A0A3Q0KMW3_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KMW3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 230 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
1M33.5Very low40.8Very low242 Ų242161.9 Ų161.9100%1.19282%0.823SS**  095.80-170.4172.1-174.200108.2
2L39.7Very low40.6Very low169 Ų169159.2 Ų159.289%0.88581%0.811SS**  trans-179.483.3167.9-102.1147.3000106K4L2-K4 PolarHBondContact O-N 3.38Å
3M39.3Very low40.9Very low192 Ų192155 Ų15595%0.94679%0.792SS**  trans-77.8109.4171.7-81-179.515100107.4S5M3-S5 PolarHBondContact O-N 3.14Å; M3-S5 VanDerWaalsContact O-N 3.14Å
4K39.5Very low41.2Very low203 Ų203152.6 Ų152.688%0.88378%0.781SS**  trans-71102171.8-71.9177.2175.2-179.30107.8L2 Q6L2-K4 PolarHBondContact O-N 3.38Å; K4-Q6 PolarHBondContact O-N 3.17Å
5S40.6Very low41Very low102 Ų102152.6 Ų152.671%0.71378%0.777SS**  trans-73.6108.717360.90000109.1M3 V7M3-S5 PolarHBondContact O-N 3.14Å; M3-S5 VanDerWaalsContact O-N 3.14Å; S5-V7 PolarHBondContact O-N 3.27Å
6Q39.6Very low40.7Very low185 Ų185156.2 Ų156.286%0.86478%0.778SS**  trans-73.4101.1171.2-171.3160.916.300107.7K4 D8K4-Q6 PolarHBondContact O-N 3.17Å; Q6-D8 PolarHBondContact O-N 3.03Å
7V40.8Very low40.7Very low117 Ų117156.3 Ų156.371%0.70978%0.776SS**  trans-75.3115.2175.1177.30000107.4S5 L9S5-V7 PolarHBondContact O-N 3.27Å; V7-L9 PolarHBondContact O-N 3.38Å
8D42.4Very low40.7Very low125 Ų125157.2 Ų157.267%0.66878%0.777SS**  trans-58.2102.9177.9-91.8-50.8000111.2Q6 K10Q6-D8 PolarHBondContact O-N 3.03Å; D8-K10 PolarHBondContact O-N 3.4Å
9L43Very low40.6Very low147 Ų147158.3 Ų158.377%0.7778%0.777SS**G310 helixtrans-65-1173.3-82.1154.7000113.8V7 N11V7-L9 PolarHBondContact O-N 3.38Å; L9-N11 VanDerWaalsContact C-N 3.31Å; L9-N11 PolarHBondContact O-N 3.05Å
10K48Very low40.7Very low173 Ų173159.1 Ų159.175%0.75278%0.784SS**G310 helixtrans-75.6-15-175.5-68.4-174.3179.3179.70114.4D8D8-K10 PolarHBondContact O-N 3.4Å
11N42.5Very low40.5Very low126 Ų126158.8 Ų158.867%0.67478%0.78SS**G310 helixtrans-89.6-6.2-178.8-149-34.6000113.4L9L9-N11 VanDerWaalsContact C-N 3.31Å; L9-N11 PolarHBondContact O-N 3.05Å
12L38.6Very low41.2Very low129 Ų129152.9 Ų152.968%0.67576%0.76SS**SBendtrans-84.4-26-178.2-153.573.1000113.1
13D44.9Very low41.4Very low105 Ų105150.8 Ų150.856%0.56176%0.755SS**SBendtrans-78.4-25.7-179.3-81.4-44.6000113.4Q15 R16D13-Q15 VanDerWaalsContact C-N 3.33Å; D13-Q15 PolarHBondContact O-N 3.4Å; D13-R16 PolarHBondContact O-N 3.44Å
14D44.9Very low41.5Very low121 Ų121148.4 Ų148.465%0.64775%0.746SS**G310 helixtrans-73.9-22.5178.9-77-30.9000113.1
15Q37.2Very low41.7Very low153 Ų153144.1 Ų144.172%0.71574%0.741SS**G310 helixtrans-80.2-18.9175.4-92.1-1432400114.1D13 Q17D13-Q15 VanDerWaalsContact C-N 3.33Å; D13-Q15 PolarHBondContact O-N 3.4Å; Q15-Q17 VanDerWaalsContact C-N 3.3Å; Q15-Q17 PolarHBondContact O-N 3.34Å
16R37.5Very low41.9Very low210 Ų210144.5 Ų144.579%0.79274%0.739SS**G310 helixtrans-83.2-5.6179.5-78.2-172.456.9-141.1-8114.1D13D13-R16 PolarHBondContact O-N 3.44Å
17Q40.6Very low42.1Very low158 Ų158142.6 Ų142.674%0.73874%0.735SS**G310 helixtrans-99.416.2177.6-63.3-160.826.200114.4Q15 K19Q15-Q17 VanDerWaalsContact C-N 3.3Å; Q15-Q17 PolarHBondContact O-N 3.34Å; Q17-K19 PolarHBondContact O-N 3.17Å
18Q40.8Very low42.5Very low173 Ų173145.8 Ų145.881%0.80874%0.74SS**SBendtrans-72.371162.9-66.6-154.2-2.500110.8L20Q18-L20 PolarHBondContact O-N 2.9Å
19K37.5Very low42.5Very low178 Ų178143.8 Ų143.877%0.77474%0.736SS**  trans33.285.6130.2-154.9168.6-175.5-1780113.5Q17 Q21Q17-K19 PolarHBondContact O-N 3.17Å; K19-Q21 VanDerWaalsContact C-N 3.32Å; K19-Q21 PolarHBondContact O-N 3.19Å
20L42.3Very low42.8Very low173 Ų173141.5 Ų141.591%0.90673%0.729SS**  trans-43.4100.9152.2-69.2161000107.5Q18 P22Q18-L20 PolarHBondContact O-N 2.9Å; L20-P22 WeakPolarHBondContact O-CD 3.48Å
21Q37.3Very low42.4Very low153 Ų153139.6 Ų139.672%0.71573%0.733SS**  trans-69.8124.1166.7-73.3-143.7-25.200106.7K19 T23K19-Q21 VanDerWaalsContact C-N 3.32Å; K19-Q21 PolarHBondContact O-N 3.19Å; Q21-T23 VanDerWaalsContact C-N 3.28Å; Q21-T23 PolarHBondContact O-N 3.47Å
22P47.5Very low42.5Very low118 Ų118141.7 Ų141.777%0.76674%0.736SS**  trans-6997.1164.29.24.6000105.6L20 D24L20-P22 WeakPolarHBondContact O-CD 3.48Å; P22-D24 PolarHBondContact O-N 3.05Å; P22-D24 VanDerWaalsContact O-N 3.07Å
23T44.2Very low42.8Very low126 Ų126140.4 Ų140.477%0.77374%0.736SS**  trans-69.2106.7167.242.20000106.8Q21 S25Q21-T23 VanDerWaalsContact C-N 3.28Å; Q21-T23 PolarHBondContact O-N 3.47Å; T23-S25 PolarHBondContact O-N 2.84Å
24D42.2Very low42.9Very low142 Ų142140.4 Ų140.476%0.75975%0.75SS**  trans-40.9125.2172.7-80.7-43.5000110.7P22 T26P22-D24 PolarHBondContact O-N 3.05Å; P22-D24 VanDerWaalsContact O-N 3.07Å; D24-T26 PolarHBondContact O-N 3.34Å
25S43.5Very low42.8Very low112 Ų112139.6 Ų139.678%0.78375%0.75SS**  trans-48104.1163.739.90000108.7T23 D27T23-S25 PolarHBondContact O-N 2.84Å; S25-D27 PolarHBondContact O-N 2.73Å
26T44.2Very low42.9Very low110 Ų110137.3 Ų137.368%0.67575%0.751SS**  trans-64.8106.6171.6-54.50000107D24 F28D24-T26 PolarHBondContact O-N 3.34Å; T26-F28 VanDerWaalsContact C-N 3.27Å; T26-F28 HydrophobicContact CG2-CD2 4.03Å; T26-F28 HydrophobicContact CG2-CE2 3.86Å; T26-F28 HydrophobicContact CG2-CZ 4.45Å; T26-F28 PolarHBondContact O-N 3.13Å
27D45.2Very low43Very low145 Ų145133.6 Ų133.678%0.77575%0.747SS**  trans-66.487.6174.7-146.9-4.5000107.5S25 S29S25-D27 PolarHBondContact O-N 2.73Å; D27-S29 PolarHBondContact O-N 2.71Å
28F47.2Very low42.7Very low185 Ų185134.9 Ų134.981%0.81175%0.752SS**  trans-72.376169.3-84.3-87.3000107.5T26 P30T26-F28 VanDerWaalsContact C-N 3.27Å; T26-F28 HydrophobicContact CG2-CD2 4.03Å; T26-F28 HydrophobicContact CG2-CE2 3.86Å; T26-F28 HydrophobicContact CG2-CZ 4.45Å; T26-F28 PolarHBondContact O-N 3.13Å; F28-P30 WeakPolarHBondContact O-CD 3.43Å
29S43.6Very low42.7Very low83 Ų83134.2 Ų134.258%0.5875%0.753SS**  trans-77.8107.9160-80.80000107.3D27 T31D27-S29 PolarHBondContact O-N 2.71Å; S29-T31 PolarHBondContact O-N 3.34Å
30P49.4Very low42.8Very low98 Ų98128.8 Ų128.864%0.63675%0.748SS**  trans-68.999.1173.628.6-32.8000108.3F28 F32F28-P30 WeakPolarHBondContact O-CD 3.43Å; P30-F32 VanDerWaalsContact C-N 3.28Å; P30-F32 HydrophobicContact CB-CD2 4.11Å; P30-F32 HydrophobicContact CB-CE2 3.72Å; P30-F32 HydrophobicContact CB-CZ 4.41Å; P30-F32 HydrophobicContact CG-CD2 4.43Å; P30-F32 HydrophobicContact CG-CE2 3.97Å; P30-F32 PolarHBondContact O-N 2.74Å
31T39.5Very low42.6Very low134 Ų134130 Ų13082%0.82275%0.749SS**  trans-69.790168.4-540000107.9S29S29-T31 PolarHBondContact O-N 3.34Å
