A0A087YBN1_POEFO Loading...

Zinc finger protein 384 b

AlphaFold DB , UniProt , Accession A0A087YBN1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 558 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M28.8Very low27Very low248 Ų248136.3 Ų136.3100%1.22269%0.693SS**  0111.60-68.3176.7175.800107.8
2M24.1Very low27.1Very low183 Ų183138 Ų13890%0.90169%0.692SS**  trans-119.8126177-68174.2177.100106.9
3E27.4Very low27.2Very low194 Ų194142.7 Ų142.791%0.90770%0.697SS**  trans-104.8106.5169.7-72.1-162.4132.700109.4S5E3-S5 PolarHBondContact O-N 3.37Å
4D26.2Very low27.1Very low132 Ų132139.1 Ų139.171%0.70669%0.693SS**  trans-66.7115.7174.6-73.7-57.8000110.6H6D4-H6 PolarHBondContact O-N 3.15Å
5S27Very low27Very low97 Ų97141.2 Ų141.268%0.67870%0.7SS**  trans-7759.1176.423.20000111.2E3 F7E3-S5 PolarHBondContact O-N 3.37Å; S5-F7 PolarHBondContact O-N 3.02Å
6H27.5Very low27Very low139 Ų139141.6 Ų141.664%0.64471%0.705SS**  trans-64.1101.7167.3-80.1-78.6000109.6D4 N8D4-H6 PolarHBondContact O-N 3.15Å; H6-N8 VanDerWaalsContact C-N 3.27Å; H6-N8 PolarHBondContact O-N 3.19Å
7F24.8Very low27Very low190 Ų190139.5 Ų139.583%0.83370%0.704SS**  trans-69.884174.4-168.6-95.9000109.9S5 S9S5-F7 PolarHBondContact O-N 3.02Å; F7-S9 VanDerWaalsContact C-N 3.34Å; F7-S9 PolarHBondContact O-N 3.38Å
8N24.5Very low27.2Very low79 Ų79139.3 Ų139.342%0.42271%0.711SS.*  trans-74.684.1-175.7-163.96.3000111.4H6 S10H6-N8 VanDerWaalsContact C-N 3.27Å; H6-N8 PolarHBondContact O-N 3.19Å; N8-S10 PolarHBondContact O-N 3.04Å; N8-S10 PolarHBondContact OD1-OG 3.45Å
9S29.3Very low27.3Very low69 Ų69137.7 Ų137.748%0.48371%0.708SS.*  trans-77.860.5180-176.80000112.3F7 Y318F7-S9 VanDerWaalsContact C-N 3.34Å; F7-S9 PolarHBondContact O-N 3.38Å; S9-Y318 PolarHBondContact OG-OH 3.16Å
10S28.4Very low27.4Very low54 Ų54136.9 Ų136.938%0.37871%0.712SS.*  trans-141.530.9175.775.60000113.6N8N8-S10 PolarHBondContact O-N 3.04Å; N8-S10 PolarHBondContact OD1-OG 3.45Å
11Y29Very low27.4Very low114 Ų114136.4 Ų136.445%0.44772%0.715SS.*  trans-121.7141.2175.4-71.5-77.5000111.6
12F28.8Very low27.4Very low157 Ų157132.9 Ų132.969%0.68970%0.696SS**  trans70.9128.6-169-62.6-93.7000113.7
13W27.6Very low27.9Very low199 Ų199131.7 Ų131.775%0.75469%0.692SS**  cis-125.3125.330.7-60.372000113.6
14S25.7Very low28.2Very low92 Ų92131.1 Ų131.164%0.64369%0.689SS**PPolyproline II helixtrans-101.3124.2149.653.40000107.2L16S14-L16 PolarHBondContact O-N 2.77Å
15H26.2Very low28.4Very low171 Ų171131.8 Ų131.879%0.79269%0.693SS**PPolyproline II helixtrans-63.5131.6174.4-71.5-97.3000109.6
16L26.8Very low28.7Very low148 Ų148132.4 Ų132.478%0.77570%0.698SS**PPolyproline II helixtrans-69.5137155.3-82.783.3000107.1S14 T18S14-L16 PolarHBondContact O-N 2.77Å; L16-T18 PolarHBondContact O-N 3.19Å
17P27.8Very low29.2Very low106 Ų106134.1 Ų134.169%0.68871%0.708SS**  trans-67.8112.5168.8-15.830.1000109.4V19P17-V19 PolarHBondContact O-N 2.92Å
18T29.6Very low29.8Very low135 Ų135133.9 Ų133.983%0.82871%0.707SS**  trans-72.3107162.9-57.80000107.5L16L16-T18 PolarHBondContact O-N 3.19Å
19V30Very low30.3Very low109 Ų109137.2 Ų137.266%0.66172%0.724SS**  trans-71.9129.3171-179.30000108.3P17 T21P17-V19 PolarHBondContact O-N 2.92Å; V19-T21 PolarHBondContact O-N 3.09Å
20P28.6Very low30.5Very low122 Ų122141.4 Ų141.479%0.79274%0.741SS**  trans-72.3113173.1-11.827.4000109.9
21T26.9Very low31.1Very low127 Ų127148.2 Ų148.278%0.77976%0.764SS**  trans-99.695.3170.853.40000110.1V19V19-T21 PolarHBondContact O-N 3.09Å
22Q29.3Very low31.6Very low173 Ų173149.2 Ų149.281%0.80878%0.781SS**  trans-135.1144.8162-87.9-66.6-4.500108.3
23L34.8Very low31.9Very low159 Ų159150.1 Ų150.183%0.83279%0.785SS**SBendtrans58.788.7-169-91.170.5000115.5
24E33.4Very low32.3Very low181 Ų181149.1 Ų149.185%0.84679%0.789SS**  169.199.4113.5-92.6-175.9178.100109.3
25N29.6Very low32.8Very low147 Ų147153.8 Ų153.879%0.78680%0.8SS**  trans-163.159.8171.9-103-36.4000111.7
26S33.9Very low33.2Very low110 Ų110154.4 Ų154.477%0.76980%0.803SS**SBendtrans-102.9217652.40000114.3
27M39.2Very low33.4Very low174 Ų174155.3 Ų155.386%0.85780%0.803SS**SBendtrans-123.56.5-173.7-72.6-170.4-78.100116
28F36.9Very low33.7Very low186 Ų186159.3 Ų159.382%0.81681%0.81SS**SBendtrans-1188.9-178-116-87.4000116.3
29L35.4Very low33.7Very low149 Ų149161 Ų16178%0.7881%0.814SS**SBendtrans-109.2-2.1179.4-87.8166000115.7
30N33.4Very low33.5Very low156 Ų156160.8 Ų160.883%0.83482%0.824SS**SBendtrans-97.723.5-178.7-83.1-8.5000114.8
31K40.1Very low33.4Very low197 Ų197159.8 Ų159.886%0.85782%0.819SS**SBendtrans-133.614.8-179.2-139.4170.4-174174.50116.6
32V38.7Very low33.3Very low135 Ų135163.3 Ų163.382%0.81882%0.824SS**SBendtrans-121.7-8.6175-176.70000112.1
33K36Very low33.1Very low177 Ų177160.5 Ų160.577%0.7782%0.824SS**SBendtrans-102.424-175.9-149-164.9172.2-1700114.8
34E37.1Very low33.3Very low177 Ų177158.8 Ų158.883%0.82782%0.822SS**SBendtrans-13019.5-178-148-172.9160.900113.5
35H35.7Very low32.8Very low190 Ų190155.5 Ų155.588%0.8882%0.819SS**SBendtrans-132.811.9-179.3-114.7-75.6000114.9
36Q34.8Very low32.7Very low184 Ų184154.2 Ų154.286%0.8682%0.822SS**SBendtrans-126.515.3-178.8-149.5172.520.700114.3
37E30.6Very low32.3Very low167 Ų167153.8 Ų153.878%0.7883%0.825SS**SBendtrans-119.325.3178.7-69.6-174173.500113.5
38K33.8Very low31.6Very low191 Ų191151.3 Ų151.383%0.8382%0.824SS**SBendtrans-132.887167.7-76.1-176.5178.41720111
39N29.4Very low31.2Very low171 Ų171150.1 Ų150.191%0.91482%0.821SS**  trans166.186.6144.3-83.4-14000109.3
40A26.3Very low30.8Very low104 Ų104153.3 Ų153.386%0.8682%0.824SS**  trans-150.180.1177.800000112.7
41S26.8Very low30.4Very low100 Ų100153.9 Ų153.970%0.69982%0.822SS**  trans-167.8133.9162.843.50000105.9
42F24.8Very low29.6Very low201 Ų201150.9 Ų150.988%0.88282%0.82SS**  cis-140.2179.833-76.8-98.5000113.4
43S25.6Very low29Very low115 Ų115150.7 Ų150.780%0.80482%0.82SS**  trans-99.2-166.7-179.2-50.80000112.4
44P37.8Very low28.4Very low122 Ų122150.1 Ų150.179%0.79282%0.824SS**  -128.7-175.7-73.939.4-23.6000114.1
45S23.8Very low27.8Very low113 Ų113149.8 Ų149.879%0.7983%0.827SS**  trans108119.4154.2-162.20000119.1
46S27.2Very low27.3Very low120 Ų120146.8 Ų146.884%0.83982%0.822SS**  152.2154.2123.758.30000111.9
47A24.2Very low26.9Very low100 Ų100145.7 Ų145.783%0.82682%0.821SS**  trans-99.7157-164.200000114.2
48S25.6Very low26.9Very low122 Ų122143.3 Ų143.385%0.85382%0.82SS**  trans-167163.5142.444.90000112.8
49H28.4Very low26.6Very low161 Ų161140.7 Ų140.775%0.74582%0.82SS**  trans-75.4160.2-171.9-68.5-124.5000113.5
50Y26.1Very low27Very low217 Ų217138.7 Ų138.785%0.85182%0.816SS**  180173.9101.9-97.9-70.1000113.7
51Q25.6Very low27Very low168 Ų168137.7 Ų137.779%0.78582%0.816SS**  trans-90.3157.1-154.1-68.2167.8-65.200116.3
52T24.6Very low27Very low133 Ų133138 Ų13882%0.81682%0.824SS**  trans-67.4135.4160.9-49.30000112.1
53T24.7Very low27.2Very low132 Ų132137.6 Ų137.681%0.8182%0.822SS**  trans-129.3126.616426.80000111.3
54L24.7Very low27.5Very low164 Ų164138 Ų13886%0.85982%0.82SS**  trans-87.1144.5166.3-78.7159.3000108.9
55L24.2Very low27Very low170 Ų170139.8 Ų139.889%0.8982%0.823SS**  trans-123.5120.9175.3-103.4160.7000111.1
56T24.4Very low27.2Very low128 Ų128138.2 Ų138.279%0.78582%0.824SS**PPolyproline II helixtrans-96.2146.5179.3-55.80000110.1
57I26.7Very low27.2Very low160 Ų160136.8 Ų136.882%0.82183%0.828SS**PPolyproline II helixtrans-94.6134.8177.2-58.5174.9000109.4
58P29.3Very low27.4Very low117 Ų117135.9 Ų135.976%0.7683%0.829SS**PPolyproline II helixtrans-90.8158.7-170.335.4-36.7000115
59T28.8Very low27.6Very low136 Ų136139.3 Ų139.383%0.83483%0.831SS**  trans-109.3149.8163.137.90000111
60P37Very low27.7Very low130 Ų130136.6 Ų136.684%0.84484%0.837SS**  trans-77.4150.2-178.432.4-35.2000112.2
61G26.5Very low27.8Very low82 Ų82130.2 Ų130.285%0.84584%0.837SS**  trans-103.8173.8-17200000115.8
62A26.8Very low27.9Very low106 Ų106126.4 Ų126.488%0.87684%0.843SS**  trans-138.3145.9164.300000108.7
63K30.1Very low28Very low194 Ų194125 Ų12584%0.84385%0.845SS**  trans-99.8142.4179.6-62.3176.7178.1179.60110.2
64T30.7Very low28.1Very low122 Ų122123.7 Ų123.775%0.74885%0.848SS**  170.6130.9111.132.50000111.8
65D27.3Very low28.3Very low161 Ų161123.9 Ų123.986%0.86184%0.844SS**  trans49.9140143.9-49.3-33.5000124.3
66G28.3Very low28.4Very low79 Ų79124.1 Ų124.181%0.81485%0.845SS**  trans121.785.4148.800000117.4
67G27.1Very low28.6Very low90 Ų90125.7 Ų125.793%0.92884%0.843SS**  trans-72.3175.1-175.700000118.6
68G27.5Very low29.2Very low81 Ų81122.9 Ų122.984%0.83584%0.835SS**  trans169.7126.3174.200000113.8
69Q31.5Very low29.4Very low194 Ų194123.3 Ų123.391%0.90784%0.838SS**  trans-70.1147.7-161.7-70.3173.2-11.600119.6
70A29Very low29.5Very low105 Ų105125.7 Ų125.787%0.86884%0.839SS**  51.2135.8128.700000124
71G28.1Very low28.9Very low82 Ų82125 Ų12585%0.84584%0.837SS**  trans160.4100.8150.300000118.1
72G27.8Very low29Very low89 Ų89127.1 Ų127.192%0.91883%0.834SS**  trans84.6116.1146.200000119.5
73A26.8Very low29.2Very low103 Ų103131 Ų13185%0.85183%0.834SS**  trans-111147.916800000111.5
74A27.3Very low29Very low105 Ų105129.5 Ų129.587%0.86884%0.836SS**  trans-150.5113.3162.600000111
75H28.1Very low28.8Very low167 Ų167131.5 Ų131.577%0.77384%0.84SS**  trans-82.3156.4164.3-92.9-96.2000110.2
76L26.3Very low28.6Very low175 Ų175130.3 Ų130.392%0.91684%0.838SS**  -169.7158.9125.8-101.5164.8000112.4
77H30.2Very low28.5Very low162 Ų162132.5 Ų132.575%0.7584%0.836SS**  trans-99.8169.4-165.1-101-110.1000114.2
78P38.3Very low28.3Very low100 Ų100136.3 Ų136.365%0.64983%0.834SS**  trans-95163.9-174.338.4-35.6000113.9
79P34.1Very low28.3Very low126 Ų126137.8 Ų137.882%0.81883%0.829SS**  trans-104.3135.7168.735.2-28.2000113.8
80H29.9Very low28Very low186 Ų186135.3 Ų135.386%0.86183%0.827SS**  trans-82.6156.3157.1-72.2-113.9000109.8
81S25.3Very low28.1Very low115 Ų115136.3 Ų136.380%0.80482%0.824SS**  trans-152.2135.3157-165.40000111.9
82T28.7Very low28.1Very low128 Ų128137.4 Ų137.479%0.78582%0.819SS**  trans-115.6133-178470000109.7
83Q30.5Very low28.2Very low187 Ų187140.5 Ų140.587%0.87482%0.82SS**  trans-140.8147.1163-71.5-163.5-7.500112.7
84N25.7Very low28Very low163 Ų163139.3 Ų139.387%0.87282%0.818SS**  trans-74.9164.3-171.9-68.1-41.3000113.5
85I26.9Very low28.1Very low163 Ų163142 Ų14284%0.83682%0.816SS**  trans-124.3121.6168.7-63.4177.9000109.5
86T23.8Very low27.9Very low136 Ų136142.6 Ų142.683%0.83482%0.821SS**  trans-84.5147.2173.5-38.10000110.7
87V25.1Very low27.9Very low125 Ų125140.8 Ų140.876%0.75882%0.818SS**  trans-103.9137.8-178.6177.10000110.9
88L22.7Very low27.7Very low170 Ų170137.8 Ų137.889%0.8982%0.821SS**  trans-139.6136.7163.1-80.7173.7000110.3
89P28.9Very low27.1Very low112 Ų112138.1 Ų138.173%0.72783%0.833SS**  trans-106.8152.4-179.538.8-32.5000113.8
90V24.7Very low26.7Very low143 Ų143135.7 Ų135.787%0.86783%0.83SS**  trans-146.1143.9168-176.60000109.2
91P31.1Very low26.4Very low125 Ų125135 Ų13581%0.81283%0.832SS**  trans-105.9-172.5-158.841.6-37.1000117.3
92S28.7Very low26.4Very low105 Ų105135.7 Ų135.773%0.73483%0.831SS**  trans-75.1165.5-167.4-33.80000117.6
93T28.7Very low26.2Very low154 Ų154137 Ų13795%0.94583%0.832SS**  175.6158.2120.429.20000112.8
94G24Very low26Very low78 Ų78134.2 Ų134.280%0.80483%0.828SS**  trans154.8107.6170.200000114.6
95I27.9Very low26.3Very low162 Ų162132.6 Ų132.683%0.83182%0.824SS**  trans-126149.2173.9-60.9171.3000107.4
96M24.6Very low26.5Very low179 Ų179130 Ų13088%0.88282%0.818SS**  trans-170.2166149.3-96.8-95.1-76.300111.3
97T26.4Very low26.7Very low137 Ų137132.8 Ų132.884%0.8482%0.821SS**  trans-113.6-176.3-143.7-13.90000115.8
98A26Very low26.7Very low99 Ų99130.7 Ų130.782%0.81882%0.824SS**  trans-88.8162.8-164.500000116.6
99A26.3Very low26.7Very low108 Ų108128.6 Ų128.689%0.89382%0.819SS**  trans-155145.5149.100000109.5
100G24.8Very low26.5Very low75 Ų75130.8 Ų130.877%0.77382%0.824SS**  trans-122.3171.3177.900000112.3
101L23.5Very low26.4Very low170 Ų170130.4 Ų130.489%0.8982%0.822SS**  trans-154.2142.2172.7-110.6157.5000110.8
102V25.9Very low26.2Very low131 Ų131129.4 Ų129.479%0.79482%0.818SS**  trans-125127.4-177.4172.40000108.3
103I24.6Very low26.2Very low156 Ų156130.2 Ų130.280%0.882%0.82SS**  trans-139.8150.2165.9-58.9-175.6000109.9
104T25.7Very low26Very low128 Ų128129.2 Ų129.279%0.78581%0.814SS**  trans-92.2172.6-161.648.80000116
105T31.6Very low26.1Very low128 Ų128130.6 Ų130.679%0.78581%0.811SS**  trans-80.1170.1176.455.30000113.3
106P31.7Very low26.1Very low109 Ų109127.5 Ų127.571%0.70880%0.804SS**  -149144.699.136.7-18.8000118.3
107Q27.3Very low26.2Very low195 Ų195128 Ų12891%0.91180%0.804SS**  trans33.9136.7136.7-63.7154.2-15.600123.6
108G25Very low26.2Very low80 Ų80126.2 Ų126.283%0.82580%0.798SS**  trans167.880.3162.100000118.6
109T24.6Very low26.1Very low126 Ų126131.4 Ų131.477%0.77380%0.802SS**  trans-22.7145169.229.80000124.7
110L23.2Very low26.2Very low159 Ų159133.3 Ų133.383%0.83280%0.802SS**  trans67.4146.5144.8-60.5166.3000118
111V23.9Very low26.3Very low135 Ų135135.4 Ų135.482%0.81881%0.805SS**  cis-152.5151.946.6163.10000112
112S25.9Very low26.6Very low104 Ų104130.6 Ų130.673%0.72780%0.796SS**  trans-81.9159.9172.4-52.90000113.4
113P29.2Very low27Very low121 Ų121132.4 Ų132.479%0.78680%0.796SS**  -138.6135.7125.932.1-16.9000115.8
114T24.8Very low27.2Very low134 Ų134131.1 Ų131.182%0.82280%0.797SS**  trans-56.1162.1146.944.60000110.1
115S25.7Very low27.3Very low106 Ų106128.9 Ų128.974%0.74179%0.792SS**  cis-157.3169.924.2-161.70000111.9
116S26.7Very low27.2Very low98 Ų98129 Ų12969%0.68579%0.793SS**  trans-27145.1167.158.90000119.2
117Q28.3Very low27Very low189 Ų189129.9 Ų129.988%0.88380%0.796SS**  -150.3155.7105.5-76.5-144.99.200110.6
118S25Very low27Very low100 Ų100128.1 Ų128.170%0.69979%0.79SS**  trans-117.2133.5-166.354.50000113.4
119F25.1Very low27Very low208 Ų208131.5 Ų131.591%0.91279%0.788SS**  trans-132.3135.1158.2-84.9-83.5000110.5
120V27.9Very low27.1Very low148 Ų148131.8 Ų131.890%0.89779%0.789SS**  trans-97.2120.1-175.6175.70000110
121S26Very low27.2Very low118 Ų118129.2 Ų129.283%0.82578%0.784SS**  trans-146129.3159.4-1750000109.9H123S121-H123 PolarHBondContact O-N 3.09Å
122G31.7Very low27.3Very low69 Ų69127.2 Ų127.271%0.71178%0.782SS**  trans-91.590-162.500000114.9
123H32.6Very low27.3Very low170 Ų170129.9 Ų129.979%0.78779%0.787SS**  trans-138146.4158.1-84.5-13.8000110.9S121 A125S121-H123 PolarHBondContact O-N 3.09Å; H123-A125 VanDerWaalsContact C-N 3.28Å; H123-A125 PolarHBondContact O-N 3.03Å
124P30.4Very low27.2Very low128 Ų128130.1 Ų130.183%0.83179%0.789SS**  trans-73.184.2174.131.1-33.8000109.9T126P124-T126 PolarHBondContact O-N 2.9Å
125A26.3Very low27.3Very low82 Ų82129.5 Ų129.568%0.67879%0.79SS**  trans-62129.9168.600000109.6H123 T127H123-A125 VanDerWaalsContact C-N 3.28Å; H123-A125 PolarHBondContact O-N 3.03Å; A125-T127 PolarHBondContact O-N 2.8Å
126T30.1Very low27.4Very low130 Ų130129.3 Ų129.380%0.79879%0.789SS**  trans-77.391.7171.7-560000108.2P124 M128P124-T126 PolarHBondContact O-N 2.9Å; T126-M128 PolarHBondContact O-N 3.1Å
127T26.9Very low27.5Very low127 Ų127130.2 Ų130.278%0.77979%0.786SS**  trans-66.3104.9178.4-16.10000110.2A125 I129A125-T127 PolarHBondContact O-N 2.8Å; T127-I129 PolarHBondContact O-N 3.47Å
128M27.1Very low27.6Very low159 Ų159129.8 Ų129.878%0.78378%0.781SS**  trans-75.5112.1167.4-71.2-78.3-75.900108T126 V130T126-M128 PolarHBondContact O-N 3.1Å; M128-V130 PolarHBondContact O-N 3.11Å
129I26Very low27.9Very low151 Ų151134.9 Ų134.977%0.77479%0.79SS**  trans-77.8107.8170.5-59.8174.9000107.3T127T127-I129 PolarHBondContact O-N 3.47Å
130V27.2Very low28Very low132 Ų132134.3 Ų134.380%0.879%0.791SS**  trans-92.7104.2166.71790000107.5M128M128-V130 PolarHBondContact O-N 3.11Å
131S25.4Very low28Very low104 Ų104130.6 Ų130.673%0.72778%0.783SS**  trans-97.6109.4166.7-650000108.5
132A25.9Very low28.1Very low94 Ų94133.5 Ų133.578%0.77779%0.789SS**  trans-77.8139.6164.200000109.5
133L25.2Very low28Very low160 Ų160132.7 Ų132.784%0.83878%0.781SS**  trans-115.1145.7160.9-81.9171.6000108.3
134P26.5Very low27.7Very low126 Ų126130.9 Ų130.982%0.81878%0.782SS**  trans-72.2150.2-173.730-35.2000112.1
135S27.1Very low27.5Very low121 Ų121130.6 Ų130.685%0.84678%0.783SS**  trans-129123.7171.9176.90000109.2
136S28.5Very low27.5Very low102 Ų102134.9 Ų134.971%0.71379%0.789SS**  trans-146.4128.1169.750.60000106.6
137D28.3Very low27.3Very low116 Ų116134.7 Ų134.762%0.6279%0.787SS**  cis-139.1143.214.1-103.7-74.9000114.1
138K29.9Very low27.2Very low180 Ų180133.9 Ų133.978%0.78378%0.781SS**  trans32118.3139.5-62.2171.3-169.1121.20120.8
139K31.1Very low27.1Very low207 Ų207131.9 Ų131.990%0.978%0.778SS**  -151.8155.996.5-115-177.9179.2-176.20111.9
140E29Very low26.9Very low196 Ų196132.1 Ų132.192%0.91678%0.778SS**  trans-77.7157.2-167.7-57.7163.1128.200112.5
141G27.6Very low27.1Very low71 Ų71131.1 Ų131.173%0.73277%0.774SS**  cis-171170.3-0.900000112
142D28.4Very low27.1Very low178 Ų178131.6 Ų131.695%0.95278%0.777SS**  trans36.6128.8165.6-132.929.3000121
143G28Very low27.1Very low53 Ų53133.1 Ų133.155%0.54678%0.779SS.*  cis156.494-1.300000113
144T27.3Very low27.3Very low132 Ų132131 Ų13181%0.8178%0.778SS**  trans-176.196.3154.514.60000111.2H146T144-H146 PolarHBondContact O-N 3.45Å
145S26.6Very low27.6Very low121 Ų121132.6 Ų132.685%0.84677%0.772SS**  trans-82.1102176.9-550000111.5V147S145-V147 PolarHBondContact O-N 3.44Å; S145-V147 VanDerWaalsContact O-N 3.08Å
146H26.5Very low27.8Very low173 Ų173138.3 Ų138.380%0.80178%0.775SS**  trans-65106.2171.7-78.6-77.3000111.8T144 V148T144-H146 PolarHBondContact O-N 3.45Å; H146-V148 PolarHBondContact O-N 3Å; H146-V148 VanDerWaalsContact O-N 3.15Å
147V25.4Very low27.6Very low126 Ų126137.6 Ų137.676%0.76478%0.784SS**  trans-7798169-177.50000109.4S145 V149S145-V147 PolarHBondContact O-N 3.44Å; S145-V147 VanDerWaalsContact O-N 3.08Å; V147-V149 HydrophobicContact CG1-CG2 3.99Å; V147-V149 PolarHBondContact O-N 2.87Å
148V24.2Very low27.6Very low109 Ų109143.9 Ų143.966%0.66180%0.799SS**  trans-75.791.1173.9-178.80000110.1H146 M150H146-V148 PolarHBondContact O-N 3Å; H146-V148 VanDerWaalsContact O-N 3.15Å; V148-M150 HydrophobicContact CG1-CE 3.51Å; V148-M150 PolarHBondContact O-N 3.44Å
149V25.6Very low27.9Very low118 Ų118145.3 Ų145.372%0.71581%0.805SS**  trans-77.6108.6168.3-178.80000109.1V147 P151V147-V149 HydrophobicContact CG1-CG2 3.99Å; V147-V149 PolarHBondContact O-N 2.87Å; V149-P151 VanDerWaalsContact O-CD 3.24Å; V149-P151 WeakPolarHBondContact O-CD 3.42Å
150M21.7Very low27.9Very low156 Ų156144.9 Ų144.977%0.76880%0.803SS**PPolyproline II helixtrans-73.9116.4174.5-80.1-76.5139.900111.7V148V148-M150 HydrophobicContact CG1-CE 3.51Å; V148-M150 PolarHBondContact O-N 3.44Å
151P30Very low27.8Very low110 Ų110145.1 Ų145.171%0.71480%0.801SS**PPolyproline II helixtrans-74.9154.9172.6-13.131.1000111.6V149V149-P151 VanDerWaalsContact O-CD 3.24Å; V149-P151 WeakPolarHBondContact O-CD 3.42Å
152S26Very low27.6Very low114 Ų114148.1 Ų148.180%0.79781%0.805SS**PPolyproline II helixtrans-62.4142.4176.3-69.20000112.3S154S152-S154 PolarHBondContact O-N 3.09Å
153P26.4Very low27.4Very low126 Ų126145.7 Ų145.782%0.81880%0.797SS**PPolyproline II helixtrans-63.7119.3-174.4-22.933.1000113.6K155P153-K155 PolarHBondContact O-N 3.11Å
