A0A087X8G6_POEFO Loading...

Insulinoma-associated 1b

May act as a transcriptional regulator. May play a role in neurogenesis and neuroendocrine cell differentiation during embryonic development.

AlphaFold DB , UniProt , Accession A0A087X8G6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 447 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
1M41.3Very low45.8Very low225 Ų225164.4 Ų164.4100%1.10882%0.819SS**  0160.80-78.2-176.471.600108.9
2P61.7Low45.6Very low119 Ų119168.1 Ų168.177%0.77383%0.826SS**  cis-127.8-178.31.527.2-4.3000115.9
3K45Very low45Very low199 Ų199163.4 Ų163.487%0.86582%0.82SS**  trans-68.4159.3-178-57.2153.6174.3175.80115
4G41Very low44.6Very low69 Ų69158.1 Ų158.171%0.71182%0.815SS**  trans116.315615000000116.9
5F42.1Very low44.1Very low196 Ų196159.2 Ų159.286%0.8681%0.814SS**  cis-158.9125.7-9.2-144.3-97.2000112.3
6L46.9Very low43.7Very low135 Ų135157.1 Ų157.171%0.70781%0.811SS**  trans43.4116.1147.7-149.2147.6000121.5
7V50.2Low43.4Very low124 Ų124153.5 Ų153.575%0.75280%0.803SS**  trans-73.5123.5170.5174.40000111.9
8K47.5Very low42.8Very low177 Ų177156.6 Ų156.677%0.7780%0.804SS**  trans-106.285.7-179.1-164.7169-173.6173.10113.4
9R44.6Very low42.5Very low224 Ų224161.2 Ų161.285%0.84581%0.81SS**  trans-90.6107.6164-79.5-173.1170.9112.4-3.2110K11R9-K11 PolarHBondContact O-N 3.39Å
10N39.5Very low42.2Very low140 Ų140159.7 Ų159.775%0.74981%0.81SS**  trans-71.999173.9-80.46.5000110.8K12N10-K12 PolarHBondContact O-N 2.81Å
11K43.9Very low42Very low200 Ų200162.6 Ų162.687%0.8781%0.811SS**  trans-73.8110.5168.2179.1-177.9178.5-177.30109.1R9R9-K11 PolarHBondContact O-N 3.39Å
12K43.3Very low41.6Very low209 Ų209156.6 Ų156.691%0.90979%0.791SS**PPolyproline II helixtrans-103.6119.1167.9-154.9170.7-173.2-179.60108.6N10N10-K12 PolarHBondContact O-N 2.81Å
13S38.4Very low40.6Very low107 Ų107157.8 Ų157.875%0.74879%0.791SS**PPolyproline II helixtrans-83.6122-170.645.40000112.4
14A38.6Very low40.4Very low90 Ų90156.5 Ų156.574%0.74479%0.788SS**PPolyproline II helixtrans-84.6137.915900000109.3V16A14-V16 PolarHBondContact O-N 3.37Å
15H37.5Very low40.1Very low174 Ų174161.1 Ų161.181%0.80680%0.797SS**  trans-83104.6-176-175.7-89.2000110.9
16V37.8Very low39.9Very low125 Ų125159.3 Ų159.376%0.75880%0.796SS**  trans-96.498.3174.9-179.30000108.7A14 Y18A14-V16 PolarHBondContact O-N 3.37Å; V16-Y18 PolarHBondContact O-N 3.14Å
17S37.8Very low39.6Very low97 Ų97159.7 Ų159.768%0.67880%0.798SS**  trans-79.2105.7173.954.90000110.5
18Y34.2Very low38.9Very low208 Ų208162.8 Ų162.882%0.81680%0.804SS**PPolyproline II helixtrans-82.2148163.7-127.9-98000110V16V16-Y18 PolarHBondContact O-N 3.14Å
19R36.7Very low38.3Very low244 Ų244161.8 Ų161.892%0.92180%0.802SS**PPolyproline II helixtrans-94.1116.1163.2-81.7-177.2171.2172-3.8108.4
20T36.4Very low37.6Very low131 Ų131157.6 Ų157.680%0.80480%0.796SS**PPolyproline II helixtrans-93.8154.4169.1-230000109.4
21R36.8Very low37.1Very low221 Ų221159 Ų15983%0.83480%0.798SS**PPolyproline II helixtrans-74.2152.2162.6-82.4176.6153150.6-11.8109.6
22S34.8Very low36.6Very low100 Ų100155.8 Ų155.870%0.69980%0.795SS**PPolyproline II helixtrans-97.5122.6156.8-68.80000108
23D38.9Very low36.7Very low144 Ų144151.3 Ų151.377%0.7779%0.787SS**  trans-134.7111.7160.8-69.8-77.4000103.3
24E41.3Very low36.3Very low172 Ų172151.1 Ų151.180%0.80479%0.792SS**  trans-140.5102.9-177.157-164.490.800110.6
25D36Very low35.7Very low166 Ų166151.6 Ų151.689%0.88880%0.796SS**  trans-105.7128.8165.7-93.4-70.5000107.2
26D36.1Very low35.6Very low157 Ų157151.5 Ų151.584%0.8480%0.8SS**  trans-152.3142.1147.9-132.7-36.4000113.5
27L41.3Very low36.3Very low144 Ų144150.8 Ų150.875%0.75480%0.798SS**  trans-79.5156.3-158.2-64.2151.7000115
28Q34.8Very low35.8Very low189 Ų189153.2 Ų153.288%0.88381%0.809SS**  trans-157136.1132-153.967.872.300111.3
29E35.7Very low35.9Very low156 Ų156148.4 Ų148.473%0.72981%0.806SS**  trans-94.2154.5-176.5-60.9-169.3112.600114.5
30L30.1Very low36.7Very low136 Ų136142.6 Ų142.671%0.71280%0.8SS**  167.6156.1108.9-92164.4000115.5
31H30Very low36.5Very low170 Ų170142.2 Ų142.279%0.78779%0.793SS**  trans73.1100.8159.3-58.9127.5000122.4
32T31.6Very low36.2Very low131 Ų131141.9 Ų141.980%0.80479%0.792SS**  trans-83.1178.5137.251.90000110.1
33P45.6Very low36.1Very low115 Ų115141.3 Ų141.375%0.74779%0.793SS**  cis-143.4170.612.943.8-24.3000119.5
34A29.9Very low35.8Very low103 Ų103139.5 Ų139.585%0.85179%0.792SS**  trans45129142.900000124.1
35A27.5Very low35.4Very low101 Ų101137.7 Ų137.784%0.83579%0.792SS**  trans-149.5165.615200000110.9
36L33.9Very low35.4Very low171 Ų171135 Ų13590%0.89579%0.786SS**  trans-115.8-145.3-164.6-69.6164.4000113.8
37P53.8Low36.3Very low110 Ų110133.3 Ų133.371%0.71478%0.784SS**  -130.7-172.5-10142.9-26.4000115
38T27.5Very low36Very low148 Ų148133.2 Ų133.291%0.90878%0.784SS**  trans-169154.2140.98.90000115.7
39S34.4Very low35.8Very low108 Ų108134 Ų13476%0.75579%0.785SS**  trans-163.4176.6168.966.10000107.4
40P55.3Low35.8Very low121 Ų121132.3 Ų132.379%0.78679%0.785SS**  cis-117.3-131.811.325.42.1000111.6
41D31.1Very low36Very low124 Ų124130.6 Ų130.666%0.66379%0.791SS**  cis-162.9163.37.2-171.227.4000113.1
42R31.6Very low36.2Very low213 Ų213126.7 Ų126.780%0.80479%0.788SS**  trans60.9131.9166.4-77.8161.6171.4-155.9-9.3119
43A32Very low36.2Very low88 Ų88128.1 Ų128.173%0.72779%0.791SS**  78143.751.600000112.9
44S33.2Very low35.9Very low106 Ų106126.3 Ų126.374%0.74179%0.785SS**  cis-162.5-175.828.5-63.10000113.2
45V31.7Very low36.7Very low134 Ų134127.1 Ų127.181%0.81278%0.782SS**  trans92.7132.6154.3-167.40000120
46S36.7Very low37.7Very low110 Ų110128.4 Ų128.477%0.76978%0.779SS**  trans-129.1161.1158.8-48.60000108.9
47P54.8Low38.7Very low121 Ų121124.7 Ų124.779%0.78677%0.766SS**  -149.4171120.537.4-20.7000116.1
48D34.3Very low38Very low142 Ų142130.2 Ų130.276%0.75977%0.772SS**  trans-79.2167.8-175.7-49.5-105.5000116.4
49F31.9Very low38.4Very low205 Ų205130.1 Ų130.190%0.89977%0.765SS**  trans-162.889.7139.6-109.7-67.1000115.9
50V34.6Very low38.4Very low121 Ų121131.1 Ų131.173%0.73376%0.758SS**  trans36.8117.2135.1-169.50000124
51A34.8Very low37.4Very low100 Ų100133.6 Ų133.683%0.82676%0.756SS**  trans49.3163.9139.200000122.7
52A33.9Very low38.4Very low89 Ų89132.2 Ų132.274%0.73675%0.754SS**  cis-139-179.90.500000109.4
53D32.6Very low38.5Very low160 Ų160130.3 Ų130.386%0.85675%0.754SS**  cis-156.6-174.129.3-148.8-63.7000111.9
54A37.9Very low38.8Very low77 Ų77133.5 Ų133.564%0.63676%0.755SS**  trans-117.6-162.2-176.100000112.3
55P47.3Very low38.8Very low120 Ų120137.9 Ų137.978%0.77976%0.761SS**  cis-112.1165.24.412.714.3000114.6
56V48.9Very low38.7Very low128 Ų128134.8 Ų134.878%0.77676%0.755SS**  cis88.2135.938.21650000113.7
57P54.9Low38.9Very low94 Ų94137.1 Ų137.161%0.6176%0.759SS**  cis-152.6-171.3-24.144-23.3000118.9
58R39.8Very low38.7Very low225 Ų225136 Ų13685%0.84975%0.752SS**  trans74.5156.5143.8-85.4169.8-169.1168.23.1121.6
59L34.3Very low38.7Very low147 Ų147138 Ų13877%0.7776%0.756SS**  cis-152-176-6-165.855.3000112.1
60E34.8Very low38.9Very low129 Ų129132.6 Ų132.660%0.60375%0.75SS**  trans-101.9162.7-156.5-53.2167.885.300120.3
61K35.1Very low39Very low172 Ų172133.7 Ų133.775%0.74876%0.757SS**  71.1171.7129.6-83.2172.5-174.6160.80123.2
62P51.3Low38.8Very low96 Ų96134.7 Ų134.762%0.62376%0.756SS**  cis-144.7-168-39.743.2-25.1000116.6
63E33Very low38.8Very low172 Ų172139.9 Ų139.980%0.80477%0.765SS**  trans66.9170.1152.7-73.1168.9147.500121.9
64Q39.8Very low38.9Very low156 Ų156136.8 Ų136.873%0.72976%0.762SS**  -161.8162.8-60.6-154.7-173.5-0.800111.8
65F32.3Very low38.8Very low198 Ų198141.2 Ų141.287%0.86877%0.773SS**  trans77.3148.6154.4-117.9-85000121
66G29.9Very low38.1Very low68 Ų68145.8 Ų145.870%0.70178%0.776SS**  trans145136.8160.800000118.3
67N40.4Very low37.6Very low160 Ų160144.4 Ų144.486%0.85677%0.773SS**  trans-174.9176174.4-134.84.6000108.5
68P49.9Very low37.3Very low96 Ų96145.5 Ų145.562%0.62378%0.779SS**  cis-136.6-173.7-7.144.7-27.3000115.8
69E34.6Very low37.1Very low184 Ų184140.8 Ų140.886%0.8678%0.776SS**  trans56.4140.6154.7-74.7-166.3122.200124.1
70A36.4Very low37.4Very low92 Ų92143.8 Ų143.876%0.7678%0.777SS**  trans61.2104.6146.200000122.3
71V36.8Very low38.2Very low145 Ų145143.5 Ų143.588%0.87979%0.786SS**  trans-137.2138141.6179.40000109.2
72C31Very low38.1Very low120 Ų120142.1 Ų142.181%0.81179%0.786SS**  trans-101.6140.5174.6-54.70000111.4
73Q33.8Very low37.4Very low198 Ų198142.7 Ų142.793%0.92579%0.792SS**  trans-158.4152.1148.7-117.8166.114.700112.2
74A33.6Very low37.7Very low95 Ų95141.9 Ų141.979%0.78579%0.786SS**  trans-131.8136.7-17900000110.3
75I36.3Very low37.6Very low170 Ų170141.4 Ų141.487%0.87278%0.783SS**  trans-136.8147.8167.4-56.2-178.2000107.2
76Y33.5Very low37.8Very low216 Ų216141.2 Ų141.285%0.84779%0.785SS**  trans-138.3156.6-164.6-144.6-87.3000110.8
77S38.2Very low38.1Very low100 Ų100143.7 Ų143.770%0.69978%0.782SS**  trans77.5160.9171.6-35.60000115.8
78P48.7Very low38Very low116 Ų116146.8 Ų146.875%0.75378%0.782SS**  cis-107.6-153.92.427.7-5.1000111.5
79T35.8Very low37.2Very low127 Ų127145 Ų14578%0.77978%0.781SS**  cis-156.8-175.811.9-27.20000110.6
80R39.3Very low37.2Very low210 Ų210146.5 Ų146.579%0.79278%0.78SS**  trans-135.6161.8160.8-77.9-175.4170.2-175-2.9109.5I82R80-I82 HydrophobicContact CB-CG1 4.43Å
81P52.6Low37.1Very low122 Ų122150.6 Ų150.679%0.79278%0.781SS**  -126.9155.292.934.5-25.4000112
82I33.8Very low36.9Very low144 Ų144152.2 Ų152.274%0.73878%0.779SS**  cis89.1111.934.2-66.2176.1000114.2R80R80-I82 HydrophobicContact CB-CG1 4.43Å
83S35.3Very low37Very low108 Ų108157.8 Ų157.876%0.75578%0.783SS**  trans148.3136.1152.3-173.10000110.4
84K39.3Very low37.2Very low155 Ų155152.6 Ų152.667%0.67477%0.769SS**  cis-157.5158.2-15.3-116.1178.2168.8-76.30110.9
85E37.3Very low37.2Very low145 Ų145157.1 Ų157.168%0.67877%0.771SS**  trans3.1129.9161.4-62.3117.6-155.100122.3
86H38.1Very low37.2Very low195 Ų195155.7 Ų155.790%0.90377%0.765SS**  -148.8172.3103.7-147.8-99.9000111.5
87D35.8Very low37.6Very low120 Ų120153.3 Ų153.364%0.64277%0.766SS**  trans-124.9161.6-143.7-174.332.8000116.8
88R37.3Very low37.1Very low224 Ų224152.1 Ų152.185%0.84577%0.77SS**  trans67.1141169.2-71.8146.861.6165.40.5119.1
89G33.2Very low36.8Very low59 Ų59152.3 Ų152.361%0.60877%0.774SS**  cis159.8158.6-7.100000114
90Y34.7Very low38.1Very low215 Ų215151.9 Ų151.984%0.84377%0.773SS**  trans65.4146.9-176-64.8-92.2000115.3
91F34Very low37.7Very low178 Ų178148.3 Ų148.378%0.78178%0.775SS**  cis-143.8120.17-139.6-61.8000109.9
92E32.7Very low37Very low180 Ų180147.9 Ų147.984%0.84177%0.774SS**  trans-145.4134.4162.8-172.8171.8-15600109.3
93R34.5Very low37.2Very low236 Ų236145.5 Ų145.589%0.89178%0.776SS**  trans-148.7116.5167-161.6171.6-166162.26109.7
94S37Very low37.1Very low89 Ų89149.4 Ų149.462%0.62278%0.783SS**  trans-75.7157.5-170.4-41.80000113.6
95F34.7Very low37Very low191 Ų191147 Ų14784%0.83879%0.785SS**  trans2.4140.3148.1-68.3-96.7000119
96N35.2Very low37Very low140 Ų140150.1 Ų150.175%0.74980%0.797SS**  -165.7136.9101.9-100.1-62.3000114.4
97L42.9Very low37.4Very low165 Ų165146.7 Ų146.786%0.86479%0.792SS**  trans29.8127.5144.2-56169.9000121.5
98G28Very low37.3Very low75 Ų75145.6 Ų145.677%0.77380%0.799SS**  trans175.512116000000115
99S41Very low37.3Very low121 Ų121140 Ų14085%0.84680%0.801SS**  trans-178.8159.8172.3-83.50000110.3
100P63Low37.3Very low117 Ų117142.3 Ų142.376%0.7682%0.815SS**  cis-126.2-144.2-9.141.3-23.7000111.3
101V31.6Very low37.3Very low136 Ų136137.1 Ų137.182%0.82481%0.81SS**  trans76141.8171.71330000114.8
102S37.3Very low37.4Very low112 Ų112136.3 Ų136.378%0.78381%0.812SS**  cis-137.1179.41.3-128.30000111.8
103A38.3Very low37.6Very low95 Ų95133.1 Ų133.179%0.78581%0.81SS**  trans-123.5139.8176.300000112.7
104E33.9Very low37.6Very low190 Ų190124.9 Ų124.989%0.88880%0.798SS**  trans-151.9162.5174.7-62.8-171.9108.100108.5
105S37.4Very low37.5Very low103 Ų103128.5 Ų128.572%0.7281%0.81SS**  cis-170.9142.8-33.8-90.40000106.3
106F36.6Very low37.5Very low211 Ų211125.4 Ų125.493%0.92580%0.802SS**  trans-76.9141.6177.9-73.2-96.9000112
107P47.4Very low37.6Very low124 Ų124125.9 Ų125.981%0.80580%0.8SS**  trans-97.3125163.734-28.3000111.7
108A33.2Very low37.3Very low96 Ų96124.3 Ų124.379%0.79379%0.792SS**  trans-151.8134.2166.300000111.9
109A37.4Very low37.7Very low107 Ų107128.8 Ų128.888%0.88480%0.797SS**  trans57.9114165.800000119.7
110A33.6Very low37.4Very low108 Ų108133.3 Ų133.389%0.89380%0.797SS**  trans-129.2158144.900000108
111S34.5Very low36Very low105 Ų105131.1 Ų131.173%0.73479%0.788SS**  trans-142.9-167-15860.60000114.2
112L36Very low37Very low161 Ų161130.1 Ų130.184%0.84379%0.785SS**  trans82.6131.4-177.7-49.5176.6000113.7
113S36.8Very low36.7Very low114 Ų114130.9 Ų130.980%0.79778%0.784SS**  cis-151.6172.50.4-89.80000109.4
114G32.9Very low36.6Very low62 Ų62132.9 Ų132.964%0.63978%0.782SS**  cis137.4147.30.500000111.9
115L36.3Very low36.8Very low166 Ų166130.8 Ų130.887%0.86978%0.776SS**  trans69.7140.3-174.1-56.4171000114.3
116D33.7Very low36.8Very low126 Ų126134.2 Ų134.267%0.67478%0.778SS**  cis-158.1174.9-3.5-142.3-30000113.7
117H37Very low36.7Very low149 Ų149132 Ų13269%0.6977%0.774SS**  trans78.3118.7146.8-95.9-77000123.7
118L38.3Very low35.8Very low133 Ų133129.1 Ų129.170%0.69677%0.767SS**  trans91.296143.8-56.6-176.3000123.9
119L35.6Very low36.1Very low168 Ų168131.7 Ų131.788%0.8877%0.767SS**  71168.6123.3-64.3179.5000121.1
120Y33.7Very low36Very low217 Ų217131.8 Ų131.885%0.85175%0.753SS**  trans-145.6122.7-145.4174.4-96.3000113.2
121A33.9Very low36.2Very low70 Ų70137 Ų13758%0.57975%0.749SS**  trans69.3-179.8149.900000117.7
122P52.9Low36.1Very low115 Ų115138.6 Ų138.675%0.74775%0.754SS**  cis-139.5-173.9-49.431.4-11.3000115.9
123V31.5Very low35.9Very low128 Ų128134.8 Ų134.878%0.77675%0.746SS**  trans88.5144.1157.8-173.10000119.4