32F45.1Very low42.8Very low170 Ų170132.1 Ų132.175%0.74676%0.756SS**  trans-71.2131.1165.9-72.7-82.8000108.5P30 A34P30-F32 VanDerWaalsContact C-N 3.28Å; P30-F32 HydrophobicContact CB-CD2 4.11Å; P30-F32 HydrophobicContact CB-CE2 3.72Å; P30-F32 HydrophobicContact CB-CZ 4.41Å; P30-F32 HydrophobicContact CG-CD2 4.43Å; P30-F32 HydrophobicContact CG-CE2 3.97Å; P30-F32 PolarHBondContact O-N 2.74Å; F32-A34 PolarHBondContact O-N 2.98Å
33P44.9Very low42.6Very low102 Ų102130.5 Ų130.566%0.66275%0.753SS**  trans-62.3120.9167.625.1-30000108T35P33-T35 PolarHBondContact O-N 2.95Å
34A46Very low42.5Very low105 Ų105128.9 Ų128.987%0.86875%0.752SS**  trans-68.678.5170.400000108.8F32 S36F32-A34 PolarHBondContact O-N 2.98Å; A34-S36 PolarHBondContact O-N 2.88Å; A34-S36 VanDerWaalsContact O-N 3.12Å
35T42.9Very low42.4Very low104 Ų104129.8 Ų129.864%0.63875%0.752SS**  trans-74.6102.3166.951.80000107.2P33 N37P33-T35 PolarHBondContact O-N 2.95Å; T35-N37 PolarHBondContact O-N 2.83Å
36S38.8Very low42.3Very low105 Ų105133.6 Ų133.673%0.73476%0.757SS**  trans-61.978.3167.31750000109.6A34 E38A34-S36 PolarHBondContact O-N 2.88Å; A34-S36 VanDerWaalsContact O-N 3.12Å; S36-E38 VanDerWaalsContact C-N 3.28Å; S36-E38 PolarHBondContact O-N 2.82Å
37N39.5Very low41.8Very low132 Ų132135.8 Ų135.871%0.70676%0.759SS**  trans-89.580.3165.5-73.1-2.1000107.2T35 L39T35-N37 PolarHBondContact O-N 2.83Å; N37-L39 PolarHBondContact O-N 2.87Å
38E35.6Very low41.7Very low184 Ų184134.6 Ų134.686%0.8676%0.76SS**  trans-68.672.5162.2-169.1179.5-16100107.6S36S36-E38 VanDerWaalsContact C-N 3.28Å; S36-E38 PolarHBondContact O-N 2.82Å
39L41.1Very low41.3Very low159 Ų159133.5 Ų133.583%0.83276%0.761SS**  trans-148.192178.7-107.8160.8000108.9N37N37-L39 PolarHBondContact O-N 2.87Å
40G38.3Very low41.3Very low64 Ų64137.6 Ų137.666%0.6678%0.776SS**  trans56.998.2151.600000115.5K42G40-K42 PolarHBondContact O-N 3.16Å
41E39.1Very low40.9Very low199 Ų199139 Ų13993%0.9378%0.783SS**  trans-52.282.1151.7-175.1-176.6176.900108.9A43E41-A43 PolarHBondContact O-N 3.26Å
42K41.8Very low40.9Very low197 Ų197137.9 Ų137.986%0.85778%0.78SS**  trans-73.8106.9160.7-76.6-162.5173.6-1700104.5G40 A44G40-K42 PolarHBondContact O-N 3.16Å; K42-A44 PolarHBondContact O-N 2.64Å; K42-A44 VanDerWaalsContact O-N 3.15Å
43A41.8Very low40.7Very low84 Ų84138 Ų13869%0.69478%0.783SS**  trans-37.3122.617200000108.7E41 E45E41-A43 PolarHBondContact O-N 3.26Å; A43-E45 PolarHBondContact O-N 3.42Å
44A42.9Very low40.3Very low92 Ų92142.1 Ų142.176%0.7679%0.793SS**  trans-49.6116.5177.300000107.5K42 E46K42-A44 PolarHBondContact O-N 2.64Å; K42-A44 VanDerWaalsContact O-N 3.15Å; A44-E46 PolarHBondContact O-N 2.83Å
45E40.9Very low39.9Very low162 Ų162141 Ų14176%0.75778%0.776SS**  trans-49.6118.8171.7-73.8174.8168.900106.7A43 H47A43-E45 PolarHBondContact O-N 3.42Å; E45-H47 VanDerWaalsContact C-N 3.3Å; E45-H47 PolarHBondContact O-N 3.07Å
46E40.7Very low39.7Very low191 Ų191140.4 Ų140.489%0.89378%0.781SS**  trans-57.397.2176.7-80-178.7142.600107.7A44 P48A44-E46 PolarHBondContact O-N 2.83Å; E46-P48 VanDerWaalsContact O-CD 3.31Å; E46-P48 WeakPolarHBondContact O-CD 3.22Å
47H34.3Very low39.6Very low156 Ų156143.8 Ų143.872%0.72278%0.779SS**PPolyproline II helixtrans-68.1119.6168.4-67.7-58.6000106.8E45 L49E45-H47 VanDerWaalsContact C-N 3.3Å; E45-H47 PolarHBondContact O-N 3.07Å; H47-L49 PolarHBondContact O-N 3.08Å
48P41.8Very low39.4Very low121 Ų121144.7 Ų144.779%0.78678%0.784SS**PPolyproline II helixtrans-56.6120.3177.419.9-29.2000108.3E46 L50E46-P48 VanDerWaalsContact O-CD 3.31Å; E46-P48 WeakPolarHBondContact O-CD 3.22Å; P48-L50 PolarHBondContact O-N 2.85Å
49L39.7Very low39.4Very low161 Ų161143.8 Ų143.884%0.84378%0.78SS**PPolyproline II helixtrans-54.6126.6176.2-75.9166.7000107.9H47 V51H47-L49 PolarHBondContact O-N 3.08Å; L49-V51 VanDerWaalsContact C-N 3.25Å; L49-V51 PolarHBondContact O-N 2.85Å
50L43.2Very low39.3Very low170 Ų170143.4 Ų143.489%0.8978%0.777SS**  trans-59.191.6170.7-72.9166.9000108.1P48 S52P48-L50 PolarHBondContact O-N 2.85Å; L50-S52 PolarHBondContact O-N 2.68Å; L50-S52 VanDerWaalsContact O-N 3.12Å
51V40.8Very low39.3Very low128 Ų128146.3 Ų146.378%0.77678%0.776SS**  trans-63.2118.3173.3179.20000106.1L49 E53L49-V51 VanDerWaalsContact C-N 3.25Å; L49-V51 PolarHBondContact O-N 2.85Å; V51-E53 PolarHBondContact O-N 2.89Å
52S39.9Very low39.2Very low109 Ų109143.9 Ų143.976%0.76277%0.77SS**  trans-63.6108.8179-49.10000107.8L50 Q54L50-S52 PolarHBondContact O-N 2.68Å; L50-S52 VanDerWaalsContact O-N 3.12Å; S52-Q54 PolarHBondContact O-N 3.04Å
53E41.3Very low39.2Very low172 Ų172142.6 Ų142.680%0.80477%0.767SS**  trans-6485.2176.7-67.3-172.6172.600109.6V51 T55V51-E53 PolarHBondContact O-N 2.89Å; E53-T55 PolarHBondContact O-N 2.83Å
54Q35.6Very low39.2Very low189 Ų189146.8 Ų146.888%0.88377%0.772SS**  trans-76.682.6161.1-163.4132.350.800106.4S52 A56S52-Q54 PolarHBondContact O-N 3.04Å; Q54-A56 VanDerWaalsContact C-N 3.32Å; Q54-A56 PolarHBondContact O-N 2.97Å
55T38.4Very low39Very low82 Ų82149.7 Ų149.750%0.50377%0.767SS.*  trans-59.595.417127.60000108.1E53 Y57E53-T55 PolarHBondContact O-N 2.83Å; T55-Y57 VanDerWaalsContact C-N 3.27Å; T55-Y57 VanDerWaalsContact CB-CE2 3.45Å; T55-Y57 HydrophobicContact CG2-CE2 4.13Å; T55-Y57 WeakPolarHBondContact O-CD2 3.28Å; T55-Y57 PolarHBondContact O-N 3.38Å; T55-Y57 WeakPolarHBondContact OG1-CE2 3.28Å
56A38.2Very low38.8Very low91 Ų91147.4 Ų147.475%0.75277%0.768SS**  trans-69.791.5165.900000107.2Q54 D58Q54-A56 VanDerWaalsContact C-N 3.32Å; Q54-A56 PolarHBondContact O-N 2.97Å; A56-D58 PolarHBondContact O-N 3.14Å
57Y36.4Very low38.6Very low177 Ų177145.5 Ų145.569%0.69476%0.759SS**  trans-70.716.9-179.4-90.9-82.7000114.5T55T55-Y57 VanDerWaalsContact C-N 3.27Å; T55-Y57 VanDerWaalsContact CB-CE2 3.45Å; T55-Y57 HydrophobicContact CG2-CE2 4.13Å; T55-Y57 WeakPolarHBondContact O-CD2 3.28Å; T55-Y57 PolarHBondContact O-N 3.38Å; T55-Y57 WeakPolarHBondContact OG1-CE2 3.28Å
58D35.7Very low38.7Very low151 Ų151145 Ų14581%0.80776%0.762SS**SBendtrans-100.613-164.9-75.4-11.8000115.5A56A56-D58 PolarHBondContact O-N 3.14Å
59Q35.4Very low38.6Very low165 Ų165143.7 Ų143.777%0.77176%0.755SS**  trans-155.234.8179.3-137.4161.779.500117I61Q59-I61 HydrophobicContact CG-CD1 4.1Å; Q59-I61 HydrophobicContact CG-CG1 4.09Å; Q59-I61 PolarHBondContact O-N 3.06Å
60I40.2Very low38.4Very low151 Ų151143.4 Ų143.477%0.77475%0.754SS**  trans-78.883.7158.2-54.2175.5000105.8D62I60-D62 PolarHBondContact O-N 2.79Å
61I38.2Very low38.2Very low125 Ų125144.7 Ų144.764%0.64176%0.756SS**  trans-62.2120170.1-64.5169.9000106.1Q59 E63Q59-I61 HydrophobicContact CG-CD1 4.1Å; Q59-I61 HydrophobicContact CG-CG1 4.09Å; Q59-I61 PolarHBondContact O-N 3.06Å; I61-E63 VanDerWaalsContact C-N 3.34Å; I61-E63 PolarHBondContact O-N 2.86Å
