBondContact O-N 2.95Å; K87-E89 PolarHBondContact O-N 3.06Å
88A45.5Very low45.7Very low90 Ų90147.5 Ų147.574%0.74476%0.76SS**  trans-73.9110.8164.800000107.4Q86 I90Q86-A88 PolarHBondContact O-N 2.97Å; A88-I90 PolarHBondContact O-N 3.02Å
89E42.6Very low45.6Very low172 Ų172143.4 Ų143.480%0.80475%0.747SS**  trans-75.8110.3166.5-74.9-178.1173.300108K87 L91K87-E89 PolarHBondContact O-N 3.06Å; E89-L91 PolarHBondContact O-N 2.95Å
90I50Low45.6Very low161 Ų161146.5 Ų146.583%0.82676%0.757SS**  trans-78.4102.3169.9-57.9172.5000106.2A88 S92A88-I90 PolarHBondContact O-N 3.02Å; I90-S92 PolarHBondContact O-N 3.03Å
91L45.1Very low45.2Very low135 Ų135146.7 Ų146.771%0.70776%0.759SS**  trans-67.8102.4172.1-68168.6000108.4E89 F93E89-L91 PolarHBondContact O-N 2.95Å; L91-F93 PolarHBondContact O-N 2.95Å
92S45.9Very low44.8Very low98 Ų98145.8 Ų145.869%0.68576%0.757SS**  trans-73.6111.617163.20000108.9I90 N94I90-S92 PolarHBondContact O-N 3.03Å; S92-N94 PolarHBondContact O-N 2.98Å; S92-N94 VanDerWaalsContact O-N 3.11Å
93F46.7Very low44.5Very low193 Ų193146.3 Ų146.385%0.84676%0.76SS**  trans-66.8109.4168.8-65-84.4000108.2L91 E95L91-F93 PolarHBondContact O-N 2.95Å; F93-E95 PolarHBondContact O-N 3.09Å
94N49.7Very low43.9Very low135 Ų135147.4 Ų147.472%0.72277%0.767SS**  trans-64.4106.5163.6-71.3-21.7000106.4S92 Y96S92-N94 PolarHBondContact O-N 2.98Å; S92-N94 VanDerWaalsContact O-N 3.11Å; N94-Y96 PolarHBondContact O-N 3.06Å
95E47.7Very low43.4Very low187 Ų187144.7 Ų144.787%0.87476%0.761SS**  trans-57.8108.9168.4-163.2169.9-158.400106.3F93 N97F93-E95 PolarHBondContact O-N 3.09Å; E95-N97 PolarHBondContact O-N 3.27Å
96Y45.4Very low43Very low224 Ų224146.7 Ų146.788%0.87877%0.766SS**  trans-61.793172.7-84.9-96.4000106.6N94 N98N94-Y96 PolarHBondContact O-N 3.06Å; Y96-N98 PolarHBondContact O-N 3.48Å
97N45.7Very low42.7Very low124 Ų124146.6 Ų146.666%0.66377%0.765SS**  trans-67.987.9173.5-173.516.1000107.4E95 N99E95-N97 PolarHBondContact O-N 3.27Å; N97-N99 PolarHBondContact O-N 2.98Å; N97-N99 PolarHBondContact OD1-ND2 3.42Å; N97-N99 PolarHBondContact OD1-OD1 3.46Å
98N41.8Very low42.2Very low126 Ų126146 Ų14667%0.67477%0.765SS**  trans-76.456.4176.1-162.616.3000109.3Y96 N100Y96-N98 PolarHBondContact O-N 3.48Å; N98-N100 PolarHBondContact O-N 3.47Å; N98-N100 VanDerWaalsContact O-N 3.15Å; N98-N100 PolarHBondContact OD1-ND2 3.5Å
99N45.7Very low41.9Very low116 Ų116152 Ų15262%0.6277%0.769SS**  trans-86.761.3167.2-82.6-5.8000108.6N97 N101N97-N99 PolarHBondContact O-N 2.98Å; N97-N99 PolarHBondContact OD1-ND2 3.42Å; N97-N99 PolarHBondContact OD1-OD1 3.46Å; N99-N101 PolarHBondContact O-N 3.5Å; N99-N101 VanDerWaalsContact O-N 3.16Å
100N39Very low41.5Very low141 Ų141150.5 Ų150.575%0.75477%0.766SS**  trans-80.865.9154.4-75.1-36.6000107.9N98N98-N100 PolarHBondContact O-N 3.47Å; N98-N100 VanDerWaalsContact O-N 3.15Å; N98-N100 PolarHBondContact OD1-ND2 3.5Å
101N40.1Very low41.2Very low142 Ų142148.3 Ų148.376%0.75976%0.756SS**  trans-120.998.6159-86.6-30000104.6N99N99-N101 PolarHBondContact O-N 3.5Å; N99-N101 VanDerWaalsContact O-N 3.16Å
102S35.9Very low40.7Very low96 Ų96149.6 Ų149.667%0.67176%0.764SS**  84.688.497.6172.70000109.6N104S102-N104 PolarHBondContact O-N 3.27Å
103D36.8Very low40.3Very low151 Ų151151.9 Ų151.981%0.80777%0.774SS**  trans24.497.3133.7-57-33.9000115.2