124D36.8Very low35.8Very low138 Ų138135.3 Ų135.374%0.73875%0.745SS**  trans-48.2152.8-178.7-57.7-114.5000118.8
125L37.9Very low35.8Very low146 Ų146142.2 Ų142.276%0.76476%0.757SS**  -171.7130.1116.8-124.866.9000116.8
126K37.1Very low35.6Very low175 Ų175145.6 Ų145.676%0.76176%0.758SS**  trans68.9158.1132.7-103.3173.1-172.6162.70124.5
127I34.9Very low36.3Very low164 Ų164145 Ų14584%0.84176%0.761SS**  trans76.7142160.3-59.8142.5000116.7
128G29Very low36.1Very low63 Ų63142.7 Ų142.765%0.64977%0.768SS**  cis145.9141.6-1500000116.3
129N37.8Very low35.8Very low151 Ų151140.4 Ų140.481%0.80777%0.768SS**  trans73.9158170.3-102.7-15.4000117.4
130N35.8Very low35.4Very low108 Ų108141.6 Ų141.658%0.57877%0.77SS**  cis-160.6163.114.3-139.5-32.2000115.3
131R37Very low35.3Very low217 Ų217134.3 Ų134.382%0.81976%0.76SS**  trans70.8152.8157-66169.6-171.6-169.3-0.5118.7
132V32.9Very low35.3Very low139 Ų139135.4 Ų135.484%0.84277%0.769SS**  cis-146.1177.12.998.40000113.1
133A32.6Very low34.5Very low81 Ų81136.6 Ų136.667%0.66977%0.765SS**  trans-81.4177.8-176.500000114
134T34.5Very low34.8Very low125 Ų125140.5 Ų140.577%0.76777%0.766SS**  cis-161.1147.449.751.20000118
135K32.5Very low34.7Very low208 Ų208143.3 Ų143.390%0.90477%0.771SS**  trans68.2111.2143.2-74.4-174.2175.2-1780124.1
136R32.7Very low35.1Very low237 Ų237141.2 Ų141.289%0.89477%0.767SS**  trans-62.8-175.7144.6-92.7177.9177.7176.5-1.7113
137P48.1Very low35.1Very low113 Ų113142.5 Ų142.573%0.73477%0.772SS**  cis-132.5159.818.819.68.6000117.1
138A32.7Very low34.8Very low101 Ų101139.1 Ų139.184%0.83577%0.769SS**  72159.789.200000115.6
139A31.2Very low35.2Very low85 Ų85141 Ų14170%0.70278%0.778SS**  cis-155.3153.66.500000111.3
140E28.6Very low35.4Very low193 Ų193138.7 Ų138.790%0.90277%0.774SS**  84154.9106.9-86.1-62.4155.100120.2
141G31.1Very low36Very low63 Ų63143 Ų14365%0.64979%0.788SS**  trans101104.5177.700000114.5
142A34.6Very low36.7Very low94 Ų94142.5 Ų142.578%0.77779%0.791SS**  75.912753.200000113.1
143E34.7Very low37.5Very low140 Ų140141.8 Ų141.865%0.65479%0.789SS**  -176.316476.1-108.4-85.761.900114.5
144R37.8Very low38.4Very low210 Ų210147.8 Ų147.879%0.79280%0.8SS**  trans80.8147.5153.6-72.2152.8-154-1655.9125.4
145K34.4Very low38.5Very low196 Ų196146.5 Ų146.585%0.85280%0.802SS**  trans-125.9-172.7174.1-93.7-179.9177.3172.10107.3
146P47.6Very low39.2Very low103 Ų103143.3 Ų143.367%0.66979%0.793SS**  cis-149.1-172.116.347.2-27.3000118.6
147K35.9Very low39.5Very low201 Ų201143.7 Ų143.787%0.87480%0.795SS**  trans68.2153.2157.4-73.8174-175.6179.30117.3
148A29.6Very low39.3Very low94 Ų94146.2 Ų146.278%0.77779%0.794SS**  cis-164.3-168-14.300000110.9
149A37.4Very low39.8Very low101 Ų101148.3 Ų148.384%0.83579%0.791SS**  trans87114.2160.400000121
150S42.6Very low40.3Very low103 Ų103151 Ų15172%0.7279%0.793SS**  trans-48.7142.6167.452.90000118.7
151K48.3Very low41Very low200 Ų200149 Ų14987%0.8778%0.782SS**  176134.5114.9-92.5157.2-174.4177.10110.7
152K50.2Low41.7Very low206 Ų206154.1 Ų154.190%0.89679%0.789SS**  trans-127.9117.9171.7-72-175.3-179.8179.70110.4
153P51.5Low42.1Very low124 Ų124155.3 Ų155.381%0.80578%0.782SS**  trans-73.5159.3163.331.9-32.9000110.7A155P153-A155 PolarHBondContact O-N 3.09Å
154K49.8Very low42.6Very low207 Ų207156.9 Ų156.990%0.979%0.789SS**  trans-81.996.8-175.8-70.3165.5178.4172.10111I156K154-I156 PolarHBondContact O-N 3.5Å
155A36.7Very low42.6Very low97 Ų97152.2 Ų152.280%0.80278%0.784SS**  trans-72.1107.8165.200000109.4P153 R157P153-A155 PolarHBondContact O-N 3.09Å; A155-R157 PolarHBondContact O-N 3.26Å; A155-R157 VanDerWaalsContact O-N 3.13Å
156I46.8Very low43.3Very low141 Ų141149.4 Ų149.472%0.72378%0.783SS**  trans-68.7109.1173.6-57.4172.4000107.3K154 K158K154-I156 PolarHBondContact O-N 3.5Å; I156-K158 HydrophobicContact CG2-CG 4.02Å; I156-K158 PolarHBondContact O-N 3.3Å
157R39.2Very low43.3Very low246 Ų246149.6 Ų149.693%0.92878%0.783SS**  trans-68.980.9167-92.9-177.3158.6152.4-6.1109A155 L159A155-R157 PolarHBondContact O-N 3.26Å; A155-R157 VanDerWaalsContact O-N 3.13Å; R157-L159 PolarHBondContact O-N 3.4Å
158K44.7Very low43.4Very low166 Ų166144.2 Ų144.272%0.72277%0.771SS**  trans-62.2115.5161.3-70-177.8176.8-178.60106.8I156 N160I156-K158 HydrophobicContact CG2-CG 4.02Å; I156-K158 PolarHBondContact O-N 3.3Å; K158-N160 PolarHBondContact O-N 3.05Å
159L42.4Very low44.4Very low144 Ų144145.7 Ų145.775%0.75477%0.772SS**  trans-38.3127.8161.742.3151.6000110.8R157 F161R157-L159 PolarHBondContact O-N 3.4Å; L159-F161 PolarHBondContact O-N 3.44Å
160N42Very low45Very low141 Ų141145.5 Ų145.575%0.75476%0.76SS**  trans-71.885.9164.6-80.28.1000107.8K158 E162K158-N160 PolarHBondContact O-N 3.05Å; N160-E162 HydrophobicContact CB-CG 4.39Å; N160-E162 PolarHBondContact O-N 3.35Å
161F44.8Very low45.5Very low151 Ų151147.2 Ų147.266%0.66276%0.761SS**  trans-84.179.3158.3-160.6-94.6000106.3L159 D163L159-F161 PolarHBondContact O-N 3.44Å; F161-D163 VanDerWaalsContact CE1-OD1 3.32Å; F161-D163 WeakPolarHBondContact CE1-OD1 3.29Å; F161-D163 PolarHBondContact O-N 3.09Å; F161-D163 VanDerWaalsContact O-N 3.1Å
162E45.8Very low45.5Very low172 Ų172140.1 Ų140.180%0.80474%0.744SS**  trans-72.998.4169.6-70.4-178129.700106.5N160 E164N160-E162 HydrophobicContact CB-CG 4.39Å; N160-E162 PolarHBondContact O-N 3.35Å; E162-E164 PolarHBondContact O-N 3.47Å
163D41.3Very low45.7Very low118 Ų118135.1 Ų135.163%0.63173%0.727SS**  trans-48.3134.2-172.6-89.9-67.9000112.5F161 V165F161-D163 VanDerWaalsContact CE1-OD1 3.32Å; F161-D163 WeakPolarHBondContact CE1-OD1 3.29Å; F161-D163 PolarHBondContact O-N 3.09Å; F161-D163 VanDerWaalsContact O-N 3.1Å; D163-V165 VanDerWaalsContact C-N 3.31Å; D163-V165 PolarHBondContact O-N 3.12Å
164E45Very low45.6Very low173 Ų173138.3 Ų138.381%0.80873%0.728SS**  trans-60.398.2160-75.7-16895.200108.4E162 T166E162-E164 PolarHBondContact O-N 3.47Å; E164-T166 PolarHBondContact O-N 3.46Å
165V39Very low45.7Very low113 Ų113135.1 Ų135.169%0.68572%0.719SS**  trans-65.990.7174.2-177.70000108.3D163 T167D163-V165 VanDerWaalsContact C-N 3.31Å; D163-V165 PolarHBondContact O-N 3.12Å; V165-T167 HydrophobicContact CG1-CG2 3.73Å; V165-T167 PolarHBondContact O-N 3.21Å
166T48Very low46.6Very low136 Ų136140 Ų14083%0.83472%0.723SS**  trans-73.343.5-177.835.80000112.3E164E164-T166 PolarHBondContact O-N 3.46Å
167T47.8Very low46.5Very low108 Ų108141.8 Ų141.866%0.66373%0.728SS**  trans-88.7106.8172.355.10000110.3V165V165-T167 HydrophobicContact CG1-CG2 3.73Å; V165-T167 PolarHBondContact O-N 3.21Å
168S39.3Very low47.2Very low87 Ų87132.8 Ų132.861%0.60871%0.711SS**  trans-48.7130.9173-179.50000112.2V170S168-V170 PolarHBondContact O-N 3.35Å; S168-V170 VanDerWaalsContact OG-CG2 3.24Å; S168-V170 WeakPolarHBondContact OG-CG2 3.49Å
169P49.3Very low47.6Very low125 Ų125131.4 Ų131.481%0.81272%0.719SS**G310 helixtrans-644.8-178.9-24.834.9000116.6L171P169-L171 PolarHBondContact O-N 3.34Å
170V50.2Low48.2Very low97 Ų97130 Ų13059%0.58872%0.717SS**G310 helixtrans-76.9-10.8-159.8169.40000115S168S168-V170 PolarHBondContact O-N 3.35Å; S168-V170 VanDerWaalsContact OG-CG2 3.24Å; S168-V170 WeakPolarHBondContact OG-CG2 3.49Å
171L53.2Low48Very low140 Ų140132.3 Ų132.373%0.73372%0.723SS**G310 helixtrans-124.2-4179.9-68.8177000115.9P169 L173P169-L171 PolarHBondContact O-N 3.34Å; L171-L173 HydrophobicContact CB-CD1 4.37Å; L171-L173 HydrophobicContact CB-CG 4.39Å; L171-L173 PolarHBondContact O-N 3.3Å
172G48.2Very low47.9Very low50 Ų50133 Ų13352%0.51573%0.73SS.*  trans64.23.1175.700000116.7K174G172-K174 PolarHBondContact O-N 3.43Å
173L54.6Low47.3Very low101 Ų101134.7 Ų134.753%0.52974%0.735SS.*  trans-74.185.3-179.8-66.6172.6000111.1L171 L213L171-L173 HydrophobicContact CB-CD1 4.37Å; L171-L173 HydrophobicContact CB-CG 4.39Å; L171-L173 PolarHBondContact O-N 3.3Å; L173-L213 HydrophobicContact CD2-CD2 3.98Å; L173-L213 HydrophobicContact CD2-CG 4.32Å
174K49.7Very low47.9Very low191 Ų191134.9 Ų134.983%0.8374%0.742SS**  trans-103.591.7168.5-172.7161.9-174.7165.30110.6G172G172-K174 PolarHBondContact O-N 3.43Å
175I52.5Low47.5Very low141 Ų141138.4 Ų138.472%0.72375%0.748SS**  trans-64.7133.1167.8-58.1175.2000107.7E177I175-E177 HydrophobicContact CG2-CG 4.29Å
176K55.2Low47.2Very low200 Ų200137.3 Ų137.387%0.8775%0.751SS**  trans-102.293177.3-173.3-179.6-179.7-176.60108.5
177E45.1Very low47.1Very low178 Ų178139.8 Ų139.883%0.83275%0.753SS**PPolyproline II helixtrans-67.6136.3-178.6-60-164.5166.300111.8I175I175-E177 HydrophobicContact CG2-CG 4.29Å
178G52.5Low46.6Very low56 Ų56139.8 Ų139.858%0.57776%0.757SS**PPolyproline II helixtrans-101.7155.6165.300000110
179P53.8Low46.8Very low138 Ų138141.2 Ų141.290%0.89677%0.767SS**PPolyproline II helixtrans-66.8145.5-171.527.2-34.9000113.1
180V53.9Low46.5Very low115 Ų115139.4 Ų139.470%0.69777%0.772SS**PPolyproline II helixtrans-86.7133.8-178.5179.50000111.1M182V180-M182 HydrophobicContact CG1-CG 3.98Å
181E38.9Very low46Very low189 Ų189138.1 Ų138.188%0.88378%0.778SS**  trans-127135.8160.3-95.5-73.6114.800107.8
182M43.1Very low45.5Very low166 Ų166138.3 Ų138.382%0.81879%0.785SS**  trans-118.5126.6-173.4-80.3-164.4175.300113.3V180V180-M182 HydrophobicContact CG1-CG 3.98Å
183K32.6Very low45.7Very low207 Ų207144.9 Ų144.990%0.980%0.8SS**  trans-155.1143.8150.8-140.3154-176.2172.60111.9
184P55Low45.5Very low121 Ų121146.1 Ų146.179%0.78681%0.813SS**  trans-107.7164.1-165.139.4-35.6000116.4
185R35.1Very low45.7Very low247 Ų247144.4 Ų144.493%0.93281%0.813SS**  trans112.2150.4145.6-159.2171.5-172.11763.9117.7
186A32.8Very low46Very low90 Ų90140.3 Ų140.374%0.74481%0.806SS**  trans89.8132.5174.500000116.3
187Q46.7Very low46.7Very low188 Ų188138.3 Ų138.388%0.87980%0.799SS**  trans-86.4144.2177.1-5798.4-51.300111.6
188S37.9Very low48.2Very low108 Ų108133 Ų13376%0.75577%0.773SS**  -176.7146.2112.3-162.30000112.5
189S42.4Very low49.6Very low117 Ų117132.7 Ų132.782%0.81876%0.76SS**  trans7.4133.5154.1-52.20000121.6
190G43.9Very low50.9Low87 Ų87126.9 Ų126.990%0.89772%0.723SS**  trans95.891.8150.600000115.9
191G39.8Very low51.7Low70 Ų70128.4 Ų128.472%0.72272%0.722SS**  trans163.554.1175.700000115.6K193G191-K193 VanDerWaalsContact C-N 3.26Å; G191-K193 PolarHBondContact O-N 3.31Å
192T42.2Very low53.4Low144 Ų144123.6 Ų123.688%0.88370%0.702SS**  trans-68.780.7173.349.20000111.1P194T192-P194 WeakPolarHBondContact O-CD 3.28Å
193K52.2Low54.9Low189 Ų189116.8 Ų116.882%0.82267%0.671SS**  trans-68.1115.6162.5-67.5178.5179.7177.20107.4G191 L195G191-K193 VanDerWaalsContact C-N 3.26Å; G191-K193 PolarHBondContact O-N 3.31Å; K193-L195 PolarHBondContact O-N 3.47Å
194P51.1Low57.1Low126 Ų126115 Ų11582%0.81866%0.663SS**  trans-68.6109.5-178.327-33000109.9T192 G196T192-P194 WeakPolarHBondContact O-CD 3.28Å; P194-G196 PolarHBondContact O-N 3.11Å; P194-G196 VanDerWaalsContact O-N 3.11Å
195L52.9Low58.3Low155 Ų155113.6 Ų113.681%0.81265%0.646SS**  trans-73.297.6169.6-81166000108.8K193K193-L195 PolarHBondContact O-N 3.47Å
196G58.7Low60.6Low56 Ų56104.9 Ų104.958%0.57763%0.627SS**SBendtrans51.294.9162.800000115.9P194 F198P194-G196 PolarHBondContact O-N 3.11Å; P194-G196 VanDerWaalsContact O-N 3.11Å; G196-F198 PolarHBondContact O-N 3.37Å
197E69.3Low63Low157 Ų157102.7 Ų102.773%0.73460%0.6SS**  trans-29.7118.1173.6-61.9166.7-164.800113.4V199E197-V199 HydrophobicContact CB-CG2 3.75Å; E197-V199 PolarHBondContact O-N 3.28Å
198F78.4Confident64.7Low66 Ų6697.9 Ų97.929%0.28959%0.592SS.*EExtended strand (participates in β ladder)trans-79.270.1-178.4-61.9-75.6000110.4G196 Y207 A208 P210 L213G196-F198 PolarHBondContact O-N 3.37Å; F198-Y207 WeakPolarHBondContact CB-O 3.45Å; F198-Y207 PolarHBondContact N-O 3.48Å; F198-Y207 WeakPolarHBondContact O-CD2 2.99Å; F198-Y207 PolarHBondContact O-N 3.1Å; F198-A208 WeakPolarHBondContact CD2-O 3.27Å; F198-P210 HydrophobicContact CD1-CB 3.76Å; F198-P210 HydrophobicContact CD1-CG 4.49Å; F198-P210 HydrophobicContact CE1-CB 3.69Å; F198-P210 HydrophobicContact CE1-CG 4.07Å; F198-P210 HydrophobicContact CE2-CG 4.47Å; F198-P210 HydrophobicContact CG-CB 4.31Å; F198-P210 HydrophobicContact CZ-CB 4.19Å; F198-P210 HydrophobicContact CZ-CG 4.06Å; F198-L213 HydrophobicContact CB-CB 4.17Å; F198-L213 HydrophobicContact CB-CD2 3.95Å
199V80.8Confident66.9Low51 Ų5197.4 Ų97.431%0.30958%0.581SS.*EExtended strand (participates in β ladder)trans-82.2125.5-175.8-173.30000111.4E197 Q201 K204 E205 A206E197-V199 HydrophobicContact CB-CG2 3.75Å; E197-V199 PolarHBondContact O-N 3.28Å; V199-Q201 PolarHBondContact O-N 2.86Å; V199-K204 HydrophobicContact CG1-CB 4.44Å; V199-E205 WeakPolarHBondContact CA-O 3.33Å; V199-A206 HydrophobicContact CG2-CB 3.95Å
200C81.1Confident68.8Low16 Ų1695.2 Ų95.211%0.10856%0.564CS.*  trans-72.5116.9168.5178.50000109.7L202 C203 K204 E205 Y207 L213C200-L202 PolarHBondContact O-N 2.97Å; C200-C203 WeakPolarHBondContact CB-SG 3.33Å; C200-K204 WeakPolarHBondContact O-CA 3.24Å; C200-K204 PolarHBondContact O-N 3.37Å; C200-E205 PolarHBondContact N-O 3.2Å; C200-Y207 HydrophobicContact CB-CE2 3.97Å; C200-L213 HydrophobicContact CB-CD1 3.53Å
201Q71.8Confident70.5Confident146 Ų14698.5 Ų98.568%0.68255%0.553SS**THydrogen-bonded Turntrans-60.4-14.9-175.5-60.8-178.522.400114.6V199V199-Q201 PolarHBondContact O-N 2.86Å
202L72.9Confident72.5Confident89 Ų8997 Ų9747%0.46653%0.532SS..THydrogen-bonded Turntrans-94.8-47.1-174.6-60.2177.9000113.4C200 R220 I221C200-L202 PolarHBondContact O-N 2.97Å; L202-R220 HydrophobicContact CB-CB 4.47Å; L202-R220 WeakPolarHBondContact O-CD 3.35Å; L202-I221 HydrophobicContact CD1-CD1 3.85Å; L202-I221 HydrophobicContact CD1-CG1 3.47Å; L202-I221 VanDerWaalsContact CD1-CG1 3.47Å
203C74.9Confident74.5Confident23 Ų2391.5 Ų91.516%0.15550%0.497CS..THydrogen-bonded Turntrans-89.4-22.3171.951.70000113.2C200 E205 H216 C218C200-C203 WeakPolarHBondContact CB-SG 3.33Å; C203-E205 HydrophobicContact CB-CG 4.1Å; C203-E205 WeakPolarHBondContact CB-OE1 3.45Å; C203-E205 PolarHBondContact O-N 3.3Å; C203-H216 PolarHBondContact SG-NE2 3.11Å; C203-C218 VanDerWaalsContact CB-SG 3.59Å; C203-C218 PolarHBondContact N-SG 3.24Å
