A0A087XYR9_POEFO Loading...

Ubiquitin carboxyl-terminal hydrolase

Hydrolase that can specifically remove 'Lys-48'-linked conjugated ubiquitin from proteins. Has exodeubiquitinase activity and has a preference for long polyubiquitin chains. May play a regulatory role at the level of protein turnover.

AlphaFold DB , UniProt , Accession A0A087XYR9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 571 aa.

Structure Viewer
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(Predicted Aligned Error values between residue pairs)
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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
1M39Very low42.5Very low239 Ų239123.7 Ų123.7100%1.17781%0.805SS**  084.60-59.1171.7-176.200105.2
2A37.9Very low41.8Very low83 Ų83121.8 Ų121.869%0.68681%0.808SS**  cis75.2108.636.600000113.5
3E41.4Very low41.2Very low191 Ų191121.2 Ų121.289%0.89381%0.807SS**  trans64.9161.7149.8-67.9-173.893.300118.9
4S39.4Very low40.5Very low89 Ų89124.4 Ų124.462%0.62281%0.811SS**  cis-174.2163.9-22.7172.70000108
5S36.8Very low40Very low114 Ų114125.2 Ų125.280%0.79781%0.805SS**  trans68.9159.1160.1-64.80000117.5
6A39.4Very low39.6Very low88 Ų88127.1 Ų127.173%0.72780%0.804SS**  cis-157.8167.2-8.500000110.7
7P62.2Low39Very low118 Ų118123.9 Ų123.977%0.76680%0.802SS**  trans-94-179.6-175.841.8-39.1000113.4
8P52.9Low38.8Very low126 Ų126127.2 Ų127.282%0.81880%0.804SS**  -136.3-162.584.841.5-26.1000111.2
9A32.7Very low38.3Very low96 Ų96126.5 Ų126.579%0.79380%0.803SS**  cis-155.1174.7800000112.3
10A33.6Very low38.1Very low96 Ų96129.6 Ų129.679%0.79380%0.804SS**  trans-155.9-172.6168.300000108.5
11P52.3Low37.8Very low121 Ų121132.8 Ų132.879%0.78681%0.81SS**  cis-127.1178.7-22.240.6-26.3000113
12A34.2Very low37.5Very low101 Ų101129.8 Ų129.884%0.83579%0.793SS**  trans-156.8135.5157.400000112.2
13S34.2Very low37.3Very low113 Ų113130.8 Ų130.879%0.7980%0.801SS**  trans-142141.3179.2-54.70000110.9
14L31Very low36.8Very low167 Ų167126.5 Ų126.587%0.87479%0.792SS**  trans165.6148.5160.8-90.6145.8000107.3
15L33.5Very low36.6Very low136 Ų136130.8 Ų130.871%0.71281%0.807SS**  cis168.5125.9-40.1-101.6166.9000106.5
16I33.8Very low36.3Very low155 Ų155132.9 Ų132.980%0.79581%0.81SS**  trans70.1129152.9-57.9167.3000119.9
17G28.9Very low35.9Very low74 Ų74135 Ų13576%0.76381%0.814SS**  trans-169.8128.4159.400000110.8
18H35.2Very low34.6Very low183 Ų183139 Ų13985%0.84782%0.822SS**  trans-112.9163-169.7-101.8-98.3000114.1
19S29.8Very low33.8Very low113 Ų113140.6 Ų140.679%0.7982%0.822SS**  trans106.3130.1163.5-460000114.2
20K33.6Very low33.6Very low189 Ų189147 Ų14782%0.82283%0.826SS**  cis106.6102.220.1-176.7-159175.7-172.70112.1
21E32.8Very low33.5Very low197 Ų197146.9 Ų146.992%0.92182%0.819SS**  trans-159.1168.8145.2-125.2172.4155.500111.5
22E32.7Very low32.7Very low175 Ų175150.5 Ų150.582%0.81882%0.823SS**  trans-111.8160.9-167.1-58.6178.4142.700112.9
23A33.7Very low32.4Very low105 Ų105155.1 Ų155.187%0.86883%0.827SS**  trans-151.896.6163.200000111.5
24S30.2Very low32.4Very low100 Ų100157.9 Ų157.970%0.69983%0.829SS**  trans-97.2138.8175.8-57.50000111.5
25L35Very low32.4Very low180 Ų180156.9 Ų156.994%0.94283%0.825SS**  trans-136.7124.3160.1-77.8178.7000109.9
26N30.8Very low32.2Very low158 Ų158156.7 Ų156.785%0.84583%0.825SS**PPolyproline II helixtrans-93.9155.6-178.5-79.4-23.4000112.1
27T31.4Very low32Very low133 Ų133153.3 Ų153.382%0.81682%0.815SS**PPolyproline II helixtrans-68.8144.1158.831.10000111.5
28E33.7Very low32.2Very low200 Ų200155.8 Ų155.894%0.93582%0.815SS**PPolyproline II helixtrans-100.7149.3162.8-85.9-163.6118.100111.2
29I35.8Very low32Very low160 Ų160154.1 Ų154.182%0.82181%0.811SS**  trans-126.6138.9177.8-63.7170.7000107.8
30R29.9Very low32.1Very low232 Ų232154.7 Ų154.788%0.87581%0.81SS**  trans-150.4117.8165.7-158.8163.5-175.7159.31.1115.4
31S31.9Very low31.9Very low93 Ų93153.8 Ų153.865%0.6581%0.814SS**  trans48.3118150.8-57.40000119.7
32K33.7Very low31.8Very low197 Ų197147.3 Ų147.386%0.85780%0.8SS**  59.9116.975.3-79.2-167.9170.1-169.80114.5
33E29.9Very low31.8Very low197 Ų197144 Ų14492%0.92180%0.797SS**  -161.1173.892.5-103.6179.8164.100111.6
34M33.6Very low31.8Very low171 Ų171144.2 Ų144.284%0.84278%0.783SS**  trans-154.9142.7-169.9-177.8173.68000109.6
35N29.5Very low31.9Very low147 Ų147149.2 Ų149.279%0.78679%0.787SS**  trans145.8153.5166-84.76.9000110.6
36D29.9Very low31.7Very low132 Ų132148.8 Ų148.871%0.70678%0.78SS**  cis-166.3164.5-20.3-17527.3000109.8
37S31Very low31.7Very low84 Ų84145.2 Ų145.259%0.58777%0.772SS**  trans50.4127.2146.855.90000124.9
38V31.5Very low31.7Very low125 Ų125147.5 Ų147.576%0.75877%0.771SS**  94106.5121.8162.10000122.9
39L31.7Very low31.7Very low148 Ų148144.6 Ų144.678%0.77577%0.766SS**  trans73.4140.1132.2-65.5-178.9000126.4
40T31.2Very low31.5Very low125 Ų125144 Ų14477%0.76776%0.76SS**  trans83.7113139.639.20000124.6
41D29.5Very low31.4Very low171 Ų171139.6 Ų139.691%0.91475%0.754SS**  81.3160125.8-158.927.7000121.1
42G30.4Very low31.4Very low61 Ų61142.6 Ų142.663%0.62976%0.761SS**  trans13327.6148.800000124.5
43S33.5Very low31.2Very low106 Ų106138.4 Ų138.474%0.74176%0.757SS**  trans47.2153.1152.2-138.10000125.9
44D32.8Very low31.2Very low108 Ų108134.7 Ų134.758%0.57875%0.753SS**  trans66.1119.2146.9-73.3-60000125.5
45R33.5Very low30.9Very low206 Ų206135.2 Ų135.278%0.77775%0.75SS**  trans66.5161.2131.8-58.4175.9-156.5-154.32.9118.9
46E30.8Very low31.1Very low171 Ų171136.5 Ų136.580%0.79975%0.751SS**  cis-156.8-171.314.7-148.4162.2-14100113.1
47A31.1Very low32Very low82 Ų82134.2 Ų134.268%0.67874%0.744SS**  trans76.374.7148.600000122.5
48K31Very low32.4Very low181 Ų181138 Ų13879%0.78775%0.752SS**  trans-14.8133.4136173.7-173.6179.1-179.40117.9
49V33.5Very low32.9Very low140 Ų140140 Ų14085%0.84875%0.753SS**  trans-137154.7161179.80000110.7
50Q32.7Very low33Very low146 Ų146141.2 Ų141.268%0.68276%0.76SS**  trans-123.1139.7-176.5-56.8164.5-94.400111.6
51N26.9Very low33.6Very low140 Ų140142.7 Ų142.775%0.74976%0.764SS**  173.9116.6112.3-102.21.1000116.7
52I32.2Very low33.9Very low157 Ų157143 Ų14381%0.80576%0.76SS**  trans3.4131.6142.321.9172.5000123.8
53S29.6Very low34.1Very low109 Ų109144.2 Ų144.276%0.76276%0.764SS**  101.6109.5118-161.80000122.1
54S28.7Very low34.1Very low119 Ų119145.1 Ų145.183%0.83277%0.765SS**  trans-178.3150.8148.4-79.60000110.3
55K28.7Very low34.7Very low182 Ų182145.9 Ų145.979%0.79178%0.776SS**  cis-166.6132.6-22.3-174-119.4171.6-141.60109.8
56E32Very low34.8Very low173 Ų173142.2 Ų142.281%0.80878%0.776SS**  trans-83.5-178.1174.5-71.3177.2139.200111.9
57P49.1Very low36.1Very low84 Ų84139.5 Ų139.555%0.54577%0.774SS.*  cis-141.4-168.911.847.3-27.7000116.2
58E39.2Very low37.3Very low165 Ų165140.7 Ų140.777%0.77177%0.774SS**  trans27.8160.9130.7-64.9160.9173.100121.2
59E42.5Very low37.1Very low166 Ų166140.7 Ų140.778%0.77678%0.777SS**  cis-161.7-178.9-0.8-125.5175.4175.700108.6
60D34.2Very low36.9Very low173 Ų173139.2 Ų139.293%0.92577%0.773SS**  trans173.6165.7133.1-98.7-28.4000114.8
61D43.8Very low37Very low157 Ų157137.9 Ų137.984%0.8478%0.78SS**  trans-122.2-174.2-156.2-145.2-23.4000114.5
62E35.7Very low37.8Very low178 Ų178136.7 Ų136.783%0.83278%0.78SS**  158.1114.3127.6-169.7162.3-17500118.6
63A35.5Very low37.7Very low86 Ų86133.9 Ų133.971%0.71177%0.774SS**  trans60.5159.8140.900000126.6
64T32.6Very low37.7Very low125 Ų125136.3 Ų136.377%0.76778%0.778SS**  trans-124.2167.4-176.9-24.20000111.4
65P46.2Very low37.9Very low124 Ų124136 Ų13681%0.80578%0.775SS**  -153.4179.9103.538.2-18.7000117.3
66T35.3Very low38.2Very low128 Ų128135.3 Ų135.379%0.78578%0.775SS**  trans-137.4-173.1-179.2270000110.7
67P58.6Low38.3Very low115 Ų115135 Ų13575%0.74778%0.779SS**  cis-116.8-117.7-12.921.26.4000109.3
68P54.9Low37.6Very low107 Ų107139.2 Ų139.270%0.69579%0.791SS**  cis-140.9-179.2-27.642-22.3000118.3
69E28.4Very low37.2Very low180 Ų180136.9 Ų136.984%0.84179%0.789SS**  trans84.3138.3149.1-63.9-131.412100125.6
70S28.9Very low36.6Very low109 Ų109136.7 Ų136.776%0.76279%0.789SS**  trans81.7135.1150.3-67.90000123.7
71S33.2Very low36.4Very low118 Ų118134 Ų13483%0.82578%0.779SS**  trans-99.3-173.2171.4-30.70000110.6
72P45.6Very low35.7Very low116 Ų116133.7 Ų133.775%0.75378%0.776SS**  cis-153.7-158.834.743.9-19.2000117.9
73S29.4Very low35.3Very low98 Ų98129.6 Ų129.669%0.68577%0.773SS**  trans76.5102.5145.461.70000124.4
74L30.3Very low35Very low160 Ų160131.7 Ų131.784%0.83878%0.777SS**  38.2123.6113.9-62.5172.1000123.2
75S32.9Very low35Very low111 Ų111132.2 Ų132.278%0.77678%0.78SS**  -167.7109.7124.353.50000108.9
76E34.2Very low34.4Very low169 Ų169136 Ų13679%0.7979%0.787SS**  60.9108.378.2-68.2-166.9141.700115.7
77N34.8Very low34.3Very low166 Ų166137.2 Ų137.289%0.88879%0.789SS**  trans-160148.1133.7-103.2-21000111.1
78E32.7Very low33.2Very low173 Ų173139.5 Ų139.581%0.80879%0.79SS**  trans-79.8139.8-160.2-68.1-177.2100.200115
79T30.9Very low32.1Very low116 Ų116140 Ų14071%0.71279%0.79SS**  79.3136.298.1-550000114
80M30.2Very low32.2Very low161 Ų161138.3 Ų138.379%0.79379%0.787SS**  cis-142.1139.217.6-137.2156.7-178.800108.7
81T30.3Very low32.3Very low116 Ų116137.9 Ų137.971%0.71278%0.783SS**  51.1131.993.2-21.30000113.5
82I29.3Very low32.1Very low152 Ų152137.9 Ų137.978%0.77978%0.778SS**  cis-138.4138.343.6-62156.5000113.1T84I82-T84 HydrophobicContact CG2-CG2 4.23Å
83A27.1Very low31.4Very low92 Ų92139.5 Ų139.576%0.7678%0.776SS**  trans-140.7143.1150.700000108
84T28.5Very low31.3Very low129 Ų129141.9 Ų141.979%0.79178%0.78SS**  trans-119.8111.7-179.850.90000110.9I82I82-T84 HydrophobicContact CG2-CG2 4.23Å
85T34.1Very low31.5Very low136 Ų136143.4 Ų143.483%0.83478%0.775SS**  trans-137.9122.9167.750.20000107.3
86E32.4Very low31.4Very low205 Ų205146 Ų14696%0.95877%0.774SS**  trans-130.7140.6170.2-67.6-173.3169.700108.1
87D34.5Very low31.3Very low153 Ų153145.2 Ų145.282%0.81877%0.774SS**  trans-144.7156.7-173.6-162.9-0.1000109.5
88E35.6Very low31.1Very low163 Ų163144.9 Ų144.976%0.76276%0.764SS**  trans55.7138.8179.5-56.3-157.186.400117.4
89T30.8Very low30.9Very low116 Ų116141.8 Ų141.871%0.71276%0.757SS**  -176.7152.27222.70000114.9
90L30.7Very low30.7Very low146 Ų146143.7 Ų143.776%0.76476%0.758SS**  trans74.599.6143.7-65.7164.7000124
91S30Very low30.6Very low99 Ų99140 Ų14069%0.69276%0.761SS**  75.3135.9116.4-53.60000124.6
92V29.6Very low30.5Very low119 Ų119138 Ų13872%0.72176%0.764SS**  156.1118.5117.5162.30000114.8
93Q30.6Very low30.5Very low150 Ų150136.3 Ų136.370%0.70177%0.773SS**  trans50.8139.9152.1-62.7175.461.700121.3
94L28.7Very low30.5Very low147 Ų147135.7 Ų135.777%0.7778%0.775SS**  -164.8126.962.9-125.7115.4000116.4
95R33.3Very low30.6Very low192 Ų192141.6 Ų141.673%0.72578%0.783SS**  trans28.8134.6146-57.9-173.8-171.1177.93.6125.7
96H31.6Very low30.2Very low166 Ų166138.6 Ų138.677%0.76978%0.779SS**  trans73.6145.5142.6-71.9-44.5000119.5
97I31Very low30.1Very low152 Ų152133.8 Ų133.878%0.77978%0.775SS**  cis-142.1163.717-119.4145.3000113.7
98K30.5Very low30Very low159 Ų159135 Ų13569%0.69178%0.776SS**  trans-37.2155.3168.2-127.6-163.9163.5-167.60115E100K98-E100 WeakPolarHBondContact CE-OE2 3.45Å; K98-E100 IonicContact NZ-OE2 3.68Å
99T28.4Very low30.3Very low108 Ų108133.1 Ų133.166%0.66378%0.777SS**  -165.716751.6-43.70000113.8
100E28.3Very low30.5Very low156 Ų156131.4 Ų131.473%0.72978%0.775SS**  trans-47.2162165.7-55.4120.6114.100113.6K98K98-E100 WeakPolarHBondContact CE-OE2 3.45Å; K98-E100 IonicContact NZ-OE2 3.68Å
101G28Very low31.3Very low83 Ų83130.5 Ų130.586%0.85678%0.778SS**  cis159.1173.4800000107.5
102G27.3Very low31.5Very low75 Ų75132.9 Ų132.977%0.77378%0.783SS**  cis167.8130.6-5.500000110.3
103A29.7Very low32.6Very low116 Ų116131.9 Ų131.996%0.95978%0.779SS**  trans56.8141168.200000121.1
104G27.7Very low32.6Very low79 Ų79131.4 Ų131.481%0.81478%0.781SS**  trans160.682159.300000118.9
105R29.4Very low32.9Very low254 Ų254131.6 Ų131.696%0.95878%0.782SS**  trans-13.8125162.2-72168.4153.8-118.5-1.4119.1
106G26.4Very low32.9Very low73 Ų73130.6 Ų130.675%0.75379%0.785SS**  97.1169.3104.300000120.6
107A29.7Very low32.9Very low104 Ų104131.1 Ų131.186%0.8679%0.788SS**  trans76.6119.717400000118.9
108E33.5Very low33.1Very low179 Ų179129.4 Ų129.484%0.83679%0.79SS**  trans-50.1155.2147.1-84.2-142.5128.300112.3
109P42Very low33.1Very low122 Ų122127.1 Ų127.179%0.79279%0.794SS**  -149.2167.366.342.7-23.9000118.6
110A34.2Very low33.2Very low80 Ų80127.8 Ų127.866%0.66180%0.803SS**  trans-73162.7158.100000111
111P47.6Very low33.1Very low128 Ų128124.2 Ų124.283%0.83181%0.807SS**  -144.7168.175.940.1-23.3000116.7
112D34.1Very low33.3Very low149 Ų149129 Ų12980%0.79781%0.81SS**  trans-59.3174.1158.4-82.1-52.1000113.2
113P53.7Low33.4Very low98 Ų98132.6 Ų132.664%0.63682%0.817SS**  cis-146.1-162.224.941.5-18.9000117.6
114D29.2Very low33.5Very low139 Ų139133.6 Ų133.674%0.74381%0.811SS**  trans83.9102.3142.1-80.5-1.7000121
115L35.1Very low33.5Very low151 Ų151134 Ų13479%0.79181%0.807SS**  168.6135.399.9-86.9168.3000116.4
116E33.7Very low33.3Very low172 Ų172128.9 Ų128.980%0.80480%0.798SS**  trans65.1136145.1-58.9-6187.900125.1
117E32.4Very low33.6Very low177 Ų177129.6 Ų129.683%0.82779%0.792SS**  trans-81.4157161.1-56.4175.771.700112.5
118S33.3Very low33.5Very low116 Ų116132.1 Ų132.181%0.81179%0.791SS**  169.4125.6118.6-81.60000115.7
119S30.9Very low33.4Very low111 Ų111132.2 Ų132.278%0.77679%0.791SS**  trans36.8117.2136.1-168.70000121.2
120S31.1Very low32.9Very low122 Ų122134 Ų13485%0.85379%0.789SS**  162.7158.8101.854.30000113.9
121G27.2Very low32.8Very low80 Ų80139.7 Ų139.783%0.82579%0.793SS**  trans120.995157.800000117.5
122M31.1Very low31.9Very low185 Ų185142.6 Ų142.691%0.91180%0.795SS**  trans-88.5137.3165.2-69.8154.450.800111.4
123T30.4Very low31.7Very low149 Ų149140 Ų14091%0.91479%0.789SS**  trans-152.1168.4150.122.70000110
124V30.3Very low30.6Very low138 Ų138140.4 Ų140.484%0.83679%0.794SS**  trans-131.1158.1-159.6178.20000111.7
125A28.2Very low30.5Very low88 Ų88140.3 Ų140.373%0.72779%0.794SS**  trans81.3154.6171.200000115.7
126D26.1Very low30.5Very low145 Ų145139 Ų13978%0.77580%0.797SS**  cis-154.5159.66.3-149-18.7000113.9
127S31.3Very low30.3Very low89 Ų89134.9 Ų134.962%0.62279%0.792SS**  trans66.9146.9145.2-74.30000125.9
128D28.5Very low30.1Very low156 Ų156131.6 Ų131.683%0.83479%0.789SS**  trans72.8102.8151-65.4-21.2000122.9
129E31.6Very low29.8Very low182 Ų182135 Ų13585%0.8579%0.79SS**  trans-78.3139.6149.3-56.1175.18900110.8
130H30.3Very low29.8Very low158 Ų158135 Ų13573%0.73179%0.789SS**  trans-158.9117.2147.6-111.738.2000114.8
131R31.6Very low29.7Very low200 Ų200136.8 Ų136.876%0.75579%0.788SS**  trans47.5124.7143-63.5-173.2166.297.52.5121.6
132E30Very low29.9Very low189 Ų189137.9 Ų137.988%0.88378%0.781SS**  158.3152.7121.7-87.5175.817500109.3
133S30.2Very low29.8Very low94 Ų94135 Ų13566%0.65778%0.778SS**  cis-173.7145.6-28.954.20000109.1
134S30.6Very low29.8Very low107 Ų107135.7 Ų135.775%0.74878%0.776SS**  trans62.8161.5165.6-74.30000117
135D27.1Very low29.6Very low137 Ų137137 Ų13773%0.73378%0.778SS**  cis-160.9146.4-25.7-110.4-53.5000108
136S33.8Very low29.7Very low124 Ų124141.2 Ų141.287%0.86779%0.787SS**  trans-168.7122.5154.3-880000113.4
137A30.2Very low29.8Very low85 Ų85140.3 Ų140.370%0.70279%0.792SS**  trans-42.4131.1-176.400000117.2F139A137-F139 HydrophobicContact CB-CD2 4.48Å; A137-F139 HydrophobicContact CB-CE2 4.23Å
138S28.8Very low29.7Very low108 Ų108143.8 Ų143.876%0.75580%0.804SS**  trans-92.8139.9152.4-176.50000109.6
139F27.1Very low29.6Very low189 Ų189139.3 Ų139.383%0.82980%0.795SS**  trans-110.4120.5173.2-85.7-84.9000110.2A137A137-F139 HydrophobicContact CB-CD2 4.48Å; A137-F139 HydrophobicContact CB-CE2 4.23Å
140S29.7Very low29.6Very low109 Ų109136.7 Ų136.776%0.76279%0.791SS**  trans-120.2131.5176.6-54.20000110.7
141I30.7Very low29.6Very low160 Ų160134.4 Ų134.482%0.82179%0.788SS**  trans-143.8155.31681.8179.2000107.6
142P29.5Very low29.6Very low104 Ų104130.8 Ų130.868%0.67579%0.789SS**  -119.1152.6-97.736.3-25000113.8
143S29.4Very low29.8Very low124 Ų124128 Ų12887%0.86779%0.785SS**  trans-61.6139.8163-51.40000110.5
144L30.1Very low29.7Very low163 Ų163126.6 Ų126.685%0.85378%0.784SS**  trans-111.8136166.8-72175.6000109.1
145D27.2Very low29.8Very low166 Ų166130 Ų13089%0.88879%0.794SS**PPolyproline II helixtrans-68146.7-174.5-75.2-57.7000113.6
146L29.2Very low29.9Very low176 Ų176128 Ų12892%0.92179%0.791SS**PPolyproline II helixtrans-77.4136.7162.1-67.7167.3000109.4
147S28.5Very low29.8Very low126 Ų126129.6 Ų129.688%0.88179%0.789SS**PPolyproline II helixtrans-95.7118166.3-175.80000109.8
148D30.1Very low29.9Very low162 Ų162131.9 Ų131.987%0.86679%0.79SS**PPolyproline II helixtrans-69.3158180-131.2-37.5000113.4
149G26.7Very low30.1Very low62 Ų62133.8 Ų133.864%0.63979%0.79SS**  trans179.544.2-171.800000122.2
150V31.1Very low30.4Very low127 Ų127133.5 Ų133.577%0.7779%0.791SS**  trans54.1121.8135165.70000118.3
151T31.1Very low30.5Very low111 Ų111135.6 Ų135.668%0.68179%0.794SS**  cis-175.3165.514.618.80000111.3
152T30.9Very low30.4Very low124 Ų124131.2 Ų131.276%0.76179%0.788SS**  trans66.8129.3147.4-66.40000117.4
153T33.5Very low30.4Very low131 Ų131134.1 Ų134.180%0.80480%0.797SS**  cis-157.7157-2.819.50000105.6
154G29Very low30.4Very low63 Ų63134 Ų13465%0.64980%0.796SS**  cis123105.614.500000110.5
155N32.2Very low30.3Very low179 Ų179131.9 Ų131.996%0.95780%0.795SS**  trans-169.2158.2152.5-108.90.5000111.4
156S28.5Very low30.5Very low95 Ų95128.5 Ų128.566%0.66479%0.79SS**  trans-104.9148.9-179.4177.70000110.8
157L32.8Very low30.3Very low157 Ų157126.1 Ų126.182%0.82279%0.787SS**  177.4155.1115.9-92.4166000112.2
158D31.5Very low30.4Very low134 Ų134126.2 Ų126.272%0.71779%0.788SS**  trans-69.4161.3174.1-41.3-105.9000112.6
159I34.3Very low30.3Very low148 Ų148123.1 Ų123.176%0.75979%0.785SS**  -176.4119.8127-98.3164.5000113.2
160E33.4Very low30.9Very low182 Ų182126.3 Ų126.385%0.8579%0.794SS**  trans61.1153.9139-55.7-180136.400124.5
161D32Very low30.8Very low154 Ų154124.1 Ų124.182%0.82480%0.797SS**  trans-86.1164.4178.1-170.8-3.4000111
162G26.8Very low30.8Very low68 Ų68125.7 Ų125.770%0.70181%0.806SS**  trans178.144.7-173.800000117.9
163L30.7Very low30.7Very low164 Ų164129.2 Ų129.286%0.85981%0.814SS**  trans-61.5139.9167.8-68.4175.2000111.6
164S28.6Very low30.4Very low122 Ų122126.7 Ų126.785%0.85381%0.814SS**  trans-152.497.6169.2-81.30000112.1
165S29.2Very low30.2Very low119 Ų119127.3 Ų127.383%0.83282%0.82SS**  trans-84.8147162.6-179.20000110
166A29.7Very low30.1Very low95 Ų95124.4 Ų124.479%0.78581%0.814SS**  trans-143.899.6178.500000111.7
167C26.7Very low30.8Very low126 Ų126125.4 Ų125.485%0.85182%0.818SS**  trans-111.5127.6163.2-66.20000109.3
168S30.9Very low30.5Very low128 Ų128123.4 Ų123.490%0.89582%0.818SS**  trans-87.3137.8-171.7-58.10000113.4
169A26.8Very low30.3Very low97 Ų97121.3 Ų121.380%0.80282%0.818SS**  trans-128.6136.9170.800000111.1
170P40.5Very low29.9Very low128 Ų128123.4 Ų123.483%0.83183%0.825SS**  trans-99.9125.4-176.435-31.7000115
171G27.2Very low29.7Very low82 Ų82119.2 Ų119.285%0.84582%0.822SS**  trans47122.7136.600000121.9
172V31.1Very low29.9Very low143 Ų143118.2 Ų118.287%0.86782%0.824SS**  trans-118.3129167.8171.20000111.3
173E30Very low29.8Very low199 Ų199118.1 Ų118.193%0.9382%0.823SS**  trans-146.9149.7146.6-70.7-159.8132.300107.4
174G27.5Very low29.7Very low78 Ų78118.1 Ų118.180%0.80482%0.823SS**  cis155.397.5-400000111.2
175G24.2Very low29.6Very low75 Ų75121.6 Ų121.677%0.77382%0.823SS**  trans167.6140.4175.300000116.8
176S30.6Very low29.6Very low119 Ų119119.3 Ų119.383%0.83281%0.811SS**  trans-154.3158.2167.6-51.50000107.3
177P41.6Very low29.5Very low115 Ų115121.8 Ų121.875%0.74781%0.811SS**  -153.116878.841-22.2000117.6
178S26.5Very low29.6Very low116 Ų116124.3 Ų124.381%0.81181%0.81SS**  trans67.9111.3143.4-70.10000122.6
179A29Very low29.4Very low89 Ų89122.6 Ų122.674%0.73680%0.804SS**  118148.1106.600000120.4
180E25.4Very low29.5Very low192 Ų192126.3 Ų126.390%0.89781%0.809SS**  trans63.4114.3163.8-67.7-178.3105.100120.9
181A29.5Very low28.9Very low95 Ų95127.7 Ų127.779%0.78580%0.804SS**  trans-103.1147.2148.300000108
182P36.3Very low29.5Very low133 Ų133129.3 Ų129.386%0.86480%0.8SS**  -137.5-176.377.228.8-8.1000112.4
183G23.5Very low29.3Very low66 Ų66126.8 Ų126.868%0.6879%0.794SS**  cis140.1142.7-4.900000113
184L28.7Very low29.2Very low163 Ų163121.3 Ų121.385%0.85379%0.791SS**  trans81124.4170.6-55.5176.3000120.6
185K27.2Very low29Very low196 Ų196121.4 Ų121.485%0.85279%0.792SS**  trans66.8162.6146.3-67.5-177.4178.8-1690119.5
186A28.2Very low29.2Very low71 Ų71122.3 Ų122.359%0.58779%0.792SS**  cis-176.4168.9-32.600000108.6
187D28Very low29.1Very low147 Ų147123.2 Ų123.279%0.78679%0.792SS**  trans76125.7157-56.1-41.2000122
188E29Very low28.4Very low179 Ų179122.6 Ų122.684%0.83680%0.797SS**  trans57101.7140.2-58.3-165.9112.100123.2
189A27.4Very low28.6Very low92 Ų92122.1 Ų122.176%0.7680%0.8SS**  27.9127.8120.400000121.5
190L28.1Very low28.5Very low174 Ų174123 Ų12391%0.91181%0.808SS**  -170.2123.4126.5-104.6158.1000112.9
191E28.4Very low28.7Very low157 Ų157118.3 Ų118.373%0.73480%0.802SS**  trans-71.5148.1153.4-95.1-69.3138.500108.7A193E191-A193 PolarHBondContact OE2-N 2.72Å
192P39.6Very low28.7Very low117 Ų117120.8 Ų120.876%0.7681%0.807SS**  -151.7143.673.238.3-18000118.7
193A27.3Very low28.5Very low90 Ų90120.5 Ų120.574%0.74480%0.802SS**  trans41.5122.1130.400000121.3E191E191-A193 PolarHBondContact OE2-N 2.72Å
194G26.3Very low28.9Very low84 Ų84122.9 Ų122.987%0.86681%0.805SS**  trans172.998.6161.100000113.6
195G25.3Very low28.9Very low79 Ų79119.9 Ų119.981%0.81480%0.804SS**  trans-86.5156.8-174.600000115.2
196A27.5Very low29Very low95 Ų95115 Ų11579%0.78580%0.801SS**  165.3152.8119.700000114.6
197V28.5Very low29.2Very low137 Ų137116.3 Ų116.383%0.8381%0.811SS**  trans50.793162.1-79.20000121.7
198A27.2Very low29.4Very low102 Ų102114 Ų11484%0.84381%0.812SS**  57.8115.1111.300000122
199A30.2Very low29.7Very low107 Ų107109.6 Ų109.688%0.88481%0.807SS**  trans-142.1143.4135.800000108.8
200A26.7Very low30Very low108 Ų108109.8 Ų109.889%0.89381%0.808SS**  trans-94.8137.8-174.300000112.6
201A29.7Very low30.4Very low93 Ų93109.7 Ų109.777%0.76980%0.803SS**  trans-129.4135.9164.900000108.7
202V28.9Very low31.1Very low146 Ų146108 Ų10889%0.88581%0.806SS**  trans-87.5128.2-174.1178.20000110.2
203V32.6Very low30.8Very low128 Ų128105 Ų10578%0.77680%0.797SS**  trans-112.3134167.8-172.60000107.4
204P32Very low31.4Very low115 Ų115106.9 Ų106.975%0.74780%0.801SS**PPolyproline II helixtrans-65.4156.4-177.427.3-35.3000112.1A206P204-A206 PolarHBondContact O-N 2.85Å
205A28.2Very low32.5Very low100 Ų100107.9 Ų107.983%0.82680%0.795SS**PPolyproline II helixtrans-57.8130.8-177.200000111.7A207A205-A207 PolarHBondContact O-N 3.28Å
206A30Very low33.5Very low94 Ų94111.8 Ų111.878%0.77779%0.794SS**PPolyproline II helixtrans-57.8132.1163.200000108.5P204 A208P204-A206 PolarHBondContact O-N 2.85Å; A206-A208 PolarHBondContact O-N 3.44Å
207A31.3Very low35.1Very low98 Ų98109.3 Ų109.381%0.8177%0.77SS**PPolyproline II helixtrans-59.3123.8168.500000107.6A205 A209A205-A207 PolarHBondContact O-N 3.28Å; A207-A209 PolarHBondContact O-N 3.04Å; A207-A209 VanDerWaalsContact O-N 3.08Å
208A33.4Very low37.4Very low98 Ų98105.1 Ų105.181%0.8175%0.75SS**PPolyproline II helixtrans-58.8118.9173.500000107.6A206 A210A206-A208 PolarHBondContact O-N 3.44Å; A208-A210 PolarHBondContact O-N 2.97Å
209A35.8Very low40.3Very low88 Ų88106.7 Ų106.773%0.72774%0.735SS**PPolyproline II helixtrans-54.7128.8165.300000106.8A207 E211A207-A209 PolarHBondContact O-N 3.04Å; A207-A209 VanDerWaalsContact O-N 3.08Å; A209-E211 PolarHBondContact O-N 2.88Å; A209-E211 VanDerWaalsContact O-N 3.07Å
210A33.8Very low43.3Very low95 Ų95102.2 Ų102.279%0.78570%0.695SS**  trans-63.711617400000107.2A208A208-A210 PolarHBondContact O-N 2.97Å
211E36.1Very low46.5Very low172 Ų17299.5 Ų99.580%0.80467%0.665SS**  trans-45.8128.5165-67.7-75116.100107.6A209 G213A209-E211 PolarHBondContact O-N 2.88Å; A209-E211 VanDerWaalsContact O-N 3.07Å; E211-G213 PolarHBondContact O-N 2.93Å
212P42.4Very low49.6Very low121 Ų12195.5 Ų95.579%0.78663%0.631SS**  trans-60.2110.117225.4-31.7000107.2
213G34Very low52.8Low56 Ų5688.9 Ų88.958%0.57759%0.591SS**  trans-53.5146.7174.900000109.4E211 S215E211-G213 PolarHBondContact O-N 2.93Å; G213-S215 PolarHBondContact O-N 2.57Å
214P40Very low55.8Low128 Ų12885.6 Ų85.683%0.83157%0.565SS**  trans-51.1112.3-16820.5-33.4000110M216P214-M216 PolarHBondContact O-N 3.32Å
215S48.6Very low58.8Low106 Ų10680.3 Ų80.374%0.74153%0.53SS*.  trans-60.3113.9-178.7500000107.7G213 P217G213-S215 PolarHBondContact O-N 2.57Å; S215-P217 WeakPolarHBondContact O-CD 3.19Å
216M46.6Very low62Low160 Ų16078.5 Ų78.579%0.78851%0.509SS*.  trans-51.6115.1171.8-69.3-71-71.700106.7P214 A218P214-M216 PolarHBondContact O-N 3.32Å; M216-A218 PolarHBondContact O-N 2.92Å
217P60.1Low65.1Low43 Ų4374.2 Ų74.228%0.27947%0.472SS..  trans-62137.2-167.823-32.8000109S215 Y219S215-P217 WeakPolarHBondContact O-CD 3.19Å; P217-Y219 HydrophobicContact CG-CE1 4.37Å; P217-Y219 HydrophobicContact CG-CE2 3.99Å; P217-Y219 WeakPolarHBondContact O-CD2 3.27Å; P217-Y219 VanDerWaalsContact O-CE2 3.31Å; P217-Y219 WeakPolarHBondContact O-CE2 3.33Å; P217-Y219 PolarHBondContact O-N 3.12Å
218A78.6Confident68Low50 Ų5074.9 Ų74.941%0.41346%0.457SS..  trans-66.9113.7-177.800000109.4M216 Y220 T269M216-A218 PolarHBondContact O-N 2.92Å; A218-Y220 WeakPolarHBondContact CB-OH 3.44Å; A218-T269 WeakPolarHBondContact CB-OG1 3.47Å; A218-T269 PolarHBondContact O-N 3.17Å; A218-T269 PolarHBondContact O-OG1 2.92Å
219Y88Confident70.7Confident134 Ų13479.3 Ų79.353%0.52546%0.461SS..EExtended strand (participates in β ladder)trans-96.6142.6178.7-63.6-78.1000110P217 V266 V267 T268P217-Y219 HydrophobicContact CG-CE1 4.37Å; P217-Y219 HydrophobicContact CG-CE2 3.99Å; P217-Y219 WeakPolarHBondContact O-CD2 3.27Å; P217-Y219 VanDerWaalsContact O-CE2 3.31Å; P217-Y219 WeakPolarHBondContact O-CE2 3.33Å; P217-Y219 PolarHBondContact O-N 3.12Å; Y219-V266 HydrophobicContact CD1-CG1 3.74Å; Y219-V266 HydrophobicContact CG-CG1 4.1Å; Y219-V267 WeakPolarHBondContact CA-O 3.37Å; Y219-T268 HydrophobicContact CD1-CG2 3.61Å; Y219-T268 HydrophobicContact CE1-CG2 3.51Å
220Y92.3Very high73.5Confident14 Ų1480.6 Ų80.66%0.05545%0.45CS..EExtended strand (participates in β ladder)trans-125.2143.2176.6-50.7-68.9000110.2A218 V235 P242 L246 V266 V267 T269 L272A218-Y220 WeakPolarHBondContact CB-OH 3.44Å; Y220-V235 HydrophobicContact CD2-CG1 4.47Å; Y220-V235 HydrophobicContact CG-CG1 4.03Å; Y220-P242 HydrophobicContact CE1-CG 4.33Å; Y220-P242 WeakPolarHBondContact OH-CD 3.21Å; Y220-P242 WeakPolarHBondContact OH-CG 3.44Å; Y220-L246 HydrophobicContact CD1-CD2 4.35Å; Y220-L246 HydrophobicContact CD2-CD1 4.42Å; Y220-L246 HydrophobicContact CE1-CD1 4.49Å; Y220-L246 HydrophobicContact CE2-CD1 4.36Å; Y220-L246 HydrophobicContact CG-CD1 4.49Å; Y220-V266 WeakPolarHBondContact O-CA 3.02Å; Y220-V267 PolarHBondContact N-O 3.35Å; Y220-V267 PolarHBondContact O-N 3.44Å; Y220-T269 WeakPolarHBondContact CE2-OG1 3.43Å; Y220-T269 PolarHBondContact OH-OG1 3.44Å; Y220-T269 VanDerWaalsContact OH-OG1 3.11Å; Y220-L272 HydrophobicContact CD2-CD1 3.64Å; Y220-L272 HydrophobicContact CE2-CD1 4.01Å
