A0A087YHB3_POEFO Loading...

KIAA1549 like

AlphaFold DB , UniProt , Accession A0A087YHB3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,186 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
1M29.9Very low28.9Very low196 Ų196126.7 Ų126.797%0.96676%0.758SS**  047.50-54.1-38-17600110.5
2D29.4Very low28.6Very low122 Ų122127 Ų12765%0.65276%0.76SS**  76.696.9105-43-7.9000116.9
3D31.4Very low28.2Very low134 Ų134127.4 Ų127.472%0.71776%0.764SS**  90124.4107.1-73.37.9000122.6
4L34.4Very low28Very low132 Ų132125.1 Ų125.169%0.69176%0.757SS**  trans73.2120.8131.1-89.376.7000122.4
5T33.3Very low27.8Very low121 Ų121125 Ų12574%0.74276%0.757SS**  91.9129.8124.551.80000123.9
6A28Very low27.7Very low103 Ų103130 Ų13085%0.85177%0.766SS**  trans73.1159.9136.900000119.4
7G26.4Very low28.1Very low76 Ų76129.2 Ų129.278%0.78477%0.765SS**  trans156.9-8.3178.600000117.7
8T27Very low27.8Very low125 Ų125132.2 Ų132.277%0.76777%0.767SS**  trans16.796.1159.4-42.50000120.8
9S25.6Very low27.8Very low84 Ų84133.7 Ų133.759%0.58777%0.766SS**  trans82.7148.7133.585.60000123.3
10K26.8Very low27.7Very low198 Ų198133.5 Ų133.586%0.86176%0.762SS**  trans70.9150.4153.8-69.2163.1-175.5172.60117.3
11S25.6Very low27.7Very low103 Ų103135.1 Ų135.172%0.7276%0.763SS**  cis-171.7175.9-17.1-173.30000108.5
12V25.2Very low27.5Very low130 Ų130131.5 Ų131.579%0.78875%0.752SS**  trans71.5148.7165.4-177.20000115.7
13V24.2Very low27.3Very low132 Ų132130.7 Ų130.780%0.876%0.756SS**  cis-167160-45.5108.90000109.7
14S25.2Very low27.2Very low96 Ų96132.8 Ų132.867%0.67177%0.766SS**  trans84.1144160-157.70000122.3
15T24Very low26.7Very low123 Ų123132.4 Ų132.476%0.75577%0.774SS**  trans59.6124.5147.734.40000123.2
16F26.2Very low26.4Very low205 Ų205132.1 Ų132.190%0.89978%0.778SS**  trans-96.8151147.5-74.6-93.3000110
17P35.3Very low26.3Very low116 Ų116132.5 Ų132.575%0.75377%0.774SS**  -149.6169.9117.739-23.7000116.4
18K23.1Very low26.3Very low183 Ų183138.2 Ų138.280%0.79678%0.78SS**  trans73113.9163.9-74-169.1168.6-169.80121.1
19E27.4Very low26.3Very low162 Ų162136.9 Ų136.976%0.75778%0.776SS**  25.6139.1110.2-68.4163.2151.800118.7
20N26.4Very low26.3Very low128 Ų128138.8 Ų138.868%0.68478%0.78SS**  cis-155.2152.330.9-122.70.4000114
21E27.1Very low26.3Very low168 Ų168139.1 Ų139.179%0.78578%0.776SS**  trans54.3149.8149.1-89.8-176.6135.800121.5
22V26.1Very low26.3Very low120 Ų120140.8 Ų140.873%0.72778%0.781SS**  cis-140.5153.46.6-171.20000110.1
23S24.8Very low26.5Very low105 Ų105141.4 Ų141.473%0.73478%0.778SS**  trans134133.2133.572.90000118.9
24L28.4Very low26.7Very low178 Ų178143 Ų14393%0.93278%0.782SS**  trans56.2102.7158.5-64.4170.4000119.8
25S25.2Very low26.8Very low124 Ų124144.1 Ų144.187%0.86779%0.789SS**  trans-138.7141.3163.4640000112.2
26S26.2Very low26.9Very low116 Ų116143 Ų14381%0.81179%0.792SS**  trans-137.5154.5161.799.80000108
27S26.6Very low26.9Very low111 Ų111136.8 Ų136.878%0.77679%0.786SS**  cis-157.9144.60.438.20000109.4
28Q26.3Very low27.4Very low195 Ų195137.2 Ų137.291%0.91179%0.789SS**  trans-158.8141.7163.9-150.9170.78.100114.3
29S26.1Very low27.7Very low97 Ų97136.3 Ų136.368%0.67879%0.791SS**  trans79131.2155.9-121.50000122.7
30D25.8Very low27.7Very low125 Ų125136 Ų13667%0.66879%0.79SS**  trans94.7128.9137.8-85.1-68.7000124.2
31R26.8Very low27.6Very low205 Ų205135.7 Ų135.777%0.77479%0.788SS**  trans37.1121.9145.2-70.8167176-148.1-3.7120.6
32V26.8Very low27.6Very low137 Ų137133.4 Ų133.483%0.8379%0.786SS**  trans-100.4127.5145.7177.10000109.7
33I29.4Very low27.6Very low143 Ų143132.3 Ų132.373%0.73378%0.784SS**  trans-114137.8157.7-67.6176.2000106.1
34L27.9Very low27.7Very low167 Ų167136.1 Ų136.187%0.87479%0.79SS**  trans-75.3141.5177.4-77.9164.1000111.4
35S26.1Very low27.6Very low119 Ų119134.1 Ų134.183%0.83278%0.784SS**  trans-107.8150.2-176.8-1750000112.1
36A26.3Very low27.5Very low98 Ų98133.1 Ų133.181%0.8178%0.777SS**  trans-148.2141.7162.600000108.9
37G27.5Very low27.5Very low75 Ų75135.1 Ų135.177%0.77378%0.778SS**  trans-88.8176.1-169.300000116.2
38P46Very low27.5Very low125 Ų125135.5 Ų135.581%0.81278%0.776SS**  trans-106.9146.6-16738.4-32.2000116
39I28Very low27.6Very low165 Ų165132.1 Ų132.185%0.84677%0.769SS**  trans-155.9144.5165.7-58.3-176.5000106.9
40E27.2Very low28.1Very low156 Ų156132.9 Ų132.973%0.72977%0.771SS**  cis-169178.4-33.4-155.4171.3-100.600109
41N25.5Very low28.2Very low121 Ų121133.9 Ų133.965%0.64777%0.772SS**  trans66.297.5155.9-67.2-51.8000123.5
42T26.6Very low28.2Very low119 Ų119131.4 Ų131.473%0.7377%0.769SS**  76.4142.3109.8-51.10000123.1
43S25.4Very low28.1Very low98 Ų98130.6 Ų130.669%0.68576%0.76SS**  trans94.2110.5172.7-42.10000114.7
44Q27.6Very low28.1Very low184 Ų184129.6 Ų129.686%0.8676%0.761SS**  64.8134.369.7-62.2-175.4-0.600112.3
45V25.8Very low29.1Very low136 Ų136126.8 Ų126.882%0.82475%0.752SS**  cis-146.8163.245171.60000112.3
46S23.8Very low29Very low103 Ų103127.8 Ų127.872%0.7275%0.754SS**  trans-71.6-176.5172.6-47.70000113
47L26.5Very low29Very low158 Ų158127.2 Ų127.283%0.82775%0.748SS**  cis-159.9-166.229.9-160.348.9000106
48V26.1Very low30.6Very low119 Ų119129.5 Ų129.572%0.72175%0.75SS**  cis-154.5163.614.8-162.50000108.8
49T28.2Very low29.6Very low125 Ų125130.7 Ų130.777%0.76776%0.755SS**  trans-134139168.7-32.40000110
50P36.3Very low29.5Very low112 Ų112131.2 Ų131.273%0.72775%0.751SS**  -141.6159.5108.234.4-18.5000112.3
51Q27.4Very low29.5Very low147 Ų147131.1 Ų131.169%0.68775%0.754SS**  cis84.8100.627.1-167.2-171.6-2.100116.1
52H28.2Very low29.5Very low152 Ų152131.1 Ų131.170%0.70476%0.759SS**  177125.3115.8-109.4-65.4000115.9
53D25.2Very low29.5Very low121 Ų121129.8 Ų129.865%0.64776%0.76SS**  trans20.7122.6138.5-59.7-39.2000126.1
54T27.6Very low29.5Very low122 Ų122131 Ų13175%0.74876%0.764SS**  70.5173.5114.2-410000118.5
55P49.8Very low29.5Very low107 Ų107128.5 Ų128.570%0.69576%0.761SS**  -110.7178.3-80.741.2-28.2000114.9
56T24.8Very low29.6Very low141 Ų141126.8 Ų126.887%0.86576%0.761SS**  172.7159.5129.6-76.10000111.3
57A25.8Very low29.8Very low85 Ų85127 Ų12770%0.70276%0.763SS**  trans-112.8-150.8-176.900000112.9
58P60.3Low31.4Very low123 Ų123124.9 Ų124.980%0.79976%0.758SS**  -120.8157.2-111.637-20.4000116
59V26.4Very low32.5Very low151 Ų151124.8 Ų124.892%0.91576%0.76SS**  trans-132.3162.5174.9-176.70000111.4
60K25.7Very low32.5Very low175 Ų175129.6 Ų129.676%0.76176%0.764SS**  trans-134.8157.9-161.9165.7-170.7174.8-171.40110
61L26.1Very low32.1Very low155 Ų155134 Ų13481%0.81277%0.772SS**  trans134.9133.3163.9-74.3155000108.8
62T25.1Very low32.1Very low120 Ų120133.3 Ų133.374%0.73678%0.778SS**  cis99.7101.323.2-58.50000114.2
63A27.1Very low33.2Very low92 Ų92131.2 Ų131.276%0.7678%0.778SS**  trans179.9159157.100000110.6
64T26.5Very low33.4Very low124 Ų124131.7 Ų131.776%0.76179%0.785SS**  cis-167.2131.8-25-87.50000111
65T27.1Very low33.6Very low130 Ų130130.1 Ų130.180%0.79878%0.784SS**  trans40.9128.3149.6-53.80000124.8
66A27.8Very low32.8Very low101 Ų101131.2 Ų131.284%0.83579%0.789SS**  trans-159.8150.8136.700000111.9
67S28Very low33.1Very low108 Ų108130.1 Ų130.176%0.75578%0.783SS**  trans-173.5-179-179.1700000111.7
68P60.4Low33.7Very low112 Ų112133 Ų13373%0.72779%0.785SS**  cis-109.1-118.4-1943.1-29.4000108.9
69P48.3Very low32.3Very low117 Ų117132.9 Ų132.976%0.7678%0.782SS**  cis-103.2178.1-23.318.65.6000112.9
70R28.6Very low32.6Very low226 Ų226131.5 Ų131.585%0.85377%0.774SS**  cis102.9893.6-167.5-156176.2-158.2-0.9118.4
71K27.6Very low32.7Very low206 Ų206128.9 Ų128.990%0.89677%0.773SS**  trans-175163.6142.2-103.8171.5-172.5-176.20114.9
72T27.5Very low33Very low131 Ų131127.7 Ų127.780%0.80477%0.772SS**  trans-139.4-168.3-177510000109
73P51.8Low33.9Very low108 Ų108127.6 Ų127.670%0.70177%0.774SS**  cis-134.2-165.6-2725.3-0.2000114.7
74T28.7Very low34Very low132 Ų132129 Ų12981%0.8178%0.778SS**  trans101.1144.5139.2-5.10000123.7
75A32.5Very low34.2Very low88 Ų88128 Ų12873%0.72778%0.782SS**  trans83.8170.7159.700000120
76T32.7Very low34.3Very low130 Ų130131.3 Ų131.380%0.79879%0.785SS**  159.7143.2-65.3-75.70000111.9
77T31.9Very low34.5Very low118 Ų118130.9 Ų130.972%0.72478%0.782SS**  trans157.7110.1140.9-71.80000117.4
78I37.5Very low34.5Very low147 Ų147132.3 Ų132.375%0.75479%0.786SS**  trans62.8146.1134.2-62-178.8000120.2
79T31.8Very low32.9Very low119 Ų119133.1 Ų133.173%0.7379%0.789SS**  cis-144.1177.829.5-90000112.1
80T31.8Very low32Very low122 Ų122132.7 Ų132.775%0.74879%0.789SS**  cis-127.7-114-5.1-34.70000112.1
81T27.3Very low32Very low121 Ų121126.3 Ų126.374%0.74278%0.779SS**  cis-161.4161.3-1.4-35.50000110.6
82T32.4Very low31.9Very low130 Ų130122.4 Ų122.480%0.79877%0.772SS**  trans-148176.5-177.551.60000112.1
83P44.7Very low31.9Very low118 Ų118121.8 Ų121.877%0.76677%0.768SS**  cis-125.2153.3341.2-25.1000115
84S29.6Very low30.8Very low122 Ų122122.4 Ų122.485%0.85377%0.771SS**  85.3113.464.3-164.10000117.9
85A30.8Very low30.7Very low101 Ų101121.5 Ų121.584%0.83577%0.765SS**  trans-172.6150.3142.300000114.9
86K29.8Very low30.5Very low201 Ų201122.9 Ų122.987%0.87476%0.764SS**  trans-64.4149.3-176.8-64.3163.5-179.6175.60114
87A31.7Very low30.3Very low92 Ų92124 Ų12476%0.7677%0.765SS**  cis79.6141.543.500000114.5
88T28.4Very low30.2Very low137 Ų137127 Ų12784%0.8477%0.77SS**  cis-120.3-113.826-43.80000115.4
89T25.8Very low30.1Very low129 Ų129125.4 Ų125.479%0.79177%0.77SS**  cis-158.817811.2-520000110.9
90S29.4Very low30.1Very low109 Ų109128.5 Ų128.576%0.76277%0.773SS**  trans-100.3177.8-175.562.40000114.2
91S27.9Very low30.2Very low92 Ų92128.8 Ų128.864%0.64378%0.777SS**  cis-168.5153.527.752.40000115.6
92T26.6Very low30.3Very low124 Ų124128.8 Ų128.876%0.76178%0.776SS**  trans59.3153151.540.20000121.1
93T28Very low30.2Very low117 Ų117128.7 Ų128.772%0.71878%0.776SS**  cis-153.1151.34.1-0.60000111.9
94T27Very low29.3Very low122 Ų122134.8 Ų134.875%0.74878%0.784SS**  trans32.7139.8136.6-45.50000121.4
95T28.2Very low29.2Very low112 Ų112139.6 Ų139.669%0.68778%0.783SS**  cis165.1150.5-20.1-82.30000107
96T27.6Very low29.1Very low117 Ų117140.1 Ų140.172%0.71878%0.776SS**  trans61.3105.2164.346.30000123.8
97L28.2Very low29Very low153 Ų153136.2 Ų136.280%0.80177%0.769SS**  44.8121.7110.2-65.8169.7000123.6
98Q30.8Very low28.7Very low181 Ų181137.2 Ų137.285%0.84677%0.766SS**  trans67.8164.5146.6-78.2-163.516.500117.9
99P35Very low28.6Very low114 Ų114136.6 Ų136.674%0.7476%0.763SS**  cis-140.3-162.222.145.2-25.3000117.5
100K30.5Very low28.7Very low185 Ų185137 Ų13780%0.80476%0.758SS**  trans-44.6160.5166.1-79.5178.4172.5175.40115.3
101P34.8Very low28.6Very low127 Ų127141.1 Ų141.183%0.82576%0.757SS**  trans-116.4166.9140.637.2-29.4000114.2
102V28.8Very low28.6Very low121 Ų121141.3 Ų141.373%0.73376%0.755SS**  trans-141.3140.6177.2169.70000110.4
103T30.4Very low28.8Very low129 Ų129144.1 Ų144.179%0.79175%0.752SS**  trans8127.7161.4-51.20000121.5
104R25.6Very low28.8Very low246 Ų246143.8 Ų143.893%0.92875%0.751SS**  trans-149.9175.3141.3-157.2153.3172.5156.5-2.9112.6
105R28.1Very low28.9Very low222 Ų222143 Ų14384%0.83875%0.75SS**  trans-114.2179.7-161.5-69.3173.8159166.5-7.5114.7
106T28.9Very low29Very low113 Ų113146.8 Ų146.869%0.69375%0.752SS**  trans106.194.6133.120.40000122.2
107T27.4Very low29Very low118 Ų118151 Ų15172%0.72475%0.754SS**  74137.9120.450.50000126.5
108T25.8Very low29Very low114 Ų114149 Ų14970%0.69975%0.749SS**  trans91.5117.6135.836.60000125.1
109T25.5Very low28.9Very low124 Ų124149.9 Ų149.976%0.76175%0.75SS**  trans71.6156.313954.90000120
110I27.7Very low28.5Very low137 Ų137150.3 Ų150.370%0.70375%0.751SS**  cis-158.3153.76.9-132.8164.9000114.3
111R28.3Very low28.5Very low196 Ų196146.5 Ų146.574%0.7475%0.747SS**  trans61.3151.5159.5-70.3170.686.9161.34.4118.4
112T26.5Very low28.9Very low96 Ų96146.1 Ų146.159%0.58975%0.745SS**  cis-155.2-166.17.4-30000109.6
113Y31.1Very low28.9Very low182 Ų182147.5 Ų147.571%0.71475%0.748SS**  cis-161.2170.35.4-123.4-31.9000113.6
114T29.3Very low28.7Very low111 Ų111151 Ų15168%0.68176%0.755SS**  trans45.5123.3151.951.70000126.2
115S28.6Very low28.7Very low105 Ų105151 Ų15173%0.73476%0.756SS**  trans77.9144.2134.9-77.70000121.1
116R29.8Very low28.5Very low191 Ų191144.9 Ų144.972%0.72175%0.752SS**  cis-167.2136.6-5.9167.4-177.7-78.6-164.2-3.7112.9
117R28.7Very low28.3Very low206 Ų206147.1 Ų147.178%0.77776%0.76SS**  trans62.9123.7162.4-69.7170.1-175.5175.9-1.5118.6
118T27.8Very low29.1Very low111 Ų111147.1 Ų147.168%0.68176%0.762SS**  57.9133.878.141.90000115.9
119F27.8Very low29.8Very low199 Ų199146.3 Ų146.387%0.87376%0.759SS**  cis-133.6175.549.6-95.3-97.7000117.2
120T28.1Very low29.9Very low124 Ų124152.5 Ų152.576%0.76177%0.768SS**  trans-152177.1-17654.20000113.8
121S28.7Very low29.8Very low104 Ų104149.2 Ų149.273%0.72777%0.768SS**  trans102.2158.3150.5-135.50000117.4
122P44.3Very low29.7Very low120 Ų120146.4 Ų146.478%0.77977%0.772SS**  cis-128.5178.7-4.220.64.9000117.2
123N29.2Very low29.8Very low150 Ų150147.4 Ų147.480%0.80278%0.779SS**  trans-70.3169.5178-50.2-78.9000116.1
124Q26.3Very low29.5Very low201 Ų201143.5 Ų143.594%0.93978%0.784SS**  trans-131.9171.7139.2-78-152.36.600112
125R24.9Very low29.5Very low247 Ų247144.4 Ų144.493%0.93279%0.789SS**  trans-150.7122.6-150.1175.6-160.9-157.4179.78.2113.1
126A24.3Very low29.5Very low93 Ų93148.9 Ų148.977%0.76980%0.796SS**  trans-161.9140.6157.500000113.1
127N24.3Very low29.5Very low161 Ų161146.5 Ų146.586%0.86180%0.802SS**  trans-134.5-176.7162.9-66.7-39.8000105.6
128P45Very low29.3Very low117 Ų117141.1 Ų141.176%0.7680%0.796SS**  cis-131.3-137.1-2.844-23.2000109.7
129P38.7Very low29.7Very low98 Ų98141.3 Ų141.364%0.63680%0.799SS**  cis-133.5161.2-27.636.5-19.5000116.6
130R28.2Very low30Very low253 Ų253140.9 Ų140.996%0.95580%0.797SS**  trans62150.1156.5-63.9162.5-173.1-168.41.6116.9
131G26.5Very low29.9Very low68 Ų68141.4 Ų141.470%0.70180%0.801SS**  cis175.5154.4-4.100000106.4
132V26.3Very low30.1Very low137 Ų137143 Ų14383%0.8381%0.807SS**  cis-162.8147.244158.40000109.8
133T28.4Very low29.6Very low117 Ų117143.4 Ų143.472%0.71881%0.807SS**  trans45.1114.7162-52.10000120.8V135T133-V135 HydrophobicContact CG2-CG2 3.92Å
134A24.1Very low29.9Very low101 Ų101142.2 Ų142.284%0.83581%0.805SS**  trans-118.5148.5148.300000109.2
135V28.5Very low30.3Very low129 Ų129139.9 Ų139.978%0.78279%0.794SS**  trans-117.7139.2-179.8177.80000110.2T133T133-V135 HydrophobicContact CG2-CG2 3.92Å
136F30.6Very low30.9Very low199 Ų199131.8 Ų131.887%0.87378%0.78SS**  trans-71.6140.3179.9-84.1-109.2000113.2
137V28.3Very low31.9Very low141 Ų141131.5 Ų131.586%0.85577%0.771SS**  trans-138.5148.5147.4-175.30000109.4
138S25.2Very low32.9Very low93 Ų93131.2 Ų131.265%0.6576%0.764SS**  trans-77.4151.9-174.1-169.20000114F140S138-F140 PolarHBondContact O-N 3.27Å
139P36.3Very low33.4Very low115 Ų115129 Ų12975%0.74775%0.75SS**  trans-85.6109.2-178.232.8-34.7000114.1
140F32.8Very low34.7Very low190 Ų190129.1 Ų129.183%0.83374%0.741SS**  trans-150103.5159.4-83.5-72000111.8S138S138-F140 PolarHBondContact O-N 3.27Å
141T27.6Very low37.1Very low136 Ų136117.4 Ų117.483%0.83470%0.699SS**  trans-178.4103.8139.7320000108.7T143T141-T143 PolarHBondContact O-N 3.1Å
142T32Very low39.7Very low138 Ų138120 Ų12085%0.84770%0.696SS**  trans-74.4102.716245.30000108.4T144T142-T144 PolarHBondContact O-N 3.25Å
143T34.1Very low42.3Very low128 Ų128116.4 Ų116.479%0.78567%0.672SS**  trans-78.7104.1165.9-56.10000107.1T141 E145T141-T143 PolarHBondContact O-N 3.1Å; T143-E145 PolarHBondContact O-N 2.8Å; T143-E145 VanDerWaalsContact O-N 3.08Å
144T35Very low44.9Very low125 Ų125113.8 Ų113.877%0.76766%0.656SS**  trans-65.8108.1172.5-53.30000108.3T142 A146T142-T144 PolarHBondContact O-N 3.25Å; T144-A146 PolarHBondContact O-N 3.26Å
145E35.6Very low47.8Very low151 Ų151112.9 Ų112.971%0.70663%0.634SS**PPolyproline II helixtrans-58.9125.5168.6-169.5175.3163.600108.1T143T143-E145 PolarHBondContact O-N 2.8Å; T143-E145 VanDerWaalsContact O-N 3.08Å
146A38.1Very low50.4Low77 Ų77111.5 Ų111.564%0.63662%0.615SS**PPolyproline II helixtrans-65.3138.117700000108.9T144 Q148T144-A146 PolarHBondContact O-N 3.26Å; A146-Q148 PolarHBondContact O-N 3Å
147P43.5Very low53Low88 Ų88102.5 Ų102.557%0.57158%0.576SS**PPolyproline II helixtrans-55.8132.2179.223.6-33.4000109.7
148Q46.3Very low56Low155 Ų15597.6 Ų97.672%0.72454%0.542SS*.PPolyproline II helixtrans-59.3131.1-175.8-66.1-174.8-0.900109.6A146 Q150A146-Q148 PolarHBondContact O-N 3Å; Q148-Q150 PolarHBondContact O-N 3.29Å
149P56.3Low59.2Low70 Ų7093.2 Ų93.246%0.45551%0.511SS..PPolyproline II helixtrans-61.1130.1-176.224.6-33.5000109.7C151 I153 V222P149-C151 PolarHBondContact O-N 2.88Å; P149-I153 HydrophobicContact CB-CD1 4.27Å; P149-I153 HydrophobicContact CG-CD1 3.99Å; P149-I153 HydrophobicContact CG-CG1 4.48Å; P149-V222 HydrophobicContact CB-CG2 4.27Å
150Q65.2Low61.8Low100 Ų10091 Ų9147%0.46749%0.49SS..SBendtrans-71.524-176-55.3-179.92000113.7Q148Q148-Q150 PolarHBondContact O-N 3.29Å
151C77.9Confident64.5Low8 Ų882 Ų825%0.05445%0.45CS..SBendtrans-153.4135.3-174.9-1590000110.2P149 I153 C287 Q291P149-C151 PolarHBondContact O-N 2.88Å; C151-I153 PolarHBondContact O-N 3.35Å; C151-C287 HydrophobicContact CB-CB 3.71Å; C151-C287 WeakPolarHBondContact CB-SG 3.03Å; C151-C287 WeakPolarHBondContact SG-CB 3.29Å; C151-C287 PolarHBondContact SG-O 3.44Å; C151-C287 CovalentContact SG-SG 2.02Å; C151-C287 PolarHBondContact SG-SG 3.14Å; C151-Q291 PolarHBondContact SG-NE2 2.93Å; C151-Q291 VanDerWaalsContact SG-NE2 3.39Å; C151-Q291 PolarHBondContact SG-OE1 2.82Å; C151-Q291 VanDerWaalsContact SG-OE1 3.37Å
152N81.6Confident67.5Low122 Ų12276.1 Ų76.165%0.65242%0.415SS*.  trans-70.8101.8179.4-73.5-30000110.6T154 L157 Q291N152-T154 PolarHBondContact O-N 3.41Å; N152-L157 WeakPolarHBondContact O-CD1 3.3Å; N152-Q291 PolarHBondContact O-NE2 2.79Å
153I81.6Confident70.2Confident62 Ų6269.6 Ų69.632%0.31837%0.374SS..  trans-67.9120176.8-55.3177.5000108.8P149 C151 V222P149-I153 HydrophobicContact CB-CD1 4.27Å; P149-I153 HydrophobicContact CG-CD1 3.99Å; P149-I153 HydrophobicContact CG-CG1 4.48Å; C151-I153 PolarHBondContact O-N 3.35Å; I153-V222 HydrophobicContact CD1-CG2 4.44Å
154T83.4Confident72.7Confident62 Ų6264.1 Ų64.138%0.3834%0.341SS..  trans-136.2166.4178.462.80000109.3N152 R156 L157N152-T154 PolarHBondContact O-N 3.41Å; T154-R156 PolarHBondContact O-N 3.15Å; T154-L157 WeakPolarHBondContact O-CB 3.32Å; T154-L157 PolarHBondContact O-N 2.9Å
155E84.1Confident75.1Confident81 Ų8158.4 Ų58.438%0.37931%0.306SS..G310 helixtrans-54.7-17175.1-55.7-177.7169.100114.8L157 W158 R262E155-L157 PolarHBondContact O-N 3.35Å; E155-W158 HydrophobicContact CB-CD2 4.29Å; E155-W158 HydrophobicContact CB-CE3 4.2Å; E155-W158 HydrophobicContact CB-CZ3 4.49Å; E155-W158 HydrophobicContact CG-CD2 4.44Å; E155-W158 HydrophobicContact CG-CE3 4.14Å; E155-W158 HydrophobicContact CG-CH2 4.03Å; E155-W158 HydrophobicContact CG-CZ2 4.34Å; E155-W158 HydrophobicContact CG-CZ3 3.93Å; E155-W158 PolarHBondContact O-N 2.85Å; E155-R262 IonicContact OE2-CZ 2.78Å; E155-R262 IonicContact OE2-NE 3.84Å; E155-R262 PolarHBondContact OE2-NE 3.06Å; E155-R262 IonicContact OE2-NH2 2.68Å; E155-R262 PolarHBondContact OE2-NH2 2.78Å
156R82Confident76.9Confident101 Ų10159.3 Ų59.338%0.38130%0.304SS..G310 helixtrans-67.5-26.3173.5-59.1-173.5-171.1-1794.6112.2T154 W158 P225 E294T154-R156 PolarHBondContact O-N 3.15Å; R156-W158 VanDerWaalsContact C-N 3.34Å; R156-P225 VanDerWaalsContact O-CG 3.25Å; R156-P225 WeakPolarHBondContact O-CG 3.48Å; R156-E294 IonicContact NH1-OE1 3.82Å
157L87.1Confident78.4Confident9 Ų957.2 Ų57.25%0.04728%0.283CS..G310 helixtrans-901.6179.4-71.1150.1000112.6N152 T154 E155 C287N152-L157 WeakPolarHBondContact O-CD1 3.3Å; T154-L157 WeakPolarHBondContact O-CB 3.32Å; T154-L157 PolarHBondContact O-N 2.9Å; E155-L157 PolarHBondContact O-N 3.35Å; L157-C287 WeakPolarHBondContact CD1-SG 3.32Å; L157-C287 HydrophobicContact CD2-CB 4.19Å; L157-C287 WeakPolarHBondContact CD2-SG 3.38Å
158W90.5Very high79.2Confident38 Ų3864 Ų6414%0.14430%0.298CS..  trans-84.9142.4179.6-65.2-1.4000112.1E155 R156 E202 A213 W261E155-W158 HydrophobicContact CB-CD2 4.29Å; E155-W158 HydrophobicContact CB-CE3 4.2Å; E155-W158 HydrophobicContact CB-CZ3 4.49Å; E155-W158 HydrophobicContact CG-CD2 4.44Å; E155-W158 HydrophobicContact CG-CE3 4.14Å; E155-W158 HydrophobicContact CG-CH2 4.03Å; E155-W158 HydrophobicContact CG-CZ2 4.34Å; E155-W158 HydrophobicContact CG-CZ3 3.93Å; E155-W158 PolarHBondContact O-N 2.85Å; R156-W158 VanDerWaalsContact C-N 3.34Å; W158-E202 HydrophobicContact CD2-CG 4.24Å; W158-E202 HydrophobicContact CH2-CB 4.35Å; W158-E202 HydrophobicContact CZ2-CB 4.08Å; W158-E202 HydrophobicContact CZ2-CG 3.83Å; W158-E202 PolarHBondContact NE1-OE1 2.98Å; W158-A213 HydrophobicContact CE3-CB 4.37Å; W158-W261 HydrophobicContact CB-CB 3.65Å; W158-W261 HydrophobicContact CB-CG 3.91Å; W158-W261 AromaticContact CE3-CD1 3.81Å; W158-W261 HydrophobicContact CE3-CD2 4.18Å; W158-W261 AromaticContact CE3-CE2 3.87Å; W158-W261 HydrophobicContact CE3-CG 4.16Å; W158-W261 HydrophobicContact CE3-CZ2 4.46Å; W158-W261 AromaticContact CE3-NE1 3.62Å; W158-W261 HydrophobicContact CZ3-CZ2 4.49Å; W158-W261 WeakPolarHBondContact O-CB 3.38Å; W158-W261 PolarHBondContact O-N 2.86Å; W158-W261 VanDerWaalsContact O-N 3.07Å
159V91.5Very high79.8Confident1 Ų165.6 Ų65.61%0.00630%0.297CS..EExtended strand (participates in β ladder)trans-114.7139.6179.11770000108.6A213 Y214 P225 V228 V258V159-A213 WeakPolarHBondContact O-CA 3.38Å; V159-Y214 HydrophobicContact CB-CE1 4.34Å; V159-Y214 HydrophobicContact CB-CE2 4.12Å; V159-Y214 HydrophobicContact CG1-CE1 4.07Å; V159-Y214 HydrophobicContact CG1-CE2 4.15Å; V159-Y214 WeakPolarHBondContact CG1-OH 3.43Å; V159-Y214 PolarHBondContact N-O 2.93Å; V159-Y214 PolarHBondContact O-N 3.43Å; V159-P225 HydrophobicContact CG2-CB 3.91Å; V159-P225 HydrophobicContact CG2-CG 4.44Å; V159-V228 HydrophobicContact CB-CG1 4.48Å; V159-V228 HydrophobicContact CG1-CG1 4.18Å; V159-V228 HydrophobicContact CG2-CB 4.09Å; V159-V228 HydrophobicContact CG2-CG1 3.92Å; V159-V258 HydrophobicContact CG1-CG2 3.36Å
160K91.1Very high80Confident69 Ų6968.3 Ų68.330%0.331%0.308SS..EExtended strand (participates in β ladder)trans-106.9122.5-179.7178.5-178.9176-179.70110.1V162 V212 V258 A259 W261K160-V162 HydrophobicContact CG-CG2 4.47Å; K160-V212 WeakPolarHBondContact CA-O 3.28Å; K160-V258 CarbonylContact O-C 3.46Å; K160-V258 WeakPolarHBondContact O-CA 3.41Å; K160-A259 HydrophobicContact CB-CB 4.47Å; K160-A259 PolarHBondContact N-O 3.08Å; K160-A259 PolarHBondContact O-N 3.04Å; K160-W261 HydrophobicContact CB-CE3 4.3Å
161T90.4Very high80Confident0 Ų073.2 Ų73.20%032%0.322CS..EExtended strand (participates in β ladder)trans-122.6139167.4-67.10000109V163 V212 Y214 L254 P257T161-V163 HydrophobicContact CG2-CG2 4.08Å; T161-V212 PolarHBondContact N-O 2.82Å; T161-V212 PolarHBondContact O-N 3.23Å; T161-Y214 WeakPolarHBondContact OG1-CE1 3.25Å; T161-Y214 PolarHBondContact OG1-OH 3.28Å; T161-L254 HydrophobicContact CG2-CD1 3.56Å; T161-L254 HydrophobicContact CG2-CG 4.36Å; T161-P257 WeakPolarHBondContact CB-O 3.37Å; T161-P257 VanDerWaalsContact CG2-O 3.26Å; T161-P257 WeakPolarHBondContact CG2-O 3.46Å; T161-P257 PolarHBondContact OG1-O 2.85Å
162V89.7Confident79.8Confident14 Ų1473.3 Ų73.39%0.08532%0.322CS..EExtended strand (participates in β ladder)trans-113.3113.6178.1-172.60000109K160 N209 M210 T211 L254 P255 L256K160-V162 HydrophobicContact CG-CG2 4.47Å; V162-N209 HydrophobicContact CG1-CB 4.07Å; V162-M210 WeakPolarHBondContact CA-O 3.27Å; V162-T211 HydrophobicContact CG1-CG2 4.37Å; V162-T211 HydrophobicContact CG2-CG2 3.96Å; V162-L254 CarbonylContact O-C 3.59Å; V162-P255 HydrophobicContact CG1-CB 4.4Å; V162-P255 VanDerWaalsContact O-CD 3.23Å; V162-P255 WeakPolarHBondContact O-CD 3.47Å; V162-L256 HydrophobicContact CB-CB 3.74Å; V162-L256 HydrophobicContact CG2-CB 3.74Å; V162-L256 HydrophobicContact CG2-CD1 4.26Å; V162-L256 PolarHBondContact N-O 3.1Å; V162-L256 PolarHBondContact O-N 2.95Å
163V89.1Confident79.7Confident0 Ų071.5 Ų71.50%031%0.312CS..EExtended strand (participates in β ladder)trans-106.6127.6-179.3-164.10000108.4T161 I165 L180 M210 V212 V251 L254T161-V163 HydrophobicContact CG2-CG2 4.08Å; V163-I165 HydrophobicContact CB-CD1 4.36Å; V163-I165 HydrophobicContact CB-CG1 4.2Å; V163-I165 HydrophobicContact CG1-CD1 4.07Å; V163-I165 HydrophobicContact CG1-CG1 3.76Å; V163-L180 HydrophobicContact CG2-CD1 4.28Å; V163-M210 PolarHBondContact N-O 3.3Å; V163-M210 PolarHBondContact O-N 3.05Å; V163-V212 HydrophobicContact CG2-CG2 4Å; V163-V251 HydrophobicContact CG1-CB 4.29Å; V163-V251 HydrophobicContact CG1-CG1 3.64Å; V163-V251 HydrophobicContact CG1-CG2 3.71Å; V163-L254 HydrophobicContact CB-CD1 4.17Å; V163-L254 HydrophobicContact CG1-CD1 4.22Å; V163-L254 HydrophobicContact CG2-CD1 3.72Å
164S86.7Confident79.7Confident13 Ų1373.1 Ų73.19%0.09133%0.329CS..EExtended strand (participates in β ladder)trans-91.4126.316968.50000109.1N209 T252 A253S164-N209 VanDerWaalsContact CB-OD1 3.27Å; S164-N209 WeakPolarHBondContact CB-OD1 3.24Å; S164-T252 PolarHBondContact O-N 3.22Å; S164-T252 PolarHBondContact O-OG1 3.41Å; S164-T252 VanDerWaalsContact O-OG1 3.07Å; S164-T252 PolarHBondContact OG-OG1 3.48Å; S164-A253 PolarHBondContact N-O 2.98Å; S164-A253 WeakPolarHBondContact OG-CA 3.27Å; S164-A253 WeakPolarHBondContact OG-CB 3.39Å; S164-A253 PolarHBondContact OG-N 2.98Å; S164-A253 PolarHBondContact OG-O 2.67Å
165I84.7Confident79.7Confident5 Ų575.7 Ų75.73%0.02634%0.339CS..EExtended strand (participates in β ladder)trans-127.6127.7-173.5-47.6-173.8000109.5V163 V167 L172 P208 M210 L248 M250 V251V163-I165 HydrophobicContact CB-CD1 4.36Å; V163-I165 HydrophobicContact CB-CG1 4.2Å; V163-I165 HydrophobicContact CG1-CD1 4.07Å; V163-I165 HydrophobicContact CG1-CG1 3.76Å; I165-V167 HydrophobicContact CB-CG2 3.94Å; I165-V167 HydrophobicContact CG2-CG2 3.45Å; I165-V167 VanDerWaalsContact CG2-CG2 3.45Å; I165-V167 PolarHBondContact O-N 3.31Å; I165-V167 VanDerWaalsContact O-N 3.12Å; I165-L172 HydrophobicContact CD1-CD1 4.3Å; I165-L172 HydrophobicContact CD1-CD2 4.07Å; I165-P208 PolarHBondContact N-O 2.97Å; I165-M210 HydrophobicContact CB-SD 4.43Å; I165-M210 HydrophobicContact CD1-SD 3.88Å; I165-M210 HydrophobicContact CG1-SD 4.32Å; I165-L248 HydrophobicContact CD1-CD2 3.88Å; I165-M250 WeakPolarHBondContact CA-O 3.33Å; I165-M250 HydrophobicContact CG2-CB 3.82Å; I165-M250 HydrophobicContact CG2-CG 3.51Å; I165-M250 WeakPolarHBondContact CG2-O 3.42Å; I165-M250 HydrophobicContact CG2-SD 3.7Å; I165-V251 HydrophobicContact CD1-CG2 4.48Å; I165-V251 HydrophobicContact CG1-CG2 4.32Å
166Y75.1Confident79.6Confident170 Ų17073.4 Ų73.467%0.66733%0.329SS*.  trans-81.988.4175.1-172.9-102.1000110.1M250Y166-M250 PolarHBondContact N-O 2.81Å
167V69.1Low79.7Confident34 Ų3474.2 Ų74.221%0.20633%0.332CS..  trans-112.7130.2177.8-161.20000109.4I165 R169 M250I165-V167 HydrophobicContact CB-CG2 3.94Å; I165-V167 HydrophobicContact CG2-CG2 3.45Å; I165-V167 VanDerWaalsContact CG2-CG2 3.45Å; I165-V167 PolarHBondContact O-N 3.31Å; I165-V167 VanDerWaalsContact O-N 3.12Å; V167-R169 WeakPolarHBondContact CB-O 3.45Å; V167-R169 HydrophobicContact CG1-CB 4.5Å; V167-R169 WeakPolarHBondContact CG1-O 3.44Å; V167-R169 PolarHBondContact O-N 2.97Å; V167-M250 HydrophobicContact CG2-SD 4.17Å
168R59.5Low79.6Confident230 Ų23078.6 Ų78.687%0.86835%0.352SS*.SBendtrans-69.65174.2-68.5-175.9176177.9-1.5114.1
169R60.2Low79.5Confident188 Ų18878.8 Ų78.871%0.70936%0.356SS*.SBendtrans-145.5136.9-179.7-67.5179.5175.3165.5-2.9107.8V167 R171V167-R169 WeakPolarHBondContact CB-O 3.45Å; V167-R169 HydrophobicContact CG1-CB 4.5Å; V167-R169 WeakPolarHBondContact CG1-O 3.44Å; V167-R169 PolarHBondContact O-N 2.97Å; R169-R171 PolarHBondContact O-N 3.24Å
170N59.6Low79.4Confident128 Ų12878.8 Ų78.868%0.68436%0.356SS*.SBendtrans-74.726.6-170.7-66.61.3000115.2
171R66.1Low79.3Confident203 Ų20379.8 Ų79.877%0.76636%0.358SS*.SBendtrans-146.8139.5-179.3-64.9-174.1177.2-179.3-1110.8R169R169-R171 PolarHBondContact O-N 3.24Å
172L72.6Confident79.3Confident9 Ų985.5 Ų85.55%0.04738%0.379CS..  trans-74.8125.4167-80.4158.8000110.5I165 Q176 R177 L180 V204 M210I165-L172 HydrophobicContact CD1-CD1 4.3Å; I165-L172 HydrophobicContact CD1-CD2 4.07Å; L172-Q176 HydrophobicContact CB-CB 4.45Å; L172-Q176 HydrophobicContact CD2-CB 3.51Å; L172-Q176 HydrophobicContact CD2-CG 4.49Å; L172-R177 HydrophobicContact CB-CG 3.82Å; L172-R177 PolarHBondContact O-NE 2.7Å; L172-L180 HydrophobicContact CD1-CD2 4Å; L172-V204 HydrophobicContact CD1-CG1 3.85Å; L172-M210 HydrophobicContact CD1-CE 4.23Å; L172-M210 HydrophobicContact CD1-CG 4.49Å; L172-M210 HydrophobicContact CD1-SD 3.42Å; L172-M210 WeakPolarHBondContact CD1-SD 3.48Å; L172-M210 HydrophobicContact CD2-SD 4.36Å; L172-M210 HydrophobicContact CG-CE 3.89Å; L172-M210 HydrophobicContact CG-SD 3.52Å; L172-M210 VanDerWaalsContact CG-SD 3.52Å
173D79.3Confident79.3Confident84 Ų8484.8 Ų84.845%0.44938%0.375SS..  trans-64.1157.8169.3-64.6-46.6000111.1I175 Q176 R177D173-I175 VanDerWaalsContact C-N 3.29Å; D173-I175 PolarHBondContact O-N 2.8Å; D173-Q176 HydrophobicContact CB-CG 4.17Å; D173-Q176 WeakPolarHBondContact O-CA 3.21Å; D173-Q176 WeakPolarHBondContact O-CB 3.4Å; D173-Q176 PolarHBondContact O-N 3.48Å; D173-Q176 PolarHBondContact OD2-NE2 2.81Å; D173-R177 PolarHBondContact O-N 3.46Å
174S82.1Confident79.5Confident97 Ų9784.9 Ų84.968%0.67838%0.376SS*.Hα-helixtrans-54.5-42.5-179.1530000113.1Q176 R177 Q178S174-Q176 VanDerWaalsContact C-N 3.35Å; S174-Q176 PolarHBondContact O-N 3.29Å; S174-R177 PolarHBondContact O-N 3.3Å; S174-Q178 PolarHBondContact O-N 3.32Å
175I83.3Confident79.7Confident116 Ų11684.7 Ų84.760%0.59537%0.374SS*.Hα-helixtrans-61.6-42.7175.6-57.8172.1000110.8D173 Q178 N179D173-I175 VanDerWaalsContact C-N 3.29Å; D173-I175 PolarHBondContact O-N 2.8Å; I175-Q178 PolarHBondContact O-N 3.46Å; I175-N179 PolarHBondContact O-N 2.83Å
176Q82.6Confident80.1Confident32 Ų3286.1 Ų86.115%0.1538%0.381CS..Hα-helixtrans-68.4-36.6179.5-62.1161.84.200111.3L172 D173 S174 N179 L180 L248L172-Q176 HydrophobicContact CB-CB 4.45Å; L172-Q176 HydrophobicContact CD2-CB 3.51Å; L172-Q176 HydrophobicContact CD2-CG 4.49Å; D173-Q176 HydrophobicContact CB-CG 4.17Å; D173-Q176 WeakPolarHBondContact O-CA 3.21Å; D173-Q176 WeakPolarHBondContact O-CB 3.4Å; D173-Q176 PolarHBondContact O-N 3.48Å; D173-Q176 PolarHBondContact OD2-NE2 2.81Å; S174-Q176 VanDerWaalsContact C-N 3.35Å; S174-Q176 PolarHBondContact O-N 3.29Å; Q176-N179 PolarHBondContact O-N 2.81Å; Q176-L180 VanDerWaalsContact O-CB 3.32Å; Q176-L180 WeakPolarHBondContact O-CB 3.27Å; Q176-L180 PolarHBondContact O-N 3.46Å; Q176-L248 HydrophobicContact CB-CD1 4.16Å
177R82.6Confident80.9Confident119 Ų11978 Ų7845%0.44935%0.349SS..Hα-helixtrans-63.1-39.6170.8-63.6-177-174.2-143.1-1.9112.1L172 D173 S174 L180 R181L172-R177 HydrophobicContact CB-CG 3.82Å; L172-R177 PolarHBondContact O-NE 2.7Å; D173-R177 PolarHBondContact O-N 3.46Å; S174-R177 PolarHBondContact O-N 3.3Å; R177-L180 PolarHBondContact O-N 2.88Å; R177-R181 PolarHBondContact O-N 3.48Å