204K78.8Confident75.7Confident169 Ų16985.6 Ų85.674%0.73548%0.484SS*.  trans63.718.5-168.5-54.2-172.7179.4-174.20114.8V199 C200V199-K204 HydrophobicContact CG1-CB 4.44Å; C200-K204 WeakPolarHBondContact O-CA 3.24Å; C200-K204 PolarHBondContact O-N 3.37Å
205E80.6Confident77Confident91 Ų9186.1 Ų86.143%0.42548%0.475SS..  trans-71.1134166.6-68.2164.9-13000109.7V199 C200 C203 Y207 H216V199-E205 WeakPolarHBondContact CA-O 3.33Å; C200-E205 PolarHBondContact N-O 3.2Å; C203-E205 HydrophobicContact CB-CG 4.1Å; C203-E205 WeakPolarHBondContact CB-OE1 3.45Å; C203-E205 PolarHBondContact O-N 3.3Å; E205-Y207 HydrophobicContact CB-CE1 4.34Å; E205-Y207 HydrophobicContact CB-CE2 4.09Å; E205-Y207 WeakPolarHBondContact CB-OH 3.41Å; E205-Y207 VanDerWaalsContact CD-OH 3.29Å; E205-Y207 PolarHBondContact OE2-OH 2.82Å; E205-H216 IonicContact OE2-CE1 3.03Å
206A83.3Confident78.3Confident64 Ų6481 Ų8153%0.52945%0.447SS..EExtended strand (participates in β ladder)trans-92.9134.217500000110.3V199V199-A206 HydrophobicContact CG2-CB 3.95Å
207Y82.6Confident78.9Confident45 Ų4587.7 Ų87.718%0.17646%0.46CS..EExtended strand (participates in β ladder)trans-113.1152.2176.6-58.7-70000111.9F198 C200 E205 S212 L213 H216F198-Y207 WeakPolarHBondContact CB-O 3.45Å; F198-Y207 PolarHBondContact N-O 3.48Å; F198-Y207 WeakPolarHBondContact O-CD2 2.99Å; F198-Y207 PolarHBondContact O-N 3.1Å; C200-Y207 HydrophobicContact CB-CE2 3.97Å; E205-Y207 HydrophobicContact CB-CE1 4.34Å; E205-Y207 HydrophobicContact CB-CE2 4.09Å; E205-Y207 WeakPolarHBondContact CB-OH 3.41Å; E205-Y207 VanDerWaalsContact CD-OH 3.29Å; E205-Y207 PolarHBondContact OE2-OH 2.82Å; Y207-S212 WeakPolarHBondContact CB-OG 3.46Å; Y207-L213 HydrophobicContact CD2-CB 3.88Å; Y207-L213 HydrophobicContact CD2-CD1 3.81Å; Y207-L213 HydrophobicContact CD2-CG 4.44Å; Y207-L213 HydrophobicContact CE2-CD1 4.05Å; Y207-L213 HydrophobicContact CG-CB 4.43Å; Y207-H216 HydrophobicContact CE2-CB 4.04Å; Y207-H216 AromaticContact CE2-CG 3.89Å; Y207-H216 AromaticContact CZ-CG 3.69Å; Y207-H216 AromaticContact CZ-ND1 3.63Å; Y207-H216 PolarHBondContact OH-CE1 2.97Å; Y207-H216 VanDerWaalsContact OH-CG 3.28Å; Y207-H216 PolarHBondContact OH-ND1 3.47Å; Y207-H216 PolarHBondContact OH-NE2 2.81Å
208A83.2Confident79.2Confident86 Ų8680.3 Ų80.371%0.71143%0.426SS*.SBendtrans-71.4-38.7177.400000112.1F198F198-A208 WeakPolarHBondContact CD2-O 3.27Å
209D84.1Confident78.5Confident99 Ų9980.9 Ų80.953%0.52944%0.438SS..SBendtrans-119.8143.2-175.2-67.2-64.3000112.8F211 S212 L213D209-F211 PolarHBondContact O-N 3.18Å; D209-S212 PolarHBondContact N-OG 3.32Å; D209-S212 PolarHBondContact O-N 2.82Å; D209-S212 PolarHBondContact O-OG 3.39Å; D209-L213 PolarHBondContact O-N 2.84Å; D209-L213 VanDerWaalsContact O-N 3.09Å
210P81.7Confident77.4Confident70 Ų7086.7 Ų86.746%0.45546%0.455SS..Hα-helixtrans-62.4-27.7173.725.4-31.9000112.3F198 A214F198-P210 HydrophobicContact CD1-CB 3.76Å; F198-P210 HydrophobicContact CD1-CG 4.49Å; F198-P210 HydrophobicContact CE1-CB 3.69Å; F198-P210 HydrophobicContact CE1-CG 4.07Å; F198-P210 HydrophobicContact CE2-CG 4.47Å; F198-P210 HydrophobicContact CG-CB 4.31Å; F198-P210 HydrophobicContact CZ-CB 4.19Å; F198-P210 HydrophobicContact CZ-CG 4.06Å; P210-A214 WeakPolarHBondContact O-CB 3.27Å; P210-A214 PolarHBondContact O-N 3.13Å
211F81Confident76.5Confident156 Ų15688.8 Ų88.868%0.68446%0.464SS*.Hα-helixtrans-68.2-40.7174.1-169.6-93.3000111.9D209 A214 Q215D209-F211 PolarHBondContact O-N 3.18Å; F211-A214 PolarHBondContact O-N 3.09Å; F211-A214 VanDerWaalsContact O-N 3.16Å; F211-Q215 WeakPolarHBondContact O-CB 3.32Å; F211-Q215 PolarHBondContact O-N 3.39Å
212S81.1Confident75.6Confident40 Ų4086.7 Ų86.728%0.2846%0.461SS..Hα-helixtrans-67.6-35.4175.963.60000112.4Y207 D209 Q215 H216Y207-S212 WeakPolarHBondContact CB-OG 3.46Å; D209-S212 PolarHBondContact N-OG 3.32Å; D209-S212 PolarHBondContact O-N 2.82Å; D209-S212 PolarHBondContact O-OG 3.39Å; S212-Q215 PolarHBondContact O-N 2.9Å; S212-H216 PolarHBondContact O-N 3.11Å; S212-H216 VanDerWaalsContact O-N 3.09Å
213L84.4Confident74.6Confident28 Ų2893.4 Ų93.415%0.14748%0.48CS..Hα-helixtrans-62.7-42.2167.4172.161.6000112.1L173 F198 C200 Y207 D209 Q215 H216L173-L213 HydrophobicContact CD2-CD2 3.98Å; L173-L213 HydrophobicContact CD2-CG 4.32Å; F198-L213 HydrophobicContact CB-CB 4.17Å; F198-L213 HydrophobicContact CB-CD2 3.95Å; C200-L213 HydrophobicContact CB-CD1 3.53Å; Y207-L213 HydrophobicContact CD2-CB 3.88Å; Y207-L213 HydrophobicContact CD2-CD1 3.81Å; Y207-L213 HydrophobicContact CD2-CG 4.44Å; Y207-L213 HydrophobicContact CE2-CD1 4.05Å; Y207-L213 HydrophobicContact CG-CB 4.43Å; D209-L213 PolarHBondContact O-N 2.84Å; D209-L213 VanDerWaalsContact O-N 3.09Å; L213-Q215 VanDerWaalsContact C-N 3.33Å; L213-Q215 PolarHBondContact O-N 2.83Å; L213-H216 WeakPolarHBondContact O-CB 3.39Å; L213-H216 PolarHBondContact O-N 2.98Å
214A77.2Confident74Confident65 Ų6595.9 Ų95.954%0.53750%0.495SS..Hα-helixtrans-68.5-29.7178.600000113.3P210 F211P210-A214 WeakPolarHBondContact O-CB 3.27Å; P210-A214 PolarHBondContact O-N 3.13Å; F211-A214 PolarHBondContact O-N 3.09Å; F211-A214 VanDerWaalsContact O-N 3.16Å
215Q77.9Confident73.5Confident137 Ų13792.9 Ų92.964%0.6448%0.483SS*.Hα-helixtrans-81.8-15.5174.9-168.7170.7-2.700113F211 S212 L213 K217F211-Q215 WeakPolarHBondContact O-CB 3.32Å; F211-Q215 PolarHBondContact O-N 3.39Å; S212-Q215 PolarHBondContact O-N 2.9Å; L213-Q215 VanDerWaalsContact C-N 3.33Å; L213-Q215 PolarHBondContact O-N 2.83Å; Q215-K217 PolarHBondContact O-N 3.02Å
216H80.5Confident73Confident48 Ų4891.7 Ų91.722%0.22248%0.475CS..  trans-67.3111.4-176.7173.971.3000113C203 E205 Y207 S212 L213 C218C203-H216 PolarHBondContact SG-NE2 3.11Å; E205-H216 IonicContact OE2-CE1 3.03Å; Y207-H216 HydrophobicContact CE2-CB 4.04Å; Y207-H216 AromaticContact CE2-CG 3.89Å; Y207-H216 AromaticContact CZ-CG 3.69Å; Y207-H216 AromaticContact CZ-ND1 3.63Å; Y207-H216 PolarHBondContact OH-CE1 2.97Å; Y207-H216 VanDerWaalsContact OH-CG 3.28Å; Y207-H216 PolarHBondContact OH-ND1 3.47Å; Y207-H216 PolarHBondContact OH-NE2 2.81Å; S212-H216 PolarHBondContact O-N 3.11Å; S212-H216 VanDerWaalsContact O-N 3.09Å; L213-H216 WeakPolarHBondContact O-CB 3.39Å; L213-H216 PolarHBondContact O-N 2.98Å; H216-C218 WeakPolarHBondContact NE2-CA 3.37Å; H216-C218 VanDerWaalsContact NE2-CB 3.29Å; H216-C218 WeakPolarHBondContact NE2-CB 3.24Å; H216-C218 PolarHBondContact O-N 3.02Å; H216-C218 VanDerWaalsContact O-N 3.16Å
217K70.8Confident72.8Confident196 Ų19695.8 Ų95.885%0.85248%0.477SS*.  trans-83.286.4171.8-67.3176.2-177.5172.10110Q215 S219Q215-K217 PolarHBondContact O-N 3.02Å; K217-S219 PolarHBondContact O-N 3.45Å
218C75.2Confident72.8Confident1 Ų193.9 Ų93.91%0.00747%0.47CS..  trans-58.7119.8-174.9-171.60000113.4C203 H216 R220 I221C203-C218 VanDerWaalsContact CB-SG 3.59Å; C203-C218 PolarHBondContact N-SG 3.24Å; H216-C218 WeakPolarHBondContact NE2-CA 3.37Å; H216-C218 VanDerWaalsContact NE2-CB 3.29Å; H216-C218 WeakPolarHBondContact NE2-CB 3.24Å; H216-C218 PolarHBondContact O-N 3.02Å; H216-C218 VanDerWaalsContact O-N 3.16Å; C218-R220 PolarHBondContact O-N 2.78Å; C218-R220 VanDerWaalsContact O-N 3.11Å; C218-I221 HydrophobicContact CB-CD1 3.81Å; C218-I221 HydrophobicContact CB-CG1 3.96Å; C218-I221 WeakPolarHBondContact O-CB 3.45Å; C218-I221 PolarHBondContact O-N 3.13Å
219S64.6Low72.7Confident79 Ų7994.5 Ų94.555%0.55247%0.467SS*.THydrogen-bonded Turntrans-57-26176.958.80000113.1K217 V222K217-S219 PolarHBondContact O-N 3.45Å; S219-V222 WeakPolarHBondContact O-CB 3.25Å; S219-V222 PolarHBondContact O-N 3Å
220R58.6Low72.5Confident173 Ų17393.7 Ų93.765%0.65346%0.46SS*.THydrogen-bonded Turntrans-74.2-22.6175.9-142.1173.4-163.8130.63.7113.5L202 C218 V222L202-R220 HydrophobicContact CB-CB 4.47Å; L202-R220 WeakPolarHBondContact O-CD 3.35Å; C218-R220 PolarHBondContact O-N 2.78Å; C218-R220 VanDerWaalsContact O-N 3.11Å; R220-V222 VanDerWaalsContact C-N 3.3Å
221I61Low72.5Confident60 Ų6091.6 Ų91.631%0.30845%0.447SS..G310 helixtrans-69-33.5168.1-59.1168.3000110L202 C218 R223 V224 Y226L202-I221 HydrophobicContact CD1-CD1 3.85Å; L202-I221 HydrophobicContact CD1-CG1 3.47Å; L202-I221 VanDerWaalsContact CD1-CG1 3.47Å; C218-I221 HydrophobicContact CB-CD1 3.81Å; C218-I221 HydrophobicContact CB-CG1 3.96Å; C218-I221 WeakPolarHBondContact O-CB 3.45Å; C218-I221 PolarHBondContact O-N 3.13Å; I221-R223 PolarHBondContact O-N 3.06Å; I221-V224 PolarHBondContact O-N 3.48Å; I221-Y226 HydrophobicContact CG2-CE2 4.37Å
222V54Low72.4Confident102 Ų10290.9 Ų90.962%0.61845%0.45SS*.G310 helixtrans-67-5.1-177.9-168.30000113S219 R220S219-V222 WeakPolarHBondContact O-CB 3.25Å; S219-V222 PolarHBondContact O-N 3Å; R220-V222 VanDerWaalsContact C-N 3.3Å
223R50.6Low72.2Confident229 Ų22994.6 Ų94.686%0.86446%0.461SS*.G310 helixtrans-119.910.9170.4-69.1-173.6177.1163.50.2114.6I221 E225I221-R223 PolarHBondContact O-N 3.06Å; R223-E225 PolarHBondContact O-N 2.98Å
224V63.2Low72.2Confident76 Ų7698 Ų9846%0.46148%0.478SS..  trans-89.188.5162.7-178.60000107.4I221 Y226I221-V224 PolarHBondContact O-N 3.48Å; V224-Y226 HydrophobicContact CB-CE2 4.41Å; V224-Y226 HydrophobicContact CG1-CD1 4.38Å; V224-Y226 HydrophobicContact CG1-CE1 3.95Å; V224-Y226 HydrophobicContact CG1-CE2 4.35Å; V224-Y226 WeakPolarHBondContact O-CD2 3.27Å; V224-Y226 WeakPolarHBondContact O-CE2 3.39Å; V224-Y226 PolarHBondContact O-N 3.36Å
225E68.9Low72.3Confident106 Ų10697 Ų9750%0.49546%0.461SS..  trans-62.8106.2173.5-63.8177.2153.100109.3R223 R227 M234R223-E225 PolarHBondContact O-N 2.98Å; E225-R227 VanDerWaalsContact C-N 3.27Å; E225-R227 PolarHBondContact O-N 3.33Å; E225-R227 IonicContact OE2-CZ 3.67Å; E225-R227 IonicContact OE2-NE 2.86Å; E225-R227 IonicContact OE2-NH2 3.56Å; E225-R227 PolarHBondContact OE2-NH2 2.87Å; E225-M234 HydrophobicContact CB-CB 4.33Å; E225-M234 HydrophobicContact CB-CG 4.2Å; E225-M234 HydrophobicContact CB-SD 4.3Å; E225-M234 VanDerWaalsContact CD-SD 3.53Å; E225-M234 HydrophobicContact CG-SD 4.39Å
226Y69.3Low72.3Confident66 Ų6694.5 Ų94.526%0.25946%0.459SS..EExtended strand (participates in β ladder)trans-74.583.1179.8-66.4-80.6000109.8I221 V224 F235 P238I221-Y226 HydrophobicContact CG2-CE2 4.37Å; V224-Y226 HydrophobicContact CB-CE2 4.41Å; V224-Y226 HydrophobicContact CG1-CD1 4.38Å; V224-Y226 HydrophobicContact CG1-CE1 3.95Å; V224-Y226 HydrophobicContact CG1-CE2 4.35Å; V224-Y226 WeakPolarHBondContact O-CD2 3.27Å; V224-Y226 WeakPolarHBondContact O-CE2 3.39Å; V224-Y226 PolarHBondContact O-N 3.36Å; Y226-F235 WeakPolarHBondContact CB-O 3.35Å; Y226-F235 WeakPolarHBondContact CD2-O 3.49Å; Y226-F235 PolarHBondContact N-O 3.5Å; Y226-F235 WeakPolarHBondContact O-CD2 3.18Å; Y226-F235 PolarHBondContact O-N 3.03Å; Y226-P238 HydrophobicContact CD1-CG 4.47Å; Y226-P238 HydrophobicContact CD2-CG 4.23Å; Y226-P238 HydrophobicContact CE1-CG 4.01Å; Y226-P238 HydrophobicContact CE2-CG 3.75Å
227R78.4Confident72Confident149 Ų14994.9 Ų94.956%0.56247%0.466SS*.EExtended strand (participates in β ladder)trans-65.6135.9173.7-71.7172.5-169.4-137.4-0.6109.9E225 M234E225-R227 VanDerWaalsContact C-N 3.27Å; E225-R227 PolarHBondContact O-N 3.33Å; E225-R227 IonicContact OE2-CZ 3.67Å; E225-R227 IonicContact OE2-NE 2.86Å; E225-R227 IonicContact OE2-NH2 3.56Å; E225-R227 PolarHBondContact OE2-NH2 2.87Å; R227-M234 HydrophobicContact CG-CG 3.5Å; R227-M234 HydrophobicContact CG-SD 4.4Å; R227-M234 PolarHBondContact NH2-SD 3.24Å
228C84.1Confident72.4Confident5 Ų588 Ų883%0.03444%0.441CS..EExtended strand (participates in β ladder)trans-80135.9171.6-175.50000109.9E230 C231 K233 F235 L241C228-E230 PolarHBondContact O-N 3.42Å; C228-C231 CarbonylContact C-O 3.55Å; C228-C231 VanDerWaalsContact CB-O 3.27Å; C228-C231 WeakPolarHBondContact CB-O 3.49Å; C228-C231 CarbonylContact O-C 3.56Å; C228-K233 PolarHBondContact N-O 2.88Å; C228-K233 VanDerWaalsContact N-O 3.08Å; C228-F235 HydrophobicContact CB-CE2 4.43Å; C228-L241 HydrophobicContact CB-CD1 3.52Å
229P79.6Confident72.4Confident100 Ų10091 Ų9165%0.64947%0.467SS*.THydrogen-bonded Turntrans-74.3-9.3176.831-36.2000113
230E81.1Confident73.2Confident81 Ų8191.4 Ų91.438%0.37946%0.463SS..THydrogen-bonded Turntrans-106.3-10.1-174.8-64.7149.1-110.900112C228 R245 H248C228-E230 PolarHBondContact O-N 3.42Å; E230-R245 IonicContact OE1-CZ 2.77Å; E230-R245 VanDerWaalsContact OE1-CZ 3.23Å; E230-R245 IonicContact OE1-NE 3.7Å; E230-R245 PolarHBondContact OE1-NE 3.1Å; E230-R245 IonicContact OE1-NH2 3.35Å; E230-R245 PolarHBondContact OE1-NH2 3.47Å; E230-H248 HydrophobicContact CB-CB 4.11Å; E230-H248 PolarHBondContact O-NE2 3.23Å; E230-H248 WeakPolarHBondContact OE2-CB 3.49Å; E230-H248 IonicContact OE2-CG 2.79Å
231C80.9Confident74.4Confident26 Ų2684.4 Ų84.418%0.17644%0.438CS..EExtended strand (participates in β ladder)trans-168.2154.8156.867.90000110.7C228 K233 H244 H248C228-C231 CarbonylContact C-O 3.55Å; C228-C231 VanDerWaalsContact CB-O 3.27Å; C228-C231 WeakPolarHBondContact CB-O 3.49Å; C228-C231 CarbonylContact O-C 3.56Å; C231-K233 PolarHBondContact O-N 2.86Å; C231-K233 WeakPolarHBondContact SG-CE 3.33Å; C231-K233 VanDerWaalsContact SG-CG 3.57Å; C231-H244 PolarHBondContact SG-NE2 2.86Å; C231-H244 VanDerWaalsContact SG-NE2 3.41Å; C231-H248 WeakPolarHBondContact CB-NE2 3.44Å; C231-H248 PolarHBondContact SG-NE2 2.95Å
232D78.3Confident75.3Confident141 Ų14184 Ų8475%0.75444%0.444SS*.EExtended strand (participates in β ladder)trans-69.221.6-170.7-51.2-85.3000116.7M234D232-M234 PolarHBondContact O-N 3.26Å