62D36.6Very low38.1Very low148 Ų148145.1 Ų145.179%0.79175%0.749SS**  trans-46.594.1167.9-86.9-37.2000110.5I60I60-D62 PolarHBondContact O-N 2.79Å
63E41.4Very low38.1Very low170 Ų170145.5 Ų145.579%0.79475%0.75SS**  trans-11352.1154.1-68.1-163.2-174.700108.6I61 K65I61-E63 VanDerWaalsContact C-N 3.34Å; I61-E63 PolarHBondContact O-N 2.86Å; E63-K65 PolarHBondContact O-N 3Å
64E41.1Very low38Very low171 Ų171142.4 Ų142.480%0.79974%0.739SS**  trans-66.981.2154.9-97.4-157.9151.900108C66E64-C66 VanDerWaalsContact C-N 3.33Å; E64-C66 PolarHBondContact O-N 2.87Å; E64-C66 VanDerWaalsContact O-N 3.09Å
65K39.7Very low38.3Very low153 Ų153139.5 Ų139.567%0.66573%0.734SS**  trans-78.189.5169.4-164175.2-177.6-166.80107.5E63 H67E63-K65 PolarHBondContact O-N 3Å; K65-H67 WeakPolarHBondContact CD-NE2 3.39Å; K65-H67 WeakPolarHBondContact CE-NE2 3.19Å; K65-H67 PolarHBondContact O-N 2.77Å
66C36Very low38.3Very low114 Ų114141.4 Ų141.477%0.7774%0.741SS**  trans-51.3102.1170.7-60.10000109.7E64E64-C66 VanDerWaalsContact C-N 3.33Å; E64-C66 PolarHBondContact O-N 2.87Å; E64-C66 VanDerWaalsContact O-N 3.09Å
67H36.5Very low38.3Very low152 Ų152143.7 Ų143.770%0.70474%0.741SS**  trans-98104.9167.2-83.5-61.5000109.5K65K65-H67 WeakPolarHBondContact CD-NE2 3.39Å; K65-H67 WeakPolarHBondContact CE-NE2 3.19Å; K65-H67 PolarHBondContact O-N 2.77Å
68D36.5Very low38.3Very low146 Ų146143 Ų14378%0.78175%0.749SS**  trans-34.3129.9171.4-125.8-18.6000115.7
69S39.1Very low38.6Very low93 Ų93143.3 Ų143.365%0.6575%0.751SS**  trans56.3116.6131.670.30000121.1
70N36.3Very low38.6Very low155 Ų155142.5 Ų142.583%0.82975%0.752SS**  75.783118.7-16447000118.2
71E39.9Very low38.4Very low196 Ų196142.7 Ų142.792%0.91675%0.754SS**  trans-115.796.6159.6-147.3166.6-158.800110.3
72H37.8Very low38.2Very low138 Ų138145.1 Ų145.164%0.63976%0.763SS**  trans53.888.4143.7-147.627.8000118.5D74H72-D74 VanDerWaalsContact C-N 3.31Å; H72-D74 IonicContact CE1-OD1 3.86Å; H72-D74 IonicContact NE2-OD1 3.7Å; H72-D74 IonicContact NE2-OD2 2.73Å; H72-D74 PolarHBondContact O-N 3.01Å
73C38.9Very low38.2Very low116 Ų116140.7 Ų140.778%0.78475%0.752SS**  trans-70.789.1156.1-54.50000109V75C73-V75 VanDerWaalsContact C-N 3.32Å; C73-V75 HydrophobicContact CB-CG2 4.45Å; C73-V75 PolarHBondContact O-N 3.33Å
74D40.8Very low37.9Very low108 Ų108140.3 Ų140.358%0.57876%0.755SS**  trans-7888.4171.5-133.51.7000108.3H72 N76H72-D74 VanDerWaalsContact C-N 3.31Å; H72-D74 IonicContact CE1-OD1 3.86Å; H72-D74 IonicContact NE2-OD1 3.7Å; H72-D74 IonicContact NE2-OD2 2.73Å; H72-D74 PolarHBondContact O-N 3.01Å; D74-N76 VanDerWaalsContact C-N 3.34Å; D74-N76 PolarHBondContact O-N 3.01Å; D74-N76 VanDerWaalsContact O-N 3.08Å
75V41.3Very low37.9Very low128 Ų128137.3 Ų137.378%0.77675%0.749SS**  trans-75.586.9174.8-179.10000107.3C73C73-V75 VanDerWaalsContact C-N 3.32Å; C73-V75 HydrophobicContact CB-CG2 4.45Å; C73-V75 PolarHBondContact O-N 3.33Å
76N38.1Very low38.1Very low122 Ų122135.4 Ų135.465%0.65276%0.755SS**  trans-102.4108.6170.3-79.4-45000110.7D74D74-N76 VanDerWaalsContact C-N 3.34Å; D74-N76 PolarHBondContact O-N 3.01Å; D74-N76 VanDerWaalsContact O-N 3.08Å
77D38.2Very low38.2Very low138 Ų138138.3 Ų138.374%0.73875%0.754SS**  trans49.3104.6140.1-72.5-20.1000120.2N79D77-N79 PolarHBondContact O-N 2.94Å
78D37.1Very low38Very low163 Ų163139.6 Ų139.687%0.87276%0.76SS**  11101.1122.6-72.8-26.6000116.3
79N41.9Very low37.9Very low157 Ų157143 Ų14384%0.8476%0.762SS**  trans-145.7106.3142.4-154.44.9000113.4D77 N81D77-N79 PolarHBondContact O-N 2.94Å; N79-N81 PolarHBondContact O-N 2.81Å
80N34.4Very low37.8Very low149 Ų149143.7 Ų143.780%0.79777%0.765SS**  trans-43.8110.5160.8-142.20.5000112.3
81N36.2Very low38.1Very low154 Ų154143.4 Ų143.482%0.82476%0.763SS**  trans-163.5134.9141.8-135.4-13.8000115N79N79-N81 PolarHBondContact O-N 2.81Å
82H34.1Very low37.9Very low177 Ų177141 Ų14182%0.81975%0.752SS**  trans-56.6129.8169.1-77.7-71.8000112.5
83G37.6Very low37.8Very low55 Ų55141.8 Ų141.857%0.56776%0.761SS**  trans-165.875.1172.100000110.8T85G83-T85 PolarHBondContact O-N 2.79Å
84N34.2Very low37.9Very low162 Ų162143.8 Ų143.887%0.86676%0.759SS**  trans-67.466.2169.9-58.5-8.6000109.4S86N84-S86 PolarHBondContact O-N 3.32Å
85T40.3Very low37.9Very low108 Ų108146.5 Ų146.566%0.66377%0.768SS**  trans-9394.4166.655.80000107.2G83 K87G83-T85 PolarHBondContact O-N 2.79Å; T85-K87 PolarHBondContact O-N 2.92Å
86S43.9Very low37.8Very low112 Ų112144.4 Ų144.478%0.78376%0.759SS**  trans-48.784.9152.2-177.50000108.6N84N84-S86 PolarHBondContact O-N 3.32Å
87K40.1Very low37.9Very low176 Ų176143.4 Ų143.477%0.76576%0.757SS**  trans-112.782.6158-69-165.9178.8-173.70103.9T85 R89T85-K87 PolarHBondContact O-N 2.92Å; K87-R89 PolarHBondContact O-N 3.07Å
88Q30.6Very low38Very low178 Ų178143.6 Ų143.683%0.83276%0.757SS**  trans-46.6115.8156.5-81.3-179.9-4500105.6
89R35.2Very low38.3Very low218 Ų218140.6 Ų140.682%0.82375%0.745SS**  trans-58.5125.9169.3-80.4-179.5169171.7-4.5105.3K87 D91K87-R89 PolarHBondContact O-N 3.07Å; R89-D91 PolarHBondContact O-N 2.79Å
90P37.5Very low38.2Very low108 Ų108139.8 Ų139.870%0.70174%0.736SS**  trans-47.8135.3174.1-23.732.3000108.3H92P90-H92 VanDerWaalsContact C-N 3.35Å; P90-H92 PolarHBondContact O-N 2.76Å
91D41.1Very low38.6Very low148 Ų148135.3 Ų135.379%0.79171%0.714SS**  trans-37.9102.7170.9-65.1-49.6000107.9R89 D93R89-D91 PolarHBondContact O-N 2.79Å; D91-D93 PolarHBondContact O-N 2.86Å
92H37Very low38.6Very low146 Ų146131.4 Ų131.468%0.67670%0.696SS**  trans-69.7101.7166.6-88.4-79.5000103.4P90 E94P90-H92 VanDerWaalsContact C-N 3.35Å; P90-H92 PolarHBondContact O-N 2.76Å; H92-E94 HydrophobicContact CB-CG 3.6Å; H92-E94 PolarHBondContact O-N 2.73Å
93D35.4Very low39.2Very low155 Ų155126.4 Ų126.483%0.82967%0.674SS**  trans-54.971153.6-61.8-42.4000106.7D91 E95D91-D93 PolarHBondContact O-N 2.86Å; D93-E95 PolarHBondContact O-N 3.03Å
94E41.6Very low39.4Very low158 Ų158127.5 Ų127.574%0.73867%0.67SS**  trans-73.686.5174.6-64.2-154.7174.900106H92 S96H92-E94 HydrophobicContact CB-CG 3.6Å; H92-E94 PolarHBondContact O-N 2.73Å; E94-S96 PolarHBondContact O-N 2.66Å
95E39.5Very low40.1Very low165 Ų165124.8 Ų124.877%0.77165%0.651SS**  trans-4.997.4139.5-169.9176.916600110.4D93 T97D93-E95 PolarHBondContact O-N 3.03Å; E95-T97 VanDerWaalsContact C-N 3.27Å; E95-T97 PolarHBondContact O-N 3.1Å
96S38.8Very low40Very low84 Ų84127.4 Ų127.459%0.58765%0.653SS**  trans-60.198.1176.7-174.50000106.7E94 L98E94-S96 PolarHBondContact O-N 2.66Å; S96-L98 PolarHBondContact O-N 3.27Å
