A0A061AEC4_CAEEL Loading...

EGF-like domain-containing protein

AlphaFold DB , UniProt , Accession A0A061AEC4, Species CAEEL (Caenorhabditis elegans), Gene lin-3, Length 464 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
1M53.1Low59.1Low213 Ų213131.8 Ų131.8100%1.04964%0.635SS**  0-65.20-66-162.9-85.100114K3 M4 L5M1-K3 VanDerWaalsContact C-N 3.3Å; M1-K3 PolarHBondContact O-N 3.27Å; M1-M4 WeakPolarHBondContact O-CA 3.26Å; M1-M4 WeakPolarHBondContact O-CB 3.49Å; M1-M4 PolarHBondContact O-N 2.99Å; M1-L5 PolarHBondContact O-N 3.35Å; M1-L5 VanDerWaalsContact O-N 3.11Å
2R48.9Very low58.8Low222 Ų222133.2 Ų133.284%0.83865%0.647SS**Hα-helixtrans-48.1-39.5-172.2-147.1175.8-168.7177.43115.9L5 L6R2-L5 PolarHBondContact O-N 2.97Å; R2-L6 PolarHBondContact O-N 3.04Å; R2-L6 VanDerWaalsContact O-N 3.13Å
3K52.8Low58Low185 Ų185135.4 Ų135.480%0.80465%0.652SS**Hα-helixtrans-69.3-34.4174.8-68.2-169.6176.8-173.80114.5M1 F7M1-K3 VanDerWaalsContact C-N 3.3Å; M1-K3 PolarHBondContact O-N 3.27Å; K3-F7 PolarHBondContact O-N 3.26Å
4M56.5Low57.2Low134 Ų134135.1 Ų135.166%0.6665%0.651SS**Hα-helixtrans-68.4-41.2172.8-85.9-69.7-171.800111.1M1 L6 F7 C8M1-M4 WeakPolarHBondContact O-CA 3.26Å; M1-M4 WeakPolarHBondContact O-CB 3.49Å; M1-M4 PolarHBondContact O-N 2.99Å; M4-L6 VanDerWaalsContact C-N 3.32Å; M4-L6 PolarHBondContact O-N 3.23Å; M4-F7 WeakPolarHBondContact O-CB 3.06Å; M4-F7 PolarHBondContact O-N 2.85Å; M4-F7 VanDerWaalsContact O-N 3.12Å; M4-C8 PolarHBondContact O-N 3.08Å; M4-C8 PolarHBondContact O-SG 3.26Å; M4-C8 VanDerWaalsContact O-SG 3.39Å
5L61Low56.7Low115 Ų115132.7 Ų132.760%0.60265%0.651SS**Hα-helixtrans-60.3-43.5175.8-158.996.5000111.2M1 R2 F7 C8 I9M1-L5 PolarHBondContact O-N 3.35Å; M1-L5 VanDerWaalsContact O-N 3.11Å; R2-L5 PolarHBondContact O-N 2.97Å; L5-F7 VanDerWaalsContact C-N 3.34Å; L5-F7 PolarHBondContact O-N 3.15Å; L5-C8 PolarHBondContact O-N 2.92Å; L5-I9 HydrophobicContact CD2-CD1 3.97Å; L5-I9 HydrophobicContact CG-CD1 4.13Å; L5-I9 WeakPolarHBondContact O-CB 3.4Å; L5-I9 WeakPolarHBondContact O-CD1 3.28Å; L5-I9 VanDerWaalsContact O-CG1 3.24Å; L5-I9 WeakPolarHBondContact O-CG1 3.45Å; L5-I9 PolarHBondContact O-N 3.44Å
6L64.4Low56.1Low100 Ų100134.3 Ų134.352%0.52466%0.656SS.*Hα-helixtrans-61.8-37.2173.5-79.5163.8000113R2 M4 I9 L10R2-L6 PolarHBondContact O-N 3.04Å; R2-L6 VanDerWaalsContact O-N 3.13Å; M4-L6 VanDerWaalsContact C-N 3.32Å; M4-L6 PolarHBondContact O-N 3.23Å; L6-I9 PolarHBondContact O-N 3.45Å; L6-L10 WeakPolarHBondContact O-CB 3.27Å; L6-L10 WeakPolarHBondContact O-CG 3.22Å; L6-L10 PolarHBondContact O-N 3.19Å
7F68.2Low55Low124 Ų124137.8 Ų137.854%0.54467%0.668SS.*Hα-helixtrans-67.1-44.8176.3-169.6-103.5000111.9K3 M4 L5 I9 L10 L11K3-F7 PolarHBondContact O-N 3.26Å; M4-F7 WeakPolarHBondContact O-CB 3.06Å; M4-F7 PolarHBondContact O-N 2.85Å; M4-F7 VanDerWaalsContact O-N 3.12Å; L5-F7 VanDerWaalsContact C-N 3.34Å; L5-F7 PolarHBondContact O-N 3.15Å; F7-I9 VanDerWaalsContact C-N 3.32Å; F7-I9 PolarHBondContact O-N 2.89Å; F7-L10 PolarHBondContact O-N 3.2Å; F7-L11 HydrophobicContact CD1-CD1 3.98Å; F7-L11 HydrophobicContact CE1-CD1 3.74Å; F7-L11 HydrophobicContact CE1-CG 4.42Å; F7-L11 HydrophobicContact CZ-CD1 4.46Å; F7-L11 WeakPolarHBondContact O-CG 3.32Å; F7-L11 PolarHBondContact O-N 3.13Å
8C56.3Low54.5Low69 Ų69137.1 Ų137.147%0.46667%0.673SS.*Hα-helixtrans-63.9-35.9174.4-61.70000112.6M4 L5 L11 L12M4-C8 PolarHBondContact O-N 3.08Å; M4-C8 PolarHBondContact O-SG 3.26Å; M4-C8 VanDerWaalsContact O-SG 3.39Å; L5-C8 PolarHBondContact O-N 2.92Å; C8-L11 PolarHBondContact O-N 3.27Å; C8-L12 WeakPolarHBondContact O-CG 3.37Å; C8-L12 PolarHBondContact O-N 2.95Å
9I68.9Low53.9Low72 Ų72137 Ų13737%0.36968%0.681SS.*Hα-helixtrans-68.5-41.6174.4-69.4165000110.8L5 L6 F7 L11 L12 F13L5-I9 HydrophobicContact CD2-CD1 3.97Å; L5-I9 HydrophobicContact CG-CD1 4.13Å; L5-I9 WeakPolarHBondContact O-CB 3.4Å; L5-I9 WeakPolarHBondContact O-CD1 3.28Å; L5-I9 VanDerWaalsContact O-CG1 3.24Å; L5-I9 WeakPolarHBondContact O-CG1 3.45Å; L5-I9 PolarHBondContact O-N 3.44Å; L6-I9 PolarHBondContact O-N 3.45Å; F7-I9 VanDerWaalsContact C-N 3.32Å; F7-I9 PolarHBondContact O-N 2.89Å; I9-L11 VanDerWaalsContact C-N 3.32Å; I9-L11 PolarHBondContact O-N 3.29Å; I9-L12 PolarHBondContact O-N 2.84Å; I9-L12 VanDerWaalsContact O-N 3.1Å; I9-F13 HydrophobicContact CG2-CD2 3.87Å; I9-F13 HydrophobicContact CG2-CE2 4.2Å; I9-F13 WeakPolarHBondContact O-CD2 3.47Å; I9-F13 PolarHBondContact O-N 3.31Å
10L59.2Low52.8Low102 Ų102135.5 Ų135.553%0.53468%0.684SS.*Hα-helixtrans-60.3-39.5174.7-85.5162.7000112.5L6 F7 L12 F13 M14L6-L10 WeakPolarHBondContact O-CB 3.27Å; L6-L10 WeakPolarHBondContact O-CG 3.22Å; L6-L10 PolarHBondContact O-N 3.19Å; F7-L10 PolarHBondContact O-N 3.2Å; L10-L12 VanDerWaalsContact C-N 3.29Å; L10-L12 PolarHBondContact O-N 3.01Å; L10-F13 PolarHBondContact O-N 3.07Å; L10-M14 WeakPolarHBondContact O-CG 3.27Å; L10-M14 PolarHBondContact O-N 2.97Å
11L60.8Low52.4Low114 Ų114137.4 Ų137.460%0.59769%0.691SS**Hα-helixtrans-65.5-30.1174.3-70.5171.3000113.1F7 C8 I9F7-L11 HydrophobicContact CD1-CD1 3.98Å; F7-L11 HydrophobicContact CE1-CD1 3.74Å; F7-L11 HydrophobicContact CE1-CG 4.42Å; F7-L11 HydrophobicContact CZ-CD1 4.46Å; F7-L11 WeakPolarHBondContact O-CG 3.32Å; F7-L11 PolarHBondContact O-N 3.13Å; C8-L11 PolarHBondContact O-N 3.27Å; I9-L11 VanDerWaalsContact C-N 3.32Å; I9-L11 PolarHBondContact O-N 3.29Å
12L54.8Low51.8Low148 Ų148132 Ų13278%0.77567%0.674SS**Hα-helixtrans-79.7-17.2174.1-71.1168.4000113.5C8 I9 L10C8-L12 WeakPolarHBondContact O-CG 3.37Å; C8-L12 PolarHBondContact O-N 2.95Å; I9-L12 PolarHBondContact O-N 2.84Å; I9-L12 VanDerWaalsContact O-N 3.1Å; L10-L12 VanDerWaalsContact C-N 3.29Å; L10-L12 PolarHBondContact O-N 3.01Å
13F49.3Very low51.3Low162 Ų162127.7 Ų127.771%0.71168%0.677SS**THydrogen-bonded Turntrans-104.919.7-179.4-89.4-85.7000113.7I9 L10 P15I9-F13 HydrophobicContact CG2-CD2 3.87Å; I9-F13 HydrophobicContact CG2-CE2 4.2Å; I9-F13 WeakPolarHBondContact O-CD2 3.47Å; I9-F13 PolarHBondContact O-N 3.31Å; L10-F13 PolarHBondContact O-N 3.07Å; F13-P15 VanDerWaalsContact C-CD 3.47Å; F13-P15 WeakPolarHBondContact O-CD 3.23Å
14M46.9Very low50.7Low131 Ų131126.7 Ų126.765%0.64568%0.679SS**  trans-102.487.2172.2-78.8-70.4159.500111.8L10L10-M14 WeakPolarHBondContact O-CG 3.27Å; L10-M14 PolarHBondContact O-N 2.97Å
15P49.3Very low49.7Very low99 Ų99125.6 Ų125.664%0.64368%0.682SS**  trans-65.8165.315133.6-33.7000109.2F13F13-P15 VanDerWaalsContact C-CD 3.47Å; F13-P15 WeakPolarHBondContact O-CD 3.23Å
16Q47.2Very low48.4Very low158 Ų158125.7 Ų125.774%0.73869%0.692SS**  trans74.152.8-178.2-47.4-63-8.300116.4
17F38Very low47.5Very low195 Ų195132.4 Ų132.486%0.85571%0.711SS**  trans-133.450.2148.4-100.4-71000112.1
18T44.5Very low46Very low124 Ų124135.8 Ų135.876%0.76173%0.726SS**  trans-109.651.1174.751.70000112.1
19V43Very low45.2Very low136 Ų136142 Ų14282%0.82474%0.739SS**  trans-146.6103160.9-179.10000109.7
20S33.4Very low43.4Very low106 Ų106147.2 Ų147.274%0.74176%0.762SS**  trans-165.359.8159.159.70000110.5S22S20-S22 VanDerWaalsContact C-N 3.27Å; S20-S22 PolarHBondContact O-N 3.4Å
21E43.8Very low42Very low176 Ų176150.5 Ų150.582%0.82278%0.775SS**  trans-71.873.6171.7-73.2-167.3102.400111.5R29E21-R29 IonicContact OE1-NH2 3.77Å
22S41.1Very low40.9Very low100 Ų100157.2 Ų157.270%0.69979%0.792SS**  trans-162.660.9178.149.80000115.3S20S20-S22 VanDerWaalsContact C-N 3.27Å; S20-S22 PolarHBondContact O-N 3.4Å
23C38Very low39.6Very low132 Ų132155.6 Ų155.689%0.89279%0.793SS**  trans-162.643.7160.5-120.30000114.7
24L39.2Very low38.7Very low164 Ų164152.3 Ų152.386%0.85980%0.796SS**SBendtrans-114.1138.9167-70.3175.7000109.6
25P35.6Very low38.4Very low110 Ų110151.6 Ų151.671%0.71480%0.801SS**  trans-66148.7-175.526-33.9000112.6W27P25-W27 PolarHBondContact O-N 3.13Å
26S34Very low37.2Very low118 Ų118156 Ų15683%0.82581%0.813SS**G310 helixtrans-69.9-0.2-159.8500000117.3F28S26-F28 PolarHBondContact O-N 3.03Å
27W45.9Very low36.4Very low241 Ų241156 Ų15691%0.91381%0.813SS**G310 helixtrans-66-23.5179.4-169-81.7000113.4P25 R29P25-W27 PolarHBondContact O-N 3.13Å; W27-R29 VanDerWaalsContact C-N 3.3Å; W27-R29 PolarHBondContact O-N 2.77Å
28F36.8Very low35.9Very low195 Ų195155.1 Ų155.186%0.85582%0.816SS**G310 helixtrans-827.1-171.3-116.2-81.2000116S26S26-F28 PolarHBondContact O-N 3.03Å
29R40Very low35.1Very low200 Ų200156.6 Ų156.676%0.75582%0.815SS**  trans-140.989.6175.8-66.9-168.5-173.8-147.56.7112.1E21 W27E21-R29 IonicContact OE1-NH2 3.77Å; W27-R29 VanDerWaalsContact C-N 3.3Å; W27-R29 PolarHBondContact O-N 2.77Å
30Q31.2Very low34.3Very low181 Ų181155.5 Ų155.585%0.84681%0.813SS**  trans-144.8147.2147.5-164.159.230.800108.6
31E29.9Very low34Very low171 Ų171154.7 Ų154.780%0.79981%0.813SS**  trans-95.5179.7-159.7-62.5-175.2109.200115.1S33E31-S33 PolarHBondContact O-N 3.42Å
32R37Very low33.3Very low255 Ų255154.7 Ų154.796%0.96281%0.813SS**  trans-56.7121.1165.8-67.6167166.4162.6-7.7110.8
33S27.1Very low32.6Very low113 Ų113156.8 Ų156.879%0.7982%0.816SS**  trans-151.3104.2156.957.80000111.6E31E31-S33 PolarHBondContact O-N 3.42Å
34A30.8Very low32.1Very low94 Ų94155.4 Ų155.478%0.77782%0.815SS**  trans-83.2163.5141.500000107.5
35P40.2Very low31.7Very low116 Ų116152.4 Ų152.475%0.75381%0.813SS**  cis-125.5-179.88.740.5-24.7000113.3
36E24.9Very low31.4Very low190 Ų190156.1 Ų156.189%0.88882%0.821SS**  -172.8169.2106-95.7-159.8123.700111.5
37Q30.8Very low31.2Very low158 Ų158157.8 Ų157.874%0.73882%0.821SS**  trans-90.9150.8-177.8-59.4175.22.600110.8
38L26.9Very low30.3Very low177 Ų177151.5 Ų151.593%0.92781%0.814SS**  trans-138.2112.7149.6-115.7169.3000109.2
39Q28.1Very low29.8Very low156 Ų156146.1 Ų146.173%0.72981%0.813SS**  trans-95125.8175.3-66177.8-11.200109.5
40S25.5Very low29.4Very low112 Ų112142.5 Ų142.578%0.78382%0.819SS**  trans-174.8131.6148.6-89.50000105.5
41A28.2Very low29.4Very low90 Ų90140.5 Ų140.574%0.74482%0.818SS**  59.1131.964.100000110.9
42E27.4Very low30.3Very low175 Ų175137.8 Ų137.882%0.81882%0.816SS**  cis-148.5172.333.1-159.4165.7136.500114.3
43N26.4Very low30.7Very low144 Ų144130.6 Ų130.677%0.7780%0.802SS**  trans-50.5148.7-174-46.5-63000117.6
44A28.8Very low30.8Very low104 Ų104132.5 Ų132.586%0.8680%0.803SS**  trans-152.7135.1134.200000109.2
45A29.4Very low30.8Very low101 Ų101135 Ų13584%0.83581%0.809SS**  trans-154.5133-179.500000112.4
46E29.3Very low30.5Very low187 Ų187134.3 Ų134.387%0.87481%0.807SS**  trans-155.3120165.5-99.1158.5-166.700105
47N31Very low30.9Very low153 Ų153134.9 Ų134.982%0.81880%0.801SS**  54.1135.874-80.33.1000114.2
48S27.8Very low30.8Very low110 Ų110135.3 Ų135.377%0.76981%0.808SS**  cis-166.3161-10.1-87.50000109.5
49G24.8Very low31.1Very low81 Ų81130.7 Ų130.784%0.83579%0.791SS**  trans179.7135.3167.800000114.4
50S31.5Very low31.3Very low125 Ų125130.5 Ų130.587%0.87479%0.794SS**  trans-139.7164.6-170.8540000114.5
51V31.7Very low31.6Very low139 Ų139134 Ų13484%0.84280%0.798SS**  trans-142146.5-164.3163.40000107.4
52P48.7Very low31.9Very low114 Ų114135.1 Ų135.174%0.7480%0.796SS**  cis-130.4-146.745.334.7-9.4000111.6
53P45.9Very low32.4Very low104 Ų104134.8 Ų134.868%0.67580%0.8SS**  cis-144.4168.10.244.1-23.7000120.8
54D29.5Very low32.7Very low152 Ų152136.1 Ų136.181%0.81380%0.801SS**  trans42127.6139.3-52.3-13.9000125.7
55T30.6Very low33Very low147 Ų147138.2 Ų138.290%0.90280%0.796SS**  trans-146158.2131.2-25.80000111.6
56S33.1Very low33.1Very low102 Ų102137.1 Ų137.171%0.71380%0.795SS**  trans-136.3-177.717259.30000109.3
57R33.8Very low33.3Very low202 Ų202135.9 Ų135.976%0.76279%0.794SS**  cis-165.8160.622.5-166.9-168.2-172.9109.9-3.7109.5
58N29.6Very low33.3Very low166 Ų166132.9 Ų132.989%0.88879%0.791SS**  trans-164.7164.1139.3-103.1-8.6000112.2
59S31.7Very low33.8Very low81 Ų81133.9 Ų133.957%0.56679%0.794SS**  trans-163.9146.3-163.453.30000114
60L32.5Very low34Very low151 Ų151135.7 Ų135.779%0.79179%0.794SS**  trans58.8131.8163.4-89.875.9000118.5
61E32.8Very low34Very low187 Ų187135 Ų13587%0.87479%0.79SS**  -150.5154.2103.1-119171.9-159.200110.8
62T34.2Very low33.9Very low113 Ų113134.8 Ų134.869%0.69379%0.789SS**  trans-127146.7-176.147.30000109.4
63N36.5Very low33Very low168 Ų168134.7 Ų134.790%0.89879%0.791SS**  trans-140.4154.3163.8-86.9-62.3000110.7
64E34.1Very low32Very low172 Ų172136.2 Ų136.280%0.80480%0.799SS**  trans-132131.8-157.8-173.9-179.6160.400111.1
65I35.3Very low32.7Very low148 Ų148134.1 Ų134.176%0.75979%0.793SS**  trans37129.2155.8-59.9169.1000119.4
66G31.6Very low32.8Very low77 Ų77136.5 Ų136.579%0.79479%0.794SS**  trans-137.1130.3160.900000111.6
67D31.9Very low32.5Very low161 Ų161137.7 Ų137.786%0.86180%0.797SS**PPolyproline II helixtrans-78.3164.6-175.5-92.5-55.9000114.9
68A31.6Very low33.3Very low91 Ų91133.5 Ų133.575%0.75280%0.796SS**PPolyproline II helixtrans-70.7145.2-176.300000114.3
69P38.7Very low33.5Very low130 Ų130132.3 Ų132.384%0.84480%0.795SS**PPolyproline II helixtrans-75.8126.1175.130.9-33.7000111.8
70S29.6Very low33.6Very low119 Ų119136.3 Ų136.383%0.83281%0.805SS**  trans-105.3119.1170.4-174.20000110.1
71S31.5Very low33.5Very low112 Ų112135.8 Ų135.878%0.78381%0.808SS**  trans-129.198.8-175.2610000112.3
72T28Very low33.7Very low133 Ų133132.1 Ų132.182%0.81680%0.798SS**  trans-100.5107.2174.4-60.20000110.7
73S30Very low33.9Very low113 Ų113134.5 Ų134.579%0.7981%0.805SS**  trans-155.4115.316357.60000111.4
74T26.3Very low34.2Very low136 Ų136131.4 Ų131.483%0.83480%0.797SS**  trans-90-179.1175.4-2.90000110.7
75P43.5Very low34.6Very low108 Ų108130.5 Ų130.570%0.70179%0.792SS**  -114.8161.3-126.841.4-29.4000115.2
76E32.6Very low35.1Very low197 Ų197128.6 Ų128.692%0.92180%0.799SS**  trans-134.6157.4155.3-70.1-162.3159.100111.3
77T26.3Very low36Very low127 Ų127127.4 Ų127.478%0.77979%0.787SS**  trans-131.3-170.7-161.8-36.80000109.6
78P51.5Low37Very low113 Ų113125.1 Ų125.173%0.73477%0.774SS**  -95.7175.9-9039.6-27.5000113.9
79T32.6Very low38.1Very low141 Ų141125.5 Ų125.587%0.86576%0.764SS**  trans-145.3143.6139.7-26.40000111.4
80E33.9Very low39.1Very low166 Ų166126.8 Ų126.878%0.77676%0.759SS**  trans-72.5156.3172.4-58.4161102.100111.7
81T31.8Very low40.5Very low139 Ų139127.1 Ų127.185%0.85375%0.745SS**  -160.1117.4115.3-69.80000110.8
82T35.4Very low41.9Very low110 Ų110129.8 Ų129.868%0.67574%0.738SS**  trans-25.2135160.2-48.70000117.3
83I39.9Very low43.5Very low163 Ų163127.8 Ų127.884%0.83673%0.726SS**  -160.9151.2123.9-94.4146.5000108.2
84S41.4Very low45.3Very low103 Ų103129.3 Ų129.372%0.7272%0.72SS**  trans-112.6117.3-166.155.40000113.4
85E43.1Very low47.4Very low153 Ų153129 Ų12972%0.71571%0.709SS**  trans-130.446.3165.1-67.7-166.9137.500111.6G87 D88E85-G87 PolarHBondContact O-N 3.26Å; E85-D88 PolarHBondContact O-N 2.88Å
86A47.1Very low48.7Very low109 Ų109127 Ų12790%0.90170%0.695SS**THydrogen-bonded Turntrans-66.280.7172.400000111
87G49.8Very low50.4Low52 Ų52119.8 Ų119.854%0.53667%0.669SS.*THydrogen-bonded Turntrans-178.5-36.9-179.200000113.6E85E85-G87 PolarHBondContact O-N 3.26Å
88D52.6Low52.6Low112 Ų112119.8 Ų119.860%0.59966%0.658SS**Hα-helixtrans-88-29.8174.1-96.1-43.7000112.6E85 E90 K91 R92E85-D88 PolarHBondContact O-N 2.88Å; D88-E90 VanDerWaalsContact C-N 3.34Å; D88-E90 PolarHBondContact O-N 3.31Å; D88-K91 PolarHBondContact O-N 3.48Å; D88-R92 VanDerWaalsContact O-CB 3.23Å; D88-R92 WeakPolarHBondContact O-CB 3.14Å; D88-R92 PolarHBondContact O-N 2.92Å
89D54.9Low53.5Low99 Ų99119.2 Ų119.253%0.52965%0.646SS.*Hα-helixtrans-63-34.1179.4-75.9-37.6000113.7R92 T93D89-R92 PolarHBondContact O-N 3.49Å; D89-T93 WeakPolarHBondContact O-CB 3.35Å; D89-T93 WeakPolarHBondContact O-CG2 3.39Å; D89-T93 PolarHBondContact O-N 3.02Å; D89-T93 PolarHBondContact O-OG1 3.47Å
90E58.8Low55.2Low158 Ų158117.7 Ų117.774%0.73863%0.632SS**Hα-helixtrans-66.9-47.9177.8-171.6168.1-152.700110.9D88 R92 T93 E94D88-E90 VanDerWaalsContact C-N 3.34Å; D88-E90 PolarHBondContact O-N 3.31Å; E90-R92 VanDerWaalsContact C-N 3.35Å; E90-R92 PolarHBondContact O-N 3.14Å; E90-T93 PolarHBondContact O-N 3.05Å; E90-T93 PolarHBondContact O-OG1 3.11Å; E90-T93 VanDerWaalsContact O-OG1 3.06Å; E90-E94 WeakPolarHBondContact O-CB 3.28Å; E90-E94 PolarHBondContact O-N 3.42Å