233K78.7Confident76.8Confident119 Ų11982.4 Ų82.452%0.51744%0.437SS..EExtended strand (participates in β ladder)trans-71.7127.7175.8-62.6-177.4-154.7-480110.1C228 C231 F235C228-K233 PolarHBondContact N-O 2.88Å; C228-K233 VanDerWaalsContact N-O 3.08Å; C231-K233 PolarHBondContact O-N 2.86Å; C231-K233 WeakPolarHBondContact SG-CE 3.33Å; C231-K233 VanDerWaalsContact SG-CG 3.57Å; K233-F235 HydrophobicContact CB-CE2 3.61Å; K233-F235 HydrophobicContact CB-CZ 3.84Å; K233-F235 WeakPolarHBondContact O-CD2 3.44Å; K233-F235 WeakPolarHBondContact O-CE2 3.5Å
234M83.8Confident78.5Confident100 Ų10072.9 Ų72.949%0.49340%0.402SS..EExtended strand (participates in β ladder)trans-96.9131.9-179.7-69.5171.5-69.700110.5E225 R227 D232E225-M234 HydrophobicContact CB-CB 4.33Å; E225-M234 HydrophobicContact CB-CG 4.2Å; E225-M234 HydrophobicContact CB-SD 4.3Å; E225-M234 VanDerWaalsContact CD-SD 3.53Å; E225-M234 HydrophobicContact CG-SD 4.39Å; R227-M234 HydrophobicContact CG-CG 3.5Å; R227-M234 HydrophobicContact CG-SD 4.4Å; R227-M234 PolarHBondContact NH2-SD 3.24Å; D232-M234 PolarHBondContact O-N 3.26Å
235F79Confident79.5Confident43 Ų4375.1 Ų75.119%0.18940%0.402CS..EExtended strand (participates in β ladder)trans-119.2137.6179-62.3-87.4000111.2Y226 C228 K233 C237 N240 L241 H244Y226-F235 WeakPolarHBondContact CB-O 3.35Å; Y226-F235 WeakPolarHBondContact CD2-O 3.49Å; Y226-F235 PolarHBondContact N-O 3.5Å; Y226-F235 WeakPolarHBondContact O-CD2 3.18Å; Y226-F235 PolarHBondContact O-N 3.03Å; C228-F235 HydrophobicContact CB-CE2 4.43Å; K233-F235 HydrophobicContact CB-CE2 3.61Å; K233-F235 HydrophobicContact CB-CZ 3.84Å; K233-F235 WeakPolarHBondContact O-CD2 3.44Å; K233-F235 WeakPolarHBondContact O-CE2 3.5Å; F235-C237 VanDerWaalsContact C-N 3.28Å; F235-C237 PolarHBondContact O-N 3.36Å; F235-N240 HydrophobicContact CB-CB 4.41Å; F235-N240 HydrophobicContact CD1-CB 3.94Å; F235-N240 HydrophobicContact CG-CB 4.5Å; F235-L241 HydrophobicContact CB-CB 4.24Å; F235-L241 HydrophobicContact CD2-CB 4.2Å; F235-L241 HydrophobicContact CD2-CD1 4Å; F235-L241 HydrophobicContact CE2-CD1 4.34Å; F235-L241 HydrophobicContact CG-CB 4.32Å; F235-H244 HydrophobicContact CE1-CB 4.02Å; F235-H244 HydrophobicContact CE2-CB 4.07Å; F235-H244 AromaticContact CE2-CD2 3.14Å; F235-H244 WeakPolarHBondContact CE2-CD2 3.44Å; F235-H244 AromaticContact CE2-CG 3.69Å; F235-H244 AromaticContact CE2-NE2 3.8Å; F235-H244 HydrophobicContact CZ-CB 3.62Å; F235-H244 AromaticContact CZ-CD2 3.23Å; F235-H244 WeakPolarHBondContact CZ-CD2 3.49Å; F235-H244 AromaticContact CZ-CG 3.3Å; F235-H244 AromaticContact CZ-ND1 3.95Å; F235-H244 AromaticContact CZ-NE2 3.81Å
236S78.3Confident80.3Confident85 Ų8579.6 Ų79.659%0.59442%0.415SS*.SBendtrans-76.1-14.2176.4-174.70000113.5
237C73.4Confident80.9Confident56 Ų5686.9 Ų86.938%0.37844%0.442SS..SBendtrans-135.5134.3-175-630000111.7F235 A239 N240 L241F235-C237 VanDerWaalsContact C-N 3.28Å; F235-C237 PolarHBondContact O-N 3.36Å; C237-A239 VanDerWaalsContact C-N 3.28Å; C237-A239 PolarHBondContact O-N 3.02Å; C237-N240 HydrophobicContact CB-CB 4.34Å; C237-N240 WeakPolarHBondContact O-CB 3.42Å; C237-N240 PolarHBondContact O-N 3.33Å; C237-L241 PolarHBondContact O-N 2.92Å
238P78.7Confident81Confident50 Ų5083.4 Ų83.433%0.32543%0.432SS..Hα-helixtrans-55.9-37.3175.7-27.935.1000114.2Y226 N240 L241 A242Y226-P238 HydrophobicContact CD1-CG 4.47Å; Y226-P238 HydrophobicContact CD2-CG 4.23Å; Y226-P238 HydrophobicContact CE1-CG 4.01Å; Y226-P238 HydrophobicContact CE2-CG 3.75Å; P238-N240 VanDerWaalsContact C-N 3.27Å; P238-N240 PolarHBondContact O-N 3.26Å; P238-L241 PolarHBondContact O-N 2.98Å; P238-A242 WeakPolarHBondContact O-CB 3.27Å; P238-A242 PolarHBondContact O-N 3.17Å
239A76.2Confident80.6Confident65 Ų6591.1 Ų91.154%0.53747%0.465SS..Hα-helixtrans-63.4-32.5177.800000112.8C237 S243C237-A239 VanDerWaalsContact C-N 3.28Å; C237-A239 PolarHBondContact O-N 3.02Å; A239-S243 WeakPolarHBondContact O-CB 3.47Å; A239-S243 PolarHBondContact O-N 3.06Å; A239-S243 PolarHBondContact O-OG 3.41Å
240N81.5Confident79.7Confident88 Ų8891.3 Ų91.347%0.47147%0.466SS..Hα-helixtrans-74.7-41.9177.4-65.3-0.3000110.4F235 C237 P238 S243 H244F235-N240 HydrophobicContact CB-CB 4.41Å; F235-N240 HydrophobicContact CD1-CB 3.94Å; F235-N240 HydrophobicContact CG-CB 4.5Å; C237-N240 HydrophobicContact CB-CB 4.34Å; C237-N240 WeakPolarHBondContact O-CB 3.42Å; C237-N240 PolarHBondContact O-N 3.33Å; P238-N240 VanDerWaalsContact C-N 3.27Å; P238-N240 PolarHBondContact O-N 3.26Å; N240-S243 PolarHBondContact O-N 3.18Å; N240-H244 VanDerWaalsContact O-CB 3.31Å; N240-H244 WeakPolarHBondContact O-CB 3.45Å; N240-H244 PolarHBondContact O-N 3.08Å
241L82.9Confident78Confident25 Ų2598.8 Ų98.813%0.13149%0.491CS..Hα-helixtrans-59.7-47.2170.8174.561.7000111.3C228 F235 C237 P238 S243 H244 R245C228-L241 HydrophobicContact CB-CD1 3.52Å; F235-L241 HydrophobicContact CB-CB 4.24Å; F235-L241 HydrophobicContact CD2-CB 4.2Å; F235-L241 HydrophobicContact CD2-CD1 4Å; F235-L241 HydrophobicContact CE2-CD1 4.34Å; F235-L241 HydrophobicContact CG-CB 4.32Å; C237-L241 PolarHBondContact O-N 2.92Å; P238-L241 PolarHBondContact O-N 2.98Å; L241-S243 PolarHBondContact O-N 3.04Å; L241-H244 PolarHBondContact O-N 2.93Å; L241-H244 VanDerWaalsContact O-N 3.11Å; L241-R245 HydrophobicContact CD1-CG 3.9Å; L241-R245 HydrophobicContact CG-CG 4.35Å; L241-R245 WeakPolarHBondContact O-CG 3.29Å; L241-R245 PolarHBondContact O-N 3.29Å
242A81.5Confident76.3Confident52 Ų52103.6 Ų103.643%0.4352%0.519SS..Hα-helixtrans-63.6-28179.900000113.2P238P238-A242 WeakPolarHBondContact O-CB 3.27Å; P238-A242 PolarHBondContact O-N 3.17Å
243S84.4Confident74.9Confident68 Ų68102.7 Ų102.748%0.47652%0.524SS..Hα-helixtrans-77.7-41.6171.7-58.20000111.6A239 N240 L241 R246A239-S243 WeakPolarHBondContact O-CB 3.47Å; A239-S243 PolarHBondContact O-N 3.06Å; A239-S243 PolarHBondContact O-OG 3.41Å; N240-S243 PolarHBondContact O-N 3.18Å; L241-S243 PolarHBondContact O-N 3.04Å; S243-R246 WeakPolarHBondContact O-CB 3.43Å; S243-R246 PolarHBondContact O-N 3.03Å
244H86.4Confident72.9Confident29 Ų29103 Ų10313%0.13454%0.536CS..Hα-helixtrans-64.6-40.9178.3172.353.3000113C231 F235 N240 L241 R246 W247 H248C231-H244 PolarHBondContact SG-NE2 2.86Å; C231-H244 VanDerWaalsContact SG-NE2 3.41Å; F235-H244 HydrophobicContact CE1-CB 4.02Å; F235-H244 HydrophobicContact CE2-CB 4.07Å; F235-H244 AromaticContact CE2-CD2 3.14Å; F235-H244 WeakPolarHBondContact CE2-CD2 3.44Å; F235-H244 AromaticContact CE2-CG 3.69Å; F235-H244 AromaticContact CE2-NE2 3.8Å; F235-H244 HydrophobicContact CZ-CB 3.62Å; F235-H244 AromaticContact CZ-CD2 3.23Å; F235-H244 WeakPolarHBondContact CZ-CD2 3.49Å; F235-H244 AromaticContact CZ-CG 3.3Å; F235-H244 AromaticContact CZ-ND1 3.95Å; F235-H244 AromaticContact CZ-NE2 3.81Å; N240-H244 VanDerWaalsContact O-CB 3.31Å; N240-H244 WeakPolarHBondContact O-CB 3.45Å; N240-H244 PolarHBondContact O-N 3.08Å; L241-H244 PolarHBondContact O-N 2.93Å; L241-H244 VanDerWaalsContact O-N 3.11Å; H244-R246 PolarHBondContact O-N 2.88Å; H244-W247 WeakPolarHBondContact O-CB 3.41Å; H244-W247 PolarHBondContact O-N 3.09Å; H244-H248 AromaticContact CE1-CD2 3.98Å; H244-H248 AromaticContact NE2-CD2 3.86Å
245R84.4Confident70.9Confident123 Ų123102.3 Ų102.346%0.46455%0.554SS.*THydrogen-bonded Turntrans-58.5-23.2176.3-69.1-175.176.4-167.12.1113.6E230 L241 W247 H248E230-R245 IonicContact OE1-CZ 2.77Å; E230-R245 VanDerWaalsContact OE1-CZ 3.23Å; E230-R245 IonicContact OE1-NE 3.7Å; E230-R245 PolarHBondContact OE1-NE 3.1Å; E230-R245 IonicContact OE1-NH2 3.35Å; E230-R245 PolarHBondContact OE1-NH2 3.47Å; L241-R245 HydrophobicContact CD1-CG 3.9Å; L241-R245 HydrophobicContact CG-CG 4.35Å; L241-R245 WeakPolarHBondContact O-CG 3.29Å; L241-R245 PolarHBondContact O-N 3.29Å; R245-W247 VanDerWaalsContact C-N 3.26Å; R245-W247 PolarHBondContact O-N 3.48Å; R245-H248 PolarHBondContact O-N 2.97Å
246R86.6Confident68.7Low200 Ų200104.8 Ų104.876%0.75558%0.583SS**THydrogen-bonded Turntrans-70.6-19.7173.9-58.5175.4-174.5-133.1-2113.2S243 H244S243-R246 WeakPolarHBondContact O-CB 3.43Å; S243-R246 PolarHBondContact O-N 3.03Å; H244-R246 PolarHBondContact O-N 2.88Å
247W80.5Confident67.3Low220 Ų220107.1 Ų107.183%0.83360%0.596SS**THydrogen-bonded Turntrans-80.3-26175.8-75.972.4000113.2H244 R245 K249H244-W247 WeakPolarHBondContact O-CB 3.41Å; H244-W247 PolarHBondContact O-N 3.09Å; R245-W247 VanDerWaalsContact C-N 3.26Å; R245-W247 PolarHBondContact O-N 3.48Å; W247-K249 PolarHBondContact O-N 3.31Å
248H80.4Confident65.5Low76 Ų76109.2 Ų109.235%0.35262%0.617SS.*SBendtrans-71.9-11.6175.5-74.4-67000113.8E230 C231 H244 R245 P250E230-H248 HydrophobicContact CB-CB 4.11Å; E230-H248 PolarHBondContact O-NE2 3.23Å; E230-H248 WeakPolarHBondContact OE2-CB 3.49Å; E230-H248 IonicContact OE2-CG 2.79Å; C231-H248 WeakPolarHBondContact CB-NE2 3.44Å; C231-H248 PolarHBondContact SG-NE2 2.95Å; H244-H248 AromaticContact CE1-CD2 3.98Å; H244-H248 AromaticContact NE2-CD2 3.86Å; R245-H248 PolarHBondContact O-N 2.97Å; H248-P250 WeakPolarHBondContact O-CD 3.37Å
249K76.1Confident63.2Low167 Ų167111.7 Ų111.773%0.72664%0.642SS**SBendtrans-98.488.7171.3-161.569.4173.2-179.80109.7W247 R251W247-K249 PolarHBondContact O-N 3.31Å; K249-R251 PolarHBondContact O-N 3.23Å
250P61.7Low61.3Low104 Ų104113.1 Ų113.168%0.67565%0.654SS**  trans-57.3131.4173.624.7-34.1000109.3H248 T252H248-P250 WeakPolarHBondContact O-CD 3.37Å; P250-T252 PolarHBondContact O-N 3.43Å; P250-T252 VanDerWaalsContact O-N 3.07Å
251R44.3Very low59.8Low238 Ų238114.6 Ų114.690%0.89867%0.668SS**  trans-68.5107.8179.2-65.6-179.876.3-151.46.5108.8K249 S253K249-R251 PolarHBondContact O-N 3.23Å; R251-S253 PolarHBondContact O-N 3.26Å
252T45.3Very low58.2Low126 Ų126118.7 Ų118.777%0.77370%0.696SS**  trans-59.8108.7166.246.30000108.9P250 T254P250-T252 PolarHBondContact O-N 3.43Å; P250-T252 VanDerWaalsContact O-N 3.07Å; T252-T254 VanDerWaalsContact C-N 3.29Å; T252-T254 PolarHBondContact O-N 3.1Å
253S48.6Very low55.9Low122 Ų122120.7 Ų120.785%0.85371%0.713SS**  trans-81.770-172.556.20000112R251R251-S253 PolarHBondContact O-N 3.26Å
254T36.6Very low53.5Low127 Ų127126.9 Ų126.978%0.77973%0.734SS**  trans-127.593.6175.450.50000110.1T252T252-T254 VanDerWaalsContact C-N 3.29Å; T252-T254 PolarHBondContact O-N 3.1Å
255G42.6Very low50.9Low84 Ų84129 Ų12987%0.86676%0.763SS**  trans-118.1100.4169.700000110.2
256A32.8Very low48.6Very low95 Ų95130.3 Ų130.379%0.78579%0.785SS**  trans-152.8124.2170.900000109.1
257P48.8Very low46.1Very low135 Ų135130 Ų13088%0.87779%0.789SS**  trans-95.4133.717834.3-30.7000112
258A34.4Very low44.3Very low99 Ų99124.9 Ų124.982%0.81878%0.784SS**  trans-154.2142.7169.500000112.6
259A30.1Very low42Very low102 Ų102127.4 Ų127.484%0.84380%0.8SS**  trans52.293.6158.900000120.5
260A36.5Very low40.1Very low95 Ų95127.4 Ų127.479%0.78581%0.805SS**  -85.5172.7126.700000107.8
261P50.4Low38.7Very low119 Ų119126 Ų12677%0.77380%0.802SS**  cis-143.7-148.135.543.5-19.6000111.7
262P49.9Very low38.1Very low111 Ų111123.1 Ų123.172%0.72180%0.796SS**  cis-138.8170.6-7.640.1-21.3000119.1
263A32.8Very low37.4Very low95 Ų95124.9 Ų124.979%0.78580%0.797SS**  trans70.3144.5155.500000118.4
264Q35.1Very low36.9Very low198 Ų198127.7 Ų127.793%0.92580%0.797SS**  cis-133.4170.413.6-61.417826.200111.3
265G31.2Very low37.1Very low72 Ų72127.4 Ų127.474%0.74280%0.797SS**  cis173.5-33.7-7.500000117.6
266V36.8Very low36.6Very low151 Ų151132.1 Ų132.192%0.91580%0.801SS**  trans-92.7151-166.6-70.20000116.6
267K32.8Very low36.6Very low195 Ų195131.2 Ų131.285%0.84880%0.802SS**  trans-124.2176.9173.5-45.2178.5-177.8175.80109.6
268P43.2Very low35.8Very low111 Ų111131 Ų13172%0.72180%0.797SS**  -145175.66937.5-16.9000116.6
269D31.1Very low35.7Very low130 Ų130135.6 Ų135.670%0.69580%0.799SS**  trans17.6144.6145.9-66.5-114.8000121
270M36.3Very low35.8Very low166 Ų166136.3 Ų136.382%0.81880%0.798SS**  cis-162.3-176.913.1-135.6-169-92.400109.2
271A32.4Very low35.5Very low74 Ų74138.7 Ų138.761%0.61280%0.802SS**  cis-158.4170.63.500000114.1
272K31.4Very low34.6Very low179 Ų179137.6 Ų137.678%0.77880%0.798SS**  14.7134.4128.9-152.9169.5179.6-178.20117.4
273M32Very low33.5Very low163 Ų163139.4 Ų139.480%0.80380%0.801SS**  cis-150.3-175.932-151.5145.9172.900114.3
274Q37.3Very low33.6Very low180 Ų180143.1 Ų143.184%0.84180%0.802SS**  trans-96.9160.6-168.9-65.8168.7-9.200114.5
275P40.3Very low33.7Very low121 Ų121139.8 Ų139.879%0.78680%0.796SS**  trans-89.4150.6172.736-34.4000113.7
276L32.4Very low33.8Very low183 Ų183145.4 Ų145.496%0.95880%0.8SS**  trans-135141160.8-72.1173.5000108.1
277G32.7Very low33.4Very low77 Ų77143.9 Ų143.979%0.79479%0.786SS**  trans-130146.4-176.400000112.9
278V33.5Very low33.4Very low129 Ų129142 Ų14278%0.78278%0.782SS**  trans-141.7116178.7-175.70000110.7
279K30.7Very low33Very low197 Ų197141.3 Ų141.386%0.85778%0.78SS**  trans40137.8147.6-54.7173.4-176.2177.40121.4
280S32.9Very low33.2Very low117 Ų117141.4 Ų141.482%0.81878%0.781SS**  trans-66.7157161.4-41.10000113.5
281V30Very low33.3Very low145 Ų145143.8 Ų143.888%0.87978%0.781SS**  trans-140156.9149.9-76.50000109.1
282S31.3Very low33.5Very low96 Ų96146.9 Ų146.967%0.67179%0.787SS**  trans-77166.1166.156.90000109.8
283D28.1Very low34Very low149 Ų149144.2 Ų144.280%0.79779%0.786SS**  -165.4-178.874.4-129.2-103.3000114.1
284E35.1Very low34.7Very low173 Ų173142 Ų14281%0.80878%0.784SS**  trans-92.5159.4-179.3-60.3-162.7106.400113.4
285T36.6Very low34.6Very low128 Ų128138.6 Ų138.679%0.78578%0.779SS**  -173.8128.8128.814.20000112.9
286K33.3Very low34.9Very low190 Ų190139.4 Ų139.483%0.82679%0.785SS**  49149.6127.5-71-170.5178.4-171.90121.6
287D28.5Very low34.8Very low119 Ų119133.9 Ų133.964%0.63677%0.772SS**  cis-177.4172.8-10.4-173.9-173.8000107.8
288M33.2Very low35.6Very low154 Ų154138.7 Ų138.776%0.75978%0.779SS**  trans67.6135.7174.6-42-90.988.500115.3
289S33.9Very low36.1Very low97 Ų97138 Ų13868%0.67878%0.78SS**  cis-153.9-164.2-19.359.40000106.4
290D34.9Very low36.5Very low133 Ų133136.7 Ų136.771%0.71178%0.776SS**  cis-163.2175.414.1-139.1-65.2000111