97T41.2Very low40.2Very low100 Ų100129 Ų12961%0.61365%0.646SS**  trans-77.984.4-176.626.70000106.5E95 T99E95-T97 VanDerWaalsContact C-N 3.27Å; E95-T97 PolarHBondContact O-N 3.1Å; T97-T99 VanDerWaalsContact C-N 3.35Å; T97-T99 PolarHBondContact O-N 2.72Å; T97-T99 PolarHBondContact O-OG1 2.65Å
98L39.3Very low40.6Very low142 Ų142132 Ų13274%0.74365%0.653SS**  trans-54.4107.1160.7-69.3174.8000106.4S96 E100S96-L98 PolarHBondContact O-N 3.27Å; L98-E100 PolarHBondContact O-N 3.39Å
99T45.4Very low41.5Very low100 Ų100128.2 Ų128.261%0.61364%0.638SS**  trans-81.3104.9175-54.20000106.5T97 V101T97-T99 VanDerWaalsContact C-N 3.35Å; T97-T99 PolarHBondContact O-N 2.72Å; T97-T99 PolarHBondContact O-OG1 2.65Å; T99-V101 HydrophobicContact CG2-CG2 4.26Å; T99-V101 PolarHBondContact O-N 2.84Å
100E38.7Very low42.5Very low141 Ų141125.7 Ų125.766%0.65964%0.641SS**  trans-67.4121.9172.4-172.7175.3-169.700108.9L98L98-E100 PolarHBondContact O-N 3.39Å
101V42Very low43.4Very low54 Ų54126.9 Ų126.933%0.32764%0.641SS.*EExtended strand (participates in β ladder)trans-119.1111.6175.5-177.30000108.3T99 I103T99-V101 HydrophobicContact CG2-CG2 4.26Å; T99-V101 PolarHBondContact O-N 2.84Å; V101-I103 HydrophobicContact CG1-CG1 4.13Å
102T38.2Very low43.9Very low73 Ų73127.3 Ų127.345%0.44864%0.644SS.*EExtended strand (participates in β ladder)trans-84.2118.8174-44.80000109.3E116T102-E116 HydrophobicContact CG2-CG 4.37Å
103I46.1Very low44.6Very low71 Ų71128.4 Ų128.436%0.36465%0.649SS.*EExtended strand (participates in β ladder)trans-108.8107.2175.1-56.7176000108.4V101 K105 V119V101-I103 HydrophobicContact CG1-CG1 4.13Å; I103-K105 HydrophobicContact CG2-CG 4.24Å; I103-K105 PolarHBondContact O-N 2.74Å; I103-V119 HydrophobicContact CD1-CB 4.38Å
104T42.3Very low45.2Very low78 Ų78128.8 Ų128.848%0.47965%0.646SS.*  trans-84.4109.1173-45.10000109.8F106T104-F106 HydrophobicContact CG2-CE1 4.44Å; T104-F106 HydrophobicContact CG2-CE2 4.04Å; T104-F106 HydrophobicContact CG2-CZ 3.92Å
105K47.5Very low45.6Very low106 Ų106126.1 Ų126.146%0.46163%0.632SS.*  trans-92.9122.7172.3-71.3177.2-173.2155.70110.1I103 E117I103-K105 HydrophobicContact CG2-CG 4.24Å; I103-K105 PolarHBondContact O-N 2.74Å; K105-E117 IonicContact NZ-OE2 3.67Å; K105-E117 PolarHBondContact NZ-OE2 2.83Å
106F39.3Very low45.8Very low163 Ų163125.3 Ų125.372%0.71563%0.628SS**  trans-89.1108.3172.2-62.4-88.8000109.3T104 R108T104-F106 HydrophobicContact CG2-CE1 4.44Å; T104-F106 HydrophobicContact CG2-CE2 4.04Å; T104-F106 HydrophobicContact CG2-CZ 3.92Å; F106-R108 PolarHBondContact O-N 2.74Å
107K47.9Very low46.3Very low144 Ų144125 Ų12563%0.62662%0.617SS**  trans-77.2114.7167.9-159.6176.8-176.6-179.10107.6N109 F115K107-N109 PolarHBondContact O-N 3.08Å; K107-F115 HydrophobicContact CB-CE1 4.15Å; K107-F115 HydrophobicContact CD-CE1 4.28Å
108R47.7Very low46.4Very low240 Ų240123.3 Ų123.391%0.90661%0.607SS**  trans-74.868.1174.7-170.1-167-70.8158.2-1.8109.8F106F106-R108 PolarHBondContact O-N 2.74Å
109N50.7Low46.6Very low98 Ų98119.1 Ų119.152%0.52459%0.587SS.*SBendtrans-125.6141.6164.3-78.8-14.8000107.1K107 D111K107-N109 PolarHBondContact O-N 3.08Å; N109-D111 CarbonylContact O-C 3.6Å; N109-D111 PolarHBondContact O-N 3.29Å
110N56Low46.2Very low165 Ų165122.9 Ų122.988%0.88259%0.592SS**SBendtrans-60.31.4-170.4-71.9-20000116
111D56.7Low46.3Very low133 Ų133122.9 Ų122.971%0.71159%0.591SS**SBendtrans-102.4105.3174.1-56.1-43.9000105.5N109 E113N109-D111 CarbonylContact O-C 3.6Å; N109-D111 PolarHBondContact O-N 3.29Å; D111-E113 PolarHBondContact O-N 3.22Å
112D50.9Low46.2Very low158 Ų158127.3 Ų127.385%0.84561%0.612SS**  trans-64.940.2-175.8-69.6-47.1000113.7Q114D112-Q114 VanDerWaalsContact C-N 3.32Å; D112-Q114 PolarHBondContact O-N 2.79Å
113E52.2Low46.4Very low168 Ų168127.3 Ų127.379%0.78562%0.615SS**  trans-75.588.7169.2-74.3-170.7172.900108.9D111 F115D111-E113 PolarHBondContact O-N 3.22Å; E113-F115 PolarHBondContact O-N 3.39Å
114Q47.5Very low46.2Very low163 Ų163133.3 Ų133.376%0.76264%0.638SS**  trans-65.7116.3162.5-66.1-179.712.800107.9D112D112-Q114 VanDerWaalsContact C-N 3.32Å; D112-Q114 PolarHBondContact O-N 2.79Å
115F49Very low46.3Very low103 Ų103135.5 Ų135.545%0.45264%0.643SS.*  trans-108.7127.5164.759.4-87.9000108.3K107 E113K107-F115 HydrophobicContact CB-CE1 4.15Å; K107-F115 HydrophobicContact CD-CE1 4.28Å; E113-F115 PolarHBondContact O-N 3.39Å
116E45.5Very low46.2Very low147 Ų147136.8 Ų136.869%0.68766%0.66SS**  trans-85.2117.2173.3-167.3167.9-165.500107.5T102T102-E116 HydrophobicContact CG2-CG 4.37Å
117E47.3Very low46.6Very low78 Ų78132.4 Ų132.436%0.36465%0.646SS.*EExtended strand (participates in β ladder)trans-103.5107.3176-174-178.8-153.100108.1K105 V119K105-E117 IonicContact NZ-OE2 3.67Å; K105-E117 PolarHBondContact NZ-OE2 2.83Å; E117-V119 HydrophobicContact CG-CG2 3.93Å; E117-V119 PolarHBondContact O-N 3.11Å
118T43.4Very low46.6Very low65 Ų65132.8 Ų132.840%0.39966%0.655SS.*EExtended strand (participates in β ladder)trans-76.2110170.8-50.30000108.4Y120T118-Y120 HydrophobicContact CG2-CE1 4.23Å; T118-Y120 HydrophobicContact CG2-CE2 4.08Å
119V44.6Very low46.7Very low53 Ų53127.3 Ų127.332%0.32164%0.644SS.*EExtended strand (participates in β ladder)trans-103.1117.9174.9-177.50000108.2I103 E117 Q121I103-V119 HydrophobicContact CD1-CB 4.38Å; E117-V119 HydrophobicContact CG-CG2 3.93Å; E117-V119 PolarHBondContact O-N 3.11Å; V119-Q121 PolarHBondContact O-N 3.09Å
120Y36.7Very low46.7Very low180 Ų180129.9 Ų129.971%0.70666%0.656SS**  trans-81.5113.4172.4-61.7-80.9000109.1T118T118-Y120 HydrophobicContact CG2-CE1 4.23Å; T118-Y120 HydrophobicContact CG2-CE2 4.08Å
121Q40.5Very low46.6Very low140 Ų140126.1 Ų126.165%0.65464%0.635SS**  trans-90.9107.9172-164.8148.250.300108.7V119 S123V119-Q121 PolarHBondContact O-N 3.09Å; Q121-S123 PolarHBondContact O-N 3.24Å
122I39.8Very low46.3Very low148 Ų148122.9 Ų122.976%0.75962%0.618SS**  trans-72.6110.7172.3-57.6169.8000106K124I122-K124 PolarHBondContact O-N 3.01Å
123S43.3Very low46.6Very low72 Ų72119.2 Ų119.250%0.50360%0.603SS.*  trans-55.7125.6165.344.30000106.8Q121 E125Q121-S123 PolarHBondContact O-N 3.24Å; S123-E125 PolarHBondContact O-N 2.76Å
124K42.3Very low47.1Very low198 Ų198115.7 Ų115.786%0.86159%0.589SS**  trans-67.571.4164-80.5-178.4177.7173.70107I122 T126I122-K124 PolarHBondContact O-N 3.01Å; K124-T126 PolarHBondContact O-N 2.83Å
125E43.7Very low47.8Very low123 Ų123110 Ų11058%0.57556%0.564SS**  trans-63.4101.2152.4-157-174.1147.600103.7S123 T127S123-E125 PolarHBondContact O-N 2.76Å; E125-T127 PolarHBondContact O-N 2.81Å; E125-T127 PolarHBondContact O-OG1 3.1Å
126T44.6Very low48.5Very low134 Ų134109 Ų10982%0.82256%0.561SS**  trans-64.461.715714.70000107K124 N128K124-T126 PolarHBondContact O-N 2.83Å; T126-N128 PolarHBondContact O-N 2.86Å