91K59.4Low57.1Low126 Ų126115 Ų11555%0.54862%0.622SS.*Hα-helixtrans-64.6-39.4175.2-170.3-170.6172.1-147.70112D88 E94 E95D88-K91 PolarHBondContact O-N 3.48Å; K91-E94 PolarHBondContact O-N 3.41Å; K91-E95 WeakPolarHBondContact O-CB 3.44Å; K91-E95 PolarHBondContact O-N 2.81Å
92R60.5Low59.1Low168 Ų168114 Ų11463%0.63461%0.607SS**Hα-helixtrans-68.5-35.8178.3-172.3179.2-177.3-172.61.5112.4D88 D89 E90 V96D88-R92 VanDerWaalsContact O-CB 3.23Å; D88-R92 WeakPolarHBondContact O-CB 3.14Å; D88-R92 PolarHBondContact O-N 2.92Å; D89-R92 PolarHBondContact O-N 3.49Å; E90-R92 VanDerWaalsContact C-N 3.35Å; E90-R92 PolarHBondContact O-N 3.14Å; R92-V96 WeakPolarHBondContact O-CB 3.32Å; R92-V96 VanDerWaalsContact O-CG2 3.29Å; R92-V96 WeakPolarHBondContact O-CG2 3.49Å; R92-V96 PolarHBondContact O-N 3Å
93T62Low60.7Low91 Ų91113.8 Ų113.856%0.55860%0.597SS**Hα-helixtrans-74.9-32.7174.3470000112.2D89 E90 A97D89-T93 WeakPolarHBondContact O-CB 3.35Å; D89-T93 WeakPolarHBondContact O-CG2 3.39Å; D89-T93 PolarHBondContact O-N 3.02Å; D89-T93 PolarHBondContact O-OG1 3.47Å; E90-T93 PolarHBondContact O-N 3.05Å; E90-T93 PolarHBondContact O-OG1 3.11Å; E90-T93 VanDerWaalsContact O-OG1 3.06Å; T93-A97 WeakPolarHBondContact O-CB 3.41Å; T93-A97 PolarHBondContact O-N 2.87Å
94E68.8Low61.9Low144 Ų144112 Ų11267%0.67359%0.585SS**Hα-helixtrans-64.6-42.2169.7-171.9176-144.800111.8E90 K91 A97 K98E90-E94 WeakPolarHBondContact O-CB 3.28Å; E90-E94 PolarHBondContact O-N 3.42Å; K91-E94 PolarHBondContact O-N 3.41Å; E94-A97 PolarHBondContact O-N 2.86Å; E94-K98 WeakPolarHBondContact O-CB 3.46Å; E94-K98 PolarHBondContact O-N 2.88Å
95E69.1Low63.1Low129 Ų129109.9 Ų109.960%0.60357%0.574SS**Hα-helixtrans-67.2-41.6177.6-164.7159.6-129.200112K91 K98 E99K91-E95 WeakPolarHBondContact O-CB 3.44Å; K91-E95 PolarHBondContact O-N 2.81Å; E95-K98 PolarHBondContact O-N 3.21Å; E95-E99 PolarHBondContact O-N 2.9Å
96V71Confident64.4Low68 Ų68109.3 Ų109.341%0.41257%0.571SS.*Hα-helixtrans-69.3-37.4173.11690000112.4R92 K98 E99 L100R92-V96 WeakPolarHBondContact O-CB 3.32Å; R92-V96 VanDerWaalsContact O-CG2 3.29Å; R92-V96 WeakPolarHBondContact O-CG2 3.49Å; R92-V96 PolarHBondContact O-N 3Å; V96-K98 VanDerWaalsContact C-N 3.3Å; V96-K98 PolarHBondContact O-N 2.68Å; V96-E99 PolarHBondContact O-N 2.86Å; V96-L100 HydrophobicContact CG1-CD1 4.07Å; V96-L100 WeakPolarHBondContact O-CB 3.42Å; V96-L100 WeakPolarHBondContact O-CG 3.45Å; V96-L100 PolarHBondContact O-N 3.44Å
97A68.9Low65Low44 Ų44110.5 Ų110.536%0.36455%0.553SS.*Hα-helixtrans-64.4-37.7173.700000111.2T93 E94 L100 I101T93-A97 WeakPolarHBondContact O-CB 3.41Å; T93-A97 PolarHBondContact O-N 2.87Å; E94-A97 PolarHBondContact O-N 2.86Å; A97-L100 PolarHBondContact O-N 3.43Å; A97-I101 WeakPolarHBondContact O-CD1 3.42Å; A97-I101 VanDerWaalsContact O-CG1 3.27Å; A97-I101 WeakPolarHBondContact O-CG1 3.29Å; A97-I101 PolarHBondContact O-N 2.99Å
98K72.1Confident65.5Low127 Ų127114.2 Ų114.255%0.55256%0.557SS**Hα-helixtrans-65.6-43.6172.5-170.4-178.7174.1-73.20111.9E94 E95 V96 L100 I101 E102E94-K98 WeakPolarHBondContact O-CB 3.46Å; E94-K98 PolarHBondContact O-N 2.88Å; E95-K98 PolarHBondContact O-N 3.21Å; V96-K98 VanDerWaalsContact C-N 3.3Å; V96-K98 PolarHBondContact O-N 2.68Å; K98-L100 VanDerWaalsContact C-N 3.29Å; K98-L100 PolarHBondContact O-N 3.34Å; K98-I101 PolarHBondContact O-N 3.5Å; K98-E102 IonicContact NZ-OE2 2.72Å; K98-E102 PolarHBondContact NZ-OE2 3.45Å; K98-E102 VanDerWaalsContact O-CB 3.27Å; K98-E102 WeakPolarHBondContact O-CB 3.49Å; K98-E102 PolarHBondContact O-N 2.91Å
99E71Confident65.9Low101 Ų101110.4 Ų110.447%0.47254%0.544SS..Hα-helixtrans-61.6-36.9175.5-166.9-170.4152.800112.1E95 V96 K103E95-E99 PolarHBondContact O-N 2.9Å; V96-E99 PolarHBondContact O-N 2.86Å; E99-K103 WeakPolarHBondContact O-CB 3.42Å; E99-K103 WeakPolarHBondContact O-CG 3.43Å; E99-K103 PolarHBondContact O-N 3.02Å; E99-K103 VanDerWaalsContact O-N 3.1Å; E99-K103 WeakPolarHBondContact OE1-CE 3.45Å; E99-K103 IonicContact OE1-NZ 3.93Å; E99-K103 PolarHBondContact OE1-NZ 3.41Å
100L67.7Low66.2Low110 Ų110112 Ų11258%0.57655%0.548SS*.Hα-helixtrans-66.2-47173.8-78163.6000112V96 A97 K98 E102 K103 E104V96-L100 HydrophobicContact CG1-CD1 4.07Å; V96-L100 WeakPolarHBondContact O-CB 3.42Å; V96-L100 WeakPolarHBondContact O-CG 3.45Å; V96-L100 PolarHBondContact O-N 3.44Å; A97-L100 PolarHBondContact O-N 3.43Å; K98-L100 VanDerWaalsContact C-N 3.29Å; K98-L100 PolarHBondContact O-N 3.34Å; L100-E102 VanDerWaalsContact C-N 3.33Å; L100-E102 PolarHBondContact O-N 3.49Å; L100-K103 PolarHBondContact O-N 3.5Å; L100-E104 WeakPolarHBondContact O-CB 3.34Å; L100-E104 PolarHBondContact O-N 3.19Å
101I74.3Confident66.2Low109 Ų109110.8 Ų110.856%0.55954%0.538SS*.Hα-helixtrans-65.2-36.8177.8-68.6163000111.4A97 K98 K103 E104 A105A97-I101 WeakPolarHBondContact O-CD1 3.42Å; A97-I101 VanDerWaalsContact O-CG1 3.27Å; A97-I101 WeakPolarHBondContact O-CG1 3.29Å; A97-I101 PolarHBondContact O-N 2.99Å; K98-I101 PolarHBondContact O-N 3.5Å; I101-K103 VanDerWaalsContact C-N 3.35Å; I101-E104 PolarHBondContact O-N 2.81Å; I101-A105 WeakPolarHBondContact O-CB 3.28Å; I101-A105 PolarHBondContact O-N 3.26Å
102E72.6Confident66.3Low118 Ų118111.8 Ų111.855%0.55154%0.544SS*.Hα-helixtrans-67.1-36.8177.7-162.6158172.800111K98 L100 E106K98-E102 IonicContact NZ-OE2 2.72Å; K98-E102 PolarHBondContact NZ-OE2 3.45Å; K98-E102 VanDerWaalsContact O-CB 3.27Å; K98-E102 WeakPolarHBondContact O-CB 3.49Å; K98-E102 PolarHBondContact O-N 2.91Å; L100-E102 VanDerWaalsContact C-N 3.33Å; L100-E102 PolarHBondContact O-N 3.49Å; E102-E106 WeakPolarHBondContact O-CB 3.44Å; E102-E106 PolarHBondContact O-N 3.26Å
103K69.8Low66.3Low105 Ų105109.3 Ų109.346%0.45754%0.544SS..Hα-helixtrans-76.6-33.3172.5-73.4174-175.4171.60114.2E99 L100 I101 A105 E106 Y107E99-K103 WeakPolarHBondContact O-CB 3.42Å; E99-K103 WeakPolarHBondContact O-CG 3.43Å; E99-K103 PolarHBondContact O-N 3.02Å; E99-K103 VanDerWaalsContact O-N 3.1Å; E99-K103 WeakPolarHBondContact OE1-CE 3.45Å; E99-K103 IonicContact OE1-NZ 3.93Å; E99-K103 PolarHBondContact OE1-NZ 3.41Å; L100-K103 PolarHBondContact O-N 3.5Å; I101-K103 VanDerWaalsContact C-N 3.35Å; K103-A105 VanDerWaalsContact C-N 3.33Å; K103-E106 PolarHBondContact O-N 2.89Å; K103-Y107 VanDerWaalsContact O-CB 3.27Å; K103-Y107 WeakPolarHBondContact O-CB 3.46Å; K103-Y107 PolarHBondContact O-N 3.05Å
104E64.1Low66.3Low126 Ų126111.2 Ų111.259%0.58955%0.546SS*.Hα-helixtrans-65-41.4173.9-169.3166.6-149.100109.7L100 I101 Y107 E108L100-E104 WeakPolarHBondContact O-CB 3.34Å; L100-E104 PolarHBondContact O-N 3.19Å; I101-E104 PolarHBondContact O-N 2.81Å; E104-Y107 PolarHBondContact O-N 3.1Å; E104-E108 WeakPolarHBondContact O-CB 3.46Å; E104-E108 WeakPolarHBondContact O-CG 3.04Å; E104-E108 PolarHBondContact O-N 3.41Å
105A67.7Low66.1Low59 Ų59109.6 Ų109.649%0.48854%0.537SS..Hα-helixtrans-70.3-33.2172.700000114I101 K103 G109I101-A105 WeakPolarHBondContact O-CB 3.28Å; I101-A105 PolarHBondContact O-N 3.26Å; K103-A105 VanDerWaalsContact C-N 3.33Å; A105-G109 PolarHBondContact O-N 3.44Å
106E69.9Low65.8Low140 Ų140107 Ų10765%0.65453%0.53SS*.Hα-helixtrans-64.5-42.7171.6-172.7172-149.300110.8E102 K103 G109 E110E102-E106 WeakPolarHBondContact O-CB 3.44Å; E102-E106 PolarHBondContact O-N 3.26Å; K103-E106 PolarHBondContact O-N 2.89Å; E106-G109 PolarHBondContact O-N 3.43Å; E106-E110 PolarHBondContact O-N 3.34Å
107Y59.3Low65.6Low134 Ų134109.4 Ų109.453%0.52554%0.54SS..Hα-helixtrans-72.8-40179-165.6-101.2000113K103 E104 G109 E110 Y111K103-Y107 VanDerWaalsContact O-CB 3.27Å; K103-Y107 WeakPolarHBondContact O-CB 3.46Å; K103-Y107 PolarHBondContact O-N 3.05Å; E104-Y107 PolarHBondContact O-N 3.1Å; Y107-G109 VanDerWaalsContact C-N 3.28Å; Y107-G109 PolarHBondContact O-N 3.22Å; Y107-E110 PolarHBondContact O-N 3.37Å; Y107-Y111 HydrophobicContact CD1-CD2 4.09Å; Y107-Y111 HydrophobicContact CD1-CE2 4.12Å; Y107-Y111 AromaticContact CE1-CD2 3.87Å; Y107-Y111 HydrophobicContact CE1-CD2 3.87Å; Y107-Y111 AromaticContact CE1-CE2 3.44Å; Y107-Y111 HydrophobicContact CE1-CE2 3.44Å; Y107-Y111 VanDerWaalsContact CE1-CE2 3.44Å; Y107-Y111 HydrophobicContact CE2-CE2 4.04Å; Y107-Y111 AromaticContact CZ-CE2 3.4Å; Y107-Y111 VanDerWaalsContact CZ-CE2 3.4Å; Y107-Y111 WeakPolarHBondContact O-CD2 3.42Å; Y107-Y111 PolarHBondContact O-N 3.01Å; Y107-Y111 VanDerWaalsContact O-N 3.09Å; Y107-Y111 WeakPolarHBondContact OH-CE2 3.26Å; Y107-Y111 PolarHBondContact OH-OH 3.17Å
108E61.4Low65.4Low131 Ų131114.1 Ų114.161%0.61256%0.555SS**Hα-helixtrans-62.1-37.1169.7-76.4-169.8148.500111.3E104 Y111 E112E104-E108 WeakPolarHBondContact O-CB 3.46Å; E104-E108 WeakPolarHBondContact O-CG 3.04Å; E104-E108 PolarHBondContact O-N 3.41Å; E108-Y111 PolarHBondContact O-N 2.88Å; E108-E112 PolarHBondContact O-N 3.34Å
109G60.2Low65Low32 Ų32113.3 Ų113.333%0.3355%0.553SS.*Hα-helixtrans-63.2-48.3174.300000113.2A105 E106 Y107 Y111 E112 D113A105-G109 PolarHBondContact O-N 3.44Å; E106-G109 PolarHBondContact O-N 3.43Å; Y107-G109 VanDerWaalsContact C-N 3.28Å; Y107-G109 PolarHBondContact O-N 3.22Å; G109-Y111 VanDerWaalsContact C-N 3.27Å; G109-Y111 PolarHBondContact O-N 2.95Å; G109-E112 PolarHBondContact O-N 2.78Å; G109-D113 PolarHBondContact O-N 3.12Å
110E60.8Low65Low132 Ų132111.8 Ų111.862%0.61755%0.55SS**Hα-helixtrans-59.3-38.2176.4-168.8169.3-146.700111.4E106 Y107 E114E106-E110 PolarHBondContact O-N 3.34Å; Y107-E110 PolarHBondContact O-N 3.37Å; E110-E114 WeakPolarHBondContact O-CB 3.49Å; E110-E114 PolarHBondContact O-N 3.01Å
111Y59.4Low65.2Low132 Ų132113.4 Ų113.452%0.51856%0.555SS.*Hα-helixtrans-71.1-34.3174.7-94.9-99.7000114.6Y107 E108 G109 K115Y107-Y111 HydrophobicContact CD1-CD2 4.09Å; Y107-Y111 HydrophobicContact CD1-CE2 4.12Å; Y107-Y111 AromaticContact CE1-CD2 3.87Å; Y107-Y111 HydrophobicContact CE1-CD2 3.87Å; Y107-Y111 AromaticContact CE1-CE2 3.44Å; Y107-Y111 HydrophobicContact CE1-CE2 3.44Å; Y107-Y111 VanDerWaalsContact CE1-CE2 3.44Å; Y107-Y111 HydrophobicContact CE2-CE2 4.04Å; Y107-Y111 AromaticContact CZ-CE2 3.4Å; Y107-Y111 VanDerWaalsContact CZ-CE2 3.4Å; Y107-Y111 WeakPolarHBondContact O-CD2 3.42Å; Y107-Y111 PolarHBondContact O-N 3.01Å; Y107-Y111 VanDerWaalsContact O-N 3.09Å; Y107-Y111 WeakPolarHBondContact OH-CE2 3.26Å; Y107-Y111 PolarHBondContact OH-OH 3.17Å; E108-Y111 PolarHBondContact O-N 2.88Å; G109-Y111 VanDerWaalsContact C-N 3.27Å; G109-Y111 PolarHBondContact O-N 2.95Å; Y111-K115 WeakPolarHBondContact O-CB 3.46Å; Y111-K115 PolarHBondContact O-N 3.47Å
112E61.8Low65.1Low147 Ų147115 Ų11569%0.68756%0.56SS**Hα-helixtrans-73.6-38.9173.4-72.9-150.3145.400111.7E108 G109 K115 V116E108-E112 PolarHBondContact O-N 3.34Å; G109-E112 PolarHBondContact O-N 2.78Å; E112-K115 PolarHBondContact O-N 3.48Å; E112-V116 WeakPolarHBondContact O-CB 3.48Å; E112-V116 VanDerWaalsContact O-CG2 3.28Å; E112-V116 WeakPolarHBondContact O-CG2 2.92Å; E112-V116 PolarHBondContact O-N 2.92Å
113D60.5Low64.8Low116 Ų116111.8 Ų111.862%0.6255%0.554SS**Hα-helixtrans-66.1-47.6177.1-81.8-19.7000111.8G109 K115 V116 D117G109-D113 PolarHBondContact O-N 3.12Å; D113-K115 VanDerWaalsContact C-N 3.28Å; D113-K115 PolarHBondContact O-N 2.97Å; D113-V116 PolarHBondContact O-N 3.18Å; D113-V116 VanDerWaalsContact O-N 3.11Å; D113-D117 PolarHBondContact O-N 3.32Å
114E61.8Low64.8Low131 Ų131112.2 Ų112.261%0.61256%0.56SS**Hα-helixtrans-60.5-38.8177.4-169.9173.6-122.800111.3E110 D117 E118E110-E114 WeakPolarHBondContact O-CB 3.49Å; E110-E114 PolarHBondContact O-N 3.01Å; E114-D117 PolarHBondContact O-N 3.41Å; E114-E118 PolarHBondContact O-N 3.41Å
115K64.4Low65.2Low110 Ų110112.5 Ų112.548%0.47856%0.56SS.*Hα-helixtrans-69.4-33.7175.2-178.7179.7168.3-63.50113.2Y111 E112 D113 E119Y111-K115 WeakPolarHBondContact O-CB 3.46Å; Y111-K115 PolarHBondContact O-N 3.47Å; E112-K115 PolarHBondContact O-N 3.48Å; D113-K115 VanDerWaalsContact C-N 3.28Å; D113-K115 PolarHBondContact O-N 2.97Å; K115-E119 IonicContact NZ-OE1 2.6Å; K115-E119 PolarHBondContact NZ-OE1 2.68Å; K115-E119 PolarHBondContact O-N 3.13Å
116V63.8Low65Low75 Ų75117.7 Ų117.746%0.45557%0.568SS.*Hα-helixtrans-68.9-39.7174.4164.50000110.5E112 D113 E119 V120E112-V116 WeakPolarHBondContact O-CB 3.48Å; E112-V116 VanDerWaalsContact O-CG2 3.28Å; E112-V116 WeakPolarHBondContact O-CG2 2.92Å; E112-V116 PolarHBondContact O-N 2.92Å; D113-V116 PolarHBondContact O-N 3.18Å; D113-V116 VanDerWaalsContact O-N 3.11Å; V116-E119 PolarHBondContact O-N 3.48Å; V116-V120 HydrophobicContact CG1-CG2 4.39Å; V116-V120 WeakPolarHBondContact O-CB 3.49Å; V116-V120 VanDerWaalsContact O-CG2 3.24Å; V116-V120 WeakPolarHBondContact O-CG2 2.96Å; V116-V120 PolarHBondContact O-N 3.43Å
117D65.8Low64.7Low118 Ų118115.6 Ų115.663%0.63156%0.561SS**Hα-helixtrans-66.5-38.5174.7-87.5-10.4000112D113 E114 V120 E121D113-D117 PolarHBondContact O-N 3.32Å; E114-D117 PolarHBondContact O-N 3.41Å; D117-V120 PolarHBondContact O-N 3.34Å; D117-E121 PolarHBondContact O-N 3.33Å
118E64.6Low64.9Low144 Ų144115.7 Ų115.767%0.67357%0.566SS**Hα-helixtrans-60.9-47.3170.1-76.9-160.314800112.6E114 V120 E121 E122E114-E118 PolarHBondContact O-N 3.41Å; E118-V120 VanDerWaalsContact C-N 3.28Å; E118-V120 PolarHBondContact O-N 3.05Å; E118-E121 PolarHBondContact O-N 2.83Å; E118-E122 PolarHBondContact O-N 2.92Å
119E64.8Low64.8Low109 Ų109113.8 Ų113.851%0.50956%0.56SS.*Hα-helixtrans-63.5-33.7177.4-78.3-174.3-161.200112.1K115 V116 A123K115-E119 IonicContact NZ-OE1 2.6Å; K115-E119 PolarHBondContact NZ-OE1 2.68Å; K115-E119 PolarHBondContact O-N 3.13Å; V116-E119 PolarHBondContact O-N 3.48Å; E119-A123 VanDerWaalsContact O-CB 3.23Å; E119-A123 WeakPolarHBondContact O-CB 3.03Å; E119-A123 PolarHBondContact O-N 3.13Å
120V70.9Confident64.5Low69 Ų69115.6 Ų115.642%0.41857%0.572SS.*Hα-helixtrans-72.4-41.5175167.70000111.5V116 D117 E118 A123 L124V116-V120 HydrophobicContact CG1-CG2 4.39Å; V116-V120 WeakPolarHBondContact O-CB 3.49Å; V116-V120 VanDerWaalsContact O-CG2 3.24Å; V116-V120 WeakPolarHBondContact O-CG2 2.96Å; V116-V120 PolarHBondContact O-N 3.43Å; D117-V120 PolarHBondContact O-N 3.34Å; E118-V120 VanDerWaalsContact C-N 3.28Å; E118-V120 PolarHBondContact O-N 3.05Å; V120-A123 PolarHBondContact O-N 2.03Å; V120-L124 HydrophobicContact CG1-CD1 3.91Å; V120-L124 HydrophobicContact CG1-CG 4.36Å; V120-L124 WeakPolarHBondContact O-CB 3.42Å; V120-L124 VanDerWaalsContact O-CG 3.26Å; V120-L124 WeakPolarHBondContact O-CG 3.49Å; V120-L124 PolarHBondContact O-N 2.03Å
121E72Confident64.1Low145 Ų145114.7 Ų114.768%0.67858%0.576SS**Hα-helixtrans-68-40176.2-168.6171.6-145.700111.5D117 E118 A123 L124 K125D117-E121 PolarHBondContact O-N 3.33Å; E118-E121 PolarHBondContact O-N 2.83Å; E121-A123 PolarHBondContact O-N 2.84Å; E121-L124 PolarHBondContact O-N 2.85Å; E121-K125 WeakPolarHBondContact O-CB 3.4Å; E121-K125 PolarHBondContact O-N 2.84Å
122E70.6Confident63.8Low143 Ų143112.7 Ų112.767%0.66857%0.571SS**Hα-helixtrans-61.3-44.5171.5-173.8175.9-156.500111.1E118 L124 K125 Y126E118-E122 PolarHBondContact O-N 2.92Å; E122-L124 PolarHBondContact O-N 3.39Å; E122-K125 PolarHBondContact O-N 3.25Å; E122-Y126 VanDerWaalsContact O-CB 3.32Å; E122-Y126 WeakPolarHBondContact O-CB 3.48Å; E122-Y126 PolarHBondContact O-N 2.98Å
123A67.6Low63.4Low49 Ų49110.2 Ų110.241%0.40556%0.563SS.*Hα-helixtrans-64.5-39.6177.600000112.6E119 V120 E121 N127E119-A123 VanDerWaalsContact O-CB 3.23Å; E119-A123 WeakPolarHBondContact O-CB 3.03Å; E119-A123 PolarHBondContact O-N 3.13Å; V120-A123 PolarHBondContact O-N 2.03Å; E121-A123 PolarHBondContact O-N 2.84Å; A123-N127 PolarHBondContact O-N 2.78Å; A123-N127 VanDerWaalsContact O-N 3.09Å; A123-N127 PolarHBondContact O-ND2 3.19Å
