A0A087XNF4_POEFO Loading...

R3H domain and coiled-coil containing 1-like

AlphaFold DB , UniProt , Accession A0A087XNF4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 325 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
1E36Very low37.1Very low225 Ų225155 Ų155100%1.05185%0.845SS**  0124.40-166.3159.490.600107.6
2Q39.3Very low36.8Very low173 Ų173153.9 Ų153.981%0.80885%0.847SS**  trans57.4109.6162.2-58.1172.613.100118.7
3K36.3Very low36.8Very low203 Ų203149.7 Ų149.788%0.88384%0.835SS**  79144.165.2-92.2-165.7174.1-175.30115.4
4E39.5Very low36.5Very low189 Ų189147.1 Ų147.188%0.88383%0.825SS**  trans88.7136175.2-68.7-171.2100.700116.9
5A36.2Very low36.4Very low88 Ų88147.6 Ų147.673%0.72783%0.826SS**  cis-169.8147.7-7.600000107.6
6C31Very low36.8Very low135 Ų135144.1 Ų144.191%0.91282%0.821SS**  -178.1136.7126.7-157.70000110.3
7A42Very low36.5Very low90 Ų90143.2 Ų143.274%0.74482%0.824SS**  trans-79.6164.6-163.900000115.5
8P43.9Very low36.8Very low126 Ų126145 Ų14582%0.81882%0.824SS**  trans-115.7157.4153.636.2-25000112.9
9S33.4Very low37.3Very low106 Ų106142.9 Ų142.974%0.74182%0.819SS**  trans100.1116.1162.3-150.20000116.7
10Q34Very low37.7Very low189 Ų189146 Ų14688%0.88382%0.823SS**  -158.7133.7119.9-103.7172.159.400111.4
11Q37.1Very low38.2Very low181 Ų181148.9 Ų148.985%0.84682%0.821SS**  trans-72.7143.5167.1-66.6166.1-41.900109.6
12T32.9Very low38.9Very low142 Ų142144.3 Ų144.387%0.87181%0.81SS**  trans-134.5143.6154.254.10000110.4
13S37.1Very low39.6Very low99 Ų99143.6 Ų143.669%0.69281%0.812SS**  trans-86.3169.8-165.450.20000114.7
14T32.5Very low40.5Very low113 Ų113141.9 Ų141.969%0.69381%0.807SS**  trans64.5113.8150.1540000118.2
15D34.3Very low41Very low155 Ų155136.7 Ų136.783%0.82980%0.797SS**  -175.3142.885.3-101.1-39.7000113.7
16A42.6Very low42Very low92 Ų92140.2 Ų140.276%0.7680%0.802SS**  trans-77.1118.7177.500000110.8
17C32.6Very low42.9Very low129 Ų129143.1 Ų143.187%0.87280%0.796SS**  trans-104.795.9168.4-159.20000110.1S19C17-S19 PolarHBondContact O-N 3.38Å
18Q42.2Very low43.5Very low175 Ų175144.6 Ų144.682%0.81880%0.795SS**  trans-71.2108.6171.9-64.4-179.1-1.400109.7K20Q18-K20 PolarHBondContact O-N 3.07Å; Q18-K20 VanDerWaalsContact O-N 3.13Å
19S45.6Very low43.7Very low105 Ų105142.9 Ų142.973%0.73478%0.784SS**  trans-70.3105.9168.858.90000109.8C17 R21C17-S19 PolarHBondContact O-N 3.38Å; S19-R21 PolarHBondContact O-N 3.22Å; S19-R21 VanDerWaalsContact O-N 3.1Å
20K44.8Very low44.5Very low204 Ų204147.8 Ų147.889%0.88779%0.792SS**  trans-62.1103.9172.8-70.6171.7179.6172.20109.9Q18Q18-K20 PolarHBondContact O-N 3.07Å; Q18-K20 VanDerWaalsContact O-N 3.13Å
21R48.8Very low45Very low208 Ų208147.9 Ų147.979%0.78579%0.792SS**  trans-78.7131.7161.7-68.3-176.8173.7-176.3-2.1109S19 N23S19-R21 PolarHBondContact O-N 3.22Å; S19-R21 VanDerWaalsContact O-N 3.1Å; R21-N23 PolarHBondContact O-N 3.34Å
22P50.1Low45.1Very low128 Ų128150.5 Ų150.583%0.83179%0.794SS**  trans-72.595.7166.128.4-30.1000109.1Q24P22-Q24 PolarHBondContact O-N 3.37Å; P22-Q24 VanDerWaalsContact O-N 3.11Å
23N54Low45.4Very low158 Ų158155.3 Ų155.385%0.84580%0.797SS**  trans-72.991.6165.3-80.8-51000108.7R21R21-N23 PolarHBondContact O-N 3.34Å
24Q55Low45.2Very low168 Ų168159.8 Ų159.879%0.78581%0.807SS**  trans-107.599.7167.2-157.3175.476.200109.1P22 L26P22-Q24 PolarHBondContact O-N 3.37Å; P22-Q24 VanDerWaalsContact O-N 3.11Å; Q24-L26 PolarHBondContact O-N 3.14Å; Q24-L26 VanDerWaalsContact O-N 3.15Å
25A50.8Low45.3Very low80 Ų80159 Ų15966%0.66181%0.811SS**  trans-70104.4167.800000108.5Y27A25-Y27 PolarHBondContact O-N 2.81Å; A25-Y27 VanDerWaalsContact O-N 3.1Å
26L56.8Low45.6Very low161 Ų161156.3 Ų156.384%0.84381%0.811SS**SBendtrans-65.6106.4162.4-79.8158.6000107.2Q24Q24-L26 PolarHBondContact O-N 3.14Å; Q24-L26 VanDerWaalsContact O-N 3.15Å
27Y50.3Low45.3Very low197 Ų197161.8 Ų161.877%0.77382%0.817SS**  trans90.2105.2171.1-161-102.1000117.2A25 P29A25-Y27 PolarHBondContact O-N 2.81Å; A25-Y27 VanDerWaalsContact O-N 3.1Å; Y27-P29 HydrophobicContact CD1-CG 4.19Å; Y27-P29 HydrophobicContact CE1-CB 4.34Å; Y27-P29 HydrophobicContact CE1-CG 3.98Å
28V54Low45.5Very low120 Ų120163 Ų16373%0.72782%0.815SS**  trans-100.2117.2164.3179.60000108.5K30V28-K30 PolarHBondContact O-N 3.36Å
29P47.9Very low45.3Very low90 Ų90164.2 Ų164.258%0.58482%0.818SS**  trans-65126174.4-18.930.9000110.8Y27 Q31Y27-P29 HydrophobicContact CD1-CG 4.19Å; Y27-P29 HydrophobicContact CE1-CB 4.34Å; Y27-P29 HydrophobicContact CE1-CG 3.98Å; P29-Q31 PolarHBondContact O-N 2.91Å; P29-Q31 VanDerWaalsContact O-N 3.1Å
30K51.2Low44.5Very low209 Ų209165.7 Ų165.791%0.90982%0.823SS**  trans-59.8113.8172.8-80.2179.2174.5176.30110V28 R32V28-K30 PolarHBondContact O-N 3.36Å; K30-R32 PolarHBondContact O-N 3.06Å
31Q44.6Very low44.3Very low191 Ų191161.4 Ų161.489%0.89382%0.816SS**  trans-62.1116.8166.4-86.5175.8-21.600109.5P29 R33P29-Q31 PolarHBondContact O-N 2.91Å; P29-Q31 VanDerWaalsContact O-N 3.1Å; Q31-R33 PolarHBondContact O-N 3.1Å
32R38.7Very low43.4Very low236 Ų236158 Ų15889%0.89182%0.818SS**  trans-69.5114.4168.7-173176-172.7172.21.4107.8K30 Q34K30-R32 PolarHBondContact O-N 3.06Å; R32-Q34 PolarHBondContact O-N 3.24Å
33R39.4Very low42.6Very low244 Ų244161 Ų16192%0.92182%0.821SS**  trans-54.3120.8169.8-72.3-173.5167.7-170.2-4.1108.9Q31 A35Q31-R33 PolarHBondContact O-N 3.1Å; R33-A35 PolarHBondContact O-N 3.46Å
34Q33.2Very low41.5Very low193 Ų193157 Ų15790%0.90282%0.817SS**  trans-75.3109.3167.4-65.2-169.93.500107.2R32R32-Q34 PolarHBondContact O-N 3.24Å
35A34.6Very low40.9Very low95 Ų95158.2 Ų158.279%0.78582%0.823SS**  trans-79.1116.7165.300000107.4R33R33-A35 PolarHBondContact O-N 3.46Å
36A40.7Very low40.3Very low100 Ų100162.3 Ų162.383%0.82683%0.834SS**  trans-59.5132.7168.400000109.9
37K36.6Very low39.8Very low206 Ų206163.8 Ų163.890%0.89683%0.833SS**  trans-143.197.9161.6-89.9-172.2175.3-178.40109.1
38D36.4Very low39.5Very low154 Ų154160.6 Ų160.682%0.82484%0.836SS**  trans-70.2154.2148.2-100.1-45.2000109.9
39K37Very low39.2Very low202 Ų202166.1 Ų166.188%0.87884%0.844SS**  trans93.4109.1164.9-48.7-174.1-175.9-177.80118.2
40T30.3Very low39Very low135 Ų135167.9 Ų167.983%0.82886%0.856SS**  trans-86173.2141.946.30000109.9
41P41.1Very low38.8Very low114 Ų114167.3 Ų167.374%0.7485%0.853SS**  cis-127.1173.9-16.832.5-13.4000112.4
42T28.8Very low38.8Very low137 Ų137164.5 Ų164.584%0.8485%0.852SS**  trans176.9144.3137.6-700000110.7
43Q32.5Very low39.2Very low192 Ų192164.5 Ų164.590%0.89785%0.851SS**  trans-42.2147.8176.3-76.9179.9-27.700116.4
44G32.1Very low39.2Very low73 Ų73162.7 Ų162.775%0.75385%0.846SS**  trans174.1117.2161.300000110.6
45E41.6Very low40.2Very low194 Ų194159.1 Ų159.191%0.90784%0.838SS**  trans-57.7136.3176.4-60-173.7112.100111.7
46D38.1Very low40.5Very low166 Ų166160.9 Ų160.989%0.88883%0.834SS**  trans-155.1129.6162-104.8-35.2000112.8
47K47Very low41Very low191 Ų191165.4 Ų165.483%0.8384%0.835SS**PPolyproline II helixtrans-62.5147.7-173.5-61.4168.2-179.9175.20112.2R49K47-R49 PolarHBondContact O-N 3.04Å
48P43.8Very low41.7Very low130 Ų130159.7 Ų159.784%0.84483%0.826SS**PPolyproline II helixtrans-73.9130.8177.128.9-32.3000112.1
49R48.3Very low42.5Very low236 Ų236163.9 Ų163.989%0.89183%0.83SS**PPolyproline II helixtrans-66.7146.9172.7-66.5-179178.8-154-1.4111.5K47K47-R49 PolarHBondContact O-N 3.04Å
50P42.9Very low43Very low127 Ų127163.5 Ų163.583%0.82583%0.828SS**PPolyproline II helixtrans-77143.4-176.631.5-32.4000112
51K46.2Very low43.8Very low198 Ų198165 Ų16586%0.86183%0.831SS**PPolyproline II helixtrans-67.8146.9173.5-67175.5179.6173.80110.6R53K51-R53 PolarHBondContact O-N 3.13Å
52P44.8Very low44.1Very low132 Ų132164.3 Ų164.386%0.85784%0.836SS**PPolyproline II helixtrans-67.5124.5176.527.7-31.9000110.1
53R48.1Very low45.2Very low235 Ų235167.3 Ų167.389%0.88784%0.837SS**PPolyproline II helixtrans-78.5119.7176-139.4173.6178.1166-1.7108.1K51 T55K51-R53 PolarHBondContact O-N 3.13Å; R53-T55 PolarHBondContact O-N 3.24Å; R53-T55 VanDerWaalsContact O-N 3.15Å
54Y38Very low46Very low207 Ų207166.3 Ų166.381%0.81284%0.837SS**  trans-62.3112.2171.8-175-96.8000108.1
55T54.6Low46.8Very low118 Ų118174.9 Ų174.972%0.72485%0.847SS**  trans-92.9123.5172.745.20000108.8R53R53-T55 PolarHBondContact O-N 3.24Å; R53-T55 VanDerWaalsContact O-N 3.15Å
56D42.5Very low46.9Very low131 Ų131174.6 Ų174.670%0.70184%0.843SS**  trans-54.2125.9-179.5-160.6-31.9000111.5A58D56-A58 PolarHBondContact O-N 3.02Å; D56-A58 WeakPolarHBondContact OD1-CB 3.2Å; D56-A58 PolarHBondContact OD1-N 2.86Å
57K50.2Low47.2Very low196 Ų196174.3 Ų174.385%0.85284%0.842SS**SBendtrans-81.58.3178.9-71.2-136.2177.8176.50113.4R59K57-R59 VanDerWaalsContact C-N 3.29Å; K57-R59 PolarHBondContact O-N 3.15Å; K57-R59 VanDerWaalsContact O-N 3.14Å
58A51.2Low46.8Very low85 Ų85175.6 Ų175.670%0.70285%0.847SS**  trans-82.830-176.600000116.1D56D56-A58 PolarHBondContact O-N 3.02Å; D56-A58 WeakPolarHBondContact OD1-CB 3.2Å; D56-A58 PolarHBondContact OD1-N 2.86Å
59R52.6Low46.3Very low243 Ų243174.3 Ų174.392%0.91785%0.847SS**  trans-136.661.9175.8-137.5179.9-168.6-160.94.1113.8K57K57-R59 VanDerWaalsContact C-N 3.29Å; K57-R59 PolarHBondContact O-N 3.15Å; K57-R59 VanDerWaalsContact O-N 3.14Å
60K47.2Very low45.4Very low193 Ų193170.7 Ų170.784%0.83985%0.846SS**SBendtrans-145.112.2165.6-141.3179.6177.3178.80117.6
61N47.8Very low44.8Very low167 Ų167176.3 Ų176.389%0.89385%0.85SS**  trans-118.434.9-176.7-64.8-4000114.2
62A48.5Very low43.8Very low100 Ų100170.4 Ų170.483%0.82685%0.846SS**SBendtrans-113.713.4179.100000114.5
63K51.2Low43.2Very low200 Ų200169 Ų16987%0.8785%0.846SS**SBendtrans-118.96.9-176.3-89.9-169.2175.8-175.70117.4
64N49.1Very low42.2Very low170 Ų170164.7 Ų164.791%0.90984%0.84SS**SBendtrans-120.636.4178.6-94.329.8000114.4
65R48.3Very low41.9Very low253 Ų253159.8 Ų159.896%0.95584%0.843SS**SBendtrans-123.843.1174.9-157-174.9174.1173.9-1.4112.8
66K44Very low40.8Very low188 Ų188162 Ų16282%0.81785%0.845SS**SBendtrans-155.579.8168.5-161.7158.5-173171.30108.3
67D44.7Very low40Very low161 Ų161161 Ų16186%0.86185%0.848SS**SBendtrans173.479155.7-83.1-32.1000108.8
68K38.2Very low38.8Very low218 Ų218156.5 Ų156.595%0.94884%0.84SS**  trans17674.2150.4-104.3-176.6176.8178.90109.7
69A33.2Very low37.6Very low103 Ų103158.7 Ų158.785%0.85184%0.84SS**  trans-128.8104.1152.300000104.8
70N29.7Very low36.4Very low160 Ų160152.9 Ų152.986%0.85683%0.831SS**  trans153143.9148.6-159.610.4000110.9
71R29.9Very low35.5Very low244 Ų244151.2 Ų151.292%0.92183%0.827SS**  trans86.2116.2-167.4-55.6-174.9-168.3-151.32.2112.8
72G27Very low34.5Very low74 Ų74151.4 Ų151.476%0.76382%0.822SS**  cis146.5133.915.300000106.4
73A31Very low33.6Very low104 Ų104153.5 Ų153.586%0.8681%0.814SS**  trans-54148.5-17800000113.7
74D27.3Very low32.7Very low143 Ų143150.9 Ų150.977%0.76581%0.805SS**  -170.8115.9127.6-154.5-118000109.2
75A31Very low31.6Very low105 Ų105150.5 Ų150.587%0.86879%0.791SS**  trans-137.7112.216700000106.1
76Q32.2Very low30.6Very low165 Ų165144.3 Ų144.377%0.77178%0.776SS**  trans-136.5132.2-178.3-143.4179.34.200110.3
77S26.2Very low29.8Very low108 Ų108142.6 Ų142.676%0.75577%0.771SS**  trans81.1135.8150.3-150.20000117.6
78C24.7Very low28.9Very low103 Ų103141.6 Ų141.670%0.69677%0.766SS**  cis-176.9140.5-2.242.80000109.8
79D25Very low28.4Very low130 Ų130139.2 Ų139.270%0.69576%0.758SS**  trans48.2140.1135.3-96.6-98.2000122.5
80V27.4Very low28.1Very low122 Ų122142.7 Ų142.774%0.73976%0.757SS**  -157.1133.965.6166.10000113.4
81Q28.6Very low28Very low158 Ų158141.3 Ų141.374%0.73875%0.754SS**  trans27.8147.5141.1-65.8163.1-13.600122
82E27Very low27.8Very low171 Ų171134.8 Ų134.880%0.79974%0.741SS**  -165.7152.953.9-154.8173147.300114.9
83E30.5Very low27.8Very low143 Ų143136.5 Ų136.567%0.66874%0.737SS**  trans-3.8158.6169.8-59.7-159.2107.900123.8R85E83-R85 IonicContact OE1-NH1 3.34Å; E83-R85 PolarHBondContact OE1-NH1 3.31Å
84E31.1Very low27.5Very low145 Ų145138.9 Ų138.968%0.67874%0.735SS**  cis-141.7143.830.2-85.5-160.298.600111.6
85R26.9Very low27.3Very low163 Ų163135 Ų13562%0.61573%0.728SS**  5911473.4-137.7168.466-131.90.5113.9E83E83-R85 IonicContact OE1-NH1 3.34Å; E83-R85 PolarHBondContact OE1-NH1 3.31Å
86L27.6Very low27.2Very low122 Ų122139.4 Ų139.464%0.63973%0.731SS**  -171.1127.973.4-81.3160.1000109.3
87Q27.3Very low27Very low152 Ų152135 Ų13571%0.7172%0.723SS**  70.3107.6103.4-70.3179.39.100116.3
88D25.5Very low26.9Very low141 Ų141139.1 Ų139.175%0.75473%0.73SS**  95.6137.4106.2-80.4-56.5000109.8
89E27.6Very low27.1Very low168 Ų168138.4 Ų138.479%0.78573%0.732SS**  cis-169.1143.349.9-154.9169.9114.400109.4
90Q27.2Very low27.2Very low175 Ų175141.4 Ų141.482%0.81874%0.742SS**  trans-90.1140.2162.6-71-176.420.300109.3
91V26.2Very low27Very low132 Ų132140.1 Ų140.180%0.874%0.744SS**  trans-127.8124.6156.9177.80000108.9
92T26.2Very low26.8Very low106 Ų106138.4 Ų138.465%0.6575%0.749SS**  trans-119.1157.1174.7-45.70000107.7
93V26.3Very low26.9Very low110 Ų110135 Ų13567%0.66775%0.745SS**  trans116.1124.5141.3178.90000119.2
94N25Very low26.8Very low154 Ų154136.2 Ų136.282%0.82475%0.75SS**  trans71.1146.8149.5-68.9-8.9000121.1
95G24.8Very low26.7Very low61 Ų61137.5 Ų137.563%0.62976%0.756SS**  cis136.4154.88.900000111.1
96Q27.9Very low27Very low198 Ų198137.4 Ų137.493%0.92576%0.763SS**  trans86.6146171.7-67.1173.2-100.800118.5
97A27.6Very low27.3Very low72 Ų72137.5 Ų137.560%0.59577%0.771SS**  cis-178.2149.9-1200000109.8
98E25.3Very low27.6Very low195 Ų195134.2 Ų134.291%0.91177%0.77SS**  trans56.9149.5145.5-62.7-172.413800121.1
99A28.6Very low27.9Very low89 Ų89132.9 Ų132.974%0.73677%0.771SS**  cis-161.2153.727.400000114.2
100E26Very low28.4Very low192 Ų192130 Ų13090%0.89777%0.77SS**  trans33.2131.9145.5-59.9-152.5126.700125.3
101A23.4Very low29.1Very low96 Ų96130.1 Ų130.179%0.79377%0.77SS**  161115.294.900000115.5
102S25.9Very low29.8Very low121 Ų121129 Ų12985%0.84676%0.76SS**  trans50.3110.4138.5-139.50000124.8
103S27.4Very low30.7Very low101 Ų101133.4 Ų133.471%0.70677%0.773SS**  66.1113.6118.1-146.30000122.3
104Q29.4Very low31.7Very low167 Ų167134 Ų13478%0.7877%0.773SS**  166.7127.2108.5-87.4-179.11.700114.2
105Q29.6Very low32.9Very low172 Ų172132.6 Ų132.680%0.80476%0.761SS**  trans65.4109.2144.8-74.8175.1-82.100123.3