154S28.9Very low27.2Very low117 Ų117148.7 Ų148.782%0.81880%0.804SS**PPolyproline II helixtrans-72.7123.8169.9-171.70000110.3S152 R156S152-S154 PolarHBondContact O-N 3.09Å; S154-R156 PolarHBondContact O-N 2.99Å
155K34.1Very low27.1Very low159 Ų159150.1 Ų150.169%0.69181%0.806SS**SBendtrans-79.883.4-177.3-71-168.9176.1-167.40112.3P153P153-K155 PolarHBondContact O-N 3.11Å
156R29.5Very low27Very low240 Ų240149.5 Ų149.591%0.90680%0.802SS**  trans-146106.8153.8-91.4-175.2-175.3179.41.7110.2S154S154-R156 PolarHBondContact O-N 2.99Å
157G25.5Very low27Very low87 Ų87152.4 Ų152.490%0.89781%0.806SS**  trans-83.5131.9172.100000111.5
158R29Very low26.9Very low249 Ų249153.2 Ų153.294%0.9481%0.811SS**  trans-140.4127.5158.6-150.3175.2-164.7-176.93.7108.5
159K35.4Very low26.9Very low209 Ų209152.4 Ų152.491%0.90982%0.816SS**  trans-69135.7-175-58.8175.3178.7179.80110.7
160K30.2Very low26.9Very low198 Ų198153 Ų15386%0.86182%0.82SS**  trans-138147.7153.5-83-169.7177.3178.60109.2
161K27.4Very low27.2Very low201 Ų201154.4 Ų154.487%0.87483%0.829SS**  trans-68.8148-178.2-73.5176.1170.8-179.60110.9
162V23.9Very low26.9Very low135 Ų135152.9 Ų152.982%0.81883%0.834SS**  trans-83129159176.20000107.5
163T24.1Very low26.8Very low127 Ų127151 Ų15178%0.77983%0.833SS**  trans-119.3131.7164.3-54.70000107.2
164T24.6Very low27.3Very low115 Ų115151.4 Ų151.471%0.70684%0.835SS**  trans-82.6172.6-179.541.90000112.4
165L25.2Very low27.1Very low163 Ų163148.9 Ų148.985%0.85383%0.828SS**  trans99145.8179.3-58.9162000114
166S24.4Very low26.8Very low108 Ų108150.4 Ų150.476%0.75584%0.837SS**  cis-165.2174-29.1-113.80000109.7
167R24.7Very low26.6Very low233 Ų233146.4 Ų146.488%0.87983%0.833SS**  trans-68.6176.7-175.9-72.8172.1161.1162.3-7.8115.7
168V25.1Very low26.8Very low143 Ų143148.5 Ų148.587%0.86783%0.829SS**  trans92.6136.9158.3-1710000113.7
169A24.5Very low26.6Very low93 Ų93145 Ų14577%0.76983%0.828SS**  cis-144.7170.77.200000113.8
170T25.6Very low26.1Very low130 Ų130142.9 Ų142.980%0.79883%0.825SS**  trans-86.7133.3171.843.90000114.5
171L26.8Very low25.9Very low185 Ų185140 Ų14097%0.96982%0.818SS**  trans-157.8158.2144.4-73.9-174.4000106
172G24.1Very low25.8Very low78 Ų78136.1 Ų136.180%0.80481%0.812SS**  cis-172.4174.7-6.300000109.6
173G23.8Very low26Very low76 Ų76138 Ų13878%0.78481%0.811SS**  trans-119.5-162.8170.500000112
174P37.2Very low26Very low133 Ų133139.9 Ų139.986%0.86482%0.815SS**  cis-108.3178-11.739-25.4000110.7
175G25.3Very low26.2Very low64 Ų64141.1 Ų141.166%0.6682%0.823SS**  cis109.3113.72600000110
176H27.8Very low26.7Very low191 Ų191139.4 Ų139.488%0.88482%0.822SS**  trans-164.8117.2161.8-114.2-71.9000111.1
177D24.7Very low26.8Very low156 Ų156138.1 Ų138.183%0.83483%0.825SS**  trans-78.9148.4169.5-66.1-59.3000111.1
178T28.5Very low26.9Very low131 Ų131130.5 Ų130.580%0.80482%0.819SS**  trans-153.9103.4156.3-2.80000110.6
179L25.3Very low26.9Very low176 Ų176132.8 Ų132.892%0.92182%0.82SS**  trans-77125.7166.3-68.6163.7000108.7
180I26.1Very low27Very low165 Ų165134.5 Ų134.585%0.84682%0.821SS**  trans-124.9129.4156.6-66.5-170.5000111.4
181L25.8Very low27Very low136 Ų136134 Ų13471%0.71282%0.823SS**  trans-60.5151.4-172.1-161.265.3000114.8
182T25.1Very low27Very low121 Ų121130.3 Ų130.374%0.74281%0.812SS**  trans-68.5139.617250.10000113.4
183H26.7Very low27.1Very low173 Ų173133.3 Ų133.380%0.80181%0.809SS**  trans-130.4120.8157.7-69.8-78.6000110.9
184L25.2Very low27.4Very low167 Ų167137.4 Ų137.487%0.87481%0.808SS**  trans-115.1128.5171.2-91.9162000107.9
185T29.6Very low27.1Very low142 Ų142139.3 Ų139.387%0.87181%0.805SS**  trans-161.4160.6155.317.80000110
186P34.1Very low27.3Very low127 Ų127145 Ų14583%0.82581%0.814SS**  trans-117.8171-143.642.9-35.2000115.1
187G26.8Very low27.6Very low80 Ų80144.6 Ų144.683%0.82581%0.812SS**  trans163114.5164.900000111.3
188G26.6Very low28.1Very low73 Ų73143.2 Ų143.275%0.75381%0.811SS**  trans-98.3148.9178.500000112.4
189H25.6Very low28.2Very low192 Ų192140.2 Ų140.289%0.88981%0.807SS**  trans-154.3147.8144.5-119.3-84.9000110.4
190V27.2Very low28.5Very low129 Ų129138.4 Ų138.478%0.78280%0.798SS**  trans-105.4141.1-179.3-82.90000111.4
191S24.7Very low28.9Very low119 Ų119135.8 Ų135.883%0.83279%0.792SS**  trans-171.8116.8144.5-86.80000114.1
192S26.3Very low29.6Very low108 Ų108136 Ų13676%0.75578%0.784SS**  trans45.7136.6141.9-74.10000125.5
193L26.8Very low30Very low140 Ų140138.1 Ų138.173%0.73379%0.786SS**  trans72.2109.1148.9-96.571.8000119.2
194Q29.5Very low30.4Very low162 Ų162136.1 Ų136.176%0.75778%0.778SS**  -157146.398.2-148.966.1-16.800111.8
195H31.6Very low30.8Very low174 Ų174133.3 Ų133.381%0.80677%0.773SS**  trans-72.1130.6176.8-80.4-94.8000112.2
196H30.1Very low31.4Very low182 Ų182134.1 Ų134.184%0.84377%0.766SS**  trans-136.7146.2153.5-84.9-77.5000110.9
197H33.4Very low31.7Very low184 Ų184136.2 Ų136.285%0.85277%0.765SS**PPolyproline II helixtrans-67155.5-173.4-86.6-103.3000113.5G199H197-G199 PolarHBondContact O-N 2.87Å
198P35.9Very low32.2Very low126 Ų126140.2 Ų140.282%0.81877%0.768SS**PPolyproline II helixtrans-69.7116.3175.229.3-33.7000110.8
199G30.1Very low33.1Very low69 Ų69144.9 Ų144.971%0.71177%0.77SS**PPolyproline II helixtrans-71.9156.4174.600000113.6H197H197-G199 PolarHBondContact O-N 2.87Å
200D30.4Very low33.5Very low137 Ų137144.7 Ų144.773%0.73377%0.769SS**PPolyproline II helixtrans-56140.9179-110.8-61.8000113.2Y202D200-Y202 PolarHBondContact O-N 3.17Å
201P36.1Very low34.5Very low110 Ų110147 Ų14771%0.71477%0.771SS**SBendtrans-70.416.8179.2-19.633.3000116.1
202Y40.3Very low35Very low140 Ų140144.6 Ų144.655%0.54977%0.765SS.*  trans-111.852.8-166.4-72.7-69.7000114.2D200 M204 Q236D200-Y202 PolarHBondContact O-N 3.17Å; Y202-M204 PolarHBondContact O-N 3.23Å; Y202-Q236 PolarHBondContact OH-NE2 2.85Å
203E32.4Very low35.9Very low166 Ų166148.5 Ų148.578%0.77677%0.771SS**  trans-57.8117.4162.2-89.3-76102.200110.6
204M35.1Very low36.9Very low132 Ų132151.7 Ų151.765%0.6578%0.779SS**  trans-108110.3-179.8-165.1175.4-29.500108.1Y202 H206Y202-M204 PolarHBondContact O-N 3.23Å; M204-H206 VanDerWaalsContact C-N 3.33Å; M204-H206 PolarHBondContact O-N 2.82Å
205S35.1Very low37.9Very low108 Ų108150.4 Ų150.476%0.75578%0.777SS**  trans-64.493.5175.752.60000109.9
206H40.8Very low39.1Very low159 Ų159147.1 Ų147.174%0.73677%0.774SS**  trans-81.4115.5157.4-89.7-99.5000107.1M204M204-H206 VanDerWaalsContact C-N 3.33Å; M204-H206 PolarHBondContact O-N 2.82Å
207E40.6Very low41Very low170 Ų170143.4 Ų143.479%0.79476%0.764SS**  trans-105.9141.2162.4-66.8169.2-167.600105.6
208D37Very low43.1Very low165 Ų165142.2 Ų142.288%0.88276%0.756SS**  trans-64.4156.2-155.7-64.4-81.8000116.3E210D208-E210 PolarHBondContact O-N 3.44Å
209E45.1Very low45.5Very low170 Ų170140 Ų14079%0.79474%0.74SS**  trans-75.6114.4177.7-76.4-120.2135.300112H211E209-H211 IonicContact OE2-CE1 3.47Å; E209-H211 PolarHBondContact OE2-CE1 3.4Å; E209-H211 IonicContact OE2-ND1 3.97Å
210E36Very low48.1Very low189 Ų189140.6 Ų140.688%0.88372%0.722SS**  trans-115.6136.4148.7-159.2177.7-16100109.8D208 G212D208-E210 PolarHBondContact O-N 3.44Å; E210-G212 PolarHBondContact O-N 3.32Å
211H48Very low50.7Low178 Ų178141.6 Ų141.682%0.82472%0.715SS**  trans-75.785.7-164.6-81.643.9000113.1E209E209-H211 IonicContact OE2-CE1 3.47Å; E209-H211 PolarHBondContact OE2-CE1 3.4Å; E209-H211 IonicContact OE2-ND1 3.97Å
212G35Very low53.1Low67 Ų67136.6 Ų136.669%0.69168%0.683SS**  trans-134.8116.517900000114.9E210E210-G212 PolarHBondContact O-N 3.32Å
213H43.8Very low55Low190 Ų190140.2 Ų140.288%0.8870%0.696SS**  trans28.297.3161.7-124.6-72.6000118.9D215H213-D215 PolarHBondContact O-N 3.49Å
214K49Very low57.2Low207 Ų207139 Ų13990%0.969%0.691SS**SBendtrans-63.795.8173.3-80.5178.3175.6167.10113.5
215D50.4Low59.6Low136 Ų136134.8 Ų134.873%0.72768%0.675SS**  trans-148.133152.4-120.7-22000112.5H213 T217H213-D215 PolarHBondContact O-N 3.49Å; D215-T217 PolarHBondContact O-N 2.93Å; D215-T217 VanDerWaalsContact O-N 3.08Å
216S55.9Low61.9Low105 Ų105133.4 Ų133.473%0.73467%0.67SS**  trans-70.4101.3173.4-1790000111.1K218S216-K218 VanDerWaalsContact C-N 3.34Å; S216-K218 PolarHBondContact O-N 3.15Å
217T69.5Low64Low104 Ų104127.2 Ų127.264%0.63865%0.646SS**  trans-71.388.4169.753.70000109.8D215 T219D215-T217 PolarHBondContact O-N 2.93Å; D215-T217 VanDerWaalsContact O-N 3.08Å; T217-T219 PolarHBondContact O-N 3.38Å
218K78.6Confident66.3Low159 Ų159122.7 Ų122.769%0.69163%0.63SS**  trans-52.8110.6178.5-68-168.9175.6-168.30110.7S216 Y220S216-K218 VanDerWaalsContact C-N 3.34Å; S216-K218 PolarHBondContact O-N 3.15Å; K218-Y220 WeakPolarHBondContact O-CE2 3.4Å
219T85.8Confident68.7Low79 Ų79117 Ų11749%0.48560%0.598SS.*  trans-100.5148.3174.557.70000110.7T217 F229 F230T217-T219 PolarHBondContact O-N 3.38Å; T219-F229 CarbonylContact C-O 3.56Å; T219-F229 WeakPolarHBondContact CA-O 3.3Å; T219-F230 HydrophobicContact CG2-CD1 3.81Å; T219-F230 HydrophobicContact CG2-CE1 3.78Å
220Y84.6Confident70.7Confident82 Ų82116.7 Ų116.732%0.32259%0.594SS.*EExtended strand (participates in β ladder)trans-116111-175.6-60.5-90.8000108.6K218 F229 K232K218-Y220 WeakPolarHBondContact O-CE2 3.4Å; Y220-F229 PolarHBondContact N-O 3.42Å; Y220-F229 PolarHBondContact O-N 3.01Å; Y220-K232 HydrophobicContact CD1-CB 3.88Å; Y220-K232 HydrophobicContact CD1-CG 4.12Å; Y220-K232 HydrophobicContact CD2-CB 4.5Å; Y220-K232 VanDerWaalsContact CD2-N 3.3Å; Y220-K232 HydrophobicContact CE1-CB 3.61Å; Y220-K232 HydrophobicContact CE1-CD 4.26Å; Y220-K232 HydrophobicContact CE1-CG 3.99Å; Y220-K232 HydrophobicContact CE2-CB 4.27Å; Y220-K232 HydrophobicContact CG-CB 4.31Å
221R85.6Confident73Confident157 Ų157109.6 Ų109.659%0.59257%0.566SS**EExtended strand (participates in β ladder)trans-90.4136.6179.7-167.8176.5-179.997-3.9110.5T228R221-T228 HydrophobicContact CB-CG2 4.18Å; R221-T228 HydrophobicContact CG-CG2 3.96Å
222C85.9Confident74.7Confident6 Ų6105.3 Ų105.34%0.04155%0.545CS..  trans-69.4137.1169.3-166.30000109.8A227C222-A227 PolarHBondContact N-O 3.15Å
223R80.6Confident76.9Confident215 Ų215104.5 Ų104.581%0.81153%0.528SS*.SBendtrans-77.4-21.9174.2-66.6-177.1179.3166.5-0.1112.9
224M79.7Confident78.7Confident140 Ų14099.2 Ų99.269%0.6951%0.506SS*.SBendtrans-92.3-12.2-177.3-59.4-54.8-6300114.3H242M224-H242 HydrophobicContact CB-CB 4.08Å; M224-H242 HydrophobicContact CG-CB 4.22Å
225C84.4Confident80.4Confident45 Ų4591.1 Ų91.130%0.30447%0.472SS..SBendtrans-159.2167.5174.3760000111.4A227 H238 H242C225-A227 PolarHBondContact O-N 3.37Å; C225-A227 VanDerWaalsContact SG-CB 3.52Å; C225-H238 PolarHBondContact SG-NE2 3.02Å; C225-H242 PolarHBondContact SG-NE2 3.13Å; C225-H242 VanDerWaalsContact SG-NE2 3.36Å
226A83.9Confident81.7Confident78 Ų7887.5 Ų87.565%0.64545%0.451SS*.SBendtrans-69.713.2-177.600000115.9
227A85.1Confident82.7Confident29 Ų2984.4 Ų84.424%0.2443%0.426CS..  trans-78.2133.8-178.200000112.6C222 C225 F229C222-A227 PolarHBondContact N-O 3.15Å; C225-A227 PolarHBondContact O-N 3.37Å; C225-A227 VanDerWaalsContact SG-CB 3.52Å; A227-F229 HydrophobicContact CB-CE2 3.62Å; A227-F229 HydrophobicContact CB-CZ 3.81Å
228T87.5Confident83.2Confident76 Ų7681.6 Ų81.647%0.46641%0.405SS..EExtended strand (participates in β ladder)trans-118.7136.6178.251.90000111.1R221R221-T228 HydrophobicContact CB-CG2 4.18Å; R221-T228 HydrophobicContact CG-CG2 3.96Å
229F87.6Confident83.1Confident45 Ų4575.8 Ų75.820%0.19739%0.385CS..EExtended strand (participates in β ladder)trans-124.2151.4-175.4-59.3-90.4000110.9T219 Y220 A227 S231 D234 M235 H238T219-F229 CarbonylContact C-O 3.56Å; T219-F229 WeakPolarHBondContact CA-O 3.3Å; Y220-F229 PolarHBondContact N-O 3.42Å; Y220-F229 PolarHBondContact O-N 3.01Å; A227-F229 HydrophobicContact CB-CE2 3.62Å; A227-F229 HydrophobicContact CB-CZ 3.81Å; F229-S231 VanDerWaalsContact C-N 3.32Å; F229-D234 HydrophobicContact CB-CB 4.32Å; F229-D234 HydrophobicContact CD1-CB 3.92Å; F229-D234 HydrophobicContact CG-CB 4.4Å; F229-M235 HydrophobicContact CB-CB 4.05Å; F229-M235 HydrophobicContact CD2-CB 3.73Å; F229-M235 HydrophobicContact CD2-CG 3.89Å; F229-M235 HydrophobicContact CE2-CG 4.5Å; F229-M235 HydrophobicContact CG-CB 4.03Å; F229-H238 HydrophobicContact CE1-CB 3.87Å; F229-H238 HydrophobicContact CE2-CB 3.86Å; F229-H238 AromaticContact CE2-CD2 3.38Å; F229-H238 WeakPolarHBondContact CE2-CD2 3.49Å; F229-H238 AromaticContact CE2-CG 3.65Å; F229-H238 HydrophobicContact CZ-CB 3.38Å; F229-H238 AromaticContact CZ-CD2 3.42Å; F229-H238 VanDerWaalsContact CZ-CD2 3.42Å; F229-H238 WeakPolarHBondContact CZ-CD2 3.26Å; F229-H238 AromaticContact CZ-CG 3.2Å; F229-H238 AromaticContact CZ-ND1 3.8Å
230F86.9Confident82.7Confident164 Ų16476.4 Ų76.472%0.71938%0.381SS*.SBendtrans-88.50.5175.4-61.7-79.5000113.2T219T219-F230 HydrophobicContact CG2-CD1 3.81Å; T219-F230 HydrophobicContact CG2-CE1 3.78Å
231S85.9Confident82.2Confident40 Ų4075.5 Ų75.528%0.2839%0.387SS..SBendtrans-138.7141.4176.3-178.90000111.6F229 S233 D234 M235F229-S231 VanDerWaalsContact C-N 3.32Å; S231-S233 PolarHBondContact O-N 3.06Å; S231-S233 PolarHBondContact OG-N 3.39Å; S231-S233 PolarHBondContact OG-OG 3.43Å; S231-D234 PolarHBondContact O-N 2.87Å; S231-M235 PolarHBondContact O-N 3.08Å; S231-M235 VanDerWaalsContact O-N 3.11Å
232K83.6Confident81.5Confident88 Ų8871.8 Ų71.838%0.38338%0.376SS..Hα-helixtrans-58.6-38.3171.3-166.6174.5179.3177.40111Y220 D234 Q236Y220-K232 HydrophobicContact CD1-CB 3.88Å; Y220-K232 HydrophobicContact CD1-CG 4.12Å; Y220-K232 HydrophobicContact CD2-CB 4.5Å; Y220-K232 VanDerWaalsContact CD2-N 3.3Å; Y220-K232 HydrophobicContact CE1-CB 3.61Å; Y220-K232 HydrophobicContact CE1-CD 4.26Å; Y220-K232 HydrophobicContact CE1-CG 3.99Å; Y220-K232 HydrophobicContact CE2-CB 4.27Å; Y220-K232 HydrophobicContact CG-CB 4.31Å; K232-D234 VanDerWaalsContact C-N 3.33Å; K232-D234 PolarHBondContact O-N 3.04Å; K232-Q236 WeakPolarHBondContact O-CB 3.44Å; K232-Q236 VanDerWaalsContact O-CG 3.26Å; K232-Q236 WeakPolarHBondContact O-CG 3.46Å; K232-Q236 PolarHBondContact O-N 2.87Å
233S80.7Confident80.6Confident50 Ų5074.9 Ų74.935%0.3539%0.394SS..Hα-helixtrans-60.3-43.5177.661.30000112S231 Q236 I237S231-S233 PolarHBondContact O-N 3.06Å; S231-S233 PolarHBondContact OG-N 3.39Å; S231-S233 PolarHBondContact OG-OG 3.43Å; S233-Q236 PolarHBondContact O-N 3.28Å; S233-I237 WeakPolarHBondContact O-CD1 3.11Å; S233-I237 VanDerWaalsContact O-CG1 3.25Å; S233-I237 WeakPolarHBondContact O-CG1 3.28Å; S233-I237 PolarHBondContact O-N 2.87Å
234D81.2Confident79.8Confident78 Ų7873.6 Ų73.642%0.41740%0.398SS..Hα-helixtrans-76.1-38.4-173.2-58.6-11.6000109.9F229 S231 K232 Q236 I237 H238F229-D234 HydrophobicContact CB-CB 4.32Å; F229-D234 HydrophobicContact CD1-CB 3.92Å; F229-D234 HydrophobicContact CG-CB 4.4Å; S231-D234 PolarHBondContact O-N 2.87Å; K232-D234 VanDerWaalsContact C-N 3.33Å; K232-D234 PolarHBondContact O-N 3.04Å; D234-Q236 VanDerWaalsContact C-N 3.33Å; D234-Q236 PolarHBondContact O-N 2.96Å; D234-I237 PolarHBondContact O-N 2.9Å; D234-H238 VanDerWaalsContact O-CB 3.26Å; D234-H238 WeakPolarHBondContact O-CB 3.38Å; D234-H238 PolarHBondContact O-N 3Å
235M84.1Confident79Confident38 Ų3870 Ų7019%0.18739%0.391CS..Hα-helixtrans-60.6-40.6168.5-169.7-123.364.500111.8F229 S231 H238 S239F229-M235 HydrophobicContact CB-CB 4.05Å; F229-M235 HydrophobicContact CD2-CB 3.73Å; F229-M235 HydrophobicContact CD2-CG 3.89Å; F229-M235 HydrophobicContact CE2-CG 4.5Å; F229-M235 HydrophobicContact CG-CB 4.03Å; S231-M235 PolarHBondContact O-N 3.08Å; S231-M235 VanDerWaalsContact O-N 3.11Å; M235-H238 PolarHBondContact O-N 2.9Å; M235-S239 WeakPolarHBondContact O-CB 3.39Å; M235-S239 PolarHBondContact O-N 3.33Å; M235-S239 PolarHBondContact O-OG 3.36Å
236Q78.8Confident78.6Confident59 Ų5972.7 Ų72.728%0.27640%0.397SS..Hα-helixtrans-70.9-35.3178.4-78.7176.2-29.900112.8Y202 K232 S233 D234 H238 S239 K240Y202-Q236 PolarHBondContact OH-NE2 2.85Å; K232-Q236 WeakPolarHBondContact O-CB 3.44Å; K232-Q236 VanDerWaalsContact O-CG 3.26Å; K232-Q236 WeakPolarHBondContact O-CG 3.46Å; K232-Q236 PolarHBondContact O-N 2.87Å; S233-Q236 PolarHBondContact O-N 3.28Å; D234-Q236 VanDerWaalsContact C-N 3.33Å; D234-Q236 PolarHBondContact O-N 2.96Å; Q236-H238 VanDerWaalsContact C-N 3.33Å; Q236-S239 WeakPolarHBondContact CA-OG 3.44Å; Q236-S239 PolarHBondContact O-OG 3.41Å; Q236-S239 VanDerWaalsContact O-OG 3.07Å; Q236-K240 VanDerWaalsContact O-CG 3.32Å; Q236-K240 WeakPolarHBondContact O-CG 3.35Å; Q236-K240 PolarHBondContact O-N 2.87Å
237I77.1Confident78.2Confident41 Ų4173 Ų7321%0.2139%0.392CS..Hα-helixtrans-69.1-37.1172.6-68.7160.3000110S233 D234 N259 Y262S233-I237 WeakPolarHBondContact O-CD1 3.11Å; S233-I237 VanDerWaalsContact O-CG1 3.25Å; S233-I237 WeakPolarHBondContact O-CG1 3.28Å; S233-I237 PolarHBondContact O-N 2.87Å; D234-I237 PolarHBondContact O-N 2.9Å; I237-N259 HydrophobicContact CG2-CB 4.24Å; I237-Y262 HydrophobicContact CG2-CE2 3.94Å
238H79.6Confident78.1Confident44 Ų4474.6 Ų74.620%0.20440%0.395CS..Hα-helixtrans-71.5-39.2175.5173.370.3000113.2C225 F229 D234 M235 Q236 K240 S241 H242C225-H238 PolarHBondContact SG-NE2 3.02Å; F229-H238 HydrophobicContact CE1-CB 3.87Å; F229-H238 HydrophobicContact CE2-CB 3.86Å; F229-H238 AromaticContact CE2-CD2 3.38Å; F229-H238 WeakPolarHBondContact CE2-CD2 3.49Å; F229-H238 AromaticContact CE2-CG 3.65Å; F229-H238 HydrophobicContact CZ-CB 3.38Å; F229-H238 AromaticContact CZ-CD2 3.42Å; F229-H238 VanDerWaalsContact CZ-CD2 3.42Å; F229-H238 WeakPolarHBondContact CZ-CD2 3.26Å; F229-H238 AromaticContact CZ-CG 3.2Å; F229-H238 AromaticContact CZ-ND1 3.8Å; D234-H238 VanDerWaalsContact O-CB 3.26Å; D234-H238 WeakPolarHBondContact O-CB 3.38Å; D234-H238 PolarHBondContact O-N 3Å; M235-H238 PolarHBondContact O-N 2.9Å; Q236-H238 VanDerWaalsContact C-N 3.33Å; H238-K240 PolarHBondContact O-N 3.13Å; H238-S241 WeakPolarHBondContact O-CA 3.43Å; H238-S241 VanDerWaalsContact O-CB 3.29Å; H238-S241 WeakPolarHBondContact O-CB 3.42Å; H238-S241 PolarHBondContact O-N 2.98Å; H238-S241 PolarHBondContact O-OG 3.28Å; H238-H242 AromaticContact CD2-NE2 3.85Å; H238-H242 AromaticContact CE1-NE2 3.48Å; H238-H242 PolarHBondContact CE1-NE2 3.16Å; H238-H242 AromaticContact NE2-CD2 3.84Å; H238-H242 AromaticContact NE2-CE1 3.96Å; H238-H242 AromaticContact NE2-NE2 3Å; H238-H242 PolarHBondContact NE2-NE2 3.26Å
239S77.2Confident77.9Confident37 Ų3778.5 Ų78.526%0.25941%0.405SS..Hα-helixtrans-62.3-34.3177.263.70000111.8M235 Q236 S241 H242 T243M235-S239 WeakPolarHBondContact O-CB 3.39Å; M235-S239 PolarHBondContact O-N 3.33Å; M235-S239 PolarHBondContact O-OG 3.36Å; Q236-S239 WeakPolarHBondContact CA-OG 3.44Å; Q236-S239 PolarHBondContact O-OG 3.41Å; Q236-S239 VanDerWaalsContact O-OG 3.07Å; S239-S241 PolarHBondContact O-N 3.14Å; S239-S241 VanDerWaalsContact O-N 3.08Å; S239-H242 PolarHBondContact O-N 3.1Å; S239-T243 PolarHBondContact O-N 3.36Å
240K77.3Confident78Confident92 Ų9276.9 Ų76.940%0.440%0.399SS..THydrogen-bonded Turntrans-63.6-4.5168.9-68.5172-176-176.90115.1Q236 H238 T243 A258Q236-K240 VanDerWaalsContact O-CG 3.32Å; Q236-K240 WeakPolarHBondContact O-CG 3.35Å; Q236-K240 PolarHBondContact O-N 2.87Å; H238-K240 PolarHBondContact O-N 3.13Å; K240-T243 WeakPolarHBondContact CA-OG1 3.37Å; K240-T243 PolarHBondContact O-OG1 3.37Å; K240-A258 HydrophobicContact CB-CB 3.82Å