124L68.9Low63.3Low114 Ų114109 Ų10960%0.59757%0.569SS**Hα-helixtrans-65.1-47.5175.2-75.6170.4000111V120 E121 E122 Y126 N127 E128V120-L124 HydrophobicContact CG1-CD1 3.91Å; V120-L124 HydrophobicContact CG1-CG 4.36Å; V120-L124 WeakPolarHBondContact O-CB 3.42Å; V120-L124 VanDerWaalsContact O-CG 3.26Å; V120-L124 WeakPolarHBondContact O-CG 3.49Å; V120-L124 PolarHBondContact O-N 2.03Å; E121-L124 PolarHBondContact O-N 2.85Å; E122-L124 PolarHBondContact O-N 3.39Å; L124-Y126 PolarHBondContact O-N 3.42Å; L124-N127 CarbonylContact O-C 3.54Å; L124-N127 PolarHBondContact O-N 2.89Å; L124-N127 VanDerWaalsContact O-N 3.14Å; L124-E128 PolarHBondContact O-N 3.36Å
125K72.8Confident62.9Low133 Ų133103.9 Ų103.958%0.57855%0.547SS*.Hα-helixtrans-61.6-41.2177.2-177.4179.7-179.6-179.30112.6E121 E122 N127 E128 D129E121-K125 WeakPolarHBondContact O-CB 3.4Å; E121-K125 PolarHBondContact O-N 2.84Å; E122-K125 PolarHBondContact O-N 3.25Å; K125-N127 VanDerWaalsContact C-N 3.33Å; K125-N127 PolarHBondContact O-N 3.14Å; K125-E128 PolarHBondContact O-N 3.03Å; K125-D129 WeakPolarHBondContact O-CB 3.39Å; K125-D129 PolarHBondContact O-N 3.38Å
126Y63.4Low62.4Low167 Ų167100.9 Ų100.966%0.65554%0.54SS*.Hα-helixtrans-62.1-40.3173.3-179.4-92.9000111.8E122 L124 A130E122-Y126 VanDerWaalsContact O-CB 3.32Å; E122-Y126 WeakPolarHBondContact O-CB 3.48Å; E122-Y126 PolarHBondContact O-N 2.98Å; L124-Y126 PolarHBondContact O-N 3.42Å; Y126-A130 WeakPolarHBondContact O-CB 3.46Å; Y126-A130 PolarHBondContact O-N 2.8Å
127N64.6Low62.1Low96 Ų96103.3 Ų103.351%0.51356%0.555SS.*Hα-helixtrans-69.3-35.5174.3-78.9-72.4000112.3A123 L124 K125 T131A123-N127 PolarHBondContact O-N 2.78Å; A123-N127 VanDerWaalsContact O-N 3.09Å; A123-N127 PolarHBondContact O-ND2 3.19Å; L124-N127 CarbonylContact O-C 3.54Å; L124-N127 PolarHBondContact O-N 2.89Å; L124-N127 VanDerWaalsContact O-N 3.14Å; K125-N127 VanDerWaalsContact C-N 3.33Å; K125-N127 PolarHBondContact O-N 3.14Å; N127-T131 WeakPolarHBondContact O-CB 3.14Å; N127-T131 WeakPolarHBondContact O-CG2 3.25Å; N127-T131 PolarHBondContact O-N 2.85Å; N127-T131 PolarHBondContact O-OG1 2.95Å
128E61.9Low62.1Low137 Ų137100.4 Ų100.464%0.6454%0.539SS*.Hα-helixtrans-67.3-47.8174.5-169.5163.3-153.400110.9L124 K125 A130 T131 Q132L124-E128 PolarHBondContact O-N 3.36Å; K125-E128 PolarHBondContact O-N 3.03Å; E128-A130 VanDerWaalsContact C-N 3.32Å; E128-A130 PolarHBondContact O-N 2.88Å; E128-T131 CarbonylContact O-C 3.57Å; E128-T131 PolarHBondContact O-N 3.06Å; E128-T131 PolarHBondContact O-OG1 3.39Å; E128-Q132 WeakPolarHBondContact O-CG 3.47Å; E128-Q132 PolarHBondContact O-N 3.4Å
129D59.5Low62.6Low90 Ų90101.6 Ų101.648%0.48154%0.542SS..Hα-helixtrans-63.7-33.5174.7-77.9-16.6000113K125 T131 Q132K125-D129 WeakPolarHBondContact O-CB 3.39Å; K125-D129 PolarHBondContact O-N 3.38Å; D129-T131 VanDerWaalsContact C-N 3.34Å; D129-Q132 PolarHBondContact OD1-NE2 2.95Å
130A55.5Low63.2Low71 Ų71101.8 Ų101.859%0.58755%0.552SS**Hα-helixtrans-76.4-18.3173.400000113.9Y126 E128Y126-A130 WeakPolarHBondContact O-CB 3.46Å; Y126-A130 PolarHBondContact O-N 2.8Å; E128-A130 VanDerWaalsContact C-N 3.32Å; E128-A130 PolarHBondContact O-N 2.88Å
131T52.5Low63.2Low112 Ų112102.2 Ų102.269%0.68756%0.563SS**Hα-helixtrans-106.1-2174.556.80000113.5N127 E128 D129 D133N127-T131 WeakPolarHBondContact O-CB 3.14Å; N127-T131 WeakPolarHBondContact O-CG2 3.25Å; N127-T131 PolarHBondContact O-N 2.85Å; N127-T131 PolarHBondContact O-OG1 2.95Å; E128-T131 CarbonylContact O-C 3.57Å; E128-T131 PolarHBondContact O-N 3.06Å; E128-T131 PolarHBondContact O-OG1 3.39Å; D129-T131 VanDerWaalsContact C-N 3.34Å; T131-D133 PolarHBondContact O-N 3.44Å
132Q53.3Low63.4Low91 Ų9197 Ų9743%0.42554%0.542SS..SBendtrans-54.7115.3170.3-84.5-160.444.900109.4E128 D129 A134 S136E128-Q132 WeakPolarHBondContact O-CG 3.47Å; E128-Q132 PolarHBondContact O-N 3.4Å; D129-Q132 PolarHBondContact OD1-NE2 2.95Å; Q132-A134 PolarHBondContact O-N 3.13Å; Q132-S136 PolarHBondContact OE1-OG 3.34Å
133D53.3Low63.6Low94 Ų9495.7 Ų95.750%0.50353%0.53SS..  trans-45123.5170.7-17228.1000109.1T131 T135 S136 R143T131-D133 PolarHBondContact O-N 3.44Å; D133-T135 PolarHBondContact O-N 2.67Å; D133-T135 PolarHBondContact OD2-OG1 3.43Å; D133-S136 WeakPolarHBondContact O-CB 3.37Å; D133-S136 PolarHBondContact O-N 3.47Å; D133-S136 PolarHBondContact O-OG 3.12Å; D133-R143 IonicContact OD2-CZ 3.78Å; D133-R143 IonicContact OD2-NE 2.58Å; D133-R143 IonicContact OD2-NH2 2.81Å; D133-R143 PolarHBondContact OD2-NH2 2.98Å
134A56.7Low64.3Low92 Ų92100.5 Ų100.576%0.7654%0.542SS*.THydrogen-bonded Turntrans-65.415.3-16900000115.3Q132Q132-A134 PolarHBondContact O-N 3.13Å
135T54Low64.9Low23 Ų2399.9 Ų99.914%0.14154%0.536CS..THydrogen-bonded Turntrans-111.5-0.6171.366.60000113.4D133 T137 L138 R143 I146D133-T135 PolarHBondContact O-N 2.67Å; D133-T135 PolarHBondContact OD2-OG1 3.43Å; T135-T137 PolarHBondContact O-N 3.26Å; T135-L138 HydrophobicContact CG2-CD1 4.18Å; T135-L138 WeakPolarHBondContact O-CB 3.39Å; T135-L138 PolarHBondContact O-N 2.97Å; T135-R143 PolarHBondContact OG1-NE 2.8Å; T135-I146 HydrophobicContact CG2-CD1 4.07Å; T135-I146 HydrophobicContact CG2-CG2 4.31Å
136S53.4Low65.2Low47 Ų4794.5 Ų94.533%0.32951%0.514SS..THydrogen-bonded Turntrans-62.7-40-179.763.70000113Q132 D133 L138Q132-S136 PolarHBondContact OE1-OG 3.34Å; D133-S136 WeakPolarHBondContact O-CB 3.37Å; D133-S136 PolarHBondContact O-N 3.47Å; D133-S136 PolarHBondContact O-OG 3.12Å; S136-L138 PolarHBondContact O-N 3.16Å
137T59Low66.2Low125 Ų12593 Ų9377%0.76751%0.512SS*.THydrogen-bonded Turntrans-74.7-5.3177.356.10000113.6T135T135-T137 PolarHBondContact O-N 3.26Å
138L63.9Low67.3Low57 Ų5795.8 Ų95.830%0.29852%0.52SS..SBendtrans-90.1143.2-180-57.2178.6000111.3T135 S136 V142 I146T135-L138 HydrophobicContact CG2-CD1 4.18Å; T135-L138 WeakPolarHBondContact O-CB 3.39Å; T135-L138 PolarHBondContact O-N 2.97Å; S136-L138 PolarHBondContact O-N 3.16Å; L138-V142 HydrophobicContact CB-CB 4.41Å; L138-V142 HydrophobicContact CB-CG1 4.41Å; L138-V142 HydrophobicContact CD1-CG1 4.23Å; L138-I146 HydrophobicContact CD1-CD1 3.36Å
139K76.8Confident68.4Low169 Ų16990.9 Ų90.974%0.73550%0.498SS*.  trans-52.2137.6175.5-66.6174.2-178.8170.50110.1A141 V142 R143K139-A141 PolarHBondContact O-N 3.14Å; K139-V142 HydrophobicContact CB-CG2 4.31Å; K139-V142 WeakPolarHBondContact O-CA 3.34Å; K139-V142 WeakPolarHBondContact O-CB 3.37Å; K139-V142 PolarHBondContact O-N 3.22Å; K139-R143 PolarHBondContact O-N 2.71Å; K139-R143 VanDerWaalsContact O-N 3.13Å
140P75.9Confident69.7Low113 Ų11391.6 Ų91.673%0.73450%0.497SS*.Hα-helixtrans-53.2-32.2-174.6-31.336000115.4R143 K144P140-R143 PolarHBondContact O-N 2.82Å; P140-K144 PolarHBondContact O-N 3.22Å
141A72.1Confident71.2Confident78 Ų7895.1 Ų95.165%0.64550%0.501SS*.Hα-helixtrans-62-41.9173.200000112.9K139 K144 E145K139-A141 PolarHBondContact O-N 3.14Å; A141-K144 PolarHBondContact O-N 2.03Å; A141-E145 PolarHBondContact O-N 2.88Å
142V75.4Confident72.9Confident37 Ų3793.3 Ų93.322%0.22450%0.498CS..Hα-helixtrans-70-39.7177.2-178.10000110.4L138 K139 K144 E145 I146 F170L138-V142 HydrophobicContact CB-CB 4.41Å; L138-V142 HydrophobicContact CB-CG1 4.41Å; L138-V142 HydrophobicContact CD1-CG1 4.23Å; K139-V142 HydrophobicContact CB-CG2 4.31Å; K139-V142 WeakPolarHBondContact O-CA 3.34Å; K139-V142 WeakPolarHBondContact O-CB 3.37Å; K139-V142 PolarHBondContact O-N 3.22Å; V142-K144 VanDerWaalsContact C-N 3.33Å; V142-K144 PolarHBondContact O-N 2.98Å; V142-E145 PolarHBondContact O-N 2.92Å; V142-E145 VanDerWaalsContact O-N 3.14Å; V142-I146 HydrophobicContact CG1-CD1 3.97Å; V142-I146 HydrophobicContact CG1-CG1 4.38Å; V142-I146 WeakPolarHBondContact O-CG1 3.44Å; V142-I146 PolarHBondContact O-N 3.16Å; V142-F170 HydrophobicContact CG1-CE1 4.09Å; V142-F170 HydrophobicContact CG1-CZ 3.73Å
143R74.8Confident74.6Confident114 Ų11493.8 Ų93.843%0.4350%0.499SS..Hα-helixtrans-59.4-43.5174.9-165.2172.2-168.2-158.50.4111.6D133 T135 K139 P140 E145 I146 E147D133-R143 IonicContact OD2-CZ 3.78Å; D133-R143 IonicContact OD2-NE 2.58Å; D133-R143 IonicContact OD2-NH2 2.81Å; D133-R143 PolarHBondContact OD2-NH2 2.98Å; T135-R143 PolarHBondContact OG1-NE 2.8Å; K139-R143 PolarHBondContact O-N 2.71Å; K139-R143 VanDerWaalsContact O-N 3.13Å; P140-R143 PolarHBondContact O-N 2.82Å; R143-E145 PolarHBondContact O-N 2.81Å; R143-I146 PolarHBondContact O-N 3.19Å; R143-E147 WeakPolarHBondContact O-CB 3.48Å; R143-E147 PolarHBondContact O-N 2.98Å
144K83Confident76.3Confident151 Ų15190.4 Ų90.466%0.65748%0.482SS*.Hα-helixtrans-66.5-32.4174.6-170.9170.4-175.1170.60113.4P140 A141 V142 K148P140-K144 PolarHBondContact O-N 3.22Å; A141-K144 PolarHBondContact O-N 2.03Å; V142-K144 VanDerWaalsContact C-N 3.33Å; V142-K144 PolarHBondContact O-N 2.98Å; K144-K148 WeakPolarHBondContact O-CB 3.24Å; K144-K148 PolarHBondContact O-N 3.49Å; K144-K148 VanDerWaalsContact O-N 3.11Å
145E81.1Confident77.8Confident100 Ų10093.4 Ų93.447%0.46748%0.478SS..Hα-helixtrans-69.8-43172.8-172.1172.5-174.500111.7A141 V142 R143 E147 K148 L149A141-E145 PolarHBondContact O-N 2.88Å; V142-E145 PolarHBondContact O-N 2.92Å; V142-E145 VanDerWaalsContact O-N 3.14Å; R143-E145 PolarHBondContact O-N 2.81Å; E145-E147 VanDerWaalsContact C-N 3.34Å; E145-E147 PolarHBondContact O-N 2.99Å; E145-K148 PolarHBondContact O-N 3.25Å; E145-L149 HydrophobicContact CG-CD1 4.25Å; E145-L149 WeakPolarHBondContact O-CB 3.26Å; E145-L149 VanDerWaalsContact O-CG 3.28Å; E145-L149 WeakPolarHBondContact O-CG 3.35Å; E145-L149 PolarHBondContact O-N 3.13Å
146I80.1Confident79.4Confident21 Ų2198.6 Ų98.611%0.10851%0.505CS..Hα-helixtrans-61.7-41.4174.2-66.7168.2000110.9T135 L138 V142 R143 L149 K150 V168 F170T135-I146 HydrophobicContact CG2-CD1 4.07Å; T135-I146 HydrophobicContact CG2-CG2 4.31Å; L138-I146 HydrophobicContact CD1-CD1 3.36Å; V142-I146 HydrophobicContact CG1-CD1 3.97Å; V142-I146 HydrophobicContact CG1-CG1 4.38Å; V142-I146 WeakPolarHBondContact O-CG1 3.44Å; V142-I146 PolarHBondContact O-N 3.16Å; R143-I146 PolarHBondContact O-N 3.19Å; I146-L149 CarbonylContact O-C 3.51Å; I146-L149 PolarHBondContact O-N 3.07Å; I146-K150 WeakPolarHBondContact O-CB 3.02Å; I146-K150 PolarHBondContact O-N 2.66Å; I146-V168 HydrophobicContact CG1-CB 4.49Å; I146-V168 HydrophobicContact CG1-CG2 4.13Å; I146-V168 HydrophobicContact CG2-CG2 4.29Å; I146-F170 HydrophobicContact CD1-CZ 4.25Å
147E84Confident81.1Confident134 Ų13498.9 Ų98.963%0.62650%0.499SS*.Hα-helixtrans-61-46.6175.4-175.7176.5-149.700112R143 E145 L149 K150 E151R143-E147 WeakPolarHBondContact O-CB 3.48Å; R143-E147 PolarHBondContact O-N 2.98Å; E145-E147 VanDerWaalsContact C-N 3.34Å; E145-E147 PolarHBondContact O-N 2.99Å; E147-L149 VanDerWaalsContact C-N 3.32Å; E147-L149 PolarHBondContact O-N 3.45Å; E147-K150 WeakPolarHBondContact O-CB 3.47Å; E147-K150 PolarHBondContact O-N 3.38Å; E147-K150 VanDerWaalsContact O-N 3.13Å; E147-E151 PolarHBondContact O-N 2.84Å
148K86.4Confident82.7Confident155 Ų15594 Ų9467%0.67447%0.47SS*.Hα-helixtrans-62.1-37.9174.2-175.1179.8179.8-178.30112.4K144 E145 A152K144-K148 WeakPolarHBondContact O-CB 3.24Å; K144-K148 PolarHBondContact O-N 3.49Å; K144-K148 VanDerWaalsContact O-N 3.11Å; E145-K148 PolarHBondContact O-N 3.25Å; K148-A152 VanDerWaalsContact O-CB 3.26Å; K148-A152 WeakPolarHBondContact O-CB 3.47Å; K148-A152 PolarHBondContact O-N 3.31Å
149L84.8Confident83.9Confident35 Ų3595 Ų9518%0.18347%0.472CS..Hα-helixtrans-68.7-35.3174-72.6170.8000111.9E145 I146 E147 K153 V168 V175 V178E145-L149 HydrophobicContact CG-CD1 4.25Å; E145-L149 WeakPolarHBondContact O-CB 3.26Å; E145-L149 VanDerWaalsContact O-CG 3.28Å; E145-L149 WeakPolarHBondContact O-CG 3.35Å; E145-L149 PolarHBondContact O-N 3.13Å; I146-L149 CarbonylContact O-C 3.51Å; I146-L149 PolarHBondContact O-N 3.07Å; E147-L149 VanDerWaalsContact C-N 3.32Å; E147-L149 PolarHBondContact O-N 3.45Å; L149-K153 VanDerWaalsContact O-CB 3.23Å; L149-K153 WeakPolarHBondContact O-CB 3.5Å; L149-K153 VanDerWaalsContact O-CG 3.27Å; L149-K153 WeakPolarHBondContact O-CG 3.17Å; L149-K153 PolarHBondContact O-N 2.92Å; L149-V168 HydrophobicContact CD1-CG2 4.44Å; L149-V175 HydrophobicContact CD1-CG1 4.11Å; L149-V175 HydrophobicContact CD1-CG2 4.2Å; L149-V178 HydrophobicContact CB-CG1 4.22Å; L149-V178 HydrophobicContact CD1-CG2 3.99Å; L149-V178 HydrophobicContact CD2-CG1 4.45Å; L149-V178 HydrophobicContact CD2-CG2 4.2Å
150K87.3Confident84.4Confident104 Ų10491.4 Ų91.445%0.45246%0.458SS..Hα-helixtrans-61.7-53.6173.2-173.4-179.9179.81800110.3I146 E147 A152 K153 C154 C164 V166I146-K150 WeakPolarHBondContact O-CB 3.02Å; I146-K150 PolarHBondContact O-N 2.66Å; E147-K150 WeakPolarHBondContact O-CB 3.47Å; E147-K150 PolarHBondContact O-N 3.38Å; E147-K150 VanDerWaalsContact O-N 3.13Å; K150-A152 PolarHBondContact O-N 3.18Å; K150-K153 PolarHBondContact O-N 3.42Å; K150-C154 WeakPolarHBondContact O-CB 3.47Å; K150-C154 PolarHBondContact O-N 3.29Å; K150-C164 WeakPolarHBondContact CE-O 3.43Å; K150-V166 HydrophobicContact CB-CG2 4.3Å; K150-V166 HydrophobicContact CG-CG2 4.29Å
151E87.8Confident84.9Confident145 Ų14593.9 Ų93.968%0.67847%0.465SS*.Hα-helixtrans-55.7-50.2175.9-168.6-172.9-176.100111.5E147 K153 K155E147-E151 PolarHBondContact O-N 2.84Å; E151-K153 VanDerWaalsContact C-N 3.31Å; E151-K153 PolarHBondContact O-N 3.49Å; E151-K155 VanDerWaalsContact O-CB 3.27Å; E151-K155 WeakPolarHBondContact O-CB 3.49Å; E151-K155 PolarHBondContact O-N 3.28Å
152A88Confident85.7Confident75 Ų7591 Ų9162%0.6244%0.441SS*.Hα-helixtrans-70.8-16.6-176.200000115.5K148 K150K148-A152 VanDerWaalsContact O-CB 3.26Å; K148-A152 WeakPolarHBondContact O-CB 3.47Å; K148-A152 PolarHBondContact O-N 3.31Å; K150-A152 PolarHBondContact O-N 3.18Å
153K88.6Confident86.4Confident101 Ų10192.9 Ų92.944%0.43945%0.453SS..Hα-helixtrans-113.2-24.6-179.4-64.5-62.2-172.6-176.30114.5L149 K150 E151 Y157 V166 V178 P180L149-K153 VanDerWaalsContact O-CB 3.23Å; L149-K153 WeakPolarHBondContact O-CB 3.5Å; L149-K153 VanDerWaalsContact O-CG 3.27Å; L149-K153 WeakPolarHBondContact O-CG 3.17Å; L149-K153 PolarHBondContact O-N 2.92Å; K150-K153 PolarHBondContact O-N 3.42Å; E151-K153 VanDerWaalsContact C-N 3.31Å; E151-K153 PolarHBondContact O-N 3.49Å; K153-Y157 WeakPolarHBondContact O-CB 3.29Å; K153-V166 HydrophobicContact CB-CG2 4.26Å; K153-V178 HydrophobicContact CG-CG1 3.82Å; K153-P180 HydrophobicContact CB-CB 4.23Å; K153-P180 HydrophobicContact CB-CG 4.3Å
154C89.4Confident87.1Confident23 Ų2388.4 Ų88.416%0.15544%0.439CS..Hα-helixtrans-88.3-25.2177.2-76.10000113.8K150 D156 Y157 C164 V166K150-C154 WeakPolarHBondContact O-CB 3.47Å; K150-C154 PolarHBondContact O-N 3.29Å; C154-D156 PolarHBondContact O-N 2.9Å; C154-D156 VanDerWaalsContact O-N 3.13Å; C154-Y157 PolarHBondContact O-N 3.48Å; C154-Y157 VanDerWaalsContact O-N 3.07Å; C154-C164 WeakPolarHBondContact CA-SG 3.32Å; C154-C164 HydrophobicContact CB-CB 3.45Å; C154-C164 VanDerWaalsContact CB-CB 3.45Å; C154-C164 WeakPolarHBondContact CB-SG 3.46Å; C154-C164 WeakPolarHBondContact SG-CB 3.47Å; C154-C164 CovalentContact SG-SG 2.03Å; C154-C164 PolarHBondContact SG-SG 2.89Å; C154-V166 VanDerWaalsContact SG-CG2 3.53Å
155K88.4Confident87.4Confident155 Ų15586.1 Ų86.167%0.67443%0.43SS*.THydrogen-bonded Turntrans-53.7120.8177.7179.5166.9-176.1172.80110.6E151 Y157E151-K155 VanDerWaalsContact O-CB 3.27Å; E151-K155 WeakPolarHBondContact O-CB 3.49Å; E151-K155 PolarHBondContact O-N 3.28Å; K155-Y157 PolarHBondContact O-N 3.38Å
156D86.5Confident87.8Confident131 Ų13182.6 Ų82.670%0.70142%0.415SS*.THydrogen-bonded Turntrans55.915.1-179.8-48-44.9000115.3C154C154-D156 PolarHBondContact O-N 2.9Å; C154-D156 VanDerWaalsContact O-N 3.13Å
157Y90.1Very high88Confident53 Ų5387.4 Ų87.421%0.20844%0.437CS..THydrogen-bonded Turntrans-84.6-39.5-178.8-176.9-91.2000113K153 C154 K155 P180 C182 R192K153-Y157 WeakPolarHBondContact O-CB 3.29Å; C154-Y157 PolarHBondContact O-N 3.48Å; C154-Y157 VanDerWaalsContact O-N 3.07Å; K155-Y157 PolarHBondContact O-N 3.38Å; Y157-P180 HydrophobicContact CD1-CB 3.87Å; Y157-P180 HydrophobicContact CD1-CG 4.09Å; Y157-P180 HydrophobicContact CD2-CB 4.45Å; Y157-P180 HydrophobicContact CD2-CG 3.89Å; Y157-P180 HydrophobicContact CE1-CB 3.95Å; Y157-P180 HydrophobicContact CE1-CG 3.92Å; Y157-P180 HydrophobicContact CE2-CB 4.48Å; Y157-P180 HydrophobicContact CE2-CG 3.66Å; Y157-P180 HydrophobicContact CG-CB 4.16Å; Y157-P180 HydrophobicContact CG-CG 4.11Å; Y157-C182 WeakPolarHBondContact CD1-SG 3.25Å; Y157-C182 VanDerWaalsContact CE1-SG 3.59Å; Y157-R192 HydrophobicContact CD1-CG 4.46Å; Y157-R192 HydrophobicContact CE1-CG 4.06Å; Y157-R192 WeakPolarHBondContact O-CB 3.48Å; Y157-R192 VanDerWaalsContact O-CD 3.22Å; Y157-R192 WeakPolarHBondContact O-CD 3.3Å; Y157-R192 VanDerWaalsContact O-CG 3.26Å; Y157-R192 WeakPolarHBondContact O-CG 3.42Å