178Q86.2Confident82Confident101 Ų10176.5 Ų76.547%0.47234%0.339SS..Hα-helixtrans-66.4-41.3175.8-164.1-17521.300111.5S174 I175 R181 R182S174-Q178 PolarHBondContact O-N 3.32Å; I175-Q178 PolarHBondContact O-N 3.46Å; Q178-R181 PolarHBondContact O-N 3.38Å; Q178-R182 WeakPolarHBondContact O-CG 3.41Å; Q178-R182 PolarHBondContact O-N 3.37Å
179N88.3Confident83.7Confident42 Ų4270.2 Ų70.223%0.22532%0.316CS..Hα-helixtrans-67-38.7176-77.82.4000112.5I175 Q176 R182 G183 Y247 L248I175-N179 PolarHBondContact O-N 2.83Å; Q176-N179 PolarHBondContact O-N 2.81Å; N179-R182 PolarHBondContact O-N 3.29Å; N179-G183 PolarHBondContact O-N 2.87Å; N179-Y247 WeakPolarHBondContact CB-O 3.39Å; N179-Y247 PolarHBondContact ND2-O 3.47Å; N179-Y247 WeakPolarHBondContact O-CB 3.23Å; N179-L248 HydrophobicContact CB-CD1 3.76Å
180L88.3Confident85.2Confident1 Ų165.5 Ų65.51%0.00530%0.3CS..Hα-helixtrans-57.2-47.4170.1175.563.5000111.4V163 L172 Q176 R177 R182 G183 L184 V204 V212 L244 L248V163-L180 HydrophobicContact CG2-CD1 4.28Å; L172-L180 HydrophobicContact CD1-CD2 4Å; Q176-L180 VanDerWaalsContact O-CB 3.32Å; Q176-L180 WeakPolarHBondContact O-CB 3.27Å; Q176-L180 PolarHBondContact O-N 3.46Å; R177-L180 PolarHBondContact O-N 2.88Å; L180-R182 VanDerWaalsContact C-N 3.31Å; L180-R182 PolarHBondContact O-N 2.87Å; L180-G183 PolarHBondContact O-N 3.33Å; L180-L184 HydrophobicContact CD1-CD1 4.17Å; L180-L184 HydrophobicContact CD1-CG 4.32Å; L180-L184 HydrophobicContact CG-CD1 4.25Å; L180-L184 WeakPolarHBondContact O-CB 3.07Å; L180-L184 WeakPolarHBondContact O-CG 3.22Å; L180-L184 PolarHBondContact O-N 2.88Å; L180-V204 HydrophobicContact CD2-CG2 4.36Å; L180-V212 HydrophobicContact CD1-CG2 4.48Å; L180-V212 HydrophobicContact CD2-CG1 4.44Å; L180-V212 HydrophobicContact CD2-CG2 3.85Å; L180-L244 HydrophobicContact CD1-CD2 3.97Å; L180-L248 HydrophobicContact CB-CD2 4.05Å; L180-L248 HydrophobicContact CD1-CD2 4.19Å
181R90.3Very high86.6Confident90 Ų9060 Ų6034%0.3427%0.272SS..Hα-helixtrans-59.5-39.6174.7-175.4179.6175.3-179.2-2.5111.9R177 Q178 S185 A199 V201R177-R181 PolarHBondContact O-N 3.48Å; Q178-R181 PolarHBondContact O-N 3.38Å; R181-S185 VanDerWaalsContact O-CB 3.32Å; R181-S185 WeakPolarHBondContact O-CB 3.28Å; R181-S185 PolarHBondContact O-N 3.39Å; R181-S185 PolarHBondContact O-OG 3.23Å; R181-A199 VanDerWaalsContact CG-O 3.28Å; R181-A199 WeakPolarHBondContact CG-O 3.24Å; R181-A199 PolarHBondContact NE-O 3.12Å; R181-V201 HydrophobicContact CB-CG2 4.08Å; R181-V201 HydrophobicContact CG-CG2 4.19Å
182R90.1Very high87.7Confident119 Ų11951.1 Ų51.145%0.44924%0.24SC..Hα-helixtrans-66.1-47.6176.7-70.4174.4-172.4-167.35.8112.2Q178 N179 L180 S185 Q186 Y247Q178-R182 WeakPolarHBondContact O-CG 3.41Å; Q178-R182 PolarHBondContact O-N 3.37Å; N179-R182 PolarHBondContact O-N 3.29Å; L180-R182 VanDerWaalsContact C-N 3.31Å; L180-R182 PolarHBondContact O-N 2.87Å; R182-S185 PolarHBondContact O-N 3.11Å; R182-Q186 PolarHBondContact O-N 2.8Å; R182-Y247 HydrophobicContact CB-CD1 3.89Å; R182-Y247 HydrophobicContact CB-CD2 4.31Å; R182-Y247 HydrophobicContact CB-CE1 4.04Å; R182-Y247 HydrophobicContact CB-CE2 4.41Å; R182-Y247 HydrophobicContact CB-CG 4.03Å
183G90.6Very high88.6Confident0 Ų057.7 Ų57.70%028%0.276CS..Hα-helixtrans-63.7-44.117800000113.3N179 L180 S185 Q186 G187N179-G183 PolarHBondContact O-N 2.87Å; L180-G183 PolarHBondContact O-N 3.33Å; G183-S185 VanDerWaalsContact C-N 3.32Å; G183-S185 PolarHBondContact O-N 3.27Å; G183-Q186 PolarHBondContact O-N 2.93Å; G183-G187 PolarHBondContact O-N 3.2Å; G183-G187 VanDerWaalsContact O-N 3.08Å
184L91.4Very high89Confident2 Ų255.1 Ų55.11%0.0126%0.262CS..Hα-helixtrans-59.9-42.5172.1-71.4173.8000111.6L180 Q186 G187 L188 A199 V201 V212 Y214 L244L180-L184 HydrophobicContact CD1-CD1 4.17Å; L180-L184 HydrophobicContact CD1-CG 4.32Å; L180-L184 HydrophobicContact CG-CD1 4.25Å; L180-L184 WeakPolarHBondContact O-CB 3.07Å; L180-L184 WeakPolarHBondContact O-CG 3.22Å; L180-L184 PolarHBondContact O-N 2.88Å; L184-Q186 PolarHBondContact O-N 3.44Å; L184-G187 PolarHBondContact O-N 2.87Å; L184-L188 WeakPolarHBondContact O-CB 3.35Å; L184-L188 WeakPolarHBondContact O-CD1 3.42Å; L184-L188 VanDerWaalsContact O-CG 3.24Å; L184-L188 WeakPolarHBondContact O-CG 3.23Å; L184-L188 PolarHBondContact O-N 3.15Å; L184-A199 HydrophobicContact CB-CB 3.87Å; L184-V201 HydrophobicContact CD1-CG2 4.28Å; L184-V212 HydrophobicContact CD1-CG1 3.94Å; L184-Y214 HydrophobicContact CD1-CD1 4.31Å; L184-Y214 HydrophobicContact CD1-CE1 4.42Å; L184-L244 HydrophobicContact CD2-CD1 4.42Å; L184-L244 HydrophobicContact CD2-CD2 3.94Å; L184-L244 HydrophobicContact CG-CD2 3.97Å
185S92.9Very high89.3Confident8 Ų856.4 Ų56.46%0.05627%0.265CS..Hα-helixtrans-64.7-37.2177-57.50000112.6R181 R182 G183 L188 R189 A199R181-S185 VanDerWaalsContact O-CB 3.32Å; R181-S185 WeakPolarHBondContact O-CB 3.28Å; R181-S185 PolarHBondContact O-N 3.39Å; R181-S185 PolarHBondContact O-OG 3.23Å; R182-S185 PolarHBondContact O-N 3.11Å; G183-S185 VanDerWaalsContact C-N 3.32Å; G183-S185 PolarHBondContact O-N 3.27Å; S185-L188 PolarHBondContact O-N 3.41Å; S185-R189 WeakPolarHBondContact O-CD 3.33Å; S185-R189 WeakPolarHBondContact O-CG 3.5Å; S185-R189 PolarHBondContact O-N 3.2Å; S185-A199 PolarHBondContact OG-N 3.26Å
186Q92.8Very high89.6Confident36 Ų3652.9 Ų52.917%0.16825%0.251CS..Hα-helixtrans-63.4-48.6175.9-168.5-166.618.100111.3R182 G183 L184 R189 K190 D243 Y247R182-Q186 PolarHBondContact O-N 2.8Å; G183-Q186 PolarHBondContact O-N 2.93Å; L184-Q186 PolarHBondContact O-N 3.44Å; Q186-R189 PolarHBondContact O-N 2.89Å; Q186-K190 PolarHBondContact O-N 3.32Å; Q186-D243 VanDerWaalsContact CD-CG 3.48Å; Q186-D243 HydrophobicContact CG-CB 4.47Å; Q186-D243 WeakPolarHBondContact CG-OD2 3.39Å; Q186-D243 VanDerWaalsContact OE1-CG 3.3Å; Q186-D243 PolarHBondContact OE1-O 3.01Å; Q186-Y247 HydrophobicContact CB-CE2 4.17Å
187G91.4Very high90Very high0 Ų051.3 Ų51.30%024%0.244CC..Hα-helixtrans-61.4-43.9176.400000112.2G183 L184 R189 K190 A191G183-G187 PolarHBondContact O-N 3.2Å; G183-G187 VanDerWaalsContact O-N 3.08Å; L184-G187 PolarHBondContact O-N 2.87Å; G187-R189 PolarHBondContact O-N 2.93Å; G187-K190 PolarHBondContact O-N 3.47Å; G187-A191 VanDerWaalsContact O-CB 3.23Å; G187-A191 WeakPolarHBondContact O-CB 3.48Å; G187-A191 PolarHBondContact O-N 2.96Å
188L92.9Very high90.4Very high1 Ų149.5 Ų49.51%0.00524%0.241CC..Hα-helixtrans-59.6-41177-78.5163.7000113.3L184 S185 K190 A191 L192 A199 Y214 V216 V228 L232L184-L188 WeakPolarHBondContact O-CB 3.35Å; L184-L188 WeakPolarHBondContact O-CD1 3.42Å; L184-L188 VanDerWaalsContact O-CG 3.24Å; L184-L188 WeakPolarHBondContact O-CG 3.23Å; L184-L188 PolarHBondContact O-N 3.15Å; S185-L188 PolarHBondContact O-N 3.41Å; L188-K190 VanDerWaalsContact C-N 3.31Å; L188-K190 PolarHBondContact O-N 3.06Å; L188-A191 PolarHBondContact O-N 2.89Å; L188-L192 HydrophobicContact CD2-CD1 4.36Å; L188-L192 WeakPolarHBondContact O-CB 3.49Å; L188-L192 PolarHBondContact O-N 3.5Å; L188-A199 HydrophobicContact CD1-CB 3.72Å; L188-Y214 HydrophobicContact CD1-CD2 4.48Å; L188-Y214 HydrophobicContact CD1-CE2 4Å; L188-V216 HydrophobicContact CD1-CG1 4.03Å; L188-V216 HydrophobicContact CD1-CG2 3.71Å; L188-V216 HydrophobicContact CD2-CG1 4.26Å; L188-V216 HydrophobicContact CD2-CG2 3.89Å; L188-V216 HydrophobicContact CG-CG2 4.47Å; L188-V228 HydrophobicContact CD2-CG1 3.85Å; L188-L232 HydrophobicContact CD2-CD1 3.83Å; L188-L232 HydrophobicContact CD2-CD2 3.98Å; L188-L232 HydrophobicContact CD2-CG 3.99Å; L188-L232 HydrophobicContact CG-CD2 4.35Å
189R93.6Very high90.7Very high99 Ų9944.7 Ų44.737%0.37422%0.218SC..Hα-helixtrans-61.1-40.1177.4-70.6162.8-174.9-169.9-7.4112.5S185 Q186 G187 N193 D194 T195 A197S185-R189 WeakPolarHBondContact O-CD 3.33Å; S185-R189 WeakPolarHBondContact O-CG 3.5Å; S185-R189 PolarHBondContact O-N 3.2Å; Q186-R189 PolarHBondContact O-N 2.89Å; G187-R189 PolarHBondContact O-N 2.93Å; R189-N193 VanDerWaalsContact O-CA 3.3Å; R189-N193 WeakPolarHBondContact O-CA 3.29Å; R189-N193 PolarHBondContact O-N 3.07Å; R189-N193 VanDerWaalsContact O-N 3.08Å; R189-D194 WeakPolarHBondContact CA-O 3.29Å; R189-D194 VanDerWaalsContact CB-O 3.29Å; R189-D194 WeakPolarHBondContact CB-O 3.43Å; R189-D194 VanDerWaalsContact CG-O 3.28Å; R189-D194 WeakPolarHBondContact CG-O 3.49Å; R189-D194 PolarHBondContact O-N 2.9Å; R189-T195 PolarHBondContact NE-O 3.32Å; R189-A197 HydrophobicContact CG-CB 3.99Å; R189-A197 VanDerWaalsContact CG-O 3.29Å; R189-A197 WeakPolarHBondContact CG-O 3.44Å; R189-A197 PolarHBondContact NE-O 2.84Å
190K91.4Very high90.7Very high88 Ų8846 Ų4638%0.38322%0.223SC..Hα-helixtrans-78.1-22.3176.6-60.3176.4-170.7168.10113.3Q186 G187 L188 Y235 D243Q186-K190 PolarHBondContact O-N 3.32Å; G187-K190 PolarHBondContact O-N 3.47Å; L188-K190 VanDerWaalsContact C-N 3.31Å; L188-K190 PolarHBondContact O-N 3.06Å; K190-Y235 HydrophobicContact CB-CD2 4.1Å; K190-Y235 HydrophobicContact CB-CE2 3.48Å; K190-Y235 VanDerWaalsContact CB-CE2 3.48Å; K190-Y235 HydrophobicContact CD-CE2 4.21Å; K190-Y235 VanDerWaalsContact CD-OH 3.27Å; K190-Y235 WeakPolarHBondContact CD-OH 3.49Å; K190-D243 VanDerWaalsContact CD-OD2 3.3Å; K190-D243 WeakPolarHBondContact CD-OD2 3.37Å; K190-D243 VanDerWaalsContact CE-OD2 3.22Å; K190-D243 WeakPolarHBondContact CE-OD2 3.38Å; K190-D243 IonicContact NZ-OD1 2.67Å; K190-D243 PolarHBondContact NZ-OD1 2.76Å; K190-D243 IonicContact NZ-OD2 3.77Å; K190-D243 PolarHBondContact NZ-OD2 2.91Å
191A90.8Very high90.7Very high12 Ų1247.8 Ų47.810%0.09923%0.234CC..Hα-helixtrans-84.4-35.6178.900000113.2G187 L188 L232 Y235G187-A191 VanDerWaalsContact O-CB 3.23Å; G187-A191 WeakPolarHBondContact O-CB 3.48Å; G187-A191 PolarHBondContact O-N 2.96Å; L188-A191 PolarHBondContact O-N 2.89Å; A191-L232 HydrophobicContact CB-CD2 3.8Å; A191-L232 HydrophobicContact CB-CG 4.41Å; A191-Y235 HydrophobicContact CB-CD1 4.49Å; A191-Y235 HydrophobicContact CB-CG 3.99Å
192L88.8Confident90.4Very high18 Ų1847.3 Ų47.39%0.09424%0.235CC..Hα-helixtrans-97-8.7179.2-62.3175.1000113.1L188 D194 A197 V216 Y223 V227L188-L192 HydrophobicContact CD2-CD1 4.36Å; L188-L192 WeakPolarHBondContact O-CB 3.49Å; L188-L192 PolarHBondContact O-N 3.5Å; L192-D194 PolarHBondContact O-N 2.82Å; L192-A197 HydrophobicContact CD1-CB 4.39Å; L192-V216 HydrophobicContact CD1-CG1 4.05Å; L192-Y223 HydrophobicContact CD1-CD2 3.82Å; L192-Y223 HydrophobicContact CD1-CE2 3.93Å; L192-Y223 HydrophobicContact CD1-CG 4.18Å; L192-V227 HydrophobicContact CD2-CG1 4.01Å
193N90.5Very high90Very high147 Ų14743.4 Ų43.479%0.78623%0.225SC*.SBendtrans5721.3-170.3-65.2-41.4000114.6R189R189-N193 VanDerWaalsContact O-CA 3.3Å; R189-N193 WeakPolarHBondContact O-CA 3.29Å; R189-N193 PolarHBondContact O-N 3.07Å; R189-N193 VanDerWaalsContact O-N 3.08Å
194D88.3Confident89.5Confident29 Ų2944 Ų4416%0.15523%0.228CC..  trans-105.6124.2174.3166.232.7000110R189 L192 S196 A197 G218 Y223R189-D194 WeakPolarHBondContact CA-O 3.29Å; R189-D194 VanDerWaalsContact CB-O 3.29Å; R189-D194 WeakPolarHBondContact CB-O 3.43Å; R189-D194 VanDerWaalsContact CG-O 3.28Å; R189-D194 WeakPolarHBondContact CG-O 3.49Å; R189-D194 PolarHBondContact O-N 2.9Å; L192-D194 PolarHBondContact O-N 2.82Å; D194-S196 VanDerWaalsContact C-N 3.31Å; D194-S196 PolarHBondContact O-N 2.93Å; D194-S196 WeakPolarHBondContact OD1-CB 3.38Å; D194-S196 PolarHBondContact OD1-N 3.4Å; D194-S196 PolarHBondContact OD1-OG 2.89Å; D194-S196 PolarHBondContact OD2-OG 3.11Å; D194-A197 HydrophobicContact CB-CB 4.23Å; D194-A197 VanDerWaalsContact OD2-CA 3.32Å; D194-A197 WeakPolarHBondContact OD2-CA 3.2Å; D194-A197 WeakPolarHBondContact OD2-CB 3.41Å; D194-A197 PolarHBondContact OD2-N 2.92Å; D194-G218 WeakPolarHBondContact OD2-CA 3.3Å; D194-Y223 PolarHBondContact OD2-OH 3.47Å
195T88.8Confident88.8Confident124 Ų12449.8 Ų49.876%0.76125%0.254SS*.SBendtrans-74.2-22.3178.659.70000113.1R189R189-T195 PolarHBondContact NE-O 3.32Å
196S89.6Confident87.5Confident42 Ų4251.6 Ų51.629%0.29427%0.274SS..SBendtrans-82.5-20.9-178.579.10000113.2D194 Q198 G218 G219D194-S196 VanDerWaalsContact C-N 3.31Å; D194-S196 PolarHBondContact O-N 2.93Å; D194-S196 WeakPolarHBondContact OD1-CB 3.38Å; D194-S196 PolarHBondContact OD1-N 3.4Å; D194-S196 PolarHBondContact OD1-OG 2.89Å; D194-S196 PolarHBondContact OD2-OG 3.11Å; S196-Q198 PolarHBondContact O-N 3.28Å; S196-G218 WeakPolarHBondContact OG-CA 3.25Å; S196-G219 PolarHBondContact OG-N 3.25Å
197A91.2Very high86.3Confident0 Ų052.5 Ų52.50%028%0.284CS..  trans-50.4133.4-17800000113.2R189 L192 D194 T217R189-A197 HydrophobicContact CG-CB 3.99Å; R189-A197 VanDerWaalsContact CG-O 3.29Å; R189-A197 WeakPolarHBondContact CG-O 3.44Å; R189-A197 PolarHBondContact NE-O 2.84Å; L192-A197 HydrophobicContact CD1-CB 4.39Å; D194-A197 HydrophobicContact CB-CB 4.23Å; D194-A197 VanDerWaalsContact OD2-CA 3.32Å; D194-A197 WeakPolarHBondContact OD2-CA 3.2Å; D194-A197 WeakPolarHBondContact OD2-CB 3.41Å; D194-A197 PolarHBondContact OD2-N 2.92Å; A197-T217 CarbonylContact C-O 3.19Å; A197-T217 WeakPolarHBondContact CA-O 3.38Å
198Q91.5Very high85.3Confident81 Ų8156.9 Ų56.938%0.37931%0.313SS..EExtended strand (participates in β ladder)trans-141.4137.6176.9-70.6177.958.300110.7S196 V216 T217S196-Q198 PolarHBondContact O-N 3.28Å; Q198-V216 WeakPolarHBondContact O-CA 3.23Å; Q198-T217 PolarHBondContact N-O 3.43Å; Q198-T217 PolarHBondContact O-N 3.3Å
199A91.6Very high84.9Confident0 Ų060.8 Ų60.80%033%0.333CS..EExtended strand (participates in β ladder)trans-70.5133.8163.200000109.2R181 L184 S185 L188 V201 Y214R181-A199 VanDerWaalsContact CG-O 3.28Å; R181-A199 WeakPolarHBondContact CG-O 3.24Å; R181-A199 PolarHBondContact NE-O 3.12Å; L184-A199 HydrophobicContact CB-CB 3.87Å; S185-A199 PolarHBondContact OG-N 3.26Å; L188-A199 HydrophobicContact CD1-CB 3.72Å; A199-V201 HydrophobicContact CB-CG2 4.5Å; A199-Y214 HydrophobicContact CB-CD2 4.03Å; A199-Y214 HydrophobicContact CB-CG 4.42Å
200Q89.2Confident84.5Confident68 Ų6856.5 Ų56.532%0.31832%0.318SS..EExtended strand (participates in β ladder)trans-109.7100.1165.7-56.4-1423700107.4E202 Y214 H215 T217Q200-E202 PolarHBondContact O-N 3.3Å; Q200-Y214 CarbonylContact O-C 3.54Å; Q200-Y214 WeakPolarHBondContact O-CA 3.02Å; Q200-Y214 WeakPolarHBondContact O-CB 3.39Å; Q200-H215 WeakPolarHBondContact CB-CE1 3.28Å; Q200-H215 WeakPolarHBondContact CB-NE2 3.29Å; Q200-H215 WeakPolarHBondContact CG-NE2 3.26Å; Q200-H215 PolarHBondContact N-O 2.92Å; Q200-H215 PolarHBondContact O-N 2.83Å; Q200-T217 HydrophobicContact CG-CG2 4.25Å; Q200-T217 VanDerWaalsContact NE2-CG2 3.31Å; Q200-T217 PolarHBondContact NE2-OG1 2.88Å
201V87.2Confident84.3Confident39 Ų3954 Ų5424%0.23631%0.31CS..EExtended strand (participates in β ladder)trans-82112.5-175.2178.70000109.5R181 L184 A199 V204 V212R181-V201 HydrophobicContact CB-CG2 4.08Å; R181-V201 HydrophobicContact CG-CG2 4.19Å; L184-V201 HydrophobicContact CD1-CG2 4.28Å; A199-V201 HydrophobicContact CB-CG2 4.5Å; V201-V204 HydrophobicContact CG1-CG2 3.57Å; V201-V212 HydrophobicContact CG1-CG1 3.73Å; V201-V212 HydrophobicContact CG2-CG1 4.09Å
202E84.6Confident84.2Confident81 Ų8153.5 Ų53.538%0.37931%0.306SS..EExtended strand (participates in β ladder)trans-82.2-53.1-177.9-57.5-76.6-167.200110.2W158 Q200 A213 H215W158-E202 HydrophobicContact CD2-CG 4.24Å; W158-E202 HydrophobicContact CH2-CB 4.35Å; W158-E202 HydrophobicContact CZ2-CB 4.08Å; W158-E202 HydrophobicContact CZ2-CG 3.83Å; W158-E202 PolarHBondContact NE1-OE1 2.98Å; Q200-E202 PolarHBondContact O-N 3.3Å; E202-A213 PolarHBondContact N-O 3.3Å; E202-H215 IonicContact OE1-CE1 3.23Å; E202-H215 PolarHBondContact OE1-CE1 3.48Å; E202-H215 VanDerWaalsContact OE1-CE1 3.23Å; E202-H215 IonicContact OE1-ND1 2.75Å; E202-H215 PolarHBondContact OE1-ND1 2.88Å
203T81.8Confident84.3Confident36 Ų3652.6 Ų52.622%0.22130%0.301CS..EExtended strand (participates in β ladder)trans-142152.2-175.965.60000112.2F205 A213T203-F205 HydrophobicContact CG2-CE2 3.9Å; T203-F205 HydrophobicContact CG2-CZ 3.9Å; T203-F205 WeakPolarHBondContact OG1-CE2 3.48Å; T203-A213 PolarHBondContact N-O 3.39Å; T203-A213 PolarHBondContact O-N 3.42Å; T203-A213 WeakPolarHBondContact OG1-CB 3.3Å
204V78.6Confident84.4Confident13 Ų1345.7 Ų45.78%0.07926%0.264CS..EExtended strand (participates in β ladder)trans-140.3121.4174-169.40000108.7L172 L180 V201 M210 T211 V212L172-V204 HydrophobicContact CD1-CG1 3.85Å; L180-V204 HydrophobicContact CD2-CG2 4.36Å; V201-V204 HydrophobicContact CG1-CG2 3.57Å; V204-M210 HydrophobicContact CG1-CB 4.17Å; V204-M210 HydrophobicContact CG1-CG 4.48Å; V204-T211 WeakPolarHBondContact CA-O 3.48Å; V204-V212 HydrophobicContact CG1-CG2 4.26Å; V204-V212 HydrophobicContact CG2-CG1 4.24Å
205F77.1Confident84.6Confident123 Ų12344.7 Ų44.754%0.53926%0.258SS..EExtended strand (participates in β ladder)trans-134.1161.9-175.5-56.9-62000111.5T203 M210 T211T203-F205 HydrophobicContact CG2-CE2 3.9Å; T203-F205 HydrophobicContact CG2-CZ 3.9Å; T203-F205 WeakPolarHBondContact OG1-CE2 3.48Å; F205-M210 CarbonylContact O-C 3.54Å; F205-M210 VanDerWaalsContact O-CA 3.32Å; F205-M210 WeakPolarHBondContact O-CA 3.46Å; F205-T211 PolarHBondContact N-O 3.42Å; F205-T211 PolarHBondContact O-N 2.7Å; F205-T211 PolarHBondContact O-OG1 3.46Å
206G65.8Low84.7Confident47 Ų4738.8 Ų38.849%0.48522%0.222SC..  trans87158.8179.100000114.7N209 M210G206-N209 CarbonylContact C-O 3.52Å; G206-M210 WeakPolarHBondContact O-CG 3.24Å
207S68.7Low84.8Confident55 Ų5537.7 Ų37.739%0.38521%0.214SC..SBendtrans-163.1132.6175.5570000108.6
208P70.1Confident84.7Confident92 Ų9237.9 Ų37.960%0.59722%0.215SC*.SBendcis-80-13.20.133.6-36.9000114.2I165 M210I165-P208 PolarHBondContact N-O 2.97Å; P208-M210 PolarHBondContact O-N 3.31Å
209N84.4Confident84.3Confident82 Ų8237 Ų3744%0.43923%0.228SC..EExtended strand (participates in β ladder)trans-84.4104.2173.9-70.7-25.5000109.3V162 S164 G206V162-N209 HydrophobicContact CG1-CB 4.07Å; S164-N209 VanDerWaalsContact CB-OD1 3.27Å; S164-N209 WeakPolarHBondContact CB-OD1 3.24Å; G206-N209 CarbonylContact C-O 3.52Å
210M84.2Confident83.8Confident9 Ų942.8 Ų42.84%0.04426%0.255CS..EExtended strand (participates in β ladder)trans-91.8111.4-178.4-80.3164.7168.400110.6V162 V163 I165 L172 V204 F205 G206 P208V162-M210 WeakPolarHBondContact CA-O 3.27Å; V163-M210 PolarHBondContact N-O 3.3Å; V163-M210 PolarHBondContact O-N 3.05Å; I165-M210 HydrophobicContact CB-SD 4.43Å; I165-M210 HydrophobicContact CD1-SD 3.88Å; I165-M210 HydrophobicContact CG1-SD 4.32Å; L172-M210 HydrophobicContact CD1-CE 4.23Å; L172-M210 HydrophobicContact CD1-CG 4.49Å; L172-M210 HydrophobicContact CD1-SD 3.42Å; L172-M210 WeakPolarHBondContact CD1-SD 3.48Å; L172-M210 HydrophobicContact CD2-SD 4.36Å; L172-M210 HydrophobicContact CG-CE 3.89Å; L172-M210 HydrophobicContact CG-SD 3.52Å; L172-M210 VanDerWaalsContact CG-SD 3.52Å; V204-M210 HydrophobicContact CG1-CB 4.17Å; V204-M210 HydrophobicContact CG1-CG 4.48Å; F205-M210 CarbonylContact O-C 3.54Å; F205-M210 VanDerWaalsContact O-CA 3.32Å; F205-M210 WeakPolarHBondContact O-CA 3.46Å; G206-M210 WeakPolarHBondContact O-CG 3.24Å; P208-M210 PolarHBondContact O-N 3.31Å
211T87.6Confident83.5Confident37 Ų3742 Ų4223%0.22726%0.255CS..EExtended strand (participates in β ladder)trans-80.8115.1171.867.80000108.9V162 V204 F205V162-T211 HydrophobicContact CG1-CG2 4.37Å; V162-T211 HydrophobicContact CG2-CG2 3.96Å; V204-T211 WeakPolarHBondContact CA-O 3.48Å; F205-T211 PolarHBondContact N-O 3.42Å; F205-T211 PolarHBondContact O-N 2.7Å; F205-T211 PolarHBondContact O-OG1 3.46Å
212V89.7Confident83.7Confident0 Ų040.4 Ų40.40%025%0.245CC..EExtended strand (participates in β ladder)trans-99.7123.6177.6-170.60000108.2K160 T161 V163 L180 L184 V201 V204 Y214K160-V212 WeakPolarHBondContact CA-O 3.28Å; T161-V212 PolarHBondContact N-O 2.82Å; T161-V212 PolarHBondContact O-N 3.23Å; V163-V212 HydrophobicContact CG2-CG2 4Å; L180-V212 HydrophobicContact CD1-CG2 4.48Å; L180-V212 HydrophobicContact CD2-CG1 4.44Å; L180-V212 HydrophobicContact CD2-CG2 3.85Å; L184-V212 HydrophobicContact CD1-CG1 3.94Å; V201-V212 HydrophobicContact CG1-CG1 3.73Å; V201-V212 HydrophobicContact CG2-CG1 4.09Å; V204-V212 HydrophobicContact CG1-CG2 4.26Å; V204-V212 HydrophobicContact CG2-CG1 4.24Å; V212-Y214 HydrophobicContact CG1-CD1 4.07Å
213A91.2Very high84Confident0 Ų037.8 Ų37.80%023%0.232CC..EExtended strand (participates in β ladder)trans-101.7126.7167.800000109.3W158 V159 E202 T203 W261W158-A213 HydrophobicContact CE3-CB 4.37Å; V159-A213 WeakPolarHBondContact O-CA 3.38Å; E202-A213 PolarHBondContact N-O 3.3Å; T203-A213 PolarHBondContact N-O 3.39Å; T203-A213 PolarHBondContact O-N 3.42Å; T203-A213 WeakPolarHBondContact OG1-CB 3.3Å; A213-W261 HydrophobicContact CB-CD2 4.41Å; A213-W261 HydrophobicContact CB-CE3 3.78Å; A213-W261 HydrophobicContact CB-CH2 4.16Å; A213-W261 HydrophobicContact CB-CZ3 3.65Å
214Y91.9Very high84.4Confident1 Ų136.1 Ų36.10%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-147.5154.1178.264-83.8000111.8V159 T161 L184 L188 A199 Q200 V212 V216 V228 L232V159-Y214 HydrophobicContact CB-CE1 4.34Å; V159-Y214 HydrophobicContact CB-CE2 4.12Å; V159-Y214 HydrophobicContact CG1-CE1 4.07Å; V159-Y214 HydrophobicContact CG1-CE2 4.15Å; V159-Y214 WeakPolarHBondContact CG1-OH 3.43Å; V159-Y214 PolarHBondContact N-O 2.93Å; V159-Y214 PolarHBondContact O-N 3.43Å; T161-Y214 WeakPolarHBondContact OG1-CE1 3.25Å; T161-Y214 PolarHBondContact OG1-OH 3.28Å; L184-Y214 HydrophobicContact CD1-CD1 4.31Å; L184-Y214 HydrophobicContact CD1-CE1 4.42Å; L188-Y214 HydrophobicContact CD1-CD2 4.48Å; L188-Y214 HydrophobicContact CD1-CE2 4Å; A199-Y214 HydrophobicContact CB-CD2 4.03Å; A199-Y214 HydrophobicContact CB-CG 4.42Å; Q200-Y214 CarbonylContact O-C 3.54Å; Q200-Y214 WeakPolarHBondContact O-CA 3.02Å; Q200-Y214 WeakPolarHBondContact O-CB 3.39Å; V212-Y214 HydrophobicContact CG1-CD1 4.07Å; Y214-V216 HydrophobicContact CD2-CG2 3.77Å; Y214-V216 HydrophobicContact CE2-CG2 3.64Å; Y214-V228 HydrophobicContact CE2-CG1 4.32Å; Y214-L232 WeakPolarHBondContact OH-CD1 3.2Å
215H91.6Very high85Confident8 Ų836 Ų364%0.03722%0.221CC..EExtended strand (participates in β ladder)trans-106.4169161.972.3-99.4000109.6Q200 E202Q200-H215 WeakPolarHBondContact CB-CE1 3.28Å; Q200-H215 WeakPolarHBondContact CB-NE2 3.29Å; Q200-H215 WeakPolarHBondContact CG-NE2 3.26Å; Q200-H215 PolarHBondContact N-O 2.92Å; Q200-H215 PolarHBondContact O-N 2.83Å; E202-H215 IonicContact OE1-CE1 3.23Å; E202-H215 PolarHBondContact OE1-CE1 3.48Å; E202-H215 VanDerWaalsContact OE1-CE1 3.23Å; E202-H215 IonicContact OE1-ND1 2.75Å; E202-H215 PolarHBondContact OE1-ND1 2.88Å
216V92.4Very high85.5Confident1 Ų130.9 Ų30.91%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-125.9131.1-176.9-171.70000110.9L188 L192 Q198 Y214 Y223 V228L188-V216 HydrophobicContact CD1-CG1 4.03Å; L188-V216 HydrophobicContact CD1-CG2 3.71Å; L188-V216 HydrophobicContact CD2-CG1 4.26Å; L188-V216 HydrophobicContact CD2-CG2 3.89Å; L188-V216 HydrophobicContact CG-CG2 4.47Å; L192-V216 HydrophobicContact CD1-CG1 4.05Å; Q198-V216 WeakPolarHBondContact O-CA 3.23Å; Y214-V216 HydrophobicContact CD2-CG2 3.77Å; Y214-V216 HydrophobicContact CE2-CG2 3.64Å; V216-Y223 HydrophobicContact CB-CD2 4.45Å; V216-Y223 HydrophobicContact CG1-CD2 3.95Å; V216-Y223 PolarHBondContact O-N 2.95Å; V216-V228 HydrophobicContact CB-CG2 3.88Å; V216-V228 HydrophobicContact CG2-CB 4.43Å; V216-V228 HydrophobicContact CG2-CG1 3.8Å; V216-V228 HydrophobicContact CG2-CG2 3.69Å
217T91.2Very high86.7Confident18 Ų1829.2 Ų29.211%0.1118%0.181CC..EExtended strand (participates in β ladder)trans-126.5130.3-179.457.50000111.3A197 Q198 Q200 T221 V222A197-T217 CarbonylContact C-O 3.19Å; A197-T217 WeakPolarHBondContact CA-O 3.38Å; Q198-T217 PolarHBondContact N-O 3.43Å; Q198-T217 PolarHBondContact O-N 3.3Å; Q200-T217 HydrophobicContact CG-CG2 4.25Å; Q200-T217 VanDerWaalsContact NE2-CG2 3.31Å; Q200-T217 PolarHBondContact NE2-OG1 2.88Å; T217-T221 CarbonylContact C-O 3.5Å; T217-T221 VanDerWaalsContact CA-O 3.27Å; T217-T221 WeakPolarHBondContact CA-O 3.29Å; T217-V222 HydrophobicContact CG2-CG1 4.44Å; T217-V222 HydrophobicContact CG2-CG2 4.1Å
218G87.8Confident87.8Confident4 Ų426.7 Ų26.74%0.04116%0.163CC..EExtended strand (participates in β ladder)trans-118.9105.1173.100000110.2D194 S196 E220 T221D194-G218 WeakPolarHBondContact OD2-CA 3.3Å; S196-G218 WeakPolarHBondContact OG-CA 3.25Å; G218-E220 PolarHBondContact O-N 3.34Å; G218-T221 PolarHBondContact N-O 2.92Å; G218-T221 WeakPolarHBondContact O-CA 3.42Å; G218-T221 WeakPolarHBondContact O-CB 3.34Å; G218-T221 PolarHBondContact O-N 2.89Å; G218-T221 PolarHBondContact O-OG1 2.85Å
219G84Confident88.8Confident62 Ų6222.9 Ų22.964%0.63914%0.14SC*.THydrogen-bonded Turntrans59.9-122.7-172.500000111.6S196S196-G219 PolarHBondContact OG-N 3.25Å
220E80.6Confident89.1Confident122 Ų12224.3 Ų24.357%0.5714%0.144SC*.THydrogen-bonded Turntrans-82.7-9.8173.1-59.9-168.3131.300113.7G218G218-E220 PolarHBondContact O-N 3.34Å
221T84.1Confident89.3Confident51 Ų5124.2 Ų24.231%0.31315%0.146SC..EExtended strand (participates in β ladder)trans-89.2145.7-176.973.60000111.9T217 G218T217-T221 CarbonylContact C-O 3.5Å; T217-T221 VanDerWaalsContact CA-O 3.27Å; T217-T221 WeakPolarHBondContact CA-O 3.29Å; G218-T221 PolarHBondContact N-O 2.92Å; G218-T221 WeakPolarHBondContact O-CA 3.42Å; G218-T221 WeakPolarHBondContact O-CB 3.34Å; G218-T221 PolarHBondContact O-N 2.89Å; G218-T221 PolarHBondContact O-OG1 2.85Å
222V90.4Very high89.5Confident6 Ų622.6 Ų22.64%0.03614%0.136CC..EExtended strand (participates in β ladder)trans-111.4131.3169-173.40000107.1P149 I153 T217 C287P149-V222 HydrophobicContact CB-CG2 4.27Å; I153-V222 HydrophobicContact CD1-CG2 4.44Å; T217-V222 HydrophobicContact CG2-CG1 4.44Å; T217-V222 HydrophobicContact CG2-CG2 4.1Å; V222-C287 HydrophobicContact CB-CB 3.74Å; V222-C287 HydrophobicContact CG1-CB 4.25Å; V222-C287 WeakPolarHBondContact O-CB 3.5Å; V222-C287 PolarHBondContact O-N 2.73Å
223Y90.4Very high89.5Confident27 Ų2728.6 Ų28.611%0.10617%0.165CC..EExtended strand (participates in β ladder)trans-88.9139.3179.9-69.3-73.6000111.5L192 D194 V216 V227 R285L192-Y223 HydrophobicContact CD1-CD2 3.82Å; L192-Y223 HydrophobicContact CD1-CE2 3.93Å; L192-Y223 HydrophobicContact CD1-CG 4.18Å; D194-Y223 PolarHBondContact OD2-OH 3.47Å; V216-Y223 HydrophobicContact CB-CD2 4.45Å; V216-Y223 HydrophobicContact CG1-CD2 3.95Å; V216-Y223 PolarHBondContact O-N 2.95Å; Y223-V227 HydrophobicContact CD1-CG1 4.34Å; Y223-R285 HydrophobicContact CD1-CB 4.34Å; Y223-R285 WeakPolarHBondContact CD1-O 3.23Å; Y223-R285 HydrophobicContact CE1-CB 4.34Å
224P90.9Very high89.4Confident1 Ų133 Ų331%0.00620%0.196CC..  trans-74.6153.1175.532.3-35.2000111.4S226 V227 V228 R285 L290P224-S226 PolarHBondContact O-N 3.15Å; P224-S226 VanDerWaalsContact O-N 3.11Å; P224-V227 HydrophobicContact CG-CB 4.1Å; P224-V227 HydrophobicContact CG-CG2 3.8Å; P224-V227 PolarHBondContact O-N 3.23Å; P224-V227 VanDerWaalsContact O-N 3.17Å; P224-V228 PolarHBondContact O-N 2.63Å; P224-R285 WeakPolarHBondContact CD-O 2.93Å; P224-L290 HydrophobicContact CB-CD1 3.77Å
225P90.4Very high89.4Confident9 Ų934.6 Ų34.66%0.05820%0.202CC..Hα-helixtrans-56.2-32.2-176.6-26.632.4000114.6R156 V159 V228 A229 L260R156-P225 VanDerWaalsContact O-CG 3.25Å; R156-P225 WeakPolarHBondContact O-CG 3.48Å; V159-P225 HydrophobicContact CG2-CB 3.91Å; V159-P225 HydrophobicContact CG2-CG 4.44Å; P225-V228 PolarHBondContact O-N 3.34Å; P225-A229 VanDerWaalsContact O-CB 3.24Å; P225-A229 WeakPolarHBondContact O-CB 3.45Å; P225-A229 PolarHBondContact O-N 2.85Å; P225-L260 HydrophobicContact CB-CD2 3.85Å; P225-L260 HydrophobicContact CB-CG 4.05Å; P225-L260 HydrophobicContact CG-CD2 4.43Å
226S89.1Confident89.2Confident16 Ų1635.2 Ų35.211%0.11221%0.211CC..Hα-helixtrans-63.2-47.9179.356.10000111.9P224 A229 E230 S321P224-S226 PolarHBondContact O-N 3.15Å; P224-S226 VanDerWaalsContact O-N 3.11Å; S226-A229 PolarHBondContact O-N 2.69Å; S226-E230 WeakPolarHBondContact O-CB 3.22Å; S226-E230 PolarHBondContact O-N 3.47Å; S226-S321 VanDerWaalsContact CB-CB 3.48Å
227V90.4Very high89.1Confident13 Ų1340.1 Ų40.18%0.07923%0.229CC..Hα-helixtrans-68-37.8178.7174.20000110.8L192 Y223 P224 G231 R285L192-V227 HydrophobicContact CD2-CG1 4.01Å; Y223-V227 HydrophobicContact CD1-CG1 4.34Å; P224-V227 HydrophobicContact CG-CB 4.1Å; P224-V227 HydrophobicContact CG-CG2 3.8Å; P224-V227 PolarHBondContact O-N 3.23Å; P224-V227 VanDerWaalsContact O-N 3.17Å; V227-G231 PolarHBondContact O-N 2.69Å; V227-R285 HydrophobicContact CG1-CB 4.25Å; V227-R285 HydrophobicContact CG1-CG 4.25Å; V227-R285 HydrophobicContact CG2-CB 4.31Å; V227-R285 HydrophobicContact CG2-CG 4.24Å
228V92.2Very high89Confident1 Ų145 Ų451%0.00626%0.255CS..Hα-helixtrans-64.9-39.7173.9177.60000111.5V159 L188 Y214 V216 P224 P225 L232V159-V228 HydrophobicContact CB-CG1 4.48Å; V159-V228 HydrophobicContact CG1-CG1 4.18Å; V159-V228 HydrophobicContact CG2-CB 4.09Å; V159-V228 HydrophobicContact CG2-CG1 3.92Å; L188-V228 HydrophobicContact CD2-CG1 3.85Å; Y214-V228 HydrophobicContact CE2-CG1 4.32Å; V216-V228 HydrophobicContact CB-CG2 3.88Å; V216-V228 HydrophobicContact CG2-CB 4.43Å; V216-V228 HydrophobicContact CG2-CG1 3.8Å; V216-V228 HydrophobicContact CG2-CG2 3.69Å; P224-V228 PolarHBondContact O-N 2.63Å; P225-V228 PolarHBondContact O-N 3.34Å; V228-L232 HydrophobicContact CG1-CD1 3.95Å; V228-L232 WeakPolarHBondContact O-CB 3.36Å; V228-L232 WeakPolarHBondContact O-CG 3.47Å; V228-L232 PolarHBondContact O-N 3.41Å
229A90.7Very high89.2Confident13 Ų1350.2 Ų50.211%0.10728%0.277CS..Hα-helixtrans-67.6-48.8176.100000111.8P225 S226 G231 L232 M233 V258P225-A229 VanDerWaalsContact O-CB 3.24Å; P225-A229 WeakPolarHBondContact O-CB 3.45Å; P225-A229 PolarHBondContact O-N 2.85Å; S226-A229 PolarHBondContact O-N 2.69Å; A229-G231 PolarHBondContact O-N 2.68Å; A229-L232 PolarHBondContact O-N 3.45Å; A229-M233 HydrophobicContact CB-CE 4.36Å; A229-M233 WeakPolarHBondContact O-CB 3.34Å; A229-M233 VanDerWaalsContact O-CG 3.24Å; A229-M233 WeakPolarHBondContact O-CG 3.38Å; A229-M233 PolarHBondContact O-N 3.16Å; A229-V258 HydrophobicContact CB-CG1 4.08Å; A229-V258 HydrophobicContact CB-CG2 4.11Å
230E89.8Confident89.5Confident111 Ų11147.3 Ų47.352%0.51925%0.246SC..Hα-helixtrans-60-44.2178.1-170.6176.8176.600111.9S226 S234S226-E230 WeakPolarHBondContact O-CB 3.22Å; S226-E230 PolarHBondContact O-N 3.47Å; E230-S234 WeakPolarHBondContact O-CB 3.28Å; E230-S234 PolarHBondContact O-N 3.49Å; E230-S234 PolarHBondContact O-OG 2.81Å
231G89.7Confident90Very high8 Ų842 Ų428%0.08222%0.222CC..Hα-helixtrans-60.8-48.6173.600000112.9V227 A229 S234 Y235V227-G231 PolarHBondContact O-N 2.69Å; A229-G231 PolarHBondContact O-N 2.68Å; G231-S234 PolarHBondContact O-N 2.99Å; G231-S234 PolarHBondContact O-OG 2.94Å; G231-S234 VanDerWaalsContact O-OG 3.06Å; G231-Y235 VanDerWaalsContact O-CB 3.26Å; G231-Y235 WeakPolarHBondContact O-CB 3.27Å; G231-Y235 PolarHBondContact O-N 3.07Å