241S72.9Confident77.9Confident64 Ų6473.6 Ų73.645%0.44839%0.394SS..THydrogen-bonded Turntrans-90.7-19.6170.174.60000113.6H238 S239H238-S241 WeakPolarHBondContact O-CA 3.43Å; H238-S241 VanDerWaalsContact O-CB 3.29Å; H238-S241 WeakPolarHBondContact O-CB 3.42Å; H238-S241 PolarHBondContact O-N 2.98Å; H238-S241 PolarHBondContact O-OG 3.28Å; S239-S241 PolarHBondContact O-N 3.14Å; S239-S241 VanDerWaalsContact O-N 3.08Å
242H71Confident78Confident78 Ų7877.1 Ų77.136%0.36141%0.406SS..THydrogen-bonded Turntrans-85.7-29.4172.8-61.9-66.2000112.3M224 C225 H238 S239M224-H242 HydrophobicContact CB-CB 4.08Å; M224-H242 HydrophobicContact CG-CB 4.22Å; C225-H242 PolarHBondContact SG-NE2 3.13Å; C225-H242 VanDerWaalsContact SG-NE2 3.36Å; H238-H242 AromaticContact CD2-NE2 3.85Å; H238-H242 AromaticContact CE1-NE2 3.48Å; H238-H242 PolarHBondContact CE1-NE2 3.16Å; H238-H242 AromaticContact NE2-CD2 3.84Å; H238-H242 AromaticContact NE2-CE1 3.96Å; H238-H242 AromaticContact NE2-NE2 3Å; H238-H242 PolarHBondContact NE2-NE2 3.26Å; S239-H242 PolarHBondContact O-N 3.1Å
243T68.4Low78.2Confident71 Ų7174.8 Ų74.844%0.43640%0.4SS..SBendtrans-80.9133.7168.359.70000110S239 K240 A245S239-T243 PolarHBondContact O-N 3.36Å; K240-T243 WeakPolarHBondContact CA-OG1 3.37Å; K240-T243 PolarHBondContact O-OG1 3.37Å; T243-A245 PolarHBondContact O-N 2.98Å
244E62.4Low78.5Confident188 Ų18877.3 Ų77.388%0.87943%0.425SS*.SBendtrans-62.9-15.2175.5-60.3-163.514200113.7K246E244-K246 VanDerWaalsContact C-N 3.31Å; E244-K246 PolarHBondContact O-N 3.38Å
245A64.3Low78.5Confident66 Ų6679.4 Ų79.455%0.54543%0.43SS..  trans-59.585.1170.900000112.5T243 P247T243-A245 PolarHBondContact O-N 2.98Å; A245-P247 VanDerWaalsContact O-CD 3.3Å; A245-P247 WeakPolarHBondContact O-CD 3.36Å
246K74.8Confident78.6Confident101 Ų10179.3 Ų79.344%0.43943%0.433SS..  trans-98.691.3167.4-74.2156.8176.1164.20108.7E244 H248 S256 F257E244-K246 VanDerWaalsContact C-N 3.31Å; E244-K246 PolarHBondContact O-N 3.38Å; K246-H248 VanDerWaalsContact C-N 3.26Å; K246-H248 PolarHBondContact O-N 2.93Å; K246-S256 WeakPolarHBondContact CD-O 3.36Å; K246-F257 CarbonylContact C-O 3.59Å
247P76.4Confident78.7Confident83 Ų8378.5 Ų78.554%0.53943%0.429SS..  trans-70.3-25.2-166-1833.8000112.9A245 K249A245-P247 VanDerWaalsContact O-CD 3.3Å; A245-P247 WeakPolarHBondContact O-CD 3.36Å; P247-K249 PolarHBondContact O-N 2.4Å
248H81.6Confident78.9Confident63 Ų6377.4 Ų77.429%0.29243%0.425SS..EExtended strand (participates in β ladder)trans-97.383.1-172-55.2-73.7000110.5K246 S256 F257 N259 S260 L263K246-H248 VanDerWaalsContact C-N 3.26Å; K246-H248 PolarHBondContact O-N 2.93Å; H248-S256 WeakPolarHBondContact O-CA 3.45Å; H248-F257 HydrophobicContact CB-CB 4.4Å; H248-F257 WeakPolarHBondContact CB-O 3.49Å; H248-F257 PolarHBondContact N-O 2.99Å; H248-F257 VanDerWaalsContact N-O 3.13Å; H248-F257 PolarHBondContact O-N 3.24Å; H248-N259 VanDerWaalsContact CD2-CA 3.49Å; H248-N259 WeakPolarHBondContact CD2-CA 3.49Å; H248-S260 PolarHBondContact CD2-N 3.06Å; H248-S260 PolarHBondContact NE2-N 2.89Å; H248-L263 HydrophobicContact CB-CB 4.01Å; H248-L263 HydrophobicContact CB-CD2 3.79Å
249K84.5Confident79Confident158 Ų15877 Ų7769%0.68743%0.425SS*.EExtended strand (participates in β ladder)trans-71.4143.9176.6-52.7-167.1177.8178.60111.2P247 S256 L263P247-K249 PolarHBondContact O-N 2.4Å; K249-S256 WeakPolarHBondContact CG-OG 3.38Å; K249-L263 WeakPolarHBondContact O-CD2 3.29Å
250C88.5Confident79.4Confident11 Ų1178.1 Ų78.17%0.07443%0.433CS..  trans-80.1133.4172.5-176.30000111H252 C253 K255 F257 L263 H266 H270C250-H252 PolarHBondContact O-N 3.1Å; C250-H252 PolarHBondContact SG-N 3.39Å; C250-H252 VanDerWaalsContact SG-N 3.45Å; C250-C253 WeakPolarHBondContact CB-O 3.46Å; C250-K255 WeakPolarHBondContact CB-O 3.1Å; C250-K255 PolarHBondContact N-O 3.44Å; C250-F257 HydrophobicContact CB-CE2 4.46Å; C250-L263 HydrophobicContact CB-CD1 3.89Å; C250-H266 VanDerWaalsContact SG-CD2 3.54Å; C250-H266 PolarHBondContact SG-NE2 2.63Å; C250-H270 PolarHBondContact SG-NE2 3.19Å
251P86.4Confident79.8Confident95 Ų9577.2 Ų77.262%0.61744%0.438SS*.THydrogen-bonded Turntrans-72.8-12.7176.829.3-35.5000113.8
252H86.9Confident80.3Confident115 Ų11580.1 Ų80.153%0.53244%0.44SS..THydrogen-bonded Turntrans-112.7-4.9-174.5-53.7-57.3000114.1C250 H270C250-H252 PolarHBondContact O-N 3.1Å; C250-H252 PolarHBondContact SG-N 3.39Å; C250-H252 VanDerWaalsContact SG-N 3.45Å; H252-H270 HydrophobicContact CB-CB 4.17Å; H252-H270 AromaticContact CD2-CG 3.87Å; H252-H270 AromaticContact CG-CG 4Å; H252-H270 PolarHBondContact O-CE1 2.66Å; H252-H270 VanDerWaalsContact O-CE1 3.27Å
253C88.9Confident81.1Confident38 Ų3877.6 Ų77.626%0.25743%0.429SS..SBendtrans-162.2165.3174.170.10000111.5C250 K255 H266 H270C250-C253 WeakPolarHBondContact CB-O 3.46Å; C253-K255 PolarHBondContact O-N 2.98Å; C253-H266 PolarHBondContact SG-NE2 3.06Å; C253-H270 WeakPolarHBondContact CB-CE1 3.47Å; C253-H270 VanDerWaalsContact SG-CE1 3.6Å; C253-H270 PolarHBondContact SG-NE2 2.9Å
254A85.6Confident82Confident104 Ų10477 Ų7786%0.8643%0.432SS*.SBendtrans-64.70.4-179.500000115.8
255K82.2Confident83.2Confident121 Ų12171 Ų7153%0.52640%0.403SS..  trans-76.6132.2-178.4-63.3-175.5179.3-1790111C250 C253 F257C250-K255 WeakPolarHBondContact CB-O 3.1Å; C250-K255 PolarHBondContact N-O 3.44Å; C253-K255 PolarHBondContact O-N 2.98Å; K255-F257 HydrophobicContact CB-CE2 4.01Å; K255-F257 HydrophobicContact CB-CZ 4.02Å
256S84.8Confident84.3Confident36 Ų3668.8 Ų68.825%0.25238%0.382SS..EExtended strand (participates in β ladder)trans-124.1146.6178.6-54.40000110.4K246 H248 K249K246-S256 WeakPolarHBondContact CD-O 3.36Å; H248-S256 WeakPolarHBondContact O-CA 3.45Å; K249-S256 WeakPolarHBondContact CG-OG 3.38Å
257F82.9Confident85Confident43 Ų4366.6 Ų66.619%0.18937%0.374CS..EExtended strand (participates in β ladder)trans-123.5148.1-170.9-59.3-89000112K246 H248 C250 K255 N259 L263 H266K246-F257 CarbonylContact C-O 3.59Å; H248-F257 HydrophobicContact CB-CB 4.4Å; H248-F257 WeakPolarHBondContact CB-O 3.49Å; H248-F257 PolarHBondContact N-O 2.99Å; H248-F257 VanDerWaalsContact N-O 3.13Å; H248-F257 PolarHBondContact O-N 3.24Å; C250-F257 HydrophobicContact CB-CE2 4.46Å; K255-F257 HydrophobicContact CB-CE2 4.01Å; K255-F257 HydrophobicContact CB-CZ 4.02Å; F257-N259 VanDerWaalsContact C-N 3.25Å; F257-N259 PolarHBondContact O-N 3.08Å; F257-L263 HydrophobicContact CB-CB 4.3Å; F257-L263 HydrophobicContact CD2-CB 3.96Å; F257-L263 HydrophobicContact CD2-CD1 3.86Å; F257-L263 HydrophobicContact CE2-CD1 4.11Å; F257-L263 HydrophobicContact CG-CB 4.32Å; F257-H266 HydrophobicContact CE1-CB 4.04Å; F257-H266 HydrophobicContact CE2-CB 3.79Å; F257-H266 AromaticContact CE2-CD2 3.41Å; F257-H266 VanDerWaalsContact CE2-CD2 3.41Å; F257-H266 WeakPolarHBondContact CE2-CD2 3.46Å; F257-H266 AromaticContact CE2-CG 3.54Å; F257-H266 HydrophobicContact CZ-CB 3.48Å; F257-H266 VanDerWaalsContact CZ-CB 3.48Å; F257-H266 AromaticContact CZ-CD2 3.56Å; F257-H266 AromaticContact CZ-CG 3.23Å; F257-H266 AromaticContact CZ-ND1 3.63Å
258A81.1Confident85.7Confident17 Ų1765.3 Ų65.314%0.1436%0.359CS..SBendtrans-72.9-14.2176.800000114K240K240-A258 HydrophobicContact CB-CB 3.82Å
259N81.9Confident86Confident35 Ų3565.6 Ų65.619%0.18736%0.362CS..SBendtrans-145.5141.3-179-175.72.5000111.1I237 H248 F257 S261 Y262 L263I237-N259 HydrophobicContact CG2-CB 4.24Å; H248-N259 VanDerWaalsContact CD2-CA 3.49Å; H248-N259 WeakPolarHBondContact CD2-CA 3.49Å; F257-N259 VanDerWaalsContact C-N 3.25Å; F257-N259 PolarHBondContact O-N 3.08Å; N259-S261 VanDerWaalsContact C-N 3.27Å; N259-S261 PolarHBondContact O-N 2.96Å; N259-S261 PolarHBondContact OD1-N 3.19Å; N259-Y262 HydrophobicContact CB-CD2 3.91Å; N259-Y262 HydrophobicContact CB-CE2 4.49Å; N259-Y262 PolarHBondContact O-N 3.26Å; N259-L263 PolarHBondContact O-N 3.17Å
260S84.7Confident86.2Confident61 Ų6162.3 Ų62.343%0.42735%0.348SS..Hα-helixtrans-58-34.8175.6620000112.7H248 Y262 L263 A264H248-S260 PolarHBondContact CD2-N 3.06Å; H248-S260 PolarHBondContact NE2-N 2.89Å; S260-Y262 VanDerWaalsContact C-N 3.33Å; S260-Y262 PolarHBondContact O-N 3.46Å; S260-L263 PolarHBondContact O-N 3.04Å; S260-A264 WeakPolarHBondContact O-CB 3.45Å; S260-A264 PolarHBondContact O-N 2.75Å
261S85Confident86.2Confident74 Ų7465.6 Ų65.652%0.51737%0.372SS..Hα-helixtrans-63.6-37177.8-44.10000112.7N259 Q265N259-S261 VanDerWaalsContact C-N 3.27Å; N259-S261 PolarHBondContact O-N 2.96Å; N259-S261 PolarHBondContact OD1-N 3.19Å; S261-Q265 WeakPolarHBondContact O-CB 3.21Å; S261-Q265 PolarHBondContact O-N 3.02Å
262Y85Confident86.3Confident125 Ų12562.7 Ų62.749%0.4936%0.359SS..Hα-helixtrans-72.9-37.8174.4-68.5-49.9000111.7I237 N259 S260 Q265 H266I237-Y262 HydrophobicContact CG2-CE2 3.94Å; N259-Y262 HydrophobicContact CB-CD2 3.91Å; N259-Y262 HydrophobicContact CB-CE2 4.49Å; N259-Y262 PolarHBondContact O-N 3.26Å; S260-Y262 VanDerWaalsContact C-N 3.33Å; S260-Y262 PolarHBondContact O-N 3.46Å; Y262-Q265 PolarHBondContact O-N 3.13Å; Y262-H266 WeakPolarHBondContact O-CB 3.46Å; Y262-H266 PolarHBondContact O-N 2.96Å
263L87.3Confident86.4Confident24 Ų2459.2 Ų59.213%0.12635%0.351CS..Hα-helixtrans-60.4-48.1171.7172.860.7000111.3H248 K249 C250 F257 N259 S260 Q265 H266 I267H248-L263 HydrophobicContact CB-CB 4.01Å; H248-L263 HydrophobicContact CB-CD2 3.79Å; K249-L263 WeakPolarHBondContact O-CD2 3.29Å; C250-L263 HydrophobicContact CB-CD1 3.89Å; F257-L263 HydrophobicContact CB-CB 4.3Å; F257-L263 HydrophobicContact CD2-CB 3.96Å; F257-L263 HydrophobicContact CD2-CD1 3.86Å; F257-L263 HydrophobicContact CE2-CD1 4.11Å; F257-L263 HydrophobicContact CG-CB 4.32Å; N259-L263 PolarHBondContact O-N 3.17Å; S260-L263 PolarHBondContact O-N 3.04Å; L263-Q265 VanDerWaalsContact C-N 3.3Å; L263-Q265 PolarHBondContact O-N 3.43Å; L263-H266 CarbonylContact O-C 3.56Å; L263-H266 WeakPolarHBondContact O-CA 3.32Å; L263-H266 WeakPolarHBondContact O-CB 3.42Å; L263-H266 PolarHBondContact O-N 3.41Å; L263-I267 HydrophobicContact CD1-CD1 3.88Å; L263-I267 HydrophobicContact CD1-CG1 3.92Å; L263-I267 HydrophobicContact CD2-CD1 4.43Å; L263-I267 HydrophobicContact CG-CD1 3.82Å; L263-I267 HydrophobicContact CG-CG1 4.33Å; L263-I267 WeakPolarHBondContact O-CG1 3.48Å; L263-I267 PolarHBondContact O-N 3.34Å
264A86.7Confident86.5Confident59 Ų5962.9 Ų62.949%0.48836%0.362SS..Hα-helixtrans-60.6-39.2177.300000111.9S260 H266S260-A264 WeakPolarHBondContact O-CB 3.45Å; S260-A264 PolarHBondContact O-N 2.75Å; A264-H266 VanDerWaalsContact C-N 3.34Å
265Q87.5Confident86.7Confident62 Ų6261.7 Ų61.729%0.2935%0.346SS..Hα-helixtrans-64.1-37.6171.7178.8176.487.200112.7S261 Y262 L263 Q287S261-Q265 WeakPolarHBondContact O-CB 3.21Å; S261-Q265 PolarHBondContact O-N 3.02Å; Y262-Q265 PolarHBondContact O-N 3.13Å; L263-Q265 VanDerWaalsContact C-N 3.3Å; L263-Q265 PolarHBondContact O-N 3.43Å; Q265-Q287 HydrophobicContact CG-CG 4.39Å
266H88.5Confident87.1Confident20 Ų2059.6 Ų59.69%0.09334%0.335CS..Hα-helixtrans-72.2-36.3177.4173.171.7000113.2C250 C253 F257 Y262 L263 A264 R268 I269 H270C250-H266 VanDerWaalsContact SG-CD2 3.54Å; C250-H266 PolarHBondContact SG-NE2 2.63Å; C253-H266 PolarHBondContact SG-NE2 3.06Å; F257-H266 HydrophobicContact CE1-CB 4.04Å; F257-H266 HydrophobicContact CE2-CB 3.79Å; F257-H266 AromaticContact CE2-CD2 3.41Å; F257-H266 VanDerWaalsContact CE2-CD2 3.41Å; F257-H266 WeakPolarHBondContact CE2-CD2 3.46Å; F257-H266 AromaticContact CE2-CG 3.54Å; F257-H266 HydrophobicContact CZ-CB 3.48Å; F257-H266 VanDerWaalsContact CZ-CB 3.48Å; F257-H266 AromaticContact CZ-CD2 3.56Å; F257-H266 AromaticContact CZ-CG 3.23Å; F257-H266 AromaticContact CZ-ND1 3.63Å; Y262-H266 WeakPolarHBondContact O-CB 3.46Å; Y262-H266 PolarHBondContact O-N 2.96Å; L263-H266 CarbonylContact O-C 3.56Å; L263-H266 WeakPolarHBondContact O-CA 3.32Å; L263-H266 WeakPolarHBondContact O-CB 3.42Å; L263-H266 PolarHBondContact O-N 3.41Å; A264-H266 VanDerWaalsContact C-N 3.34Å; H266-R268 PolarHBondContact O-N 3.23Å; H266-I269 WeakPolarHBondContact O-CA 3.45Å; H266-I269 WeakPolarHBondContact O-CB 3.2Å; H266-I269 VanDerWaalsContact O-CG1 3.29Å; H266-I269 WeakPolarHBondContact O-CG1 3.17Å; H266-I269 PolarHBondContact O-N 3.02Å; H266-H270 AromaticContact CD2-NE2 3.39Å; H266-H270 PolarHBondContact CD2-NE2 3.39Å; H266-H270 AromaticContact CE1-NE2 3.05Å; H266-H270 PolarHBondContact CE1-NE2 3.45Å; H266-H270 AromaticContact NE2-CD2 3.76Å; H266-H270 AromaticContact NE2-NE2 2.36Å; H266-H270 PolarHBondContact NE2-NE2 3.39Å
267I88.9Confident87.5Confident54 Ų5460.9 Ų60.928%0.27734%0.341SS..Hα-helixtrans-59.9-31177.6-71.5165.5000111.4L263 I269 H270 S271L263-I267 HydrophobicContact CD1-CD1 3.88Å; L263-I267 HydrophobicContact CD1-CG1 3.92Å; L263-I267 HydrophobicContact CD2-CD1 4.43Å; L263-I267 HydrophobicContact CG-CD1 3.82Å; L263-I267 HydrophobicContact CG-CG1 4.33Å; L263-I267 WeakPolarHBondContact O-CG1 3.48Å; L263-I267 PolarHBondContact O-N 3.34Å; I267-I269 PolarHBondContact O-N 3.46Å; I267-H270 PolarHBondContact O-N 3.34Å; I267-S271 PolarHBondContact O-N 2.99Å; I267-S271 PolarHBondContact O-OG 3.33Å
268R90.6Very high87.9Confident56 Ų5659 Ų5921%0.21133%0.333CS..Hα-helixtrans-59.7-13.3170.1-64.5-172.9-76.8-157-10.3114.5H266 G272 A273 R286H266-R268 PolarHBondContact O-N 3.23Å; R268-G272 CarbonylContact O-C 3.26Å; R268-G272 PolarHBondContact O-N 3.03Å; R268-A273 HydrophobicContact CB-CB 4.47Å; R268-A273 HydrophobicContact CG-CB 4.29Å; R268-A273 PolarHBondContact O-N 3.08Å; R268-R286 PolarHBondContact NE-O 3.43Å; R268-R286 PolarHBondContact NH1-O 3.33Å; R268-R286 WeakPolarHBondContact O-CD 3.47Å; R268-R286 PolarHBondContact O-NE 3.06Å
269I89Confident88.2Confident70 Ų7062.4 Ų62.436%0.35936%0.356SS..Hα-helixtrans-71-51.5169.9-57.3-176.2000109.9H266 I267 G272 R286H266-I269 WeakPolarHBondContact O-CA 3.45Å; H266-I269 WeakPolarHBondContact O-CB 3.2Å; H266-I269 VanDerWaalsContact O-CG1 3.29Å; H266-I269 WeakPolarHBondContact O-CG1 3.17Å; H266-I269 PolarHBondContact O-N 3.02Å; I267-I269 PolarHBondContact O-N 3.46Å; I269-G272 PolarHBondContact O-N 2.78Å; I269-R286 PolarHBondContact O-NH2 3.06Å
270H88.6Confident88.5Confident88 Ų8867.8 Ų67.841%0.40738%0.375SS..Hα-helixtrans-68.8-46.4-178.6-63-73.8000112.7C250 H252 C253 H266 I267 G272C250-H270 PolarHBondContact SG-NE2 3.19Å; H252-H270 HydrophobicContact CB-CB 4.17Å; H252-H270 AromaticContact CD2-CG 3.87Å; H252-H270 AromaticContact CG-CG 4Å; H252-H270 PolarHBondContact O-CE1 2.66Å; H252-H270 VanDerWaalsContact O-CE1 3.27Å; C253-H270 WeakPolarHBondContact CB-CE1 3.47Å; C253-H270 VanDerWaalsContact SG-CE1 3.6Å; C253-H270 PolarHBondContact SG-NE2 2.9Å; H266-H270 AromaticContact CD2-NE2 3.39Å; H266-H270 PolarHBondContact CD2-NE2 3.39Å; H266-H270 AromaticContact CE1-NE2 3.05Å; H266-H270 PolarHBondContact CE1-NE2 3.45Å; H266-H270 AromaticContact NE2-CD2 3.76Å; H266-H270 AromaticContact NE2-NE2 2.36Å; H266-H270 PolarHBondContact NE2-NE2 3.39Å; I267-H270 PolarHBondContact O-N 3.34Å; H270-G272 PolarHBondContact O-N 3.39Å
271S88.4Confident88.7Confident80 Ų8067.1 Ų67.156%0.55937%0.37SS*.THydrogen-bonded Turntrans-74.7-2.7177.966.40000114.4I267 A273I267-S271 PolarHBondContact O-N 2.99Å; I267-S271 PolarHBondContact O-OG 3.33Å; S271-A273 PolarHBondContact O-N 2.91Å; S271-A273 WeakPolarHBondContact OG-CB 3.44Å
272G87.8Confident89Confident35 Ų3570 Ų7036%0.36138%0.375SS..  trans66.3-4.8-174.500000115.4R268 I269 H270 K274R268-G272 CarbonylContact O-C 3.26Å; R268-G272 PolarHBondContact O-N 3.03Å; I269-G272 PolarHBondContact O-N 2.78Å; H270-G272 PolarHBondContact O-N 3.39Å; G272-K274 WeakPolarHBondContact O-CG 3.39Å; G272-K274 PolarHBondContact O-N 2.81Å
273A89.3Confident89.2Confident42 Ų4269.5 Ų69.535%0.34738%0.375SS..  trans-58.8119-168.400000113.5R268 S271 P275R268-A273 HydrophobicContact CB-CB 4.47Å; R268-A273 HydrophobicContact CG-CB 4.29Å; R268-A273 PolarHBondContact O-N 3.08Å; S271-A273 PolarHBondContact O-N 2.91Å; S271-A273 WeakPolarHBondContact OG-CB 3.44Å; A273-P275 WeakPolarHBondContact O-CD 3.39Å
274K90.8Very high89.5Confident115 Ų11570.4 Ų70.450%0.538%0.384SS..  trans-121.675.7-179.2-71.7157.7176.91780110.4G272 Y276 S284 F285 R286G272-K274 WeakPolarHBondContact O-CG 3.39Å; G272-K274 PolarHBondContact O-N 2.81Å; K274-Y276 PolarHBondContact O-N 3.34Å; K274-Y276 VanDerWaalsContact O-N 3.16Å; K274-S284 WeakPolarHBondContact CD-O 3.39Å; K274-S284 WeakPolarHBondContact O-CB 3.44Å; K274-F285 CarbonylContact C-O 3.59Å; K274-F285 VanDerWaalsContact C-O 3.26Å; K274-F285 VanDerWaalsContact CA-O 3.31Å; K274-F285 WeakPolarHBondContact CA-O 3.25Å; K274-R286 HydrophobicContact CG-CG 3.94Å
275P89.6Confident89.7Confident79 Ų7969.7 Ų69.751%0.51337%0.37SS..  trans-71.7-7.2-170.927.8-34.9000115.2A273A273-P275 WeakPolarHBondContact O-CD 3.39Å
276Y91.7Very high89.8Confident76 Ų7670.9 Ų70.930%0.29837%0.371SS..EExtended strand (participates in β ladder)trans-112.299.4-176.1-52.3-73.8000111.1K274 S284 F285 L288K274-Y276 PolarHBondContact O-N 3.34Å; K274-Y276 VanDerWaalsContact O-N 3.16Å; Y276-S284 CarbonylContact O-C 3.52Å; Y276-S284 WeakPolarHBondContact O-CA 3.15Å; Y276-F285 PolarHBondContact N-O 2.83Å; Y276-F285 PolarHBondContact O-N 3.18Å; Y276-L288 HydrophobicContact CD1-CB 3.98Å; Y276-L288 HydrophobicContact CD1-CD1 3.95Å; Y276-L288 HydrophobicContact CD2-CB 4.44Å; Y276-L288 VanDerWaalsContact CD2-N 3.3Å; Y276-L288 HydrophobicContact CE1-CB 3.84Å; Y276-L288 HydrophobicContact CE1-CD1 4.36Å; Y276-L288 HydrophobicContact CE2-CB 4.29Å; Y276-L288 VanDerWaalsContact CE2-N 3.34Å; Y276-L288 HydrophobicContact CG-CB 4.28Å
277T92Very high89.9Confident63 Ų6372 Ų7239%0.38738%0.377SS..EExtended strand (participates in β ladder)trans-94.9139.6-178.8-58.50000112.4Q282 S284T277-Q282 HydrophobicContact CG2-CB 4.49Å; T277-S284 PolarHBondContact OG1-OG 3.36Å
278C91.4Very high89.9Confident3 Ų373.3 Ų73.32%0.0238%0.384CS..  trans-82.4119.4175.7-174.80000111.6Y280 C281 Q282 K283 F285 L291C278-Y280 VanDerWaalsContact C-N 3.27Å; C278-Y280 PolarHBondContact O-N 3.29Å; C278-C281 PolarHBondContact O-N 3.22Å; C278-Q282 WeakPolarHBondContact O-CA 3.37Å; C278-Q282 PolarHBondContact O-N 3.3Å; C278-K283 WeakPolarHBondContact CB-O 3.37Å; C278-K283 PolarHBondContact N-O 3.15Å; C278-F285 HydrophobicContact CB-CE2 4.3Å; C278-L291 HydrophobicContact CB-CD1 3.52Å
279S88.4Confident89.7Confident89 Ų8973.2 Ų73.262%0.62239%0.392SS*.THydrogen-bonded Turntrans-56.4-35.6177.948.20000114.1Q282S279-Q282 PolarHBondContact O-NE2 3.08Å
280Y87.2Confident89.7Confident148 Ų14873.6 Ų73.658%0.5839%0.392SS*.THydrogen-bonded Turntrans-74.4-29.7-175.3-62.1-77.5000114.8C278 H298C278-Y280 VanDerWaalsContact C-N 3.27Å; C278-Y280 PolarHBondContact O-N 3.29Å; Y280-H298 HydrophobicContact CD1-CB 4.29Å; Y280-H298 HydrophobicContact CD2-CB 3.82Å; Y280-H298 AromaticContact CD2-CD2 3.91Å; Y280-H298 HydrophobicContact CE2-CB 4.32Å; Y280-H298 HydrophobicContact CG-CB 3.8Å; Y280-H298 AromaticContact CG-CG 3.88Å
281C89.2Confident89.8Confident47 Ų4770.8 Ų70.832%0.31838%0.38SS..THydrogen-bonded Turntrans-145.814.3-172.975.60000114.5C278 K283 H294 H298C278-C281 PolarHBondContact O-N 3.22Å; C281-K283 PolarHBondContact O-N 2.96Å; C281-H294 PolarHBondContact SG-NE2 3.34Å; C281-H298 PolarHBondContact SG-NE2 3.15Å
282Q91.3Very high89.7Confident135 Ų13572.1 Ų72.163%0.63138%0.377SS*.  trans51.819.6179-53.1-58-17.300116T277 C278 S279T277-Q282 HydrophobicContact CG2-CB 4.49Å; C278-Q282 WeakPolarHBondContact O-CA 3.37Å; C278-Q282 PolarHBondContact O-N 3.3Å; S279-Q282 PolarHBondContact O-NE2 3.08Å