158C91.5Very high88Confident23 Ų2382.2 Ų82.216%0.15542%0.415CS..SBendtrans-100.7139.1178.2-56.10000111A162 C164 C182C158-A162 HydrophobicContact CB-CB 4.07Å; C158-C164 WeakPolarHBondContact SG-CB 3.43Å; C158-C182 WeakPolarHBondContact CA-SG 3.34Å; C158-C182 HydrophobicContact CB-CB 3.86Å; C158-C182 WeakPolarHBondContact CB-SG 3.3Å; C158-C182 VanDerWaalsContact SG-CA 3.52Å; C158-C182 WeakPolarHBondContact SG-CB 3.47Å; C158-C182 CovalentContact SG-SG 2.03Å; C158-C182 PolarHBondContact SG-SG 3.49Å
159H90Very high87.8Confident77 Ų7778.8 Ų78.836%0.35640%0.403SS..  trans-97.5170.3178.8-57.8-53.4000112.2N161 A162 R192H159-N161 VanDerWaalsContact C-N 3.3Å; H159-N161 PolarHBondContact O-N 3.49Å; H159-N161 VanDerWaalsContact O-N 3.16Å; H159-A162 VanDerWaalsContact O-CB 3.29Å; H159-A162 WeakPolarHBondContact O-CB 3.01Å; H159-A162 PolarHBondContact O-N 3.34Å; H159-A162 VanDerWaalsContact O-N 3.14Å; H159-R192 WeakPolarHBondContact CB-O 3.41Å; H159-R192 PolarHBondContact CD2-O 2.95Å; H159-R192 PolarHBondContact N-O 2.9Å
160H88.3Confident87.4Confident95 Ų9581 Ų8144%0.4441%0.411SS..THydrogen-bonded Turntrans54.835.1170-51.1109000115.9A162 P185 W188 C193H160-A162 VanDerWaalsContact C-N 3.25Å; H160-A162 PolarHBondContact O-N 3.02Å; H160-P185 WeakPolarHBondContact O-CG 3.48Å; H160-W188 HydrophobicContact CB-CD2 4.09Å; H160-W188 HydrophobicContact CB-CG 4.36Å; H160-W188 HydrophobicContact CB-CZ2 4.49Å; H160-W188 AromaticContact CD2-CH2 3.7Å; H160-W188 AromaticContact CD2-CZ2 3.78Å; H160-W188 AromaticContact CE1-CE3 3.68Å; H160-W188 AromaticContact CE1-CH2 3.49Å; H160-W188 VanDerWaalsContact CE1-CH2 3.49Å; H160-W188 WeakPolarHBondContact CE1-CH2 3.29Å; H160-W188 AromaticContact CE1-CZ3 3.17Å; H160-W188 WeakPolarHBondContact CE1-CZ3 3.43Å; H160-W188 AromaticContact CG-CD2 3.85Å; H160-W188 AromaticContact CG-CE2 3.84Å; H160-W188 AromaticContact CG-CE3 3.86Å; H160-W188 AromaticContact CG-CH2 3.88Å; H160-W188 AromaticContact CG-CZ2 3.86Å; H160-W188 AromaticContact CG-CZ3 3.89Å; H160-W188 AromaticContact ND1-CD2 3.75Å; H160-W188 AromaticContact ND1-CE3 3.3Å; H160-W188 VanDerWaalsContact ND1-CE3 3.3Å; H160-W188 AromaticContact ND1-CH2 3.75Å; H160-W188 AromaticContact ND1-CZ3 3.32Å; H160-W188 VanDerWaalsContact ND1-CZ3 3.32Å; H160-W188 WeakPolarHBondContact ND1-CZ3 3.42Å; H160-W188 AromaticContact NE2-CH2 3.47Å; H160-W188 WeakPolarHBondContact NE2-CH2 3.4Å; H160-W188 AromaticContact NE2-CZ3 3.69Å; H160-C193 PolarHBondContact ND1-O 2.75Å
161N85.8Confident87.1Confident165 Ų16584.6 Ų84.688%0.88242%0.422SS*.THydrogen-bonded Turntrans61.427.7-179.7-160.857.4000114.4H159H159-N161 VanDerWaalsContact C-N 3.3Å; H159-N161 PolarHBondContact O-N 3.49Å; H159-N161 VanDerWaalsContact O-N 3.16Å
162A88.6Confident86.3Confident16 Ų1686.2 Ų86.213%0.13243%0.43CS..  trans-68.2142.3169.800000112.1C158 H159 H160 H183 C193C158-A162 HydrophobicContact CB-CB 4.07Å; H159-A162 VanDerWaalsContact O-CB 3.29Å; H159-A162 WeakPolarHBondContact O-CB 3.01Å; H159-A162 PolarHBondContact O-N 3.34Å; H159-A162 VanDerWaalsContact O-N 3.14Å; H160-A162 VanDerWaalsContact C-N 3.25Å; H160-A162 PolarHBondContact O-N 3.02Å; A162-H183 WeakPolarHBondContact CA-O 3.44Å; A162-H183 VanDerWaalsContact CB-O 3.3Å; A162-H183 WeakPolarHBondContact CB-O 3.26Å; A162-C193 HydrophobicContact CB-CB 4.03Å; A162-C193 WeakPolarHBondContact CB-SG 3.04Å
163T90.6Very high85.2Confident77 Ų7790.5 Ų90.547%0.47244%0.442SS..EExtended strand (participates in β ladder)trans-77.5137.5177.952.70000110.7H183T163-H183 PolarHBondContact N-O 3.41Å; T163-H183 PolarHBondContact O-N 3.29Å
164C89.7Confident84.3Confident20 Ų2094.7 Ų94.714%0.13546%0.455CS..EExtended strand (participates in β ladder)trans-110.1130.4-177.8-174.80000112K150 C154 C158 S181K150-C164 WeakPolarHBondContact CE-O 3.43Å; C154-C164 WeakPolarHBondContact CA-SG 3.32Å; C154-C164 HydrophobicContact CB-CB 3.45Å; C154-C164 VanDerWaalsContact CB-CB 3.45Å; C154-C164 WeakPolarHBondContact CB-SG 3.46Å; C154-C164 WeakPolarHBondContact SG-CB 3.47Å; C154-C164 CovalentContact SG-SG 2.03Å; C154-C164 PolarHBondContact SG-SG 2.89Å; C158-C164 WeakPolarHBondContact SG-CB 3.43Å; C164-S181 WeakPolarHBondContact CA-O 3.29Å
165H89Confident83.6Confident104 Ų10495.8 Ų95.848%0.48146%0.461SS..EExtended strand (participates in β ladder)trans-120155.7178-59.2-102.7000108.4P180 S181H165-P180 CarbonylContact O-C 3.41Å; H165-P180 WeakPolarHBondContact O-CA 3.29Å; H165-S181 PolarHBondContact N-O 3.11Å; H165-S181 PolarHBondContact O-N 3.03Å
166V88.9Confident83Confident25 Ų2591.2 Ų91.215%0.15245%0.449CS..EExtended strand (participates in β ladder)trans-130.8118.1179.91770000110K150 K153 C154 V168 V178 V179 P180K150-V166 HydrophobicContact CB-CG2 4.3Å; K150-V166 HydrophobicContact CG-CG2 4.29Å; K153-V166 HydrophobicContact CB-CG2 4.26Å; C154-V166 VanDerWaalsContact SG-CG2 3.53Å; V166-V168 HydrophobicContact CG1-CG2 3.95Å; V166-V178 HydrophobicContact CG1-CG1 3.29Å; V166-V179 WeakPolarHBondContact CA-O 3.49Å; V166-P180 HydrophobicContact CG2-CB 4.28Å
167E84.9Confident82.7Confident122 Ų12286.9 Ų86.957%0.5743%0.431SS*.EExtended strand (participates in β ladder)trans-83.7123.5170.2-68.9172.9-159.700109V178 V179E167-V178 WeakPolarHBondContact O-CA 3.32Å; E167-V179 HydrophobicContact CB-CB 4.44Å; E167-V179 PolarHBondContact N-O 2.85Å; E167-V179 PolarHBondContact O-N 2.83Å
168V83.3Confident82.5Confident26 Ų2686 Ų8616%0.15843%0.431CS..EExtended strand (participates in β ladder)trans-110.5109.5-179.9-177.50000108.6I146 L149 V166 F170 V175 V178I146-V168 HydrophobicContact CG1-CB 4.49Å; I146-V168 HydrophobicContact CG1-CG2 4.13Å; I146-V168 HydrophobicContact CG2-CG2 4.29Å; L149-V168 HydrophobicContact CD1-CG2 4.44Å; V166-V168 HydrophobicContact CG1-CG2 3.95Å; V168-F170 HydrophobicContact CB-CE2 4.04Å; V168-F170 HydrophobicContact CB-CZ 4.33Å; V168-F170 HydrophobicContact CG1-CD2 4.26Å; V168-F170 HydrophobicContact CG1-CE1 4.15Å; V168-F170 HydrophobicContact CG1-CE2 3.65Å; V168-F170 HydrophobicContact CG1-CZ 3.58Å; V168-F170 WeakPolarHBondContact O-CD2 3.22Å; V168-V175 HydrophobicContact CG1-CB 4.36Å; V168-V175 HydrophobicContact CG1-CG1 3.88Å; V168-V175 HydrophobicContact CG1-CG2 3.8Å; V168-V178 HydrophobicContact CG2-CG1 4.44Å
169I81.4Confident82.3Confident82 Ų8288 Ų8842%0.42144%0.442SS..EExtended strand (participates in β ladder)trans-91.9109.9-177.8-57.4173.9000108.1S176 A177I169-S176 WeakPolarHBondContact O-CA 3.39Å; I169-S176 WeakPolarHBondContact O-CB 3.44Å; I169-S176 PolarHBondContact O-N 3.38Å; I169-S176 PolarHBondContact O-OG 3.31Å; I169-A177 HydrophobicContact CB-CB 4.25Å; I169-A177 HydrophobicContact CD1-CB 4.31Å; I169-A177 PolarHBondContact N-O 2.93Å; I169-A177 PolarHBondContact O-N 2.87Å
170F78.3Confident82.3Confident82 Ų8285.2 Ų85.236%0.3643%0.431SS..EExtended strand (participates in β ladder)trans-84148.1176-63.5-89.6000112V142 I146 V168 R174 V175V142-F170 HydrophobicContact CG1-CE1 4.09Å; V142-F170 HydrophobicContact CG1-CZ 3.73Å; I146-F170 HydrophobicContact CD1-CZ 4.25Å; V168-F170 HydrophobicContact CB-CE2 4.04Å; V168-F170 HydrophobicContact CB-CZ 4.33Å; V168-F170 HydrophobicContact CG1-CD2 4.26Å; V168-F170 HydrophobicContact CG1-CE1 4.15Å; V168-F170 HydrophobicContact CG1-CE2 3.65Å; V168-F170 HydrophobicContact CG1-CZ 3.58Å; V168-F170 WeakPolarHBondContact O-CD2 3.22Å; F170-R174 CarbonylContact C-O 3.55Å; F170-R174 VanDerWaalsContact CA-O 3.28Å; F170-R174 WeakPolarHBondContact CA-O 3.44Å; F170-V175 HydrophobicContact CD1-CG2 4.2Å; F170-V175 HydrophobicContact CE1-CG2 3.66Å; F170-V175 HydrophobicContact CZ-CG2 4.31Å
171R79.1Confident82.4Confident180 Ų18083.3 Ų83.368%0.67943%0.429SS*.EExtended strand (participates in β ladder)trans-141.9134.3163.3-71.1-179.7176.6-164.1-2.9108D173 R174R171-D173 VanDerWaalsContact C-N 3.26Å; R171-D173 PolarHBondContact O-N 2.86Å; R171-R174 PolarHBondContact N-O 3.44Å; R171-R174 PolarHBondContact O-N 3.38Å; R171-R174 VanDerWaalsContact O-O 3.11Å
172E71.9Confident82.7Confident178 Ų17876.3 Ų76.383%0.83239%0.393SS*.THydrogen-bonded Turntrans5147.2176.1-60.8165.8-155.100112R174E172-R174 PolarHBondContact O-N 2.83Å; E172-R174 VanDerWaalsContact O-N 3.08Å
173D65.4Low82.9Confident165 Ų16581.9 Ų81.988%0.88242%0.416SS*.THydrogen-bonded Turntrans55.518-175.2-59.8-21.5000116.2R171R171-D173 VanDerWaalsContact C-N 3.26Å; R171-D173 PolarHBondContact O-N 2.86Å
174R69.3Low82.9Confident190 Ų19079.8 Ų79.872%0.71740%0.404SS*.EExtended strand (participates in β ladder)trans-119.4146.8178.4-62.7172.4-166.1-165.23111.5F170 R171 E172 S176F170-R174 CarbonylContact C-O 3.55Å; F170-R174 VanDerWaalsContact CA-O 3.28Å; F170-R174 WeakPolarHBondContact CA-O 3.44Å; R171-R174 PolarHBondContact N-O 3.44Å; R171-R174 PolarHBondContact O-N 3.38Å; R171-R174 VanDerWaalsContact O-O 3.11Å; E172-R174 PolarHBondContact O-N 2.83Å; E172-R174 VanDerWaalsContact O-N 3.08Å; R174-S176 PolarHBondContact O-N 3.37Å; R174-S176 VanDerWaalsContact O-N 3.15Å
175V73.9Confident82.8Confident46 Ų4681.2 Ų81.228%0.27941%0.412SS..EExtended strand (participates in β ladder)trans-63.5112.8170.5175.20000109.2L149 V168 F170 V178L149-V175 HydrophobicContact CD1-CG1 4.11Å; L149-V175 HydrophobicContact CD1-CG2 4.2Å; V168-V175 HydrophobicContact CG1-CB 4.36Å; V168-V175 HydrophobicContact CG1-CG1 3.88Å; V168-V175 HydrophobicContact CG1-CG2 3.8Å; F170-V175 HydrophobicContact CD1-CG2 4.2Å; F170-V175 HydrophobicContact CE1-CG2 3.66Å; F170-V175 HydrophobicContact CZ-CG2 4.31Å; V175-V178 HydrophobicContact CG1-CG2 3.32Å
176S77.1Confident82.6Confident59 Ų5985.6 Ų85.641%0.41343%0.433SS..EExtended strand (participates in β ladder)trans-101.9-32.2-176.277.50000113.4I169 R174I169-S176 WeakPolarHBondContact O-CA 3.39Å; I169-S176 WeakPolarHBondContact O-CB 3.44Å; I169-S176 PolarHBondContact O-N 3.38Å; I169-S176 PolarHBondContact O-OG 3.31Å; R174-S176 PolarHBondContact O-N 3.37Å; R174-S176 VanDerWaalsContact O-N 3.15Å
177A79.8Confident82.4Confident40 Ų4085.8 Ų85.833%0.33144%0.44SS..EExtended strand (participates in β ladder)trans-150.9153.4171.400000110.3I169I169-A177 HydrophobicContact CB-CB 4.25Å; I169-A177 HydrophobicContact CD1-CB 4.31Å; I169-A177 PolarHBondContact N-O 2.93Å; I169-A177 PolarHBondContact O-N 2.87Å
178V85.1Confident82.6Confident33 Ų3383.7 Ų83.720%0.243%0.427CS..EExtended strand (participates in β ladder)trans-137.4110-176.2-175.50000107.6L149 K153 V166 E167 V168 V175L149-V178 HydrophobicContact CB-CG1 4.22Å; L149-V178 HydrophobicContact CD1-CG2 3.99Å; L149-V178 HydrophobicContact CD2-CG1 4.45Å; L149-V178 HydrophobicContact CD2-CG2 4.2Å; K153-V178 HydrophobicContact CG-CG1 3.82Å; V166-V178 HydrophobicContact CG1-CG1 3.29Å; E167-V178 WeakPolarHBondContact O-CA 3.32Å; V168-V178 HydrophobicContact CG2-CG1 4.44Å; V175-V178 HydrophobicContact CG1-CG2 3.32Å
179V88Confident82.7Confident65 Ų6587.5 Ų87.539%0.39444%0.443SS..EExtended strand (participates in β ladder)trans-114.9106.8-171.2-175.60000109.5V166 E167V166-V179 WeakPolarHBondContact CA-O 3.49Å; E167-V179 HydrophobicContact CB-CB 4.44Å; E167-V179 PolarHBondContact N-O 2.85Å; E167-V179 PolarHBondContact O-N 2.83Å
180P89.8Confident82.9Confident20 Ų2084.9 Ų84.913%0.1344%0.436CS..EExtended strand (participates in β ladder)trans-73139.7170.330.2-33.2000110.9K153 Y157 H165 V166K153-P180 HydrophobicContact CB-CB 4.23Å; K153-P180 HydrophobicContact CB-CG 4.3Å; Y157-P180 HydrophobicContact CD1-CB 3.87Å; Y157-P180 HydrophobicContact CD1-CG 4.09Å; Y157-P180 HydrophobicContact CD2-CB 4.45Å; Y157-P180 HydrophobicContact CD2-CG 3.89Å; Y157-P180 HydrophobicContact CE1-CB 3.95Å; Y157-P180 HydrophobicContact CE1-CG 3.92Å; Y157-P180 HydrophobicContact CE2-CB 4.48Å; Y157-P180 HydrophobicContact CE2-CG 3.66Å; Y157-P180 HydrophobicContact CG-CB 4.16Å; Y157-P180 HydrophobicContact CG-CG 4.11Å; H165-P180 CarbonylContact O-C 3.41Å; H165-P180 WeakPolarHBondContact O-CA 3.29Å; V166-P180 HydrophobicContact CG2-CB 4.28Å
181S90.6Very high83.3Confident55 Ų5586.5 Ų86.539%0.38545%0.453SS..EExtended strand (participates in β ladder)trans-132.6138.6-179.7-173.10000109.7C164 H165C164-S181 WeakPolarHBondContact CA-O 3.29Å; H165-S181 PolarHBondContact N-O 3.11Å; H165-S181 PolarHBondContact O-N 3.03Å
182C92.2Very high83.9Confident18 Ų1882.9 Ų82.912%0.12244%0.439CS..EExtended strand (participates in β ladder)trans-109.1127.1-177.4-58.10000110.8Y157 C158Y157-C182 WeakPolarHBondContact CD1-SG 3.25Å; Y157-C182 VanDerWaalsContact CE1-SG 3.59Å; C158-C182 WeakPolarHBondContact CA-SG 3.34Å; C158-C182 HydrophobicContact CB-CB 3.86Å; C158-C182 WeakPolarHBondContact CB-SG 3.3Å; C158-C182 VanDerWaalsContact SG-CA 3.52Å; C158-C182 WeakPolarHBondContact SG-CB 3.47Å; C158-C182 CovalentContact SG-SG 2.03Å; C158-C182 PolarHBondContact SG-SG 3.49Å
183H91.7Very high84.8Confident133 Ų13374.4 Ų74.462%0.61640%0.4SS*.EExtended strand (participates in β ladder)trans-96.1111.5168.8-175.186.7000109.4A162 T163A162-H183 WeakPolarHBondContact CA-O 3.44Å; A162-H183 VanDerWaalsContact CB-O 3.3Å; A162-H183 WeakPolarHBondContact CB-O 3.26Å; T163-H183 PolarHBondContact N-O 3.41Å; T163-H183 PolarHBondContact O-N 3.29Å
184C90.8Very high86Confident33 Ų3369.9 Ų69.922%0.22338%0.375CS..PPolyproline II helixtrans-82141.1-168.6-56.40000113.3W188 C193C184-W188 HydrophobicContact CB-CB 4.23Å; C184-W188 VanDerWaalsContact CB-O 3.31Å; C184-W188 WeakPolarHBondContact CB-O 3.26Å; C184-C193 WeakPolarHBondContact CA-SG 3.38Å; C184-C193 HydrophobicContact CB-CB 3.75Å; C184-C193 WeakPolarHBondContact CB-SG 3.27Å; C184-C193 WeakPolarHBondContact SG-CA 3.29Å; C184-C193 WeakPolarHBondContact SG-CB 3.47Å; C184-C193 CovalentContact SG-SG 2.03Å; C184-C193 PolarHBondContact SG-SG 3.41Å
185P89.3Confident86.8Confident49 Ų4968.2 Ų68.232%0.31837%0.369SS..PPolyproline II helixtrans-66.7160.8170.229.6-34.5000111H160 G187 W188H160-P185 WeakPolarHBondContact O-CG 3.48Å; P185-G187 PolarHBondContact O-N 2.96Å; P185-W188 HydrophobicContact CG-CB 4.32Å; P185-W188 HydrophobicContact CG-CG 4.29Å; P185-W188 PolarHBondContact O-N 3.23Å
186Q84.6Confident87.3Confident197 Ų19771.3 Ų71.392%0.92138%0.38SS*.THydrogen-bonded Turntrans-53.8136.7-179.2-65.7-174.9-000111.9W188Q186-W188 VanDerWaalsContact C-N 3.31Å
187G84.2Confident87.2Confident29 Ų2974.8 Ų74.830%0.29939%0.385SS..THydrogen-bonded Turntrans81.70.4-175.100000114.7P185 H196 Y197P185-G187 PolarHBondContact O-N 2.96Å; G187-H196 CarbonylContact O-C 3.39Å; G187-H196 VanDerWaalsContact O-CA 3.3Å; G187-H196 WeakPolarHBondContact O-CA 3.27Å; G187-H196 PolarHBondContact O-CD2 3.12Å; G187-Y197 PolarHBondContact O-N 3.09Å