106E32Very low34.5Very low162 Ų162136.3 Ų136.376%0.75777%0.766SS**  trans-19.8149.9140.7-67.6-78.7130.400117.2A108E106-A108 PolarHBondContact OE2-N 3.43Å
107P33.5Very low36.3Very low124 Ų124128.9 Ų128.981%0.80574%0.737SS**  -131.4120.198.334.8-24.1000113.2S109P107-S109 PolarHBondContact O-N 2.93Å
108A35.3Very low38.3Very low83 Ų83135.6 Ų135.669%0.68675%0.747SS**  trans-4.2111.4147.700000116.6E106E106-A108 PolarHBondContact OE2-N 3.43Å
109S29.9Very low40.2Very low112 Ų112133.6 Ų133.678%0.78374%0.737SS**  trans-126.498.5141.260.50000108P107 Q111P107-S109 PolarHBondContact O-N 2.93Å; S109-Q111 PolarHBondContact O-N 3.37Å
110S38.9Very low42.3Very low108 Ų108133.3 Ų133.376%0.75573%0.727SS**  trans-57111.5158.6490000109.1
111Q41.8Very low44.5Very low177 Ų177127 Ų12783%0.82770%0.699SS**  trans164.3109.2148.8-95170.1-36.900108.4S109S109-Q111 PolarHBondContact O-N 3.37Å
112D41.1Very low47.2Very low108 Ų108126.1 Ų126.158%0.57868%0.677SS**  trans162.555.9134.5-83.4-35.5000110.8N114 E115D112-N114 VanDerWaalsContact C-N 3.32Å; D112-E115 HydrophobicContact CB-CG 4.24Å
113E44.6Very low49.7Very low199 Ų199122.3 Ų122.393%0.9365%0.647SS**SBendtrans-98.617.8160-63.2-163.715400111.1
114N48.3Very low52Low123 Ų123125 Ų12566%0.65865%0.653SS**  trans-1207.9-175.5-15372.7000114D112 D116D112-N114 VanDerWaalsContact C-N 3.32Å; N114-D116 VanDerWaalsContact C-N 3.32Å
115E49.8Very low54.1Low124 Ų124124 Ų12458%0.57965%0.649SS**THydrogen-bonded Turntrans-81.9-9.8177.4-62.2-170.6144.800113.1D112D112-E115 HydrophobicContact CB-CG 4.24Å
116D57.5Low56.1Low139 Ų139118.3 Ų118.374%0.74364%0.636SS**THydrogen-bonded Turntrans-105.524.7179.3-66.4-53.2000113.4N114 W118N114-D116 VanDerWaalsContact C-N 3.32Å; D116-W118 PolarHBondContact O-N 3.47Å
117S66.1Low58.2Low43 Ų43115.6 Ų115.630%0.30163%0.627SS.*  trans-75.6118.5167.4-1730000108.6E119 T120S117-E119 PolarHBondContact O-N 3.03Å; S117-T120 PolarHBondContact O-N 3.35Å
118W69.7Low60.3Low213 Ų213111 Ų11181%0.80760%0.598SS**Hα-helixtrans-50.3-22.1176-76.184.7000114D116D116-W118 PolarHBondContact O-N 3.47Å
119E64.8Low62.2Low153 Ų153111.5 Ų111.572%0.71559%0.588SS**Hα-helixtrans-83.5-11.3178.3-158.9169.4-143.600113.6S117S117-E119 PolarHBondContact O-N 3.03Å
120T73.4Confident64.6Low83 Ų83108.7 Ų108.751%0.50956%0.564SS.*Hα-helixtrans-100.2-24.8178.1-41.40000112.1S117S117-T120 PolarHBondContact O-N 3.35Å
121L73Confident66.4Low59 Ų59108.4 Ų108.431%0.30956%0.56SS.*Hα-helixtrans-85.9-18.4177.8-62.8175.3000113.3C128 L129L121-C128 CarbonylContact O-C 3.58Å; L121-C128 WeakPolarHBondContact O-CA 3.18Å; L121-L129 PolarHBondContact O-N 2.75Å
122F78.6Confident67.8Low78 Ų78106.1 Ų106.134%0.34255%0.549SS..BIsolated β-bridgetrans-135.5140.5179.6-67.6-90.1000110.7D127 C128F122-D127 VanDerWaalsContact CA-O 3.26Å; F122-D127 WeakPolarHBondContact CA-O 3.44Å; F122-C128 HydrophobicContact CD1-CB 4.03Å; F122-C128 HydrophobicContact CE1-CB 3.62Å; F122-C128 HydrophobicContact CZ-CB 4.17Å
123N79.6Confident69.1Low40 Ų40104.6 Ų104.621%0.21454%0.541CS..  trans-75.8168168.4634.4000111.2E125 G126 D127 L129N123-E125 WeakPolarHBondContact CB-OE2 3.37Å; N123-E125 PolarHBondContact ND2-OE2 2.96Å; N123-E125 PolarHBondContact O-N 3Å; N123-E125 PolarHBondContact OD1-N 3.43Å; N123-G126 PolarHBondContact O-N 3.21Å; N123-G126 PolarHBondContact OD1-N 3.04Å; N123-D127 PolarHBondContact N-O 2.99Å; N123-D127 WeakPolarHBondContact OD1-CA 3.3Å; N123-D127 WeakPolarHBondContact OD1-CB 3.23Å; N123-D127 PolarHBondContact OD1-N 2.7Å; N123-D127 PolarHBondContact OD1-O 2.91Å; N123-L129 HydrophobicContact CB-CD1 4.2Å; N123-L129 HydrophobicContact CB-CG 4.46Å
124D74.6Confident70.6Confident157 Ų15799.5 Ų99.584%0.8452%0.519SS*.THydrogen-bonded Turntrans-61.5-13.7176-82.3-21.6000113.2
125E75Confident71.9Confident148 Ų14899.6 Ų99.669%0.69252%0.515SS*.THydrogen-bonded Turntrans-87.1-9.4173.5-58.788.5-15800113.9N123N123-E125 WeakPolarHBondContact CB-OE2 3.37Å; N123-E125 PolarHBondContact ND2-OE2 2.96Å; N123-E125 PolarHBondContact O-N 3Å; N123-E125 PolarHBondContact OD1-N 3.43Å
126G69.9Low73Confident52 Ų5299.8 Ų99.854%0.53652%0.517SS..SBendtrans899.3177.500000115.8N123N123-G126 PolarHBondContact O-N 3.21Å; N123-G126 PolarHBondContact OD1-N 3.04Å
127D76.8Confident73.6Confident104 Ų10497.5 Ų97.556%0.55650%0.504SS*.  trans-82.3136.4172.8-64-37.8000111.3F122 N123F122-D127 VanDerWaalsContact CA-O 3.26Å; F122-D127 WeakPolarHBondContact CA-O 3.44Å; N123-D127 PolarHBondContact N-O 2.99Å; N123-D127 WeakPolarHBondContact OD1-CA 3.3Å; N123-D127 WeakPolarHBondContact OD1-CB 3.23Å; N123-D127 PolarHBondContact OD1-N 2.7Å; N123-D127 PolarHBondContact OD1-O 2.91Å
128C78.1Confident73.8Confident28 Ų2898.5 Ų98.519%0.18952%0.515CS..BIsolated β-bridgetrans-74.2130.1177.6-169.50000110.4L121 F122 L134L121-C128 CarbonylContact O-C 3.58Å; L121-C128 WeakPolarHBondContact O-CA 3.18Å; F122-C128 HydrophobicContact CD1-CB 4.03Å; F122-C128 HydrophobicContact CE1-CB 3.62Å; F122-C128 HydrophobicContact CZ-CB 4.17Å; C128-L134 WeakPolarHBondContact O-CD1 3.25Å
129L75.5Confident73.9Confident94 Ų9494 Ų9449%0.49251%0.506SS..  trans-98.4-3.2-178.7-64.2176.4000113.3L121 N123 P131L121-L129 PolarHBondContact O-N 2.75Å; N123-L129 HydrophobicContact CB-CD1 4.2Å; N123-L129 HydrophobicContact CB-CG 4.46Å; L129-P131 WeakPolarHBondContact O-CD 3.34Å
130D78.8Confident73.8Confident52 Ų5289 Ų8928%0.27849%0.488SS..  trans-64.9113.2-179.6178.43.5000110.8H132 L133 L134D130-H132 PolarHBondContact O-N 3.49Å; D130-H132 PolarHBondContact OD1-N 3.06Å; D130-L133 HydrophobicContact CB-CB 4.02Å; D130-L133 PolarHBondContact O-N 2.92Å; D130-L134 PolarHBondContact O-N 3.39Å
131P78.1Confident73.2Confident102 Ų10293 Ų9366%0.66250%0.501SS*.Hα-helixtrans-59.7-32.1-177.5-23.434.7000113.6L129 E135L129-P131 WeakPolarHBondContact O-CD 3.34Å; P131-E135 PolarHBondContact O-N 3.06Å; P131-E135 VanDerWaalsContact O-N 3.13Å
132H69.6Low72.6Confident129 Ų12993.6 Ų93.660%0.59752%0.521SS*.Hα-helixtrans-74.7-38.7-178.8-175.3-93.6000111.3D130 E135 E136D130-H132 PolarHBondContact O-N 3.49Å; D130-H132 PolarHBondContact OD1-N 3.06Å; H132-E135 PolarHBondContact O-N 2.71Å; H132-E136 PolarHBondContact O-N 2.86Å; H132-E136 VanDerWaalsContact O-N 3.1Å
133L69.9Low71.7Confident77 Ų7799 Ų9940%0.40354%0.539SS..Hα-helixtrans-67.6-39.6174.6-126.686.4000111.7D130 E135 E136 L137D130-L133 HydrophobicContact CB-CB 4.02Å; D130-L133 PolarHBondContact O-N 2.92Å; L133-E135 VanDerWaalsContact C-N 3.35Å; L133-E136 PolarHBondContact O-N 2.95Å; L133-L137 WeakPolarHBondContact O-CB 3.1Å; L133-L137 VanDerWaalsContact O-CG 3.25Å; L133-L137 WeakPolarHBondContact O-CG 3.26Å; L133-L137 PolarHBondContact O-N 2.76Å
134L75.4Confident70.8Confident91 Ų91106.6 Ų106.648%0.47657%0.57SS.*Hα-helixtrans-61.6-42.2175.4-111.670.1000112.1C128 D130 L137 A138C128-L134 WeakPolarHBondContact O-CD1 3.25Å; D130-L134 PolarHBondContact O-N 3.39Å; L134-L137 PolarHBondContact O-N 3.03Å; L134-A138 WeakPolarHBondContact O-CB 3.38Å; L134-A138 PolarHBondContact O-N 2.8Å
135E75.9Confident70.4Confident125 Ų125107.9 Ų107.958%0.58457%0.569SS**Hα-helixtrans-65-42.1177-172.4171.1-173.200111.4P131 H132 L133 A138 L139P131-E135 PolarHBondContact O-N 3.06Å; P131-E135 VanDerWaalsContact O-N 3.13Å; H132-E135 PolarHBondContact O-N 2.71Å; L133-E135 VanDerWaalsContact C-N 3.35Å; E135-A138 PolarHBondContact O-N 3.12Å; E135-L139 HydrophobicContact CG-CD1 4Å; E135-L139 WeakPolarHBondContact O-CB 3.42Å; E135-L139 VanDerWaalsContact O-CD1 3.3Å; E135-L139 WeakPolarHBondContact O-CD1 3.43Å; E135-L139 VanDerWaalsContact O-CG 3.23Å; E135-L139 WeakPolarHBondContact O-CG 3.39Å; E135-L139 PolarHBondContact O-N 3.48Å
136E73.3Confident69.8Low129 Ų129110 Ų11060%0.60358%0.576SS**Hα-helixtrans-63.9-42.1175.8-169.8177.8127.800112.2H132 L133 L139 S140H132-E136 PolarHBondContact O-N 2.86Å; H132-E136 VanDerWaalsContact O-N 3.1Å; L133-E136 PolarHBondContact O-N 2.95Å; E136-L139 PolarHBondContact O-N 3.34Å; E136-S140 WeakPolarHBondContact O-CB 3.46Å; E136-S140 PolarHBondContact O-N 3.14Å; E136-S140 PolarHBondContact O-OG 3.29Å
137L69.1Low69.5Low90 Ų90111.7 Ų111.747%0.47158%0.579SS.*Hα-helixtrans-62.7-47.8176.5-71.9171.6000111L133 L134 L139 S140 E141L133-L137 WeakPolarHBondContact O-CB 3.1Å; L133-L137 VanDerWaalsContact O-CG 3.25Å; L133-L137 WeakPolarHBondContact O-CG 3.26Å; L133-L137 PolarHBondContact O-N 2.76Å; L134-L137 PolarHBondContact O-N 3.03Å; L137-L139 VanDerWaalsContact C-N 3.3Å; L137-L139 PolarHBondContact O-N 3.24Å; L137-S140 CarbonylContact O-C 3.41Å; L137-S140 WeakPolarHBondContact O-CA 3.45Å; L137-S140 PolarHBondContact O-N 3.01Å; L137-S140 PolarHBondContact O-OG 3.43Å; L137-E141 WeakPolarHBondContact O-CG 3.47Å; L137-E141 PolarHBondContact O-N 2.82Å
138A71.2Confident68.9Low65 Ų65117.1 Ų117.154%0.53760%0.598SS.*Hα-helixtrans-60.8-36.2177.500000112.9L134 E135 S140L134-A138 WeakPolarHBondContact O-CB 3.38Å; L134-A138 PolarHBondContact O-N 2.8Å; E135-A138 PolarHBondContact O-N 3.12Å; A138-S140 VanDerWaalsContact C-N 3.29Å; A138-S140 PolarHBondContact O-N 3Å
139L71.6Confident68.1Low119 Ų119123.5 Ų123.562%0.62363%0.625SS**Hα-helixtrans-70.1-26.2173.8-73.1160.6000112.7E135 E136 L137E135-L139 HydrophobicContact CG-CD1 4Å; E135-L139 WeakPolarHBondContact O-CB 3.42Å; E135-L139 VanDerWaalsContact O-CD1 3.3Å; E135-L139 WeakPolarHBondContact O-CD1 3.43Å; E135-L139 VanDerWaalsContact O-CG 3.23Å; E135-L139 WeakPolarHBondContact O-CG 3.39Å; E135-L139 PolarHBondContact O-N 3.48Å; E136-L139 PolarHBondContact O-N 3.34Å; L137-L139 VanDerWaalsContact C-N 3.3Å; L137-L139 PolarHBondContact O-N 3.24Å
140S62.4Low67.4Low48 Ų48127.1 Ų127.134%0.33664%0.639SS.*Hα-helixtrans-91.5-23.3-177.382.30000114.3E136 L137 A138 G142 R143E136-S140 WeakPolarHBondContact O-CB 3.46Å; E136-S140 PolarHBondContact O-N 3.14Å; E136-S140 PolarHBondContact O-OG 3.29Å; L137-S140 CarbonylContact O-C 3.41Å; L137-S140 WeakPolarHBondContact O-CA 3.45Å; L137-S140 PolarHBondContact O-N 3.01Å; L137-S140 PolarHBondContact O-OG 3.43Å; A138-S140 VanDerWaalsContact C-N 3.29Å; A138-S140 PolarHBondContact O-N 3Å; S140-G142 PolarHBondContact O-N 3.22Å; S140-G142 VanDerWaalsContact O-N 3.12Å; S140-R143 CarbonylContact O-C 3.45Å; S140-R143 PolarHBondContact O-N 2.92Å
141E61.1Low66.7Low165 Ų165129.3 Ų129.377%0.77166%0.656SS**THydrogen-bonded Turntrans-58.8-25.7-179.3-83.5-175.7157.900113.5L137L137-E141 WeakPolarHBondContact O-CG 3.47Å; L137-E141 PolarHBondContact O-N 2.82Å
142G59.5Low66.1Low72 Ų72135.8 Ų135.874%0.74267%0.667SS**THydrogen-bonded Turntrans-87.4-14173.400000114.9S140S140-G142 PolarHBondContact O-N 3.22Å; S140-G142 VanDerWaalsContact O-N 3.12Å
143R59.7Low65.6Low192 Ų192136.1 Ų136.173%0.72567%0.667SS**  trans-104.383.4-176.4-61.8-174.8-173.1-159.72.5109.1S140 K145S140-R143 CarbonylContact O-C 3.45Å; S140-R143 PolarHBondContact O-N 2.92Å; R143-K145 PolarHBondContact O-N 3.37Å
144K61.8Low65.5Low199 Ų199135.5 Ų135.587%0.86566%0.664SS**  trans-60.886.4164.5-64.4-174.8-178.4-1780108.9K146K144-K146 PolarHBondContact O-N 2.89Å
145K65.4Low65.1Low184 Ų184140.4 Ų140.480%0.868%0.678SS**  trans-59.5110.1166.3-73.9172.8-179.1165.50105R143 S147R143-K145 PolarHBondContact O-N 3.37Å; K145-S147 PolarHBondContact O-N 3.36Å
146K61.8Low64.7Low194 Ų194144.9 Ų144.984%0.84369%0.691SS**  trans-54.4117.7172.1-63.1-177.2-179.4-175.80106.4K144 K148K144-K146 PolarHBondContact O-N 2.89Å; K146-K148 PolarHBondContact O-N 3.05Å
147S65.6Low64.2Low86 Ų86143.5 Ų143.560%0.60169%0.688SS**  trans-52.4118.7175.31770000107.1K145 Q149K145-S147 PolarHBondContact O-N 3.36Å; S147-Q149 PolarHBondContact O-N 2.93Å; S147-Q149 VanDerWaalsContact O-N 3.14Å; S147-Q149 PolarHBondContact OG-N 3.05Å; S147-Q149 PolarHBondContact OG-O 3.34Å
148K62.2Low63.5Low218 Ų218144.5 Ų144.595%0.94869%0.691SS**SBendtrans-67.8-7.4175.7-67.5-179.5180179.50111.9K146K146-K148 PolarHBondContact O-N 3.05Å
149Q61.5Low62.8Low162 Ų162147.2 Ų147.276%0.75770%0.697SS**SBendtrans-114.791.7175.3-141174.5-7.800106.3S147S147-Q149 PolarHBondContact O-N 2.93Å; S147-Q149 VanDerWaalsContact O-N 3.14Å; S147-Q149 PolarHBondContact OG-N 3.05Å; S147-Q149 PolarHBondContact OG-O 3.34Å
150E62.3Low62Low170 Ų170149.7 Ų149.779%0.79471%0.708SS**  trans-59.8130.7159.1-74.7179171.100106.6R152E150-R152 PolarHBondContact O-N 2.85Å
151P63.9Low61.5Low99 Ų99154.4 Ų154.464%0.64373%0.729SS**  trans-58117.3173.524.6-31.2000107.1F153P151-F153 PolarHBondContact O-N 3.38Å
152R64.4Low61.2Low237 Ų237152.7 Ų152.789%0.89473%0.725SS**SBendtrans-59.6-18.8178.3-176.3169.5168.9159.7-3112.3E150E150-R152 PolarHBondContact O-N 2.85Å
153F60.4Low60.7Low136 Ų136157.7 Ų157.760%0.59673%0.729SS**SBendtrans-133.8115.9173-86.2-88.1000108.9P151 Y155P151-F153 PolarHBondContact O-N 3.38Å; F153-Y155 HydrophobicContact CB-CD2 4.12Å; F153-Y155 HydrophobicContact CB-CE2 4.02Å; F153-Y155 PolarHBondContact O-N 3.45Å
154D67.8Low60.3Low64 Ų64154.6 Ų154.634%0.34273%0.727SS.*  trans-79.4101.6165-167-23.6000108.3Y156 N157D154-Y156 PolarHBondContact O-N 3.38Å; D154-Y156 PolarHBondContact OD1-N 3.43Å; D154-N157 HydrophobicContact CB-CB 4.47Å; D154-N157 PolarHBondContact OD1-N 2.91Å; D154-N157 WeakPolarHBondContact OD2-CB 3.32Å; D154-N157 PolarHBondContact OD2-ND2 3.22Å
155Y65.8Low59.7Low194 Ų194155 Ų15576%0.76173%0.732SS**SBendtrans-72.4-13.9-179.4-92.7-94000113.5F153F153-Y155 HydrophobicContact CB-CD2 4.12Å; F153-Y155 HydrophobicContact CB-CE2 4.02Å; F153-Y155 PolarHBondContact O-N 3.45Å
156Y68.8Low58.8Low220 Ų220150.6 Ų150.686%0.86372%0.716SS**SBendtrans-110.7-26-172-65.5-76.6000112.8D154D154-Y156 PolarHBondContact O-N 3.38Å; D154-Y156 PolarHBondContact OD1-N 3.43Å
157N61.8Low58.2Low99 Ų99147 Ų14753%0.52971%0.706SS.*  trans-104.763.6164.7-54.9-60.2000109.5D154 D159D154-N157 HydrophobicContact CB-CB 4.47Å; D154-N157 PolarHBondContact OD1-N 2.91Å; D154-N157 WeakPolarHBondContact OD2-CB 3.32Å; D154-N157 PolarHBondContact OD2-ND2 3.22Å; N157-D159 VanDerWaalsContact C-N 3.26Å; N157-D159 PolarHBondContact O-N 2.98Å
158M53.8Low57.3Low111 Ų111148.2 Ų148.255%0.54771%0.705SS.*  trans-78.494150.4-68.6-79.280.900104.7M160M158-M160 VanDerWaalsContact C-N 3.33Å; M158-M160 PolarHBondContact O-N 3.35Å
159D56.6Low57Low122 Ų122142.3 Ų142.365%0.65269%0.688SS**  trans-51.2104.5167.3-66.7-50.4000106.6N157 D161N157-D159 VanDerWaalsContact C-N 3.26Å; N157-D159 PolarHBondContact O-N 2.98Å; D159-D161 PolarHBondContact O-N 2.98Å; D159-D161 VanDerWaalsContact O-N 3.15Å