221L93.8Very high76.4Confident50 Ų5080.9 Ų80.926%0.26243%0.434SS..EExtended strand (participates in β ladder)trans-87.5138.1-179.6-55.7-175.6000110.9T236 V266 Q443 L446L221-T236 PolarHBondContact O-N 3.02Å; L221-T236 PolarHBondContact O-OG1 2.94Å; L221-V266 HydrophobicContact CD2-CG1 4.46Å; L221-V266 HydrophobicContact CD2-CG2 3.85Å; L221-Q443 HydrophobicContact CD1-CG 4.09Å; L221-L446 HydrophobicContact CB-CD1 4.3Å; L221-L446 HydrophobicContact CB-CD2 3.84Å; L221-L446 HydrophobicContact CD1-CD2 3.51Å; L221-L446 HydrophobicContact CG-CD2 4.31Å
222V95.6Very high79.2Confident9 Ų972.8 Ų72.86%0.05540%0.396CS..EExtended strand (participates in β ladder)trans-103.7120.7-172.8-1800000110.2P233 I234 L260 T264 E265 V267V222-P233 HydrophobicContact CG1-CB 3.59Å; V222-I234 WeakPolarHBondContact CA-O 3.21Å; V222-L260 HydrophobicContact CG1-CD1 4.04Å; V222-L260 HydrophobicContact CG2-CD1 3.97Å; V222-T264 WeakPolarHBondContact CB-O 3.28Å; V222-T264 WeakPolarHBondContact CG1-O 3.49Å; V222-T264 HydrophobicContact CG2-CG2 4.27Å; V222-E265 PolarHBondContact N-O 3.14Å; V222-V267 HydrophobicContact CG2-CB 4Å; V222-V267 HydrophobicContact CG2-CG1 3.72Å
223K95.5Very high81.8Confident7 Ų767.5 Ų67.53%0.0336%0.362CS..EExtended strand (participates in β ladder)trans-98.3128.7177.3-171.5175.6-177.3176.40110.3I225 I234 T236 F445 L446 E448 M451K223-I225 HydrophobicContact CD-CG2 4.45Å; K223-I225 HydrophobicContact CG-CG2 4.24Å; K223-I234 HydrophobicContact CB-CG1 3.9Å; K223-I234 HydrophobicContact CD-CD1 4.43Å; K223-I234 PolarHBondContact N-O 3.38Å; K223-I234 PolarHBondContact O-N 3.03Å; K223-T236 HydrophobicContact CB-CG2 4.09Å; K223-F445 WeakPolarHBondContact CE-O 3.44Å; K223-F445 PolarHBondContact NZ-O 2.95Å; K223-L446 HydrophobicContact CB-CD1 3.88Å; K223-L446 HydrophobicContact CG-CD1 4.36Å; K223-E448 VanDerWaalsContact CE-O 3.27Å; K223-E448 WeakPolarHBondContact CE-O 3.31Å; K223-E448 PolarHBondContact NZ-O 3.41Å; K223-M451 PolarHBondContact NZ-O 3.05Å
224W95.5Very high84.8Confident60 Ų6064.9 Ų64.923%0.22733%0.334CS..EExtended strand (participates in β ladder)trans-100.486.7-175.4-77.387.8000112.7K231 P233 P261 T264W224-K231 HydrophobicContact CE3-CB 4.23Å; W224-K231 WeakPolarHBondContact O-CD 3.41Å; W224-K231 PolarHBondContact O-NZ 3.3Å; W224-P233 HydrophobicContact CD2-CB 4.4Å; W224-P233 HydrophobicContact CE3-CB 4.44Å; W224-P233 HydrophobicContact CH2-CB 4.14Å; W224-P233 HydrophobicContact CH2-CG 4.14Å; W224-P233 HydrophobicContact CZ2-CB 4.06Å; W224-P233 HydrophobicContact CZ2-CG 4.5Å; W224-P233 HydrophobicContact CZ3-CB 4.33Å; W224-P233 HydrophobicContact CZ3-CG 4.34Å; W224-P261 WeakPolarHBondContact CH2-O 3.31Å; W224-P261 WeakPolarHBondContact CZ2-O 3.45Å; W224-T264 PolarHBondContact NE1-O 3.36Å
225I95.1Very high87.4Confident3 Ų358.8 Ų58.82%0.01530%0.295CS..EExtended strand (participates in β ladder)trans-82.2157.9-178.864.4163.2000112.4K223 W227 K231 T232 I234 L254 V452K223-I225 HydrophobicContact CD-CG2 4.45Å; K223-I225 HydrophobicContact CG-CG2 4.24Å; I225-W227 HydrophobicContact CD1-CB 3.99Å; I225-W227 HydrophobicContact CG1-CB 4.23Å; I225-W227 PolarHBondContact O-N 2.96Å; I225-K231 CarbonylContact O-C 3.59Å; I225-K231 VanDerWaalsContact O-CA 3.32Å; I225-K231 WeakPolarHBondContact O-CA 3.33Å; I225-T232 WeakPolarHBondContact CG1-O 3.46Å; I225-T232 PolarHBondContact N-O 3.12Å; I225-T232 VanDerWaalsContact N-O 3.08Å; I225-T232 PolarHBondContact O-N 2.8Å; I225-I234 HydrophobicContact CD1-CD1 4.43Å; I225-I234 HydrophobicContact CD1-CG2 3.87Å; I225-I234 HydrophobicContact CG1-CG2 4.2Å; I225-I234 HydrophobicContact CG2-CD1 3.89Å; I225-I234 HydrophobicContact CG2-CG1 4.21Å; I225-L254 HydrophobicContact CD1-CD2 3.82Å; I225-V452 HydrophobicContact CB-CG1 4.39Å; I225-V452 HydrophobicContact CB-CG2 4.28Å; I225-V452 HydrophobicContact CD1-CG1 3.66Å; I225-V452 HydrophobicContact CG2-CG1 4.03Å; I225-V452 HydrophobicContact CG2-CG2 3.68Å
226T94.9Very high89.6Confident63 Ų6353.8 Ų53.839%0.38726%0.26SS..EExtended strand (participates in β ladder)trans-94.572.3177.4-51.90000110K231 S468T226-K231 PolarHBondContact OG1-NZ 2.85Å; T226-S468 VanDerWaalsContact O-CB 3.25Å; T226-S468 WeakPolarHBondContact O-CB 3.37Å
227W95.2Very high91.7Very high3 Ų347.5 Ų47.51%0.01123%0.229CC..EExtended strand (participates in β ladder)trans-84.6118.5-176-179.6-124000111.8I225 E229 K230 T232 L254 I417 I430 W453 F470I225-W227 HydrophobicContact CD1-CB 3.99Å; I225-W227 HydrophobicContact CG1-CB 4.23Å; I225-W227 PolarHBondContact O-N 2.96Å; W227-E229 PolarHBondContact O-N 3.27Å; W227-K230 PolarHBondContact N-O 3.26Å; W227-K230 PolarHBondContact O-N 3.07Å; W227-T232 HydrophobicContact CB-CG2 4.48Å; W227-L254 HydrophobicContact CB-CD2 4.35Å; W227-L254 HydrophobicContact CD2-CD2 3.97Å; W227-L254 HydrophobicContact CG-CD2 3.8Å; W227-L254 PolarHBondContact NE1-O 2.95Å; W227-I417 HydrophobicContact CZ2-CD1 4.02Å; W227-I430 HydrophobicContact CH2-CD1 3.71Å; W227-I430 HydrophobicContact CZ2-CD1 4.09Å; W227-W453 HydrophobicContact CE3-CZ2 4.48Å; W227-W453 AromaticContact CH2-CZ2 3.88Å; W227-W453 HydrophobicContact CH2-CZ2 3.88Å; W227-W453 AromaticContact CZ3-CZ2 3.87Å; W227-W453 HydrophobicContact CZ3-CZ2 3.87Å; W227-W453 AromaticContact CZ3-NE1 3.68Å; W227-F470 HydrophobicContact CH2-CE2 4.08Å; W227-F470 AromaticContact CH2-CZ 3.9Å; W227-F470 HydrophobicContact CH2-CZ 3.9Å; W227-F470 AromaticContact CZ3-CE2 3.85Å; W227-F470 HydrophobicContact CZ3-CE2 3.85Å; W227-F470 AromaticContact CZ3-CZ 3.83Å; W227-F470 HydrophobicContact CZ3-CZ 3.83Å
228K92.3Very high92.8Very high113 Ų11348.4 Ų48.449%0.49124%0.236SC..THydrogen-bonded Turntrans47.957.8178.9-62.6178.5179177.20111.7K230 W256K228-K230 PolarHBondContact O-N 2.82Å; K228-K230 VanDerWaalsContact O-N 3.1Å; K228-W256 HydrophobicContact CB-CH2 3.88Å; K228-W256 HydrophobicContact CB-CZ2 4.06Å; K228-W256 HydrophobicContact CD-CH2 4.34Å
229E91.6Very high92.2Very high191 Ų19155 Ų5589%0.89326%0.258SS*.THydrogen-bonded Turntrans64.60.7-177.6-54177.5170.300116W227W227-E229 PolarHBondContact O-N 3.27Å
230K93.6Very high91.1Very high114 Ų11455.7 Ų55.750%0.49627%0.271SS..EExtended strand (participates in β ladder)trans-119.4128.6-176.1-63.1176.4-167.5164.30111.8W227 K228 T232 W256W227-K230 PolarHBondContact N-O 3.26Å; W227-K230 PolarHBondContact O-N 3.07Å; K228-K230 PolarHBondContact O-N 2.82Å; K228-K230 VanDerWaalsContact O-N 3.1Å; K230-T232 PolarHBondContact O-N 3.38Å; K230-T232 PolarHBondContact O-OG1 3.31Å; K230-W256 HydrophobicContact CB-CZ2 4.19Å; K230-W256 HydrophobicContact CD-CH2 3.99Å; K230-W256 HydrophobicContact CD-CZ2 3.75Å; K230-W256 HydrophobicContact CG-CZ2 4.37Å
231K94.4Very high89.8Confident101 Ų10155.9 Ų55.944%0.43928%0.277SS..EExtended strand (participates in β ladder)trans-58.5115.3167.6-80.4-61.3-161.3-178.60108.9W224 I225 T226 E449W224-K231 HydrophobicContact CE3-CB 4.23Å; W224-K231 WeakPolarHBondContact O-CD 3.41Å; W224-K231 PolarHBondContact O-NZ 3.3Å; I225-K231 CarbonylContact O-C 3.59Å; I225-K231 VanDerWaalsContact O-CA 3.32Å; I225-K231 WeakPolarHBondContact O-CA 3.33Å; T226-K231 PolarHBondContact OG1-NZ 2.85Å; K231-E449 IonicContact NZ-OE1 2.77Å; K231-E449 PolarHBondContact NZ-OE1 3.48Å; K231-E449 IonicContact NZ-OE2 2.64Å
232T96Very high89.2Confident3 Ų354 Ų542%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-130.5132.4-172.1-58.60000107.6I225 W227 K230 F253 W256I225-T232 WeakPolarHBondContact CG1-O 3.46Å; I225-T232 PolarHBondContact N-O 3.12Å; I225-T232 VanDerWaalsContact N-O 3.08Å; I225-T232 PolarHBondContact O-N 2.8Å; W227-T232 HydrophobicContact CB-CG2 4.48Å; K230-T232 PolarHBondContact O-N 3.38Å; K230-T232 PolarHBondContact O-OG1 3.31Å; T232-F253 WeakPolarHBondContact CG2-O 3.45Å; T232-W256 PolarHBondContact OG1-NE1 2.72Å
233P96.5Very high88.9Confident10 Ų1054.3 Ų54.37%0.06527%0.271CS..EExtended strand (participates in β ladder)trans-75143.5178.131.3-33.7000110.8V222 W224 F253 L260V222-P233 HydrophobicContact CG1-CB 3.59Å; W224-P233 HydrophobicContact CD2-CB 4.4Å; W224-P233 HydrophobicContact CE3-CB 4.44Å; W224-P233 HydrophobicContact CH2-CB 4.14Å; W224-P233 HydrophobicContact CH2-CG 4.14Å; W224-P233 HydrophobicContact CZ2-CB 4.06Å; W224-P233 HydrophobicContact CZ2-CG 4.5Å; W224-P233 HydrophobicContact CZ3-CB 4.33Å; W224-P233 HydrophobicContact CZ3-CG 4.34Å; P233-F253 HydrophobicContact CG-CB 4.45Å; P233-F253 HydrophobicContact CG-CD1 4.04Å; P233-F253 HydrophobicContact CG-CG 4.2Å; P233-F253 VanDerWaalsContact O-CB 3.29Å; P233-F253 WeakPolarHBondContact O-CB 3.5Å; P233-L260 HydrophobicContact CB-CD1 4.04Å; P233-L260 HydrophobicContact CG-CB 4.2Å; P233-L260 HydrophobicContact CG-CD1 4.28Å; P233-L260 HydrophobicContact CG-CG 4.23Å
234I96.6Very high88.7Confident0 Ų054.2 Ų54.20%027%0.27CS..EExtended strand (participates in β ladder)trans-125.7147.7156.864.9176000108.7V222 K223 I225 N250 L254 L439V222-I234 WeakPolarHBondContact CA-O 3.21Å; K223-I234 HydrophobicContact CB-CG1 3.9Å; K223-I234 HydrophobicContact CD-CD1 4.43Å; K223-I234 PolarHBondContact N-O 3.38Å; K223-I234 PolarHBondContact O-N 3.03Å; I225-I234 HydrophobicContact CD1-CD1 4.43Å; I225-I234 HydrophobicContact CD1-CG2 3.87Å; I225-I234 HydrophobicContact CG1-CG2 4.2Å; I225-I234 HydrophobicContact CG2-CD1 3.89Å; I225-I234 HydrophobicContact CG2-CG1 4.21Å; I234-N250 WeakPolarHBondContact CA-OD1 3.49Å; I234-L254 HydrophobicContact CG2-CD2 3.97Å; I234-L254 HydrophobicContact CG2-CG 4.26Å; I234-L439 HydrophobicContact CB-CD2 4.29Å; I234-L439 HydrophobicContact CD1-CD1 3.99Å; I234-L439 HydrophobicContact CD1-CD2 4.26Å; I234-L439 HydrophobicContact CD1-CG 4.19Å; I234-L439 HydrophobicContact CG2-CD1 4.47Å; I234-L439 HydrophobicContact CG2-CD2 4.11Å
235V95.5Very high88.6Confident0 Ų051.3 Ų51.30%026%0.26CS..EExtended strand (participates in β ladder)trans-95129-179.6-174.30000108.8Y220 L246 N250 F253 V267 L272Y220-V235 HydrophobicContact CD2-CG1 4.47Å; Y220-V235 HydrophobicContact CG-CG1 4.03Å; V235-L246 HydrophobicContact CB-CG 4.25Å; V235-L246 HydrophobicContact CG1-CD1 4.44Å; V235-L246 HydrophobicContact CG1-CD2 3.9Å; V235-L246 HydrophobicContact CG1-CG 3.85Å; V235-N250 PolarHBondContact N-OD1 2.94Å; V235-N250 PolarHBondContact O-ND2 3.18Å; V235-F253 HydrophobicContact CG2-CD2 4.32Å; V235-F253 HydrophobicContact CG2-CE2 3.71Å; V235-V267 HydrophobicContact CG1-CG1 4.15Å; V235-V267 HydrophobicContact CG2-CG1 4.12Å; V235-L272 HydrophobicContact CG1-CD1 4.29Å; V235-L272 HydrophobicContact CG2-CD2 4.01Å
236T94.3Very high88.6Confident1 Ų151.2 Ų51.21%0.00626%0.259CS..  trans-92.1156.9175.259.90000112L221 K223 T441 L446L221-T236 PolarHBondContact O-N 3.02Å; L221-T236 PolarHBondContact O-OG1 2.94Å; K223-T236 HydrophobicContact CB-CG2 4.09Å; T236-T441 CarbonylContact C-O 3.51Å; T236-T441 WeakPolarHBondContact CA-O 3.4Å; T236-T441 WeakPolarHBondContact CB-O 3.44Å; T236-L446 HydrophobicContact CG2-CD1 4.24Å
237Q89.7Confident88.6Confident28 Ų2848.4 Ų48.413%0.13124%0.242CC..BIsolated β-bridgetrans-119.7150.4-179.272-171.915.500111.7L246 H425 T441 Q443Q237-L246 HydrophobicContact CB-CD2 3.64Å; Q237-H425 PolarHBondContact NE2-NE2 2.93Å; Q237-H425 PolarHBondContact OE1-NE2 2.86Å; Q237-T441 PolarHBondContact N-O 3.48Å; Q237-Q443 VanDerWaalsContact O-CB 3.27Å; Q237-Q443 WeakPolarHBondContact O-CB 3.42Å; Q237-Q443 PolarHBondContact O-N 3Å
238S83.3Confident88.6Confident62 Ų6248.2 Ų48.243%0.43424%0.241SC..  trans-96.6173.5161.558.10000110.2N240 G241S238-N240 PolarHBondContact O-N 3.44Å; S238-G241 PolarHBondContact O-N 3.33Å
239E65.8Low88.8Confident188 Ų18842.9 Ų42.988%0.87922%0.218SC*.THydrogen-bonded Turntrans-51-22.8-174.1-64.5179.8125.800115.9
240N64.9Low89Confident150 Ų15033.8 Ų33.880%0.80218%0.175SC*.THydrogen-bonded Turntrans-12326.1-178.5-65.4-95.7000112.1S238S238-N240 PolarHBondContact O-N 3.44Å
241G66.4Low89.2Confident18 Ų1828.3 Ų28.319%0.18615%0.152CC..SBendtrans-75.2152.3176.600000113.2S238 C243S238-G241 PolarHBondContact O-N 3.33Å; G241-C243 VanDerWaalsContact C-N 3.32Å; G241-C243 PolarHBondContact O-N 3.14Å
242P80.8Confident89.3Confident11 Ų1123.5 Ų23.57%0.07113%0.131CC..  trans-76.682.5177.329.7-31.3000111.3Y220 P244 L245 L246 L310Y220-P242 HydrophobicContact CE1-CG 4.33Å; Y220-P242 WeakPolarHBondContact OH-CD 3.21Å; Y220-P242 WeakPolarHBondContact OH-CG 3.44Å; P242-P244 VanDerWaalsContact C-N 3.28Å; P242-P244 WeakPolarHBondContact O-CD 3.24Å; P242-L245 HydrophobicContact CB-CB 4.31Å; P242-L245 HydrophobicContact CG-CB 4.45Å; P242-L245 HydrophobicContact CG-CD2 4.44Å; P242-L245 PolarHBondContact O-N 3.47Å; P242-L246 HydrophobicContact CG-CD1 4.04Å; P242-L246 WeakPolarHBondContact O-CD1 3.45Å; P242-L246 PolarHBondContact O-N 3.42Å; P242-L310 WeakPolarHBondContact CB-O 3.37Å
243C88.1Confident89.3Confident15 Ų1523.4 Ų23.410%0.10113%0.13CC..Hα-helixtrans-52.6-30.8176.762.60000115.3G241 L246 A247 H425 F426G241-C243 VanDerWaalsContact C-N 3.32Å; G241-C243 PolarHBondContact O-N 3.14Å; C243-L246 PolarHBondContact O-N 3.17Å; C243-A247 WeakPolarHBondContact O-CB 3.48Å; C243-A247 PolarHBondContact O-N 2.98Å; C243-H425 VanDerWaalsContact CB-NE2 3.29Å; C243-H425 WeakPolarHBondContact CB-NE2 3.27Å; C243-F426 HydrophobicContact CB-CB 4.42Å; C243-F426 PolarHBondContact SG-N 3.4Å; C243-F426 VanDerWaalsContact SG-N 3.43Å
244P92.1Very high89.3Confident4 Ų423.1 Ų23.13%0.02613%0.128CC..Hα-helixtrans-65.3-48.2176.1-14.929000111.9P242 I248 L310 L314 F426P242-P244 VanDerWaalsContact C-N 3.28Å; P242-P244 WeakPolarHBondContact O-CD 3.24Å; P244-I248 WeakPolarHBondContact O-CG1 3.21Å; P244-I248 PolarHBondContact O-N 3.28Å; P244-I248 VanDerWaalsContact O-N 3.15Å; P244-L310 HydrophobicContact CB-CD2 3.98Å; P244-L314 HydrophobicContact CB-CB 3.82Å; P244-L314 HydrophobicContact CB-CD2 4.18Å; P244-L314 HydrophobicContact CG-CB 3.6Å; P244-F426 HydrophobicContact CB-CD2 4.18Å; P244-F426 HydrophobicContact CB-CG 4.38Å; P244-F426 HydrophobicContact CG-CD2 3.72Å; P244-F426 HydrophobicContact CG-CE2 3.98Å; P244-F426 HydrophobicContact CG-CG 4.38Å
245L93Very high89.2Confident0 Ų026.2 Ų26.20%014%0.14CC..Hα-helixtrans-60.8-46.6175.6177.460.3000111P242 I248 M249 T269 L272 M273 L276 L310P242-L245 HydrophobicContact CB-CB 4.31Å; P242-L245 HydrophobicContact CG-CB 4.45Å; P242-L245 HydrophobicContact CG-CD2 4.44Å; P242-L245 PolarHBondContact O-N 3.47Å; L245-I248 PolarHBondContact O-N 2.97Å; L245-M249 HydrophobicContact CD1-CG 3.89Å; L245-M249 HydrophobicContact CG-CG 4.38Å; L245-M249 WeakPolarHBondContact O-CB 3.5Å; L245-M249 VanDerWaalsContact O-CG 3.27Å; L245-M249 WeakPolarHBondContact O-CG 3.26Å; L245-M249 PolarHBondContact O-N 3.1Å; L245-T269 HydrophobicContact CD2-CG2 4.23Å; L245-L272 HydrophobicContact CD2-CB 4.25Å; L245-L272 HydrophobicContact CD2-CD1 4.44Å; L245-M273 HydrophobicContact CD1-SD 4.24Å; L245-M273 HydrophobicContact CD2-CG 4.35Å; L245-M273 HydrophobicContact CD2-SD 4.43Å; L245-L276 HydrophobicContact CD1-CD2 3.66Å; L245-L310 HydrophobicContact CB-CB 4.12Å; L245-L310 WeakPolarHBondContact CB-O 3.33Å; L245-L310 PolarHBondContact N-O 3.45Å
246L94.4Very high89.2Confident1 Ų130.4 Ų30.41%0.00516%0.156CC..Hα-helixtrans-67.7-39.1-178-89.662.9000112.3Y220 V235 Q237 P242 C243 M249 N250 L272Y220-L246 HydrophobicContact CD1-CD2 4.35Å; Y220-L246 HydrophobicContact CD2-CD1 4.42Å; Y220-L246 HydrophobicContact CE1-CD1 4.49Å; Y220-L246 HydrophobicContact CE2-CD1 4.36Å; Y220-L246 HydrophobicContact CG-CD1 4.49Å; V235-L246 HydrophobicContact CB-CG 4.25Å; V235-L246 HydrophobicContact CG1-CD1 4.44Å; V235-L246 HydrophobicContact CG1-CD2 3.9Å; V235-L246 HydrophobicContact CG1-CG 3.85Å; Q237-L246 HydrophobicContact CB-CD2 3.64Å; P242-L246 HydrophobicContact CG-CD1 4.04Å; P242-L246 WeakPolarHBondContact O-CD1 3.45Å; P242-L246 PolarHBondContact O-N 3.42Å; C243-L246 PolarHBondContact O-N 3.17Å; L246-M249 PolarHBondContact O-N 3.1Å; L246-N250 VanDerWaalsContact O-CB 3.22Å; L246-N250 WeakPolarHBondContact O-CB 3.25Å; L246-N250 VanDerWaalsContact O-CG 3.28Å; L246-N250 PolarHBondContact O-N 2.98Å; L246-N250 PolarHBondContact O-ND2 2.91Å; L246-L272 HydrophobicContact CD1-CD1 4.08Å
247A95.4Very high89.1Confident3 Ų335.3 Ų35.33%0.02518%0.177CC..Hα-helixtrans-65.7-38.2177.200000112.6C243 T251 V419 F426 T428C243-A247 WeakPolarHBondContact O-CB 3.48Å; C243-A247 PolarHBondContact O-N 2.98Å; A247-T251 WeakPolarHBondContact O-CB 3.41Å; A247-T251 PolarHBondContact O-N 2.98Å; A247-T251 VanDerWaalsContact O-N 3.16Å; A247-T251 PolarHBondContact O-OG1 3.03Å; A247-V419 HydrophobicContact CB-CG1 3.89Å; A247-V419 HydrophobicContact CB-CG2 3.93Å; A247-F426 HydrophobicContact CB-CB 4.04Å; A247-T428 WeakPolarHBondContact CA-OG1 3.38Å; A247-T428 PolarHBondContact O-OG1 2.74Å
248I95.4Very high89.2Confident0 Ų034.2 Ų34.20%017%0.173CC..Hα-helixtrans-67-50.7172.1-67.6167.8000110.3P244 L245 N250 T251 L252 L276 L310 V334 F335 L338 I340P244-I248 WeakPolarHBondContact O-CG1 3.21Å; P244-I248 PolarHBondContact O-N 3.28Å; P244-I248 VanDerWaalsContact O-N 3.15Å; L245-I248 PolarHBondContact O-N 2.97Å; I248-N250 PolarHBondContact O-N 3.32Å; I248-T251 CarbonylContact O-C 3.6Å; I248-T251 WeakPolarHBondContact O-CA 3.48Å; I248-T251 VanDerWaalsContact O-CB 3.29Å; I248-T251 WeakPolarHBondContact O-CB 3.46Å; I248-T251 PolarHBondContact O-N 3.03Å; I248-T251 VanDerWaalsContact O-N 3.1Å; I248-L252 HydrophobicContact CG2-CD1 4.05Å; I248-L252 HydrophobicContact CG2-CG 4.41Å; I248-L252 WeakPolarHBondContact O-CG 3.19Å; I248-L252 PolarHBondContact O-N 2.97Å; I248-L276 HydrophobicContact CG2-CD1 3.68Å; I248-L310 HydrophobicContact CD1-CD1 4.12Å; I248-L310 HydrophobicContact CD1-CD2 3.84Å; I248-V334 HydrophobicContact CD1-CG1 4.16Å; I248-F335 HydrophobicContact CD1-CE1 4.01Å; I248-F335 HydrophobicContact CD1-CE2 4.16Å; I248-F335 HydrophobicContact CD1-CZ 3.75Å; I248-F335 HydrophobicContact CG1-CD1 4.42Å; I248-F335 HydrophobicContact CG1-CE1 3.78Å; I248-F335 HydrophobicContact CG1-CZ 4.01Å; I248-L338 HydrophobicContact CG2-CD1 3.67Å; I248-I340 HydrophobicContact CG2-CD1 4Å
249M95.9Very high89.5Confident0 Ų038.4 Ų38.40%018%0.183CC..Hα-helixtrans-63.9-42.1-176.4-73.6-56-61.800112.5L245 L246 T251 L252 F253 A258 L272 H275 L276L245-M249 HydrophobicContact CD1-CG 3.89Å; L245-M249 HydrophobicContact CG-CG 4.38Å; L245-M249 WeakPolarHBondContact O-CB 3.5Å; L245-M249 VanDerWaalsContact O-CG 3.27Å; L245-M249 WeakPolarHBondContact O-CG 3.26Å; L245-M249 PolarHBondContact O-N 3.1Å; L246-M249 PolarHBondContact O-N 3.1Å; M249-T251 VanDerWaalsContact C-N 3.31Å; M249-T251 PolarHBondContact O-N 3.4Å; M249-L252 CarbonylContact O-C 3.57Å; M249-L252 WeakPolarHBondContact O-CB 3.34Å; M249-L252 PolarHBondContact O-N 3.05Å; M249-L252 HydrophobicContact SD-CD1 3.93Å; M249-F253 HydrophobicContact CB-CD2 4.44Å; M249-F253 HydrophobicContact CB-CE2 4.01Å; M249-F253 HydrophobicContact CE-CE1 4.21Å; M249-F253 HydrophobicContact CE-CE2 3.89Å; M249-F253 HydrophobicContact CE-CZ 3.55Å; M249-F253 WeakPolarHBondContact O-CD2 3.41Å; M249-F253 WeakPolarHBondContact O-CG 3.41Å; M249-F253 PolarHBondContact O-N 3.34Å; M249-A258 HydrophobicContact CE-CB 4.19Å; M249-L272 HydrophobicContact CB-CD2 4.39Å; M249-L272 HydrophobicContact CE-CD2 3.98Å; M249-L272 HydrophobicContact CG-CB 4.28Å; M249-L272 HydrophobicContact CG-CD2 4.21Å; M249-H275 HydrophobicContact CE-CB 3.66Å; M249-L276 HydrophobicContact SD-CB 3.83Å; M249-L276 HydrophobicContact SD-CD1 4.3Å
250N97.1Very high90.8Very high0 Ų030.4 Ų30.40%015%0.146CC..Hα-helixtrans-62-38.7172.6-74.7-27.8000111.9I234 V235 L246 I248 L252 F253 L254 T428 L439 T441I234-N250 WeakPolarHBondContact CA-OD1 3.49Å; V235-N250 PolarHBondContact N-OD1 2.94Å; V235-N250 PolarHBondContact O-ND2 3.18Å; L246-N250 VanDerWaalsContact O-CB 3.22Å; L246-N250 WeakPolarHBondContact O-CB 3.25Å; L246-N250 VanDerWaalsContact O-CG 3.28Å; L246-N250 PolarHBondContact O-N 2.98Å; L246-N250 PolarHBondContact O-ND2 2.91Å; I248-N250 PolarHBondContact O-N 3.32Å; N250-L252 VanDerWaalsContact C-N 3.32Å; N250-L252 PolarHBondContact O-N 3.31Å; N250-F253 PolarHBondContact O-N 3.38Å; N250-L254 WeakPolarHBondContact O-CB 3.47Å; N250-L254 WeakPolarHBondContact O-CG 3.31Å; N250-L254 PolarHBondContact O-N 2.62Å; N250-T428 WeakPolarHBondContact CB-OG1 3.13Å; N250-L439 HydrophobicContact CB-CD2 3.64Å; N250-T441 WeakPolarHBondContact ND2-CG2 3.32Å
251T97Very high92Very high0 Ų027.5 Ų27.50%014%0.135CC..Hα-helixtrans-60.4-40.8170.9-59.30000111.8A247 I248 M249 R255 I340 I417 T428A247-T251 WeakPolarHBondContact O-CB 3.41Å; A247-T251 PolarHBondContact O-N 2.98Å; A247-T251 VanDerWaalsContact O-N 3.16Å; A247-T251 PolarHBondContact O-OG1 3.03Å; I248-T251 CarbonylContact O-C 3.6Å; I248-T251 WeakPolarHBondContact O-CA 3.48Å; I248-T251 VanDerWaalsContact O-CB 3.29Å; I248-T251 WeakPolarHBondContact O-CB 3.46Å; I248-T251 PolarHBondContact O-N 3.03Å; I248-T251 VanDerWaalsContact O-N 3.1Å; M249-T251 VanDerWaalsContact C-N 3.31Å; M249-T251 PolarHBondContact O-N 3.4Å; T251-R255 VanDerWaalsContact O-CB 3.26Å; T251-R255 WeakPolarHBondContact O-CB 3.46Å; T251-R255 VanDerWaalsContact O-CD 3.3Å; T251-R255 WeakPolarHBondContact O-CD 3.47Å; T251-R255 WeakPolarHBondContact O-CG 3.35Å; T251-R255 PolarHBondContact O-N 3.4Å; T251-R255 VanDerWaalsContact O-N 3.1Å; T251-I340 HydrophobicContact CG2-CD1 3.84Å; T251-I340 HydrophobicContact CG2-CG1 3.82Å; T251-I340 HydrophobicContact CG2-CG2 4.07Å; T251-I417 HydrophobicContact CG2-CB 4.3Å; T251-I417 HydrophobicContact CG2-CG2 3.86Å; T251-T428 WeakPolarHBondContact OG1-CG2 3.37Å
252L96.1Very high93.1Very high0 Ų030.7 Ų30.70%016%0.16CC..Hα-helixtrans-70.7-37.5178.2-65.7174.1000113.2I248 M249 N250 W256 K257 A258 L276 C279 L338 I340I248-L252 HydrophobicContact CG2-CD1 4.05Å; I248-L252 HydrophobicContact CG2-CG 4.41Å; I248-L252 WeakPolarHBondContact O-CG 3.19Å; I248-L252 PolarHBondContact O-N 2.97Å; M249-L252 CarbonylContact O-C 3.57Å; M249-L252 WeakPolarHBondContact O-CB 3.34Å; M249-L252 PolarHBondContact O-N 3.05Å; M249-L252 HydrophobicContact SD-CD1 3.93Å; N250-L252 VanDerWaalsContact C-N 3.32Å; N250-L252 PolarHBondContact O-N 3.31Å; L252-W256 PolarHBondContact O-N 2.97Å; L252-K257 HydrophobicContact CB-CB 4.45Å; L252-K257 HydrophobicContact CD2-CB 4.05Å; L252-K257 HydrophobicContact CD2-CD 3.65Å; L252-K257 HydrophobicContact CD2-CG 4.45Å; L252-K257 PolarHBondContact O-N 2.81Å; L252-A258 HydrophobicContact CB-CB 3.91Å; L252-A258 PolarHBondContact O-N 3.41Å; L252-L276 HydrophobicContact CD1-CD1 3.81Å; L252-C279 HydrophobicContact CD1-CB 3.92Å; L252-L338 HydrophobicContact CD1-CD1 4.27Å; L252-L338 HydrophobicContact CD2-CD2 4.29Å; L252-I340 HydrophobicContact CD2-CD1 4.4Å
253F96.6Very high93.3Very high1 Ų138.6 Ų38.60%0.00420%0.196CC..Hα-helixtrans-69.4-45.2175.3-65.6-53.2000112.1T232 P233 V235 M249 N250 R255 W256 A258 L260 L272T232-F253 WeakPolarHBondContact CG2-O 3.45Å; P233-F253 HydrophobicContact CG-CB 4.45Å; P233-F253 HydrophobicContact CG-CD1 4.04Å; P233-F253 HydrophobicContact CG-CG 4.2Å; P233-F253 VanDerWaalsContact O-CB 3.29Å; P233-F253 WeakPolarHBondContact O-CB 3.5Å; V235-F253 HydrophobicContact CG2-CD2 4.32Å; V235-F253 HydrophobicContact CG2-CE2 3.71Å; M249-F253 HydrophobicContact CB-CD2 4.44Å; M249-F253 HydrophobicContact CB-CE2 4.01Å; M249-F253 HydrophobicContact CE-CE1 4.21Å; M249-F253 HydrophobicContact CE-CE2 3.89Å; M249-F253 HydrophobicContact CE-CZ 3.55Å; M249-F253 WeakPolarHBondContact O-CD2 3.41Å; M249-F253 WeakPolarHBondContact O-CG 3.41Å; M249-F253 PolarHBondContact O-N 3.34Å; N250-F253 PolarHBondContact O-N 3.38Å; F253-R255 VanDerWaalsContact C-N 3.25Å; F253-R255 PolarHBondContact O-N 2.87Å; F253-W256 WeakPolarHBondContact O-CA 3.49Å; F253-W256 VanDerWaalsContact O-CD1 3.24Å; F253-W256 PolarHBondContact O-N 2.99Å; F253-A258 HydrophobicContact CD1-CB 3.63Å; F253-A258 HydrophobicContact CE1-CB 3.56Å; F253-A258 HydrophobicContact CG-CB 4.49Å; F253-A258 HydrophobicContact CZ-CB 4.39Å; F253-L260 HydrophobicContact CE1-CD1 4.44Å; F253-L260 HydrophobicContact CE1-CD2 4.07Å; F253-L260 HydrophobicContact CE1-CG 3.74Å; F253-L260 HydrophobicContact CZ-CD1 4.09Å; F253-L260 HydrophobicContact CZ-CD2 3.93Å; F253-L260 HydrophobicContact CZ-CG 3.78Å; F253-L272 HydrophobicContact CE2-CD2 4.15Å; F253-L272 HydrophobicContact CZ-CD2 4.14Å
254L96.4Very high93.6Very high4 Ų439.2 Ų39.22%0.02120%0.2CC..Hα-helixtrans-68.2-22.8177.3-66.1170.6000113.4I225 W227 I234 N250 W256 I417 T428 L439 W453I225-L254 HydrophobicContact CD1-CD2 3.82Å; W227-L254 HydrophobicContact CB-CD2 4.35Å; W227-L254 HydrophobicContact CD2-CD2 3.97Å; W227-L254 HydrophobicContact CG-CD2 3.8Å; W227-L254 PolarHBondContact NE1-O 2.95Å; I234-L254 HydrophobicContact CG2-CD2 3.97Å; I234-L254 HydrophobicContact CG2-CG 4.26Å; N250-L254 WeakPolarHBondContact O-CB 3.47Å; N250-L254 WeakPolarHBondContact O-CG 3.31Å; N250-L254 PolarHBondContact O-N 2.62Å; L254-W256 VanDerWaalsContact C-N 3.35Å; L254-I417 HydrophobicContact CB-CD1 3.48Å; L254-I417 VanDerWaalsContact CB-CD1 3.48Å; L254-I417 HydrophobicContact CD1-CD1 4.34Å; L254-T428 HydrophobicContact CD1-CG2 4.09Å; L254-L439 HydrophobicContact CD1-CD1 4.17Å; L254-L439 HydrophobicContact CD1-CD2 4.15Å; L254-W453 HydrophobicContact CD1-CH2 3.85Å; L254-W453 HydrophobicContact CD1-CZ2 4.14Å
255R95.1Very high93.6Very high64 Ų6446.3 Ų46.324%0.24223%0.233CC..THydrogen-bonded Turntrans-87.2-1.7168.6-69.2170.5173.6-156.9-4.8113.2T251 F253 K257 L338 N339 I417T251-R255 VanDerWaalsContact O-CB 3.26Å; T251-R255 WeakPolarHBondContact O-CB 3.46Å; T251-R255 VanDerWaalsContact O-CD 3.3Å; T251-R255 WeakPolarHBondContact O-CD 3.47Å; T251-R255 WeakPolarHBondContact O-CG 3.35Å; T251-R255 PolarHBondContact O-N 3.4Å; T251-R255 VanDerWaalsContact O-N 3.1Å; F253-R255 VanDerWaalsContact C-N 3.25Å; F253-R255 PolarHBondContact O-N 2.87Å; R255-K257 HydrophobicContact CB-CG 4.49Å; R255-K257 PolarHBondContact O-N 2.74Å; R255-K257 VanDerWaalsContact O-N 3.15Å; R255-L338 PolarHBondContact NH1-O 2.93Å; R255-N339 VanDerWaalsContact CZ-O 3.29Å; R255-N339 PolarHBondContact NH1-O 3.45Å; R255-N339 PolarHBondContact NH2-O 2.95Å; R255-I417 HydrophobicContact CG-CD1 4.31Å; R255-I417 PolarHBondContact NH2-O 2.62Å
256W94.4Very high93.6Very high88 Ų8849.4 Ų49.433%0.33325%0.251SS..THydrogen-bonded Turntrans53.823.4-174.4-52.7-48.1000115.5K228 K230 T232 L252 F253 L254K228-W256 HydrophobicContact CB-CH2 3.88Å; K228-W256 HydrophobicContact CB-CZ2 4.06Å; K228-W256 HydrophobicContact CD-CH2 4.34Å; K230-W256 HydrophobicContact CB-CZ2 4.19Å; K230-W256 HydrophobicContact CD-CH2 3.99Å; K230-W256 HydrophobicContact CD-CZ2 3.75Å; K230-W256 HydrophobicContact CG-CZ2 4.37Å; T232-W256 PolarHBondContact OG1-NE1 2.72Å; L252-W256 PolarHBondContact O-N 2.97Å; F253-W256 WeakPolarHBondContact O-CA 3.49Å; F253-W256 VanDerWaalsContact O-CD1 3.24Å; F253-W256 PolarHBondContact O-N 2.99Å; L254-W256 VanDerWaalsContact C-N 3.35Å
257K92Very high93.6Very high105 Ų10549.4 Ų49.446%0.45725%0.251SS..SBendtrans-70.6-51.4170.2-78.6-171.8169.6-169.40110L252 R255 L338L252-K257 HydrophobicContact CB-CB 4.45Å; L252-K257 HydrophobicContact CD2-CB 4.05Å; L252-K257 HydrophobicContact CD2-CD 3.65Å; L252-K257 HydrophobicContact CD2-CG 4.45Å; L252-K257 PolarHBondContact O-N 2.81Å; R255-K257 HydrophobicContact CB-CG 4.49Å; R255-K257 PolarHBondContact O-N 2.74Å; R255-K257 VanDerWaalsContact O-N 3.15Å; K257-L338 PolarHBondContact NZ-O 3.16Å
258A91.8Very high93.4Very high5 Ų550.2 Ų50.24%0.04126%0.256CS..SBendtrans-92.9154.7170.600000110.6M249 L252 F253M249-A258 HydrophobicContact CE-CB 4.19Å; L252-A258 HydrophobicContact CB-CB 3.91Å; L252-A258 PolarHBondContact O-N 3.41Å; F253-A258 HydrophobicContact CD1-CB 3.63Å; F253-A258 HydrophobicContact CE1-CB 3.56Å; F253-A258 HydrophobicContact CG-CB 4.49Å; F253-A258 HydrophobicContact CZ-CB 4.39Å