283K89.9Confident89.5Confident114 Ų11473.9 Ų73.950%0.49638%0.376SS..  trans-77.1125.5174.9-72.6-177.4-179.4-1770109.9C278 C281 F285C278-K283 WeakPolarHBondContact CB-O 3.37Å; C278-K283 PolarHBondContact N-O 3.15Å; C281-K283 PolarHBondContact O-N 2.96Å; K283-F285 HydrophobicContact CB-CE2 4Å; K283-F285 HydrophobicContact CB-CZ 4.18Å; K283-F285 WeakPolarHBondContact O-CD2 3.17Å; K283-F285 WeakPolarHBondContact O-CE2 3.45Å
284S92.6Very high89.4Confident43 Ų4373.4 Ų73.430%0.30137%0.367SS..EExtended strand (participates in β ladder)trans-100.7140.8-178.6-44.80000113.3K274 Y276 T277K274-S284 WeakPolarHBondContact CD-O 3.39Å; K274-S284 WeakPolarHBondContact O-CB 3.44Å; Y276-S284 CarbonylContact O-C 3.52Å; Y276-S284 WeakPolarHBondContact O-CA 3.15Å; T277-S284 PolarHBondContact OG1-OG 3.36Å
285F90.6Very high89.1Confident44 Ų4469.6 Ų69.619%0.19336%0.355CS..EExtended strand (participates in β ladder)trans-121.6149.7-174.2-62.1-89.5000111.8K274 Y276 C278 K283 Q287 H290 L291 H294K274-F285 CarbonylContact C-O 3.59Å; K274-F285 VanDerWaalsContact C-O 3.26Å; K274-F285 VanDerWaalsContact CA-O 3.31Å; K274-F285 WeakPolarHBondContact CA-O 3.25Å; Y276-F285 PolarHBondContact N-O 2.83Å; Y276-F285 PolarHBondContact O-N 3.18Å; C278-F285 HydrophobicContact CB-CE2 4.3Å; K283-F285 HydrophobicContact CB-CE2 4Å; K283-F285 HydrophobicContact CB-CZ 4.18Å; K283-F285 WeakPolarHBondContact O-CD2 3.17Å; K283-F285 WeakPolarHBondContact O-CE2 3.45Å; F285-Q287 VanDerWaalsContact C-N 3.3Å; F285-H290 HydrophobicContact CB-CB 4.38Å; F285-H290 HydrophobicContact CD1-CB 4Å; F285-H290 HydrophobicContact CG-CB 4.45Å; F285-L291 HydrophobicContact CB-CB 4.31Å; F285-L291 HydrophobicContact CD2-CB 3.95Å; F285-L291 HydrophobicContact CD2-CD1 3.81Å; F285-L291 HydrophobicContact CD2-CG 4.47Å; F285-L291 HydrophobicContact CE2-CD1 4Å; F285-L291 HydrophobicContact CG-CB 4.28Å; F285-H294 HydrophobicContact CE1-CB 3.96Å; F285-H294 HydrophobicContact CE2-CB 3.92Å; F285-H294 AromaticContact CE2-CD2 3.44Å; F285-H294 VanDerWaalsContact CE2-CD2 3.44Å; F285-H294 WeakPolarHBondContact CE2-CD2 3.44Å; F285-H294 AromaticContact CE2-CG 3.69Å; F285-H294 HydrophobicContact CZ-CB 3.47Å; F285-H294 VanDerWaalsContact CZ-CB 3.47Å; F285-H294 AromaticContact CZ-CD2 3.44Å; F285-H294 VanDerWaalsContact CZ-CD2 3.44Å; F285-H294 WeakPolarHBondContact CZ-CD2 3.44Å; F285-H294 AromaticContact CZ-CG 3.23Å; F285-H294 AromaticContact CZ-ND1 3.75Å
286R90.4Very high88.8Confident87 Ų8769.2 Ų69.233%0.32834%0.343SS..SBendtrans-75.7-14.9175.3-62.8-176.1171.1133.4-5.8113.5R268 I269 K274R268-R286 PolarHBondContact NE-O 3.43Å; R268-R286 PolarHBondContact NH1-O 3.33Å; R268-R286 WeakPolarHBondContact O-CD 3.47Å; R268-R286 PolarHBondContact O-NE 3.06Å; I269-R286 PolarHBondContact O-NH2 3.06Å; K274-R286 HydrophobicContact CG-CG 3.94Å
287Q89.6Confident88.2Confident44 Ų4468.7 Ų68.721%0.20635%0.345CS..SBendtrans-141.2142.7-176.4-52.6-173.217.800111.3Q265 F285 S289 H290 L291Q265-Q287 HydrophobicContact CG-CG 4.39Å; F285-Q287 VanDerWaalsContact C-N 3.3Å; Q287-S289 PolarHBondContact OE1-OG 2.59Å; Q287-H290 HydrophobicContact CB-CB 4.41Å; Q287-H290 VanDerWaalsContact CD-CE1 3.44Å; Q287-H290 PolarHBondContact O-N 3.47Å; Q287-L291 PolarHBondContact O-N 2.87Å
288L88.7Confident87.7Confident81 Ų8168.9 Ų68.942%0.42434%0.342SS..Hα-helixtrans-65.3-38178.6-178.460.8000112.2Y276 H290 L291 Q292Y276-L288 HydrophobicContact CD1-CB 3.98Å; Y276-L288 HydrophobicContact CD1-CD1 3.95Å; Y276-L288 HydrophobicContact CD2-CB 4.44Å; Y276-L288 VanDerWaalsContact CD2-N 3.3Å; Y276-L288 HydrophobicContact CE1-CB 3.84Å; Y276-L288 HydrophobicContact CE1-CD1 4.36Å; Y276-L288 HydrophobicContact CE2-CB 4.29Å; Y276-L288 VanDerWaalsContact CE2-N 3.34Å; Y276-L288 HydrophobicContact CG-CB 4.28Å; L288-H290 VanDerWaalsContact C-N 3.31Å; L288-H290 PolarHBondContact O-N 3.36Å; L288-L291 HydrophobicContact CD1-CD2 4.39Å; L288-L291 PolarHBondContact O-N 3.43Å; L288-L291 VanDerWaalsContact O-N 3.16Å; L288-Q292 HydrophobicContact CD1-CG 4.46Å; L288-Q292 HydrophobicContact CG-CG 4.45Å; L288-Q292 WeakPolarHBondContact O-CG 3.48Å; L288-Q292 PolarHBondContact O-N 3.24Å
289S87.3Confident86.9Confident55 Ų5571 Ų7139%0.38535%0.354SS..Hα-helixtrans-53.7-46.4173.148.20000112Q287 Q292 Q293Q287-S289 PolarHBondContact OE1-OG 2.59Å; S289-Q292 PolarHBondContact O-N 3.41Å; S289-Q293 VanDerWaalsContact O-CB 3.29Å; S289-Q293 WeakPolarHBondContact O-CB 3.42Å; S289-Q293 PolarHBondContact O-N 2.87Å
290H88.9Confident85.8Confident78 Ų7875.9 Ų75.936%0.36137%0.367SS..Hα-helixtrans-67.8-36.3177.7-61.2165.2000112.3F285 Q287 L288 Q293 H294F285-H290 HydrophobicContact CB-CB 4.38Å; F285-H290 HydrophobicContact CD1-CB 4Å; F285-H290 HydrophobicContact CG-CB 4.45Å; Q287-H290 HydrophobicContact CB-CB 4.41Å; Q287-H290 VanDerWaalsContact CD-CE1 3.44Å; Q287-H290 PolarHBondContact O-N 3.47Å; L288-H290 VanDerWaalsContact C-N 3.31Å; L288-H290 PolarHBondContact O-N 3.36Å; H290-Q293 PolarHBondContact O-N 2.88Å; H290-H294 VanDerWaalsContact O-CB 3.24Å; H290-H294 WeakPolarHBondContact O-CB 3.29Å; H290-H294 PolarHBondContact O-N 2.84Å
291L89.7Confident85Confident28 Ų2872.1 Ų72.115%0.14736%0.363CS..Hα-helixtrans-64-46.5172.1172.560000111.4C278 F285 Q287 L288 Q293 H294 S295C278-L291 HydrophobicContact CB-CD1 3.52Å; F285-L291 HydrophobicContact CB-CB 4.31Å; F285-L291 HydrophobicContact CD2-CB 3.95Å; F285-L291 HydrophobicContact CD2-CD1 3.81Å; F285-L291 HydrophobicContact CD2-CG 4.47Å; F285-L291 HydrophobicContact CE2-CD1 4Å; F285-L291 HydrophobicContact CG-CB 4.28Å; Q287-L291 PolarHBondContact O-N 2.87Å; L288-L291 HydrophobicContact CD1-CD2 4.39Å; L288-L291 PolarHBondContact O-N 3.43Å; L288-L291 VanDerWaalsContact O-N 3.16Å; L291-Q293 VanDerWaalsContact C-N 3.29Å; L291-Q293 PolarHBondContact O-N 3Å; L291-H294 CarbonylContact O-C 3.47Å; L291-H294 WeakPolarHBondContact O-CB 3.44Å; L291-H294 PolarHBondContact O-N 3.28Å; L291-H294 VanDerWaalsContact O-N 3.13Å; L291-S295 PolarHBondContact O-N 2.83Å; L291-S295 PolarHBondContact O-OG 3.19Å
292Q86.6Confident84.5Confident108 Ų10874.7 Ų74.751%0.50537%0.368SS..Hα-helixtrans-64.3-33177.2-71.6177.3-13.600112.8L288 S289 S295L288-Q292 HydrophobicContact CD1-CG 4.46Å; L288-Q292 HydrophobicContact CG-CG 4.45Å; L288-Q292 WeakPolarHBondContact O-CG 3.48Å; L288-Q292 PolarHBondContact O-N 3.24Å; S289-Q292 PolarHBondContact O-N 3.41Å; Q292-S295 PolarHBondContact O-OG 3.41Å; Q292-S295 VanDerWaalsContact O-OG 3.13Å
293Q83.9Confident84.1Confident73 Ų7371.4 Ų71.434%0.34136%0.359SS..Hα-helixtrans-70.8-37.8172.8-169-173.8-4.600111.2S289 H290 L291 N315S289-Q293 VanDerWaalsContact O-CB 3.29Å; S289-Q293 WeakPolarHBondContact O-CB 3.42Å; S289-Q293 PolarHBondContact O-N 2.87Å; H290-Q293 PolarHBondContact O-N 2.88Å; L291-Q293 VanDerWaalsContact C-N 3.29Å; L291-Q293 PolarHBondContact O-N 3Å; Q293-N315 WeakPolarHBondContact CG-OD1 3.22Å; Q293-N315 PolarHBondContact NE2-ND2 2.84Å
294H86.7Confident83.9Confident32 Ų3268.4 Ų68.415%0.14835%0.347CS..Hα-helixtrans-71-41177.3172.669.4000112.8C281 F285 H290 L291 R296 N297 H298C281-H294 PolarHBondContact SG-NE2 3.34Å; F285-H294 HydrophobicContact CE1-CB 3.96Å; F285-H294 HydrophobicContact CE2-CB 3.92Å; F285-H294 AromaticContact CE2-CD2 3.44Å; F285-H294 VanDerWaalsContact CE2-CD2 3.44Å; F285-H294 WeakPolarHBondContact CE2-CD2 3.44Å; F285-H294 AromaticContact CE2-CG 3.69Å; F285-H294 HydrophobicContact CZ-CB 3.47Å; F285-H294 VanDerWaalsContact CZ-CB 3.47Å; F285-H294 AromaticContact CZ-CD2 3.44Å; F285-H294 VanDerWaalsContact CZ-CD2 3.44Å; F285-H294 WeakPolarHBondContact CZ-CD2 3.44Å; F285-H294 AromaticContact CZ-CG 3.23Å; F285-H294 AromaticContact CZ-ND1 3.75Å; H290-H294 VanDerWaalsContact O-CB 3.24Å; H290-H294 WeakPolarHBondContact O-CB 3.29Å; H290-H294 PolarHBondContact O-N 2.84Å; L291-H294 CarbonylContact O-C 3.47Å; L291-H294 WeakPolarHBondContact O-CB 3.44Å; L291-H294 PolarHBondContact O-N 3.28Å; L291-H294 VanDerWaalsContact O-N 3.13Å; H294-R296 PolarHBondContact O-N 3.07Å; H294-N297 WeakPolarHBondContact CA-ND2 3.48Å; H294-N297 WeakPolarHBondContact O-CB 3.29Å; H294-N297 PolarHBondContact O-N 2.87Å; H294-N297 PolarHBondContact O-ND2 2.99Å; H294-H298 AromaticContact CD2-NE2 3.86Å; H294-H298 AromaticContact CE1-NE2 3.54Å; H294-H298 AromaticContact NE2-CD2 3.79Å; H294-H298 AromaticContact NE2-NE2 3.03Å; H294-H298 PolarHBondContact NE2-NE2 3.48Å
295S84.4Confident83.6Confident35 Ų3574 Ų7425%0.24537%0.366CS..Hα-helixtrans-63.1-28.2-17862.40000113.2L291 Q292 N297 H298 T299L291-S295 PolarHBondContact O-N 2.83Å; L291-S295 PolarHBondContact O-OG 3.19Å; Q292-S295 PolarHBondContact O-OG 3.41Å; Q292-S295 VanDerWaalsContact O-OG 3.13Å; S295-N297 PolarHBondContact O-N 3.45Å; S295-N297 VanDerWaalsContact O-N 3.1Å; S295-H298 PolarHBondContact O-N 3.44Å; S295-T299 PolarHBondContact O-N 3.16Å
296R83.9Confident83.7Confident70 Ų7072.4 Ų72.426%0.26436%0.36SS..THydrogen-bonded Turntrans-60.8-12.8170.1-67.5-179.6-163.91717.6114.9H294 A314H294-R296 PolarHBondContact O-N 3.07Å; R296-A314 HydrophobicContact CB-CB 3.77Å; R296-A314 WeakPolarHBondContact CD-O 3.28Å; R296-A314 PolarHBondContact NH1-O 2.85Å; R296-A314 VanDerWaalsContact NH1-O 3.08Å
297N80.1Confident83.6Confident65 Ų6573 Ų7335%0.34838%0.375SS..THydrogen-bonded Turntrans-85.8-19.4172.6-53.3-65.4000112.5H294 S295H294-N297 WeakPolarHBondContact CA-ND2 3.48Å; H294-N297 WeakPolarHBondContact O-CB 3.29Å; H294-N297 PolarHBondContact O-N 2.87Å; H294-N297 PolarHBondContact O-ND2 2.99Å; S295-N297 PolarHBondContact O-N 3.45Å; S295-N297 VanDerWaalsContact O-N 3.1Å
298H80.6Confident83.6Confident67 Ų6776 Ų7631%0.3139%0.389SS..THydrogen-bonded Turntrans-89.6-33.9175.4-62.5-66.1000111.7Y280 C281 H294 S295Y280-H298 HydrophobicContact CD1-CB 4.29Å; Y280-H298 HydrophobicContact CD2-CB 3.82Å; Y280-H298 AromaticContact CD2-CD2 3.91Å; Y280-H298 HydrophobicContact CE2-CB 4.32Å; Y280-H298 HydrophobicContact CG-CB 3.8Å; Y280-H298 AromaticContact CG-CG 3.88Å; C281-H298 PolarHBondContact SG-NE2 3.15Å; H294-H298 AromaticContact CD2-NE2 3.86Å; H294-H298 AromaticContact CE1-NE2 3.54Å; H294-H298 AromaticContact NE2-CD2 3.79Å; H294-H298 AromaticContact NE2-NE2 3.03Å; H294-H298 PolarHBondContact NE2-NE2 3.48Å; S295-H298 PolarHBondContact O-N 3.44Å
299T74Confident83.7Confident47 Ų4773.9 Ų73.929%0.28838%0.38SS..SBendtrans-79.5146.7168.768.50000110.7S295 S301S295-T299 PolarHBondContact O-N 3.16Å; T299-S301 PolarHBondContact O-N 3.19Å; T299-S301 PolarHBondContact OG1-N 3.16Å; T299-S301 PolarHBondContact OG1-OG 3.15Å
300E67.1Low83.8Confident192 Ų19278.1 Ų78.190%0.89740%0.404SS*.SBendtrans-66.7-2.8168-60.2-169.5159.400113.9K302E300-K302 VanDerWaalsContact C-N 3.29Å; E300-K302 PolarHBondContact O-N 2.81Å
301S68.9Low83.7Confident69 Ų6980.5 Ų80.548%0.48341%0.413SS..  trans-67.783.6175.981.30000111.8T299 P303T299-S301 PolarHBondContact O-N 3.19Å; T299-S301 PolarHBondContact OG1-N 3.16Å; T299-S301 PolarHBondContact OG1-OG 3.15Å; S301-P303 VanDerWaalsContact C-CD 3.49Å; S301-P303 WeakPolarHBondContact O-CD 3.11Å
302K80.1Confident83.6Confident101 Ų10180.9 Ų80.944%0.43942%0.418SS..  trans-102.783.2172.7-63.1-172.9-165.3170.80109E300 H304 S312 F313E300-K302 VanDerWaalsContact C-N 3.29Å; E300-K302 PolarHBondContact O-N 2.81Å; K302-H304 PolarHBondContact O-N 2.88Å; K302-H304 VanDerWaalsContact O-N 3.12Å; K302-S312 WeakPolarHBondContact CD-O 3.42Å; K302-F313 CarbonylContact C-O 3.58Å
303P81.6Confident83.6Confident67 Ų6777.9 Ų77.944%0.43540%0.404SS..  trans-69.1-11.6-168.527.1-36.3000114.6S301S301-P303 VanDerWaalsContact C-CD 3.49Å; S301-P303 WeakPolarHBondContact O-CD 3.11Å
304H85.7Confident83.6Confident51 Ų5174.7 Ų74.724%0.23639%0.389CS..EExtended strand (participates in β ladder)trans-106.587.8-176.9-57.8-72.9000110.1K302 F313 S316 L319K302-H304 PolarHBondContact O-N 2.88Å; K302-H304 VanDerWaalsContact O-N 3.12Å; H304-F313 HydrophobicContact CB-CB 4.42Å; H304-F313 WeakPolarHBondContact CB-O 3.43Å; H304-F313 PolarHBondContact N-O 2.97Å; H304-F313 VanDerWaalsContact N-O 3.12Å; H304-F313 PolarHBondContact O-N 3.49Å; H304-S316 PolarHBondContact CD2-N 3.48Å; H304-S316 VanDerWaalsContact CD2-N 3.26Å; H304-S316 PolarHBondContact NE2-N 3.42Å; H304-L319 HydrophobicContact CB-CB 4.05Å; H304-L319 HydrophobicContact CB-CD2 3.81Å
305K87.4Confident83.5Confident160 Ų16073.6 Ų73.670%0.69639%0.385SS*.EExtended strand (participates in β ladder)trans-74.7145.2176.2-54.5-161.5174.7-176.50111.1S312 L319K305-S312 WeakPolarHBondContact CG-OG 3.21Å; K305-L319 VanDerWaalsContact O-CD2 3.31Å; K305-L319 WeakPolarHBondContact O-CD2 3.42Å
306C92.3Very high83.6Confident11 Ų1175.2 Ų75.27%0.07440%0.396CS..  trans-77.2136.6169.6-170.90000110.4H308 K311 F313 L319 H322 H326C306-H308 VanDerWaalsContact C-N 3.29Å; C306-H308 PolarHBondContact SG-N 3.37Å; C306-K311 VanDerWaalsContact CB-O 3.22Å; C306-K311 WeakPolarHBondContact CB-O 3.32Å; C306-K311 PolarHBondContact N-O 2.91Å; C306-F313 HydrophobicContact CB-CE2 4.45Å; C306-L319 HydrophobicContact CB-CD1 3.93Å; C306-H322 VanDerWaalsContact SG-CD2 3.53Å; C306-H326 PolarHBondContact SG-NE2 2.75Å
307P89.1Confident83.7Confident98 Ų9876 Ų7664%0.63641%0.412SS*.SBendtrans-74.6-18.317429.3-34.7000113.2
308H88.7Confident84.1Confident108 Ų10877.4 Ų77.450%0.541%0.413SS..SBendtrans-105.7-4.1-174.5-54-63.5000114.1C306 H326C306-H308 VanDerWaalsContact C-N 3.29Å; C306-H308 PolarHBondContact SG-N 3.37Å; H308-H326 HydrophobicContact CB-CB 4.07Å; H308-H326 AromaticContact CD2-CG 3.98Å; H308-H326 PolarHBondContact O-CE1 3.34Å; H308-H326 VanDerWaalsContact O-CE1 3.24Å
309C91.3Very high84.6Confident37 Ų3775.4 Ų75.425%0.2541%0.405CS..SBendtrans-162169.3172.668.30000111.8K311 H322 H326C309-K311 PolarHBondContact O-N 3.15Å; C309-H322 PolarHBondContact SG-NE2 3.22Å; C309-H322 VanDerWaalsContact SG-NE2 3.36Å; C309-H326 WeakPolarHBondContact CB-CE1 3.36Å; C309-H326 PolarHBondContact SG-CE1 3.15Å; C309-H326 PolarHBondContact SG-NE2 2.78Å
310T88.6Confident85.3Confident143 Ų14375.7 Ų75.788%0.87741%0.412SS*.SBendtrans-64.2-6.7-179.756.20000115
311K86.8Confident86.4Confident129 Ų12969.7 Ų69.756%0.56138%0.384SS*.  trans-72.6131.7-175.8-63.7-176.7178.4179.20111.5C306 C309 F313C306-K311 VanDerWaalsContact CB-O 3.22Å; C306-K311 WeakPolarHBondContact CB-O 3.32Å; C306-K311 PolarHBondContact N-O 2.91Å; C309-K311 PolarHBondContact O-N 3.15Å; K311-F313 HydrophobicContact CB-CE2 4.02Å; K311-F313 HydrophobicContact CB-CZ 4.05Å
312S88.4Confident87.5Confident36 Ų3667.3 Ų67.325%0.25237%0.365SS..EExtended strand (participates in β ladder)trans-120.6149.2177.5-56.80000110.8K302 K305K302-S312 WeakPolarHBondContact CD-O 3.42Å; K305-S312 WeakPolarHBondContact CG-OG 3.21Å
313F85.3Confident88Confident45 Ų4564.8 Ų64.820%0.19736%0.356CS..EExtended strand (participates in β ladder)trans-126.3147.3-173-58.8-89.4000111.9K302 H304 C306 K311 N315 L319 H322K302-F313 CarbonylContact C-O 3.58Å; H304-F313 HydrophobicContact CB-CB 4.42Å; H304-F313 WeakPolarHBondContact CB-O 3.43Å; H304-F313 PolarHBondContact N-O 2.97Å; H304-F313 VanDerWaalsContact N-O 3.12Å; H304-F313 PolarHBondContact O-N 3.49Å; C306-F313 HydrophobicContact CB-CE2 4.45Å; K311-F313 HydrophobicContact CB-CE2 4.02Å; K311-F313 HydrophobicContact CB-CZ 4.05Å; F313-N315 PolarHBondContact O-N 3.28Å; F313-L319 HydrophobicContact CB-CB 4.32Å; F313-L319 HydrophobicContact CD2-CB 4.02Å; F313-L319 HydrophobicContact CD2-CD1 3.92Å; F313-L319 HydrophobicContact CE2-CD1 4.18Å; F313-L319 HydrophobicContact CG-CB 4.35Å; F313-H322 HydrophobicContact CE1-CB 4.03Å; F313-H322 HydrophobicContact CE2-CB 3.87Å; F313-H322 AromaticContact CE2-CD2 3.32Å; F313-H322 WeakPolarHBondContact CE2-CD2 3.47Å; F313-H322 AromaticContact CE2-CG 3.58Å; F313-H322 HydrophobicContact CZ-CB 3.52Å; F313-H322 AromaticContact CZ-CD2 3.43Å; F313-H322 VanDerWaalsContact CZ-CD2 3.43Å; F313-H322 WeakPolarHBondContact CZ-CD2 3.36Å; F313-H322 AromaticContact CZ-CG 3.22Å; F313-H322 AromaticContact CZ-ND1 3.68Å; F313-H322 AromaticContact CZ-NE2 3.98Å
314A84.6Confident88.6Confident5 Ų565 Ų654%0.04135%0.348CS..SBendtrans-67.7-24.6175.600000113.4R296R296-A314 HydrophobicContact CB-CB 3.77Å; R296-A314 WeakPolarHBondContact CD-O 3.28Å; R296-A314 PolarHBondContact NH1-O 2.85Å; R296-A314 VanDerWaalsContact NH1-O 3.08Å
315N83.7Confident88.8Confident10 Ų1066.7 Ų66.75%0.05336%0.358CS..SBendtrans-135.4138.9-168.7-53.8-33.4000111.7Q293 F313 S317 Y318 L319Q293-N315 WeakPolarHBondContact CG-OD1 3.22Å; Q293-N315 PolarHBondContact NE2-ND2 2.84Å; F313-N315 PolarHBondContact O-N 3.28Å; N315-S317 VanDerWaalsContact C-N 3.35Å; N315-S317 PolarHBondContact O-N 3.41Å; N315-Y318 HydrophobicContact CB-CD2 3.86Å; N315-Y318 HydrophobicContact CB-CE2 4.48Å; N315-Y318 HydrophobicContact CB-CG 4.33Å; N315-Y318 VanDerWaalsContact ND2-CD2 3.31Å; N315-Y318 WeakPolarHBondContact ND2-CD2 3.38Å; N315-Y318 WeakPolarHBondContact ND2-CE2 3.35Å; N315-Y318 PolarHBondContact O-N 3.41Å; N315-L319 PolarHBondContact O-N 3.45Å
316S87Confident89Confident68 Ų6863.3 Ų63.348%0.47634%0.344SS..Hα-helixtrans-59.7-40176.250.30000113H304 Y318 L319 A320H304-S316 PolarHBondContact CD2-N 3.48Å; H304-S316 VanDerWaalsContact CD2-N 3.26Å; H304-S316 PolarHBondContact NE2-N 3.42Å; S316-Y318 VanDerWaalsContact C-N 3.3Å; S316-Y318 PolarHBondContact O-N 3.42Å; S316-L319 WeakPolarHBondContact O-CB 3.4Å; S316-L319 PolarHBondContact O-N 3.42Å; S316-L319 VanDerWaalsContact O-N 3.15Å; S316-A320 PolarHBondContact O-N 2.9Å
317S87.2Confident88.9Confident86 Ų8666.3 Ų66.360%0.60136%0.363SS*.Hα-helixtrans-61.9-35.8178.9-41.50000112.9N315 Q321N315-S317 VanDerWaalsContact C-N 3.35Å; N315-S317 PolarHBondContact O-N 3.41Å; S317-Q321 WeakPolarHBondContact O-CB 3.16Å; S317-Q321 PolarHBondContact O-N 2.87Å
318Y88Confident88.9Confident95 Ų9563.6 Ų63.637%0.37335%0.352SS..Hα-helixtrans-73.8-36.2175-66.7-32.6000111.9S9 N315 S316 Q321 H322S9-Y318 PolarHBondContact OG-OH 3.16Å; N315-Y318 HydrophobicContact CB-CD2 3.86Å; N315-Y318 HydrophobicContact CB-CE2 4.48Å; N315-Y318 HydrophobicContact CB-CG 4.33Å; N315-Y318 VanDerWaalsContact ND2-CD2 3.31Å; N315-Y318 WeakPolarHBondContact ND2-CD2 3.38Å; N315-Y318 WeakPolarHBondContact ND2-CE2 3.35Å; N315-Y318 PolarHBondContact O-N 3.41Å; S316-Y318 VanDerWaalsContact C-N 3.3Å; S316-Y318 PolarHBondContact O-N 3.42Å; Y318-Q321 PolarHBondContact O-N 3.22Å; Y318-H322 VanDerWaalsContact O-CB 3.26Å; Y318-H322 WeakPolarHBondContact O-CB 3.5Å; Y318-H322 PolarHBondContact O-N 3.3Å
319L90.3Very high89.1Confident25 Ų2562 Ų6213%0.13135%0.35CS..Hα-helixtrans-61.3-47.6170171.661000111.1H304 K305 C306 F313 N315 S316 Q321 H322 I323H304-L319 HydrophobicContact CB-CB 4.05Å; H304-L319 HydrophobicContact CB-CD2 3.81Å; K305-L319 VanDerWaalsContact O-CD2 3.31Å; K305-L319 WeakPolarHBondContact O-CD2 3.42Å; C306-L319 HydrophobicContact CB-CD1 3.93Å; F313-L319 HydrophobicContact CB-CB 4.32Å; F313-L319 HydrophobicContact CD2-CB 4.02Å; F313-L319 HydrophobicContact CD2-CD1 3.92Å; F313-L319 HydrophobicContact CE2-CD1 4.18Å; F313-L319 HydrophobicContact CG-CB 4.35Å; N315-L319 PolarHBondContact O-N 3.45Å; S316-L319 WeakPolarHBondContact O-CB 3.4Å; S316-L319 PolarHBondContact O-N 3.42Å; S316-L319 VanDerWaalsContact O-N 3.15Å; L319-Q321 VanDerWaalsContact C-N 3.31Å; L319-Q321 PolarHBondContact O-N 3.03Å; L319-H322 CarbonylContact O-C 3.34Å; L319-H322 WeakPolarHBondContact O-CA 3.49Å; L319-H322 WeakPolarHBondContact O-CB 3.39Å; L319-H322 PolarHBondContact O-N 2.89Å; L319-I323 HydrophobicContact CD1-CD1 3.86Å; L319-I323 HydrophobicContact CD1-CG1 3.92Å; L319-I323 HydrophobicContact CD2-CD1 4.5Å; L319-I323 HydrophobicContact CG-CD1 3.85Å; L319-I323 HydrophobicContact CG-CG1 4.37Å; L319-I323 WeakPolarHBondContact O-CG1 3.44Å; L319-I323 PolarHBondContact O-N 2.92Å