188W88.8Confident86.6Confident78 Ų7878 Ų7830%0.29540%0.401SS..EExtended strand (participates in β ladder)trans-117.1143.5174.9-65.187.5000113H160 C184 P185 Q186 C193 R195 H196H160-W188 HydrophobicContact CB-CD2 4.09Å; H160-W188 HydrophobicContact CB-CG 4.36Å; H160-W188 HydrophobicContact CB-CZ2 4.49Å; H160-W188 AromaticContact CD2-CH2 3.7Å; H160-W188 AromaticContact CD2-CZ2 3.78Å; H160-W188 AromaticContact CE1-CE3 3.68Å; H160-W188 AromaticContact CE1-CH2 3.49Å; H160-W188 VanDerWaalsContact CE1-CH2 3.49Å; H160-W188 WeakPolarHBondContact CE1-CH2 3.29Å; H160-W188 AromaticContact CE1-CZ3 3.17Å; H160-W188 WeakPolarHBondContact CE1-CZ3 3.43Å; H160-W188 AromaticContact CG-CD2 3.85Å; H160-W188 AromaticContact CG-CE2 3.84Å; H160-W188 AromaticContact CG-CE3 3.86Å; H160-W188 AromaticContact CG-CH2 3.88Å; H160-W188 AromaticContact CG-CZ2 3.86Å; H160-W188 AromaticContact CG-CZ3 3.89Å; H160-W188 AromaticContact ND1-CD2 3.75Å; H160-W188 AromaticContact ND1-CE3 3.3Å; H160-W188 VanDerWaalsContact ND1-CE3 3.3Å; H160-W188 AromaticContact ND1-CH2 3.75Å; H160-W188 AromaticContact ND1-CZ3 3.32Å; H160-W188 VanDerWaalsContact ND1-CZ3 3.32Å; H160-W188 WeakPolarHBondContact ND1-CZ3 3.42Å; H160-W188 AromaticContact NE2-CH2 3.47Å; H160-W188 WeakPolarHBondContact NE2-CH2 3.4Å; H160-W188 AromaticContact NE2-CZ3 3.69Å; C184-W188 HydrophobicContact CB-CB 4.23Å; C184-W188 VanDerWaalsContact CB-O 3.31Å; C184-W188 WeakPolarHBondContact CB-O 3.26Å; P185-W188 HydrophobicContact CG-CB 4.32Å; P185-W188 HydrophobicContact CG-CG 4.29Å; P185-W188 PolarHBondContact O-N 3.23Å; Q186-W188 VanDerWaalsContact C-N 3.31Å; W188-C193 HydrophobicContact CB-CB 4.23Å; W188-R195 CarbonylContact C-O 3.52Å; W188-R195 VanDerWaalsContact CA-O 3.29Å; W188-R195 WeakPolarHBondContact CA-O 3.49Å; W188-R195 VanDerWaalsContact CE3-C 3.41Å; W188-R195 VanDerWaalsContact CE3-O 3.3Å; W188-H196 HydrophobicContact CD2-CB 4.48Å; W188-H196 AromaticContact CE2-CD2 3.73Å; W188-H196 HydrophobicContact CE3-CB 4.14Å; W188-H196 HydrophobicContact CH2-CB 3.99Å; W188-H196 HydrophobicContact CZ2-CB 4.33Å; W188-H196 AromaticContact CZ2-CD2 3.86Å; W188-H196 HydrophobicContact CZ3-CB 3.87Å; W188-H196 AromaticContact NE1-CD2 3.92Å
189E86.3Confident85.5Confident106 Ų10681.6 Ų81.650%0.49542%0.415SS..EExtended strand (participates in β ladder)trans-141.8165.7-173.2-155.1-160.8143.200110.3C193 D194 R195E189-C193 CarbonylContact O-C 3.45Å; E189-C193 WeakPolarHBondContact O-CA 3.31Å; E189-D194 PolarHBondContact O-N 3.03Å; E189-R195 HydrophobicContact CB-CB 4.5Å; E189-R195 PolarHBondContact N-O 3.42Å; E189-R195 WeakPolarHBondContact O-CB 3.4Å; E189-R195 PolarHBondContact O-N 3.11Å
190G84.8Confident83.8Confident26 Ų2682 Ų8227%0.26843%0.425SS..SBendtrans99.3160.8-178.800000112.8R192 C193 D194G190-R192 PolarHBondContact O-N 3.03Å; G190-C193 PolarHBondContact O-N 3Å; G190-D194 WeakPolarHBondContact CA-OD1 3.33Å
191T87.6Confident82Confident116 Ų11689 Ų8971%0.71245%0.454SS*.THydrogen-bonded Turntrans-66.2-12.1-171.951.20000114.3
192R91.3Very high80Confident104 Ų10496.9 Ų96.939%0.39248%0.477SS..THydrogen-bonded Turntrans-125.914.4172-63.8-176.6176.9-165.13.8112.9Y157 H159 G190 D194Y157-R192 HydrophobicContact CD1-CG 4.46Å; Y157-R192 HydrophobicContact CE1-CG 4.06Å; Y157-R192 WeakPolarHBondContact O-CB 3.48Å; Y157-R192 VanDerWaalsContact O-CD 3.22Å; Y157-R192 WeakPolarHBondContact O-CD 3.3Å; Y157-R192 VanDerWaalsContact O-CG 3.26Å; Y157-R192 WeakPolarHBondContact O-CG 3.42Å; H159-R192 WeakPolarHBondContact CB-O 3.41Å; H159-R192 PolarHBondContact CD2-O 2.95Å; H159-R192 PolarHBondContact N-O 2.9Å; G190-R192 PolarHBondContact O-N 3.03Å; R192-D194 VanDerWaalsContact C-N 3.25Å; R192-D194 PolarHBondContact O-N 3.14Å
193C90.9Very high77.9Confident0 Ų099.8 Ų99.80%050%0.503CS..SBendtrans58.838.7-172.6-42.90000112H160 A162 C184 W188 E189 G190H160-C193 PolarHBondContact ND1-O 2.75Å; A162-C193 HydrophobicContact CB-CB 4.03Å; A162-C193 WeakPolarHBondContact CB-SG 3.04Å; C184-C193 WeakPolarHBondContact CA-SG 3.38Å; C184-C193 HydrophobicContact CB-CB 3.75Å; C184-C193 WeakPolarHBondContact CB-SG 3.27Å; C184-C193 WeakPolarHBondContact SG-CA 3.29Å; C184-C193 WeakPolarHBondContact SG-CB 3.47Å; C184-C193 CovalentContact SG-SG 2.03Å; C184-C193 PolarHBondContact SG-SG 3.41Å; W188-C193 HydrophobicContact CB-CB 4.23Å; E189-C193 CarbonylContact O-C 3.45Å; E189-C193 WeakPolarHBondContact O-CA 3.31Å; G190-C193 PolarHBondContact O-N 3Å
194D90Very high75.6Confident70 Ų7098.6 Ų98.637%0.37451%0.507SS..  trans-77.1-14.9-175.853.8-67.1000114.1E189 G190 R192E189-D194 PolarHBondContact O-N 3.03Å; G190-D194 WeakPolarHBondContact CA-OD1 3.33Å; R192-D194 VanDerWaalsContact C-N 3.25Å; R192-D194 PolarHBondContact O-N 3.14Å
195R85.9Confident73.7Confident156 Ų156105 Ų10559%0.58954%0.537SS*.EExtended strand (participates in β ladder)trans-122.5135.6-168.2-46.5-176.7-177.5-175.4-4.6111.3W188 E189W188-R195 CarbonylContact C-O 3.52Å; W188-R195 VanDerWaalsContact CA-O 3.29Å; W188-R195 WeakPolarHBondContact CA-O 3.49Å; W188-R195 VanDerWaalsContact CE3-C 3.41Å; W188-R195 VanDerWaalsContact CE3-O 3.3Å; E189-R195 HydrophobicContact CB-CB 4.5Å; E189-R195 PolarHBondContact N-O 3.42Å; E189-R195 WeakPolarHBondContact O-CB 3.4Å; E189-R195 PolarHBondContact O-N 3.11Å
196H85.5Confident71.3Confident111 Ų111109.4 Ų109.451%0.51456%0.558SS.*EExtended strand (participates in β ladder)trans-90.3116.2173.5-171.8-100.6000110.7G187 W188 V198G187-H196 CarbonylContact O-C 3.39Å; G187-H196 VanDerWaalsContact O-CA 3.3Å; G187-H196 WeakPolarHBondContact O-CA 3.27Å; G187-H196 PolarHBondContact O-CD2 3.12Å; W188-H196 HydrophobicContact CD2-CB 4.48Å; W188-H196 AromaticContact CE2-CD2 3.73Å; W188-H196 HydrophobicContact CE3-CB 4.14Å; W188-H196 HydrophobicContact CH2-CB 3.99Å; W188-H196 HydrophobicContact CZ2-CB 4.33Å; W188-H196 AromaticContact CZ2-CD2 3.86Å; W188-H196 HydrophobicContact CZ3-CB 3.87Å; W188-H196 AromaticContact NE1-CD2 3.92Å; H196-V198 WeakPolarHBondContact ND1-CG2 3.4Å; H196-V198 PolarHBondContact O-N 2.65Å
197Y73.4Confident69.5Low131 Ų131103.6 Ų103.651%0.51455%0.551SS.*  trans-73.390.4175.4-174.9-94.1000110.3G187 Q199G187-Y197 PolarHBondContact O-N 3.09Å; Y197-Q199 HydrophobicContact CD1-CB 4.32Å; Y197-Q199 HydrophobicContact CE1-CB 3.72Å; Y197-Q199 HydrophobicContact CE1-CG 4.06Å; Y197-Q199 PolarHBondContact O-N 3.23Å
198V68.4Low67.9Low108 Ų108113 Ų11366%0.65558%0.578SS**  trans-80105.7167-177.70000108.1H196 A200H196-V198 WeakPolarHBondContact ND1-CG2 3.4Å; H196-V198 PolarHBondContact O-N 2.65Å; V198-A200 PolarHBondContact O-N 3.33Å
199Q61Low65.4Low109 Ų109120.1 Ų120.151%0.50961%0.606SS.*  trans-65.197.5173.8-166.717316.400109.7Y197 F201Y197-Q199 HydrophobicContact CD1-CB 4.32Å; Y197-Q199 HydrophobicContact CE1-CB 3.72Å; Y197-Q199 HydrophobicContact CE1-CG 4.06Å; Y197-Q199 PolarHBondContact O-N 3.23Å; Q199-F201 VanDerWaalsContact C-N 3.3Å; Q199-F201 HydrophobicContact CB-CE2 4.06Å; Q199-F201 HydrophobicContact CB-CZ 4.37Å; Q199-F201 HydrophobicContact CG-CD2 4.5Å; Q199-F201 HydrophobicContact CG-CE1 4.37Å; Q199-F201 HydrophobicContact CG-CE2 4.14Å; Q199-F201 HydrophobicContact CG-CZ 4.07Å; Q199-F201 WeakPolarHBondContact O-CD2 3.38Å; Q199-F201 PolarHBondContact O-N 2.71Å
200A52.9Low63.5Low73 Ų73123.8 Ų123.860%0.60363%0.629SS**  trans-70.486.9175.500000109.7V198 Y202V198-A200 PolarHBondContact O-N 3.33Å; A200-Y202 WeakPolarHBondContact O-CD2 3.44Å; A200-Y202 PolarHBondContact O-N 3.33Å
201F51.8Low61.4Low166 Ų166124.9 Ų124.973%0.72864%0.64SS**  trans-60105172.9-69.6-82.1000109.6Q199 A203Q199-F201 VanDerWaalsContact C-N 3.3Å; Q199-F201 HydrophobicContact CB-CE2 4.06Å; Q199-F201 HydrophobicContact CB-CZ 4.37Å; Q199-F201 HydrophobicContact CG-CD2 4.5Å; Q199-F201 HydrophobicContact CG-CE1 4.37Å; Q199-F201 HydrophobicContact CG-CE2 4.14Å; Q199-F201 HydrophobicContact CG-CZ 4.07Å; Q199-F201 WeakPolarHBondContact O-CD2 3.38Å; Q199-F201 PolarHBondContact O-N 2.71Å; F201-A203 PolarHBondContact O-N 3.46Å
202Y48.3Very low59.4Low221 Ų221129.5 Ų129.587%0.86765%0.65SS**  trans-61.2101.7169.2-70.3-88000108.6A200A200-Y202 WeakPolarHBondContact O-CD2 3.44Å; A200-Y202 PolarHBondContact O-N 3.33Å
203A49.1Very low57Low80 Ų80131 Ų13166%0.66167%0.671SS**  trans-57.7123.8174.400000108.7F201 I205F201-A203 PolarHBondContact O-N 3.46Å; A203-I205 PolarHBondContact O-N 3.38Å; A203-I205 VanDerWaalsContact O-N 3.09Å
204P43.1Very low55Low108 Ų108140.6 Ų140.670%0.70171%0.713SS**  trans-63.3118.2-177.824.2-32.8000109.1N206P204-N206 PolarHBondContact O-N 2.83Å
205I49.9Very low52.5Low166 Ų166146.4 Ų146.485%0.85174%0.735SS**  trans-75.177.4178.8-52.4179.6000108.3A203 G207A203-I205 PolarHBondContact O-N 3.38Å; A203-I205 VanDerWaalsContact O-N 3.09Å; I205-G207 PolarHBondContact O-N 3.31Å
206N40.5Very low50.3Low142 Ų142144.5 Ų144.576%0.75974%0.743SS**  trans-63.197.6171.2-82.9-17.9000108.6P204 R208P204-N206 PolarHBondContact O-N 2.83Å; N206-R208 PolarHBondContact O-N 3.05Å
207G46.7Very low48.1Very low76 Ų76146 Ų14678%0.78475%0.754SS**SBendtrans-7145.3-168.300000116.1I205I205-G207 PolarHBondContact O-N 3.31Å
208R48.7Very low46.4Very low227 Ų227146.4 Ų146.486%0.85776%0.763SS**  trans-146.678174.5-68.6-167.1-177.8-157.12.9112.2N206N206-R208 PolarHBondContact O-N 3.05Å
209Y37.1Very low44.6Very low227 Ų227149.5 Ų149.589%0.8977%0.769SS**  trans-148.9109.7153.2-104.1-70.1000112.4G211Y209-G211 VanDerWaalsContact C-N 3.29Å; Y209-G211 PolarHBondContact O-N 3.02Å
210N45.6Very low43.3Very low182 Ų182151 Ų15197%0.97378%0.777SS**  trans-75.485.4160.1-90.9-22.4000108.3
211G40.7Very low42.3Very low50 Ų50153.9 Ų153.952%0.51579%0.787SS.*  trans-143.2137.7176.800000110.2Y209 T213Y209-G211 VanDerWaalsContact C-N 3.29Å; Y209-G211 PolarHBondContact O-N 3.02Å; G211-T213 PolarHBondContact O-N 3.26Å
212K46.6Very low41.5Very low212 Ų212153.2 Ų153.292%0.92279%0.786SS**  trans-58.1113.3-176.6-67.9179.8179.6178.20110.1K214K212-K214 PolarHBondContact O-N 3.14Å
213T40.2Very low40.6Very low136 Ų136151.1 Ų151.183%0.83478%0.784SS**  trans-67.7103-175.8380000111.4G211 K215G211-T213 PolarHBondContact O-N 3.26Å; T213-K215 PolarHBondContact O-N 2.96Å
214K48.8Very low40Very low202 Ų202153 Ų15388%0.87879%0.789SS**PPolyproline II helixtrans-62.6122.6154.4-74.4-174175.7-178.20106.9K212K212-K214 PolarHBondContact O-N 3.14Å
215K39Very low39.6Very low192 Ų192155 Ų15584%0.83579%0.794SS**PPolyproline II helixtrans-56.8141.2175.9-63.6-179.8179.6-1790109.2T213 L217T213-K215 PolarHBondContact O-N 2.96Å; K215-L217 PolarHBondContact O-N 2.94Å
216P39.3Very low38.7Very low115 Ų115155.5 Ų155.575%0.74779%0.793SS**PPolyproline II helixtrans-61.4128.1173.326.3-33.3000109.5I218P216-I218 PolarHBondContact O-N 3.41Å; P216-I218 VanDerWaalsContact O-N 3.16Å
217L38.3Very low38.2Very low143 Ų143155.6 Ų155.675%0.74980%0.798SS**  trans-74.3101.6170-89.8160000108.3K215 F219K215-L217 PolarHBondContact O-N 2.94Å; L217-F219 HydrophobicContact CB-CD2 4.17Å; L217-F219 HydrophobicContact CB-CE2 3.83Å; L217-F219 WeakPolarHBondContact O-CD2 3.29Å; L217-F219 PolarHBondContact O-N 3.37Å; L217-F219 VanDerWaalsContact O-N 3.09Å
218I38.7Very low37.4Very low139 Ų139158.3 Ų158.371%0.71379%0.793SS**  trans-72.998.5171-54.7176.8000107.3P216 M220P216-I218 PolarHBondContact O-N 3.41Å; P216-I218 VanDerWaalsContact O-N 3.16Å; I218-M220 VanDerWaalsContact C-N 3.29Å; I218-M220 HydrophobicContact CG2-CG 4.01Å; I218-M220 PolarHBondContact O-N 3.39Å
219F30.8Very low36.5Very low174 Ų174152.9 Ų152.976%0.76379%0.791SS**  trans-74.282.5172.3-79.5-87.2000110.3L217 V221L217-F219 HydrophobicContact CB-CD2 4.17Å; L217-F219 HydrophobicContact CB-CE2 3.83Å; L217-F219 WeakPolarHBondContact O-CD2 3.29Å; L217-F219 PolarHBondContact O-N 3.37Å; L217-F219 VanDerWaalsContact O-N 3.09Å; F219-V221 PolarHBondContact O-N 3.05Å
220M33.9Very low36.2Very low140 Ų140148.2 Ų148.269%0.6979%0.786SS**  trans-72.8104.6161.9-70-168.5-69.400108.6I218 H222I218-M220 VanDerWaalsContact C-N 3.29Å; I218-M220 HydrophobicContact CG2-CG 4.01Å; I218-M220 PolarHBondContact O-N 3.39Å; M220-H222 VanDerWaalsContact C-N 3.32Å; M220-H222 PolarHBondContact O-N 3.29Å
221V31.4Very low35.5Very low134 Ų134145.7 Ų145.781%0.81278%0.777SS**  trans-74.785.8175.2-177.40000108.9F219F219-V221 PolarHBondContact O-N 3.05Å
222H34.1Very low35.2Very low151 Ų151149.7 Ų149.770%0.69979%0.794SS**  trans-70138168.4-78.5-83.8000110.5M220M220-H222 VanDerWaalsContact C-N 3.32Å; M220-H222 PolarHBondContact O-N 3.29Å
223H29.6Very low34.4Very low178 Ų178144.4 Ų144.482%0.82478%0.784SS**  trans-62.7138.3168.6-89.8-1.5000111N225H223-N225 PolarHBondContact O-N 3Å
224P36.9Very low34.4Very low119 Ų119143.3 Ų143.377%0.77378%0.781SS**SBendtrans-82.479.3-176.233.8-35.8000111.7
225N34.5Very low34.1Very low150 Ų150141.8 Ų141.880%0.80278%0.778SS**  trans-163.174.6160-113.5-20.5000114.1H223H223-N225 PolarHBondContact O-N 3Å
226Q31.9Very low34.1Very low177 Ų177138.8 Ų138.883%0.82777%0.771SS**  trans-162.9105.2152.3-118.116171.400111.5
227T28.8Very low34.4Very low143 Ų143137.6 Ų137.688%0.87777%0.765SS**  trans-93.5100.8177.2-44.80000109.2
228I31.3Very low34.7Very low133 Ų133137.9 Ų137.968%0.68276%0.763SS**  trans-116.1120.7171.8-60-179.3000108.3
229S29.3Very low35.2Very low114 Ų114137 Ų13780%0.79776%0.758SS**  trans-104.3118.7179.1-177.90000110
230T29.8Very low35.9Very low128 Ų128132 Ų13279%0.78575%0.745SS**  trans-138.4133.3167.944.60000110.4
231T30.7Very low36.6Very low129 Ų129128.7 Ų128.779%0.79174%0.736SS**PPolyproline II helixtrans-76.5151.6179.543.90000112.4S233T231-S233 PolarHBondContact O-N 3.26Å
232P34.7Very low37.6Very low134 Ų134127.6 Ų127.687%0.8772%0.724SS**PPolyproline II helixtrans-75.5122.8-17830.3-34.7000112.7
233S29.5Very low38.4Very low102 Ų102127.4 Ų127.471%0.71372%0.721SS**PPolyproline II helixtrans-102122.8166.453.90000110.8T231 Q235T231-S233 PolarHBondContact O-N 3.26Å; S233-Q235 PolarHBondContact O-N 3.49Å
234S41.4Very low39.5Very low112 Ų112122.4 Ų122.478%0.78371%0.707SS**SBendtrans-74.8100-177.5170.80000113
235Q42.5Very low39.8Very low171 Ų171118.5 Ų118.580%0.79969%0.687SS**  trans-157.1-10164.5-127.5145.395.100118.8S233 S237S233-Q235 PolarHBondContact O-N 3.49Å; Q235-S237 VanDerWaalsContact C-N 3.31Å; Q235-S237 PolarHBondContact O-N 3.03Å
236D39.2Very low40.6Very low129 Ų129115.7 Ų115.769%0.6967%0.672SS**THydrogen-bonded Turntrans-79.42.8-170-60.5-54.8000116.8E238D236-E238 PolarHBondContact O-N 3.44Å
237S45.8Very low41.5Very low90 Ų90115.3 Ų115.363%0.62966%0.664SS**Hα-helixtrans-75.1-23.3-169.445.90000115.5Q235 S240Q235-S237 VanDerWaalsContact C-N 3.31Å; Q235-S237 PolarHBondContact O-N 3.03Å; S237-S240 PolarHBondContact O-OG 3.3Å
238E44.2Very low42.4Very low149 Ų149115.5 Ų115.570%0.69666%0.655SS**Hα-helixtrans-82.6-42.6-174.3-62.8-166.215500112.9D236 S240 S241 I242D236-E238 PolarHBondContact O-N 3.44Å; E238-S240 VanDerWaalsContact C-N 3.31Å; E238-S240 PolarHBondContact O-N 2.88Å; E238-S241 WeakPolarHBondContact O-CB 3.28Å; E238-S241 PolarHBondContact O-N 2.9Å; E238-S241 VanDerWaalsContact O-N 3.13Å; E238-S241 PolarHBondContact O-OG 3.22Å; E238-I242 PolarHBondContact O-N 3.3Å
239I49.5Very low43.1Very low119 Ų119118.6 Ų118.661%0.6166%0.658SS**Hα-helixtrans-62.2-38.7-175.2-58.4174.9000111.6S241 I242 F243I239-S241 VanDerWaalsContact C-N 3.31Å; I239-S241 PolarHBondContact O-N 3.44Å; I239-I242 PolarHBondContact O-N 2.9Å; I239-F243 PolarHBondContact O-N 2.98Å
240S45.6Very low44.1Very low70 Ų70118.4 Ų118.449%0.4965%0.647SS.*Hα-helixtrans-66.7-28.9178.760.40000113.5S237 E238 S244S237-S240 PolarHBondContact O-OG 3.3Å; E238-S240 VanDerWaalsContact C-N 3.31Å; E238-S240 PolarHBondContact O-N 2.88Å; S240-S244 WeakPolarHBondContact O-CB 3.33Å; S240-S244 PolarHBondContact O-N 2.98Å; S240-S244 PolarHBondContact O-OG 3.07Å
241S47.6Very low45Very low71 Ų71116.8 Ų116.850%0.49764%0.637SS.*Hα-helixtrans-70.4-41.2176.876.90000112.2E238 I239 S244 G245E238-S241 WeakPolarHBondContact O-CB 3.28Å; E238-S241 PolarHBondContact O-N 2.9Å; E238-S241 VanDerWaalsContact O-N 3.13Å; E238-S241 PolarHBondContact O-OG 3.22Å; I239-S241 VanDerWaalsContact C-N 3.31Å; I239-S241 PolarHBondContact O-N 3.44Å; S241-S244 PolarHBondContact O-N 2.87Å; S241-G245 PolarHBondContact O-N 2.89Å
242I52.2Low45.6Very low111 Ų111118.3 Ų118.357%0.56964%0.635SS**Hα-helixtrans-66.2-43.5-178.8-61.1172.2000110.5E238 I239 S244 L246E238-I242 PolarHBondContact O-N 3.3Å; I239-I242 PolarHBondContact O-N 2.9Å; I242-S244 VanDerWaalsContact C-N 3.33Å; I242-S244 PolarHBondContact O-N 2.7Å; I242-L246 HydrophobicContact CG2-CD1 4.41Å; I242-L246 PolarHBondContact O-N 3.16Å; I242-L246 VanDerWaalsContact O-N 3.13Å
243F52.1Low45.9Very low147 Ų147116.3 Ų116.365%0.64562%0.624SS**Hα-helixtrans-64.3-38175.1-107.1-89.3000112.5I239 L246 Y247I239-F243 PolarHBondContact O-N 2.98Å; F243-L246 PolarHBondContact O-N 3.34Å; F243-Y247 PolarHBondContact O-N 2.87Å; F243-Y247 VanDerWaalsContact O-N 3.07Å