127T48.4Very low49.3Very low70 Ų70108.6 Ų108.643%0.42956%0.559SS.*  trans-49.3130.2149.7-35.80000103.1E125 N129E125-T127 PolarHBondContact O-N 2.81Å; E125-T127 PolarHBondContact O-OG1 3.1Å; T127-N129 PolarHBondContact O-N 3.35Å
128N48.4Very low50Low152 Ų152108.7 Ų108.781%0.81356%0.556SS**  trans-6078.7168.5-65-60.4000105.8T126 I130T126-N128 PolarHBondContact O-N 2.86Å; N128-I130 PolarHBondContact O-N 3.46Å
129N49.5Very low51Low125 Ų125109.1 Ų109.167%0.66856%0.555SS**  trans-64.195.9172.2-83.6-20.2000100.5T127 I131T127-N129 PolarHBondContact O-N 3.35Å; N129-I131 HydrophobicContact CB-CG1 4.41Å; N129-I131 PolarHBondContact O-N 3Å
130I50.7Low51.9Low153 Ų153112.4 Ų112.479%0.78557%0.565SS**  trans-60.881.4158.9-60.2166.4000101.8N128 N132N128-I130 PolarHBondContact O-N 3.46Å; I130-N132 PolarHBondContact O-N 2.92Å
131I52.5Low53.1Low86 Ų86108.1 Ų108.144%0.44156%0.561SS.*  trans-52.9116.8167.7-64.7169.2000101.5N129 P133 L135 E136N129-I131 HydrophobicContact CB-CG1 4.41Å; N129-I131 PolarHBondContact O-N 3Å; I131-P133 WeakPolarHBondContact O-CD 3.41Å; I131-L135 HydrophobicContact CG2-CB 4.28Å; I131-E136 HydrophobicContact CG2-CB 3.83Å
132N51.7Low54Low64 Ų64103.1 Ų103.134%0.34254%0.542SS..  trans-46.6120.5177.6176.50.3000106.2I130 D134 L135 E136I130-N132 PolarHBondContact O-N 2.92Å; N132-D134 PolarHBondContact O-N 2.84Å; N132-D134 PolarHBondContact OD1-N 2.73Å; N132-L135 HydrophobicContact CB-CB 4.22Å; N132-L135 WeakPolarHBondContact O-CA 3.24Å; N132-L135 VanDerWaalsContact O-CB 3.28Å; N132-L135 WeakPolarHBondContact O-CB 3.21Å; N132-L135 PolarHBondContact O-N 3.33Å; N132-E136 PolarHBondContact O-N 2.93Å; N132-E136 VanDerWaalsContact O-N 3.12Å
133P58Low54.6Low82 Ų82104.7 Ų104.753%0.53254%0.539SS..Hα-helixtrans-54.4-29.8-172.716.7-30.7000111.9I131 L135 E136 E137I131-P133 WeakPolarHBondContact O-CD 3.41Å; P133-L135 VanDerWaalsContact C-N 3.33Å; P133-L135 PolarHBondContact O-N 3.27Å; P133-E136 PolarHBondContact O-N 2.91Å; P133-E137 PolarHBondContact O-N 3.43Å
134D62.6Low55.2Low94 Ų94108.4 Ų108.450%0.50355%0.552SS.*Hα-helixtrans-63.5-36.6173.9-62.3-12.9000112.6N132 W138N132-D134 PolarHBondContact O-N 2.84Å; N132-D134 PolarHBondContact OD1-N 2.73Å; D134-W138 WeakPolarHBondContact O-CB 3.23Å; D134-W138 PolarHBondContact O-N 2.96Å
135L60.8Low55.4Low43 Ų43105.7 Ų105.723%0.22554%0.542CS..Hα-helixtrans-73.6-39.1177.2-147.589.8000111I131 N132 P133 W138 I139 F215I131-L135 HydrophobicContact CG2-CB 4.28Å; N132-L135 HydrophobicContact CB-CB 4.22Å; N132-L135 WeakPolarHBondContact O-CA 3.24Å; N132-L135 VanDerWaalsContact O-CB 3.28Å; N132-L135 WeakPolarHBondContact O-CB 3.21Å; N132-L135 PolarHBondContact O-N 3.33Å; P133-L135 VanDerWaalsContact C-N 3.33Å; P133-L135 PolarHBondContact O-N 3.27Å; L135-W138 PolarHBondContact O-N 2.73Å; L135-I139 HydrophobicContact CD2-CD1 4.36Å; L135-I139 VanDerWaalsContact O-CG1 3.23Å; L135-I139 WeakPolarHBondContact O-CG1 3.12Å; L135-I139 PolarHBondContact O-N 3.02Å; L135-F215 HydrophobicContact CD1-CE1 3.77Å; L135-F215 HydrophobicContact CD1-CZ 3.71Å
136E64.1Low55.5Low83 Ų83106.3 Ų106.339%0.38855%0.549SS..Hα-helixtrans-65.8-44176.4-165.2178.3167.300111.2I131 N132 P133 W138 I139 K140I131-E136 HydrophobicContact CG2-CB 3.83Å; N132-E136 PolarHBondContact O-N 2.93Å; N132-E136 VanDerWaalsContact O-N 3.12Å; P133-E136 PolarHBondContact O-N 2.91Å; E136-W138 VanDerWaalsContact C-N 3.33Å; E136-I139 PolarHBondContact O-N 3.49Å; E136-K140 HydrophobicContact CG-CD 4.3Å; E136-K140 WeakPolarHBondContact O-CB 3.28Å; E136-K140 VanDerWaalsContact O-CG 3.28Å; E136-K140 WeakPolarHBondContact O-CG 3.37Å; E136-K140 PolarHBondContact O-N 2.74Å; E136-K140 WeakPolarHBondContact OE1-CE 3.19Å; E136-K140 IonicContact OE1-NZ 2.65Å; E136-K140 PolarHBondContact OE1-NZ 3.27Å
137E62.2Low55.4Low138 Ų138104.6 Ų104.665%0.64554%0.543SS*.Hα-helixtrans-61-41.7170.8-88.3-158.4157.200111.9P133 K140 S141P133-E137 PolarHBondContact O-N 3.43Å; E137-K140 PolarHBondContact O-N 2.86Å; E137-S141 WeakPolarHBondContact O-CB 3.12Å; E137-S141 PolarHBondContact O-N 2.9Å; E137-S141 PolarHBondContact O-OG 2.67Å
138W63Low55.2Low79 Ų79104.2 Ų104.230%0.29954%0.543SS..Hα-helixtrans-64-42.4178.7-178.388.6000111.9D134 L135 E136 S141 S142 P209 A210D134-W138 WeakPolarHBondContact O-CB 3.23Å; D134-W138 PolarHBondContact O-N 2.96Å; L135-W138 PolarHBondContact O-N 2.73Å; E136-W138 VanDerWaalsContact C-N 3.33Å; W138-S141 PolarHBondContact O-N 2.94Å; W138-S142 VanDerWaalsContact CE2-OG 3.32Å; W138-S142 WeakPolarHBondContact O-CB 3.37Å; W138-S142 PolarHBondContact O-N 3.24Å; W138-S142 PolarHBondContact O-OG 2.57Å; W138-P209 HydrophobicContact CZ2-CB 4.35Å; W138-A210 VanDerWaalsContact CZ2-O 3.27Å; W138-A210 WeakPolarHBondContact CZ2-O 3.43Å; W138-A210 PolarHBondContact NE1-O 3.12Å
139I63Low54.8Low75 Ų75100.2 Ų100.239%0.38554%0.538SS..Hα-helixtrans-63.5-50.4175-67.4164.7000109.5L135 E136 S141 S142 W143L135-I139 HydrophobicContact CD2-CD1 4.36Å; L135-I139 VanDerWaalsContact O-CG1 3.23Å; L135-I139 WeakPolarHBondContact O-CG1 3.12Å; L135-I139 PolarHBondContact O-N 3.02Å; E136-I139 PolarHBondContact O-N 3.49Å; I139-S141 PolarHBondContact O-N 2.74Å; I139-S142 PolarHBondContact O-N 2.96Å; I139-W143 PolarHBondContact O-N 3.49Å; I139-W143 VanDerWaalsContact O-N 3.08Å
140K64.2Low54.6Low121 Ų12199.1 Ų99.153%0.52653%0.529SS..Hα-helixtrans-59.1-32.9178.3-74173.3-176.7167.10113E136 E137E136-K140 HydrophobicContact CG-CD 4.3Å; E136-K140 WeakPolarHBondContact O-CB 3.28Å; E136-K140 VanDerWaalsContact O-CG 3.28Å; E136-K140 WeakPolarHBondContact O-CG 3.37Å; E136-K140 PolarHBondContact O-N 2.74Å; E136-K140 WeakPolarHBondContact OE1-CE 3.19Å; E136-K140 IonicContact OE1-NZ 2.65Å; E136-K140 PolarHBondContact OE1-NZ 3.27Å; E137-K140 PolarHBondContact O-N 2.86Å
141S61.2Low54.5Low90 Ų9099.9 Ų99.963%0.62953%0.529SS*.Hα-helixtrans-86.2-32.8-179.2-57.60000113.2E137 W138 I139E137-S141 WeakPolarHBondContact O-CB 3.12Å; E137-S141 PolarHBondContact O-N 2.9Å; E137-S141 PolarHBondContact O-OG 2.67Å; W138-S141 PolarHBondContact O-N 2.94Å; I139-S141 PolarHBondContact O-N 2.74Å
142S59.5Low54Low36 Ų36103.5 Ų103.525%0.25255%0.549SS..Hα-helixtrans-76.7-31.5-178.3-63.80000111.7W138 I139 L144W138-S142 VanDerWaalsContact CE2-OG 3.32Å; W138-S142 WeakPolarHBondContact O-CB 3.37Å; W138-S142 PolarHBondContact O-N 3.24Å; W138-S142 PolarHBondContact O-OG 2.57Å; I139-S142 PolarHBondContact O-N 2.96Å; S142-L144 PolarHBondContact O-N 3.01Å; S142-L144 VanDerWaalsContact O-N 3.11Å
143W52.3Low53.7Low181 Ų181106.5 Ų106.569%0.68656%0.564SS**SBendtrans-81.792.5169.4-66.764.6000106.9I139 H145I139-W143 PolarHBondContact O-N 3.49Å; I139-W143 VanDerWaalsContact O-N 3.08Å; W143-H145 PolarHBondContact O-N 3.26Å