104N35Very low39.8Very low155 Ų155147.5 Ų147.583%0.82976%0.763SS**  trans-14997.4145.1-97.7-28000108S102S102-N104 PolarHBondContact O-N 3.27Å
105S37.5Very low39.1Very low92 Ų92147 Ų14764%0.64376%0.76SS**  trans4.3125.4142.3520000116.6
106D35.6Very low38.6Very low153 Ų153147.1 Ų147.182%0.81876%0.76SS**  21.9106.2123.7-58.2-41.4000115
107E39.9Very low38.2Very low188 Ų188142 Ų14288%0.87975%0.753SS**  178135.1122.1-97.1176.4-174.200111.2R109E107-R109 PolarHBondContact O-N 3.36Å
108H34.9Very low37.9Very low188 Ų188142 Ų14287%0.8775%0.753SS**  trans-44.5113.9173.1-67.2-89.5000113.5
109R38.1Very low37.6Very low215 Ų215143.6 Ų143.681%0.81176%0.756SS**  trans-147.578.7155.1-139.6170.4176.5170.7-3.1112.8E107 N111E107-R109 PolarHBondContact O-N 3.36Å; R109-N111 PolarHBondContact NE-ND2 3.48Å; R109-N111 PolarHBondContact O-N 3.47Å; R109-N111 VanDerWaalsContact O-N 3.15Å
110N34.6Very low37.3Very low140 Ų140147.5 Ų147.575%0.74976%0.764SS**  trans-49.6102.1147.852-20.8000111
111N44.7Very low37.3Very low116 Ų116149.3 Ų149.362%0.6277%0.767SS**  trans-144111.9159.3-81.2-37.2000109.9R109 T113R109-N111 PolarHBondContact NE-ND2 3.48Å; R109-N111 PolarHBondContact O-N 3.47Å; R109-N111 VanDerWaalsContact O-N 3.15Å; N111-T113 PolarHBondContact O-N 3.47Å
112N34.7Very low37.2Very low161 Ų161151.2 Ų151.286%0.86177%0.769SS**  trans-15.7107.7160.8-84.3-25.2000114.4
113T37Very low37.5Very low146 Ų146151.6 Ų151.690%0.89677%0.771SS**  trans-113112.3149.3-53.60000108N111N111-T113 PolarHBondContact O-N 3.47Å
114T36Very low37.6Very low102 Ų102153.9 Ų153.963%0.62677%0.774SS**  trans-73.1135.9-171.6-45.30000111.2
115N35.2Very low37.7Very low123 Ų123153 Ų15366%0.65877%0.769SS**  trans44101.2148.4-55.5-18000119.4
116H37.8Very low37.3Very low190 Ų190154.3 Ų154.388%0.8878%0.777SS**  -136.699.4127.6-86.5-63.9000109.5N118H116-N118 VanDerWaalsContact C-N 3.32Å; H116-N118 PolarHBondContact O-N 3.33Å
117T37.1Very low37.2Very low118 Ų118152.7 Ų152.772%0.72477%0.773SS**  trans-58.287166.30.10000109.2E119T117-E119 HydrophobicContact CG2-CG 4.49Å; T117-E119 PolarHBondContact O-N 2.76Å
118N38.6Very low36.8Very low124 Ų124153.5 Ų153.566%0.66377%0.774SS**  trans-89.394.8154.2-81.7-19000106.5H116 Y120H116-N118 VanDerWaalsContact C-N 3.32Å; H116-N118 PolarHBondContact O-N 3.33Å; N118-Y120 HydrophobicContact CB-CD2 3.88Å; N118-Y120 HydrophobicContact CB-CE2 3.77Å; N118-Y120 PolarHBondContact O-N 3.05Å
119E35.9Very low36.5Very low159 Ų159154.9 Ų154.974%0.74377%0.773SS**  trans-60.472.6168.5-66-178.6154.100109.7T117 H121T117-E119 HydrophobicContact CG2-CG 4.49Å; T117-E119 PolarHBondContact O-N 2.76Å; E119-H121 PolarHBondContact O-N 2.79Å
120Y39Very low36.1Very low198 Ų198153.3 Ų153.378%0.77678%0.775SS**  trans-72102.3162.1-78.7-81.7000106.8N118 K122N118-Y120 HydrophobicContact CB-CD2 3.88Å; N118-Y120 HydrophobicContact CB-CE2 3.77Å; N118-Y120 PolarHBondContact O-N 3.05Å; Y120-K122 PolarHBondContact O-N 2.93Å
121H39.1Very low36.3Very low179 Ų179152 Ų15283%0.82978%0.777SS**  trans-36.6102.5175.5-66.7-73.3000111.4E119 S123E119-H121 PolarHBondContact O-N 2.79Å; H121-S123 PolarHBondContact O-N 2.89Å
122K36.9Very low35.7Very low182 Ų182151 Ų15179%0.79178%0.779SS**  trans-62.3104.7172.5-164.1174.7-173.11800107Y120 K124Y120-K122 PolarHBondContact O-N 2.93Å; K122-K124 PolarHBondContact O-N 3.22Å