160M55.1Low57Low172 Ų172136.7 Ų136.785%0.84766%0.662SS**THydrogen-bonded Turntrans-74.56.8179.6-73-76.1179.900111.6M158M158-M160 VanDerWaalsContact C-N 3.33Å; M158-M160 PolarHBondContact O-N 3.35Å
161D53.3Low57.1Low147 Ų147133.8 Ų133.879%0.78665%0.651SS**THydrogen-bonded Turntrans-121.3-7.8-163-72.8-54.8000114D159D159-D161 PolarHBondContact O-N 2.98Å; D159-D161 VanDerWaalsContact O-N 3.15Å
162D54.3Low57.5Low129 Ų129133.7 Ų133.769%0.6964%0.642SS**SBendtrans-129.3122.7-177.7-68.1-57.4000112.3
163E48.9Very low58.1Low176 Ų176122.7 Ų122.782%0.82260%0.601SS**SBendtrans75.396.8179.5-104.597.5-13500116.3
164D51.3Low59.3Low127 Ų127118.5 Ų118.568%0.67959%0.589SS**  trans84.286.8167.4-47-39.4000115.1I166D164-I166 HydrophobicContact CB-CB 4.13Å; D164-I166 HydrophobicContact CB-CG1 3.34Å; D164-I166 WeakPolarHBondContact O-CG1 3.35Å; D164-I166 PolarHBondContact O-N 3.22Å
165E48.5Very low60.2Low207 Ų207117.3 Ų117.397%0.96758%0.581SS**  -59.877.1129.5-176.1164.5-168.400105.8
166I47.3Very low61.3Low92 Ų92108.1 Ų108.147%0.47255%0.545SS..  trans-50.6147-168.7-59.5151.4000107D164 L168D164-I166 HydrophobicContact CB-CB 4.13Å; D164-I166 HydrophobicContact CB-CG1 3.34Å; D164-I166 WeakPolarHBondContact O-CG1 3.35Å; D164-I166 PolarHBondContact O-N 3.22Å; I166-L168 HydrophobicContact CB-CB 4.36Å; I166-L168 HydrophobicContact CB-CD1 3.72Å; I166-L168 HydrophobicContact CB-CG 3.71Å; I166-L168 HydrophobicContact CD1-CD1 3.85Å; I166-L168 HydrophobicContact CD1-CG 4.29Å; I166-L168 HydrophobicContact CG1-CD1 4.29Å; I166-L168 HydrophobicContact CG2-CD1 4.41Å; I166-L168 HydrophobicContact CG2-CG 3.87Å; I166-L168 PolarHBondContact O-N 3.3Å
167D49Very low62.4Low120 Ų12097.7 Ų97.764%0.64251%0.505SS*.THydrogen-bonded Turntrans-39.812.5151.6-83.9-32.6000115.2T169 E170 D171D167-T169 PolarHBondContact O-N 3.32Å; D167-T169 VanDerWaalsContact O-N 3.1Å; D167-E170 HydrophobicContact CB-CB 4.49Å; D167-E170 CarbonylContact O-C 3.58Å; D167-E170 WeakPolarHBondContact O-CA 3.36Å; D167-E170 PolarHBondContact O-N 2.75Å; D167-D171 WeakPolarHBondContact O-CB 3.14Å; D167-D171 PolarHBondContact O-N 3.28Å
168L47.3Very low63.9Low110 Ų11093 Ų9358%0.57648%0.479SS*.Hα-helixtrans-42.8-41.2169-79.7154000111.3I166 E172I166-L168 HydrophobicContact CB-CB 4.36Å; I166-L168 HydrophobicContact CB-CD1 3.72Å; I166-L168 HydrophobicContact CB-CG 3.71Å; I166-L168 HydrophobicContact CD1-CD1 3.85Å; I166-L168 HydrophobicContact CD1-CG 4.29Å; I166-L168 HydrophobicContact CG1-CD1 4.29Å; I166-L168 HydrophobicContact CG2-CD1 4.41Å; I166-L168 HydrophobicContact CG2-CG 3.87Å; I166-L168 PolarHBondContact O-N 3.3Å; L168-E172 WeakPolarHBondContact O-CA 3.43Å; L168-E172 WeakPolarHBondContact O-CB 3.32Å; L168-E172 PolarHBondContact O-N 3.27Å
169T55.6Low65.7Low95 Ų9587.8 Ų87.858%0.58345%0.454SS*.Hα-helixtrans-73.2-29.7177.764.20000113.6D167 L173D167-T169 PolarHBondContact O-N 3.32Å; D167-T169 VanDerWaalsContact O-N 3.1Å; T169-L173 WeakPolarHBondContact O-CD1 2.96Å; T169-L173 WeakPolarHBondContact O-CG 3.34Å
170E60.3Low67.4Low44 Ų4485 Ų8521%0.20644%0.435CS..Hα-helixtrans-85.8-35.9177.8-169.879.4-146.600110.8D167 L173 S174 S240D167-E170 HydrophobicContact CB-CB 4.49Å; D167-E170 CarbonylContact O-C 3.58Å; D167-E170 WeakPolarHBondContact O-CA 3.36Å; D167-E170 PolarHBondContact O-N 2.75Å; E170-L173 CarbonylContact O-C 3.57Å; E170-L173 WeakPolarHBondContact O-CA 3.1Å; E170-L173 PolarHBondContact O-N 3.48Å; E170-L173 VanDerWaalsContact O-N 3.13Å; E170-S174 PolarHBondContact O-N 2.93Å; E170-S240 WeakPolarHBondContact OE1-CA 3.15Å; E170-S240 WeakPolarHBondContact OE1-CB 3.37Å; E170-S240 PolarHBondContact OE1-N 3.38Å; E170-S240 PolarHBondContact OE1-OG 3.02Å
171D64.9Low69.2Low108 Ų10881.1 Ų81.158%0.57842%0.417SS*.Hα-helixtrans-73.7-34.2174.8-165.440.3000112.1D167 L173 S174D167-D171 WeakPolarHBondContact O-CB 3.14Å; D167-D171 PolarHBondContact O-N 3.28Å; D171-L173 PolarHBondContact O-N 3.24Å; D171-S174 WeakPolarHBondContact CA-OG 3.5Å; D171-S174 WeakPolarHBondContact O-CB 3.42Å; D171-S174 PolarHBondContact O-N 3.25Å; D171-S174 PolarHBondContact O-OG 3.15Å; D171-S174 PolarHBondContact OD1-OG 2.79Å
172E72.3Confident71Confident97 Ų9774.5 Ų74.545%0.45338%0.381SS..THydrogen-bonded Turntrans-60.1-28.2167.8-178.4167.3-139.700110.5L168 H175 L258L168-E172 WeakPolarHBondContact O-CA 3.43Å; L168-E172 WeakPolarHBondContact O-CB 3.32Å; L168-E172 PolarHBondContact O-N 3.27Å; E172-H175 PolarHBondContact O-CE1 2.92Å; E172-H175 PolarHBondContact O-ND1 3.25Å; E172-L258 VanDerWaalsContact CD-CD1 3.45Å; E172-L258 HydrophobicContact CG-CD1 3.84Å; E172-L258 WeakPolarHBondContact OE1-CD1 3.38Å
173L77.7Confident72.8Confident6 Ų671.1 Ų71.13%0.03137%0.367CS..THydrogen-bonded Turntrans-92.22.1175.7-58167.8000113.4T169 E170 D171 H175 I176 L239 R251 S254T169-L173 WeakPolarHBondContact O-CD1 2.96Å; T169-L173 WeakPolarHBondContact O-CG 3.34Å; E170-L173 CarbonylContact O-C 3.57Å; E170-L173 WeakPolarHBondContact O-CA 3.1Å; E170-L173 PolarHBondContact O-N 3.48Å; E170-L173 VanDerWaalsContact O-N 3.13Å; D171-L173 PolarHBondContact O-N 3.24Å; L173-H175 PolarHBondContact O-N 3.36Å; L173-H175 VanDerWaalsContact O-N 3.1Å; L173-I176 HydrophobicContact CD2-CD1 3.74Å; L173-I176 PolarHBondContact O-N 3.23Å; L173-L239 HydrophobicContact CB-CD2 3.62Å; L173-L239 HydrophobicContact CD1-CD2 3.64Å; L173-L239 HydrophobicContact CD2-CD2 4.31Å; L173-L239 HydrophobicContact CG-CD2 4.05Å; L173-R251 HydrophobicContact CD1-CG 3.91Å; L173-S254 VanDerWaalsContact CD2-CB 3.48Å; L173-S254 WeakPolarHBondContact CD2-OG 3.4Å
174S84.6Confident74.7Confident49 Ų4967.8 Ų67.834%0.34336%0.358SS..THydrogen-bonded Turntrans-59.9-21.2177.1-73.50000113.7E170 D171 I176 A223E170-S174 PolarHBondContact O-N 2.93Å; D171-S174 WeakPolarHBondContact CA-OG 3.5Å; D171-S174 WeakPolarHBondContact O-CB 3.42Å; D171-S174 PolarHBondContact O-N 3.25Å; D171-S174 PolarHBondContact O-OG 3.15Å; D171-S174 PolarHBondContact OD1-OG 2.79Å; S174-I176 VanDerWaalsContact C-N 3.3Å; S174-A223 WeakPolarHBondContact O-CB 3.36Å
175H87Confident76.5Confident38 Ų3869.8 Ų69.818%0.17636%0.363CS..THydrogen-bonded Turntrans-84.4-3176.372.1-85.8000113.4E172 L173 F217 P220E172-H175 PolarHBondContact O-CE1 2.92Å; E172-H175 PolarHBondContact O-ND1 3.25Å; L173-H175 PolarHBondContact O-N 3.36Å; L173-H175 VanDerWaalsContact O-N 3.1Å; H175-F217 WeakPolarHBondContact CB-O 3.39Å; H175-F217 PolarHBondContact CD2-O 3.11Å; H175-F217 WeakPolarHBondContact O-CB 3.36Å; H175-F217 WeakPolarHBondContact O-CD2 3.36Å; H175-F217 PolarHBondContact O-N 3.1Å; H175-P220 HydrophobicContact CB-CB 4.49Å
176I89.6Confident78.4Confident2 Ų261.3 Ų61.31%0.0132%0.323CS..EExtended strand (participates in β ladder)trans-106.9129.8178.6-52.8-176.6000109.4L173 S174 L214 L216 A250L173-I176 HydrophobicContact CD2-CD1 3.74Å; L173-I176 PolarHBondContact O-N 3.23Å; S174-I176 VanDerWaalsContact C-N 3.3Å; I176-L214 HydrophobicContact CG2-CB 4.4Å; I176-L214 HydrophobicContact CG2-CD2 3.92Å; I176-L216 HydrophobicContact CG1-CG 4.39Å; I176-A250 HydrophobicContact CG2-CB 4.42Å
177V91.1Very high80.4Confident1 Ų163.5 Ų63.51%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-121.6138.1178.3-178.10000109.3G215 F217 A223 L227 L236 R237V177-G215 PolarHBondContact N-O 3.1Å; V177-G215 PolarHBondContact O-N 3.19Å; V177-F217 HydrophobicContact CB-CD2 4.42Å; V177-F217 HydrophobicContact CB-CE2 3.81Å; V177-F217 HydrophobicContact CG2-CD2 3.92Å; V177-F217 HydrophobicContact CG2-CE2 3.61Å; V177-A223 HydrophobicContact CG2-CB 3.64Å; V177-L227 HydrophobicContact CG1-CD2 3.7Å; V177-L227 HydrophobicContact CG1-CG 4.09Å; V177-L227 HydrophobicContact CG2-CD1 4.32Å; V177-L227 HydrophobicContact CG2-CG 4.24Å; V177-L236 HydrophobicContact CG1-CB 4.08Å; V177-L236 HydrophobicContact CG1-CD2 4.13Å; V177-R237 WeakPolarHBondContact CG1-O 3.38Å
178E92.6Very high82.2Confident0 Ų062.7 Ų62.70%032%0.323CS..EExtended strand (participates in β ladder)trans-88.8131.5171-176.2-176.5-16600110.6H212 L214 L236 R237 S242 T246E178-H212 IonicContact OE1-CD2 2.85Å; E178-L214 HydrophobicContact CB-CD2 4.46Å; E178-L236 WeakPolarHBondContact O-CA 3.4Å; E178-R237 HydrophobicContact CB-CG 4.11Å; E178-R237 PolarHBondContact N-O 3.19Å; E178-R237 PolarHBondContact O-N 3.19Å; E178-R237 IonicContact OE1-CZ 2.6Å; E178-R237 IonicContact OE1-NE 3.69Å; E178-R237 IonicContact OE1-NH2 2.6Å; E178-R237 PolarHBondContact OE1-NH2 3.03Å; E178-R237 IonicContact OE2-CZ 3.8Å; E178-R237 IonicContact OE2-NE 2.7Å; E178-R237 PolarHBondContact OE2-NE 3.2Å; E178-R237 IonicContact OE2-NH2 3.75Å; E178-R237 PolarHBondContact OE2-NH2 3.22Å; E178-S242 VanDerWaalsContact OE2-CA 3.3Å; E178-S242 WeakPolarHBondContact OE2-CA 3.49Å; E178-S242 WeakPolarHBondContact OE2-CB 3.28Å; E178-S242 PolarHBondContact OE2-OG 3.39Å; E178-T246 HydrophobicContact CB-CG2 4.24Å; E178-T246 VanDerWaalsContact CD-CG2 3.47Å; E178-T246 HydrophobicContact CG-CG2 3.81Å; E178-T246 WeakPolarHBondContact OE1-CG2 3.41Å; E178-T246 PolarHBondContact OE1-OG1 3.15Å
179I93.2Very high84.3Confident2 Ų263.7 Ų63.71%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-102.4120.7173.2-43.4-177.9000107.1F182 L191 F195 F203 H212 A213 M234 L236I179-F182 HydrophobicContact CB-CE1 4.42Å; I179-F182 HydrophobicContact CG2-CD1 3.89Å; I179-F182 HydrophobicContact CG2-CE1 4.08Å; I179-L191 HydrophobicContact CG2-CD2 4.24Å; I179-F195 HydrophobicContact CD1-CD2 4.37Å; I179-F195 HydrophobicContact CD1-CE2 3.69Å; I179-F195 HydrophobicContact CD1-CZ 4.23Å; I179-F203 HydrophobicContact CD1-CZ 4.48Å; I179-H212 WeakPolarHBondContact O-CA 3.46Å; I179-A213 HydrophobicContact CB-CB 4.34Å; I179-A213 PolarHBondContact N-O 2.7Å; I179-A213 PolarHBondContact O-N 2.6Å; I179-M234 HydrophobicContact CG2-CB 4.4Å; I179-M234 HydrophobicContact CG2-CG 4.38Å; I179-M234 HydrophobicContact CG2-SD 3.26Å; I179-M234 WeakPolarHBondContact CG2-SD 3.03Å; I179-L236 HydrophobicContact CB-CD2 4Å; I179-L236 HydrophobicContact CD1-CD2 4.36Å; I179-L236 HydrophobicContact CG1-CD2 3.57Å; I179-L236 HydrophobicContact CG2-CD2 3.91Å
180Y92.2Very high86Confident64 Ų6461.3 Ų61.325%0.25131%0.309SS..EExtended strand (participates in β ladder)trans-139.5166.2-175.974.3-76.3000111.6F182 S211 K235 R237Y180-F182 PolarHBondContact O-N 2.86Å; Y180-S211 WeakPolarHBondContact CA-O 3.41Å; Y180-K235 HydrophobicContact CD1-CB 3.88Å; Y180-K235 VanDerWaalsContact CD1-O 3.3Å; Y180-K235 WeakPolarHBondContact CD1-O 3.42Å; Y180-K235 HydrophobicContact CD2-CB 4.31Å; Y180-K235 HydrophobicContact CE1-CB 3.37Å; Y180-K235 HydrophobicContact CE2-CB 3.87Å; Y180-K235 HydrophobicContact CE2-CD 3.89Å; Y180-K235 HydrophobicContact CG-CB 4.32Å; Y180-K235 PolarHBondContact N-O 3.04Å; Y180-K235 PolarHBondContact O-N 2.99Å; Y180-R237 HydrophobicContact CD1-CB 4.34Å; Y180-R237 HydrophobicContact CD1-CG 3.73Å; Y180-R237 HydrophobicContact CE1-CB 3.75Å; Y180-R237 HydrophobicContact CE1-CG 3.59Å
181D91.8Very high87.4Confident90 Ų9059.2 Ų59.248%0.48130%0.299SS..SBendtrans61.240.9175.1-163.335.9000113.1S211 K235D181-S211 PolarHBondContact N-O 2.84Å; D181-K235 HydrophobicContact CB-CD 4.19Å; D181-K235 HydrophobicContact CB-CG 4.47Å; D181-K235 WeakPolarHBondContact OD2-CD 3.39Å; D181-K235 VanDerWaalsContact OD2-CE 3.28Å; D181-K235 WeakPolarHBondContact OD2-CE 3.47Å; D181-K235 IonicContact OD2-NZ 3.07Å; D181-K235 PolarHBondContact OD2-NZ 3.33Å
182F92.2Very high88.5Confident7 Ų756.6 Ų56.63%0.03129%0.285CS..  trans-105.8151.6169.859.9-98.2000111.2I179 Y180 F186 L191 W207 D210 S211 A213 L233 M234I179-F182 HydrophobicContact CB-CE1 4.42Å; I179-F182 HydrophobicContact CG2-CD1 3.89Å; I179-F182 HydrophobicContact CG2-CE1 4.08Å; Y180-F182 PolarHBondContact O-N 2.86Å; F182-F186 HydrophobicContact CB-CG 4.45Å; F182-F186 HydrophobicContact CD2-CB 3.65Å; F182-F186 HydrophobicContact CD2-CG 4.13Å; F182-F186 HydrophobicContact CE2-CB 4.1Å; F182-L191 HydrophobicContact CZ-CD1 4.42Å; F182-W207 AromaticContact CE2-CH2 3.52Å; F182-W207 HydrophobicContact CE2-CH2 3.52Å; F182-W207 AromaticContact CE2-CZ3 3.45Å; F182-W207 HydrophobicContact CE2-CZ3 3.45Å; F182-W207 VanDerWaalsContact CE2-CZ3 3.45Å; F182-W207 HydrophobicContact CZ-CE3 4.29Å; F182-W207 AromaticContact CZ-CH2 3.77Å; F182-W207 HydrophobicContact CZ-CH2 3.77Å; F182-W207 AromaticContact CZ-CZ3 3.49Å; F182-W207 HydrophobicContact CZ-CZ3 3.49Å; F182-W207 VanDerWaalsContact CZ-CZ3 3.49Å; F182-D210 WeakPolarHBondContact CE2-O 3.37Å; F182-S211 WeakPolarHBondContact CE1-O 3.12Å; F182-S211 VanDerWaalsContact CZ-C 3.5Å; F182-A213 HydrophobicContact CE1-CB 4.14Å; F182-A213 HydrophobicContact CZ-CB 4.16Å; F182-L233 WeakPolarHBondContact CA-O 3.33Å; F182-M234 HydrophobicContact CB-CB 3.8Å
183P92.1Very high89.3Confident59 Ų5959.6 Ų59.638%0.38329%0.292SS..  trans-59.1142.8179.6-22.932.2000112.3E185 F186 L233P183-E185 PolarHBondContact O-N 3.42Å; P183-F186 HydrophobicContact CB-CD2 4.22Å; P183-F186 HydrophobicContact CG-CD2 4.15Å; P183-F186 HydrophobicContact CG-CE2 4.18Å; P183-F186 WeakPolarHBondContact O-CB 3.49Å; P183-F186 PolarHBondContact O-N 3.33Å; P183-L233 WeakPolarHBondContact CD-O 3.02Å
184T87.6Confident89.7Confident105 Ų10562.2 Ų62.264%0.64431%0.306SS*.THydrogen-bonded Turntrans-63.4-10.2178.254.90000114.1F186 D210T184-F186 VanDerWaalsContact C-N 3.28Å; T184-D210 HydrophobicContact CG2-CB 4.03Å
185E88.9Confident89.8Confident169 Ų16960 Ų6079%0.7929%0.29SS*.THydrogen-bonded Turntrans-78.1-12.8172.8-62.6-177.9-172.400113P183 K187P183-E185 PolarHBondContact O-N 3.42Å; E185-K187 PolarHBondContact O-N 3.3Å
186F88.6Confident89.8Confident29 Ų2964.1 Ų64.113%0.12731%0.309CS..  trans-65.6131.7179.1-98.3-120.4000110.9F182 P183 T184 D190 L191 L194 W207 L233 M234F182-F186 HydrophobicContact CB-CG 4.45Å; F182-F186 HydrophobicContact CD2-CB 3.65Å; F182-F186 HydrophobicContact CD2-CG 4.13Å; F182-F186 HydrophobicContact CE2-CB 4.1Å; P183-F186 HydrophobicContact CB-CD2 4.22Å; P183-F186 HydrophobicContact CG-CD2 4.15Å; P183-F186 HydrophobicContact CG-CE2 4.18Å; P183-F186 WeakPolarHBondContact O-CB 3.49Å; P183-F186 PolarHBondContact O-N 3.33Å; T184-F186 VanDerWaalsContact C-N 3.28Å; F186-D190 HydrophobicContact CD1-CB 3.66Å; F186-D190 HydrophobicContact CE1-CB 3.83Å; F186-D190 HydrophobicContact CG-CB 4.19Å; F186-D190 HydrophobicContact CZ-CB 4.49Å; F186-L191 HydrophobicContact CD1-CD2 3.76Å; F186-L191 HydrophobicContact CD1-CG 4.17Å; F186-L191 HydrophobicContact CE1-CD2 4.22Å; F186-L194 HydrophobicContact CE1-CD1 4.3Å; F186-W207 WeakPolarHBondContact O-CH2 3.42Å; F186-L233 HydrophobicContact CE2-CB 4.42Å; F186-L233 HydrophobicContact CE2-CD1 4.3Å; F186-L233 HydrophobicContact CZ-CB 4.18Å; F186-L233 HydrophobicContact CZ-CD1 4.2Å; F186-M234 HydrophobicContact CE1-CE 4.45Å