144L55.9Low52.8Low150 Ų150107.2 Ų107.279%0.78557%0.571SS**  trans-53.696.1156.9-75.3166.1000106.2S142 D146S142-L144 PolarHBondContact O-N 3.01Å; S142-L144 VanDerWaalsContact O-N 3.11Å; L144-D146 VanDerWaalsContact C-N 3.34Å; L144-D146 PolarHBondContact O-N 3.04Å
145H46.5Very low51.8Low140 Ų140107.9 Ų107.965%0.64858%0.581SS**  trans-57.2104.7170.6-81.4-83.2000106.1W143 S147W143-H145 PolarHBondContact O-N 3.26Å; H145-S147 PolarHBondContact O-N 2.97Å
146D45.8Very low50.7Low136 Ų136111.7 Ų111.773%0.72761%0.607SS**  trans-73.242.3175.7-149.45.3000109.8L144 S148L144-D146 VanDerWaalsContact C-N 3.34Å; L144-D146 PolarHBondContact O-N 3.04Å; D146-S148 PolarHBondContact O-N 2.88Å
147S43.9Very low49.7Very low99 Ų99113.9 Ų113.969%0.69262%0.62SS**  trans-89.415.3-176.2-53.90000112.1H145 G149H145-S147 PolarHBondContact O-N 2.97Å; S147-G149 PolarHBondContact O-N 2.79Å
148S44.7Very low48.5Very low61 Ų61112.2 Ų112.243%0.42762%0.621SS.*SBendtrans-72.7110.7153.961.40000106.2D146 Q150D146-S148 PolarHBondContact O-N 2.88Å; S148-Q150 PolarHBondContact O-N 2.97Å; S148-Q150 PolarHBondContact OG-NE2 3.12Å; S148-Q150 VanDerWaalsContact OG-NE2 3.08Å
149G39.7Very low47.5Very low69 Ų69117.6 Ų117.671%0.71165%0.65SS**  trans-57.473.8166.200000110.7S147 E151S147-G149 PolarHBondContact O-N 2.79Å; G149-E151 PolarHBondContact O-N 3.18Å
150Q44.2Very low46.2Very low102 Ų102118.2 Ų118.248%0.47766%0.661SS.*  trans-75.375173.5-83.5-176.942.700107.4S148 N152 I153S148-Q150 PolarHBondContact O-N 2.97Å; S148-Q150 PolarHBondContact OG-NE2 3.12Å; S148-Q150 VanDerWaalsContact OG-NE2 3.08Å; Q150-N152 PolarHBondContact O-N 3.03Å; Q150-N152 VanDerWaalsContact O-N 3.07Å; Q150-I153 HydrophobicContact CB-CG1 4.18Å
151E48.2Very low45.1Very low169 Ų169118.3 Ų118.379%0.7968%0.676SS**THydrogen-bonded Turntrans-9.2100.8131.158.5-154.5161.500112.1G149 I153G149-E151 PolarHBondContact O-N 3.18Å; E151-I153 VanDerWaalsContact C-N 3.33Å; E151-I153 PolarHBondContact O-N 3.35Å
152N43.1Very low44Very low162 Ų162123.2 Ų123.287%0.86668%0.682SS**THydrogen-bonded Turntrans24.763160.5-68.6-24000115.4Q150 S154Q150-N152 PolarHBondContact O-N 3.03Å; Q150-N152 VanDerWaalsContact O-N 3.07Å; N152-S154 PolarHBondContact O-N 2.92Å
153I44.1Very low42.9Very low127 Ų127128.9 Ų128.965%0.65171%0.71SS**  trans-69.390.9156.626.2154.8000105.9Q150 E151 C155Q150-I153 HydrophobicContact CB-CG1 4.18Å; E151-I153 VanDerWaalsContact C-N 3.33Å; E151-I153 PolarHBondContact O-N 3.35Å; I153-C155 PolarHBondContact O-N 3.35Å
154S40.9Very low42.2Very low96 Ų96127.8 Ų127.867%0.67171%0.714SS**  trans-49.5117.1160.660.90000106.4N152 T156N152-S154 PolarHBondContact O-N 2.92Å; S154-T156 VanDerWaalsContact C-N 3.3Å; S154-T156 PolarHBondContact O-N 2.76Å
155C41.5Very low41Very low108 Ų108124.1 Ų124.173%0.7371%0.712SS**  trans-60.9100.2170-177.10000106.5I153 I157I153-C155 PolarHBondContact O-N 3.35Å; C155-I157 PolarHBondContact O-N 3.41Å
156T38Very low40.5Very low124 Ų124123.2 Ų123.276%0.76171%0.712SS**  trans-69.388.9164.6-43.30000105S154 P158S154-T156 VanDerWaalsContact C-N 3.3Å; S154-T156 PolarHBondContact O-N 2.76Å; T156-P158 VanDerWaalsContact O-CD 3.22Å; T156-P158 WeakPolarHBondContact O-CD 3.39Å; T156-P158 VanDerWaalsContact O-N 3.1Å
157I41.1Very low39.9Very low128 Ų128124.5 Ų124.566%0.65672%0.719SS**  trans-59.9115.7170.6-60.7172.8000104.4C155 E159C155-I157 PolarHBondContact O-N 3.41Å; I157-E159 PolarHBondContact O-N 3.04Å; I157-E159 VanDerWaalsContact O-N 3.14Å
158P38.6Very low39.6Very low103 Ų103127.3 Ų127.367%0.66972%0.719SS**  trans-56.1126.9173.422.3-29.8000106.7T156 S160T156-P158 VanDerWaalsContact O-CD 3.22Å; T156-P158 WeakPolarHBondContact O-CD 3.39Å; T156-P158 VanDerWaalsContact O-N 3.1Å; P158-S160 PolarHBondContact O-N 3.08Å
159E41.2Very low38.9Very low193 Ų193133.2 Ų133.290%0.90274%0.74SS**  trans-56.687.3170.6-74-179163.400107.5I157 S161I157-E159 PolarHBondContact O-N 3.04Å; I157-E159 VanDerWaalsContact O-N 3.14Å; E159-S161 PolarHBondContact O-N 3.02Å
160S36.4Very low38.9Very low88 Ų88136.6 Ų136.662%0.61574%0.741SS**  trans-65.4125.1167.854.20000104.8P158 Y162P158-S160 PolarHBondContact O-N 3.08Å; S160-Y162 PolarHBondContact O-N 2.76Å
161S41Very low38.4Very low122 Ų122139.6 Ų139.685%0.85376%0.755SS**  trans-69.440.1179.3-46.70000112.2E159 N163E159-S161 PolarHBondContact O-N 3.02Å; S161-N163 PolarHBondContact O-N 3.02Å
162Y38Very low37.8Very low194 Ų194139.2 Ų139.276%0.76176%0.758SS**  trans-72.782.4168.9-107.9-94.3000108.1S160 M164S160-Y162 PolarHBondContact O-N 2.76Å; Y162-M164 HydrophobicContact CD1-SD 4.32Å; Y162-M164 PolarHBondContact O-N 2.91Å
163N35Very low37.1Very low155 Ų155138.1 Ų138.183%0.82975%0.752SS**  trans-63.473.4165.2-171.3-5.1000108.8S161S161-N163 PolarHBondContact O-N 3.02Å
164M39.7Very low36.8Very low158 Ų158137 Ų13778%0.77875%0.753SS**  trans-98.792.2163.1-104.5166151.600106.1Y162 N166Y162-M164 HydrophobicContact CD1-SD 4.32Å; Y162-M164 PolarHBondContact O-N 2.91Å; M164-N166 VanDerWaalsContact C-N 3.35Å; M164-N166 PolarHBondContact O-N 3.09Å
165G30.3Very low36.4Very low72 Ų72137.5 Ų137.574%0.74276%0.756SS**  trans-54.199.9168.900000109.8
166N35.8Very low36.1Very low122 Ų122137.7 Ų137.765%0.65276%0.755SS**  trans-146.9110.7158.6-157.78.6000108.5M164 F168M164-N166 VanDerWaalsContact C-N 3.35Å; M164-N166 PolarHBondContact O-N 3.09Å; N166-F168 PolarHBondContact O-N 3.49Å
167N33.5Very low35.8Very low162 Ų162141 Ų14187%0.86675%0.754SS**  trans-71.748.1-173.8-68.9-61.9000113.1Q169N167-Q169 VanDerWaalsContact C-N 3.3Å; N167-Q169 PolarHBondContact O-N 2.71Å; N167-Q169 VanDerWaalsContact O-N 3.1Å
168F37.1Very low35.3Very low158 Ų158140.2 Ų140.269%0.69376%0.756SS**  trans-8485.9166.1-80.7-85.2000108.3N166 I170N166-F168 PolarHBondContact O-N 3.49Å; F168-I170 HydrophobicContact CB-CG1 4.42Å; F168-I170 PolarHBondContact O-N 3.2Å
169Q30.4Very low35Very low185 Ų185143.6 Ų143.686%0.86476%0.76SS**  trans-57.276.5156.6-80177-8.800108.9N167 Q171N167-Q169 VanDerWaalsContact C-N 3.3Å; N167-Q169 PolarHBondContact O-N 2.71Å; N167-Q169 VanDerWaalsContact O-N 3.1Å; Q169-Q171 PolarHBondContact O-N 3.2Å; Q169-Q171 VanDerWaalsContact O-N 3.1Å
170I39.4Very low34.3Very low141 Ų141142.2 Ų142.272%0.72375%0.754SS**  trans-77.195.7157.2-54.8175000103.2F168 N172F168-I170 HydrophobicContact CB-CG1 4.42Å; F168-I170 PolarHBondContact O-N 3.2Å; I170-N172 PolarHBondContact O-N 2.83Å
171Q33.5Very low34Very low165 Ų165143 Ų14377%0.77176%0.759SS**  trans-45.8116.7170.9-76.7176.8-35.800107.9Q169 N173Q169-Q171 PolarHBondContact O-N 3.2Å; Q169-Q171 VanDerWaalsContact O-N 3.1Å; Q171-N173 PolarHBondContact O-N 3.2Å