291R38.7Very low36.7Very low215 Ų215135.4 Ų135.481%0.81177%0.768SS**  trans41.891.7163.6-79.5-174.4161.9174.8-5.8121.2
292D37.2Very low37.4Very low140 Ų140132.9 Ų132.975%0.74977%0.77SS**  29.8145.3101.8-58-77.8000120.1
293T41.6Very low37.9Very low123 Ų123132.9 Ų132.976%0.75577%0.77SS**  cis-166.9177.94.914.20000108.9
294P46.7Very low39.1Very low117 Ų117135.5 Ų135.576%0.7678%0.778SS**  cis-123.3172-34.135.2-19.7000112.6
295S35.3Very low40.2Very low107 Ų107131.2 Ų131.275%0.74876%0.761SS**  trans-88.2167.6168.4-60.70000112
296P46.9Very low41.4Very low139 Ų139127.6 Ų127.690%0.90375%0.749SS**  -13815188.438.5-27.1000113.6
297G31Very low43.7Very low66 Ų66119.8 Ų119.868%0.6872%0.718SS**  cis-172.9142.7-7.900000108.7
298L47.9Very low46.5Very low179 Ų179119.1 Ų119.194%0.93771%0.707SS**  trans-109.1116.5-176-71.9176.2000111.5
299S44.5Very low49.2Very low115 Ų115116 Ų11680%0.80469%0.694SS**  trans-170.2140.7164.3-105.30000107.3
300E39.5Very low51.8Low168 Ų168111.3 Ų111.379%0.78566%0.661SS**  cis-138.1174.33.9-61.8-176.439.900112
301S37.5Very low54.2Low91 Ų91113.4 Ų113.464%0.63667%0.667SS**  trans42.7102.2143.6-63.30000118.8S303S301-S303 PolarHBondContact O-N 3.16Å
302G43.3Very low56.1Low91 Ų91108.6 Ų108.694%0.93865%0.652SS**  trans-69.869163.300000113
303S42.3Very low58.3Low96 Ų96104.2 Ų104.267%0.67163%0.632SS**  trans-61.1146.3169-610000111S301 D305S301-S303 PolarHBondContact O-N 3.16Å; S303-D305 PolarHBondContact O-N 3.2Å
304E52.9Low60.2Low204 Ų204101 Ų10195%0.95362%0.623SS**SBendtrans-71.11.2-158.165.7-163.4113.400117.7
305D59.8Low62.1Low83 Ų8399 Ų9944%0.44460%0.602SS.*  trans-130.794.5169.3-135.5-31.3000110.3S303 S307 K318S303-D305 PolarHBondContact O-N 3.2Å; D305-S307 PolarHBondContact O-N 2.04Å; D305-K318 IonicContact OD1-NZ 3.08Å; D305-K318 PolarHBondContact OD1-NZ 3.18Å; D305-K318 IonicContact OD2-NZ 3.48Å; D305-K318 PolarHBondContact OD2-NZ 2.89Å
306G61.7Low64.5Low52 Ų52102.1 Ų102.154%0.53660%0.598SS.*  trans-68.365175.400000112.6
307S81.1Confident66.5Low26 Ų2697.7 Ų97.718%0.18256%0.564CS.*  trans-105113.8-172.873.70000111.2D305 R316 F317D305-S307 PolarHBondContact O-N 2.04Å; S307-R316 PolarHBondContact OG-NE 3.41Å; S307-R316 PolarHBondContact OG-NH2 3.48Å; S307-F317 CarbonylContact C-O 3.56Å; S307-F317 WeakPolarHBondContact CA-O 3.41Å
308Y87.3Confident69.1Low105 Ų105101.8 Ų101.841%0.41256%0.563SS.*EExtended strand (participates in β ladder)trans-88.4117.9177.7-55-94000109.3F317 Q320Y308-F317 PolarHBondContact N-O 2.58Å; Y308-F317 PolarHBondContact O-N 3.17Å; Y308-Q320 HydrophobicContact CD1-CB 4.08Å; Y308-Q320 HydrophobicContact CD1-CG 4.39Å; Y308-Q320 HydrophobicContact CD2-CB 4.06Å; Y308-Q320 HydrophobicContact CE1-CB 3.91Å; Y308-Q320 HydrophobicContact CE1-CG 4.33Å; Y308-Q320 HydrophobicContact CE2-CB 3.89Å; Y308-Q320 VanDerWaalsContact CE2-N 3.29Å; Y308-Q320 HydrophobicContact CG-CB 4.15Å
309D88.4Confident70.9Confident88 Ų88100.5 Ų100.547%0.47155%0.546SS..EExtended strand (participates in β ladder)trans-87.8156.9178.965-74000113.1K315 R316 L323D309-K315 CarbonylContact C-O 3.29Å; D309-K315 WeakPolarHBondContact CA-O 3.48Å; D309-R316 HydrophobicContact CB-CG 4.04Å; D309-L323 WeakPolarHBondContact O-CD2 3.31Å
310C89.4Confident73Confident0 Ų098 Ų980%052%0.522CS..  trans-101.7111.8176-170.20000110.9F312 C313 G314 K315 F317 L323C310-F312 PolarHBondContact O-N 2.85Å; C310-C313 VanDerWaalsContact CB-SG 3.58Å; C310-C313 PolarHBondContact O-N 2.8Å; C310-G314 PolarHBondContact O-N 3.19Å; C310-K315 PolarHBondContact N-O 3.48Å; C310-F317 HydrophobicContact CB-CE2 4.39Å; C310-L323 HydrophobicContact CB-CD1 3.45Å; C310-L323 VanDerWaalsContact CB-CD1 3.45Å
311Q84.4Confident75.4Confident177 Ų17793 Ų9383%0.82751%0.509SS*.THydrogen-bonded Turntrans-52.9-27.6178.9-65.2170.5-4.800113.7
312F79.8Confident77.7Confident113 Ų11394.4 Ų94.450%0.49650%0.501SS..THydrogen-bonded Turntrans-83.8-9.3179-56.5-71.1000115C310 I327C310-F312 PolarHBondContact O-N 2.85Å; F312-I327 HydrophobicContact CE2-CG2 4.22Å
313C83.9Confident80Confident49 Ų4990.6 Ų90.633%0.33146%0.459SS..THydrogen-bonded Turntrans-161.87.2-174.869.90000117C310 K315 H326C310-C313 VanDerWaalsContact CB-SG 3.58Å; C310-C313 PolarHBondContact O-N 2.8Å; C313-K315 PolarHBondContact O-N 2.99Å; C313-K315 VanDerWaalsContact O-N 3.08Å; C313-K315 VanDerWaalsContact SG-CG 3.57Å; C313-H326 PolarHBondContact SG-NE2 3.42Å
314G81.7Confident82.2Confident55 Ų5593.8 Ų93.857%0.56746%0.456SS*.  trans68.7-1.2179.500000116.7C310 R316C310-G314 PolarHBondContact O-N 3.19Å; G314-R316 PolarHBondContact O-N 2.7Å
315K86.4Confident84Confident76 Ų7691.6 Ų91.633%0.3344%0.444SS..  trans-68.9118.6-174.8-68.2177.2-170.6173.60111.5D309 C310 C313 F317D309-K315 CarbonylContact C-O 3.29Å; D309-K315 WeakPolarHBondContact CA-O 3.48Å; C310-K315 PolarHBondContact N-O 3.48Å; C313-K315 PolarHBondContact O-N 2.99Å; C313-K315 VanDerWaalsContact O-N 3.08Å; C313-K315 VanDerWaalsContact SG-CG 3.57Å; K315-F317 HydrophobicContact CB-CE2 3.68Å; K315-F317 HydrophobicContact CB-CZ 3.95Å; K315-F317 WeakPolarHBondContact O-CD2 3.42Å; K315-F317 WeakPolarHBondContact O-CE2 3.15Å
316R85.8Confident85.3Confident171 Ų17189.3 Ų89.365%0.64543%0.43SS*.EExtended strand (participates in β ladder)trans-88.3128.6179-68.7174.771.2174.10.9111.8S307 D309 G314S307-R316 PolarHBondContact OG-NE 3.41Å; S307-R316 PolarHBondContact OG-NH2 3.48Å; D309-R316 HydrophobicContact CB-CG 4.04Å; G314-R316 PolarHBondContact O-N 2.7Å
317F87.3Confident86.5Confident47 Ų4789 Ų8921%0.20642%0.416CS..EExtended strand (participates in β ladder)trans-121.9128.9-177.1-64-88.2000112.1S307 Y308 C310 K315 R319 L323 H326S307-F317 CarbonylContact C-O 3.56Å; S307-F317 WeakPolarHBondContact CA-O 3.41Å; Y308-F317 PolarHBondContact N-O 2.58Å; Y308-F317 PolarHBondContact O-N 3.17Å; C310-F317 HydrophobicContact CB-CE2 4.39Å; K315-F317 HydrophobicContact CB-CE2 3.68Å; K315-F317 HydrophobicContact CB-CZ 3.95Å; K315-F317 WeakPolarHBondContact O-CD2 3.42Å; K315-F317 WeakPolarHBondContact O-CE2 3.15Å; F317-R319 PolarHBondContact O-N 3.43Å; F317-L323 HydrophobicContact CB-CB 4.29Å; F317-L323 HydrophobicContact CD2-CB 3.94Å; F317-L323 HydrophobicContact CD2-CD1 3.85Å; F317-L323 HydrophobicContact CD2-CG 4.5Å; F317-L323 HydrophobicContact CE2-CD1 4Å; F317-L323 HydrophobicContact CG-CB 4.3Å; F317-H326 HydrophobicContact CE1-CB 4.31Å; F317-H326 HydrophobicContact CE2-CB 3.93Å; F317-H326 AromaticContact CE2-CD2 3.58Å; F317-H326 AromaticContact CE2-CG 3.95Å; F317-H326 HydrophobicContact CZ-CB 3.59Å; F317-H326 AromaticContact CZ-CD2 3.54Å; F317-H326 AromaticContact CZ-CG 3.55Å
318K85.8Confident86.8Confident151 Ų15193.8 Ų93.866%0.65744%0.437SS*.SBendtrans-69.74.3-179-60.3-165.9173.5-99.10115.8D305D305-K318 IonicContact OD1-NZ 3.08Å; D305-K318 PolarHBondContact OD1-NZ 3.18Å; D305-K318 IonicContact OD2-NZ 3.48Å; D305-K318 PolarHBondContact OD2-NZ 2.89Å
319R86.8Confident86.7Confident152 Ų15290.9 Ų90.957%0.57444%0.435SS*.SBendtrans-154138.1172.4-56.9-174.9-178142.7-4.6110.9F317 A321 Y322 L323F317-R319 PolarHBondContact O-N 3.43Å; R319-A321 PolarHBondContact O-N 3.46Å; R319-A321 VanDerWaalsContact O-N 3.12Å; R319-Y322 HydrophobicContact CB-CD2 3.72Å; R319-Y322 HydrophobicContact CB-CE2 3.98Å; R319-Y322 HydrophobicContact CG-CD2 4.18Å; R319-Y322 HydrophobicContact CG-CE2 3.97Å; R319-Y322 PolarHBondContact NH1-OH 3.33Å; R319-Y322 VanDerWaalsContact NH1-OH 3.14Å; R319-Y322 PolarHBondContact O-N 3.15Å; R319-L323 PolarHBondContact O-N 3.36Å
320Q87Confident86.5Confident64 Ų6488.7 Ų88.730%0.29942%0.422SS..Hα-helixtrans-57-29.8178.5-174.960.9-55.400113.5Y308 Y322 L323 R324Y308-Q320 HydrophobicContact CD1-CB 4.08Å; Y308-Q320 HydrophobicContact CD1-CG 4.39Å; Y308-Q320 HydrophobicContact CD2-CB 4.06Å; Y308-Q320 HydrophobicContact CE1-CB 3.91Å; Y308-Q320 HydrophobicContact CE1-CG 4.33Å; Y308-Q320 HydrophobicContact CE2-CB 3.89Å; Y308-Q320 VanDerWaalsContact CE2-N 3.29Å; Y308-Q320 HydrophobicContact CG-CB 4.15Å; Q320-Y322 VanDerWaalsContact C-N 3.28Å; Q320-Y322 PolarHBondContact O-N 2.94Å; Q320-L323 PolarHBondContact O-N 2.89Å; Q320-R324 HydrophobicContact CG-CG 4.49Å; Q320-R324 WeakPolarHBondContact O-CG 3.34Å; Q320-R324 PolarHBondContact O-N 3.28Å
321A89.9Confident86.2Confident62 Ų6293.6 Ų93.651%0.51245%0.445SS..Hα-helixtrans-65-26.9176.100000113.9R319 K325R319-A321 PolarHBondContact O-N 3.46Å; R319-A321 VanDerWaalsContact O-N 3.12Å; A321-K325 WeakPolarHBondContact O-CG 3.31Å
322Y86.9Confident85.8Confident120 Ų12087.9 Ų87.947%0.47143%0.428SS..Hα-helixtrans-83-39.6175-59.9-56.2000111.4R319 Q320 K325 H326R319-Y322 HydrophobicContact CB-CD2 3.72Å; R319-Y322 HydrophobicContact CB-CE2 3.98Å; R319-Y322 HydrophobicContact CG-CD2 4.18Å; R319-Y322 HydrophobicContact CG-CE2 3.97Å; R319-Y322 PolarHBondContact NH1-OH 3.33Å; R319-Y322 VanDerWaalsContact NH1-OH 3.14Å; R319-Y322 PolarHBondContact O-N 3.15Å; Q320-Y322 VanDerWaalsContact C-N 3.28Å; Q320-Y322 PolarHBondContact O-N 2.94Å; Y322-K325 PolarHBondContact O-N 3.32Å; Y322-H326 PolarHBondContact O-N 3.05Å
323L92.2Very high85.5Confident12 Ų1286.2 Ų86.26%0.06342%0.424CS..Hα-helixtrans-59.9-47173.217560.5000111.5D309 C310 F317 R319 Q320 K325 H326 I327D309-L323 WeakPolarHBondContact O-CD2 3.31Å; C310-L323 HydrophobicContact CB-CD1 3.45Å; C310-L323 VanDerWaalsContact CB-CD1 3.45Å; F317-L323 HydrophobicContact CB-CB 4.29Å; F317-L323 HydrophobicContact CD2-CB 3.94Å; F317-L323 HydrophobicContact CD2-CD1 3.85Å; F317-L323 HydrophobicContact CD2-CG 4.5Å; F317-L323 HydrophobicContact CE2-CD1 4Å; F317-L323 HydrophobicContact CG-CB 4.3Å; R319-L323 PolarHBondContact O-N 3.36Å; Q320-L323 PolarHBondContact O-N 2.89Å; L323-K325 VanDerWaalsContact C-N 3.34Å; L323-K325 PolarHBondContact O-N 2.83Å; L323-H326 CarbonylContact O-C 3.59Å; L323-H326 WeakPolarHBondContact O-CA 3.45Å; L323-H326 WeakPolarHBondContact O-CB 3.4Å; L323-H326 PolarHBondContact O-N 3.41Å; L323-I327 HydrophobicContact CD1-CD1 3.84Å; L323-I327 HydrophobicContact CD1-CG1 3.89Å; L323-I327 HydrophobicContact CD2-CD1 4.23Å; L323-I327 HydrophobicContact CG-CD1 3.76Å; L323-I327 HydrophobicContact CG-CG1 4.25Å; L323-I327 PolarHBondContact O-N 3.14Å
324R88.6Confident84.8Confident162 Ų16289.1 Ų89.161%0.61143%0.432SS*.Hα-helixtrans-55.5-46.4177.2-74.5176179.2165.10.3112.3Q320 H326 I327 M328Q320-R324 HydrophobicContact CG-CG 4.49Å; Q320-R324 WeakPolarHBondContact O-CG 3.34Å; Q320-R324 PolarHBondContact O-N 3.28Å; R324-H326 VanDerWaalsContact C-N 3.27Å; R324-H326 PolarHBondContact O-N 2.73Å; R324-I327 PolarHBondContact O-N 3.12Å; R324-M328 WeakPolarHBondContact O-CG 2.95Å; R324-M328 PolarHBondContact O-N 2.99Å; R324-M328 VanDerWaalsContact O-N 3.07Å
325K89.7Confident84.3Confident158 Ų15892.4 Ų92.469%0.68743%0.431SS*.Hα-helixtrans-61.4-34.2174.4-74.2-174.2175.7-165.90112.7A321 Y322 L323 A329A321-K325 WeakPolarHBondContact O-CG 3.31Å; Y322-K325 PolarHBondContact O-N 3.32Å; L323-K325 VanDerWaalsContact C-N 3.34Å; L323-K325 PolarHBondContact O-N 2.83Å; K325-A329 PolarHBondContact O-N 3.44Å
326H86.8Confident83.2Confident35 Ų3595 Ų9516%0.16244%0.442CS..Hα-helixtrans-73.2-40.1176.8-173.243000113.1C313 F317 Y322 L323 R324 M328 A329 H330C313-H326 PolarHBondContact SG-NE2 3.42Å; F317-H326 HydrophobicContact CE1-CB 4.31Å; F317-H326 HydrophobicContact CE2-CB 3.93Å; F317-H326 AromaticContact CE2-CD2 3.58Å; F317-H326 AromaticContact CE2-CG 3.95Å; F317-H326 HydrophobicContact CZ-CB 3.59Å; F317-H326 AromaticContact CZ-CD2 3.54Å; F317-H326 AromaticContact CZ-CG 3.55Å; Y322-H326 PolarHBondContact O-N 3.05Å; L323-H326 CarbonylContact O-C 3.59Å; L323-H326 WeakPolarHBondContact O-CA 3.45Å; L323-H326 WeakPolarHBondContact O-CB 3.4Å; L323-H326 PolarHBondContact O-N 3.41Å; R324-H326 VanDerWaalsContact C-N 3.27Å; R324-H326 PolarHBondContact O-N 2.73Å; H326-M328 VanDerWaalsContact C-N 3.34Å; H326-M328 PolarHBondContact O-N 2.77Å; H326-A329 WeakPolarHBondContact O-CB 3.47Å; H326-A329 PolarHBondContact O-N 2.87Å; H326-A329 VanDerWaalsContact O-N 3.13Å; H326-H330 AromaticContact CD2-NE2 3.82Å; H326-H330 AromaticContact CE1-CD2 3.96Å; H326-H330 AromaticContact CE1-NE2 3.44Å; H326-H330 PolarHBondContact CE1-NE2 2.98Å; H326-H330 AromaticContact NE2-CD2 3.79Å; H326-H330 AromaticContact NE2-NE2 3.08Å; H326-H330 PolarHBondContact NE2-NE2 3.38Å; H326-H330 PolarHBondContact O-CD2 3.47Å; H326-H330 PolarHBondContact O-N 3.35Å
327I87.7Confident82Confident46 Ų4690.6 Ų90.624%0.23643%0.434CS..Hα-helixtrans-62.8-41.2175.2-67.1169.9000110.9F312 L323 R324 A329 H330 Q331F312-I327 HydrophobicContact CE2-CG2 4.22Å; L323-I327 HydrophobicContact CD1-CD1 3.84Å; L323-I327 HydrophobicContact CD1-CG1 3.89Å; L323-I327 HydrophobicContact CD2-CD1 4.23Å; L323-I327 HydrophobicContact CG-CD1 3.76Å; L323-I327 HydrophobicContact CG-CG1 4.25Å; L323-I327 PolarHBondContact O-N 3.14Å; R324-I327 PolarHBondContact O-N 3.12Å; I327-A329 PolarHBondContact O-N 3.1Å; I327-H330 WeakPolarHBondContact O-CB 3.45Å; I327-H330 PolarHBondContact O-N 2.95Å; I327-H330 VanDerWaalsContact O-N 3.1Å; I327-Q331 PolarHBondContact O-N 2.99Å
328M87.4Confident80.6Confident126 Ų12694.7 Ų94.762%0.62146%0.458SS*.Hα-helixtrans-61.4-28.2175-68.1179.579.300113R324 H326 A332R324-M328 WeakPolarHBondContact O-CG 2.95Å; R324-M328 PolarHBondContact O-N 2.99Å; R324-M328 VanDerWaalsContact O-N 3.07Å; H326-M328 VanDerWaalsContact C-N 3.34Å; H326-M328 PolarHBondContact O-N 2.77Å; M328-A332 WeakPolarHBondContact O-CB 3.34Å; M328-A332 PolarHBondContact O-N 3.07Å
329A85.1Confident79.3Confident45 Ų4593 Ų9337%0.37245%0.452SS..Hα-helixtrans-70.5-39.4173.900000112.1K325 H326 I327 A332 L333K325-A329 PolarHBondContact O-N 3.44Å; H326-A329 WeakPolarHBondContact O-CB 3.47Å; H326-A329 PolarHBondContact O-N 2.87Å; H326-A329 VanDerWaalsContact O-N 3.13Å; I327-A329 PolarHBondContact O-N 3.1Å; A329-A332 PolarHBondContact O-N 2.79Å; A329-L333 WeakPolarHBondContact O-CG 3.48Å; A329-L333 PolarHBondContact O-N 3.33Å; A329-L333 VanDerWaalsContact O-N 3.12Å