232L91.3Very high90.3Very high3 Ų341.9 Ų41.92%0.01623%0.226CC..Hα-helixtrans-72.4-29.7-179-70.2173.4000113.3L188 A191 Y214 V228 A229 G236 L240 V258L188-L232 HydrophobicContact CD2-CD1 3.83Å; L188-L232 HydrophobicContact CD2-CD2 3.98Å; L188-L232 HydrophobicContact CD2-CG 3.99Å; L188-L232 HydrophobicContact CG-CD2 4.35Å; A191-L232 HydrophobicContact CB-CD2 3.8Å; A191-L232 HydrophobicContact CB-CG 4.41Å; Y214-L232 WeakPolarHBondContact OH-CD1 3.2Å; V228-L232 HydrophobicContact CG1-CD1 3.95Å; V228-L232 WeakPolarHBondContact O-CB 3.36Å; V228-L232 WeakPolarHBondContact O-CG 3.47Å; V228-L232 PolarHBondContact O-N 3.41Å; A229-L232 PolarHBondContact O-N 3.45Å; L232-G236 PolarHBondContact O-N 2.78Å; L232-L240 HydrophobicContact CD2-CD1 4.05Å; L232-L240 HydrophobicContact CD2-CD2 4.01Å; L232-V258 HydrophobicContact CB-CB 4.16Å; L232-V258 HydrophobicContact CB-CG1 4.17Å; L232-V258 HydrophobicContact CB-CG2 4.38Å; L232-V258 HydrophobicContact CD1-CB 4.21Å; L232-V258 HydrophobicContact CD1-CG2 3.86Å
233M89.4Confident90.3Very high126 Ų12641.9 Ų41.962%0.62123%0.226SC*.Hα-helixtrans-68.2-46.7171.8-73.1-173.1-61.300111.6A229 G236 V258A229-M233 HydrophobicContact CB-CE 4.36Å; A229-M233 WeakPolarHBondContact O-CB 3.34Å; A229-M233 VanDerWaalsContact O-CG 3.24Å; A229-M233 WeakPolarHBondContact O-CG 3.38Å; A229-M233 PolarHBondContact O-N 3.16Å; M233-G236 PolarHBondContact O-N 3.17Å; M233-V258 HydrophobicContact CG-CG1 3.82Å
234S88.8Confident90.3Very high93 Ų9340.6 Ų40.665%0.6522%0.221SC*.Hα-helixtrans-70.4-31.3178.256.50000113.3E230 G231 G236E230-S234 WeakPolarHBondContact O-CB 3.28Å; E230-S234 PolarHBondContact O-N 3.49Å; E230-S234 PolarHBondContact O-OG 2.81Å; G231-S234 PolarHBondContact O-N 2.99Å; G231-S234 PolarHBondContact O-OG 2.94Å; G231-S234 VanDerWaalsContact O-OG 3.06Å; S234-G236 VanDerWaalsContact C-N 3.35Å
235Y91.6Very high90.3Very high33 Ų3346 Ų4613%0.12924%0.241CC..Hα-helixtrans-63.5-41.2171.2-173.3-116.6000112K190 A191 G231 K239 L240K190-Y235 HydrophobicContact CB-CD2 4.1Å; K190-Y235 HydrophobicContact CB-CE2 3.48Å; K190-Y235 VanDerWaalsContact CB-CE2 3.48Å; K190-Y235 HydrophobicContact CD-CE2 4.21Å; K190-Y235 VanDerWaalsContact CD-OH 3.27Å; K190-Y235 WeakPolarHBondContact CD-OH 3.49Å; A191-Y235 HydrophobicContact CB-CD1 4.49Å; A191-Y235 HydrophobicContact CB-CG 3.99Å; G231-Y235 VanDerWaalsContact O-CB 3.26Å; G231-Y235 WeakPolarHBondContact O-CB 3.27Å; G231-Y235 PolarHBondContact O-N 3.07Å; Y235-K239 HydrophobicContact CD1-CB 4.04Å; Y235-K239 HydrophobicContact CD2-CD 4.4Å; Y235-K239 HydrophobicContact CE1-CB 3.45Å; Y235-K239 VanDerWaalsContact CE1-CB 3.45Å; Y235-K239 HydrophobicContact CE2-CB 4.18Å; Y235-K239 HydrophobicContact CE2-CD 4.03Å; Y235-K239 VanDerWaalsContact CZ-CB 3.5Å; Y235-K239 VanDerWaalsContact O-CD 3.25Å; Y235-K239 WeakPolarHBondContact O-CD 3.34Å; Y235-K239 WeakPolarHBondContact O-CE 3.29Å; Y235-K239 PolarHBondContact O-NZ 3.43Å; Y235-L240 HydrophobicContact CD1-CB 4.22Å; Y235-L240 HydrophobicContact CE1-CB 4.36Å
236G88.9Confident90.3Very high22 Ų2251 Ų5123%0.22726%0.264CS..  trans97.2141.1173.400000114.2L232 M233 S234 D238 K239 L240L232-G236 PolarHBondContact O-N 2.78Å; M233-G236 PolarHBondContact O-N 3.17Å; S234-G236 VanDerWaalsContact C-N 3.35Å; G236-D238 PolarHBondContact O-N 2.93Å; G236-K239 PolarHBondContact O-N 2.9Å; G236-L240 PolarHBondContact O-N 3.25Å
237R90.1Very high90.2Very high103 Ų10354.5 Ų54.539%0.38928%0.275SS..Hα-helixtrans-53.4-45.5-173.6176.3174170135.4-6113.6L240 I241 L254 P255R237-L240 PolarHBondContact O-N 2.97Å; R237-I241 HydrophobicContact CG-CD1 3.9Å; R237-I241 WeakPolarHBondContact O-CG1 3.34Å; R237-I241 PolarHBondContact O-N 2.95Å; R237-L254 PolarHBondContact NE-O 3.06Å; R237-L254 PolarHBondContact NH1-O 2.88Å; R237-L254 PolarHBondContact NH2-O 2.87Å; R237-P255 PolarHBondContact NH1-O 2.77Å
238D89.3Confident90Very high120 Ų12054 Ų5464%0.64227%0.272SS*.Hα-helixtrans-76.4-32.6-171.6-52.4-65.2000112.9G236 I241 A242G236-D238 PolarHBondContact O-N 2.93Å; D238-I241 PolarHBondContact O-N 2.9Å; D238-A242 PolarHBondContact O-N 2.81Å
239K90.4Very high89.6Confident115 Ų11559.1 Ų59.150%0.531%0.305SS..Hα-helixtrans-66.2-41.2171.5-51.8-170.3-158.5128.60110.7Y235 G236 A242 D243Y235-K239 HydrophobicContact CD1-CB 4.04Å; Y235-K239 HydrophobicContact CD2-CD 4.4Å; Y235-K239 HydrophobicContact CE1-CB 3.45Å; Y235-K239 VanDerWaalsContact CE1-CB 3.45Å; Y235-K239 HydrophobicContact CE2-CB 4.18Å; Y235-K239 HydrophobicContact CE2-CD 4.03Å; Y235-K239 VanDerWaalsContact CZ-CB 3.5Å; Y235-K239 VanDerWaalsContact O-CD 3.25Å; Y235-K239 WeakPolarHBondContact O-CD 3.34Å; Y235-K239 WeakPolarHBondContact O-CE 3.29Å; Y235-K239 PolarHBondContact O-NZ 3.43Å; G236-K239 PolarHBondContact O-N 2.9Å; K239-A242 WeakPolarHBondContact O-CB 3.26Å; K239-A242 PolarHBondContact O-N 2.95Å; K239-D243 PolarHBondContact O-N 3.2Å
240L91.2Very high89.2Confident0 Ų061.4 Ų61.40%031%0.314CS..Hα-helixtrans-64.4-38.1175.1-175.757.9000112.3L232 Y235 G236 R237 L244 L254 P257L232-L240 HydrophobicContact CD2-CD1 4.05Å; L232-L240 HydrophobicContact CD2-CD2 4.01Å; Y235-L240 HydrophobicContact CD1-CB 4.22Å; Y235-L240 HydrophobicContact CE1-CB 4.36Å; G236-L240 PolarHBondContact O-N 3.25Å; R237-L240 PolarHBondContact O-N 2.97Å; L240-L244 HydrophobicContact CG-CD1 4.39Å; L240-L244 WeakPolarHBondContact O-CB 3.43Å; L240-L244 WeakPolarHBondContact O-CG 3.46Å; L240-L244 PolarHBondContact O-N 2.74Å; L240-L254 HydrophobicContact CB-CD2 4.3Å; L240-L254 HydrophobicContact CD2-CD2 3.61Å; L240-L254 HydrophobicContact CG-CD2 3.83Å; L240-P257 HydrophobicContact CD2-CB 4.49Å
241I91.1Very high89Confident11 Ų1156.2 Ų56.26%0.05629%0.29CS..Hα-helixtrans-63.1-41.7170.7-71.3165000111.2R237 D238 L244 R245 L254R237-I241 HydrophobicContact CG-CD1 3.9Å; R237-I241 WeakPolarHBondContact O-CG1 3.34Å; R237-I241 PolarHBondContact O-N 2.95Å; D238-I241 PolarHBondContact O-N 2.9Å; I241-L244 PolarHBondContact O-N 3.26Å; I241-R245 HydrophobicContact CG2-CG 4.35Å; I241-R245 VanDerWaalsContact CG2-CZ 3.42Å; I241-R245 WeakPolarHBondContact O-CB 3.45Å; I241-R245 VanDerWaalsContact O-CG 3.31Å; I241-R245 WeakPolarHBondContact O-CG 3.43Å; I241-R245 PolarHBondContact O-N 2.82Å; I241-L254 HydrophobicContact CD1-CB 3.78Å; I241-L254 HydrophobicContact CG1-CB 3.54Å; I241-L254 HydrophobicContact CG1-CD2 4.17Å; I241-L254 HydrophobicContact CG1-CG 4.48Å
242A90Very high88.6Confident49 Ų4959.2 Ų59.241%0.40531%0.307SS..Hα-helixtrans-65.2-39.3179.700000113D238 K239 R245 Q246D238-A242 PolarHBondContact O-N 2.81Å; K239-A242 WeakPolarHBondContact O-CB 3.26Å; K239-A242 PolarHBondContact O-N 2.95Å; A242-R245 PolarHBondContact O-N 2.79Å; A242-Q246 PolarHBondContact O-N 2.84Å; A242-Q246 PolarHBondContact O-NE2 3.14Å; A242-Q246 VanDerWaalsContact O-NE2 3.16Å
243D91.3Very high88.3Confident5 Ų560.6 Ų60.63%0.02732%0.319CS..Hα-helixtrans-70.9-39.2173.5-85.910000112.7Q186 K190 K239 R245 Q246Q186-D243 VanDerWaalsContact CD-CG 3.48Å; Q186-D243 HydrophobicContact CG-CB 4.47Å; Q186-D243 WeakPolarHBondContact CG-OD2 3.39Å; Q186-D243 VanDerWaalsContact OE1-CG 3.3Å; Q186-D243 PolarHBondContact OE1-O 3.01Å; K190-D243 VanDerWaalsContact CD-OD2 3.3Å; K190-D243 WeakPolarHBondContact CD-OD2 3.37Å; K190-D243 VanDerWaalsContact CE-OD2 3.22Å; K190-D243 WeakPolarHBondContact CE-OD2 3.38Å; K190-D243 IonicContact NZ-OD1 2.67Å; K190-D243 PolarHBondContact NZ-OD1 2.76Å; K190-D243 IonicContact NZ-OD2 3.77Å; K190-D243 PolarHBondContact NZ-OD2 2.91Å; K239-D243 PolarHBondContact O-N 3.2Å; D243-R245 VanDerWaalsContact C-N 3.33Å; D243-R245 PolarHBondContact O-N 3.29Å; D243-Q246 PolarHBondContact O-N 2.68Å; D243-Q246 PolarHBondContact OD1-NE2 2.99Å
244L90.6Very high88.2Confident0 Ų054.6 Ų54.60%029%0.289CS..Hα-helixtrans-59.7-42.8171.2-80.2167.8000112L180 L184 L240 I241 Q246 Y247 L248 V251 L254L180-L244 HydrophobicContact CD1-CD2 3.97Å; L184-L244 HydrophobicContact CD2-CD1 4.42Å; L184-L244 HydrophobicContact CD2-CD2 3.94Å; L184-L244 HydrophobicContact CG-CD2 3.97Å; L240-L244 HydrophobicContact CG-CD1 4.39Å; L240-L244 WeakPolarHBondContact O-CB 3.43Å; L240-L244 WeakPolarHBondContact O-CG 3.46Å; L240-L244 PolarHBondContact O-N 2.74Å; I241-L244 PolarHBondContact O-N 3.26Å; L244-Q246 VanDerWaalsContact C-N 3.31Å; L244-Q246 PolarHBondContact O-N 3.02Å; L244-Y247 PolarHBondContact O-N 2.79Å; L244-L248 WeakPolarHBondContact O-CA 3.38Å; L244-L248 WeakPolarHBondContact O-CB 3.35Å; L244-L248 PolarHBondContact O-N 3.14Å; L244-V251 HydrophobicContact CB-CG2 4.5Å; L244-L254 HydrophobicContact CD1-CD1 3.82Å; L244-L254 HydrophobicContact CD1-CD2 4.37Å
245R90.4Very high87.8Confident116 Ų11652.8 Ų52.844%0.43828%0.275SS..Hα-helixtrans-67.8-24.1-179.9-76.4175.6-179.9163.31.5114I241 A242 D243 Y247 V251 T252I241-R245 HydrophobicContact CG2-CG 4.35Å; I241-R245 VanDerWaalsContact CG2-CZ 3.42Å; I241-R245 WeakPolarHBondContact O-CB 3.45Å; I241-R245 VanDerWaalsContact O-CG 3.31Å; I241-R245 WeakPolarHBondContact O-CG 3.43Å; I241-R245 PolarHBondContact O-N 2.82Å; A242-R245 PolarHBondContact O-N 2.79Å; D243-R245 VanDerWaalsContact C-N 3.33Å; D243-R245 PolarHBondContact O-N 3.29Å; R245-Y247 VanDerWaalsContact C-N 3.28Å; R245-Y247 PolarHBondContact O-N 2.79Å; R245-V251 HydrophobicContact CG-CB 4.23Å; R245-V251 PolarHBondContact NE-O 3.14Å; R245-T252 PolarHBondContact NH2-O 2.88Å
246Q89.6Confident87.5Confident114 Ų11454.2 Ų54.253%0.53329%0.285SS..Hα-helixtrans-62.3-33.7174.2-77.3161.362.100112.6A242 D243 L244A242-Q246 PolarHBondContact O-N 2.84Å; A242-Q246 PolarHBondContact O-NE2 3.14Å; A242-Q246 VanDerWaalsContact O-NE2 3.16Å; D243-Q246 PolarHBondContact O-N 2.68Å; D243-Q246 PolarHBondContact OD1-NE2 2.99Å; L244-Q246 VanDerWaalsContact C-N 3.31Å; L244-Q246 PolarHBondContact O-N 3.02Å
247Y87.1Confident87.1Confident88 Ų8854.7 Ų54.735%0.34528%0.284SS..Hα-helixtrans-103.4-22.4176.9-65.4-81000113.5N179 R182 Q186 L244 R245N179-Y247 WeakPolarHBondContact CB-O 3.39Å; N179-Y247 PolarHBondContact ND2-O 3.47Å; N179-Y247 WeakPolarHBondContact O-CB 3.23Å; R182-Y247 HydrophobicContact CB-CD1 3.89Å; R182-Y247 HydrophobicContact CB-CD2 4.31Å; R182-Y247 HydrophobicContact CB-CE1 4.04Å; R182-Y247 HydrophobicContact CB-CE2 4.41Å; R182-Y247 HydrophobicContact CB-CG 4.03Å; Q186-Y247 HydrophobicContact CB-CE2 4.17Å; L244-Y247 PolarHBondContact O-N 2.79Å; R245-Y247 VanDerWaalsContact C-N 3.28Å; R245-Y247 PolarHBondContact O-N 2.79Å
248L86.4Confident87Confident4 Ų450.5 Ų50.52%0.02127%0.27CS..  trans-140.572-170.3-144.674.4000110.5I165 Q176 N179 L180 L244 M250 V251I165-L248 HydrophobicContact CD1-CD2 3.88Å; Q176-L248 HydrophobicContact CB-CD1 4.16Å; N179-L248 HydrophobicContact CB-CD1 3.76Å; L180-L248 HydrophobicContact CB-CD2 4.05Å; L180-L248 HydrophobicContact CD1-CD2 4.19Å; L244-L248 WeakPolarHBondContact O-CA 3.38Å; L244-L248 WeakPolarHBondContact O-CB 3.35Å; L244-L248 PolarHBondContact O-N 3.14Å; L248-M250 HydrophobicContact CG-CG 4Å; L248-M250 PolarHBondContact O-N 2.92Å; L248-V251 HydrophobicContact CB-CG2 4.01Å; L248-V251 HydrophobicContact CD2-CG2 3.87Å; L248-V251 HydrophobicContact CG-CG2 4.23Å; L248-V251 WeakPolarHBondContact O-CB 3.19Å; L248-V251 VanDerWaalsContact O-CG2 3.31Å; L248-V251 WeakPolarHBondContact O-CG2 3.26Å; L248-V251 PolarHBondContact O-N 2.68Å
249P83.8Confident86.9Confident108 Ų10846.3 Ų46.370%0.70125%0.252SS*.THydrogen-bonded Turntrans-63.3-13.9-172.824.9-35.6000114.5V251P249-V251 VanDerWaalsContact C-N 3.25Å; P249-V251 PolarHBondContact O-N 2.88Å
250M82.4Confident86.7Confident60 Ų6044.2 Ų44.230%0.29625%0.246SC..THydrogen-bonded Turntrans-74.4-3.1173.450.6175.766.700114.8I165 Y166 V167 L248 T252I165-M250 WeakPolarHBondContact CA-O 3.33Å; I165-M250 HydrophobicContact CG2-CB 3.82Å; I165-M250 HydrophobicContact CG2-CG 3.51Å; I165-M250 WeakPolarHBondContact CG2-O 3.42Å; I165-M250 HydrophobicContact CG2-SD 3.7Å; Y166-M250 PolarHBondContact N-O 2.81Å; V167-M250 HydrophobicContact CG2-SD 4.17Å; L248-M250 HydrophobicContact CG-CG 4Å; L248-M250 PolarHBondContact O-N 2.92Å; M250-T252 PolarHBondContact O-N 3.2Å
251V85.1Confident86.4Confident2 Ų247.9 Ų47.91%0.01226%0.259CS..EExtended strand (participates in β ladder)trans-72.2105.9175.1173.20000110.4V163 I165 L244 R245 L248 P249V163-V251 HydrophobicContact CG1-CB 4.29Å; V163-V251 HydrophobicContact CG1-CG1 3.64Å; V163-V251 HydrophobicContact CG1-CG2 3.71Å; I165-V251 HydrophobicContact CD1-CG2 4.48Å; I165-V251 HydrophobicContact CG1-CG2 4.32Å; L244-V251 HydrophobicContact CB-CG2 4.5Å; R245-V251 HydrophobicContact CG-CB 4.23Å; R245-V251 PolarHBondContact NE-O 3.14Å; L248-V251 HydrophobicContact CB-CG2 4.01Å; L248-V251 HydrophobicContact CD2-CG2 3.87Å; L248-V251 HydrophobicContact CG-CG2 4.23Å; L248-V251 WeakPolarHBondContact O-CB 3.19Å; L248-V251 VanDerWaalsContact O-CG2 3.31Å; L248-V251 WeakPolarHBondContact O-CG2 3.26Å; L248-V251 PolarHBondContact O-N 2.68Å; P249-V251 VanDerWaalsContact C-N 3.25Å; P249-V251 PolarHBondContact O-N 2.88Å
252T82.3Confident85.9Confident72 Ų7253.2 Ų53.244%0.44228%0.279SS..EExtended strand (participates in β ladder)trans-75.6-48.7179.5490000111.2S164 R245 M250S164-T252 PolarHBondContact O-N 3.22Å; S164-T252 PolarHBondContact O-OG1 3.41Å; S164-T252 VanDerWaalsContact O-OG1 3.07Å; S164-T252 PolarHBondContact OG-OG1 3.48Å; R245-T252 PolarHBondContact NH2-O 2.88Å; M250-T252 PolarHBondContact O-N 3.2Å
253A84.6Confident85.2Confident32 Ų3256.5 Ų56.526%0.26430%0.299SS..EExtended strand (participates in β ladder)trans-153.4176.3178.600000111.1S164S164-A253 PolarHBondContact N-O 2.98Å; S164-A253 WeakPolarHBondContact OG-CA 3.27Å; S164-A253 WeakPolarHBondContact OG-CB 3.39Å; S164-A253 PolarHBondContact OG-N 2.98Å; S164-A253 PolarHBondContact OG-O 2.67Å
254L87.1Confident84.5Confident0 Ų059.7 Ų59.70%032%0.322CS..EExtended strand (participates in β ladder)trans-125.973178.4-16870.3000109.2T161 V162 V163 R237 L240 I241 L244 L256 P257T161-L254 HydrophobicContact CG2-CD1 3.56Å; T161-L254 HydrophobicContact CG2-CG 4.36Å; V162-L254 CarbonylContact O-C 3.59Å; V163-L254 HydrophobicContact CB-CD1 4.17Å; V163-L254 HydrophobicContact CG1-CD1 4.22Å; V163-L254 HydrophobicContact CG2-CD1 3.72Å; R237-L254 PolarHBondContact NE-O 3.06Å; R237-L254 PolarHBondContact NH1-O 2.88Å; R237-L254 PolarHBondContact NH2-O 2.87Å; L240-L254 HydrophobicContact CB-CD2 4.3Å; L240-L254 HydrophobicContact CD2-CD2 3.61Å; L240-L254 HydrophobicContact CG-CD2 3.83Å; I241-L254 HydrophobicContact CD1-CB 3.78Å; I241-L254 HydrophobicContact CG1-CB 3.54Å; I241-L254 HydrophobicContact CG1-CD2 4.17Å; I241-L254 HydrophobicContact CG1-CG 4.48Å; L244-L254 HydrophobicContact CD1-CD1 3.82Å; L244-L254 HydrophobicContact CD1-CD2 4.37Å; L254-L256 PolarHBondContact O-N 3.33Å; L254-P257 HydrophobicContact CD2-CB 3.86Å; L254-P257 HydrophobicContact CG-CB 4.37Å
255P80.8Confident84.1Confident54 Ų5460.6 Ų60.635%0.35133%0.328SS..EExtended strand (participates in β ladder)trans-44.1-42.4-173.2-33.535000114.8V162 R237V162-P255 HydrophobicContact CG1-CB 4.4Å; V162-P255 VanDerWaalsContact O-CD 3.23Å; V162-P255 WeakPolarHBondContact O-CD 3.47Å; R237-P255 PolarHBondContact NH1-O 2.77Å
256L84.8Confident83.7Confident63 Ų6358.1 Ų58.133%0.3333%0.332SS..EExtended strand (participates in β ladder)trans-132101.8-179.1-144.3171.7000108.2V162 L254 V258 A259V162-L256 HydrophobicContact CB-CB 3.74Å; V162-L256 HydrophobicContact CG2-CB 3.74Å; V162-L256 HydrophobicContact CG2-CD1 4.26Å; V162-L256 PolarHBondContact N-O 3.1Å; V162-L256 PolarHBondContact O-N 2.95Å; L254-L256 PolarHBondContact O-N 3.33Å; L256-V258 WeakPolarHBondContact CD2-O 3.46Å; L256-A259 HydrophobicContact CD2-CB 3.76Å
257P81.4Confident83.3Confident33 Ų3356.1 Ų56.121%0.21433%0.328CS..EExtended strand (participates in β ladder)trans-68.6-40-169.525.9-33.9000112.8T161 L240 L254T161-P257 WeakPolarHBondContact CB-O 3.37Å; T161-P257 VanDerWaalsContact CG2-O 3.26Å; T161-P257 WeakPolarHBondContact CG2-O 3.46Å; T161-P257 PolarHBondContact OG1-O 2.85Å; L240-P257 HydrophobicContact CD2-CB 4.49Å; L254-P257 HydrophobicContact CD2-CB 3.86Å; L254-P257 HydrophobicContact CG-CB 4.37Å
258V88.1Confident82.9Confident15 Ų1552.7 Ų52.79%0.09132%0.319CS..EExtended strand (participates in β ladder)trans-158.7144178.1730000110.4V159 K160 A229 L232 M233 L256V159-V258 HydrophobicContact CG1-CG2 3.36Å; K160-V258 CarbonylContact O-C 3.46Å; K160-V258 WeakPolarHBondContact O-CA 3.41Å; A229-V258 HydrophobicContact CB-CG1 4.08Å; A229-V258 HydrophobicContact CB-CG2 4.11Å; L232-V258 HydrophobicContact CB-CB 4.16Å; L232-V258 HydrophobicContact CB-CG1 4.17Å; L232-V258 HydrophobicContact CB-CG2 4.38Å; L232-V258 HydrophobicContact CD1-CB 4.21Å; L232-V258 HydrophobicContact CD1-CG2 3.86Å; M233-V258 HydrophobicContact CG-CG1 3.82Å; L256-V258 WeakPolarHBondContact CD2-O 3.46Å
259A86.8Confident82.9Confident32 Ų3256.1 Ų56.126%0.26433%0.334SS..EExtended strand (participates in β ladder)trans-157.9163.1170.300000109.8K160 L256K160-A259 HydrophobicContact CB-CB 4.47Å; K160-A259 PolarHBondContact N-O 3.08Å; K160-A259 PolarHBondContact O-N 3.04Å; L256-A259 HydrophobicContact CD2-CB 3.76Å
260L86.1Confident83.2Confident70 Ų7052.2 Ų52.237%0.36631%0.306SS..EExtended strand (participates in β ladder)trans-67.6147167.6-66.7103000110.6P225 R262P225-L260 HydrophobicContact CB-CD2 3.85Å; P225-L260 HydrophobicContact CB-CG 4.05Å; P225-L260 HydrophobicContact CG-CD2 4.43Å; L260-R262 VanDerWaalsContact CB-O 3.32Å; L260-R262 WeakPolarHBondContact CB-O 3.45Å
261W84.5Confident83.6Confident77 Ų7749.4 Ų49.429%0.29229%0.292SS..SBendtrans-64.9-40.6177176.7-113.4000112.8W158 K160 A213W158-W261 HydrophobicContact CB-CB 3.65Å; W158-W261 HydrophobicContact CB-CG 3.91Å; W158-W261 AromaticContact CE3-CD1 3.81Å; W158-W261 HydrophobicContact CE3-CD2 4.18Å; W158-W261 AromaticContact CE3-CE2 3.87Å; W158-W261 HydrophobicContact CE3-CG 4.16Å; W158-W261 HydrophobicContact CE3-CZ2 4.46Å; W158-W261 AromaticContact CE3-NE1 3.62Å; W158-W261 HydrophobicContact CZ3-CZ2 4.49Å; W158-W261 WeakPolarHBondContact O-CB 3.38Å; W158-W261 PolarHBondContact O-N 2.86Å; W158-W261 VanDerWaalsContact O-N 3.07Å; K160-W261 HydrophobicContact CB-CE3 4.3Å; A213-W261 HydrophobicContact CB-CD2 4.41Å; A213-W261 HydrophobicContact CB-CE3 3.78Å; A213-W261 HydrophobicContact CB-CH2 4.16Å; A213-W261 HydrophobicContact CB-CZ3 3.65Å
262R80Confident83.9Confident123 Ų12351.9 Ų51.946%0.46430%0.303SS..SBendtrans-100.4141.9171-60-176179.2-161.61.9109.5E155 L260E155-R262 IonicContact OE2-CZ 2.78Å; E155-R262 IonicContact OE2-NE 3.84Å; E155-R262 PolarHBondContact OE2-NE 3.06Å; E155-R262 IonicContact OE2-NH2 2.68Å; E155-R262 PolarHBondContact OE2-NH2 2.78Å; L260-R262 VanDerWaalsContact CB-O 3.32Å; L260-R262 WeakPolarHBondContact CB-O 3.45Å
263S75.1Confident84.3Confident118 Ų11848.4 Ų48.483%0.82528%0.282SS*.PPolyproline II helixtrans-60.2135173.250.30000111.3
264S78.3Confident84.7Confident73 Ų7347.8 Ų47.851%0.5128%0.275SS..PPolyproline II helixtrans-61.4140.1167.149.60000110.4
265P81.8Confident84.9Confident19 Ų1947.8 Ų47.812%0.12328%0.275CS..PPolyproline II helixtrans-57.6156.9168.6-25.237.2000111.9F269 Q270 T336 F343P265-F269 HydrophobicContact CB-CB 4.33Å; P265-Q270 PolarHBondContact O-NE2 2.83Å; P265-T336 HydrophobicContact CB-CG2 4.15Å; P265-T336 HydrophobicContact CG-CG2 3.98Å; P265-F343 HydrophobicContact CB-CD1 4.23Å; P265-F343 HydrophobicContact CB-CE1 3.92Å; P265-F343 HydrophobicContact CB-CZ 4.12Å; P265-F343 HydrophobicContact CG-CD1 4.04Å; P265-F343 HydrophobicContact CG-CE1 3.26Å; P265-F343 HydrophobicContact CG-CE2 4.27Å; P265-F343 HydrophobicContact CG-CZ 3.4Å; P265-F343 VanDerWaalsContact CG-CZ 3.4Å
266A82.4Confident85.2Confident63 Ų6348.3 Ų48.352%0.52127%0.272SS..PPolyproline II helixtrans-59.5152.5176.400000111.8G268 F269A266-G268 VanDerWaalsContact C-N 3.32Å; A266-G268 PolarHBondContact O-N 3.34Å; A266-F269 HydrophobicContact CB-CD2 3.97Å; A266-F269 HydrophobicContact CB-CE2 4.17Å; A266-F269 PolarHBondContact O-N 2.99Å
267T80.7Confident85.1Confident73 Ų7351.4 Ų51.445%0.44828%0.283SS..G310 helixtrans-55.7-39.4-172.729.60000113.5F269 Q270 E377T267-F269 PolarHBondContact O-N 3.32Å; T267-Q270 WeakPolarHBondContact O-CB 3.4Å; T267-Q270 PolarHBondContact O-N 2.89Å; T267-E377 WeakPolarHBondContact CB-OE2 3.42Å; T267-E377 PolarHBondContact OG1-OE2 3.16Å
268G78.4Confident85.2Confident16 Ų1650.7 Ų50.717%0.16528%0.279CS..G310 helixtrans-62.4-2.6172.700000116.9A266 N345 G346 E377A266-G268 VanDerWaalsContact C-N 3.32Å; A266-G268 PolarHBondContact O-N 3.34Å; G268-N345 PolarHBondContact O-OD1 3.05Å; G268-G346 PolarHBondContact O-N 3.22Å; G268-E377 PolarHBondContact N-OE2 3.31Å
269F86.8Confident84.5Confident76 Ų7651.7 Ų51.733%0.33329%0.291SS..G310 helixtrans-106.5-2.9168.7-57.9-74.9000113.2P265 A266 T267 T336 F343 L344P265-F269 HydrophobicContact CB-CB 4.33Å; A266-F269 HydrophobicContact CB-CD2 3.97Å; A266-F269 HydrophobicContact CB-CE2 4.17Å; A266-F269 PolarHBondContact O-N 2.99Å; T267-F269 PolarHBondContact O-N 3.32Å; F269-T336 WeakPolarHBondContact O-CG2 3.24Å; F269-F343 HydrophobicContact CB-CB 4.27Å; F269-F343 HydrophobicContact CD1-CB 3.59Å; F269-F343 HydrophobicContact CE1-CB 4.07Å; F269-F343 HydrophobicContact CG-CB 3.94Å; F269-L344 WeakPolarHBondContact CD1-O 3.35Å
270Q90.6Very high83.7Confident25 Ų2555.8 Ų55.812%0.11733%0.326CS..EExtended strand (participates in β ladder)trans-97.8139.5-173.6-52.6-175.622.900112.2P265 T267 L320 V334 Y335 T336 L376P265-Q270 PolarHBondContact O-NE2 2.83Å; T267-Q270 WeakPolarHBondContact O-CB 3.4Å; T267-Q270 PolarHBondContact O-N 2.89Å; Q270-L320 HydrophobicContact CG-CD1 3.83Å; Q270-V334 HydrophobicContact CB-CG1 4.3Å; Q270-Y335 WeakPolarHBondContact CA-O 3.46Å; Q270-T336 HydrophobicContact CB-CG2 4.4Å; Q270-T336 HydrophobicContact CG-CG2 3.91Å; Q270-L376 HydrophobicContact CB-CB 4.27Å; Q270-L376 HydrophobicContact CB-CD1 3.75Å; Q270-L376 PolarHBondContact O-N 2.92Å
271L90.3Very high83.1Confident1 Ų156.2 Ų56.21%0.00535%0.347CS..EExtended strand (participates in β ladder)trans-117.7151.8176.7-75.4174.5000110.4F301 V334 Y335 V337 G346 A349 A373 E374 P375L271-F301 HydrophobicContact CD1-CE1 4.48Å; L271-F301 HydrophobicContact CD1-CZ 3.75Å; L271-V334 CarbonylContact O-C 3.51Å; L271-V334 VanDerWaalsContact O-CA 3.27Å; L271-V334 WeakPolarHBondContact O-CA 3.46Å; L271-Y335 HydrophobicContact CB-CD1 4.46Å; L271-Y335 HydrophobicContact CB-CD2 4.08Å; L271-Y335 HydrophobicContact CB-CE1 4.05Å; L271-Y335 HydrophobicContact CB-CE2 3.64Å; L271-Y335 HydrophobicContact CB-CG 4.47Å; L271-Y335 HydrophobicContact CD1-CD2 4.27Å; L271-Y335 HydrophobicContact CD1-CE2 3.45Å; L271-Y335 VanDerWaalsContact CD1-CE2 3.45Å; L271-Y335 HydrophobicContact CG-CE2 4.2Å; L271-Y335 PolarHBondContact N-O 2.98Å; L271-Y335 PolarHBondContact O-N 3.09Å; L271-V337 HydrophobicContact CD1-CG2 4.07Å; L271-G346 WeakPolarHBondContact CD2-O 3.42Å; L271-A349 HydrophobicContact CD1-CB 3.65Å; L271-A349 HydrophobicContact CG-CB 4.46Å; L271-A373 HydrophobicContact CD2-CB 4.31Å; L271-E374 CarbonylContact C-O 3.55Å; L271-E374 WeakPolarHBondContact CA-O 3.44Å; L271-P375 HydrophobicContact CD2-CB 4.36Å
272K90.9Very high83Confident54 Ų5454.6 Ų54.624%0.23534%0.344CS..EExtended strand (participates in β ladder)trans-123.8121.7176.5175.6-179.3158-138.80109.7V274 L333 A373 E374 L376K272-V274 HydrophobicContact CG-CG2 4.38Å; K272-L333 WeakPolarHBondContact CA-O 3.44Å; K272-A373 WeakPolarHBondContact O-CA 3.27Å; K272-E374 HydrophobicContact CB-CB 4.46Å; K272-E374 WeakPolarHBondContact CD-OE2 3.41Å; K272-E374 WeakPolarHBondContact CE-OE2 3.16Å; K272-E374 PolarHBondContact N-O 2.64Å; K272-E374 IonicContact NZ-OE2 2.73Å; K272-E374 PolarHBondContact NZ-OE2 2.81Å; K272-E374 PolarHBondContact O-N 3.32Å; K272-L376 HydrophobicContact CB-CD2 4.31Å; K272-L376 HydrophobicContact CB-CG 4.16Å; K272-L376 HydrophobicContact CD-CD2 4.17Å
273T91.5Very high83.3Confident0 Ų051.8 Ų51.80%034%0.338CS..EExtended strand (participates in β ladder)trans-116.5133.6170.2-65.70000107.6L275 L333 Y335 L365 P369 I371 I372T273-L275 HydrophobicContact CG2-CD2 3.85Å; T273-L275 HydrophobicContact CG2-CG 4.45Å; T273-L333 PolarHBondContact N-O 3.34Å; T273-L333 PolarHBondContact O-N 3.14Å; T273-Y335 WeakPolarHBondContact OG1-CE1 3.37Å; T273-Y335 PolarHBondContact OG1-OH 3.09Å; T273-L365 HydrophobicContact CG2-CD1 4.28Å; T273-P369 HydrophobicContact CG2-CB 4.41Å; T273-I371 WeakPolarHBondContact CA-O 3.13Å; T273-I371 WeakPolarHBondContact CG2-O 3.41Å; T273-I372 WeakPolarHBondContact CB-O 3.47Å; T273-I372 WeakPolarHBondContact CG2-O 3.41Å; T273-I372 PolarHBondContact OG1-O 2.76Å
274V91.8Very high83.8Confident19 Ų1946.8 Ų46.812%0.11530%0.303CS..EExtended strand (participates in β ladder)trans-112.8117.7176.8-177.60000108.6K272 A330 P369 L370 I371K272-V274 HydrophobicContact CG-CG2 4.38Å; V274-A330 HydrophobicContact CG1-CB 4.26Å; V274-P369 CarbonylContact O-C 3.58Å; V274-P369 VanDerWaalsContact O-CA 3.28Å; V274-P369 WeakPolarHBondContact O-CA 3.29Å; V274-L370 HydrophobicContact CB-CB 4.38Å; V274-L370 HydrophobicContact CG1-CB 4.27Å; V274-L370 HydrophobicContact CG1-CD1 4.18Å; V274-L370 PolarHBondContact O-N 3.26Å; V274-I371 HydrophobicContact CB-CB 4.06Å; V274-I371 HydrophobicContact CB-CD1 4.46Å; V274-I371 HydrophobicContact CB-CG1 4.25Å; V274-I371 HydrophobicContact CG2-CB 4.12Å; V274-I371 HydrophobicContact CG2-CD1 3.93Å; V274-I371 HydrophobicContact CG2-CG1 4.23Å; V274-I371 PolarHBondContact N-O 3.22Å; V274-I371 PolarHBondContact O-N 3.12Å
275L91.7Very high84.1Confident0 Ų049.7 Ų49.70%030%0.302CS..EExtended strand (participates in β ladder)trans-94.8142.2179-57.9-179.5000110.9T273 V278 M293 A330 V331 L333 L365 Y367 P369T273-L275 HydrophobicContact CG2-CD2 3.85Å; T273-L275 HydrophobicContact CG2-CG 4.45Å; L275-V278 HydrophobicContact CB-CG2 4.13Å; L275-V278 HydrophobicContact CD1-CG2 4.38Å; L275-M293 HydrophobicContact CD1-CE 3.9Å; L275-M293 HydrophobicContact CD1-SD 4.3Å; L275-A330 CarbonylContact O-C 3.49Å; L275-A330 VanDerWaalsContact O-CA 3.25Å; L275-A330 WeakPolarHBondContact O-CA 3.36Å; L275-V331 PolarHBondContact N-O 3.2Å; L275-V331 PolarHBondContact O-N 3.24Å; L275-L333 HydrophobicContact CD1-CD1 3.68Å; L275-L333 HydrophobicContact CD1-CG 4.34Å; L275-L333 HydrophobicContact CG-CD1 4.15Å; L275-L365 HydrophobicContact CD2-CD1 3.83Å; L275-Y367 HydrophobicContact CD1-CD2 3.85Å; L275-Y367 HydrophobicContact CD1-CG 4.36Å; L275-P369 HydrophobicContact CD2-CB 4.32Å
276Q87.7Confident84.5Confident64 Ų6449.5 Ų49.530%0.29930%0.302SS..SBendtrans-98.6152.6169.4-146.6-179.810.200110.1V278 P368 L370Q276-V278 PolarHBondContact O-N 3.16Å; Q276-P368 HydrophobicContact CB-CG 4.24Å; Q276-P368 PolarHBondContact N-O 2.94Å; Q276-L370 HydrophobicContact CB-CD1 4.45Å; Q276-L370 HydrophobicContact CB-CD2 4.31Å; Q276-L370 HydrophobicContact CB-CG 4.04Å; Q276-L370 HydrophobicContact CG-CD1 4.25Å; Q276-L370 HydrophobicContact CG-CD2 4.14Å; Q276-L370 HydrophobicContact CG-CG 4.18Å
277F81.4Confident84.8Confident128 Ų12846.5 Ų46.556%0.56128%0.277SS*.  trans5444.3169-49.7-61.2000115.1G279 P329 P368F277-G279 PolarHBondContact O-N 3.33Å; F277-P329 PolarHBondContact N-O 3.26Å; F277-P368 HydrophobicContact CD2-CG 4.19Å
278V83.6Confident85.2Confident19 Ų1949.4 Ų49.412%0.11528%0.28CS..  trans-62.9119.7166.2-179.90000108.1L275 Q276 D282 F289 V331 Y367L275-V278 HydrophobicContact CB-CG2 4.13Å; L275-V278 HydrophobicContact CD1-CG2 4.38Å; Q276-V278 PolarHBondContact O-N 3.16Å; V278-D282 HydrophobicContact CG1-CB 4.32Å; V278-F289 HydrophobicContact CG1-CE2 3.81Å; V278-F289 HydrophobicContact CG1-CZ 4.2Å; V278-F289 HydrophobicContact CG2-CZ 4.33Å; V278-V331 HydrophobicContact CB-CG2 3.93Å; V278-V331 HydrophobicContact CG2-CB 3.89Å; V278-V331 HydrophobicContact CG2-CG2 3.61Å; V278-Y367 HydrophobicContact CG1-CE1 4.36Å; V278-Y367 HydrophobicContact CG2-CD1 4.33Å; V278-Y367 HydrophobicContact CG2-CG 4.3Å
279G75Confident85.8Confident35 Ų3548.7 Ų48.736%0.36127%0.272SS..  trans-71.5149-170.400000113F277 G281 D282F277-G279 PolarHBondContact O-N 3.33Å; G279-G281 PolarHBondContact O-N 3.29Å; G279-D282 PolarHBondContact O-N 2.97Å
280A70.1Confident85.9Confident119 Ų11945.9 Ų45.998%0.98326%0.261SS*.THydrogen-bonded Turntrans-62.5-7.7-174.800000115.8
281G72.4Confident85.9Confident78 Ų7846.4 Ų46.480%0.80426%0.263SS*.THydrogen-bonded Turntrans-86.3-14.3171.500000114.7G279G279-G281 PolarHBondContact O-N 3.29Å
282D82.7Confident86Confident43 Ų4347.9 Ų47.923%0.2327%0.27CS..SBendtrans-11390.1-179.5-71.1-54.7000109.8V278 G279 P284 F289 M292 Y367V278-D282 HydrophobicContact CG1-CB 4.32Å; G279-D282 PolarHBondContact O-N 2.97Å; D282-P284 VanDerWaalsContact O-CD 3.3Å; D282-P284 WeakPolarHBondContact O-CD 3.31Å; D282-F289 HydrophobicContact CB-CD2 4.11Å; D282-M292 HydrophobicContact CB-CE 4.39Å; D282-M292 WeakPolarHBondContact OD1-CE 3.48Å; D282-Y367 VanDerWaalsContact CG-OH 3.26Å; D282-Y367 PolarHBondContact OD2-OH 3.17Å
283D85.1Confident86Confident65 Ų6545.3 Ų45.335%0.34826%0.259SS..  trans-65.1117.5177.8172.622.9000111.1R285 S286 F289D283-R285 PolarHBondContact O-N 3.2Å; D283-R285 VanDerWaalsContact OD1-CB 3.31Å; D283-R285 WeakPolarHBondContact OD1-CB 3.3Å; D283-R285 PolarHBondContact OD1-N 3.24Å; D283-S286 VanDerWaalsContact O-CB 3.3Å; D283-S286 WeakPolarHBondContact O-CB 3.11Å; D283-S286 PolarHBondContact O-N 3.37Å; D283-S286 PolarHBondContact O-OG 3.38Å; D283-F289 VanDerWaalsContact O-CB 3.3Å; D283-F289 WeakPolarHBondContact O-CB 3.08Å
284P85.6Confident86Confident13 Ų1346.5 Ų46.58%0.08426%0.264CS..THydrogen-bonded Turntrans-65.9-15.6177.728.2-35.3000113.3D282 S286 F289 V322 V331D282-P284 VanDerWaalsContact O-CD 3.3Å; D282-P284 WeakPolarHBondContact O-CD 3.31Å; P284-S286 VanDerWaalsContact C-N 3.27Å; P284-F289 HydrophobicContact CB-CD1 4.19Å; P284-F289 HydrophobicContact CB-CE1 4.06Å; P284-V322 HydrophobicContact CB-CG1 3.83Å; P284-V322 WeakPolarHBondContact O-CG1 3.32Å; P284-V331 HydrophobicContact CB-CG1 4Å; P284-V331 HydrophobicContact CB-CG2 4.11Å; P284-V331 HydrophobicContact CG-CG2 4.24Å
285R86.3Confident86.1Confident133 Ų13352 Ų5250%0.50229%0.289SS..THydrogen-bonded Turntrans-83.60.8172.6-54.6177.5-179.9-176.5-0.4113.1Y223 P224 V227 D283Y223-R285 HydrophobicContact CD1-CB 4.34Å; Y223-R285 WeakPolarHBondContact CD1-O 3.23Å; Y223-R285 HydrophobicContact CE1-CB 4.34Å; P224-R285 WeakPolarHBondContact CD-O 2.93Å; V227-R285 HydrophobicContact CG1-CB 4.25Å; V227-R285 HydrophobicContact CG1-CG 4.25Å; V227-R285 HydrophobicContact CG2-CB 4.31Å; V227-R285 HydrophobicContact CG2-CG 4.24Å; D283-R285 PolarHBondContact O-N 3.2Å; D283-R285 VanDerWaalsContact OD1-CB 3.31Å; D283-R285 WeakPolarHBondContact OD1-CB 3.3Å; D283-R285 PolarHBondContact OD1-N 3.24Å
286S88.9Confident86.1Confident15 Ų1554.6 Ų54.611%0.10530%0.299CS..SBendtrans-91.5139.9178.576.70000113.1D283 P284 R288 F289 L290D283-S286 VanDerWaalsContact O-CB 3.3Å; D283-S286 WeakPolarHBondContact O-CB 3.11Å; D283-S286 PolarHBondContact O-N 3.37Å; D283-S286 PolarHBondContact O-OG 3.38Å; P284-S286 VanDerWaalsContact C-N 3.27Å; S286-R288 PolarHBondContact O-N 3.25Å; S286-F289 PolarHBondContact O-N 3.17Å; S286-F289 WeakPolarHBondContact OG-CB 3.08Å; S286-F289 PolarHBondContact OG-N 2.94Å; S286-F289 VanDerWaalsContact OG-N 3.09Å; S286-L290 PolarHBondContact O-N 2.71Å