172N35.1Very low33.5Very low161 Ų161144.8 Ų144.886%0.86175%0.752SS**  trans-57.882.9165.3-74.6-29.3000108I170 P174I170-N172 PolarHBondContact O-N 2.83Å; N172-P174 VanDerWaalsContact O-CD 3.28Å; N172-P174 WeakPolarHBondContact O-CD 3.27Å
173N28.9Very low33.5Very low138 Ų138142.1 Ų142.174%0.73875%0.751SS**  trans-92.6105.1154.6-122.3-29.6000104.7Q171 S175Q171-N173 PolarHBondContact O-N 3.2Å; N173-S175 PolarHBondContact O-N 3.23Å
174P37.7Very low33.4Very low103 Ų103142.3 Ų142.367%0.66975%0.751SS**  trans-64.187.6166.127.4-30.9000106.4N172 T176N172-P174 VanDerWaalsContact O-CD 3.28Å; N172-P174 WeakPolarHBondContact O-CD 3.27Å; P174-T176 PolarHBondContact O-N 2.84Å; P174-T176 PolarHBondContact O-OG1 2.76Å
175S32.5Very low33.1Very low107 Ų107142.2 Ų142.275%0.74875%0.753SS**  trans-62.194.4161.940.60000105.2N173 Y177N173-S175 PolarHBondContact O-N 3.23Å; S175-Y177 PolarHBondContact O-N 3.22Å
176T35.3Very low33.2Very low113 Ų113145 Ų14569%0.69376%0.756SS**  trans-6490.2171.2-48.10000104.7P174 T178P174-T176 PolarHBondContact O-N 2.84Å; P174-T176 PolarHBondContact O-OG1 2.76Å; T176-T178 PolarHBondContact O-N 2.81Å; T176-T178 PolarHBondContact O-OG1 2.81Å
177Y31.6Very low33.1Very low193 Ų193144.7 Ų144.776%0.75776%0.758SS**  trans-70.189.5177.2-163.7-97.3000106.1S175 F179S175-Y177 PolarHBondContact O-N 3.22Å; Y177-F179 HydrophobicContact CD1-CD2 4.13Å; Y177-F179 AromaticContact CD1-CE2 3.77Å; Y177-F179 HydrophobicContact CD1-CE2 3.77Å; Y177-F179 HydrophobicContact CD1-CZ 4.21Å; Y177-F179 HydrophobicContact CE1-CD2 4.44Å; Y177-F179 HydrophobicContact CE1-CE1 4.34Å; Y177-F179 AromaticContact CE1-CE2 3.93Å; Y177-F179 HydrophobicContact CE1-CE2 3.93Å; Y177-F179 AromaticContact CE1-CZ 3.88Å; Y177-F179 HydrophobicContact CE1-CZ 3.88Å; Y177-F179 PolarHBondContact O-N 3.34Å
178T31.5Very low33.1Very low112 Ų112143.2 Ų143.269%0.68776%0.755SS**  trans-82.6108.1-173.8-37.10000105.6T176 E180T176-T178 PolarHBondContact O-N 2.81Å; T176-T178 PolarHBondContact O-OG1 2.81Å; T178-E180 PolarHBondContact O-N 2.73Å
179F31.3Very low33.2Very low174 Ų174141.7 Ų141.776%0.76376%0.758SS**  trans-66.5103165-82-88.6000107.1Y177 S181Y177-F179 HydrophobicContact CD1-CD2 4.13Å; Y177-F179 AromaticContact CD1-CE2 3.77Å; Y177-F179 HydrophobicContact CD1-CE2 3.77Å; Y177-F179 HydrophobicContact CD1-CZ 4.21Å; Y177-F179 HydrophobicContact CE1-CD2 4.44Å; Y177-F179 HydrophobicContact CE1-CE1 4.34Å; Y177-F179 AromaticContact CE1-CE2 3.93Å; Y177-F179 HydrophobicContact CE1-CE2 3.93Å; Y177-F179 AromaticContact CE1-CZ 3.88Å; Y177-F179 HydrophobicContact CE1-CZ 3.88Å; Y177-F179 PolarHBondContact O-N 3.34Å; F179-S181 PolarHBondContact O-N 2.93Å
180E26.5Very low33.2Very low164 Ų164135.4 Ų135.477%0.76674%0.743SS**  trans-72.471.8168.9-157.3179.8-152.700107.7T178 K182T178-E180 PolarHBondContact O-N 2.73Å; E180-K182 VanDerWaalsContact C-N 3.28Å; E180-K182 PolarHBondContact O-N 2.95Å
181S29.5Very low32.8Very low103 Ų103140.2 Ų140.272%0.7275%0.752SS**  trans-73.191.1167.7177.40000107.5F179 D183F179-S181 PolarHBondContact O-N 2.93Å; S181-D183 VanDerWaalsContact C-N 3.26Å; S181-D183 PolarHBondContact O-N 2.81Å
182K32Very low32.9Very low161 Ų161139.2 Ų139.270%0.775%0.752SS**  trans-65.994.9156.9-68.5-179.2-179175.60105.7E180E180-K182 VanDerWaalsContact C-N 3.28Å; E180-K182 PolarHBondContact O-N 2.95Å
183D36.1Very low32.9Very low138 Ų138140.6 Ų140.674%0.73875%0.753SS**SBendtrans175.3102.2140.6-80.2-25.6000111.1S181 N185S181-D183 VanDerWaalsContact C-N 3.26Å; S181-D183 PolarHBondContact O-N 2.81Å; D183-N185 PolarHBondContact O-N 3Å; D183-N185 VanDerWaalsContact O-N 3.16Å
184L34.5Very low33.5Very low159 Ų159141.9 Ų141.983%0.83275%0.754SS**  trans4.690148.4-71.4139.4000117
185N31.8Very low33.6Very low155 Ų155141.8 Ų141.883%0.82976%0.756SS**  trans-156.679.7140.7-92-44.1000108.5D183 V187D183-N185 PolarHBondContact O-N 3Å; D183-N185 VanDerWaalsContact O-N 3.16Å; N185-V187 VanDerWaalsContact C-N 3.28Å; N185-V187 PolarHBondContact O-N 3.42Å
186T33.4Very low34Very low132 Ų132144.4 Ų144.481%0.8176%0.762SS**  trans-68.689.8171.7-43.20000108.1V188T186-V188 PolarHBondContact O-N 3.2Å
187V32.8Very low34Very low115 Ų115149.3 Ų149.370%0.69777%0.768SS**  trans-65.9103.8171.9-179.80000107.3N185 V189N185-V187 VanDerWaalsContact C-N 3.28Å; N185-V187 PolarHBondContact O-N 3.42Å; V187-V189 VanDerWaalsContact C-N 3.29Å; V187-V189 HydrophobicContact CG1-CG2 3.96Å; V187-V189 PolarHBondContact O-N 3.05Å
188V34.7Very low34.6Very low130 Ų130145.1 Ų145.179%0.78876%0.764SS**  trans-70.890.7170.1-179.30000106.9T186 G190T186-V188 PolarHBondContact O-N 3.2Å; V188-G190 PolarHBondContact O-N 2.73Å
189V39.3Very low35.2Very low126 Ų126146.8 Ų146.876%0.76477%0.769SS**  trans-69.1104.2175-176.80000107.8V187 R191V187-V189 VanDerWaalsContact C-N 3.29Å; V187-V189 HydrophobicContact CG1-CG2 3.96Å; V187-V189 PolarHBondContact O-N 3.05Å; V189-R191 PolarHBondContact O-N 2.83Å
190G29.8Very low35.8Very low53 Ų53147.5 Ų147.555%0.54677%0.772SS.*  trans-57.7126.8175.300000110.8V188 N192V188-G190 PolarHBondContact O-N 2.73Å; G190-N192 VanDerWaalsContact C-N 3.34Å; G190-N192 PolarHBondContact O-N 2.78Å
191R31.3Very low36.9Very low242 Ų242146.5 Ų146.591%0.91377%0.767SS**  trans-5791.6171.3-95174.6148.7161.3-5.6109.9V189 Q193V189-R191 PolarHBondContact O-N 2.83Å; R191-Q193 PolarHBondContact O-N 3.12Å
192N34.7Very low37.6Very low145 Ų145147.4 Ų147.478%0.77577%0.772SS**  trans-73.3118.4165.6-83.2-30.4000108.2G190 H194G190-N192 VanDerWaalsContact C-N 3.34Å; G190-N192 PolarHBondContact O-N 2.78Å; N192-H194 PolarHBondContact O-N 2.75Å
193Q36Very low38.3Very low189 Ų189149.8 Ų149.888%0.88378%0.777SS**  trans-54.3121.4-179.1-63.8-172.4-2.900109.7R191 S195R191-Q193 PolarHBondContact O-N 3.12Å; Q193-S195 PolarHBondContact O-N 2.98Å
194H41.1Very low39Very low165 Ų165154 Ų15476%0.76478%0.782SS**  trans-58.2103-176.5-54.2-75.5000109.9N192 N196N192-H194 PolarHBondContact O-N 2.75Å; H194-N196 PolarHBondContact O-N 2.8Å; H194-N196 VanDerWaalsContact O-N 3.17Å
195S40.4Very low39.7Very low101 Ų101150.5 Ų150.571%0.70677%0.771SS**  trans-62.6117.1164113.20000106Q193 R197Q193-S195 PolarHBondContact O-N 2.98Å; S195-R197 PolarHBondContact O-N 2.76Å
196N41.4Very low41.2Very low163 Ų163149.1 Ų149.187%0.87277%0.773SS**  trans-66.852.3176.2-77.8-47.5000112H194 P198H194-N196 PolarHBondContact O-N 2.8Å; H194-N196 VanDerWaalsContact O-N 3.17Å; N196-P198 WeakPolarHBondContact O-CD 3.21Å
197R34.9Very low42.9Very low216 Ų216150.9 Ų150.982%0.81577%0.77SS**  trans-75.4123.3171.5-162171.7-169.1169.62.3106.9S195 N199S195-R197 PolarHBondContact O-N 2.76Å; R197-N199 PolarHBondContact O-N 2.83Å; R197-N199 VanDerWaalsContact O-N 3.13Å