123S43.1Very low35.7Very low103 Ų103149.3 Ų149.372%0.7278%0.776SS**  trans-48.9124.317252.50000108.6H121 N125H121-S123 PolarHBondContact O-N 2.89Å; S123-N125 PolarHBondContact O-N 2.71Å; S123-N125 VanDerWaalsContact O-N 3.11Å
124K38.8Very low35.7Very low199 Ų199150.2 Ų150.287%0.86578%0.775SS**  trans-46.6119.9179.4-68.9175.7177.9176.40109K122 C126K122-K124 PolarHBondContact O-N 3.22Å; K124-C126 PolarHBondContact O-N 3.04Å; K124-C126 VanDerWaalsContact O-N 3.1Å
125N37.1Very low35.6Very low136 Ų136150.9 Ų150.973%0.72778%0.783SS**  trans-43.8118.3173.8-80.4-20.7000109.3S123 T127S123-N125 PolarHBondContact O-N 2.71Å; S123-N125 VanDerWaalsContact O-N 3.11Å; N125-T127 PolarHBondContact O-N 2.84Å
126C30.3Very low35.3Very low120 Ų120152.4 Ų152.481%0.81179%0.79SS**  trans-57.9109.8160.5-65.10000106.8K124 K128K124-C126 PolarHBondContact O-N 3.04Å; K124-C126 VanDerWaalsContact O-N 3.1Å; C126-K128 PolarHBondContact O-N 3Å
127T32.4Very low34.8Very low120 Ų120150.4 Ų150.474%0.73679%0.786SS**  trans-57.5105.7167.214.40000107N125 Y129N125-T127 PolarHBondContact O-N 2.84Å; T127-Y129 PolarHBondContact O-N 3.33Å
128K31.8Very low34.5Very low204 Ų204154.3 Ų154.389%0.88779%0.793SS**  trans-57.9112.8165.9-73.2179.7176.9179.80105.9C126 E130C126-K128 PolarHBondContact O-N 3Å; K128-E130 VanDerWaalsContact C-N 3.33Å; K128-E130 PolarHBondContact O-N 3.41Å
129Y29.4Very low34.2Very low217 Ų217156 Ų15685%0.85180%0.801SS**  trans-64.9102.1166.6-82.4-92.5000106.7T127 S131T127-Y129 PolarHBondContact O-N 3.33Å; Y129-S131 VanDerWaalsContact C-N 3.31Å; Y129-S131 PolarHBondContact O-N 2.87Å
130E29.7Very low33.8Very low183 Ų183156.6 Ų156.686%0.85581%0.808SS**  trans-68.297.5165.7-165.3168.4-162.500106K128 S132K128-E130 VanDerWaalsContact C-N 3.33Å; K128-E130 PolarHBondContact O-N 3.41Å; E130-S132 VanDerWaalsContact C-N 3.35Å; E130-S132 PolarHBondContact O-N 3.06Å
131S37.1Very low33.2Very low113 Ų113154.6 Ų154.679%0.7981%0.805SS**  trans-67.497.6173.5410000107.8Y129Y129-S131 VanDerWaalsContact C-N 3.31Å; Y129-S131 PolarHBondContact O-N 2.87Å
132S32.6Very low32.8Very low95 Ų95154.9 Ų154.966%0.66481%0.806SS**  trans-50.9137.1171.6-65.40000110.3E130 L134E130-S132 VanDerWaalsContact C-N 3.35Å; E130-S132 PolarHBondContact O-N 3.06Å; S132-L134 PolarHBondContact O-N 2.81Å; S132-L134 VanDerWaalsContact O-N 3.09Å
133P35.4Very low32.3Very low124 Ų124150 Ų15081%0.80581%0.808SS**  trans-60.5117.4174.623.2-30.3000108.7S135P133-S135 PolarHBondContact O-N 3.4Å
134L37Very low31.6Very low166 Ų166153.9 Ų153.987%0.86982%0.815SS**  trans-54.1111.6170.3-113.274.5000107.4S132 I136S132-L134 PolarHBondContact O-N 2.81Å; S132-L134 VanDerWaalsContact O-N 3.09Å; L134-I136 PolarHBondContact O-N 2.71Å
135S33.7Very low31.2Very low115 Ų115155.3 Ų155.380%0.80482%0.815SS**  trans-63.5111.1173.644.50000108.4P133 N137P133-S135 PolarHBondContact O-N 3.4Å; S135-N137 PolarHBondContact O-N 3.48Å
136I29.3Very low31.1Very low155 Ų155158 Ų15880%0.79582%0.823SS**  trans-56.8102.2165.9-60.5159000106.4L134L134-I136 PolarHBondContact O-N 2.71Å
137N27.5Very low31.2Very low149 Ų149160.8 Ų160.880%0.79782%0.824SS**  trans-179.7135.9147.5-94.6-37.9000112.4S135S135-N137 PolarHBondContact O-N 3.48Å
138K30.8Very low31.3Very low199 Ų199163.4 Ų163.487%0.86583%0.828SS**  trans82.582.3168.7-57.7178.4179.4-179.80116.5
139L31.7Very low31.4Very low159 Ų159163.9 Ų163.983%0.83282%0.824SS**  -164.178.9112.4-152.165.4000110.2Q141L139-Q141 PolarHBondContact O-N 3.02Å