287C89.5Confident86.4Confident1 Ų151.5 Ų51.51%0.00728%0.284CS..Hα-helixtrans-55.8-34.6168.6-179.20000112.2C151 L157 V222 L290 Q291C151-C287 HydrophobicContact CB-CB 3.71Å; C151-C287 WeakPolarHBondContact CB-SG 3.03Å; C151-C287 WeakPolarHBondContact SG-CB 3.29Å; C151-C287 PolarHBondContact SG-O 3.44Å; C151-C287 CovalentContact SG-SG 2.02Å; C151-C287 PolarHBondContact SG-SG 3.14Å; L157-C287 WeakPolarHBondContact CD1-SG 3.32Å; L157-C287 HydrophobicContact CD2-CB 4.19Å; L157-C287 WeakPolarHBondContact CD2-SG 3.38Å; V222-C287 HydrophobicContact CB-CB 3.74Å; V222-C287 HydrophobicContact CG1-CB 4.25Å; V222-C287 WeakPolarHBondContact O-CB 3.5Å; V222-C287 PolarHBondContact O-N 2.73Å; C287-L290 PolarHBondContact O-N 2.85Å; C287-Q291 PolarHBondContact O-N 3.4Å
288R89.4Confident87Confident134 Ų13449.4 Ų49.451%0.50628%0.276SS..Hα-helixtrans-62.2-45.2177.6175.1175.4156.2176.9-9.1111.6S286 L290 M292S286-R288 PolarHBondContact O-N 3.25Å; R288-L290 VanDerWaalsContact C-N 3.35Å; R288-M292 WeakPolarHBondContact O-CB 3.5Å; R288-M292 PolarHBondContact O-N 3.31Å
289F90.1Very high87.3Confident1 Ų154.4 Ų54.40%0.00430%0.297CS..Hα-helixtrans-61.2-43.4173.1176.8-100.2000111.4V278 D282 D283 P284 S286 M292 M293 V322 V331 L333 Y367V278-F289 HydrophobicContact CG1-CE2 3.81Å; V278-F289 HydrophobicContact CG1-CZ 4.2Å; V278-F289 HydrophobicContact CG2-CZ 4.33Å; D282-F289 HydrophobicContact CB-CD2 4.11Å; D283-F289 VanDerWaalsContact O-CB 3.3Å; D283-F289 WeakPolarHBondContact O-CB 3.08Å; P284-F289 HydrophobicContact CB-CD1 4.19Å; P284-F289 HydrophobicContact CB-CE1 4.06Å; S286-F289 PolarHBondContact O-N 3.17Å; S286-F289 WeakPolarHBondContact OG-CB 3.08Å; S286-F289 PolarHBondContact OG-N 2.94Å; S286-F289 VanDerWaalsContact OG-N 3.09Å; F289-M292 HydrophobicContact CD2-CE 4Å; F289-M292 HydrophobicContact CD2-SD 4.36Å; F289-M292 PolarHBondContact O-N 3.45Å; F289-M293 HydrophobicContact CD1-CG 4.27Å; F289-M293 HydrophobicContact CD2-CG 4.17Å; F289-M293 HydrophobicContact CE1-CG 3.91Å; F289-M293 HydrophobicContact CE2-CG 3.79Å; F289-M293 HydrophobicContact CE2-SD 4.25Å; F289-M293 HydrophobicContact CG-CG 4.41Å; F289-M293 HydrophobicContact CZ-CG 3.65Å; F289-M293 HydrophobicContact CZ-SD 4.36Å; F289-M293 WeakPolarHBondContact O-CB 3.24Å; F289-M293 WeakPolarHBondContact O-CG 3.35Å; F289-M293 PolarHBondContact O-N 2.75Å; F289-V322 HydrophobicContact CD1-CG1 4.31Å; F289-V322 HydrophobicContact CE1-CG1 3.94Å; F289-V331 HydrophobicContact CE1-CG1 4.25Å; F289-V331 HydrophobicContact CZ-CG1 4.4Å; F289-L333 HydrophobicContact CE1-CD2 3.97Å; F289-Y367 AromaticContact CE2-CE2 3.85Å; F289-Y367 HydrophobicContact CE2-CE2 3.85Å
290L90.3Very high88.2Confident17 Ų1752.8 Ų52.89%0.08928%0.279CS..Hα-helixtrans-59.6-49.4177.9-170.1154.6000112.1P224 S286 C287 R288 M292 M293 E294 I319 V322P224-L290 HydrophobicContact CB-CD1 3.77Å; S286-L290 PolarHBondContact O-N 2.71Å; C287-L290 PolarHBondContact O-N 2.85Å; R288-L290 VanDerWaalsContact C-N 3.35Å; L290-M292 PolarHBondContact O-N 2.85Å; L290-M293 PolarHBondContact O-N 3.43Å; L290-E294 HydrophobicContact CD2-CG 4.05Å; L290-E294 PolarHBondContact O-N 2.79Å; L290-I319 HydrophobicContact CD1-CB 4.29Å; L290-I319 HydrophobicContact CD1-CG2 3.9Å; L290-I319 HydrophobicContact CD2-CB 4.17Å; L290-I319 HydrophobicContact CG-CB 3.97Å; L290-I319 HydrophobicContact CG-CD1 4.27Å; L290-I319 HydrophobicContact CG-CG2 3.95Å; L290-V322 HydrophobicContact CD1-CG2 4.35Å
291Q90.1Very high89.3Confident35 Ų3547.1 Ų47.116%0.16423%0.233CC..Hα-helixtrans-67.7-36.2179.3-71.3-171.9-4.800112.8C151 N152 C287 E294 Q295C151-Q291 PolarHBondContact SG-NE2 2.93Å; C151-Q291 VanDerWaalsContact SG-NE2 3.39Å; C151-Q291 PolarHBondContact SG-OE1 2.82Å; C151-Q291 VanDerWaalsContact SG-OE1 3.37Å; N152-Q291 PolarHBondContact O-NE2 2.79Å; C287-Q291 PolarHBondContact O-N 3.4Å; Q291-E294 PolarHBondContact O-N 3.41Å; Q291-Q295 WeakPolarHBondContact O-CG 3.31Å; Q291-Q295 PolarHBondContact O-N 3.11Å; Q291-Q295 VanDerWaalsContact O-N 3.11Å
292M91Very high90.1Very high32 Ų3245.9 Ų45.916%0.15821%0.212CC..Hα-helixtrans-62.4-42.2173.1174-116.8-76.700111.5D282 R288 F289 L290 R296 Y367D282-M292 HydrophobicContact CB-CE 4.39Å; D282-M292 WeakPolarHBondContact OD1-CE 3.48Å; R288-M292 WeakPolarHBondContact O-CB 3.5Å; R288-M292 PolarHBondContact O-N 3.31Å; F289-M292 HydrophobicContact CD2-CE 4Å; F289-M292 HydrophobicContact CD2-SD 4.36Å; F289-M292 PolarHBondContact O-N 3.45Å; L290-M292 PolarHBondContact O-N 2.85Å; M292-R296 WeakPolarHBondContact O-CB 3.48Å; M292-R296 VanDerWaalsContact O-CG 3.29Å; M292-R296 WeakPolarHBondContact O-CG 3.34Å; M292-R296 PolarHBondContact O-N 3.01Å; M292-R296 PolarHBondContact SD-NH1 2.81Å; M292-R296 PolarHBondContact SD-NH2 2.87Å; M292-R296 VanDerWaalsContact SD-NH2 3.41Å; M292-Y367 HydrophobicContact SD-CE2 4.39Å
293M92.2Very high90.5Very high0 Ų047 Ų470%022%0.216CC..Hα-helixtrans-73.6-35.6177-72.2-52.8-48.700113.4L275 F289 L290 R296 L297 I319 L333 L365 Y367L275-M293 HydrophobicContact CD1-CE 3.9Å; L275-M293 HydrophobicContact CD1-SD 4.3Å; F289-M293 HydrophobicContact CD1-CG 4.27Å; F289-M293 HydrophobicContact CD2-CG 4.17Å; F289-M293 HydrophobicContact CE1-CG 3.91Å; F289-M293 HydrophobicContact CE2-CG 3.79Å; F289-M293 HydrophobicContact CE2-SD 4.25Å; F289-M293 HydrophobicContact CG-CG 4.41Å; F289-M293 HydrophobicContact CZ-CG 3.65Å; F289-M293 HydrophobicContact CZ-SD 4.36Å; F289-M293 WeakPolarHBondContact O-CB 3.24Å; F289-M293 WeakPolarHBondContact O-CG 3.35Å; F289-M293 PolarHBondContact O-N 2.75Å; L290-M293 PolarHBondContact O-N 3.43Å; M293-R296 PolarHBondContact O-N 2.91Å; M293-L297 WeakPolarHBondContact O-CB 3.4Å; M293-L297 WeakPolarHBondContact O-CG 3.17Å; M293-L297 PolarHBondContact O-N 3.12Å; M293-I319 HydrophobicContact CB-CD1 3.67Å; M293-L333 HydrophobicContact CB-CD1 4.41Å; M293-L333 HydrophobicContact CE-CD1 3.8Å; M293-L333 HydrophobicContact CG-CD1 4.36Å; M293-L365 HydrophobicContact CE-CB 4.14Å; M293-L365 HydrophobicContact CE-CD1 4.22Å; M293-L365 HydrophobicContact CE-CD2 3.83Å; M293-L365 HydrophobicContact CE-CG 4.26Å; M293-Y367 HydrophobicContact SD-CD2 3.91Å; M293-Y367 HydrophobicContact SD-CE2 3.68Å
294E92.1Very high90.6Very high25 Ų2543.9 Ų43.912%0.11720%0.199CC..Hα-helixtrans-56.8-49.5170.7-78.8-174.2152.100110.8R156 L290 Q291 L297 E298 Q318 I319R156-E294 IonicContact NH1-OE1 3.82Å; L290-E294 HydrophobicContact CD2-CG 4.05Å; L290-E294 PolarHBondContact O-N 2.79Å; Q291-E294 PolarHBondContact O-N 3.41Å; E294-L297 PolarHBondContact O-N 2.95Å; E294-E298 WeakPolarHBondContact O-CB 3.43Å; E294-E298 PolarHBondContact O-N 2.96Å; E294-Q318 VanDerWaalsContact OE1-CA 3.26Å; E294-Q318 WeakPolarHBondContact OE1-CA 3.49Å; E294-I319 HydrophobicContact CG-CB 4.07Å; E294-I319 HydrophobicContact CG-CD1 3.88Å; E294-I319 HydrophobicContact CG-CG1 3.73Å; E294-I319 PolarHBondContact OE1-N 3.24Å
295Q92.2Very high90.8Very high136 Ų13644 Ų4464%0.63620%0.198SC*.Hα-helixtrans-64-41178.7-70.1173.311.400113Q291 E298 K299Q291-Q295 WeakPolarHBondContact O-CG 3.31Å; Q291-Q295 PolarHBondContact O-N 3.11Å; Q291-Q295 VanDerWaalsContact O-N 3.11Å; Q295-E298 PolarHBondContact O-N 3.28Å; Q295-K299 PolarHBondContact O-N 3.49Å; Q295-K299 VanDerWaalsContact O-N 3.1Å
296R92.9Very high90.8Very high53 Ų5339.3 Ų39.320%0.219%0.188CC..Hα-helixtrans-65.1-46.2176.8-74175.4-178.8175.39.3111.2M292 M293 K299 V300 L365 Y367M292-R296 WeakPolarHBondContact O-CB 3.48Å; M292-R296 VanDerWaalsContact O-CG 3.29Å; M292-R296 WeakPolarHBondContact O-CG 3.34Å; M292-R296 PolarHBondContact O-N 3.01Å; M292-R296 PolarHBondContact SD-NH1 2.81Å; M292-R296 PolarHBondContact SD-NH2 2.87Å; M292-R296 VanDerWaalsContact SD-NH2 3.41Å; M293-R296 PolarHBondContact O-N 2.91Å; R296-K299 WeakPolarHBondContact O-CB 3.36Å; R296-K299 PolarHBondContact O-N 2.85Å; R296-V300 WeakPolarHBondContact O-CG2 3.45Å; R296-V300 PolarHBondContact O-N 3.2Å; R296-L365 HydrophobicContact CB-CD2 3.89Å; R296-L365 WeakPolarHBondContact CD-O 3.33Å; R296-L365 PolarHBondContact NH1-O 3.2Å; R296-Y367 PolarHBondContact NH1-OH 3.45Å
297L93.4Very high90.6Very high0 Ų043.9 Ų43.90%021%0.206CC..Hα-helixtrans-60.4-44.9175.1-75.4163.8000111.6M293 E294 K299 V300 F301 V317 I319 Y335 L365M293-L297 WeakPolarHBondContact O-CB 3.4Å; M293-L297 WeakPolarHBondContact O-CG 3.17Å; M293-L297 PolarHBondContact O-N 3.12Å; E294-L297 PolarHBondContact O-N 2.95Å; L297-K299 VanDerWaalsContact C-N 3.26Å; L297-K299 PolarHBondContact O-N 3.43Å; L297-V300 PolarHBondContact O-N 3.18Å; L297-F301 VanDerWaalsContact O-CD2 3.31Å; L297-F301 WeakPolarHBondContact O-CD2 3.22Å; L297-F301 PolarHBondContact O-N 3.08Å; L297-V317 HydrophobicContact CB-CB 4.26Å; L297-V317 HydrophobicContact CB-CG1 3.92Å; L297-V317 HydrophobicContact CB-CG2 4Å; L297-V317 HydrophobicContact CD1-CG1 4.15Å; L297-I319 HydrophobicContact CD1-CD1 4.3Å; L297-I319 HydrophobicContact CD1-CG1 4.39Å; L297-Y335 HydrophobicContact CD1-CD1 4.09Å; L297-Y335 HydrophobicContact CD1-CD2 4.48Å; L297-Y335 HydrophobicContact CD1-CE1 4.24Å; L297-Y335 HydrophobicContact CD1-CG 4.21Å; L297-Y335 HydrophobicContact CD2-CE1 4.4Å; L297-Y335 HydrophobicContact CD2-CE2 4.48Å; L297-L365 HydrophobicContact CD2-CD1 4.2Å; L297-L365 HydrophobicContact CD2-CD2 3.86Å; L297-L365 HydrophobicContact CG-CD2 3.96Å
298E93.1Very high90.2Very high84 Ų8445.4 Ų45.439%0.39322%0.215SC..Hα-helixtrans-57.3-39176.8-166.7173.5137.900112.2E294 Q295 S302 L315 V317E294-E298 WeakPolarHBondContact O-CB 3.43Å; E294-E298 PolarHBondContact O-N 2.96Å; Q295-E298 PolarHBondContact O-N 3.28Å; E298-S302 WeakPolarHBondContact O-CB 3.37Å; E298-S302 PolarHBondContact O-N 2.97Å; E298-S302 PolarHBondContact O-OG 3.45Å; E298-L315 VanDerWaalsContact CG-O 3.24Å; E298-L315 WeakPolarHBondContact CG-O 3.29Å; E298-V317 HydrophobicContact CB-CG2 4.24Å
299K91.8Very high89.7Confident124 Ų12443.8 Ų43.854%0.53922%0.216SC..Hα-helixtrans-65.6-40.5172.6-170-179.4177.9-174.90112.8Q295 R296 L297 S302 E303 F364Q295-K299 PolarHBondContact O-N 3.49Å; Q295-K299 VanDerWaalsContact O-N 3.1Å; R296-K299 WeakPolarHBondContact O-CB 3.36Å; R296-K299 PolarHBondContact O-N 2.85Å; L297-K299 VanDerWaalsContact C-N 3.26Å; L297-K299 PolarHBondContact O-N 3.43Å; K299-S302 WeakPolarHBondContact CA-OG 3.48Å; K299-S302 PolarHBondContact O-OG 3.18Å; K299-E303 WeakPolarHBondContact O-CB 3.08Å; K299-E303 PolarHBondContact O-N 3.02Å; K299-F364 HydrophobicContact CD-CD1 4.3Å
300V93.1Very high89.2Confident0 Ų050.6 Ų50.60%025%0.253CS..Hα-helixtrans-67-43.5176.5-155.20000111.1R296 L297 E303 A304 L353 F356 V361 F364 L365R296-V300 WeakPolarHBondContact O-CG2 3.45Å; R296-V300 PolarHBondContact O-N 3.2Å; L297-V300 PolarHBondContact O-N 3.18Å; V300-E303 PolarHBondContact O-N 3.35Å; V300-A304 VanDerWaalsContact O-CB 3.24Å; V300-A304 WeakPolarHBondContact O-CB 3.46Å; V300-A304 PolarHBondContact O-N 2.76Å; V300-L353 HydrophobicContact CB-CD2 3.86Å; V300-L353 HydrophobicContact CG1-CD2 3.43Å; V300-L353 VanDerWaalsContact CG1-CD2 3.43Å; V300-F356 HydrophobicContact CG1-CD2 3.97Å; V300-F356 HydrophobicContact CG1-CE2 4.14Å; V300-V361 HydrophobicContact CG1-CG1 4.47Å; V300-V361 HydrophobicContact CG1-CG2 4.28Å; V300-F364 HydrophobicContact CB-CB 4.47Å; V300-F364 HydrophobicContact CG1-CB 4.48Å; V300-F364 HydrophobicContact CG1-CD2 4.01Å; V300-F364 HydrophobicContact CG2-CB 3.53Å; V300-F364 HydrophobicContact CG2-CG 4.3Å; V300-L365 HydrophobicContact CG2-CD2 3.6Å; V300-L365 HydrophobicContact CG2-CG 4.24Å
301F92.2Very high88.5Confident0 Ų051.6 Ų51.60%026%0.263CS..Hα-helixtrans-65.3-39-179.5-87.8-73.2000113.2L271 L297 A304 Q305 L315 V317 Y335 V337 A349 L353L271-F301 HydrophobicContact CD1-CE1 4.48Å; L271-F301 HydrophobicContact CD1-CZ 3.75Å; L297-F301 VanDerWaalsContact O-CD2 3.31Å; L297-F301 WeakPolarHBondContact O-CD2 3.22Å; L297-F301 PolarHBondContact O-N 3.08Å; F301-A304 PolarHBondContact O-N 3.01Å; F301-Q305 WeakPolarHBondContact O-CB 3.49Å; F301-Q305 PolarHBondContact O-N 3.33Å; F301-L315 HydrophobicContact CB-CB 4.39Å; F301-L315 HydrophobicContact CB-CD1 4.04Å; F301-L315 HydrophobicContact CD1-CD1 4.45Å; F301-V317 HydrophobicContact CD2-CG2 3.68Å; F301-V317 HydrophobicContact CE2-CG2 4.24Å; F301-V317 HydrophobicContact CG-CG2 4.47Å; F301-Y335 HydrophobicContact CE2-CD2 4.49Å; F301-Y335 AromaticContact CE2-CE2 3.61Å; F301-Y335 HydrophobicContact CE2-CE2 3.61Å; F301-Y335 AromaticContact CZ-CE2 3.87Å; F301-Y335 HydrophobicContact CZ-CE2 3.87Å; F301-V337 HydrophobicContact CD1-CG1 4.31Å; F301-V337 HydrophobicContact CD1-CG2 4.24Å; F301-V337 HydrophobicContact CD2-CG2 4.13Å; F301-V337 HydrophobicContact CE1-CG2 3.79Å; F301-V337 HydrophobicContact CE2-CG2 3.69Å; F301-V337 HydrophobicContact CG-CG1 4.39Å; F301-V337 HydrophobicContact CG-CG2 4.41Å; F301-V337 HydrophobicContact CZ-CG2 3.5Å; F301-A349 HydrophobicContact CE1-CB 4.09Å; F301-A349 WeakPolarHBondContact CE1-O 3.21Å; F301-L353 HydrophobicContact CD1-CD2 4.45Å; F301-L353 HydrophobicContact CD1-CG 4.2Å; F301-L353 HydrophobicContact CD2-CD1 4.28Å; F301-L353 HydrophobicContact CE1-CD1 3.95Å; F301-L353 HydrophobicContact CE1-CD2 4.39Å; F301-L353 HydrophobicContact CE1-CG 3.67Å; F301-L353 HydrophobicContact CE2-CD1 3.49Å; F301-L353 VanDerWaalsContact CE2-CD1 3.49Å; F301-L353 HydrophobicContact CE2-CG 4.05Å; F301-L353 HydrophobicContact CZ-CD1 3.28Å; F301-L353 HydrophobicContact CZ-CD2 4.42Å; F301-L353 HydrophobicContact CZ-CG 3.57Å
302S90Very high87.8Confident53 Ų5359.6 Ų59.637%0.37130%0.297SS..Hα-helixtrans-69.8-38.9176.647.90000112.5E298 K299 A306E298-S302 WeakPolarHBondContact O-CB 3.37Å; E298-S302 PolarHBondContact O-N 2.97Å; E298-S302 PolarHBondContact O-OG 3.45Å; K299-S302 WeakPolarHBondContact CA-OG 3.48Å; K299-S302 PolarHBondContact O-OG 3.18Å; S302-A306 WeakPolarHBondContact O-CB 3.25Å; S302-A306 PolarHBondContact O-N 2.81Å
303E90.3Very high87.2Confident66 Ų6659.5 Ų59.531%0.30830%0.3SS..Hα-helixtrans-66.5-40.6172.1-17867-175.500112K299 V300 A306 K307 F356 F364K299-E303 WeakPolarHBondContact O-CB 3.08Å; K299-E303 PolarHBondContact O-N 3.02Å; V300-E303 PolarHBondContact O-N 3.35Å; E303-A306 PolarHBondContact O-N 3.44Å; E303-K307 HydrophobicContact CG-CD 4.39Å; E303-K307 PolarHBondContact O-N 3.35Å; E303-K307 WeakPolarHBondContact OE1-CE 3.22Å; E303-K307 IonicContact OE1-NZ 3.97Å; E303-K307 PolarHBondContact OE1-NZ 2.96Å; E303-F356 HydrophobicContact CB-CE2 4.37Å; E303-F356 HydrophobicContact CB-CZ 4.47Å; E303-F356 HydrophobicContact CG-CE2 4.09Å; E303-F356 HydrophobicContact CG-CZ 3.95Å; E303-F364 HydrophobicContact CB-CZ 4.43Å; E303-F364 HydrophobicContact CG-CE2 4.07Å; E303-F364 HydrophobicContact CG-CZ 3.82Å
304A89.2Confident86.8Confident0 Ų070.2 Ų70.20%034%0.341CS..Hα-helixtrans-60.8-48.317400000111.3V300 F301 A306 K307 V308 L352 L353 F356V300-A304 VanDerWaalsContact O-CB 3.24Å; V300-A304 WeakPolarHBondContact O-CB 3.46Å; V300-A304 PolarHBondContact O-N 2.76Å; F301-A304 PolarHBondContact O-N 3.01Å; A304-A306 VanDerWaalsContact C-N 3.32Å; A304-A306 PolarHBondContact O-N 2.84Å; A304-K307 PolarHBondContact O-N 2.89Å; A304-V308 VanDerWaalsContact O-CB 3.26Å; A304-V308 WeakPolarHBondContact O-CB 3.22Å; A304-V308 VanDerWaalsContact O-CG2 3.25Å; A304-V308 WeakPolarHBondContact O-CG2 3.36Å; A304-V308 PolarHBondContact O-N 2.98Å; A304-L352 HydrophobicContact CB-CB 4.37Å; A304-L353 HydrophobicContact CB-CD2 4.34Å; A304-F356 HydrophobicContact CB-CD2 4.41Å; A304-F356 HydrophobicContact CB-CE1 4.5Å; A304-F356 HydrophobicContact CB-CE2 3.83Å; A304-F356 HydrophobicContact CB-CZ 3.89Å
305Q88.6Confident86.7Confident15 Ų1569.2 Ų69.27%0.0734%0.336CS..Hα-helixtrans-62.7-39.3177.6-163.6-178.843.700112.5F301 K307 L309 N310 A311 S313 L315F301-Q305 WeakPolarHBondContact O-CB 3.49Å; F301-Q305 PolarHBondContact O-N 3.33Å; Q305-K307 VanDerWaalsContact C-N 3.34Å; Q305-K307 PolarHBondContact O-N 3.33Å; Q305-L309 HydrophobicContact CG-CB 4.18Å; Q305-L309 HydrophobicContact CG-CD1 4.14Å; Q305-L309 HydrophobicContact CG-CG 4.48Å; Q305-L309 PolarHBondContact O-N 3.04Å; Q305-N310 PolarHBondContact O-N 2.82Å; Q305-A311 CarbonylContact C-O 3.55Å; Q305-A311 HydrophobicContact CG-CB 4.39Å; Q305-A311 WeakPolarHBondContact CG-O 3.48Å; Q305-S313 PolarHBondContact NE2-OG 3.14Å; Q305-S313 VanDerWaalsContact OE1-CB 3.29Å; Q305-S313 PolarHBondContact OE1-O 3.32Å; Q305-S313 PolarHBondContact OE1-OG 2.84Å; Q305-L315 HydrophobicContact CB-CD1 4.09Å; Q305-L315 HydrophobicContact CG-CD1 4.5Å
306A86.9Confident86.7Confident34 Ų3464.4 Ų64.428%0.28132%0.32SS..Hα-helixtrans-63.1-38177.800000112.5S302 E303 A304 N310S302-A306 WeakPolarHBondContact O-CB 3.25Å; S302-A306 PolarHBondContact O-N 2.81Å; E303-A306 PolarHBondContact O-N 3.44Å; A304-A306 VanDerWaalsContact C-N 3.32Å; A304-A306 PolarHBondContact O-N 2.84Å; A306-N310 WeakPolarHBondContact O-CA 3.45Å
307K84.6Confident86.7Confident111 Ų11162.2 Ų62.248%0.48331%0.312SS..Hα-helixtrans-81.8-40.6178-81.1166.7168.4157.10113.9E303 A304 Q305 F356E303-K307 HydrophobicContact CG-CD 4.39Å; E303-K307 PolarHBondContact O-N 3.35Å; E303-K307 WeakPolarHBondContact OE1-CE 3.22Å; E303-K307 IonicContact OE1-NZ 3.97Å; E303-K307 PolarHBondContact OE1-NZ 2.96Å; A304-K307 PolarHBondContact O-N 2.89Å; Q305-K307 VanDerWaalsContact C-N 3.34Å; Q305-K307 PolarHBondContact O-N 3.33Å; K307-F356 HydrophobicContact CB-CE1 4.16Å; K307-F356 HydrophobicContact CB-CZ 4.43Å; K307-F356 HydrophobicContact CD-CE1 3.65Å; K307-F356 HydrophobicContact CD-CZ 3.69Å
308V81.5Confident86.6Confident34 Ų3463.5 Ų63.521%0.20632%0.318CS..Hα-helixtrans-83.6-48.6-173175.30000112.1A304 L352 Q355A304-V308 VanDerWaalsContact O-CB 3.26Å; A304-V308 WeakPolarHBondContact O-CB 3.22Å; A304-V308 VanDerWaalsContact O-CG2 3.25Å; A304-V308 WeakPolarHBondContact O-CG2 3.36Å; A304-V308 PolarHBondContact O-N 2.98Å; V308-L352 HydrophobicContact CB-CD2 4.16Å; V308-L352 HydrophobicContact CG1-CD2 3.99Å; V308-Q355 VanDerWaalsContact CG1-NE2 3.26Å; V308-Q355 HydrophobicContact CG2-CB 3.88Å; V308-Q355 HydrophobicContact CG2-CG 4.38Å
309L77.6Confident86.5Confident99 Ų9959.9 Ų59.952%0.51830%0.301SS..THydrogen-bonded Turntrans-103.1-2.7-173.7-62.2-175.7000113.3Q305 A311 L352Q305-L309 HydrophobicContact CG-CB 4.18Å; Q305-L309 HydrophobicContact CG-CD1 4.14Å; Q305-L309 HydrophobicContact CG-CG 4.48Å; Q305-L309 PolarHBondContact O-N 3.04Å; L309-A311 HydrophobicContact CB-CB 4.01Å; L309-A311 PolarHBondContact O-N 3.26Å; L309-L352 HydrophobicContact CD1-CD2 4.06Å; L309-L352 HydrophobicContact CG-CD2 4.08Å
310N79.9Confident86.4Confident145 Ų14555.1 Ų55.178%0.77528%0.282SS*.SBendtrans52.321.8-170.2-65.8-85.8000113.3Q305 A306Q305-N310 PolarHBondContact O-N 2.82Å; A306-N310 WeakPolarHBondContact O-CA 3.45Å
311A76.9Confident86.2Confident38 Ų3856.8 Ų56.831%0.31429%0.293SS..  trans-116.4147.1-170.600000110.8Q305 L309Q305-A311 CarbonylContact C-O 3.55Å; Q305-A311 HydrophobicContact CG-CB 4.39Å; Q305-A311 WeakPolarHBondContact CG-O 3.48Å; L309-A311 HydrophobicContact CB-CB 4.01Å; L309-A311 PolarHBondContact O-N 3.26Å
312K74.3Confident86.1Confident202 Ų20257 Ų5788%0.87829%0.294SS*.  trans-118.773.4179.6-63.9-176.7-179.3-178.80110.2
313S78.9Confident85.9Confident31 Ų3156.5 Ų56.522%0.21729%0.291CS..  trans-87.7158168.783.60000110.4Q305 L315 N339Q305-S313 PolarHBondContact NE2-OG 3.14Å; Q305-S313 VanDerWaalsContact OE1-CB 3.29Å; Q305-S313 PolarHBondContact OE1-O 3.32Å; Q305-S313 PolarHBondContact OE1-OG 2.84Å; S313-L315 VanDerWaalsContact C-N 3.32Å; S313-L315 PolarHBondContact O-N 2.88Å; S313-L315 VanDerWaalsContact O-N 3.11Å; S313-L315 VanDerWaalsContact OG-CD2 3.28Å; S313-L315 WeakPolarHBondContact OG-CD2 3.38Å; S313-N339 WeakPolarHBondContact CB-OD1 3.48Å; S313-N339 PolarHBondContact OG-OD1 2.91Å
314R84.4Confident85.8Confident225 Ų22557.4 Ų57.485%0.84930%0.295SS*.  trans-86.181.8173.4-70.3-176.9178.8171-0.3108.8G340R314-G340 PolarHBondContact O-N 2.84Å
315L89.8Confident85.3Confident4 Ų461.8 Ų61.82%0.02132%0.322CS..EExtended strand (participates in β ladder)trans-69128.9166.5-59.9-172.9000108.7E298 F301 Q305 S313 V337 K338 N339 L344 L352E298-L315 VanDerWaalsContact CG-O 3.24Å; E298-L315 WeakPolarHBondContact CG-O 3.29Å; F301-L315 HydrophobicContact CB-CB 4.39Å; F301-L315 HydrophobicContact CB-CD1 4.04Å; F301-L315 HydrophobicContact CD1-CD1 4.45Å; Q305-L315 HydrophobicContact CB-CD1 4.09Å; Q305-L315 HydrophobicContact CG-CD1 4.5Å; S313-L315 VanDerWaalsContact C-N 3.32Å; S313-L315 PolarHBondContact O-N 2.88Å; S313-L315 VanDerWaalsContact O-N 3.11Å; S313-L315 VanDerWaalsContact OG-CD2 3.28Å; S313-L315 WeakPolarHBondContact OG-CD2 3.38Å; L315-V337 HydrophobicContact CB-CG1 4.25Å; L315-V337 HydrophobicContact CD2-CG1 4.49Å; L315-K338 CarbonylContact C-O 3.27Å; L315-K338 VanDerWaalsContact CA-O 3.24Å; L315-K338 WeakPolarHBondContact CA-O 3.39Å; L315-N339 HydrophobicContact CD2-CB 3.87Å; L315-L344 HydrophobicContact CD1-CD1 4.5Å; L315-L344 HydrophobicContact CD2-CD1 3.72Å; L315-L352 HydrophobicContact CD1-CD1 4.34Å
316A90.6Very high84.6Confident35 Ų3567 Ų6729%0.28936%0.358SS..EExtended strand (participates in β ladder)trans-123.6133.3175.700000109.1K338A316-K338 PolarHBondContact N-O 3.05Å; A316-K338 PolarHBondContact O-N 3.46Å
317V93.3Very high83.9Confident6 Ų670 Ų704%0.03639%0.391CS..EExtended strand (participates in β ladder)trans-96.8146.4-178.6-1790000109.9L297 E298 F301 Y335 V337L297-V317 HydrophobicContact CB-CB 4.26Å; L297-V317 HydrophobicContact CB-CG1 3.92Å; L297-V317 HydrophobicContact CB-CG2 4Å; L297-V317 HydrophobicContact CD1-CG1 4.15Å; E298-V317 HydrophobicContact CB-CG2 4.24Å; F301-V317 HydrophobicContact CD2-CG2 3.68Å; F301-V317 HydrophobicContact CE2-CG2 4.24Å; F301-V317 HydrophobicContact CG-CG2 4.47Å; V317-Y335 HydrophobicContact CG1-CD2 3.84Å; V317-Y335 HydrophobicContact CG1-CG 4.25Å; V317-V337 HydrophobicContact CG2-CG2 4.49Å
318Q91.3Very high83.6Confident28 Ų2866.4 Ų66.413%0.13138%0.38CS..EExtended strand (participates in β ladder)trans-133.4118.3167.3-179.1-179.1-18.900110.5E294 Y335 T336E294-Q318 VanDerWaalsContact OE1-CA 3.26Å; E294-Q318 WeakPolarHBondContact OE1-CA 3.49Å; Q318-Y335 CarbonylContact O-C 3.57Å; Q318-Y335 VanDerWaalsContact O-CA 3.25Å; Q318-Y335 WeakPolarHBondContact O-CA 3.4Å; Q318-Y335 WeakPolarHBondContact O-CB 3.4Å; Q318-T336 PolarHBondContact N-O 3.15Å; Q318-T336 PolarHBondContact O-N 3.48Å; Q318-T336 PolarHBondContact O-OG1 3.11Å
319I92Very high83.7Confident8 Ų868.3 Ų68.34%0.04139%0.393CS..EExtended strand (participates in β ladder)trans-74.9135.4171-66.5173.4000109L290 M293 E294 L297 V322L290-I319 HydrophobicContact CD1-CB 4.29Å; L290-I319 HydrophobicContact CD1-CG2 3.9Å; L290-I319 HydrophobicContact CD2-CB 4.17Å; L290-I319 HydrophobicContact CG-CB 3.97Å; L290-I319 HydrophobicContact CG-CD1 4.27Å; L290-I319 HydrophobicContact CG-CG2 3.95Å; M293-I319 HydrophobicContact CB-CD1 3.67Å; E294-I319 HydrophobicContact CG-CB 4.07Å; E294-I319 HydrophobicContact CG-CD1 3.88Å; E294-I319 HydrophobicContact CG-CG1 3.73Å; E294-I319 PolarHBondContact OE1-N 3.24Å; L297-I319 HydrophobicContact CD1-CD1 4.3Å; L297-I319 HydrophobicContact CD1-CG1 4.39Å; I319-V322 HydrophobicContact CG2-CG2 3.84Å
320L88.8Confident84.1Confident24 Ų2464.5 Ų64.513%0.12638%0.376CS..EExtended strand (participates in β ladder)trans-101.7-42177.6-58.3-174.9000111.4Q270 V334 T336Q270-L320 HydrophobicContact CG-CD1 3.83Å; L320-V334 HydrophobicContact CB-CG1 4.46Å; L320-V334 PolarHBondContact N-O 2.81Å; L320-T336 HydrophobicContact CD1-CG2 3.7Å; L320-T336 HydrophobicContact CD2-CG2 4.45Å; L320-T336 HydrophobicContact CG-CG2 4.11Å
321S88.6Confident84.7Confident34 Ų3457.6 Ų57.624%0.23834%0.339CS..EExtended strand (participates in β ladder)trans-147150.217462.80000112.5S226 V334S226-S321 VanDerWaalsContact CB-CB 3.48Å; S321-V334 PolarHBondContact N-O 3.29Å; S321-V334 PolarHBondContact O-N 3.09Å; S321-V334 WeakPolarHBondContact OG-CB 3.41Å
322V90.1Very high85.3Confident5 Ų556.8 Ų56.83%0.0333%0.331CS..EExtended strand (participates in β ladder)trans-120.8127167.1-178.10000106.1P284 F289 L290 I319 V331 L333P284-V322 HydrophobicContact CB-CG1 3.83Å; P284-V322 WeakPolarHBondContact O-CG1 3.32Å; F289-V322 HydrophobicContact CD1-CG1 4.31Å; F289-V322 HydrophobicContact CE1-CG1 3.94Å; L290-V322 HydrophobicContact CD1-CG2 4.35Å; I319-V322 HydrophobicContact CG2-CG2 3.84Å; V322-V331 HydrophobicContact CG1-CG1 3.6Å; V322-L333 HydrophobicContact CB-CD2 4.29Å; V322-L333 HydrophobicContact CG1-CD2 3.88Å; V322-L333 HydrophobicContact CG2-CD2 3.78Å
323S86.8Confident86.2Confident43 Ų4347.1 Ų47.130%0.30129%0.289SS..EExtended strand (participates in β ladder)trans-135.8146.3177.7570000110.8V331 S332S323-V331 CarbonylContact O-C 3.52Å; S323-S332 PolarHBondContact N-O 3.32Å; S323-S332 PolarHBondContact O-N 3.07Å
324Q87.6Confident86.8Confident84 Ų8446.5 Ų46.539%0.39328%0.284SS..EExtended strand (participates in β ladder)trans-130.5118.3-179.8-176.7178.833.300108.2V331Q324-V331 HydrophobicContact CB-CG2 4.28Å; Q324-V331 HydrophobicContact CG-CG2 4.1Å
325T78.3Confident87.3Confident93 Ų9335.8 Ų35.857%0.57124%0.243SC*.  trans-69.8125.7-176.5-52.90000109.6G327 S328T325-G327 PolarHBondContact O-N 3.49Å; T325-S328 WeakPolarHBondContact CB-OG 3.22Å; T325-S328 PolarHBondContact O-N 2.95Å; T325-S328 PolarHBondContact O-OG 2.94Å
326P74.8Confident87.4Confident125 Ų12535.6 Ų35.681%0.81224%0.242SC*.THydrogen-bonded Turntrans-52.2134.8180-28.235.5000112.5S328P326-S328 VanDerWaalsContact C-N 3.28Å; P326-S328 PolarHBondContact O-N 3.42Å
327G72Confident87.5Confident95 Ų9534 Ų3498%0.97923%0.229SC*.THydrogen-bonded Turntrans79.8-2.3-176.600000115.4T325T325-G327 PolarHBondContact O-N 3.49Å
328S78.9Confident87.4Confident37 Ų3735.2 Ų35.226%0.25923%0.234SC..  trans-115.2146.2175.882.40000112.6T325 P326 A330T325-S328 WeakPolarHBondContact CB-OG 3.22Å; T325-S328 PolarHBondContact O-N 2.95Å; T325-S328 PolarHBondContact O-OG 2.94Å; P326-S328 VanDerWaalsContact C-N 3.28Å; P326-S328 PolarHBondContact O-N 3.42Å; S328-A330 PolarHBondContact O-N 3.1Å; S328-A330 PolarHBondContact OG-N 3.2Å
329P82.5Confident87.4Confident73 Ų7337.1 Ų37.147%0.47425%0.245SC..SBendtrans-80.810.2169.835.8-36.6000112.7F277F277-P329 PolarHBondContact N-O 3.26Å
330A87.4Confident87.1Confident19 Ų1939.3 Ų39.316%0.15727%0.27CS..  trans-92.5132.5-17500000111.4V274 L275 S328 L370V274-A330 HydrophobicContact CG1-CB 4.26Å; L275-A330 CarbonylContact O-C 3.49Å; L275-A330 VanDerWaalsContact O-CA 3.25Å; L275-A330 WeakPolarHBondContact O-CA 3.36Å; S328-A330 PolarHBondContact O-N 3.1Å; S328-A330 PolarHBondContact OG-N 3.2Å; A330-L370 HydrophobicContact CB-CD1 4.38Å
331V90.8Very high86.7Confident0 Ų044.6 Ų44.60%030%0.303CS..EExtended strand (participates in β ladder)trans-116.6119.3-179.71790000109.3L275 V278 P284 F289 V322 S323 Q324 L333L275-V331 PolarHBondContact N-O 3.2Å; L275-V331 PolarHBondContact O-N 3.24Å; V278-V331 HydrophobicContact CB-CG2 3.93Å; V278-V331 HydrophobicContact CG2-CB 3.89Å; V278-V331 HydrophobicContact CG2-CG2 3.61Å; P284-V331 HydrophobicContact CB-CG1 4Å; P284-V331 HydrophobicContact CB-CG2 4.11Å; P284-V331 HydrophobicContact CG-CG2 4.24Å; F289-V331 HydrophobicContact CE1-CG1 4.25Å; F289-V331 HydrophobicContact CZ-CG1 4.4Å; V322-V331 HydrophobicContact CG1-CG1 3.6Å; S323-V331 CarbonylContact O-C 3.52Å; Q324-V331 HydrophobicContact CB-CG2 4.28Å; Q324-V331 HydrophobicContact CG-CG2 4.1Å; V331-L333 HydrophobicContact CG1-CD2 4.08Å
332S90.8Very high86.6Confident21 Ų2147.6 Ų47.615%0.14732%0.32CS..EExtended strand (participates in β ladder)trans-91.6122.6176.1-176.70000110S323S323-S332 PolarHBondContact N-O 3.32Å; S323-S332 PolarHBondContact O-N 3.07Å
333L92.7Very high86.5Confident0 Ų050.5 Ų50.50%033%0.332CS..EExtended strand (participates in β ladder)trans-105.1122175.7-56.1179.9000109K272 T273 L275 F289 M293 V322 V331 Y335K272-L333 WeakPolarHBondContact CA-O 3.44Å; T273-L333 PolarHBondContact N-O 3.34Å; T273-L333 PolarHBondContact O-N 3.14Å; L275-L333 HydrophobicContact CD1-CD1 3.68Å; L275-L333 HydrophobicContact CD1-CG 4.34Å; L275-L333 HydrophobicContact CG-CD1 4.15Å; F289-L333 HydrophobicContact CE1-CD2 3.97Å; M293-L333 HydrophobicContact CB-CD1 4.41Å; M293-L333 HydrophobicContact CE-CD1 3.8Å; M293-L333 HydrophobicContact CG-CD1 4.36Å; V322-L333 HydrophobicContact CB-CD2 4.29Å; V322-L333 HydrophobicContact CG1-CD2 3.88Å; V322-L333 HydrophobicContact CG2-CD2 3.78Å; V331-L333 HydrophobicContact CG1-CD2 4.08Å; L333-Y335 HydrophobicContact CB-CD1 4.34Å
334V92.7Very high86.5Confident17 Ų1750 Ų5010%0.10333%0.326CS..EExtended strand (participates in β ladder)trans-105.4126.6168.3179.50000109.3Q270 L271 L320 S321 L376Q270-V334 HydrophobicContact CB-CG1 4.3Å; L271-V334 CarbonylContact O-C 3.51Å; L271-V334 VanDerWaalsContact O-CA 3.27Å; L271-V334 WeakPolarHBondContact O-CA 3.46Å; L320-V334 HydrophobicContact CB-CG1 4.46Å; L320-V334 PolarHBondContact N-O 2.81Å; S321-V334 PolarHBondContact N-O 3.29Å; S321-V334 PolarHBondContact O-N 3.09Å; S321-V334 WeakPolarHBondContact OG-CB 3.41Å; V334-L376 HydrophobicContact CB-CD1 4.37Å; V334-L376 HydrophobicContact CG1-CD1 3.44Å; V334-L376 VanDerWaalsContact CG1-CD1 3.44Å; V334-L376 HydrophobicContact CG2-CD1 4.04Å
335Y93.2Very high86.5Confident0 Ų048.9 Ų48.90%032%0.323CS..EExtended strand (participates in β ladder)trans-148.3173.3-17561.1-85.6000112.6Q270 L271 T273 L297 F301 V317 Q318 L333 V337Q270-Y335 WeakPolarHBondContact CA-O 3.46Å; L271-Y335 HydrophobicContact CB-CD1 4.46Å; L271-Y335 HydrophobicContact CB-CD2 4.08Å; L271-Y335 HydrophobicContact CB-CE1 4.05Å; L271-Y335 HydrophobicContact CB-CE2 3.64Å; L271-Y335 HydrophobicContact CB-CG 4.47Å; L271-Y335 HydrophobicContact CD1-CD2 4.27Å; L271-Y335 HydrophobicContact CD1-CE2 3.45Å; L271-Y335 VanDerWaalsContact CD1-CE2 3.45Å; L271-Y335 HydrophobicContact CG-CE2 4.2Å; L271-Y335 PolarHBondContact N-O 2.98Å; L271-Y335 PolarHBondContact O-N 3.09Å; T273-Y335 WeakPolarHBondContact OG1-CE1 3.37Å; T273-Y335 PolarHBondContact OG1-OH 3.09Å; L297-Y335 HydrophobicContact CD1-CD1 4.09Å; L297-Y335 HydrophobicContact CD1-CD2 4.48Å; L297-Y335 HydrophobicContact CD1-CE1 4.24Å; L297-Y335 HydrophobicContact CD1-CG 4.21Å; L297-Y335 HydrophobicContact CD2-CE1 4.4Å; L297-Y335 HydrophobicContact CD2-CE2 4.48Å; F301-Y335 HydrophobicContact CE2-CD2 4.49Å; F301-Y335 AromaticContact CE2-CE2 3.61Å; F301-Y335 HydrophobicContact CE2-CE2 3.61Å; F301-Y335 AromaticContact CZ-CE2 3.87Å; F301-Y335 HydrophobicContact CZ-CE2 3.87Å; V317-Y335 HydrophobicContact CG1-CD2 3.84Å; V317-Y335 HydrophobicContact CG1-CG 4.25Å; Q318-Y335 CarbonylContact O-C 3.57Å; Q318-Y335 VanDerWaalsContact O-CA 3.25Å; Q318-Y335 WeakPolarHBondContact O-CA 3.4Å; Q318-Y335 WeakPolarHBondContact O-CB 3.4Å; L333-Y335 HydrophobicContact CB-CD1 4.34Å; Y335-V337 HydrophobicContact CD2-CG2 4.33Å; Y335-V337 HydrophobicContact CE2-CG2 4.27Å
336T93Very high86.8Confident0 Ų044.5 Ų44.50%030%0.295CS..EExtended strand (participates in β ladder)trans-134.5150.217957.10000109.3P265 F269 Q270 Q318 L320P265-T336 HydrophobicContact CB-CG2 4.15Å; P265-T336 HydrophobicContact CG-CG2 3.98Å; F269-T336 WeakPolarHBondContact O-CG2 3.24Å; Q270-T336 HydrophobicContact CB-CG2 4.4Å; Q270-T336 HydrophobicContact CG-CG2 3.91Å; Q318-T336 PolarHBondContact N-O 3.15Å; Q318-T336 PolarHBondContact O-N 3.48Å; Q318-T336 PolarHBondContact O-OG1 3.11Å; L320-T336 HydrophobicContact CD1-CG2 3.7Å; L320-T336 HydrophobicContact CD2-CG2 4.45Å; L320-T336 HydrophobicContact CG-CG2 4.11Å