330H83.6Confident77.7Confident41 Ų4193.6 Ų93.619%0.1946%0.461CS..Hα-helixtrans-61.7-45.1171.8-71.6-72000111.5H326 I327 A332 L333 Q334H326-H330 AromaticContact CD2-NE2 3.82Å; H326-H330 AromaticContact CE1-CD2 3.96Å; H326-H330 AromaticContact CE1-NE2 3.44Å; H326-H330 PolarHBondContact CE1-NE2 2.98Å; H326-H330 AromaticContact NE2-CD2 3.79Å; H326-H330 AromaticContact NE2-NE2 3.08Å; H326-H330 PolarHBondContact NE2-NE2 3.38Å; H326-H330 PolarHBondContact O-CD2 3.47Å; H326-H330 PolarHBondContact O-N 3.35Å; I327-H330 WeakPolarHBondContact O-CB 3.45Å; I327-H330 PolarHBondContact O-N 2.95Å; I327-H330 VanDerWaalsContact O-N 3.1Å; H330-A332 VanDerWaalsContact C-N 3.33Å; H330-A332 PolarHBondContact O-N 2.79Å; H330-L333 PolarHBondContact O-N 3.33Å; H330-L333 VanDerWaalsContact O-N 3.14Å; H330-Q334 WeakPolarHBondContact O-CG 3.39Å; H330-Q334 PolarHBondContact O-N 3.43Å
331Q83.2Confident76.1Confident104 Ų10498 Ų9849%0.48648%0.482SS..Hα-helixtrans-62-39177.2-69173.2-27.300112.3I327 L333 Q334 K335I327-Q331 PolarHBondContact O-N 2.99Å; Q331-L333 VanDerWaalsContact C-N 3.3Å; Q331-L333 PolarHBondContact O-N 3.4Å; Q331-Q334 PolarHBondContact O-N 2.99Å; Q331-K335 PolarHBondContact O-N 3.02Å
332A76.8Confident74.1Confident56 Ų5697.9 Ų97.946%0.46349%0.487SS..Hα-helixtrans-66.5-29.6175.400000113.2M328 A329 H330 K336M328-A332 WeakPolarHBondContact O-CB 3.34Å; M328-A332 PolarHBondContact O-N 3.07Å; A329-A332 PolarHBondContact O-N 2.79Å; H330-A332 VanDerWaalsContact C-N 3.33Å; H330-A332 PolarHBondContact O-N 2.79Å; A332-K336 WeakPolarHBondContact O-CG 3.49Å
333L73.6Confident71.9Confident79 Ų79101.3 Ų101.341%0.41450%0.504SS..Hα-helixtrans-78-44.1173.2-67.9169.8000111.5A329 H330 Q331 K335 K336 V337 S386A329-L333 WeakPolarHBondContact O-CG 3.48Å; A329-L333 PolarHBondContact O-N 3.33Å; A329-L333 VanDerWaalsContact O-N 3.12Å; H330-L333 PolarHBondContact O-N 3.33Å; H330-L333 VanDerWaalsContact O-N 3.14Å; Q331-L333 VanDerWaalsContact C-N 3.3Å; Q331-L333 PolarHBondContact O-N 3.4Å; L333-K335 VanDerWaalsContact C-N 3.3Å; L333-K335 PolarHBondContact O-N 3.08Å; L333-K336 PolarHBondContact O-N 3.36Å; L333-K336 VanDerWaalsContact O-N 3.15Å; L333-V337 WeakPolarHBondContact O-CG2 3.27Å; L333-V337 PolarHBondContact O-N 2.86Å; L333-S386 WeakPolarHBondContact CD1-OG 3.34Å
334Q68.4Low69.8Low109 Ų109109.6 Ų109.651%0.50954%0.542SS..Hα-helixtrans-56.7-42.2174.3-75.1175.2-21.500112H330 Q331 K336 V337 L338H330-Q334 WeakPolarHBondContact O-CG 3.39Å; H330-Q334 PolarHBondContact O-N 3.43Å; Q331-Q334 PolarHBondContact O-N 2.99Å; Q334-K336 PolarHBondContact O-N 3.13Å; Q334-V337 PolarHBondContact O-N 3.48Å; Q334-L338 PolarHBondContact O-N 2.81Å
335K70.4Confident67.3Low125 Ų125108.6 Ų108.654%0.54356%0.555SS.*Hα-helixtrans-63-39.5176.9-169.8170.9-171.6-81.10112.6Q331 L333 L338 E339Q331-K335 PolarHBondContact O-N 3.02Å; L333-K335 VanDerWaalsContact C-N 3.3Å; L333-K335 PolarHBondContact O-N 3.08Å; K335-L338 PolarHBondContact O-N 2.98Å; K335-E339 IonicContact NZ-OE1 2.79Å; K335-E339 PolarHBondContact NZ-OE1 3.36Å; K335-E339 WeakPolarHBondContact O-CG 2.94Å; K335-E339 PolarHBondContact O-N 3.05Å
336K63.1Low64.9Low129 Ų129106 Ų10656%0.56156%0.556SS**Hα-helixtrans-65.5-41.9175.7-73.7-177.5174.8-165.80112.6A332 L333 Q334 L338 E339 E340A332-K336 WeakPolarHBondContact O-CG 3.49Å; L333-K336 PolarHBondContact O-N 3.36Å; L333-K336 VanDerWaalsContact O-N 3.15Å; Q334-K336 PolarHBondContact O-N 3.13Å; K336-L338 VanDerWaalsContact C-N 3.28Å; K336-L338 PolarHBondContact O-N 3.4Å; K336-E339 PolarHBondContact O-N 3.24Å; K336-E340 PolarHBondContact O-N 3.33Å
337V60.8Low62.4Low80 Ų80111.8 Ų111.849%0.48559%0.588SS.*Hα-helixtrans-62.4-38.2175.3173.90000110.9L333 Q334 H341L333-V337 WeakPolarHBondContact O-CG2 3.27Å; L333-V337 PolarHBondContact O-N 2.86Å; Q334-V337 PolarHBondContact O-N 3.48Å; V337-H341 PolarHBondContact O-CD2 3.08Å; V337-H341 VanDerWaalsContact O-CD2 3.23Å; V337-H341 PolarHBondContact O-N 2.97Å; V337-H341 VanDerWaalsContact O-N 3.1Å
338L59Low60.1Low133 Ų133121.7 Ų121.770%0.69662%0.623SS**Hα-helixtrans-66.6-38.4173.9-169.270.2000112.5Q334 K335 K336 G342Q334-L338 PolarHBondContact O-N 2.81Å; K335-L338 PolarHBondContact O-N 2.98Å; K336-L338 VanDerWaalsContact C-N 3.28Å; K336-L338 PolarHBondContact O-N 3.4Å; L338-G342 PolarHBondContact O-N 3.32Å
339E57.7Low57.6Low115 Ų115120 Ų12054%0.53763%0.629SS.*Hα-helixtrans-69.9-37177.1-74170.3161.400112.5K335 K336 G342K335-E339 IonicContact NZ-OE1 2.79Å; K335-E339 PolarHBondContact NZ-OE1 3.36Å; K335-E339 WeakPolarHBondContact O-CG 2.94Å; K335-E339 PolarHBondContact O-N 3.05Å; K336-E339 PolarHBondContact O-N 3.24Å; E339-G342 PolarHBondContact O-N 3.45Å
340E53.2Low55.1Low165 Ų165122.4 Ų122.477%0.77165%0.649SS**Hα-helixtrans-75.7-28177.2-72.5-178.1179.200113.3K336 G342K336-E340 PolarHBondContact O-N 3.33Å; E340-G342 VanDerWaalsContact C-N 3.35Å
341H54.8Low52.6Low156 Ų156124.9 Ų124.972%0.72268%0.677SS**THydrogen-bonded Turntrans-85.5-1.3172.2-74.8-62.7000114.3V337 F343V337-H341 PolarHBondContact O-CD2 3.08Å; V337-H341 VanDerWaalsContact O-CD2 3.23Å; V337-H341 PolarHBondContact O-N 2.97Å; V337-H341 VanDerWaalsContact O-N 3.1Å; H341-F343 VanDerWaalsContact C-N 3.29Å; H341-F343 PolarHBondContact O-N 3.09Å
342G46Very low50Low60 Ų60127.4 Ų127.462%0.61969%0.688SS**  trans-75.90-175.600000116.7L338 E339 E340L338-G342 PolarHBondContact O-N 3.32Å; E339-G342 PolarHBondContact O-N 3.45Å; E340-G342 VanDerWaalsContact C-N 3.35Å
343F42Very low48Very low191 Ų191132.7 Ų132.784%0.83870%0.704SS**SBendtrans-120.362.2-171.7-157.6-94.4000113.8H341H341-F343 VanDerWaalsContact C-N 3.29Å; H341-F343 PolarHBondContact O-N 3.09Å
344Q48.5Very low46Very low186 Ų186133.3 Ų133.387%0.86972%0.72SS**  trans-165.967158.4-117.8162.3111.700114.8
345T36.4Very low45.2Very low142 Ų142133.6 Ų133.687%0.87173%0.731SS**  trans-138.581.1158.9550000110.2
346S37.3Very low43.2Very low102 Ų102134.3 Ų134.371%0.71375%0.746SS**  trans-83126.917153.40000111.1
347D35.8Very low41.5Very low157 Ų157133.3 Ų133.384%0.8476%0.755SS**  trans49.992.9149.4-55.9-65.8000119.2
348R39.5Very low40.1Very low254 Ų254134 Ų13496%0.95877%0.769SS**  trans-138.3138.2132-153.8171.5-176.691.90.1111
349A34.3Very low39.2Very low91 Ų91133.3 Ų133.375%0.75277%0.772SS**  trans-96150.9-154.700000115.9
350A32.2Very low37.7Very low95 Ų95133 Ų13379%0.78578%0.783SS**  trans71.1158.2138.700000121.1
351A30.7Very low36.5Very low94 Ų94129.5 Ų129.578%0.77778%0.777SS**  trans65.8145171.800000117.1
352E30.2Very low35.4Very low156 Ų156130 Ų13073%0.72978%0.779SS**  cis-160.5162.4-32.9-143.1-164.8118.700108.4
353Q33.1Very low34.6Very low168 Ų168135.2 Ų135.279%0.78579%0.788SS**  trans62.6154.7162-61.9172.426.400119.3
354A32.2Very low34.3Very low91 Ų91130.2 Ų130.275%0.75278%0.781SS**  trans-140.5-176166.800000106.3
355P51Low33.4Very low116 Ų116126.9 Ų126.975%0.75378%0.779SS**  cis-122.4165.8-28.137.9-25.7000111.7
356V28.8Very low33.5Very low140 Ų140127.7 Ų127.785%0.84878%0.778SS**  trans-155.8140.1155.2-1080000114.1
357S28.1Very low33.5Very low108 Ų108131.7 Ų131.776%0.75579%0.785SS**  trans32.3128141.4-50.80000122
358A31.9Very low33.6Very low94 Ų94129.2 Ų129.278%0.77778%0.78SS**  trans-65.8162.7151.100000111.3
359P40.2Very low33.9Very low118 Ų118123.3 Ų123.377%0.76678%0.775SS**  -133.2177.310539.3-32.3000114.4
360S26.3Very low34.2Very low108 Ų108126.4 Ų126.476%0.75578%0.778SS**  trans-56.7169.1160.755.70000112
361S27.1Very low34.7Very low93 Ų93129.8 Ų129.865%0.6578%0.783SS**  cis-173.4156.738.758.40000114.2
362E32Very low35.3Very low166 Ų166133.3 Ų133.378%0.77679%0.788SS**  trans59172.5159.2-44.2-47.57600121.7
363E29.4Very low35.9Very low170 Ų170130.3 Ų130.379%0.79478%0.784SS**  trans69.182.2162.5-58.8-56.98100121.6
364A35.6Very low36.6Very low85 Ų85127.9 Ų127.970%0.70278%0.782SS**  38.6113.5121.100000120.8
365S29.2Very low37.6Very low117 Ų117128.4 Ų128.482%0.81878%0.776SS**  trans-158.8150.4132.2-91.90000113.2
366N38.3Very low37.7Very low158 Ų158129.3 Ų129.385%0.84578%0.775SS**  trans-65.2137.4172.5-70-80.5000110.9
367Q38.7Very low39.3Very low187 Ų187125.6 Ų125.687%0.87475%0.754SS**  trans-157117.5154.8-116.3150.9103.300111.5
368S37.2Very low41.5Very low104 Ų104123.3 Ų123.373%0.72773%0.733SS**PPolyproline II helixtrans-73.1136.9178.3-49.10000110.8L370S368-L370 PolarHBondContact O-N 3.44Å
369P46.4Very low43.6Very low130 Ų130122.3 Ų122.384%0.84471%0.714SS**PPolyproline II helixtrans-62.1128.7162.227.5-32.1000108.8
370L39.5Very low45.3Very low157 Ų157116.8 Ų116.882%0.82268%0.679SS**PPolyproline II helixtrans-62.2152-164.7-66.2166.8000113.7S368 L372S368-L370 PolarHBondContact O-N 3.44Å; L370-L372 PolarHBondContact O-N 3.08Å
371N43.1Very low47.4Very low165 Ų165116.3 Ų116.388%0.88267%0.671SS**  trans-62.1103.2165.2-101.8-99.1000109.8
372L43.5Very low49.1Very low169 Ų169116.9 Ų116.989%0.88567%0.665SS**  trans-91.2110.9153.2-77.3157000106.4L370L370-L372 PolarHBondContact O-N 3.08Å
373S43.3Very low50.8Low92 Ų92111.5 Ų111.564%0.64365%0.645SS**  trans-60.8154.817950.40000110.8V375S373-V375 PolarHBondContact O-N 3.05Å
374P47.5Very low52.6Low117 Ų117105.5 Ų105.576%0.7663%0.629SS**  trans-59.1106.4174.4-22.634000110.2D376P374-D376 PolarHBondContact O-N 2.75Å
375V51.8Low54.1Low103 Ų103106 Ų10662%0.62462%0.617SS**  trans-60117.8158.3175.70000105.5S373 C377S373-V375 PolarHBondContact O-N 3.05Å; V375-C377 PolarHBondContact O-N 2.95Å; V375-C377 PolarHBondContact O-SG 3.02Å
376D54.6Low55.9Low134 Ų134102.6 Ų102.672%0.71759%0.593SS**  trans-65.780.3-176.2-87.3-48.8000110.9P374 L378P374-D376 PolarHBondContact O-N 2.75Å; D376-L378 PolarHBondContact O-N 3.32Å
377C62.2Low57.7Low62 Ų6296.9 Ų96.942%0.41956%0.56SS.*  trans-70.192.5179.1-78.60000109.2V375 L379V375-C377 PolarHBondContact O-N 2.95Å; V375-C377 PolarHBondContact O-SG 3.02Å; C377-L379 PolarHBondContact O-N 2.97Å
378L73.6Confident59.6Low60 Ų6094.1 Ų94.131%0.31456%0.557SS.*EExtended strand (participates in β ladder)trans-70.1102.3-175.2-68.7174.7000110.3D376 F387 R390D376-L378 PolarHBondContact O-N 3.32Å; L378-F387 PolarHBondContact N-O 3.06Å; L378-F387 PolarHBondContact O-N 2.88Å; L378-F387 VanDerWaalsContact O-N 3.09Å; L378-R390 HydrophobicContact CD1-CB 3.47Å; L378-R390 VanDerWaalsContact CD1-CB 3.47Å; L378-R390 HydrophobicContact CD1-CG 3.96Å
379L76Confident61.4Low73 Ų7392 Ų9238%0.38254%0.542SS..EExtended strand (participates in β ladder)trans-74.1124.5-176.6-67.4165000111C377 T381 G384 E385 Q393C377-L379 PolarHBondContact O-N 2.97Å; L379-T381 PolarHBondContact O-N 3.07Å; L379-G384 WeakPolarHBondContact CD2-O 3.23Å; L379-E385 CarbonylContact C-O 3.57Å; L379-E385 WeakPolarHBondContact CA-O 3.37Å; L379-Q393 VanDerWaalsContact C-NE2 3.35Å; L379-Q393 PolarHBondContact O-NE2 3Å
380C75.5Confident62.8Low3 Ų393.5 Ų93.52%0.0253%0.531CS..  trans-52.1118.2164.2162.40000110.2M382 C383 G384 E385 F387C380-M382 PolarHBondContact O-N 3.28Å; C380-C383 HydrophobicContact CB-CB 4.4Å; C380-C383 WeakPolarHBondContact CB-SG 3.04Å; C380-C383 WeakPolarHBondContact SG-CB 3.44Å; C380-C383 PolarHBondContact SG-N 3.4Å; C380-C383 CovalentContact SG-SG 2.04Å; C380-C383 PolarHBondContact SG-SG 3.27Å; C380-G384 VanDerWaalsContact O-CA 3.31Å; C380-G384 WeakPolarHBondContact O-CA 3.19Å; C380-G384 PolarHBondContact O-N 2.88Å; C380-E385 HydrophobicContact CB-CB 4.19Å; C380-E385 WeakPolarHBondContact CB-O 3.37Å; C380-E385 PolarHBondContact N-O 3.29Å; C380-F387 HydrophobicContact CB-CE2 3.96Å
381T70.8Confident64.4Low97 Ų9788.4 Ų88.460%0.59551%0.512SS*.THydrogen-bonded Turntrans-67.1-20.6-172.349.10000114.3L379L379-T381 PolarHBondContact O-N 3.07Å
382M63.7Low66Low106 Ų10681.5 Ų81.552%0.52248%0.479SS..THydrogen-bonded Turntrans-104.1-26.9-176.1-53.6-48-56.500113.7C380C380-M382 PolarHBondContact O-N 3.28Å
383C67.8Low67.9Low52 Ų5274.7 Ų74.735%0.35144%0.443SS..THydrogen-bonded Turntrans-118.7-18.6-173.469.70000114.1C380 E385 H396C380-C383 HydrophobicContact CB-CB 4.4Å; C380-C383 WeakPolarHBondContact CB-SG 3.04Å; C380-C383 WeakPolarHBondContact SG-CB 3.44Å; C380-C383 PolarHBondContact SG-N 3.4Å; C380-C383 CovalentContact SG-SG 2.04Å; C380-C383 PolarHBondContact SG-SG 3.27Å; C383-E385 VanDerWaalsContact C-N 3.28Å; C383-E385 PolarHBondContact O-N 2.85Å; C383-H396 VanDerWaalsContact SG-CE1 3.56Å; C383-H396 PolarHBondContact SG-NE2 3.26Å
384G66.1Low69.3Low45 Ų4573 Ų7346%0.46443%0.425SS..  trans78.60.7179.400000115.7L379 C380 S386L379-G384 WeakPolarHBondContact CD2-O 3.23Å; C380-G384 VanDerWaalsContact O-CA 3.31Å; C380-G384 WeakPolarHBondContact O-CA 3.19Å; C380-G384 PolarHBondContact O-N 2.88Å; G384-S386 PolarHBondContact O-N 3.11Å
385E68.3Low70.7Confident96 Ų9674.6 Ų74.645%0.44942%0.416SS..  trans-60.2130.9173.9-70.6176.1-152.600111.2L379 C380 C383 F387 H396L379-E385 CarbonylContact C-O 3.57Å; L379-E385 WeakPolarHBondContact CA-O 3.37Å; C380-E385 HydrophobicContact CB-CB 4.19Å; C380-E385 WeakPolarHBondContact CB-O 3.37Å; C380-E385 PolarHBondContact N-O 3.29Å; C383-E385 VanDerWaalsContact C-N 3.28Å; C383-E385 PolarHBondContact O-N 2.85Å; E385-F387 HydrophobicContact CB-CE2 3.59Å; E385-F387 HydrophobicContact CB-CZ 3.88Å; E385-F387 WeakPolarHBondContact O-CD2 3.46Å; E385-F387 WeakPolarHBondContact O-CE2 3.38Å; E385-F387 WeakPolarHBondContact OE2-CZ 3.14Å; E385-H396 VanDerWaalsContact CD-CE1 3.42Å; E385-H396 IonicContact OE1-CE1 3.66Å; E385-H396 PolarHBondContact OE1-CE1 2.97Å; E385-H396 IonicContact OE2-CE1 3.85Å; E385-H396 PolarHBondContact OE2-CE1 2.79Å; E385-H396 IonicContact OE2-ND1 3.11Å; E385-H396 PolarHBondContact OE2-ND1 3.36Å
386S66.9Low72Confident44 Ų4470.7 Ų70.731%0.30839%0.391SS..EExtended strand (participates in β ladder)trans-91.5123.3179.349.80000111.3L333 G384L333-S386 WeakPolarHBondContact CD1-OG 3.34Å; G384-S386 PolarHBondContact O-N 3.11Å