244S51Low46.7Very low73 Ų73114.9 Ų114.951%0.5161%0.614SS.*Hα-helixtrans-66.4-45.6178.8-58.90000112S240 S241 I242 L246 Y247 E248S240-S244 WeakPolarHBondContact O-CB 3.33Å; S240-S244 PolarHBondContact O-N 2.98Å; S240-S244 PolarHBondContact O-OG 3.07Å; S241-S244 PolarHBondContact O-N 2.87Å; I242-S244 VanDerWaalsContact C-N 3.33Å; I242-S244 PolarHBondContact O-N 2.7Å; S244-L246 VanDerWaalsContact C-N 3.32Å; S244-L246 PolarHBondContact O-N 3.29Å; S244-Y247 WeakPolarHBondContact O-CB 3.45Å; S244-Y247 PolarHBondContact O-N 2.75Å; S244-Y247 VanDerWaalsContact O-N 3.12Å; S244-E248 PolarHBondContact O-N 2.96Å; S244-E248 VanDerWaalsContact O-N 3.11Å
245G45Very low47.4Very low36 Ų36115.7 Ų115.737%0.37162%0.615SS.*Hα-helixtrans-67.2-27.7176.600000114.4S241 R249S241-G245 PolarHBondContact O-N 2.89Å; G245-R249 PolarHBondContact O-N 3.11Å
246L50.9Low47.9Very low92 Ų92110.8 Ų110.848%0.48260%0.599SS.*Hα-helixtrans-69.2-40.1168.7-84.4164.9000111.8I242 F243 S244 R249 I250I242-L246 HydrophobicContact CG2-CD1 4.41Å; I242-L246 PolarHBondContact O-N 3.16Å; I242-L246 VanDerWaalsContact O-N 3.13Å; F243-L246 PolarHBondContact O-N 3.34Å; S244-L246 VanDerWaalsContact C-N 3.32Å; S244-L246 PolarHBondContact O-N 3.29Å; L246-R249 PolarHBondContact O-N 3.15Å; L246-I250 WeakPolarHBondContact O-CG1 3.34Å; L246-I250 PolarHBondContact O-N 3.38Å
247Y50.3Low48.6Very low169 Ų169108.6 Ų108.666%0.66360%0.599SS**Hα-helixtrans-64.8-44.3179.8-141.6-90.9000112F243 S244 R249 I250 V251F243-Y247 PolarHBondContact O-N 2.87Å; F243-Y247 VanDerWaalsContact O-N 3.07Å; S244-Y247 WeakPolarHBondContact O-CB 3.45Å; S244-Y247 PolarHBondContact O-N 2.75Å; S244-Y247 VanDerWaalsContact O-N 3.12Å; Y247-R249 PolarHBondContact O-N 2.98Å; Y247-I250 PolarHBondContact O-N 2.83Å; Y247-V251 HydrophobicContact CD1-CG2 4.16Å; Y247-V251 HydrophobicContact CE1-CG2 4.34Å; Y247-V251 WeakPolarHBondContact O-CG2 3.37Å; Y247-V251 PolarHBondContact O-N 3.31Å
248E47.5Very low49.3Very low146 Ų146110.3 Ų110.368%0.68260%0.6SS**Hα-helixtrans-59.8-43.7173.7-74.5-165.1130.200112.2S244 I250 V251 Q252S244-E248 PolarHBondContact O-N 2.96Å; S244-E248 VanDerWaalsContact O-N 3.11Å; E248-I250 VanDerWaalsContact C-N 3.33Å; E248-I250 PolarHBondContact O-N 3.11Å; E248-V251 PolarHBondContact O-N 3.32Å; E248-Q252 VanDerWaalsContact O-CB 3.27Å; E248-Q252 WeakPolarHBondContact O-CB 3.46Å; E248-Q252 PolarHBondContact O-N 3.08Å
249R45.3Very low50.2Low198 Ų198107 Ų10775%0.74759%0.591SS**Hα-helixtrans-62.4-35.8176.8-85.8-175.7171.1168.20.1113.5G245 L246 Y247 S253G245-R249 PolarHBondContact O-N 3.11Å; L246-R249 PolarHBondContact O-N 3.15Å; Y247-R249 PolarHBondContact O-N 2.98Å; R249-S253 VanDerWaalsContact O-CB 3.27Å; R249-S253 WeakPolarHBondContact O-CB 3.3Å; R249-S253 PolarHBondContact O-N 2.86Å; R249-S253 VanDerWaalsContact O-N 3.14Å
250I50.9Low51.1Low111 Ų111104.2 Ų104.257%0.56959%0.586SS**Hα-helixtrans-70.3-44177.2-68.1164.2000110.5L246 Y247 E248 S253 S254L246-I250 WeakPolarHBondContact O-CG1 3.34Å; L246-I250 PolarHBondContact O-N 3.38Å; Y247-I250 PolarHBondContact O-N 2.83Å; E248-I250 VanDerWaalsContact C-N 3.33Å; E248-I250 PolarHBondContact O-N 3.11Å; I250-S253 PolarHBondContact O-N 3.13Å; I250-S254 PolarHBondContact O-OG 3.16Å
251V49Very low52.4Low94 Ų94107.5 Ų107.557%0.5759%0.592SS**Hα-helixtrans-63.9-45.4176.5173.30000111.1Y247 E248 S253 S254Y247-V251 HydrophobicContact CD1-CG2 4.16Å; Y247-V251 HydrophobicContact CE1-CG2 4.34Å; Y247-V251 WeakPolarHBondContact O-CG2 3.37Å; Y247-V251 PolarHBondContact O-N 3.31Å; E248-V251 PolarHBondContact O-N 3.32Å; V251-S253 VanDerWaalsContact C-N 3.26Å; V251-S253 PolarHBondContact O-N 3.04Å; V251-S254 VanDerWaalsContact O-CB 3.3Å; V251-S254 WeakPolarHBondContact O-CB 3.23Å; V251-S254 PolarHBondContact O-N 2.93Å; V251-S254 VanDerWaalsContact O-N 3.08Å
252Q42.8Very low53.8Low161 Ų161106.6 Ų106.675%0.75259%0.588SS**Hα-helixtrans-72.7-17-177.7-157168.228.400113.6E248 S254E248-Q252 VanDerWaalsContact O-CB 3.27Å; E248-Q252 WeakPolarHBondContact O-CB 3.46Å; E248-Q252 PolarHBondContact O-N 3.08Å; Q252-S254 VanDerWaalsContact C-N 3.34Å
253S42.4Very low55Low92 Ų92107.5 Ų107.564%0.64359%0.588SS**THydrogen-bonded Turntrans-79.4-12.7170.5-169.70000113.5R249 I250 V251 T255R249-S253 VanDerWaalsContact O-CB 3.27Å; R249-S253 WeakPolarHBondContact O-CB 3.3Å; R249-S253 PolarHBondContact O-N 2.86Å; R249-S253 VanDerWaalsContact O-N 3.14Å; I250-S253 PolarHBondContact O-N 3.13Å; V251-S253 VanDerWaalsContact C-N 3.26Å; V251-S253 PolarHBondContact O-N 3.04Å; S253-T255 PolarHBondContact O-N 2.96Å
254S46.2Very low56.5Low71 Ų71106 Ų10650%0.49759%0.586SS.*  trans-79.822.3-168.5-63.20000115.4I250 V251 Q252 S256I250-S254 PolarHBondContact O-OG 3.16Å; V251-S254 VanDerWaalsContact O-CB 3.3Å; V251-S254 WeakPolarHBondContact O-CB 3.23Å; V251-S254 PolarHBondContact O-N 2.93Å; V251-S254 VanDerWaalsContact O-N 3.08Å; Q252-S254 VanDerWaalsContact C-N 3.34Å; S254-S256 VanDerWaalsContact C-N 3.34Å; S254-S256 PolarHBondContact O-N 2.83Å; S254-S256 VanDerWaalsContact O-N 3.15Å
255T54.8Low58.2Low130 Ų130106 Ų10680%0.79858%0.58SS**  trans-86.356.6179.148.30000113.7S253S253-T255 PolarHBondContact O-N 2.96Å
256S53Low60.2Low68 Ų68108.4 Ų108.448%0.47659%0.587SS.*SBendtrans-167.8160.2157.555.30000111.3S254 I258 P259S254-S256 VanDerWaalsContact C-N 3.34Å; S254-S256 PolarHBondContact O-N 2.83Å; S254-S256 VanDerWaalsContact O-N 3.15Å; S256-I258 PolarHBondContact O-N 3.14Å; S256-I258 WeakPolarHBondContact OG-CD1 3.41Å; S256-P259 VanDerWaalsContact O-CD 3.23Å; S256-P259 WeakPolarHBondContact O-CD 3.2Å
257A55.3Low61.8Low83 Ų83107.3 Ų107.369%0.68658%0.58SS**SBendtrans-6810.2-170.300000116.7F261A257-F261 PolarHBondContact O-N 3.48Å; A257-F261 VanDerWaalsContact O-N 3.16Å
258I59.2Low63.6Low125 Ų125104.1 Ų104.164%0.64157%0.574SS**Hα-helixtrans-61.2-47.6-175.1-57175.1000113.7S256 F261 A262S256-I258 PolarHBondContact O-N 3.14Å; S256-I258 WeakPolarHBondContact OG-CD1 3.41Å; I258-F261 PolarHBondContact O-N 3.22Å; I258-A262 PolarHBondContact O-N 3.37Å
259P64.4Low65.7Low80 Ų80101.9 Ų101.952%0.51957%0.566SS.*Hα-helixtrans-71.9-32.1-177.228.5-32.4000112.3S256 A262 F263S256-P259 VanDerWaalsContact O-CD 3.23Å; S256-P259 WeakPolarHBondContact O-CD 3.2Å; P259-A262 PolarHBondContact O-N 3.23Å; P259-F263 PolarHBondContact O-N 3.47Å
260A68.1Low67.9Low60 Ų6096.7 Ų96.750%0.49655%0.551SS.*Hα-helixtrans-65.1-42.9174.200000111.5A262 F263 L264A260-A262 VanDerWaalsContact C-N 3.35Å; A260-A262 PolarHBondContact O-N 3.4Å; A260-F263 PolarHBondContact O-N 3.3Å; A260-L264 WeakPolarHBondContact O-CG 3.48Å; A260-L264 PolarHBondContact O-N 3.34Å
261F71.9Confident69.8Low140 Ų14097.8 Ų97.861%0.61455%0.552SS**Hα-helixtrans-65.1-37.8175.4-169.8-112.2000112.3A257 I258 L264 I265A257-F261 PolarHBondContact O-N 3.48Å; A257-F261 VanDerWaalsContact O-N 3.16Å; I258-F261 PolarHBondContact O-N 3.22Å; F261-L264 PolarHBondContact O-N 3.09Å; F261-I265 HydrophobicContact CD1-CD1 3.77Å; F261-I265 HydrophobicContact CE1-CD1 3.52Å; F261-I265 HydrophobicContact CE1-CG1 4.45Å; F261-I265 HydrophobicContact CZ-CD1 4.06Å; F261-I265 WeakPolarHBondContact O-CG1 3.12Å; F261-I265 PolarHBondContact O-N 2.82Å
262A77.3Confident71.8Confident51 Ų5197.5 Ų97.542%0.42155%0.546SS..Hα-helixtrans-62.8-43.6172.700000112.2I258 P259 A260 I265 V266I258-A262 PolarHBondContact O-N 3.37Å; P259-A262 PolarHBondContact O-N 3.23Å; A260-A262 VanDerWaalsContact C-N 3.35Å; A260-A262 PolarHBondContact O-N 3.4Å; A262-I265 PolarHBondContact O-N 2.87Å; A262-V266 WeakPolarHBondContact O-CG2 3.28Å; A262-V266 PolarHBondContact O-N 3.44Å
263F78Confident74Confident130 Ų13093.6 Ų93.657%0.5753%0.534SS*.Hα-helixtrans-62.6-42.8176.3-171.5-95.2000112.2P259 A260 I265 V266 M267P259-F263 PolarHBondContact O-N 3.47Å; A260-F263 PolarHBondContact O-N 3.3Å; F263-I265 VanDerWaalsContact C-N 3.33Å; F263-I265 PolarHBondContact O-N 3.31Å; F263-V266 PolarHBondContact O-N 2.81Å; F263-M267 HydrophobicContact CD1-CG 3.93Å; F263-M267 HydrophobicContact CE1-CG 3.56Å; F263-M267 HydrophobicContact CE1-SD 4.19Å; F263-M267 HydrophobicContact CZ-CE 4.28Å; F263-M267 HydrophobicContact CZ-CG 3.99Å; F263-M267 HydrophobicContact CZ-SD 4.12Å; F263-M267 WeakPolarHBondContact O-CG 3.38Å; F263-M267 PolarHBondContact O-N 3.09Å
264L83.5Confident76.3Confident115 Ų11593.6 Ų93.660%0.60253%0.526SS*.Hα-helixtrans-62.3-37.4174.8-70.8174.3000112.5A260 F261 L268A260-L264 WeakPolarHBondContact O-CG 3.48Å; A260-L264 PolarHBondContact O-N 3.34Å; F261-L264 PolarHBondContact O-N 3.09Å; L264-L268 VanDerWaalsContact O-CB 3.28Å; L264-L268 WeakPolarHBondContact O-CB 3.32Å; L264-L268 PolarHBondContact O-N 3.45Å
265I85.6Confident78.4Confident74 Ų7493.6 Ų93.638%0.37952%0.523SS..Hα-helixtrans-64.6-44.3173.3-72.7167.2000111.1F261 A262 F263 L268 I269F261-I265 HydrophobicContact CD1-CD1 3.77Å; F261-I265 HydrophobicContact CE1-CD1 3.52Å; F261-I265 HydrophobicContact CE1-CG1 4.45Å; F261-I265 HydrophobicContact CZ-CD1 4.06Å; F261-I265 WeakPolarHBondContact O-CG1 3.12Å; F261-I265 PolarHBondContact O-N 2.82Å; A262-I265 PolarHBondContact O-N 2.87Å; F263-I265 VanDerWaalsContact C-N 3.33Å; F263-I265 PolarHBondContact O-N 3.31Å; I265-L268 PolarHBondContact O-N 3.04Å; I265-I269 HydrophobicContact CG2-CD1 3.72Å; I265-I269 HydrophobicContact CG2-CG1 4.42Å; I265-I269 VanDerWaalsContact O-CG1 3.29Å; I265-I269 WeakPolarHBondContact O-CG1 3.16Å; I265-I269 PolarHBondContact O-N 3.11Å
266V87.4Confident80Confident86 Ų8690.9 Ų90.952%0.52151%0.505SS..Hα-helixtrans-63.1-43.8177.8171.80000111.2A262 F263 I269 M270A262-V266 WeakPolarHBondContact O-CG2 3.28Å; A262-V266 PolarHBondContact O-N 3.44Å; F263-V266 PolarHBondContact O-N 2.81Å; V266-I269 PolarHBondContact O-N 2.84Å; V266-M270 WeakPolarHBondContact O-CB 3.23Å; V266-M270 PolarHBondContact O-N 3.49Å
267M86Confident81.6Confident69 Ų6994.7 Ų94.734%0.3451%0.51SS..Hα-helixtrans-63.4-39.9174.7-70.9-67.5100.200112.5F263 M270 F271F263-M267 HydrophobicContact CD1-CG 3.93Å; F263-M267 HydrophobicContact CE1-CG 3.56Å; F263-M267 HydrophobicContact CE1-SD 4.19Å; F263-M267 HydrophobicContact CZ-CE 4.28Å; F263-M267 HydrophobicContact CZ-CG 3.99Å; F263-M267 HydrophobicContact CZ-SD 4.12Å; F263-M267 WeakPolarHBondContact O-CG 3.38Å; F263-M267 PolarHBondContact O-N 3.09Å; M267-M270 HydrophobicContact CE-CE 3.99Å; M267-M270 HydrophobicContact CE-SD 3.94Å; M267-M270 PolarHBondContact O-N 3.37Å; M267-M270 HydrophobicContact SD-CE 4.02Å; M267-F271 WeakPolarHBondContact O-CB 3.26Å; M267-F271 PolarHBondContact O-N 3Å
268L88.2Confident82.7Confident103 Ų10392.9 Ų92.954%0.53950%0.496SS..Hα-helixtrans-65.1-43175.7-177.965.1000111.9L264 I265 F271 I272L264-L268 VanDerWaalsContact O-CB 3.28Å; L264-L268 WeakPolarHBondContact O-CB 3.32Å; L264-L268 PolarHBondContact O-N 3.45Å; I265-L268 PolarHBondContact O-N 3.04Å; L268-F271 PolarHBondContact O-N 3.5Å; L268-I272 HydrophobicContact CD1-CD1 4.16Å; L268-I272 HydrophobicContact CG-CD1 3.96Å; L268-I272 WeakPolarHBondContact O-CB 3.48Å; L268-I272 VanDerWaalsContact O-CG1 3.25Å; L268-I272 WeakPolarHBondContact O-CG1 3.38Å; L268-I272 PolarHBondContact O-N 3.32Å
269I90.9Very high83.7Confident99 Ų9995.2 Ų95.251%0.50850%0.498SS..Hα-helixtrans-62.6-46175.6-69.4166.3000110.2I265 V266 F271 I272 T273I265-I269 HydrophobicContact CG2-CD1 3.72Å; I265-I269 HydrophobicContact CG2-CG1 4.42Å; I265-I269 VanDerWaalsContact O-CG1 3.29Å; I265-I269 WeakPolarHBondContact O-CG1 3.16Å; I265-I269 PolarHBondContact O-N 3.11Å; V266-I269 PolarHBondContact O-N 2.84Å; I269-F271 PolarHBondContact O-N 3.36Å; I269-I272 PolarHBondContact O-N 2.85Å; I269-T273 WeakPolarHBondContact O-CG2 3.21Å; I269-T273 PolarHBondContact O-N 3.3Å; I269-T273 PolarHBondContact O-OG1 2.75Å
270M90.3Very high84.1Confident89 Ų89100.3 Ų100.344%0.43851%0.507SS..Hα-helixtrans-61.6-41.8176.7-171.2-171.18000112V266 M267 T273 I274V266-M270 WeakPolarHBondContact O-CB 3.23Å; V266-M270 PolarHBondContact O-N 3.49Å; M267-M270 HydrophobicContact CE-CE 3.99Å; M267-M270 HydrophobicContact CE-SD 3.94Å; M267-M270 PolarHBondContact O-N 3.37Å; M267-M270 HydrophobicContact SD-CE 4.02Å; M270-T273 PolarHBondContact O-N 3.27Å; M270-T273 PolarHBondContact O-OG1 2.76Å; M270-I274 HydrophobicContact CE-CD1 4.21Å; M270-I274 HydrophobicContact CG-CD1 3.94Å; M270-I274 WeakPolarHBondContact O-CB 3.41Å; M270-I274 WeakPolarHBondContact O-CD1 3.42Å; M270-I274 VanDerWaalsContact O-CG1 3.22Å; M270-I274 WeakPolarHBondContact O-CG1 3.39Å; M270-I274 PolarHBondContact O-N 3.35Å
271F90.9Very high84.5Confident133 Ų133103.8 Ų103.858%0.58351%0.507SS*.Hα-helixtrans-62.8-45.3175.5-179.2-101.3000111.5M267 L268 I269 T273 I274 V275M267-F271 WeakPolarHBondContact O-CB 3.26Å; M267-F271 PolarHBondContact O-N 3Å; L268-F271 PolarHBondContact O-N 3.5Å; I269-F271 PolarHBondContact O-N 3.36Å; F271-T273 PolarHBondContact O-N 2.87Å; F271-I274 PolarHBondContact O-N 2.98Å; F271-V275 HydrophobicContact CD1-CG2 4.26Å; F271-V275 HydrophobicContact CE1-CG2 3.88Å; F271-V275 HydrophobicContact CE2-CG2 4.14Å; F271-V275 HydrophobicContact CZ-CG2 3.82Å; F271-V275 WeakPolarHBondContact O-CB 3.24Å; F271-V275 WeakPolarHBondContact O-CG2 3.37Å; F271-V275 PolarHBondContact O-N 2.9Å
272I90.9Very high84Confident88 Ų88102.1 Ų102.145%0.45150%0.502SS..Hα-helixtrans-62.8-42.4176.9-68.8165.6000111.2L268 I269 V275 V276L268-I272 HydrophobicContact CD1-CD1 4.16Å; L268-I272 HydrophobicContact CG-CD1 3.96Å; L268-I272 WeakPolarHBondContact O-CB 3.48Å; L268-I272 VanDerWaalsContact O-CG1 3.25Å; L268-I272 WeakPolarHBondContact O-CG1 3.38Å; L268-I272 PolarHBondContact O-N 3.32Å; I269-I272 PolarHBondContact O-N 2.85Å; I272-V275 PolarHBondContact O-N 2.9Å; I272-V276 HydrophobicContact CG2-CG2 4.29Å; I272-V276 WeakPolarHBondContact O-CB 3.46Å; I272-V276 VanDerWaalsContact O-CG2 3.29Å; I272-V276 WeakPolarHBondContact O-CG2 3.36Å; I272-V276 PolarHBondContact O-N 3.42Å
273T89.4Confident83.1Confident79 Ų79101.8 Ų101.849%0.48550%0.496SS..Hα-helixtrans-68.1-36.9177.756.40000112.3I269 M270 F271 Y277I269-T273 WeakPolarHBondContact O-CG2 3.21Å; I269-T273 PolarHBondContact O-N 3.3Å; I269-T273 PolarHBondContact O-OG1 2.75Å; M270-T273 PolarHBondContact O-N 3.27Å; M270-T273 PolarHBondContact O-OG1 2.76Å; F271-T273 PolarHBondContact O-N 2.87Å; T273-Y277 WeakPolarHBondContact O-CB 3.28Å; T273-Y277 PolarHBondContact O-N 3.07Å
274I90.6Very high82Confident92 Ų92101.9 Ų101.947%0.47250%0.497SS..Hα-helixtrans-63.1-46.4172.5-70.1165.5000110.9M270 F271 Y277 A278M270-I274 HydrophobicContact CE-CD1 4.21Å; M270-I274 HydrophobicContact CG-CD1 3.94Å; M270-I274 WeakPolarHBondContact O-CB 3.41Å; M270-I274 WeakPolarHBondContact O-CD1 3.42Å; M270-I274 VanDerWaalsContact O-CG1 3.22Å; M270-I274 WeakPolarHBondContact O-CG1 3.39Å; M270-I274 PolarHBondContact O-N 3.35Å; F271-I274 PolarHBondContact O-N 2.98Å; I274-Y277 PolarHBondContact O-N 3.41Å; I274-A278 VanDerWaalsContact O-CB 3.29Å; I274-A278 WeakPolarHBondContact O-CB 3.47Å; I274-A278 PolarHBondContact O-N 3.01Å
275V89.9Confident80.5Confident72 Ų72103 Ų10344%0.43649%0.493SS..Hα-helixtrans-64.5-43.5178.6170.30000111.4F271 I272 A278 Y279F271-V275 HydrophobicContact CD1-CG2 4.26Å; F271-V275 HydrophobicContact CE1-CG2 3.88Å; F271-V275 HydrophobicContact CE2-CG2 4.14Å; F271-V275 HydrophobicContact CZ-CG2 3.82Å; F271-V275 WeakPolarHBondContact O-CB 3.24Å; F271-V275 WeakPolarHBondContact O-CG2 3.37Å; F271-V275 PolarHBondContact O-N 2.9Å; I272-V275 PolarHBondContact O-N 2.9Å; V275-A278 PolarHBondContact O-N 3.27Å; V275-Y279 VanDerWaalsContact O-CB 3.26Å; V275-Y279 WeakPolarHBondContact O-CB 3.27Å; V275-Y279 PolarHBondContact O-N 3.39Å
276V88.6Confident79Confident72 Ų72102.7 Ų102.744%0.43650%0.497SS..Hα-helixtrans-68.5-36.1177171.30000111.8I272 R280I272-V276 HydrophobicContact CG2-CG2 4.29Å; I272-V276 WeakPolarHBondContact O-CB 3.46Å; I272-V276 VanDerWaalsContact O-CG2 3.29Å; I272-V276 WeakPolarHBondContact O-CG2 3.36Å; I272-V276 PolarHBondContact O-N 3.42Å; V276-R280 WeakPolarHBondContact O-CB 3.44Å; V276-R280 PolarHBondContact O-N 2.89Å