198P43Very low44.5Very low104 Ų104150.4 Ų150.468%0.67577%0.769SS**  trans-55.2125.8179.119.7-30.3000108.6N196 K200N196-P198 WeakPolarHBondContact O-CD 3.21Å; P198-K200 PolarHBondContact O-N 2.97Å
199N45.4Very low46Very low148 Ų148148.1 Ų148.179%0.79176%0.757SS**  trans-59.582.3177.1-162.9-14.4000107.6R197 Q201R197-N199 PolarHBondContact O-N 2.83Å; R197-N199 VanDerWaalsContact O-N 3.13Å; N199-Q201 PolarHBondContact O-N 3.47Å
200K43.7Very low47.7Very low188 Ų188145.2 Ų145.282%0.81775%0.746SS**  trans-65.592.9161.8-77.3-167.7178.2-173.20103.2P198 C202P198-K200 PolarHBondContact O-N 2.97Å; K200-C202 PolarHBondContact O-N 2.96Å
201Q49.4Very low49.9Very low144 Ų144148 Ų14867%0.67376%0.755SS**  trans-36.3107.9165.6-69.9176.4-41.600106N199 R203N199-Q201 PolarHBondContact O-N 3.47Å; Q201-R203 PolarHBondContact O-N 2.9Å
202C43.4Very low52Low122 Ų122139.6 Ų139.682%0.82473%0.731SS**  trans-6384.4167.2-82.60000104.4K200 R204K200-C202 PolarHBondContact O-N 2.96Å; C202-R204 VanDerWaalsContact C-N 3.3Å; C202-R204 PolarHBondContact O-N 2.9Å
203R46.8Very low54.1Low211 Ų211135.2 Ų135.280%0.79671%0.711SS**  trans-58.7109.2165.6-70.5-141.9-179.3-143.92.6103.3Q201 S205Q201-R203 PolarHBondContact O-N 2.9Å; R203-S205 PolarHBondContact O-N 3.37Å
204R50.1Low56.1Low227 Ų227132.2 Ų132.286%0.85771%0.708SS**  trans-51.8100.3161-64.8175.369172.53.2103.6C202 S206C202-R204 VanDerWaalsContact C-N 3.3Å; C202-R204 PolarHBondContact O-N 2.9Å; R204-S206 PolarHBondContact O-N 3.24Å
205S50.7Low57.7Low85 Ų85130.9 Ų130.959%0.59470%0.7SS**  trans-52.6119172.8159.60000104.8R203 K207R203-S205 PolarHBondContact O-N 3.37Å; S205-K207 PolarHBondContact O-N 3.3Å; S205-K207 VanDerWaalsContact O-N 3.09Å; S205-K207 VanDerWaalsContact OG-CB 3.24Å; S205-K207 WeakPolarHBondContact OG-CB 3.39Å; S205-K207 PolarHBondContact OG-N 3.05Å
206S63.9Low59.3Low125 Ų125135.9 Ų135.987%0.87471%0.709SS**SBendtrans-68.3-1.5175.559.10000111.8R204 P208R204-S206 PolarHBondContact O-N 3.24Å; S206-P208 WeakPolarHBondContact O-CD 3.31Å
207K67.5Low60.7Low169 Ų169135.5 Ų135.574%0.73570%0.702SS**SBendtrans-74.8118.4175.7-131.4165.9-173.4174.80107.7S205S205-K207 PolarHBondContact O-N 3.3Å; S205-K207 VanDerWaalsContact O-N 3.09Å; S205-K207 VanDerWaalsContact OG-CB 3.24Å; S205-K207 WeakPolarHBondContact OG-CB 3.39Å; S205-K207 PolarHBondContact OG-N 3.05Å
208P67.7Low62.4Low105 Ų105131 Ų13168%0.68270%0.7SS**PPolyproline II helixtrans-56.7154.5171.626.1-33.4000109.3S206 A210S206-P208 WeakPolarHBondContact O-CD 3.31Å; P208-A210 PolarHBondContact O-N 3Å
209P66.2Low63.3Low82 Ų82134.9 Ų134.953%0.53271%0.707SS.*PPolyproline II helixtrans-51.7144.1173.920.7-30.4000110.2W138W138-P209 HydrophobicContact CZ2-CB 4.35Å
210A74.1Confident64Low66 Ų66133.4 Ų133.455%0.54571%0.709SS.*PPolyproline II helixtrans-60.7144.7178.300000109.7W138 P208W138-A210 VanDerWaalsContact CZ2-O 3.27Å; W138-A210 WeakPolarHBondContact CZ2-O 3.43Å; W138-A210 PolarHBondContact NE1-O 3.12Å; P208-A210 PolarHBondContact O-N 3Å
211P76.5Confident64.2Low111 Ų111130 Ų13072%0.72170%0.704SS**PPolyproline II helixtrans-56.4150.3174.925-33.6000110.6
212P76.1Confident64.5Low65 Ų65127.9 Ų127.942%0.42271%0.71SS.*PPolyproline II helixtrans-60.214917825.5-33.5000110.6
213P77.7Confident64.8Low54 Ų54127.6 Ų127.635%0.35171%0.705SS.*PPolyproline II helixtrans-62.3151.7175.625.8-32.4000111F215P213-F215 PolarHBondContact O-N 3.15Å
214P78.3Confident64.8Low126 Ų126122.9 Ų122.982%0.81871%0.705SS**PPolyproline II helixtrans-60126.417622.2-30.5000110.7K216P214-K216 PolarHBondContact O-N 3.22Å
215F73.8Confident64.7Low136 Ų136118.2 Ų118.260%0.59670%0.697SS**PPolyproline II helixtrans-68.4129.1175.8-63.3-87.4000110L135 P213 Q217L135-F215 HydrophobicContact CD1-CE1 3.77Å; L135-F215 HydrophobicContact CD1-CZ 3.71Å; P213-F215 PolarHBondContact O-N 3.15Å; F215-Q217 PolarHBondContact O-N 2.71Å
216K75.1Confident64.5Low206 Ų206119.1 Ų119.190%0.89670%0.703SS**  trans-80.498.3170.1-67.1-178.2-177.3175.20108P214P214-K216 PolarHBondContact O-N 3.22Å
217Q70.7Confident63.9Low156 Ų156117 Ų11773%0.72969%0.688SS**  trans-67.9130.3166.3-72.5-172.7-54.800108.8F215 F219F215-Q217 PolarHBondContact O-N 2.71Å; Q217-F219 PolarHBondContact O-N 3.34Å
218P70.7Confident62.9Low120 Ų120116.9 Ų116.978%0.77970%0.695SS**  trans-65.3117.1168.726.4-30.5000107.9S220P218-S220 PolarHBondContact O-N 2.91Å
219F62.4Low61.8Low187 Ų187119.7 Ų119.782%0.8270%0.703SS**  trans-73.9106.7165.6-69.7-81.7000107.5Q217 T221Q217-F219 PolarHBondContact O-N 3.34Å; F219-T221 VanDerWaalsContact C-N 3.33Å; F219-T221 PolarHBondContact O-N 3.26Å
220S58.8Low60.6Low117 Ų117127.2 Ų127.282%0.81874%0.738SS**  trans-66.497.4161.6-67.60000107.5P218 A222P218-S220 PolarHBondContact O-N 2.91Å; S220-A222 VanDerWaalsContact C-N 3.33Å; S220-A222 PolarHBondContact O-N 3.42Å
221T48.9Very low59.9Low116 Ų116130.3 Ų130.371%0.71275%0.747SS**  trans-63.6101.2162.935.90000107.1F219 T223F219-T221 VanDerWaalsContact C-N 3.33Å; F219-T221 PolarHBondContact O-N 3.26Å; T221-T223 PolarHBondContact O-N 2.98Å
222A55.7Low59Low99 Ų99131.3 Ų131.382%0.81875%0.749SS**  trans-63.186.5160.700000106.9S220 S224S220-A222 VanDerWaalsContact C-N 3.33Å; S220-A222 PolarHBondContact O-N 3.42Å; A222-S224 VanDerWaalsContact C-N 3.3Å; A222-S224 PolarHBondContact O-N 2.85Å
223T48.5Very low58.1Low117 Ų117135 Ų13572%0.71877%0.767SS**  trans-65.599.8163.6440000105.6T221 D225T221-T223 PolarHBondContact O-N 2.98Å; T223-D225 PolarHBondContact O-N 3.32Å
224S48Very low56.9Low112 Ų112139.8 Ų139.878%0.78379%0.791SS**  trans-66.282.8168.6-171.60000107.3A222 S226A222-S224 VanDerWaalsContact C-N 3.3Å; A222-S224 PolarHBondContact O-N 2.85Å; S224-S226 PolarHBondContact O-N 2.82Å
225D48.3Very low55.6Low129 Ų129140.6 Ų140.669%0.6979%0.79SS**  trans-7968172.9-155.6-13.2000107.6T223 S227T223-D225 PolarHBondContact O-N 3.32Å; D225-S227 PolarHBondContact O-N 3.34Å; D225-S227 PolarHBondContact OD1-OG 2.98Å
226S46.6Very low54.4Low103 Ų103140.9 Ų140.972%0.7280%0.803SS**  trans-78.972.7163.366.20000107.1S224S224-S226 PolarHBondContact O-N 2.82Å
227S49.8Very low52.9Low80 Ų80136.3 Ų136.356%0.55980%0.796SS**  trans-61.9137.9163.5-78.10000109.2D225 I229D225-S227 PolarHBondContact O-N 3.34Å; D225-S227 PolarHBondContact OD1-OG 2.98Å; S227-I229 PolarHBondContact O-N 2.72Å
228D46.2Very low51.5Low167 Ų167134.8 Ų134.889%0.89380%0.801SS**  trans-45.1120.3-177.7-59.8-63.9000113.6
229I45.4Very low49.9Very low164 Ų164136 Ų13684%0.84180%0.803SS**  trans-113.2100.4161.8-59170000107S227S227-I229 PolarHBondContact O-N 2.72Å
230L40.7Very low48.8Very low241 Ų241131.4 Ų131.4100%1.26280%0.801SS**  trans310151.7-74.4159.8000119.5

Retrieved 230 of 230 residues in 258.5 ms (Link to these results)