259K90.8Very high93.2Very high149 Ų14951.3 Ų51.365%0.64826%0.263SS*.  trans-149135.2177.9-62.7174.6-172.4160.40110
260L92.1Very high92.9Very high20 Ų2058.4 Ų58.411%0.10530%0.296CS..PPolyproline II helixtrans-95.6158.5167.7-60.5179.2000110.5V222 P233 F253 T264 V267V222-L260 HydrophobicContact CG1-CD1 4.04Å; V222-L260 HydrophobicContact CG2-CD1 3.97Å; P233-L260 HydrophobicContact CB-CD1 4.04Å; P233-L260 HydrophobicContact CG-CB 4.2Å; P233-L260 HydrophobicContact CG-CD1 4.28Å; P233-L260 HydrophobicContact CG-CG 4.23Å; F253-L260 HydrophobicContact CE1-CD1 4.44Å; F253-L260 HydrophobicContact CE1-CD2 4.07Å; F253-L260 HydrophobicContact CE1-CG 3.74Å; F253-L260 HydrophobicContact CZ-CD1 4.09Å; F253-L260 HydrophobicContact CZ-CD2 3.93Å; F253-L260 HydrophobicContact CZ-CG 3.78Å; L260-T264 HydrophobicContact CD1-CG2 4.25Å; L260-V267 HydrophobicContact CD2-CG2 4.24Å
261P91.4Very high92.6Very high89 Ų8962.8 Ų62.858%0.57832%0.316SS*.PPolyproline II helixtrans-53.7150.9166.8-23.533.6000112.2W224 T264W224-P261 WeakPolarHBondContact CH2-O 3.31Å; W224-P261 WeakPolarHBondContact CZ2-O 3.45Å; P261-T264 WeakPolarHBondContact CD-OG1 3.32Å; P261-T264 PolarHBondContact O-N 3.04Å; P261-T264 PolarHBondContact O-OG1 2.94Å
262A89.1Confident92.4Very high86 Ų8662.8 Ų62.871%0.71132%0.316SS*.THydrogen-bonded Turntrans-63.7140.1173.400000110.3T264A262-T264 VanDerWaalsContact C-N 3.27Å; A262-T264 PolarHBondContact O-N 2.89Å
263Q85.9Confident92.2Very high177 Ų17764.7 Ų64.783%0.82733%0.325SS*.THydrogen-bonded Turntrans66.817.5-178.7-52.6174.8-17.200115.2E265Q263-E265 PolarHBondContact O-N 3.48Å
264T92.8Very high91.9Very high28 Ų2867.8 Ų67.817%0.17235%0.352CS..  trans-63.5114.2162.9-63.90000109.6V222 W224 L260 P261 A262 V266V222-T264 WeakPolarHBondContact CB-O 3.28Å; V222-T264 WeakPolarHBondContact CG1-O 3.49Å; V222-T264 HydrophobicContact CG2-CG2 4.27Å; W224-T264 PolarHBondContact NE1-O 3.36Å; L260-T264 HydrophobicContact CD1-CG2 4.25Å; P261-T264 WeakPolarHBondContact CD-OG1 3.32Å; P261-T264 PolarHBondContact O-N 3.04Å; P261-T264 PolarHBondContact O-OG1 2.94Å; A262-T264 VanDerWaalsContact C-N 3.27Å; A262-T264 PolarHBondContact O-N 2.89Å; T264-V266 WeakPolarHBondContact CG2-O 3.5Å
265E93.1Very high91.7Very high153 Ų15370.5 Ų70.572%0.71536%0.364SS*.  trans-92.4-25.5176.7-63.6-178.816500112.9V222 Q263V222-E265 PolarHBondContact N-O 3.14Å; Q263-E265 PolarHBondContact O-N 3.48Å
266V93.6Very high91.6Very high64 Ų6467.5 Ų67.539%0.38835%0.353SS..EExtended strand (participates in β ladder)trans-136.1140.4-174.7-170.50000109.1Y219 Y220 L221 T264Y219-V266 HydrophobicContact CD1-CG1 3.74Å; Y219-V266 HydrophobicContact CG-CG1 4.1Å; Y220-V266 WeakPolarHBondContact O-CA 3.02Å; L221-V266 HydrophobicContact CD2-CG1 4.46Å; L221-V266 HydrophobicContact CD2-CG2 3.85Å; T264-V266 WeakPolarHBondContact CG2-O 3.5Å
267V93.6Very high91.4Very high1 Ų163.8 Ų63.81%0.00634%0.342CS..EExtended strand (participates in β ladder)trans-134.5142.1174.467.40000110.4Y219 Y220 V222 V235 L260 E271 L272Y219-V267 WeakPolarHBondContact CA-O 3.37Å; Y220-V267 PolarHBondContact N-O 3.35Å; Y220-V267 PolarHBondContact O-N 3.44Å; V222-V267 HydrophobicContact CG2-CB 4Å; V222-V267 HydrophobicContact CG2-CG1 3.72Å; V235-V267 HydrophobicContact CG1-CG1 4.15Å; V235-V267 HydrophobicContact CG2-CG1 4.12Å; L260-V267 HydrophobicContact CD2-CG2 4.24Å; V267-E271 HydrophobicContact CG2-CB 3.74Å; V267-L272 HydrophobicContact CG1-CD1 4.27Å; V267-L272 HydrophobicContact CG1-CD2 3.97Å; V267-L272 HydrophobicContact CG1-CG 4.12Å; V267-L272 HydrophobicContact CG2-CD2 3.88Å; V267-L272 HydrophobicContact CG2-CG 4.01Å
268T92.1Very high91.4Very high21 Ų2164.8 Ų64.813%0.12935%0.348CS..EExtended strand (participates in β ladder)trans-86.8160.6177.359.50000112.5Y219 E270 E271 L272Y219-T268 HydrophobicContact CD1-CG2 3.61Å; Y219-T268 HydrophobicContact CE1-CG2 3.51Å; T268-E270 PolarHBondContact O-N 2.7Å; T268-E271 WeakPolarHBondContact CB-OE2 3.39Å; T268-E271 WeakPolarHBondContact CG2-OE2 3.44Å; T268-E271 PolarHBondContact N-OE2 3.37Å; T268-E271 PolarHBondContact O-N 3.06Å; T268-E271 WeakPolarHBondContact OG1-CB 3.27Å; T268-E271 VanDerWaalsContact OG1-CD 3.29Å; T268-E271 VanDerWaalsContact OG1-CG 3.25Å; T268-E271 WeakPolarHBondContact OG1-CG 3.38Å; T268-E271 PolarHBondContact OG1-N 3.43Å; T268-E271 VanDerWaalsContact OG1-N 3.1Å; T268-E271 PolarHBondContact OG1-OE2 2.84Å; T268-L272 WeakPolarHBondContact O-CG 3.41Å; T268-L272 PolarHBondContact O-N 3.02Å; T268-L272 VanDerWaalsContact O-N 3.1Å
269T89.6Confident91.3Very high23 Ų2365 Ų6514%0.14135%0.35CS..Hα-helixtrans-54.1-41.2166.9-54.60000112A218 Y220 L245 L272 M273A218-T269 WeakPolarHBondContact CB-OG1 3.47Å; A218-T269 PolarHBondContact O-N 3.17Å; A218-T269 PolarHBondContact O-OG1 2.92Å; Y220-T269 WeakPolarHBondContact CE2-OG1 3.43Å; Y220-T269 PolarHBondContact OH-OG1 3.44Å; Y220-T269 VanDerWaalsContact OH-OG1 3.11Å; L245-T269 HydrophobicContact CD2-CG2 4.23Å; T269-L272 PolarHBondContact O-N 3.19Å; T269-M273 HydrophobicContact CG2-CG 4.19Å; T269-M273 VanDerWaalsContact O-CB 3.27Å; T269-M273 WeakPolarHBondContact O-CB 3.44Å; T269-M273 WeakPolarHBondContact O-CG 3.35Å; T269-M273 PolarHBondContact O-N 3.26Å
270E89.6Confident91.3Very high148 Ų14858 Ų5869%0.69232%0.319SS*.Hα-helixtrans-64.3-42.4-179.1-65.7178.9-160.900112.3T268 M273 A274T268-E270 PolarHBondContact O-N 2.7Å; E270-M273 PolarHBondContact O-N 3.08Å; E270-A274 WeakPolarHBondContact O-CB 3.4Å; E270-A274 PolarHBondContact O-N 2.85Å
271E91.8Very high91.1Very high92 Ų9261.9 Ų61.943%0.4334%0.34SS..Hα-helixtrans-66.5-41.8175.8-71.7160.9127.700112.2V267 T268 M273 A274 H275V267-E271 HydrophobicContact CG2-CB 3.74Å; T268-E271 WeakPolarHBondContact CB-OE2 3.39Å; T268-E271 WeakPolarHBondContact CG2-OE2 3.44Å; T268-E271 PolarHBondContact N-OE2 3.37Å; T268-E271 PolarHBondContact O-N 3.06Å; T268-E271 WeakPolarHBondContact OG1-CB 3.27Å; T268-E271 VanDerWaalsContact OG1-CD 3.29Å; T268-E271 VanDerWaalsContact OG1-CG 3.25Å; T268-E271 WeakPolarHBondContact OG1-CG 3.38Å; T268-E271 PolarHBondContact OG1-N 3.43Å; T268-E271 VanDerWaalsContact OG1-N 3.1Å; T268-E271 PolarHBondContact OG1-OE2 2.84Å; E271-M273 VanDerWaalsContact C-N 3.35Å; E271-A274 PolarHBondContact O-N 2.97Å; E271-H275 WeakPolarHBondContact O-CB 3.09Å; E271-H275 PolarHBondContact O-CD2 2.88Å; E271-H275 PolarHBondContact O-N 2.83Å
272L92.5Very high90.9Very high0 Ų061.2 Ų61.20%034%0.337CS..Hα-helixtrans-61.9-43.7174.3-67.7-178.7000111.5Y220 V235 L245 L246 M249 F253 V267 T268 T269 H275 L276Y220-L272 HydrophobicContact CD2-CD1 3.64Å; Y220-L272 HydrophobicContact CE2-CD1 4.01Å; V235-L272 HydrophobicContact CG1-CD1 4.29Å; V235-L272 HydrophobicContact CG2-CD2 4.01Å; L245-L272 HydrophobicContact CD2-CB 4.25Å; L245-L272 HydrophobicContact CD2-CD1 4.44Å; L246-L272 HydrophobicContact CD1-CD1 4.08Å; M249-L272 HydrophobicContact CB-CD2 4.39Å; M249-L272 HydrophobicContact CE-CD2 3.98Å; M249-L272 HydrophobicContact CG-CB 4.28Å; M249-L272 HydrophobicContact CG-CD2 4.21Å; F253-L272 HydrophobicContact CE2-CD2 4.15Å; F253-L272 HydrophobicContact CZ-CD2 4.14Å; V267-L272 HydrophobicContact CG1-CD1 4.27Å; V267-L272 HydrophobicContact CG1-CD2 3.97Å; V267-L272 HydrophobicContact CG1-CG 4.12Å; V267-L272 HydrophobicContact CG2-CD2 3.88Å; V267-L272 HydrophobicContact CG2-CG 4.01Å; T268-L272 WeakPolarHBondContact O-CG 3.41Å; T268-L272 PolarHBondContact O-N 3.02Å; T268-L272 VanDerWaalsContact O-N 3.1Å; T269-L272 PolarHBondContact O-N 3.19Å; L272-H275 PolarHBondContact O-N 2.92Å; L272-L276 WeakPolarHBondContact O-CB 3.28Å; L272-L276 PolarHBondContact O-N 3.03Å
273M91Very high90.8Very high40 Ų4058.5 Ų58.520%0.19731%0.312CS..Hα-helixtrans-64.5-40.2177-75.6-72.9-67.600112.5L245 T269 E270 E271 L276 G277 L307 P308L245-M273 HydrophobicContact CD1-SD 4.24Å; L245-M273 HydrophobicContact CD2-CG 4.35Å; L245-M273 HydrophobicContact CD2-SD 4.43Å; T269-M273 HydrophobicContact CG2-CG 4.19Å; T269-M273 VanDerWaalsContact O-CB 3.27Å; T269-M273 WeakPolarHBondContact O-CB 3.44Å; T269-M273 WeakPolarHBondContact O-CG 3.35Å; T269-M273 PolarHBondContact O-N 3.26Å; E270-M273 PolarHBondContact O-N 3.08Å; E271-M273 VanDerWaalsContact C-N 3.35Å; M273-L276 PolarHBondContact O-N 2.92Å; M273-G277 PolarHBondContact O-N 3.15Å; M273-L307 HydrophobicContact CE-CB 3.8Å; M273-L307 HydrophobicContact SD-CB 4.49Å; M273-P308 HydrophobicContact CE-CG 4.36Å
274A91.8Very high90.4Very high67 Ų6755.5 Ų55.555%0.55431%0.305SS*.Hα-helixtrans-64.9-44.7174.800000111.8E270 E271 L276 G277 E278E270-A274 WeakPolarHBondContact O-CB 3.4Å; E270-A274 PolarHBondContact O-N 2.85Å; E271-A274 PolarHBondContact O-N 2.97Å; A274-L276 VanDerWaalsContact C-N 3.32Å; A274-L276 PolarHBondContact O-N 3.29Å; A274-G277 PolarHBondContact O-N 2.91Å; A274-E278 PolarHBondContact O-N 3.18Å
275H91.9Very high89.6Confident61 Ų6155.7 Ų55.728%0.28231%0.307SS..Hα-helixtrans-63.8-36174.3-75.5-54.8000112.8M249 E271 L272 C279M249-H275 HydrophobicContact CE-CB 3.66Å; E271-H275 WeakPolarHBondContact O-CB 3.09Å; E271-H275 PolarHBondContact O-CD2 2.88Å; E271-H275 PolarHBondContact O-N 2.83Å; L272-H275 PolarHBondContact O-N 2.92Å; H275-C279 WeakPolarHBondContact O-CB 3.4Å; H275-C279 PolarHBondContact O-N 2.96Å; H275-C279 PolarHBondContact O-SG 3.01Å
276L92.2Very high88.5Confident0 Ų058.1 Ų58.10%031%0.31CS..Hα-helixtrans-66.7-46.2175-176.355.8000111.6L245 I248 M249 L252 L272 M273 A274 E278 C279 V280 L307 L310 L338L245-L276 HydrophobicContact CD1-CD2 3.66Å; I248-L276 HydrophobicContact CG2-CD1 3.68Å; M249-L276 HydrophobicContact SD-CB 3.83Å; M249-L276 HydrophobicContact SD-CD1 4.3Å; L252-L276 HydrophobicContact CD1-CD1 3.81Å; L272-L276 WeakPolarHBondContact O-CB 3.28Å; L272-L276 PolarHBondContact O-N 3.03Å; M273-L276 PolarHBondContact O-N 2.92Å; A274-L276 VanDerWaalsContact C-N 3.32Å; A274-L276 PolarHBondContact O-N 3.29Å; L276-E278 PolarHBondContact O-N 3.05Å; L276-C279 CarbonylContact O-C 3.4Å; L276-C279 WeakPolarHBondContact O-CA 3.4Å; L276-C279 WeakPolarHBondContact O-CB 3.17Å; L276-C279 PolarHBondContact O-N 2.88Å; L276-C279 VanDerWaalsContact O-N 3.12Å; L276-V280 WeakPolarHBondContact O-CG2 3.42Å; L276-V280 PolarHBondContact O-N 2.7Å; L276-L307 HydrophobicContact CD2-CD2 3.89Å; L276-L307 HydrophobicContact CG-CD1 4.39Å; L276-L307 HydrophobicContact CG-CD2 4.09Å; L276-L310 HydrophobicContact CD2-CD1 3.64Å; L276-L338 HydrophobicContact CD1-CD1 3.69Å
277G91.3Very high87.2Confident11 Ų1160.7 Ų60.711%0.11332%0.317CS..Hα-helixtrans-57.8-47.5175.700000112.5M273 A274 C279 V280 L281M273-G277 PolarHBondContact O-N 3.15Å; A274-G277 PolarHBondContact O-N 2.91Å; G277-C279 VanDerWaalsContact C-N 3.31Å; G277-C279 PolarHBondContact O-N 3.08Å; G277-V280 PolarHBondContact O-N 2.74Å; G277-V280 VanDerWaalsContact O-N 3.11Å; G277-L281 WeakPolarHBondContact O-CG 3.12Å; G277-L281 PolarHBondContact O-N 3.2Å
278E91.4Very high85.9Confident125 Ų12569.4 Ų69.458%0.58436%0.355SS*.Hα-helixtrans-60.4-38.8173.9-175.263.9-160.600111.9A274 L276 V280 L281 S282A274-E278 PolarHBondContact O-N 3.18Å; L276-E278 PolarHBondContact O-N 3.05Å; E278-V280 VanDerWaalsContact C-N 3.31Å; E278-V280 PolarHBondContact O-N 2.88Å; E278-L281 PolarHBondContact O-N 3.39Å; E278-S282 WeakPolarHBondContact O-CB 3.26Å; E278-S282 PolarHBondContact O-N 2.83Å; E278-S282 PolarHBondContact O-OG 2.71Å
279C90.6Very high85.1Confident11 Ų1171.9 Ų71.97%0.07437%0.371CS..Hα-helixtrans-67.8-25.5175.2-73.10000113.8L252 H275 L276 G277 S282 V283 L338L252-C279 HydrophobicContact CD1-CB 3.92Å; H275-C279 WeakPolarHBondContact O-CB 3.4Å; H275-C279 PolarHBondContact O-N 2.96Å; H275-C279 PolarHBondContact O-SG 3.01Å; L276-C279 CarbonylContact O-C 3.4Å; L276-C279 WeakPolarHBondContact O-CA 3.4Å; L276-C279 WeakPolarHBondContact O-CB 3.17Å; L276-C279 PolarHBondContact O-N 2.88Å; L276-C279 VanDerWaalsContact O-N 3.12Å; G277-C279 VanDerWaalsContact C-N 3.31Å; G277-C279 PolarHBondContact O-N 3.08Å; C279-S282 PolarHBondContact O-OG 2.89Å; C279-V283 WeakPolarHBondContact O-CG2 3.3Å; C279-L338 HydrophobicContact CB-CD2 4.08Å; C279-L338 WeakPolarHBondContact O-CD2 3.2Å
280V89.3Confident84Confident0 Ų077.5 Ų77.50%040%0.399CS..Hα-helixtrans-82.5-44.8173.4174.60000111L276 G277 E278 S282 V283 M300 A303 M304 L337 L338L276-V280 WeakPolarHBondContact O-CG2 3.42Å; L276-V280 PolarHBondContact O-N 2.7Å; G277-V280 PolarHBondContact O-N 2.74Å; G277-V280 VanDerWaalsContact O-N 3.11Å; E278-V280 VanDerWaalsContact C-N 3.31Å; E278-V280 PolarHBondContact O-N 2.88Å; V280-S282 VanDerWaalsContact C-N 3.26Å; V280-S282 PolarHBondContact O-N 3.07Å; V280-V283 WeakPolarHBondContact O-CB 3.44Å; V280-V283 WeakPolarHBondContact O-CG2 3.22Å; V280-V283 PolarHBondContact O-N 3.01Å; V280-V283 VanDerWaalsContact O-N 3.09Å; V280-M300 HydrophobicContact CG1-CG 4.35Å; V280-A303 HydrophobicContact CG1-CB 4.35Å; V280-M304 HydrophobicContact CB-CE 3.9Å; V280-M304 HydrophobicContact CG1-CE 3.84Å; V280-L337 HydrophobicContact CG1-CD1 4.23Å; V280-L338 HydrophobicContact CG2-CD2 3.94Å; V280-L338 HydrophobicContact CG2-CG 4.32Å
281L88.3Confident83Confident103 Ų10374 Ų7454%0.53940%0.396SS..Hα-helixtrans-63.7-29177.6-69.5174.6000113.2G277 E278 V283 M300 M304G277-L281 WeakPolarHBondContact O-CG 3.12Å; G277-L281 PolarHBondContact O-N 3.2Å; E278-L281 PolarHBondContact O-N 3.39Å; L281-V283 VanDerWaalsContact C-N 3.33Å; L281-M300 HydrophobicContact CD2-SD 3.99Å; L281-M304 HydrophobicContact CD1-CE 4.39Å; L281-M304 HydrophobicContact CD2-CE 3.79Å; L281-M304 HydrophobicContact CG-CE 3.65Å
282S87.3Confident82Confident74 Ų7473.9 Ų73.952%0.51740%0.397SS..THydrogen-bonded Turntrans-84.2-0.4175.556.60000114.4E278 C279 V280E278-S282 WeakPolarHBondContact O-CB 3.26Å; E278-S282 PolarHBondContact O-N 2.83Å; E278-S282 PolarHBondContact O-OG 2.71Å; C279-S282 PolarHBondContact O-OG 2.89Å; V280-S282 VanDerWaalsContact C-N 3.26Å; V280-S282 PolarHBondContact O-N 3.07Å
283V86.6Confident81.4Confident30 Ų3076.6 Ų76.618%0.18241%0.409CS..  trans-68.1132.2167.4-176.30000108.8C279 V280 L281 F296 L337 L338C279-V283 WeakPolarHBondContact O-CG2 3.3Å; V280-V283 WeakPolarHBondContact O-CB 3.44Å; V280-V283 WeakPolarHBondContact O-CG2 3.22Å; V280-V283 PolarHBondContact O-N 3.01Å; V280-V283 VanDerWaalsContact O-N 3.09Å; L281-V283 VanDerWaalsContact C-N 3.33Å; V283-F296 HydrophobicContact CB-CE2 4.47Å; V283-F296 HydrophobicContact CB-CZ 4.06Å; V283-F296 HydrophobicContact CG1-CE2 3.76Å; V283-F296 HydrophobicContact CG1-CZ 3.76Å; V283-F296 WeakPolarHBondContact O-CZ 3.49Å; V283-L337 WeakPolarHBondContact CG1-O 3.15Å; V283-L337 WeakPolarHBondContact CG2-O 3.2Å; V283-L338 HydrophobicContact CG2-CD2 4.42Å
284T78.9Confident80.9Confident113 Ų11380.3 Ų80.369%0.69343%0.429SS*.  trans-110.4141.8175.1420000110.8
285P76.4Confident80.6Confident32 Ų3281.5 Ų81.521%0.20843%0.426CS..  trans-66.4135.6179.825.4-31.8000110.5E293 F296P285-E293 WeakPolarHBondContact CG-OE2 3.49Å; P285-F296 HydrophobicContact CB-CB 4.39Å; P285-F296 HydrophobicContact CB-CD1 3.92Å; P285-F296 HydrophobicContact CB-CD2 4.32Å; P285-F296 HydrophobicContact CB-CE1 4.31Å; P285-F296 HydrophobicContact CB-CG 3.94Å; P285-F296 HydrophobicContact CG-CD1 4.12Å; P285-F296 HydrophobicContact CG-CE1 4.3Å
286R68.4Low80.3Confident205 Ų20580 Ų8077%0.77442%0.419SS*.SBendtrans-68.5-34.3-176.7-67.3-178.6178.9165.73.7113N339R286-N339 PolarHBondContact NH2-OD1 3.42Å
287E66.9Low80Confident118 Ų11884.8 Ų84.855%0.55144%0.441SS*.SBendtrans-131.4130.4-176.3-65.5-174-170.600110.3T289 M292E287-T289 VanDerWaalsContact C-N 3.32Å; E287-T289 PolarHBondContact O-N 3.35Å; E287-M292 HydrophobicContact CB-SD 3.91Å
288K65.7Low79.8Confident183 Ų18389 Ų8980%0.79646%0.458SS*.  trans-95.151-170.1-63.1-175.3178-177.10112.4
289T75.3Confident79.7Confident74 Ų7484.6 Ų84.645%0.45444%0.438SS..  trans-98.5127.7178.4-48.80000109E287 A291 M292 E293E287-T289 VanDerWaalsContact C-N 3.32Å; E287-T289 PolarHBondContact O-N 3.35Å; T289-A291 PolarHBondContact O-N 3.08Å; T289-M292 HydrophobicContact CG2-SD 4.47Å; T289-M292 WeakPolarHBondContact O-CA 3.21Å; T289-M292 WeakPolarHBondContact O-CB 3.35Å; T289-M292 PolarHBondContact O-N 3.01Å; T289-E293 PolarHBondContact O-N 3.11Å
290N67.2Low79.6Confident140 Ų14085.9 Ų85.975%0.74944%0.444SS*.Hα-helixtrans-51-33.5-170.1-63.8-0.2000115.3L294N290-L294 PolarHBondContact O-N 3.33Å
291A68.4Low79.6Confident74 Ų7489.3 Ų89.361%0.61247%0.468SS*.Hα-helixtrans-76.5-33.9176.400000113.5T289 N295T289-A291 PolarHBondContact O-N 3.08Å; A291-N295 PolarHBondContact O-N 3.45Å
292M71.6Confident79.6Confident91 Ų9187.1 Ų87.145%0.44846%0.457SS..Hα-helixtrans-72.7-35.4174.9-66.6165.3163.100111.2E287 T289 N295 F296E287-M292 HydrophobicContact CB-SD 3.91Å; T289-M292 HydrophobicContact CG2-SD 4.47Å; T289-M292 WeakPolarHBondContact O-CA 3.21Å; T289-M292 WeakPolarHBondContact O-CB 3.35Å; T289-M292 PolarHBondContact O-N 3.01Å; M292-N295 PolarHBondContact O-N 2.81Å; M292-F296 WeakPolarHBondContact O-CB 3.38Å; M292-F296 PolarHBondContact O-N 2.94Å
293E79.1Confident79.7Confident57 Ų5783.6 Ų83.627%0.26643%0.432SS..Hα-helixtrans-59.3-45.1173.5-176.563.4-139.600111.4P285 T289 F296 Q297P285-E293 WeakPolarHBondContact CG-OE2 3.49Å; T289-E293 PolarHBondContact O-N 3.11Å; E293-F296 PolarHBondContact O-N 3.17Å; E293-Q297 VanDerWaalsContact O-CG 3.31Å; E293-Q297 WeakPolarHBondContact O-CG 3.44Å; E293-Q297 PolarHBondContact O-N 3.15Å; E293-Q297 PolarHBondContact OE1-NE2 3.1Å
294L81.4Confident79.8Confident118 Ų11885.2 Ų85.262%0.61844%0.439SS*.Hα-helixtrans-64.6-39.7175.5-71.5172.7000112.7N290 Q297 Q298N290-L294 PolarHBondContact O-N 3.33Å; L294-Q297 PolarHBondContact O-N 2.91Å; L294-Q298 WeakPolarHBondContact O-CB 3.29Å; L294-Q298 PolarHBondContact O-N 2.82Å
295N85.3Confident80.3Confident91 Ų9183.3 Ų83.349%0.48743%0.434SS..Hα-helixtrans-64.9-42.8173175.3-111.1000111.5A291 M292 Q297 Q298 N299A291-N295 PolarHBondContact O-N 3.45Å; M292-N295 PolarHBondContact O-N 2.81Å; N295-Q297 VanDerWaalsContact C-N 3.33Å; N295-Q297 PolarHBondContact O-N 2.85Å; N295-Q298 PolarHBondContact O-N 2.69Å; N295-N299 PolarHBondContact ND2-OD1 3.01Å; N295-N299 WeakPolarHBondContact O-CB 3.34Å; N295-N299 PolarHBondContact O-N 3.3Å; N295-N299 PolarHBondContact O-ND2 3.1Å; N295-N299 PolarHBondContact O-OD1 3.43Å; N295-N299 VanDerWaalsContact O-OD1 3.05Å; N295-N299 PolarHBondContact OD1-ND2 3.48Å
296F84.9Confident80.8Confident30 Ų3082.3 Ų82.313%0.13243%0.427CS..Hα-helixtrans-61.1-40.8177.3-178.5-102.6000112.4V283 P285 M292 E293 N299 M300 L337V283-F296 HydrophobicContact CB-CE2 4.47Å; V283-F296 HydrophobicContact CB-CZ 4.06Å; V283-F296 HydrophobicContact CG1-CE2 3.76Å; V283-F296 HydrophobicContact CG1-CZ 3.76Å; V283-F296 WeakPolarHBondContact O-CZ 3.49Å; P285-F296 HydrophobicContact CB-CB 4.39Å; P285-F296 HydrophobicContact CB-CD1 3.92Å; P285-F296 HydrophobicContact CB-CD2 4.32Å; P285-F296 HydrophobicContact CB-CE1 4.31Å; P285-F296 HydrophobicContact CB-CG 3.94Å; P285-F296 HydrophobicContact CG-CD1 4.12Å; P285-F296 HydrophobicContact CG-CE1 4.3Å; M292-F296 WeakPolarHBondContact O-CB 3.38Å; M292-F296 PolarHBondContact O-N 2.94Å; E293-F296 PolarHBondContact O-N 3.17Å; F296-N299 PolarHBondContact O-N 2.9Å; F296-M300 HydrophobicContact CE1-CE 3.68Å; F296-M300 HydrophobicContact CZ-CE 3.85Å; F296-M300 WeakPolarHBondContact O-CB 3.13Å; F296-M300 PolarHBondContact O-N 2.89Å; F296-L337 HydrophobicContact CD2-CD2 4.07Å; F296-L337 HydrophobicContact CE2-CD2 3.73Å
297Q86.3Confident81.7Confident100 Ų10072.9 Ų72.947%0.46739%0.392SS..Hα-helixtrans-66.4-40.4175.2-71173.915.600112.4E293 L294 N295 M300 S301E293-Q297 VanDerWaalsContact O-CG 3.31Å; E293-Q297 WeakPolarHBondContact O-CG 3.44Å; E293-Q297 PolarHBondContact O-N 3.15Å; E293-Q297 PolarHBondContact OE1-NE2 3.1Å; L294-Q297 PolarHBondContact O-N 2.91Å; N295-Q297 VanDerWaalsContact C-N 3.33Å; N295-Q297 PolarHBondContact O-N 2.85Å; Q297-M300 PolarHBondContact O-N 3.31Å; Q297-S301 PolarHBondContact O-N 3.34Å
298Q87.6Confident82.6Confident99 Ų9970.8 Ų70.846%0.46339%0.389SS..Hα-helixtrans-61.4-49.6172.2-175.860.550.100110.9L294 N295 M300 S301 D302L294-Q298 WeakPolarHBondContact O-CB 3.29Å; L294-Q298 PolarHBondContact O-N 2.82Å; N295-Q298 PolarHBondContact O-N 2.69Å; Q298-M300 VanDerWaalsContact C-N 3.27Å; Q298-M300 PolarHBondContact O-N 2.92Å; Q298-S301 WeakPolarHBondContact O-CA 3.5Å; Q298-S301 WeakPolarHBondContact O-CB 3.38Å; Q298-S301 PolarHBondContact O-N 2.94Å; Q298-D302 WeakPolarHBondContact CG-OD2 3.43Å; Q298-D302 VanDerWaalsContact NE2-CG 3.25Å; Q298-D302 PolarHBondContact NE2-OD1 2.68Å; Q298-D302 PolarHBondContact NE2-OD2 2.83Å; Q298-D302 PolarHBondContact O-N 3.42Å
299N87.9Confident83.6Confident33 Ų3366.4 Ų66.418%0.17637%0.37CS..Hα-helixtrans-58.4-39.7179.2-60-9.7000111.6N295 F296 D302 A303 I333 L337N295-N299 PolarHBondContact ND2-OD1 3.01Å; N295-N299 WeakPolarHBondContact O-CB 3.34Å; N295-N299 PolarHBondContact O-N 3.3Å; N295-N299 PolarHBondContact O-ND2 3.1Å; N295-N299 PolarHBondContact O-OD1 3.43Å; N295-N299 VanDerWaalsContact O-OD1 3.05Å; N295-N299 PolarHBondContact OD1-ND2 3.48Å; F296-N299 PolarHBondContact O-N 2.9Å; N299-D302 PolarHBondContact O-N 2.85Å; N299-A303 VanDerWaalsContact O-CB 3.26Å; N299-A303 WeakPolarHBondContact O-CB 3.45Å; N299-A303 PolarHBondContact O-N 3.41Å; N299-I333 VanDerWaalsContact CA-CD1 3.5Å; N299-I333 HydrophobicContact CB-CD1 3.59Å; N299-I333 HydrophobicContact CB-CG1 4.15Å; N299-L337 HydrophobicContact CB-CD2 4.13Å
300M88.1Confident84Confident38 Ų3863 Ų6319%0.18735%0.348CS..Hα-helixtrans-65.8-39.2175-177179.4-73.200112.5V280 L281 F296 Q297 Q298 M304V280-M300 HydrophobicContact CG1-CG 4.35Å; L281-M300 HydrophobicContact CD2-SD 3.99Å; F296-M300 HydrophobicContact CE1-CE 3.68Å; F296-M300 HydrophobicContact CZ-CE 3.85Å; F296-M300 WeakPolarHBondContact O-CB 3.13Å; F296-M300 PolarHBondContact O-N 2.89Å; Q297-M300 PolarHBondContact O-N 3.31Å; Q298-M300 VanDerWaalsContact C-N 3.27Å; Q298-M300 PolarHBondContact O-N 2.92Å; M300-M304 VanDerWaalsContact O-CG 3.28Å; M300-M304 WeakPolarHBondContact O-CG 3.3Å; M300-M304 PolarHBondContact O-N 3.2Å; M300-M304 VanDerWaalsContact O-N 3.11Å
301S89.4Confident84.8Confident72 Ų7258.1 Ų58.150%0.50333%0.326SS..Hα-helixtrans-63.9-45.9174.4-176.50000111.6Q297 Q298 M304 A305Q297-S301 PolarHBondContact O-N 3.34Å; Q298-S301 WeakPolarHBondContact O-CA 3.5Å; Q298-S301 WeakPolarHBondContact O-CB 3.38Å; Q298-S301 PolarHBondContact O-N 2.94Å; S301-M304 PolarHBondContact O-N 3.29Å; S301-A305 PolarHBondContact O-N 3.04Å; S301-A305 VanDerWaalsContact O-N 3.09Å
302D89.1Confident85.5Confident57 Ų5760.4 Ų60.431%0.30533%0.332SS..Hα-helixtrans-67.1-40.5-179.6-63.4-26.9000111Q298 N299 M304 A305 V306 I333Q298-D302 WeakPolarHBondContact CG-OD2 3.43Å; Q298-D302 VanDerWaalsContact NE2-CG 3.25Å; Q298-D302 PolarHBondContact NE2-OD1 2.68Å; Q298-D302 PolarHBondContact NE2-OD2 2.83Å; Q298-D302 PolarHBondContact O-N 3.42Å; N299-D302 PolarHBondContact O-N 2.85Å; D302-M304 PolarHBondContact O-N 2.78Å; D302-A305 WeakPolarHBondContact O-CB 3.2Å; D302-A305 PolarHBondContact O-N 2.82Å; D302-A305 VanDerWaalsContact O-N 3.15Å; D302-V306 PolarHBondContact O-N 2.87Å; D302-V306 VanDerWaalsContact O-N 3.07Å; D302-I333 HydrophobicContact CB-CD1 4.15Å
303A88.8Confident85.9Confident0 Ų057.8 Ų57.80%033%0.328CS..Hα-helixtrans-55.6-48.417200000112.1V280 N299 A305 V306 L307 I333 V334 L337V280-A303 HydrophobicContact CG1-CB 4.35Å; N299-A303 VanDerWaalsContact O-CB 3.26Å; N299-A303 WeakPolarHBondContact O-CB 3.45Å; N299-A303 PolarHBondContact O-N 3.41Å; A303-A305 VanDerWaalsContact C-N 3.27Å; A303-A305 PolarHBondContact O-N 3.41Å; A303-V306 VanDerWaalsContact O-CG2 3.31Å; A303-V306 WeakPolarHBondContact O-CG2 3.35Å; A303-V306 PolarHBondContact O-N 3.17Å; A303-V306 VanDerWaalsContact O-N 3.15Å; A303-L307 VanDerWaalsContact O-CG 3.29Å; A303-L307 WeakPolarHBondContact O-CG 3.3Å; A303-L307 PolarHBondContact O-N 3.31Å; A303-I333 HydrophobicContact CB-CG2 3.82Å; A303-V334 HydrophobicContact CB-CG2 4.36Å; A303-L337 HydrophobicContact CB-CD1 3.49Å; A303-L337 VanDerWaalsContact CB-CD1 3.49Å
304M88.5Confident86.1Confident65 Ų6555.9 Ų55.932%0.3232%0.32SS..Hα-helixtrans-63.1-32.1178.3-72.1-67.7170.900112.8V280 L281 M300 S301 D302 L307V280-M304 HydrophobicContact CB-CE 3.9Å; V280-M304 HydrophobicContact CG1-CE 3.84Å; L281-M304 HydrophobicContact CD1-CE 4.39Å; L281-M304 HydrophobicContact CD2-CE 3.79Å; L281-M304 HydrophobicContact CG-CE 3.65Å; M300-M304 VanDerWaalsContact O-CG 3.28Å; M300-M304 WeakPolarHBondContact O-CG 3.3Å; M300-M304 PolarHBondContact O-N 3.2Å; M300-M304 VanDerWaalsContact O-N 3.11Å; S301-M304 PolarHBondContact O-N 3.29Å; D302-M304 PolarHBondContact O-N 2.78Å; M304-L307 HydrophobicContact SD-CD1 3.82Å
305A89.4Confident86.3Confident73 Ų7356 Ų5660%0.60332%0.321SS*.Hα-helixtrans-71.6-31.2174.700000113.1S301 D302 A303S301-A305 PolarHBondContact O-N 3.04Å; S301-A305 VanDerWaalsContact O-N 3.09Å; D302-A305 WeakPolarHBondContact O-CB 3.2Å; D302-A305 PolarHBondContact O-N 2.82Å; D302-A305 VanDerWaalsContact O-N 3.15Å; A303-A305 VanDerWaalsContact C-N 3.27Å; A303-A305 PolarHBondContact O-N 3.41Å
306V88.6Confident86.6Confident10 Ų1053 Ų536%0.06131%0.306CS..Hα-helixtrans-92.2-17178.8-58.60000114.8D302 A303 P308 K309 P330 I333 V334D302-V306 PolarHBondContact O-N 2.87Å; D302-V306 VanDerWaalsContact O-N 3.07Å; A303-V306 VanDerWaalsContact O-CG2 3.31Å; A303-V306 WeakPolarHBondContact O-CG2 3.35Å; A303-V306 PolarHBondContact O-N 3.17Å; A303-V306 VanDerWaalsContact O-N 3.15Å; V306-P308 VanDerWaalsContact C-N 3.29Å; V306-P308 VanDerWaalsContact O-N 3.14Å; V306-K309 WeakPolarHBondContact O-CB 3.43Å; V306-K309 PolarHBondContact O-N 3.48Å; V306-P330 HydrophobicContact CG1-CB 3.96Å; V306-I333 HydrophobicContact CG2-CG2 4.35Å; V306-V334 HydrophobicContact CG2-CG2 3.71Å
307L86.5Confident87Confident8 Ų852.1 Ų52.14%0.04230%0.303CS..G310 helixtrans-47.7-44.3178.9-65.8-167.6000113.4M273 L276 A303 M304 K309 L310 V334M273-L307 HydrophobicContact CE-CB 3.8Å; M273-L307 HydrophobicContact SD-CB 4.49Å; L276-L307 HydrophobicContact CD2-CD2 3.89Å; L276-L307 HydrophobicContact CG-CD1 4.39Å; L276-L307 HydrophobicContact CG-CD2 4.09Å; A303-L307 VanDerWaalsContact O-CG 3.29Å; A303-L307 WeakPolarHBondContact O-CG 3.3Å; A303-L307 PolarHBondContact O-N 3.31Å; M304-L307 HydrophobicContact SD-CD1 3.82Å; L307-K309 PolarHBondContact O-N 2.85Å; L307-K309 VanDerWaalsContact O-N 3.16Å; L307-L310 HydrophobicContact CD2-CD1 3.86Å; L307-L310 WeakPolarHBondContact O-CB 3.07Å; L307-L310 PolarHBondContact O-N 3.23Å; L307-L310 VanDerWaalsContact O-N 3.08Å; L307-V334 HydrophobicContact CD2-CG1 4.04Å; L307-V334 HydrophobicContact CD2-CG2 3.9Å
308P86.4Confident87.5Confident73 Ų7347.6 Ų47.647%0.47428%0.282SS..G310 helixtrans-64.9-17.9-178.9-22.835.7000114.6M273 V306 S311M273-P308 HydrophobicContact CE-CG 4.36Å; V306-P308 VanDerWaalsContact C-N 3.29Å; V306-P308 VanDerWaalsContact O-N 3.14Å; P308-S311 PolarHBondContact O-OG 3.08Å
309K86.1Confident87.9Confident92 Ų9245.5 Ų45.540%0.427%0.27SS..G310 helixtrans-73.6-31.1174.4-61.8-177.2176.2-171.80111.9V306 L307 S311 T312 G313 E331V306-K309 WeakPolarHBondContact O-CB 3.43Å; V306-K309 PolarHBondContact O-N 3.48Å; L307-K309 PolarHBondContact O-N 2.85Å; L307-K309 VanDerWaalsContact O-N 3.16Å; K309-S311 PolarHBondContact O-N 3.18Å; K309-T312 PolarHBondContact O-N 3.42Å; K309-T312 PolarHBondContact O-OG1 3.32Å; K309-G313 CarbonylContact C-O 3.6Å; K309-G313 CarbonylContact O-C 3.59Å; K309-G313 PolarHBondContact O-N 3.37Å; K309-E331 HydrophobicContact CD-CG 4.26Å; K309-E331 WeakPolarHBondContact CD-OE1 3.49Å; K309-E331 WeakPolarHBondContact CE-OE1 3.35Å; K309-E331 IonicContact NZ-OE1 2.66Å; K309-E331 PolarHBondContact NZ-OE1 3.24Å