187K89.3Confident89.6Confident139 Ų13969 Ų6960%0.60434%0.342SS*.  trans-101.5168.3170.1-63.9-177.4-178.5179.20110.6E185 E189 D190 L191E185-K187 PolarHBondContact O-N 3.3Å; K187-E189 PolarHBondContact O-N 2.93Å; K187-E189 VanDerWaalsContact O-N 3.16Å; K187-D190 PolarHBondContact N-OD2 3.25Å; K187-D190 PolarHBondContact O-N 3.14Å; K187-L191 PolarHBondContact O-N 3.46Å
188M88.4Confident89.3Confident102 Ų10269.7 Ų69.750%0.50235%0.345SS..Hα-helixtrans-52.4-36.7172.1-177-178-7400111.8D190 L191 L192M188-D190 VanDerWaalsContact C-N 3.34Å; M188-D190 PolarHBondContact O-N 3.05Å; M188-L191 PolarHBondContact O-N 3.23Å; M188-L192 WeakPolarHBondContact O-CB 3.42Å; M188-L192 PolarHBondContact O-N 3.48Å
189E90.6Very high88.7Confident131 Ų13174 Ų7461%0.61237%0.365SS*.Hα-helixtrans-62.3-38.8178.1-61.7178.1-165.400112.9K187 L192 R193K187-E189 PolarHBondContact O-N 2.93Å; K187-E189 VanDerWaalsContact O-N 3.16Å; E189-L192 PolarHBondContact O-N 3.37Å; E189-R193 WeakPolarHBondContact O-CB 3.49Å; E189-R193 PolarHBondContact O-N 3.16Å
190D90.8Very high88Confident45 Ų4582.5 Ų82.524%0.24141%0.405CS..Hα-helixtrans-70-45.3-179.6-60.7-51.3000110.2F186 K187 M188 L192 R193 L194F186-D190 HydrophobicContact CD1-CB 3.66Å; F186-D190 HydrophobicContact CE1-CB 3.83Å; F186-D190 HydrophobicContact CG-CB 4.19Å; F186-D190 HydrophobicContact CZ-CB 4.49Å; K187-D190 PolarHBondContact N-OD2 3.25Å; K187-D190 PolarHBondContact O-N 3.14Å; M188-D190 VanDerWaalsContact C-N 3.34Å; M188-D190 PolarHBondContact O-N 3.05Å; D190-L192 VanDerWaalsContact C-N 3.32Å; D190-L192 PolarHBondContact O-N 3.41Å; D190-R193 PolarHBondContact O-N 3.18Å; D190-R193 IonicContact OD1-NH1 3.86Å; D190-L194 WeakPolarHBondContact O-CD1 3.49Å; D190-L194 PolarHBondContact O-N 3.1Å
191L89.1Confident87.3Confident0 Ų085.9 Ų85.90%042%0.417CS..Hα-helixtrans-58.2-45.9172.7-65.5-179.5000111I179 F182 F186 K187 M188 R193 L194 F195 I205 W207 A213 M234I179-L191 HydrophobicContact CG2-CD2 4.24Å; F182-L191 HydrophobicContact CZ-CD1 4.42Å; F186-L191 HydrophobicContact CD1-CD2 3.76Å; F186-L191 HydrophobicContact CD1-CG 4.17Å; F186-L191 HydrophobicContact CE1-CD2 4.22Å; K187-L191 PolarHBondContact O-N 3.46Å; M188-L191 PolarHBondContact O-N 3.23Å; L191-R193 VanDerWaalsContact C-N 3.3Å; L191-R193 PolarHBondContact O-N 3.01Å; L191-L194 PolarHBondContact O-N 3.48Å; L191-L194 VanDerWaalsContact O-N 3.13Å; L191-F195 WeakPolarHBondContact O-CD2 3.36Å; L191-F195 PolarHBondContact O-N 3.2Å; L191-I205 HydrophobicContact CB-CD1 3.6Å; L191-I205 HydrophobicContact CD1-CG2 4.09Å; L191-W207 HydrophobicContact CD1-CH2 3.95Å; L191-W207 HydrophobicContact CD1-CZ2 3.52Å; L191-W207 HydrophobicContact CG-CZ2 4.34Å; L191-A213 HydrophobicContact CD1-CB 4Å; L191-M234 HydrophobicContact CD2-CE 3.63Å; L191-M234 HydrophobicContact CD2-SD 4.12Å
192L88.9Confident86.7Confident54 Ų5483.9 Ų83.928%0.28342%0.417SS..Hα-helixtrans-62.4-37.7179-17062.6000112.3M188 E189 D190 L194 F195 Q196 Q199 F203 I205M188-L192 WeakPolarHBondContact O-CB 3.42Å; M188-L192 PolarHBondContact O-N 3.48Å; E189-L192 PolarHBondContact O-N 3.37Å; D190-L192 VanDerWaalsContact C-N 3.32Å; D190-L192 PolarHBondContact O-N 3.41Å; L192-L194 VanDerWaalsContact C-N 3.34Å; L192-F195 CarbonylContact O-C 3.59Å; L192-F195 PolarHBondContact O-N 3.19Å; L192-Q196 WeakPolarHBondContact O-CA 3.47Å; L192-Q196 PolarHBondContact O-N 2.54Å; L192-Q199 HydrophobicContact CD1-CB 4.42Å; L192-Q199 HydrophobicContact CD1-CG 4.01Å; L192-F203 HydrophobicContact CD1-CD1 4.37Å; L192-I205 HydrophobicContact CB-CD1 4.36Å
193R88.5Confident86.5Confident160 Ų16084.3 Ų84.360%0.60442%0.419SS*.Hα-helixtrans-65.9-36.7175.8-166.4-178.7-69.6140.70.8111.7E189 D190 L191E189-R193 WeakPolarHBondContact O-CB 3.49Å; E189-R193 PolarHBondContact O-N 3.16Å; D190-R193 PolarHBondContact O-N 3.18Å; D190-R193 IonicContact OD1-NH1 3.86Å; L191-R193 VanDerWaalsContact C-N 3.3Å; L191-R193 PolarHBondContact O-N 3.01Å
194L87.4Confident86.4Confident61 Ų6185 Ų8532%0.31942%0.42SS..Hα-helixtrans-70.7-31.9176.2-85.980.3000112.4F186 D190 L191 L192 H231 M234F186-L194 HydrophobicContact CE1-CD1 4.3Å; D190-L194 WeakPolarHBondContact O-CD1 3.49Å; D190-L194 PolarHBondContact O-N 3.1Å; L191-L194 PolarHBondContact O-N 3.48Å; L191-L194 VanDerWaalsContact O-N 3.13Å; L192-L194 VanDerWaalsContact C-N 3.34Å; L194-H231 HydrophobicContact CD2-CB 4.26Å; L194-M234 HydrophobicContact CB-CE 3.7Å; L194-M234 HydrophobicContact CD2-CE 3.23Å; L194-M234 HydrophobicContact CG-CE 3.97Å
195F87.1Confident86.5Confident1 Ų180.6 Ų80.60%0.00439%0.392CS..THydrogen-bonded Turntrans-101.322177.8-63.6-72.1000114.1I179 L191 L192 C197 Y198 Q199 F203 A226 H231 M234 L236I179-F195 HydrophobicContact CD1-CD2 4.37Å; I179-F195 HydrophobicContact CD1-CE2 3.69Å; I179-F195 HydrophobicContact CD1-CZ 4.23Å; L191-F195 WeakPolarHBondContact O-CD2 3.36Å; L191-F195 PolarHBondContact O-N 3.2Å; L192-F195 CarbonylContact O-C 3.59Å; L192-F195 PolarHBondContact O-N 3.19Å; F195-C197 PolarHBondContact O-N 3.11Å; F195-C197 VanDerWaalsContact O-N 3.09Å; F195-Y198 HydrophobicContact CB-CD2 4.12Å; F195-Y198 AromaticContact CD1-CD2 3.77Å; F195-Y198 HydrophobicContact CD1-CD2 3.77Å; F195-Y198 HydrophobicContact CD1-CE2 4Å; F195-Y198 HydrophobicContact CG-CD2 4.45Å; F195-Y198 WeakPolarHBondContact O-CA 3.5Å; F195-Y198 PolarHBondContact O-N 3.09Å; F195-Q199 PolarHBondContact O-N 2.85Å; F195-F203 HydrophobicContact CB-CD1 3.69Å; F195-F203 HydrophobicContact CB-CE1 3.33Å; F195-F203 HydrophobicContact CB-CG 4.41Å; F195-F203 HydrophobicContact CB-CZ 3.8Å; F195-F203 HydrophobicContact CD1-CZ 4.35Å; F195-F203 AromaticContact CD2-CE1 3.75Å; F195-F203 HydrophobicContact CD2-CE1 3.75Å; F195-F203 AromaticContact CD2-CZ 3.6Å; F195-F203 HydrophobicContact CD2-CZ 3.6Å; F195-F203 HydrophobicContact CE2-CZ 4.38Å; F195-F203 HydrophobicContact CG-CD1 4.44Å; F195-F203 AromaticContact CG-CE1 3.68Å; F195-F203 HydrophobicContact CG-CE1 3.68Å; F195-F203 HydrophobicContact CG-CE2 4.36Å; F195-F203 AromaticContact CG-CZ 3.64Å; F195-F203 HydrophobicContact CG-CZ 3.64Å; F195-A226 HydrophobicContact CE1-CB 4.35Å; F195-H231 AromaticContact CE1-NE2 3.54Å; F195-H231 AromaticContact CZ-NE2 3.74Å; F195-M234 HydrophobicContact CE2-CE 3.67Å; F195-M234 HydrophobicContact CE2-SD 3.82Å; F195-M234 HydrophobicContact CZ-CE 4.07Å; F195-M234 HydrophobicContact CZ-SD 3.84Å; F195-L236 HydrophobicContact CE1-CD1 3.86Å; F195-L236 HydrophobicContact CE1-CD2 4.45Å; F195-L236 HydrophobicContact CZ-CD1 3.88Å; F195-L236 HydrophobicContact CZ-CD2 3.81Å; F195-L236 HydrophobicContact CZ-CG 4.36Å
196Q86.8Confident86.6Confident126 Ų12675.4 Ų75.459%0.58937%0.367SS*.Hα-helixtrans-57.2-32.5-175.5-169175.821.700113.1L192 Y198 Q199L192-Q196 WeakPolarHBondContact O-CA 3.47Å; L192-Q196 PolarHBondContact O-N 2.54Å; Q196-Y198 PolarHBondContact O-N 3.18Å; Q196-Q199 WeakPolarHBondContact O-CB 3.2Å; Q196-Q199 PolarHBondContact O-N 3.27Å
197C84.5Confident86.7Confident105 Ų10577.8 Ų77.871%0.70938%0.375SS*.Hα-helixtrans-61.3-28.1175.3-60.20000113.2F195F195-C197 PolarHBondContact O-N 3.11Å; F195-C197 VanDerWaalsContact O-N 3.09Å
198Y84.1Confident86.6Confident14 Ų1473 Ų736%0.05536%0.356CS..Hα-helixtrans-97.4-16.3-178.9-52.4-75000112.7F195 Q196 Q200 R201 G202 F203 F217 A222 E225 A226F195-Y198 HydrophobicContact CB-CD2 4.12Å; F195-Y198 AromaticContact CD1-CD2 3.77Å; F195-Y198 HydrophobicContact CD1-CD2 3.77Å; F195-Y198 HydrophobicContact CD1-CE2 4Å; F195-Y198 HydrophobicContact CG-CD2 4.45Å; F195-Y198 WeakPolarHBondContact O-CA 3.5Å; F195-Y198 PolarHBondContact O-N 3.09Å; Q196-Y198 PolarHBondContact O-N 3.18Å; Y198-Q200 VanDerWaalsContact C-N 3.28Å; Y198-Q200 PolarHBondContact O-N 3.29Å; Y198-R201 CarbonylContact O-C 3.57Å; Y198-R201 WeakPolarHBondContact O-CA 3.23Å; Y198-R201 WeakPolarHBondContact O-CB 3.36Å; Y198-R201 PolarHBondContact O-N 3.47Å; Y198-G202 PolarHBondContact O-N 3.12Å; Y198-F203 WeakPolarHBondContact O-CB 3.49Å; Y198-F203 PolarHBondContact O-N 3.25Å; Y198-F217 HydrophobicContact CD1-CE1 4.25Å; Y198-F217 HydrophobicContact CD2-CE1 4.23Å; Y198-F217 HydrophobicContact CG-CD1 4.45Å; Y198-F217 AromaticContact CG-CE1 3.92Å; Y198-F217 HydrophobicContact CG-CE1 3.92Å; Y198-A222 HydrophobicContact CD1-CB 4.37Å; Y198-E225 HydrophobicContact CE1-CB 4.19Å; Y198-E225 HydrophobicContact CE1-CG 4.22Å; Y198-A226 HydrophobicContact CE2-CB 4.03Å; Y198-A226 WeakPolarHBondContact OH-CA 3.38Å; Y198-A226 PolarHBondContact OH-N 3Å
199Q81.1Confident86.7Confident90 Ų9072.4 Ų72.442%0.42136%0.355SS..Hα-helixtrans-57.8-40.5177-169177.50.600112.2L192 F195 Q196 R201 G202L192-Q199 HydrophobicContact CD1-CB 4.42Å; L192-Q199 HydrophobicContact CD1-CG 4.01Å; F195-Q199 PolarHBondContact O-N 2.85Å; Q196-Q199 WeakPolarHBondContact O-CB 3.2Å; Q196-Q199 PolarHBondContact O-N 3.27Å; Q199-R201 PolarHBondContact O-N 3.3Å; Q199-G202 PolarHBondContact O-N 2.87Å; Q199-G202 VanDerWaalsContact O-N 3.12Å
200Q78.4Confident86.6Confident182 Ų18271.7 Ų71.785%0.8536%0.355SS*.THydrogen-bonded Turntrans-65.7-21.1174.8-63.8-70.932.300113.3Y198Y198-Q200 VanDerWaalsContact C-N 3.28Å; Y198-Q200 PolarHBondContact O-N 3.29Å
201R77.5Confident86.6Confident135 Ų13571.5 Ų71.551%0.50936%0.357SS..THydrogen-bonded Turntrans-92.32.6177.7-62.2-173.5-179.6170.24.3112.3Y198 Q199 S218 E225Y198-R201 CarbonylContact O-C 3.57Å; Y198-R201 WeakPolarHBondContact O-CA 3.23Å; Y198-R201 WeakPolarHBondContact O-CB 3.36Å; Y198-R201 PolarHBondContact O-N 3.47Å; Q199-R201 PolarHBondContact O-N 3.3Å; R201-S218 WeakPolarHBondContact O-CB 3.12Å; R201-S218 PolarHBondContact O-OG 3.42Å; R201-E225 IonicContact CZ-OE2 2.67Å; R201-E225 IonicContact NH1-OE2 3.52Å; R201-E225 PolarHBondContact NH1-OE2 3.26Å
202G80.1Confident86.7Confident47 Ų4773.7 Ų73.749%0.48537%0.367SS..  trans83.468.9-17700000111.6Y198 Q199 S218Y198-G202 PolarHBondContact O-N 3.12Å; Q199-G202 PolarHBondContact O-N 2.87Å; Q199-G202 VanDerWaalsContact O-N 3.12Å; G202-S218 PolarHBondContact O-N 3.37Å; G202-S218 VanDerWaalsContact O-N 3.11Å
203F87.8Confident86.9Confident17 Ų1771.1 Ų71.18%0.07535%0.354CS..EExtended strand (participates in β ladder)trans-105.7130.8173.7174.1-109.2000109.6I179 L192 F195 Y198 I205 L216 F217I179-F203 HydrophobicContact CD1-CZ 4.48Å; L192-F203 HydrophobicContact CD1-CD1 4.37Å; F195-F203 HydrophobicContact CB-CD1 3.69Å; F195-F203 HydrophobicContact CB-CE1 3.33Å; F195-F203 HydrophobicContact CB-CG 4.41Å; F195-F203 HydrophobicContact CB-CZ 3.8Å; F195-F203 HydrophobicContact CD1-CZ 4.35Å; F195-F203 AromaticContact CD2-CE1 3.75Å; F195-F203 HydrophobicContact CD2-CE1 3.75Å; F195-F203 AromaticContact CD2-CZ 3.6Å; F195-F203 HydrophobicContact CD2-CZ 3.6Å; F195-F203 HydrophobicContact CE2-CZ 4.38Å; F195-F203 HydrophobicContact CG-CD1 4.44Å; F195-F203 AromaticContact CG-CE1 3.68Å; F195-F203 HydrophobicContact CG-CE1 3.68Å; F195-F203 HydrophobicContact CG-CE2 4.36Å; F195-F203 AromaticContact CG-CZ 3.64Å; F195-F203 HydrophobicContact CG-CZ 3.64Å; Y198-F203 WeakPolarHBondContact O-CB 3.49Å; Y198-F203 PolarHBondContact O-N 3.25Å; F203-I205 HydrophobicContact CD1-CG1 4.21Å; F203-I205 HydrophobicContact CE1-CD1 3.61Å; F203-I205 HydrophobicContact CE1-CG1 3.34Å; F203-I205 HydrophobicContact CZ-CD1 4.18Å; F203-I205 HydrophobicContact CZ-CG1 3.56Å; F203-L216 WeakPolarHBondContact CA-O 2.93Å; F203-L216 WeakPolarHBondContact CD2-O 3.43Å; F203-F217 AromaticContact CD2-CD1 3.76Å; F203-F217 HydrophobicContact CD2-CD1 3.76Å; F203-F217 HydrophobicContact CD2-CD2 4.31Å; F203-F217 AromaticContact CD2-CE1 3.54Å; F203-F217 HydrophobicContact CD2-CE1 3.54Å; F203-F217 HydrophobicContact CD2-CE2 4.1Å; F203-F217 HydrophobicContact CD2-CG 4.15Å; F203-F217 AromaticContact CD2-CZ 3.72Å; F203-F217 HydrophobicContact CD2-CZ 3.72Å; F203-F217 HydrophobicContact CE2-CD1 4.31Å; F203-F217 HydrophobicContact CE2-CD2 4.31Å; F203-F217 AromaticContact CE2-CE1 3.74Å; F203-F217 HydrophobicContact CE2-CE1 3.74Å; F203-F217 AromaticContact CE2-CE2 3.72Å; F203-F217 HydrophobicContact CE2-CE2 3.72Å; F203-F217 AromaticContact CE2-CZ 3.41Å; F203-F217 HydrophobicContact CE2-CZ 3.41Å; F203-F217 VanDerWaalsContact CE2-CZ 3.41Å; F203-F217 HydrophobicContact CZ-CZ 4.43Å
204D88.5Confident87Confident73 Ų7363.6 Ų63.639%0.3933%0.325SS..EExtended strand (participates in β ladder)trans-126.2150.8177.2-167.422.5000110.4L216 Y257D204-L216 HydrophobicContact CB-CB 4.26Å; D204-L216 PolarHBondContact N-O 3.21Å; D204-L216 PolarHBondContact O-N 3.2Å; D204-Y257 WeakPolarHBondContact OD2-CE1 3.38Å; D204-Y257 PolarHBondContact OD2-OH 3.45Å
205I89.8Confident87.2Confident13 Ų1360.7 Ų60.77%0.06731%0.31CS..EExtended strand (participates in β ladder)trans-122.9126.2-177.2-59.7160.4000109.8L191 L192 F203 A213 L214L191-I205 HydrophobicContact CB-CD1 3.6Å; L191-I205 HydrophobicContact CD1-CG2 4.09Å; L192-I205 HydrophobicContact CB-CD1 4.36Å; F203-I205 HydrophobicContact CD1-CG1 4.21Å; F203-I205 HydrophobicContact CE1-CD1 3.61Å; F203-I205 HydrophobicContact CE1-CG1 3.34Å; F203-I205 HydrophobicContact CZ-CD1 4.18Å; F203-I205 HydrophobicContact CZ-CG1 3.56Å; I205-A213 HydrophobicContact CG2-CB 4.15Å; I205-L214 CarbonylContact C-O 3.55Å; I205-L214 WeakPolarHBondContact CA-O 3.48Å
206K90.6Very high87.3Confident60 Ų6061.2 Ų61.226%0.26131%0.313SS..EExtended strand (participates in β ladder)trans-115.5119173.1-171.2152.1175.1-178.70111L214 L216 C253 D256 Y257K206-L214 HydrophobicContact CB-CB 4.31Å; K206-L214 PolarHBondContact N-O 3.36Å; K206-L214 PolarHBondContact O-N 2.88Å; K206-L216 HydrophobicContact CB-CD1 4.28Å; K206-C253 HydrophobicContact CD-CB 4.05Å; K206-C253 WeakPolarHBondContact CD-SG 3.26Å; K206-C253 WeakPolarHBondContact CE-SG 3.37Å; K206-C253 PolarHBondContact NZ-SG 3.46Å; K206-D256 IonicContact NZ-OD2 3.4Å; K206-D256 PolarHBondContact NZ-OD2 3.36Å; K206-Y257 HydrophobicContact CD-CE2 4.42Å