387F75.9Confident73Confident38 Ų3865.6 Ų65.617%0.16736%0.364CS..EExtended strand (participates in β ladder)trans-108.2136.4177.1-64.4-88.7000111.5L378 C380 E385 S389 Q393 H396L378-F387 PolarHBondContact N-O 3.06Å; L378-F387 PolarHBondContact O-N 2.88Å; L378-F387 VanDerWaalsContact O-N 3.09Å; C380-F387 HydrophobicContact CB-CE2 3.96Å; E385-F387 HydrophobicContact CB-CE2 3.59Å; E385-F387 HydrophobicContact CB-CZ 3.88Å; E385-F387 WeakPolarHBondContact O-CD2 3.46Å; E385-F387 WeakPolarHBondContact O-CE2 3.38Å; E385-F387 WeakPolarHBondContact OE2-CZ 3.14Å; F387-S389 PolarHBondContact O-N 2.86Å; F387-Q393 HydrophobicContact CB-CB 3.9Å; F387-Q393 HydrophobicContact CD2-CB 3.79Å; F387-Q393 HydrophobicContact CD2-CG 3.88Å; F387-Q393 HydrophobicContact CG-CB 3.86Å; F387-Q393 HydrophobicContact CG-CG 4.45Å; F387-H396 HydrophobicContact CE1-CB 3.74Å; F387-H396 HydrophobicContact CE2-CB 4.11Å; F387-H396 AromaticContact CE2-CG 4Å; F387-H396 HydrophobicContact CZ-CB 3.4Å; F387-H396 AromaticContact CZ-CG 3.41Å; F387-H396 VanDerWaalsContact CZ-CG 3.41Å; F387-H396 AromaticContact CZ-ND1 3.54Å
388T77.5Confident73.5Confident129 Ų12969 Ų6979%0.79137%0.368SS*.SBendtrans-72.8-5.5172.450.60000113.4
389S76.4Confident73.4Confident61 Ų6172.2 Ų72.243%0.42738%0.384SS..SBendtrans-152.2139.5178.7175.90000111.7F387 A391 G392 Q393F387-S389 PolarHBondContact O-N 2.86Å; S389-A391 VanDerWaalsContact C-N 3.27Å; S389-A391 PolarHBondContact O-N 3.24Å; S389-A391 PolarHBondContact OG-N 3.3Å; S389-G392 WeakPolarHBondContact O-CA 3.43Å; S389-G392 PolarHBondContact O-N 3.04Å; S389-Q393 PolarHBondContact O-N 2.93Å
390R74.6Confident72.9Confident160 Ų16074.7 Ų74.760%0.60440%0.395SS*.Hα-helixtrans-57.1-39.5175.7-169.8177.8176.1125.73.1112.5L378 G392 Q393 E394L378-R390 HydrophobicContact CD1-CB 3.47Å; L378-R390 VanDerWaalsContact CD1-CB 3.47Å; L378-R390 HydrophobicContact CD1-CG 3.96Å; R390-G392 PolarHBondContact O-N 3.25Å; R390-Q393 WeakPolarHBondContact O-CB 3.48Å; R390-Q393 PolarHBondContact O-N 2.97Å; R390-E394 HydrophobicContact CG-CG 4.33Å; R390-E394 IonicContact CZ-OE1 3.52Å; R390-E394 IonicContact NE-OE1 3.23Å; R390-E394 PolarHBondContact NE-OE1 3.18Å; R390-E394 IonicContact NH2-OE1 3.82Å; R390-E394 WeakPolarHBondContact O-CG 3.42Å; R390-E394 PolarHBondContact O-N 3.47Å
391A73.3Confident72.6Confident51 Ų5176.5 Ų76.542%0.42140%0.403SS..Hα-helixtrans-65.4-30.9177.800000112.2S389 R395S389-A391 VanDerWaalsContact C-N 3.27Å; S389-A391 PolarHBondContact O-N 3.24Å; S389-A391 PolarHBondContact OG-N 3.3Å; A391-R395 VanDerWaalsContact O-CB 3.24Å; A391-R395 WeakPolarHBondContact O-CB 3.47Å; A391-R395 PolarHBondContact O-N 3.14Å; A391-R395 VanDerWaalsContact O-N 3.1Å
392G76.7Confident72.2Confident20 Ų2075.9 Ų75.921%0.20640%0.401CS..Hα-helixtrans-68-50.8170.900000111.9S389 R390 E394 R395 H396S389-G392 WeakPolarHBondContact O-CA 3.43Å; S389-G392 PolarHBondContact O-N 3.04Å; R390-G392 PolarHBondContact O-N 3.25Å; G392-E394 PolarHBondContact O-N 3.11Å; G392-R395 PolarHBondContact O-N 3.38Å; G392-H396 PolarHBondContact O-N 3.35Å
393Q82.8Confident71.8Confident25 Ų2575 Ų7512%0.11741%0.406CS..Hα-helixtrans-54.9-51.8176-170-162.528.400111.5L379 F387 S389 R390 R395 H396 L397L379-Q393 VanDerWaalsContact C-NE2 3.35Å; L379-Q393 PolarHBondContact O-NE2 3Å; F387-Q393 HydrophobicContact CB-CB 3.9Å; F387-Q393 HydrophobicContact CD2-CB 3.79Å; F387-Q393 HydrophobicContact CD2-CG 3.88Å; F387-Q393 HydrophobicContact CG-CB 3.86Å; F387-Q393 HydrophobicContact CG-CG 4.45Å; S389-Q393 PolarHBondContact O-N 2.93Å; R390-Q393 WeakPolarHBondContact O-CB 3.48Å; R390-Q393 PolarHBondContact O-N 2.97Å; Q393-R395 VanDerWaalsContact C-N 3.33Å; Q393-R395 PolarHBondContact O-N 3.47Å; Q393-H396 WeakPolarHBondContact O-CB 3.4Å; Q393-H396 PolarHBondContact O-N 3.01Å; Q393-L397 HydrophobicContact CG-CD1 4.32Å; Q393-L397 VanDerWaalsContact O-CG 3.31Å; Q393-L397 WeakPolarHBondContact O-CG 3.34Å; Q393-L397 PolarHBondContact O-N 3.36Å
394E74.5Confident71.5Confident58 Ų5876.6 Ų76.627%0.27141%0.408SS..Hα-helixtrans-67.4-32-179.4-68.8-177.5-165.700112.8R390 G392 L397 R398R390-E394 HydrophobicContact CG-CG 4.33Å; R390-E394 IonicContact CZ-OE1 3.52Å; R390-E394 IonicContact NE-OE1 3.23Å; R390-E394 PolarHBondContact NE-OE1 3.18Å; R390-E394 IonicContact NH2-OE1 3.82Å; R390-E394 WeakPolarHBondContact O-CG 3.42Å; R390-E394 PolarHBondContact O-N 3.47Å; G392-E394 PolarHBondContact O-N 3.11Å; E394-L397 PolarHBondContact O-N 3.07Å; E394-R398 VanDerWaalsContact CB-NH2 3.31Å; E394-R398 WeakPolarHBondContact O-CB 3.48Å; E394-R398 VanDerWaalsContact O-CG 3.32Å; E394-R398 WeakPolarHBondContact O-CG 3.17Å; E394-R398 PolarHBondContact O-N 2.96Å; E394-R398 PolarHBondContact O-NE 3.31Å; E394-R398 IonicContact OE2-CZ 3.99Å; E394-R398 IonicContact OE2-NH1 3.38Å; E394-R398 PolarHBondContact OE2-NH1 3.36Å; E394-R398 VanDerWaalsContact OE2-NH1 3.11Å; E394-R398 IonicContact OE2-NH2 2.81Å
395R76.9Confident71.8Confident149 Ų14976.4 Ų76.456%0.56240%0.396SS*.Hα-helixtrans-66.8-44.8171.8-172.5-173.8-62.9118.3-2.5111A391 G392 Q393 R398 L399A391-R395 VanDerWaalsContact O-CB 3.24Å; A391-R395 WeakPolarHBondContact O-CB 3.47Å; A391-R395 PolarHBondContact O-N 3.14Å; A391-R395 VanDerWaalsContact O-N 3.1Å; G392-R395 PolarHBondContact O-N 3.38Å; Q393-R395 VanDerWaalsContact C-N 3.33Å; Q393-R395 PolarHBondContact O-N 3.47Å; R395-R398 PolarHBondContact O-N 3.01Å; R395-L399 HydrophobicContact CG-CD1 3.92Å; R395-L399 HydrophobicContact CG-CG 4.5Å; R395-L399 WeakPolarHBondContact O-CG 3.35Å; R395-L399 PolarHBondContact O-N 2.79Å
396H78.9Confident72.3Confident21 Ų2175.1 Ų75.110%0.09739%0.387CS..Hα-helixtrans-56.2-50.9172.1165.8105000110.4C383 E385 F387 G392 Q393 R398 L399 M400 H401C383-H396 VanDerWaalsContact SG-CE1 3.56Å; C383-H396 PolarHBondContact SG-NE2 3.26Å; E385-H396 VanDerWaalsContact CD-CE1 3.42Å; E385-H396 IonicContact OE1-CE1 3.66Å; E385-H396 PolarHBondContact OE1-CE1 2.97Å; E385-H396 IonicContact OE2-CE1 3.85Å; E385-H396 PolarHBondContact OE2-CE1 2.79Å; E385-H396 IonicContact OE2-ND1 3.11Å; E385-H396 PolarHBondContact OE2-ND1 3.36Å; F387-H396 HydrophobicContact CE1-CB 3.74Å; F387-H396 HydrophobicContact CE2-CB 4.11Å; F387-H396 AromaticContact CE2-CG 4Å; F387-H396 HydrophobicContact CZ-CB 3.4Å; F387-H396 AromaticContact CZ-CG 3.41Å; F387-H396 VanDerWaalsContact CZ-CG 3.41Å; F387-H396 AromaticContact CZ-ND1 3.54Å; G392-H396 PolarHBondContact O-N 3.35Å; Q393-H396 WeakPolarHBondContact O-CB 3.4Å; Q393-H396 PolarHBondContact O-N 3.01Å; H396-R398 VanDerWaalsContact C-N 3.31Å; H396-R398 PolarHBondContact O-N 3.04Å; H396-L399 PolarHBondContact O-N 2.94Å; H396-L399 VanDerWaalsContact O-N 3.13Å; H396-M400 WeakPolarHBondContact O-CB 3.49Å; H396-M400 PolarHBondContact O-N 3.35Å; H396-H401 AromaticContact NE2-NE2 3.77Å
397L74Confident73Confident28 Ų2876.7 Ų76.715%0.14740%0.397CS..Hα-helixtrans-59.8-42-178.2-67.7172.6000111.3Q393 E394 L399 H401 I405Q393-L397 HydrophobicContact CG-CD1 4.32Å; Q393-L397 VanDerWaalsContact O-CG 3.31Å; Q393-L397 WeakPolarHBondContact O-CG 3.34Å; Q393-L397 PolarHBondContact O-N 3.36Å; E394-L397 PolarHBondContact O-N 3.07Å; L397-L399 PolarHBondContact O-N 3.35Å; L397-H401 CarbonylContact O-C 3.46Å; L397-H401 VanDerWaalsContact O-CA 3.27Å; L397-H401 WeakPolarHBondContact O-CA 3.4Å; L397-H401 WeakPolarHBondContact O-CB 3.31Å; L397-H401 PolarHBondContact O-N 3.48Å; L397-I405 HydrophobicContact CB-CD1 3.82Å; L397-I405 HydrophobicContact CB-CG1 4.49Å
398R73.1Confident73.4Confident134 Ų13475.5 Ų75.551%0.50639%0.393SS..Hα-helixtrans-66.4-30.4177.1-75.9-178.1-71.7-106.6-1.5114.2E394 R395 H396 P402 I405E394-R398 VanDerWaalsContact CB-NH2 3.31Å; E394-R398 WeakPolarHBondContact O-CB 3.48Å; E394-R398 VanDerWaalsContact O-CG 3.32Å; E394-R398 WeakPolarHBondContact O-CG 3.17Å; E394-R398 PolarHBondContact O-N 2.96Å; E394-R398 PolarHBondContact O-NE 3.31Å; E394-R398 IonicContact OE2-CZ 3.99Å; E394-R398 IonicContact OE2-NH1 3.38Å; E394-R398 PolarHBondContact OE2-NH1 3.36Å; E394-R398 VanDerWaalsContact OE2-NH1 3.11Å; E394-R398 IonicContact OE2-NH2 2.81Å; R395-R398 PolarHBondContact O-N 3.01Å; H396-R398 VanDerWaalsContact C-N 3.31Å; H396-R398 PolarHBondContact O-N 3.04Å; R398-P402 WeakPolarHBondContact O-CB 3.42Å; R398-I405 HydrophobicContact CG-CD1 3.95Å
399L71.3Confident73.6Confident127 Ų12778.2 Ų78.267%0.66539%0.393SS*.Hα-helixtrans-96.2-39.9-177.1-65.2177.4000113.6R395 H396 L397 P402R395-L399 HydrophobicContact CG-CD1 3.92Å; R395-L399 HydrophobicContact CG-CG 4.5Å; R395-L399 WeakPolarHBondContact O-CG 3.35Å; R395-L399 PolarHBondContact O-N 2.79Å; H396-L399 PolarHBondContact O-N 2.94Å; H396-L399 VanDerWaalsContact O-N 3.13Å; L397-L399 PolarHBondContact O-N 3.35Å; L399-P402 WeakPolarHBondContact O-CD 2.96Å
400M67.1Low73.8Confident125 Ų12579.5 Ų79.562%0.61639%0.39SS*.Hα-helixtrans-94.9-24.2-175.9-56.5-56.3-70.100112.9H396H396-M400 WeakPolarHBondContact O-CB 3.49Å; H396-M400 PolarHBondContact O-N 3.35Å
401H69Low74.1Confident40 Ų4073.8 Ų73.819%0.18537%0.374CS..  trans-126.938.4178.9-57.6-21000114.4H396 L397 S403 Q404 I405H396-H401 AromaticContact NE2-NE2 3.77Å; L397-H401 CarbonylContact O-C 3.46Å; L397-H401 VanDerWaalsContact O-CA 3.27Å; L397-H401 WeakPolarHBondContact O-CA 3.4Å; L397-H401 WeakPolarHBondContact O-CB 3.31Å; L397-H401 PolarHBondContact O-N 3.48Å; H401-S403 PolarHBondContact O-N 3.49Å; H401-S403 VanDerWaalsContact O-N 3.09Å; H401-Q404 HydrophobicContact CB-CB 4.46Å; H401-Q404 PolarHBondContact O-N 3.18Å; H401-I405 PolarHBondContact O-N 2.77Å
402P61.4Low74.2Confident85 Ų8577.7 Ų77.755%0.55240%0.395SS*.THydrogen-bonded Turntrans-59.4-26.8-178.325.3-34.7000113.2R398 L399 Q404R398-P402 WeakPolarHBondContact O-CB 3.42Å; L399-P402 WeakPolarHBondContact O-CD 2.96Å; P402-Q404 VanDerWaalsContact C-N 3.31Å; P402-Q404 PolarHBondContact O-N 3.16Å
403S56.3Low74.1Confident88 Ų8878.2 Ų78.262%0.61540%0.397SS*.THydrogen-bonded Turntrans-82.21177.953.90000114.8H401H401-S403 PolarHBondContact O-N 3.49Å; H401-S403 VanDerWaalsContact O-N 3.09Å
404Q60.7Low74.1Confident84 Ų8481.5 Ų81.539%0.39342%0.419SS..THydrogen-bonded Turntrans-128.9-1.9-178.3-61.1-63.3-23.600114.1H401 P402 Y406 P416H401-Q404 HydrophobicContact CB-CB 4.46Å; H401-Q404 PolarHBondContact O-N 3.18Å; P402-Q404 VanDerWaalsContact C-N 3.31Å; P402-Q404 PolarHBondContact O-N 3.16Å; Q404-Y406 VanDerWaalsContact O-CD2 3.27Å; Q404-Y406 WeakPolarHBondContact O-CD2 3.19Å; Q404-Y406 WeakPolarHBondContact O-CE2 3.37Å; Q404-P416 CarbonylContact O-C 3.15Å; Q404-P416 VanDerWaalsContact O-C 3.29Å; Q404-P416 WeakPolarHBondContact O-CA 3.35Å
405I72.6Confident74.3Confident42 Ų4280.8 Ų80.822%0.21542%0.417CS..  trans-89121.6165.1-57.2169.8000108.5L397 R398 H401 P407 T414L397-I405 HydrophobicContact CB-CD1 3.82Å; L397-I405 HydrophobicContact CB-CG1 4.49Å; R398-I405 HydrophobicContact CG-CD1 3.95Å; H401-I405 PolarHBondContact O-N 2.77Å; I405-P407 VanDerWaalsContact O-CD 3.27Å; I405-P407 WeakPolarHBondContact O-CD 3.41Å; I405-T414 HydrophobicContact CG2-CG2 4.1Å
406Y79.3Confident74Confident68 Ų6876.9 Ų76.927%0.26741%0.411SS..EExtended strand (participates in β ladder)trans-108.295.3177.8-63.4-87.2000108.7Q404 L415Q404-Y406 VanDerWaalsContact O-CD2 3.27Å; Q404-Y406 WeakPolarHBondContact O-CD2 3.19Å; Q404-Y406 WeakPolarHBondContact O-CE2 3.37Å; Y406-L415 WeakPolarHBondContact CB-O 3.47Å; Y406-L415 PolarHBondContact N-O 2.75Å; Y406-L415 PolarHBondContact O-N 3.35Å
407P80.6Confident73.9Confident78 Ų7878.3 Ų78.351%0.50642%0.423SS..EExtended strand (participates in β ladder)trans-68.8140.6174.628.7-34.2000110.7I405 T414 L421I405-P407 VanDerWaalsContact O-CD 3.27Å; I405-P407 WeakPolarHBondContact O-CD 3.41Å; P407-T414 HydrophobicContact CB-CG2 4.19Å; P407-L421 WeakPolarHBondContact O-CD2 3.21Å
408C84.3Confident74.1Confident12 Ų1279.3 Ų79.38%0.08143%0.433CS..  trans-70.1141.7166-166.60000109.8Y410 A413 L421C408-Y410 VanDerWaalsContact C-N 3.28Å; C408-A413 HydrophobicContact CB-CB 4.45Å; C408-A413 PolarHBondContact N-O 2.84Å; C408-L421 HydrophobicContact CB-CD1 3.84Å
409K81.1Confident74.4Confident186 Ų18677.3 Ų77.381%0.80944%0.437SS*.SBendtrans-80.6-12.1176.8-66.7-172176-174.10113.2
410Y80.9Confident74.7Confident89 Ų8972.6 Ų72.635%0.34942%0.419SS..SBendtrans-121.3-6-165-50.2-69000113C408 H429 E432C408-Y410 VanDerWaalsContact C-N 3.28Å; Y410-H429 WeakPolarHBondContact CB-CE1 3.36Å; Y410-H429 WeakPolarHBondContact CB-ND1 3.06Å; Y410-H429 HydrophobicContact CD2-CB 4.38Å; Y410-H429 PolarHBondContact O-CE1 3.12Å; Y410-E432 HydrophobicContact CD1-CB 4.39Å; Y410-E432 HydrophobicContact CD1-CG 4.01Å; Y410-E432 WeakPolarHBondContact CD1-OE1 3.5Å; Y410-E432 HydrophobicContact CD2-CB 4.35Å; Y410-E432 HydrophobicContact CE1-CB 3.99Å; Y410-E432 HydrophobicContact CE1-CG 3.85Å; Y410-E432 HydrophobicContact CE2-CB 3.96Å; Y410-E432 HydrophobicContact CG-CG 4.44Å
411C81.1Confident75.5Confident39 Ų3967.9 Ų67.926%0.26440%0.396SS..SBendtrans-159.1163.6173.571.70000109.8A413 H424 H429C411-A413 PolarHBondContact O-N 2.84Å; C411-H424 PolarHBondContact SG-NE2 2.99Å; C411-H429 PolarHBondContact SG-NE2 3.09Å; C411-H429 VanDerWaalsContact SG-NE2 3.37Å
412P76Confident76.1Confident133 Ų13369.5 Ų69.586%0.86441%0.409SS*.SBendtrans-72.611.5-176.529.9-36.6000115.1T414P412-T414 PolarHBondContact O-N 2.96Å
413A75Confident77.1Confident32 Ų3275 Ų7526%0.26442%0.419SS..  trans-70.9127.1179.800000111.7C408 C411C408-A413 HydrophobicContact CB-CB 4.45Å; C408-A413 PolarHBondContact N-O 2.84Å; C411-A413 PolarHBondContact O-N 2.84Å
414T81Confident78.4Confident93 Ų9372.5 Ų72.557%0.57140%0.397SS*.EExtended strand (participates in β ladder)trans-111130.9172.750.90000109.9I405 P407 P412I405-T414 HydrophobicContact CG2-CG2 4.1Å; P407-T414 HydrophobicContact CB-CG2 4.19Å; P412-T414 PolarHBondContact O-N 2.96Å