310L84.3Confident88.4Confident1 Ų144 Ų441%0.00526%0.262CS..THydrogen-bonded Turntrans-58.1-24.5-178.9-65.2166.6000113.2P242 P244 L245 I248 L276 L307 L314 V334P242-L310 WeakPolarHBondContact CB-O 3.37Å; P244-L310 HydrophobicContact CB-CD2 3.98Å; L245-L310 HydrophobicContact CB-CB 4.12Å; L245-L310 WeakPolarHBondContact CB-O 3.33Å; L245-L310 PolarHBondContact N-O 3.45Å; I248-L310 HydrophobicContact CD1-CD1 4.12Å; I248-L310 HydrophobicContact CD1-CD2 3.84Å; L276-L310 HydrophobicContact CD2-CD1 3.64Å; L307-L310 HydrophobicContact CD2-CD1 3.86Å; L307-L310 WeakPolarHBondContact O-CB 3.07Å; L307-L310 PolarHBondContact O-N 3.23Å; L307-L310 VanDerWaalsContact O-N 3.08Å; L310-L314 HydrophobicContact CD2-CD1 3.66Å; L310-L314 HydrophobicContact CD2-CD2 4.19Å; L310-L314 HydrophobicContact CD2-CG 4.47Å; L310-V334 HydrophobicContact CD1-CG1 4.22Å; L310-V334 HydrophobicContact CD1-CG2 4.43Å
311S83.3Confident88.8Confident39 Ų3945 Ų4527%0.27327%0.27SS..THydrogen-bonded Turntrans-88.6-6.117561.30000114.9P308 K309P308-S311 PolarHBondContact O-OG 3.08Å; K309-S311 PolarHBondContact O-N 3.18Å
312T82.3Confident89.2Confident122 Ų12241.9 Ų41.975%0.74825%0.249SC*.THydrogen-bonded Turntrans-115.3-27.3178.154.40000114.1K309K309-T312 PolarHBondContact O-N 3.42Å; K309-T312 PolarHBondContact O-OG1 3.32Å
313G79.9Confident89.6Confident35 Ų3539.1 Ų39.136%0.36123%0.234SC..  trans151.9154.3-176.800000111.4K309K309-G313 CarbonylContact C-O 3.6Å; K309-G313 CarbonylContact O-C 3.59Å; K309-G313 PolarHBondContact O-N 3.37Å
314L85Confident89.9Confident17 Ų1742.8 Ų42.89%0.08926%0.257CS..  trans-127.2113.2-179.5-159.372.7000111.6P244 L310 V316 E331 F335 F426P244-L314 HydrophobicContact CB-CB 3.82Å; P244-L314 HydrophobicContact CB-CD2 4.18Å; P244-L314 HydrophobicContact CG-CB 3.6Å; L310-L314 HydrophobicContact CD2-CD1 3.66Å; L310-L314 HydrophobicContact CD2-CD2 4.19Å; L310-L314 HydrophobicContact CD2-CG 4.47Å; L314-V316 HydrophobicContact CD2-CG1 4.23Å; L314-V316 HydrophobicContact CG-CG1 4.44Å; L314-V316 PolarHBondContact O-N 3.42Å; L314-E331 HydrophobicContact CD1-CB 3.52Å; L314-E331 HydrophobicContact CD1-CG 3.62Å; L314-E331 HydrophobicContact CG-CB 4.12Å; L314-E331 HydrophobicContact CG-CG 4.46Å; L314-F335 HydrophobicContact CD2-CE2 3.66Å; L314-F335 HydrophobicContact CD2-CZ 3.97Å; L314-F426 HydrophobicContact CB-CE2 3.95Å; L314-F426 HydrophobicContact CB-CZ 3.92Å; L314-F426 HydrophobicContact CD2-CE1 4.02Å; L314-F426 HydrophobicContact CD2-CZ 3.88Å; L314-F426 HydrophobicContact CG-CZ 4.35Å
315D84.3Confident90.3Very high122 Ų12242.2 Ų42.265%0.65226%0.255SS*.  trans-75.9113.5176.5-60.8-47.5000110.1T329D315-T329 PolarHBondContact O-OG1 3.03Å
316V91Very high90.6Very high28 Ų2840.4 Ų40.417%0.1723%0.234CC..  trans-126.5138.2174-67.20000109.9L314 F326 F421 F426L314-V316 HydrophobicContact CD2-CG1 4.23Å; L314-V316 HydrophobicContact CG-CG1 4.44Å; L314-V316 PolarHBondContact O-N 3.42Å; V316-F326 HydrophobicContact CB-CD1 4.11Å; V316-F326 HydrophobicContact CB-CE1 4.23Å; V316-F326 HydrophobicContact CG2-CE1 4.47Å; V316-F421 HydrophobicContact CG2-CD1 4.1Å; V316-F421 HydrophobicContact CG2-CD2 3.75Å; V316-F421 HydrophobicContact CG2-CE1 3.92Å; V316-F421 HydrophobicContact CG2-CE2 3.54Å; V316-F421 HydrophobicContact CG2-CG 4.01Å; V316-F421 HydrophobicContact CG2-CZ 3.64Å; V316-F426 HydrophobicContact CB-CZ 4.44Å; V316-F426 HydrophobicContact CG1-CE1 4.12Å; V316-F426 HydrophobicContact CG1-CZ 3.8Å; V316-F426 HydrophobicContact CG2-CE1 4.36Å; V316-F426 HydrophobicContact CG2-CZ 3.72Å
317N94.5Very high90.8Very high11 Ų1143.2 Ų43.26%0.05925%0.246CC..  trans-123102.1-179.7-173.622.9000108.9E327 S363 Y364 N365N317-E327 HydrophobicContact CB-CB 4.17Å; N317-E327 PolarHBondContact ND2-OE2 3.35Å; N317-E327 PolarHBondContact O-N 3.39Å; N317-S363 VanDerWaalsContact ND2-CB 3.27Å; N317-S363 WeakPolarHBondContact ND2-CB 3.39Å; N317-S363 PolarHBondContact ND2-OG 3.09Å; N317-Y364 WeakPolarHBondContact OD1-CB 3.4Å; N317-Y364 PolarHBondContact OD1-N 3.07Å; N317-Y364 VanDerWaalsContact OD1-N 3.12Å; N317-N365 PolarHBondContact ND2-ND2 2.99Å; N317-N365 PolarHBondContact OD1-N 3.41Å
318V96.4Very high90.8Very high4 Ų449.4 Ų49.42%0.02427%0.27CS..BIsolated β-bridgetrans-72.6155.6-177.8-64.70000112F320 F326 H344 W346 S363 Y364 F421V318-F320 HydrophobicContact CG2-CE1 4.22Å; V318-F326 HydrophobicContact CG1-CD1 3.93Å; V318-F326 HydrophobicContact CG1-CE1 3.61Å; V318-F326 HydrophobicContact CG1-CZ 4.39Å; V318-H344 HydrophobicContact CG1-CB 4.05Å; V318-W346 HydrophobicContact CG2-CE3 3.82Å; V318-W346 HydrophobicContact CG2-CZ3 4.41Å; V318-S363 CarbonylContact O-C 3.55Å; V318-S363 WeakPolarHBondContact O-CA 3.43Å; V318-S363 WeakPolarHBondContact O-CB 3.49Å; V318-Y364 PolarHBondContact O-N 3.29Å; V318-F421 HydrophobicContact CG1-CD1 4.19Å; V318-F421 HydrophobicContact CG1-CE1 4.39Å
319R97.3Very high90.8Very high56 Ų5647.3 Ų47.321%0.21126%0.255CS..BIsolated β-bridgetrans-114.4139.5162.7-56.9-176.8178.6-69.9-19.8108.6T321 D325 E327 H344 K361R319-T321 PolarHBondContact O-N 3.24Å; R319-D325 WeakPolarHBondContact CA-O 3.48Å; R319-D325 HydrophobicContact CB-CB 3.99Å; R319-D325 VanDerWaalsContact CB-O 3.26Å; R319-D325 WeakPolarHBondContact CB-O 3.29Å; R319-D325 WeakPolarHBondContact CG-O 3.39Å; R319-D325 PolarHBondContact N-O 2.91Å; R319-E327 IonicContact NH2-OE2 2.62Å; R319-E327 PolarHBondContact NH2-OE2 2.88Å; R319-H344 PolarHBondContact O-CE1 2.76Å; R319-K361 PolarHBondContact NH1-O 2.88Å
320F97.7Very high90.7Very high1 Ų146.3 Ų46.30%0.00426%0.258CS..THydrogen-bonded Turntrans-79.816.5-171.2-47.1-81.3000114.1V318 W346 L347 V348 V359 Y364 L367 F392 L393V318-F320 HydrophobicContact CG2-CE1 4.22Å; F320-W346 HydrophobicContact CD1-CD2 4.33Å; F320-W346 HydrophobicContact CD1-CG 4.11Å; F320-W346 AromaticContact CE1-CD2 3.76Å; F320-W346 HydrophobicContact CE1-CD2 3.76Å; F320-W346 AromaticContact CE1-CE2 3.78Å; F320-W346 HydrophobicContact CE1-CE3 4.2Å; F320-W346 HydrophobicContact CE1-CG 4.03Å; F320-W346 HydrophobicContact CE1-CZ2 4.3Å; F320-W346 AromaticContact CE1-NE1 3.95Å; F320-L347 WeakPolarHBondContact O-CA 3.33Å; F320-V348 HydrophobicContact CB-CB 4.48Å; F320-V348 PolarHBondContact O-N 2.74Å; F320-V359 HydrophobicContact CB-CG1 3.8Å; F320-V359 HydrophobicContact CD2-CG1 3.37Å; F320-V359 HydrophobicContact CE2-CG1 4.24Å; F320-V359 HydrophobicContact CG-CG1 3.84Å; F320-Y364 HydrophobicContact CZ-CD2 4.21Å; F320-L367 HydrophobicContact CD2-CD2 4.19Å; F320-L367 HydrophobicContact CE2-CB 4.09Å; F320-L367 HydrophobicContact CE2-CD2 3.53Å; F320-L367 HydrophobicContact CE2-CG 4.43Å; F320-L367 HydrophobicContact CZ-CD2 3.92Å; F320-F392 HydrophobicContact CB-CE1 4.44Å; F320-F392 HydrophobicContact CB-CZ 4.27Å; F320-F392 AromaticContact CD1-CE1 3.55Å; F320-F392 HydrophobicContact CD1-CE1 3.55Å; F320-F392 AromaticContact CD1-CZ 3.67Å; F320-F392 HydrophobicContact CD1-CZ 3.67Å; F320-F392 HydrophobicContact CD2-CE1 4.35Å; F320-F392 AromaticContact CE1-CE1 3.78Å; F320-F392 HydrophobicContact CE1-CE1 3.78Å; F320-F392 HydrophobicContact CE1-CZ 4.25Å; F320-F392 AromaticContact CG-CE1 3.84Å; F320-F392 HydrophobicContact CG-CE1 3.84Å; F320-F392 HydrophobicContact CG-CZ 4.05Å; F320-F392 HydrophobicContact CZ-CE1 4.27Å; F320-L393 HydrophobicContact CE1-CD2 4.25Å; F320-L393 HydrophobicContact CZ-CD2 4.02Å
321T96.4Very high90.6Very high59 Ų5946.9 Ų46.936%0.36226%0.261SS..THydrogen-bonded Turntrans-98.2-19-166.444.30000115.7R319 D325 K361R319-T321 PolarHBondContact O-N 3.24Å; T321-D325 WeakPolarHBondContact CB-OD2 3.45Å; T321-D325 PolarHBondContact OG1-OD2 2.75Å; T321-K361 HydrophobicContact CG2-CB 4.4Å; T321-K361 HydrophobicContact CG2-CG 4.23Å
322G96.9Very high90.8Very high6 Ų645.6 Ų45.66%0.06225%0.252CS..SBendtrans-176.2151.9-176.700000110.7T324 D325 H344 E407G322-T324 PolarHBondContact O-N 2.77Å; G322-D325 PolarHBondContact N-OD2 2.96Å; G322-D325 WeakPolarHBondContact O-CB 3.39Å; G322-D325 PolarHBondContact O-N 2.81Å; G322-H344 PolarHBondContact O-CE1 3.26Å; G322-H344 PolarHBondContact O-NE2 2.9Å; G322-H344 VanDerWaalsContact O-NE2 3.08Å; G322-E407 VanDerWaalsContact CA-OE1 3.32Å; G322-E407 WeakPolarHBondContact CA-OE1 3.49Å
323V97.4Very high91.1Very high0 Ų040 Ų400%022%0.217CC..THydrogen-bonded Turntrans-66.7-7.2-170.7-65.30000115.9Y343 H344 L347 E407 L408 T411V323-Y343 HydrophobicContact CB-CD1 4.47Å; V323-Y343 HydrophobicContact CG2-CD1 4.14Å; V323-Y343 HydrophobicContact CG2-CE1 4.41Å; V323-Y343 CarbonylContact O-C 3.56Å; V323-Y343 VanDerWaalsContact O-CA 3.28Å; V323-Y343 WeakPolarHBondContact O-CA 3.32Å; V323-H344 WeakPolarHBondContact CA-O 3.37Å; V323-H344 VanDerWaalsContact CB-O 3.31Å; V323-H344 WeakPolarHBondContact CB-O 3.38Å; V323-H344 WeakPolarHBondContact CG1-O 3.47Å; V323-H344 PolarHBondContact O-CD2 2.64Å; V323-H344 PolarHBondContact O-N 3.45Å; V323-L347 HydrophobicContact CB-CD1 4.47Å; V323-L347 HydrophobicContact CG1-CD1 3.7Å; V323-L347 HydrophobicContact CG1-CD2 4.08Å; V323-E407 HydrophobicContact CG1-CB 3.92Å; V323-E407 HydrophobicContact CG1-CG 4.03Å; V323-E407 HydrophobicContact CG2-CG 4.37Å; V323-E407 PolarHBondContact N-OE1 2.88Å; V323-L408 HydrophobicContact CB-CD1 4.15Å; V323-L408 HydrophobicContact CG1-CB 3.99Å; V323-L408 HydrophobicContact CG1-CD1 4.43Å; V323-L408 HydrophobicContact CG2-CD1 4.38Å; V323-T411 HydrophobicContact CG2-CG2 3.8Å
324T96.6Very high91.7Very high76 Ų7638.3 Ų38.347%0.46620%0.2SC..THydrogen-bonded Turntrans-108.6-0.1177.446.10000113.5G322 F326 Y343G322-T324 PolarHBondContact O-N 2.77Å; T324-F326 WeakPolarHBondContact O-CD2 3.3Å; T324-F326 PolarHBondContact O-N 2.9Å; T324-Y343 HydrophobicContact CG2-CD1 3.75Å; T324-Y343 HydrophobicContact CG2-CE1 3.57Å
325D96.3Very high92Very high54 Ų5437.7 Ų37.729%0.28920%0.197SC..  trans-90.374.2-158.3-677.9000111.8R319 T321 G322 H344R319-D325 WeakPolarHBondContact CA-O 3.48Å; R319-D325 HydrophobicContact CB-CB 3.99Å; R319-D325 VanDerWaalsContact CB-O 3.26Å; R319-D325 WeakPolarHBondContact CB-O 3.29Å; R319-D325 WeakPolarHBondContact CG-O 3.39Å; R319-D325 PolarHBondContact N-O 2.91Å; T321-D325 WeakPolarHBondContact CB-OD2 3.45Å; T321-D325 PolarHBondContact OG1-OD2 2.75Å; G322-D325 PolarHBondContact N-OD2 2.96Å; G322-D325 WeakPolarHBondContact O-CB 3.39Å; G322-D325 PolarHBondContact O-N 2.81Å; D325-H344 PolarHBondContact N-NE2 3Å
326F95.3Very high92.3Very high35 Ų3537 Ų3715%0.15419%0.193CC..BIsolated β-bridgetrans-86.8151.2170.6-62.7-91.5000111.6V316 V318 T324 L342 H344 F421V316-F326 HydrophobicContact CB-CD1 4.11Å; V316-F326 HydrophobicContact CB-CE1 4.23Å; V316-F326 HydrophobicContact CG2-CE1 4.47Å; V318-F326 HydrophobicContact CG1-CD1 3.93Å; V318-F326 HydrophobicContact CG1-CE1 3.61Å; V318-F326 HydrophobicContact CG1-CZ 4.39Å; T324-F326 WeakPolarHBondContact O-CD2 3.3Å; T324-F326 PolarHBondContact O-N 2.9Å; F326-L342 HydrophobicContact CD1-CD2 4.33Å; F326-L342 HydrophobicContact CD2-CD2 4.07Å; F326-L342 HydrophobicContact CD2-CG 4.27Å; F326-L342 HydrophobicContact CE1-CD2 4.07Å; F326-L342 HydrophobicContact CE1-CG 4.37Å; F326-L342 HydrophobicContact CE2-CB 4.23Å; F326-L342 HydrophobicContact CE2-CD2 3.82Å; F326-L342 HydrophobicContact CE2-CG 3.59Å; F326-L342 HydrophobicContact CG-CD2 4.33Å; F326-L342 HydrophobicContact CZ-CD1 4.43Å; F326-L342 HydrophobicContact CZ-CD2 3.81Å; F326-L342 HydrophobicContact CZ-CG 3.65Å; F326-H344 AromaticContact CE2-CD2 3.59Å; F326-H344 HydrophobicContact CZ-CB 4.02Å; F326-H344 AromaticContact CZ-CD2 3.5Å; F326-F421 HydrophobicContact CZ-CB 4.42Å
327E93.3Very high92.3Very high68 Ų6836.5 Ų36.532%0.31819%0.189SC..  trans-71.1131.9157.7-169.2162.9175.900109.5N317 R319 T329 S363N317-E327 HydrophobicContact CB-CB 4.17Å; N317-E327 PolarHBondContact ND2-OE2 3.35Å; N317-E327 PolarHBondContact O-N 3.39Å; R319-E327 IonicContact NH2-OE2 2.62Å; R319-E327 PolarHBondContact NH2-OE2 2.88Å; E327-T329 PolarHBondContact O-N 3.15Å; E327-S363 WeakPolarHBondContact OE2-CB 3.47Å; E327-S363 PolarHBondContact OE2-OG 2.84Å
328Y86.6Confident92.2Very high139 Ų13936 Ų3655%0.54519%0.187SC..  trans-72.5100-173.7-175.9-91.8000111.2I333Y328-I333 VanDerWaalsContact OH-CD1 3.26Å; Y328-I333 WeakPolarHBondContact OH-CD1 3.5Å; Y328-I333 WeakPolarHBondContact OH-CG1 3.41Å
329T85.4Confident92Very high28 Ų2839.1 Ų39.117%0.17220%0.203CC..  trans-90.7148.6166.955.10000109.8D315 E327 E331 C332D315-T329 PolarHBondContact O-OG1 3.03Å; E327-T329 PolarHBondContact O-N 3.15Å; T329-E331 WeakPolarHBondContact CB-OE2 3.44Å; T329-E331 PolarHBondContact O-N 2.84Å; T329-E331 VanDerWaalsContact O-N 3.09Å; T329-C332 WeakPolarHBondContact O-CB 3.46Å; T329-C332 PolarHBondContact O-N 2.84Å; T329-C332 PolarHBondContact OG1-SG 3.28Å; T329-C332 VanDerWaalsContact OG1-SG 3.37Å
330P84Confident92Very high71 Ų7136.7 Ų36.746%0.46119%0.194SC..G310 helixtrans-50.7-32.4172.7-28.835.8000113.2V306 C332 I333V306-P330 HydrophobicContact CG1-CB 3.96Å; P330-C332 VanDerWaalsContact C-N 3.29Å; P330-C332 PolarHBondContact O-N 2.75Å; P330-I333 WeakPolarHBondContact O-CB 3.06Å; P330-I333 WeakPolarHBondContact O-CG2 3.41Å; P330-I333 PolarHBondContact O-N 2.88Å
331E82.1Confident91.9Very high13 Ų1338 Ų386%0.06120%0.203CC..G310 helixtrans-54.7-36.3174.2-74.864.3-142.700113.8K309 L314 T329 I333K309-E331 HydrophobicContact CD-CG 4.26Å; K309-E331 WeakPolarHBondContact CD-OE1 3.49Å; K309-E331 WeakPolarHBondContact CE-OE1 3.35Å; K309-E331 IonicContact NZ-OE1 2.66Å; K309-E331 PolarHBondContact NZ-OE1 3.24Å; L314-E331 HydrophobicContact CD1-CB 3.52Å; L314-E331 HydrophobicContact CD1-CG 3.62Å; L314-E331 HydrophobicContact CG-CB 4.12Å; L314-E331 HydrophobicContact CG-CG 4.46Å; T329-E331 WeakPolarHBondContact CB-OE2 3.44Å; T329-E331 PolarHBondContact O-N 2.84Å; T329-E331 VanDerWaalsContact O-N 3.09Å; E331-I333 VanDerWaalsContact C-N 3.27Å; E331-I333 PolarHBondContact O-N 2.84Å
332C87.8Confident91.9Very high12 Ų1236.1 Ų36.18%0.08119%0.19CC..G310 helixtrans-69.7-20.7-179.2-73.10000113.6T329 P330 V334 F335T329-C332 WeakPolarHBondContact O-CB 3.46Å; T329-C332 PolarHBondContact O-N 2.84Å; T329-C332 PolarHBondContact OG1-SG 3.28Å; T329-C332 VanDerWaalsContact OG1-SG 3.37Å; P330-C332 VanDerWaalsContact C-N 3.29Å; P330-C332 PolarHBondContact O-N 2.75Å; C332-V334 PolarHBondContact O-N 3.45Å; C332-F335 WeakPolarHBondContact O-CB 3.49Å; C332-F335 WeakPolarHBondContact O-CD2 3.22Å; C332-F335 PolarHBondContact O-N 2.91Å
333I89.5Confident91.9Very high4 Ų436.3 Ų36.32%0.02119%0.189CC..Hα-helixtrans-60.8-25.1-173.4-151.4169.2000113.6N299 D302 A303 V306 Y328 P330 E331 F335 D336 L337N299-I333 VanDerWaalsContact CA-CD1 3.5Å; N299-I333 HydrophobicContact CB-CD1 3.59Å; N299-I333 HydrophobicContact CB-CG1 4.15Å; D302-I333 HydrophobicContact CB-CD1 4.15Å; A303-I333 HydrophobicContact CB-CG2 3.82Å; V306-I333 HydrophobicContact CG2-CG2 4.35Å; Y328-I333 VanDerWaalsContact OH-CD1 3.26Å; Y328-I333 WeakPolarHBondContact OH-CD1 3.5Å; Y328-I333 WeakPolarHBondContact OH-CG1 3.41Å; P330-I333 WeakPolarHBondContact O-CB 3.06Å; P330-I333 WeakPolarHBondContact O-CG2 3.41Å; P330-I333 PolarHBondContact O-N 2.88Å; E331-I333 VanDerWaalsContact C-N 3.27Å; E331-I333 PolarHBondContact O-N 2.84Å; I333-F335 VanDerWaalsContact C-N 3.31Å; I333-F335 PolarHBondContact O-N 3.36Å; I333-D336 PolarHBondContact O-N 3.43Å; I333-L337 WeakPolarHBondContact O-CG 3.06Å; I333-L337 PolarHBondContact O-N 3.06Å; I333-L337 VanDerWaalsContact O-N 3.07Å
334V91.1Very high92Very high0 Ų036.3 Ų36.30%019%0.19CC..Hα-helixtrans-66.1-35.3178.6-175.80000111.1I248 A303 V306 L307 L310 C332 L338I248-V334 HydrophobicContact CD1-CG1 4.16Å; A303-V334 HydrophobicContact CB-CG2 4.36Å; V306-V334 HydrophobicContact CG2-CG2 3.71Å; L307-V334 HydrophobicContact CD2-CG1 4.04Å; L307-V334 HydrophobicContact CD2-CG2 3.9Å; L310-V334 HydrophobicContact CD1-CG1 4.22Å; L310-V334 HydrophobicContact CD1-CG2 4.43Å; C332-V334 PolarHBondContact O-N 3.45Å; V334-L338 HydrophobicContact CG1-CD1 3.82Å; V334-L338 WeakPolarHBondContact O-CB 3.27Å; V334-L338 WeakPolarHBondContact O-CD1 3.25Å; V334-L338 VanDerWaalsContact O-CG 3.23Å; V334-L338 WeakPolarHBondContact O-CG 3.39Å; V334-L338 PolarHBondContact O-N 2.72Å
335F92.8Very high92Very high4 Ų432.7 Ų32.72%0.01817%0.167CC..Hα-helixtrans-69-45.4177.8-64.5-92.6000110.8I248 L314 C332 I333 L338 N339 I340 L342 V419I248-F335 HydrophobicContact CD1-CE1 4.01Å; I248-F335 HydrophobicContact CD1-CE2 4.16Å; I248-F335 HydrophobicContact CD1-CZ 3.75Å; I248-F335 HydrophobicContact CG1-CD1 4.42Å; I248-F335 HydrophobicContact CG1-CE1 3.78Å; I248-F335 HydrophobicContact CG1-CZ 4.01Å; L314-F335 HydrophobicContact CD2-CE2 3.66Å; L314-F335 HydrophobicContact CD2-CZ 3.97Å; C332-F335 WeakPolarHBondContact O-CB 3.49Å; C332-F335 WeakPolarHBondContact O-CD2 3.22Å; C332-F335 PolarHBondContact O-N 2.91Å; I333-F335 VanDerWaalsContact C-N 3.31Å; I333-F335 PolarHBondContact O-N 3.36Å; F335-L338 PolarHBondContact O-N 3.1Å; F335-N339 PolarHBondContact O-N 3.16Å; F335-I340 WeakPolarHBondContact CB-O 3.49Å; F335-I340 HydrophobicContact CD1-CB 4.38Å; F335-I340 HydrophobicContact CD1-CG2 4.06Å; F335-I340 PolarHBondContact O-N 2.86Å; F335-L342 HydrophobicContact CD1-CB 4.14Å; F335-L342 HydrophobicContact CD1-CD1 4.28Å; F335-L342 HydrophobicContact CD2-CD2 4.49Å; F335-L342 HydrophobicContact CE1-CD1 3.92Å; F335-L342 HydrophobicContact CG-CB 4.32Å; F335-L342 HydrophobicContact CZ-CD1 4.25Å; F335-V419 HydrophobicContact CD1-CB 4.43Å; F335-V419 HydrophobicContact CE1-CB 3.9Å; F335-V419 HydrophobicContact CE1-CG1 4.02Å; F335-V419 HydrophobicContact CE1-CG2 4.04Å
336D90.8Very high92.1Very high108 Ų10830.8 Ų30.858%0.57816%0.156SC*.Hα-helixtrans-61.3-50.9178.1-72.8-34.3000112.2I333 L338 N339I333-D336 PolarHBondContact O-N 3.43Å; D336-L338 PolarHBondContact O-N 2.91Å; D336-N339 WeakPolarHBondContact O-CA 3.32Å; D336-N339 PolarHBondContact O-N 3.43Å
337L90.6Very high92.2Very high18 Ų1829.2 Ų29.29%0.09415%0.149CC..Hα-helixtrans-60.4-42.4179.6-72.5175.7000112.6V280 V283 F296 N299 A303 I333 N339V280-L337 HydrophobicContact CG1-CD1 4.23Å; V283-L337 WeakPolarHBondContact CG1-O 3.15Å; V283-L337 WeakPolarHBondContact CG2-O 3.2Å; F296-L337 HydrophobicContact CD2-CD2 4.07Å; F296-L337 HydrophobicContact CE2-CD2 3.73Å; N299-L337 HydrophobicContact CB-CD2 4.13Å; A303-L337 HydrophobicContact CB-CD1 3.49Å; A303-L337 VanDerWaalsContact CB-CD1 3.49Å; I333-L337 WeakPolarHBondContact O-CG 3.06Å; I333-L337 PolarHBondContact O-N 3.06Å; I333-L337 VanDerWaalsContact O-N 3.07Å; L337-N339 PolarHBondContact O-N 3.4Å
338L91.7Very high92.4Very high0 Ų026.6 Ų26.60%014%0.138CC..Hα-helixtrans-76.3-7.8178.5-64.2173.9000113.1I248 L252 R255 K257 L276 C279 V280 V283 V334 F335 D336 I340I248-L338 HydrophobicContact CG2-CD1 3.67Å; L252-L338 HydrophobicContact CD1-CD1 4.27Å; L252-L338 HydrophobicContact CD2-CD2 4.29Å; R255-L338 PolarHBondContact NH1-O 2.93Å; K257-L338 PolarHBondContact NZ-O 3.16Å; L276-L338 HydrophobicContact CD1-CD1 3.69Å; C279-L338 HydrophobicContact CB-CD2 4.08Å; C279-L338 WeakPolarHBondContact O-CD2 3.2Å; V280-L338 HydrophobicContact CG2-CD2 3.94Å; V280-L338 HydrophobicContact CG2-CG 4.32Å; V283-L338 HydrophobicContact CG2-CD2 4.42Å; V334-L338 HydrophobicContact CG1-CD1 3.82Å; V334-L338 WeakPolarHBondContact O-CB 3.27Å; V334-L338 WeakPolarHBondContact O-CD1 3.25Å; V334-L338 VanDerWaalsContact O-CG 3.23Å; V334-L338 WeakPolarHBondContact O-CG 3.39Å; V334-L338 PolarHBondContact O-N 2.72Å; F335-L338 PolarHBondContact O-N 3.1Å; D336-L338 PolarHBondContact O-N 2.91Å; L338-I340 HydrophobicContact CB-CD1 3.75Å; L338-I340 HydrophobicContact CB-CG1 3.88Å; L338-I340 HydrophobicContact CD1-CD1 4Å
339N93Very high92.8Very high70 Ų7022.6 Ų22.637%0.37413%0.126SC..THydrogen-bonded Turntrans52.455-169.2-168.7102.1000111.3R255 R286 F335 D336 L337R255-N339 VanDerWaalsContact CZ-O 3.29Å; R255-N339 PolarHBondContact NH1-O 3.45Å; R255-N339 PolarHBondContact NH2-O 2.95Å; R286-N339 PolarHBondContact NH2-OD1 3.42Å; F335-N339 PolarHBondContact O-N 3.16Å; D336-N339 WeakPolarHBondContact O-CA 3.32Å; D336-N339 PolarHBondContact O-N 3.43Å; L337-N339 PolarHBondContact O-N 3.4Å
340I95.8Very high93.3Very high5 Ų525.2 Ų25.23%0.02614%0.143CC..  trans-109.2111.9174.2-63173.7000106.4I248 T251 L252 F335 L338 L342 V419I248-I340 HydrophobicContact CG2-CD1 4Å; T251-I340 HydrophobicContact CG2-CD1 3.84Å; T251-I340 HydrophobicContact CG2-CG1 3.82Å; T251-I340 HydrophobicContact CG2-CG2 4.07Å; L252-I340 HydrophobicContact CD2-CD1 4.4Å; F335-I340 WeakPolarHBondContact CB-O 3.49Å; F335-I340 HydrophobicContact CD1-CB 4.38Å; F335-I340 HydrophobicContact CD1-CG2 4.06Å; F335-I340 PolarHBondContact O-N 2.86Å; L338-I340 HydrophobicContact CB-CD1 3.75Å; L338-I340 HydrophobicContact CB-CG1 3.88Å; L338-I340 HydrophobicContact CD1-CD1 4Å; I340-L342 PolarHBondContact O-N 3.15Å; I340-V419 HydrophobicContact CG2-CB 4.35Å; I340-V419 HydrophobicContact CG2-CG2 3.79Å
341P96.5Very high93.8Very high27 Ų2730 Ų3018%0.17516%0.16CC..  trans-60133.3172.1-2132.2000110Y343 E416 S418 V419P341-Y343 HydrophobicContact CB-CD2 4.16Å; P341-Y343 HydrophobicContact CB-CE2 3.53Å; P341-Y343 HydrophobicContact CG-CE2 4.45Å; P341-E416 HydrophobicContact CG-CG 4.28Å; P341-S418 WeakPolarHBondContact O-CA 3.32Å; P341-S418 WeakPolarHBondContact O-CB 3.4Å; P341-V419 PolarHBondContact O-N 3.24Å
342L96.6Very high94.4Very high20 Ų2031.5 Ų31.511%0.10517%0.171CC..EExtended strand (participates in β ladder)trans-102.9132.3167.8-17765.3000108.1F326 F335 I340 V419 F426F326-L342 HydrophobicContact CD1-CD2 4.33Å; F326-L342 HydrophobicContact CD2-CD2 4.07Å; F326-L342 HydrophobicContact CD2-CG 4.27Å; F326-L342 HydrophobicContact CE1-CD2 4.07Å; F326-L342 HydrophobicContact CE1-CG 4.37Å; F326-L342 HydrophobicContact CE2-CB 4.23Å; F326-L342 HydrophobicContact CE2-CD2 3.82Å; F326-L342 HydrophobicContact CE2-CG 3.59Å; F326-L342 HydrophobicContact CG-CD2 4.33Å; F326-L342 HydrophobicContact CZ-CD1 4.43Å; F326-L342 HydrophobicContact CZ-CD2 3.81Å; F326-L342 HydrophobicContact CZ-CG 3.65Å; F335-L342 HydrophobicContact CD1-CB 4.14Å; F335-L342 HydrophobicContact CD1-CD1 4.28Å; F335-L342 HydrophobicContact CD2-CD2 4.49Å; F335-L342 HydrophobicContact CE1-CD1 3.92Å; F335-L342 HydrophobicContact CG-CB 4.32Å; F335-L342 HydrophobicContact CZ-CD1 4.25Å; I340-L342 PolarHBondContact O-N 3.15Å; L342-V419 CarbonylContact C-O 3.57Å; L342-V419 WeakPolarHBondContact CA-O 3.42Å; L342-V419 HydrophobicContact CD1-CB 4.09Å; L342-V419 HydrophobicContact CD1-CG1 3.84Å; L342-F426 HydrophobicContact CD1-CD1 4.18Å; L342-F426 HydrophobicContact CD1-CE1 4.14Å
343Y97.7Very high94.8Very high10 Ų1035.3 Ų35.34%0.03920%0.196CC..EExtended strand (participates in β ladder)trans-132.9156-178.2-66.6-66.9000112.1V323 T324 P341 L408 T411 A412 V419 F420 F421 M429V323-Y343 HydrophobicContact CB-CD1 4.47Å; V323-Y343 HydrophobicContact CG2-CD1 4.14Å; V323-Y343 HydrophobicContact CG2-CE1 4.41Å; V323-Y343 CarbonylContact O-C 3.56Å; V323-Y343 VanDerWaalsContact O-CA 3.28Å; V323-Y343 WeakPolarHBondContact O-CA 3.32Å; T324-Y343 HydrophobicContact CG2-CD1 3.75Å; T324-Y343 HydrophobicContact CG2-CE1 3.57Å; P341-Y343 HydrophobicContact CB-CD2 4.16Å; P341-Y343 HydrophobicContact CB-CE2 3.53Å; P341-Y343 HydrophobicContact CG-CE2 4.45Å; Y343-L408 HydrophobicContact CD1-CD1 3.94Å; Y343-L408 HydrophobicContact CD2-CD1 4.23Å; Y343-L408 HydrophobicContact CG-CD1 3.68Å; Y343-T411 HydrophobicContact CE1-CG2 4.05Å; Y343-A412 HydrophobicContact CE2-CB 4.46Å; Y343-V419 PolarHBondContact N-O 3.34Å; Y343-F420 CarbonylContact O-C 3.51Å; Y343-F420 WeakPolarHBondContact O-CA 3.46Å; Y343-F421 PolarHBondContact O-N 3.03Å; Y343-M429 HydrophobicContact CD2-CE 3.69Å; Y343-M429 HydrophobicContact CE2-CE 4.28Å; Y343-M429 HydrophobicContact CG-CE 4.42Å
344H97.6Very high95Very high1 Ų142.2 Ų42.21%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-135166.3163.163.4103.3000109.9V318 R319 G322 V323 D325 F326 W346V318-H344 HydrophobicContact CG1-CB 4.05Å; R319-H344 PolarHBondContact O-CE1 2.76Å; G322-H344 PolarHBondContact O-CE1 3.26Å; G322-H344 PolarHBondContact O-NE2 2.9Å; G322-H344 VanDerWaalsContact O-NE2 3.08Å; V323-H344 WeakPolarHBondContact CA-O 3.37Å; V323-H344 VanDerWaalsContact CB-O 3.31Å; V323-H344 WeakPolarHBondContact CB-O 3.38Å; V323-H344 WeakPolarHBondContact CG1-O 3.47Å; V323-H344 PolarHBondContact O-CD2 2.64Å; V323-H344 PolarHBondContact O-N 3.45Å; D325-H344 PolarHBondContact N-NE2 3Å; F326-H344 AromaticContact CE2-CD2 3.59Å; F326-H344 HydrophobicContact CZ-CB 4.02Å; F326-H344 AromaticContact CZ-CD2 3.5Å; H344-W346 PolarHBondContact ND1-O 2.84Å
345G97.3Very high95.3Very high0 Ų043.3 Ų43.30%024%0.235CC..BIsolated β-bridgetrans-117.411175.600000113.9L347 S401G345-L347 PolarHBondContact O-N 3.37Å; G345-S401 PolarHBondContact O-N 2.93Å; G345-S401 PolarHBondContact O-OG 2.92Å
346W97.8Very high95.4Very high13 Ų1345.7 Ų45.75%0.04925%0.25CC..  trans-84.986.6178.5-158.82.5000110.4V318 F320 H344 Y364 L393 T396 Q399V318-W346 HydrophobicContact CG2-CE3 3.82Å; V318-W346 HydrophobicContact CG2-CZ3 4.41Å; F320-W346 HydrophobicContact CD1-CD2 4.33Å; F320-W346 HydrophobicContact CD1-CG 4.11Å; F320-W346 AromaticContact CE1-CD2 3.76Å; F320-W346 HydrophobicContact CE1-CD2 3.76Å; F320-W346 AromaticContact CE1-CE2 3.78Å; F320-W346 HydrophobicContact CE1-CE3 4.2Å; F320-W346 HydrophobicContact CE1-CG 4.03Å; F320-W346 HydrophobicContact CE1-CZ2 4.3Å; F320-W346 AromaticContact CE1-NE1 3.95Å; H344-W346 PolarHBondContact ND1-O 2.84Å; W346-Y364 AromaticContact CH2-CD2 3.61Å; W346-Y364 HydrophobicContact CH2-CD2 3.61Å; W346-Y364 AromaticContact CH2-CE2 3.69Å; W346-Y364 HydrophobicContact CH2-CE2 3.69Å; W346-Y364 HydrophobicContact CZ2-CD2 4.46Å; W346-Y364 AromaticContact CZ3-CD2 3.86Å; W346-Y364 HydrophobicContact CZ3-CD2 3.86Å; W346-Y364 HydrophobicContact CZ3-CE2 4.23Å; W346-L393 HydrophobicContact CH2-CD2 4.06Å; W346-L393 HydrophobicContact CZ2-CD2 3.51Å; W346-T396 PolarHBondContact NE1-OG1 3.32Å; W346-Q399 HydrophobicContact CB-CB 4.45Å; W346-Q399 WeakPolarHBondContact CB-O 3.11Å; W346-Q399 HydrophobicContact CD2-CB 3.96Å; W346-Q399 HydrophobicContact CD2-CG 4.1Å; W346-Q399 HydrophobicContact CE3-CB 3.77Å; W346-Q399 HydrophobicContact CE3-CG 3.62Å; W346-Q399 HydrophobicContact CG-CB 4.31Å; W346-Q399 HydrophobicContact CH2-CG 4.02Å; W346-Q399 HydrophobicContact CZ2-CG 4.44Å; W346-Q399 HydrophobicContact CZ3-CB 4.29Å; W346-Q399 HydrophobicContact CZ3-CG 3.61Å
347L97.8Very high95.7Very high2 Ų243.8 Ų43.81%0.0125%0.249CC..  trans-120.6157.2-179.8-81.770.5000110F320 V323 G345 S401 E407F320-L347 WeakPolarHBondContact O-CA 3.33Å; V323-L347 HydrophobicContact CB-CD1 4.47Å; V323-L347 HydrophobicContact CG1-CD1 3.7Å; V323-L347 HydrophobicContact CG1-CD2 4.08Å; G345-L347 PolarHBondContact O-N 3.37Å; L347-S401 PolarHBondContact N-OG 3.46Å; L347-S401 WeakPolarHBondContact O-CB 3.37Å; L347-S401 PolarHBondContact O-OG 3.01Å; L347-E407 HydrophobicContact CD2-CB 4.38Å; L347-E407 WeakPolarHBondContact CD2-OE2 3.26Å
348V97.3Very high95.9Very high14 Ų1443 Ų439%0.08525%0.245CC..  trans-76.4147.5163.769.30000109.7F320 T355 V356 F392 H403F320-V348 HydrophobicContact CB-CB 4.48Å; F320-V348 PolarHBondContact O-N 2.74Å; V348-T355 HydrophobicContact CG2-CG2 3.64Å; V348-V356 HydrophobicContact CG1-CG2 4.09Å; V348-V356 HydrophobicContact CG2-CG2 3.9Å; V348-F392 HydrophobicContact CB-CE2 4.32Å; V348-F392 HydrophobicContact CB-CZ 4.42Å; V348-F392 HydrophobicContact CG2-CE2 4.48Å; V348-H403 PolarHBondContact O-ND1 2.99Å