337V93Very high87.1Confident1 Ų140 Ų401%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-114.2138178.7-169.80000109.1L271 F301 L315 V317 Y335 L344 A349L271-V337 HydrophobicContact CD1-CG2 4.07Å; F301-V337 HydrophobicContact CD1-CG1 4.31Å; F301-V337 HydrophobicContact CD1-CG2 4.24Å; F301-V337 HydrophobicContact CD2-CG2 4.13Å; F301-V337 HydrophobicContact CE1-CG2 3.79Å; F301-V337 HydrophobicContact CE2-CG2 3.69Å; F301-V337 HydrophobicContact CG-CG1 4.39Å; F301-V337 HydrophobicContact CG-CG2 4.41Å; F301-V337 HydrophobicContact CZ-CG2 3.5Å; L315-V337 HydrophobicContact CB-CG1 4.25Å; L315-V337 HydrophobicContact CD2-CG1 4.49Å; V317-V337 HydrophobicContact CG2-CG2 4.49Å; Y335-V337 HydrophobicContact CD2-CG2 4.33Å; Y335-V337 HydrophobicContact CE2-CG2 4.27Å; V337-L344 HydrophobicContact CB-CB 4.46Å; V337-L344 HydrophobicContact CB-CD1 4.43Å; V337-L344 HydrophobicContact CG1-CD1 3.98Å; V337-L344 PolarHBondContact O-N 2.93Å; V337-A349 HydrophobicContact CB-CB 4.33Å; V337-A349 HydrophobicContact CG2-CB 4.07Å
338K90.8Very high87.6Confident32 Ų3239.1 Ų39.114%0.13924%0.241CC..EExtended strand (participates in β ladder)trans-121.3142.1178-62.8168.1-172.4166.70110.2L315 A316 V342 F343L315-K338 CarbonylContact C-O 3.27Å; L315-K338 VanDerWaalsContact CA-O 3.24Å; L315-K338 WeakPolarHBondContact CA-O 3.39Å; A316-K338 PolarHBondContact N-O 3.05Å; A316-K338 PolarHBondContact O-N 3.46Å; K338-V342 CarbonylContact C-O 3.55Å; K338-V342 WeakPolarHBondContact CA-O 3.47Å; K338-F343 HydrophobicContact CD-CD1 4.47Å; K338-F343 HydrophobicContact CD-CE1 4.12Å; K338-F343 HydrophobicContact CD-CZ 4.43Å; K338-F343 HydrophobicContact CG-CD1 3.75Å; K338-F343 HydrophobicContact CG-CE1 3.89Å; K338-F343 HydrophobicContact CG-CG 4.29Å
339N90.3Very high88Confident68 Ų6837.4 Ų37.436%0.36423%0.229SC..EExtended strand (participates in β ladder)trans-104.5101.4163-175.14.4000107.5S313 L315 T341 V342 L344S313-N339 WeakPolarHBondContact CB-OD1 3.48Å; S313-N339 PolarHBondContact OG-OD1 2.91Å; L315-N339 HydrophobicContact CD2-CB 3.87Å; N339-T341 PolarHBondContact O-N 3.27Å; N339-T341 VanDerWaalsContact O-N 3.09Å; N339-V342 PolarHBondContact N-O 2.94Å; N339-V342 PolarHBondContact O-N 3.26Å; N339-V342 VanDerWaalsContact O-N 3.16Å; N339-L344 HydrophobicContact CB-CD2 4.08Å; N339-L344 HydrophobicContact CB-CG 4.49Å
340G85.3Confident88.2Confident55 Ų5534.8 Ų34.857%0.56721%0.213SC*.THydrogen-bonded Turntrans60.3-110-169.200000112.3R314R314-G340 PolarHBondContact O-N 2.84Å
341T80.9Confident88.1Confident135 Ų13538.7 Ų38.783%0.82823%0.231SC*.THydrogen-bonded Turntrans-92.3-17.7179.6500000114.3N339N339-T341 PolarHBondContact O-N 3.27Å; N339-T341 VanDerWaalsContact O-N 3.09Å
342V86.4Confident87.9Confident96 Ų9639 Ų3958%0.58223%0.233SC*.EExtended strand (participates in β ladder)trans-98134.3-170.9-177.90000110.6K338 N339K338-V342 CarbonylContact C-O 3.55Å; K338-V342 WeakPolarHBondContact CA-O 3.47Å; N339-V342 PolarHBondContact N-O 2.94Å; N339-V342 PolarHBondContact O-N 3.26Å; N339-V342 VanDerWaalsContact O-N 3.16Å
343F88.1Confident87.7Confident66 Ų6638 Ų3829%0.28923%0.226SC..EExtended strand (participates in β ladder)trans-73.6136172.7-68.7-87.9000111.2P265 F269 K338P265-F343 HydrophobicContact CB-CD1 4.23Å; P265-F343 HydrophobicContact CB-CE1 3.92Å; P265-F343 HydrophobicContact CB-CZ 4.12Å; P265-F343 HydrophobicContact CG-CD1 4.04Å; P265-F343 HydrophobicContact CG-CE1 3.26Å; P265-F343 HydrophobicContact CG-CE2 4.27Å; P265-F343 HydrophobicContact CG-CZ 3.4Å; P265-F343 VanDerWaalsContact CG-CZ 3.4Å; F269-F343 HydrophobicContact CB-CB 4.27Å; F269-F343 HydrophobicContact CD1-CB 3.59Å; F269-F343 HydrophobicContact CE1-CB 4.07Å; F269-F343 HydrophobicContact CG-CB 3.94Å; K338-F343 HydrophobicContact CD-CD1 4.47Å; K338-F343 HydrophobicContact CD-CE1 4.12Å; K338-F343 HydrophobicContact CD-CZ 4.43Å; K338-F343 HydrophobicContact CG-CD1 3.75Å; K338-F343 HydrophobicContact CG-CE1 3.89Å; K338-F343 HydrophobicContact CG-CG 4.29Å
344L86.8Confident87.2Confident34 Ų3440.6 Ų40.618%0.17825%0.252CS..PPolyproline II helixtrans-80.6137.7169.2-64-173000110.2F269 L315 V337 N339 G346 A349F269-L344 WeakPolarHBondContact CD1-O 3.35Å; L315-L344 HydrophobicContact CD1-CD1 4.5Å; L315-L344 HydrophobicContact CD2-CD1 3.72Å; V337-L344 HydrophobicContact CB-CB 4.46Å; V337-L344 HydrophobicContact CB-CD1 4.43Å; V337-L344 HydrophobicContact CG1-CD1 3.98Å; V337-L344 PolarHBondContact O-N 2.93Å; N339-L344 HydrophobicContact CB-CD2 4.08Å; N339-L344 HydrophobicContact CB-CG 4.49Å; L344-G346 PolarHBondContact O-N 3.45Å; L344-A349 HydrophobicContact CB-CB 4.36Å
345N87.1Confident86.8Confident60 Ų6045.6 Ų45.632%0.32127%0.274SS..PPolyproline II helixtrans-56.4135.6171.6-176-26.5000109.9G268 T347 V348 A349G268-N345 PolarHBondContact O-OD1 3.05Å; N345-T347 VanDerWaalsContact C-N 3.25Å; N345-T347 PolarHBondContact O-N 3.39Å; N345-T347 PolarHBondContact OD1-N 3.17Å; N345-T347 VanDerWaalsContact OD1-N 3.11Å; N345-T347 PolarHBondContact OD1-OG1 3.4Å; N345-T347 VanDerWaalsContact OD1-OG1 3.09Å; N345-V348 HydrophobicContact CB-CB 4.46Å; N345-V348 HydrophobicContact CB-CG2 4.15Å; N345-V348 PolarHBondContact O-N 2.83Å; N345-A349 PolarHBondContact O-N 3.22Å
346G84.7Confident86.4Confident0 Ų046.4 Ų46.40%028%0.278CS..Hα-helixtrans-54.9-39-178.500000112.5G268 L271 L344 V348 A349 S350G268-G346 PolarHBondContact O-N 3.22Å; L271-G346 WeakPolarHBondContact CD2-O 3.42Å; L344-G346 PolarHBondContact O-N 3.45Å; G346-V348 PolarHBondContact O-N 2.99Å; G346-A349 PolarHBondContact O-N 3.49Å; G346-S350 WeakPolarHBondContact O-CB 3.38Å; G346-S350 PolarHBondContact O-N 3.07Å
347T81.4Confident86.1Confident30 Ų3049.3 Ų49.318%0.18430%0.298CS..Hα-helixtrans-64.8-40.7177.159.50000112.4N345 S350 N351 P375 H379N345-T347 VanDerWaalsContact C-N 3.25Å; N345-T347 PolarHBondContact O-N 3.39Å; N345-T347 PolarHBondContact OD1-N 3.17Å; N345-T347 VanDerWaalsContact OD1-N 3.11Å; N345-T347 PolarHBondContact OD1-OG1 3.4Å; N345-T347 VanDerWaalsContact OD1-OG1 3.09Å; T347-S350 WeakPolarHBondContact O-CB 3.37Å; T347-N351 WeakPolarHBondContact O-CB 3.49Å; T347-N351 PolarHBondContact O-N 3.14Å; T347-N351 PolarHBondContact O-ND2 3.24Å; T347-N351 PolarHBondContact O-OD1 3.15Å; T347-P375 HydrophobicContact CG2-CG 4.49Å; T347-H379 HydrophobicContact CG2-CB 4.34Å
348V83.3Confident85.8Confident77 Ų7751.2 Ų51.247%0.46731%0.314SS..Hα-helixtrans-68.5-42.7178.2178.40000110.8N345 G346 N351 L352N345-V348 HydrophobicContact CB-CB 4.46Å; N345-V348 HydrophobicContact CB-CG2 4.15Å; N345-V348 PolarHBondContact O-N 2.83Å; G346-V348 PolarHBondContact O-N 2.99Å; V348-N351 PolarHBondContact O-N 2.72Å; V348-L352 PolarHBondContact O-N 2.92Å
349A87.1Confident85.7Confident1 Ų157.5 Ų57.51%0.00834%0.344CS..Hα-helixtrans-71.1-37.6178.700000112.2L271 F301 V337 L344 N345 G346 N351 L352 L353L271-A349 HydrophobicContact CD1-CB 3.65Å; L271-A349 HydrophobicContact CG-CB 4.46Å; F301-A349 HydrophobicContact CE1-CB 4.09Å; F301-A349 WeakPolarHBondContact CE1-O 3.21Å; V337-A349 HydrophobicContact CB-CB 4.33Å; V337-A349 HydrophobicContact CG2-CB 4.07Å; L344-A349 HydrophobicContact CB-CB 4.36Å; N345-A349 PolarHBondContact O-N 3.22Å; G346-A349 PolarHBondContact O-N 3.49Å; A349-N351 VanDerWaalsContact C-N 3.35Å; A349-N351 PolarHBondContact O-N 2.82Å; A349-L352 PolarHBondContact O-N 3.27Å; A349-L353 PolarHBondContact O-N 3.09Å
350S86.8Confident85.7Confident18 Ų1856.7 Ų56.713%0.12634%0.34CS..Hα-helixtrans-52.5-52166.91610000110.6G346 T347 L352 L353 G354 A373G346-S350 WeakPolarHBondContact O-CB 3.38Å; G346-S350 PolarHBondContact O-N 3.07Å; T347-S350 WeakPolarHBondContact O-CB 3.37Å; S350-L352 PolarHBondContact O-N 2.87Å; S350-L353 PolarHBondContact O-N 2.57Å; S350-L353 VanDerWaalsContact O-N 3.13Å; S350-G354 PolarHBondContact O-N 3.09Å; S350-A373 WeakPolarHBondContact CB-O 3.26Å; S350-A373 PolarHBondContact OG-O 2.8Å
351N83.9Confident86Confident101 Ų10154.1 Ų54.154%0.5431%0.313SS..Hα-helixtrans-66.3-18.1-177.8-70.1-7.8000114.5T347 V348 A349 Q355T347-N351 WeakPolarHBondContact O-CB 3.49Å; T347-N351 PolarHBondContact O-N 3.14Å; T347-N351 PolarHBondContact O-ND2 3.24Å; T347-N351 PolarHBondContact O-OD1 3.15Å; V348-N351 PolarHBondContact O-N 2.72Å; A349-N351 VanDerWaalsContact C-N 3.35Å; A349-N351 PolarHBondContact O-N 2.82Å; N351-Q355 PolarHBondContact O-NE2 3.26Å; N351-Q355 VanDerWaalsContact O-NE2 3.14Å
352L86.6Confident86.4Confident8 Ų848.1 Ų48.14%0.04228%0.277CS..Hα-helixtrans-75.5-46.1170.8-69.1171.2000111.3A304 V308 L309 L315 V348 A349 S350A304-L352 HydrophobicContact CB-CB 4.37Å; V308-L352 HydrophobicContact CB-CD2 4.16Å; V308-L352 HydrophobicContact CG1-CD2 3.99Å; L309-L352 HydrophobicContact CD1-CD2 4.06Å; L309-L352 HydrophobicContact CG-CD2 4.08Å; L315-L352 HydrophobicContact CD1-CD1 4.34Å; V348-L352 PolarHBondContact O-N 2.92Å; A349-L352 PolarHBondContact O-N 3.27Å; S350-L352 PolarHBondContact O-N 2.87Å
353L86.6Confident86.6Confident0 Ų051.3 Ų51.30%028%0.28CS..Hα-helixtrans-76.8-32177.7-73.1-174.8000113.1V300 F301 A304 A349 S350 Q355 F356 I372 A373V300-L353 HydrophobicContact CB-CD2 3.86Å; V300-L353 HydrophobicContact CG1-CD2 3.43Å; V300-L353 VanDerWaalsContact CG1-CD2 3.43Å; F301-L353 HydrophobicContact CD1-CD2 4.45Å; F301-L353 HydrophobicContact CD1-CG 4.2Å; F301-L353 HydrophobicContact CD2-CD1 4.28Å; F301-L353 HydrophobicContact CE1-CD1 3.95Å; F301-L353 HydrophobicContact CE1-CD2 4.39Å; F301-L353 HydrophobicContact CE1-CG 3.67Å; F301-L353 HydrophobicContact CE2-CD1 3.49Å; F301-L353 VanDerWaalsContact CE2-CD1 3.49Å; F301-L353 HydrophobicContact CE2-CG 4.05Å; F301-L353 HydrophobicContact CZ-CD1 3.28Å; F301-L353 HydrophobicContact CZ-CD2 4.42Å; F301-L353 HydrophobicContact CZ-CG 3.57Å; A304-L353 HydrophobicContact CB-CD2 4.34Å; A349-L353 PolarHBondContact O-N 3.09Å; S350-L353 PolarHBondContact O-N 2.57Å; S350-L353 VanDerWaalsContact O-N 3.13Å; L353-Q355 PolarHBondContact O-N 3.11Å; L353-Q355 VanDerWaalsContact O-N 3.15Å; L353-F356 PolarHBondContact O-N 3Å; L353-I372 HydrophobicContact CB-CG2 3.86Å; L353-A373 HydrophobicContact CB-CB 3.93Å; L353-A373 HydrophobicContact CD1-CB 3.8Å; L353-A373 HydrophobicContact CG-CB 4.44Å
354G83.8Confident86.8Confident53 Ų5349.3 Ų49.355%0.54627%0.271SS..THydrogen-bonded Turntrans-65.7-11.4178.600000114.8S350 F356S350-G354 PolarHBondContact O-N 3.09Å; G354-F356 VanDerWaalsContact C-N 3.32Å
355Q83.4Confident87Confident123 Ų12347.7 Ų47.758%0.57526%0.263SS*.THydrogen-bonded Turntrans-84.4-4.4170.1-74.3-179.960.200113.4V308 N351 L353V308-Q355 VanDerWaalsContact CG1-NE2 3.26Å; V308-Q355 HydrophobicContact CG2-CB 3.88Å; V308-Q355 HydrophobicContact CG2-CG 4.38Å; N351-Q355 PolarHBondContact O-NE2 3.26Å; N351-Q355 VanDerWaalsContact O-NE2 3.14Å; L353-Q355 PolarHBondContact O-N 3.11Å; L353-Q355 VanDerWaalsContact O-N 3.15Å
356F86.1Confident87.2Confident16 Ų1651.4 Ų51.47%0.0728%0.277CS..SBendtrans-101.5147.9169.4-71-5.2000110.7V300 E303 A304 K307 L353 G354 L360 V361 F364V300-F356 HydrophobicContact CG1-CD2 3.97Å; V300-F356 HydrophobicContact CG1-CE2 4.14Å; E303-F356 HydrophobicContact CB-CE2 4.37Å; E303-F356 HydrophobicContact CB-CZ 4.47Å; E303-F356 HydrophobicContact CG-CE2 4.09Å; E303-F356 HydrophobicContact CG-CZ 3.95Å; A304-F356 HydrophobicContact CB-CD2 4.41Å; A304-F356 HydrophobicContact CB-CE1 4.5Å; A304-F356 HydrophobicContact CB-CE2 3.83Å; A304-F356 HydrophobicContact CB-CZ 3.89Å; K307-F356 HydrophobicContact CB-CE1 4.16Å; K307-F356 HydrophobicContact CB-CZ 4.43Å; K307-F356 HydrophobicContact CD-CE1 3.65Å; K307-F356 HydrophobicContact CD-CZ 3.69Å; L353-F356 PolarHBondContact O-N 3Å; G354-F356 VanDerWaalsContact C-N 3.32Å; F356-L360 HydrophobicContact CB-CB 4.44Å; F356-L360 HydrophobicContact CB-CD2 4.07Å; F356-L360 HydrophobicContact CB-CG 4.44Å; F356-L360 HydrophobicContact CD1-CD2 3.86Å; F356-L360 HydrophobicContact CD2-CD2 3.93Å; F356-L360 HydrophobicContact CD2-CG 4.21Å; F356-L360 HydrophobicContact CE1-CD2 4.23Å; F356-L360 HydrophobicContact CE2-CD2 4.29Å; F356-L360 HydrophobicContact CG-CD2 3.69Å; F356-L360 HydrophobicContact CG-CG 4.3Å; F356-L360 HydrophobicContact CZ-CD2 4.42Å; F356-V361 HydrophobicContact CB-CG2 3.69Å; F356-V361 HydrophobicContact CD2-CG2 4.32Å; F356-F364 HydrophobicContact CE2-CE2 4.49Å
357S85.6Confident87.5Confident62 Ų6252.1 Ų52.143%0.43428%0.28SS..  trans-66.6152.9170.462.30000110.9E359 L360 V361S357-E359 PolarHBondContact O-N 3.42Å; S357-L360 PolarHBondContact O-N 3.48Å; S357-L360 WeakPolarHBondContact OG-CB 3.43Å; S357-L360 PolarHBondContact OG-N 3.07Å; S357-V361 PolarHBondContact O-N 3.41Å
358A87.4Confident87.8Confident41 Ų4153.8 Ų53.834%0.33929%0.291SS..Hα-helixtrans-54.7-35.8174.400000111.9G362 P369 I372A358-G362 PolarHBondContact O-N 3.3Å; A358-P369 HydrophobicContact CB-CG 4.21Å; A358-P369 VanDerWaalsContact O-CD 3.28Å; A358-P369 WeakPolarHBondContact O-CD 3.34Å; A358-P369 WeakPolarHBondContact O-CG 3.48Å; A358-I372 HydrophobicContact CB-CD1 4.01Å; A358-I372 HydrophobicContact CB-CG1 4.1Å
359E88.1Confident88.2Confident163 Ų16350.7 Ų50.776%0.76227%0.272SS*.Hα-helixtrans-61-47.3173.9-59172163.700112.7S357 G362 Y363S357-E359 PolarHBondContact O-N 3.42Å; E359-G362 PolarHBondContact O-N 3.03Å; E359-Y363 WeakPolarHBondContact O-CB 3.47Å; E359-Y363 PolarHBondContact O-N 3Å
360L90.1Very high88.1Confident52 Ų5255.2 Ų55.227%0.27230%0.296SS..Hα-helixtrans-68.7-39.1-179.1179.760.3000111.5F356 S357 Y363 F364F356-L360 HydrophobicContact CB-CB 4.44Å; F356-L360 HydrophobicContact CB-CD2 4.07Å; F356-L360 HydrophobicContact CB-CG 4.44Å; F356-L360 HydrophobicContact CD1-CD2 3.86Å; F356-L360 HydrophobicContact CD2-CD2 3.93Å; F356-L360 HydrophobicContact CD2-CG 4.21Å; F356-L360 HydrophobicContact CE1-CD2 4.23Å; F356-L360 HydrophobicContact CE2-CD2 4.29Å; F356-L360 HydrophobicContact CG-CD2 3.69Å; F356-L360 HydrophobicContact CG-CG 4.3Å; F356-L360 HydrophobicContact CZ-CD2 4.42Å; S357-L360 PolarHBondContact O-N 3.48Å; S357-L360 WeakPolarHBondContact OG-CB 3.43Å; S357-L360 PolarHBondContact OG-N 3.07Å; L360-Y363 PolarHBondContact O-N 3.39Å; L360-F364 HydrophobicContact CD1-CD2 4.26Å; L360-F364 HydrophobicContact CD1-CE2 3.64Å; L360-F364 HydrophobicContact CD1-CZ 4.34Å; L360-F364 HydrophobicContact CG-CD2 4.42Å; L360-F364 HydrophobicContact CG-CE2 4Å; L360-F364 WeakPolarHBondContact O-CD2 3.4Å; L360-F364 PolarHBondContact O-N 2.95Å
361V91.2Very high88Confident0 Ų057.2 Ų57.20%030%0.304CS..Hα-helixtrans-65-46.6172.8177.90000110V300 F356 S357 Y363 F364 L365 P369 I372V300-V361 HydrophobicContact CG1-CG1 4.47Å; V300-V361 HydrophobicContact CG1-CG2 4.28Å; F356-V361 HydrophobicContact CB-CG2 3.69Å; F356-V361 HydrophobicContact CD2-CG2 4.32Å; S357-V361 PolarHBondContact O-N 3.41Å; V361-Y363 VanDerWaalsContact C-N 3.3Å; V361-Y363 PolarHBondContact O-N 2.9Å; V361-F364 PolarHBondContact O-N 3.07Å; V361-F364 VanDerWaalsContact O-N 3.11Å; V361-L365 HydrophobicContact CG1-CD1 3.83Å; V361-L365 HydrophobicContact CG1-CG 4.11Å; V361-L365 WeakPolarHBondContact O-CG 3.45Å; V361-L365 PolarHBondContact O-N 3.34Å; V361-P369 HydrophobicContact CB-CG 4.28Å; V361-P369 HydrophobicContact CG1-CG 4.2Å; V361-I372 HydrophobicContact CG1-CG2 4.42Å; V361-I372 HydrophobicContact CG2-CG2 3.97Å
362G89.6Confident88.1Confident9 Ų954.3 Ų54.39%0.09329%0.288CS..Hα-helixtrans-59.5-36.1176.700000113.8A358 E359 F364 L365 F366 Y367A358-G362 PolarHBondContact O-N 3.3Å; E359-G362 PolarHBondContact O-N 3.03Å; G362-F364 PolarHBondContact O-N 3.29Å; G362-L365 PolarHBondContact O-N 2.71Å; G362-F366 VanDerWaalsContact O-CA 3.28Å; G362-F366 WeakPolarHBondContact O-CA 3.38Å; G362-F366 PolarHBondContact O-N 2.91Å; G362-Y367 WeakPolarHBondContact CA-O 3.25Å; G362-Y367 PolarHBondContact O-N 3.04Å
363Y91.7Very high88.2Confident164 Ų16454.4 Ų54.464%0.64329%0.291SS*.Hα-helixtrans-60.5-42.9173.2171.7-97.5000112.5E359 L360 V361E359-Y363 WeakPolarHBondContact O-CB 3.47Å; E359-Y363 PolarHBondContact O-N 3Å; L360-Y363 PolarHBondContact O-N 3.39Å; V361-Y363 VanDerWaalsContact C-N 3.3Å; V361-Y363 PolarHBondContact O-N 2.9Å
364F91.6Very high88.1Confident23 Ų2357.4 Ų57.410%0.10131%0.305CS..Hα-helixtrans-77.1-30.9177.1-68.9-66.9000113.6K299 V300 E303 F356 L360 V361 G362 F366K299-F364 HydrophobicContact CD-CD1 4.3Å; V300-F364 HydrophobicContact CB-CB 4.47Å; V300-F364 HydrophobicContact CG1-CB 4.48Å; V300-F364 HydrophobicContact CG1-CD2 4.01Å; V300-F364 HydrophobicContact CG2-CB 3.53Å; V300-F364 HydrophobicContact CG2-CG 4.3Å; E303-F364 HydrophobicContact CB-CZ 4.43Å; E303-F364 HydrophobicContact CG-CE2 4.07Å; E303-F364 HydrophobicContact CG-CZ 3.82Å; F356-F364 HydrophobicContact CE2-CE2 4.49Å; L360-F364 HydrophobicContact CD1-CD2 4.26Å; L360-F364 HydrophobicContact CD1-CE2 3.64Å; L360-F364 HydrophobicContact CD1-CZ 4.34Å; L360-F364 HydrophobicContact CG-CD2 4.42Å; L360-F364 HydrophobicContact CG-CE2 4Å; L360-F364 WeakPolarHBondContact O-CD2 3.4Å; L360-F364 PolarHBondContact O-N 2.95Å; V361-F364 PolarHBondContact O-N 3.07Å; V361-F364 VanDerWaalsContact O-N 3.11Å; G362-F364 PolarHBondContact O-N 3.29Å; F364-F366 WeakPolarHBondContact O-CD2 3.48Å
365L91.3Very high88.1Confident0 Ų055 Ų550%028%0.28CS..Hα-helixtrans-81.7-15.6177.1-61.9-168.4000113.2T273 L275 M293 R296 L297 V300 V361 G362 Y367T273-L365 HydrophobicContact CG2-CD1 4.28Å; L275-L365 HydrophobicContact CD2-CD1 3.83Å; M293-L365 HydrophobicContact CE-CB 4.14Å; M293-L365 HydrophobicContact CE-CD1 4.22Å; M293-L365 HydrophobicContact CE-CD2 3.83Å; M293-L365 HydrophobicContact CE-CG 4.26Å; R296-L365 HydrophobicContact CB-CD2 3.89Å; R296-L365 WeakPolarHBondContact CD-O 3.33Å; R296-L365 PolarHBondContact NH1-O 3.2Å; L297-L365 HydrophobicContact CD2-CD1 4.2Å; L297-L365 HydrophobicContact CD2-CD2 3.86Å; L297-L365 HydrophobicContact CG-CD2 3.96Å; V300-L365 HydrophobicContact CG2-CD2 3.6Å; V300-L365 HydrophobicContact CG2-CG 4.24Å; V361-L365 HydrophobicContact CG1-CD1 3.83Å; V361-L365 HydrophobicContact CG1-CG 4.11Å; V361-L365 WeakPolarHBondContact O-CG 3.45Å; V361-L365 PolarHBondContact O-N 3.34Å; G362-L365 PolarHBondContact O-N 2.71Å; L365-Y367 VanDerWaalsContact O-CD2 3.25Å; L365-Y367 WeakPolarHBondContact O-CD2 3.3Å; L365-Y367 PolarHBondContact O-N 3.44Å
366F90.8Very high87.8Confident139 Ų13952.7 Ų52.761%0.6127%0.271SS*.SBendtrans57.610.2-169.9-57-100.9000115.3G362 F364G362-F366 VanDerWaalsContact O-CA 3.28Å; G362-F366 WeakPolarHBondContact O-CA 3.38Å; G362-F366 PolarHBondContact O-N 2.91Å; F364-F366 WeakPolarHBondContact O-CD2 3.48Å
367Y90.7Very high87.2Confident15 Ų1556.2 Ų56.26%0.05929%0.287CS..SBendtrans-134.2132.5170-45.7-75000108.2L275 V278 D282 F289 M292 M293 R296 G362 L365L275-Y367 HydrophobicContact CD1-CD2 3.85Å; L275-Y367 HydrophobicContact CD1-CG 4.36Å; V278-Y367 HydrophobicContact CG1-CE1 4.36Å; V278-Y367 HydrophobicContact CG2-CD1 4.33Å; V278-Y367 HydrophobicContact CG2-CG 4.3Å; D282-Y367 VanDerWaalsContact CG-OH 3.26Å; D282-Y367 PolarHBondContact OD2-OH 3.17Å; F289-Y367 AromaticContact CE2-CE2 3.85Å; F289-Y367 HydrophobicContact CE2-CE2 3.85Å; M292-Y367 HydrophobicContact SD-CE2 4.39Å; M293-Y367 HydrophobicContact SD-CD2 3.91Å; M293-Y367 HydrophobicContact SD-CE2 3.68Å; R296-Y367 PolarHBondContact NH1-OH 3.45Å; G362-Y367 WeakPolarHBondContact CA-O 3.25Å; G362-Y367 PolarHBondContact O-N 3.04Å; L365-Y367 VanDerWaalsContact O-CD2 3.25Å; L365-Y367 WeakPolarHBondContact O-CD2 3.3Å; L365-Y367 PolarHBondContact O-N 3.44Å
368P88.4Confident86.2Confident64 Ų6460 Ų6042%0.41629%0.293SS..  trans-68.1128.5-178.725.4-31.6000111.3Q276 F277Q276-P368 HydrophobicContact CB-CG 4.24Å; Q276-P368 PolarHBondContact N-O 2.94Å; F277-P368 HydrophobicContact CD2-CG 4.19Å
369P90.6Very high85Confident12 Ų1264.4 Ų64.48%0.07831%0.306CS..EExtended strand (participates in β ladder)trans-82.6129.9177.431.7-33000111.7T273 V274 L275 A358 V361 I372T273-P369 HydrophobicContact CG2-CB 4.41Å; V274-P369 CarbonylContact O-C 3.58Å; V274-P369 VanDerWaalsContact O-CA 3.28Å; V274-P369 WeakPolarHBondContact O-CA 3.29Å; L275-P369 HydrophobicContact CD2-CB 4.32Å; A358-P369 HydrophobicContact CB-CG 4.21Å; A358-P369 VanDerWaalsContact O-CD 3.28Å; A358-P369 WeakPolarHBondContact O-CD 3.34Å; A358-P369 WeakPolarHBondContact O-CG 3.48Å; V361-P369 HydrophobicContact CB-CG 4.28Å; V361-P369 HydrophobicContact CG1-CG 4.2Å; P369-I372 HydrophobicContact CG-CG1 4.35Å
370L86.1Confident83.8Confident97 Ų9761.3 Ų61.351%0.50830%0.295SS..EExtended strand (participates in β ladder)trans-72.6-35162.7-66.1176.9000111.3V274 Q276 A330V274-L370 HydrophobicContact CB-CB 4.38Å; V274-L370 HydrophobicContact CG1-CB 4.27Å; V274-L370 HydrophobicContact CG1-CD1 4.18Å; V274-L370 PolarHBondContact O-N 3.26Å; Q276-L370 HydrophobicContact CB-CD1 4.45Å; Q276-L370 HydrophobicContact CB-CD2 4.31Å; Q276-L370 HydrophobicContact CB-CG 4.04Å; Q276-L370 HydrophobicContact CG-CD1 4.25Å; Q276-L370 HydrophobicContact CG-CD2 4.14Å; Q276-L370 HydrophobicContact CG-CG 4.18Å; A330-L370 HydrophobicContact CB-CD1 4.38Å
371I84.9Confident82.7Confident60 Ų6059.9 Ų59.931%0.30829%0.287SS..EExtended strand (participates in β ladder)trans-131.8119.6176.3-60.8-178.4000107.2T273 V274 E374T273-I371 WeakPolarHBondContact CA-O 3.13Å; T273-I371 WeakPolarHBondContact CG2-O 3.41Å; V274-I371 HydrophobicContact CB-CB 4.06Å; V274-I371 HydrophobicContact CB-CD1 4.46Å; V274-I371 HydrophobicContact CB-CG1 4.25Å; V274-I371 HydrophobicContact CG2-CB 4.12Å; V274-I371 HydrophobicContact CG2-CD1 3.93Å; V274-I371 HydrophobicContact CG2-CG1 4.23Å; V274-I371 PolarHBondContact N-O 3.22Å; V274-I371 PolarHBondContact O-N 3.12Å; I371-E374 HydrophobicContact CG2-CB 3.68Å
372I86.6Confident81.3Confident39 Ų3965.2 Ų65.220%0.232%0.316CS..EExtended strand (participates in β ladder)trans-66-62.2-173.9-65.4175.2000111.3T273 L353 A358 V361 P369T273-I372 WeakPolarHBondContact CB-O 3.47Å; T273-I372 WeakPolarHBondContact CG2-O 3.41Å; T273-I372 PolarHBondContact OG1-O 2.76Å; L353-I372 HydrophobicContact CB-CG2 3.86Å; A358-I372 HydrophobicContact CB-CD1 4.01Å; A358-I372 HydrophobicContact CB-CG1 4.1Å; V361-I372 HydrophobicContact CG1-CG2 4.42Å; V361-I372 HydrophobicContact CG2-CG2 3.97Å; P369-I372 HydrophobicContact CG-CG1 4.35Å
373A87.4Confident80.2Confident11 Ų1167.8 Ų67.89%0.09133%0.33CS..EExtended strand (participates in β ladder)trans-164.984.4-178.800000110.2L271 K272 S350 L353L271-A373 HydrophobicContact CD2-CB 4.31Å; K272-A373 WeakPolarHBondContact O-CA 3.27Å; S350-A373 WeakPolarHBondContact CB-O 3.26Å; S350-A373 PolarHBondContact OG-O 2.8Å; L353-A373 HydrophobicContact CB-CB 3.93Å; L353-A373 HydrophobicContact CD1-CB 3.8Å; L353-A373 HydrophobicContact CG-CB 4.44Å
374E85.4Confident79.1Confident63 Ų6362.2 Ų62.229%0.29432%0.315SS..EExtended strand (participates in β ladder)trans-83.3128.2176.5179.1-176-15100109.7L271 K272 I371L271-E374 CarbonylContact C-O 3.55Å; L271-E374 WeakPolarHBondContact CA-O 3.44Å; K272-E374 HydrophobicContact CB-CB 4.46Å; K272-E374 WeakPolarHBondContact CD-OE2 3.41Å; K272-E374 WeakPolarHBondContact CE-OE2 3.16Å; K272-E374 PolarHBondContact N-O 2.64Å; K272-E374 IonicContact NZ-OE2 2.73Å; K272-E374 PolarHBondContact NZ-OE2 2.81Å; K272-E374 PolarHBondContact O-N 3.32Å; I371-E374 HydrophobicContact CG2-CB 3.68Å
375P82.8Confident78Confident3 Ų365.7 Ų65.72%0.01934%0.338CS..EExtended strand (participates in β ladder)trans-72.1132.9171.930.9-32.7000110.2L271 T347 E377 Y378L271-P375 HydrophobicContact CD2-CB 4.36Å; T347-P375 HydrophobicContact CG2-CG 4.49Å; P375-E377 PolarHBondContact O-N 3.41Å; P375-Y378 HydrophobicContact CG-CD1 3.78Å; P375-Y378 HydrophobicContact CG-CD2 4.1Å; P375-Y378 HydrophobicContact CG-CE1 3.52Å; P375-Y378 HydrophobicContact CG-CE2 3.85Å; P375-Y378 HydrophobicContact CG-CG 4.07Å
376L78.1Confident76.9Confident74 Ų7473.6 Ų73.639%0.38738%0.375SS..SBendtrans-72.5-14.3-179.4-82164.2000113.7Q270 K272 V334Q270-L376 HydrophobicContact CB-CB 4.27Å; Q270-L376 HydrophobicContact CB-CD1 3.75Å; Q270-L376 PolarHBondContact O-N 2.92Å; K272-L376 HydrophobicContact CB-CD2 4.31Å; K272-L376 HydrophobicContact CB-CG 4.16Å; K272-L376 HydrophobicContact CD-CD2 4.17Å; V334-L376 HydrophobicContact CB-CD1 4.37Å; V334-L376 HydrophobicContact CG1-CD1 3.44Å; V334-L376 VanDerWaalsContact CG1-CD1 3.44Å; V334-L376 HydrophobicContact CG2-CD1 4.04Å
377E73.1Confident76.2Confident89 Ų8967.9 Ų67.942%0.41635%0.351SS..SBendtrans-142.6111.6171.6177.7-179.9-178.500107.5T267 G268 P375T267-E377 WeakPolarHBondContact CB-OE2 3.42Å; T267-E377 PolarHBondContact OG1-OE2 3.16Å; G268-E377 PolarHBondContact N-OE2 3.31Å; P375-E377 PolarHBondContact O-N 3.41Å
378Y65.5Low75.7Confident142 Ų14272.7 Ų72.756%0.55737%0.369SS*.  trans-74139170.6-71.8-97000109.1P375 N380P375-Y378 HydrophobicContact CG-CD1 3.78Å; P375-Y378 HydrophobicContact CG-CD2 4.1Å; P375-Y378 HydrophobicContact CG-CE1 3.52Å; P375-Y378 HydrophobicContact CG-CE2 3.85Å; P375-Y378 HydrophobicContact CG-CG 4.07Å; Y378-N380 PolarHBondContact O-N 3.48Å
379H61.6Low75.2Confident133 Ų13373.1 Ų73.162%0.61637%0.368SS*.  trans-71.3104.5175-17562.6000109.3T347 L381T347-H379 HydrophobicContact CG2-CB 4.34Å; H379-L381 PolarHBondContact O-N 2.79Å
380N63.1Low74.8Confident98 Ų9875.4 Ų75.452%0.52438%0.377SS..  trans-54.5129.1174.9-69.8-57.3000110.1Y378 Q445Y378-N380 PolarHBondContact O-N 3.48Å; N380-Q445 PolarHBondContact OD1-NE2 2.85Å
381L66.4Low74.9Confident22 Ų2272.1 Ų72.112%0.11536%0.358CS..  trans-65.9147.8172.9-59.9169000108.6H379 T383 Q445 Y464 Q466H379-L381 PolarHBondContact O-N 2.79Å; L381-T383 PolarHBondContact O-N 3.37Å; L381-Q445 HydrophobicContact CD1-CB 3.89Å; L381-Q445 HydrophobicContact CG-CB 4.5Å; L381-Y464 HydrophobicContact CB-CD1 3.76Å; L381-Y464 HydrophobicContact CB-CE1 3.67Å; L381-Y464 HydrophobicContact CD1-CD1 3.64Å; L381-Y464 HydrophobicContact CD1-CE1 3.72Å; L381-Y464 HydrophobicContact CD2-CE1 4.16Å; L381-Y464 HydrophobicContact CG-CD1 4.22Å; L381-Y464 HydrophobicContact CG-CE1 4.03Å; L381-Q466 HydrophobicContact CD1-CB 4.4Å; L381-Q466 VanDerWaalsContact CD2-OE1 3.3Å
382N62.3Low75.1Confident112 Ų11269.2 Ų69.260%0.59934%0.343SS*.  trans-66.791.9-176-77.4-12.4000111.1S384 T387N382-S384 PolarHBondContact O-N 3.03Å; N382-S384 VanDerWaalsContact O-N 3.14Å; N382-T387 HydrophobicContact CB-CG2 4.3Å; N382-T387 WeakPolarHBondContact O-CB 3.45Å; N382-T387 WeakPolarHBondContact O-CG2 3.32Å; N382-T387 PolarHBondContact O-OG1 3.42Å
383T65.1Low75.2Confident64 Ų6468.2 Ų68.239%0.39334%0.339SS..  trans-80.523.8173.756.30000112.7L381 V447L381-T383 PolarHBondContact O-N 3.37Å; T383-V447 HydrophobicContact CG2-CG2 3.94Å
384S68.8Low75.3Confident46 Ų4667.7 Ų67.732%0.32233%0.334SS..SBendtrans-63.4157.3174.259.30000111.3N382 E386 T387 W391N382-S384 PolarHBondContact O-N 3.03Å; N382-S384 VanDerWaalsContact O-N 3.14Å; S384-E386 PolarHBondContact O-N 3.43Å; S384-T387 PolarHBondContact O-N 3.48Å; S384-T387 PolarHBondContact O-OG1 3.04Å; S384-W391 WeakPolarHBondContact O-CZ2 3.41Å
385V68.4Low75.5Confident97 Ų9765.6 Ų65.659%0.58833%0.326SS*.G310 helixtrans-55.9-25.3-180170.70000112.7T387 R388V385-T387 VanDerWaalsContact C-N 3.32Å; V385-T387 PolarHBondContact O-N 2.93Å; V385-R388 WeakPolarHBondContact O-CD 3.45Å; V385-R388 VanDerWaalsContact O-CG 3.26Å; V385-R388 WeakPolarHBondContact O-CG 3.48Å
386E68.4Low75.9Confident166 Ų16665.5 Ų65.578%0.77633%0.325SS*.G310 helixtrans-67.5-24.6177.5-62168.2164.900113.6S384 R388S384-E386 PolarHBondContact O-N 3.43Å; E386-R388 VanDerWaalsContact C-N 3.34Å; E386-R388 PolarHBondContact O-N 2.81Å
387T77.1Confident76.4Confident18 Ų1863.6 Ų63.611%0.1131%0.314CS..G310 helixtrans-90.59.4-177.565.50000114.5N382 S384 V385 D389 F390 W391 Y464N382-T387 HydrophobicContact CB-CG2 4.3Å; N382-T387 WeakPolarHBondContact O-CB 3.45Å; N382-T387 WeakPolarHBondContact O-CG2 3.32Å; N382-T387 PolarHBondContact O-OG1 3.42Å; S384-T387 PolarHBondContact O-N 3.48Å; S384-T387 PolarHBondContact O-OG1 3.04Å; V385-T387 VanDerWaalsContact C-N 3.32Å; V385-T387 PolarHBondContact O-N 2.93Å; T387-D389 PolarHBondContact O-N 2.96Å; T387-D389 VanDerWaalsContact O-N 3.14Å; T387-F390 WeakPolarHBondContact O-CA 3.13Å; T387-F390 WeakPolarHBondContact O-CB 3.49Å; T387-F390 WeakPolarHBondContact O-CD2 3.23Å; T387-F390 PolarHBondContact O-N 2.81Å; T387-W391 PolarHBondContact O-NE1 2.9Å; T387-W391 PolarHBondContact OG1-NE1 3.15Å; T387-Y464 HydrophobicContact CG2-CE2 4.35Å
388R78.8Confident76.9Confident116 Ų11662.6 Ų62.644%0.43831%0.312SS..G310 helixtrans-55.8-30.1-179.3-77.8174.3175.1-179.20.3114.7V385 E386 F390 W391 V505V385-R388 WeakPolarHBondContact O-CD 3.45Å; V385-R388 VanDerWaalsContact O-CG 3.26Å; V385-R388 WeakPolarHBondContact O-CG 3.48Å; E386-R388 VanDerWaalsContact C-N 3.34Å; E386-R388 PolarHBondContact O-N 2.81Å; R388-F390 PolarHBondContact O-N 2.97Å; R388-W391 HydrophobicContact CB-CD2 4.46Å; R388-W391 HydrophobicContact CG-CD2 3.97Å; R388-W391 HydrophobicContact CG-CE3 3.77Å; R388-W391 HydrophobicContact CG-CH2 3.75Å; R388-W391 HydrophobicContact CG-CZ2 3.92Å; R388-W391 HydrophobicContact CG-CZ3 3.67Å; R388-W391 PolarHBondContact O-N 3.22Å; R388-W391 VanDerWaalsContact O-N 3.16Å; R388-V505 HydrophobicContact CB-CG2 3.93Å
389D78Confident77.8Confident74 Ų7455.9 Ų55.940%0.39629%0.285SS..G310 helixtrans-65.4-12.8174.4-69.1-28000114T387 S473 G474 V505T387-D389 PolarHBondContact O-N 2.96Å; T387-D389 VanDerWaalsContact O-N 3.14Å; D389-S473 PolarHBondContact O-OG 3.35Å; D389-G474 PolarHBondContact O-N 3.26Å; D389-V505 WeakPolarHBondContact OD1-CB 3.25Å; D389-V505 WeakPolarHBondContact OD1-CG1 3.3Å; D389-V505 WeakPolarHBondContact OD1-CG2 3.22Å
390F83.6Confident78.8Confident60 Ų6055 Ų5526%0.26329%0.285SS..G310 helixtrans-109.71.5179.4-51-82.3000112.6T387 R388 Y464 P471T387-F390 WeakPolarHBondContact O-CA 3.13Å; T387-F390 WeakPolarHBondContact O-CB 3.49Å; T387-F390 WeakPolarHBondContact O-CD2 3.23Å; T387-F390 PolarHBondContact O-N 2.81Å; R388-F390 PolarHBondContact O-N 2.97Å; F390-Y464 HydrophobicContact CB-CD2 3.71Å; F390-Y464 HydrophobicContact CB-CE2 3.64Å; F390-Y464 HydrophobicContact CG-CE2 4.26Å; F390-P471 HydrophobicContact CD1-CB 3.6Å; F390-P471 HydrophobicContact CE1-CB 3.82Å; F390-P471 HydrophobicContact CE1-CG 4.26Å; F390-P471 HydrophobicContact CG-CB 4.04Å; F390-P471 HydrophobicContact CZ-CB 4.42Å
391W87.4Confident79.3Confident27 Ų2754.6 Ų54.610%0.10228%0.283CS..EExtended strand (participates in β ladder)trans-89139179.3-60.93.9000111.2S384 T387 R388 V447 T462 Y463 Y464 V504S384-W391 WeakPolarHBondContact O-CZ2 3.41Å; T387-W391 PolarHBondContact O-NE1 2.9Å; T387-W391 PolarHBondContact OG1-NE1 3.15Å; R388-W391 HydrophobicContact CB-CD2 4.46Å; R388-W391 HydrophobicContact CG-CD2 3.97Å; R388-W391 HydrophobicContact CG-CE3 3.77Å; R388-W391 HydrophobicContact CG-CH2 3.75Å; R388-W391 HydrophobicContact CG-CZ2 3.92Å; R388-W391 HydrophobicContact CG-CZ3 3.67Å; R388-W391 PolarHBondContact O-N 3.22Å; R388-W391 VanDerWaalsContact O-N 3.16Å; W391-V447 HydrophobicContact CD2-CG1 4.08Å; W391-V447 HydrophobicContact CD2-CG2 4.18Å; W391-V447 HydrophobicContact CE3-CG1 3.97Å; W391-V447 HydrophobicContact CG-CG2 4.32Å; W391-V447 HydrophobicContact CH2-CG1 3.66Å; W391-V447 HydrophobicContact CZ2-CG1 3.77Å; W391-V447 HydrophobicContact CZ3-CG1 3.76Å; W391-T462 HydrophobicContact CB-CG2 4.05Å; W391-T462 HydrophobicContact CD2-CG2 4.36Å; W391-T462 HydrophobicContact CE3-CG2 3.87Å; W391-T462 HydrophobicContact CG-CG2 4.46Å; W391-Y463 WeakPolarHBondContact CA-O 3.24Å; W391-Y464 AromaticContact CD1-CD2 3.98Å; W391-V504 HydrophobicContact CB-CB 3.91Å; W391-V504 HydrophobicContact CB-CG2 3.45Å; W391-V504 VanDerWaalsContact CB-CG2 3.45Å; W391-V504 HydrophobicContact CE3-CG1 4.45Å; W391-V504 HydrophobicContact CE3-CG2 4.34Å; W391-V504 PolarHBondContact O-N 3.49Å