415L78.9Confident79.6Confident44 Ų4469.8 Ų69.823%0.2339%0.385CS..EExtended strand (participates in β ladder)trans-126.7134.9-169.5-71.7167000111.8Y406 S417 L421 H424Y406-L415 WeakPolarHBondContact CB-O 3.47Å; Y406-L415 PolarHBondContact N-O 2.75Å; Y406-L415 PolarHBondContact O-N 3.35Å; L415-S417 PolarHBondContact O-N 2.85Å; L415-L421 HydrophobicContact CB-CB 4.49Å; L415-L421 HydrophobicContact CD1-CB 4.3Å; L415-L421 HydrophobicContact CD1-CD1 4.08Å; L415-H424 HydrophobicContact CD1-CB 3.32Å
416P71.4Confident80Confident66 Ų6671.8 Ų71.843%0.42940%0.397SS..SBendtrans-80.920-170.734.7-38.6000114Q404Q404-P416 CarbonylContact O-C 3.15Å; Q404-P416 VanDerWaalsContact O-C 3.29Å; Q404-P416 WeakPolarHBondContact O-CA 3.35Å
417S76.1Confident80.1Confident51 Ų5176.9 Ų76.936%0.35742%0.42SS..SBendtrans-165.6135.5-176.8-168.30000111.9L415 G420 L421L415-S417 PolarHBondContact O-N 2.85Å; S417-G420 CarbonylContact O-C 3.07Å; S417-G420 VanDerWaalsContact O-CA 3.29Å; S417-G420 WeakPolarHBondContact O-CA 3.32Å; S417-G420 PolarHBondContact O-N 3.29Å; S417-L421 PolarHBondContact O-N 2.96Å
418S78.4Confident80Confident50 Ų5076.8 Ų76.835%0.3542%0.42SS..Hα-helixtrans-58.3-50.6177.5157.10000112.9G420 L421 T422S418-G420 PolarHBondContact O-N 2.8Å; S418-G420 VanDerWaalsContact O-N 3.17Å; S418-L421 PolarHBondContact O-N 3.36Å; S418-T422 PolarHBondContact O-N 2.61Å; S418-T422 PolarHBondContact O-OG1 2.96Å
419P79Confident79.9Confident91 Ų9177.2 Ų77.259%0.59142%0.421SS*.Hα-helixtrans-56-29.3169.8-28.835.6000114.6R423P419-R423 WeakPolarHBondContact O-CB 3.37Å; P419-R423 PolarHBondContact O-N 3.29Å
420G78.4Confident79.4Confident29 Ų2971.7 Ų71.730%0.29940%0.404SS..Hα-helixtrans-66.6-48.3172.300000111.9S417 S418 R423 H424S417-G420 CarbonylContact O-C 3.07Å; S417-G420 VanDerWaalsContact O-CA 3.29Å; S417-G420 WeakPolarHBondContact O-CA 3.32Å; S417-G420 PolarHBondContact O-N 3.29Å; S418-G420 PolarHBondContact O-N 2.8Å; S418-G420 VanDerWaalsContact O-N 3.17Å; G420-R423 PolarHBondContact O-N 2.97Å; G420-H424 WeakPolarHBondContact O-CB 3.14Å; G420-H424 PolarHBondContact O-N 3.22Å
421L83.9Confident78.8Confident26 Ų2670.8 Ų70.814%0.13641%0.411CS..Hα-helixtrans-60.4-46.5174178.161.7000111.7P407 C408 L415 S417 S418 R423 H424 I425P407-L421 WeakPolarHBondContact O-CD2 3.21Å; C408-L421 HydrophobicContact CB-CD1 3.84Å; L415-L421 HydrophobicContact CB-CB 4.49Å; L415-L421 HydrophobicContact CD1-CB 4.3Å; L415-L421 HydrophobicContact CD1-CD1 4.08Å; S417-L421 PolarHBondContact O-N 2.96Å; S418-L421 PolarHBondContact O-N 3.36Å; L421-R423 VanDerWaalsContact C-N 3.29Å; L421-R423 PolarHBondContact O-N 2.91Å; L421-H424 PolarHBondContact O-N 2.9Å; L421-H424 VanDerWaalsContact O-N 3.11Å; L421-I425 HydrophobicContact CD1-CD1 3.82Å; L421-I425 HydrophobicContact CD1-CG1 3.86Å; L421-I425 HydrophobicContact CD2-CD1 4.28Å; L421-I425 HydrophobicContact CG-CD1 3.77Å; L421-I425 HydrophobicContact CG-CG1 4.23Å; L421-I425 WeakPolarHBondContact O-CG1 3.29Å; L421-I425 PolarHBondContact O-N 3.17Å
422T81.1Confident78.1Confident73 Ų7371.3 Ų71.345%0.44841%0.41SS..Hα-helixtrans-59.6-39177.4-57.10000111.9S418 N426S418-T422 PolarHBondContact O-N 2.61Å; S418-T422 PolarHBondContact O-OG1 2.96Å; T422-N426 WeakPolarHBondContact O-CB 3.19Å; T422-N426 PolarHBondContact O-N 2.81Å; T422-N426 VanDerWaalsContact O-N 3.1Å; T422-N426 PolarHBondContact O-ND2 3.47Å
423R82.6Confident77.3Confident200 Ų20066.1 Ų66.176%0.75538%0.375SS*.Hα-helixtrans-67.6-40.4174.4-173.1-179.5-65.3-164.1-0.5112.2P419 G420 L421 N426 K427P419-R423 WeakPolarHBondContact O-CB 3.37Å; P419-R423 PolarHBondContact O-N 3.29Å; G420-R423 PolarHBondContact O-N 2.97Å; L421-R423 VanDerWaalsContact C-N 3.29Å; L421-R423 PolarHBondContact O-N 2.91Å; R423-N426 PolarHBondContact O-N 3.04Å; R423-K427 WeakPolarHBondContact O-CB 3.37Å; R423-K427 PolarHBondContact O-N 3.09Å; R423-K427 VanDerWaalsContact O-N 3.13Å
424H84.4Confident76.6Confident36 Ų3673.2 Ų73.217%0.16739%0.394CS..Hα-helixtrans-65-47176.6163.877.5000112C411 L415 G420 L421 N426 K427 C428 H429C411-H424 PolarHBondContact SG-NE2 2.99Å; L415-H424 HydrophobicContact CD1-CB 3.32Å; G420-H424 WeakPolarHBondContact O-CB 3.14Å; G420-H424 PolarHBondContact O-N 3.22Å; L421-H424 PolarHBondContact O-N 2.9Å; L421-H424 VanDerWaalsContact O-N 3.11Å; H424-N426 VanDerWaalsContact C-N 3.32Å; H424-N426 PolarHBondContact O-N 3.26Å; H424-K427 PolarHBondContact O-N 2.82Å; H424-C428 WeakPolarHBondContact O-CB 3.43Å; H424-C428 PolarHBondContact O-N 3.4Å; H424-H429 AromaticContact NE2-CD2 3.81Å; H424-H429 AromaticContact NE2-NE2 3.9Å
425I85.1Confident75.5Confident27 Ų2774.3 Ų74.314%0.13839%0.393CS..Hα-helixtrans-59.1-44.7176-65.1172.4000109.8L421 K427 H429 N433L421-I425 HydrophobicContact CD1-CD1 3.82Å; L421-I425 HydrophobicContact CD1-CG1 3.86Å; L421-I425 HydrophobicContact CD2-CD1 4.28Å; L421-I425 HydrophobicContact CG-CD1 3.77Å; L421-I425 HydrophobicContact CG-CG1 4.23Å; L421-I425 WeakPolarHBondContact O-CG1 3.29Å; L421-I425 PolarHBondContact O-N 3.17Å; I425-K427 PolarHBondContact O-N 3.06Å; I425-H429 HydrophobicContact CB-CB 4.49Å; I425-H429 HydrophobicContact CG2-CB 3.95Å; I425-H429 CarbonylContact O-C 3.54Å; I425-H429 WeakPolarHBondContact O-CA 3.37Å; I425-H429 WeakPolarHBondContact O-CB 3.24Å; I425-H429 PolarHBondContact O-N 2.97Å; I425-N433 HydrophobicContact CG2-CB 4.06Å
426N81.4Confident74.5Confident85 Ų8575.5 Ų75.546%0.45540%0.402SS..Hα-helixtrans-62.9-21.6175-84.7-73.5000114.9T422 R423 H424 N433T422-N426 WeakPolarHBondContact O-CB 3.19Å; T422-N426 PolarHBondContact O-N 2.81Å; T422-N426 VanDerWaalsContact O-N 3.1Å; T422-N426 PolarHBondContact O-ND2 3.47Å; R423-N426 PolarHBondContact O-N 3.04Å; H424-N426 VanDerWaalsContact C-N 3.32Å; H424-N426 PolarHBondContact O-N 3.26Å; N426-N433 PolarHBondContact OD1-OD1 3.45Å
427K81.4Confident73.9Confident175 Ų17577.4 Ų77.476%0.76141%0.408SS*.Hα-helixtrans-98.4-35.8-175.5-169.273.2176-178.20113.1R423 H424 I425R423-K427 WeakPolarHBondContact O-CB 3.37Å; R423-K427 PolarHBondContact O-N 3.09Å; R423-K427 VanDerWaalsContact O-N 3.13Å; H424-K427 PolarHBondContact O-N 2.82Å; I425-K427 PolarHBondContact O-N 3.06Å
428C79.3Confident72.9Confident75 Ų7581.5 Ų81.551%0.50743%0.425SS..Hα-helixtrans-110.5-23.5-174.2-61.30000113.1H424 P430H424-C428 WeakPolarHBondContact O-CB 3.43Å; H424-C428 PolarHBondContact O-N 3.4Å; C428-P430 WeakPolarHBondContact O-CD 3.15Å
429H80.6Confident71.8Confident21 Ų2186.4 Ų86.410%0.09745%0.446CS..  trans-12752.5-174.8-64.5-76.8000112.2Y410 C411 H424 I425 S431 E432 N433Y410-H429 WeakPolarHBondContact CB-CE1 3.36Å; Y410-H429 WeakPolarHBondContact CB-ND1 3.06Å; Y410-H429 HydrophobicContact CD2-CB 4.38Å; Y410-H429 PolarHBondContact O-CE1 3.12Å; C411-H429 PolarHBondContact SG-NE2 3.09Å; C411-H429 VanDerWaalsContact SG-NE2 3.37Å; H424-H429 AromaticContact NE2-CD2 3.81Å; H424-H429 AromaticContact NE2-NE2 3.9Å; I425-H429 HydrophobicContact CB-CB 4.49Å; I425-H429 HydrophobicContact CG2-CB 3.95Å; I425-H429 CarbonylContact O-C 3.54Å; I425-H429 WeakPolarHBondContact O-CA 3.37Å; I425-H429 WeakPolarHBondContact O-CB 3.24Å; I425-H429 PolarHBondContact O-N 2.97Å; H429-S431 VanDerWaalsContact C-N 3.26Å; H429-S431 PolarHBondContact O-N 3.43Å; H429-E432 HydrophobicContact CB-CB 4.48Å; H429-E432 VanDerWaalsContact CB-OE2 3.28Å; H429-E432 WeakPolarHBondContact CB-OE2 3.41Å; H429-E432 IonicContact CE1-OE2 2.58Å; H429-E432 IonicContact CG-OE2 2.77Å; H429-E432 IonicContact ND1-OE2 3.59Å; H429-E432 PolarHBondContact ND1-OE2 2.93Å; H429-E432 PolarHBondContact O-N 3.16Å; H429-N433 PolarHBondContact O-N 2.84Å; H429-N433 VanDerWaalsContact O-N 3.11Å
430P72.1Confident70.6Confident71 Ų7189.6 Ų89.646%0.46145%0.453SS..Hα-helixtrans-70.1-18.9-17230.9-37.7000113.9C428 R434C428-P430 WeakPolarHBondContact O-CD 3.15Å; P430-R434 WeakPolarHBondContact O-CD 3.33Å; P430-R434 WeakPolarHBondContact O-CG 3.41Å
431S66.9Low68.8Low70 Ų7095 Ų9549%0.4947%0.472SS..Hα-helixtrans-72.6-52.8172.541.30000111.3H429 N433 R434H429-S431 VanDerWaalsContact C-N 3.26Å; H429-S431 PolarHBondContact O-N 3.43Å; S431-N433 VanDerWaalsContact C-N 3.35Å; S431-N433 PolarHBondContact O-N 2.91Å; S431-R434 PolarHBondContact O-N 2.85Å
432E66.4Low67.1Low50 Ų5099 Ų9923%0.23450%0.5CS..Hα-helixtrans-69.5-32.6-175.7-67.9147.3141.300111.5Y410 H429 R434 Q435 V436Y410-E432 HydrophobicContact CD1-CB 4.39Å; Y410-E432 HydrophobicContact CD1-CG 4.01Å; Y410-E432 WeakPolarHBondContact CD1-OE1 3.5Å; Y410-E432 HydrophobicContact CD2-CB 4.35Å; Y410-E432 HydrophobicContact CE1-CB 3.99Å; Y410-E432 HydrophobicContact CE1-CG 3.85Å; Y410-E432 HydrophobicContact CE2-CB 3.96Å; Y410-E432 HydrophobicContact CG-CG 4.44Å; H429-E432 HydrophobicContact CB-CB 4.48Å; H429-E432 VanDerWaalsContact CB-OE2 3.28Å; H429-E432 WeakPolarHBondContact CB-OE2 3.41Å; H429-E432 IonicContact CE1-OE2 2.58Å; H429-E432 IonicContact CG-OE2 2.77Å; H429-E432 IonicContact ND1-OE2 3.59Å; H429-E432 PolarHBondContact ND1-OE2 2.93Å; H429-E432 PolarHBondContact O-N 3.16Å; E432-R434 PolarHBondContact O-N 2.75Å; E432-Q435 PolarHBondContact O-N 3.23Å; E432-V436 PolarHBondContact O-N 3.05Å
433N60.7Low65.6Low24 Ų24102 Ų10213%0.12852%0.518CS..Hα-helixtrans-62-40.2174.5-159.4-90.6000113I425 N426 H429 S431 Q435 V436 I437I425-N433 HydrophobicContact CG2-CB 4.06Å; N426-N433 PolarHBondContact OD1-OD1 3.45Å; H429-N433 PolarHBondContact O-N 2.84Å; H429-N433 VanDerWaalsContact O-N 3.11Å; S431-N433 VanDerWaalsContact C-N 3.35Å; S431-N433 PolarHBondContact O-N 2.91Å; N433-Q435 VanDerWaalsContact C-N 3.27Å; N433-Q435 PolarHBondContact O-N 3.46Å; N433-V436 PolarHBondContact O-N 3.22Å; N433-I437 PolarHBondContact O-N 2.7Å; N433-I437 VanDerWaalsContact O-N 3.12Å; N433-I437 WeakPolarHBondContact OD1-CD1 3.49Å
434R59.8Low63.9Low181 Ų181103.3 Ų103.368%0.68352%0.523SS*.Hα-helixtrans-61.5-36.5178.9-69.8169.6-178.8-155.8-1111.9P430 S431 E432 I437 L438P430-R434 WeakPolarHBondContact O-CD 3.33Å; P430-R434 WeakPolarHBondContact O-CG 3.41Å; S431-R434 PolarHBondContact O-N 2.85Å; E432-R434 PolarHBondContact O-N 2.75Å; R434-I437 PolarHBondContact O-N 3.33Å; R434-L438 WeakPolarHBondContact O-CG 3.41Å; R434-L438 PolarHBondContact O-N 3.43Å; R434-L438 VanDerWaalsContact O-N 3.09Å
435Q57.6Low62.2Low116 Ų116107.6 Ų107.654%0.54255%0.554SS.*Hα-helixtrans-65.7-43.2177.5-64168.6-13.300111.2E432 N433 I437 L438 L439E432-Q435 PolarHBondContact O-N 3.23Å; N433-Q435 VanDerWaalsContact C-N 3.27Å; N433-Q435 PolarHBondContact O-N 3.46Å; Q435-I437 PolarHBondContact O-N 3.29Å; Q435-L438 PolarHBondContact O-N 3.1Å; Q435-L439 WeakPolarHBondContact O-CB 3.49Å; Q435-L439 VanDerWaalsContact O-CG 3.29Å; Q435-L439 WeakPolarHBondContact O-CG 3.41Å; Q435-L439 PolarHBondContact O-N 3.06Å
436V58.2Low60.4Low69 Ų69111 Ų11142%0.41859%0.586SS.*Hα-helixtrans-63.4-40.5177.1179.10000111.8E432 N433 L439 Q440E432-V436 PolarHBondContact O-N 3.05Å; N433-V436 PolarHBondContact O-N 3.22Å; V436-L439 PolarHBondContact O-N 2.93Å; V436-Q440 PolarHBondContact O-N 2.83Å
437I57.3Low58.7Low106 Ų106116.7 Ų116.754%0.54463%0.63SS.*Hα-helixtrans-64.4-43.8177.2-67.1171.9000111.3N433 R434 Q435 L439 Q440N433-I437 PolarHBondContact O-N 2.7Å; N433-I437 VanDerWaalsContact O-N 3.12Å; N433-I437 WeakPolarHBondContact OD1-CD1 3.49Å; R434-I437 PolarHBondContact O-N 3.33Å; Q435-I437 PolarHBondContact O-N 3.29Å; I437-L439 VanDerWaalsContact C-N 3.32Å; I437-L439 PolarHBondContact O-N 3.2Å; I437-Q440 PolarHBondContact O-N 3.13Å
438L55.5Low57.6Low137 Ų137113.8 Ų113.872%0.71762%0.624SS**Hα-helixtrans-64.5-35178.2-72.4167.6000112.6R434 Q435 Q440R434-L438 WeakPolarHBondContact O-CG 3.41Å; R434-L438 PolarHBondContact O-N 3.43Å; R434-L438 VanDerWaalsContact O-N 3.09Å; Q435-L438 PolarHBondContact O-N 3.1Å; L438-Q440 VanDerWaalsContact C-N 3.33Å; L438-Q440 PolarHBondContact O-N 3.11Å
439L56.3Low56.4Low153 Ų153115.8 Ų115.880%0.80163%0.63SS**Hα-helixtrans-77.1-13.6178.7-70.6168.4000114.2Q435 V436 I437Q435-L439 WeakPolarHBondContact O-CB 3.49Å; Q435-L439 VanDerWaalsContact O-CG 3.29Å; Q435-L439 WeakPolarHBondContact O-CG 3.41Å; Q435-L439 PolarHBondContact O-N 3.06Å; V436-L439 PolarHBondContact O-N 2.93Å; I437-L439 VanDerWaalsContact C-N 3.32Å; I437-L439 PolarHBondContact O-N 3.2Å
440Q53.6Low55.1Low158 Ų158121.1 Ų121.174%0.73866%0.66SS**THydrogen-bonded Turntrans-106.619.7-177-163.113754.100113.9V436 I437 L438 P442V436-Q440 PolarHBondContact O-N 2.83Å; I437-Q440 PolarHBondContact O-N 3.13Å; L438-Q440 VanDerWaalsContact C-N 3.33Å; L438-Q440 PolarHBondContact O-N 3.11Å; Q440-P442 VanDerWaalsContact O-CD 3.25Å; Q440-P442 WeakPolarHBondContact O-CD 3.32Å
441M41.2Very low54.1Low141 Ų141124.1 Ų124.170%0.69567%0.671SS**  trans-86.9107.4165.9-74.6-95.164.700110.2V443M441-V443 PolarHBondContact O-N 2.82Å; M441-V443 VanDerWaalsContact O-N 3.09Å
442P46.8Very low53.3Low112 Ų112127.4 Ų127.473%0.72768%0.683SS**  trans-69.8109175.628.4-33.8000110Q440 R444Q440-P442 VanDerWaalsContact O-CD 3.25Å; Q440-P442 WeakPolarHBondContact O-CD 3.32Å; P442-R444 PolarHBondContact O-N 3.21Å; P442-R444 VanDerWaalsContact O-N 3.14Å
443V50.7Low52.4Low136 Ų136132.6 Ų132.682%0.82471%0.713SS**  trans-60.1115.4168.2-179.30000107.7M441 P445M441-V443 PolarHBondContact O-N 2.82Å; M441-V443 VanDerWaalsContact O-N 3.09Å; V443-P445 WeakPolarHBondContact O-CD 3.34Å
444R46.3Very low51.8Low227 Ų227140.4 Ų140.486%0.85775%0.754SS**  trans-66.2123.7172-75.1-177.6170.3-174.4-4.1108.3P442 A446P442-R444 PolarHBondContact O-N 3.21Å; P442-R444 VanDerWaalsContact O-N 3.14Å; R444-A446 PolarHBondContact O-N 3.25Å
445P49.4Very low51.2Low125 Ų125137.2 Ų137.281%0.81276%0.76SS**  trans-63.7129.8166.428.1-32.5000108.3V443V443-P445 WeakPolarHBondContact O-CD 3.34Å
446A46.3Very low50.7Low98 Ų98139 Ų13981%0.8178%0.778SS**  trans-96.7112.5174.400000109.2R444R444-A446 PolarHBondContact O-N 3.25Å
447C46.6Very low50Low206 Ų206145.4 Ų145.4100%1.39281%0.811SS**  trans-148.70166-780000106.4

Retrieved 447 of 447 residues in 206.9 ms (Link to these results)