349D96.2Very high96.1Very high54 Ų5443.1 Ų43.129%0.28925%0.246SC..  trans-85123.3175.1-165.5-34.5000110.2Q351 S352 V356 H403D349-Q351 PolarHBondContact O-N 2.87Å; D349-Q351 VanDerWaalsContact O-N 3.07Å; D349-Q351 VanDerWaalsContact OD1-CB 3.3Å; D349-Q351 WeakPolarHBondContact OD1-CB 3.41Å; D349-Q351 WeakPolarHBondContact OD1-CG 3.39Å; D349-Q351 PolarHBondContact OD1-N 2.89Å; D349-S352 PolarHBondContact O-N 3.47Å; D349-S352 VanDerWaalsContact O-N 3.09Å; D349-S352 PolarHBondContact O-OG 2.8Å; D349-V356 WeakPolarHBondContact O-CG2 3.34Å; D349-H403 HydrophobicContact CB-CB 4.26Å
350P95.3Very high96.2Very high83 Ų8341.3 Ų41.354%0.53924%0.243SC..THydrogen-bonded Turntrans-57.5-17.9173.5-25.635.9000114.7S352 H403P350-S352 VanDerWaalsContact C-N 3.33Å; P350-H403 VanDerWaalsContact CD-CD2 3.43Å; P350-H403 WeakPolarHBondContact CD-CD2 3.44Å; P350-H403 WeakPolarHBondContact CD-NE2 3.35Å
351Q94.9Very high96.2Very high173 Ų17349.3 Ų49.381%0.80828%0.278SS*.THydrogen-bonded Turntrans-74.7-17.2176.1-61.3-172.42300113.8D349 P353D349-Q351 PolarHBondContact O-N 2.87Å; D349-Q351 VanDerWaalsContact O-N 3.07Å; D349-Q351 VanDerWaalsContact OD1-CB 3.3Å; D349-Q351 WeakPolarHBondContact OD1-CB 3.41Å; D349-Q351 WeakPolarHBondContact OD1-CG 3.39Å; D349-Q351 PolarHBondContact OD1-N 2.89Å; Q351-P353 WeakPolarHBondContact O-CD 3.41Å
352S95.3Very high96.2Very high43 Ų4350.2 Ų50.230%0.30128%0.281SS..  trans-107.580.2176.363.50000111.5D349 P350 E354 T355 V356D349-S352 PolarHBondContact O-N 3.47Å; D349-S352 VanDerWaalsContact O-N 3.09Å; D349-S352 PolarHBondContact O-OG 2.8Å; P350-S352 VanDerWaalsContact C-N 3.33Å; S352-E354 PolarHBondContact O-N 3.13Å; S352-E354 VanDerWaalsContact O-N 3.11Å; S352-T355 WeakPolarHBondContact CB-OG1 3.4Å; S352-T355 WeakPolarHBondContact O-CA 3.46Å; S352-T355 WeakPolarHBondContact O-CB 3.31Å; S352-T355 PolarHBondContact O-N 2.91Å; S352-T355 WeakPolarHBondContact OG-CB 3.47Å; S352-T355 PolarHBondContact OG-OG1 2.69Å; S352-V356 PolarHBondContact O-N 3Å
353P94.7Very high96.2Very high92 Ų9249.3 Ų49.360%0.59728%0.276SS*.Hα-helixtrans-61.5-26.5-172.225.2-35.9000113.7Q351 V356 A357Q351-P353 WeakPolarHBondContact O-CD 3.41Å; P353-V356 PolarHBondContact O-N 2.92Å; P353-A357 WeakPolarHBondContact O-CB 3.28Å; P353-A357 PolarHBondContact O-N 2.82Å
354E95.3Very high96.2Very high150 Ų15053.1 Ų53.170%0.70129%0.292SS*.Hα-helixtrans-63.6-43.7172.6-61.9178.6-17800111.2S352 A357 A358 V388S352-E354 PolarHBondContact O-N 3.13Å; S352-E354 VanDerWaalsContact O-N 3.11Å; E354-A357 PolarHBondContact O-N 3.02Å; E354-A358 WeakPolarHBondContact O-CB 3.46Å; E354-A358 PolarHBondContact O-N 3.43Å; E354-V388 HydrophobicContact CB-CG1 4.49Å
355T95.6Very high96.1Very high22 Ų2257.1 Ų57.114%0.13531%0.313CS..Hα-helixtrans-68.1-42.3174.6-35.50000111.6V348 S352 A357 A358 V359 V388 F392V348-T355 HydrophobicContact CG2-CG2 3.64Å; S352-T355 WeakPolarHBondContact CB-OG1 3.4Å; S352-T355 WeakPolarHBondContact O-CA 3.46Å; S352-T355 WeakPolarHBondContact O-CB 3.31Å; S352-T355 PolarHBondContact O-N 2.91Å; S352-T355 WeakPolarHBondContact OG-CB 3.47Å; S352-T355 PolarHBondContact OG-OG1 2.69Å; T355-A357 VanDerWaalsContact C-N 3.28Å; T355-A357 PolarHBondContact O-N 2.7Å; T355-A358 PolarHBondContact O-N 2.87Å; T355-V359 HydrophobicContact CG2-CG2 4.09Å; T355-V359 WeakPolarHBondContact O-CB 3.46Å; T355-V359 WeakPolarHBondContact O-CG2 3.37Å; T355-V359 PolarHBondContact O-N 3.07Å; T355-V388 HydrophobicContact CG2-CG1 4.48Å; T355-F392 HydrophobicContact CG2-CB 3.63Å; T355-F392 HydrophobicContact CG2-CD2 3.77Å; T355-F392 HydrophobicContact CG2-CG 3.79Å
356V96.8Very high96.1Very high55 Ų5560.4 Ų60.433%0.33333%0.328SS..Hα-helixtrans-60.3-39.3176.4178.10000111.1V348 D349 S352 P353 G360V348-V356 HydrophobicContact CG1-CG2 4.09Å; V348-V356 HydrophobicContact CG2-CG2 3.9Å; D349-V356 WeakPolarHBondContact O-CG2 3.34Å; S352-V356 PolarHBondContact O-N 3Å; P353-V356 PolarHBondContact O-N 2.92Å; V356-G360 WeakPolarHBondContact O-CA 3.32Å; V356-G360 PolarHBondContact O-N 3.32Å
357A95.8Very high96.1Very high68 Ų6859.8 Ų59.856%0.56233%0.326SS*.Hα-helixtrans-67.9-45.9174.400000112.3P353 E354 T355P353-A357 WeakPolarHBondContact O-CB 3.28Å; P353-A357 PolarHBondContact O-N 2.82Å; E354-A357 PolarHBondContact O-N 3.02Å; T355-A357 VanDerWaalsContact C-N 3.28Å; T355-A357 PolarHBondContact O-N 2.7Å
358A95.1Very high96Very high2 Ų262 Ų622%0.01734%0.339CS..Hα-helixtrans-66.5-38.7-178.800000113.3E354 T355 K370 E385 V388 A389E354-A358 WeakPolarHBondContact O-CB 3.46Å; E354-A358 PolarHBondContact O-N 3.43Å; T355-A358 PolarHBondContact O-N 2.87Å; A358-K370 PolarHBondContact O-NZ 3.03Å; A358-E385 HydrophobicContact CB-CG 3.95Å; A358-V388 HydrophobicContact CB-CB 4.07Å; A358-V388 HydrophobicContact CB-CG1 3.84Å; A358-A389 HydrophobicContact CB-CB 4.32Å
359V96.3Very high96Very high1 Ų167.4 Ų67.41%0.00636%0.364CS..Hα-helixtrans-84.6-42.4-179.81760000111.9F320 T355 K361 L362 L367 F392F320-V359 HydrophobicContact CB-CG1 3.8Å; F320-V359 HydrophobicContact CD2-CG1 3.37Å; F320-V359 HydrophobicContact CE2-CG1 4.24Å; F320-V359 HydrophobicContact CG-CG1 3.84Å; T355-V359 HydrophobicContact CG2-CG2 4.09Å; T355-V359 WeakPolarHBondContact O-CB 3.46Å; T355-V359 WeakPolarHBondContact O-CG2 3.37Å; T355-V359 PolarHBondContact O-N 3.07Å; V359-K361 PolarHBondContact O-N 3.09Å; V359-L362 WeakPolarHBondContact O-CG 3.23Å; V359-L362 PolarHBondContact O-N 3.32Å; V359-L367 HydrophobicContact CB-CD1 4.46Å; V359-L367 HydrophobicContact CG1-CD2 4.23Å; V359-L367 HydrophobicContact CG2-CD1 4.31Å; V359-L367 HydrophobicContact CG2-CD2 4.05Å; V359-F392 HydrophobicContact CG2-CD1 3.66Å; V359-F392 HydrophobicContact CG2-CE1 4.03Å; V359-F392 HydrophobicContact CG2-CG 4.13Å
360G94.2Very high96Very high32 Ų3266.8 Ų66.833%0.3336%0.358SS..THydrogen-bonded Turntrans60.5-120.917800000113.4V356V356-G360 WeakPolarHBondContact O-CA 3.32Å; V356-G360 PolarHBondContact O-N 3.32Å
361K95.8Very high96Very high173 Ų17363.3 Ų63.375%0.75234%0.335SS*.THydrogen-bonded Turntrans-119.717-179.9-58.7-170.3177.1-172.10113.2R319 T321 V359R319-K361 PolarHBondContact NH1-O 2.88Å; T321-K361 HydrophobicContact CG2-CB 4.4Å; T321-K361 HydrophobicContact CG2-CG 4.23Å; V359-K361 PolarHBondContact O-N 3.09Å
362L96.8Very high96.1Very high47 Ų4759.4 Ų59.425%0.24632%0.319CS..  trans-70.9145.8-175.6-58.3177000110.3V359 Q366 L367 K370V359-L362 WeakPolarHBondContact O-CG 3.23Å; V359-L362 PolarHBondContact O-N 3.32Å; L362-Q366 HydrophobicContact CB-CB 3.95Å; L362-Q366 HydrophobicContact CD2-CB 4.1Å; L362-L367 HydrophobicContact CB-CB 4.35Å; L362-L367 HydrophobicContact CD1-CD1 4.03Å; L362-K370 HydrophobicContact CD1-CB 4.21Å; L362-K370 HydrophobicContact CD1-CD 3.45Å; L362-K370 VanDerWaalsContact CD1-CD 3.45Å; L362-K370 HydrophobicContact CD1-CG 4.46Å
363S97.1Very high96.1Very high0 Ų062.4 Ų62.40%033%0.332CS..BIsolated β-bridgetrans-77.8163.9163.453.80000110.4N317 V318 E327 N365 Q366 L367N317-S363 VanDerWaalsContact ND2-CB 3.27Å; N317-S363 WeakPolarHBondContact ND2-CB 3.39Å; N317-S363 PolarHBondContact ND2-OG 3.09Å; V318-S363 CarbonylContact O-C 3.55Å; V318-S363 WeakPolarHBondContact O-CA 3.43Å; V318-S363 WeakPolarHBondContact O-CB 3.49Å; E327-S363 WeakPolarHBondContact OE2-CB 3.47Å; E327-S363 PolarHBondContact OE2-OG 2.84Å; S363-N365 VanDerWaalsContact C-N 3.31Å; S363-N365 PolarHBondContact O-N 3.01Å; S363-Q366 WeakPolarHBondContact O-CB 3.27Å; S363-Q366 PolarHBondContact O-N 2.91Å; S363-Q366 VanDerWaalsContact OG-CD 3.29Å; S363-Q366 WeakPolarHBondContact OG-CG 3.49Å; S363-Q366 PolarHBondContact OG-OE1 2.84Å; S363-L367 PolarHBondContact O-N 3.48Å
364Y97.1Very high96.1Very high91 Ų9158 Ų5836%0.35730%0.303SS..Hα-helixtrans-50.8-48.2-177.9167.2-94.7000112.5N317 V318 F320 W346 Q366 L367 V368 L393N317-Y364 WeakPolarHBondContact OD1-CB 3.4Å; N317-Y364 PolarHBondContact OD1-N 3.07Å; N317-Y364 VanDerWaalsContact OD1-N 3.12Å; V318-Y364 PolarHBondContact O-N 3.29Å; F320-Y364 HydrophobicContact CZ-CD2 4.21Å; W346-Y364 AromaticContact CH2-CD2 3.61Å; W346-Y364 HydrophobicContact CH2-CD2 3.61Å; W346-Y364 AromaticContact CH2-CE2 3.69Å; W346-Y364 HydrophobicContact CH2-CE2 3.69Å; W346-Y364 HydrophobicContact CZ2-CD2 4.46Å; W346-Y364 AromaticContact CZ3-CD2 3.86Å; W346-Y364 HydrophobicContact CZ3-CD2 3.86Å; W346-Y364 HydrophobicContact CZ3-CE2 4.23Å; Y364-Q366 PolarHBondContact O-N 3.37Å; Y364-L367 PolarHBondContact O-N 3.21Å; Y364-L367 VanDerWaalsContact O-N 3.16Å; Y364-V368 HydrophobicContact CD2-CG2 4.34Å; Y364-V368 HydrophobicContact CE1-CG2 4.2Å; Y364-V368 HydrophobicContact CE2-CG2 3.88Å; Y364-V368 WeakPolarHBondContact O-CG2 3.46Å; Y364-V368 PolarHBondContact O-N 3.4Å; Y364-L393 HydrophobicContact CD2-CD2 4.07Å; Y364-L393 HydrophobicContact CE2-CD1 4.4Å; Y364-L393 HydrophobicContact CE2-CD2 4.22Å
365N96.1Very high96Very high84 Ų8455.7 Ų55.745%0.44929%0.29SS..Hα-helixtrans-58.4-45.7176.6-65.1-12.5000112.1N317 S363 L367 V368 E369N317-N365 PolarHBondContact ND2-ND2 2.99Å; N317-N365 PolarHBondContact OD1-N 3.41Å; S363-N365 VanDerWaalsContact C-N 3.31Å; S363-N365 PolarHBondContact O-N 3.01Å; N365-L367 VanDerWaalsContact C-N 3.29Å; N365-L367 PolarHBondContact O-N 3.5Å; N365-V368 PolarHBondContact O-N 3.12Å; N365-E369 WeakPolarHBondContact O-CG 3.33Å; N365-E369 PolarHBondContact O-N 3.42Å
366Q96.9Very high95.8Very high70 Ų7062.4 Ų62.433%0.32732%0.32SS..Hα-helixtrans-65.7-30.7179.2-63.6176.4-33.300112.4L362 S363 Y364 K370L362-Q366 HydrophobicContact CB-CB 3.95Å; L362-Q366 HydrophobicContact CD2-CB 4.1Å; S363-Q366 WeakPolarHBondContact O-CB 3.27Å; S363-Q366 PolarHBondContact O-N 2.91Å; S363-Q366 VanDerWaalsContact OG-CD 3.29Å; S363-Q366 WeakPolarHBondContact OG-CG 3.49Å; S363-Q366 PolarHBondContact OG-OE1 2.84Å; Y364-Q366 PolarHBondContact O-N 3.37Å; Q366-K370 WeakPolarHBondContact O-CB 3.34Å; Q366-K370 PolarHBondContact O-N 2.88Å; Q366-K370 VanDerWaalsContact O-N 3.09Å
367L97.2Very high95.7Very high0 Ų061 Ų610%031%0.313CS..Hα-helixtrans-73.8-42176.2-170.965.5000111.5F320 V359 L362 S363 Y364 N365 K370 I371 A389 F392 L393F320-L367 HydrophobicContact CD2-CD2 4.19Å; F320-L367 HydrophobicContact CE2-CB 4.09Å; F320-L367 HydrophobicContact CE2-CD2 3.53Å; F320-L367 HydrophobicContact CE2-CG 4.43Å; F320-L367 HydrophobicContact CZ-CD2 3.92Å; V359-L367 HydrophobicContact CB-CD1 4.46Å; V359-L367 HydrophobicContact CG1-CD2 4.23Å; V359-L367 HydrophobicContact CG2-CD1 4.31Å; V359-L367 HydrophobicContact CG2-CD2 4.05Å; L362-L367 HydrophobicContact CB-CB 4.35Å; L362-L367 HydrophobicContact CD1-CD1 4.03Å; S363-L367 PolarHBondContact O-N 3.48Å; Y364-L367 PolarHBondContact O-N 3.21Å; Y364-L367 VanDerWaalsContact O-N 3.16Å; N365-L367 VanDerWaalsContact C-N 3.29Å; N365-L367 PolarHBondContact O-N 3.5Å; L367-K370 PolarHBondContact O-N 2.67Å; L367-I371 HydrophobicContact CG-CD1 4.16Å; L367-I371 VanDerWaalsContact O-CG1 3.28Å; L367-I371 WeakPolarHBondContact O-CG1 3.45Å; L367-I371 PolarHBondContact O-N 3.42Å; L367-A389 HydrophobicContact CD1-CB 3.86Å; L367-A389 HydrophobicContact CG-CB 4.4Å; L367-F392 HydrophobicContact CD2-CD1 4.18Å; L367-F392 HydrophobicContact CD2-CE1 4.38Å; L367-L393 HydrophobicContact CD2-CD1 4.24Å; L367-L393 HydrophobicContact CD2-CD2 4.04Å; L367-L393 HydrophobicContact CD2-CG 4.11Å
368V96.9Very high95.6Very high47 Ų4762.8 Ų62.829%0.28533%0.327SS..Hα-helixtrans-62.7-44.3175.5173.20000111Y364 N365 K370 I371 I372 L393Y364-V368 HydrophobicContact CD2-CG2 4.34Å; Y364-V368 HydrophobicContact CE1-CG2 4.2Å; Y364-V368 HydrophobicContact CE2-CG2 3.88Å; Y364-V368 WeakPolarHBondContact O-CG2 3.46Å; Y364-V368 PolarHBondContact O-N 3.4Å; N365-V368 PolarHBondContact O-N 3.12Å; V368-K370 PolarHBondContact O-N 3Å; V368-I371 PolarHBondContact O-N 3.31Å; V368-I372 HydrophobicContact CG1-CD1 4.23Å; V368-I372 WeakPolarHBondContact O-CG1 3.29Å; V368-I372 PolarHBondContact O-N 3.03Å; V368-I372 VanDerWaalsContact O-N 3.16Å; V368-L393 HydrophobicContact CG2-CD1 4.06Å
369E96.1Very high95.6Very high129 Ų12967.1 Ų67.160%0.60335%0.35SS*.Hα-helixtrans-57.1-48.3172.1-73.2174.1-177.600111.5N365 I371 I372 D373N365-E369 WeakPolarHBondContact O-CG 3.33Å; N365-E369 PolarHBondContact O-N 3.42Å; E369-I371 VanDerWaalsContact C-N 3.34Å; E369-I371 PolarHBondContact O-N 3.36Å; E369-I372 PolarHBondContact O-N 2.82Å; E369-D373 PolarHBondContact O-N 3.23Å
370K96.1Very high95.4Very high41 Ų4171.9 Ų71.918%0.17838%0.383CS..Hα-helixtrans-59.5-40.4176.7177.7176.6175.2-176.50112.8A358 L362 Q366 L367 V368 D373 C374 E385A358-K370 PolarHBondContact O-NZ 3.03Å; L362-K370 HydrophobicContact CD1-CB 4.21Å; L362-K370 HydrophobicContact CD1-CD 3.45Å; L362-K370 VanDerWaalsContact CD1-CD 3.45Å; L362-K370 HydrophobicContact CD1-CG 4.46Å; Q366-K370 WeakPolarHBondContact O-CB 3.34Å; Q366-K370 PolarHBondContact O-N 2.88Å; Q366-K370 VanDerWaalsContact O-N 3.09Å; L367-K370 PolarHBondContact O-N 2.67Å; V368-K370 PolarHBondContact O-N 3Å; K370-D373 PolarHBondContact O-N 3.5Å; K370-C374 WeakPolarHBondContact O-CB 3.47Å; K370-C374 PolarHBondContact O-N 2.83Å; K370-C374 PolarHBondContact O-SG 2.88Å; K370-C374 VanDerWaalsContact O-SG 3.33Å; K370-E385 WeakPolarHBondContact CE-OE1 3.46Å; K370-E385 WeakPolarHBondContact CE-OE2 3.25Å; K370-E385 IonicContact NZ-OE1 3.21Å; K370-E385 PolarHBondContact NZ-OE1 3.35Å; K370-E385 IonicContact NZ-OE2 2.68Å
371I96.6Very high95.3Very high9 Ų974.4 Ų74.45%0.04640%0.396CS..Hα-helixtrans-61.6-45.3178.3-72.4160.7000110.3L367 V368 E369 C374 K375 A389 E390 L393L367-I371 HydrophobicContact CG-CD1 4.16Å; L367-I371 VanDerWaalsContact O-CG1 3.28Å; L367-I371 WeakPolarHBondContact O-CG1 3.45Å; L367-I371 PolarHBondContact O-N 3.42Å; V368-I371 PolarHBondContact O-N 3.31Å; E369-I371 VanDerWaalsContact C-N 3.34Å; E369-I371 PolarHBondContact O-N 3.36Å; I371-C374 PolarHBondContact O-N 3.13Å; I371-K375 HydrophobicContact CG2-CD 3.67Å; I371-K375 HydrophobicContact CG2-CG 4.41Å; I371-K375 WeakPolarHBondContact O-CB 3.39Å; I371-K375 VanDerWaalsContact O-CG 3.26Å; I371-K375 WeakPolarHBondContact O-CG 3.17Å; I371-K375 PolarHBondContact O-N 2.97Å; I371-A389 HydrophobicContact CD1-CB 3.92Å; I371-A389 HydrophobicContact CG1-CB 3.66Å; I371-E390 HydrophobicContact CD1-CB 4.36Å; I371-E390 HydrophobicContact CG2-CB 4.09Å; I371-E390 HydrophobicContact CG2-CG 4.44Å; I371-L393 HydrophobicContact CD1-CD1 3.56Å; I371-L393 HydrophobicContact CD1-CG 4.42Å
372I95.7Very high95.2Very high91 Ų9170.3 Ų70.347%0.46738%0.376SS..Hα-helixtrans-61.7-49.7177.3-64.4164.1000110.6V368 E369 C374 K375 H376V368-I372 HydrophobicContact CG1-CD1 4.23Å; V368-I372 WeakPolarHBondContact O-CG1 3.29Å; V368-I372 PolarHBondContact O-N 3.03Å; V368-I372 VanDerWaalsContact O-N 3.16Å; E369-I372 PolarHBondContact O-N 2.82Å; I372-C374 VanDerWaalsContact C-N 3.3Å; I372-C374 PolarHBondContact O-N 3.46Å; I372-K375 PolarHBondContact O-N 2.86Å; I372-H376 PolarHBondContact O-CD2 2.93Å; I372-H376 VanDerWaalsContact O-CD2 3.29Å; I372-H376 PolarHBondContact O-N 3.01Å; I372-H376 VanDerWaalsContact O-N 3.15Å
373D95.4Very high95.1Very high107 Ų10770.3 Ų70.357%0.57238%0.378SS*.Hα-helixtrans-57.4-40.5177.2-109.125.9000112.8E369 K370 S377 R382E369-D373 PolarHBondContact O-N 3.23Å; K370-D373 PolarHBondContact O-N 3.5Å; D373-S377 PolarHBondContact O-N 2.81Å; D373-R382 IonicContact OD2-NH2 3.75Å
374C94.9Very high95Very high0 Ų073.3 Ų73.30%040%0.399CS..Hα-helixtrans-73.7-38.6179.4-78.50000112.5K370 I371 I372 H376 S377 R382 V383K370-C374 WeakPolarHBondContact O-CB 3.47Å; K370-C374 PolarHBondContact O-N 2.83Å; K370-C374 PolarHBondContact O-SG 2.88Å; K370-C374 VanDerWaalsContact O-SG 3.33Å; I371-C374 PolarHBondContact O-N 3.13Å; I372-C374 VanDerWaalsContact C-N 3.3Å; I372-C374 PolarHBondContact O-N 3.46Å; C374-H376 VanDerWaalsContact C-N 3.25Å; C374-H376 PolarHBondContact O-N 3.29Å; C374-S377 VanDerWaalsContact O-CB 3.29Å; C374-S377 WeakPolarHBondContact O-CB 3.27Å; C374-S377 PolarHBondContact O-N 3.36Å; C374-S377 VanDerWaalsContact O-N 3.11Å; C374-R382 VanDerWaalsContact CB-O 3.24Å; C374-R382 WeakPolarHBondContact CB-O 3.49Å; C374-R382 PolarHBondContact SG-O 2.85Å; C374-V383 WeakPolarHBondContact O-CG2 3.44Å
375K92.8Very high94.9Very high100 Ų10072 Ų7244%0.43540%0.396SS..Hα-helixtrans-67.7-23.1176.5-73172.769.2145.30113.2I371 I372 E390I371-K375 HydrophobicContact CG2-CD 3.67Å; I371-K375 HydrophobicContact CG2-CG 4.41Å; I371-K375 WeakPolarHBondContact O-CB 3.39Å; I371-K375 VanDerWaalsContact O-CG 3.26Å; I371-K375 WeakPolarHBondContact O-CG 3.17Å; I371-K375 PolarHBondContact O-N 2.97Å; I372-K375 PolarHBondContact O-N 2.86Å; K375-E390 IonicContact NZ-OE1 3.95Å; K375-E390 PolarHBondContact NZ-OE1 2.94Å; K375-E390 IonicContact NZ-OE2 2.62Å; K375-E390 PolarHBondContact NZ-OE2 2.89Å
376H93.1Very high94.8Very high163 Ų16368 Ų6876%0.75537%0.374SS*.THydrogen-bonded Turntrans-964.5172-68.8-57.8000114.3I372 C374I372-H376 PolarHBondContact O-CD2 2.93Å; I372-H376 VanDerWaalsContact O-CD2 3.29Å; I372-H376 PolarHBondContact O-N 3.01Å; I372-H376 VanDerWaalsContact O-N 3.15Å; C374-H376 VanDerWaalsContact C-N 3.25Å; C374-H376 PolarHBondContact O-N 3.29Å
377S94.1Very high94.8Very high26 Ų2668.9 Ų68.918%0.18238%0.381CS..  trans-78.2147.6178.9-165.20000112.7D373 C374 D379 V383D373-S377 PolarHBondContact O-N 2.81Å; C374-S377 VanDerWaalsContact O-CB 3.29Å; C374-S377 WeakPolarHBondContact O-CB 3.27Å; C374-S377 PolarHBondContact O-N 3.36Å; C374-S377 VanDerWaalsContact O-N 3.11Å; S377-D379 VanDerWaalsContact C-N 3.34Å; S377-D379 PolarHBondContact OG-N 3.22Å; S377-V383 WeakPolarHBondContact O-CG2 3.36Å
378A92.6Very high94.8Very high105 Ų10570.5 Ų70.587%0.86839%0.391SS*.SBendtrans-82-13.7167.100000112.8S380A378-S380 PolarHBondContact O-N 3.34Å
379D94.9Very high94.8Very high94 Ų9468.3 Ų68.350%0.50338%0.377SS..  trans-82.9108.4-179.2-65.9-47.6000110.2S377 S381 R382 V383S377-D379 VanDerWaalsContact C-N 3.34Å; S377-D379 PolarHBondContact OG-N 3.22Å; D379-S381 PolarHBondContact O-N 2.99Å; D379-R382 HydrophobicContact CB-CB 4.16Å; D379-R382 HydrophobicContact CB-CG 4Å; D379-R382 WeakPolarHBondContact O-CA 3.34Å; D379-R382 WeakPolarHBondContact O-CB 3.5Å; D379-R382 PolarHBondContact O-N 3.43Å; D379-V383 PolarHBondContact O-N 3.23Å
380S93.1Very high94.8Very high100 Ų10064.4 Ų64.470%0.69936%0.359SS*.Hα-helixtrans-54.2-30.5-177.8-1730000113.9A378 V383 S384A378-S380 PolarHBondContact O-N 3.34Å; S380-V383 PolarHBondContact O-N 2.94Å; S380-S384 PolarHBondContact O-N 3.47Å; S380-S384 PolarHBondContact O-OG 3.12Å
381S91.9Very high94.9Very high85 Ų8568.5 Ų68.559%0.59438%0.379SS*.Hα-helixtrans-68.6-38.4175.5490000112.8D379 S384 E385D379-S381 PolarHBondContact O-N 2.99Å; S381-S384 WeakPolarHBondContact CA-OG 3.49Å; S381-S384 PolarHBondContact O-N 2.87Å; S381-S384 PolarHBondContact O-OG 3.4Å; S381-E385 WeakPolarHBondContact O-CB 3.29Å; S381-E385 PolarHBondContact O-N 2.87Å
382R93.1Very high94.9Very high88 Ų8868.7 Ų68.733%0.33238%0.379SS..Hα-helixtrans-68.9-40.9173.4-68-166.664.2-171-5.7110.9D373 C374 D379 S384 E385 G386D373-R382 IonicContact OD2-NH2 3.75Å; C374-R382 VanDerWaalsContact CB-O 3.24Å; C374-R382 WeakPolarHBondContact CB-O 3.49Å; C374-R382 PolarHBondContact SG-O 2.85Å; D379-R382 HydrophobicContact CB-CB 4.16Å; D379-R382 HydrophobicContact CB-CG 4Å; D379-R382 WeakPolarHBondContact O-CA 3.34Å; D379-R382 WeakPolarHBondContact O-CB 3.5Å; D379-R382 PolarHBondContact O-N 3.43Å; R382-S384 VanDerWaalsContact C-N 3.35Å; R382-S384 PolarHBondContact O-N 3.44Å; R382-E385 WeakPolarHBondContact O-CB 3.35Å; R382-E385 PolarHBondContact O-N 2.97Å; R382-G386 PolarHBondContact O-N 2.89Å
383V95.3Very high94.9Very high46 Ų4665.6 Ų65.628%0.27936%0.364SS..Hα-helixtrans-57.8-46.9174.1179.30000110.7C374 S377 D379 S380 E385 G386 L387C374-V383 WeakPolarHBondContact O-CG2 3.44Å; S377-V383 WeakPolarHBondContact O-CG2 3.36Å; D379-V383 PolarHBondContact O-N 3.23Å; S380-V383 PolarHBondContact O-N 2.94Å; V383-E385 PolarHBondContact O-N 3.39Å; V383-G386 PolarHBondContact O-N 2.96Å; V383-L387 HydrophobicContact CG1-CD1 4.16Å; V383-L387 WeakPolarHBondContact O-CG 3.5Å; V383-L387 PolarHBondContact O-N 3.1Å
384S94.3Very high95Very high63 Ų6367.1 Ų67.144%0.44137%0.367SS..Hα-helixtrans-63.7-38.1175.549.70000113.4S380 S381 R382 L387 V388S380-S384 PolarHBondContact O-N 3.47Å; S380-S384 PolarHBondContact O-OG 3.12Å; S381-S384 WeakPolarHBondContact CA-OG 3.49Å; S381-S384 PolarHBondContact O-N 2.87Å; S381-S384 PolarHBondContact O-OG 3.4Å; R382-S384 VanDerWaalsContact C-N 3.35Å; R382-S384 PolarHBondContact O-N 3.44Å; S384-L387 PolarHBondContact O-N 3.15Å; S384-V388 WeakPolarHBondContact O-CG2 3.31Å; S384-V388 PolarHBondContact O-N 3.05Å
385E94.9Very high95Very high63 Ų6371.4 Ų71.429%0.29440%0.397SS..Hα-helixtrans-63.3-41.6175.4-171.4-173.4-157.300111.7A358 K370 S381 R382 V383 V388 A389A358-E385 HydrophobicContact CB-CG 3.95Å; K370-E385 WeakPolarHBondContact CE-OE1 3.46Å; K370-E385 WeakPolarHBondContact CE-OE2 3.25Å; K370-E385 IonicContact NZ-OE1 3.21Å; K370-E385 PolarHBondContact NZ-OE1 3.35Å; K370-E385 IonicContact NZ-OE2 2.68Å; S381-E385 WeakPolarHBondContact O-CB 3.29Å; S381-E385 PolarHBondContact O-N 2.87Å; R382-E385 WeakPolarHBondContact O-CB 3.35Å; R382-E385 PolarHBondContact O-N 2.97Å; V383-E385 PolarHBondContact O-N 3.39Å; E385-V388 PolarHBondContact O-N 3.08Å; E385-A389 PolarHBondContact O-N 3.1Å; E385-A389 VanDerWaalsContact O-N 3.1Å
386G95.6Very high95.1Very high0 Ų067.5 Ų67.50%038%0.382CS..Hα-helixtrans-63.4-41.7174.400000112.9R382 V383 A389 E390R382-G386 PolarHBondContact O-N 2.89Å; V383-G386 PolarHBondContact O-N 2.96Å; G386-A389 PolarHBondContact O-N 3.35Å; G386-E390 WeakPolarHBondContact O-CB 2.99Å; G386-E390 PolarHBondContact O-N 3.36Å
387L96Very high95.1Very high90 Ų9062.6 Ų62.647%0.47137%0.369SS..Hα-helixtrans-65.5-39.5177.2-71.1169.2000112.5V383 S384 E390 Q391V383-L387 HydrophobicContact CG1-CD1 4.16Å; V383-L387 WeakPolarHBondContact O-CG 3.5Å; V383-L387 PolarHBondContact O-N 3.1Å; S384-L387 PolarHBondContact O-N 3.15Å; L387-E390 PolarHBondContact O-N 3.39Å; L387-Q391 VanDerWaalsContact O-CB 3.32Å; L387-Q391 WeakPolarHBondContact O-CB 3.14Å; L387-Q391 PolarHBondContact O-N 2.64Å
388V97Very high95.1Very high34 Ų3464.5 Ų64.521%0.20638%0.38CS..Hα-helixtrans-66.8-37.8175.3172.70000111.5E354 T355 A358 S384 E385 F392E354-V388 HydrophobicContact CB-CG1 4.49Å; T355-V388 HydrophobicContact CG2-CG1 4.48Å; A358-V388 HydrophobicContact CB-CB 4.07Å; A358-V388 HydrophobicContact CB-CG1 3.84Å; S384-V388 WeakPolarHBondContact O-CG2 3.31Å; S384-V388 PolarHBondContact O-N 3.05Å; E385-V388 PolarHBondContact O-N 3.08Å; V388-F392 WeakPolarHBondContact O-CB 3.38Å; V388-F392 PolarHBondContact O-N 2.79Å; V388-F392 VanDerWaalsContact O-N 3.08Å
389A96.8Very high95.2Very high0 Ų060.4 Ų60.40%034%0.343CS..Hα-helixtrans-68.2-38.2174.500000112.8A358 L367 I371 E385 G386 F392 L393A358-A389 HydrophobicContact CB-CB 4.32Å; L367-A389 HydrophobicContact CD1-CB 3.86Å; L367-A389 HydrophobicContact CG-CB 4.4Å; I371-A389 HydrophobicContact CD1-CB 3.92Å; I371-A389 HydrophobicContact CG1-CB 3.66Å; E385-A389 PolarHBondContact O-N 3.1Å; E385-A389 VanDerWaalsContact O-N 3.1Å; G386-A389 PolarHBondContact O-N 3.35Å; A389-F392 PolarHBondContact O-N 3.03Å; A389-L393 PolarHBondContact O-N 2.93Å
390E96.9Very high95.3Very high47 Ų4756.1 Ų56.122%0.2232%0.32CS..Hα-helixtrans-66.7-49.2175.5-173.7161.3-118.400111.3I371 K375 G386 L387 F392 L393 E394I371-E390 HydrophobicContact CD1-CB 4.36Å; I371-E390 HydrophobicContact CG2-CB 4.09Å; I371-E390 HydrophobicContact CG2-CG 4.44Å; K375-E390 IonicContact NZ-OE1 3.95Å; K375-E390 PolarHBondContact NZ-OE1 2.94Å; K375-E390 IonicContact NZ-OE2 2.62Å; K375-E390 PolarHBondContact NZ-OE2 2.89Å; G386-E390 WeakPolarHBondContact O-CB 2.99Å; G386-E390 PolarHBondContact O-N 3.36Å; L387-E390 PolarHBondContact O-N 3.39Å; E390-F392 PolarHBondContact O-N 3.02Å; E390-L393 PolarHBondContact O-N 3.25Å; E390-E394 WeakPolarHBondContact O-CG 3.29Å; E390-E394 PolarHBondContact O-N 2.88Å
391Q97Very high95.5Very high127 Ų12752 Ų5259%0.59329%0.291SS*.Hα-helixtrans-58.3-34.2175.2-172.3-179.611.600112.6L387 S395L387-Q391 VanDerWaalsContact O-CB 3.32Å; L387-Q391 WeakPolarHBondContact O-CB 3.14Å; L387-Q391 PolarHBondContact O-N 2.64Å; Q391-S395 VanDerWaalsContact O-CB 3.27Å; Q391-S395 WeakPolarHBondContact O-CB 3.4Å; Q391-S395 PolarHBondContact O-N 2.82Å; Q391-S395 PolarHBondContact O-OG 3.18Å
392F97Very high95.6Very high13 Ų1354.2 Ų54.26%0.05729%0.288CS..Hα-helixtrans-63-49172.1166.8-107.4000112.1F320 V348 T355 V359 L367 V388 A389 E390 E394 S395 T396F320-F392 HydrophobicContact CB-CE1 4.44Å; F320-F392 HydrophobicContact CB-CZ 4.27Å; F320-F392 AromaticContact CD1-CE1 3.55Å; F320-F392 HydrophobicContact CD1-CE1 3.55Å; F320-F392 AromaticContact CD1-CZ 3.67Å; F320-F392 HydrophobicContact CD1-CZ 3.67Å; F320-F392 HydrophobicContact CD2-CE1 4.35Å; F320-F392 AromaticContact CE1-CE1 3.78Å; F320-F392 HydrophobicContact CE1-CE1 3.78Å; F320-F392 HydrophobicContact CE1-CZ 4.25Å; F320-F392 AromaticContact CG-CE1 3.84Å; F320-F392 HydrophobicContact CG-CE1 3.84Å; F320-F392 HydrophobicContact CG-CZ 4.05Å; F320-F392 HydrophobicContact CZ-CE1 4.27Å; V348-F392 HydrophobicContact CB-CE2 4.32Å; V348-F392 HydrophobicContact CB-CZ 4.42Å; V348-F392 HydrophobicContact CG2-CE2 4.48Å; T355-F392 HydrophobicContact CG2-CB 3.63Å; T355-F392 HydrophobicContact CG2-CD2 3.77Å; T355-F392 HydrophobicContact CG2-CG 3.79Å; V359-F392 HydrophobicContact CG2-CD1 3.66Å; V359-F392 HydrophobicContact CG2-CE1 4.03Å; V359-F392 HydrophobicContact CG2-CG 4.13Å; L367-F392 HydrophobicContact CD2-CD1 4.18Å; L367-F392 HydrophobicContact CD2-CE1 4.38Å; V388-F392 WeakPolarHBondContact O-CB 3.38Å; V388-F392 PolarHBondContact O-N 2.79Å; V388-F392 VanDerWaalsContact O-N 3.08Å; A389-F392 PolarHBondContact O-N 3.03Å; E390-F392 PolarHBondContact O-N 3.02Å; F392-E394 VanDerWaalsContact C-N 3.34Å; F392-E394 PolarHBondContact O-N 3.21Å; F392-S395 PolarHBondContact O-N 2.98Å; F392-S395 PolarHBondContact O-OG 3.43Å; F392-T396 HydrophobicContact CD2-CG2 4.09Å; F392-T396 HydrophobicContact CE2-CG2 3.92Å; F392-T396 WeakPolarHBondContact O-CB 3.46Å; F392-T396 PolarHBondContact O-N 2.95Å; F392-T396 PolarHBondContact O-OG1 3.33Å
393L96.8Very high95.8Very high27 Ų2752.6 Ų52.614%0.14128%0.284CS..Hα-helixtrans-63.9-38.8178.4-68.5179.6000112.1F320 W346 Y364 L367 V368 I371 A389 E390 A397F320-L393 HydrophobicContact CE1-CD2 4.25Å; F320-L393 HydrophobicContact CZ-CD2 4.02Å; W346-L393 HydrophobicContact CH2-CD2 4.06Å; W346-L393 HydrophobicContact CZ2-CD2 3.51Å; Y364-L393 HydrophobicContact CD2-CD2 4.07Å; Y364-L393 HydrophobicContact CE2-CD1 4.4Å; Y364-L393 HydrophobicContact CE2-CD2 4.22Å; L367-L393 HydrophobicContact CD2-CD1 4.24Å; L367-L393 HydrophobicContact CD2-CD2 4.04Å; L367-L393 HydrophobicContact CD2-CG 4.11Å; V368-L393 HydrophobicContact CG2-CD1 4.06Å; I371-L393 HydrophobicContact CD1-CD1 3.56Å; I371-L393 HydrophobicContact CD1-CG 4.42Å; A389-L393 PolarHBondContact O-N 2.93Å; E390-L393 PolarHBondContact O-N 3.25Å; L393-A397 WeakPolarHBondContact O-CA 3.42Å; L393-A397 PolarHBondContact O-N 3.4Å; L393-A397 VanDerWaalsContact O-N 3.1Å