140I27.1Very low31.9Very low173 Ų173158 Ų15889%0.88781%0.812SS**  trans-87.987.1163.7-58.2170.6000105.9
141Q27.6Very low32.4Very low155 Ų155157.9 Ų157.972%0.72481%0.812SS**  trans-149.1109.8165.6-88.3-169.121.600110.9L139L139-Q141 PolarHBondContact O-N 3.02Å
142H28.9Very low32.3Very low185 Ų185159.2 Ų159.286%0.85681%0.805SS**  trans62.8107.1147.5-60.7-72.2000119.8
143G27.8Very low32.5Very low81 Ų81161.7 Ų161.784%0.83581%0.807SS**  trans169.166.5166.900000111.8
144E28.2Very low32.5Very low183 Ų183163.5 Ų163.586%0.85580%0.804SS**  trans-60.8145.1170.5-64.517814800111.2
145R29.9Very low32.6Very low230 Ų230161 Ų16187%0.86879%0.79SS**  trans72.975.5162.3-66.3179.8168.9155.2-1.8118.4
146E34.2Very low33Very low193 Ų193159.9 Ų159.990%0.90278%0.778SS**  -131.387.4127.9-77.1-165.915700108.1H148E146-H148 PolarHBondContact O-N 3.17Å
147Q33.8Very low33.6Very low177 Ų177158.8 Ų158.883%0.82777%0.774SS**  trans-60.4112.6168.3-73.3-165.7-15.500108R149Q147-R149 PolarHBondContact O-N 3.17Å
148H33.3Very low34.3Very low176 Ų176156.8 Ų156.882%0.81576%0.762SS**  trans682.1148.3-57.2-84.1000113.8E146 P150E146-H148 PolarHBondContact O-N 3.17Å; H148-P150 WeakPolarHBondContact O-CD 3.1Å; H148-P150 VanDerWaalsContact O-N 3.11Å
149R33.9Very low34.6Very low213 Ų213152.2 Ų152.280%0.80475%0.747SS**  trans-65.9108.3159.8-172.9174.1178.1174.4-0.3105.2Q147 Q151Q147-R149 PolarHBondContact O-N 3.17Å; R149-Q151 PolarHBondContact O-N 2.67Å
150P39.8Very low34.9Very low94 Ų94149.6 Ų149.661%0.6173%0.734SS**  trans-67.4131.1-168.2-18.132.7000109.1H148 H152H148-P150 WeakPolarHBondContact O-CD 3.1Å; H148-P150 VanDerWaalsContact O-N 3.11Å; P150-H152 HydrophobicContact CB-CB 4.39Å; P150-H152 PolarHBondContact O-N 2.83Å
151Q41.3Very low35.3Very low180 Ų180149.5 Ų149.584%0.84173%0.727SS**THydrogen-bonded Turntrans-61.716.9173.9-68.5177.2-24.700113.9R149R149-Q151 PolarHBondContact O-N 2.67Å
152H33.8Very low35.9Very low141 Ų141147.2 Ų147.265%0.65372%0.718SS**THydrogen-bonded Turntrans-80.8-17.3-174.2-119.8-69.9000114.2P150P150-H152 HydrophobicContact CB-CB 4.39Å; P150-H152 PolarHBondContact O-N 2.83Å
153E37.8Very low36.4Very low148 Ų148143.7 Ų143.769%0.69271%0.706SS**Hα-helixtrans-77.3-25.2178.3-82.3-176.1156.100113.7I155E153-I155 PolarHBondContact O-N 3.09Å
154Q35.3Very low36.8Very low162 Ų162150 Ų15076%0.75770%0.704SS**Hα-helixtrans-72.7-29.1-179-81.3-173.22.600113.2
155I38.9Very low37.3Very low112 Ų112148.9 Ų148.957%0.57470%0.704SS**Hα-helixtrans-74.3-31.3-177.8-61175.6000111.4E153 L157E153-I155 PolarHBondContact O-N 3.09Å; I155-L157 PolarHBondContact O-N 3.17Å
156V42.9Very low37.8Very low92 Ų92146.1 Ų146.156%0.55870%0.698SS**Hα-helixtrans-72.5-30-177.5-177.10000112.1I158V156-I158 PolarHBondContact O-N 2.86Å
157L41.3Very low37.7Very low132 Ų132144.4 Ų144.469%0.69169%0.69SS**Hα-helixtrans-73.4-28.7-176.2-139.578.9000113.4I155I155-L157 PolarHBondContact O-N 3.17Å
158I41.6Very low38Very low108 Ų108143 Ų14355%0.55469%0.688SS**Hα-helixtrans-71.2-38.8-176.6-60.5176.1000110.9V156 N160 K161V156-I158 PolarHBondContact O-N 2.86Å; I158-N160 VanDerWaalsContact C-N 3.32Å; I158-N160 PolarHBondContact O-N 2.94Å; I158-K161 PolarHBondContact O-N 3.41Å
159N37.5Very low38.2Very low102 Ų102141.2 Ų141.255%0.54569%0.69SS.*Hα-helixtrans-69.2-28.3-178.1-75.2-15.6000113.5K161N159-K161 PolarHBondContact O-N 3.15Å