207W91.1Very high87.4Confident79 Ų7955.7 Ų55.730%0.29929%0.287SS..EExtended strand (participates in β ladder)trans-73.9139.1178.8-74.482.8000111.2F182 F186 L191F182-W207 AromaticContact CE2-CH2 3.52Å; F182-W207 HydrophobicContact CE2-CH2 3.52Å; F182-W207 AromaticContact CE2-CZ3 3.45Å; F182-W207 HydrophobicContact CE2-CZ3 3.45Å; F182-W207 VanDerWaalsContact CE2-CZ3 3.45Å; F182-W207 HydrophobicContact CZ-CE3 4.29Å; F182-W207 AromaticContact CZ-CH2 3.77Å; F182-W207 HydrophobicContact CZ-CH2 3.77Å; F182-W207 AromaticContact CZ-CZ3 3.49Å; F182-W207 HydrophobicContact CZ-CZ3 3.49Å; F182-W207 VanDerWaalsContact CZ-CZ3 3.49Å; F186-W207 WeakPolarHBondContact O-CH2 3.42Å; L191-W207 HydrophobicContact CD1-CH2 3.95Å; L191-W207 HydrophobicContact CD1-CZ2 3.52Å; L191-W207 HydrophobicContact CG-CZ2 4.34Å
208I88.1Confident87.6Confident38 Ų3854.4 Ų54.420%0.19528%0.28CS..EExtended strand (participates in β ladder)trans-109.6-54.7171.2-62.7166000108.8H212 L214 T246 K249I208-H212 HydrophobicContact CB-CB 4.22Å; I208-H212 PolarHBondContact N-O 2.8Å; I208-L214 HydrophobicContact CD1-CD1 3.81Å; I208-L214 HydrophobicContact CD1-CD2 4.01Å; I208-L214 HydrophobicContact CD1-CG 3.5Å; I208-L214 HydrophobicContact CG1-CD1 4.22Å; I208-L214 HydrophobicContact CG1-CG 4.15Å; I208-T246 HydrophobicContact CD1-CG2 3.33Å; I208-K249 HydrophobicContact CD1-CB 4.45Å; I208-K249 HydrophobicContact CG1-CB 4.42Å; I208-K249 HydrophobicContact CG2-CG 4.49Å
209D89.4Confident87.7Confident90 Ų9055.7 Ų55.748%0.48129%0.29SS..EExtended strand (participates in β ladder)trans-141.1171.2179.6-58.8-39.9000109.5S211 H212D209-S211 PolarHBondContact O-N 3.31Å; D209-H212 HydrophobicContact CB-CB 4.15Å; D209-H212 PolarHBondContact N-O 3.44Å; D209-H212 CarbonylContact O-C 3.6Å; D209-H212 PolarHBondContact O-N 3.22Å; D209-H212 VanDerWaalsContact O-N 3.09Å; D209-H212 IonicContact OD2-ND1 3.8Å; D209-H212 PolarHBondContact OD2-ND1 3.2Å
210D89.8Confident88Confident116 Ų11654 Ų5462%0.6229%0.287SS*.THydrogen-bonded Turntrans-61.3-12177.3-60.2-16.8000114.5F182 T184F182-D210 WeakPolarHBondContact CE2-O 3.37Å; T184-D210 HydrophobicContact CG2-CB 4.03Å
211S90Very high88.6Confident40 Ų4049.3 Ų49.328%0.2827%0.271SS..THydrogen-bonded Turntrans-126.33.4177580000114Y180 D181 F182 D209Y180-S211 WeakPolarHBondContact CA-O 3.41Å; D181-S211 PolarHBondContact N-O 2.84Å; F182-S211 WeakPolarHBondContact CE1-O 3.12Å; F182-S211 VanDerWaalsContact CZ-C 3.5Å; D209-S211 PolarHBondContact O-N 3.31Å
212H91.4Very high89.1Confident47 Ų4743.1 Ų43.122%0.21825%0.248CC..EExtended strand (participates in β ladder)trans-134.9125.8-178.6-61.695.1000110.8E178 I179 I208 D209E178-H212 IonicContact OE1-CD2 2.85Å; I179-H212 WeakPolarHBondContact O-CA 3.46Å; I208-H212 HydrophobicContact CB-CB 4.22Å; I208-H212 PolarHBondContact N-O 2.8Å; D209-H212 HydrophobicContact CB-CB 4.15Å; D209-H212 PolarHBondContact N-O 3.44Å; D209-H212 CarbonylContact O-C 3.6Å; D209-H212 PolarHBondContact O-N 3.22Å; D209-H212 VanDerWaalsContact O-N 3.09Å; D209-H212 IonicContact OD2-ND1 3.8Å; D209-H212 PolarHBondContact OD2-ND1 3.2Å
213A92.2Very high89.6Confident0 Ų040.9 Ų40.90%023%0.225CC..EExtended strand (participates in β ladder)trans-136.8153.9174.900000110.9I179 F182 L191 I205I179-A213 HydrophobicContact CB-CB 4.34Å; I179-A213 PolarHBondContact N-O 2.7Å; I179-A213 PolarHBondContact O-N 2.6Å; F182-A213 HydrophobicContact CE1-CB 4.14Å; F182-A213 HydrophobicContact CZ-CB 4.16Å; L191-A213 HydrophobicContact CD1-CB 4Å; I205-A213 HydrophobicContact CG2-CB 4.15Å
214L91.3Very high89.8Confident1 Ų147.3 Ų47.31%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-100.3124.5170.8-67.9170.7000108.8I176 E178 I205 K206 I208 L216 L239 T246 A250I176-L214 HydrophobicContact CG2-CB 4.4Å; I176-L214 HydrophobicContact CG2-CD2 3.92Å; E178-L214 HydrophobicContact CB-CD2 4.46Å; I205-L214 CarbonylContact C-O 3.55Å; I205-L214 WeakPolarHBondContact CA-O 3.48Å; K206-L214 HydrophobicContact CB-CB 4.31Å; K206-L214 PolarHBondContact N-O 3.36Å; K206-L214 PolarHBondContact O-N 2.88Å; I208-L214 HydrophobicContact CD1-CD1 3.81Å; I208-L214 HydrophobicContact CD1-CD2 4.01Å; I208-L214 HydrophobicContact CD1-CG 3.5Å; I208-L214 HydrophobicContact CG1-CD1 4.22Å; I208-L214 HydrophobicContact CG1-CG 4.15Å; L214-L216 HydrophobicContact CB-CD1 4.05Å; L214-L239 HydrophobicContact CD2-CD1 4.3Å; L214-T246 HydrophobicContact CD2-CG2 3.6Å; L214-T246 HydrophobicContact CG-CG2 4.38Å; L214-A250 HydrophobicContact CD1-CB 3.9Å; L214-A250 HydrophobicContact CD2-CB 4.16Å
215G91Very high89.9Confident0 Ų047.7 Ų47.70%025%0.249CC..EExtended strand (participates in β ladder)trans-92.9115.4165.800000109.7V177 F217V177-G215 PolarHBondContact N-O 3.1Å; V177-G215 PolarHBondContact O-N 3.19Å; G215-F217 WeakPolarHBondContact O-CD2 3.39Å
216L90.1Very high89.9Confident12 Ų1247.1 Ų47.16%0.06325%0.246CC..EExtended strand (participates in β ladder)trans-93.6119.1173.6-80.276.7000108.8I176 F203 D204 K206 L214 Y257I176-L216 HydrophobicContact CG1-CG 4.39Å; F203-L216 WeakPolarHBondContact CA-O 2.93Å; F203-L216 WeakPolarHBondContact CD2-O 3.43Å; D204-L216 HydrophobicContact CB-CB 4.26Å; D204-L216 PolarHBondContact N-O 3.21Å; D204-L216 PolarHBondContact O-N 3.2Å; K206-L216 HydrophobicContact CB-CD1 4.28Å; L214-L216 HydrophobicContact CB-CD1 4.05Å; L216-Y257 HydrophobicContact CD2-CD1 4.21Å; L216-Y257 HydrophobicContact CD2-CD2 3.22Å; L216-Y257 HydrophobicContact CD2-CE1 4.19Å; L216-Y257 HydrophobicContact CD2-CE2 3.29Å; L216-Y257 HydrophobicContact CD2-CG 3.76Å
217F89.3Confident89.9Confident10 Ų1046.7 Ų46.74%0.04425%0.246CC..EExtended strand (participates in β ladder)trans-103.1144.6175.5-62.4-95.6000109.7H175 V177 Y198 F203 G215 S219 A222 A223 A226H175-F217 WeakPolarHBondContact CB-O 3.39Å; H175-F217 PolarHBondContact CD2-O 3.11Å; H175-F217 WeakPolarHBondContact O-CB 3.36Å; H175-F217 WeakPolarHBondContact O-CD2 3.36Å; H175-F217 PolarHBondContact O-N 3.1Å; V177-F217 HydrophobicContact CB-CD2 4.42Å; V177-F217 HydrophobicContact CB-CE2 3.81Å; V177-F217 HydrophobicContact CG2-CD2 3.92Å; V177-F217 HydrophobicContact CG2-CE2 3.61Å; Y198-F217 HydrophobicContact CD1-CE1 4.25Å; Y198-F217 HydrophobicContact CD2-CE1 4.23Å; Y198-F217 HydrophobicContact CG-CD1 4.45Å; Y198-F217 AromaticContact CG-CE1 3.92Å; Y198-F217 HydrophobicContact CG-CE1 3.92Å; F203-F217 AromaticContact CD2-CD1 3.76Å; F203-F217 HydrophobicContact CD2-CD1 3.76Å; F203-F217 HydrophobicContact CD2-CD2 4.31Å; F203-F217 AromaticContact CD2-CE1 3.54Å; F203-F217 HydrophobicContact CD2-CE1 3.54Å; F203-F217 HydrophobicContact CD2-CE2 4.1Å; F203-F217 HydrophobicContact CD2-CG 4.15Å; F203-F217 AromaticContact CD2-CZ 3.72Å; F203-F217 HydrophobicContact CD2-CZ 3.72Å; F203-F217 HydrophobicContact CE2-CD1 4.31Å; F203-F217 HydrophobicContact CE2-CD2 4.31Å; F203-F217 AromaticContact CE2-CE1 3.74Å; F203-F217 HydrophobicContact CE2-CE1 3.74Å; F203-F217 AromaticContact CE2-CE2 3.72Å; F203-F217 HydrophobicContact CE2-CE2 3.72Å; F203-F217 AromaticContact CE2-CZ 3.41Å; F203-F217 HydrophobicContact CE2-CZ 3.41Å; F203-F217 VanDerWaalsContact CE2-CZ 3.41Å; F203-F217 HydrophobicContact CZ-CZ 4.43Å; G215-F217 WeakPolarHBondContact O-CD2 3.39Å; F217-S219 PolarHBondContact O-N 3.02Å; F217-A222 HydrophobicContact CB-CB 4.33Å; F217-A222 HydrophobicContact CD1-CB 4.04Å; F217-A223 HydrophobicContact CB-CB 4.16Å; F217-A223 HydrophobicContact CD2-CB 3.81Å; F217-A223 HydrophobicContact CE2-CB 4.47Å; F217-A223 HydrophobicContact CG-CB 4.01Å; F217-A226 HydrophobicContact CE1-CB 3.68Å; F217-A226 HydrophobicContact CE2-CB 4.36Å; F217-A226 HydrophobicContact CZ-CB 3.46Å; F217-A226 VanDerWaalsContact CZ-CB 3.46Å
218S87.4Confident89.8Confident79 Ų7953 Ų5355%0.55227%0.27SS*.SBendtrans-63.5-17.5172.762.50000114.6R201 G202R201-S218 WeakPolarHBondContact O-CB 3.12Å; R201-S218 PolarHBondContact O-OG 3.42Å; G202-S218 PolarHBondContact O-N 3.37Å; G202-S218 VanDerWaalsContact O-N 3.11Å
219S87.1Confident89.8Confident40 Ų4053.7 Ų53.728%0.2828%0.276SS..SBendtrans-146.2140.5-176.3177.50000111.3F217 V221 A222 A223F217-S219 PolarHBondContact O-N 3.02Å; S219-V221 PolarHBondContact O-N 2.6Å; S219-V221 PolarHBondContact OG-N 2.77Å; S219-A222 PolarHBondContact O-N 2.7Å; S219-A222 VanDerWaalsContact O-N 3.1Å; S219-A223 PolarHBondContact O-N 2.87Å
220P88.2Confident89.6Confident55 Ų5558.8 Ų58.836%0.35729%0.294SS..Hα-helixtrans-64.1-20.5174.127.5-35.8000112.8H175 R224H175-P220 HydrophobicContact CB-CB 4.49Å; P220-R224 WeakPolarHBondContact O-CG 3.48Å; P220-R224 PolarHBondContact O-N 3.1Å; P220-R224 VanDerWaalsContact O-N 3.16Å; P220-R224 PolarHBondContact O-NE 2.99Å
221V89.1Confident89.3Confident83 Ų8355.1 Ų55.150%0.50327%0.273SS..Hα-helixtrans-68.9-43.3173.5-174.10000110.7S219 R224 E225S219-V221 PolarHBondContact O-N 2.6Å; S219-V221 PolarHBondContact OG-N 2.77Å; V221-R224 PolarHBondContact O-N 2.8Å; V221-E225 PolarHBondContact O-N 3.19Å
222A90Very high89.1Confident5 Ų559.3 Ų59.34%0.04130%0.299CS..Hα-helixtrans-67-39.2178.200000111.6Y198 F217 S219 R224 E225 A226Y198-A222 HydrophobicContact CD1-CB 4.37Å; F217-A222 HydrophobicContact CB-CB 4.33Å; F217-A222 HydrophobicContact CD1-CB 4.04Å; S219-A222 PolarHBondContact O-N 2.7Å; S219-A222 VanDerWaalsContact O-N 3.1Å; A222-R224 PolarHBondContact O-N 3.22Å; A222-E225 WeakPolarHBondContact O-CB 3.19Å; A222-E225 PolarHBondContact O-N 3.22Å; A222-A226 PolarHBondContact O-N 2.67Å
223A90.2Very high88.8Confident0 Ų062 Ų620%031%0.314CS..Hα-helixtrans-58.1-46.3173.500000112.2S174 V177 F217 S219 E225 A226 L227S174-A223 WeakPolarHBondContact O-CB 3.36Å; V177-A223 HydrophobicContact CG2-CB 3.64Å; F217-A223 HydrophobicContact CB-CB 4.16Å; F217-A223 HydrophobicContact CD2-CB 3.81Å; F217-A223 HydrophobicContact CE2-CB 4.47Å; F217-A223 HydrophobicContact CG-CB 4.01Å; S219-A223 PolarHBondContact O-N 2.87Å; A223-E225 VanDerWaalsContact C-N 3.35Å; A223-E225 PolarHBondContact O-N 3.13Å; A223-A226 PolarHBondContact O-N 2.94Å; A223-L227 WeakPolarHBondContact O-CG 3.4Å; A223-L227 PolarHBondContact O-N 2.94Å
224R90.6Very high88.7Confident152 Ų15262.3 Ų62.357%0.57432%0.316SS*.Hα-helixtrans-65.5-35.7175.8-71.6-177.6-58.8140.8-0.1113P220 V221 A222 L227 R228P220-R224 WeakPolarHBondContact O-CG 3.48Å; P220-R224 PolarHBondContact O-N 3.1Å; P220-R224 VanDerWaalsContact O-N 3.16Å; P220-R224 PolarHBondContact O-NE 2.99Å; V221-R224 PolarHBondContact O-N 2.8Å; A222-R224 PolarHBondContact O-N 3.22Å; R224-L227 PolarHBondContact O-N 2.93Å; R224-R228 WeakPolarHBondContact O-CG 3.34Å; R224-R228 PolarHBondContact O-N 3.1Å
225E90.9Very high88.8Confident82 Ų8267.1 Ų67.138%0.38334%0.337SS..Hα-helixtrans-63.1-45.6174.1-166.5-179.5176.100110.8Y198 R201 V221 A222 A223 L227 R228 T229Y198-E225 HydrophobicContact CE1-CB 4.19Å; Y198-E225 HydrophobicContact CE1-CG 4.22Å; R201-E225 IonicContact CZ-OE2 2.67Å; R201-E225 IonicContact NH1-OE2 3.52Å; R201-E225 PolarHBondContact NH1-OE2 3.26Å; V221-E225 PolarHBondContact O-N 3.19Å; A222-E225 WeakPolarHBondContact O-CB 3.19Å; A222-E225 PolarHBondContact O-N 3.22Å; A223-E225 VanDerWaalsContact C-N 3.35Å; A223-E225 PolarHBondContact O-N 3.13Å; E225-L227 VanDerWaalsContact C-N 3.34Å; E225-L227 PolarHBondContact O-N 2.84Å; E225-R228 WeakPolarHBondContact O-CB 3.44Å; E225-R228 PolarHBondContact O-N 2.66Å; E225-T229 PolarHBondContact O-N 3.09Å; E225-T229 VanDerWaalsContact O-N 3.14Å
226A90.2Very high88.8Confident0 Ų068.5 Ų68.50%034%0.344CS..Hα-helixtrans-61.4-40.1176.200000112.4F195 Y198 F217 A222 A223 R228 T229 L236F195-A226 HydrophobicContact CE1-CB 4.35Å; Y198-A226 HydrophobicContact CE2-CB 4.03Å; Y198-A226 WeakPolarHBondContact OH-CA 3.38Å; Y198-A226 PolarHBondContact OH-N 3Å; F217-A226 HydrophobicContact CE1-CB 3.68Å; F217-A226 HydrophobicContact CE2-CB 4.36Å; F217-A226 HydrophobicContact CZ-CB 3.46Å; F217-A226 VanDerWaalsContact CZ-CB 3.46Å; A222-A226 PolarHBondContact O-N 2.67Å; A223-A226 PolarHBondContact O-N 2.94Å; A226-R228 PolarHBondContact O-N 3.21Å; A226-T229 WeakPolarHBondContact CA-OG1 3.42Å; A226-T229 PolarHBondContact O-N 3.29Å; A226-T229 VanDerWaalsContact O-N 3.09Å; A226-T229 VanDerWaalsContact O-O 3.1Å; A226-T229 PolarHBondContact O-OG1 3.2Å; A226-L236 HydrophobicContact CB-CD1 4.48Å; A226-L236 WeakPolarHBondContact O-CD1 3.2Å
227L90.4Very high88.9Confident52 Ų5270.4 Ų70.427%0.27235%0.351SS..Hα-helixtrans-62.6-27.2174.5-75.2165.9000113.6V177 A223 R224 E225 L236 P238V177-L227 HydrophobicContact CG1-CD2 3.7Å; V177-L227 HydrophobicContact CG1-CG 4.09Å; V177-L227 HydrophobicContact CG2-CD1 4.32Å; V177-L227 HydrophobicContact CG2-CG 4.24Å; A223-L227 WeakPolarHBondContact O-CG 3.4Å; A223-L227 PolarHBondContact O-N 2.94Å; R224-L227 PolarHBondContact O-N 2.93Å; E225-L227 VanDerWaalsContact C-N 3.34Å; E225-L227 PolarHBondContact O-N 2.84Å; L227-L236 HydrophobicContact CD2-CB 3.85Å; L227-P238 HydrophobicContact CD1-CB 4.32Å; L227-P238 HydrophobicContact CD1-CG 3.78Å; L227-P238 HydrophobicContact CD2-CG 4.24Å
228R89.9Confident89Confident211 Ų21172.5 Ų72.580%0.79637%0.365SS*.Hα-helixtrans-80.2-27.4175.5-67.8171.268.3172.42.9111.9R224 E225 A226R224-R228 WeakPolarHBondContact O-CG 3.34Å; R224-R228 PolarHBondContact O-N 3.1Å; E225-R228 WeakPolarHBondContact O-CB 3.44Å; E225-R228 PolarHBondContact O-N 2.66Å; A226-R228 PolarHBondContact O-N 3.21Å
229T87.8Confident89Confident53 Ų5369 Ų6933%0.32534%0.34SS..SBendtrans-73126.2173.855.40000110.3E225 A226E225-T229 PolarHBondContact O-N 3.09Å; E225-T229 VanDerWaalsContact O-N 3.14Å; A226-T229 WeakPolarHBondContact CA-OG1 3.42Å; A226-T229 PolarHBondContact O-N 3.29Å; A226-T229 VanDerWaalsContact O-N 3.09Å; A226-T229 VanDerWaalsContact O-O 3.1Å; A226-T229 PolarHBondContact O-OG1 3.2Å
230K84.2Confident88.9Confident196 Ų19670.1 Ų70.185%0.85235%0.348SS*.  trans-97.7127.1179.8-64.7-177.2-179.2-179.50109.4
231H84.6Confident88.8Confident39 Ų3975.1 Ų75.118%0.18136%0.364CS..BIsolated β-bridgetrans-106.2133.5174.2-61.3-70.5000109.5L194 F195 L233 M234L194-H231 HydrophobicContact CD2-CB 4.26Å; F195-H231 AromaticContact CE1-NE2 3.54Å; F195-H231 AromaticContact CZ-NE2 3.74Å; H231-L233 VanDerWaalsContact C-N 3.3Å; H231-L233 PolarHBondContact O-N 2.76Å; H231-M234 HydrophobicContact CB-CG 3.52Å