392V88.5Confident79.6Confident0 Ų056.5 Ų56.50%030%0.302CS..EExtended strand (participates in β ladder)trans-114.8143.1174.5-175.80000109.3T394 T462 Y463 A477 A478 A501V392-T394 HydrophobicContact CG1-CG2 4.45Å; V392-T462 VanDerWaalsContact O-CA 3.31Å; V392-T462 WeakPolarHBondContact O-CA 3.27Å; V392-Y463 HydrophobicContact CB-CD2 4.31Å; V392-Y463 HydrophobicContact CB-CE2 3.68Å; V392-Y463 HydrophobicContact CG1-CE2 4.12Å; V392-Y463 VanDerWaalsContact CG1-OH 3.3Å; V392-Y463 WeakPolarHBondContact CG1-OH 3.34Å; V392-Y463 HydrophobicContact CG2-CE2 4.28Å; V392-Y463 PolarHBondContact N-O 3.3Å; V392-Y463 PolarHBondContact O-N 2.84Å; V392-A477 HydrophobicContact CG2-CB 3.47Å; V392-A477 VanDerWaalsContact CG2-CB 3.47Å; V392-A478 HydrophobicContact CG1-CB 4.29Å; V392-A501 HydrophobicContact CG1-CB 3.74Å
393V89.5Confident80.2Confident17 Ų1752 Ų5210%0.10328%0.279CS..EExtended strand (participates in β ladder)trans-108.9135.1174.1-171.30000109.4E460 M461 A501 E502 V504V393-E460 HydrophobicContact CG1-CG 3.33Å; V393-M461 WeakPolarHBondContact CA-O 3.27Å; V393-A501 WeakPolarHBondContact O-CA 3.44Å; V393-E502 PolarHBondContact N-O 3.03Å; V393-E502 PolarHBondContact O-N 2.89Å; V393-V504 HydrophobicContact CG2-CB 4.35Å; V393-V504 HydrophobicContact CG2-CG2 3.35Å
394T89.1Confident80.6Confident1 Ų150.1 Ų50.11%0.00627%0.266CS..EExtended strand (participates in β ladder)trans-136.1139.8167.861.30000109.3V392 M461 Y463 V499 Q500 A501V392-T394 HydrophobicContact CG1-CG2 4.45Å; T394-M461 PolarHBondContact N-O 2.81Å; T394-M461 PolarHBondContact O-N 3.23Å; T394-M461 WeakPolarHBondContact OG1-CE 3.45Å; T394-M461 WeakPolarHBondContact OG1-CG 3.4Å; T394-Y463 HydrophobicContact CG2-CE1 3.66Å; T394-Y463 WeakPolarHBondContact CG2-OH 3.48Å; T394-V499 WeakPolarHBondContact CA-O 3.49Å; T394-Q500 WeakPolarHBondContact CG2-O 3.25Å; T394-A501 HydrophobicContact CG2-CB 4.23Å
395V89.9Confident80.6Confident19 Ų1956 Ų5612%0.11529%0.289CS..EExtended strand (participates in β ladder)trans-107.6120.3179.4-1770000109.2P458 A459 E460 Q498 V499V395-P458 HydrophobicContact CG1-CB 3.87Å; V395-A459 WeakPolarHBondContact CA-O 3.39Å; V395-E460 HydrophobicContact CG2-CB 4.42Å; V395-Q498 HydrophobicContact CB-CB 4.32Å; V395-Q498 HydrophobicContact CG1-CB 4.17Å; V395-Q498 PolarHBondContact O-N 3.44Å; V395-V499 HydrophobicContact CB-CB 3.91Å; V395-V499 HydrophobicContact CB-CG2 3.94Å; V395-V499 HydrophobicContact CG2-CB 3.96Å; V395-V499 HydrophobicContact CG2-CG2 3.88Å; V395-V499 PolarHBondContact N-O 3.42Å; V395-V499 PolarHBondContact O-N 3.44Å
396I90.8Very high80.5Confident0 Ų054.1 Ų54.10%029%0.289CS..EExtended strand (participates in β ladder)trans-108.8148.717752.9173.1000110.3V399 F411 M415 I449 P458 A459 M461 L493 Y495 F496 V497I396-V399 HydrophobicContact CB-CG2 4.43Å; I396-V399 HydrophobicContact CD1-CG2 3.56Å; I396-V399 HydrophobicContact CG1-CG2 3.72Å; I396-F411 HydrophobicContact CD1-CZ 4.02Å; I396-M415 HydrophobicContact CD1-CE 3.94Å; I396-I449 HydrophobicContact CD1-CD1 4.28Å; I396-P458 CarbonylContact O-C 3.48Å; I396-P458 VanDerWaalsContact O-CA 3.26Å; I396-P458 WeakPolarHBondContact O-CA 3.25Å; I396-A459 HydrophobicContact CG1-CB 4.27Å; I396-A459 WeakPolarHBondContact CG1-O 3.46Å; I396-A459 PolarHBondContact N-O 3.47Å; I396-A459 PolarHBondContact O-N 2.81Å; I396-M461 HydrophobicContact CD1-SD 4.5Å; I396-L493 HydrophobicContact CG2-CD1 4.12Å; I396-Y495 HydrophobicContact CD1-CD2 4.39Å; I396-Y495 HydrophobicContact CD1-CG 4.45Å; I396-F496 CarbonylContact C-O 3.54Å; I396-F496 WeakPolarHBondContact CA-O 3.25Å; I396-V497 HydrophobicContact CG2-CG2 4.35Å
397Q88.5Confident80.9Confident35 Ų3551.1 Ų51.116%0.16428%0.275CS..SBendtrans-106.1165.3-179.1-66.8-178.7-7.700111.7V399 K456 F496 Q498Q397-V399 VanDerWaalsContact C-N 3.28Å; Q397-V399 PolarHBondContact O-N 3.16Å; Q397-K456 HydrophobicContact CB-CB 4.18Å; Q397-K456 HydrophobicContact CG-CB 4.38Å; Q397-F496 HydrophobicContact CB-CB 4.22Å; Q397-F496 PolarHBondContact N-O 3.4Å; Q397-Q498 HydrophobicContact CG-CB 4.15Å
398D84.3Confident80.9Confident68 Ų6854.1 Ų54.136%0.36429%0.285SS..SBendtrans57.737.3173.3-57.6-48.2000113.4K456D398-K456 PolarHBondContact N-O 2.78Å; D398-K456 VanDerWaalsContact OD1-CB 3.29Å; D398-K456 WeakPolarHBondContact OD1-CB 3.26Å; D398-K456 IonicContact OD1-NZ 2.65Å; D398-K456 IonicContact OD2-NZ 2.81Å; D398-K456 PolarHBondContact OD2-NZ 2.93Å
399V85.1Confident80.8Confident0 Ų055.4 Ų55.40%030%0.296CS..  trans-90.7127.7175.6-179.70000110.7I396 Q397 S403 L404 F411 R451 A459 Y495I396-V399 HydrophobicContact CB-CG2 4.43Å; I396-V399 HydrophobicContact CD1-CG2 3.56Å; I396-V399 HydrophobicContact CG1-CG2 3.72Å; Q397-V399 VanDerWaalsContact C-N 3.28Å; Q397-V399 PolarHBondContact O-N 3.16Å; V399-S403 WeakPolarHBondContact CG1-OG 3.4Å; V399-L404 HydrophobicContact CG1-CD1 4.37Å; V399-L404 HydrophobicContact CG1-CD2 4.2Å; V399-L404 HydrophobicContact CG1-CG 4.13Å; V399-F411 HydrophobicContact CG1-CE2 4.29Å; V399-F411 HydrophobicContact CG1-CZ 4.22Å; V399-R451 PolarHBondContact O-NH2 3.38Å; V399-A459 HydrophobicContact CB-CB 4.18Å; V399-A459 HydrophobicContact CG1-CB 4.39Å; V399-A459 HydrophobicContact CG2-CB 4.13Å; V399-Y495 HydrophobicContact CG2-CD1 3.96Å; V399-Y495 HydrophobicContact CG2-CE1 4.13Å; V399-Y495 HydrophobicContact CG2-CG 4.45Å
400D82.1Confident80.6Confident115 Ų11555.3 Ų55.362%0.61530%0.301SS*.  trans-68.7144.7179.1-73.6-48.4000113.9A402 S403D400-A402 VanDerWaalsContact C-N 3.31Å; D400-A402 PolarHBondContact O-N 3.24Å; D400-S403 PolarHBondContact O-N 3.38Å; D400-S403 PolarHBondContact O-OG 3.15Å
401N74.2Confident80.5Confident90 Ų9053.1 Ų53.148%0.48129%0.292SS..Hα-helixtrans-59.4-39.5174.4-70.8-25.1000112.7S403 L404 E405 R451N401-S403 VanDerWaalsContact C-N 3.3Å; N401-S403 PolarHBondContact O-N 3.14Å; N401-L404 PolarHBondContact O-N 2.76Å; N401-E405 PolarHBondContact O-N 2.86Å; N401-R451 VanDerWaalsContact OD1-CZ 3.25Å; N401-R451 PolarHBondContact OD1-NE 2.8Å; N401-R451 PolarHBondContact OD1-NH2 3.18Å
402A71.1Confident80.2Confident61 Ų6152 Ų5250%0.50429%0.288SS..Hα-helixtrans-58.3-41.6179.500000112.2D400 L404 E405 G406 Q407D400-A402 VanDerWaalsContact C-N 3.31Å; D400-A402 PolarHBondContact O-N 3.24Å; A402-L404 PolarHBondContact O-N 3.49Å; A402-E405 PolarHBondContact O-N 3.09Å; A402-G406 WeakPolarHBondContact O-CA 3.3Å; A402-G406 PolarHBondContact O-N 3.31Å; A402-Q407 PolarHBondContact O-N 3.14Å; A402-Q407 PolarHBondContact O-OE1 3.13Å
403S74.8Confident79.5Confident17 Ų1754.8 Ų54.812%0.11931%0.308CS..Hα-helixtrans-61.7-30.6-179.7730000113.7V399 D400 N401 Q407 Y408V399-S403 WeakPolarHBondContact CG1-OG 3.4Å; D400-S403 PolarHBondContact O-N 3.38Å; D400-S403 PolarHBondContact O-OG 3.15Å; N401-S403 VanDerWaalsContact C-N 3.3Å; N401-S403 PolarHBondContact O-N 3.14Å; S403-Q407 CarbonylContact O-C 3.48Å; S403-Q407 VanDerWaalsContact O-C 3.27Å; S403-Y408 WeakPolarHBondContact O-CA 3.4Å; S403-Y408 PolarHBondContact O-N 3.31Å
404L74.4Confident79.1Confident25 Ų2557 Ų5713%0.13132%0.318CS..Hα-helixtrans-83.6-34.5-179.1-63.6172.2000112.9V399 N401 A402 I449 R451V399-L404 HydrophobicContact CG1-CD1 4.37Å; V399-L404 HydrophobicContact CG1-CD2 4.2Å; V399-L404 HydrophobicContact CG1-CG 4.13Å; N401-L404 PolarHBondContact O-N 2.76Å; A402-L404 PolarHBondContact O-N 3.49Å; L404-I449 HydrophobicContact CD2-CB 4.33Å; L404-I449 HydrophobicContact CD2-CD1 3.63Å; L404-I449 HydrophobicContact CD2-CG1 3.68Å; L404-I449 HydrophobicContact CD2-CG2 3.77Å; L404-R451 HydrophobicContact CD1-CB 4.26Å
405E69.1Low78.8Confident170 Ų17056.9 Ų56.979%0.79432%0.318SS*.Hα-helixtrans-104.4-39.3-171.1-65.1179.7172.200113.4N401 A402N401-E405 PolarHBondContact O-N 2.86Å; A402-E405 PolarHBondContact O-N 3.09Å
406G66.3Low78.6Confident58 Ų5858.1 Ų58.160%0.59832%0.322SS*.THydrogen-bonded Turntrans-102.2-30.3-176.600000114.7A402A402-G406 WeakPolarHBondContact O-CA 3.3Å; A402-G406 PolarHBondContact O-N 3.31Å
407Q76.3Confident78.1Confident103 Ų10364.3 Ų64.348%0.48135%0.351SS..SBendtrans-119.723.8-176.3-70.782.818.700113.8A402 S403 Q409 S410 F411A402-Q407 PolarHBondContact O-N 3.14Å; A402-Q407 PolarHBondContact O-OE1 3.13Å; S403-Q407 CarbonylContact O-C 3.48Å; S403-Q407 VanDerWaalsContact O-C 3.27Å; Q407-Q409 VanDerWaalsContact C-N 3.29Å; Q407-Q409 PolarHBondContact O-N 2.99Å; Q407-Q409 VanDerWaalsContact O-N 3.11Å; Q407-S410 PolarHBondContact O-N 3.32Å; Q407-S410 PolarHBondContact O-OG 2.85Å; Q407-S410 VanDerWaalsContact O-OG 3.08Å; Q407-F411 WeakPolarHBondContact O-CB 3.15Å; Q407-F411 PolarHBondContact O-N 2.83Å
408Y77.8Confident77.9Confident80 Ų8066.5 Ų66.531%0.31436%0.358SS..Hα-helixtrans-45.4-48.9-176.1-178.1-83.1000113.5S403 F411 A412 I449S403-Y408 WeakPolarHBondContact O-CA 3.4Å; S403-Y408 PolarHBondContact O-N 3.31Å; Y408-F411 PolarHBondContact O-N 3.48Å; Y408-A412 HydrophobicContact CE1-CB 4.28Å; Y408-A412 WeakPolarHBondContact O-CB 3.37Å; Y408-A412 PolarHBondContact O-N 3.46Å; Y408-I449 HydrophobicContact CD2-CG2 3.98Å; Y408-I449 HydrophobicContact CE2-CG2 3.5Å
409Q76.2Confident78Confident143 Ų14363.3 Ų63.367%0.66834%0.341SS*.Hα-helixtrans-66.8-42.7-173.7-166.765.83000112.8Q407 S413Q407-Q409 VanDerWaalsContact C-N 3.29Å; Q407-Q409 PolarHBondContact O-N 2.99Å; Q407-Q409 VanDerWaalsContact O-N 3.11Å; Q409-S413 PolarHBondContact O-N 3.45Å; Q409-S413 VanDerWaalsContact O-N 3.07Å; Q409-S413 PolarHBondContact O-OG 2.86Å
410S74.7Confident78Confident72 Ų7264.4 Ų64.450%0.50335%0.35SS..Hα-helixtrans-76.2-30.9179.144.20000112.4Q407 S413 L414Q407-S410 PolarHBondContact O-N 3.32Å; Q407-S410 PolarHBondContact O-OG 2.85Å; Q407-S410 VanDerWaalsContact O-OG 3.08Å; S410-S413 WeakPolarHBondContact CA-OG 3.17Å; S410-S413 PolarHBondContact O-OG 3.22Å; S410-S413 VanDerWaalsContact O-OG 3.1Å; S410-L414 WeakPolarHBondContact O-CB 3.43Å; S410-L414 PolarHBondContact O-N 3.25Å
411F80.1Confident78Confident14 Ų1462.7 Ų62.76%0.06134%0.341CS..Hα-helixtrans-66-47.3169.4-177.5-86.8000111.1I396 V399 Q407 Y408 S413 L414 M415 I449 Y495I396-F411 HydrophobicContact CD1-CZ 4.02Å; V399-F411 HydrophobicContact CG1-CE2 4.29Å; V399-F411 HydrophobicContact CG1-CZ 4.22Å; Q407-F411 WeakPolarHBondContact O-CB 3.15Å; Q407-F411 PolarHBondContact O-N 2.83Å; Y408-F411 PolarHBondContact O-N 3.48Å; F411-S413 PolarHBondContact O-N 3.36Å; F411-L414 PolarHBondContact O-N 3.47Å; F411-M415 HydrophobicContact CD1-CG 3.97Å; F411-M415 HydrophobicContact CE1-CG 3.45Å; F411-M415 VanDerWaalsContact CE1-CG 3.45Å; F411-M415 HydrophobicContact CE1-SD 4.47Å; F411-M415 HydrophobicContact CE2-CG 4.27Å; F411-M415 HydrophobicContact CZ-CG 3.63Å; F411-M415 HydrophobicContact CZ-SD 4.08Å; F411-M415 WeakPolarHBondContact O-CG 3.43Å; F411-M415 PolarHBondContact O-N 2.99Å; F411-I449 HydrophobicContact CD1-CD1 4.31Å; F411-I449 HydrophobicContact CE1-CD1 3.45Å; F411-I449 VanDerWaalsContact CE1-CD1 3.45Å; F411-I449 HydrophobicContact CZ-CD1 4.08Å; F411-Y495 AromaticContact CE2-CE2 3.82Å; F411-Y495 HydrophobicContact CE2-CE2 3.82Å; F411-Y495 AromaticContact CE2-CZ 3.88Å; F411-Y495 HydrophobicContact CZ-CE2 4.22Å
412A81.7Confident78.6Confident3 Ų358.4 Ų58.43%0.02532%0.318CS..Hα-helixtrans-57.4-50.7177.500000111.5Y408 L414 M415 E416 M446Y408-A412 HydrophobicContact CE1-CB 4.28Å; Y408-A412 WeakPolarHBondContact O-CB 3.37Å; Y408-A412 PolarHBondContact O-N 3.46Å; A412-L414 VanDerWaalsContact C-N 3.31Å; A412-L414 PolarHBondContact O-N 3.4Å; A412-M415 PolarHBondContact O-N 3.12Å; A412-M415 VanDerWaalsContact O-N 3.14Å; A412-E416 WeakPolarHBondContact O-CB 3.34Å; A412-E416 VanDerWaalsContact O-CG 3.26Å; A412-E416 WeakPolarHBondContact O-CG 3.34Å; A412-E416 PolarHBondContact O-N 2.9Å; A412-M446 HydrophobicContact CB-CB 4.06Å; A412-M446 HydrophobicContact CB-CG 4.18Å
413S72.9Confident79.2Confident59 Ų5955.5 Ų55.541%0.41329%0.294SS..Hα-helixtrans-62.4-35.7178.957.80000113.7Q409 S410 F411 E416 Q417Q409-S413 PolarHBondContact O-N 3.45Å; Q409-S413 VanDerWaalsContact O-N 3.07Å; Q409-S413 PolarHBondContact O-OG 2.86Å; S410-S413 WeakPolarHBondContact CA-OG 3.17Å; S410-S413 PolarHBondContact O-OG 3.22Å; S410-S413 VanDerWaalsContact O-OG 3.1Å; F411-S413 PolarHBondContact O-N 3.36Å; S413-E416 WeakPolarHBondContact CA-OE2 3.44Å; S413-Q417 PolarHBondContact O-N 3.32Å; S413-Q417 VanDerWaalsContact O-N 3.09Å
414L82.1Confident79.6Confident63 Ų6356.3 Ų56.333%0.3330%0.298SS..Hα-helixtrans-68.1-38.6175.8173147.1000111.5S410 F411 A412 R418S410-L414 WeakPolarHBondContact O-CB 3.43Å; S410-L414 PolarHBondContact O-N 3.25Å; F411-L414 PolarHBondContact O-N 3.47Å; A412-L414 VanDerWaalsContact C-N 3.31Å; A412-L414 PolarHBondContact O-N 3.4Å; L414-R418 VanDerWaalsContact O-CG 3.3Å; L414-R418 WeakPolarHBondContact O-CG 3.24Å; L414-R418 PolarHBondContact O-N 3.07Å; L414-R418 VanDerWaalsContact O-N 3.09Å
415M83.5Confident80.1Confident0 Ų058.5 Ų58.50%031%0.31CS..Hα-helixtrans-75.1-34.7176.7-67-58-67.800112.4I396 F411 A412 R418 L419 M446 M461 L493 Y495I396-M415 HydrophobicContact CD1-CE 3.94Å; F411-M415 HydrophobicContact CD1-CG 3.97Å; F411-M415 HydrophobicContact CE1-CG 3.45Å; F411-M415 VanDerWaalsContact CE1-CG 3.45Å; F411-M415 HydrophobicContact CE1-SD 4.47Å; F411-M415 HydrophobicContact CE2-CG 4.27Å; F411-M415 HydrophobicContact CZ-CG 3.63Å; F411-M415 HydrophobicContact CZ-SD 4.08Å; F411-M415 WeakPolarHBondContact O-CG 3.43Å; F411-M415 PolarHBondContact O-N 2.99Å; A412-M415 PolarHBondContact O-N 3.12Å; A412-M415 VanDerWaalsContact O-N 3.14Å; M415-R418 PolarHBondContact O-N 2.8Å; M415-L419 VanDerWaalsContact O-CB 3.22Å; M415-L419 WeakPolarHBondContact O-CB 3.25Å; M415-L419 WeakPolarHBondContact O-CD1 3.08Å; M415-L419 WeakPolarHBondContact O-CG 3.33Å; M415-L419 PolarHBondContact O-N 2.82Å; M415-M446 HydrophobicContact CB-CE 3.8Å; M415-M461 HydrophobicContact CB-SD 4.3Å; M415-M461 HydrophobicContact CE-CE 3.52Å; M415-M461 HydrophobicContact CE-SD 3.5Å; M415-M461 WeakPolarHBondContact CE-SD 3.24Å; M415-L493 HydrophobicContact CE-CB 4.24Å; M415-L493 HydrophobicContact CE-CD1 4.28Å; M415-L493 HydrophobicContact CE-CD2 3.8Å; M415-L493 HydrophobicContact CE-CG 4.31Å; M415-Y495 HydrophobicContact CE-CD2 4.44Å; M415-Y495 HydrophobicContact SD-CD2 4.07Å; M415-Y495 HydrophobicContact SD-CE2 4.1Å
416E85.6Confident80.6Confident44 Ų4450.5 Ų50.521%0.20627%0.272CS..Hα-helixtrans-59-46.3171.3-74.6167.8167.300111.3A412 S413 L419 A420 Q445 M446A412-E416 WeakPolarHBondContact O-CB 3.34Å; A412-E416 VanDerWaalsContact O-CG 3.26Å; A412-E416 WeakPolarHBondContact O-CG 3.34Å; A412-E416 PolarHBondContact O-N 2.9Å; S413-E416 WeakPolarHBondContact CA-OE2 3.44Å; E416-L419 PolarHBondContact O-N 3.16Å; E416-A420 WeakPolarHBondContact O-CB 3.49Å; E416-A420 PolarHBondContact O-N 3.09Å; E416-Q445 WeakPolarHBondContact OE1-CA 3.28Å; E416-M446 HydrophobicContact CG-CB 4.11Å; E416-M446 WeakPolarHBondContact OE1-CB 3.26Å; E416-M446 PolarHBondContact OE1-N 3.42Å
417Q79Confident80.8Confident130 Ų13049.5 Ų49.561%0.60726%0.262SS*.Hα-helixtrans-60.7-53.6174.5-176.5-179.2-5.400111.5S413 L419 A420 D421S413-Q417 PolarHBondContact O-N 3.32Å; S413-Q417 VanDerWaalsContact O-N 3.09Å; Q417-L419 VanDerWaalsContact C-N 3.26Å; Q417-L419 PolarHBondContact O-N 3.04Å; Q417-A420 PolarHBondContact O-N 2.93Å; Q417-A420 VanDerWaalsContact O-N 3.09Å; Q417-D421 PolarHBondContact O-N 2.84Å
418R85.5Confident80.1Confident82 Ų8251 Ų5131%0.30927%0.269SS..Hα-helixtrans-63.2-31.2-178.3-70.6174.6174.3-169.8-0.5112.9L414 M415 L422 T492 L493L414-R418 VanDerWaalsContact O-CG 3.3Å; L414-R418 WeakPolarHBondContact O-CG 3.24Å; L414-R418 PolarHBondContact O-N 3.07Å; L414-R418 VanDerWaalsContact O-N 3.09Å; M415-R418 PolarHBondContact O-N 2.8Å; R418-L422 PolarHBondContact O-N 2.84Å; R418-L422 VanDerWaalsContact O-N 3.11Å; R418-T492 WeakPolarHBondContact CB-O 3.17Å; R418-T492 VanDerWaalsContact CD-O 3.25Å; R418-T492 WeakPolarHBondContact CD-O 3.24Å; R418-T492 VanDerWaalsContact CG-O 3.29Å; R418-T492 WeakPolarHBondContact CG-O 3.24Å; R418-L493 HydrophobicContact CB-CD2 3.9Å; R418-L493 WeakPolarHBondContact CD-O 3.31Å; R418-L493 PolarHBondContact NH1-O 2.85Å
419L86.6Confident79Confident1 Ų152.7 Ų52.71%0.00528%0.28CS..Hα-helixtrans-70.5-43.6171.4-78.8167.3000112.3M415 E416 Q417 D421 L422 F423 V444 M446 M461 Y463 L493M415-L419 VanDerWaalsContact O-CB 3.22Å; M415-L419 WeakPolarHBondContact O-CB 3.25Å; M415-L419 WeakPolarHBondContact O-CD1 3.08Å; M415-L419 WeakPolarHBondContact O-CG 3.33Å; M415-L419 PolarHBondContact O-N 2.82Å; E416-L419 PolarHBondContact O-N 3.16Å; Q417-L419 VanDerWaalsContact C-N 3.26Å; Q417-L419 PolarHBondContact O-N 3.04Å; L419-D421 VanDerWaalsContact C-N 3.32Å; L419-D421 PolarHBondContact O-N 2.93Å; L419-L422 WeakPolarHBondContact O-CB 3.22Å; L419-L422 PolarHBondContact O-N 2.85Å; L419-L422 VanDerWaalsContact O-N 3.15Å; L419-F423 VanDerWaalsContact O-CD2 3.25Å; L419-F423 WeakPolarHBondContact O-CD2 3.47Å; L419-F423 PolarHBondContact O-N 3.17Å; L419-V444 HydrophobicContact CB-CB 4.34Å; L419-V444 HydrophobicContact CB-CG1 3.93Å; L419-V444 HydrophobicContact CB-CG2 4.26Å; L419-V444 HydrophobicContact CD1-CG1 3.94Å; L419-M446 HydrophobicContact CD1-CE 4.11Å; L419-M461 HydrophobicContact CD1-CE 3.74Å; L419-M461 HydrophobicContact CD1-SD 4.14Å; L419-M461 HydrophobicContact CD2-CE 3.77Å; L419-M461 HydrophobicContact CG-CE 3.93Å; L419-Y463 HydrophobicContact CD1-CD1 3.47Å; L419-Y463 VanDerWaalsContact CD1-CD1 3.47Å; L419-Y463 HydrophobicContact CD1-CD2 4.15Å; L419-Y463 HydrophobicContact CD1-CE1 3.7Å; L419-Y463 HydrophobicContact CD1-CE2 4.35Å; L419-Y463 HydrophobicContact CD1-CG 3.73Å; L419-Y463 HydrophobicContact CD2-CD1 4.49Å; L419-Y463 HydrophobicContact CD2-CE1 3.86Å; L419-Y463 HydrophobicContact CD2-CE2 4.32Å; L419-Y463 HydrophobicContact CG-CE1 4.46Å; L419-L493 HydrophobicContact CD2-CD2 4.16Å; L419-L493 HydrophobicContact CG-CD2 4.15Å
420A83.9Confident77.8Confident22 Ų2248.5 Ų48.518%0.18228%0.275CS..Hα-helixtrans-60.6-4317700000111.3E416 Q417 L422 F423 V424 V444E416-A420 WeakPolarHBondContact O-CB 3.49Å; E416-A420 PolarHBondContact O-N 3.09Å; Q417-A420 PolarHBondContact O-N 2.93Å; Q417-A420 VanDerWaalsContact O-N 3.09Å; A420-L422 PolarHBondContact O-N 2.88Å; A420-F423 PolarHBondContact O-N 2.99Å; A420-V424 WeakPolarHBondContact O-CG2 3.41Å; A420-V424 PolarHBondContact O-N 2.92Å; A420-V444 HydrophobicContact CB-CG2 4.27Å
421D82.4Confident76.4Confident79 Ų7950 Ų5042%0.42228%0.281SS..Hα-helixtrans-59.9-42.9172.7-72-33.2000111.6Q417 L419 F423 V424 L425 T492Q417-D421 PolarHBondContact O-N 2.84Å; L419-D421 VanDerWaalsContact C-N 3.32Å; L419-D421 PolarHBondContact O-N 2.93Å; D421-F423 PolarHBondContact O-N 3.36Å; D421-V424 PolarHBondContact O-N 2.95Å; D421-L425 WeakPolarHBondContact O-CG 3.33Å; D421-L425 PolarHBondContact O-N 2.9Å; D421-T492 HydrophobicContact CB-CG2 4.2Å
422L86Confident74.9Confident1 Ų160.8 Ų60.81%0.00532%0.321CS..Hα-helixtrans-62.2-40.8174.3-86176.8000113.8R418 L419 A420 V424 L425 A426 L481 V484 M489 T492 L493R418-L422 PolarHBondContact O-N 2.84Å; R418-L422 VanDerWaalsContact O-N 3.11Å; L419-L422 WeakPolarHBondContact O-CB 3.22Å; L419-L422 PolarHBondContact O-N 2.85Å; L419-L422 VanDerWaalsContact O-N 3.15Å; A420-L422 PolarHBondContact O-N 2.88Å; L422-V424 VanDerWaalsContact C-N 3.29Å; L422-V424 PolarHBondContact O-N 2.71Å; L422-L425 HydrophobicContact CD2-CD1 4.4Å; L422-L425 PolarHBondContact O-N 3.36Å; L422-A426 VanDerWaalsContact O-CB 3.29Å; L422-A426 WeakPolarHBondContact O-CB 3.45Å; L422-A426 PolarHBondContact O-N 2.88Å; L422-L481 HydrophobicContact CB-CD2 4Å; L422-V484 HydrophobicContact CD2-CG1 4.12Å; L422-M489 HydrophobicContact CD1-CG 3.67Å; L422-M489 HydrophobicContact CD2-CG 4.47Å; L422-T492 HydrophobicContact CD2-CG2 4.12Å; L422-T492 HydrophobicContact CG-CG2 3.78Å; L422-L493 HydrophobicContact CD1-CD1 4.22Å; L422-L493 HydrophobicContact CD1-CD2 3.69Å; L422-L493 HydrophobicContact CD1-CG 3.63Å
423F85.4Confident73Confident0 Ų070 Ų700%036%0.362CS..Hα-helixtrans-65.1-34.5175.2-83.5-73.7000112.1L419 A420 D421 G427 F442 V444 Y463 V465 A477 V480 L481L419-F423 VanDerWaalsContact O-CD2 3.25Å; L419-F423 WeakPolarHBondContact O-CD2 3.47Å; L419-F423 PolarHBondContact O-N 3.17Å; A420-F423 PolarHBondContact O-N 2.99Å; D421-F423 PolarHBondContact O-N 3.36Å; F423-G427 PolarHBondContact O-N 3.03Å; F423-F442 HydrophobicContact CB-CB 3.85Å; F423-F442 HydrophobicContact CB-CD1 3.96Å; F423-F442 HydrophobicContact CB-CD2 3.76Å; F423-F442 HydrophobicContact CB-CE1 4.44Å; F423-F442 HydrophobicContact CB-CE2 4.26Å; F423-F442 HydrophobicContact CB-CG 3.59Å; F423-F442 HydrophobicContact CD1-CD1 4.27Å; F423-F442 HydrophobicContact CD1-CE1 4.32Å; F423-F442 HydrophobicContact CG-CD1 4.26Å; F423-F442 HydrophobicContact CG-CG 4.34Å; F423-F442 WeakPolarHBondContact O-CE2 3.32Å; F423-V444 HydrophobicContact CD2-CG2 3.73Å; F423-V444 HydrophobicContact CE2-CG2 4.06Å; F423-Y463 AromaticContact CE2-CE2 3.88Å; F423-Y463 HydrophobicContact CE2-CE2 3.88Å; F423-Y463 HydrophobicContact CZ-CE2 4.14Å; F423-V465 HydrophobicContact CD1-CG1 4.43Å; F423-V465 HydrophobicContact CD2-CG1 4.3Å; F423-V465 HydrophobicContact CE1-CG1 4.19Å; F423-V465 HydrophobicContact CE1-CG2 4.48Å; F423-V465 HydrophobicContact CE2-CG1 4.07Å; F423-V465 HydrophobicContact CE2-CG2 3.62Å; F423-V465 HydrophobicContact CG-CG1 4.5Å; F423-V465 HydrophobicContact CZ-CB 4.4Å; F423-V465 HydrophobicContact CZ-CG1 4.02Å; F423-V465 HydrophobicContact CZ-CG2 3.6Å; F423-A477 HydrophobicContact CE1-CB 4.12Å; F423-A477 HydrophobicContact CZ-CB 4.17Å; F423-V480 HydrophobicContact CD1-CG1 3.85Å; F423-V480 HydrophobicContact CE1-CB 4.39Å; F423-V480 HydrophobicContact CE1-CG1 4.18Å; F423-L481 HydrophobicContact CD1-CD2 4.26Å; F423-L481 HydrophobicContact CD1-CG 4.27Å; F423-L481 HydrophobicContact CD2-CD2 4.34Å; F423-L481 HydrophobicContact CE1-CD1 4.07Å; F423-L481 HydrophobicContact CE1-CD2 4.12Å; F423-L481 HydrophobicContact CE1-CG 3.65Å; F423-L481 HydrophobicContact CE2-CD1 3.76Å; F423-L481 HydrophobicContact CE2-CD2 4.2Å; F423-L481 HydrophobicContact CE2-CG 4.08Å; F423-L481 HydrophobicContact CG-CD2 4.35Å; F423-L481 HydrophobicContact CZ-CD1 3.39Å; F423-L481 HydrophobicContact CZ-CD2 4.07Å; F423-L481 HydrophobicContact CZ-CG 3.53Å
424V83Confident71Confident33 Ų3377.9 Ų77.920%0.238%0.382CS..Hα-helixtrans-68.7-36173.6171.60000112.1A420 D421 L422 Q428 F442A420-V424 WeakPolarHBondContact O-CG2 3.41Å; A420-V424 PolarHBondContact O-N 2.92Å; D421-V424 PolarHBondContact O-N 2.95Å; L422-V424 VanDerWaalsContact C-N 3.29Å; L422-V424 PolarHBondContact O-N 2.71Å; V424-Q428 WeakPolarHBondContact O-CG 3.45Å; V424-Q428 PolarHBondContact O-NE2 2.81Å; V424-F442 HydrophobicContact CG2-CD2 4.21Å
425L83.4Confident68.6Low72 Ų7287.1 Ų87.138%0.37741%0.413SS..Hα-helixtrans-69-48.3173.2-69.7168.7000111.5D421 L422 G427 Q428 Q429 T492D421-L425 WeakPolarHBondContact O-CG 3.33Å; D421-L425 PolarHBondContact O-N 2.9Å; L422-L425 HydrophobicContact CD2-CD1 4.4Å; L422-L425 PolarHBondContact O-N 3.36Å; L425-G427 VanDerWaalsContact C-N 3.35Å; L425-G427 PolarHBondContact O-N 2.82Å; L425-Q428 PolarHBondContact O-N 3.46Å; L425-Q428 VanDerWaalsContact O-N 3.14Å; L425-Q429 PolarHBondContact O-N 3.39Å; L425-T492 HydrophobicContact CD1-CG2 4.48Å
426A80.8Confident66.2Low1 Ų190.8 Ų90.81%0.00844%0.443CS..Hα-helixtrans-58.4-44.5177.800000112.4L422 Q428 Q429 G430 V480 V484L422-A426 VanDerWaalsContact O-CB 3.29Å; L422-A426 WeakPolarHBondContact O-CB 3.45Å; L422-A426 PolarHBondContact O-N 2.88Å; A426-Q428 PolarHBondContact O-N 2.96Å; A426-Q429 PolarHBondContact O-N 3.26Å; A426-Q429 VanDerWaalsContact O-N 3.07Å; A426-G430 PolarHBondContact O-N 2.83Å; A426-G430 VanDerWaalsContact O-N 3.15Å; A426-V480 HydrophobicContact CB-CG1 3.45Å; A426-V480 VanDerWaalsContact CB-CG1 3.45Å; A426-V484 HydrophobicContact CB-CG2 3.43Å; A426-V484 VanDerWaalsContact CB-CG2 3.43Å
427G69.3Low63.4Low37 Ų3795.4 Ų95.438%0.38147%0.474SS..Hα-helixtrans-59.9-25.417800000114.1F423 L425F423-G427 PolarHBondContact O-N 3.03Å; L425-G427 VanDerWaalsContact C-N 3.35Å; L425-G427 PolarHBondContact O-N 2.82Å
428Q61.5Low61.1Low135 Ų13595.1 Ų95.163%0.63148%0.482SS*.Hα-helixtrans-82.1-30175.7-70172.272.100112.9V424 L425 A426V424-Q428 WeakPolarHBondContact O-CG 3.45Å; V424-Q428 PolarHBondContact O-NE2 2.81Å; L425-Q428 PolarHBondContact O-N 3.46Å; L425-Q428 VanDerWaalsContact O-N 3.14Å; A426-Q428 PolarHBondContact O-N 2.96Å
429Q55.1Low58.6Low115 Ų11598.1 Ų98.154%0.53751%0.509SS..Hα-helixtrans-76.6-30.5177.5-69.1177.1-36.100112.4L425 A426 T431L425-Q429 PolarHBondContact O-N 3.39Å; A426-Q429 PolarHBondContact O-N 3.26Å; A426-Q429 VanDerWaalsContact O-N 3.07Å; Q429-T431 VanDerWaalsContact C-N 3.34Å; Q429-T431 PolarHBondContact O-N 2.83Å
430G51.8Low57.2Low55 Ų55100.3 Ų100.357%0.56753%0.532SS*.SBendtrans-67.9-16.7-172.800000117.3A426A426-G430 PolarHBondContact O-N 2.83Å; A426-G430 VanDerWaalsContact O-N 3.15Å
431T44.7Very low56.3Low104 Ų104100.6 Ų100.664%0.63853%0.532SS*.SBendtrans-142.6124.4-179.8590000113.4Q429 F433Q429-T431 VanDerWaalsContact C-N 3.34Å; Q429-T431 PolarHBondContact O-N 2.83Å; T431-F433 PolarHBondContact O-N 2.78Å
432R49.3Very low56Low240 Ų24098.1 Ų98.191%0.90652%0.518SS*.SBendtrans-64.9116.7173.2-79.6-171.7176.7-172.90111.6
433F41.4Very low55.5Low198 Ų198101.2 Ų101.287%0.86854%0.537SS*.  trans58.595.2163.6-60.7-69.2000118.5T431T431-F433 PolarHBondContact O-N 2.78Å
434R30.4Very low55.4Low224 Ų224102 Ų10285%0.84554%0.541SS*.  trans-132.9119.8144.1-173.8175.1179.5177.7-1.7109.8A436R434-A436 PolarHBondContact O-N 3.19Å
435R32.6Very low55.4Low257 Ų257101.9 Ų101.997%0.9754%0.539SS*.  trans-77.599.2172-75.6-171.1178.5-167.3-0.1110
436A32.2Very low55.5Low77 Ų7799 Ų9964%0.63652%0.524SS*.  trans-162128.8157.700000108.5R434R434-A436 PolarHBondContact O-N 3.19Å
437T27.8Very low55.6Low141 Ų141100.5 Ų100.587%0.86553%0.533SS*.  trans-91.5120.7178.245.70000111.1
438T30.5Very low56.2Low124 Ų124100.3 Ų100.376%0.76153%0.526SS*.  trans-138.2117.5159.649.90000108
439V32.9Very low57.3Low144 Ų14494.8 Ų94.887%0.87350%0.5SS*.  trans-76.2139.5177.5177.40000109.4
440G56.4Low58.8Low48 Ų4894.9 Ų94.950%0.49550%0.496SS..  trans68.655.3160.200000117F442G440-F442 VanDerWaalsContact C-N 3.27Å
441S64.9Low60.3Low28 Ų2896.4 Ų96.420%0.19648%0.484CS..  trans-78.9-5.717058.40000114.5H467 N468S441-H467 WeakPolarHBondContact CB-NE2 3.44Å; S441-H467 CarbonylContact O-C 3.5Å; S441-H467 WeakPolarHBondContact O-CA 3.41Å; S441-H467 PolarHBondContact O-CD2 2.81Å; S441-H467 VanDerWaalsContact O-CD2 3.32Å; S441-H467 PolarHBondContact OG-CD2 2.95Å; S441-H467 VanDerWaalsContact OG-CD2 3.24Å; S441-H467 PolarHBondContact OG-NE2 2.6Å; S441-N468 WeakPolarHBondContact CB-OD1 3.38Å; S441-N468 PolarHBondContact O-N 2.95Å
442F76Confident62.2Low26 Ų2694 Ų9411%0.11447%0.469CS..EExtended strand (participates in β ladder)trans-107.4129.1-177.7-63.9-85.7000111.5F423 V424 G440 V465 Q466 H467 L472F423-F442 HydrophobicContact CB-CB 3.85Å; F423-F442 HydrophobicContact CB-CD1 3.96Å; F423-F442 HydrophobicContact CB-CD2 3.76Å; F423-F442 HydrophobicContact CB-CE1 4.44Å; F423-F442 HydrophobicContact CB-CE2 4.26Å; F423-F442 HydrophobicContact CB-CG 3.59Å; F423-F442 HydrophobicContact CD1-CD1 4.27Å; F423-F442 HydrophobicContact CD1-CE1 4.32Å; F423-F442 HydrophobicContact CG-CD1 4.26Å; F423-F442 HydrophobicContact CG-CG 4.34Å; F423-F442 WeakPolarHBondContact O-CE2 3.32Å; V424-F442 HydrophobicContact CG2-CD2 4.21Å; G440-F442 VanDerWaalsContact C-N 3.27Å; F442-V465 HydrophobicContact CD1-CG1 4.28Å; F442-Q466 WeakPolarHBondContact CA-O 3.4Å; F442-H467 HydrophobicContact CD1-CB 3.92Å; F442-H467 AromaticContact CD1-CD2 3.62Å; F442-H467 HydrophobicContact CE1-CB 3.91Å; F442-H467 AromaticContact CE1-CD2 3.38Å; F442-H467 WeakPolarHBondContact CE1-CD2 3.44Å; F442-H467 AromaticContact CE1-CG 3.76Å; F442-H467 AromaticContact CE2-CD2 3.86Å; F442-H467 AromaticContact CG-CD2 3.96Å; F442-H467 AromaticContact CZ-CD2 3.51Å; F442-H467 AromaticContact CZ-NE2 3.89Å; F442-L472 HydrophobicContact CE1-CD2 4.16Å
443T76.7Confident63.5Low66 Ų6688.7 Ų88.741%0.40547%0.469SS..EExtended strand (participates in β ladder)trans-110129.1167.944.90000108.7Q466T443-Q466 PolarHBondContact N-O 2.76Å; T443-Q466 PolarHBondContact O-N 2.93Å; T443-Q466 WeakPolarHBondContact OG1-CB 3.37Å; T443-Q466 PolarHBondContact OG1-O 2.86Å; T443-Q466 PolarHBondContact OG1-OE1 2.97Å
444V82.9Confident65.2Low16 Ų1681.5 Ų81.510%0.09745%0.451CS..EExtended strand (participates in β ladder)trans-122.1137.2-179.2-1760000108.5L419 A420 F423 Y463 Y464 V465L419-V444 HydrophobicContact CB-CB 4.34Å; L419-V444 HydrophobicContact CB-CG1 3.93Å; L419-V444 HydrophobicContact CB-CG2 4.26Å; L419-V444 HydrophobicContact CD1-CG1 3.94Å; A420-V444 HydrophobicContact CB-CG2 4.27Å; F423-V444 HydrophobicContact CD2-CG2 3.73Å; F423-V444 HydrophobicContact CE2-CG2 4.06Å; V444-Y463 HydrophobicContact CG1-CD2 3.66Å; V444-Y463 HydrophobicContact CG1-CE2 4.46Å; V444-Y463 HydrophobicContact CG1-CG 4.03Å; V444-Y464 WeakPolarHBondContact CA-O 3.33Å; V444-V465 HydrophobicContact CG2-CG1 4.42Å; V444-V465 HydrophobicContact CG2-CG2 4.47Å
445Q83.9Confident67.1Low32 Ų3278.4 Ų78.415%0.1545%0.45CS..EExtended strand (participates in β ladder)trans-132135.1172.8179.9160.612.900111.5N380 L381 E416 V447 Y463 Y464N380-Q445 PolarHBondContact OD1-NE2 2.85Å; L381-Q445 HydrophobicContact CD1-CB 3.89Å; L381-Q445 HydrophobicContact CG-CB 4.5Å; E416-Q445 WeakPolarHBondContact OE1-CA 3.28Å; Q445-V447 PolarHBondContact O-N 2.91Å; Q445-Y463 CarbonylContact O-C 3.48Å; Q445-Y463 VanDerWaalsContact O-CA 3.24Å; Q445-Y463 WeakPolarHBondContact O-CA 3.19Å; Q445-Y463 WeakPolarHBondContact O-CB 3.48Å; Q445-Y464 PolarHBondContact N-O 3.46Å; Q445-Y464 PolarHBondContact O-N 3.06Å
446M83.6Confident69.3Low11 Ų1170.5 Ų70.55%0.05442%0.423CS..EExtended strand (participates in β ladder)trans-70.1122.5175.5-160.659.159.600110.3A412 M415 E416 L419 M461A412-M446 HydrophobicContact CB-CB 4.06Å; A412-M446 HydrophobicContact CB-CG 4.18Å; M415-M446 HydrophobicContact CB-CE 3.8Å; E416-M446 HydrophobicContact CG-CB 4.11Å; E416-M446 WeakPolarHBondContact OE1-CB 3.26Å; E416-M446 PolarHBondContact OE1-N 3.42Å; L419-M446 HydrophobicContact CD1-CE 4.11Å; M446-M461 HydrophobicContact CE-CB 4.34Å; M446-M461 HydrophobicContact CE-SD 3.79Å; M446-M461 HydrophobicContact SD-CB 3.83Å; M446-M461 HydrophobicContact SD-SD 4.49Å