160N39Very low38.2Very low105 Ų105136.6 Ų136.656%0.56169%0.685SS**Hα-helixtrans-73.9-23.6177.1-84.3-23.9000113.7I158I158-N160 VanDerWaalsContact C-N 3.32Å; I158-N160 PolarHBondContact O-N 2.94Å
161K34.3Very low38.1Very low171 Ų171137.4 Ų137.474%0.74369%0.691SS**Hα-helixtrans-76.8-36.7176.3-88.4-171.7173.5-175.50112.9I158 N159 N163 R164I158-K161 PolarHBondContact O-N 3.41Å; N159-K161 PolarHBondContact O-N 3.15Å; K161-N163 VanDerWaalsContact C-N 3.34Å; K161-N163 PolarHBondContact O-N 3.19Å; K161-R164 PolarHBondContact O-N 3.27Å
162I41.1Very low37.6Very low106 Ų106134.9 Ų134.954%0.54469%0.688SS.*Hα-helixtrans-68-36.1-179.7-62.8172000111.1
163N39.2Very low37.6Very low112 Ų112134.4 Ų134.460%0.59970%0.695SS**Hα-helixtrans-75-24.3-179.5-78-16.9000114.4K161K161-N163 VanDerWaalsContact C-N 3.34Å; K161-N163 PolarHBondContact O-N 3.19Å
164R35.3Very low37.3Very low212 Ų212134.2 Ų134.280%0.870%0.698SS**Hα-helixtrans-78.2-25.2175.5-73.8-169.4177.8-170.30.2113.4K161 K166 Q167K161-R164 PolarHBondContact O-N 3.27Å; R164-K166 PolarHBondContact O-N 3.07Å; R164-Q167 PolarHBondContact O-N 3.13Å
165L39.9Very low37.3Very low160 Ų160131.7 Ų131.784%0.83870%0.695SS**THydrogen-bonded Turntrans-74.3-10-177.9-152.771.2000113.6Q167L165-Q167 VanDerWaalsContact C-N 3.31Å; L165-Q167 PolarHBondContact O-N 3.07Å
166K40.4Very low36.9Very low173 Ų173132 Ų13275%0.75271%0.708SS**THydrogen-bonded Turntrans-81-3.6175.7-74.7-170.3177.3-177.50114.5R164 N168R164-K166 PolarHBondContact O-N 3.07Å; K166-N168 PolarHBondContact O-N 3.19Å
167Q32.7Very low36.2Very low157 Ų157133 Ų13373%0.73471%0.714SS**SBendtrans-95.1101.5-179-65.6-160.8-9.200112.1R164 L165R164-Q167 PolarHBondContact O-N 3.13Å; L165-Q167 VanDerWaalsContact C-N 3.31Å; L165-Q167 PolarHBondContact O-N 3.07Å
168N38.2Very low35.9Very low146 Ų146133.2 Ų133.278%0.78172%0.716SS**  trans54.964.2142.5-55.5-0.8000117.7K166 T170K166-N168 PolarHBondContact O-N 3.19Å; N168-T170 PolarHBondContact O-N 3.39Å
169T37.3Very low35.5Very low140 Ų140133.9 Ų133.986%0.85973%0.726SS**  trans-84.188.3149.636.70000108.6
170T33.9Very low35.2Very low115 Ų115135 Ų13571%0.70674%0.741SS**  trans-60.4128.5164.2-45.20000107.6N168 T172N168-T170 PolarHBondContact O-N 3.39Å; T170-T172 PolarHBondContact O-N 2.66Å
171P38.9Very low35.1Very low111 Ų111135.8 Ų135.872%0.72175%0.75SS**  trans-64.9107.5-178.720.9-28.7000110.2T173P171-T173 PolarHBondContact O-N 2.75Å
172T31.1Very low35.2Very low127 Ų127132.2 Ų132.278%0.77975%0.747SS**  trans-64.8105.1170.7-53.50000108.4T170 L174T170-T172 PolarHBondContact O-N 2.66Å; T172-L174 HydrophobicContact CG2-CD1 4.47Å; T172-L174 PolarHBondContact O-N 3.21Å; T172-L174 VanDerWaalsContact O-N 3.17Å
173T33.2Very low34.9Very low132 Ų132133.4 Ų133.481%0.8175%0.754SS**  trans-74.8101.6173.6-33.90000107.8P171P171-T173 PolarHBondContact O-N 2.75Å
174L31Very low34.6Very low143 Ų143133 Ų13375%0.74976%0.756SS**  trans-70.4132170.6-12779.4000108.5T172 S176T172-L174 HydrophobicContact CG2-CD1 4.47Å; T172-L174 PolarHBondContact O-N 3.21Å; T172-L174 VanDerWaalsContact O-N 3.17Å; L174-S176 PolarHBondContact O-N 2.73Å; L174-S176 VanDerWaalsContact O-N 3.15Å
175P34.8Very low34.6Very low109 Ų109130.2 Ų130.271%0.70876%0.757SS**  trans-65.2115172.823.9-30.2000109.2T177P175-T177 VanDerWaalsContact C-N 3.29Å; P175-T177 PolarHBondContact O-N 3.26Å