320A89.3Confident89.1Confident53 Ų5365.7 Ų65.744%0.43836%0.362SS..Hα-helixtrans-61.3-38.8178.400000112.4S316S316-A320 PolarHBondContact O-N 2.9Å
321Q90Very high89.3Confident66 Ų6662 Ų6231%0.30834%0.34SS..Hα-helixtrans-66.9-36.7172.6-172.6-176.258.200112.2S317 Y318 L319 R324 Q343S317-Q321 WeakPolarHBondContact O-CB 3.16Å; S317-Q321 PolarHBondContact O-N 2.87Å; Y318-Q321 PolarHBondContact O-N 3.22Å; L319-Q321 VanDerWaalsContact C-N 3.31Å; L319-Q321 PolarHBondContact O-N 3.03Å; Q321-R324 WeakPolarHBondContact O-CB 3.28Å; Q321-Q343 VanDerWaalsContact CD-NE2 3.35Å; Q321-Q343 HydrophobicContact CG-CG 4.2Å
322H91.8Very high89.6Confident20 Ų2059.3 Ų59.39%0.09333%0.327CS..Hα-helixtrans-70.6-37.1176.8172.866.5000113C306 C309 F313 Y318 L319 R324 I325 H326C306-H322 VanDerWaalsContact SG-CD2 3.53Å; C309-H322 PolarHBondContact SG-NE2 3.22Å; C309-H322 VanDerWaalsContact SG-NE2 3.36Å; F313-H322 HydrophobicContact CE1-CB 4.03Å; F313-H322 HydrophobicContact CE2-CB 3.87Å; F313-H322 AromaticContact CE2-CD2 3.32Å; F313-H322 WeakPolarHBondContact CE2-CD2 3.47Å; F313-H322 AromaticContact CE2-CG 3.58Å; F313-H322 HydrophobicContact CZ-CB 3.52Å; F313-H322 AromaticContact CZ-CD2 3.43Å; F313-H322 VanDerWaalsContact CZ-CD2 3.43Å; F313-H322 WeakPolarHBondContact CZ-CD2 3.36Å; F313-H322 AromaticContact CZ-CG 3.22Å; F313-H322 AromaticContact CZ-ND1 3.68Å; F313-H322 AromaticContact CZ-NE2 3.98Å; Y318-H322 VanDerWaalsContact O-CB 3.26Å; Y318-H322 WeakPolarHBondContact O-CB 3.5Å; Y318-H322 PolarHBondContact O-N 3.3Å; L319-H322 CarbonylContact O-C 3.34Å; L319-H322 WeakPolarHBondContact O-CA 3.49Å; L319-H322 WeakPolarHBondContact O-CB 3.39Å; L319-H322 PolarHBondContact O-N 2.89Å; H322-R324 PolarHBondContact O-N 3.44Å; H322-I325 WeakPolarHBondContact O-CB 3.33Å; H322-I325 VanDerWaalsContact O-CG1 3.29Å; H322-I325 WeakPolarHBondContact O-CG1 3.24Å; H322-I325 PolarHBondContact O-N 3Å; H322-H326 AromaticContact CD2-NE2 3.39Å; H322-H326 PolarHBondContact CD2-NE2 3.18Å; H322-H326 AromaticContact CE1-NE2 3.1Å; H322-H326 PolarHBondContact CE1-NE2 3.3Å; H322-H326 AromaticContact NE2-CD2 3.77Å; H322-H326 AromaticContact NE2-NE2 2.4Å; H322-H326 PolarHBondContact NE2-NE2 2.77Å
323I91.4Very high89.9Confident47 Ų4761.4 Ų61.424%0.24134%0.342CS..Hα-helixtrans-58.2-31.3177.5-72.7165.6000111.4L319 I325 H326 T327L319-I323 HydrophobicContact CD1-CD1 3.86Å; L319-I323 HydrophobicContact CD1-CG1 3.92Å; L319-I323 HydrophobicContact CD2-CD1 4.5Å; L319-I323 HydrophobicContact CG-CD1 3.85Å; L319-I323 HydrophobicContact CG-CG1 4.37Å; L319-I323 WeakPolarHBondContact O-CG1 3.44Å; L319-I323 PolarHBondContact O-N 2.92Å; I323-I325 PolarHBondContact O-N 3.38Å; I323-H326 PolarHBondContact O-N 2.84Å; I323-T327 HydrophobicContact CG2-CG2 3.87Å; I323-T327 PolarHBondContact O-N 3.21Å; I323-T327 PolarHBondContact O-OG1 2.81Å
324R92.9Very high90.3Very high72 Ų7259.8 Ų59.827%0.27234%0.336SS..Hα-helixtrans-59.6-15.8172.5-57.4177.1-171.9-172.7-4114.5Q321 H322 G328 R342Q321-R324 WeakPolarHBondContact O-CB 3.28Å; H322-R324 PolarHBondContact O-N 3.44Å; R324-G328 PolarHBondContact O-N 3.31Å; R324-R342 HydrophobicContact CB-CB 4.42Å; R324-R342 PolarHBondContact NH1-O 3.44Å; R324-R342 WeakPolarHBondContact O-CD 3.41Å
325I91.6Very high90.7Very high86 Ų8664.7 Ų64.744%0.44137%0.37SS..Hα-helixtrans-73.3-42.6172.1-57-174.9000109.9H322 I323H322-I325 WeakPolarHBondContact O-CB 3.33Å; H322-I325 VanDerWaalsContact O-CG1 3.29Å; H322-I325 WeakPolarHBondContact O-CG1 3.24Å; H322-I325 PolarHBondContact O-N 3Å; I323-I325 PolarHBondContact O-N 3.38Å
326H90.8Very high91Very high89 Ų8971 Ų7141%0.41239%0.394SS..Hα-helixtrans-77.8-42.7-179.2-62.7-74.6000112.2C306 H308 C309 H322 I323 G328C306-H326 PolarHBondContact SG-NE2 2.75Å; H308-H326 HydrophobicContact CB-CB 4.07Å; H308-H326 AromaticContact CD2-CG 3.98Å; H308-H326 PolarHBondContact O-CE1 3.34Å; H308-H326 VanDerWaalsContact O-CE1 3.24Å; C309-H326 WeakPolarHBondContact CB-CE1 3.36Å; C309-H326 PolarHBondContact SG-CE1 3.15Å; C309-H326 PolarHBondContact SG-NE2 2.78Å; H322-H326 AromaticContact CD2-NE2 3.39Å; H322-H326 PolarHBondContact CD2-NE2 3.18Å; H322-H326 AromaticContact CE1-NE2 3.1Å; H322-H326 PolarHBondContact CE1-NE2 3.3Å; H322-H326 AromaticContact NE2-CD2 3.77Å; H322-H326 AromaticContact NE2-NE2 2.4Å; H322-H326 PolarHBondContact NE2-NE2 2.77Å; I323-H326 PolarHBondContact O-N 2.84Å; H326-G328 PolarHBondContact O-N 3.45Å
327T90.4Very high91.3Very high75 Ų7569.4 Ų69.446%0.4638%0.383SS..SBendtrans-79.1-4.7178.963.60000113.8I323 V329I323-T327 HydrophobicContact CG2-CG2 3.87Å; I323-T327 PolarHBondContact O-N 3.21Å; I323-T327 PolarHBondContact O-OG1 2.81Å; T327-V329 PolarHBondContact O-N 3.32Å; T327-V329 WeakPolarHBondContact OG1-CG2 3.44Å
328G89.7Confident91.5Very high40 Ų4073 Ų7341%0.41240%0.395SS..  trans67.6-7.8-176.800000115.9R324 H326 K330R324-G328 PolarHBondContact O-N 3.31Å; H326-G328 PolarHBondContact O-N 3.45Å; G328-K330 WeakPolarHBondContact O-CG 3.39Å; G328-K330 PolarHBondContact O-N 3.31Å
329V91.8Very high91.7Very high76 Ų7674.2 Ų74.246%0.46140%0.402SS..  trans-59120.1-171.3176.90000112T327 P331T327-V329 PolarHBondContact O-N 3.32Å; T327-V329 WeakPolarHBondContact OG1-CG2 3.44Å; V329-P331 WeakPolarHBondContact O-CD 3.48Å
330K92.6Very high91.8Very high113 Ų11375.3 Ų75.349%0.49141%0.412SS..  trans-118.181.2-179.6-71.8156.6171.1-177.10109.8G328 Y332 C340 F341 R342G328-K330 WeakPolarHBondContact O-CG 3.39Å; G328-K330 PolarHBondContact O-N 3.31Å; K330-Y332 PolarHBondContact O-N 3.17Å; K330-Y332 VanDerWaalsContact O-N 3.16Å; K330-C340 HydrophobicContact CB-CB 3.68Å; K330-C340 HydrophobicContact CD-CB 4.12Å; K330-C340 WeakPolarHBondContact CD-O 3.48Å; K330-C340 HydrophobicContact CG-CB 4.44Å; K330-F341 CarbonylContact C-O 3.35Å; K330-F341 VanDerWaalsContact C-O 3.25Å; K330-F341 VanDerWaalsContact CA-O 3.29Å; K330-F341 WeakPolarHBondContact CA-O 3.26Å; K330-R342 HydrophobicContact CG-CG 3.93Å
331P91.5Very high92Very high67 Ų6774.8 Ų74.844%0.43540%0.399SS..  trans-79.25-169.133.2-34.2000114.3V329 F341V329-P331 WeakPolarHBondContact O-CD 3.48Å; P331-F341 WeakPolarHBondContact CD-O 3.48Å
332Y94.5Very high92.1Very high71 Ų7176.3 Ų76.328%0.27840%0.402SS..EExtended strand (participates in β ladder)trans-122.998.4-179.2-51.1-72.8000110K330 C340 F341 L344K330-Y332 PolarHBondContact O-N 3.17Å; K330-Y332 VanDerWaalsContact O-N 3.16Å; Y332-C340 CarbonylContact O-C 3.25Å; Y332-C340 WeakPolarHBondContact O-CA 3.21Å; Y332-F341 PolarHBondContact N-O 3.34Å; Y332-F341 PolarHBondContact O-N 3.32Å; Y332-L344 HydrophobicContact CD1-CB 4.12Å; Y332-L344 HydrophobicContact CD1-CD1 4.04Å; Y332-L344 HydrophobicContact CD2-CB 4.45Å; Y332-L344 VanDerWaalsContact CD2-N 3.34Å; Y332-L344 HydrophobicContact CE1-CB 3.95Å; Y332-L344 HydrophobicContact CE1-CD1 4.41Å; Y332-L344 HydrophobicContact CE2-CB 4.27Å; Y332-L344 VanDerWaalsContact CE2-N 3.32Å; Y332-L344 HydrophobicContact CG-CB 4.38Å
333S93.7Very high92.1Very high80 Ų8077.3 Ų77.356%0.55941%0.407SS*.EExtended strand (participates in β ladder)trans-79.3152.3173.446.30000111.7L347S333-L347 WeakPolarHBondContact O-CD2 3.38Å
334C94.4Very high92.1Very high12 Ų1279 Ų798%0.08142%0.416CS..  trans-84.8143.3167.4-166.90000110.4Y336 C337 K339 F341 L347C334-Y336 VanDerWaalsContact C-N 3.32Å; C334-C337 WeakPolarHBondContact CB-O 3.27Å; C334-C337 VanDerWaalsContact O-O 3.08Å; C334-K339 WeakPolarHBondContact CB-O 3.37Å; C334-K339 PolarHBondContact N-O 3.16Å; C334-K339 VanDerWaalsContact N-O 3.1Å; C334-F341 HydrophobicContact CB-CE2 4.49Å; C334-L347 HydrophobicContact CB-CD1 3.73Å
335S92.6Very high92Very high108 Ų10877 Ų7776%0.75541%0.414SS*.SBendtrans-80.1-13.417654.60000113.6
336Y89.9Confident92Very high143 Ų14376.4 Ų76.456%0.56141%0.409SS*.SBendtrans-107.3-10.6-175.3-58-79.8000113.1C334 H354C334-Y336 VanDerWaalsContact C-N 3.32Å; Y336-H354 HydrophobicContact CD1-CB 4.34Å; Y336-H354 HydrophobicContact CD2-CB 3.85Å; Y336-H354 AromaticContact CD2-CD2 3.9Å; Y336-H354 HydrophobicContact CE2-CB 4.38Å; Y336-H354 HydrophobicContact CG-CB 3.83Å; Y336-H354 AromaticContact CG-CG 3.86Å
337C92.4Very high92.2Very high34 Ų3473.5 Ų73.523%0.2340%0.396CS..SBendtrans-166.8164.5175.266.40000111.4C334 K339 H350 H354C334-C337 WeakPolarHBondContact CB-O 3.27Å; C334-C337 VanDerWaalsContact O-O 3.08Å; C337-K339 PolarHBondContact O-N 3.49Å; C337-H350 PolarHBondContact SG-NE2 2.87Å; C337-H350 VanDerWaalsContact SG-NE2 3.36Å; C337-H354 PolarHBondContact SG-NE2 3.36Å; C337-H354 VanDerWaalsContact SG-NE2 3.41Å
338D91.7Very high92.3Very high161 Ų16174.4 Ų74.486%0.86140%0.395SS*.SBendtrans-719.8-174-48.7-65.3000115.4C340D338-C340 PolarHBondContact O-N 3.35Å
339K91.6Very high92.3Very high120 Ų12075.6 Ų75.652%0.52239%0.39SS..  trans-76115.7-178.8-63.6-171.4-165.5-63.80110.6C334 C337 F341C334-K339 WeakPolarHBondContact CB-O 3.37Å; C334-K339 PolarHBondContact N-O 3.16Å; C334-K339 VanDerWaalsContact N-O 3.1Å; C337-K339 PolarHBondContact O-N 3.49Å; K339-F341 HydrophobicContact CB-CE2 3.96Å; K339-F341 HydrophobicContact CB-CZ 4.04Å; K339-F341 WeakPolarHBondContact O-CD2 3.31Å; K339-F341 WeakPolarHBondContact O-CE2 3.23Å
340C93.4Very high92.4Very high49 Ų4973 Ų7333%0.33137%0.373SS..EExtended strand (participates in β ladder)trans-104.4141.8177.2-60.40000112.7K330 Y332 D338K330-C340 HydrophobicContact CB-CB 3.68Å; K330-C340 HydrophobicContact CD-CB 4.12Å; K330-C340 WeakPolarHBondContact CD-O 3.48Å; K330-C340 HydrophobicContact CG-CB 4.44Å; Y332-C340 CarbonylContact O-C 3.25Å; Y332-C340 WeakPolarHBondContact O-CA 3.21Å; D338-C340 PolarHBondContact O-N 3.35Å
341F92.8Very high92.3Very high42 Ų4269.3 Ų69.318%0.18436%0.361CS..EExtended strand (participates in β ladder)trans-121149.5-171.7-60.9-88.9000112.6K330 P331 Y332 C334 K339 Q343 H346 L347 H350K330-F341 CarbonylContact C-O 3.35Å; K330-F341 VanDerWaalsContact C-O 3.25Å; K330-F341 VanDerWaalsContact CA-O 3.29Å; K330-F341 WeakPolarHBondContact CA-O 3.26Å; P331-F341 WeakPolarHBondContact CD-O 3.48Å; Y332-F341 PolarHBondContact N-O 3.34Å; Y332-F341 PolarHBondContact O-N 3.32Å; C334-F341 HydrophobicContact CB-CE2 4.49Å; K339-F341 HydrophobicContact CB-CE2 3.96Å; K339-F341 HydrophobicContact CB-CZ 4.04Å; K339-F341 WeakPolarHBondContact O-CD2 3.31Å; K339-F341 WeakPolarHBondContact O-CE2 3.23Å; F341-Q343 VanDerWaalsContact C-N 3.35Å; F341-H346 HydrophobicContact CB-CB 4.36Å; F341-H346 HydrophobicContact CD1-CB 3.89Å; F341-H346 HydrophobicContact CG-CB 4.4Å; F341-L347 HydrophobicContact CB-CB 4.32Å; F341-L347 HydrophobicContact CD2-CB 3.96Å; F341-L347 HydrophobicContact CD2-CD1 3.92Å; F341-L347 HydrophobicContact CE2-CD1 4.11Å; F341-L347 HydrophobicContact CG-CB 4.27Å; F341-H350 HydrophobicContact CE1-CB 4.01Å; F341-H350 HydrophobicContact CE2-CB 3.93Å; F341-H350 AromaticContact CE2-CD2 3.45Å; F341-H350 VanDerWaalsContact CE2-CD2 3.45Å; F341-H350 WeakPolarHBondContact CE2-CD2 3.49Å; F341-H350 AromaticContact CE2-CG 3.74Å; F341-H350 HydrophobicContact CZ-CB 3.47Å; F341-H350 VanDerWaalsContact CZ-CB 3.47Å; F341-H350 AromaticContact CZ-CD2 3.45Å; F341-H350 VanDerWaalsContact CZ-CD2 3.45Å; F341-H350 WeakPolarHBondContact CZ-CD2 3.36Å; F341-H350 AromaticContact CZ-CG 3.29Å; F341-H350 AromaticContact CZ-ND1 3.91Å
342R91.9Very high92.4Very high98 Ų9869.2 Ų69.237%0.3735%0.352SS..SBendtrans-79-17.3177.7-56.1178.9-167.3145.83.9113.5R324 K330R324-R342 HydrophobicContact CB-CB 4.42Å; R324-R342 PolarHBondContact NH1-O 3.44Å; R324-R342 WeakPolarHBondContact O-CD 3.41Å; K330-R342 HydrophobicContact CG-CG 3.93Å
343Q92.1Very high92.2Very high41 Ų4171 Ų7119%0.19237%0.365CS..SBendtrans-138.3140.9-174.9-52.5-171.414.300110.9Q321 F341 S345 H346 L347Q321-Q343 VanDerWaalsContact CD-NE2 3.35Å; Q321-Q343 HydrophobicContact CG-CG 4.2Å; F341-Q343 VanDerWaalsContact C-N 3.35Å; Q343-S345 PolarHBondContact O-N 3.28Å; Q343-S345 PolarHBondContact OE1-OG 3.26Å; Q343-H346 HydrophobicContact CB-CB 4.5Å; Q343-H346 PolarHBondContact O-N 3.05Å; Q343-L347 PolarHBondContact O-N 3.21Å
344L91.8Very high92Very high81 Ų8170.5 Ų70.542%0.42435%0.354SS..Hα-helixtrans-65.1-36.8179.7-178.761.3000112.5Y332 H346 L347 Q348Y332-L344 HydrophobicContact CD1-CB 4.12Å; Y332-L344 HydrophobicContact CD1-CD1 4.04Å; Y332-L344 HydrophobicContact CD2-CB 4.45Å; Y332-L344 VanDerWaalsContact CD2-N 3.34Å; Y332-L344 HydrophobicContact CE1-CB 3.95Å; Y332-L344 HydrophobicContact CE1-CD1 4.41Å; Y332-L344 HydrophobicContact CE2-CB 4.27Å; Y332-L344 VanDerWaalsContact CE2-N 3.32Å; Y332-L344 HydrophobicContact CG-CB 4.38Å; L344-H346 VanDerWaalsContact C-N 3.29Å; L344-H346 PolarHBondContact O-N 3.35Å; L344-L347 HydrophobicContact CD1-CD2 4.25Å; L344-L347 WeakPolarHBondContact O-CB 3.49Å; L344-L347 PolarHBondContact O-N 3.48Å; L344-L347 VanDerWaalsContact O-N 3.15Å; L344-Q348 HydrophobicContact CD1-CG 4.47Å; L344-Q348 HydrophobicContact CG-CG 4.43Å; L344-Q348 WeakPolarHBondContact O-CG 3.34Å; L344-Q348 PolarHBondContact O-N 3.45Å
345S90.5Very high91.7Very high32 Ų3273.8 Ų73.822%0.22437%0.374CS..Hα-helixtrans-56.4-41.8174.646.50000112.3Q343 Q348 Q349Q343-S345 PolarHBondContact O-N 3.28Å; Q343-S345 PolarHBondContact OE1-OG 3.26Å; S345-Q348 PolarHBondContact O-N 3.32Å; S345-Q349 VanDerWaalsContact O-CB 3.28Å; S345-Q349 WeakPolarHBondContact O-CB 3.44Å; S345-Q349 PolarHBondContact O-N 3.01Å
346H92.6Very high91.5Very high73 Ų7370.9 Ų70.934%0.33836%0.36SS..Hα-helixtrans-69.6-36.1177.4-61.7171.3000112F341 Q343 L344 Q349 H350F341-H346 HydrophobicContact CB-CB 4.36Å; F341-H346 HydrophobicContact CD1-CB 3.89Å; F341-H346 HydrophobicContact CG-CB 4.4Å; Q343-H346 HydrophobicContact CB-CB 4.5Å; Q343-H346 PolarHBondContact O-N 3.05Å; L344-H346 VanDerWaalsContact C-N 3.29Å; L344-H346 PolarHBondContact O-N 3.35Å; H346-Q349 PolarHBondContact O-N 2.92Å; H346-H350 VanDerWaalsContact O-CB 3.29Å; H346-H350 WeakPolarHBondContact O-CB 3.45Å; H346-H350 PolarHBondContact O-N 3.22Å
347L94.3Very high91.5Very high28 Ų2867.4 Ų67.415%0.14735%0.351CS..Hα-helixtrans-64-47.4171.717160.9000111.2S333 C334 F341 Q343 L344 Q349 H350 S351S333-L347 WeakPolarHBondContact O-CD2 3.38Å; C334-L347 HydrophobicContact CB-CD1 3.73Å; F341-L347 HydrophobicContact CB-CB 4.32Å; F341-L347 HydrophobicContact CD2-CB 3.96Å; F341-L347 HydrophobicContact CD2-CD1 3.92Å; F341-L347 HydrophobicContact CE2-CD1 4.11Å; F341-L347 HydrophobicContact CG-CB 4.27Å; Q343-L347 PolarHBondContact O-N 3.21Å; L344-L347 HydrophobicContact CD1-CD2 4.25Å; L344-L347 WeakPolarHBondContact O-CB 3.49Å; L344-L347 PolarHBondContact O-N 3.48Å; L344-L347 VanDerWaalsContact O-N 3.15Å; L347-Q349 VanDerWaalsContact C-N 3.29Å; L347-Q349 PolarHBondContact O-N 3.29Å; L347-H350 CarbonylContact O-C 3.4Å; L347-H350 WeakPolarHBondContact O-CB 3.27Å; L347-H350 PolarHBondContact O-N 2.85Å; L347-H350 VanDerWaalsContact O-N 3.08Å; L347-S351 PolarHBondContact O-N 2.8Å; L347-S351 PolarHBondContact O-OG 3.43Å
348Q91.8Very high91.4Very high93 Ų9372.3 Ų72.344%0.43537%0.365SS..Hα-helixtrans-62.4-35.5177.4-71.7176.7-3300112.6L344 S345 S351L344-Q348 HydrophobicContact CD1-CG 4.47Å; L344-Q348 HydrophobicContact CG-CG 4.43Å; L344-Q348 WeakPolarHBondContact O-CG 3.34Å; L344-Q348 PolarHBondContact O-N 3.45Å; S345-Q348 PolarHBondContact O-N 3.32Å; Q348-S351 PolarHBondContact O-OG 3.43Å
349Q91.1Very high91.3Very high65 Ų6567.6 Ų67.630%0.30434%0.344SS..Hα-helixtrans-69.6-35.7172.9177.1-176.8-18.700112S345 H346 L347 Q373S345-Q349 VanDerWaalsContact O-CB 3.28Å; S345-Q349 WeakPolarHBondContact O-CB 3.44Å; S345-Q349 PolarHBondContact O-N 3.01Å; H346-Q349 PolarHBondContact O-N 2.92Å; L347-Q349 VanDerWaalsContact C-N 3.29Å; L347-Q349 PolarHBondContact O-N 3.29Å; Q349-Q373 HydrophobicContact CG-CG 4.16Å
350H92.9Very high91.3Very high23 Ų2364.8 Ų64.811%0.10633%0.33CS..Hα-helixtrans-72.7-40.3176.3174.663.2000112.4C337 F341 H346 L347 R352 I353 H354C337-H350 PolarHBondContact SG-NE2 2.87Å; C337-H350 VanDerWaalsContact SG-NE2 3.36Å; F341-H350 HydrophobicContact CE1-CB 4.01Å; F341-H350 HydrophobicContact CE2-CB 3.93Å; F341-H350 AromaticContact CE2-CD2 3.45Å; F341-H350 VanDerWaalsContact CE2-CD2 3.45Å; F341-H350 WeakPolarHBondContact CE2-CD2 3.49Å; F341-H350 AromaticContact CE2-CG 3.74Å; F341-H350 HydrophobicContact CZ-CB 3.47Å; F341-H350 VanDerWaalsContact CZ-CB 3.47Å; F341-H350 AromaticContact CZ-CD2 3.45Å; F341-H350 VanDerWaalsContact CZ-CD2 3.45Å; F341-H350 WeakPolarHBondContact CZ-CD2 3.36Å; F341-H350 AromaticContact CZ-CG 3.29Å; F341-H350 AromaticContact CZ-ND1 3.91Å; H346-H350 VanDerWaalsContact O-CB 3.29Å; H346-H350 WeakPolarHBondContact O-CB 3.45Å; H346-H350 PolarHBondContact O-N 3.22Å; L347-H350 CarbonylContact O-C 3.4Å; L347-H350 WeakPolarHBondContact O-CB 3.27Å; L347-H350 PolarHBondContact O-N 2.85Å; L347-H350 VanDerWaalsContact O-N 3.08Å; H350-R352 PolarHBondContact O-N 3.32Å; H350-R352 VanDerWaalsContact O-N 3.15Å; H350-I353 VanDerWaalsContact O-CB 3.25Å; H350-I353 WeakPolarHBondContact O-CB 3.17Å; H350-I353 WeakPolarHBondContact O-CG1 3.46Å; H350-I353 PolarHBondContact O-N 3.23Å; H350-H354 AromaticContact CD2-NE2 3.95Å; H350-H354 AromaticContact CE1-NE2 3.65Å; H350-H354 AromaticContact NE2-CD2 3.82Å; H350-H354 AromaticContact NE2-NE2 3.13Å; H350-H354 PolarHBondContact NE2-NE2 3.4Å; H350-H354 VanDerWaalsContact NE2-NE2 3.13Å
351S91.2Very high91.1Very high35 Ų3569.4 Ų69.425%0.24534%0.344CS..Hα-helixtrans-61.1-26.2-179.360.90000113.1L347 Q348 I353 H354 T355L347-S351 PolarHBondContact O-N 2.8Å; L347-S351 PolarHBondContact O-OG 3.43Å; Q348-S351 PolarHBondContact O-OG 3.43Å; S351-I353 PolarHBondContact O-N 3.33Å; S351-H354 PolarHBondContact O-N 3.44Å; S351-T355 PolarHBondContact O-N 3.18Å; S351-T355 PolarHBondContact O-OG1 2.94Å
352R92.7Very high91Very high65 Ų6568 Ų6825%0.24534%0.34CS..Hα-helixtrans-59.1-21.4170.5-68.1-175.9178.3160.36.4114.6H350 T355 G356 D357 T372H350-R352 PolarHBondContact O-N 3.32Å; H350-R352 VanDerWaalsContact O-N 3.15Å; R352-T355 WeakPolarHBondContact CA-OG1 3.15Å; R352-G356 CarbonylContact O-C 3.56Å; R352-G356 WeakPolarHBondContact O-CA 3.45Å; R352-G356 PolarHBondContact O-N 3.42Å; R352-G356 VanDerWaalsContact O-N 3.15Å; R352-D357 HydrophobicContact CB-CB 4.32Å; R352-D357 HydrophobicContact CG-CB 4.08Å; R352-D357 IonicContact NE-OD2 3.31Å; R352-D357 PolarHBondContact NE-OD2 2.96Å; R352-D357 PolarHBondContact O-N 3.31Å; R352-D357 VanDerWaalsContact O-N 3.16Å; R352-T372 HydrophobicContact CB-CG2 4.19Å; R352-T372 PolarHBondContact NH1-O 2.9Å
353I90Very high90.9Very high108 Ų10869.2 Ų69.255%0.55436%0.359SS*.Hα-helixtrans-72-41.1175-59.6172.2000109.6H350 S351H350-I353 VanDerWaalsContact O-CB 3.25Å; H350-I353 WeakPolarHBondContact O-CB 3.17Å; H350-I353 WeakPolarHBondContact O-CG1 3.46Å; H350-I353 PolarHBondContact O-N 3.23Å; S351-I353 PolarHBondContact O-N 3.33Å