232P85.1Confident88.6Confident128 Ų12871.7 Ų71.783%0.83134%0.344SS*.THydrogen-bonded Turntrans-68.2-25.2-178.6-24.434.9000115
233L85.8Confident88.5Confident103 Ų10374.3 Ų74.354%0.53936%0.362SS..THydrogen-bonded Turntrans-1104.7-171.7-60.4177.3000113.7F182 P183 F186 H231F182-L233 WeakPolarHBondContact CA-O 3.33Å; P183-L233 WeakPolarHBondContact CD-O 3.02Å; F186-L233 HydrophobicContact CE2-CB 4.42Å; F186-L233 HydrophobicContact CE2-CD1 4.3Å; F186-L233 HydrophobicContact CZ-CB 4.18Å; F186-L233 HydrophobicContact CZ-CD1 4.2Å; H231-L233 VanDerWaalsContact C-N 3.3Å; H231-L233 PolarHBondContact O-N 2.76Å
234M90.1Very high88.3Confident7 Ų780 Ų803%0.03439%0.392CS..BIsolated β-bridgetrans-156.516117971.2163.9105.500110.7I179 F182 F186 L191 L194 F195 H231 L236I179-M234 HydrophobicContact CG2-CB 4.4Å; I179-M234 HydrophobicContact CG2-CG 4.38Å; I179-M234 HydrophobicContact CG2-SD 3.26Å; I179-M234 WeakPolarHBondContact CG2-SD 3.03Å; F182-M234 HydrophobicContact CB-CB 3.8Å; F186-M234 HydrophobicContact CE1-CE 4.45Å; L191-M234 HydrophobicContact CD2-CE 3.63Å; L191-M234 HydrophobicContact CD2-SD 4.12Å; L194-M234 HydrophobicContact CB-CE 3.7Å; L194-M234 HydrophobicContact CD2-CE 3.23Å; L194-M234 HydrophobicContact CG-CE 3.97Å; F195-M234 HydrophobicContact CE2-CE 3.67Å; F195-M234 HydrophobicContact CE2-SD 3.82Å; F195-M234 HydrophobicContact CZ-CE 4.07Å; F195-M234 HydrophobicContact CZ-SD 3.84Å; H231-M234 HydrophobicContact CB-CG 3.52Å; M234-L236 HydrophobicContact SD-CD2 4.4Å
235K92Very high88.1Confident103 Ų10375.9 Ų75.945%0.44839%0.39SS..EExtended strand (participates in β ladder)trans-119.3147.7174.5-65.9172.4-176.7150.10110.6Y180 D181Y180-K235 HydrophobicContact CD1-CB 3.88Å; Y180-K235 VanDerWaalsContact CD1-O 3.3Å; Y180-K235 WeakPolarHBondContact CD1-O 3.42Å; Y180-K235 HydrophobicContact CD2-CB 4.31Å; Y180-K235 HydrophobicContact CE1-CB 3.37Å; Y180-K235 HydrophobicContact CE2-CB 3.87Å; Y180-K235 HydrophobicContact CE2-CD 3.89Å; Y180-K235 HydrophobicContact CG-CB 4.32Å; Y180-K235 PolarHBondContact N-O 3.04Å; Y180-K235 PolarHBondContact O-N 2.99Å; D181-K235 HydrophobicContact CB-CD 4.19Å; D181-K235 HydrophobicContact CB-CG 4.47Å; D181-K235 WeakPolarHBondContact OD2-CD 3.39Å; D181-K235 VanDerWaalsContact OD2-CE 3.28Å; D181-K235 WeakPolarHBondContact OD2-CE 3.47Å; D181-K235 IonicContact OD2-NZ 3.07Å; D181-K235 PolarHBondContact OD2-NZ 3.33Å
236L92.6Very high87.8Confident29 Ų2972.1 Ų72.115%0.15237%0.373CS..EExtended strand (participates in β ladder)trans-116.5135.1176.6-62.2172.2000108.7V177 E178 I179 F195 A226 L227 M234V177-L236 HydrophobicContact CG1-CB 4.08Å; V177-L236 HydrophobicContact CG1-CD2 4.13Å; E178-L236 WeakPolarHBondContact O-CA 3.4Å; I179-L236 HydrophobicContact CB-CD2 4Å; I179-L236 HydrophobicContact CD1-CD2 4.36Å; I179-L236 HydrophobicContact CG1-CD2 3.57Å; I179-L236 HydrophobicContact CG2-CD2 3.91Å; F195-L236 HydrophobicContact CE1-CD1 3.86Å; F195-L236 HydrophobicContact CE1-CD2 4.45Å; F195-L236 HydrophobicContact CZ-CD1 3.88Å; F195-L236 HydrophobicContact CZ-CD2 3.81Å; F195-L236 HydrophobicContact CZ-CG 4.36Å; A226-L236 HydrophobicContact CB-CD1 4.48Å; A226-L236 WeakPolarHBondContact O-CD1 3.2Å; L227-L236 HydrophobicContact CD2-CB 3.85Å; M234-L236 HydrophobicContact SD-CD2 4.4Å
237R91.6Very high87.7Confident52 Ų5274.1 Ų74.120%0.19638%0.382CS..EExtended strand (participates in β ladder)trans-136.6144.8171.964.1-176179.5172.4-4111.3V177 E178 Y180 K241V177-R237 WeakPolarHBondContact CG1-O 3.38Å; E178-R237 HydrophobicContact CB-CG 4.11Å; E178-R237 PolarHBondContact N-O 3.19Å; E178-R237 PolarHBondContact O-N 3.19Å; E178-R237 IonicContact OE1-CZ 2.6Å; E178-R237 IonicContact OE1-NE 3.69Å; E178-R237 IonicContact OE1-NH2 2.6Å; E178-R237 PolarHBondContact OE1-NH2 3.03Å; E178-R237 IonicContact OE2-CZ 3.8Å; E178-R237 IonicContact OE2-NE 2.7Å; E178-R237 PolarHBondContact OE2-NE 3.2Å; E178-R237 IonicContact OE2-NH2 3.75Å; E178-R237 PolarHBondContact OE2-NH2 3.22Å; Y180-R237 HydrophobicContact CD1-CB 4.34Å; Y180-R237 HydrophobicContact CD1-CG 3.73Å; Y180-R237 HydrophobicContact CE1-CB 3.75Å; Y180-R237 HydrophobicContact CE1-CG 3.59Å; R237-K241 PolarHBondContact NH1-O 2.86Å; R237-K241 VanDerWaalsContact NH1-O 3.17Å
238P90.9Very high87.4Confident54 Ų5474 Ų7435%0.35139%0.388SS..EExtended strand (participates in β ladder)trans-59.9152.1172-15.526.9000110.6L227 S240 K241L227-P238 HydrophobicContact CD1-CB 4.32Å; L227-P238 HydrophobicContact CD1-CG 3.78Å; L227-P238 HydrophobicContact CD2-CG 4.24Å; P238-S240 PolarHBondContact O-N 2.9Å; P238-S240 VanDerWaalsContact O-N 3.13Å; P238-K241 PolarHBondContact O-N 3.11Å
239L87Confident87.2Confident6 Ų669.7 Ų69.73%0.03138%0.375CS..G310 helixtrans-57.2-31.7179.9-166.668.8000112.3L173 L214 K241 S242 T246 K247 A250L173-L239 HydrophobicContact CB-CD2 3.62Å; L173-L239 HydrophobicContact CD1-CD2 3.64Å; L173-L239 HydrophobicContact CD2-CD2 4.31Å; L173-L239 HydrophobicContact CG-CD2 4.05Å; L214-L239 HydrophobicContact CD2-CD1 4.3Å; L239-K241 PolarHBondContact O-N 3.48Å; L239-K241 VanDerWaalsContact O-N 3.15Å; L239-S242 WeakPolarHBondContact O-CA 3.4Å; L239-S242 WeakPolarHBondContact O-CB 3.43Å; L239-S242 PolarHBondContact O-N 3.18Å; L239-T246 HydrophobicContact CD1-CG2 4.34Å; L239-K247 HydrophobicContact CD1-CG 4.27Å; L239-K247 HydrophobicContact CG-CG 4.2Å; L239-K247 WeakPolarHBondContact O-CE 3.45Å; L239-A250 HydrophobicContact CD1-CB 3.55Å; L239-A250 HydrophobicContact CD2-CB 3.57Å; L239-A250 HydrophobicContact CG-CB 4.22Å
240S85.2Confident87.1Confident63 Ų6367.2 Ų67.244%0.44136%0.36SS..G310 helixtrans-59.1-30.7177.3-37.90000113.7E170 P238 K247E170-S240 WeakPolarHBondContact OE1-CA 3.15Å; E170-S240 WeakPolarHBondContact OE1-CB 3.37Å; E170-S240 PolarHBondContact OE1-N 3.38Å; E170-S240 PolarHBondContact OE1-OG 3.02Å; P238-S240 PolarHBondContact O-N 2.9Å; P238-S240 VanDerWaalsContact O-N 3.13Å; S240-K247 WeakPolarHBondContact O-CE 3.18Å; S240-K247 PolarHBondContact O-NZ 3.13Å
241K86.6Confident87Confident159 Ų15962.8 Ų62.869%0.69134%0.338SS*.G310 helixtrans-94.75.2177.6-60.8-61.6-175.6-178.10113.3R237 P238 L239R237-K241 PolarHBondContact NH1-O 2.86Å; R237-K241 VanDerWaalsContact NH1-O 3.17Å; P238-K241 PolarHBondContact O-N 3.11Å; L239-K241 PolarHBondContact O-N 3.48Å; L239-K241 VanDerWaalsContact O-N 3.15Å
242S86Confident86.7Confident12 Ų1264.1 Ų64.18%0.08435%0.352CS..SBendtrans-77.4161.7-177.4-172.20000113.7E178 L239 T246 K247E178-S242 VanDerWaalsContact OE2-CA 3.3Å; E178-S242 WeakPolarHBondContact OE2-CA 3.49Å; E178-S242 WeakPolarHBondContact OE2-CB 3.28Å; E178-S242 PolarHBondContact OE2-OG 3.39Å; L239-S242 WeakPolarHBondContact O-CA 3.4Å; L239-S242 WeakPolarHBondContact O-CB 3.43Å; L239-S242 PolarHBondContact O-N 3.18Å; S242-T246 WeakPolarHBondContact OG-CB 3.43Å; S242-T246 WeakPolarHBondContact OG-CG2 3.41Å; S242-K247 WeakPolarHBondContact O-CE 3.14Å
243S87.3Confident86.1Confident59 Ų5958.2 Ų58.241%0.41331%0.313SS..  trans-61.5147.8168.4-179.10000111A245 T246 K247S243-A245 PolarHBondContact O-N 3.02Å; S243-T246 PolarHBondContact O-N 3.33Å; S243-T246 VanDerWaalsContact O-N 3.16Å; S243-K247 WeakPolarHBondContact O-CG 3.07Å; S243-K247 PolarHBondContact O-N 3.23Å
244N85.4Confident85.3Confident120 Ų12053.9 Ų53.964%0.64229%0.291SS*.Hα-helixtrans-61-33.8178.9-165.310.5000112.3K247 A248N244-K247 PolarHBondContact O-N 3.16Å; N244-A248 WeakPolarHBondContact O-CB 3.41Å; N244-A248 PolarHBondContact O-N 3.1Å
245A86.1Confident84.1Confident65 Ų6559.3 Ų59.354%0.53732%0.317SS..Hα-helixtrans-61.9-47.4175.300000111.6S243 A248 K249S243-A245 PolarHBondContact O-N 3.02Å; A245-A248 PolarHBondContact O-N 2.63Å; A245-K249 WeakPolarHBondContact O-CG 3.44Å; A245-K249 PolarHBondContact O-N 2.93Å
246T85.6Confident82.8Confident4 Ų459.2 Ų59.23%0.02532%0.321CS..Hα-helixtrans-64.3-39.6175.9-53.60000111.7E178 I208 L214 L239 S242 S243 K249 A250E178-T246 HydrophobicContact CB-CG2 4.24Å; E178-T246 VanDerWaalsContact CD-CG2 3.47Å; E178-T246 HydrophobicContact CG-CG2 3.81Å; E178-T246 WeakPolarHBondContact OE1-CG2 3.41Å; E178-T246 PolarHBondContact OE1-OG1 3.15Å; I208-T246 HydrophobicContact CD1-CG2 3.33Å; L214-T246 HydrophobicContact CD2-CG2 3.6Å; L214-T246 HydrophobicContact CG-CG2 4.38Å; L239-T246 HydrophobicContact CD1-CG2 4.34Å; S242-T246 WeakPolarHBondContact OG-CB 3.43Å; S242-T246 WeakPolarHBondContact OG-CG2 3.41Å; S243-T246 PolarHBondContact O-N 3.33Å; S243-T246 VanDerWaalsContact O-N 3.16Å; T246-K249 PolarHBondContact O-N 2.98Å; T246-A250 VanDerWaalsContact O-CB 3.31Å; T246-A250 WeakPolarHBondContact O-CB 3.39Å; T246-A250 PolarHBondContact O-N 3.04Å
247K87.2Confident81.3Confident42 Ų4263.3 Ų63.318%0.18334%0.335CS..Hα-helixtrans-60.6-46.8174-70.8-178.4174.1-171.60112.3L239 S240 S242 S243 N244 K249 A250 R251L239-K247 HydrophobicContact CD1-CG 4.27Å; L239-K247 HydrophobicContact CG-CG 4.2Å; L239-K247 WeakPolarHBondContact O-CE 3.45Å; S240-K247 WeakPolarHBondContact O-CE 3.18Å; S240-K247 PolarHBondContact O-NZ 3.13Å; S242-K247 WeakPolarHBondContact O-CE 3.14Å; S243-K247 WeakPolarHBondContact O-CG 3.07Å; S243-K247 PolarHBondContact O-N 3.23Å; N244-K247 PolarHBondContact O-N 3.16Å; K247-K249 VanDerWaalsContact C-N 3.33Å; K247-K249 PolarHBondContact O-N 2.84Å; K247-A250 PolarHBondContact O-N 3.04Å; K247-R251 WeakPolarHBondContact O-CG 3.14Å; K247-R251 PolarHBondContact O-N 3.28Å
248A84.7Confident79.7Confident48 Ų4864.4 Ų64.440%0.39735%0.345SS..Hα-helixtrans-61.3-44177.400000111.1N244 A245 R251 S252N244-A248 WeakPolarHBondContact O-CB 3.41Å; N244-A248 PolarHBondContact O-N 3.1Å; A245-A248 PolarHBondContact O-N 2.63Å; A248-R251 PolarHBondContact O-N 2.82Å; A248-S252 PolarHBondContact O-N 3.29Å; A248-S252 VanDerWaalsContact O-N 3.1Å; A248-S252 PolarHBondContact O-OG 3.13Å
249K85.3Confident77.8Confident122 Ų12266.6 Ų66.653%0.5335%0.353SS..Hα-helixtrans-60-50.7173.5-70.5-69-173.7175.10111.1I208 A245 T246 K247 R251 S252 C253I208-K249 HydrophobicContact CD1-CB 4.45Å; I208-K249 HydrophobicContact CG1-CB 4.42Å; I208-K249 HydrophobicContact CG2-CG 4.49Å; A245-K249 WeakPolarHBondContact O-CG 3.44Å; A245-K249 PolarHBondContact O-N 2.93Å; T246-K249 PolarHBondContact O-N 2.98Å; K247-K249 VanDerWaalsContact C-N 3.33Å; K247-K249 PolarHBondContact O-N 2.84Å; K249-R251 VanDerWaalsContact C-N 3.26Å; K249-R251 PolarHBondContact O-N 3.31Å; K249-S252 PolarHBondContact O-N 2.98Å; K249-S252 VanDerWaalsContact O-N 3.09Å; K249-C253 PolarHBondContact O-N 2.79Å; K249-C253 PolarHBondContact O-SG 2.91Å
250A85.3Confident75.9Confident0 Ų071.5 Ų71.50%039%0.385CS..Hα-helixtrans-56.8-38.6179.400000112.5I176 L214 L239 T246 K247 C253 S254I176-A250 HydrophobicContact CG2-CB 4.42Å; L214-A250 HydrophobicContact CD1-CB 3.9Å; L214-A250 HydrophobicContact CD2-CB 4.16Å; L239-A250 HydrophobicContact CD1-CB 3.55Å; L239-A250 HydrophobicContact CD2-CB 3.57Å; L239-A250 HydrophobicContact CG-CB 4.22Å; T246-A250 VanDerWaalsContact O-CB 3.31Å; T246-A250 WeakPolarHBondContact O-CB 3.39Å; T246-A250 PolarHBondContact O-N 3.04Å; K247-A250 PolarHBondContact O-N 3.04Å; A250-C253 PolarHBondContact O-N 3.32Å; A250-S254 WeakPolarHBondContact O-CB 3.04Å; A250-S254 PolarHBondContact O-N 3.47Å; A250-S254 PolarHBondContact O-OG 2.98Å
251R82.4Confident74.6Confident104 Ų10473.2 Ų73.239%0.39240%0.403SS..Hα-helixtrans-65.3-42.8174-71.6-176.9-171.6110.6-0.9113.3L173 K247 A248 K249 C253 S254 E255L173-R251 HydrophobicContact CD1-CG 3.91Å; K247-R251 WeakPolarHBondContact O-CG 3.14Å; K247-R251 PolarHBondContact O-N 3.28Å; A248-R251 PolarHBondContact O-N 2.82Å; K249-R251 VanDerWaalsContact C-N 3.26Å; K249-R251 PolarHBondContact O-N 3.31Å; R251-C253 VanDerWaalsContact C-N 3.28Å; R251-C253 PolarHBondContact O-N 3.18Å; R251-S254 WeakPolarHBondContact CA-OG 3.35Å; R251-S254 PolarHBondContact O-N 2.75Å; R251-S254 PolarHBondContact O-OG 3.1Å; R251-E255 PolarHBondContact O-N 2.98Å
252S79.2Confident73.4Confident67 Ų6775.1 Ų75.147%0.46941%0.412SS..Hα-helixtrans-66.8-33.8174-54.90000111.9A248 K249 D256A248-S252 PolarHBondContact O-N 3.29Å; A248-S252 VanDerWaalsContact O-N 3.1Å; A248-S252 PolarHBondContact O-OG 3.13Å; K249-S252 PolarHBondContact O-N 2.98Å; K249-S252 VanDerWaalsContact O-N 3.09Å; S252-D256 PolarHBondContact O-N 3.13Å; S252-D256 VanDerWaalsContact O-N 3.16Å
253C71.9Confident72.3Confident3 Ų383.1 Ų83.12%0.0245%0.448CS..Hα-helixtrans-70.6-45.9176.4-56.50000110.7K206 K249 A250 R251 E255 D256 Y257K206-C253 HydrophobicContact CD-CB 4.05Å; K206-C253 WeakPolarHBondContact CD-SG 3.26Å; K206-C253 WeakPolarHBondContact CE-SG 3.37Å; K206-C253 PolarHBondContact NZ-SG 3.46Å; K249-C253 PolarHBondContact O-N 2.79Å; K249-C253 PolarHBondContact O-SG 2.91Å; A250-C253 PolarHBondContact O-N 3.32Å; R251-C253 VanDerWaalsContact C-N 3.28Å; R251-C253 PolarHBondContact O-N 3.18Å; C253-E255 PolarHBondContact O-N 3.16Å; C253-D256 WeakPolarHBondContact O-CA 3.39Å; C253-D256 WeakPolarHBondContact O-CB 3.44Å; C253-D256 PolarHBondContact O-N 2.69Å; C253-Y257 HydrophobicContact CB-CD2 4.42Å; C253-Y257 HydrophobicContact CB-CE2 4.39Å; C253-Y257 WeakPolarHBondContact O-CD2 3.14Å; C253-Y257 PolarHBondContact O-N 2.68Å
254S69.8Low71.2Confident12 Ų1291.3 Ų91.38%0.08447%0.469CS..Hα-helixtrans-58.1-40.8177.365.40000109.5L173 A250 R251 D256 Y257 L258L173-S254 VanDerWaalsContact CD2-CB 3.48Å; L173-S254 WeakPolarHBondContact CD2-OG 3.4Å; A250-S254 WeakPolarHBondContact O-CB 3.04Å; A250-S254 PolarHBondContact O-N 3.47Å; A250-S254 PolarHBondContact O-OG 2.98Å; R251-S254 WeakPolarHBondContact CA-OG 3.35Å; R251-S254 PolarHBondContact O-N 2.75Å; R251-S254 PolarHBondContact O-OG 3.1Å; S254-D256 PolarHBondContact O-N 3.4Å; S254-Y257 CarbonylContact O-C 3.58Å; S254-Y257 PolarHBondContact O-N 2.79Å; S254-L258 WeakPolarHBondContact O-CA 3.37Å; S254-L258 WeakPolarHBondContact O-CB 3.46Å; S254-L258 WeakPolarHBondContact O-CD1 3.34Å; S254-L258 WeakPolarHBondContact O-CG 3.01Å; S254-L258 PolarHBondContact O-N 2.84Å
255E64Low70.5Confident122 Ų12290 Ų9057%0.5747%0.467SS*.Hα-helixtrans-54.2-54.1169.7-165.5174.4176.100111.2R251 C253 Y257 L258 L259R251-E255 PolarHBondContact O-N 2.98Å; C253-E255 PolarHBondContact O-N 3.16Å; E255-Y257 PolarHBondContact O-N 3.28Å; E255-Y257 VanDerWaalsContact O-N 3.1Å; E255-L258 PolarHBondContact O-N 3.42Å; E255-L259 HydrophobicContact CG-CD2 4.31Å; E255-L259 HydrophobicContact CG-CG 4.27Å; E255-L259 WeakPolarHBondContact O-CB 3.41Å; E255-L259 WeakPolarHBondContact O-CG 3.49Å; E255-L259 PolarHBondContact O-N 3.03Å