394E96.1Very high95.9Very high138 Ų13850.4 Ų50.465%0.64527%0.27SS*.Hα-helixtrans-65-51.1175.3-69.5-179.4163.400112E390 F392 T396 A397E390-E394 WeakPolarHBondContact O-CG 3.29Å; E390-E394 PolarHBondContact O-N 2.88Å; F392-E394 VanDerWaalsContact C-N 3.34Å; F392-E394 PolarHBondContact O-N 3.21Å; E394-T396 PolarHBondContact O-N 3.19Å; E394-A397 WeakPolarHBondContact O-CB 3.43Å; E394-A397 PolarHBondContact O-N 2.91Å
395S94.7Very high95.9Very high90 Ų9048.1 Ų48.163%0.62925%0.253SS*.Hα-helixtrans-69.4-19-178.258.10000114.1Q391 F392Q391-S395 VanDerWaalsContact O-CB 3.27Å; Q391-S395 WeakPolarHBondContact O-CB 3.4Å; Q391-S395 PolarHBondContact O-N 2.82Å; Q391-S395 PolarHBondContact O-OG 3.18Å; F392-S395 PolarHBondContact O-N 2.98Å; F392-S395 PolarHBondContact O-OG 3.43Å
396T95.2Very high96Very high19 Ų1949.2 Ų49.212%0.11727%0.267CS..THydrogen-bonded Turntrans-114.821.5177.662.60000113.5W346 F392 E394 T398 Q399W346-T396 PolarHBondContact NE1-OG1 3.32Å; F392-T396 HydrophobicContact CD2-CG2 4.09Å; F392-T396 HydrophobicContact CE2-CG2 3.92Å; F392-T396 WeakPolarHBondContact O-CB 3.46Å; F392-T396 PolarHBondContact O-N 2.95Å; F392-T396 PolarHBondContact O-OG1 3.33Å; E394-T396 PolarHBondContact O-N 3.19Å; T396-T398 PolarHBondContact O-N 3.27Å; T396-Q399 WeakPolarHBondContact O-CA 3.47Å; T396-Q399 PolarHBondContact O-N 2.85Å
397A94.3Very high96.1Very high59 Ų5951.6 Ų51.649%0.48828%0.278SS..THydrogen-bonded Turntrans-56.5-19.8-175.200000115.4L393 E394 Q399L393-A397 WeakPolarHBondContact O-CA 3.42Å; L393-A397 PolarHBondContact O-N 3.4Å; L393-A397 VanDerWaalsContact O-N 3.1Å; E394-A397 WeakPolarHBondContact O-CB 3.43Å; E394-A397 PolarHBondContact O-N 2.91Å; A397-Q399 PolarHBondContact O-N 2.64Å
398T93.3Very high96.1Very high67 Ų6747.3 Ų47.341%0.41126%0.256SS..THydrogen-bonded Turntrans-74.73.2172.267.80000113.9T396 L400 R422T396-T398 PolarHBondContact O-N 3.27Å; T398-L400 PolarHBondContact O-N 3.4Å; T398-R422 VanDerWaalsContact O-CG 3.29Å; T398-R422 WeakPolarHBondContact O-CG 3.43Å; T398-R422 PolarHBondContact O-NE 3.46Å; T398-R422 VanDerWaalsContact O-NE 3.15Å
399Q96.1Very high96.1Very high18 Ų1848.2 Ų48.28%0.08426%0.259CS..SBendtrans56.328.8179.7-49.3-177.3-10.600113.8W346 T396 A397 R422 N423 N424W346-Q399 HydrophobicContact CB-CB 4.45Å; W346-Q399 WeakPolarHBondContact CB-O 3.11Å; W346-Q399 HydrophobicContact CD2-CB 3.96Å; W346-Q399 HydrophobicContact CD2-CG 4.1Å; W346-Q399 HydrophobicContact CE3-CB 3.77Å; W346-Q399 HydrophobicContact CE3-CG 3.62Å; W346-Q399 HydrophobicContact CG-CB 4.31Å; W346-Q399 HydrophobicContact CH2-CG 4.02Å; W346-Q399 HydrophobicContact CZ2-CG 4.44Å; W346-Q399 HydrophobicContact CZ3-CB 4.29Å; W346-Q399 HydrophobicContact CZ3-CG 3.61Å; T396-Q399 WeakPolarHBondContact O-CA 3.47Å; T396-Q399 PolarHBondContact O-N 2.85Å; A397-Q399 PolarHBondContact O-N 2.64Å; Q399-R422 HydrophobicContact CB-CG 4.47Å; Q399-N423 VanDerWaalsContact OE1-CA 3.28Å; Q399-N424 PolarHBondContact NE2-OD1 3.07Å
400L96.6Very high96Very high4 Ų453.7 Ų53.72%0.02129%0.293CS..BIsolated β-bridgetrans-144.8125.9175.8-179.758.6000110.1T398 L405 F420 R422 L456 V459T398-L400 PolarHBondContact O-N 3.4Å; L400-L405 HydrophobicContact CD1-CB 4.11Å; L400-F420 HydrophobicContact CD1-CZ 4.26Å; L400-R422 HydrophobicContact CB-CG 4.3Å; L400-L456 HydrophobicContact CD2-CD1 3.88Å; L400-V459 HydrophobicContact CD2-CG1 4.44Å; L400-V459 HydrophobicContact CG-CB 4.41Å; L400-V459 HydrophobicContact CG-CG1 4.07Å
401S96.1Very high96Very high13 Ų1354.3 Ų54.39%0.09130%0.3CS..  trans-107.2154.1177.462.80000110.6G345 L347 G404 L405G345-S401 PolarHBondContact O-N 2.93Å; G345-S401 PolarHBondContact O-OG 2.92Å; L347-S401 PolarHBondContact N-OG 3.46Å; L347-S401 WeakPolarHBondContact O-CB 3.37Å; L347-S401 PolarHBondContact O-OG 3.01Å; S401-G404 PolarHBondContact O-N 3.43Å; S401-G404 WeakPolarHBondContact OG-CA 3.47Å; S401-G404 PolarHBondContact OG-N 3Å; S401-L405 WeakPolarHBondContact O-CB 3.43Å; S401-L405 PolarHBondContact O-N 3.11Å
402Y95.2Very high96Very high133 Ų13348.4 Ų48.452%0.52227%0.273SS..Hα-helixtrans-61.7-43.1172.8-74.4-76.2000111.6L405 C406 V459 E460Y402-L405 PolarHBondContact O-N 3.01Å; Y402-C406 PolarHBondContact O-N 3.43Å; Y402-C406 PolarHBondContact O-SG 3.02Å; Y402-V459 HydrophobicContact CD1-CG1 3.9Å; Y402-V459 HydrophobicContact CD2-CG1 4.12Å; Y402-V459 HydrophobicContact CD2-CG2 4.3Å; Y402-V459 HydrophobicContact CE1-CG1 3.99Å; Y402-V459 HydrophobicContact CE1-CG2 4.21Å; Y402-V459 HydrophobicContact CE2-CG1 4.19Å; Y402-V459 HydrophobicContact CE2-CG2 3.63Å; Y402-V459 HydrophobicContact CG-CG1 3.97Å; Y402-E460 PolarHBondContact OH-OE1 3.36Å
403H96.6Very high96Very high53 Ų5353.2 Ų53.225%0.24529%0.294CS..Hα-helixtrans-56.7-52.4173.9179.5-101.9000111.7V348 D349 P350 L405 C406 E407V348-H403 PolarHBondContact O-ND1 2.99Å; D349-H403 HydrophobicContact CB-CB 4.26Å; P350-H403 VanDerWaalsContact CD-CD2 3.43Å; P350-H403 WeakPolarHBondContact CD-CD2 3.44Å; P350-H403 WeakPolarHBondContact CD-NE2 3.35Å; H403-L405 VanDerWaalsContact C-N 3.31Å; H403-L405 PolarHBondContact O-N 3.16Å; H403-C406 PolarHBondContact O-N 3.08Å; H403-C406 VanDerWaalsContact O-N 3.15Å; H403-E407 IonicContact CE1-OE2 3.76Å; H403-E407 PolarHBondContact O-N 3.07Å
404G97Very high96Very high0 Ų056.9 Ų56.90%031%0.31CS..Hα-helixtrans-63.1-31.5178.200000114S401 L408S401-G404 PolarHBondContact O-N 3.43Å; S401-G404 WeakPolarHBondContact OG-CA 3.47Å; S401-G404 PolarHBondContact OG-N 3Å; G404-L408 WeakPolarHBondContact O-CB 3.37Å; G404-L408 PolarHBondContact O-N 3.11Å
405L95.9Very high96Very high16 Ų1652.1 Ų52.18%0.08430%0.298CS..Hα-helixtrans-68.3-41.1172.8-178.260.3000112L400 S401 Y402 H403 L408 N409 L436 L456L400-L405 HydrophobicContact CD1-CB 4.11Å; S401-L405 WeakPolarHBondContact O-CB 3.43Å; S401-L405 PolarHBondContact O-N 3.11Å; Y402-L405 PolarHBondContact O-N 3.01Å; H403-L405 VanDerWaalsContact C-N 3.31Å; H403-L405 PolarHBondContact O-N 3.16Å; L405-L408 PolarHBondContact O-N 2.74Å; L405-N409 PolarHBondContact O-N 2.96Å; L405-L436 HydrophobicContact CD1-CD1 4.04Å; L405-L456 HydrophobicContact CD1-CD2 4.26Å; L405-L456 HydrophobicContact CD1-CG 3.94Å
406C96.1Very high96Very high86 Ų8649.8 Ų49.858%0.58128%0.277SS*.Hα-helixtrans-66.6-42.6174.8-70.10000112.2Y402 H403 T410Y402-C406 PolarHBondContact O-N 3.43Å; Y402-C406 PolarHBondContact O-SG 3.02Å; H403-C406 PolarHBondContact O-N 3.08Å; H403-C406 VanDerWaalsContact O-N 3.15Å; C406-T410 PolarHBondContact O-N 3.49Å; C406-T410 VanDerWaalsContact O-N 3.11Å; C406-T410 PolarHBondContact O-OG1 2.88Å
407E96.9Very high96.1Very high50 Ų5049.2 Ų49.223%0.23427%0.274CS..Hα-helixtrans-65.1-42.7174.1-168.1-175.1117.200111.1G322 V323 L347 H403 N409 T410 T411G322-E407 VanDerWaalsContact CA-OE1 3.32Å; G322-E407 WeakPolarHBondContact CA-OE1 3.49Å; V323-E407 HydrophobicContact CG1-CB 3.92Å; V323-E407 HydrophobicContact CG1-CG 4.03Å; V323-E407 HydrophobicContact CG2-CG 4.37Å; V323-E407 PolarHBondContact N-OE1 2.88Å; L347-E407 HydrophobicContact CD2-CB 4.38Å; L347-E407 WeakPolarHBondContact CD2-OE2 3.26Å; H403-E407 IonicContact CE1-OE2 3.76Å; H403-E407 PolarHBondContact O-N 3.07Å; E407-N409 PolarHBondContact O-N 3.06Å; E407-T410 CarbonylContact O-C 3.41Å; E407-T410 WeakPolarHBondContact O-CA 3.46Å; E407-T410 WeakPolarHBondContact O-CB 3.48Å; E407-T410 PolarHBondContact O-N 3.02Å; E407-T411 WeakPolarHBondContact O-CB 3.4Å; E407-T411 PolarHBondContact O-N 3.47Å; E407-T411 PolarHBondContact O-OG1 3.32Å
408L97.1Very high96.2Very high0 Ų046.6 Ų46.60%025%0.251CS..Hα-helixtrans-61-44.3178.9-175.964.3000111.4V323 Y343 G404 L405 T410 T411 A412 F420 M429 L436 L456V323-L408 HydrophobicContact CB-CD1 4.15Å; V323-L408 HydrophobicContact CG1-CB 3.99Å; V323-L408 HydrophobicContact CG1-CD1 4.43Å; V323-L408 HydrophobicContact CG2-CD1 4.38Å; Y343-L408 HydrophobicContact CD1-CD1 3.94Å; Y343-L408 HydrophobicContact CD2-CD1 4.23Å; Y343-L408 HydrophobicContact CG-CD1 3.68Å; G404-L408 WeakPolarHBondContact O-CB 3.37Å; G404-L408 PolarHBondContact O-N 3.11Å; L405-L408 PolarHBondContact O-N 2.74Å; L408-T410 PolarHBondContact O-N 3.38Å; L408-T411 PolarHBondContact O-N 3.24Å; L408-A412 WeakPolarHBondContact O-CB 3.42Å; L408-A412 PolarHBondContact O-N 2.68Å; L408-F420 HydrophobicContact CD2-CD2 3.74Å; L408-F420 HydrophobicContact CD2-CE2 3.44Å; L408-F420 VanDerWaalsContact CD2-CE2 3.44Å; L408-F420 HydrophobicContact CD2-CZ 4.23Å; L408-M429 HydrophobicContact CD1-CE 3.99Å; L408-M429 HydrophobicContact CD2-CE 4.35Å; L408-M429 HydrophobicContact CD2-SD 4Å; L408-M429 HydrophobicContact CG-CE 4.26Å; L408-M429 HydrophobicContact CG-SD 4.43Å; L408-L436 HydrophobicContact CB-CD1 4.19Å; L408-L436 HydrophobicContact CD2-CD1 3.76Å; L408-L436 HydrophobicContact CG-CD1 3.73Å; L408-L456 HydrophobicContact CD2-CD2 4.35Å
409N95.8Very high96.4Very high53 Ų5343.4 Ų43.428%0.28323%0.232SC..Hα-helixtrans-70.3-16.9174.9-165.227.1000112.9L405 E407 K431 G434 L436L405-N409 PolarHBondContact O-N 2.96Å; E407-N409 PolarHBondContact O-N 3.06Å; N409-K431 WeakPolarHBondContact O-CE 3.47Å; N409-K431 PolarHBondContact O-NZ 3.36Å; N409-K431 WeakPolarHBondContact OD1-CE 3.4Å; N409-G434 PolarHBondContact ND2-O 3.35Å; N409-G434 PolarHBondContact OD1-O 3.05Å; N409-L436 HydrophobicContact CB-CD1 4.01Å; N409-L436 HydrophobicContact CB-CG 4.1Å
410T95.9Very high96.5Very high114 Ų11442.6 Ų42.670%0.69923%0.228SC*.Hα-helixtrans-81.8-49172.4-56.70000110.9C406 E407 L408C406-T410 PolarHBondContact O-N 3.49Å; C406-T410 VanDerWaalsContact O-N 3.11Å; C406-T410 PolarHBondContact O-OG1 2.88Å; E407-T410 CarbonylContact O-C 3.41Å; E407-T410 WeakPolarHBondContact O-CA 3.46Å; E407-T410 WeakPolarHBondContact O-CB 3.48Å; E407-T410 PolarHBondContact O-N 3.02Å; L408-T410 PolarHBondContact O-N 3.38Å
411T96.6Very high96.5Very high60 Ų6043.1 Ų43.137%0.36823%0.23SC..Hα-helixtrans-78-33.4-172.8-61.90000113.8V323 Y343 E407 L408V323-T411 HydrophobicContact CG2-CG2 3.8Å; Y343-T411 HydrophobicContact CE1-CG2 4.05Å; E407-T411 WeakPolarHBondContact O-CB 3.4Å; E407-T411 PolarHBondContact O-N 3.47Å; E407-T411 PolarHBondContact O-OG1 3.32Å; L408-T411 PolarHBondContact O-N 3.24Å
412A96.3Very high96.4Very high4 Ų444.8 Ų44.83%0.03324%0.235CC..SBendtrans-66135.5176.300000111.1Y343 L408 M429 K431 L436Y343-A412 HydrophobicContact CE2-CB 4.46Å; L408-A412 WeakPolarHBondContact O-CB 3.42Å; L408-A412 PolarHBondContact O-N 2.68Å; A412-M429 HydrophobicContact CB-CE 4.4Å; A412-K431 HydrophobicContact CB-CB 4.45Å; A412-K431 HydrophobicContact CB-CD 4.12Å; A412-K431 WeakPolarHBondContact O-CD 3.48Å; A412-K431 PolarHBondContact O-NZ 3.46Å; A412-L436 HydrophobicContact CB-CD2 4.04Å
413K96.9Very high96.3Very high114 Ų11443.4 Ų43.450%0.49624%0.236SC..PPolyproline II helixtrans-84.8140.6-178.6-52-177.3-151.8760111.2G415 E416K413-G415 PolarHBondContact O-N 3.47Å; K413-E416 HydrophobicContact CB-CB 3.87Å; K413-E416 WeakPolarHBondContact CB-OE2 3.47Å; K413-E416 WeakPolarHBondContact CD-OE2 3.49Å; K413-E416 VanDerWaalsContact CG-OE2 3.28Å; K413-E416 WeakPolarHBondContact CG-OE2 3.48Å; K413-E416 IonicContact NZ-OE1 3.54Å; K413-E416 PolarHBondContact NZ-OE1 3.04Å; K413-E416 IonicContact NZ-OE2 3.57Å; K413-E416 PolarHBondContact NZ-OE2 3.46Å; K413-E416 WeakPolarHBondContact O-CB 3.41Å; K413-E416 PolarHBondContact O-N 2.94Å; K413-E416 VanDerWaalsContact O-N 3.1Å
414E97.4Very high96Very high103 Ų10346.5 Ų46.548%0.48125%0.254SS..BIsolated β-bridgetrans-57.7124.1176.9-179.660.8-148.500111.1E416 H432 K433 G434E414-E416 VanDerWaalsContact C-N 3.27Å; E414-E416 PolarHBondContact O-N 3.22Å; E414-H432 VanDerWaalsContact OE1-CA 3.31Å; E414-H432 WeakPolarHBondContact OE1-CA 3.39Å; E414-K433 VanDerWaalsContact CD-N 3.28Å; E414-K433 PolarHBondContact OE1-N 2.88Å; E414-K433 PolarHBondContact OE2-N 3.47Å; E414-K433 VanDerWaalsContact OE2-N 3.1Å; E414-G434 PolarHBondContact OE2-N 3.38Å; E414-G434 VanDerWaalsContact OE2-N 3.08Å
415G95.4Very high95.8Very high38 Ų3848.9 Ų48.939%0.39227%0.266SS..THydrogen-bonded Turntrans760.2-177.800000116.3K413 K431K413-G415 PolarHBondContact O-N 3.47Å; G415-K431 WeakPolarHBondContact CA-O 3.42Å; G415-K431 PolarHBondContact N-O 3.21Å
416E95.4Very high95.7Very high41 Ų4148.5 Ų48.519%0.19226%0.263CS..  trans-82.4127.1177.7-173171.7-125.900111.1P341 K413 E414P341-E416 HydrophobicContact CG-CG 4.28Å; K413-E416 HydrophobicContact CB-CB 3.87Å; K413-E416 WeakPolarHBondContact CB-OE2 3.47Å; K413-E416 WeakPolarHBondContact CD-OE2 3.49Å; K413-E416 VanDerWaalsContact CG-OE2 3.28Å; K413-E416 WeakPolarHBondContact CG-OE2 3.48Å; K413-E416 IonicContact NZ-OE1 3.54Å; K413-E416 PolarHBondContact NZ-OE1 3.04Å; K413-E416 IonicContact NZ-OE2 3.57Å; K413-E416 PolarHBondContact NZ-OE2 3.46Å; K413-E416 WeakPolarHBondContact O-CB 3.41Å; K413-E416 PolarHBondContact O-N 2.94Å; K413-E416 VanDerWaalsContact O-N 3.1Å; E414-E416 VanDerWaalsContact C-N 3.27Å; E414-E416 PolarHBondContact O-N 3.22Å
417I97.1Very high95.7Very high8 Ų845.2 Ų45.24%0.04124%0.241CC..EExtended strand (participates in β ladder)trans-90.1128.6174.7-47.4-177000108.6W227 T251 L254 R255 T428 M429 I430W227-I417 HydrophobicContact CZ2-CD1 4.02Å; T251-I417 HydrophobicContact CG2-CB 4.3Å; T251-I417 HydrophobicContact CG2-CG2 3.86Å; L254-I417 HydrophobicContact CB-CD1 3.48Å; L254-I417 VanDerWaalsContact CB-CD1 3.48Å; L254-I417 HydrophobicContact CD1-CD1 4.34Å; R255-I417 HydrophobicContact CG-CD1 4.31Å; R255-I417 PolarHBondContact NH2-O 2.62Å; I417-T428 HydrophobicContact CG2-CG2 3.5Å; I417-M429 WeakPolarHBondContact CA-O 3.33Å; I417-I430 HydrophobicContact CG1-CD1 3.91Å; I417-I430 HydrophobicContact CG1-CG1 4.11Å
418S97.6Very high95.7Very high3 Ų342.9 Ų42.92%0.02123%0.231CC..EExtended strand (participates in β ladder)trans-137175.9-172.553.40000110.3P341 M429P341-S418 WeakPolarHBondContact O-CA 3.32Å; P341-S418 WeakPolarHBondContact O-CB 3.4Å; S418-M429 PolarHBondContact N-O 3.24Å; S418-M429 PolarHBondContact O-N 3.38Å; S418-M429 WeakPolarHBondContact OG-CE 3.48Å; S418-M429 PolarHBondContact OG-O 3.48Å
419V97.6Very high95.8Very high0 Ų042.9 Ų42.90%023%0.231CC..EExtended strand (participates in β ladder)trans-112.7137.4168.4174.90000108.9A247 F335 I340 P341 L342 Y343 F426 S427A247-V419 HydrophobicContact CB-CG1 3.89Å; A247-V419 HydrophobicContact CB-CG2 3.93Å; F335-V419 HydrophobicContact CD1-CB 4.43Å; F335-V419 HydrophobicContact CE1-CB 3.9Å; F335-V419 HydrophobicContact CE1-CG1 4.02Å; F335-V419 HydrophobicContact CE1-CG2 4.04Å; I340-V419 HydrophobicContact CG2-CB 4.35Å; I340-V419 HydrophobicContact CG2-CG2 3.79Å; P341-V419 PolarHBondContact O-N 3.24Å; L342-V419 CarbonylContact C-O 3.57Å; L342-V419 WeakPolarHBondContact CA-O 3.42Å; L342-V419 HydrophobicContact CD1-CB 4.09Å; L342-V419 HydrophobicContact CD1-CG1 3.84Å; Y343-V419 PolarHBondContact N-O 3.34Å; V419-F426 HydrophobicContact CG1-CB 4.05Å; V419-F426 HydrophobicContact CG1-CD1 3.89Å; V419-F426 HydrophobicContact CG1-CG 4.48Å; V419-S427 WeakPolarHBondContact CA-O 3.42Å
420F97.5Very high95.9Very high1 Ų140.6 Ų40.60%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-119.1126.2-178.3173.4-114.5000109.6Y343 L400 L408 R422 S427 M429 L438 L456Y343-F420 CarbonylContact O-C 3.51Å; Y343-F420 WeakPolarHBondContact O-CA 3.46Å; L400-F420 HydrophobicContact CD1-CZ 4.26Å; L408-F420 HydrophobicContact CD2-CD2 3.74Å; L408-F420 HydrophobicContact CD2-CE2 3.44Å; L408-F420 VanDerWaalsContact CD2-CE2 3.44Å; L408-F420 HydrophobicContact CD2-CZ 4.23Å; F420-R422 HydrophobicContact CD1-CB 4.22Å; F420-R422 HydrophobicContact CE1-CB 3.53Å; F420-R422 HydrophobicContact CE1-CG 4.26Å; F420-R422 HydrophobicContact CZ-CB 3.83Å; F420-R422 HydrophobicContact CZ-CG 4.4Å; F420-S427 PolarHBondContact N-O 2.91Å; F420-S427 PolarHBondContact O-N 2.9Å; F420-M429 HydrophobicContact CB-CB 3.86Å; F420-M429 HydrophobicContact CB-CE 4.49Å; F420-M429 HydrophobicContact CB-SD 4.06Å; F420-M429 HydrophobicContact CD2-SD 4.38Å; F420-M429 HydrophobicContact CG-SD 4.21Å; F420-L438 HydrophobicContact CB-CD2 4.21Å; F420-L438 HydrophobicContact CD1-CD1 4.18Å; F420-L438 HydrophobicContact CD1-CD2 3.7Å; F420-L438 HydrophobicContact CE1-CD1 4.36Å; F420-L438 HydrophobicContact CE1-CD2 4.49Å; F420-L438 HydrophobicContact CG-CD2 4.29Å; F420-L456 HydrophobicContact CD1-CD2 4.21Å; F420-L456 HydrophobicContact CE1-CD2 3.74Å; F420-L456 HydrophobicContact CZ-CD2 3.91Å
421F96.1Very high95.9Very high16 Ų1636.5 Ų36.57%0.0719%0.191CC..EExtended strand (participates in β ladder)trans-98125176.4178.1-101.1000110.6V316 V318 F326 Y343 H425 F426V316-F421 HydrophobicContact CG2-CD1 4.1Å; V316-F421 HydrophobicContact CG2-CD2 3.75Å; V316-F421 HydrophobicContact CG2-CE1 3.92Å; V316-F421 HydrophobicContact CG2-CE2 3.54Å; V316-F421 HydrophobicContact CG2-CG 4.01Å; V316-F421 HydrophobicContact CG2-CZ 3.64Å; V318-F421 HydrophobicContact CG1-CD1 4.19Å; V318-F421 HydrophobicContact CG1-CE1 4.39Å; F326-F421 HydrophobicContact CZ-CB 4.42Å; Y343-F421 PolarHBondContact O-N 3.03Å; F421-H425 WeakPolarHBondContact CA-O 3.13Å; F421-F426 HydrophobicContact CB-CD1 4.34Å; F421-F426 HydrophobicContact CB-CE1 4.22Å; F421-F426 HydrophobicContact CD2-CD1 4.08Å; F421-F426 HydrophobicContact CD2-CD2 4.04Å; F421-F426 AromaticContact CD2-CE1 3.7Å; F421-F426 HydrophobicContact CD2-CE1 3.7Å; F421-F426 AromaticContact CD2-CE2 3.65Å; F421-F426 HydrophobicContact CD2-CE2 3.65Å; F421-F426 HydrophobicContact CD2-CG 4.25Å; F421-F426 AromaticContact CD2-CZ 3.47Å; F421-F426 HydrophobicContact CD2-CZ 3.47Å; F421-F426 VanDerWaalsContact CD2-CZ 3.47Å; F421-F426 HydrophobicContact CE2-CD2 4.45Å; F421-F426 AromaticContact CE2-CE2 3.82Å; F421-F426 HydrophobicContact CE2-CE2 3.82Å; F421-F426 AromaticContact CE2-CZ 3.88Å; F421-F426 HydrophobicContact CE2-CZ 3.88Å; F421-F426 HydrophobicContact CG-CE1 4.32Å; F421-F426 HydrophobicContact CG-CZ 4.42Å
422R94.9Very high95.9Very high48 Ų4835.4 Ų35.418%0.18118%0.181CC..EExtended strand (participates in β ladder)trans-157.9139.8176.1-178.6-173176.3-165.20.4110.3T398 Q399 L400 F420 N424 H425 V459T398-R422 VanDerWaalsContact O-CG 3.29Å; T398-R422 WeakPolarHBondContact O-CG 3.43Å; T398-R422 PolarHBondContact O-NE 3.46Å; T398-R422 VanDerWaalsContact O-NE 3.15Å; Q399-R422 HydrophobicContact CB-CG 4.47Å; L400-R422 HydrophobicContact CB-CG 4.3Å; F420-R422 HydrophobicContact CD1-CB 4.22Å; F420-R422 HydrophobicContact CE1-CB 3.53Å; F420-R422 HydrophobicContact CE1-CG 4.26Å; F420-R422 HydrophobicContact CZ-CB 3.83Å; F420-R422 HydrophobicContact CZ-CG 4.4Å; R422-N424 VanDerWaalsContact C-N 3.3Å; R422-N424 PolarHBondContact O-N 3.1Å; R422-H425 PolarHBondContact N-O 2.81Å; R422-H425 WeakPolarHBondContact O-CA 3.4Å; R422-H425 WeakPolarHBondContact O-CB 3.34Å; R422-H425 PolarHBondContact O-N 2.88Å; R422-V459 PolarHBondContact NH2-O 2.75Å
423N92.2Very high95.9Very high104 Ų10442.8 Ų42.856%0.55621%0.213SC*.THydrogen-bonded Turntrans50.547.7177.2-166.833.5000112.6Q399 H425Q399-N423 VanDerWaalsContact OE1-CA 3.28Å; N423-H425 PolarHBondContact O-N 3.21Å; N423-H425 VanDerWaalsContact O-N 3.08Å
424N90.4Very high95.7Very high117 Ų11738.7 Ų38.763%0.62620%0.203SC*.THydrogen-bonded Turntrans58.715.6-175.5-53-28.8000115.1Q399 R422Q399-N424 PolarHBondContact NE2-OD1 3.07Å; R422-N424 VanDerWaalsContact C-N 3.3Å; R422-N424 PolarHBondContact O-N 3.1Å
425H92.1Very high95.6Very high51 Ų5139 Ų3924%0.23620%0.204CC..EExtended strand (participates in β ladder)trans-117.5146.8-177.6-174.8-89000111.8Q237 C243 F421 R422 N423 S427Q237-H425 PolarHBondContact NE2-NE2 2.93Å; Q237-H425 PolarHBondContact OE1-NE2 2.86Å; C243-H425 VanDerWaalsContact CB-NE2 3.29Å; C243-H425 WeakPolarHBondContact CB-NE2 3.27Å; F421-H425 WeakPolarHBondContact CA-O 3.13Å; R422-H425 PolarHBondContact N-O 2.81Å; R422-H425 WeakPolarHBondContact O-CA 3.4Å; R422-H425 WeakPolarHBondContact O-CB 3.34Å; R422-H425 PolarHBondContact O-N 2.88Å; N423-H425 PolarHBondContact O-N 3.21Å; N423-H425 VanDerWaalsContact O-N 3.08Å; H425-S427 PolarHBondContact CE1-OG 3.11Å; H425-S427 PolarHBondContact ND1-OG 3.36Å
426F94.5Very high95.6Very high7 Ų737.4 Ų37.43%0.03119%0.187CC..EExtended strand (participates in β ladder)trans-109.6117.2175.9-66.3-97.3000110.5C243 P244 A247 L314 V316 L342 V419 F421C243-F426 HydrophobicContact CB-CB 4.42Å; C243-F426 PolarHBondContact SG-N 3.4Å; C243-F426 VanDerWaalsContact SG-N 3.43Å; P244-F426 HydrophobicContact CB-CD2 4.18Å; P244-F426 HydrophobicContact CB-CG 4.38Å; P244-F426 HydrophobicContact CG-CD2 3.72Å; P244-F426 HydrophobicContact CG-CE2 3.98Å; P244-F426 HydrophobicContact CG-CG 4.38Å; A247-F426 HydrophobicContact CB-CB 4.04Å; L314-F426 HydrophobicContact CB-CE2 3.95Å; L314-F426 HydrophobicContact CB-CZ 3.92Å; L314-F426 HydrophobicContact CD2-CE1 4.02Å; L314-F426 HydrophobicContact CD2-CZ 3.88Å; L314-F426 HydrophobicContact CG-CZ 4.35Å; V316-F426 HydrophobicContact CB-CZ 4.44Å; V316-F426 HydrophobicContact CG1-CE1 4.12Å; V316-F426 HydrophobicContact CG1-CZ 3.8Å; V316-F426 HydrophobicContact CG2-CE1 4.36Å; V316-F426 HydrophobicContact CG2-CZ 3.72Å; L342-F426 HydrophobicContact CD1-CD1 4.18Å; L342-F426 HydrophobicContact CD1-CE1 4.14Å; V419-F426 HydrophobicContact CG1-CB 4.05Å; V419-F426 HydrophobicContact CG1-CD1 3.89Å; V419-F426 HydrophobicContact CG1-CG 4.48Å; F421-F426 HydrophobicContact CB-CD1 4.34Å; F421-F426 HydrophobicContact CB-CE1 4.22Å; F421-F426 HydrophobicContact CD2-CD1 4.08Å; F421-F426 HydrophobicContact CD2-CD2 4.04Å; F421-F426 AromaticContact CD2-CE1 3.7Å; F421-F426 HydrophobicContact CD2-CE1 3.7Å; F421-F426 AromaticContact CD2-CE2 3.65Å; F421-F426 HydrophobicContact CD2-CE2 3.65Å; F421-F426 HydrophobicContact CD2-CG 4.25Å; F421-F426 AromaticContact CD2-CZ 3.47Å; F421-F426 HydrophobicContact CD2-CZ 3.47Å; F421-F426 VanDerWaalsContact CD2-CZ 3.47Å; F421-F426 HydrophobicContact CE2-CD2 4.45Å; F421-F426 AromaticContact CE2-CE2 3.82Å; F421-F426 HydrophobicContact CE2-CE2 3.82Å; F421-F426 AromaticContact CE2-CZ 3.88Å; F421-F426 HydrophobicContact CE2-CZ 3.88Å; F421-F426 HydrophobicContact CG-CE1 4.32Å; F421-F426 HydrophobicContact CG-CZ 4.42Å
427S95.4Very high95.7Very high18 Ų1836.6 Ų36.613%0.12618%0.182CC..EExtended strand (participates in β ladder)trans-114.2138.8179.9-620000111V419 F420 H425 M429V419-S427 WeakPolarHBondContact CA-O 3.42Å; F420-S427 PolarHBondContact N-O 2.91Å; F420-S427 PolarHBondContact O-N 2.9Å; H425-S427 PolarHBondContact CE1-OG 3.11Å; H425-S427 PolarHBondContact ND1-OG 3.36Å; S427-M429 PolarHBondContact O-N 2.93Å
428T97.8Very high95.8Very high1 Ų137 Ų371%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-67.7124.1167-56.10000109.2A247 N250 T251 L254 I417 L438 L439A247-T428 WeakPolarHBondContact CA-OG1 3.38Å; A247-T428 PolarHBondContact O-OG1 2.74Å; N250-T428 WeakPolarHBondContact CB-OG1 3.13Å; T251-T428 WeakPolarHBondContact OG1-CG2 3.37Å; L254-T428 HydrophobicContact CD1-CG2 4.09Å; I417-T428 HydrophobicContact CG2-CG2 3.5Å; T428-L438 WeakPolarHBondContact O-CA 3.5Å; T428-L439 HydrophobicContact CG2-CB 4.45Å; T428-L439 HydrophobicContact CG2-CD2 4.49Å; T428-L439 PolarHBondContact O-N 3.26Å
429M98.1Very high95.7Very high0 Ų037.1 Ų37.10%019%0.185CC..EExtended strand (participates in β ladder)trans-116.7145.3-178.8-175.2-179.269.300111.5Y343 L408 A412 I417 S418 F420 S427 L436 Y437 L438 L456Y343-M429 HydrophobicContact CD2-CE 3.69Å; Y343-M429 HydrophobicContact CE2-CE 4.28Å; Y343-M429 HydrophobicContact CG-CE 4.42Å; L408-M429 HydrophobicContact CD1-CE 3.99Å; L408-M429 HydrophobicContact CD2-CE 4.35Å; L408-M429 HydrophobicContact CD2-SD 4Å; L408-M429 HydrophobicContact CG-CE 4.26Å; L408-M429 HydrophobicContact CG-SD 4.43Å; A412-M429 HydrophobicContact CB-CE 4.4Å; I417-M429 WeakPolarHBondContact CA-O 3.33Å; S418-M429 PolarHBondContact N-O 3.24Å; S418-M429 PolarHBondContact O-N 3.38Å; S418-M429 WeakPolarHBondContact OG-CE 3.48Å; S418-M429 PolarHBondContact OG-O 3.48Å; F420-M429 HydrophobicContact CB-CB 3.86Å; F420-M429 HydrophobicContact CB-CE 4.49Å; F420-M429 HydrophobicContact CB-SD 4.06Å; F420-M429 HydrophobicContact CD2-SD 4.38Å; F420-M429 HydrophobicContact CG-SD 4.21Å; S427-M429 PolarHBondContact O-N 2.93Å; M429-L436 HydrophobicContact CE-CD2 4.46Å; M429-L436 HydrophobicContact SD-CB 4.47Å; M429-L436 HydrophobicContact SD-CD1 4.3Å; M429-L436 HydrophobicContact SD-CD2 4.13Å; M429-Y437 CarbonylContact C-O 3.51Å; M429-Y437 VanDerWaalsContact CA-O 3.3Å; M429-Y437 WeakPolarHBondContact CA-O 3.45Å; M429-Y437 WeakPolarHBondContact CG-O 3.43Å; M429-L438 HydrophobicContact CB-CD2 3.74Å; M429-L438 HydrophobicContact CG-CD2 3.83Å; M429-L438 HydrophobicContact SD-CD2 4.38Å; M429-L456 HydrophobicContact SD-CD2 4.37Å
430I97.9Very high95.7Very high4 Ų437.5 Ų37.52%0.02119%0.187CC..EExtended strand (participates in β ladder)trans-136.3146.4167.2-164.5-179.6000110.4W227 I417 Y437 W453 F470W227-I430 HydrophobicContact CH2-CD1 3.71Å; W227-I430 HydrophobicContact CZ2-CD1 4.09Å; I417-I430 HydrophobicContact CG1-CD1 3.91Å; I417-I430 HydrophobicContact CG1-CG1 4.11Å; I430-Y437 PolarHBondContact N-O 2.79Å; I430-Y437 PolarHBondContact O-N 2.93Å; I430-W453 HydrophobicContact CB-CH2 4.06Å; I430-W453 HydrophobicContact CB-CZ3 4.17Å; I430-W453 HydrophobicContact CG2-CD2 4.19Å; I430-W453 HydrophobicContact CG2-CE3 3.8Å; I430-W453 HydrophobicContact CG2-CH2 3.53Å; I430-W453 HydrophobicContact CG2-CZ2 3.91Å; I430-W453 HydrophobicContact CG2-CZ3 3.47Å; I430-W453 VanDerWaalsContact CG2-CZ3 3.47Å; I430-F470 HydrophobicContact CD1-CZ 4.18Å; I430-F470 HydrophobicContact CG2-CE1 3.59Å; I430-F470 HydrophobicContact CG2-CZ 3.65Å
431K97.4Very high95.5Very high28 Ų2838.1 Ų38.112%0.12219%0.191CC..EExtended strand (participates in β ladder)trans-96.8131.4167.2-175.9175.7169.6179.10110.3N409 A412 G415 H435 L436N409-K431 WeakPolarHBondContact O-CE 3.47Å; N409-K431 PolarHBondContact O-NZ 3.36Å; N409-K431 WeakPolarHBondContact OD1-CE 3.4Å; A412-K431 HydrophobicContact CB-CB 4.45Å; A412-K431 HydrophobicContact CB-CD 4.12Å; A412-K431 WeakPolarHBondContact O-CD 3.48Å; A412-K431 PolarHBondContact O-NZ 3.46Å; G415-K431 WeakPolarHBondContact CA-O 3.42Å; G415-K431 PolarHBondContact N-O 3.21Å; K431-H435 CarbonylContact C-O 3.53Å; K431-H435 WeakPolarHBondContact CA-O 3.21Å; K431-L436 HydrophobicContact CB-CD2 3.91Å; K431-L436 HydrophobicContact CD-CD2 4.32Å; K431-L436 HydrophobicContact CG-CD2 4.1Å
432H96.7Very high95.4Very high38 Ų3840.7 Ų40.718%0.17621%0.205CC..EExtended strand (participates in β ladder)trans-141.1127.8175.7171.7-112.9000111.1E414 G434 H435 Y437 F470E414-H432 VanDerWaalsContact OE1-CA 3.31Å; E414-H432 WeakPolarHBondContact OE1-CA 3.39Å; H432-G434 PolarHBondContact O-N 3.3Å; H432-H435 PolarHBondContact N-O 3.1Å; H432-H435 PolarHBondContact O-N 3.48Å; H432-Y437 HydrophobicContact CB-CD2 4.14Å; H432-Y437 HydrophobicContact CB-CE2 3.97Å; H432-F470 HydrophobicContact CB-CD1 4.19Å; H432-F470 HydrophobicContact CB-CD2 4.08Å; H432-F470 HydrophobicContact CB-CE1 4.19Å; H432-F470 HydrophobicContact CB-CE2 4.09Å; H432-F470 HydrophobicContact CB-CG 4.13Å; H432-F470 HydrophobicContact CB-CZ 4.16Å; H432-F470 AromaticContact CE1-CD2 3.5Å; H432-F470 VanDerWaalsContact CE1-CD2 3.5Å; H432-F470 WeakPolarHBondContact CE1-CD2 3.37Å; H432-F470 AromaticContact CE1-CG 3.76Å; H432-F470 AromaticContact CG-CD2 3.56Å; H432-F470 AromaticContact CG-CE2 3.93Å; H432-F470 AromaticContact CG-CG 3.8Å; H432-F470 WeakPolarHBondContact ND1-CB 3.4Å; H432-F470 AromaticContact ND1-CD2 3.26Å; H432-F470 VanDerWaalsContact ND1-CD2 3.26Å; H432-F470 WeakPolarHBondContact ND1-CD2 3.46Å; H432-F470 AromaticContact ND1-CG 3.21Å; H432-F470 WeakPolarHBondContact ND1-CG 3.27Å; H432-F470 AromaticContact NE2-CD2 3.99Å