354H89.8Confident90.6Very high69 Ų6971 Ų7132%0.31937%0.367SS..Hα-helixtrans-75.5-40.5179-60.4-67.9000112.6Y336 C337 H350 S351 G356Y336-H354 HydrophobicContact CD1-CB 4.34Å; Y336-H354 HydrophobicContact CD2-CB 3.85Å; Y336-H354 AromaticContact CD2-CD2 3.9Å; Y336-H354 HydrophobicContact CE2-CB 4.38Å; Y336-H354 HydrophobicContact CG-CB 3.83Å; Y336-H354 AromaticContact CG-CG 3.86Å; C337-H354 PolarHBondContact SG-NE2 3.36Å; C337-H354 VanDerWaalsContact SG-NE2 3.41Å; H350-H354 AromaticContact CD2-NE2 3.95Å; H350-H354 AromaticContact CE1-NE2 3.65Å; H350-H354 AromaticContact NE2-CD2 3.82Å; H350-H354 AromaticContact NE2-NE2 3.13Å; H350-H354 PolarHBondContact NE2-NE2 3.4Å; H350-H354 VanDerWaalsContact NE2-NE2 3.13Å; S351-H354 PolarHBondContact O-N 3.44Å; H354-G356 VanDerWaalsContact C-N 3.28Å; H354-G356 PolarHBondContact O-N 3.44Å
355T89.3Confident90.1Very high82 Ų8272.4 Ų72.450%0.50338%0.38SS..SBendtrans-80.8-6.417863.80000113.9S351 R352 D357S351-T355 PolarHBondContact O-N 3.18Å; S351-T355 PolarHBondContact O-OG1 2.94Å; R352-T355 WeakPolarHBondContact CA-OG1 3.15Å; T355-D357 PolarHBondContact O-N 3.47Å; T355-D357 VanDerWaalsContact O-N 3.16Å; T355-D357 WeakPolarHBondContact OG1-CB 3.31Å; T355-D357 PolarHBondContact OG1-N 3.26Å
356G88Confident89.7Confident46 Ų4675.3 Ų75.347%0.47442%0.416SS..  trans65.78.2-172.500000115R352 H354 R358R352-G356 CarbonylContact O-C 3.56Å; R352-G356 WeakPolarHBondContact O-CA 3.45Å; R352-G356 PolarHBondContact O-N 3.42Å; R352-G356 VanDerWaalsContact O-N 3.15Å; H354-G356 VanDerWaalsContact C-N 3.28Å; H354-G356 PolarHBondContact O-N 3.44Å; G356-R358 WeakPolarHBondContact O-CG 3.07Å; G356-R358 PolarHBondContact O-N 3.2Å
357D90.4Very high89.4Confident70 Ų7072.7 Ų72.737%0.37441%0.405SS..  trans-65113.6-174.8172.737.1000112.1R352 T355 P359R352-D357 HydrophobicContact CB-CB 4.32Å; R352-D357 HydrophobicContact CG-CB 4.08Å; R352-D357 IonicContact NE-OD2 3.31Å; R352-D357 PolarHBondContact NE-OD2 2.96Å; R352-D357 PolarHBondContact O-N 3.31Å; R352-D357 VanDerWaalsContact O-N 3.16Å; T355-D357 PolarHBondContact O-N 3.47Å; T355-D357 VanDerWaalsContact O-N 3.16Å; T355-D357 WeakPolarHBondContact OG1-CB 3.31Å; T355-D357 PolarHBondContact OG1-N 3.26Å; D357-P359 VanDerWaalsContact C-CD 3.49Å; D357-P359 WeakPolarHBondContact O-CD 3.43Å; D357-P359 WeakPolarHBondContact OD1-CD 3.11Å
358R89.5Confident89.1Confident137 Ų13780.1 Ų80.152%0.51744%0.439SS..  trans-123.471.5-176.6-68.6167.9106.5111.50.3109.8G356 Y360 S370 F371 T372G356-R358 WeakPolarHBondContact O-CG 3.07Å; G356-R358 PolarHBondContact O-N 3.2Å; R358-Y360 PolarHBondContact O-N 3.45Å; R358-S370 PolarHBondContact NE-O 3.26Å; R358-S370 PolarHBondContact NH2-O 3.4Å; R358-F371 CarbonylContact C-O 3.6Å; R358-F371 WeakPolarHBondContact CA-O 3.42Å; R358-T372 HydrophobicContact CG-CG2 3.97Å
359P89.9Confident88.9Confident63 Ų6381.5 Ų81.541%0.40944%0.444SS..  trans-70.1-15.5-171.128.2-33.9000113.1D357 K361D357-P359 VanDerWaalsContact C-CD 3.49Å; D357-P359 WeakPolarHBondContact O-CD 3.43Å; D357-P359 WeakPolarHBondContact OD1-CD 3.11Å; P359-K361 PolarHBondContact O-N 3.44Å
360Y90.9Very high88.9Confident60 Ų6079.8 Ų79.824%0.23544%0.439CS..EExtended strand (participates in β ladder)trans-99.387.3-178.5-53.4-70.3000111R358 F371 T372 L374R358-Y360 PolarHBondContact O-N 3.45Å; Y360-F371 WeakPolarHBondContact CB-O 3.38Å; Y360-F371 PolarHBondContact N-O 2.84Å; Y360-F371 VanDerWaalsContact N-O 3.16Å; Y360-F371 PolarHBondContact O-N 2.87Å; Y360-T372 WeakPolarHBondContact CE2-O 3.4Å; Y360-L374 HydrophobicContact CD1-CB 4.09Å; Y360-L374 HydrophobicContact CD1-CD1 4.04Å; Y360-L374 HydrophobicContact CE1-CB 3.95Å; Y360-L374 HydrophobicContact CE1-CD1 4.39Å; Y360-L374 HydrophobicContact CE2-CB 4.39Å; Y360-L374 HydrophobicContact CG-CB 4.38Å
361K89.8Confident88.7Confident146 Ų14680.5 Ų80.564%0.63544%0.442SS*.EExtended strand (participates in β ladder)trans-80.3146175.9-52.5-162.3176.4-1780111.7P359 S370 L377P359-K361 PolarHBondContact O-N 3.44Å; K361-S370 WeakPolarHBondContact CG-OG 3.36Å; K361-L377 WeakPolarHBondContact O-CD2 3.47Å
362C91.3Very high88.7Confident14 Ų1480 Ų8010%0.09544%0.437CS..  trans-72.5141166.5-1590000110.1C367 K369 L377 H384C362-C367 HydrophobicContact CB-CB 4.48Å; C362-K369 VanDerWaalsContact CB-O 3.27Å; C362-K369 WeakPolarHBondContact CB-O 3.42Å; C362-K369 PolarHBondContact N-O 3.15Å; C362-L377 HydrophobicContact CB-CD1 4.06Å; C362-H384 PolarHBondContact SG-NE2 3.38Å
363T89.1Confident88.5Confident123 Ų12379.6 Ų79.676%0.75544%0.439SS*.  trans-110.213.7177.264.50000111.9
364H84.8Confident88.4Confident78 Ų7877.1 Ų77.136%0.36143%0.426SS..SBendtrans-80.8135.4177.6-169.272.9000109.5G366 C367 H384H364-G366 PolarHBondContact O-N 3.12Å; H364-C367 HydrophobicContact CB-CB 4.28Å; H364-C367 PolarHBondContact O-N 3.12Å; H364-H384 HydrophobicContact CB-CB 4.49Å; H364-H384 VanDerWaalsContact CB-CD2 3.46Å; H364-H384 WeakPolarHBondContact CB-CD2 3.49Å; H364-H384 AromaticContact CD2-CD2 3.9Å; H364-H384 AromaticContact CD2-CE1 3.86Å; H364-H384 AromaticContact CD2-CG 3.49Å; H364-H384 VanDerWaalsContact CD2-CG 3.49Å; H364-H384 AromaticContact CD2-ND1 3.5Å; H364-H384 AromaticContact CG-CD2 3.66Å; H364-H384 AromaticContact CG-CG 3.58Å
365P82.4Confident88.2Confident110 Ų11075.9 Ų75.971%0.71443%0.425SS*.THydrogen-bonded Turntrans-52.9135.9178.2-26.635.5000111.8C367P365-C367 VanDerWaalsContact C-N 3.27Å; P365-C367 PolarHBondContact O-N 3.18Å
366G82Confident88.2Confident94 Ų9475.2 Ų75.297%0.96942%0.419SS*.THydrogen-bonded Turntrans70.113.9-177.600000115.4H364H364-G366 PolarHBondContact O-N 3.12Å
367C86.6Confident88.3Confident17 Ų1773.8 Ų73.812%0.11540%0.4CS..  trans-127.2101.9177.6-160.90000114.3C362 H364 P365 K369 H380 H384C362-C367 HydrophobicContact CB-CB 4.48Å; H364-C367 HydrophobicContact CB-CB 4.28Å; H364-C367 PolarHBondContact O-N 3.12Å; P365-C367 VanDerWaalsContact C-N 3.27Å; P365-C367 PolarHBondContact O-N 3.18Å; C367-K369 VanDerWaalsContact C-N 3.27Å; C367-K369 PolarHBondContact O-N 3.36Å; C367-H380 PolarHBondContact SG-NE2 2.78Å; C367-H384 PolarHBondContact SG-CE1 3.24Å; C367-H384 PolarHBondContact SG-NE2 3.26Å
368E87Confident88Confident185 Ų18575.2 Ų75.286%0.86440%0.404SS*.  trans-85.66.6-179.1-59.1179.6171.700113.9S370E368-S370 PolarHBondContact O-N 2.9Å; E368-S370 PolarHBondContact O-OG 3.41Å
369K88.1Confident87.7Confident121 Ų12170.5 Ų70.553%0.52639%0.392SS..  trans-66.7126.1-172.7-69.4179.6-179.9176.40111.6C362 C367 F371C362-K369 VanDerWaalsContact CB-O 3.27Å; C362-K369 WeakPolarHBondContact CB-O 3.42Å; C362-K369 PolarHBondContact N-O 3.15Å; C367-K369 VanDerWaalsContact C-N 3.27Å; C367-K369 PolarHBondContact O-N 3.36Å; K369-F371 HydrophobicContact CB-CE2 3.85Å; K369-F371 HydrophobicContact CB-CZ 3.94Å
370S90.7Very high87.6Confident30 Ų3067.9 Ų67.921%0.2138%0.375CS..EExtended strand (participates in β ladder)trans-120.4146.7-179.4-570000111.6R358 K361 E368R358-S370 PolarHBondContact NE-O 3.26Å; R358-S370 PolarHBondContact NH2-O 3.4Å; K361-S370 WeakPolarHBondContact CG-OG 3.36Å; E368-S370 PolarHBondContact O-N 2.9Å; E368-S370 PolarHBondContact O-OG 3.41Å
371F89.3Confident87.2Confident37 Ų3771 Ų7116%0.16239%0.386CS..EExtended strand (participates in β ladder)trans-131.9149.7-169.7-57.8-90.9000112.5R358 Y360 K369 Q373 N376 L377 H380R358-F371 CarbonylContact C-O 3.6Å; R358-F371 WeakPolarHBondContact CA-O 3.42Å; Y360-F371 WeakPolarHBondContact CB-O 3.38Å; Y360-F371 PolarHBondContact N-O 2.84Å; Y360-F371 VanDerWaalsContact N-O 3.16Å; Y360-F371 PolarHBondContact O-N 2.87Å; K369-F371 HydrophobicContact CB-CE2 3.85Å; K369-F371 HydrophobicContact CB-CZ 3.94Å; F371-Q373 VanDerWaalsContact C-N 3.31Å; F371-N376 HydrophobicContact CB-CB 4.26Å; F371-N376 HydrophobicContact CD1-CB 3.82Å; F371-N376 HydrophobicContact CG-CB 4.27Å; F371-L377 HydrophobicContact CB-CB 4.45Å; F371-L377 HydrophobicContact CD2-CB 3.97Å; F371-L377 HydrophobicContact CD2-CD1 3.93Å; F371-L377 HydrophobicContact CE2-CD1 4.09Å; F371-L377 HydrophobicContact CG-CB 4.37Å; F371-H380 HydrophobicContact CE1-CB 4.15Å; F371-H380 HydrophobicContact CE2-CB 3.92Å; F371-H380 AromaticContact CE2-CD2 3.36Å; F371-H380 WeakPolarHBondContact CE2-CD2 3.29Å; F371-H380 AromaticContact CE2-CG 3.77Å; F371-H380 HydrophobicContact CZ-CB 3.5Å; F371-H380 VanDerWaalsContact CZ-CB 3.5Å; F371-H380 AromaticContact CZ-CD2 3.47Å; F371-H380 VanDerWaalsContact CZ-CD2 3.47Å; F371-H380 WeakPolarHBondContact CZ-CD2 3.26Å; F371-H380 AromaticContact CZ-CG 3.41Å; F371-H380 VanDerWaalsContact CZ-CG 3.41Å
372T90.1Very high86.8Confident24 Ų2466.9 Ų66.915%0.14737%0.366CS..SBendtrans-76.6-16.9175.557.50000113.2R352 R358 Y360R352-T372 HydrophobicContact CB-CG2 4.19Å; R352-T372 PolarHBondContact NH1-O 2.9Å; R358-T372 HydrophobicContact CG-CG2 3.97Å; Y360-T372 WeakPolarHBondContact CE2-O 3.4Å
373Q89.3Confident86.2Confident58 Ų5871.1 Ų71.127%0.27139%0.385SS..SBendtrans-136.1143.8-175.3-61.3173.846.500112.3Q349 F371 S375 N376 L377Q349-Q373 HydrophobicContact CG-CG 4.16Å; F371-Q373 VanDerWaalsContact C-N 3.31Å; Q373-S375 PolarHBondContact OE1-OG 3.01Å; Q373-N376 HydrophobicContact CB-CB 4.42Å; Q373-N376 PolarHBondContact O-N 2.88Å; Q373-L377 PolarHBondContact O-N 3.26Å
374L88.2Confident85.7Confident56 Ų5667.7 Ų67.729%0.29336%0.36SS..Hα-helixtrans-68.1-37178.7-178.961.4000112.9Y360 N376 L377 Q378Y360-L374 HydrophobicContact CD1-CB 4.09Å; Y360-L374 HydrophobicContact CD1-CD1 4.04Å; Y360-L374 HydrophobicContact CE1-CB 3.95Å; Y360-L374 HydrophobicContact CE1-CD1 4.39Å; Y360-L374 HydrophobicContact CE2-CB 4.39Å; Y360-L374 HydrophobicContact CG-CB 4.38Å; L374-N376 VanDerWaalsContact C-N 3.3Å; L374-N376 PolarHBondContact O-N 3.03Å; L374-L377 HydrophobicContact CD1-CD2 4.35Å; L374-L377 PolarHBondContact O-N 2.96Å; L374-Q378 HydrophobicContact CD1-CG 4.49Å; L374-Q378 HydrophobicContact CG-CG 4.44Å; L374-Q378 WeakPolarHBondContact O-CG 3.29Å; L374-Q378 PolarHBondContact O-N 3.02Å
375S86.4Confident84.9Confident43 Ų4369.1 Ų69.130%0.30137%0.371SS..Hα-helixtrans-54.9-45.6174.245.80000111.8Q373 Q378 S379Q373-S375 PolarHBondContact OE1-OG 3.01Å; S375-Q378 PolarHBondContact O-N 3.49Å; S375-S379 PolarHBondContact O-N 3.08Å; S375-S379 PolarHBondContact O-OG 3.02Å
376N88.3Confident84.2Confident68 Ų6872.2 Ų72.236%0.36437%0.373SS..Hα-helixtrans-66.1-41.1178.7-64.7-2.3000111.2F371 Q373 L374 S379 H380F371-N376 HydrophobicContact CB-CB 4.26Å; F371-N376 HydrophobicContact CD1-CB 3.82Å; F371-N376 HydrophobicContact CG-CB 4.27Å; Q373-N376 HydrophobicContact CB-CB 4.42Å; Q373-N376 PolarHBondContact O-N 2.88Å; L374-N376 VanDerWaalsContact C-N 3.3Å; L374-N376 PolarHBondContact O-N 3.03Å; N376-S379 PolarHBondContact O-N 3.1Å; N376-H380 WeakPolarHBondContact O-CB 3.24Å; N376-H380 PolarHBondContact O-N 2.96Å
377L89.3Confident83.4Confident15 Ų1571.9 Ų71.98%0.07935%0.349CS..Hα-helixtrans-61.9-41.5171.9174.961.8000111.8K361 C362 F371 Q373 L374 H380 R381K361-L377 WeakPolarHBondContact O-CD2 3.47Å; C362-L377 HydrophobicContact CB-CD1 4.06Å; F371-L377 HydrophobicContact CB-CB 4.45Å; F371-L377 HydrophobicContact CD2-CB 3.97Å; F371-L377 HydrophobicContact CD2-CD1 3.93Å; F371-L377 HydrophobicContact CE2-CD1 4.09Å; F371-L377 HydrophobicContact CG-CB 4.37Å; Q373-L377 PolarHBondContact O-N 3.26Å; L374-L377 HydrophobicContact CD1-CD2 4.35Å; L374-L377 PolarHBondContact O-N 2.96Å; L377-H380 PolarHBondContact O-N 2.74Å; L377-R381 HydrophobicContact CD1-CG 4Å; L377-R381 HydrophobicContact CG-CG 4.36Å; L377-R381 WeakPolarHBondContact O-CB 3.5Å; L377-R381 WeakPolarHBondContact O-CG 3.39Å; L377-R381 PolarHBondContact O-N 3.19Å
378Q85.9Confident82.7Confident101 Ų10175.9 Ų75.947%0.47236%0.364SS..Hα-helixtrans-65.2-42.2177.7-74173.8-25.600112.4L374 S375 R381 R382L374-Q378 HydrophobicContact CD1-CG 4.49Å; L374-Q378 HydrophobicContact CG-CG 4.44Å; L374-Q378 WeakPolarHBondContact O-CG 3.29Å; L374-Q378 PolarHBondContact O-N 3.02Å; S375-Q378 PolarHBondContact O-N 3.49Å; Q378-R381 PolarHBondContact O-N 2.83Å; Q378-R382 PolarHBondContact O-N 3.4Å; Q378-R382 PolarHBondContact O-NE 3.03Å
379S83.1Confident82.1Confident38 Ų3870.5 Ų70.527%0.26635%0.345SS..Hα-helixtrans-64.4-39172.7-640000112.3S375 N376 R382S375-S379 PolarHBondContact O-N 3.08Å; S375-S379 PolarHBondContact O-OG 3.02Å; N376-S379 PolarHBondContact O-N 3.1Å; S379-R382 PolarHBondContact OG-NH2 3Å
380H86.5Confident81.5Confident7 Ų768.4 Ų68.43%0.03234%0.335CS..Hα-helixtrans-67-43174.2172.551.2000112.7C367 F371 N376 L377 R382 Q383 H384C367-H380 PolarHBondContact SG-NE2 2.78Å; F371-H380 HydrophobicContact CE1-CB 4.15Å; F371-H380 HydrophobicContact CE2-CB 3.92Å; F371-H380 AromaticContact CE2-CD2 3.36Å; F371-H380 WeakPolarHBondContact CE2-CD2 3.29Å; F371-H380 AromaticContact CE2-CG 3.77Å; F371-H380 HydrophobicContact CZ-CB 3.5Å; F371-H380 VanDerWaalsContact CZ-CB 3.5Å; F371-H380 AromaticContact CZ-CD2 3.47Å; F371-H380 VanDerWaalsContact CZ-CD2 3.47Å; F371-H380 WeakPolarHBondContact CZ-CD2 3.26Å; F371-H380 AromaticContact CZ-CG 3.41Å; F371-H380 VanDerWaalsContact CZ-CG 3.41Å; N376-H380 WeakPolarHBondContact O-CB 3.24Å; N376-H380 PolarHBondContact O-N 2.96Å; L377-H380 PolarHBondContact O-N 2.74Å; H380-R382 PolarHBondContact O-N 3.48Å; H380-Q383 PolarHBondContact ND1-OE1 3.08Å; H380-Q383 WeakPolarHBondContact O-CB 3.44Å; H380-Q383 WeakPolarHBondContact O-CG 3.44Å; H380-Q383 PolarHBondContact O-N 2.62Å; H380-H384 AromaticContact CD2-NE2 3.98Å; H380-H384 AromaticContact CE1-CE1 3.59Å; H380-H384 AromaticContact CE1-NE2 3.22Å; H380-H384 PolarHBondContact CE1-NE2 2.81Å; H380-H384 AromaticContact NE2-CD2 3.87Å; H380-H384 AromaticContact NE2-CE1 3.78Å; H380-H384 AromaticContact NE2-NE2 3.01Å; H380-H384 PolarHBondContact NE2-NE2 3.3Å
381R83.6Confident80.9Confident126 Ų12673.7 Ų73.748%0.47535%0.354SS..Hα-helixtrans-59.4-31.7178.5-78.8-179.167.3-1710.4113.3L377 Q378 Q383 H384 N385L377-R381 HydrophobicContact CD1-CG 4Å; L377-R381 HydrophobicContact CG-CG 4.36Å; L377-R381 WeakPolarHBondContact O-CB 3.5Å; L377-R381 WeakPolarHBondContact O-CG 3.39Å; L377-R381 PolarHBondContact O-N 3.19Å; Q378-R381 PolarHBondContact O-N 2.83Å; R381-Q383 PolarHBondContact O-N 2.95Å; R381-H384 PolarHBondContact O-N 3.4Å; R381-N385 PolarHBondContact O-N 3.38Å
382R81.1Confident80.5Confident59 Ų5971.9 Ų71.922%0.22335%0.346CS..Hα-helixtrans-62.6-25.6173.1-75.3178.7-82.5-177.9-8.4113.2Q378 S379 H380 K386 D387 I400Q378-R382 PolarHBondContact O-N 3.4Å; Q378-R382 PolarHBondContact O-NE 3.03Å; S379-R382 PolarHBondContact OG-NH2 3Å; H380-R382 PolarHBondContact O-N 3.48Å; R382-K386 PolarHBondContact O-N 2.78Å; R382-D387 PolarHBondContact O-N 2.99Å; R382-I400 HydrophobicContact CB-CG2 3.59Å; R382-I400 PolarHBondContact NH1-O 3.48Å
383Q78.2Confident79.9Confident103 Ų10375.6 Ų75.648%0.48137%0.371SS..Hα-helixtrans-65-42.3174.2-61.3164.62.300111.5H380 R381 K386 I400H380-Q383 PolarHBondContact ND1-OE1 3.08Å; H380-Q383 WeakPolarHBondContact O-CB 3.44Å; H380-Q383 WeakPolarHBondContact O-CG 3.44Å; H380-Q383 PolarHBondContact O-N 2.62Å; R381-Q383 PolarHBondContact O-N 2.95Å; Q383-K386 PolarHBondContact O-N 2.91Å; Q383-I400 HydrophobicContact CB-CD1 4.33Å; Q383-I400 HydrophobicContact CG-CD1 3.63Å
384H78.1Confident79.1Confident51 Ų5178.1 Ų78.124%0.23639%0.386CS..Hα-helixtrans-67.6-45-179-64.9-46.2000112.6C362 H364 C367 H380 R381 K386C362-H384 PolarHBondContact SG-NE2 3.38Å; H364-H384 HydrophobicContact CB-CB 4.49Å; H364-H384 VanDerWaalsContact CB-CD2 3.46Å; H364-H384 WeakPolarHBondContact CB-CD2 3.49Å; H364-H384 AromaticContact CD2-CD2 3.9Å; H364-H384 AromaticContact CD2-CE1 3.86Å; H364-H384 AromaticContact CD2-CG 3.49Å; H364-H384 VanDerWaalsContact CD2-CG 3.49Å; H364-H384 AromaticContact CD2-ND1 3.5Å; H364-H384 AromaticContact CG-CD2 3.66Å; H364-H384 AromaticContact CG-CG 3.58Å; C367-H384 PolarHBondContact SG-CE1 3.24Å; C367-H384 PolarHBondContact SG-NE2 3.26Å; H380-H384 AromaticContact CD2-NE2 3.98Å; H380-H384 AromaticContact CE1-CE1 3.59Å; H380-H384 AromaticContact CE1-NE2 3.22Å; H380-H384 PolarHBondContact CE1-NE2 2.81Å; H380-H384 AromaticContact NE2-CD2 3.87Å; H380-H384 AromaticContact NE2-CE1 3.78Å; H380-H384 AromaticContact NE2-NE2 3.01Å; H380-H384 PolarHBondContact NE2-NE2 3.3Å; R381-H384 PolarHBondContact O-N 3.4Å; H384-K386 PolarHBondContact O-N 2.94Å
385N69.6Low78.6Confident109 Ų10977.7 Ų77.758%0.58339%0.387SS*.THydrogen-bonded Turntrans-74.7-4.9-177.1-67.37.1000113.3R381 D387R381-N385 PolarHBondContact O-N 3.38Å; N385-D387 HydrophobicContact CB-CB 4.14Å; N385-D387 PolarHBondContact O-N 2.88Å
386K65.9Low77.9Confident175 Ų17581.6 Ų81.676%0.76141%0.405SS*.THydrogen-bonded Turntrans5213.6-166.4-60.7178.4-177.6173.10114.1R382 Q383 H384 K388R382-K386 PolarHBondContact O-N 2.78Å; Q383-K386 PolarHBondContact O-N 2.91Å; H384-K386 PolarHBondContact O-N 2.94Å; K386-K388 PolarHBondContact O-N 3.41Å
387D66.3Low77.3Confident87 Ų8784.2 Ų84.247%0.46541%0.413SS..  trans-69.3122.2-179.6-174.610.3000108.8R382 N385R382-D387 PolarHBondContact O-N 2.99Å; N385-D387 HydrophobicContact CB-CB 4.14Å; N385-D387 PolarHBondContact O-N 2.88Å
388K71.1Confident76.6Confident101 Ų10184.2 Ų84.244%0.43942%0.416SS..  trans-12975.1-172.5-78.4163.4165.9-124.10107.8K386 Y390 G398 Y399 I400K386-K388 PolarHBondContact O-N 3.41Å; K388-Y390 PolarHBondContact O-N 2.87Å; K388-G398 VanDerWaalsContact CD-O 3.27Å; K388-G398 WeakPolarHBondContact CD-O 3.5Å; K388-G398 WeakPolarHBondContact CE-O 3.5Å; K388-G398 PolarHBondContact NZ-O 3.46Å; K388-Y399 CarbonylContact C-O 3.58Å; K388-Y399 VanDerWaalsContact CA-O 3.23Å; K388-Y399 WeakPolarHBondContact CA-O 3.32Å; K388-I400 HydrophobicContact CG-CG1 4.37Å
389P75.1Confident76.2Confident72 Ų7281.9 Ų81.947%0.46840%0.403SS..  trans-63.3-27.3-174.8-21.633.9000112.3K391P389-K391 PolarHBondContact O-N 3.35Å
390Y74.8Confident75.8Confident76 Ų7682 Ų8230%0.29840%0.401SS..EExtended strand (participates in β ladder)trans-9490.3-174.7-60.8-80.5000109.8K388 Y399 I400 D401 A402 L405K388-Y390 PolarHBondContact O-N 2.87Å; Y390-Y399 PolarHBondContact N-O 3.35Å; Y390-Y399 PolarHBondContact O-N 3.2Å; Y390-I400 WeakPolarHBondContact CD2-O 3.29Å; Y390-D401 VanDerWaalsContact CD2-C 3.49Å; Y390-A402 HydrophobicContact CD1-CB 4.01Å; Y390-A402 HydrophobicContact CE1-CB 3.7Å; Y390-L405 HydrophobicContact CD1-CD2 4.41Å
391K80Confident75.4Confident141 Ų14184 Ų8461%0.61341%0.412SS*.EExtended strand (participates in β ladder)trans-90.5138.6175.8-63.4-177.7-176.1177.80111P389P389-K391 PolarHBondContact O-N 3.35Å
392C80.3Confident75.2Confident0 Ų080.3 Ų80.30%041%0.408CS..  trans-67.1124.1168.7176.10000110.8N394 C395 N396 K397 L405 M409 H412C392-N394 VanDerWaalsContact C-N 3.33Å; C392-N394 PolarHBondContact O-N 3.13Å; C392-N394 PolarHBondContact SG-N 2.87Å; C392-C395 PolarHBondContact SG-N 3.44Å; C392-N396 WeakPolarHBondContact O-CA 3.48Å; C392-N396 PolarHBondContact O-N 2.82Å; C392-K397 HydrophobicContact CB-CB 4.47Å; C392-K397 PolarHBondContact N-O 3.31Å; C392-L405 HydrophobicContact CB-CD1 4.16Å; C392-M409 HydrophobicContact CB-CE 3.67Å; C392-M409 WeakPolarHBondContact SG-CE 3.49Å; C392-H412 VanDerWaalsContact SG-CD2 3.51Å; C392-H412 PolarHBondContact SG-NE2 3.41Å
393P77.1Confident75.2Confident102 Ų10280.1 Ų80.166%0.66242%0.419SS*.THydrogen-bonded Turntrans-66.1-34.1174.324.6-31.1000112.4M409P393-M409 HydrophobicContact CG-SD 4.45Å
394N72.3Confident75.3Confident110 Ų11077.8 Ų77.859%0.58841%0.414SS*.THydrogen-bonded Turntrans-76.3-29.2-176.5-59.471.7000114.7C392 H412C392-N394 VanDerWaalsContact C-N 3.33Å; C392-N394 PolarHBondContact O-N 3.13Å; C392-N394 PolarHBondContact SG-N 2.87Å; N394-H412 HydrophobicContact CB-CB 4.15Å