256D64.8Low69.8Low101 Ų10193.7 Ų93.754%0.5447%0.473SS..Hα-helixtrans-53.7-35.1177.4-66.9-35.1000114.7K206 S252 C253 S254K206-D256 IonicContact NZ-OD2 3.4Å; K206-D256 PolarHBondContact NZ-OD2 3.36Å; S252-D256 PolarHBondContact O-N 3.13Å; S252-D256 VanDerWaalsContact O-N 3.16Å; C253-D256 WeakPolarHBondContact O-CA 3.39Å; C253-D256 WeakPolarHBondContact O-CB 3.44Å; C253-D256 PolarHBondContact O-N 2.69Å; S254-D256 PolarHBondContact O-N 3.4Å
257Y61.3Low69.2Low114 Ų11499.5 Ų99.545%0.44751%0.509SS..Hα-helixtrans-93.8-21.6-178-68-80.2000114.1D204 K206 L216 C253 S254 E255D204-Y257 WeakPolarHBondContact OD2-CE1 3.38Å; D204-Y257 PolarHBondContact OD2-OH 3.45Å; K206-Y257 HydrophobicContact CD-CE2 4.42Å; L216-Y257 HydrophobicContact CD2-CD1 4.21Å; L216-Y257 HydrophobicContact CD2-CD2 3.22Å; L216-Y257 HydrophobicContact CD2-CE1 4.19Å; L216-Y257 HydrophobicContact CD2-CE2 3.29Å; L216-Y257 HydrophobicContact CD2-CG 3.76Å; C253-Y257 HydrophobicContact CB-CD2 4.42Å; C253-Y257 HydrophobicContact CB-CE2 4.39Å; C253-Y257 WeakPolarHBondContact O-CD2 3.14Å; C253-Y257 PolarHBondContact O-N 2.68Å; S254-Y257 CarbonylContact O-C 3.58Å; S254-Y257 PolarHBondContact O-N 2.79Å; E255-Y257 PolarHBondContact O-N 3.28Å; E255-Y257 VanDerWaalsContact O-N 3.1Å
258L57.2Low68.9Low76 Ų7699.3 Ų99.340%0.39851%0.513SS..Hα-helixtrans-94.7-12.9176.1-63.8166.4000111.9E172 S254 E255E172-L258 VanDerWaalsContact CD-CD1 3.45Å; E172-L258 HydrophobicContact CG-CD1 3.84Å; E172-L258 WeakPolarHBondContact OE1-CD1 3.38Å; S254-L258 WeakPolarHBondContact O-CA 3.37Å; S254-L258 WeakPolarHBondContact O-CB 3.46Å; S254-L258 WeakPolarHBondContact O-CD1 3.34Å; S254-L258 WeakPolarHBondContact O-CG 3.01Å; S254-L258 PolarHBondContact O-N 2.84Å; E255-L258 PolarHBondContact O-N 3.42Å
259L51Low68.9Low99 Ų9999.5 Ų99.552%0.51851%0.514SS..SBendtrans-55.8132.2177.2-87.5-179.4000108.6E255 A261E255-L259 HydrophobicContact CG-CD2 4.31Å; E255-L259 HydrophobicContact CG-CG 4.27Å; E255-L259 WeakPolarHBondContact O-CB 3.41Å; E255-L259 WeakPolarHBondContact O-CG 3.49Å; E255-L259 PolarHBondContact O-N 3.03Å; L259-A261 PolarHBondContact O-N 3.46Å
260P48.3Very low68.9Low110 Ų11095.4 Ų95.471%0.71450%0.504SS*.  trans-45.4134.3176.4-29.734.3000110.8K262P260-K262 PolarHBondContact O-N 3.42Å
261A57.7Low68.9Low98 Ų98100.3 Ų100.381%0.8153%0.529SS*.SBendtrans-37.9116.1179.700000109.8L259 E263L259-A261 PolarHBondContact O-N 3.46Å; A261-E263 PolarHBondContact O-N 2.92Å
262K61.3Low69.2Low200 Ų20098 Ų9887%0.8753%0.532SS*.  trans-20.5117.8-179.1-71.4177.2174.7170.10110.6P260 R264P260-K262 PolarHBondContact O-N 3.42Å; K262-R264 PolarHBondContact O-N 3.16Å
263E62.5Low69.6Low180 Ų18099.1 Ų99.184%0.84153%0.526SS*.  trans-40.3127.7-173.9-72.6-167.7158.500110.6A261A261-E263 PolarHBondContact O-N 2.92Å
264R64.2Low70.3Confident231 Ų231105.7 Ų105.787%0.87256%0.555SS**  trans-50.9130.9-178.9-69.8-177.9-177.8156.92.2107.6K262 Q266K262-R264 PolarHBondContact O-N 3.16Å; R264-Q266 PolarHBondContact O-N 2.93Å
265P69.9Low71.4Confident91 Ų91110.3 Ų110.359%0.59158%0.578SS**  trans-51.9133.1-178.522.7-33.7000108.4T267P265-T267 WeakPolarHBondContact O-CG2 3.3Å; P265-T267 PolarHBondContact O-N 3.47Å
266Q71.9Confident72.7Confident143 Ų143108.3 Ų108.367%0.66857%0.574SS**  trans-53.9104.9-175.4-72-170.18.400110.3R264R264-Q266 PolarHBondContact O-N 2.93Å
267T73.3Confident74.1Confident127 Ų127106 Ų10678%0.77956%0.561SS**  trans-93.6129.5176.756.60000109.2P265P265-T267 WeakPolarHBondContact O-CG2 3.3Å; P265-T267 PolarHBondContact O-N 3.47Å
268S80Confident75.6Confident38 Ų38103.5 Ų103.527%0.26657%0.569SS.*  trans-80.7137.5172.774.10000111A270 E294 L298S268-A270 PolarHBondContact O-N 2.9Å; S268-E294 WeakPolarHBondContact CB-OE1 3.43Å; S268-L298 VanDerWaalsContact OG-CD1 3.23Å; S268-L298 WeakPolarHBondContact OG-CD1 3.34Å
269A85.3Confident77.3Confident51 Ų51104 Ų10442%0.42159%0.585SS.*THydrogen-bonded Turntrans-72.9-3.2177.700000113.2L271 A272 R273 E294A269-L271 VanDerWaalsContact C-N 3.26Å; A269-L271 PolarHBondContact O-N 3.31Å; A269-A272 PolarHBondContact O-N 3.49Å; A269-R273 PolarHBondContact O-N 2.89Å; A269-E294 PolarHBondContact N-OE1 3.4Å
270A84.9Confident79.2Confident37 Ų37105.3 Ų105.331%0.30659%0.592SS.*Hα-helixtrans-48.7-44.2173.800000113.3S268 K274 E294S268-A270 PolarHBondContact O-N 2.9Å; A270-K274 WeakPolarHBondContact O-CB 3.38Å; A270-K274 PolarHBondContact O-N 2.94Å; A270-E294 WeakPolarHBondContact CA-OE1 3.3Å; A270-E294 WeakPolarHBondContact CB-OE1 3.48Å; A270-E294 WeakPolarHBondContact CB-OE2 3.31Å; A270-E294 PolarHBondContact N-OE1 3.45Å
271L85.5Confident81.2Confident102 Ų102103.4 Ų103.453%0.53459%0.592SS.*Hα-helixtrans-68.8-47.1-177.3-178.261.6000111A269 R273 K274 L275A269-L271 VanDerWaalsContact C-N 3.26Å; A269-L271 PolarHBondContact O-N 3.31Å; L271-R273 VanDerWaalsContact C-N 3.35Å; L271-R273 PolarHBondContact O-N 3.38Å; L271-K274 PolarHBondContact O-N 2.92Å; L271-L275 HydrophobicContact CD1-CD1 4.48Å; L271-L275 HydrophobicContact CD1-CG 4.49Å; L271-L275 HydrophobicContact CG-CD1 4.23Å; L271-L275 WeakPolarHBondContact O-CG 3.42Å; L271-L275 PolarHBondContact O-N 2.99Å
272A89.1Confident82.7Confident56 Ų56102.8 Ų102.846%0.46358%0.578SS.*Hα-helixtrans-58.4-47.5176.200000110.9A269 K274 L275 V276A269-A272 PolarHBondContact O-N 3.49Å; A272-K274 PolarHBondContact O-N 3.18Å; A272-L275 PolarHBondContact O-N 2.89Å; A272-V276 WeakPolarHBondContact O-CB 3.41Å; A272-V276 WeakPolarHBondContact O-CG2 3.3Å; A272-V276 PolarHBondContact O-N 3.47Å
273R87.5Confident83.8Confident90 Ų90101.6 Ų101.634%0.3457%0.573SS.*Hα-helixtrans-58.7-46.4175.3-74.6-167.3-64.5-80.6-3.9112.1A269 L271 L275 V276 I277 E294A269-R273 PolarHBondContact O-N 2.89Å; L271-R273 VanDerWaalsContact C-N 3.35Å; L271-R273 PolarHBondContact O-N 3.38Å; R273-L275 VanDerWaalsContact C-N 3.3Å; R273-L275 PolarHBondContact O-N 3.28Å; R273-V276 PolarHBondContact O-N 3.07Å; R273-I277 HydrophobicContact CB-CD1 4.23Å; R273-I277 WeakPolarHBondContact O-CB 3.42Å; R273-I277 WeakPolarHBondContact O-CD1 3.46Å; R273-I277 WeakPolarHBondContact O-CG1 3.45Å; R273-I277 PolarHBondContact O-N 2.6Å; R273-E294 IonicContact CZ-OE1 2.79Å; R273-E294 IonicContact CZ-OE2 3.87Å; R273-E294 IonicContact NH2-OE1 2.86Å; R273-E294 PolarHBondContact NH2-OE1 2.77Å; R273-E294 IonicContact NH2-OE2 3.31Å; R273-E294 PolarHBondContact NH2-OE2 2.89Å
274K87.3Confident84.6Confident142 Ų14295.4 Ų95.462%0.61755%0.549SS*.Hα-helixtrans-58.6-42.5177.9-172-173.169.4169.30111.8A270 L271 A272 G278A270-K274 WeakPolarHBondContact O-CB 3.38Å; A270-K274 PolarHBondContact O-N 2.94Å; L271-K274 PolarHBondContact O-N 2.92Å; A272-K274 PolarHBondContact O-N 3.18Å; K274-G278 PolarHBondContact O-N 3.16Å
275L91.6Very high85.4Confident108 Ų10891.7 Ų91.757%0.56555%0.547SS*.Hα-helixtrans-66.5-48.5179.1-69.8171.8000111.5L271 A272 R273 G278 A279L271-L275 HydrophobicContact CD1-CD1 4.48Å; L271-L275 HydrophobicContact CD1-CG 4.49Å; L271-L275 HydrophobicContact CG-CD1 4.23Å; L271-L275 WeakPolarHBondContact O-CG 3.42Å; L271-L275 PolarHBondContact O-N 2.99Å; A272-L275 PolarHBondContact O-N 2.89Å; R273-L275 VanDerWaalsContact C-N 3.3Å; R273-L275 PolarHBondContact O-N 3.28Å; L275-G278 PolarHBondContact O-N 3.15Å; L275-A279 WeakPolarHBondContact O-CB 3.41Å; L275-A279 PolarHBondContact O-N 2.91Å
276V93.1Very high85.9Confident80 Ų8090.3 Ų90.349%0.48553%0.534SS..Hα-helixtrans-64.1-47.4179.8172.30000111.3A272 R273 G278 A279 L280A272-V276 WeakPolarHBondContact O-CB 3.41Å; A272-V276 WeakPolarHBondContact O-CG2 3.3Å; A272-V276 PolarHBondContact O-N 3.47Å; R273-V276 PolarHBondContact O-N 3.07Å; V276-G278 VanDerWaalsContact C-N 3.33Å; V276-G278 PolarHBondContact O-N 2.86Å; V276-A279 PolarHBondContact O-N 2.92Å; V276-L280 HydrophobicContact CG1-CD1 3.55Å; V276-L280 HydrophobicContact CG1-CG 4.17Å; V276-L280 WeakPolarHBondContact O-CB 2.92Å; V276-L280 VanDerWaalsContact O-CG 3.32Å; V276-L280 WeakPolarHBondContact O-CG 3.09Å; V276-L280 PolarHBondContact O-N 3.17Å
277I92.6Very high86.5Confident54 Ų5487 Ų8728%0.27752%0.523SS..Hα-helixtrans-61.3-42.3177.3-71.2170.6000110.7R273 G281 V282R273-I277 HydrophobicContact CB-CD1 4.23Å; R273-I277 WeakPolarHBondContact O-CB 3.42Å; R273-I277 WeakPolarHBondContact O-CD1 3.46Å; R273-I277 WeakPolarHBondContact O-CG1 3.45Å; R273-I277 PolarHBondContact O-N 2.6Å; I277-G281 WeakPolarHBondContact O-CA 3.15Å; I277-G281 PolarHBondContact O-N 2.46Å; I277-V282 WeakPolarHBondContact CG2-O 3.49Å; I277-V282 PolarHBondContact O-N 3.48Å
278G92.6Very high86.9Confident60 Ų6088.6 Ų88.662%0.61952%0.52SS*.Hα-helixtrans-65-37.8176.200000113.3K274 L275 V276K274-G278 PolarHBondContact O-N 3.16Å; L275-G278 PolarHBondContact O-N 3.15Å; V276-G278 VanDerWaalsContact C-N 3.33Å; V276-G278 PolarHBondContact O-N 2.86Å
279A93.2Very high87.2Confident88 Ų8894.1 Ų94.173%0.72754%0.541SS*.Hα-helixtrans-75.3-40.6178.700000112.8L275 V276 G281L275-A279 WeakPolarHBondContact O-CB 3.41Å; L275-A279 PolarHBondContact O-N 2.91Å; V276-A279 PolarHBondContact O-N 2.92Å; A279-G281 VanDerWaalsContact C-N 3.34Å
280L92.5Very high87.1Confident126 Ų12696.5 Ų96.566%0.6654%0.544SS*.Hα-helixtrans-81.7-12.7178.9-62.6178.5000112.8V276 V282V276-L280 HydrophobicContact CG1-CD1 3.55Å; V276-L280 HydrophobicContact CG1-CG 4.17Å; V276-L280 WeakPolarHBondContact O-CB 2.92Å; V276-L280 VanDerWaalsContact O-CG 3.32Å; V276-L280 WeakPolarHBondContact O-CG 3.09Å; V276-L280 PolarHBondContact O-N 3.17Å; L280-V282 HydrophobicContact CB-CG2 3.88Å; L280-V282 PolarHBondContact O-N 3.33Å
281G89.7Confident86.9Confident70 Ų70100.1 Ų100.172%0.72255%0.549SS*.THydrogen-bonded Turntrans6716.1-179.100000114.3I277 A279I277-G281 WeakPolarHBondContact O-CA 3.15Å; I277-G281 PolarHBondContact O-N 2.46Å; A279-G281 VanDerWaalsContact C-N 3.34Å
282V88.6Confident86.9Confident84 Ų84101.5 Ų101.551%0.50955%0.553SS.*PPolyproline II helixtrans-87.3149.9-177.5-174.70000109.6I277 L280I277-V282 WeakPolarHBondContact CG2-O 3.49Å; I277-V282 PolarHBondContact O-N 3.48Å; L280-V282 HydrophobicContact CB-CG2 3.88Å; L280-V282 PolarHBondContact O-N 3.33Å
283K83.8Confident86.8Confident176 Ų176101.7 Ų101.777%0.76556%0.555SS**PPolyproline II helixtrans-77.8142.2173.353.6177.6175.31750111.2N285K283-N285 PolarHBondContact O-N 2.94Å
284S80.2Confident86.6Confident50 Ų5099.2 Ų99.235%0.3555%0.547SS..PPolyproline II helixtrans-69.4128.2177.569.10000111.3L286 R291S284-L286 PolarHBondContact O-N 3.3Å; S284-R291 PolarHBondContact OG-NH2 2.85Å
285N81.6Confident86.4Confident153 Ų15398.9 Ų98.982%0.81855%0.545SS*.  trans-79.10173.8-59.6-33.1000113.5K283K283-N285 PolarHBondContact O-N 2.94Å
286L79.7Confident86.3Confident61 Ų6199.7 Ų99.732%0.31955%0.545SS..  trans-82.9132.9-175.8-142.477000111.4S284 Q290S284-L286 PolarHBondContact O-N 3.3Å; L286-Q290 HydrophobicContact CD2-CB 4.04Å; L286-Q290 HydrophobicContact CG-CB 3.81Å; L286-Q290 VanDerWaalsContact CG-OE1 3.32Å
287T83.6Confident86.1Confident73 Ų73102.2 Ų102.245%0.44855%0.549SS..  trans-68.1158.9177.654.90000111.6E289 Q290 R291T287-E289 VanDerWaalsContact C-N 3.29Å; T287-E289 PolarHBondContact O-N 2.67Å; T287-Q290 PolarHBondContact O-N 2.89Å; T287-Q290 WeakPolarHBondContact OG1-CG 2.91Å; T287-Q290 PolarHBondContact OG1-OE1 3.36Å; T287-R291 PolarHBondContact O-N 3.3Å
288K82.7Confident85.6Confident161 Ų161102.1 Ų102.170%0.755%0.549SS*.Hα-helixtrans-60.8-40.2179.5-70.1-179.9-179.1175.80111.9R291 E292K288-R291 WeakPolarHBondContact O-CB 3.05Å; K288-R291 PolarHBondContact O-N 2.79Å; K288-E292 PolarHBondContact O-N 3.09Å
289E85.4Confident85.3Confident155 Ų155104.5 Ų104.572%0.72454%0.544SS*.Hα-helixtrans-63-43.5178.2-67.2168.5-176.500112.3T287 R291 E292 A293T287-E289 VanDerWaalsContact C-N 3.29Å; T287-E289 PolarHBondContact O-N 2.67Å; E289-R291 VanDerWaalsContact C-N 3.28Å; E289-R291 PolarHBondContact O-N 2.91Å; E289-E292 PolarHBondContact O-N 2.98Å; E289-A293 WeakPolarHBondContact O-CB 3.28Å; E289-A293 PolarHBondContact O-N 3.27Å
290Q84.2Confident85.1Confident100 Ų100105.1 Ų105.147%0.46753%0.532SS..Hα-helixtrans-61.6-37.4175.4-74.3172-1600112L286 T287 E294L286-Q290 HydrophobicContact CD2-CB 4.04Å; L286-Q290 HydrophobicContact CG-CB 3.81Å; L286-Q290 VanDerWaalsContact CG-OE1 3.32Å; T287-Q290 PolarHBondContact O-N 2.89Å; T287-Q290 WeakPolarHBondContact OG1-CG 2.91Å; T287-Q290 PolarHBondContact OG1-OE1 3.36Å; Q290-E294 WeakPolarHBondContact O-CB 3.48Å; Q290-E294 PolarHBondContact O-N 3.47Å; Q290-E294 VanDerWaalsContact O-N 3.11Å
291R80.5Confident84.8Confident113 Ų113100.3 Ų100.343%0.42651%0.51SS..Hα-helixtrans-65.7-40175.5-170.3-174.1-65.1101.53.8111.9S284 T287 K288 E289 K295S284-R291 PolarHBondContact OG-NH2 2.85Å; T287-R291 PolarHBondContact O-N 3.3Å; K288-R291 WeakPolarHBondContact O-CB 3.05Å; K288-R291 PolarHBondContact O-N 2.79Å; E289-R291 VanDerWaalsContact C-N 3.28Å; E289-R291 PolarHBondContact O-N 2.91Å; R291-K295 WeakPolarHBondContact O-CB 3.44Å; R291-K295 PolarHBondContact O-N 2.75Å; R291-K295 VanDerWaalsContact O-N 3.16Å
292E85.4Confident84.6Confident131 Ų131103.2 Ų103.261%0.61250%0.503SS*.Hα-helixtrans-72.6-41.1178.7-72.6175.2-16800112K288 E289 E294 K295 K296K288-E292 PolarHBondContact O-N 3.09Å; E289-E292 PolarHBondContact O-N 2.98Å; E292-E294 PolarHBondContact O-N 2.85Å; E292-K295 PolarHBondContact O-N 3.06Å; E292-K296 WeakPolarHBondContact O-CB 3.38Å; E292-K296 PolarHBondContact O-N 3.26Å
293A86.7Confident84.7Confident60 Ų60105.2 Ų105.250%0.49651%0.506SS..Hα-helixtrans-60.3-44.6175.500000111.9E289 K295 K296 K297E289-A293 WeakPolarHBondContact O-CB 3.28Å; E289-A293 PolarHBondContact O-N 3.27Å; A293-K295 PolarHBondContact O-N 3.1Å; A293-K296 PolarHBondContact O-N 3.35Å; A293-K297 WeakPolarHBondContact O-CB 3.11Å; A293-K297 PolarHBondContact O-N 3.03Å