447V83.5Confident71.6Confident32 Ų3271.2 Ų71.219%0.19442%0.416CS..EExtended strand (participates in β ladder)trans-88.8-45.3175.4179.50000109.9T383 W391 Q445 T462T383-V447 HydrophobicContact CG2-CG2 3.94Å; W391-V447 HydrophobicContact CD2-CG1 4.08Å; W391-V447 HydrophobicContact CD2-CG2 4.18Å; W391-V447 HydrophobicContact CE3-CG1 3.97Å; W391-V447 HydrophobicContact CG-CG2 4.32Å; W391-V447 HydrophobicContact CH2-CG1 3.66Å; W391-V447 HydrophobicContact CZ2-CG1 3.77Å; W391-V447 HydrophobicContact CZ3-CG1 3.76Å; Q445-V447 PolarHBondContact O-N 2.91Å; V447-T462 WeakPolarHBondContact CA-O 3.46Å; V447-T462 HydrophobicContact CB-CG2 4.42Å; V447-T462 WeakPolarHBondContact CB-O 3.49Å; V447-T462 PolarHBondContact N-O 3.45Å
448S82.3Confident74.4Confident34 Ų3464.7 Ų64.724%0.23838%0.376CS..EExtended strand (participates in β ladder)trans-164.7140.6175.363.90000110.4T462S448-T462 PolarHBondContact N-O 3.47Å; S448-T462 PolarHBondContact O-N 2.87Å
449I85.4Confident77.1Confident18 Ų1858.8 Ų58.89%0.09234%0.34CS..EExtended strand (participates in β ladder)trans-110.3137.2156.6-174.6168.3000110I396 L404 Y408 F411 A459 E460 M461I396-I449 HydrophobicContact CD1-CD1 4.28Å; L404-I449 HydrophobicContact CD2-CB 4.33Å; L404-I449 HydrophobicContact CD2-CD1 3.63Å; L404-I449 HydrophobicContact CD2-CG1 3.68Å; L404-I449 HydrophobicContact CD2-CG2 3.77Å; Y408-I449 HydrophobicContact CD2-CG2 3.98Å; Y408-I449 HydrophobicContact CE2-CG2 3.5Å; F411-I449 HydrophobicContact CD1-CD1 4.31Å; F411-I449 HydrophobicContact CE1-CD1 3.45Å; F411-I449 VanDerWaalsContact CE1-CD1 3.45Å; F411-I449 HydrophobicContact CZ-CD1 4.08Å; I449-A459 HydrophobicContact CD1-CB 3.83Å; I449-A459 HydrophobicContact CG1-CB 4.02Å; I449-E460 WeakPolarHBondContact CA-O 3.45Å; I449-M461 HydrophobicContact CB-CB 4.11Å; I449-M461 HydrophobicContact CD1-CB 4Å; I449-M461 HydrophobicContact CG1-CB 3.98Å
450R84.6Confident79.8Confident118 Ų11853.4 Ų53.445%0.44531%0.305SS..EExtended strand (participates in β ladder)trans-137.2145.3-179.969.2-174.4103.9122.411.6111.2A459 E460 T462R450-A459 CarbonylContact O-C 3.53Å; R450-A459 WeakPolarHBondContact O-CA 3.4Å; R450-E460 WeakPolarHBondContact CD-OE2 3.33Å; R450-E460 HydrophobicContact CG-CB 3.96Å; R450-E460 HydrophobicContact CG-CG 4.49Å; R450-E460 IonicContact CZ-OE1 3.11Å; R450-E460 IonicContact CZ-OE2 2.71Å; R450-E460 PolarHBondContact N-O 2.86Å; R450-E460 IonicContact NE-OE1 3.47Å; R450-E460 IonicContact NE-OE2 3.41Å; R450-E460 PolarHBondContact NE-OE2 3.2Å; R450-E460 IonicContact NH1-OE1 2.67Å; R450-E460 PolarHBondContact NH1-OE1 3.24Å; R450-E460 IonicContact NH1-OE2 2.92Å; R450-E460 PolarHBondContact NH1-OE2 3.39Å; R450-E460 IonicContact NH2-OE1 3.78Å; R450-E460 PolarHBondContact NH2-OE1 2.95Å; R450-E460 IonicContact NH2-OE2 3.44Å; R450-E460 PolarHBondContact O-N 3Å; R450-T462 PolarHBondContact NH2-OG1 2.95Å; R450-T462 VanDerWaalsContact NH2-OG1 3.07Å
451R84.4Confident81.3Confident86 Ų8651.1 Ų51.133%0.32528%0.282SS..EExtended strand (participates in β ladder)trans-73.8136.3175178.2162.5-60.8-57.413.2110.8V399 N401 L404 N457 P458V399-R451 PolarHBondContact O-NH2 3.38Å; N401-R451 VanDerWaalsContact OD1-CZ 3.25Å; N401-R451 PolarHBondContact OD1-NE 2.8Å; N401-R451 PolarHBondContact OD1-NH2 3.18Å; L404-R451 HydrophobicContact CD1-CB 4.26Å; R451-N457 VanDerWaalsContact NH1-C 3.27Å; R451-N457 PolarHBondContact NH1-O 3.18Å; R451-P458 PolarHBondContact NH1-O 2.93Å
452V83.5Confident82.4Confident53 Ų5349.8 Ų49.832%0.32127%0.272SS..  trans-105.8147.5172.3178.60000109.2G454 P458 E460V452-G454 PolarHBondContact O-N 3.2Å; V452-P458 HydrophobicContact CB-CG 4.24Å; V452-P458 PolarHBondContact N-O 3.36Å; V452-E460 HydrophobicContact CG2-CB 3.54Å
453S78.2Confident83Confident129 Ų12948.6 Ų48.690%0.90227%0.267SS*.SBendtrans-75.8111.8173.4-55.60000110.6
454G76.3Confident83.4Confident48 Ų4846.1 Ų46.150%0.49525%0.25SS..SBendtrans-171.7169.8175.900000112.7V452 P458V452-G454 PolarHBondContact O-N 3.2Å; G454-P458 WeakPolarHBondContact O-CD 3.22Å
455L71.5Confident83.5Confident158 Ų15845.4 Ų45.483%0.82725%0.246SC*.THydrogen-bonded Turntrans-64.5148170-169.366.5000109.5
456K78.3Confident83.5Confident92 Ų9245.6 Ų45.640%0.425%0.247SC..THydrogen-bonded Turntrans61.241.2-175.9-70165.8131.9-880114.3Q397 D398 P458Q397-K456 HydrophobicContact CB-CB 4.18Å; Q397-K456 HydrophobicContact CG-CB 4.38Å; D398-K456 PolarHBondContact N-O 2.78Å; D398-K456 VanDerWaalsContact OD1-CB 3.29Å; D398-K456 WeakPolarHBondContact OD1-CB 3.26Å; D398-K456 IonicContact OD1-NZ 2.65Å; D398-K456 IonicContact OD2-NZ 2.81Å; D398-K456 PolarHBondContact OD2-NZ 2.93Å; K456-P458 VanDerWaalsContact O-N 3.12Å
457N79.8Confident83.4Confident92 Ų9248.3 Ų48.349%0.49226%0.259SS..  trans4055.4168.6-68.1-23.1000115R451R451-N457 VanDerWaalsContact NH1-C 3.27Å; R451-N457 PolarHBondContact NH1-O 3.18Å
458P86.3Confident82.9Confident3 Ų352.2 Ų52.22%0.01928%0.279CS..  trans-68.8147.5-172.227-32.1000112.1V395 I396 R451 V452 G454 K456V395-P458 HydrophobicContact CG1-CB 3.87Å; I396-P458 CarbonylContact O-C 3.48Å; I396-P458 VanDerWaalsContact O-CA 3.26Å; I396-P458 WeakPolarHBondContact O-CA 3.25Å; R451-P458 PolarHBondContact NH1-O 2.93Å; V452-P458 HydrophobicContact CB-CG 4.24Å; V452-P458 PolarHBondContact N-O 3.36Å; G454-P458 WeakPolarHBondContact O-CD 3.22Å; K456-P458 VanDerWaalsContact O-N 3.12Å
459A87.8Confident82.3Confident0 Ų053 Ų530%029%0.292CS..EExtended strand (participates in β ladder)trans-126.812917300000109.8V395 I396 V399 I449 R450V395-A459 WeakPolarHBondContact CA-O 3.39Å; I396-A459 HydrophobicContact CG1-CB 4.27Å; I396-A459 WeakPolarHBondContact CG1-O 3.46Å; I396-A459 PolarHBondContact N-O 3.47Å; I396-A459 PolarHBondContact O-N 2.81Å; V399-A459 HydrophobicContact CB-CB 4.18Å; V399-A459 HydrophobicContact CG1-CB 4.39Å; V399-A459 HydrophobicContact CG2-CB 4.13Å; I449-A459 HydrophobicContact CD1-CB 3.83Å; I449-A459 HydrophobicContact CG1-CB 4.02Å; R450-A459 CarbonylContact O-C 3.53Å; R450-A459 WeakPolarHBondContact O-CA 3.4Å
460E89.1Confident82Confident32 Ų3257.8 Ų57.815%0.1532%0.317CS..EExtended strand (participates in β ladder)trans-87.8110.7172.6179.8-164.9166.500107.9V393 V395 I449 R450 V452V393-E460 HydrophobicContact CG1-CG 3.33Å; V395-E460 HydrophobicContact CG2-CB 4.42Å; I449-E460 WeakPolarHBondContact CA-O 3.45Å; R450-E460 WeakPolarHBondContact CD-OE2 3.33Å; R450-E460 HydrophobicContact CG-CB 3.96Å; R450-E460 HydrophobicContact CG-CG 4.49Å; R450-E460 IonicContact CZ-OE1 3.11Å; R450-E460 IonicContact CZ-OE2 2.71Å; R450-E460 PolarHBondContact N-O 2.86Å; R450-E460 IonicContact NE-OE1 3.47Å; R450-E460 IonicContact NE-OE2 3.41Å; R450-E460 PolarHBondContact NE-OE2 3.2Å; R450-E460 IonicContact NH1-OE1 2.67Å; R450-E460 PolarHBondContact NH1-OE1 3.24Å; R450-E460 IonicContact NH1-OE2 2.92Å; R450-E460 PolarHBondContact NH1-OE2 3.39Å; R450-E460 IonicContact NH2-OE1 3.78Å; R450-E460 PolarHBondContact NH2-OE1 2.95Å; R450-E460 IonicContact NH2-OE2 3.44Å; R450-E460 PolarHBondContact O-N 3Å; V452-E460 HydrophobicContact CG2-CB 3.54Å
461M88.5Confident81.8Confident0 Ų054.8 Ų54.80%031%0.313CS..EExtended strand (participates in β ladder)trans-97.3132.6168.871.3174.7-179.100110.4V393 T394 I396 M415 L419 M446 I449 Y463 L493V393-M461 WeakPolarHBondContact CA-O 3.27Å; T394-M461 PolarHBondContact N-O 2.81Å; T394-M461 PolarHBondContact O-N 3.23Å; T394-M461 WeakPolarHBondContact OG1-CE 3.45Å; T394-M461 WeakPolarHBondContact OG1-CG 3.4Å; I396-M461 HydrophobicContact CD1-SD 4.5Å; M415-M461 HydrophobicContact CB-SD 4.3Å; M415-M461 HydrophobicContact CE-CE 3.52Å; M415-M461 HydrophobicContact CE-SD 3.5Å; M415-M461 WeakPolarHBondContact CE-SD 3.24Å; L419-M461 HydrophobicContact CD1-CE 3.74Å; L419-M461 HydrophobicContact CD1-SD 4.14Å; L419-M461 HydrophobicContact CD2-CE 3.77Å; L419-M461 HydrophobicContact CG-CE 3.93Å; M446-M461 HydrophobicContact CE-CB 4.34Å; M446-M461 HydrophobicContact CE-SD 3.79Å; M446-M461 HydrophobicContact SD-CB 3.83Å; M446-M461 HydrophobicContact SD-SD 4.49Å; I449-M461 HydrophobicContact CB-CB 4.11Å; I449-M461 HydrophobicContact CD1-CB 4Å; I449-M461 HydrophobicContact CG1-CB 3.98Å; M461-Y463 HydrophobicContact CE-CE1 4.17Å; M461-Y463 HydrophobicContact CG-CD1 4.24Å; M461-Y463 HydrophobicContact CG-CE1 4.38Å; M461-L493 HydrophobicContact CE-CD1 3.93Å; M461-L493 HydrophobicContact CE-CD2 4.35Å
462T87.7Confident81.8Confident0 Ų052.3 Ų52.30%031%0.306CS..EExtended strand (participates in β ladder)trans-115.6124.3176.8-490000108.1W391 V392 V447 S448 R450 V504W391-T462 HydrophobicContact CB-CG2 4.05Å; W391-T462 HydrophobicContact CD2-CG2 4.36Å; W391-T462 HydrophobicContact CE3-CG2 3.87Å; W391-T462 HydrophobicContact CG-CG2 4.46Å; V392-T462 VanDerWaalsContact O-CA 3.31Å; V392-T462 WeakPolarHBondContact O-CA 3.27Å; V447-T462 WeakPolarHBondContact CA-O 3.46Å; V447-T462 HydrophobicContact CB-CG2 4.42Å; V447-T462 WeakPolarHBondContact CB-O 3.49Å; V447-T462 PolarHBondContact N-O 3.45Å; S448-T462 PolarHBondContact N-O 3.47Å; S448-T462 PolarHBondContact O-N 2.87Å; R450-T462 PolarHBondContact NH2-OG1 2.95Å; R450-T462 VanDerWaalsContact NH2-OG1 3.07Å; T462-V504 HydrophobicContact CG2-CG2 3.62Å
463Y87.9Confident81.8Confident0 Ų051.7 Ų51.70%030%0.304CS..EExtended strand (participates in β ladder)trans-138.6157.6-178.755.5-92.9000111.4W391 V392 T394 L419 F423 V444 Q445 M461 V465 L481W391-Y463 WeakPolarHBondContact CA-O 3.24Å; V392-Y463 HydrophobicContact CB-CD2 4.31Å; V392-Y463 HydrophobicContact CB-CE2 3.68Å; V392-Y463 HydrophobicContact CG1-CE2 4.12Å; V392-Y463 VanDerWaalsContact CG1-OH 3.3Å; V392-Y463 WeakPolarHBondContact CG1-OH 3.34Å; V392-Y463 HydrophobicContact CG2-CE2 4.28Å; V392-Y463 PolarHBondContact N-O 3.3Å; V392-Y463 PolarHBondContact O-N 2.84Å; T394-Y463 HydrophobicContact CG2-CE1 3.66Å; T394-Y463 WeakPolarHBondContact CG2-OH 3.48Å; L419-Y463 HydrophobicContact CD1-CD1 3.47Å; L419-Y463 VanDerWaalsContact CD1-CD1 3.47Å; L419-Y463 HydrophobicContact CD1-CD2 4.15Å; L419-Y463 HydrophobicContact CD1-CE1 3.7Å; L419-Y463 HydrophobicContact CD1-CE2 4.35Å; L419-Y463 HydrophobicContact CD1-CG 3.73Å; L419-Y463 HydrophobicContact CD2-CD1 4.49Å; L419-Y463 HydrophobicContact CD2-CE1 3.86Å; L419-Y463 HydrophobicContact CD2-CE2 4.32Å; L419-Y463 HydrophobicContact CG-CE1 4.46Å; F423-Y463 AromaticContact CE2-CE2 3.88Å; F423-Y463 HydrophobicContact CE2-CE2 3.88Å; F423-Y463 HydrophobicContact CZ-CE2 4.14Å; V444-Y463 HydrophobicContact CG1-CD2 3.66Å; V444-Y463 HydrophobicContact CG1-CE2 4.46Å; V444-Y463 HydrophobicContact CG1-CG 4.03Å; Q445-Y463 CarbonylContact O-C 3.48Å; Q445-Y463 VanDerWaalsContact O-CA 3.24Å; Q445-Y463 WeakPolarHBondContact O-CA 3.19Å; Q445-Y463 WeakPolarHBondContact O-CB 3.48Å; M461-Y463 HydrophobicContact CE-CE1 4.17Å; M461-Y463 HydrophobicContact CG-CD1 4.24Å; M461-Y463 HydrophobicContact CG-CE1 4.38Å; Y463-V465 HydrophobicContact CD2-CG2 3.6Å; Y463-V465 HydrophobicContact CE2-CG2 3.62Å; Y463-L481 HydrophobicContact CE2-CD1 4.49Å; Y463-L481 WeakPolarHBondContact OH-CD1 3.26Å
464Y85.5Confident82.1Confident15 Ų1545.5 Ų45.56%0.05926%0.261CS..EExtended strand (participates in β ladder)trans-106.5141177.1168.1-83.5000109.1L381 T387 F390 W391 V444 Q445 Q466 P471L381-Y464 HydrophobicContact CB-CD1 3.76Å; L381-Y464 HydrophobicContact CB-CE1 3.67Å; L381-Y464 HydrophobicContact CD1-CD1 3.64Å; L381-Y464 HydrophobicContact CD1-CE1 3.72Å; L381-Y464 HydrophobicContact CD2-CE1 4.16Å; L381-Y464 HydrophobicContact CG-CD1 4.22Å; L381-Y464 HydrophobicContact CG-CE1 4.03Å; T387-Y464 HydrophobicContact CG2-CE2 4.35Å; F390-Y464 HydrophobicContact CB-CD2 3.71Å; F390-Y464 HydrophobicContact CB-CE2 3.64Å; F390-Y464 HydrophobicContact CG-CE2 4.26Å; W391-Y464 AromaticContact CD1-CD2 3.98Å; V444-Y464 WeakPolarHBondContact CA-O 3.33Å; Q445-Y464 PolarHBondContact N-O 3.46Å; Q445-Y464 PolarHBondContact O-N 3.06Å; Y464-Q466 HydrophobicContact CE1-CB 3.96Å; Y464-P471 HydrophobicContact CE2-CB 4.34Å; Y464-P471 WeakPolarHBondContact OH-CB 3.36Å
465V84.5Confident82.5Confident0 Ų046.3 Ų46.30%026%0.256CS..EExtended strand (participates in β ladder)trans-123.1132-174.4-173.20000110.3F423 F442 V444 Y463 L472 A477F423-V465 HydrophobicContact CD1-CG1 4.43Å; F423-V465 HydrophobicContact CD2-CG1 4.3Å; F423-V465 HydrophobicContact CE1-CG1 4.19Å; F423-V465 HydrophobicContact CE1-CG2 4.48Å; F423-V465 HydrophobicContact CE2-CG1 4.07Å; F423-V465 HydrophobicContact CE2-CG2 3.62Å; F423-V465 HydrophobicContact CG-CG1 4.5Å; F423-V465 HydrophobicContact CZ-CB 4.4Å; F423-V465 HydrophobicContact CZ-CG1 4.02Å; F423-V465 HydrophobicContact CZ-CG2 3.6Å; F442-V465 HydrophobicContact CD1-CG1 4.28Å; V444-V465 HydrophobicContact CG2-CG1 4.42Å; V444-V465 HydrophobicContact CG2-CG2 4.47Å; Y463-V465 HydrophobicContact CD2-CG2 3.6Å; Y463-V465 HydrophobicContact CE2-CG2 3.62Å; V465-L472 HydrophobicContact CB-CB 4.39Å; V465-L472 HydrophobicContact CG1-CB 4.3Å; V465-L472 HydrophobicContact CG1-CD2 4.03Å; V465-L472 PolarHBondContact O-N 3.31Å; V465-A477 HydrophobicContact CB-CB 4.28Å; V465-A477 HydrophobicContact CG2-CB 4.21Å
466Q84.4Confident83.1Confident36 Ų3641.4 Ų41.417%0.16824%0.235CC..EExtended strand (participates in β ladder)trans-127.1137.3176.6172.5-176.98000109.4L381 F442 T443 Y464 G469 I470L381-Q466 HydrophobicContact CD1-CB 4.4Å; L381-Q466 VanDerWaalsContact CD2-OE1 3.3Å; F442-Q466 WeakPolarHBondContact CA-O 3.4Å; T443-Q466 PolarHBondContact N-O 2.76Å; T443-Q466 PolarHBondContact O-N 2.93Å; T443-Q466 WeakPolarHBondContact OG1-CB 3.37Å; T443-Q466 PolarHBondContact OG1-O 2.86Å; T443-Q466 PolarHBondContact OG1-OE1 2.97Å; Y464-Q466 HydrophobicContact CE1-CB 3.96Å; Q466-G469 VanDerWaalsContact CD-C 3.46Å; Q466-G469 VanDerWaalsContact CD-CA 3.44Å; Q466-G469 PolarHBondContact NE2-O 2.77Å; Q466-I470 CarbonylContact C-O 3.53Å; Q466-I470 WeakPolarHBondContact CA-O 3.28Å; Q466-I470 WeakPolarHBondContact CG-O 3.41Å
467H81.1Confident83.5Confident68 Ų6837 Ų3732%0.31522%0.216SC..EExtended strand (participates in β ladder)trans-119.7118.5-179.9179.6-119.2000109.4S441 F442 G469 I470S441-H467 WeakPolarHBondContact CB-NE2 3.44Å; S441-H467 CarbonylContact O-C 3.5Å; S441-H467 WeakPolarHBondContact O-CA 3.41Å; S441-H467 PolarHBondContact O-CD2 2.81Å; S441-H467 VanDerWaalsContact O-CD2 3.32Å; S441-H467 PolarHBondContact OG-CD2 2.95Å; S441-H467 VanDerWaalsContact OG-CD2 3.24Å; S441-H467 PolarHBondContact OG-NE2 2.6Å; F442-H467 HydrophobicContact CD1-CB 3.92Å; F442-H467 AromaticContact CD1-CD2 3.62Å; F442-H467 HydrophobicContact CE1-CB 3.91Å; F442-H467 AromaticContact CE1-CD2 3.38Å; F442-H467 WeakPolarHBondContact CE1-CD2 3.44Å; F442-H467 AromaticContact CE1-CG 3.76Å; F442-H467 AromaticContact CE2-CD2 3.86Å; F442-H467 AromaticContact CG-CD2 3.96Å; F442-H467 AromaticContact CZ-CD2 3.51Å; F442-H467 AromaticContact CZ-NE2 3.89Å; H467-G469 VanDerWaalsContact C-N 3.25Å; H467-G469 PolarHBondContact O-N 2.91Å; H467-I470 PolarHBondContact N-O 3.05Å; H467-I470 WeakPolarHBondContact O-CB 3.25Å; H467-I470 PolarHBondContact O-N 2.8Å
468N74.9Confident83.8Confident114 Ų11432.9 Ų32.961%0.6119%0.194SC*.THydrogen-bonded Turntrans48.941.1-174.1-60.3-60.8000113.9S441 I470S441-N468 WeakPolarHBondContact CB-OD1 3.38Å; S441-N468 PolarHBondContact O-N 2.95Å; N468-I470 VanDerWaalsContact C-N 3.3Å; N468-I470 PolarHBondContact O-N 2.85Å
469G69.3Low83.8Confident50 Ų5040.2 Ų40.252%0.51523%0.226SC..THydrogen-bonded Turntrans82.5-3.8-177.500000115.4Q466 H467Q466-G469 VanDerWaalsContact CD-C 3.46Å; Q466-G469 VanDerWaalsContact CD-CA 3.44Å; Q466-G469 PolarHBondContact NE2-O 2.77Å; H467-G469 VanDerWaalsContact C-N 3.25Å; H467-G469 PolarHBondContact O-N 2.91Å
470I77.8Confident83.7Confident119 Ų11942.2 Ų42.261%0.6124%0.238SC*.EExtended strand (participates in β ladder)trans-104.1129.7-179-53.9177.4000110.4Q466 H467 N468 L472Q466-I470 CarbonylContact C-O 3.53Å; Q466-I470 WeakPolarHBondContact CA-O 3.28Å; Q466-I470 WeakPolarHBondContact CG-O 3.41Å; H467-I470 PolarHBondContact N-O 3.05Å; H467-I470 WeakPolarHBondContact O-CB 3.25Å; H467-I470 PolarHBondContact O-N 2.8Å; N468-I470 VanDerWaalsContact C-N 3.3Å; N468-I470 PolarHBondContact O-N 2.85Å; I470-L472 PolarHBondContact O-N 2.76Å
471P81.3Confident83.5Confident55 Ų5540.7 Ų40.736%0.35723%0.231SC..EExtended strand (participates in β ladder)trans-54.8132174.318.8-30.7000112.3F390 Y464F390-P471 HydrophobicContact CD1-CB 3.6Å; F390-P471 HydrophobicContact CE1-CB 3.82Å; F390-P471 HydrophobicContact CE1-CG 4.26Å; F390-P471 HydrophobicContact CG-CB 4.04Å; F390-P471 HydrophobicContact CZ-CB 4.42Å; Y464-P471 HydrophobicContact CE2-CB 4.34Å; Y464-P471 WeakPolarHBondContact OH-CB 3.36Å
472L83.6Confident83.4Confident34 Ų3444.3 Ų44.318%0.17825%0.25CS..PPolyproline II helixtrans-97120.6173.6-17461.4000108.9F442 V465 I470 G474 A477F442-L472 HydrophobicContact CE1-CD2 4.16Å; V465-L472 HydrophobicContact CB-CB 4.39Å; V465-L472 HydrophobicContact CG1-CB 4.3Å; V465-L472 HydrophobicContact CG1-CD2 4.03Å; V465-L472 PolarHBondContact O-N 3.31Å; I470-L472 PolarHBondContact O-N 2.76Å; L472-G474 PolarHBondContact O-N 3.03Å; L472-A477 HydrophobicContact CD2-CB 3.72Å; L472-A477 HydrophobicContact CG-CB 3.91Å
473S84.1Confident83.2Confident40 Ų4047.7 Ų47.728%0.2827%0.271SS..PPolyproline II helixtrans-54.8138.7178.3175.20000110.3D389 T475 S476 A477D389-S473 PolarHBondContact O-OG 3.35Å; S473-T475 PolarHBondContact O-N 3.41Å; S473-T475 VanDerWaalsContact O-N 3.08Å; S473-T475 PolarHBondContact OG-OG1 2.85Å; S473-T475 VanDerWaalsContact OG-OG1 3.06Å; S473-S476 WeakPolarHBondContact O-CA 3.22Å; S473-S476 WeakPolarHBondContact O-CB 3.3Å; S473-S476 PolarHBondContact O-N 3.44Å; S473-A477 PolarHBondContact O-N 2.97Å
474G84.4Confident83.1Confident0 Ų047.8 Ų47.80%027%0.272CS..Hα-helixtrans-56.7-31.5-177.200000112.2D389 L472 A478D389-G474 PolarHBondContact O-N 3.26Å; L472-G474 PolarHBondContact O-N 3.03Å; G474-A478 WeakPolarHBondContact O-CB 3.48Å; G474-A478 PolarHBondContact O-N 3.19Å
475T84.3Confident83.1Confident64 Ų6450.6 Ų50.639%0.39329%0.287SS..Hα-helixtrans-64.1-40.117460.60000112.7S473 K479 P503S473-T475 PolarHBondContact O-N 3.41Å; S473-T475 VanDerWaalsContact O-N 3.08Å; S473-T475 PolarHBondContact OG-OG1 2.85Å; S473-T475 VanDerWaalsContact OG-OG1 3.06Å; T475-K479 VanDerWaalsContact O-CB 3.27Å; T475-K479 WeakPolarHBondContact O-CB 3.25Å; T475-K479 PolarHBondContact O-N 3Å; T475-P503 HydrophobicContact CG2-CB 4.23Å; T475-P503 HydrophobicContact CG2-CG 4.22Å
476S84.6Confident83.1Confident56 Ų5653.3 Ų53.339%0.39231%0.307SS..Hα-helixtrans-77.6-40.9178.5-62.40000111.8S473 K479 V480S473-S476 WeakPolarHBondContact O-CA 3.22Å; S473-S476 WeakPolarHBondContact O-CB 3.3Å; S473-S476 PolarHBondContact O-N 3.44Å; S476-K479 PolarHBondContact O-N 3.43Å; S476-V480 WeakPolarHBondContact O-CG2 3.4Å; S476-V480 PolarHBondContact O-N 3.28Å
477A86.3Confident83.2Confident0 Ų058.3 Ų58.30%033%0.33CS..Hα-helixtrans-63.3-45.2175.100000111.5V392 F423 V465 L472 S473 V480 L481V392-A477 HydrophobicContact CG2-CB 3.47Å; V392-A477 VanDerWaalsContact CG2-CB 3.47Å; F423-A477 HydrophobicContact CE1-CB 4.12Å; F423-A477 HydrophobicContact CZ-CB 4.17Å; V465-A477 HydrophobicContact CB-CB 4.28Å; V465-A477 HydrophobicContact CG2-CB 4.21Å; L472-A477 HydrophobicContact CD2-CB 3.72Å; L472-A477 HydrophobicContact CG-CB 3.91Å; S473-A477 PolarHBondContact O-N 2.97Å; A477-V480 PolarHBondContact O-N 2.81Å; A477-L481 PolarHBondContact O-N 3.29Å
478A86.8Confident83.3Confident4 Ų457.4 Ų57.43%0.03333%0.33CS..Hα-helixtrans-63.3-41.8173.400000112.1V392 G474 V480 L481 N482 A501V392-A478 HydrophobicContact CG1-CB 4.29Å; G474-A478 WeakPolarHBondContact O-CB 3.48Å; G474-A478 PolarHBondContact O-N 3.19Å; A478-V480 VanDerWaalsContact C-N 3.27Å; A478-V480 PolarHBondContact O-N 3.25Å; A478-L481 PolarHBondContact O-N 2.92Å; A478-N482 VanDerWaalsContact O-CB 3.29Å; A478-N482 WeakPolarHBondContact O-CB 3.41Å; A478-N482 PolarHBondContact O-N 3.49Å; A478-N482 PolarHBondContact O-ND2 3.18Å; A478-A501 HydrophobicContact CB-CB 3.75Å
479K86.6Confident83.9Confident158 Ų15852.1 Ų52.169%0.68730%0.301SS*.Hα-helixtrans-59.2-37174-177.9175.8178.9179.20112.7T475 S476 T483T475-K479 VanDerWaalsContact O-CB 3.27Å; T475-K479 WeakPolarHBondContact O-CB 3.25Å; T475-K479 PolarHBondContact O-N 3Å; S476-K479 PolarHBondContact O-N 3.43Å; K479-T483 WeakPolarHBondContact O-CG2 3.28Å
480V84.9Confident84.8Confident41 Ų4150.5 Ų50.525%0.24828%0.283CS..Hα-helixtrans-68.6-47.7176.7167.20000111.1F423 A426 S476 A477 A478 N482 T483F423-V480 HydrophobicContact CD1-CG1 3.85Å; F423-V480 HydrophobicContact CE1-CB 4.39Å; F423-V480 HydrophobicContact CE1-CG1 4.18Å; A426-V480 HydrophobicContact CB-CG1 3.45Å; A426-V480 VanDerWaalsContact CB-CG1 3.45Å; S476-V480 WeakPolarHBondContact O-CG2 3.4Å; S476-V480 PolarHBondContact O-N 3.28Å; A477-V480 PolarHBondContact O-N 2.81Å; A478-V480 VanDerWaalsContact C-N 3.27Å; A478-V480 PolarHBondContact O-N 3.25Å; V480-N482 VanDerWaalsContact C-N 3.32Å; V480-N482 PolarHBondContact O-N 2.86Å; V480-T483 PolarHBondContact O-N 2.96Å; V480-T483 VanDerWaalsContact O-N 3.12Å; V480-T483 PolarHBondContact O-OG1 3.44Å
481L85Confident85.2Confident1 Ų151.6 Ų51.61%0.00529%0.289CS..Hα-helixtrans-66.9-32.9177.7-73.2177.5000113.1L422 F423 Y463 A477 A478 T483 V484 M489 A501L422-L481 HydrophobicContact CB-CD2 4Å; F423-L481 HydrophobicContact CD1-CD2 4.26Å; F423-L481 HydrophobicContact CD1-CG 4.27Å; F423-L481 HydrophobicContact CD2-CD2 4.34Å; F423-L481 HydrophobicContact CE1-CD1 4.07Å; F423-L481 HydrophobicContact CE1-CD2 4.12Å; F423-L481 HydrophobicContact CE1-CG 3.65Å; F423-L481 HydrophobicContact CE2-CD1 3.76Å; F423-L481 HydrophobicContact CE2-CD2 4.2Å; F423-L481 HydrophobicContact CE2-CG 4.08Å; F423-L481 HydrophobicContact CG-CD2 4.35Å; F423-L481 HydrophobicContact CZ-CD1 3.39Å; F423-L481 HydrophobicContact CZ-CD2 4.07Å; F423-L481 HydrophobicContact CZ-CG 3.53Å; Y463-L481 HydrophobicContact CE2-CD1 4.49Å; Y463-L481 WeakPolarHBondContact OH-CD1 3.26Å; A477-L481 PolarHBondContact O-N 3.29Å; A478-L481 PolarHBondContact O-N 2.92Å; L481-T483 PolarHBondContact O-N 2.83Å; L481-T483 VanDerWaalsContact O-N 3.16Å; L481-V484 WeakPolarHBondContact O-CB 3.32Å; L481-V484 PolarHBondContact O-N 2.71Å; L481-M489 HydrophobicContact CB-CE 3.93Å; L481-M489 VanDerWaalsContact O-CE 3.24Å; L481-M489 WeakPolarHBondContact O-CE 3.39Å; L481-A501 HydrophobicContact CB-CB 3.82Å; L481-A501 HydrophobicContact CD1-CB 4.13Å
482N86.6Confident85.4Confident75 Ų7550.7 Ų50.740%0.40128%0.283SS..THydrogen-bonded Turntrans-73.54.7174.3-63.5-18.5000113.5A478 V480 Q500 A501A478-N482 VanDerWaalsContact O-CB 3.29Å; A478-N482 WeakPolarHBondContact O-CB 3.41Å; A478-N482 PolarHBondContact O-N 3.49Å; A478-N482 PolarHBondContact O-ND2 3.18Å; V480-N482 VanDerWaalsContact C-N 3.32Å; V480-N482 PolarHBondContact O-N 2.86Å; N482-Q500 WeakPolarHBondContact OD1-CB 3.32Å; N482-A501 PolarHBondContact ND2-O 3.24Å; N482-A501 PolarHBondContact OD1-N 2.99Å; N482-A501 PolarHBondContact OD1-O 2.79Å
483T84.4Confident85.5Confident71 Ų7149.1 Ų49.144%0.43627%0.274SS..THydrogen-bonded Turntrans-90.8-11.6160.7700000113.3K479 V480 L481K479-T483 WeakPolarHBondContact O-CG2 3.28Å; V480-T483 PolarHBondContact O-N 2.96Å; V480-T483 VanDerWaalsContact O-N 3.12Å; V480-T483 PolarHBondContact O-OG1 3.44Å; L481-T483 PolarHBondContact O-N 2.83Å; L481-T483 VanDerWaalsContact O-N 3.16Å
484V85.5Confident85.6Confident3 Ų349.4 Ų49.42%0.01828%0.284CS..SBendtrans-85.6136.4176.7-172.80000109L422 A426 L481 T488 M489 Q500L422-V484 HydrophobicContact CD2-CG1 4.12Å; A426-V484 HydrophobicContact CB-CG2 3.43Å; A426-V484 VanDerWaalsContact CB-CG2 3.43Å; L481-V484 WeakPolarHBondContact O-CB 3.32Å; L481-V484 PolarHBondContact O-N 2.71Å; V484-T488 HydrophobicContact CG1-CG2 3.71Å; V484-M489 HydrophobicContact CB-CE 4.27Å; V484-M489 HydrophobicContact CG1-CB 4.39Å; V484-Q500 PolarHBondContact O-NE2 3.04Å
485D85.6Confident85.7Confident73 Ų7352 Ų5239%0.3929%0.294SS..  trans-65.8145.4173.9166.156.7000112.1Q487 T488 M489D485-Q487 VanDerWaalsContact C-N 3.29Å; D485-Q487 PolarHBondContact O-N 3.06Å; D485-Q487 WeakPolarHBondContact OD2-CA 3.34Å; D485-Q487 WeakPolarHBondContact OD2-CB 3.42Å; D485-Q487 WeakPolarHBondContact OD2-CG 3.08Å; D485-Q487 PolarHBondContact OD2-N 2.79Å; D485-T488 WeakPolarHBondContact O-CB 3.14Å; D485-T488 PolarHBondContact O-N 2.83Å; D485-T488 VanDerWaalsContact O-N 3.14Å; D485-T488 PolarHBondContact OD2-N 3.02Å; D485-M489 WeakPolarHBondContact O-CB 3.32Å; D485-M489 PolarHBondContact O-N 3.27Å
486S83.4Confident85.8Confident58 Ų5855.2 Ų55.241%0.40630%0.303SS..Hα-helixtrans-43.8-43.9172.460.70000115A490 Q500S486-A490 WeakPolarHBondContact O-CB 3.44Å; S486-A490 PolarHBondContact O-N 3.03Å; S486-Q500 VanDerWaalsContact N-NE2 3.12Å
487Q85.8Confident85.8Confident140 Ų14053.9 Ų53.965%0.65429%0.292SS*.Hα-helixtrans-74.5-42.2-178.8-49.5-178.13.800110.5D485 M489 A490 L491D485-Q487 VanDerWaalsContact C-N 3.29Å; D485-Q487 PolarHBondContact O-N 3.06Å; D485-Q487 WeakPolarHBondContact OD2-CA 3.34Å; D485-Q487 WeakPolarHBondContact OD2-CB 3.42Å; D485-Q487 WeakPolarHBondContact OD2-CG 3.08Å; D485-Q487 PolarHBondContact OD2-N 2.79Å; Q487-M489 VanDerWaalsContact C-N 3.32Å; Q487-M489 PolarHBondContact O-N 3.2Å; Q487-A490 PolarHBondContact O-N 2.79Å; Q487-L491 WeakPolarHBondContact O-CB 3.41Å; Q487-L491 WeakPolarHBondContact O-CG 3.45Å; Q487-L491 PolarHBondContact O-N 2.91Å
488T84.8Confident85.4Confident50 Ų5059.1 Ų59.131%0.30732%0.317SS..Hα-helixtrans-59.8-44.7174.2-57.50000110.6V484 D485 L491 T492V484-T488 HydrophobicContact CG1-CG2 3.71Å; D485-T488 WeakPolarHBondContact O-CB 3.14Å; D485-T488 PolarHBondContact O-N 2.83Å; D485-T488 VanDerWaalsContact O-N 3.14Å; D485-T488 PolarHBondContact OD2-N 3.02Å; T488-L491 PolarHBondContact O-N 3.41Å; T488-T492 PolarHBondContact O-N 3.39Å; T488-T492 PolarHBondContact O-OG1 3.47Å
489M86.8Confident85.1Confident2 Ų261 Ų611%0.0133%0.327CS..Hα-helixtrans-63-44.2177.9-162.1-177.6-7700112.2L422 L481 V484 D485 Q487 L493 V497 Q500L422-M489 HydrophobicContact CD1-CG 3.67Å; L422-M489 HydrophobicContact CD2-CG 4.47Å; L481-M489 HydrophobicContact CB-CE 3.93Å; L481-M489 VanDerWaalsContact O-CE 3.24Å; L481-M489 WeakPolarHBondContact O-CE 3.39Å; V484-M489 HydrophobicContact CB-CE 4.27Å; V484-M489 HydrophobicContact CG1-CB 4.39Å; D485-M489 WeakPolarHBondContact O-CB 3.32Å; D485-M489 PolarHBondContact O-N 3.27Å; Q487-M489 VanDerWaalsContact C-N 3.32Å; Q487-M489 PolarHBondContact O-N 3.2Å; M489-L493 HydrophobicContact CG-CD1 4.28Å; M489-L493 WeakPolarHBondContact O-CB 3.4Å; M489-L493 WeakPolarHBondContact O-CG 3.5Å; M489-L493 PolarHBondContact O-N 3.07Å; M489-V497 HydrophobicContact CB-CG2 4.36Å; M489-V497 HydrophobicContact CG-CG2 3.96Å; M489-V497 HydrophobicContact SD-CB 4.31Å; M489-V497 HydrophobicContact SD-CG1 3.89Å; M489-V497 HydrophobicContact SD-CG2 4.1Å; M489-Q500 HydrophobicContact CE-CB 3.85Å; M489-Q500 HydrophobicContact CE-CG 4.07Å; M489-Q500 HydrophobicContact SD-CB 3.99Å; M489-Q500 HydrophobicContact SD-CG 4.03Å
490A87.4Confident84.6Confident17 Ų1756.1 Ų56.114%0.1431%0.307CS..Hα-helixtrans-66.4-37.617700000112.9S486 Q487 G494 Y495S486-A490 WeakPolarHBondContact O-CB 3.44Å; S486-A490 PolarHBondContact O-N 3.03Å; Q487-A490 PolarHBondContact O-N 2.79Å; A490-G494 VanDerWaalsContact O-CA 3.32Å; A490-G494 WeakPolarHBondContact O-CA 3.39Å; A490-G494 PolarHBondContact O-N 3.11Å; A490-Y495 VanDerWaalsContact CA-O 3.31Å; A490-Y495 WeakPolarHBondContact CA-O 3.49Å; A490-Y495 PolarHBondContact O-N 2.64Å
491L87.2Confident84.4Confident142 Ų14254.4 Ų54.474%0.74330%0.297SS*.Hα-helixtrans-66.9-43.7177-74.3167.5000112.3Q487 T488Q487-L491 WeakPolarHBondContact O-CB 3.41Å; Q487-L491 WeakPolarHBondContact O-CG 3.45Å; Q487-L491 PolarHBondContact O-N 2.91Å; T488-L491 PolarHBondContact O-N 3.41Å
492T84.9Confident84.3Confident35 Ų3558.3 Ų58.322%0.21532%0.315CS..Hα-helixtrans-73.8-38.3178.9-49.70000112.3R418 D421 L422 L425 T488R418-T492 WeakPolarHBondContact CB-O 3.17Å; R418-T492 VanDerWaalsContact CD-O 3.25Å; R418-T492 WeakPolarHBondContact CD-O 3.24Å; R418-T492 VanDerWaalsContact CG-O 3.29Å; R418-T492 WeakPolarHBondContact CG-O 3.24Å; D421-T492 HydrophobicContact CB-CG2 4.2Å; L422-T492 HydrophobicContact CD2-CG2 4.12Å; L422-T492 HydrophobicContact CG-CG2 3.78Å; L425-T492 HydrophobicContact CD1-CG2 4.48Å; T488-T492 PolarHBondContact O-N 3.39Å; T488-T492 PolarHBondContact O-OG1 3.47Å
493L85.9Confident84Confident1 Ų155.9 Ų55.91%0.00530%0.304CS..Hα-helixtrans-74.2-25.1174.6-67.4-175.2000113.1I396 M415 R418 L419 L422 M461 M489 Y495 V497I396-L493 HydrophobicContact CG2-CD1 4.12Å; M415-L493 HydrophobicContact CE-CB 4.24Å; M415-L493 HydrophobicContact CE-CD1 4.28Å; M415-L493 HydrophobicContact CE-CD2 3.8Å; M415-L493 HydrophobicContact CE-CG 4.31Å; R418-L493 HydrophobicContact CB-CD2 3.9Å; R418-L493 WeakPolarHBondContact CD-O 3.31Å; R418-L493 PolarHBondContact NH1-O 2.85Å; L419-L493 HydrophobicContact CD2-CD2 4.16Å; L419-L493 HydrophobicContact CG-CD2 4.15Å; L422-L493 HydrophobicContact CD1-CD1 4.22Å; L422-L493 HydrophobicContact CD1-CD2 3.69Å; L422-L493 HydrophobicContact CD1-CG 3.63Å; M461-L493 HydrophobicContact CE-CD1 3.93Å; M461-L493 HydrophobicContact CE-CD2 4.35Å; M489-L493 HydrophobicContact CG-CD1 4.28Å; M489-L493 WeakPolarHBondContact O-CB 3.4Å; M489-L493 WeakPolarHBondContact O-CG 3.5Å; M489-L493 PolarHBondContact O-N 3.07Å; L493-Y495 VanDerWaalsContact C-N 3.26Å; L493-Y495 WeakPolarHBondContact O-CD2 3.15Å; L493-V497 HydrophobicContact CD1-CG2 3.9Å
494G86.3Confident83.5Confident46 Ų4655.1 Ų55.147%0.47430%0.299SS..THydrogen-bonded Turntrans72.615-173.300000114.4A490A490-G494 VanDerWaalsContact O-CA 3.32Å; A490-G494 WeakPolarHBondContact O-CA 3.39Å; A490-G494 PolarHBondContact O-N 3.11Å
495Y87Confident82.8Confident55 Ų5557 Ų5722%0.21631%0.31CS..SBendtrans-139144.5179.2-67.6-78.6000109.8I396 V399 F411 M415 A490 L493 V497I396-Y495 HydrophobicContact CD1-CD2 4.39Å; I396-Y495 HydrophobicContact CD1-CG 4.45Å; V399-Y495 HydrophobicContact CG2-CD1 3.96Å; V399-Y495 HydrophobicContact CG2-CE1 4.13Å; V399-Y495 HydrophobicContact CG2-CG 4.45Å; F411-Y495 AromaticContact CE2-CE2 3.82Å; F411-Y495 HydrophobicContact CE2-CE2 3.82Å; F411-Y495 AromaticContact CE2-CZ 3.88Å; F411-Y495 HydrophobicContact CZ-CE2 4.22Å; M415-Y495 HydrophobicContact CE-CD2 4.44Å; M415-Y495 HydrophobicContact SD-CD2 4.07Å; M415-Y495 HydrophobicContact SD-CE2 4.1Å; A490-Y495 VanDerWaalsContact CA-O 3.31Å; A490-Y495 WeakPolarHBondContact CA-O 3.49Å; A490-Y495 PolarHBondContact O-N 2.64Å; L493-Y495 VanDerWaalsContact C-N 3.26Å; L493-Y495 WeakPolarHBondContact O-CD2 3.15Å; Y495-V497 PolarHBondContact O-N 3.4Å
496F85.4Confident81.7Confident131 Ų13159.3 Ų59.358%0.57532%0.317SS*.  trans-66.1128.2175.3-71.2-76.1000110.7I396 Q397I396-F496 CarbonylContact C-O 3.54Å; I396-F496 WeakPolarHBondContact CA-O 3.25Å; Q397-F496 HydrophobicContact CB-CB 4.22Å; Q397-F496 PolarHBondContact N-O 3.4Å
497V84.9Confident80.1Confident29 Ų2961.2 Ų61.218%0.17632%0.323CS..EExtended strand (participates in β ladder)trans-97.8122.5-176.8-167.70000110.3I396 M489 L493 Y495 V499I396-V497 HydrophobicContact CG2-CG2 4.35Å; M489-V497 HydrophobicContact CB-CG2 4.36Å; M489-V497 HydrophobicContact CG-CG2 3.96Å; M489-V497 HydrophobicContact SD-CB 4.31Å; M489-V497 HydrophobicContact SD-CG1 3.89Å; M489-V497 HydrophobicContact SD-CG2 4.1Å; L493-V497 HydrophobicContact CD1-CG2 3.9Å; Y495-V497 PolarHBondContact O-N 3.4Å; V497-V499 WeakPolarHBondContact CG1-O 3.26Å