395C77.3Confident75.4Confident47 Ų4776.7 Ų76.732%0.31841%0.41SS..THydrogen-bonded Turntrans-145.416.2-176.682.90000115.3C392 K397 H408 H412C392-C395 PolarHBondContact SG-N 3.44Å; C395-K397 PolarHBondContact O-N 3.03Å; C395-K397 VanDerWaalsContact SG-CG 3.59Å; C395-H408 PolarHBondContact SG-NE2 3.24Å; C395-H412 PolarHBondContact SG-CE1 2.8Å; C395-H412 PolarHBondContact SG-NE2 3.05Å
396N73.1Confident75.9Confident126 Ų12678.2 Ų78.267%0.67441%0.413SS*.  trans54.110.6175.7-78.2-51.5000117.4C392 G398C392-N396 WeakPolarHBondContact O-CA 3.48Å; C392-N396 PolarHBondContact O-N 2.82Å; N396-G398 PolarHBondContact O-N 3.13Å
397K74Confident76.5Confident123 Ų12374.7 Ų74.754%0.53541%0.406SS..  trans-64.5126.4173.1-74.2177.6-173.4174.60109.4C392 C395 Y399C392-K397 HydrophobicContact CB-CB 4.47Å; C392-K397 PolarHBondContact N-O 3.31Å; C395-K397 PolarHBondContact O-N 3.03Å; C395-K397 VanDerWaalsContact SG-CG 3.59Å; K397-Y399 HydrophobicContact CB-CE2 3.61Å; K397-Y399 VanDerWaalsContact O-CD2 3.28Å; K397-Y399 WeakPolarHBondContact O-CD2 3.26Å; K397-Y399 WeakPolarHBondContact O-CE2 3.34Å
398G75.8Confident77Confident14 Ų1471.3 Ų71.314%0.14439%0.388CS..EExtended strand (participates in β ladder)trans-92.4136.4179.700000113.1K388 N396K388-G398 VanDerWaalsContact CD-O 3.27Å; K388-G398 WeakPolarHBondContact CD-O 3.5Å; K388-G398 WeakPolarHBondContact CE-O 3.5Å; K388-G398 PolarHBondContact NZ-O 3.46Å; N396-G398 PolarHBondContact O-N 3.13Å
399Y76.8Confident77.1Confident52 Ų5268.5 Ų68.520%0.20438%0.377CS..EExtended strand (participates in β ladder)trans-122.2152.2-178.8-64.2-91.1000110.8K388 Y390 K397 L405 H408K388-Y399 CarbonylContact C-O 3.58Å; K388-Y399 VanDerWaalsContact CA-O 3.23Å; K388-Y399 WeakPolarHBondContact CA-O 3.32Å; Y390-Y399 PolarHBondContact N-O 3.35Å; Y390-Y399 PolarHBondContact O-N 3.2Å; K397-Y399 HydrophobicContact CB-CE2 3.61Å; K397-Y399 VanDerWaalsContact O-CD2 3.28Å; K397-Y399 WeakPolarHBondContact O-CD2 3.26Å; K397-Y399 WeakPolarHBondContact O-CE2 3.34Å; Y399-L405 HydrophobicContact CD2-CB 4.37Å; Y399-L405 HydrophobicContact CD2-CD1 3.67Å; Y399-L405 HydrophobicContact CE2-CD1 4.25Å; Y399-L405 HydrophobicContact CG-CB 4.31Å; Y399-L405 HydrophobicContact CG-CD1 4.43Å; Y399-H408 HydrophobicContact CE1-CB 3.92Å; Y399-H408 HydrophobicContact CE2-CB 3.99Å; Y399-H408 AromaticContact CE2-CD2 3.15Å; Y399-H408 WeakPolarHBondContact CE2-CD2 3.3Å; Y399-H408 AromaticContact CE2-CG 3.69Å; Y399-H408 AromaticContact CE2-NE2 3.91Å; Y399-H408 AromaticContact CZ-CD2 3.33Å; Y399-H408 AromaticContact CZ-CG 3.38Å; Y399-H408 PolarHBondContact OH-CD2 2.89Å; Y399-H408 PolarHBondContact OH-ND1 3.41Å; Y399-H408 PolarHBondContact OH-NE2 2.8Å
400I75.8Confident77.1Confident42 Ų4268.2 Ų68.222%0.21538%0.376CS..SBendtrans-78.8-33.9-174.9-74.2162.1000111.2R382 Q383 K388 Y390R382-I400 HydrophobicContact CB-CG2 3.59Å; R382-I400 PolarHBondContact NH1-O 3.48Å; Q383-I400 HydrophobicContact CB-CD1 4.33Å; Q383-I400 HydrophobicContact CG-CD1 3.63Å; K388-I400 HydrophobicContact CG-CG1 4.37Å; Y390-I400 WeakPolarHBondContact CD2-O 3.29Å
401D77.7Confident76.8Confident49 Ų4967.2 Ų67.226%0.26238%0.378SS..SBendtrans-137.6159.1-17764.1-27.2000112.3Y390 A403 S404 L405Y390-D401 VanDerWaalsContact CD2-C 3.49Å; D401-A403 VanDerWaalsContact C-N 3.32Å; D401-A403 PolarHBondContact O-N 3.41Å; D401-S404 PolarHBondContact O-N 3.31Å; D401-S404 WeakPolarHBondContact OD1-CB 3.5Å; D401-S404 PolarHBondContact OD1-OG 3.37Å; D401-L405 PolarHBondContact O-N 3.08Å
402A79.3Confident76.1Confident48 Ų4863.5 Ų63.540%0.39736%0.363SS..Hα-helixtrans-63.7-35.2-177.100000112.9Y390 L405 E406Y390-A402 HydrophobicContact CD1-CB 4.01Å; Y390-A402 HydrophobicContact CE1-CB 3.7Å; A402-L405 CarbonylContact O-C 3.36Å; A402-L405 WeakPolarHBondContact O-CB 3.44Å; A402-L405 PolarHBondContact O-N 2.78Å; A402-E406 WeakPolarHBondContact O-CB 3.4Å; A402-E406 PolarHBondContact O-N 2.83Å
403A80.1Confident75.3Confident55 Ų5569.1 Ų69.146%0.45540%0.397SS..Hα-helixtrans-65.1-42.2179.800000112.2D401 L405 E406 V407D401-A403 VanDerWaalsContact C-N 3.32Å; D401-A403 PolarHBondContact O-N 3.41Å; A403-L405 VanDerWaalsContact C-N 3.29Å; A403-L405 PolarHBondContact O-N 3.43Å; A403-E406 PolarHBondContact O-N 3.07Å; A403-V407 WeakPolarHBondContact O-CG2 3.37Å; A403-V407 PolarHBondContact O-N 3.44Å
404S80.6Confident74.4Confident53 Ų5366.4 Ų66.437%0.37138%0.378SS..Hα-helixtrans-68-30.7174-55.20000112.4D401 H408D401-S404 PolarHBondContact O-N 3.31Å; D401-S404 WeakPolarHBondContact OD1-CB 3.5Å; D401-S404 PolarHBondContact OD1-OG 3.37Å; S404-H408 WeakPolarHBondContact O-CB 3.19Å; S404-H408 PolarHBondContact O-N 3.36Å
405L81.4Confident73.4Confident29 Ų2971 Ų7115%0.15239%0.393CS..Hα-helixtrans-66.8-44.4170.8-179.869.7000110.8Y390 C392 Y399 D401 A402 A403 H408 M409Y390-L405 HydrophobicContact CD1-CD2 4.41Å; C392-L405 HydrophobicContact CB-CD1 4.16Å; Y399-L405 HydrophobicContact CD2-CB 4.37Å; Y399-L405 HydrophobicContact CD2-CD1 3.67Å; Y399-L405 HydrophobicContact CE2-CD1 4.25Å; Y399-L405 HydrophobicContact CG-CB 4.31Å; Y399-L405 HydrophobicContact CG-CD1 4.43Å; D401-L405 PolarHBondContact O-N 3.08Å; A402-L405 CarbonylContact O-C 3.36Å; A402-L405 WeakPolarHBondContact O-CB 3.44Å; A402-L405 PolarHBondContact O-N 2.78Å; A403-L405 VanDerWaalsContact C-N 3.29Å; A403-L405 PolarHBondContact O-N 3.43Å; L405-H408 CarbonylContact O-C 3.58Å; L405-H408 WeakPolarHBondContact O-CA 3.44Å; L405-H408 WeakPolarHBondContact O-CB 3.4Å; L405-H408 PolarHBondContact O-N 2.86Å; L405-M409 HydrophobicContact CD1-CE 3.4Å; L405-M409 VanDerWaalsContact CD1-CE 3.4Å; L405-M409 HydrophobicContact CD1-SD 4.25Å; L405-M409 HydrophobicContact CG-CE 4.06Å; L405-M409 HydrophobicContact CG-CG 4.36Å; L405-M409 HydrophobicContact CG-SD 4.49Å; L405-M409 WeakPolarHBondContact O-CE 3.38Å; L405-M409 WeakPolarHBondContact O-CG 3.18Å; L405-M409 PolarHBondContact O-N 3.05Å
406E79.2Confident72.1Confident141 Ų14177.2 Ų77.266%0.65942%0.417SS*.Hα-helixtrans-61.2-48179.6-174.5174.5-169.900111.9A402 A403 H408 M409 S410A402-E406 WeakPolarHBondContact O-CB 3.4Å; A402-E406 PolarHBondContact O-N 2.83Å; A403-E406 PolarHBondContact O-N 3.07Å; E406-H408 PolarHBondContact O-N 2.9Å; E406-M409 PolarHBondContact O-N 3.26Å; E406-S410 PolarHBondContact O-N 3.49Å; E406-S410 VanDerWaalsContact O-N 3.08Å
407V77.9Confident71.3Confident101 Ų10173.6 Ų73.661%0.61241%0.405SS*.Hα-helixtrans-60.7-24.7172173.50000112.3A403 S410A403-V407 WeakPolarHBondContact O-CG2 3.37Å; A403-V407 PolarHBondContact O-N 3.44Å; V407-S410 PolarHBondContact O-OG 3.19Å
408H78.4Confident70.5Confident16 Ų1675.3 Ų75.37%0.07441%0.412CS..Hα-helixtrans-84.9-30.6170.8178.150.3000113.3C395 Y399 S404 L405 E406 S410 T411 H412C395-H408 PolarHBondContact SG-NE2 3.24Å; Y399-H408 HydrophobicContact CE1-CB 3.92Å; Y399-H408 HydrophobicContact CE2-CB 3.99Å; Y399-H408 AromaticContact CE2-CD2 3.15Å; Y399-H408 WeakPolarHBondContact CE2-CD2 3.3Å; Y399-H408 AromaticContact CE2-CG 3.69Å; Y399-H408 AromaticContact CE2-NE2 3.91Å; Y399-H408 AromaticContact CZ-CD2 3.33Å; Y399-H408 AromaticContact CZ-CG 3.38Å; Y399-H408 PolarHBondContact OH-CD2 2.89Å; Y399-H408 PolarHBondContact OH-ND1 3.41Å; Y399-H408 PolarHBondContact OH-NE2 2.8Å; S404-H408 WeakPolarHBondContact O-CB 3.19Å; S404-H408 PolarHBondContact O-N 3.36Å; L405-H408 CarbonylContact O-C 3.58Å; L405-H408 WeakPolarHBondContact O-CA 3.44Å; L405-H408 WeakPolarHBondContact O-CB 3.4Å; L405-H408 PolarHBondContact O-N 2.86Å; E406-H408 PolarHBondContact O-N 2.9Å; H408-S410 PolarHBondContact O-N 3.47Å; H408-T411 PolarHBondContact CE1-OG1 3.11Å; H408-T411 PolarHBondContact ND1-OG1 2.85Å; H408-T411 WeakPolarHBondContact O-CB 3.5Å; H408-T411 PolarHBondContact O-N 2.78Å; H408-T411 PolarHBondContact O-OG1 2.87Å; H408-H412 AromaticContact CD2-NE2 3.89Å; H408-H412 AromaticContact CE1-CD2 3.74Å; H408-H412 AromaticContact CE1-CE1 3.98Å; H408-H412 AromaticContact CE1-NE2 3.04Å; H408-H412 PolarHBondContact CE1-NE2 3.4Å; H408-H412 AromaticContact ND1-NE2 3.95Å; H408-H412 AromaticContact NE2-CD2 3.71Å; H408-H412 AromaticContact NE2-NE2 2.99Å; H408-H412 PolarHBondContact NE2-NE2 2.86Å; H408-H412 PolarHBondContact O-CD2 3.26Å
409M72.3Confident69.8Low42 Ų4279.8 Ų79.821%0.20743%0.432CS..Hα-helixtrans-64.2-35.1174.2-65.8-47.384.500110.5C392 P393 L405 E406 T411 H412 T413C392-M409 HydrophobicContact CB-CE 3.67Å; C392-M409 WeakPolarHBondContact SG-CE 3.49Å; P393-M409 HydrophobicContact CG-SD 4.45Å; L405-M409 HydrophobicContact CD1-CE 3.4Å; L405-M409 VanDerWaalsContact CD1-CE 3.4Å; L405-M409 HydrophobicContact CD1-SD 4.25Å; L405-M409 HydrophobicContact CG-CE 4.06Å; L405-M409 HydrophobicContact CG-CG 4.36Å; L405-M409 HydrophobicContact CG-SD 4.49Å; L405-M409 WeakPolarHBondContact O-CE 3.38Å; L405-M409 WeakPolarHBondContact O-CG 3.18Å; L405-M409 PolarHBondContact O-N 3.05Å; E406-M409 PolarHBondContact O-N 3.26Å; M409-T411 PolarHBondContact O-N 3.16Å; M409-H412 PolarHBondContact O-N 2.92Å; M409-T413 PolarHBondContact O-N 3.25Å; M409-T413 PolarHBondContact O-OG1 2.86Å
410S74.4Confident69.2Low65 Ų6580.8 Ų80.846%0.45544%0.435SS..THydrogen-bonded Turntrans-67.58.3168.262.70000115E406 V407 H408 V414E406-S410 PolarHBondContact O-N 3.49Å; E406-S410 VanDerWaalsContact O-N 3.08Å; V407-S410 PolarHBondContact O-OG 3.19Å; H408-S410 PolarHBondContact O-N 3.47Å; S410-V414 WeakPolarHBondContact O-CG2 3.17Å
411T69.3Low68.4Low56 Ų5682.2 Ų82.234%0.34445%0.45SS..THydrogen-bonded Turntrans-105-11.9163.767.60000113.3H408 M409H408-T411 PolarHBondContact CE1-OG1 3.11Å; H408-T411 PolarHBondContact ND1-OG1 2.85Å; H408-T411 WeakPolarHBondContact O-CB 3.5Å; H408-T411 PolarHBondContact O-N 2.78Å; H408-T411 PolarHBondContact O-OG1 2.87Å; M409-T411 PolarHBondContact O-N 3.16Å
412H65.3Low68.1Low63 Ų6379.9 Ų79.929%0.29244%0.437SS..THydrogen-bonded Turntrans-103-32.6177.2-68.1-71.4000113.4C392 N394 C395 H408 M409 V414C392-H412 VanDerWaalsContact SG-CD2 3.51Å; C392-H412 PolarHBondContact SG-NE2 3.41Å; N394-H412 HydrophobicContact CB-CB 4.15Å; C395-H412 PolarHBondContact SG-CE1 2.8Å; C395-H412 PolarHBondContact SG-NE2 3.05Å; H408-H412 AromaticContact CD2-NE2 3.89Å; H408-H412 AromaticContact CE1-CD2 3.74Å; H408-H412 AromaticContact CE1-CE1 3.98Å; H408-H412 AromaticContact CE1-NE2 3.04Å; H408-H412 PolarHBondContact CE1-NE2 3.4Å; H408-H412 AromaticContact ND1-NE2 3.95Å; H408-H412 AromaticContact NE2-CD2 3.71Å; H408-H412 AromaticContact NE2-NE2 2.99Å; H408-H412 PolarHBondContact NE2-NE2 2.86Å; H408-H412 PolarHBondContact O-CD2 3.26Å; M409-H412 PolarHBondContact O-N 2.92Å; H412-V414 PolarHBondContact O-N 3.25Å
413T63.9Low67.6Low118 Ų11880.9 Ų80.972%0.72445%0.452SS*.SBendtrans-70.28.2174.355.10000113M409M409-T413 PolarHBondContact O-N 3.25Å; M409-T413 PolarHBondContact O-OG1 2.86Å
414V57.3Low67.2Low44 Ų4483.8 Ų83.827%0.26746%0.459SS..  trans-137.181.8-153.7-172.90000110.9S410 H412 H416 A417S410-V414 WeakPolarHBondContact O-CG2 3.17Å; H412-V414 PolarHBondContact O-N 3.25Å; V414-H416 WeakPolarHBondContact CG1-O 3.49Å; V414-H416 PolarHBondContact O-N 2.9Å; V414-A417 HydrophobicContact CG1-CB 3.51Å
415K52.7Low67Low207 Ų20783.6 Ų83.690%0.946%0.457SS*.SBendtrans-71.2-2.7153.6-70.7-173.2177.4-1790112.5
416H49.7Very low66.1Low178 Ų17888.6 Ų88.682%0.82448%0.484SS*.SBendtrans-126.553-178.5-65.5-75.8000112V414 K418V414-H416 WeakPolarHBondContact CG1-O 3.49Å; V414-H416 PolarHBondContact O-N 2.9Å; H416-K418 PolarHBondContact O-N 2.92Å
417A55.5Low65.5Low49 Ų4989.3 Ų89.341%0.40548%0.481SS..  trans-78125.8178.100000106.7V414 I419V414-A417 HydrophobicContact CG1-CB 3.51Å; A417-I419 HydrophobicContact CB-CG1 4.22Å; A417-I419 PolarHBondContact O-N 3.27Å
418K56.4Low64.8Low159 Ų15988.5 Ų88.569%0.69148%0.48SS*.  trans-64.394.9156.3-85.5-171.9173.6-177.80106.7H416 Y420H416-K418 PolarHBondContact O-N 2.92Å; K418-Y420 HydrophobicContact CB-CE1 4.39Å; K418-Y420 HydrophobicContact CB-CE2 3.96Å; K418-Y420 WeakPolarHBondContact O-CD2 3.45Å; K418-Y420 VanDerWaalsContact O-CE2 3.26Å; K418-Y420 WeakPolarHBondContact O-CE2 3.41Å; K418-Y420 PolarHBondContact O-N 3.21Å
419I61.4Low64.4Low109 Ų10990.1 Ų90.156%0.55949%0.486SS*.  trans-72.7107.6168.7-63.8175.6000105.3A417 S421A417-I419 HydrophobicContact CB-CG1 4.22Å; A417-I419 PolarHBondContact O-N 3.27Å; I419-S421 PolarHBondContact O-N 3.41Å
420Y65.6Low64.1Low72 Ų7293.3 Ų93.328%0.28251%0.508SS..EExtended strand (participates in β ladder)trans-78.797.7177.1-66.1-80000107.7K418 Y429 E432K418-Y420 HydrophobicContact CB-CE1 4.39Å; K418-Y420 HydrophobicContact CB-CE2 3.96Å; K418-Y420 WeakPolarHBondContact O-CD2 3.45Å; K418-Y420 VanDerWaalsContact O-CE2 3.26Å; K418-Y420 WeakPolarHBondContact O-CE2 3.41Å; K418-Y420 PolarHBondContact O-N 3.21Å; Y420-Y429 PolarHBondContact N-O 3.3Å; Y420-Y429 WeakPolarHBondContact O-CD2 3.23Å; Y420-Y429 PolarHBondContact O-N 3.32Å; Y420-E432 HydrophobicContact CD1-CB 4.41Å; Y420-E432 HydrophobicContact CD2-CB 4.36Å; Y420-E432 HydrophobicContact CE1-CB 4.12Å; Y420-E432 HydrophobicContact CE1-CG 4.35Å; Y420-E432 HydrophobicContact CE2-CB 4.06Å
421S57.1Low63.6Low73 Ų7392 Ų9251%0.5150%0.499SS..EExtended strand (participates in β ladder)trans-84.1137.6174.546.90000111I419 G423 R427I419-S421 PolarHBondContact O-N 3.41Å; S421-G423 PolarHBondContact O-N 2.85Å; S421-R427 CarbonylContact C-O 3.49Å; S421-R427 WeakPolarHBondContact CA-O 3.25Å
422C71.3Confident63.5Low0 Ų094.9 Ų94.90%051%0.508CS..  trans-80.5112.9171.1-176.30000110.1L424 C425 N426 R427 Y429 L435 H442C422-L424 PolarHBondContact O-N 2.36Å; C422-C425 PolarHBondContact O-N 3.39Å; C422-C425 VanDerWaalsContact O-N 3.16Å; C422-N426 VanDerWaalsContact O-CA 3.3Å; C422-N426 WeakPolarHBondContact O-CA 3.46Å; C422-N426 PolarHBondContact O-N 3.13Å; C422-R427 PolarHBondContact N-O 3.11Å; C422-Y429 HydrophobicContact CB-CE2 4.43Å; C422-L435 HydrophobicContact CB-CD1 3.62Å; C422-H442 VanDerWaalsContact SG-CD2 3.56Å; C422-H442 PolarHBondContact SG-NE2 2.74Å; C422-H442 VanDerWaalsContact SG-NE2 3.44Å
423G70.1Confident63.8Low69 Ų6995.9 Ų95.971%0.71152%0.519SS*.THydrogen-bonded Turntrans-61.6-14.2-178.900000115.4S421S421-G423 PolarHBondContact O-N 2.85Å
424L70.4Confident64.2Low115 Ų11597.7 Ų97.760%0.60251%0.513SS*.THydrogen-bonded Turntrans-90.6-18179.1-60.3176.1000113.9C422 H442C422-L424 PolarHBondContact O-N 2.36Å; L424-H442 HydrophobicContact CD1-CB 3.6Å
425C77Confident65Low49 Ų4996.7 Ų96.733%0.33151%0.506SS..THydrogen-bonded Turntrans-1497.9-176.471.90000115C422 R427 H438 H442C422-C425 PolarHBondContact O-N 3.39Å; C422-C425 VanDerWaalsContact O-N 3.16Å; C425-R427 PolarHBondContact O-N 2.73Å; C425-H438 PolarHBondContact SG-NE2 3.21Å; C425-H442 PolarHBondContact SG-NE2 3.03Å
426N62.6Low66.1Low134 Ų13490.3 Ų90.372%0.71749%0.485SS*.  trans51.520.1-178.4-72.3-27.6000116.3C422C422-N426 VanDerWaalsContact O-CA 3.3Å; C422-N426 WeakPolarHBondContact O-CA 3.46Å; C422-N426 PolarHBondContact O-N 3.13Å
427R67.6Low67.3Low156 Ų15688 Ų8859%0.58947%0.472SS*.  trans-73.8133.2172-73.1-177.8173.7162.50.8111.2S421 C422 C425 Y429S421-R427 CarbonylContact C-O 3.49Å; S421-R427 WeakPolarHBondContact CA-O 3.25Å; C422-R427 PolarHBondContact N-O 3.11Å; C425-R427 PolarHBondContact O-N 2.73Å; R427-Y429 HydrophobicContact CB-CE2 3.62Å; R427-Y429 WeakPolarHBondContact O-CD2 3.41Å; R427-Y429 WeakPolarHBondContact O-CE2 3.33Å
428S61.9Low68.2Low85 Ų8586.6 Ų86.659%0.59446%0.457SS*.EExtended strand (participates in β ladder)trans-95.3135.8-178.442.10000112.5
429Y69.7Low68.7Low49 Ų4983.1 Ų83.119%0.19245%0.445CS..EExtended strand (participates in β ladder)trans-127.6139.4179.4-62.2-86.3000110.7Y420 C422 R427 S431 L435 H438Y420-Y429 PolarHBondContact N-O 3.3Å; Y420-Y429 WeakPolarHBondContact O-CD2 3.23Å; Y420-Y429 PolarHBondContact O-N 3.32Å; C422-Y429 HydrophobicContact CB-CE2 4.43Å; R427-Y429 HydrophobicContact CB-CE2 3.62Å; R427-Y429 WeakPolarHBondContact O-CD2 3.41Å; R427-Y429 WeakPolarHBondContact O-CE2 3.33Å; Y429-S431 VanDerWaalsContact C-N 3.29Å; Y429-L435 HydrophobicContact CD2-CB 4.28Å; Y429-L435 HydrophobicContact CD2-CD1 3.9Å; Y429-L435 HydrophobicContact CE2-CD1 4.27Å; Y429-L435 HydrophobicContact CG-CB 4.39Å; Y429-H438 HydrophobicContact CE1-CB 4.25Å; Y429-H438 HydrophobicContact CE2-CB 4.15Å; Y429-H438 AromaticContact CE2-CD2 3.28Å; Y429-H438 WeakPolarHBondContact CE2-CD2 3.39Å; Y429-H438 AromaticContact CE2-CG 3.85Å; Y429-H438 AromaticContact CZ-CD2 3.42Å; Y429-H438 VanDerWaalsContact CZ-CD2 3.42Å; Y429-H438 AromaticContact CZ-CG 3.56Å; Y429-H438 PolarHBondContact OH-CD2 3.04Å; Y429-H438 PolarHBondContact OH-NE2 3.05Å
430T66.9Low69.4Low110 Ų11083.9 Ų83.968%0.67545%0.446SS*.SBendtrans-87.13.5177.554.80000113.3
431S65Low69.5Low38 Ų3888.7 Ų88.727%0.26647%0.468SS..SBendtrans-149131.1-179.9177.70000110.3Y429 T433 Y434 L435Y429-S431 VanDerWaalsContact C-N 3.29Å; S431-T433 VanDerWaalsContact C-N 3.3Å; S431-T433 PolarHBondContact O-N 3.5Å; S431-T433 PolarHBondContact OG-OG1 3.26Å; S431-Y434 PolarHBondContact O-N 3.19Å; S431-L435 PolarHBondContact O-N 3.21Å; S431-L435 VanDerWaalsContact O-N 3.13Å
432E65.6Low70.1Confident115 Ų11588.3 Ų88.354%0.53746%0.458SS..Hα-helixtrans-54.7-43.6175.9-174.7173.4-156.700111.9Y420 Y434 L435 V436Y420-E432 HydrophobicContact CD1-CB 4.41Å; Y420-E432 HydrophobicContact CD2-CB 4.36Å; Y420-E432 HydrophobicContact CE1-CB 4.12Å; Y420-E432 HydrophobicContact CE1-CG 4.35Å; Y420-E432 HydrophobicContact CE2-CB 4.06Å; E432-Y434 PolarHBondContact O-N 3.21Å; E432-Y434 VanDerWaalsContact O-N 3.15Å; E432-L435 PolarHBondContact O-N 3.41Å; E432-V436 WeakPolarHBondContact O-CG2 3.16Å; E432-V436 PolarHBondContact O-N 3.35Å
433T73.1Confident69.7Low84 Ų8493.1 Ų93.152%0.51548%0.484SS..Hα-helixtrans-61.5-25.4178650000113.9S431 K437S431-T433 VanDerWaalsContact C-N 3.3Å; S431-T433 PolarHBondContact O-N 3.5Å; S431-T433 PolarHBondContact OG-OG1 3.26Å; T433-K437 WeakPolarHBondContact O-CG 3.47Å; T433-K437 PolarHBondContact O-N 2.85Å
434Y70.9Confident69Low156 Ų15694.7 Ų94.761%0.61248%0.482SS*.Hα-helixtrans-85.6-30.7174.2-85.4-91.9000112.4S431 E432 H438S431-Y434 PolarHBondContact O-N 3.19Å; E432-Y434 PolarHBondContact O-N 3.21Å; E432-Y434 VanDerWaalsContact O-N 3.15Å; Y434-H438 WeakPolarHBondContact O-CB 3.44Å; Y434-H438 PolarHBondContact O-N 2.81Å; Y434-H438 VanDerWaalsContact O-N 3.15Å
435L74.8Confident67.9Low23 Ų2396.1 Ų96.112%0.1249%0.49CS..Hα-helixtrans-65.2-46.4168.3175.662.3000110.5C422 Y429 S431 E432 K437 H438 M439C422-L435 HydrophobicContact CB-CD1 3.62Å; Y429-L435 HydrophobicContact CD2-CB 4.28Å; Y429-L435 HydrophobicContact CD2-CD1 3.9Å; Y429-L435 HydrophobicContact CE2-CD1 4.27Å; Y429-L435 HydrophobicContact CG-CB 4.39Å; S431-L435 PolarHBondContact O-N 3.21Å; S431-L435 VanDerWaalsContact O-N 3.13Å; E432-L435 PolarHBondContact O-N 3.41Å; L435-K437 PolarHBondContact O-N 3.36Å; L435-H438 CarbonylContact O-C 3.49Å; L435-H438 WeakPolarHBondContact O-CA 3.42Å; L435-H438 WeakPolarHBondContact O-CB 3.37Å; L435-H438 PolarHBondContact O-N 3.34Å; L435-M439 HydrophobicContact CD1-CG 3.86Å; L435-M439 HydrophobicContact CD1-SD 4.19Å; L435-M439 HydrophobicContact CD2-SD 4.42Å; L435-M439 HydrophobicContact CG-CG 4.17Å; L435-M439 HydrophobicContact CG-SD 4.17Å; L435-M439 WeakPolarHBondContact O-CG 3.43Å; L435-M439 PolarHBondContact O-N 3.44Å