294E84.6Confident84.8Confident38 Ų38101 Ų10118%0.17850%0.498CS..Hα-helixtrans-64.9-39.3175.9-174.3-176.6-16500112.3S268 A269 A270 R273 Q290 E292 K297 L298S268-E294 WeakPolarHBondContact CB-OE1 3.43Å; A269-E294 PolarHBondContact N-OE1 3.4Å; A270-E294 WeakPolarHBondContact CA-OE1 3.3Å; A270-E294 WeakPolarHBondContact CB-OE1 3.48Å; A270-E294 WeakPolarHBondContact CB-OE2 3.31Å; A270-E294 PolarHBondContact N-OE1 3.45Å; R273-E294 IonicContact CZ-OE1 2.79Å; R273-E294 IonicContact CZ-OE2 3.87Å; R273-E294 IonicContact NH2-OE1 2.86Å; R273-E294 PolarHBondContact NH2-OE1 2.77Å; R273-E294 IonicContact NH2-OE2 3.31Å; R273-E294 PolarHBondContact NH2-OE2 2.89Å; Q290-E294 WeakPolarHBondContact O-CB 3.48Å; Q290-E294 PolarHBondContact O-N 3.47Å; Q290-E294 VanDerWaalsContact O-N 3.11Å; E292-E294 PolarHBondContact O-N 2.85Å; E294-K297 PolarHBondContact O-N 3.42Å; E294-L298 PolarHBondContact O-N 3.21Å
295K83.1Confident84.9Confident135 Ų135102.4 Ų102.459%0.58750%0.501SS*.Hα-helixtrans-64.1-41.8175.4-173.2-177.4176.7-1720111.3R291 E292 A293 L298 Q299R291-K295 WeakPolarHBondContact O-CB 3.44Å; R291-K295 PolarHBondContact O-N 2.75Å; R291-K295 VanDerWaalsContact O-N 3.16Å; E292-K295 PolarHBondContact O-N 3.06Å; A293-K295 PolarHBondContact O-N 3.1Å; K295-L298 PolarHBondContact O-N 3.39Å; K295-Q299 WeakPolarHBondContact O-CG 3.41Å; K295-Q299 PolarHBondContact O-N 3.31Å
296K89.1Confident85.1Confident126 Ų12697.2 Ų97.255%0.54848%0.477SS..Hα-helixtrans-64.3-42.9176.2-170.9177.3180-179.60111.2E292 A293 L298 Q299 Q300E292-K296 WeakPolarHBondContact O-CB 3.38Å; E292-K296 PolarHBondContact O-N 3.26Å; A293-K296 PolarHBondContact O-N 3.35Å; K296-L298 VanDerWaalsContact C-N 3.31Å; K296-L298 PolarHBondContact O-N 2.9Å; K296-Q299 PolarHBondContact O-N 3.43Å; K296-Q299 VanDerWaalsContact O-N 3.16Å; K296-Q300 WeakPolarHBondContact O-CG 3.44Å; K296-Q300 PolarHBondContact O-N 3.4Å
297K87.7Confident85.4Confident132 Ų13298.4 Ų98.457%0.57449%0.487SS*.Hα-helixtrans-58.8-41.9174.3-170.9175.1-178.1176.90111.9A293 E294 Q300 A301A293-K297 WeakPolarHBondContact O-CB 3.11Å; A293-K297 PolarHBondContact O-N 3.03Å; E294-K297 PolarHBondContact O-N 3.42Å; K297-Q300 PolarHBondContact O-N 3.41Å; K297-A301 WeakPolarHBondContact O-CB 3.43Å; K297-A301 PolarHBondContact O-N 3.18Å
298L81.8Confident85.3Confident53 Ų53103.2 Ų103.228%0.27750%0.496SS..Hα-helixtrans-68.2-36.2176-177.6133.2000112.9S268 E294 K295 K296 K302S268-L298 VanDerWaalsContact OG-CD1 3.23Å; S268-L298 WeakPolarHBondContact OG-CD1 3.34Å; E294-L298 PolarHBondContact O-N 3.21Å; K295-L298 PolarHBondContact O-N 3.39Å; K296-L298 VanDerWaalsContact C-N 3.31Å; K296-L298 PolarHBondContact O-N 2.9Å; L298-K302 HydrophobicContact CD2-CD 3.91Å; L298-K302 HydrophobicContact CG-CD 4.5Å; L298-K302 WeakPolarHBondContact O-CB 3.41Å; L298-K302 VanDerWaalsContact O-CG 3.28Å; L298-K302 WeakPolarHBondContact O-CG 3.46Å; L298-K302 PolarHBondContact O-N 3.46Å
299Q86.4Confident85.2Confident109 Ų109101.9 Ų101.951%0.50949%0.493SS..Hα-helixtrans-64.9-46.4174.2-75.7174.4-2700111.3K295 K296 K302 E303K295-Q299 WeakPolarHBondContact O-CG 3.41Å; K295-Q299 PolarHBondContact O-N 3.31Å; K296-Q299 PolarHBondContact O-N 3.43Å; K296-Q299 VanDerWaalsContact O-N 3.16Å; Q299-K302 PolarHBondContact O-N 3.34Å; Q299-E303 WeakPolarHBondContact O-CB 3.3Å; Q299-E303 PolarHBondContact O-N 2.84Å
300Q90.3Very high85Confident102 Ų102101.7 Ų101.748%0.47749%0.489SS..Hα-helixtrans-61.5-45.1176.4-71.1174.6-1900111.8K296 K297 K302 E303 C304K296-Q300 WeakPolarHBondContact O-CG 3.44Å; K296-Q300 PolarHBondContact O-N 3.4Å; K297-Q300 PolarHBondContact O-N 3.41Å; Q300-K302 VanDerWaalsContact C-N 3.32Å; Q300-K302 PolarHBondContact O-N 2.81Å; Q300-E303 PolarHBondContact O-N 2.8Å; Q300-C304 WeakPolarHBondContact O-CB 3.48Å; Q300-C304 PolarHBondContact O-N 2.86Å; Q300-C304 PolarHBondContact O-SG 2.85Å; Q300-C304 VanDerWaalsContact O-SG 3.41Å
301A86.4Confident84.7Confident24 Ų2499.2 Ų99.220%0.19849%0.487CS..Hα-helixtrans-61.1-40.3176.900000112.3K297 L305K297-A301 WeakPolarHBondContact O-CB 3.43Å; K297-A301 PolarHBondContact O-N 3.18Å; A301-L305 WeakPolarHBondContact O-CB 3.48Å; A301-L305 WeakPolarHBondContact O-CG 3.05Å; A301-L305 PolarHBondContact O-N 2.88Å
302K85.6Confident84.1Confident132 Ų13299 Ų9957%0.57449%0.49SS*.Hα-helixtrans-65.6-40.5174.3-76.6177.4174.4-174.90112.5L298 Q299 Q300 L305 S306L298-K302 HydrophobicContact CD2-CD 3.91Å; L298-K302 HydrophobicContact CG-CD 4.5Å; L298-K302 WeakPolarHBondContact O-CB 3.41Å; L298-K302 VanDerWaalsContact O-CG 3.28Å; L298-K302 WeakPolarHBondContact O-CG 3.46Å; L298-K302 PolarHBondContact O-N 3.46Å; Q299-K302 PolarHBondContact O-N 3.34Å; Q300-K302 VanDerWaalsContact C-N 3.32Å; Q300-K302 PolarHBondContact O-N 2.81Å; K302-L305 PolarHBondContact O-N 3.03Å; K302-S306 WeakPolarHBondContact O-CB 3.37Å; K302-S306 PolarHBondContact O-N 3.37Å
303E90.4Very high83Confident125 Ų12595.4 Ų95.458%0.58448%0.478SS*.Hα-helixtrans-63.6-50.3176.4-174.7178.2175.900110.5Q299 Q300 L305 S306 V307Q299-E303 WeakPolarHBondContact O-CB 3.3Å; Q299-E303 PolarHBondContact O-N 2.84Å; Q300-E303 PolarHBondContact O-N 2.8Å; E303-L305 VanDerWaalsContact C-N 3.33Å; E303-L305 PolarHBondContact O-N 3.27Å; E303-S306 CarbonylContact O-C 3.5Å; E303-S306 WeakPolarHBondContact O-CA 3.4Å; E303-S306 WeakPolarHBondContact O-CB 3.39Å; E303-S306 PolarHBondContact O-N 3.16Å; E303-S306 PolarHBondContact O-OG 3.04Å; E303-V307 HydrophobicContact CG-CG2 4.45Å; E303-V307 VanDerWaalsContact O-CG2 3.32Å; E303-V307 WeakPolarHBondContact O-CG2 3.32Å; E303-V307 PolarHBondContact O-N 2.9Å
304C85.1Confident81.7Confident87 Ų87102 Ų10259%0.58849%0.49SS*.Hα-helixtrans-56.2-44.2174.7-72.70000112.3Q300 V307 R308Q300-C304 WeakPolarHBondContact O-CB 3.48Å; Q300-C304 PolarHBondContact O-N 2.86Å; Q300-C304 PolarHBondContact O-SG 2.85Å; Q300-C304 VanDerWaalsContact O-SG 3.41Å; C304-V307 PolarHBondContact O-N 3.36Å; C304-R308 WeakPolarHBondContact O-CB 3.43Å; C304-R308 PolarHBondContact O-N 3.4Å
305L83.6Confident80.4Confident80 Ų80102.8 Ų102.842%0.41950%0.5SS..Hα-helixtrans-61.5-43.5173.8-78.2170.5000111.8A301 K302 E303 V307 R308 Q309A301-L305 WeakPolarHBondContact O-CB 3.48Å; A301-L305 WeakPolarHBondContact O-CG 3.05Å; A301-L305 PolarHBondContact O-N 2.88Å; K302-L305 PolarHBondContact O-N 3.03Å; E303-L305 VanDerWaalsContact C-N 3.33Å; E303-L305 PolarHBondContact O-N 3.27Å; L305-V307 VanDerWaalsContact C-N 3.32Å; L305-V307 PolarHBondContact O-N 3.01Å; L305-R308 PolarHBondContact O-N 2.99Å; L305-Q309 WeakPolarHBondContact O-CB 3.47Å; L305-Q309 VanDerWaalsContact O-CG 3.3Å; L305-Q309 WeakPolarHBondContact O-CG 3.34Å; L305-Q309 PolarHBondContact O-N 2.99Å
306S84.1Confident79.5Confident45 Ų45101.5 Ų101.532%0.31550%0.496SS..Hα-helixtrans-65.3-36.3178.186.90000112.4K302 E303 K310K302-S306 WeakPolarHBondContact O-CB 3.37Å; K302-S306 PolarHBondContact O-N 3.37Å; E303-S306 CarbonylContact O-C 3.5Å; E303-S306 WeakPolarHBondContact O-CA 3.4Å; E303-S306 WeakPolarHBondContact O-CB 3.39Å; E303-S306 PolarHBondContact O-N 3.16Å; E303-S306 PolarHBondContact O-OG 3.04Å; S306-K310 WeakPolarHBondContact O-CB 3.23Å; S306-K310 VanDerWaalsContact O-CG 3.23Å; S306-K310 WeakPolarHBondContact O-CG 3.18Å; S306-K310 PolarHBondContact O-N 3.14Å
307V86.3Confident78.5Confident85 Ų85102.3 Ų102.352%0.51550%0.502SS..Hα-helixtrans-68.7-47.3176.9170.70000109.5E303 C304 L305 Q309 K310 A311E303-V307 HydrophobicContact CG-CG2 4.45Å; E303-V307 VanDerWaalsContact O-CG2 3.32Å; E303-V307 WeakPolarHBondContact O-CG2 3.32Å; E303-V307 PolarHBondContact O-N 2.9Å; C304-V307 PolarHBondContact O-N 3.36Å; L305-V307 VanDerWaalsContact C-N 3.32Å; L305-V307 PolarHBondContact O-N 3.01Å; V307-Q309 VanDerWaalsContact C-N 3.35Å; V307-Q309 PolarHBondContact O-N 2.96Å; V307-K310 CarbonylContact O-C 3.52Å; V307-K310 PolarHBondContact O-N 3.38Å; V307-K310 VanDerWaalsContact O-N 3.16Å; V307-A311 VanDerWaalsContact O-CB 3.3Å; V307-A311 WeakPolarHBondContact O-CB 3.36Å; V307-A311 PolarHBondContact O-N 3.38Å
308R82.8Confident77.4Confident174 Ų174104.4 Ų104.466%0.65751%0.506SS*.Hα-helixtrans-58.3-45.9175.8-175.3177.2178.1176.21.8111.6C304 L305 K310 A311 Q312C304-R308 WeakPolarHBondContact O-CB 3.43Å; C304-R308 PolarHBondContact O-N 3.4Å; L305-R308 PolarHBondContact O-N 2.99Å; R308-K310 VanDerWaalsContact C-N 3.3Å; R308-K310 PolarHBondContact O-N 2.98Å; R308-A311 PolarHBondContact O-N 3.09Å; R308-Q312 PolarHBondContact O-N 2.93Å
309Q79.1Confident76.5Confident133 Ų133107.8 Ų107.862%0.62152%0.521SS*.Hα-helixtrans-63.4-33.6177.3-75.9179.223.500113L305 V307 P313L305-Q309 WeakPolarHBondContact O-CB 3.47Å; L305-Q309 VanDerWaalsContact O-CG 3.3Å; L305-Q309 WeakPolarHBondContact O-CG 3.34Å; L305-Q309 PolarHBondContact O-N 2.99Å; V307-Q309 VanDerWaalsContact C-N 3.35Å; V307-Q309 PolarHBondContact O-N 2.96Å; Q309-P313 WeakPolarHBondContact O-CD 3.4Å
310K81.9Confident75.8Confident151 Ų151107.9 Ų107.966%0.65752%0.524SS*.Hα-helixtrans-80.5-25.4175.7-72172.4-178.1178.10113.1S306 V307 R308S306-K310 WeakPolarHBondContact O-CB 3.23Å; S306-K310 VanDerWaalsContact O-CG 3.23Å; S306-K310 WeakPolarHBondContact O-CG 3.18Å; S306-K310 PolarHBondContact O-N 3.14Å; V307-K310 CarbonylContact O-C 3.52Å; V307-K310 PolarHBondContact O-N 3.38Å; V307-K310 VanDerWaalsContact O-N 3.16Å; R308-K310 VanDerWaalsContact C-N 3.3Å; R308-K310 PolarHBondContact O-N 2.98Å
311A77.7Confident74.8Confident49 Ų49106.6 Ų106.641%0.40553%0.532SS..Hα-helixtrans-74.8-38.718000000112V307 R308 R314 S315V307-A311 VanDerWaalsContact O-CB 3.3Å; V307-A311 WeakPolarHBondContact O-CB 3.36Å; V307-A311 PolarHBondContact O-N 3.38Å; R308-A311 PolarHBondContact O-N 3.09Å; A311-R314 PolarHBondContact O-N 3.3Å; A311-R314 VanDerWaalsContact O-N 3.13Å; A311-S315 PolarHBondContact O-N 2.85Å; A311-S315 PolarHBondContact O-OG 3.21Å
312Q67.3Low73.8Confident108 Ų108115.4 Ų115.451%0.50556%0.56SS.*Hα-helixtrans-53.5-54.5178.8-73.5-168.7-58.700114.5R308 R314 S315 E316R308-Q312 PolarHBondContact O-N 2.93Å; Q312-R314 PolarHBondContact O-N 3.15Å; Q312-S315 PolarHBondContact O-N 2.86Å; Q312-S315 PolarHBondContact O-OG 3.13Å; Q312-E316 WeakPolarHBondContact O-CG 3.4Å; Q312-E316 PolarHBondContact O-N 2.85Å; Q312-E316 VanDerWaalsContact O-N 3.14Å
313P62.6Low72.3Confident56 Ų56116.8 Ų116.836%0.36457%0.568SS.*Hα-helixtrans-71-21.817928.4-36000112.8Q309 Q317Q309-P313 WeakPolarHBondContact O-CD 3.4Å; P313-Q317 WeakPolarHBondContact O-CB 3.3Å; P313-Q317 VanDerWaalsContact O-CG 3.22Å; P313-Q317 WeakPolarHBondContact O-CG 3.22Å; P313-Q317 PolarHBondContact O-N 2.82Å
314R59.5Low70.7Confident198 Ų198114.2 Ų114.275%0.74758%0.576SS**Hα-helixtrans-80-33.1178.3179.4-179.9-101.6-169.6-6.1111.9A311 Q312 R318A311-R314 PolarHBondContact O-N 3.3Å; A311-R314 VanDerWaalsContact O-N 3.13Å; Q312-R314 PolarHBondContact O-N 3.15Å; R314-R318 VanDerWaalsContact O-CB 3.31Å; R314-R318 WeakPolarHBondContact O-CB 3.31Å; R314-R318 PolarHBondContact O-N 3.16Å; R314-R318 VanDerWaalsContact O-N 3.16Å
315S57.8Low68.5Low54 Ų54122.9 Ų122.938%0.37860%0.603SS.*Hα-helixtrans-69.4-45.217148.30000110.5A311 Q312 Q317 R318 E319A311-S315 PolarHBondContact O-N 2.85Å; A311-S315 PolarHBondContact O-OG 3.21Å; Q312-S315 PolarHBondContact O-N 2.86Å; Q312-S315 PolarHBondContact O-OG 3.13Å; S315-Q317 PolarHBondContact O-N 3.05Å; S315-R318 WeakPolarHBondContact O-CB 3.39Å; S315-R318 PolarHBondContact O-N 2.85Å; S315-E319 WeakPolarHBondContact O-CG 3.47Å; S315-E319 PolarHBondContact O-N 3.16Å
316E63.9Low67.7Low109 Ų109125 Ų12551%0.50961%0.612SS.*Hα-helixtrans-58-50176.1-71165.1169.500111.1Q312 R318 E319 D320Q312-E316 WeakPolarHBondContact O-CG 3.4Å; Q312-E316 PolarHBondContact O-N 2.85Å; Q312-E316 VanDerWaalsContact O-N 3.14Å; E316-R318 PolarHBondContact O-N 3.21Å; E316-E319 PolarHBondContact O-N 3.27Å; E316-D320 WeakPolarHBondContact O-CB 3.37Å; E316-D320 PolarHBondContact O-N 2.92Å
317Q68.4Low66.9Low142 Ų142129.2 Ų129.266%0.66463%0.628SS**Hα-helixtrans-63.3-28.2175.9-75.7179.723.500114.3P313 S315 A321P313-Q317 WeakPolarHBondContact O-CB 3.3Å; P313-Q317 VanDerWaalsContact O-CG 3.22Å; P313-Q317 WeakPolarHBondContact O-CG 3.22Å; P313-Q317 PolarHBondContact O-N 2.82Å; S315-Q317 PolarHBondContact O-N 3.05Å; Q317-A321 WeakPolarHBondContact O-CB 3.5Å; Q317-A321 PolarHBondContact O-N 3.07Å
318R65.5Low65.8Low177 Ų177131.7 Ų131.767%0.66863%0.634SS**Hα-helixtrans-75.4-45.7176.9-170.5177.1-178.9-149.1-1.4109.3R314 S315 E316 A321 W322R314-R318 VanDerWaalsContact O-CB 3.31Å; R314-R318 WeakPolarHBondContact O-CB 3.31Å; R314-R318 PolarHBondContact O-N 3.16Å; R314-R318 VanDerWaalsContact O-N 3.16Å; S315-R318 WeakPolarHBondContact O-CB 3.39Å; S315-R318 PolarHBondContact O-N 2.85Å; E316-R318 PolarHBondContact O-N 3.21Å; R318-A321 WeakPolarHBondContact O-CB 3.33Å; R318-A321 PolarHBondContact O-N 3.48Å; R318-W322 PolarHBondContact O-N 2.95Å
319E62.5Low64.8Low124 Ų124129.2 Ų129.258%0.57963%0.633SS**Hα-helixtrans-62.1-45.5177.5-71.4172.2177.900111.2S315 E316 A321 W322 E323S315-E319 WeakPolarHBondContact O-CG 3.47Å; S315-E319 PolarHBondContact O-N 3.16Å; E316-E319 PolarHBondContact O-N 3.27Å; E319-A321 PolarHBondContact O-N 2.95Å; E319-W322 PolarHBondContact O-N 3.29Å; E319-E323 PolarHBondContact O-N 3.21Å
320D70.4Confident63.9Low110 Ų110128.9 Ų128.959%0.58863%0.634SS**Hα-helixtrans-58.2-33.5173.3-67.7-22.9000112.7E316 W322E316-D320 WeakPolarHBondContact O-CB 3.37Å; E316-D320 PolarHBondContact O-N 2.92Å; D320-W322 VanDerWaalsContact C-N 3.31Å
321A70.5Confident62.7Low76 Ų76127.5 Ų127.563%0.62863%0.632SS**Hα-helixtrans-76.3-15.4177.400000113.7Q317 R318 E319Q317-A321 WeakPolarHBondContact O-CB 3.5Å; Q317-A321 PolarHBondContact O-N 3.07Å; R318-A321 WeakPolarHBondContact O-CB 3.33Å; R318-A321 PolarHBondContact O-N 3.48Å; E319-A321 PolarHBondContact O-N 2.95Å
322W64.4Low61.6Low208 Ų208133.1 Ų133.179%0.78865%0.648SS**Hα-helixtrans-106.4-19.1176.8-69.8102.9000113.5R318 E319 D320R318-W322 PolarHBondContact O-N 2.95Å; E319-W322 PolarHBondContact O-N 3.29Å; D320-W322 VanDerWaalsContact C-N 3.31Å
323E55.5Low61.2Low161 Ų161135 Ų13575%0.75266%0.659SS**SBendtrans-84.7-5176.4-80.7-169.8162.600114.6E319 K325E319-E323 PolarHBondContact O-N 3.21Å; E323-K325 VanDerWaalsContact C-N 3.35Å; E323-K325 PolarHBondContact O-N 3.18Å
324G55.2Low61.1Low72 Ų72141.6 Ų141.674%0.74268%0.684SS**  trans-74.381.3171.500000112.4
325K39.3Very low61.2Low268 Ų268136.5 Ų136.5100%1.16568%0.678SS**  trans-143.50163.3-162.4157.4-176.3-178.20114.3E323E323-K325 VanDerWaalsContact C-N 3.35Å; E323-K325 PolarHBondContact O-N 3.18Å

Retrieved 325 of 325 residues in 183.6 ms (Link to these results)