176S31.7Very low34.2Very low120 Ų120130 Ų13084%0.83975%0.751SS**  trans-74.785.8173.863.60000109.1L174 N178L174-S176 PolarHBondContact O-N 2.73Å; L174-S176 VanDerWaalsContact O-N 3.15Å; S176-N178 PolarHBondContact O-N 2.79Å
177T28Very low33.8Very low112 Ų112127.2 Ų127.269%0.68775%0.753SS**  trans-67.4120.3158.1-33.30000106.3P175P175-T177 VanDerWaalsContact C-N 3.29Å; P175-T177 PolarHBondContact O-N 3.26Å
178N35.7Very low33.9Very low136 Ų136126.9 Ų126.973%0.72775%0.754SS**  trans157.7118.3138.8-73-16.8000111.5S176S176-N178 PolarHBondContact O-N 2.79Å
179T32.1Very low33.8Very low123 Ų123125.9 Ų125.976%0.75575%0.754SS**  trans53.289.813953.90000118.2T181T179-T181 PolarHBondContact O-N 3.22Å; T179-T181 VanDerWaalsContact O-N 3.09Å
180S30.4Very low33.7Very low124 Ų124124.1 Ų124.187%0.86775%0.747SS**  trans1.691.9138.1178.90000116
181T37.7Very low33.8Very low122 Ų122127.9 Ų127.975%0.74875%0.754SS**  trans-133.5106.4142.3-18.30000107.2T179 N183T179-T181 PolarHBondContact O-N 3.22Å; T179-T181 VanDerWaalsContact O-N 3.09Å; T181-N183 PolarHBondContact O-N 3.01Å
182S35.9Very low33.9Very low97 Ų97127.6 Ų127.668%0.67875%0.754SS**  trans-69.969.4-174.4173.60000111.3T184S182-T184 VanDerWaalsContact C-N 3.34Å; S182-T184 PolarHBondContact O-N 3.02Å
183N34.9Very low34.1Very low131 Ų131129 Ų12970%0.70176%0.755SS**  trans-94.779.8162.5-67.6-10.5000106.7T181 N185T181-N183 PolarHBondContact O-N 3.01Å; N183-N185 PolarHBondContact O-N 2.93Å
184T32.8Very low34.3Very low104 Ų104131 Ų13164%0.63876%0.755SS**  trans-64.786.5176.8-1.70000108.2S182 Q186S182-T184 VanDerWaalsContact C-N 3.34Å; S182-T184 PolarHBondContact O-N 3.02Å; T184-Q186 HydrophobicContact CG2-CG 4.4Å; T184-Q186 PolarHBondContact O-N 2.71Å
185N35.4Very low34.5Very low153 Ų153128 Ų12882%0.81875%0.747SS**  trans-64.383.3161.6-72-33.3000106.9N183 C187N183-N185 PolarHBondContact O-N 2.93Å; N185-C187 PolarHBondContact O-N 2.89Å
186Q31.8Very low34.6Very low154 Ų154132.1 Ų132.172%0.7275%0.753SS**  trans-70.7102.2174.5-65.9-162.937.900107.4T184 I188T184-Q186 HydrophobicContact CG2-CG 4.4Å; T184-Q186 PolarHBondContact O-N 2.71Å; Q186-I188 VanDerWaalsContact C-N 3.31Å; Q186-I188 PolarHBondContact O-N 3.41Å
187C32.7Very low34.9Very low116 Ų116133.9 Ų133.978%0.78475%0.748SS**  trans-62.197163.9-82.20000108.1N185 T189N185-C187 PolarHBondContact O-N 2.89Å; C187-T189 PolarHBondContact O-N 2.76Å
188I33.5Very low35.2Very low149 Ų149134.2 Ų134.276%0.76475%0.75SS**  trans-71.4100.4170-55.2173.2000106.3Q186 S190Q186-I188 VanDerWaalsContact C-N 3.31Å; Q186-I188 PolarHBondContact O-N 3.41Å; I188-S190 VanDerWaalsContact C-N 3.3Å; I188-S190 PolarHBondContact O-N 2.78Å
189T36.3Very low35.3Very low126 Ų126132.1 Ų132.177%0.77374%0.743SS**  trans-7193.2165.4-48.10000107.3C187 K191C187-T189 PolarHBondContact O-N 2.76Å; T189-K191 PolarHBondContact O-N 2.73Å
190S36.4Very low35.3Very low103 Ų103133.7 Ų133.772%0.7275%0.746SS**  trans-60.4107.2169.843.10000108.2I188 S192I188-S190 VanDerWaalsContact C-N 3.3Å; I188-S190 PolarHBondContact O-N 2.78Å; S190-S192 PolarHBondContact O-N 2.7Å; S190-S192 VanDerWaalsContact O-N 3.12Å
191K36Very low35.8Very low193 Ų193134.2 Ų134.284%0.83974%0.738SS**  trans-57.5119.7168.8-73.2-177.7178.71780106.9T189 I193T189-K191 PolarHBondContact O-N 2.73Å; K191-I193 PolarHBondContact O-N 3.16Å
192S39.7Very low35.7Very low105 Ų105134.3 Ų134.373%0.73474%0.739SS**  trans-52.4113.2170.3177.10000107.6S190 Q194S190-S192 PolarHBondContact O-N 2.7Å; S190-S192 VanDerWaalsContact O-N 3.12Å; S192-Q194 PolarHBondContact O-N 3.34Å