433K94.8Very high95.2Very high158 Ų15842.1 Ų42.169%0.68721%0.214SC*.THydrogen-bonded Turntrans51.637.2-176.5-65.7172.9-176.8167.30113.3E414 H435E414-K433 VanDerWaalsContact CD-N 3.28Å; E414-K433 PolarHBondContact OE1-N 2.88Å; E414-K433 PolarHBondContact OE2-N 3.47Å; E414-K433 VanDerWaalsContact OE2-N 3.1Å; K433-H435 VanDerWaalsContact C-N 3.3Å; K433-H435 PolarHBondContact O-CD2 2.94Å; K433-H435 PolarHBondContact O-N 3.19Å
434G93.1Very high95.1Very high29 Ų2940.3 Ų40.330%0.29922%0.22SC..THydrogen-bonded Turntrans74.413.3-17800000115.5N409 E414 H432N409-G434 PolarHBondContact ND2-O 3.35Å; N409-G434 PolarHBondContact OD1-O 3.05Å; E414-G434 PolarHBondContact OE2-N 3.38Å; E414-G434 VanDerWaalsContact OE2-N 3.08Å; H432-G434 PolarHBondContact O-N 3.3Å
435H94.9Very high95.1Very high109 Ų10937.5 Ų37.551%0.50520%0.202SC..EExtended strand (participates in β ladder)trans-115.1146.9170.5-59.4-79.9000110.4K431 H432 K433 Y437K431-H435 CarbonylContact C-O 3.53Å; K431-H435 WeakPolarHBondContact CA-O 3.21Å; H432-H435 PolarHBondContact N-O 3.1Å; H432-H435 PolarHBondContact O-N 3.48Å; K433-H435 VanDerWaalsContact C-N 3.3Å; K433-H435 PolarHBondContact O-CD2 2.94Å; K433-H435 PolarHBondContact O-N 3.19Å; H435-Y437 HydrophobicContact CB-CE2 3.77Å
436L97.1Very high95.1Very high4 Ų436.8 Ų36.82%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-91.7143.6175.7-61.1176.6000110.7L405 L408 N409 A412 M429 K431 L456L405-L436 HydrophobicContact CD1-CD1 4.04Å; L408-L436 HydrophobicContact CB-CD1 4.19Å; L408-L436 HydrophobicContact CD2-CD1 3.76Å; L408-L436 HydrophobicContact CG-CD1 3.73Å; N409-L436 HydrophobicContact CB-CD1 4.01Å; N409-L436 HydrophobicContact CB-CG 4.1Å; A412-L436 HydrophobicContact CB-CD2 4.04Å; M429-L436 HydrophobicContact CE-CD2 4.46Å; M429-L436 HydrophobicContact SD-CB 4.47Å; M429-L436 HydrophobicContact SD-CD1 4.3Å; M429-L436 HydrophobicContact SD-CD2 4.13Å; K431-L436 HydrophobicContact CB-CD2 3.91Å; K431-L436 HydrophobicContact CD-CD2 4.32Å; K431-L436 HydrophobicContact CG-CD2 4.1Å; L436-L456 HydrophobicContact CB-CB 4.02Å; L436-L456 HydrophobicContact CB-CD2 4.44Å; L436-L456 HydrophobicContact CD1-CD2 4.3Å; L436-L456 PolarHBondContact O-N 3.49Å
437Y97.6Very high94.9Very high24 Ų2444.4 Ų44.49%0.09424%0.236CC..EExtended strand (participates in β ladder)trans-137.1137.4178.9-64.2-87.5000111.5M429 I430 H432 H435 W453 E454 F470M429-Y437 CarbonylContact C-O 3.51Å; M429-Y437 VanDerWaalsContact CA-O 3.3Å; M429-Y437 WeakPolarHBondContact CA-O 3.45Å; M429-Y437 WeakPolarHBondContact CG-O 3.43Å; I430-Y437 PolarHBondContact N-O 2.79Å; I430-Y437 PolarHBondContact O-N 2.93Å; H432-Y437 HydrophobicContact CB-CD2 4.14Å; H432-Y437 HydrophobicContact CB-CE2 3.97Å; H435-Y437 HydrophobicContact CB-CE2 3.77Å; Y437-W453 HydrophobicContact CD1-CB 4.15Å; Y437-W453 HydrophobicContact CG-CB 4.47Å; Y437-E454 CarbonylContact C-O 3.59Å; Y437-E454 WeakPolarHBondContact CA-O 3.45Å; Y437-F470 AromaticContact CD1-CD1 3.93Å; Y437-F470 HydrophobicContact CD1-CD1 3.93Å; Y437-F470 AromaticContact CD2-CD1 3.55Å; Y437-F470 HydrophobicContact CD2-CD1 3.55Å; Y437-F470 AromaticContact CD2-CE1 3.81Å; Y437-F470 HydrophobicContact CD2-CE1 3.81Å; Y437-F470 HydrophobicContact CE1-CD1 4.07Å; Y437-F470 HydrophobicContact CE2-CB 4.43Å; Y437-F470 AromaticContact CE2-CD1 3.71Å; Y437-F470 HydrophobicContact CE2-CD1 3.71Å; Y437-F470 HydrophobicContact CE2-CE1 4.38Å; Y437-F470 HydrophobicContact CE2-CG 4.33Å; Y437-F470 AromaticContact CG-CD1 3.66Å; Y437-F470 HydrophobicContact CG-CD1 3.66Å; Y437-F470 AromaticContact CG-CE1 3.87Å; Y437-F470 HydrophobicContact CG-CE1 3.87Å; Y437-F470 AromaticContact CZ-CD1 3.96Å
438L97.3Very high94.7Very high17 Ų1747 Ų479%0.08925%0.246CC..EExtended strand (participates in β ladder)trans-101.9143.4172-58.2-178.1000110.3F420 T428 M429 W453 E454 L456F420-L438 HydrophobicContact CB-CD2 4.21Å; F420-L438 HydrophobicContact CD1-CD1 4.18Å; F420-L438 HydrophobicContact CD1-CD2 3.7Å; F420-L438 HydrophobicContact CE1-CD1 4.36Å; F420-L438 HydrophobicContact CE1-CD2 4.49Å; F420-L438 HydrophobicContact CG-CD2 4.29Å; T428-L438 WeakPolarHBondContact O-CA 3.5Å; M429-L438 HydrophobicContact CB-CD2 3.74Å; M429-L438 HydrophobicContact CG-CD2 3.83Å; M429-L438 HydrophobicContact SD-CD2 4.38Å; L438-W453 CarbonylContact O-C 3.59Å; L438-W453 VanDerWaalsContact O-CA 3.32Å; L438-W453 WeakPolarHBondContact O-CA 3.43Å; L438-E454 PolarHBondContact N-O 2.94Å; L438-E454 PolarHBondContact O-N 3.29Å; L438-L456 HydrophobicContact CD1-CD1 4.36Å; L438-L456 HydrophobicContact CD1-CD2 4.45Å; L438-L456 HydrophobicContact CD2-CD2 4.26Å; L438-L456 HydrophobicContact CG-CB 4.24Å; L438-L456 HydrophobicContact CG-CD2 4.39Å
439L97.4Very high94.2Very high5 Ų553 Ų533%0.02627%0.274CS..EExtended strand (participates in β ladder)trans-75125.9178.1-171.974.7000110.1I234 N250 L254 T428 T441 V452 W453I234-L439 HydrophobicContact CB-CD2 4.29Å; I234-L439 HydrophobicContact CD1-CD1 3.99Å; I234-L439 HydrophobicContact CD1-CD2 4.26Å; I234-L439 HydrophobicContact CD1-CG 4.19Å; I234-L439 HydrophobicContact CG2-CD1 4.47Å; I234-L439 HydrophobicContact CG2-CD2 4.11Å; N250-L439 HydrophobicContact CB-CD2 3.64Å; L254-L439 HydrophobicContact CD1-CD1 4.17Å; L254-L439 HydrophobicContact CD1-CD2 4.15Å; T428-L439 HydrophobicContact CG2-CB 4.45Å; T428-L439 HydrophobicContact CG2-CD2 4.49Å; T428-L439 PolarHBondContact O-N 3.26Å; L439-T441 HydrophobicContact CB-CG2 4.49Å; L439-T441 HydrophobicContact CD2-CG2 3.98Å; L439-T441 HydrophobicContact CG-CG2 4.23Å; L439-T441 PolarHBondContact O-N 3.33Å; L439-V452 HydrophobicContact CD1-CG1 4.16Å; L439-V452 WeakPolarHBondContact CD1-O 3.33Å; L439-W453 HydrophobicContact CB-CE3 4.14Å; L439-W453 HydrophobicContact CB-CH2 4.3Å; L439-W453 HydrophobicContact CB-CZ3 3.74Å; L439-W453 HydrophobicContact CD1-CD2 4.28Å; L439-W453 HydrophobicContact CD1-CE3 4.17Å; L439-W453 HydrophobicContact CD1-CH2 3.82Å; L439-W453 HydrophobicContact CD1-CZ2 3.95Å; L439-W453 HydrophobicContact CD1-CZ3 3.94Å; L439-W453 HydrophobicContact CG-CZ3 4.47Å
440V95.8Very high93.7Very high9 Ų954.9 Ų54.96%0.05529%0.287CS..  trans-72.2100.6175.7-177.90000108.7F445 V452 E454 F465V440-F445 HydrophobicContact CG1-CB 3.85Å; V440-F445 HydrophobicContact CG1-CD2 3.51Å; V440-F445 HydrophobicContact CG1-CE2 4.21Å; V440-F445 HydrophobicContact CG1-CG 3.75Å; V440-V452 PolarHBondContact N-O 3.38Å; V440-E454 HydrophobicContact CG2-CB 4.14Å; V440-F465 HydrophobicContact CG2-CD1 3.77Å; V440-F465 HydrophobicContact CG2-CE1 3.94Å
441T94.7Very high93.5Very high13 Ų1355.7 Ų55.78%0.0829%0.291CS..  trans-102.9-11.2-178.448.20000113.5T236 Q237 N250 L439 Q443T236-T441 CarbonylContact C-O 3.51Å; T236-T441 WeakPolarHBondContact CA-O 3.4Å; T236-T441 WeakPolarHBondContact CB-O 3.44Å; Q237-T441 PolarHBondContact N-O 3.48Å; N250-T441 WeakPolarHBondContact ND2-CG2 3.32Å; L439-T441 HydrophobicContact CB-CG2 4.49Å; L439-T441 HydrophobicContact CD2-CG2 3.98Å; L439-T441 HydrophobicContact CG-CG2 4.23Å; L439-T441 PolarHBondContact O-N 3.33Å; T441-Q443 PolarHBondContact O-N 3.26Å
442D92.9Very high93.5Very high70 Ų7054.4 Ų54.437%0.37429%0.285SS..BIsolated β-bridgetrans-63.2135.3-179.9174.6-94000112.6G444 F445D442-G444 VanDerWaalsContact C-N 3.26Å; D442-G444 PolarHBondContact O-N 3.37Å; D442-G444 VanDerWaalsContact OD1-CA 3.3Å; D442-G444 WeakPolarHBondContact OD1-CA 3.45Å; D442-G444 PolarHBondContact OD1-N 2.99Å; D442-F445 HydrophobicContact CB-CD2 4.05Å; D442-F445 HydrophobicContact CB-CE2 4.42Å; D442-F445 PolarHBondContact O-N 3.13Å
443Q90.8Very high93.5Very high78 Ų7852.6 Ų52.636%0.36428%0.277SS..G310 helixtrans-66.1-22.8-175.5-176.7179-33.400113.6L221 Q237 T441 F445 L446L221-Q443 HydrophobicContact CD1-CG 4.09Å; Q237-Q443 VanDerWaalsContact O-CB 3.27Å; Q237-Q443 WeakPolarHBondContact O-CB 3.42Å; Q237-Q443 PolarHBondContact O-N 3Å; T441-Q443 PolarHBondContact O-N 3.26Å; Q443-F445 PolarHBondContact O-N 3.21Å; Q443-L446 WeakPolarHBondContact O-CB 3.44Å; Q443-L446 PolarHBondContact O-N 2.83Å; Q443-L446 VanDerWaalsContact O-N 3.08Å
444G90.6Very high93.5Very high67 Ų6747.7 Ų47.769%0.69126%0.257SS*.G310 helixtrans-59.6-31.2173.500000112.8D442 L446D442-G444 VanDerWaalsContact C-N 3.26Å; D442-G444 PolarHBondContact O-N 3.37Å; D442-G444 VanDerWaalsContact OD1-CA 3.3Å; D442-G444 WeakPolarHBondContact OD1-CA 3.45Å; D442-G444 PolarHBondContact OD1-N 2.99Å; G444-L446 VanDerWaalsContact C-N 3.34Å; G444-L446 PolarHBondContact O-N 3.01Å
445F91.3Very high93.7Very high57 Ų5747 Ų4725%0.2525%0.247CC..G310 helixtrans-87.28.4176.7-60.1-77.5000114.1K223 V440 D442 Q443 Q447 E448 M451 F465K223-F445 WeakPolarHBondContact CE-O 3.44Å; K223-F445 PolarHBondContact NZ-O 2.95Å; V440-F445 HydrophobicContact CG1-CB 3.85Å; V440-F445 HydrophobicContact CG1-CD2 3.51Å; V440-F445 HydrophobicContact CG1-CE2 4.21Å; V440-F445 HydrophobicContact CG1-CG 3.75Å; D442-F445 HydrophobicContact CB-CD2 4.05Å; D442-F445 HydrophobicContact CB-CE2 4.42Å; D442-F445 PolarHBondContact O-N 3.13Å; Q443-F445 PolarHBondContact O-N 3.21Å; F445-Q447 VanDerWaalsContact C-N 3.3Å; F445-Q447 PolarHBondContact O-N 3.29Å; F445-E448 PolarHBondContact O-N 2.84Å; F445-E448 VanDerWaalsContact O-N 3.07Å; F445-M451 HydrophobicContact CD1-CB 4.25Å; F445-M451 HydrophobicContact CD1-CG 4.5Å; F445-M451 HydrophobicContact CD1-SD 3.47Å; F445-M451 WeakPolarHBondContact CD1-SD 3.26Å; F445-M451 HydrophobicContact CE1-SD 3.55Å; F445-M451 VanDerWaalsContact CE1-SD 3.55Å; F445-F465 HydrophobicContact CE1-CE2 4.33Å; F445-F465 HydrophobicContact CE1-CZ 4.34Å; F445-F465 HydrophobicContact CE2-CZ 4.36Å; F445-F465 HydrophobicContact CZ-CE1 4.34Å; F445-F465 HydrophobicContact CZ-CE2 4.1Å; F445-F465 AromaticContact CZ-CZ 3.77Å; F445-F465 HydrophobicContact CZ-CZ 3.77Å
446L91.3Very high93.7Very high36 Ų3642.4 Ų42.419%0.18823%0.226CC..THydrogen-bonded Turntrans-52.4-44-174.7176.361.8000113.6L221 K223 T236 Q443 G444L221-L446 HydrophobicContact CB-CD1 4.3Å; L221-L446 HydrophobicContact CB-CD2 3.84Å; L221-L446 HydrophobicContact CD1-CD2 3.51Å; L221-L446 HydrophobicContact CG-CD2 4.31Å; K223-L446 HydrophobicContact CB-CD1 3.88Å; K223-L446 HydrophobicContact CG-CD1 4.36Å; T236-L446 HydrophobicContact CG2-CD1 4.24Å; Q443-L446 WeakPolarHBondContact O-CB 3.44Å; Q443-L446 PolarHBondContact O-N 2.83Å; Q443-L446 VanDerWaalsContact O-N 3.08Å; G444-L446 VanDerWaalsContact C-N 3.34Å; G444-L446 PolarHBondContact O-N 3.01Å
447Q90.9Very high93.3Very high167 Ų16746.6 Ų46.678%0.7825%0.246SC*.THydrogen-bonded Turntrans-79.8-18.7-177.6-59.9-61.9-36.700113.6F445 E449F445-Q447 VanDerWaalsContact C-N 3.3Å; F445-Q447 PolarHBondContact O-N 3.29Å; Q447-E449 PolarHBondContact O-N 2.92Å
448E91Very high92.9Very high72 Ų7246.4 Ų46.434%0.33625%0.246SC..  trans-81.881.9-176.3-77.9-63.5157.900111.1K223 F445 S450 M451K223-E448 VanDerWaalsContact CE-O 3.27Å; K223-E448 WeakPolarHBondContact CE-O 3.31Å; K223-E448 PolarHBondContact NZ-O 3.41Å; F445-E448 PolarHBondContact O-N 2.84Å; F445-E448 VanDerWaalsContact O-N 3.07Å; E448-S450 PolarHBondContact O-N 3.28Å; E448-S450 PolarHBondContact OE2-OG 2.84Å; E448-M451 HydrophobicContact CB-CB 4.1Å; E448-M451 HydrophobicContact CB-CG 4.04Å; E448-M451 HydrophobicContact CB-SD 4.29Å; E448-M451 HydrophobicContact CG-CE 4.27Å; E448-M451 HydrophobicContact CG-SD 4.29Å; E448-M451 PolarHBondContact O-N 3.24Å
449E86.2Confident92.5Very high128 Ų12846.5 Ų46.560%0.59825%0.248SC*.THydrogen-bonded Turntrans-52.5-24.8174.3-73.7-151.6148.500112.8K231 Q447K231-E449 IonicContact NZ-OE1 2.77Å; K231-E449 PolarHBondContact NZ-OE1 3.48Å; K231-E449 IonicContact NZ-OE2 2.64Å; Q447-E449 PolarHBondContact O-N 2.92Å
450S89.1Confident91.7Very high39 Ų3953.7 Ų53.727%0.27328%0.281SS..THydrogen-bonded Turntrans-72.8-24178.176.10000114.1E448 C466 N467 S473E448-S450 PolarHBondContact O-N 3.28Å; E448-S450 PolarHBondContact OE2-OG 2.84Å; S450-C466 CarbonylContact O-C 3.56Å; S450-N467 WeakPolarHBondContact O-CA 3.36Å; S450-N467 PolarHBondContact O-N 3.35Å; S450-S473 WeakPolarHBondContact O-CB 3.33Å; S450-S473 PolarHBondContact O-OG 2.84Å
451M93.6Very high90.9Very high22 Ų2255.3 Ų55.311%0.10830%0.3CS..  trans-107.2104.5-173-57.9-173.1-165.600110.1K223 F445 E448 F465K223-M451 PolarHBondContact NZ-O 3.05Å; F445-M451 HydrophobicContact CD1-CB 4.25Å; F445-M451 HydrophobicContact CD1-CG 4.5Å; F445-M451 HydrophobicContact CD1-SD 3.47Å; F445-M451 WeakPolarHBondContact CD1-SD 3.26Å; F445-M451 HydrophobicContact CE1-SD 3.55Å; F445-M451 VanDerWaalsContact CE1-SD 3.55Å; E448-M451 HydrophobicContact CB-CB 4.1Å; E448-M451 HydrophobicContact CB-CG 4.04Å; E448-M451 HydrophobicContact CB-SD 4.29Å; E448-M451 HydrophobicContact CG-CE 4.27Å; E448-M451 HydrophobicContact CG-SD 4.29Å; E448-M451 PolarHBondContact O-N 3.24Å; M451-F465 HydrophobicContact CG-CB 4.25Å; M451-F465 HydrophobicContact SD-CB 4.46Å; M451-F465 HydrophobicContact SD-CD2 4.33Å; M451-F465 HydrophobicContact SD-CG 4.37Å
452V96Very high90.3Very high0 Ų059.4 Ų59.40%032%0.321CS..  trans-128.8-38.1-173.3-179.60000111.9I225 L439 V440 C466I225-V452 HydrophobicContact CB-CG1 4.39Å; I225-V452 HydrophobicContact CB-CG2 4.28Å; I225-V452 HydrophobicContact CD1-CG1 3.66Å; I225-V452 HydrophobicContact CG2-CG1 4.03Å; I225-V452 HydrophobicContact CG2-CG2 3.68Å; L439-V452 HydrophobicContact CD1-CG1 4.16Å; L439-V452 WeakPolarHBondContact CD1-O 3.33Å; V440-V452 PolarHBondContact N-O 3.38Å; V452-C466 PolarHBondContact N-O 3.01Å
453W96.8Very high89.9Confident0 Ų056.8 Ų56.80%031%0.311CS..EExtended strand (participates in β ladder)trans-124.9150179.7-64.3106.4000110.5W227 L254 I430 Y437 L438 L439 F465 C466 F470W227-W453 HydrophobicContact CE3-CZ2 4.48Å; W227-W453 AromaticContact CH2-CZ2 3.88Å; W227-W453 HydrophobicContact CH2-CZ2 3.88Å; W227-W453 AromaticContact CZ3-CZ2 3.87Å; W227-W453 HydrophobicContact CZ3-CZ2 3.87Å; W227-W453 AromaticContact CZ3-NE1 3.68Å; L254-W453 HydrophobicContact CD1-CH2 3.85Å; L254-W453 HydrophobicContact CD1-CZ2 4.14Å; I430-W453 HydrophobicContact CB-CH2 4.06Å; I430-W453 HydrophobicContact CB-CZ3 4.17Å; I430-W453 HydrophobicContact CG2-CD2 4.19Å; I430-W453 HydrophobicContact CG2-CE3 3.8Å; I430-W453 HydrophobicContact CG2-CH2 3.53Å; I430-W453 HydrophobicContact CG2-CZ2 3.91Å; I430-W453 HydrophobicContact CG2-CZ3 3.47Å; I430-W453 VanDerWaalsContact CG2-CZ3 3.47Å; Y437-W453 HydrophobicContact CD1-CB 4.15Å; Y437-W453 HydrophobicContact CG-CB 4.47Å; L438-W453 CarbonylContact O-C 3.59Å; L438-W453 VanDerWaalsContact O-CA 3.32Å; L438-W453 WeakPolarHBondContact O-CA 3.43Å; L439-W453 HydrophobicContact CB-CE3 4.14Å; L439-W453 HydrophobicContact CB-CH2 4.3Å; L439-W453 HydrophobicContact CB-CZ3 3.74Å; L439-W453 HydrophobicContact CD1-CD2 4.28Å; L439-W453 HydrophobicContact CD1-CE3 4.17Å; L439-W453 HydrophobicContact CD1-CH2 3.82Å; L439-W453 HydrophobicContact CD1-CZ2 3.95Å; L439-W453 HydrophobicContact CD1-CZ3 3.94Å; L439-W453 HydrophobicContact CG-CZ3 4.47Å; W453-F465 CarbonylContact O-C 3.58Å; W453-F465 WeakPolarHBondContact O-CA 3.34Å; W453-C466 HydrophobicContact CB-CB 4.24Å; W453-C466 PolarHBondContact N-O 2.81Å; W453-C466 PolarHBondContact O-N 3.37Å; W453-F470 HydrophobicContact CB-CD1 4.31Å; W453-F470 HydrophobicContact CB-CE1 4.29Å; W453-F470 AromaticContact CD1-CD1 3.87Å; W453-F470 AromaticContact CD1-CE1 3.51Å; W453-F470 AromaticContact CD1-CZ 3.95Å; W453-F470 AromaticContact CD2-CE1 3.7Å; W453-F470 HydrophobicContact CD2-CE1 3.7Å; W453-F470 HydrophobicContact CD2-CZ 4.25Å; W453-F470 AromaticContact CE2-CE1 3.75Å; W453-F470 AromaticContact CE2-CZ 3.81Å; W453-F470 HydrophobicContact CE3-CE1 4.41Å; W453-F470 HydrophobicContact CG-CD1 4Å; W453-F470 AromaticContact CG-CE1 3.59Å; W453-F470 HydrophobicContact CG-CE1 3.59Å; W453-F470 HydrophobicContact CG-CZ 4.36Å; W453-F470 HydrophobicContact CZ2-CZ 4.28Å; W453-F470 AromaticContact NE1-CE1 3.6Å; W453-F470 AromaticContact NE1-CZ 3.58Å
454E96.1Very high90Very high56 Ų5656.6 Ų56.626%0.26231%0.312SS..EExtended strand (participates in β ladder)trans-121.1134.8174.2-173.6-167.4147.900108.9Y437 L438 V440 L456 F465Y437-E454 CarbonylContact C-O 3.59Å; Y437-E454 WeakPolarHBondContact CA-O 3.45Å; L438-E454 PolarHBondContact N-O 2.94Å; L438-E454 PolarHBondContact O-N 3.29Å; V440-E454 HydrophobicContact CG2-CB 4.14Å; E454-L456 PolarHBondContact O-N 3.27Å; E454-F465 HydrophobicContact CB-CD1 4.11Å; E454-F465 HydrophobicContact CB-CE1 4.1Å; E454-F465 HydrophobicContact CG-CD1 4.18Å; E454-F465 HydrophobicContact CG-CE1 3.93Å
455S95.7Very high90.2Very high13 Ų1356.5 Ų56.59%0.09129%0.293CS..EExtended strand (participates in β ladder)trans-78.1113.6-177.261.50000113.3H457 G463 N464S455-H457 PolarHBondContact O-N 3.41Å; S455-H457 PolarHBondContact O-ND1 3.44Å; S455-H457 VanDerWaalsContact O-ND1 3.15Å; S455-H457 PolarHBondContact OG-ND1 2.88Å; S455-G463 WeakPolarHBondContact O-CA 3.39Å; S455-N464 PolarHBondContact N-O 3.43Å; S455-N464 WeakPolarHBondContact OG-CB 3.35Å; S455-N464 PolarHBondContact OG-N 2.97Å
456L95Very high90.4Very high14 Ų1453.9 Ų53.97%0.07328%0.281CS..EExtended strand (participates in β ladder)trans-85.190.1173.2-176.466000109.5L400 L405 L408 F420 M429 L436 L438 E454L400-L456 HydrophobicContact CD2-CD1 3.88Å; L405-L456 HydrophobicContact CD1-CD2 4.26Å; L405-L456 HydrophobicContact CD1-CG 3.94Å; L408-L456 HydrophobicContact CD2-CD2 4.35Å; F420-L456 HydrophobicContact CD1-CD2 4.21Å; F420-L456 HydrophobicContact CE1-CD2 3.74Å; F420-L456 HydrophobicContact CZ-CD2 3.91Å; M429-L456 HydrophobicContact SD-CD2 4.37Å; L436-L456 HydrophobicContact CB-CB 4.02Å; L436-L456 HydrophobicContact CB-CD2 4.44Å; L436-L456 HydrophobicContact CD1-CD2 4.3Å; L436-L456 PolarHBondContact O-N 3.49Å; L438-L456 HydrophobicContact CD1-CD1 4.36Å; L438-L456 HydrophobicContact CD1-CD2 4.45Å; L438-L456 HydrophobicContact CD2-CD2 4.26Å; L438-L456 HydrophobicContact CG-CB 4.24Å; L438-L456 HydrophobicContact CG-CD2 4.39Å; E454-L456 PolarHBondContact O-N 3.27Å
457H90Very high90.5Very high92 Ų9254.1 Ų54.143%0.42628%0.283SS..  trans-129-2.5-173.675-81.8000114.4S455S455-H457 PolarHBondContact O-N 3.41Å; S455-H457 PolarHBondContact O-ND1 3.44Å; S455-H457 VanDerWaalsContact O-ND1 3.15Å; S455-H457 PolarHBondContact OG-ND1 2.88Å
458N89.4Confident90.7Very high19 Ų1946.7 Ų46.710%0.10225%0.249CC..SBendtrans-148.6-179.1178.466.260000110.8E460 G461 D462N458-E460 PolarHBondContact OD1-N 3.24Å; N458-G461 PolarHBondContact OD1-N 3.38Å; N458-D462 PolarHBondContact ND2-OD1 2.85Å; N458-D462 PolarHBondContact OD1-OD1 3.38Å
459V87.2Confident90.8Very high20 Ų2048 Ų4812%0.12126%0.259CS..SBendtrans-101.3-6.3178.3-48.70000113.9L400 Y402 R422L400-V459 HydrophobicContact CD2-CG1 4.44Å; L400-V459 HydrophobicContact CG-CB 4.41Å; L400-V459 HydrophobicContact CG-CG1 4.07Å; Y402-V459 HydrophobicContact CD1-CG1 3.9Å; Y402-V459 HydrophobicContact CD2-CG1 4.12Å; Y402-V459 HydrophobicContact CD2-CG2 4.3Å; Y402-V459 HydrophobicContact CE1-CG1 3.99Å; Y402-V459 HydrophobicContact CE1-CG2 4.21Å; Y402-V459 HydrophobicContact CE2-CG1 4.19Å; Y402-V459 HydrophobicContact CE2-CG2 3.63Å; Y402-V459 HydrophobicContact CG-CG1 3.97Å; R422-V459 PolarHBondContact NH2-O 2.75Å
460E81.3Confident91.2Very high155 Ų15543.1 Ų43.172%0.72424%0.236SC*.SBendtrans-92.9-33.3-168.5-67.9175.2-144.800112.6Y402 N458Y402-E460 PolarHBondContact OH-OE1 3.36Å; N458-E460 PolarHBondContact OD1-N 3.24Å
461G78.7Confident91.3Very high44 Ų4450 Ų5045%0.45426%0.256SS..  trans106.611.517300000115.9N458 G463N458-G461 PolarHBondContact OD1-N 3.38Å; G461-G463 PolarHBondContact O-N 3.01Å
462D82.8Confident91.1Very high98 Ų9854.2 Ų54.252%0.52428%0.278SS..  trans-79.246169.964.6-46.7000112.4N458 N464N458-D462 PolarHBondContact ND2-OD1 2.85Å; N458-D462 PolarHBondContact OD1-OD1 3.38Å; D462-N464 PolarHBondContact O-ND2 2.84Å
463G84.9Confident90.4Very high15 Ų1555.3 Ų55.316%0.15529%0.286CS..PPolyproline II helixtrans-59.3146.417800000112.6S455 G461S455-G463 WeakPolarHBondContact O-CA 3.39Å; G461-G463 PolarHBondContact O-N 3.01Å
464N92.4Very high88.8Confident75 Ų7562.3 Ų62.340%0.40132%0.318SS..PPolyproline II helixtrans-99.6126-179.6-44.9143.1000110.9S455 D462 L472S455-N464 PolarHBondContact N-O 3.43Å; S455-N464 WeakPolarHBondContact OG-CB 3.35Å; S455-N464 PolarHBondContact OG-N 2.97Å; D462-N464 PolarHBondContact O-ND2 2.84Å; N464-L472 HydrophobicContact CB-CD2 3.56Å
465F94.9Very high86.8Confident64 Ų6463.1 Ų63.128%0.28134%0.335SS..EExtended strand (participates in β ladder)trans-70.1141.5178.1-61.2-61.5000112.7V440 F445 M451 W453 E454 S473V440-F465 HydrophobicContact CG2-CD1 3.77Å; V440-F465 HydrophobicContact CG2-CE1 3.94Å; F445-F465 HydrophobicContact CE1-CE2 4.33Å; F445-F465 HydrophobicContact CE1-CZ 4.34Å; F445-F465 HydrophobicContact CE2-CZ 4.36Å; F445-F465 HydrophobicContact CZ-CE1 4.34Å; F445-F465 HydrophobicContact CZ-CE2 4.1Å; F445-F465 AromaticContact CZ-CZ 3.77Å; F445-F465 HydrophobicContact CZ-CZ 3.77Å; M451-F465 HydrophobicContact CG-CB 4.25Å; M451-F465 HydrophobicContact SD-CB 4.46Å; M451-F465 HydrophobicContact SD-CD2 4.33Å; M451-F465 HydrophobicContact SD-CG 4.37Å; W453-F465 CarbonylContact O-C 3.58Å; W453-F465 WeakPolarHBondContact O-CA 3.34Å; E454-F465 HydrophobicContact CB-CD1 4.11Å; E454-F465 HydrophobicContact CB-CE1 4.1Å; E454-F465 HydrophobicContact CG-CD1 4.18Å; E454-F465 HydrophobicContact CG-CE1 3.93Å; F465-S473 PolarHBondContact O-N 3.1Å
466C94.6Very high84.5Confident2 Ų267.2 Ų67.21%0.01436%0.361CS..EExtended strand (participates in β ladder)trans-138.6153-175.5-66.70000111.3S450 V452 W453 R471 S473S450-C466 CarbonylContact O-C 3.56Å; V452-C466 PolarHBondContact N-O 3.01Å; W453-C466 HydrophobicContact CB-CB 4.24Å; W453-C466 PolarHBondContact N-O 2.81Å; W453-C466 PolarHBondContact O-N 3.37Å; C466-R471 CarbonylContact C-O 3.55Å; C466-R471 WeakPolarHBondContact CA-O 3.43Å; C466-R471 WeakPolarHBondContact CB-O 3.06Å; C466-S473 VanDerWaalsContact C-OG 3.25Å
467N94.4Very high81.9Confident42 Ų4273.7 Ų73.723%0.22539%0.39CS..  trans-78.9179.7176.386.7-22.7000112.1S450 D469 F470 R471 S473S450-N467 WeakPolarHBondContact O-CA 3.36Å; S450-N467 PolarHBondContact O-N 3.35Å; N467-D469 PolarHBondContact ND2-OD2 3.11Å; N467-D469 VanDerWaalsContact ND2-OD2 3.12Å; N467-D469 PolarHBondContact O-N 2.96Å; N467-D469 WeakPolarHBondContact OD1-CA 3.34Å; N467-D469 PolarHBondContact OD1-N 3.35Å; N467-F470 PolarHBondContact O-N 3.31Å; N467-F470 PolarHBondContact OD1-N 3.43Å; N467-R471 PolarHBondContact N-O 3.48Å; N467-R471 WeakPolarHBondContact OD1-CB 3.11Å; N467-R471 PolarHBondContact OD1-N 2.9Å; N467-S473 PolarHBondContact N-OG 3.24Å
468S94.4Very high79.5Confident10 Ų1080 Ų807%0.0741%0.41CS..THydrogen-bonded Turntrans-57-20.4179.3-63.90000115T226T226-S468 VanDerWaalsContact O-CB 3.25Å; T226-S468 WeakPolarHBondContact O-CB 3.37Å
469D93.6Very high77.1Confident99 Ų9984 Ų8453%0.52944%0.438SS..THydrogen-bonded Turntrans-101.212.7179.8-47.6-67.7000112.8N467 R471N467-D469 PolarHBondContact ND2-OD2 3.11Å; N467-D469 VanDerWaalsContact ND2-OD2 3.12Å; N467-D469 PolarHBondContact O-N 2.96Å; N467-D469 WeakPolarHBondContact OD1-CA 3.34Å; N467-D469 PolarHBondContact OD1-N 3.35Å; D469-R471 HydrophobicContact CB-CG 4.19Å; D469-R471 PolarHBondContact O-N 3.09Å
470F93.6Very high74.9Confident27 Ų2788 Ų8812%0.11846%0.464CS..SBendtrans57.634.3-176.7-49.7-88.3000113.5W227 I430 H432 Y437 W453 N467W227-F470 HydrophobicContact CH2-CE2 4.08Å; W227-F470 AromaticContact CH2-CZ 3.9Å; W227-F470 HydrophobicContact CH2-CZ 3.9Å; W227-F470 AromaticContact CZ3-CE2 3.85Å; W227-F470 HydrophobicContact CZ3-CE2 3.85Å; W227-F470 AromaticContact CZ3-CZ 3.83Å; W227-F470 HydrophobicContact CZ3-CZ 3.83Å; I430-F470 HydrophobicContact CD1-CZ 4.18Å; I430-F470 HydrophobicContact CG2-CE1 3.59Å; I430-F470 HydrophobicContact CG2-CZ 3.65Å; H432-F470 HydrophobicContact CB-CD1 4.19Å; H432-F470 HydrophobicContact CB-CD2 4.08Å; H432-F470 HydrophobicContact CB-CE1 4.19Å; H432-F470 HydrophobicContact CB-CE2 4.09Å; H432-F470 HydrophobicContact CB-CG 4.13Å; H432-F470 HydrophobicContact CB-CZ 4.16Å; H432-F470 AromaticContact CE1-CD2 3.5Å; H432-F470 VanDerWaalsContact CE1-CD2 3.5Å; H432-F470 WeakPolarHBondContact CE1-CD2 3.37Å; H432-F470 AromaticContact CE1-CG 3.76Å; H432-F470 AromaticContact CG-CD2 3.56Å; H432-F470 AromaticContact CG-CE2 3.93Å; H432-F470 AromaticContact CG-CG 3.8Å; H432-F470 WeakPolarHBondContact ND1-CB 3.4Å; H432-F470 AromaticContact ND1-CD2 3.26Å; H432-F470 VanDerWaalsContact ND1-CD2 3.26Å; H432-F470 WeakPolarHBondContact ND1-CD2 3.46Å; H432-F470 AromaticContact ND1-CG 3.21Å; H432-F470 WeakPolarHBondContact ND1-CG 3.27Å; H432-F470 AromaticContact NE2-CD2 3.99Å; Y437-F470 AromaticContact CD1-CD1 3.93Å; Y437-F470 HydrophobicContact CD1-CD1 3.93Å; Y437-F470 AromaticContact CD2-CD1 3.55Å; Y437-F470 HydrophobicContact CD2-CD1 3.55Å; Y437-F470 AromaticContact CD2-CE1 3.81Å; Y437-F470 HydrophobicContact CD2-CE1 3.81Å; Y437-F470 HydrophobicContact CE1-CD1 4.07Å; Y437-F470 HydrophobicContact CE2-CB 4.43Å; Y437-F470 AromaticContact CE2-CD1 3.71Å; Y437-F470 HydrophobicContact CE2-CD1 3.71Å; Y437-F470 HydrophobicContact CE2-CE1 4.38Å; Y437-F470 HydrophobicContact CE2-CG 4.33Å; Y437-F470 AromaticContact CG-CD1 3.66Å; Y437-F470 HydrophobicContact CG-CD1 3.66Å; Y437-F470 AromaticContact CG-CE1 3.87Å; Y437-F470 HydrophobicContact CG-CE1 3.87Å; Y437-F470 AromaticContact CZ-CD1 3.96Å; W453-F470 HydrophobicContact CB-CD1 4.31Å; W453-F470 HydrophobicContact CB-CE1 4.29Å; W453-F470 AromaticContact CD1-CD1 3.87Å; W453-F470 AromaticContact CD1-CE1 3.51Å; W453-F470 AromaticContact CD1-CZ 3.95Å; W453-F470 AromaticContact CD2-CE1 3.7Å; W453-F470 HydrophobicContact CD2-CE1 3.7Å; W453-F470 HydrophobicContact CD2-CZ 4.25Å; W453-F470 AromaticContact CE2-CE1 3.75Å; W453-F470 AromaticContact CE2-CZ 3.81Å; W453-F470 HydrophobicContact CE3-CE1 4.41Å; W453-F470 HydrophobicContact CG-CD1 4Å; W453-F470 AromaticContact CG-CE1 3.59Å; W453-F470 HydrophobicContact CG-CE1 3.59Å; W453-F470 HydrophobicContact CG-CZ 4.36Å; W453-F470 HydrophobicContact CZ2-CZ 4.28Å; W453-F470 AromaticContact NE1-CE1 3.6Å; W453-F470 AromaticContact NE1-CZ 3.58Å; N467-F470 PolarHBondContact O-N 3.31Å; N467-F470 PolarHBondContact OD1-N 3.43Å
471R92Very high73.1Confident183 Ų18383.8 Ų83.869%0.69146%0.456SS*.  trans-90.4133168.4-56-70.8-67.7-157.7-3.5108.1C466 N467 D469 S473C466-R471 CarbonylContact C-O 3.55Å; C466-R471 WeakPolarHBondContact CA-O 3.43Å; C466-R471 WeakPolarHBondContact CB-O 3.06Å; N467-R471 PolarHBondContact N-O 3.48Å; N467-R471 WeakPolarHBondContact OD1-CB 3.11Å; N467-R471 PolarHBondContact OD1-N 2.9Å; D469-R471 HydrophobicContact CB-CG 4.19Å; D469-R471 PolarHBondContact O-N 3.09Å; R471-S473 PolarHBondContact O-N 3.34Å
472L90.3Very high71.4Confident110 Ų11086.3 Ų86.358%0.57647%0.472SS*.BIsolated β-bridgetrans-53.2120.4174.9-77.6167.1000110.6N464 H474N464-L472 HydrophobicContact CB-CD2 3.56Å; L472-H474 PolarHBondContact O-N 3.12Å
473S79.9Confident69.7Low24 Ų2486 Ų8617%0.16848%0.484CS..  trans-86.2100.3178.7-63.80000108.2S450 F465 C466 N467 R471 A475S450-S473 WeakPolarHBondContact O-CB 3.33Å; S450-S473 PolarHBondContact O-OG 2.84Å; F465-S473 PolarHBondContact O-N 3.1Å; C466-S473 VanDerWaalsContact C-OG 3.25Å; N467-S473 PolarHBondContact N-OG 3.24Å; R471-S473 PolarHBondContact O-N 3.34Å; S473-A475 PolarHBondContact O-N 3.08Å
474H64.1Low67.8Low147 Ų14792.6 Ų92.668%0.68151%0.514SS*.PPolyproline II helixtrans-60.2133.7163.5-75.433.5000107.9L472L472-H474 PolarHBondContact O-N 3.12Å