277Y86.4Confident77.1Confident148 Ų148103.1 Ų103.158%0.5850%0.497SS*.Hα-helixtrans-66.1-46.5173.5174.6-97000111.5T273 I274 R280 R281T273-Y277 WeakPolarHBondContact O-CB 3.28Å; T273-Y277 PolarHBondContact O-N 3.07Å; I274-Y277 PolarHBondContact O-N 3.41Å; Y277-R280 PolarHBondContact O-N 3.38Å; Y277-R281 VanDerWaalsContact O-CB 3.25Å; Y277-R281 WeakPolarHBondContact O-CB 3.46Å; Y277-R281 PolarHBondContact O-N 3.02Å
278A79.6Confident75.4Confident45 Ų45104.1 Ų104.137%0.37250%0.503SS..Hα-helixtrans-60.7-4617500000111I274 V275 R281 M282I274-A278 VanDerWaalsContact O-CB 3.29Å; I274-A278 WeakPolarHBondContact O-CB 3.47Å; I274-A278 PolarHBondContact O-N 3.01Å; V275-A278 PolarHBondContact O-N 3.27Å; A278-R281 PolarHBondContact O-N 3.11Å; A278-M282 WeakPolarHBondContact O-CB 3.27Å; A278-M282 VanDerWaalsContact O-CG 3.29Å; A278-M282 WeakPolarHBondContact O-CG 3.37Å; A278-M282 PolarHBondContact O-N 3.49Å
279Y79.1Confident73.3Confident174 Ų174105.2 Ų105.268%0.68251%0.507SS*.Hα-helixtrans-62.2-44.4177.1-172.5-97.7000112.1V275 M282 S283V275-Y279 VanDerWaalsContact O-CB 3.26Å; V275-Y279 WeakPolarHBondContact O-CB 3.27Å; V275-Y279 PolarHBondContact O-N 3.39Å; Y279-M282 PolarHBondContact O-N 3.32Å; Y279-S283 WeakPolarHBondContact O-CB 3.49Å; Y279-S283 PolarHBondContact O-N 3Å
280R74.1Confident71.4Confident188 Ų188104.9 Ų104.971%0.70951%0.51SS*.Hα-helixtrans-64.4-38.8173.8-82.9-177.1158.5-179.7-6.1112.9V276 Y277 M282 K284V276-R280 WeakPolarHBondContact O-CB 3.44Å; V276-R280 PolarHBondContact O-N 2.89Å; Y277-R280 PolarHBondContact O-N 3.38Å; R280-M282 VanDerWaalsContact C-N 3.34Å; R280-K284 WeakPolarHBondContact O-CB 3.39Å; R280-K284 PolarHBondContact O-N 3.34Å
281R75.3Confident69.1Low133 Ų133108.7 Ų108.750%0.50252%0.521SS..Hα-helixtrans-68.3-33.5177-173.8175.9-178.1-175.50.6112.2Y277 A278 R285Y277-R281 VanDerWaalsContact O-CB 3.25Å; Y277-R281 WeakPolarHBondContact O-CB 3.46Å; Y277-R281 PolarHBondContact O-N 3.02Å; A278-R281 PolarHBondContact O-N 3.11Å; R281-R285 WeakPolarHBondContact O-CG 3.45Å; R281-R285 PolarHBondContact O-N 2.92Å
282M62.5Low66.9Low105 Ų105106.5 Ų106.552%0.51752%0.518SS..Hα-helixtrans-78.8-44174.9-67.9-59.7-72.800111.7A278 Y279 R280 K284 R285 S286A278-M282 WeakPolarHBondContact O-CB 3.27Å; A278-M282 VanDerWaalsContact O-CG 3.29Å; A278-M282 WeakPolarHBondContact O-CG 3.37Å; A278-M282 PolarHBondContact O-N 3.49Å; Y279-M282 PolarHBondContact O-N 3.32Å; R280-M282 VanDerWaalsContact C-N 3.34Å; M282-K284 VanDerWaalsContact C-N 3.32Å; M282-K284 PolarHBondContact O-N 2.91Å; M282-R285 CarbonylContact O-C 3.59Å; M282-R285 WeakPolarHBondContact O-CA 3.45Å; M282-R285 WeakPolarHBondContact O-CB 3.27Å; M282-R285 PolarHBondContact O-N 2.97Å; M282-S286 PolarHBondContact O-N 2.58Å; M282-S286 PolarHBondContact O-OG 2.95Å
283S58.7Low64.5Low43 Ų43108.5 Ų108.530%0.30153%0.527SS..Hα-helixtrans-52.9-50.5171.8-173.10000110.6Y279 R285 S286 D287Y279-S283 WeakPolarHBondContact O-CB 3.49Å; Y279-S283 PolarHBondContact O-N 3Å; S283-R285 PolarHBondContact O-N 3.44Å; S283-S286 CarbonylContact O-C 3.57Å; S283-S286 WeakPolarHBondContact O-CA 3.33Å; S283-S286 VanDerWaalsContact O-CB 3.26Å; S283-S286 WeakPolarHBondContact O-CB 3.47Å; S283-S286 PolarHBondContact O-N 3.48Å; S283-D287 VanDerWaalsContact C-OD2 3.27Å; S283-D287 PolarHBondContact O-N 3.26Å; S283-D287 PolarHBondContact OG-OD2 3.09Å
284K53.8Low62.4Low133 Ų133108.9 Ų108.958%0.57853%0.533SS*.Hα-helixtrans-57.9-36.9178.4-174.3168.3-178.3177.40112.7R280 M282 D287 D288R280-K284 WeakPolarHBondContact O-CB 3.39Å; R280-K284 PolarHBondContact O-N 3.34Å; M282-K284 VanDerWaalsContact C-N 3.32Å; M282-K284 PolarHBondContact O-N 2.91Å; K284-D287 PolarHBondContact O-N 3.19Å; K284-D288 VanDerWaalsContact O-CB 3.29Å; K284-D288 WeakPolarHBondContact O-CB 3.42Å; K284-D288 PolarHBondContact O-N 3.35Å
285R52.7Low60.4Low139 Ų139111.7 Ų111.753%0.52554%0.544SS..Hα-helixtrans-68-37.6171.6-74.7169.6165171.3-10.4112.7R281 M282 S283 M289R281-R285 WeakPolarHBondContact O-CG 3.45Å; R281-R285 PolarHBondContact O-N 2.92Å; M282-R285 CarbonylContact O-C 3.59Å; M282-R285 WeakPolarHBondContact O-CA 3.45Å; M282-R285 WeakPolarHBondContact O-CB 3.27Å; M282-R285 PolarHBondContact O-N 2.97Å; S283-R285 PolarHBondContact O-N 3.44Å; R285-M289 WeakPolarHBondContact O-CB 3.35Å; R285-M289 PolarHBondContact O-N 3.06Å
286S53Low58Low66 Ų66116 Ų11646%0.46256%0.561SS.*Hα-helixtrans-62.8-43.8173.4-55.50000111.5M282 S283 T290M282-S286 PolarHBondContact O-N 2.58Å; M282-S286 PolarHBondContact O-OG 2.95Å; S283-S286 CarbonylContact O-C 3.57Å; S283-S286 WeakPolarHBondContact O-CA 3.33Å; S283-S286 VanDerWaalsContact O-CB 3.26Å; S283-S286 WeakPolarHBondContact O-CB 3.47Å; S283-S286 PolarHBondContact O-N 3.48Å; S286-T290 VanDerWaalsContact O-CB 3.28Å; S286-T290 WeakPolarHBondContact O-CB 3.15Å; S286-T290 PolarHBondContact O-N 3.01Å; S286-T290 PolarHBondContact O-OG1 3.41Å
287D49.1Very low55.6Low96 Ų96117 Ų11751%0.51357%0.571SS.*Hα-helixtrans-66.1-51.2179.1-58.4-44.6000110.2S283 K284 M289 T290 Y291S283-D287 VanDerWaalsContact C-OD2 3.27Å; S283-D287 PolarHBondContact O-N 3.26Å; S283-D287 PolarHBondContact OG-OD2 3.09Å; K284-D287 PolarHBondContact O-N 3.19Å; D287-M289 PolarHBondContact O-N 3.4Å; D287-T290 PolarHBondContact O-N 3.38Å; D287-Y291 WeakPolarHBondContact O-CB 3.36Å; D287-Y291 PolarHBondContact O-N 3.43Å
288D48.5Very low53.5Low89 Ų89114.5 Ų114.548%0.47657%0.573SS.*Hα-helixtrans-59.3-43.6175.6-69.7-28.1000111.4K284 Y291 T292K284-D288 VanDerWaalsContact O-CB 3.29Å; K284-D288 WeakPolarHBondContact O-CB 3.42Å; K284-D288 PolarHBondContact O-N 3.35Å; D288-Y291 PolarHBondContact O-N 3.47Å; D288-T292 WeakPolarHBondContact O-CG2 3.29Å; D288-T292 PolarHBondContact O-N 3.48Å; D288-T292 PolarHBondContact O-OG1 3.4Å
289M45.8Very low52Low126 Ų126118.6 Ų118.662%0.62160%0.595SS**Hα-helixtrans-68.5-42.1-179.7-176.8168.6169.800112.2R285 D287 Y291 T292 M293R285-M289 WeakPolarHBondContact O-CB 3.35Å; R285-M289 PolarHBondContact O-N 3.06Å; D287-M289 PolarHBondContact O-N 3.4Å; M289-Y291 VanDerWaalsContact C-N 3.32Å; M289-Y291 PolarHBondContact O-N 2.91Å; M289-T292 WeakPolarHBondContact CA-OG1 3.36Å; M289-T292 PolarHBondContact O-N 3.05Å; M289-T292 PolarHBondContact O-OG1 2.87Å; M289-M293 PolarHBondContact O-N 3.36Å
290T50.1Low50.2Low93 Ų93118.3 Ų118.357%0.57160%0.6SS**Hα-helixtrans-64.6-39.8175.8-53.70000110.8S286 D287 M293 S294S286-T290 VanDerWaalsContact O-CB 3.28Å; S286-T290 WeakPolarHBondContact O-CB 3.15Å; S286-T290 PolarHBondContact O-N 3.01Å; S286-T290 PolarHBondContact O-OG1 3.41Å; D287-T290 PolarHBondContact O-N 3.38Å; T290-M293 PolarHBondContact O-N 3.47Å; T290-S294 PolarHBondContact O-N 3.01Å
291Y41.4Very low48.7Very low169 Ų169113.3 Ų113.366%0.66360%0.599SS**Hα-helixtrans-59.9-46.4173.6-168.8-106.2000111.2D287 D288 M289 S294D287-Y291 WeakPolarHBondContact O-CB 3.36Å; D287-Y291 PolarHBondContact O-N 3.43Å; D288-Y291 PolarHBondContact O-N 3.47Å; M289-Y291 VanDerWaalsContact C-N 3.32Å; M289-Y291 PolarHBondContact O-N 2.91Å; Y291-S294 PolarHBondContact O-N 2.84Å; Y291-S294 PolarHBondContact O-OG 2.95Å
292T46Very low47Very low87 Ų87115.9 Ų115.953%0.53461%0.614SS.*Hα-helixtrans-66.3-35.817655.60000114.3D288 M289 H295D288-T292 WeakPolarHBondContact O-CG2 3.29Å; D288-T292 PolarHBondContact O-N 3.48Å; D288-T292 PolarHBondContact O-OG1 3.4Å; M289-T292 WeakPolarHBondContact CA-OG1 3.36Å; M289-T292 PolarHBondContact O-N 3.05Å; M289-T292 PolarHBondContact O-OG1 2.87Å; T292-H295 PolarHBondContact O-N 3.39Å
293M39.9Very low46.1Very low129 Ų129118 Ų11864%0.63563%0.628SS**Hα-helixtrans-65.5-40.8174.8-83.5-171.567.300112.1M289 T290 H295 M296M289-M293 PolarHBondContact O-N 3.36Å; T290-M293 PolarHBondContact O-N 3.47Å; M293-H295 PolarHBondContact O-N 3.42Å; M293-H295 VanDerWaalsContact O-N 3.12Å; M293-M296 PolarHBondContact O-N 3.1Å
294S46.1Very low45.3Very low87 Ų87122.5 Ų122.561%0.60865%0.653SS**Hα-helixtrans-63.7-18.9-17872.20000114.1T290 Y291T290-S294 PolarHBondContact O-N 3.01Å; Y291-S294 PolarHBondContact O-N 2.84Å; Y291-S294 PolarHBondContact O-OG 2.95Å
295H47.4Very low44.6Very low152 Ų152124.1 Ų124.170%0.70467%0.667SS**THydrogen-bonded Turntrans-104.63.8-174.3-137.4-60.5000114.3T292 M293T292-H295 PolarHBondContact O-N 3.39Å; M293-H295 PolarHBondContact O-N 3.42Å; M293-H295 VanDerWaalsContact O-N 3.12Å
296M39.9Very low43.9Very low161 Ų161127.3 Ų127.379%0.79369%0.685SS**SBendtrans-109.9-1-176-79.7-72.8164.900114.6M293M293-M296 PolarHBondContact O-N 3.1Å
297C38.4Very low43.3Very low94 Ų94128.7 Ų128.764%0.63569%0.69SS**  trans-96.3118.8175.1-70.10000111.3
298P41.3Very low42.9Very low96 Ų96130.3 Ų130.362%0.62371%0.706SS**  trans-67.7141.5166.328.9-33.1000110.2E300P298-E300 PolarHBondContact O-N 3.3Å
299P48.2Very low42.7Very low131 Ų131132.8 Ų132.885%0.85172%0.719SS**THydrogen-bonded Turntrans-75.110.2-163.929.5-36.9000116.4
300E42.3Very low42.6Very low168 Ų168131 Ų13179%0.78573%0.733SS**THydrogen-bonded Turntrans-106.6-14.6-171.1-58.9-168148.700114.6P298 F302P298-E300 PolarHBondContact O-N 3.3Å; E300-F302 VanDerWaalsContact C-N 3.3Å; E300-F302 PolarHBondContact O-N 2.6Å
301A42.6Very low41.9Very low83 Ų83137.1 Ų137.169%0.68675%0.746SS**THydrogen-bonded Turntrans-72-11-168.900000116.1
302F39.9Very low41.7Very low187 Ų187138.1 Ų138.182%0.8276%0.756SS**THydrogen-bonded Turntrans-94.58.6-168.8-93.2-77.9000116.4E300E300-F302 VanDerWaalsContact C-N 3.3Å; E300-F302 PolarHBondContact O-N 2.6Å
303N43.2Very low41.4Very low149 Ų149140.8 Ų140.880%0.79777%0.766SS**SBendtrans-102.812.1-174.8-78.4-34.9000116
304V42.6Very low41.2Very low137 Ų137140.6 Ų140.683%0.8377%0.774SS**  trans-129.865.4-179.2-162.20000113.4
305L37.3Very low40.7Very low167 Ų167141.6 Ų141.687%0.87478%0.776SS**  trans-132.774.7162.7-100.4152.1000109.6T307L305-T307 PolarHBondContact O-N 2.8Å
306K37.9Very low40.2Very low207 Ų207142 Ų14290%0.978%0.778SS**  trans-76.1104.1173.3-101.6-179.7175.5174.20109.9
307T40.9Very low39.7Very low94 Ų94143.6 Ų143.658%0.57778%0.784SS**  trans-69.2148.8163.950.90000110.3L305 N309L305-T307 PolarHBondContact O-N 2.8Å; T307-N309 PolarHBondContact O-N 2.72Å
308P41.5Very low39.5Very low130 Ų130146 Ų14684%0.84479%0.789SS**SBendtrans-72.88.6-174.729.3-36.1000114.8
309N43.5Very low39.1Very low141 Ų141146.5 Ų146.575%0.75479%0.792SS**SBendtrans-131.5101.2171.4-81.1-62.8000108.6T307 R311T307-N309 PolarHBondContact O-N 2.72Å; N309-R311 PolarHBondContact O-N 3.43Å
310G43.3Very low38.2Very low89 Ų89146.1 Ų146.192%0.91879%0.793SS**  trans-70.982.9-166.500000115
311R36.3Very low37.5Very low221 Ų221143.6 Ų143.683%0.83479%0.792SS**  trans-128.3103.9173.3-169175.7-173.7175.42.1110.7N309N309-R311 PolarHBondContact O-N 3.43Å
312H37.6Very low36.7Very low190 Ų190144.8 Ų144.888%0.8880%0.795SS**  trans-61.4137.2173.9-87.3-93.7000111.5
313I39.3Very low36Very low143 Ų143146.4 Ų146.473%0.73380%0.798SS**  trans-112.8111.3166.2-59.2174.6000106.7V315I313-V315 HydrophobicContact CG2-CG2 4.16Å
314P36.1Very low35.3Very low125 Ų125145.1 Ų145.181%0.81280%0.795SS**  trans-77.1126174.930.3-31.9000110.1
315V35.5Very low34.9Very low108 Ų108146.2 Ų146.266%0.65580%0.795SS**  trans-124.8145.6169.7-168.60000107.5I313I313-V315 HydrophobicContact CG2-CG2 4.16Å
316H35.9Very low34.6Very low161 Ų161143.9 Ų143.975%0.74579%0.789SS**  trans69.462.3-173.5-52.5-74.5000116.4
317Q31.1Very low34.2Very low195 Ų195140.4 Ų140.491%0.91179%0.786SS**  trans-99.799.6136.8-76.4-170.4-7.100108.9
318I33.7Very low34.1Very low145 Ų145142 Ų14274%0.74480%0.798SS**  trans-111.5102.4163-59.8176.6000105.7S320I318-S320 PolarHBondContact O-N 2.9Å
319P33.2Very low33.5Very low106 Ų106139.1 Ų139.169%0.68879%0.792SS**  trans-74.1112.7-175.428.2-33.2000111.1C321P319-C321 PolarHBondContact O-N 3.42Å
320S29.5Very low32.8Very low123 Ų123139.4 Ų139.486%0.8680%0.799SS**  trans-74.384.7168.444.60000110.5I318I318-S320 PolarHBondContact O-N 2.9Å
321C26.5Very low32.2Very low115 Ų115141.8 Ų141.878%0.77780%0.795SS**  trans-102117176.7-70.60000111.9P319P319-C321 PolarHBondContact O-N 3.42Å
322S25.6Very low32.8Very low107 Ų107136.3 Ų136.375%0.74879%0.789SS**  trans-85.6160.4172.5-55.70000112.1
323Y26.1Very low33.1Very low222 Ų222133 Ų13387%0.87178%0.784SS**  trans81.5148.2156.6-94.8-84000122.3
324T27.4Very low32.6Very low122 Ų122132.8 Ų132.875%0.74878%0.784SS**  trans74.6114.2159.517.40000120.2
325I35.5Very low32.3Very low160 Ų160134.2 Ų134.282%0.82178%0.784SS**  trans-87134.8161.6-62.7164.1000108.9
326P30Very low31.8Very low117 Ų117133.1 Ų133.176%0.7678%0.781SS**  trans-109.8149.9152.1-3.324.4000112.6
327T30.9Very low31.4Very low135 Ų135130.1 Ų130.183%0.82878%0.778SS**  trans-84.2167.8178.221.90000113.2
328P37.8Very low31.4Very low127 Ų127127 Ų12783%0.82577%0.772SS**  trans-93.8156.6-158.536-37.3000116.1
329G28.3Very low31.9Very low70 Ų70126.3 Ų126.372%0.72278%0.777SS**  trans134118.1148.700000116.9
330T28.6Very low31.5Very low146 Ų146125.2 Ų125.290%0.89679%0.785SS**  trans-178.7157.3142.2-74.50000108.2
331V31.8Very low31.4Very low139 Ų139124.8 Ų124.884%0.84278%0.782SS**  trans-115.4-177.8-164.9-113.50000112.5
332P48.3Very low31.6Very low107 Ų107130.9 Ų130.970%0.69579%0.789SS**  trans-111.8-168.5-142.644.6-32.9000114.7
333P43.6Very low32.1Very low121 Ų121133.4 Ų133.479%0.78679%0.792SS**  -130.4140.1107.19.911.7000113
334N30Very low32.7Very low138 Ų138128.2 Ų128.274%0.73879%0.786SS**  70.4126.282.1-151.416000112.7
335I28Very low32.6Very low155 Ų155128.6 Ų128.680%0.79579%0.788SS**  -159.9139.987.1-83.8153.5000111.7
336S25.5Very low32.6Very low85 Ų85131.3 Ų131.359%0.59479%0.788SS**  trans45.3119.7156.7-159.30000119.6
337S28Very low32.5Very low98 Ų98135 Ų13569%0.68580%0.795SS**  65138.856.3100.60000114
338T31.8Very low32.7Very low128 Ų128136.4 Ų136.479%0.78579%0.792SS**  cis-135.7168.424.841.40000115
339P42.5Very low32.2Very low132 Ų132135.3 Ų135.386%0.85779%0.794SS**  trans-98.5162.5-178.938.4-35.3000114.7
340G25.8Very low32.6Very low83 Ų83139.1 Ų139.186%0.85680%0.796SS**  trans-139.5137.2173.500000112.9
341S27.8Very low32.7Very low113 Ų113143 Ų14379%0.7979%0.794SS**  trans-121.8129.9-173.7172.80000112.3
342R29.4Very low32.9Very low243 Ų243141.5 Ų141.592%0.91778%0.781SS**  trans-179.3145.5132.9-99.2161.7-176.2-171.11113.7
343I38Very low32.2Very low161 Ų161143.7 Ų143.783%0.82679%0.788SS**  trans-101.4140.3167.1-63.7160.5000105
344P37.7Very low31.7Very low113 Ų113145.9 Ų145.973%0.73479%0.787SS**  -137-171.455.333-7.9000113
345T25.5Very low32Very low130 Ų130145.5 Ų145.580%0.79878%0.781SS**  cis-157.4159.232-46.90000112.9
346R35.6Very low32.5Very low216 Ų216142.2 Ų142.282%0.81578%0.777SS**  trans-74123.9175.4169.2-168.9177.5-173.11.2113
347Q28.6Very low33Very low195 Ų195148.7 Ų148.791%0.91179%0.788SS**  trans-154159.6145-115.7172.91000110.9
348Q34Very low33.4Very low164 Ų164149.7 Ų149.777%0.76679%0.786SS**  trans-98.4136-168.4-69.1159.7-96.100111.9
349A27.2Very low33.8Very low104 Ų104149 Ų14986%0.8678%0.777SS**  trans-111.8108.5160.200000108.6
350I37Very low33.5Very low151 Ų151152 Ų15277%0.77478%0.778SS**  trans-81.3125.1173.6-62.4167.9000108
351R31.6Very low34Very low227 Ų227157 Ų15786%0.85778%0.776SS**  trans-159.4123.9153.2-116.5166.8-171.2-179.61.8113.4
352N34.3Very low34.1Very low107 Ų107155.1 Ų155.157%0.57276%0.763SS**  trans38.797151.7-61.911.6000118.9Q355N352-Q355 PolarHBondContact ND2-OE1 3.3Å
353N33.5Very low34.4Very low154 Ų154150.4 Ų150.482%0.82475%0.754SS**SBendtrans-128.725.5143.5-158.311.4000112.9
354E35Very low34.4Very low166 Ų166150.5 Ų150.578%0.77676%0.755SS**SBendtrans-102.1-19.6173.7-67.3179.2121.900112.2A356 R357E354-A356 VanDerWaalsContact C-N 3.3Å; E354-A356 PolarHBondContact O-N 2.95Å; E354-R357 PolarHBondContact O-N 3.31Å
355Q36.1Very low34.5Very low131 Ų131156.1 Ų156.161%0.61276%0.762SS**THydrogen-bonded Turntrans-77.1-12.2-172.1-156.2136.923.900114.3N352N352-Q355 PolarHBondContact ND2-OE1 3.3Å