193I35.3Very low35.7Very low156 Ų156139.5 Ų139.580%0.875%0.749SS**  trans-68.296.5165.1-60.5169.1000103.2K191 S195K191-I193 PolarHBondContact O-N 3.16Å; I193-S195 PolarHBondContact O-N 2.86Å
194Q38.8Very low35.7Very low174 Ų174139.4 Ų139.481%0.81375%0.748SS**  trans-59.393168.6-129.5173.611.400105.5S192 K196S192-Q194 PolarHBondContact O-N 3.34Å; Q194-K196 PolarHBondContact O-N 2.7Å
195S34.1Very low36.1Very low81 Ų81140.1 Ų140.157%0.56676%0.755SS**  trans-55.4115.4171.6174.90000105.5I193 H197I193-S195 PolarHBondContact O-N 2.86Å; S195-H197 PolarHBondContact O-N 3.19Å
196K37.8Very low36.2Very low195 Ų195139.6 Ų139.685%0.84875%0.752SS**  trans-66.171.3168.6-71.2177.4177.6177.70107.5Q194 T198Q194-K196 PolarHBondContact O-N 2.7Å; K196-T198 PolarHBondContact O-N 3.07Å
197H38.1Very low36.1Very low158 Ų158136.6 Ų136.673%0.73175%0.748SS**  trans-74.487.7152.1-92.1-65.8000105.9S195 T199S195-H197 PolarHBondContact O-N 3.19Å; H197-T199 PolarHBondContact O-N 2.71Å
198T33.1Very low36.2Very low119 Ų119138.2 Ų138.273%0.7375%0.747SS**  trans-60.380.6159.6-45.20000106.7K196K196-T198 PolarHBondContact O-N 3.07Å
199T37.6Very low36.2Very low92 Ų92136.7 Ų136.756%0.56475%0.745SS**  trans-101.9103.4163.3-43.10000105.1H197 I201H197-T199 PolarHBondContact O-N 2.71Å; T199-I201 HydrophobicContact CG2-CD1 3.78Å; T199-I201 HydrophobicContact CG2-CG1 3.49Å; T199-I201 VanDerWaalsContact CG2-CG1 3.49Å; T199-I201 PolarHBondContact O-N 2.95Å
200D33.6Very low36.2Very low156 Ų156136.8 Ų136.883%0.83475%0.746SS**  trans-56.983164.7-88.8-41.6000108.5
201I40.2Very low36.3Very low135 Ų135137.3 Ų137.369%0.69275%0.749SS**  trans-105.394.4169.3-48.5-178.2000106.3T199T199-I201 HydrophobicContact CG2-CD1 3.78Å; T199-I201 HydrophobicContact CG2-CG1 3.49Å; T199-I201 VanDerWaalsContact CG2-CG1 3.49Å; T199-I201 PolarHBondContact O-N 2.95Å
202T36Very low36.5Very low124 Ų124130.6 Ų130.676%0.76174%0.735SS**  trans-0.1115.8154.8-31.30000114.3N204T202-N204 PolarHBondContact O-N 2.8Å
203K36.4Very low36.6Very low206 Ų206129.9 Ų129.990%0.89673%0.73SS**  trans-39.799.2170.5-69.3173.9178176.20111.1
204N34.6Very low37.1Very low128 Ų128128.6 Ų128.668%0.68473%0.725SS**  trans-105103.3160.7-152.5-8.7000106.9T202 N206 S207T202-N204 PolarHBondContact O-N 2.8Å; N204-N206 PolarHBondContact O-N 3.38Å; N204-S207 PolarHBondContact O-N 2.64Å
205P40.3Very low37.4Very low120 Ų120126.5 Ų126.578%0.77972%0.719SS**THydrogen-bonded Turntrans-683.8-168.224.4-32.4000115.2
206N38.1Very low37.6Very low142 Ų142127.2 Ų127.276%0.75972%0.716SS**THydrogen-bonded Turntrans-106.47.4-179.5-68.3-2.9000114.5N204 I208N204-N206 PolarHBondContact O-N 3.38Å; N206-I208 PolarHBondContact O-N 2.92Å; N206-I208 VanDerWaalsContact O-N 3.11Å
207S28.5Very low38Very low91 Ų91122.9 Ų122.964%0.63671%0.711SS**  trans-82.192.7175.2-167.10000110.2N204 T209N204-S207 PolarHBondContact O-N 2.64Å; S207-T209 VanDerWaalsContact C-N 3.28Å; S207-T209 PolarHBondContact O-N 3.44Å
208I34.9Very low38.1Very low150 Ų150124.1 Ų124.177%0.76971%0.71SS**  trans-67.194163.8-59.5171.5000105.8N206 T210N206-I208 PolarHBondContact O-N 2.92Å; N206-I208 VanDerWaalsContact O-N 3.11Å; I208-T210 VanDerWaalsContact C-N 3.28Å; I208-T210 PolarHBondContact O-N 3.15Å