475A54.5Low66.3Low73 Ų7396 Ų9660%0.60353%0.532SS*.PPolyproline II helixtrans-48.9135.9159.200000107.5S473 E477S473-A475 PolarHBondContact O-N 3.08Å; A475-E477 PolarHBondContact O-N 3.05Å
476P47.3Very low64.6Low99 Ų9998.4 Ų98.464%0.64355%0.554SS**PPolyproline II helixtrans-53.7120.4-168.720.4-32.9000109.4R478P476-R478 PolarHBondContact O-N 3.39Å
477E39.8Very low62.7Low149 Ų149102.2 Ų102.270%0.69658%0.578SS**PPolyproline II helixtrans-52.2117.6174.2-78.9-161.5142.400107.1A475 P479A475-E477 PolarHBondContact O-N 3.05Å; E477-P479 VanDerWaalsContact O-CD 3.28Å; E477-P479 WeakPolarHBondContact O-CD 3.26Å
478R40Very low61Low224 Ų224102.7 Ų102.785%0.84559%0.585SS**  trans-52112.2162165.9177.3-80.2156.1-4.8104.4P476P476-R478 PolarHBondContact O-N 3.39Å
479P38.3Very low59.6Low104 Ų104107.1 Ų107.168%0.67562%0.616SS**  trans-55.2127.7-160.817.3-31.6000108.6E477 A481E477-P479 VanDerWaalsContact O-CD 3.28Å; E477-P479 WeakPolarHBondContact O-CD 3.26Å; P479-A481 VanDerWaalsContact O-CA 3.27Å; P479-A481 WeakPolarHBondContact O-CA 3.28Å; P479-A481 PolarHBondContact O-N 3.34Å
480P41Very low58.3Low105 Ų105110 Ų11068%0.68263%0.626SS**  trans-51.2111.2-161.416.3-31.4000109.6A482P480-A482 WeakPolarHBondContact O-CA 3.42Å; P480-A482 PolarHBondContact O-N 2.95Å
481A43.7Very low56.9Low66 Ų66114.2 Ų114.255%0.54565%0.646SS.*  trans-51.3106.4-148.900000111.7P479 A483 L484P479-A481 VanDerWaalsContact O-CA 3.27Å; P479-A481 WeakPolarHBondContact O-CA 3.28Å; P479-A481 PolarHBondContact O-N 3.34Å; A481-A483 VanDerWaalsContact C-N 3.31Å; A481-A483 PolarHBondContact O-N 3.15Å; A481-L484 HydrophobicContact CB-CD1 4.42Å
482A42.5Very low55.6Low96 Ų96110.8 Ų110.879%0.79364%0.638SS**THydrogen-bonded Turntrans-66.584.7-15900000112.6P480 L484P480-A482 WeakPolarHBondContact O-CA 3.42Å; P480-A482 PolarHBondContact O-N 2.95Å; A482-L484 VanDerWaalsContact C-N 3.29Å; A482-L484 PolarHBondContact O-N 3.36Å
483A46.5Very low54.6Low93 Ų93110.2 Ų110.277%0.76963%0.633SS**THydrogen-bonded Turntrans43.750.2-17500000113.6A481 L485A481-A483 VanDerWaalsContact C-N 3.31Å; A481-A483 PolarHBondContact O-N 3.15Å; A483-L485 VanDerWaalsContact C-N 3.27Å; A483-L485 PolarHBondContact O-N 2.89Å
484L46.3Very low54.2Low152 Ų152117 Ų11780%0.79666%0.655SS**  trans-63.396.5161-77.8179.4000108.2A481 A482A481-L484 HydrophobicContact CB-CD1 4.42Å; A482-L484 VanDerWaalsContact C-N 3.29Å; A482-L484 PolarHBondContact O-N 3.36Å
485L61.4Low54.5Low148 Ų148115.8 Ų115.878%0.77565%0.649SS**PPolyproline II helixtrans-49.1144.6162.8-68.2166.5000108.4A483A483-L485 VanDerWaalsContact C-N 3.27Å; A483-L485 PolarHBondContact O-N 2.89Å
486P59Low55.4Low114 Ų114116.8 Ų116.874%0.7464%0.643SS**PPolyproline II helixtrans-53.9130.3175.723.6-33.3000108.7S488P486-S488 PolarHBondContact O-N 3.39Å
487P54.1Low56.7Low81 Ų81115.2 Ų115.253%0.52663%0.63SS.*PPolyproline II helixtrans-56.6140.2-172.923.1-33.9000109.6E491P487-E491 HydrophobicContact CB-CB 4.47Å
488S59.3Low58.3Low52 Ų52114.3 Ų114.336%0.36463%0.626SS.*PPolyproline II helixtrans-62.1150.4-179.671.30000109.6P486 Q490 E491 Q492P486-S488 PolarHBondContact O-N 3.39Å; S488-Q490 PolarHBondContact O-N 3.08Å; S488-E491 WeakPolarHBondContact CB-OE2 3.46Å; S488-E491 PolarHBondContact N-OE2 2.88Å; S488-E491 PolarHBondContact O-N 2.99Å; S488-E491 PolarHBondContact OG-N 3.04Å; S488-E491 PolarHBondContact OG-OE2 2.92Å; S488-Q492 PolarHBondContact O-N 2.85Å
489S64.3Low59.9Low104 Ų104108.5 Ų108.573%0.72761%0.611SS**Hα-helixtrans-58.4-19.9178.2-460000112.6Q493S489-Q493 WeakPolarHBondContact O-CB 3.31Å; S489-Q493 PolarHBondContact O-N 3.04Å; S489-Q493 VanDerWaalsContact O-N 3.12Å
490Q66.1Low61.8Low158 Ų158111.5 Ų111.574%0.73861%0.61SS**Hα-helixtrans-75-39.7171.5-64.2-168-92.700112.9S488 Q493 R494S488-Q490 PolarHBondContact O-N 3.08Å; Q490-Q493 PolarHBondContact O-N 3.03Å; Q490-R494 WeakPolarHBondContact O-CB 3.49Å; Q490-R494 WeakPolarHBondContact O-CG 3.47Å; Q490-R494 PolarHBondContact O-N 3.01Å
491E64.6Low63.6Low116 Ų116112 Ų11254%0.54261%0.607SS.*Hα-helixtrans-69.2-40.9176.3-72.7154.6129.500111P487 S488 Q493 R494 Q495P487-E491 HydrophobicContact CB-CB 4.47Å; S488-E491 WeakPolarHBondContact CB-OE2 3.46Å; S488-E491 PolarHBondContact N-OE2 2.88Å; S488-E491 PolarHBondContact O-N 2.99Å; S488-E491 PolarHBondContact OG-N 3.04Å; S488-E491 PolarHBondContact OG-OE2 2.92Å; E491-Q493 VanDerWaalsContact C-N 3.33Å; E491-Q493 PolarHBondContact O-N 2.91Å; E491-R494 WeakPolarHBondContact O-CB 3.34Å; E491-R494 PolarHBondContact O-N 3Å; E491-R494 VanDerWaalsContact O-N 3.14Å; E491-Q495 PolarHBondContact O-N 2.91Å
492Q65.3Low65.3Low112 Ų112112.8 Ų112.852%0.52361%0.605SS.*Hα-helixtrans-62.6-39.9174.1-158.9170.310.800111.5S488 Q495 I496S488-Q492 PolarHBondContact O-N 2.85Å; Q492-Q495 PolarHBondContact O-N 3.16Å; Q492-I496 WeakPolarHBondContact O-CD1 3.49Å; Q492-I496 VanDerWaalsContact O-CG1 3.31Å; Q492-I496 WeakPolarHBondContact O-CG1 3.5Å; Q492-I496 PolarHBondContact O-N 3.29Å
493Q67.4Low66.8Low98 Ų98110.9 Ų110.946%0.45859%0.588SS.*Hα-helixtrans-65-42171-173.163.355.800112.4S489 Q490 E491 Q495 I496 D497S489-Q493 WeakPolarHBondContact O-CB 3.31Å; S489-Q493 PolarHBondContact O-N 3.04Å; S489-Q493 VanDerWaalsContact O-N 3.12Å; Q490-Q493 PolarHBondContact O-N 3.03Å; E491-Q493 VanDerWaalsContact C-N 3.33Å; E491-Q493 PolarHBondContact O-N 2.91Å; Q493-Q495 PolarHBondContact O-N 3.23Å; Q493-I496 PolarHBondContact O-N 2.97Å; Q493-D497 PolarHBondContact NE2-OD1 3.26Å; Q493-D497 WeakPolarHBondContact O-CB 3.29Å; Q493-D497 PolarHBondContact O-N 3.5Å
494R72.7Confident68.3Low166 Ų166108.2 Ų108.263%0.62656%0.563SS**Hα-helixtrans-60.3-31.2176.7-69.1-101.466.9-178.5-0.1112.6Q490 E491 D497 Q498Q490-R494 WeakPolarHBondContact O-CB 3.49Å; Q490-R494 WeakPolarHBondContact O-CG 3.47Å; Q490-R494 PolarHBondContact O-N 3.01Å; E491-R494 WeakPolarHBondContact O-CB 3.34Å; E491-R494 PolarHBondContact O-N 3Å; E491-R494 VanDerWaalsContact O-N 3.14Å; R494-D497 IonicContact NE-OD2 3.97Å; R494-D497 IonicContact NH2-OD2 2.72Å; R494-Q498 WeakPolarHBondContact O-CB 3.36Å; R494-Q498 PolarHBondContact O-N 3.3Å
495Q70.7Confident69.7Low122 Ų122103.8 Ų103.857%0.5754%0.544SS*.Hα-helixtrans-76.1-47177.5-154.91606.700110.6E491 Q492 Q493 D497 Q498 D499E491-Q495 PolarHBondContact O-N 2.91Å; Q492-Q495 PolarHBondContact O-N 3.16Å; Q493-Q495 PolarHBondContact O-N 3.23Å; Q495-D497 VanDerWaalsContact C-N 3.33Å; Q495-D497 PolarHBondContact O-N 3.23Å; Q495-Q498 WeakPolarHBondContact O-CB 3.41Å; Q495-Q498 PolarHBondContact O-N 3.36Å; Q495-D499 PolarHBondContact O-N 2.97Å
496I72.4Confident70.2Confident93 Ų93101.6 Ų101.648%0.47753%0.533SS..Hα-helixtrans-57.1-43.7171.8-66.8163.1000111.8Q492 Q493 Q498 Y500Q492-I496 WeakPolarHBondContact O-CD1 3.49Å; Q492-I496 VanDerWaalsContact O-CG1 3.31Å; Q492-I496 WeakPolarHBondContact O-CG1 3.5Å; Q492-I496 PolarHBondContact O-N 3.29Å; Q493-I496 PolarHBondContact O-N 2.97Å; I496-Q498 PolarHBondContact O-N 3.39Å; I496-Y500 WeakPolarHBondContact O-CB 3.49Å; I496-Y500 PolarHBondContact O-N 2.89Å
497D74.9Confident70.6Confident66 Ų66102.6 Ų102.635%0.35353%0.528SS..Hα-helixtrans-59.7-35.2175.9-66.8-11.3000112Q493 R494 Q495 L501Q493-D497 PolarHBondContact NE2-OD1 3.26Å; Q493-D497 WeakPolarHBondContact O-CB 3.29Å; Q493-D497 PolarHBondContact O-N 3.5Å; R494-D497 IonicContact NE-OD2 3.97Å; R494-D497 IonicContact NH2-OD2 2.72Å; Q495-D497 VanDerWaalsContact C-N 3.33Å; Q495-D497 PolarHBondContact O-N 3.23Å; D497-L501 WeakPolarHBondContact O-CB 3.35Å; D497-L501 PolarHBondContact O-N 3.02Å
498Q72.8Confident71.1Confident131 Ų131104.7 Ų104.761%0.61253%0.531SS*.Hα-helixtrans-77-47.4-177.9-169174.8134.800111.1R494 Q495 I496 Y500 L501 V502R494-Q498 WeakPolarHBondContact O-CB 3.36Å; R494-Q498 PolarHBondContact O-N 3.3Å; Q495-Q498 WeakPolarHBondContact O-CB 3.41Å; Q495-Q498 PolarHBondContact O-N 3.36Å; I496-Q498 PolarHBondContact O-N 3.39Å; Q498-Y500 VanDerWaalsContact C-N 3.3Å; Q498-Y500 PolarHBondContact O-N 3.02Å; Q498-L501 PolarHBondContact O-N 2.68Å; Q498-L501 VanDerWaalsContact O-N 3.14Å; Q498-V502 WeakPolarHBondContact O-CG2 3.38Å; Q498-V502 PolarHBondContact O-N 3.07Å
499D73.7Confident71Confident102 Ų102109.3 Ų109.355%0.54555%0.546SS..Hα-helixtrans-62.4-39.6176.6-63.8-22.1000110.9Q495 V502 A503Q495-D499 PolarHBondContact O-N 2.97Å; D499-V502 PolarHBondContact O-N 3Å; D499-A503 WeakPolarHBondContact O-CB 3.36Å; D499-A503 PolarHBondContact O-N 3Å
500Y77.9Confident70.4Confident166 Ų166112.1 Ų112.165%0.65155%0.548SS*.Hα-helixtrans-61.3-42.7172.7-178.3-99.2000112.3I496 Q498 A503 V504I496-Y500 WeakPolarHBondContact O-CB 3.49Å; I496-Y500 PolarHBondContact O-N 2.89Å; Q498-Y500 VanDerWaalsContact C-N 3.3Å; Q498-Y500 PolarHBondContact O-N 3.02Å; Y500-A503 PolarHBondContact O-N 2.91Å; Y500-V504 HydrophobicContact CD1-CG2 4.26Å; Y500-V504 HydrophobicContact CE1-CG2 3.86Å; Y500-V504 HydrophobicContact CE2-CG2 4.21Å; Y500-V504 WeakPolarHBondContact O-CB 3.47Å; Y500-V504 WeakPolarHBondContact O-CG2 3.32Å; Y500-V504 PolarHBondContact O-N 3.21Å
501L79.4Confident69.5Low116 Ų116112.9 Ų112.961%0.60755%0.551SS**Hα-helixtrans-67-36.1178.3-163.869.8000112.3D497 Q498 S505D497-L501 WeakPolarHBondContact O-CB 3.35Å; D497-L501 PolarHBondContact O-N 3.02Å; Q498-L501 PolarHBondContact O-N 2.68Å; Q498-L501 VanDerWaalsContact O-N 3.14Å; L501-S505 WeakPolarHBondContact O-CB 3.45Å; L501-S505 PolarHBondContact O-N 3.07Å; L501-S505 PolarHBondContact O-OG 3.5Å
502V79.1Confident68.6Low83 Ų83110.5 Ų110.550%0.50356%0.558SS.*Hα-helixtrans-66.6-45.6172.4172.90000111.2Q498 D499 V504 S505 L506Q498-V502 WeakPolarHBondContact O-CG2 3.38Å; Q498-V502 PolarHBondContact O-N 3.07Å; D499-V502 PolarHBondContact O-N 3Å; V502-V504 PolarHBondContact O-N 2.82Å; V502-S505 WeakPolarHBondContact O-CB 3.47Å; V502-S505 PolarHBondContact O-N 3.15Å; V502-S505 VanDerWaalsContact O-N 3.17Å; V502-L506 HydrophobicContact CG1-CD1 4.24Å; V502-L506 PolarHBondContact O-N 3.17Å
503A73.9Confident67.4Low55 Ų55108.8 Ų108.846%0.45556%0.563SS.*Hα-helixtrans-60.7-45177.600000112.3D499 Y500 S505 L506 Q507D499-A503 WeakPolarHBondContact O-CB 3.36Å; D499-A503 PolarHBondContact O-N 3Å; Y500-A503 PolarHBondContact O-N 2.91Å; A503-S505 VanDerWaalsContact C-N 3.31Å; A503-S505 PolarHBondContact O-N 3.09Å; A503-L506 PolarHBondContact O-N 2.68Å; A503-Q507 PolarHBondContact O-N 3.01Å
504V78.9Confident66.7Low38 Ų38110.9 Ų110.923%0.2359%0.585CS.*Hα-helixtrans-63.8-35.5175.3171.10000111.8Y500 V502 Q507 Q508Y500-V504 HydrophobicContact CD1-CG2 4.26Å; Y500-V504 HydrophobicContact CE1-CG2 3.86Å; Y500-V504 HydrophobicContact CE2-CG2 4.21Å; Y500-V504 WeakPolarHBondContact O-CB 3.47Å; Y500-V504 WeakPolarHBondContact O-CG2 3.32Å; Y500-V504 PolarHBondContact O-N 3.21Å; V502-V504 PolarHBondContact O-N 2.82Å; V504-Q507 PolarHBondContact O-N 2.88Å; V504-Q508 WeakPolarHBondContact O-CG 3.47Å; V504-Q508 PolarHBondContact O-N 3.19Å
505S75.5Confident65.8Low58 Ų58105.6 Ų105.641%0.40658%0.583SS.*Hα-helixtrans-67.2-42.3176.6-59.10000112.3L501 V502 A503 Q508 Q509L501-S505 WeakPolarHBondContact O-CB 3.45Å; L501-S505 PolarHBondContact O-N 3.07Å; L501-S505 PolarHBondContact O-OG 3.5Å; V502-S505 WeakPolarHBondContact O-CB 3.47Å; V502-S505 PolarHBondContact O-N 3.15Å; V502-S505 VanDerWaalsContact O-N 3.17Å; A503-S505 VanDerWaalsContact C-N 3.31Å; A503-S505 PolarHBondContact O-N 3.09Å; S505-Q508 PolarHBondContact O-N 2.8Å; S505-Q509 WeakPolarHBondContact O-CG 3.45Å; S505-Q509 PolarHBondContact O-N 3.18Å; S505-Q509 VanDerWaalsContact O-N 3.08Å
506L72.6Confident65Low103 Ų103106.1 Ų106.154%0.53960%0.596SS.*Hα-helixtrans-61-42.9172.9-91.5157.1000111.9V502 A503 Q509 Q510V502-L506 HydrophobicContact CG1-CD1 4.24Å; V502-L506 PolarHBondContact O-N 3.17Å; A503-L506 PolarHBondContact O-N 2.68Å; L506-Q509 PolarHBondContact O-N 3.03Å; L506-Q510 PolarHBondContact O-N 3.45Å
507Q67.8Low64.2Low134 Ų134106.4 Ų106.463%0.62660%0.598SS**Hα-helixtrans-65.5-41.8178.6-165168.823.700112.1A503 V504 Q509 Q510A503-Q507 PolarHBondContact O-N 3.01Å; V504-Q507 PolarHBondContact O-N 2.88Å; Q507-Q509 VanDerWaalsContact C-N 3.33Å; Q507-Q509 PolarHBondContact O-N 3.3Å; Q507-Q510 PolarHBondContact O-N 3.47Å
508Q63.2Low63.9Low126 Ų126106.4 Ų106.459%0.58960%0.603SS**Hα-helixtrans-68.2-28.6175.8-72.5177.420.200113.3V504 S505 Q510 E511V504-Q508 WeakPolarHBondContact O-CG 3.47Å; V504-Q508 PolarHBondContact O-N 3.19Å; S505-Q508 PolarHBondContact O-N 2.8Å; Q508-Q510 VanDerWaalsContact C-N 3.26Å; Q508-Q510 PolarHBondContact O-N 3.47Å; Q508-E511 PolarHBondContact O-N 3.05Å
509Q57.3Low63.2Low149 Ų149106.7 Ų106.770%0.69661%0.609SS**Hα-helixtrans-69.1-23.2174.2-77.9-177.2-10.100113.1S505 L506 Q507S505-Q509 WeakPolarHBondContact O-CG 3.45Å; S505-Q509 PolarHBondContact O-N 3.18Å; S505-Q509 VanDerWaalsContact O-N 3.08Å; L506-Q509 PolarHBondContact O-N 3.03Å; Q507-Q509 VanDerWaalsContact C-N 3.33Å; Q507-Q509 PolarHBondContact O-N 3.3Å
510Q52.1Low63.1Low163 Ų163108.5 Ų108.576%0.76262%0.618SS**Hα-helixtrans-77.9-21.4175.8-69.7-177.6-19.400113.5L506 Q507 Q508 G512L506-Q510 PolarHBondContact O-N 3.45Å; Q507-Q510 PolarHBondContact O-N 3.47Å; Q508-Q510 VanDerWaalsContact C-N 3.26Å; Q508-Q510 PolarHBondContact O-N 3.47Å; Q510-G512 VanDerWaalsContact C-N 3.26Å; Q510-G512 PolarHBondContact O-N 3.35Å
511E47.6Very low63.1Low173 Ų173105.9 Ų105.981%0.80861%0.612SS**THydrogen-bonded Turntrans-81-2.3174.9-61.2-171.5136.700113.3Q508Q508-E511 PolarHBondContact O-N 3.05Å
512G46.2Very low63Low66 Ų66103.8 Ų103.868%0.6860%0.601SS**THydrogen-bonded Turntrans-99.8-4.7-166.300000117.8Q510Q510-G512 VanDerWaalsContact C-N 3.26Å; Q510-G512 PolarHBondContact O-N 3.35Å
513A39.9Very low63Low76 Ų76102.6 Ų102.663%0.62860%0.6SS**  trans-132.8130.9-17100000113.2G515A513-G515 VanDerWaalsContact C-N 3.27Å; A513-G515 PolarHBondContact O-N 3.49Å
514P51.3Low63.4Low143 Ų143108.2 Ų108.293%0.92961%0.609SS**  trans-78.574.3175.933.1-34.8000111.2
515G55.3Low63.6Low55 Ų55110.7 Ų110.757%0.56762%0.618SS**  trans-81.3-176.8168.100000112.9A513A513-G515 VanDerWaalsContact C-N 3.27Å; A513-G515 PolarHBondContact O-N 3.49Å
516P53.1Low63.9Low132 Ų132112.7 Ų112.786%0.85762%0.624SS**SBendtrans-60.5157.9164.429.8-34.9000110.7S518P516-S518 PolarHBondContact O-N 3.39Å
517L54.8Low64.4Low100 Ų100114.3 Ų114.352%0.52463%0.629SS.*  trans-43.3133.5-178.4-67.3168000111.8
518S68.6Low65.1Low65 Ų65113.4 Ų113.446%0.45562%0.624SS.*  trans-59.7143.9176-179.10000110.1P516 L520 E521 L522P516-S518 PolarHBondContact O-N 3.39Å; S518-L520 PolarHBondContact O-N 2.89Å; S518-E521 PolarHBondContact N-OE2 3.28Å; S518-E521 WeakPolarHBondContact O-CA 3.28Å; S518-E521 WeakPolarHBondContact O-CB 3.24Å; S518-E521 PolarHBondContact O-N 2.99Å; S518-L522 PolarHBondContact O-N 3.26Å
519D58.7Low66.1Low137 Ų137111.9 Ų111.973%0.73362%0.617SS**Hα-helixtrans-52-32.2176.7-72.5-19.4000112.2A523D519-A523 WeakPolarHBondContact O-CB 3.45Å; D519-A523 PolarHBondContact O-N 3.16Å
520L71.6Confident67.3Low141 Ų141110.9 Ų110.974%0.73861%0.613SS**Hα-helixtrans-65-40.6174.4-16981.2000112.6S518 R524S518-L520 PolarHBondContact O-N 2.89Å; L520-R524 VanDerWaalsContact O-CB 3.25Å; L520-R524 WeakPolarHBondContact O-CB 3.38Å; L520-R524 PolarHBondContact O-N 3.32Å; L520-R524 VanDerWaalsContact O-N 3.13Å
521E78Confident68.7Low110 Ų110110.3 Ų110.351%0.51461%0.605SS.*Hα-helixtrans-74.1-42.6178.2-64.2179.8118.900111S518 R524 Q525S518-E521 PolarHBondContact N-OE2 3.28Å; S518-E521 WeakPolarHBondContact O-CA 3.28Å; S518-E521 WeakPolarHBondContact O-CB 3.24Å; S518-E521 PolarHBondContact O-N 2.99Å; E521-R524 PolarHBondContact O-N 2.89Å; E521-Q525 PolarHBondContact O-N 3.39Å
522L77Confident70.4Confident73 Ų73107.6 Ų107.638%0.38259%0.592SS.*Hα-helixtrans-63.6-46.2176.9-178.359.9000111.4S518 R524 Q525 L526S518-L522 PolarHBondContact O-N 3.26Å; L522-R524 VanDerWaalsContact C-N 3.29Å; L522-R524 PolarHBondContact O-N 3.09Å; L522-Q525 PolarHBondContact O-N 3.38Å; L522-L526 HydrophobicContact CD1-CD1 4.41Å; L522-L526 HydrophobicContact CD1-CG 4.47Å; L522-L526 HydrophobicContact CG-CD1 4.22Å; L522-L526 WeakPolarHBondContact O-CG 3.44Å; L522-L526 PolarHBondContact O-N 3.02Å
523A78.8Confident72.1Confident58 Ų58110.9 Ų110.948%0.47959%0.589SS.*Hα-helixtrans-60.3-39.517400000111.9D519 Q527D519-A523 WeakPolarHBondContact O-CB 3.45Å; D519-A523 PolarHBondContact O-N 3.16Å; A523-Q527 VanDerWaalsContact O-CB 3.29Å; A523-Q527 WeakPolarHBondContact O-CB 3.46Å; A523-Q527 PolarHBondContact O-N 2.62Å
524R82.8Confident73.9Confident173 Ų173112.1 Ų112.165%0.65358%0.582SS**Hα-helixtrans-67.8-35.7176.1-174.7179.9178.7117.11.6112.7L520 E521 L522 Q528L520-R524 VanDerWaalsContact O-CB 3.25Å; L520-R524 WeakPolarHBondContact O-CB 3.38Å; L520-R524 PolarHBondContact O-N 3.32Å; L520-R524 VanDerWaalsContact O-N 3.13Å; E521-R524 PolarHBondContact O-N 2.89Å; L522-R524 VanDerWaalsContact C-N 3.29Å; L522-R524 PolarHBondContact O-N 3.09Å; R524-Q528 PolarHBondContact O-N 2.66Å
525Q83.5Confident75Confident90 Ų90109.8 Ų109.842%0.42156%0.559SS.*Hα-helixtrans-68-49.9174.3-178.3177.3-29.100110.9E521 L522 Q527 Q528 E529E521-Q525 PolarHBondContact O-N 3.39Å; L522-Q525 PolarHBondContact O-N 3.38Å; Q525-Q527 VanDerWaalsContact C-N 3.29Å; Q525-Q527 PolarHBondContact O-N 2.99Å; Q525-Q528 WeakPolarHBondContact O-CA 3.35Å; Q525-Q528 WeakPolarHBondContact O-CB 3.14Å; Q525-Q528 PolarHBondContact O-N 2.62Å; Q525-E529 WeakPolarHBondContact CG-OE1 3.46Å; Q525-E529 PolarHBondContact NE2-OE1 2.85Å; Q525-E529 PolarHBondContact O-N 2.9Å
526L80.8Confident75.8Confident99 Ų99112.6 Ų112.652%0.51856%0.557SS.*Hα-helixtrans-57-42.8177.6-71.2169.5000111.6L522 Q528 E529 E530L522-L526 HydrophobicContact CD1-CD1 4.41Å; L522-L526 HydrophobicContact CD1-CG 4.47Å; L522-L526 HydrophobicContact CG-CD1 4.22Å; L522-L526 WeakPolarHBondContact O-CG 3.44Å; L522-L526 PolarHBondContact O-N 3.02Å; L526-Q528 VanDerWaalsContact C-N 3.29Å; L526-Q528 PolarHBondContact O-N 3.02Å; L526-E529 PolarHBondContact O-N 3.28Å; L526-E530 PolarHBondContact O-N 3.39Å
527Q83.2Confident76.7Confident138 Ų138111 Ų11165%0.64554%0.541SS*.Hα-helixtrans-63.1-31174.7-175172.375.300113.1A523 Q525 Y531A523-Q527 VanDerWaalsContact O-CB 3.29Å; A523-Q527 WeakPolarHBondContact O-CB 3.46Å; A523-Q527 PolarHBondContact O-N 2.62Å; Q525-Q527 VanDerWaalsContact C-N 3.29Å; Q525-Q527 PolarHBondContact O-N 2.99Å; Q527-Y531 WeakPolarHBondContact O-CB 3.49Å; Q527-Y531 PolarHBondContact O-N 3.16Å
528Q83.9Confident77.3Confident114 Ų114112.6 Ų112.653%0.53355%0.546SS..Hα-helixtrans-76-35.9172.7-78.5-167.5-24.600113.1R524 Q525 L526 Y531 Q532R524-Q528 PolarHBondContact O-N 2.66Å; Q525-Q528 WeakPolarHBondContact O-CA 3.35Å; Q525-Q528 WeakPolarHBondContact O-CB 3.14Å; Q525-Q528 PolarHBondContact O-N 2.62Å; L526-Q528 VanDerWaalsContact C-N 3.29Å; L526-Q528 PolarHBondContact O-N 3.02Å; Q528-Y531 PolarHBondContact O-N 3.04Å; Q528-Q532 WeakPolarHBondContact O-CG 3.36Å; Q528-Q532 PolarHBondContact O-N 3.39Å
529E84.1Confident77Confident95 Ų95116.2 Ų116.244%0.44456%0.555SS.*Hα-helixtrans-67.8-43.1176.7-71.2179.3-161.600111.4Q525 L526 Y531 Q532 Q533Q525-E529 WeakPolarHBondContact CG-OE1 3.46Å; Q525-E529 PolarHBondContact NE2-OE1 2.85Å; Q525-E529 PolarHBondContact O-N 2.9Å; L526-E529 PolarHBondContact O-N 3.28Å; E529-Y531 PolarHBondContact O-N 3.5Å; E529-Q532 PolarHBondContact O-N 3.04Å; E529-Q533 WeakPolarHBondContact O-CB 3.42Å; E529-Q533 PolarHBondContact O-N 3.33Å
530E83.1Confident77Confident127 Ų127117 Ų11759%0.59356%0.555SS**Hα-helixtrans-58.9-46.3172.8-172.9-178.9-160.300111.4L526 Q532 Q533 Q534L526-E530 PolarHBondContact O-N 3.39Å; E530-Q532 VanDerWaalsContact C-N 3.32Å; E530-Q532 PolarHBondContact O-N 2.9Å; E530-Q533 PolarHBondContact O-N 2.87Å; E530-Q534 WeakPolarHBondContact O-CB 3.46Å; E530-Q534 PolarHBondContact O-N 3.49Å
531Y81.1Confident76.3Confident152 Ų152118.5 Ų118.560%0.59656%0.558SS**Hα-helixtrans-64.4-34.8179.6-153.2-99.5000112.8Q527 Q528 E529 Q535Q527-Y531 WeakPolarHBondContact O-CB 3.49Å; Q527-Y531 PolarHBondContact O-N 3.16Å; Q528-Y531 PolarHBondContact O-N 3.04Å; E529-Y531 PolarHBondContact O-N 3.5Å; Y531-Q535 VanDerWaalsContact CE1-NE2 3.31Å; Y531-Q535 WeakPolarHBondContact O-CG 3.26Å; Y531-Q535 PolarHBondContact O-N 2.91Å; Y531-Q535 VanDerWaalsContact O-N 3.13Å
532Q83.4Confident75.3Confident115 Ų115116.9 Ų116.954%0.53756%0.564SS.*Hα-helixtrans-69.4-42.7172.7-74.9-179.15400112Q528 E529 E530 Q534 Q535 Q536Q528-Q532 WeakPolarHBondContact O-CG 3.36Å; Q528-Q532 PolarHBondContact O-N 3.39Å; E529-Q532 PolarHBondContact O-N 3.04Å; E530-Q532 VanDerWaalsContact C-N 3.32Å; E530-Q532 PolarHBondContact O-N 2.9Å; Q532-Q534 VanDerWaalsContact C-N 3.33Å; Q532-Q534 PolarHBondContact O-N 3.37Å; Q532-Q535 PolarHBondContact O-N 3.11Å; Q532-Q536 WeakPolarHBondContact O-CG 3.22Å; Q532-Q536 PolarHBondContact O-N 3.29Å
533Q80.8Confident73.9Confident135 Ų135116.1 Ų116.163%0.63157%0.574SS**Hα-helixtrans-63.6-40.8178.5-157.6178.4117.200111.1E529 E530 Q535 Q536 L537E529-Q533 WeakPolarHBondContact O-CB 3.42Å; E529-Q533 PolarHBondContact O-N 3.33Å; E530-Q533 PolarHBondContact O-N 2.87Å; Q533-Q535 PolarHBondContact O-N 3.35Å; Q533-Q536 PolarHBondContact O-N 3.35Å; Q533-L537 WeakPolarHBondContact O-CG 3.29Å; Q533-L537 PolarHBondContact O-N 3.42Å
534Q77.4Confident72.3Confident103 Ų103119.5 Ų119.548%0.48159%0.591SS.*Hα-helixtrans-65.8-36.1175.6-159.5174.6102.700112.5E530 Q532 L537 Q538E530-Q534 WeakPolarHBondContact O-CB 3.46Å; E530-Q534 PolarHBondContact O-N 3.49Å; Q532-Q534 VanDerWaalsContact C-N 3.33Å; Q532-Q534 PolarHBondContact O-N 3.37Å; Q534-L537 PolarHBondContact O-N 3.15Å; Q534-Q538 PolarHBondContact O-N 3.28Å; Q534-Q538 VanDerWaalsContact O-N 3.1Å
535Q74.9Confident70.5Confident94 Ų94115.9 Ų115.944%0.43960%0.598SS.*Hα-helixtrans-67.1-37.9171.1-77.5-175.535.400113.1Y531 Q532 Q533 Q538 Q539Y531-Q535 VanDerWaalsContact CE1-NE2 3.31Å; Y531-Q535 WeakPolarHBondContact O-CG 3.26Å; Y531-Q535 PolarHBondContact O-N 2.91Å; Y531-Q535 VanDerWaalsContact O-N 3.13Å; Q532-Q535 PolarHBondContact O-N 3.11Å; Q533-Q535 PolarHBondContact O-N 3.35Å; Q535-Q538 PolarHBondContact O-N 3.25Å; Q535-Q539 WeakPolarHBondContact O-CG 3.5Å; Q535-Q539 PolarHBondContact O-N 3.01Å
536Q73.3Confident68.5Low113 Ų113117.6 Ų117.653%0.52862%0.617SS.*Hα-helixtrans-65.5-39.1175.2-70.3-175.225.700111.7Q532 Q533 Q539 Q540Q532-Q536 WeakPolarHBondContact O-CG 3.22Å; Q532-Q536 PolarHBondContact O-N 3.29Å; Q533-Q536 PolarHBondContact O-N 3.35Å; Q536-Q539 PolarHBondContact O-N 3.25Å; Q536-Q540 WeakPolarHBondContact O-CG 3.4Å; Q536-Q540 PolarHBondContact O-N 3.08Å
537L70.7Confident66.3Low99 Ų99119.4 Ų119.452%0.51863%0.632SS.*Hα-helixtrans-61.9-42.2173.8-74.1165.1000112.2Q533 Q534 Q540 Q541Q533-L537 WeakPolarHBondContact O-CG 3.29Å; Q533-L537 PolarHBondContact O-N 3.42Å; Q534-L537 PolarHBondContact O-N 3.15Å; L537-Q540 PolarHBondContact O-N 3.2Å; L537-Q541 PolarHBondContact O-N 3.39Å
538Q66.9Low64.5Low133 Ų133118.4 Ų118.462%0.62164%0.637SS**Hα-helixtrans-65.3-38.9174.1-74.5-174.46.100112.8Q534 Q535 Q540 Q541 A542Q534-Q538 PolarHBondContact O-N 3.28Å; Q534-Q538 VanDerWaalsContact O-N 3.1Å; Q535-Q538 PolarHBondContact O-N 3.25Å; Q538-Q540 VanDerWaalsContact C-N 3.34Å; Q538-Q540 PolarHBondContact O-N 3.07Å; Q538-Q541 PolarHBondContact O-N 3.19Å; Q538-A542 PolarHBondContact O-N 3.32Å
539Q62.1Low62Low141 Ų141121.2 Ų121.266%0.65965%0.651SS**Hα-helixtrans-67.4-32.5175.9-72.6-178.847.200112.8Q535 Q536 A542Q535-Q539 WeakPolarHBondContact O-CG 3.5Å; Q535-Q539 PolarHBondContact O-N 3.01Å; Q536-Q539 PolarHBondContact O-N 3.25Å; Q539-A542 PolarHBondContact O-N 2.96Å
540Q59.4Low59.6Low153 Ų153124.3 Ų124.372%0.71567%0.665SS**Hα-helixtrans-73.4-24.1175.8-71.7-178.634.900113.6Q536 L537 Q538Q536-Q540 WeakPolarHBondContact O-CG 3.4Å; Q536-Q540 PolarHBondContact O-N 3.08Å; L537-Q540 PolarHBondContact O-N 3.2Å; Q538-Q540 VanDerWaalsContact C-N 3.34Å; Q538-Q540 PolarHBondContact O-N 3.07Å
541Q56.8Low57.1Low173 Ų173124.7 Ų124.781%0.80868%0.675SS**Hα-helixtrans-81.7-16.4170.8-67-171.37.900113.3L537 Q538 G543L537-Q541 PolarHBondContact O-N 3.39Å; Q538-Q541 PolarHBondContact O-N 3.19Å; Q541-G543 PolarHBondContact O-N 3.37Å
542A57.9Low54.7Low77 Ų77129.4 Ų129.464%0.63669%0.692SS**  trans-81.750.1177.700000113.5Q538 Q539Q538-A542 PolarHBondContact O-N 3.32Å; Q539-A542 PolarHBondContact O-N 2.96Å
543G46.5Very low52.1Low57 Ų57127.6 Ų127.659%0.58870%0.704SS**PPolyproline II helixtrans-61.5147.2172.700000112.5Q541Q541-G543 PolarHBondContact O-N 3.37Å
544P45.2Very low49.9Very low129 Ų129131 Ų13184%0.83872%0.72SS**PPolyproline II helixtrans-68.6137.6-169.126.8-35.1000113.4
545A45.8Very low47.6Very low97 Ų97130.1 Ų130.180%0.80274%0.739SS**PPolyproline II helixtrans-66.2131.117800000112.1
546P40.9Very low45.6Very low126 Ų126130.7 Ų130.782%0.81875%0.753SS**PPolyproline II helixtrans-76.7134.3178.930.1-34.1000112
547T36.1Very low43.8Very low136 Ų136133 Ų13383%0.83476%0.764SS**PPolyproline II helixtrans-75.7146.3169.837.60000111.6
548P44.2Very low42.1Very low117 Ų117137 Ų13776%0.7678%0.78SS**PPolyproline II helixtrans-94.5129.5-170.234.1-33.3000113.6
549Q31.4Very low40.5Very low174 Ų174134.7 Ų134.781%0.81378%0.783SS**  trans-157.9112.5147.7-121.7165.5-3.800116.5
550Q33.1Very low39.2Very low160 Ų160140.1 Ų140.175%0.74880%0.798SS**  trans44.2111138.2-62178.7-65.800122.5
551V32.3Very low38.2Very low134 Ų134143.4 Ų143.481%0.81280%0.803SS**  43.6116.3126.9-156.40000119.3
552R29.2Very low37.2Very low252 Ų252146.8 Ų146.895%0.95181%0.809SS**  154.8135.7106.6-163.6170.9-169.5170.51.7112.6
553G30.3Very low36.3Very low76 Ų76150 Ų15078%0.78481%0.811SS**  trans153.4129.8163.400000114.2
554Q33Very low35.7Very low208 Ų208156.7 Ų156.797%0.97282%0.824SS**  trans-97.9144.8169.5-67163.7-40.800109.1
555G30.4Very low35.5Very low84 Ų84158.1 Ų158.187%0.86682%0.819SS**  trans-162.5126.8172.200000109.8
556S33.1Very low35.2Very low105 Ų105157.8 Ų157.873%0.73481%0.811SS**  trans-119.8179.4-170.859.40000112.3
557Q33.7Very low35.1Very low163 Ų163158.7 Ų158.776%0.76281%0.809SS**  trans88.5110.7176-55177.423.900113.4
558Q35.6Very low34.9Very low183 Ų183157.6 Ų157.686%0.85581%0.805SS**  73.9144.180.2-74.3-179.1-800113.7
559A33.5Very low34.6Very low84 Ų84158.2 Ų158.269%0.69481%0.807SS**  cis-175.5150.3-20.700000109.1
560R35.5Very low34.8Very low255 Ų255157.2 Ų157.296%0.96281%0.806SS**  trans-168.6142.4141.4-106.9158-167.6-153.50.8111.8
561R37.8Very low35.2Very low221 Ų221160.7 Ų160.783%0.83483%0.828SS**  trans-95.8152.7179.3-73.1172.9158.5165.4-10.2111.3
562R35.6Very low35.3Very low244 Ų244162 Ų16292%0.92183%0.829SS**  -170.1130.5109-106.6176.8174.6176.5-2.7112
563E39.3Very low35.6Very low146 Ų146157.3 Ų157.368%0.68282%0.822SS**  trans-80.6157.5164.1-49.395.4145.200111.4
564K34.7Very low35.9Very low197 Ų197161.8 Ų161.886%0.85782%0.824SS**  -167.8146.6116.1-119.6-162.8169.5-145.80114.2
565E40Very low36.1Very low158 Ų158159.1 Ų159.174%0.73882%0.816SS**  trans-84.4-171.8162.8-43.1100.9132.500110.5
566S40.2Very low36.5Very low91 Ų91163.8 Ų163.864%0.63681%0.813SS**  cis-162.6176.711.859.70000113.1
567D38.4Very low36.7Very low145 Ų145167.7 Ų167.778%0.77582%0.818SS**  trans63.9105.2147-50.9-35.6000124
568C32.1Very low36.9Very low112 Ų112168 Ų16876%0.75782%0.822SS**  7.3132.6122-165.80000121.2
569V37.6Very low37Very low131 Ų131166.8 Ų166.879%0.79482%0.819SS**  trans-146.2144.9132.1170.10000108
570I36.1Very low37.3Very low153 Ų153173.8 Ų173.879%0.78583%0.83SS**  trans-109143.8164.4-65.1175.7000108.5
571L40.4Very low37.5Very low232 Ų232166.4 Ų166.4100%1.21582%0.818SS**  trans-137.50164.3-96.6170.1000108.5

Retrieved 571 of 571 residues in 564.6 ms (Link to these results)