356A37.1Very low35.2Very low86 Ų86155 Ų15571%0.71176%0.759SS**THydrogen-bonded Turntrans-86.3-817800000114.1E354E354-A356 VanDerWaalsContact C-N 3.3Å; E354-A356 PolarHBondContact O-N 2.95Å
357R37.4Very low35.2Very low220 Ų220153.8 Ų153.883%0.8376%0.763SS**SBendtrans-110.2-9.3-170.1-143.6172.7177.7172.2-1.7115.4E354E354-R357 PolarHBondContact O-N 3.31Å
358N36Very low35.4Very low120 Ų120147.8 Ų147.864%0.64275%0.753SS**SBendtrans-99.5-8.3-176.1-69.2-10.8000114.5F360N358-F360 VanDerWaalsContact C-N 3.28Å; N358-F360 PolarHBondContact O-N 3.37Å
359N38.7Very low35.2Very low112 Ų112146.9 Ų146.960%0.59976%0.759SS**THydrogen-bonded Turntrans-80.7-0.4-173.6-65.9-1.4000114.6S362N359-S362 PolarHBondContact O-OG 3.49Å
360F37.1Very low35.5Very low197 Ų197149.6 Ų149.686%0.86476%0.757SS**THydrogen-bonded Turntrans-90.7-2.6177.3-116.6-83.7000114.2N358N358-F360 VanDerWaalsContact C-N 3.28Å; N358-F360 PolarHBondContact O-N 3.37Å
361F35.8Very low35.2Very low188 Ų188147.9 Ų147.983%0.82576%0.756SS**SBendtrans-124.19.2-179-80.4-74.6000114.2
362S30.4Very low35.1Very low72 Ų72143 Ų14350%0.50376%0.757SS.*SBendtrans-84.1-19.4178.444.90000114.5N359 L364N359-S362 PolarHBondContact O-OG 3.49Å; S362-L364 VanDerWaalsContact C-N 3.27Å; S362-L364 PolarHBondContact O-N 2.91Å
363I36.5Very low35Very low144 Ų144149.1 Ų149.174%0.73877%0.772SS**THydrogen-bonded Turntrans-78.5-6.5-171.9-60.8177.2000113
364L38Very low35Very low163 Ų163147.1 Ų147.185%0.85377%0.77SS**THydrogen-bonded Turntrans-112.639.5178.5-66.2176000113.2S362S362-L364 VanDerWaalsContact C-N 3.27Å; S362-L364 PolarHBondContact O-N 2.91Å
365R38.4Very low35Very low231 Ų231146.5 Ų146.587%0.87277%0.771SS**SBendtrans-136.917.6-178.5-135.6180-161.51607.9117.1
366S40.4Very low34.8Very low106 Ų106146.5 Ų146.574%0.74178%0.775SS**SBendtrans-133.973.3177.457.80000112.1
367Q36.2Very low34.8Very low192 Ų192150.6 Ų150.690%0.89779%0.785SS**SBendtrans-162.5135.2159.9-91.5-69.70.200107.2
368G33.2Very low34.8Very low68 Ų68147.2 Ų147.270%0.70178%0.783SS**  trans62.386.1163.100000120.2I370G368-I370 PolarHBondContact O-N 2.97Å
369T30.1Very low34.6Very low146 Ų146148.9 Ų148.990%0.89679%0.792SS**  trans-82.4105.4155.346.70000110.7
370I32.6Very low34.8Very low160 Ų160149.8 Ų149.882%0.82180%0.802SS**  trans-79129.5169.8-58.5177000108.7G368 S372G368-I370 PolarHBondContact O-N 2.97Å; I370-S372 PolarHBondContact O-N 3.42Å
371P30.5Very low34.6Very low116 Ų116145 Ų14575%0.75379%0.791SS**  trans-71.1124.9-176.727.7-34.4000112R373P371-R373 PolarHBondContact O-N 2.92Å
372S30.1Very low34.7Very low123 Ų123144.8 Ų144.886%0.8679%0.789SS**  trans-72.396.1176.455.80000111.5I370I370-S372 PolarHBondContact O-N 3.42Å
373R31.6Very low35Very low236 Ų236150.1 Ų150.189%0.89181%0.806SS**PPolyproline II helixtrans-68.7131.3160.3-80.3-172.3170.4-169.4-1.9109.3P371 I375P371-R373 PolarHBondContact O-N 2.92Å; R373-I375 PolarHBondContact O-N 3.41Å
374S34Very low34.5Very low113 Ų113152.8 Ų152.879%0.7981%0.808SS**PPolyproline II helixtrans-68.5119.4171.250.70000110.3
375I34.5Very low34.2Very low153 Ų153154.5 Ų154.579%0.78581%0.809SS**PPolyproline II helixtrans-85.5130.8167-73.1173.8000107.9R373R373-I375 PolarHBondContact O-N 3.41Å
376N31.6Very low34Very low130 Ų130149.2 Ų149.270%0.69581%0.807SS**PPolyproline II helixtrans-78.6144.9166.7-83.4-12.7000109.5D378N376-D378 PolarHBondContact O-N 2.94Å
377D37.6Very low33.4Very low172 Ų172150 Ų15092%0.9281%0.807SS**THydrogen-bonded Turntrans-73.912.5-176.6-70.9-63000115.6
378D36.5Very low33.1Very low149 Ų149146 Ų14680%0.79780%0.798SS**THydrogen-bonded Turntrans-105.9-14.7-170.5-95.2-51.4000116N376 T380N376-D378 PolarHBondContact O-N 2.94Å; D378-T380 PolarHBondContact O-N 2.99Å
379D33.7Very low32.9Very low156 Ų156153.6 Ų153.683%0.83481%0.805SS**  trans-89.4103.3-178.2-90-48.3000112.6P381D379-P381 WeakPolarHBondContact O-CD 3.47Å
380T42Very low32.8Very low130 Ų130152.7 Ų152.780%0.79880%0.799SS**  trans-94.4115.1176.351.60000112.9D378D378-T380 PolarHBondContact O-N 2.99Å
381P33.7Very low32.7Very low98 Ų98153 Ų15364%0.63680%0.797SS**  trans-86.7124.1171.2-2.822.3000110.6D379 Y384D379-P381 WeakPolarHBondContact O-CD 3.47Å; P381-Y384 HydrophobicContact CB-CE2 4.32Å
382K38Very low32.6Very low182 Ų182153.6 Ų153.679%0.79180%0.799SS**  trans-79.9144.9167.7-66.7175.3-177.4169.40110.2
383H35.4Very low32.4Very low184 Ų184152.9 Ų152.985%0.85279%0.793SS**  trans55.788.5168.6-60.5-71000117.3
384Y27.1Very low32.3Very low201 Ų201146.2 Ų146.279%0.78879%0.789SS**  trans-82.3122.2147.7-82.4-86.3000109.9P381P381-Y384 HydrophobicContact CB-CE2 4.32Å
385K30.6Very low32.2Very low199 Ų199147.1 Ų147.187%0.86578%0.783SS**  trans-62.5145155.7-82.2-179.4174.1177.80108.1V387K385-V387 PolarHBondContact O-N 3.37Å; K385-V387 VanDerWaalsContact O-N 3.11Å
386S33.9Very low31.9Very low120 Ų120146.7 Ų146.784%0.83978%0.783SS**  trans-65.7109.2176.551.40000111.1
387V29.2Very low31.7Very low123 Ų123150.5 Ų150.575%0.74579%0.789SS**  trans-68.5132.8165.6-177.70000108.1K385K385-V387 PolarHBondContact O-N 3.37Å; K385-V387 VanDerWaalsContact O-N 3.11Å
388P28.6Very low31.5Very low107 Ų107147.5 Ų147.570%0.69578%0.782SS**  trans-64.5138.4175.527.1-34.1000110.6V390P388-V390 PolarHBondContact O-N 2.83Å
389R30.6Very low31.2Very low228 Ų228143.4 Ų143.486%0.8678%0.775SS**  trans-71.9109.4168.1-91.8-174159.2106-2.3108.8E391R389-E391 PolarHBondContact O-N 2.85Å
390V26.2Very low31Very low127 Ų127144.6 Ų144.677%0.7778%0.775SS**  trans-74.4109.8159.2-179.90000107P388P388-V390 PolarHBondContact O-N 2.83Å
391E30.9Very low30.6Very low165 Ų165144.1 Ų144.177%0.77177%0.766SS**  trans-85.7112.1172.3-63-161.1156.900109R389 S393R389-E391 PolarHBondContact O-N 2.85Å; E391-S393 PolarHBondContact O-N 3.46Å; E391-S393 VanDerWaalsContact O-N 3.11Å
392V27.9Very low30.4Very low130 Ų130145.3 Ų145.379%0.78877%0.767SS**  trans-74.4101.9-174.8-1780000110.1
393S27.1Very low30.2Very low107 Ų107144.7 Ų144.775%0.74877%0.765SS**  trans-81.8132.9172.4450000111.5E391E391-S393 PolarHBondContact O-N 3.46Å; E391-S393 VanDerWaalsContact O-N 3.11Å
394A29.7Very low30.1Very low96 Ų96140.9 Ų140.979%0.79376%0.759SS**  trans46.598166.500000118.2N396A394-N396 PolarHBondContact O-N 2.89Å; A394-N396 VanDerWaalsContact O-N 3.11Å
395I31.8Very low30.5Very low132 Ų132137.4 Ų137.468%0.67776%0.759SS**  trans-65110.4161.1-61.3171000108.9Y397I395-Y397 HydrophobicContact CG2-CD2 4.07Å; I395-Y397 HydrophobicContact CG2-CE2 3.91Å
396N28.1Very low30.5Very low145 Ų145132.4 Ų132.478%0.77575%0.745SS**  trans-84.9114.6171.8-171.310.5000110.1A394 S398A394-N396 PolarHBondContact O-N 2.89Å; A394-N396 VanDerWaalsContact O-N 3.11Å; N396-S398 PolarHBondContact O-N 3.49Å; N396-S398 VanDerWaalsContact O-N 3.13Å
397Y27.6Very low30.2Very low209 Ų209132.2 Ų132.282%0.8274%0.743SS**  trans-82.886.6179.8-85.7-86.2000111.4I395I395-Y397 HydrophobicContact CG2-CD2 4.07Å; I395-Y397 HydrophobicContact CG2-CE2 3.91Å
398S32.4Very low30.4Very low110 Ų110136.2 Ų136.277%0.76975%0.746SS**  trans-117.952.3167-172.70000111.4N396N396-S398 PolarHBondContact O-N 3.49Å; N396-S398 VanDerWaalsContact O-N 3.13Å
399G29.9Very low30.3Very low63 Ų63140.1 Ų140.165%0.64976%0.755SS**  trans-89.4108.9175.500000111.6
400H30.5Very low30.3Very low180 Ų180134.4 Ų134.483%0.83375%0.75SS**  trans-67.5127.8163.8-142.9-91.6000108.1D402H400-D402 IonicContact ND1-OD1 3.78Å
401I33.6Very low30.4Very low120 Ų120134 Ų13462%0.61575%0.749SS**  trans-106.5102.8-178.8-56.3178.7000108.9F403I401-F403 HydrophobicContact CB-CE2 4.01Å; I401-F403 HydrophobicContact CB-CZ 4.41Å; I401-F403 HydrophobicContact CG2-CD2 4.1Å; I401-F403 HydrophobicContact CG2-CE1 4.2Å; I401-F403 HydrophobicContact CG2-CE2 3.61Å; I401-F403 HydrophobicContact CG2-CZ 3.67Å; I401-F403 VanDerWaalsContact O-CD2 3.28Å; I401-F403 WeakPolarHBondContact O-CD2 3.23Å
402D29.4Very low30.4Very low124 Ų124135 Ų13566%0.66375%0.753SS**  trans-79.6119.9172.4-71.1-29.7000110.9H400 S404H400-D402 IonicContact ND1-OD1 3.78Å; D402-S404 VanDerWaalsContact C-N 3.26Å; D402-S404 PolarHBondContact O-N 3.38Å
403F33.5Very low30.4Very low169 Ų169133.7 Ų133.774%0.74175%0.75SS**  trans-90.133.7-178.7-74.4-85000113.2I401 T405I401-F403 HydrophobicContact CB-CE2 4.01Å; I401-F403 HydrophobicContact CB-CZ 4.41Å; I401-F403 HydrophobicContact CG2-CD2 4.1Å; I401-F403 HydrophobicContact CG2-CE1 4.2Å; I401-F403 HydrophobicContact CG2-CE2 3.61Å; I401-F403 HydrophobicContact CG2-CZ 3.67Å; I401-F403 VanDerWaalsContact O-CD2 3.28Å; I401-F403 WeakPolarHBondContact O-CD2 3.23Å; F403-T405 VanDerWaalsContact C-N 3.35Å; F403-T405 PolarHBondContact O-N 3.06Å
404S32.9Very low30.5Very low104 Ų104136.7 Ų136.773%0.72775%0.752SS**THydrogen-bonded Turntrans-77-12.3-173.153.90000115D402D402-S404 VanDerWaalsContact C-N 3.26Å; D402-S404 PolarHBondContact O-N 3.38Å
405T36.4Very low30.5Very low128 Ų128138 Ų13879%0.78575%0.75SS**THydrogen-bonded Turntrans-133.847.7-171.250.90000115.1F403F403-T405 VanDerWaalsContact C-N 3.35Å; F403-T405 PolarHBondContact O-N 3.06Å
406V30.5Very low30.4Very low94 Ų94136.7 Ų136.757%0.5775%0.752SS**  trans-109.487.5166.3-173.60000110.9Y408V406-Y408 HydrophobicContact CG1-CD2 4.07Å; V406-Y408 HydrophobicContact CG1-CE2 3.75Å; V406-Y408 PolarHBondContact O-N 3.37Å
407S28Very low30.4Very low116 Ų116140 Ų14081%0.81176%0.76SS**  trans-75105.2173.254.80000111.2Q409S407-Q409 PolarHBondContact O-N 2.7Å
408Y31.8Very low30.3Very low206 Ų206134.6 Ų134.681%0.80876%0.758SS**  trans-72.6110.1174.5-84.4-94.9000111.4V406V406-Y408 HydrophobicContact CG1-CD2 4.07Å; V406-Y408 HydrophobicContact CG1-CE2 3.75Å; V406-Y408 PolarHBondContact O-N 3.37Å
409Q27.7Very low30Very low189 Ų189134.3 Ų134.388%0.88376%0.756SS**  trans-9785.3171.7-166.7172.633.600110.3S407S407-Q409 PolarHBondContact O-N 2.7Å
410S30.7Very low30Very low108 Ų108138.1 Ų138.176%0.75577%0.766SS**  trans-95.9136.3170.9-64.30000110.6
411T28.3Very low29.8Very low120 Ų120135.5 Ų135.574%0.73676%0.763SS**  trans-94.3165.8179.248.90000112.6
412E30.5Very low29.4Very low184 Ų184135.3 Ų135.386%0.8677%0.772SS**  trans77.1110-177.8-53179.4-175.600112.6
413S28.3Very low29.7Very low104 Ų104134.5 Ų134.573%0.72777%0.773SS**  73118.463.8-161.70000110.9
414E29.8Very low29.6Very low170 Ų170132.2 Ų132.279%0.79478%0.775SS**  cis-159.2157.621.4-132.8171.9-16100112.8
415V29.1Very low29.5Very low122 Ų122132.8 Ų132.874%0.73978%0.776SS**  trans67.2109.5146.4165.90000122.5
416S28.4Very low29.2Very low105 Ų105131.4 Ų131.473%0.73478%0.778SS**  trans69.7103.9136.4-65.40000123.5
417K28.8Very low29.1Very low216 Ų216135.7 Ų135.794%0.93979%0.791SS**  -169.8167.891.7-102.5172.7-177.8175.70112.2
418A25.8Very low29.2Very low94 Ų94136.2 Ų136.278%0.77779%0.79SS**  trans-116159.1-169.700000114
419S25.3Very low29Very low105 Ų105132.2 Ų132.273%0.73479%0.786SS**  trans56114.4153.6-168.90000119.8
420V30.7Very low29.1Very low142 Ų142130.4 Ų130.486%0.86178%0.781SS**  -145.5133117.11740000108.6
421T27.1Very low29.1Very low125 Ų125131.8 Ų131.877%0.76778%0.78SS**  trans-95.3139.3173.6-34.50000110.8
422C25Very low29.3Very low117 Ų117133.7 Ų133.779%0.79178%0.784SS**  trans-158.7161.6161.1-105.20000111.6
423P34.7Very low29.3Very low107 Ų107133.5 Ų133.570%0.69578%0.783SS**PPolyproline II helixtrans-85.9163.2-155.433.5-37.6000115.6
424P32.2Very low29.5Very low120 Ų120136.2 Ų136.278%0.77979%0.789SS**PPolyproline II helixtrans-68.1146.7173.429.4-35.8000112.5
425P31.4Very low29.5Very low116 Ų116135.8 Ų135.875%0.75379%0.792SS**PPolyproline II helixtrans-72.6153.4171.131.9-34.7000111.5
426A29.1Very low29.4Very low99 Ų99135.1 Ų135.182%0.81879%0.793SS**PPolyproline II helixtrans-69.9136.1-175.100000113.1
427H28.4Very low29.6Very low185 Ų185134.5 Ų134.586%0.85679%0.794SS**  trans-82113.2165.9-75.9-96.3000109.7V429H427-V429 PolarHBondContact O-N 3.48Å
428T29.7Very low29.6Very low126 Ų126131.3 Ų131.377%0.77379%0.787SS**  trans-73119.3170.344.60000110.3
429V28.4Very low29.9Very low122 Ų122131.3 Ų131.374%0.73978%0.778SS**  trans-66.6133.9168.3178.20000109.1H427H427-V429 PolarHBondContact O-N 3.48Å
430I30.4Very low30.1Very low152 Ų152134.3 Ų134.378%0.77979%0.785SS**  trans-108.998.1165.7-62.8167.2000106.6
431N28.9Very low29.9Very low137 Ų137136.7 Ų136.773%0.73379%0.785SS**  trans-81.1149164.3-93.5-9.5000109.4
432I33.2Very low29.9Very low160 Ų160142.6 Ų142.682%0.82179%0.793SS**  trans-95.699.6176.5-59.3168.9000107.1
433E31.2Very low30Very low180 Ų180141.9 Ų141.984%0.84179%0.789SS**  trans-89.6143.6172.7-72.8-172.4132.200111.6
434L31.9Very low29.8Very low160 Ų160143 Ų14384%0.83880%0.797SS**  trans-75.6120.1173.3-92.158.7000109.4S436L434-S436 PolarHBondContact O-N 2.78Å
435D29.5Very low29.7Very low162 Ų162143.1 Ų143.187%0.86680%0.8SS**  trans-83.3102.9174.6-157.6-9000110.1
436S27.8Very low29.5Very low107 Ų107149.1 Ų149.175%0.74881%0.808SS**  trans-15493176.4-81.20000113L434L434-S436 PolarHBondContact O-N 2.78Å
437A31.2Very low29.6Very low93 Ų93149.9 Ų149.977%0.76981%0.807SS**  trans69.2123.7160.200000117.6
438D29.4Very low29.7Very low149 Ų149146.7 Ų146.780%0.79781%0.806SS**  -134.3136.9119.8-135.8-21.6000114.7
439T33.2Very low29.7Very low94 Ų94144.5 Ų144.558%0.57781%0.808SS**  trans-42152.8175.160.30000117.2
440N28.7Very low29.8Very low167 Ų167146.9 Ų146.989%0.89381%0.811SS**  trans-139.7118.8155.5-111.4-84.7000109.7
441F26.5Very low29.9Very low192 Ų192148 Ų14884%0.84281%0.813SS**  trans-77.5128-174.4-97.2-105.2000112.8
442R26.6Very low29.8Very low249 Ų249145 Ų14594%0.9481%0.814SS**  trans-153.2139.6146.5-129.6175.2-177.8-164-1.2113.6
443S27Very low29.7Very low103 Ų103143.1 Ų143.172%0.7282%0.815SS**PPolyproline II helixtrans-79.8148.1-164.8-37.60000114.5
444P31.8Very low30.3Very low131 Ų131140.5 Ų140.585%0.85181%0.814SS**PPolyproline II helixtrans-82120.9169.632.1-32.1000111.7
445S28.6Very low30.2Very low122 Ų122137.6 Ų137.685%0.85381%0.813SS**PPolyproline II helixtrans-88.4148.3171.1-70.80000111.9
446R27.6Very low30.2Very low241 Ų241136.2 Ų136.291%0.90981%0.811SS**PPolyproline II helixtrans-71.5171179.7-100.8177.3159.9-173-5.9113.9
447S30.9Very low30.3Very low116 Ų116136.9 Ų136.981%0.81181%0.814SS**  trans91142.4167.177.90000116.4
448S31.1Very low30.2Very low118 Ų118141 Ų14183%0.82582%0.818SS**  cis-167.7135.4-19.843.90000110.1
449G30.4Very low30.9Very low79 Ų79138.7 Ų138.781%0.81481%0.81SS**  trans178.7118.8175.100000113.1
450E31.1Very low30.8Very low172 Ų172142.7 Ų142.780%0.80483%0.825SS**  trans-85.6170.2173.8-70.1173.873.100110.4
451Q31.3Very low31.1Very low176 Ų176141.5 Ų141.582%0.82282%0.817SS**  cis-160.9163.212.6-142.7167.961.700110
452G27.8Very low31.3Very low74 Ų74141.8 Ų141.876%0.76381%0.812SS**  trans97.8103.6144.500000120.5
453S30Very low31.6Very low120 Ų120138.4 Ų138.484%0.83981%0.807SS**  trans-108.3173.7140.7-55.20000107.7
454P44.1Very low32.1Very low125 Ų125143.6 Ų143.681%0.81283%0.834SS**  cis-127.7174.7-9.541.6-27.8000113.4
455A29.7Very low32.2Very low100 Ų100144.2 Ų144.283%0.82683%0.834SS**  trans-163.9142.8150.300000114
456T30.8Very low32.3Very low133 Ų133145.4 Ų145.482%0.81683%0.833SS**  trans-67.1151.1164.6-36.20000111.6
457C28Very low32.6Very low120 Ų120140.1 Ų140.181%0.81183%0.828SS**  166.4126127.5-910000114.6
458E30.8Very low32.7Very low181 Ų181141.5 Ų141.585%0.84683%0.829SS**  trans-72.6171.7141.2-108.7-163.4122.800109.8
459P43.8Very low32.8Very low99 Ų99142.9 Ų142.964%0.64383%0.83SS**  cis-131.1-175.3-2.537.6-19.7000113.1
460M30.6Very low33Very low178 Ų178147.2 Ų147.288%0.87783%0.831SS**  175.6156.6116.1-93.8-170.871.900113.3
461I35.9Very low33.1Very low143 Ų143145.4 Ų145.473%0.73383%0.833SS**  trans-108.4158.2-177.8-75.6167.4000109.8
462R30.3Very low33.3Very low197 Ų197143.1 Ų143.174%0.74383%0.833SS**  trans78.6149.8177.5-74.5158-176.8-130.25.4115.5
463H31.4Very low33.7Very low178 Ų178148.8 Ų148.882%0.82484%0.839SS**  cis-147.6136.17.2-112.7-48.5000111.2
464T39.3Very low34.1Very low212 Ų212151.5 Ų151.5100%1.30184%0.839SS**  trans-152.10136.940.80000107.2

Retrieved 464 of 464 residues in 371.4 ms (Link to these results)