209T33.7Very low38.3Very low117 Ų117124 Ų12472%0.71871%0.713SS**  trans-68.392.916743.10000107.5S207 S211S207-T209 VanDerWaalsContact C-N 3.28Å; S207-T209 PolarHBondContact O-N 3.44Å; T209-S211 PolarHBondContact O-N 2.87Å
210T36.3Very low38.5Very low128 Ų128125.6 Ų125.679%0.78572%0.723SS**  trans-65.390.3164.7-12.50000106.5I208 G212I208-T210 VanDerWaalsContact C-N 3.28Å; I208-T210 PolarHBondContact O-N 3.15Å; T210-G212 PolarHBondContact O-N 2.91Å
211S40Very low38.8Very low113 Ų113123.9 Ų123.979%0.7972%0.718SS**  trans-70.465.7163.558.70000107.7T209 S213T209-S211 PolarHBondContact O-N 2.87Å; S211-S213 PolarHBondContact O-N 3.28Å
212G38.7Very low39.3Very low52 Ų52122.5 Ų122.554%0.53672%0.72SS.*  trans-67.891.6165.100000105.5T210 N214T210-G212 PolarHBondContact O-N 2.91Å; G212-N214 PolarHBondContact O-N 3.21Å; G212-N214 PolarHBondContact O-OD1 2.77Å
213S42.3Very low40.1Very low91 Ų91126 Ų12664%0.63673%0.725SS**  trans-63.880.6166.5-1610000106.5S211 N215S211-S213 PolarHBondContact O-N 3.28Å; S213-N215 PolarHBondContact O-N 3.12Å; S213-N215 PolarHBondContact OG-OD1 3Å
214N46Very low40.5Very low128 Ų128126.6 Ų126.668%0.68475%0.745SS**  trans-65.781162.441.6-12.5000105.9G212 N216G212-N214 PolarHBondContact O-N 3.21Å; G212-N214 PolarHBondContact O-OD1 2.77Å; N214-N216 PolarHBondContact O-N 3.3Å
215N44.5Very low40.7Very low130 Ų130126.5 Ų126.570%0.69575%0.748SS**  trans-64.666.9168.7-65.4-19.9000107.9S213 S217S213-N215 PolarHBondContact O-N 3.12Å; S213-N215 PolarHBondContact OG-OD1 3Å; N215-S217 PolarHBondContact O-N 3.11Å
216N39.4Very low40.8Very low96 Ų96126.8 Ų126.851%0.51375%0.747SS.*  trans-75.585.6168-71.3-0.6000105.7N214 Y218N214-N216 PolarHBondContact O-N 3.3Å; N216-Y218 HydrophobicContact CB-CD2 4.43Å; N216-Y218 HydrophobicContact CB-CE1 4.44Å; N216-Y218 HydrophobicContact CB-CE2 3.63Å; N216-Y218 PolarHBondContact ND2-OH 3.34Å; N216-Y218 VanDerWaalsContact O-CD2 3.31Å; N216-Y218 WeakPolarHBondContact O-CD2 3.29Å; N216-Y218 WeakPolarHBondContact O-CE2 3.28Å; N216-Y218 PolarHBondContact O-N 3.23Å
217S45Very low40.9Very low104 Ų104126 Ų12673%0.72775%0.746SS**  trans-74.3112.4166.557.70000107.8N215N215-S217 PolarHBondContact O-N 3.11Å
218Y39.9Very low41.7Very low184 Ų184128.1 Ų128.172%0.72275%0.752SS**PPolyproline II helixtrans-92.8120.7168.9-53.8-84.8000107.6N216N216-Y218 HydrophobicContact CB-CD2 4.43Å; N216-Y218 HydrophobicContact CB-CE1 4.44Å; N216-Y218 HydrophobicContact CB-CE2 3.63Å; N216-Y218 PolarHBondContact ND2-OH 3.34Å; N216-Y218 VanDerWaalsContact O-CD2 3.31Å; N216-Y218 WeakPolarHBondContact O-CD2 3.29Å; N216-Y218 WeakPolarHBondContact O-CE2 3.28Å; N216-Y218 PolarHBondContact O-N 3.23Å
219C38Very low42.1Very low116 Ų116126.7 Ų126.778%0.78475%0.751SS**PPolyproline II helixtrans-87.4119.3171.4-68.20000108.7
220T43Very low42.6Very low127 Ų127127.3 Ų127.378%0.77975%0.754SS**PPolyproline II helixtrans-91.9123.716952.50000109.1
221V38.4Very low43.1Very low120 Ų120127.3 Ų127.373%0.72775%0.751SS**PPolyproline II helixtrans-89.8123.3172.7-164.10000107.5
222S50.7Low43.3Very low106 Ų106128.4 Ų128.474%0.74175%0.748SS**PPolyproline II helixtrans-94.3134.9171.2-61.50000109
223F52.6Low43.7Very low198 Ų198134.8 Ų134.887%0.86877%0.766SS**PPolyproline II helixtrans-86.3134.7171.4-57.6-86.8000108.5
224V44.7Very low43.8Very low217 Ų217138.7 Ų138.7100%1.31578%0.778SS**  trans-94.90168.4179.50000108.2

Retrieved 224 of 224 residues in 324.7 ms (Link to these results)