436V74.6Confident66.4Low73 Ų73101 Ų10144%0.44251%0.508SS..Hα-helixtrans-56.4-51178.9173.90000110.8E432 H438 M439 E440E432-V436 WeakPolarHBondContact O-CG2 3.16Å; E432-V436 PolarHBondContact O-N 3.35Å; V436-H438 PolarHBondContact O-N 3.01Å; V436-H438 VanDerWaalsContact O-N 3.1Å; V436-M439 PolarHBondContact O-N 2.99Å; V436-E440 WeakPolarHBondContact O-CG 3.31Å; V436-E440 PolarHBondContact O-N 3.19Å
437K75.4Confident65.7Low131 Ų131103.1 Ų103.157%0.5752%0.518SS*.Hα-helixtrans-63.5-15.2174.3-72.4180178.6179.30115.3T433 L435 E440T433-K437 WeakPolarHBondContact O-CG 3.47Å; T433-K437 PolarHBondContact O-N 2.85Å; L435-K437 PolarHBondContact O-N 3.36Å; K437-E440 WeakPolarHBondContact CA-OE2 3.47Å
438H74.9Confident64.3Low19 Ų19101.3 Ų101.39%0.08853%0.525CS..Hα-helixtrans-89.5-36.7171.6176.544.1000111.8C425 Y429 Y434 L435 V436 K441 H442C425-H438 PolarHBondContact SG-NE2 3.21Å; Y429-H438 HydrophobicContact CE1-CB 4.25Å; Y429-H438 HydrophobicContact CE2-CB 4.15Å; Y429-H438 AromaticContact CE2-CD2 3.28Å; Y429-H438 WeakPolarHBondContact CE2-CD2 3.39Å; Y429-H438 AromaticContact CE2-CG 3.85Å; Y429-H438 AromaticContact CZ-CD2 3.42Å; Y429-H438 VanDerWaalsContact CZ-CD2 3.42Å; Y429-H438 AromaticContact CZ-CG 3.56Å; Y429-H438 PolarHBondContact OH-CD2 3.04Å; Y429-H438 PolarHBondContact OH-NE2 3.05Å; Y434-H438 WeakPolarHBondContact O-CB 3.44Å; Y434-H438 PolarHBondContact O-N 2.81Å; Y434-H438 VanDerWaalsContact O-N 3.15Å; L435-H438 CarbonylContact O-C 3.49Å; L435-H438 WeakPolarHBondContact O-CA 3.42Å; L435-H438 WeakPolarHBondContact O-CB 3.37Å; L435-H438 PolarHBondContact O-N 3.34Å; V436-H438 PolarHBondContact O-N 3.01Å; V436-H438 VanDerWaalsContact O-N 3.1Å; H438-K441 WeakPolarHBondContact O-CB 3.49Å; H438-K441 PolarHBondContact O-N 3.41Å; H438-K441 VanDerWaalsContact O-N 3.09Å; H438-H442 AromaticContact CD2-NE2 3.91Å; H438-H442 AromaticContact CE1-CD2 3.73Å; H438-H442 AromaticContact CE1-CE1 3.94Å; H438-H442 AromaticContact CE1-NE2 3.11Å; H438-H442 PolarHBondContact CE1-NE2 2.83Å; H438-H442 AromaticContact NE2-CD2 3.7Å; H438-H442 AromaticContact NE2-NE2 3Å; H438-H442 PolarHBondContact NE2-NE2 3.34Å; H438-H442 PolarHBondContact O-CD2 3.22Å
439M67.6Low63.3Low86 Ų86102.2 Ų102.242%0.42454%0.537SS..Hα-helixtrans-68.8-33.9174-67.1-164.272.100112.3L435 V436 K441 H442 N443L435-M439 HydrophobicContact CD1-CG 3.86Å; L435-M439 HydrophobicContact CD1-SD 4.19Å; L435-M439 HydrophobicContact CD2-SD 4.42Å; L435-M439 HydrophobicContact CG-CG 4.17Å; L435-M439 HydrophobicContact CG-SD 4.17Å; L435-M439 WeakPolarHBondContact O-CG 3.43Å; L435-M439 PolarHBondContact O-N 3.44Å; V436-M439 PolarHBondContact O-N 2.99Å; M439-K441 PolarHBondContact O-N 3.49Å; M439-K441 VanDerWaalsContact O-N 3.09Å; M439-H442 PolarHBondContact O-N 2.93Å; M439-N443 PolarHBondContact O-N 3.41Å
440E74.9Confident61.9Low125 Ų125105.3 Ų105.358%0.58457%0.566SS**THydrogen-bonded Turntrans-54.3-23.9166.7-73.7168.4-175.300113V436 K437V436-E440 WeakPolarHBondContact O-CG 3.31Å; V436-E440 PolarHBondContact O-N 3.19Å; K437-E440 WeakPolarHBondContact CA-OE2 3.47Å
441K68.6Low60.6Low172 Ų172106.5 Ų106.575%0.74857%0.573SS**THydrogen-bonded Turntrans-89.5-12.8175.5-62.4-174.6176.1-1690114.3H438 M439H438-K441 WeakPolarHBondContact O-CB 3.49Å; H438-K441 PolarHBondContact O-N 3.41Å; H438-K441 VanDerWaalsContact O-N 3.09Å; M439-K441 PolarHBondContact O-N 3.49Å; M439-K441 VanDerWaalsContact O-N 3.09Å
442H68.6Low59.3Low65 Ų65111.5 Ų111.530%0.30160%0.601SS.*THydrogen-bonded Turntrans-90.1-25.7173.4-73.1-68.3000112.1C422 L424 C425 H438 M439 P444C422-H442 VanDerWaalsContact SG-CD2 3.56Å; C422-H442 PolarHBondContact SG-NE2 2.74Å; C422-H442 VanDerWaalsContact SG-NE2 3.44Å; L424-H442 HydrophobicContact CD1-CB 3.6Å; C425-H442 PolarHBondContact SG-NE2 3.03Å; H438-H442 AromaticContact CD2-NE2 3.91Å; H438-H442 AromaticContact CE1-CD2 3.73Å; H438-H442 AromaticContact CE1-CE1 3.94Å; H438-H442 AromaticContact CE1-NE2 3.11Å; H438-H442 PolarHBondContact CE1-NE2 2.83Å; H438-H442 AromaticContact NE2-CD2 3.7Å; H438-H442 AromaticContact NE2-NE2 3Å; H438-H442 PolarHBondContact NE2-NE2 3.34Å; H438-H442 PolarHBondContact O-CD2 3.22Å; M439-H442 PolarHBondContact O-N 2.93Å; H442-P444 WeakPolarHBondContact O-CD 3.37Å
443N63.7Low57.8Low102 Ų102111.8 Ų111.855%0.54562%0.616SS.*  trans-120.682.5178.6-91.8-9000112.4M439M439-N443 PolarHBondContact O-N 3.41Å
444P54.9Low56Low102 Ų102112.2 Ų112.266%0.66263%0.628SS**SBendtrans-73.6-30.4158.928.2-30.7000113H442H442-P444 WeakPolarHBondContact O-CD 3.37Å
445D46.8Very low54.1Low145 Ų145109.5 Ų109.578%0.77564%0.638SS**SBendtrans-130.116-157.2-69.4-54.1000117.8
446Q45.7Very low52.3Low150 Ų150118 Ų11870%0.70168%0.677SS**  trans-120.375.5175.7-69.7-156.21000114.8T448Q446-T448 VanDerWaalsContact C-N 3.34Å
447L49Very low50.3Low180 Ų180119.5 Ų119.594%0.94270%0.697SS**  trans-90.356.2158.2-107.8169.2000111
448T38.3Very low48.3Very low118 Ų118117.8 Ų117.872%0.72471%0.707SS**SBendtrans-144141.1168.1470000112Q446Q446-T448 VanDerWaalsContact C-N 3.34Å
449A39.7Very low46.5Very low103 Ų103126.2 Ų126.285%0.85175%0.747SS**  trans-51.4162.4-169.300000117.9
450S40.7Very low45Very low114 Ų114131.5 Ų131.580%0.79777%0.77SS**  trans101.263.9159.9-165.10000119.3
451V38.9Very low42.8Very low135 Ų135130.9 Ų130.982%0.81878%0.78SS**  trans-14070.1150.3-160.80000111.8
452V38.2Very low41.2Very low143 Ų143131.8 Ų131.887%0.86779%0.786SS**SBendtrans-116.8-9.6173.3174.50000112.9
453S34.3Very low39.4Very low122 Ų122134.3 Ų134.385%0.85381%0.811SS**SBendtrans-122.719.8-164.3-51.20000115.8
454A35.6Very low37.9Very low92 Ų92138.6 Ų138.676%0.7683%0.828SS**SBendtrans-12525.5-171.800000115.1
455A31.1Very low36.6Very low100 Ų100138.5 Ų138.583%0.82684%0.836SS**SBendtrans-136.732.8-175.800000114.8
456Q36.3Very low35.9Very low202 Ų202141.5 Ų141.594%0.94485%0.845SS**SBendtrans-129.85.8175.3-78.3-173.2-31.800115
457A32.7Very low35Very low103 Ų103137.6 Ų137.685%0.85185%0.845SS**SBendtrans-129.252.8-172.100000114
458A34.6Very low34.2Very low95 Ų95138.3 Ų138.379%0.78584%0.844SS**SBendtrans-163.158169.300000114.1
459Q35.9Very low33.6Very low197 Ų197137.9 Ų137.992%0.92185%0.852SS**  trans-156.346.2168.3-120167.927.900114.7
460Q37.1Very low33Very low197 Ų197136.9 Ų136.992%0.92185%0.852SS**  trans-140.575.8166.1-80.1-166.6-16.100111.6
461S29Very low32.3Very low111 Ų111136 Ų13678%0.77685%0.852SS**  trans-172.4149.2161.5520000111.1
462Q35.1Very low31.9Very low191 Ų191139 Ų13989%0.89386%0.857SS**  trans81.467.6171.4-54.5-176.3-0.900117.4
463S30Very low31.4Very low118 Ų118135.6 Ų135.683%0.82585%0.851SS**  trans-125.678.9145.562.30000109.9
464Q31.4Very low31Very low193 Ų193140.7 Ų140.790%0.90285%0.851SS**  trans-168.5158.2164.3-110.6163.522.900111
465A28.6Very low30.6Very low100 Ų100141.5 Ų141.583%0.82685%0.846SS**  trans70.875-179.500000117.3
466Q31.5Very low30.3Very low207 Ų207144.3 Ų144.397%0.96784%0.842SS**  trans-78.3128.2134.4-80.4-175.9-36.100108
467G28Very low29.9Very low68 Ų68139.4 Ų139.470%0.70183%0.83SS**  trans-166.1103-179.400000113.2
468Q31Very low29.6Very low195 Ų195140.1 Ų140.191%0.91183%0.825SS**  trans68.1115.7157.1-62.4179.2-14.600120.4
469A26.5Very low29.3Very low109 Ų109143.1 Ų143.190%0.90183%0.827SS**  47.9128.9126.100000121.8
470G26Very low28.8Very low83 Ų83137.6 Ų137.686%0.85682%0.824SS**  trans171.5118.2160.900000111.8
471A26.9Very low28.3Very low95 Ų95132 Ų13279%0.78582%0.818SS**  trans-94.2159.7-178.600000112.7
472Q30.5Very low28.3Very low198 Ų198132.6 Ų132.693%0.92582%0.823SS**  156.1148.3125.1-83.81743.300114.2
473G26.6Very low28Very low71 Ų71135.6 Ų135.673%0.73283%0.826SS**  trans77.1129.3166.700000115.9
474R26.4Very low28.1Very low229 Ų229141.3 Ų141.386%0.86483%0.829SS**  cis59.5128.429.7-131.2-162.4167.5158.1-2.5111.3
475V27.4Very low28.3Very low109 Ų109138.1 Ų138.166%0.66183%0.826SS**  cis-151.616927.1-147.60000112.5
476E25.5Very low28.1Very low159 Ų159136.8 Ų136.874%0.74382%0.821SS**  trans-26.9177.6168.2-67.815985.100124.7
477S27.4Very low27.9Very low99 Ų99130.8 Ų130.869%0.69282%0.815SS**  trans91.6114.7157.2-62.60000117.5
478T26.7Very low27.9Very low119 Ų119132.5 Ų132.573%0.7382%0.823SS**  cis91.3145.94666.60000114.8
479D27.4Very low27.6Very low157 Ų157127.4 Ų127.484%0.8482%0.822SS**  trans70104170.8-62.3-44.9000120.6
480G25.7Very low27.6Very low82 Ų82126 Ų12685%0.84582%0.818SS**  90.4140.189.300000118.2
481G26.6Very low27.6Very low78 Ų78125.9 Ų125.980%0.80482%0.817SS**  trans143.974.7162.700000117.2
482S29.1Very low27.5Very low125 Ų125126 Ų12687%0.87482%0.818SS**  trans-63.2130.8164.1-61.50000111.7
483R28.9Very low27.2Very low254 Ų254121.7 Ų121.796%0.95882%0.816SS**  trans-137.9139.7152.5-73.8-161.4179.6-138-1.4112.8
484R32.8Very low27.1Very low237 Ų237122.2 Ų122.289%0.89482%0.822SS**  trans-107.1155.2177.4-147.1-178.4179.8-154.80.6108.1
485P34Very low27Very low127 Ų127115.3 Ų115.383%0.82582%0.822SS**  -133.5168.1123.136.4-27.3000111.6
486G25.4Very low26.9Very low72 Ų72113.8 Ų113.874%0.74283%0.828SS**  cis143.967.9-600000114.8
487G27.6Very low27Very low80 Ų80115.7 Ų115.783%0.82584%0.837SS**  trans81.4170.3167.600000116.9
488A27.6Very low26.9Very low105 Ų105120.4 Ų120.487%0.86885%0.848SS**  cis-169.7155.3-19.300000111
489G25.4Very low26.8Very low87 Ų87120.8 Ų120.890%0.89786%0.856SS**  trans77.4154.3163.300000117.8
490G26.1Very low26.8Very low79 Ų79121.7 Ų121.781%0.81486%0.855SS**  cis159.3115.6-11.200000114.5
491G24.8Very low26.7Very low81 Ų81125 Ų12584%0.83585%0.853SS**  trans71.6171167.400000117.3
492A25.4Very low26.6Very low98 Ų98127 Ų12781%0.8186%0.855SS**  cis-166.8154-2500000110.4
493A25.1Very low26.5Very low107 Ų107131.8 Ų131.888%0.88486%0.855SS**  trans57.6135.615300000122.8
494G24.1Very low26.4Very low82 Ų82125.2 Ų125.285%0.84585%0.845SS**  121133.1125.300000118.4
495G24.8Very low26Very low85 Ų85122.5 Ų122.588%0.87684%0.843SS**  trans10696.1158.100000115.9
496G24Very low26.1Very low77 Ų77123.1 Ų123.179%0.79485%0.845SS**  trans-100.1153.7160.600000110.7
497Q28.1Very low26.1Very low199 Ų199127.5 Ų127.593%0.9385%0.846SS**  trans-146138.6160.1-103.7173.619.200110
498Q25.7Very low26.4Very low198 Ų198130.7 Ų130.793%0.92585%0.85SS**  trans-81.2143.6169.4-65.6165-43.400108.9
499S25Very low26.5Very low126 Ų126133.2 Ų133.288%0.88185%0.845SS**  trans-144.1150.2155.4-167.90000109.9
500Q26.2Very low26.8Very low177 Ų177134.4 Ų134.483%0.82784%0.837SS**  trans-97.1151.9-166-64.1179.4-10.400112.6
501N24.1Very low27Very low150 Ų150135.6 Ų135.680%0.80283%0.832SS**  trans17122.4153.5-65.9-13.7000119.7
502S23.7Very low27.2Very low120 Ų120137.3 Ų137.384%0.83983%0.828SS**  -154.7124.2127.8-80.20000110.5
503Y26.9Very low27.4Very low227 Ų227141.2 Ų141.289%0.8983%0.827SS**  trans-81.8149.6166.6-93-95.8000109.6
504P28.2Very low27.6Very low115 Ų115143.4 Ų143.475%0.74782%0.824SS**  trans-120.9168.9139.731.7-21.2000112.9
505Q24.8Very low28.1Very low181 Ų181145.7 Ų145.785%0.84682%0.816SS**  trans-58.5158.1-162.2-74149.2-77.800117.7E507Q505-E507 PolarHBondContact O-N 2.96Å
506T35Very low28.6Very low140 Ų140149.7 Ų149.786%0.85981%0.812SS**  trans-35.9116.1162.249.60000115.4
507E26.4Very low28.9Very low163 Ų163155.1 Ų155.176%0.76282%0.816SS**  trans-113134153-69.5-165.9153.900110.1Q505 M509Q505-E507 PolarHBondContact O-N 2.96Å; E507-M509 PolarHBondContact O-N 3.26Å; E507-M509 VanDerWaalsContact O-N 3.08Å
508T34.2Very low28.9Very low148 Ų148155 Ų15591%0.90881%0.809SS**  trans-75.293.317943.80000110.9P510T508-P510 WeakPolarHBondContact O-CD 3.45Å
509M28.9Very low29Very low158 Ų158155 Ų15578%0.77881%0.806SS**PPolyproline II helixtrans-74121.9175.3-78.6-73.7162.300112E507E507-M509 PolarHBondContact O-N 3.26Å; E507-M509 VanDerWaalsContact O-N 3.08Å
510P30.6Very low29.2Very low112 Ų112155.6 Ų155.673%0.72780%0.804SS**PPolyproline II helixtrans-73.2148176.229.7-33.7000112T508 P512T508-P510 WeakPolarHBondContact O-CD 3.45Å; P510-P512 WeakPolarHBondContact O-CD 3.4Å
511C30.7Very low29.3Very low103 Ų103153.1 Ų153.170%0.69680%0.801SS**PPolyproline II helixtrans-77.5118.6-176.6-171.90000111.3F513C511-F513 PolarHBondContact O-N 3.17Å
512P30.3Very low29.4Very low118 Ų118150.3 Ų150.377%0.76679%0.793SS**SBendtrans-83.647.8-165.835.2-38.8000113.9P510P510-P512 WeakPolarHBondContact O-CD 3.4Å
513F29.7Very low29.8Very low180 Ų180149.4 Ų149.479%0.78979%0.792SS**  trans-14369.8172.7-96.2-80000110.7C511C511-F513 PolarHBondContact O-N 3.17Å
514D27.6Very low30.3Very low153 Ų153141.5 Ų141.582%0.81878%0.78SS**  trans-90.3105.8170.2-152.6-6.9000109.8H516D514-H516 PolarHBondContact O-N 3.21Å
515L35.9Very low30.5Very low129 Ų129142.6 Ų142.668%0.67578%0.78SS**  trans-101.368-179.6-170.977.7000109.1Y518L515-Y518 HydrophobicContact CD1-CE2 4.45Å; L515-Y518 HydrophobicContact CG-CE2 4.46Å
516H34.3Very low30.9Very low169 Ų169139.8 Ų139.878%0.78277%0.769SS**  trans-146.851.3178.7-125.7-86.1000115.2D514D514-H516 PolarHBondContact O-N 3.21Å
517Q30.2Very low30.6Very low191 Ų191142.5 Ų142.589%0.89377%0.772SS**  trans-133.480.7157.5-84.2-170.10.300111.5
518Y28.6Very low30.8Very low197 Ų197144.6 Ų144.677%0.77378%0.775SS**  trans-107.4102.5156.5-69.7-72.5000108.1L515 T520L515-Y518 HydrophobicContact CD1-CE2 4.45Å; L515-Y518 HydrophobicContact CG-CE2 4.46Å; Y518-T520 PolarHBondContact O-N 2.81Å
519K28.8Very low30.5Very low199 Ų199147.1 Ų147.187%0.86577%0.773SS**  trans-73.9115.5171.7-161.3176.8-173-178.10107.4V521K519-V521 PolarHBondContact O-N 3.16Å
520T28.9Very low30.6Very low137 Ų137145.6 Ų145.684%0.8478%0.775SS**  trans-64.8113.6176.245.20000109.8Y518Y518-T520 PolarHBondContact O-N 2.81Å
521V28.5Very low30.5Very low126 Ų126146.7 Ų146.776%0.76478%0.779SS**  trans-87.4131.2167.1-179.40000107.8K519K519-V521 PolarHBondContact O-N 3.16Å
522S25.9Very low30.5Very low91 Ų91146.3 Ų146.364%0.63678%0.778SS**  trans-72.9149.1-179.6-168.90000111G524S522-G524 PolarHBondContact O-N 3.46Å
523A31.8Very low30.8Very low100 Ų100147 Ų14783%0.82678%0.779SS**THydrogen-bonded Turntrans-74.413.3-178.800000114.5
524G36.2Very low31.1Very low61 Ų61142.1 Ų142.163%0.62977%0.768SS**THydrogen-bonded Turntrans-88.4-20.5-176.600000115.7S522S522-G524 PolarHBondContact O-N 3.46Å
525D32.4Very low31.4Very low139 Ų139142.1 Ų142.174%0.74377%0.768SS**  trans-98.414.3-165.3-60.8-41000114.7
526I34Very low31.6Very low122 Ų122143.2 Ų143.263%0.62677%0.773SS**  trans-101.597177-55.4179.3000109.8Y528I526-Y528 HydrophobicContact CG2-CD2 4.16Å; I526-Y528 HydrophobicContact CG2-CE2 3.85Å; I526-Y528 PolarHBondContact O-N 3.26Å
527Q27.9Very low31.8Very low196 Ų196141.4 Ų141.492%0.91677%0.774SS**PPolyproline II helixtrans-72.6116.8169.3-69.4-173.2100110.7
528Y31Very low32.3Very low208 Ų208137 Ų13782%0.81676%0.764SS**PPolyproline II helixtrans-85.8128.1169.2-78.5-95.3000110.8I526I526-Y528 HydrophobicContact CG2-CD2 4.16Å; I526-Y528 HydrophobicContact CG2-CE2 3.85Å; I526-Y528 PolarHBondContact O-N 3.26Å
529K28.1Very low32.6Very low200 Ų200136.9 Ų136.987%0.8777%0.77SS**PPolyproline II helixtrans-103.8118.2159.8-103.7-174.4175.5-179.10108.9
530P30.6Very low33.1Very low126 Ų126136.7 Ų136.782%0.81877%0.769SS**PPolyproline II helixtrans-75.2141.1174.630.7-33.1000110.8
531V29.9Very low33.5Very low136 Ų136137.9 Ų137.982%0.82477%0.77SS**  trans-105.7133.8167.2176.70000107.8
532S29.7Very low33.6Very low95 Ų95138.6 Ų138.666%0.66477%0.769SS**  trans-74.6144.5-175.748.60000113S534S532-S534 PolarHBondContact O-N 3.32Å; S532-S534 VanDerWaalsContact O-N 3.15Å
533V37.9Very low33.8Very low132 Ų132140.8 Ų140.880%0.878%0.783SS**SBendtrans-79.794.7176.6-176.50000109.5
534S34.9Very low33.8Very low78 Ų78142.2 Ų142.255%0.54578%0.776SS.*  trans-136.6-21.6175.9-53.50000114.6S532S532-S534 PolarHBondContact O-N 3.32Å; S532-S534 VanDerWaalsContact O-N 3.15Å
535D34.8Very low33.5Very low153 Ų153146.1 Ų146.182%0.81879%0.788SS**SBendtrans-101.918.8-169-60-32.3000115.1
536I40.1Very low33.3Very low151 Ų151145.3 Ų145.377%0.77479%0.788SS**  trans-105.740.6179.8-38.4-177.7000111.7
537T37.6Very low33Very low132 Ų132145.1 Ų145.181%0.8180%0.797SS**  trans-135.642175.354.50000114.1
538S41.4Very low33.2Very low97 Ų97140 Ų14068%0.67879%0.788SS**  trans-147.981.6160.467.40000112.6
539H33.6Very low33.1Very low196 Ų196135.4 Ų135.491%0.90779%0.786SS**  trans-164.8111.4136.6-91.7-60.1000107.7
540K40.1Very low33.2Very low195 Ų195132.3 Ų132.385%0.84879%0.785SS**  trans-71.9159.3170.7-68.5176.4177.61780109
541D37.4Very low33.1Very low161 Ų161133.8 Ų133.886%0.86178%0.784SS**  trans93.558.5176.9-51.3-17.3000116.2
542L30.7Very low32.9Very low142 Ų142136 Ų13674%0.74379%0.786SS**  trans-127.485.2162.4-156.480000111.2L544L542-L544 HydrophobicContact CD2-CD1 3.74Å; L542-L544 HydrophobicContact CD2-CD2 4.41Å; L542-L544 HydrophobicContact CD2-CG 3.86Å; L542-L544 HydrophobicContact CG-CG 4.13Å; L542-L544 PolarHBondContact O-N 3.33Å
543C30.3Very low32.9Very low137 Ų137137.2 Ų137.293%0.92679%0.788SS**  trans-73.190.5168.2-82.30000110.4
544L30.8Very low32.4Very low130 Ų130139.6 Ų139.668%0.68179%0.791SS**  trans-83.5107.7170.3-77.7168.2000110.8L542 V546L542-L544 HydrophobicContact CD2-CD1 3.74Å; L542-L544 HydrophobicContact CD2-CD2 4.41Å; L542-L544 HydrophobicContact CD2-CG 3.86Å; L542-L544 HydrophobicContact CG-CG 4.13Å; L542-L544 PolarHBondContact O-N 3.33Å; L544-V546 HydrophobicContact CB-CG2 4.26Å; L544-V546 PolarHBondContact O-N 3.45Å; L544-V546 VanDerWaalsContact O-N 3.14Å
545T29.4Very low32.2Very low142 Ų142143.6 Ų143.687%0.87180%0.801SS**  trans-74.993.6159.336.70000109.4S547T545-S547 PolarHBondContact O-N 3.44Å
546V30.1Very low31.9Very low123 Ų123144.6 Ų144.675%0.74581%0.805SS**  trans-77.7108174.91800000109.7L544L544-V546 HydrophobicContact CB-CG2 4.26Å; L544-V546 PolarHBondContact O-N 3.45Å; L544-V546 VanDerWaalsContact O-N 3.14Å
547S26.4Very low31.7Very low117 Ų117144 Ų14482%0.81880%0.803SS**  trans-94.1112.9158.751.30000109.2T545T545-S547 PolarHBondContact O-N 3.44Å
548A31.6Very low31.8Very low88 Ų88147.4 Ų147.473%0.72783%0.832SS**  trans-77.3134.5-174.400000112.2
549S29.9Very low31.3Very low112 Ų112149.9 Ų149.978%0.78384%0.84SS**  trans-156.974.4160.7-76.30000110.3
550T30.2Very low31.2Very low136 Ų136147.5 Ų147.583%0.83484%0.837SS**  trans25100151.139.40000118.5
551I27.9Very low30.7Very low157 Ų157144.8 Ų144.881%0.80584%0.836SS**  trans-91.3111.4152.4-61.7172.4000106.8V553I551-V553 HydrophobicContact CG2-CG2 4.15Å
552Q26.5Very low30.3Very low183 Ų183143.9 Ų143.986%0.85583%0.834SS**  trans-82.6115.5165.3-85.1-177.9-4600109.1
553V29.4Very low30.2Very low119 Ų119144 Ų14472%0.72184%0.84SS**  trans-91.7109.6166.6177.90000106.8I551 H555I551-V553 HydrophobicContact CG2-CG2 4.15Å; V553-H555 PolarHBondContact O-N 3.24Å
554E28.2Very low30.2Very low183 Ų183144.5 Ų144.586%0.85583%0.834SS**  trans-75.8113.9169.9-76.3-169.9146.800109.6L556E554-L556 PolarHBondContact O-N 2.82Å
555H29.1Very low30.2Very low162 Ų162145.5 Ų145.575%0.7585%0.845SS**  trans-63121.1166.9-110.6-106.6000109.6V553V553-H555 PolarHBondContact O-N 3.24Å
556L28.7Very low30.3Very low174 Ų174145.8 Ų145.891%0.91184%0.843SS**  trans-83.1109.9159.6-82.1164000108.3E554E554-L556 PolarHBondContact O-N 2.82Å
557N36Very low30.3Very low137 Ų137147.7 Ų147.773%0.73385%0.852SS**  trans-134.1105.6171.1-11722.8000109
558S39.4Very low30.6Very low204 Ų204150.5 Ų150.5100%1.42786%0.855SS**  trans168.10140.9-71.10000108.9

Retrieved 558 of 558 residues in 155.2 ms (Link to these results)