498Q79.1Confident78.6Confident110 Ų11058.7 Ų58.751%0.51432%0.318SS..EExtended strand (participates in β ladder)trans-90.6-32.7176.6-175172.1-12.300112.5V395 Q397V395-Q498 HydrophobicContact CB-CB 4.32Å; V395-Q498 HydrophobicContact CG1-CB 4.17Å; V395-Q498 PolarHBondContact O-N 3.44Å; Q397-Q498 HydrophobicContact CG-CB 4.15Å
499V80.2Confident76.9Confident42 Ų4262.1 Ų62.126%0.25534%0.341SS..EExtended strand (participates in β ladder)trans-132.8107.3177.2179.20000107.7T394 V395 V497 E502T394-V499 WeakPolarHBondContact CA-O 3.49Å; V395-V499 HydrophobicContact CB-CB 3.91Å; V395-V499 HydrophobicContact CB-CG2 3.94Å; V395-V499 HydrophobicContact CG2-CB 3.96Å; V395-V499 HydrophobicContact CG2-CG2 3.88Å; V395-V499 PolarHBondContact N-O 3.42Å; V395-V499 PolarHBondContact O-N 3.44Å; V497-V499 WeakPolarHBondContact CG1-O 3.26Å; V499-E502 HydrophobicContact CG1-CG 3.76Å
500Q76.4Confident75.3Confident57 Ų5768.5 Ų68.527%0.26638%0.375SS..EExtended strand (participates in β ladder)trans-58.6-54.2-172-78.4-170.8-36.900112.9T394 N482 V484 S486 M489T394-Q500 WeakPolarHBondContact CG2-O 3.25Å; N482-Q500 WeakPolarHBondContact OD1-CB 3.32Å; V484-Q500 PolarHBondContact O-NE2 3.04Å; S486-Q500 VanDerWaalsContact N-NE2 3.12Å; M489-Q500 HydrophobicContact CE-CB 3.85Å; M489-Q500 HydrophobicContact CE-CG 4.07Å; M489-Q500 HydrophobicContact SD-CB 3.99Å; M489-Q500 HydrophobicContact SD-CG 4.03Å
501A80.7Confident74Confident4 Ų472.1 Ų72.13%0.03339%0.392CS..EExtended strand (participates in β ladder)trans-166.5134.9165.200000112.2V392 V393 T394 A478 L481 N482V392-A501 HydrophobicContact CG1-CB 3.74Å; V393-A501 WeakPolarHBondContact O-CA 3.44Å; T394-A501 HydrophobicContact CG2-CB 4.23Å; A478-A501 HydrophobicContact CB-CB 3.75Å; L481-A501 HydrophobicContact CB-CB 3.82Å; L481-A501 HydrophobicContact CD1-CB 4.13Å; N482-A501 PolarHBondContact ND2-O 3.24Å; N482-A501 PolarHBondContact OD1-N 2.99Å; N482-A501 PolarHBondContact OD1-O 2.79Å
502E82.2Confident72.9Confident83 Ų8371.5 Ų71.539%0.38839%0.389SS..EExtended strand (participates in β ladder)trans-129.6144.4167.1-67.4-163.1126.900110.7V393 V499 K506V393-E502 PolarHBondContact N-O 3.03Å; V393-E502 PolarHBondContact O-N 2.89Å; V499-E502 HydrophobicContact CG1-CG 3.76Å; E502-K506 WeakPolarHBondContact OE1-CE 3.3Å; E502-K506 IonicContact OE1-NZ 2.69Å; E502-K506 PolarHBondContact OE1-NZ 3.03Å; E502-K506 VanDerWaalsContact OE2-CE 3.27Å; E502-K506 WeakPolarHBondContact OE2-CE 3.14Å; E502-K506 IonicContact OE2-NZ 3.63Å; E502-K506 PolarHBondContact OE2-NZ 3.06Å
503P80.1Confident72.1Confident25 Ų2580.5 Ų80.516%0.16242%0.419CS..EExtended strand (participates in β ladder)trans-69140.6171.229.1-33.4000110.9T475 V505 K506T475-P503 HydrophobicContact CG2-CB 4.23Å; T475-P503 HydrophobicContact CG2-CG 4.22Å; P503-V505 VanDerWaalsContact C-N 3.33Å; P503-V505 PolarHBondContact O-N 2.9Å; P503-K506 HydrophobicContact CG-CG 4.14Å
504V73.9Confident71.3Confident54 Ų5485.3 Ų85.333%0.32744%0.444SS..SBendtrans-58.3-48.3172.3169.10000110.4W391 V393 T462 K506W391-V504 HydrophobicContact CB-CB 3.91Å; W391-V504 HydrophobicContact CB-CG2 3.45Å; W391-V504 VanDerWaalsContact CB-CG2 3.45Å; W391-V504 HydrophobicContact CE3-CG1 4.45Å; W391-V504 HydrophobicContact CE3-CG2 4.34Å; W391-V504 PolarHBondContact O-N 3.49Å; V393-V504 HydrophobicContact CG2-CB 4.35Å; V393-V504 HydrophobicContact CG2-CG2 3.35Å; T462-V504 HydrophobicContact CG2-CG2 3.62Å; V504-K506 PolarHBondContact O-N 3.37Å
505V70.8Confident70.4Confident42 Ų4287.2 Ų87.226%0.25544%0.442SS..SBendtrans-93.593.5173.2-1730000108.7R388 D389 P503 N507R388-V505 HydrophobicContact CB-CG2 3.93Å; D389-V505 WeakPolarHBondContact OD1-CB 3.25Å; D389-V505 WeakPolarHBondContact OD1-CG1 3.3Å; D389-V505 WeakPolarHBondContact OD1-CG2 3.22Å; P503-V505 VanDerWaalsContact C-N 3.33Å; P503-V505 PolarHBondContact O-N 2.9Å; V505-N507 WeakPolarHBondContact CG1-ND2 3.39Å; V505-N507 PolarHBondContact O-N 3.17Å
506K62.3Low69.5Low123 Ų12386.9 Ų86.954%0.53545%0.451SS..  trans-70.172.8164.7-63.8-174.6-171.2-175.70109.4E502 P503 V504 P508E502-K506 WeakPolarHBondContact OE1-CE 3.3Å; E502-K506 IonicContact OE1-NZ 2.69Å; E502-K506 PolarHBondContact OE1-NZ 3.03Å; E502-K506 VanDerWaalsContact OE2-CE 3.27Å; E502-K506 WeakPolarHBondContact OE2-CE 3.14Å; E502-K506 IonicContact OE2-NZ 3.63Å; E502-K506 PolarHBondContact OE2-NZ 3.06Å; P503-K506 HydrophobicContact CG-CG 4.14Å; V504-K506 PolarHBondContact O-N 3.37Å; K506-P508 WeakPolarHBondContact O-CD 3.31Å; K506-P508 VanDerWaalsContact O-N 3.14Å
507N50.9Low69.1Low98 Ų9883.9 Ų83.952%0.52445%0.451SS..PPolyproline II helixtrans-55.3116.9163.7-81.2-58.1000107.3V505V505-N507 WeakPolarHBondContact CG1-ND2 3.39Å; V505-N507 PolarHBondContact O-N 3.17Å
508P53Low69.1Low86 Ų8686.4 Ų86.456%0.55847%0.466SS*.PPolyproline II helixtrans-62.1159.7176.627.7-34.3000109.4K506 N510K506-P508 WeakPolarHBondContact O-CD 3.31Å; K506-P508 VanDerWaalsContact O-N 3.14Å; P508-N510 PolarHBondContact O-N 3.41Å; P508-N510 VanDerWaalsContact O-N 3.15Å
509P49.8Very low69.2Low122 Ų12284 Ų8479%0.79246%0.456SS*.SBendtrans-51.1129.2166.124.6-33.7000108.1
510N53.8Low69.3Low136 Ų13684.6 Ų84.673%0.72747%0.465SS*.  trans-45.9160.2-165.2-80.7-22.6000113.8P508 L512P508-N510 PolarHBondContact O-N 3.41Å; P508-N510 VanDerWaalsContact O-N 3.15Å; N510-L512 PolarHBondContact O-N 3.3Å
511N59.4Low69.8Low93 Ų9385.1 Ų85.150%0.49747%0.474SS..THydrogen-bonded Turntrans-5418.2-179.5-66.9-24.9000117W513 I514 I515N511-W513 PolarHBondContact O-N 3.32Å; N511-I514 HydrophobicContact CB-CB 4.21Å; N511-I514 HydrophobicContact CB-CD1 4.49Å; N511-I514 CarbonylContact O-C 3.4Å; N511-I514 WeakPolarHBondContact O-CA 3.33Å; N511-I514 WeakPolarHBondContact O-CB 3.34Å; N511-I514 PolarHBondContact O-N 3.1Å; N511-I515 HydrophobicContact CB-CD1 4.24Å; N511-I515 HydrophobicContact CB-CG1 4.43Å; N511-I515 WeakPolarHBondContact O-CB 3.41Å; N511-I515 VanDerWaalsContact O-CG1 3.28Å; N511-I515 WeakPolarHBondContact O-CG1 3.38Å; N511-I515 PolarHBondContact O-N 3.47Å
512L64.3Low70.2Confident130 Ų13089.2 Ų89.268%0.68149%0.494SS*.Hα-helixtrans-47.5-41.6172.7-124.1161.5000112.9N510 A516N510-L512 PolarHBondContact O-N 3.3Å; L512-A516 WeakPolarHBondContact O-CB 3.31Å; L512-A516 PolarHBondContact O-N 2.82Å
513W67.2Low70.3Confident223 Ų22388.4 Ų88.485%0.84550%0.498SS*.Hα-helixtrans-67.4-38.8174-72.5103.8000113.1N511 A517N511-W513 PolarHBondContact O-N 3.32Å; W513-A517 WeakPolarHBondContact O-CB 3.34Å; W513-A517 PolarHBondContact O-N 2.84Å
514I69.1Low70.9Confident103 Ų10391 Ų9153%0.52851%0.513SS..Hα-helixtrans-72.3-40.4177.3-71.3162.5000110.7N511 A517 V518N511-I514 HydrophobicContact CB-CB 4.21Å; N511-I514 HydrophobicContact CB-CD1 4.49Å; N511-I514 CarbonylContact O-C 3.4Å; N511-I514 WeakPolarHBondContact O-CA 3.33Å; N511-I514 WeakPolarHBondContact O-CB 3.34Å; N511-I514 PolarHBondContact O-N 3.1Å; I514-A517 PolarHBondContact O-N 3.03Å; I514-V518 WeakPolarHBondContact O-CB 3.34Å; I514-V518 VanDerWaalsContact O-CG2 3.3Å; I514-V518 WeakPolarHBondContact O-CG2 3.16Å; I514-V518 PolarHBondContact O-N 3.06Å
515I67.5Low71.8Confident85 Ų8592.2 Ų92.244%0.43652%0.52SS..Hα-helixtrans-64.1-43.6175.1-70.8165.3000109.8N511 V518 L519N511-I515 HydrophobicContact CB-CD1 4.24Å; N511-I515 HydrophobicContact CB-CG1 4.43Å; N511-I515 WeakPolarHBondContact O-CB 3.41Å; N511-I515 VanDerWaalsContact O-CG1 3.28Å; N511-I515 WeakPolarHBondContact O-CG1 3.38Å; N511-I515 PolarHBondContact O-N 3.47Å; I515-V518 PolarHBondContact O-N 2.78Å; I515-L519 HydrophobicContact CG2-CD1 3.52Å; I515-L519 HydrophobicContact CG2-CG 4.3Å; I515-L519 VanDerWaalsContact O-CB 3.23Å; I515-L519 WeakPolarHBondContact O-CB 3.13Å; I515-L519 VanDerWaalsContact O-CG 3.25Å; I515-L519 WeakPolarHBondContact O-CG 3.42Å; I515-L519 PolarHBondContact O-N 3.4Å
516A68.4Low72.7Confident48 Ų4893.4 Ų93.440%0.39753%0.528SS..Hα-helixtrans-64.3-45.1172.700000112.1L512 V518 L519 A520L512-A516 WeakPolarHBondContact O-CB 3.31Å; L512-A516 PolarHBondContact O-N 2.82Å; A516-V518 PolarHBondContact O-N 3.45Å; A516-L519 PolarHBondContact O-N 3.38Å; A516-A520 VanDerWaalsContact O-CB 3.23Å; A516-A520 WeakPolarHBondContact O-CB 3.22Å; A516-A520 PolarHBondContact O-N 3.32Å
517A77.9Confident74Confident69 Ų6992.3 Ų92.357%0.5753%0.527SS*.Hα-helixtrans-65.1-23.9178.400000113.7W513 I514 P521W513-A517 WeakPolarHBondContact O-CB 3.34Å; W513-A517 PolarHBondContact O-N 2.84Å; I514-A517 PolarHBondContact O-N 3.03Å; A517-P521 WeakPolarHBondContact O-CD 3.23Å; A517-P521 VanDerWaalsContact O-CG 3.25Å; A517-P521 WeakPolarHBondContact O-CG 3.3Å
518V83.7Confident75.9Confident82 Ų8291.6 Ų91.650%0.49752%0.523SS..Hα-helixtrans-91.9-40.4174.9171.50000112I514 I515 A516 P521 I522I514-V518 WeakPolarHBondContact O-CB 3.34Å; I514-V518 VanDerWaalsContact O-CG2 3.3Å; I514-V518 WeakPolarHBondContact O-CG2 3.16Å; I514-V518 PolarHBondContact O-N 3.06Å; I515-V518 PolarHBondContact O-N 2.78Å; A516-V518 PolarHBondContact O-N 3.45Å; V518-P521 WeakPolarHBondContact O-CD 3.34Å; V518-P521 WeakPolarHBondContact O-CG 3.27Å; V518-I522 HydrophobicContact CG1-CD1 3.74Å; V518-I522 WeakPolarHBondContact O-CD1 3.14Å; V518-I522 VanDerWaalsContact O-CG1 3.24Å; V518-I522 WeakPolarHBondContact O-CG1 3.36Å; V518-I522 PolarHBondContact O-N 3.3Å
519L81Confident77.6Confident59 Ų5992 Ų9231%0.30952%0.519SS..Hα-helixtrans-70.5-36.4178.8-73.7169.8000113I515 A516 I522 S523I515-L519 HydrophobicContact CG2-CD1 3.52Å; I515-L519 HydrophobicContact CG2-CG 4.3Å; I515-L519 VanDerWaalsContact O-CB 3.23Å; I515-L519 WeakPolarHBondContact O-CB 3.13Å; I515-L519 VanDerWaalsContact O-CG 3.25Å; I515-L519 WeakPolarHBondContact O-CG 3.42Å; I515-L519 PolarHBondContact O-N 3.4Å; A516-L519 PolarHBondContact O-N 3.38Å; L519-I522 PolarHBondContact O-N 2.91Å; L519-S523 WeakPolarHBondContact O-CB 3.49Å; L519-S523 PolarHBondContact O-N 3.29Å; L519-S523 PolarHBondContact O-OG 3.03Å
520A82.4Confident79.4Confident54 Ų5491.2 Ų91.245%0.44651%0.507SS..Hα-helixtrans-55.9-56178.400000112.8A516 I522 S523 V524A516-A520 VanDerWaalsContact O-CB 3.23Å; A516-A520 WeakPolarHBondContact O-CB 3.22Å; A516-A520 PolarHBondContact O-N 3.32Å; A520-I522 PolarHBondContact O-N 3.43Å; A520-S523 PolarHBondContact O-N 3.4Å; A520-S523 PolarHBondContact O-OG 2.83Å; A520-V524 WeakPolarHBondContact O-CG2 3.4Å; A520-V524 PolarHBondContact O-N 3.27Å
521P87.3Confident81Confident68 Ų6889.2 Ų89.244%0.44250%0.495SS..Hα-helixtrans-65.3-34.817725-33.6000113A517 V518 S523 V524 V525A517-P521 WeakPolarHBondContact O-CD 3.23Å; A517-P521 VanDerWaalsContact O-CG 3.25Å; A517-P521 WeakPolarHBondContact O-CG 3.3Å; V518-P521 WeakPolarHBondContact O-CD 3.34Å; V518-P521 WeakPolarHBondContact O-CG 3.27Å; P521-S523 VanDerWaalsContact C-N 3.33Å; P521-S523 PolarHBondContact O-N 2.98Å; P521-V524 PolarHBondContact O-N 3.11Å; P521-V525 WeakPolarHBondContact O-CB 3.28Å; P521-V525 WeakPolarHBondContact O-CG2 3.43Å; P521-V525 PolarHBondContact O-N 3.19Å
522I89.1Confident82.2Confident91 Ų9189 Ų8947%0.46749%0.493SS..Hα-helixtrans-60.8-43.8174.3-68.8170.9000110.5V518 L519 A520 V524 V525 T526V518-I522 HydrophobicContact CG1-CD1 3.74Å; V518-I522 WeakPolarHBondContact O-CD1 3.14Å; V518-I522 VanDerWaalsContact O-CG1 3.24Å; V518-I522 WeakPolarHBondContact O-CG1 3.36Å; V518-I522 PolarHBondContact O-N 3.3Å; L519-I522 PolarHBondContact O-N 2.91Å; A520-I522 PolarHBondContact O-N 3.43Å; I522-V524 VanDerWaalsContact C-N 3.35Å; I522-V524 PolarHBondContact O-N 3.5Å; I522-V525 PolarHBondContact O-N 3.17Å; I522-T526 WeakPolarHBondContact O-CG2 3.28Å; I522-T526 PolarHBondContact O-N 2.9Å; I522-T526 PolarHBondContact O-OG1 2.82Å
523S84.1Confident83Confident66 Ų6686.2 Ų86.246%0.46248%0.482SS..Hα-helixtrans-65.7-35.6178.577.30000113L519 A520 P521 T526 L527L519-S523 WeakPolarHBondContact O-CB 3.49Å; L519-S523 PolarHBondContact O-N 3.29Å; L519-S523 PolarHBondContact O-OG 3.03Å; A520-S523 PolarHBondContact O-N 3.4Å; A520-S523 PolarHBondContact O-OG 2.83Å; P521-S523 VanDerWaalsContact C-N 3.33Å; P521-S523 PolarHBondContact O-N 2.98Å; S523-T526 PolarHBondContact O-OG1 2.65Å; S523-T526 VanDerWaalsContact O-OG1 3.12Å; S523-L527 VanDerWaalsContact O-CB 3.28Å; S523-L527 WeakPolarHBondContact O-CB 3.35Å; S523-L527 PolarHBondContact O-N 2.82Å
524V92.1Very high83.5Confident78 Ų7878.3 Ų78.347%0.47346%0.464SS..Hα-helixtrans-70.3-41.8174.8171.80000110.4A520 P521 I522 L527 I528A520-V524 WeakPolarHBondContact O-CG2 3.4Å; A520-V524 PolarHBondContact O-N 3.27Å; P521-V524 PolarHBondContact O-N 3.11Å; I522-V524 VanDerWaalsContact C-N 3.35Å; I522-V524 PolarHBondContact O-N 3.5Å; V524-L527 PolarHBondContact O-N 3.47Å; V524-I528 HydrophobicContact CG1-CD1 3.78Å; V524-I528 HydrophobicContact CG1-CG1 4.49Å; V524-I528 WeakPolarHBondContact O-CB 3.32Å; V524-I528 WeakPolarHBondContact O-CD1 3.45Å; V524-I528 VanDerWaalsContact O-CG1 3.23Å; V524-I528 WeakPolarHBondContact O-CG1 3.4Å; V524-I528 PolarHBondContact O-N 3.16Å
525V93.3Very high84Confident80 Ų8077.5 Ų77.549%0.48546%0.464SS..Hα-helixtrans-64.4-43.3175.6169.60000111.4P521 I522 I528 I529P521-V525 WeakPolarHBondContact O-CB 3.28Å; P521-V525 WeakPolarHBondContact O-CG2 3.43Å; P521-V525 PolarHBondContact O-N 3.19Å; I522-V525 PolarHBondContact O-N 3.17Å; V525-I528 PolarHBondContact O-N 3.02Å; V525-I529 HydrophobicContact CG1-CD1 3.81Å; V525-I529 HydrophobicContact CG1-CG1 4.5Å; V525-I529 VanDerWaalsContact O-CG1 3.28Å; V525-I529 WeakPolarHBondContact O-CG1 3.44Å; V525-I529 PolarHBondContact O-N 2.73Å
526T89.7Confident84.2Confident67 Ų6777.9 Ų77.941%0.41147%0.466SS..Hα-helixtrans-67.6-37.4175.956.60000112.1I522 S523 I529 I530I522-T526 WeakPolarHBondContact O-CG2 3.28Å; I522-T526 PolarHBondContact O-N 2.9Å; I522-T526 PolarHBondContact O-OG1 2.82Å; S523-T526 PolarHBondContact O-OG1 2.65Å; S523-T526 VanDerWaalsContact O-OG1 3.12Å; T526-I529 PolarHBondContact O-N 3.42Å; T526-I530 WeakPolarHBondContact O-CB 3.38Å; T526-I530 WeakPolarHBondContact O-CD1 3.42Å; T526-I530 VanDerWaalsContact O-CG1 3.24Å; T526-I530 WeakPolarHBondContact O-CG1 3.45Å; T526-I530 PolarHBondContact O-N 3.24Å
527L90.1Very high83.9Confident100 Ų10079.3 Ų79.352%0.52447%0.472SS..Hα-helixtrans-62.1-43172.6-174.767.8000111.8S523 V524 I530 I531S523-L527 VanDerWaalsContact O-CB 3.28Å; S523-L527 WeakPolarHBondContact O-CB 3.35Å; S523-L527 PolarHBondContact O-N 2.82Å; V524-L527 PolarHBondContact O-N 3.47Å; L527-I530 PolarHBondContact O-N 2.89Å; L527-I531 HydrophobicContact CD1-CD1 4.42Å; L527-I531 HydrophobicContact CG-CD1 4Å; L527-I531 WeakPolarHBondContact O-CB 3.49Å; L527-I531 VanDerWaalsContact O-CG1 3.29Å; L527-I531 WeakPolarHBondContact O-CG1 3.35Å; L527-I531 PolarHBondContact O-N 2.94Å
528I90.4Very high83.3Confident84 Ų8484 Ų8443%0.43148%0.48SS..Hα-helixtrans-62.2-43.9174.6-72.1165.1000110.7V524 V525 I530 I531 I532V524-I528 HydrophobicContact CG1-CD1 3.78Å; V524-I528 HydrophobicContact CG1-CG1 4.49Å; V524-I528 WeakPolarHBondContact O-CB 3.32Å; V524-I528 WeakPolarHBondContact O-CD1 3.45Å; V524-I528 VanDerWaalsContact O-CG1 3.23Å; V524-I528 WeakPolarHBondContact O-CG1 3.4Å; V524-I528 PolarHBondContact O-N 3.16Å; V525-I528 PolarHBondContact O-N 3.02Å; I528-I530 PolarHBondContact O-N 2.71Å; I528-I531 PolarHBondContact O-N 3.04Å; I528-I532 HydrophobicContact CG2-CD1 3.62Å; I528-I532 HydrophobicContact CG2-CG1 4.31Å; I528-I532 WeakPolarHBondContact O-CB 3.42Å; I528-I532 VanDerWaalsContact O-CG1 3.27Å; I528-I532 WeakPolarHBondContact O-CG1 3.22Å; I528-I532 PolarHBondContact O-N 3.11Å
529I89.4Confident82.2Confident93 Ų9387.3 Ų87.348%0.47749%0.488SS..Hα-helixtrans-62.6-41.1175.5-69.7164.3000111V525 T526 I532 T533V525-I529 HydrophobicContact CG1-CD1 3.81Å; V525-I529 HydrophobicContact CG1-CG1 4.5Å; V525-I529 VanDerWaalsContact O-CG1 3.28Å; V525-I529 WeakPolarHBondContact O-CG1 3.44Å; V525-I529 PolarHBondContact O-N 2.73Å; T526-I529 PolarHBondContact O-N 3.42Å; I529-I532 PolarHBondContact O-N 3.34Å; I529-T533 VanDerWaalsContact O-CB 3.23Å; I529-T533 WeakPolarHBondContact O-CB 3.13Å; I529-T533 PolarHBondContact O-N 3.36Å; I529-T533 PolarHBondContact O-OG1 2.81Å
530I86.9Confident81Confident107 Ų10789.3 Ų89.355%0.54950%0.499SS..Hα-helixtrans-64.8-42.2176.2-70.9162.7000110.8T526 L527 I528 T533 A534T526-I530 WeakPolarHBondContact O-CB 3.38Å; T526-I530 WeakPolarHBondContact O-CD1 3.42Å; T526-I530 VanDerWaalsContact O-CG1 3.24Å; T526-I530 WeakPolarHBondContact O-CG1 3.45Å; T526-I530 PolarHBondContact O-N 3.24Å; L527-I530 PolarHBondContact O-N 2.89Å; I528-I530 PolarHBondContact O-N 2.71Å; I530-T533 PolarHBondContact O-N 3.49Å; I530-A534 WeakPolarHBondContact O-CB 3.47Å; I530-A534 PolarHBondContact O-N 3.34Å
531I87.1Confident79.5Confident93 Ų9394.8 Ų94.848%0.47751%0.512SS..Hα-helixtrans-66.1-45.8176.3-69.4165.8000110.8L527 I528 T533 A534 V535L527-I531 HydrophobicContact CD1-CD1 4.42Å; L527-I531 HydrophobicContact CG-CD1 4Å; L527-I531 WeakPolarHBondContact O-CB 3.49Å; L527-I531 VanDerWaalsContact O-CG1 3.29Å; L527-I531 WeakPolarHBondContact O-CG1 3.35Å; L527-I531 PolarHBondContact O-N 2.94Å; I528-I531 PolarHBondContact O-N 3.04Å; I531-T533 VanDerWaalsContact C-N 3.34Å; I531-T533 PolarHBondContact O-N 2.94Å; I531-A534 PolarHBondContact O-N 2.83Å; I531-V535 HydrophobicContact CG2-CG2 4.4Å; I531-V535 WeakPolarHBondContact O-CB 3.49Å; I531-V535 VanDerWaalsContact O-CG2 3.27Å; I531-V535 WeakPolarHBondContact O-CG2 3.38Å; I531-V535 PolarHBondContact O-N 3.33Å
532I86.1Confident77.8Confident88 Ų8897.8 Ų97.845%0.45153%0.525SS..Hα-helixtrans-61.2-44176.2-72.8171.4000110.4I528 I529 V535 L536I528-I532 HydrophobicContact CG2-CD1 3.62Å; I528-I532 HydrophobicContact CG2-CG1 4.31Å; I528-I532 WeakPolarHBondContact O-CB 3.42Å; I528-I532 VanDerWaalsContact O-CG1 3.27Å; I528-I532 WeakPolarHBondContact O-CG1 3.22Å; I528-I532 PolarHBondContact O-N 3.11Å; I529-I532 PolarHBondContact O-N 3.34Å; I532-V535 PolarHBondContact O-N 3.03Å; I532-L536 HydrophobicContact CG2-CD1 3.69Å; I532-L536 HydrophobicContact CG2-CG 4.32Å; I532-L536 VanDerWaalsContact O-CB 3.32Å; I532-L536 WeakPolarHBondContact O-CB 3.49Å; I532-L536 VanDerWaalsContact O-CG 3.3Å; I532-L536 WeakPolarHBondContact O-CG 3.46Å; I532-L536 PolarHBondContact O-N 3.3Å
533T79.8Confident75.8Confident72 Ų7299.7 Ų99.744%0.44254%0.536SS..Hα-helixtrans-65-43176.6-55.90000111I529 I530 I531 V535 L536 C537I529-T533 VanDerWaalsContact O-CB 3.23Å; I529-T533 WeakPolarHBondContact O-CB 3.13Å; I529-T533 PolarHBondContact O-N 3.36Å; I529-T533 PolarHBondContact O-OG1 2.81Å; I530-T533 PolarHBondContact O-N 3.49Å; I531-T533 VanDerWaalsContact C-N 3.34Å; I531-T533 PolarHBondContact O-N 2.94Å; T533-V535 VanDerWaalsContact C-N 3.34Å; T533-V535 PolarHBondContact O-N 3.47Å; T533-L536 PolarHBondContact O-N 2.85Å; T533-C537 WeakPolarHBondContact O-CB 3.47Å; T533-C537 PolarHBondContact O-N 3.14Å; T533-C537 PolarHBondContact O-SG 2.94Å
534A78.1Confident73.8Confident58 Ų58106.2 Ų106.248%0.47956%0.556SS.*Hα-helixtrans-64.8-36.7175.900000112.4I530 I531 K538I530-A534 WeakPolarHBondContact O-CB 3.47Å; I530-A534 PolarHBondContact O-N 3.34Å; I531-A534 PolarHBondContact O-N 2.83Å; A534-K538 WeakPolarHBondContact O-CB 3.39Å; A534-K538 PolarHBondContact O-N 3.35Å
535V78.9Confident71.4Confident86 Ų86109.8 Ų109.852%0.52157%0.565SS.*Hα-helixtrans-73.4-41.9176.4169.70000111.4I531 I532 T533 K538 K539I531-V535 HydrophobicContact CG2-CG2 4.4Å; I531-V535 WeakPolarHBondContact O-CB 3.49Å; I531-V535 VanDerWaalsContact O-CG2 3.27Å; I531-V535 WeakPolarHBondContact O-CG2 3.38Å; I531-V535 PolarHBondContact O-N 3.33Å; I532-V535 PolarHBondContact O-N 3.03Å; T533-V535 VanDerWaalsContact C-N 3.34Å; T533-V535 PolarHBondContact O-N 3.47Å; V535-K538 CarbonylContact O-C 3.44Å; V535-K538 PolarHBondContact O-N 2.67Å; V535-K539 VanDerWaalsContact O-CB 3.32Å; V535-K539 WeakPolarHBondContact O-CB 3.28Å; V535-K539 PolarHBondContact O-N 3.37Å
536L71.6Confident68.9Low93 Ų93110.7 Ų110.749%0.48758%0.581SS.*Hα-helixtrans-64.7-47.5174.3-74.7169.8000111.3I532 T533 K538 K539 N540I532-L536 HydrophobicContact CG2-CD1 3.69Å; I532-L536 HydrophobicContact CG2-CG 4.32Å; I532-L536 VanDerWaalsContact O-CB 3.32Å; I532-L536 WeakPolarHBondContact O-CB 3.49Å; I532-L536 VanDerWaalsContact O-CG 3.3Å; I532-L536 WeakPolarHBondContact O-CG 3.46Å; I532-L536 PolarHBondContact O-N 3.3Å; T533-L536 PolarHBondContact O-N 2.85Å; L536-K538 PolarHBondContact O-N 3.48Å; L536-K539 PolarHBondContact O-N 3.38Å; L536-N540 PolarHBondContact O-N 2.86Å
537C62.8Low66.5Low77 Ų77113 Ų11352%0.5259%0.591SS.*Hα-helixtrans-68.9-15.2174.6-66.80000113.5T533 K541T533-C537 WeakPolarHBondContact O-CB 3.47Å; T533-C537 PolarHBondContact O-N 3.14Å; T533-C537 PolarHBondContact O-SG 2.94Å; C537-K541 WeakPolarHBondContact O-CB 3.41Å; C537-K541 WeakPolarHBondContact O-CD 3.34Å; C537-K541 VanDerWaalsContact O-CG 3.27Å; C537-K541 WeakPolarHBondContact O-CG 3.24Å
538K65.1Low64.1Low168 Ų168112.5 Ų112.573%0.7360%0.602SS**Hα-helixtrans-87.9-21.6168.4-173.9174.8-179.5-178.20112.6A534 V535 L536A534-K538 WeakPolarHBondContact O-CB 3.39Å; A534-K538 PolarHBondContact O-N 3.35Å; V535-K538 CarbonylContact O-C 3.44Å; V535-K538 PolarHBondContact O-N 2.67Å; L536-K538 PolarHBondContact O-N 3.48Å
539K60.2Low61.7Low151 Ų151116.6 Ų116.666%0.65762%0.622SS**Hα-helixtrans-90.8-43.3178.6-167.1174.5-179.6-177.40112.6V535 L536 K541V535-K539 VanDerWaalsContact O-CB 3.32Å; V535-K539 WeakPolarHBondContact O-CB 3.28Å; V535-K539 PolarHBondContact O-N 3.37Å; L536-K539 PolarHBondContact O-N 3.38Å; K539-K541 PolarHBondContact O-N 3.02Å
540N56Low59.1Low102 Ų102115.2 Ų115.255%0.54563%0.632SS.*G310 helixtrans-74.9-2.6172.7-79.522000113.5L536 N542 D543L536-N540 PolarHBondContact O-N 2.86Å; N540-N542 PolarHBondContact O-N 3.4Å; N540-N542 VanDerWaalsContact O-N 3.1Å; N540-D543 PolarHBondContact O-N 2.93Å
541K51.5Low56.8Low168 Ų168117.1 Ų117.173%0.7364%0.643SS**G310 helixtrans-68-3.5176.9-117.3176.6-175.4-178.60114.3C537 K539C537-K541 WeakPolarHBondContact O-CB 3.41Å; C537-K541 WeakPolarHBondContact O-CD 3.34Å; C537-K541 VanDerWaalsContact O-CG 3.27Å; C537-K541 WeakPolarHBondContact O-CG 3.24Å; K539-K541 PolarHBondContact O-N 3.02Å
542N52.1Low54.6Low132 Ų132119.7 Ų119.771%0.70666%0.657SS**G310 helixtrans-87.8-31.4175-65.2-1.8000112.6N540N540-N542 PolarHBondContact O-N 3.4Å; N540-N542 VanDerWaalsContact O-N 3.1Å
543D45.5Very low52.1Low130 Ų130121.7 Ų121.770%0.69567%0.668SS**THydrogen-bonded Turntrans-103.3-25.6-165.3-58.1-44000114N540 K545N540-D543 PolarHBondContact O-N 2.93Å; D543-K545 VanDerWaalsContact C-N 3.35Å; D543-K545 PolarHBondContact O-N 3.36Å
544F43.6Very low50.7Low204 Ų204123.3 Ų123.390%0.89568%0.68SS**  trans-93.468.2169.7-92.5-86.3000111.9
545K40.6Very low48.4Very low152 Ų152131.9 Ų131.966%0.66170%0.7SS**  trans-120.295.7165.8-172.9-170.6178.9-65.90110.2D543 D547D543-K545 VanDerWaalsContact C-N 3.35Å; D543-K545 PolarHBondContact O-N 3.36Å; K545-D547 IonicContact NZ-OD1 2.72Å; K545-D547 IonicContact NZ-OD2 3.25Å; K545-D547 PolarHBondContact NZ-OD2 2.92Å
546A41.7Very low46.3Very low99 Ų99131.9 Ų131.982%0.81871%0.709SS**  trans-164.1147.3153.500000110.3
547D38.5Very low44.9Very low117 Ų117137 Ų13763%0.62673%0.727SS**  -168.1168.3-51.5-119.1-55.6000106.8K545K545-D547 IonicContact NZ-OD1 2.72Å; K545-D547 IonicContact NZ-OD2 3.25Å; K545-D547 PolarHBondContact NZ-OD2 2.92Å
548A39.5Very low44.2Very low89 Ų89139 Ų13974%0.73674%0.739SS**  trans65.9155.5-178.900000115.2
549I40.5Very low43.2Very low169 Ų169137 Ų13787%0.86774%0.74SS**  cis-119125.20.9-65.4167.2000107.1
550G35.9Very low42.5Very low65 Ų65138.6 Ų138.667%0.6775%0.75SS**  97.893.392.600000110.4
551N36.9Very low41.4Very low147 Ų147137.4 Ų137.479%0.78676%0.762SS**  cis80.3154.147.7-158.98.3000113.2
552L40.8Very low40.7Very low146 Ų146138.4 Ų138.476%0.76477%0.767SS**  trans77.2145.6-175.5-46.7178.5000115.2
553N34.5Very low39.9Very low131 Ų131137.9 Ų137.970%0.70176%0.764SS**  cis176179.4-34.4-114.5-37.2000107.4
554P50.9Low39.2Very low105 Ų105141 Ų14168%0.68277%0.768SS**  cis-134.6152.2-24.833.1-14000115.8
555R29.8Very low38.9Very low239 Ų239135.7 Ų135.790%0.90276%0.761SS**  trans62.3124.9131.5-164.3169.5-172.391.9-1.2123.2
556A34.3Very low38.5Very low85 Ų85137 Ų13770%0.70277%0.767SS**  trans74.187.9145.900000122.3
557K42.7Very low38.2Very low202 Ų202138.3 Ų138.388%0.87876%0.756SS**  12.2137.5122.6-64.2-178-178.5-177.80117.5
558P46.7Very low38Very low117 Ų117140.3 Ų140.376%0.7676%0.761SS**  -143.8160.855.139.7-22.3000118.9
559V45.5Very low37.7Very low126 Ų126143.7 Ų143.776%0.76477%0.766SS**  trans57.5116.2150174.90000120
560Q45.3Very low37.2Very low185 Ų185138.7 Ų138.786%0.86476%0.756SS**  trans53.7105.7144.6-168.9174.3-3.100119.2
561G33.2Very low37.2Very low78 Ų78144.4 Ų144.480%0.80477%0.765SS**  trans-162.7133.4172.600000114.6
562F35.4Very low37Very low188 Ų188145.3 Ų145.383%0.82577%0.765SS**  trans-63.7162.4-178.6-94.4-123.3000117.2
563D35.4Very low36.4Very low121 Ų121142.2 Ų142.265%0.64777%0.768SS**  trans96.1144.5130.3-87.1-4.1000127.1
564Y32.2Very low36.3Very low197 Ų197139.7 Ų139.777%0.77377%0.773SS**  trans11.6100.4159.7-64.4-68.9000122
565A36.7Very low35.2Very low91 Ų91142.6 Ų142.675%0.75278%0.783SS**  61-170.9101.600000120.2
566K32.3Very low35.4Very low181 Ų181140.1 Ų140.179%0.78778%0.781SS**  trans87.8132.7161-152.9-179-176.6-178.60116.1
567Q34.8Very low35.7Very low126 Ų126143.8 Ų143.859%0.58978%0.784SS**  cis-176.7170.3-16.4-174.2175.8-500107.7
568H33.9Very low35.2Very low158 Ų158139.7 Ų139.773%0.73178%0.776SS**  trans88.8137.6158.9-51.5-74.4000120.9
569L34.5Very low34.6Very low160 Ų160141.9 Ų141.984%0.83878%0.781SS**  trans39.4144.7138.8-77.554.7000120.8
570G28.6Very low34.1Very low64 Ų64141.1 Ų141.166%0.6678%0.778SS**  cis153.3169.7-0.200000112.3
571Q37.4Very low33.1Very low185 Ų185137.3 Ų137.386%0.86477%0.768SS**  trans64.4150.4-180-74.8-178.7-59.400115.3
572Q31.7Very low32.9Very low167 Ų167139 Ų13978%0.7877%0.767SS**  cis172.7150.2-3.3166.9172.4-20.500106
573G29.6Very low32.5Very low80 Ų80137.1 Ų137.183%0.82576%0.761SS**  trans90.2152.1173.200000115.8
574G30.9Very low32Very low78 Ų78137.2 Ų137.280%0.80476%0.761SS**  cis14495.1-1200000114.8
575D28.3Very low32.1Very low167 Ų167134.7 Ų134.789%0.89377%0.766SS**  trans49.5108.3168.5-87.68.6000120.7
576E33.4Very low31.7Very low186 Ų186137.1 Ų137.187%0.86977%0.766SS**  trans-170156.6151.3-113.6174.8166.700106.9
577E42.1Very low31.5Very low163 Ų163134.5 Ų134.576%0.76277%0.765SS**  cis-138135.98.6-105.3179.9111.700112
578T31.7Very low30.9Very low116 Ų116136.1 Ų136.171%0.71277%0.774SS**  trans9.3130.813445.90000123
579L33.6Very low30.5Very low162 Ų162134.2 Ų134.285%0.84878%0.779SS**  trans-59.8152.1133.8-57.7170000108.9
580P34.9Very low30.3Very low111 Ų111133.2 Ų133.272%0.72177%0.774SS**  -163.4-175.153.846.2-23.7000119.3
581V25.1Very low30.3Very low105 Ų105137.5 Ų137.564%0.63678%0.777SS**  trans20.5126.2136.4-179.90000120.8Q583V581-Q583 HydrophobicContact CG1-CG 4.02Å
582S29Very low29.7Very low113 Ų113135.5 Ų135.579%0.7977%0.771SS**  -163.5130125-76.50000107.3
583Q26Very low29.6Very low148 Ų148137.4 Ų137.469%0.69277%0.771SS**  cis59.3138.148.3-64-163.1-84.800113.8V581V581-Q583 HydrophobicContact CG1-CG 4.02Å
584D25.8Very low29.3Very low124 Ų124138.4 Ų138.466%0.66376%0.757SS**  cis-159.5154.9-20.4-108.2-23.2000107.3
585T34.5Very low29Very low143 Ų143139.5 Ų139.588%0.87775%0.748SS**  trans-134.6110.2163.6-47.40000109.7
586L27.3Very low29Very low143 Ų143136.9 Ų136.975%0.74974%0.743SS**  trans-57.7154.5179.7-66.7159.6000111.1
587V28.2Very low28.6Very low126 Ų126135 Ų13576%0.76474%0.738SS**  cis-141.2134.941174.70000113.8
588M23.2Very low27.7Very low159 Ų159132 Ų13278%0.78374%0.735SS**  trans12117.9156.1-64.21505200120.5
589S25.6Very low27.5Very low119 Ų119133.4 Ų133.483%0.83274%0.737SS**  -161.4147.997.662.20000112.8
590L29.6Very low27Very low139 Ų139132.3 Ų132.373%0.72873%0.728SS**  trans-69.4161.1-178.1-82.267.3000112.2
591Q28Very low26.7Very low153 Ų153135 Ų13572%0.71573%0.728SS**  cis-163.1164.87.1-127.8174.6-15.500113.2
592I25.8Very low26.7Very low144 Ų144133.7 Ų133.774%0.73873%0.728SS**  trans71.199.5147.1-72.3158.9000119.8
593R28.9Very low26.5Very low207 Ų207136.3 Ų136.378%0.78173%0.733SS**  trans-71.5165.2143-77.4-179.673.3171.9-2.9110.3
594D24.3Very low26.5Very low100 Ų100134.5 Ų134.554%0.53572%0.724SS.*  cis-155.9147.610.6-125.76.9000113.6
595T24.2Very low26.5Very low102 Ų102134.8 Ų134.863%0.62672%0.721SS**  trans16.3127140.260.40000122.6
596S28.2Very low25.8Very low111 Ų111134.9 Ų134.978%0.77672%0.717SS**  -70.1150.1129.857.20000111.8
597L24.9Very low25.8Very low147 Ų147130.9 Ų130.977%0.7771%0.71SS**  trans176.9148.1152.9-92.8149.1000107.2
598S23.1Very low25.6Very low99 Ų99131.8 Ų131.869%0.69272%0.716SS**  cis82129.810-163.90000118
599L26.9Very low25.6Very low147 Ų147128.3 Ų128.377%0.7771%0.712SS**  trans85.8147.3155.1-13974.4000121.5
600E23.3Very low25.6Very low138 Ų138128.9 Ų128.965%0.64571%0.706SS**  trans68.1152.5164.3-63.6-155.1119.900117.9
601K29Very low25.4Very low169 Ų169130.6 Ų130.674%0.73571%0.708SS**  cis-161.8166.82.6-119.3163.8176.8135.70106.9
602A25Very low25.4Very low77 Ų77132.5 Ų132.564%0.63671%0.713SS**  cis-165.4176.5-4.200000111.7
603L24.4Very low25.4Very low168 Ų168130.7 Ų130.788%0.8871%0.714SS**  trans78.7157.8144.8-76.9164000124.3
604Q25.5Very low25.4Very low109 Ų109128.5 Ų128.551%0.50971%0.712SS.*  trans-84.1-178.6-175-91.3-174.5-39.600114.4
605Q25.6Very low25.5Very low130 Ų130129.3 Ų129.361%0.60772%0.721SS**  cis-174148.6-19.7162.4174.6-24.600108
606D21.4Very low25.6Very low146 Ų146128.3 Ų128.378%0.78172%0.723SS**  trans57.6161168.6-69.2-33000117.8
607G26Very low25.6Very low58 Ų58128.6 Ų128.660%0.59872%0.716SS**  cis176152.2-9.800000113.3
608T24.3Very low25.8Very low145 Ų145128.5 Ų128.589%0.8971%0.709SS**  trans58.8108.7163.443.50000122.2
609A23.3Very low26.1Very low87 Ų87131.4 Ų131.472%0.71971%0.712SS**  98.7146.4113.300000123.3
610N24.8Very low26.1Very low130 Ų130132.9 Ų132.970%0.69571%0.712SS**  trans85.4117154.3-82.2-53.1000122.4
611K26.9Very low26.2Very low175 Ų175131.4 Ų131.476%0.76172%0.717SS**  trans76.498.3131.2-69.8168.8-175.81710121.2
612K26.5Very low26Very low193 Ų193133.5 Ų133.584%0.83973%0.726SS**  67.488.9103.8-171.5-155.3176.7-175.40118.6
613S26Very low26.2Very low107 Ų107137.8 Ų137.875%0.74874%0.737SS**  -163145.1125.469.70000107.5
614H28.7Very low26.9Very low160 Ų160135.1 Ų135.174%0.74173%0.73SS**  cis55.1133.148.2-70.6-61.7000111.8
615T26.6Very low26.9Very low117 Ų117134.5 Ų134.572%0.71874%0.738SS**  cis-161.5144.410.3-6.80000111
616A26.9Very low27.1Very low82 Ų82136.4 Ų136.468%0.67875%0.747SS**  trans65172.1138.900000118.1
617D28.4Very low27.5Very low117 Ų117137.2 Ų137.263%0.62675%0.751SS**  cis-156.7164.2-5-139.6-21.1000114.1
618K29.3Very low27.6Very low145 Ų145138.3 Ų138.363%0.6376%0.762SS**  trans53.7118.6147-78.9149.7-166.1151.60123.9
619H28.4Very low28Very low160 Ų160137 Ų13774%0.74176%0.759SS**  84.8161.1120.2-73.6-173.8000121.3
620K27.3Very low28.3Very low177 Ų177138.9 Ų138.977%0.7776%0.761SS**  cis163.796.3-33.4173.3-169.7176.6-176.30110
621S24.8Very low28.4Very low108 Ų108139.6 Ų139.676%0.75576%0.764SS**  trans-168.7120.7168.938.40000109
622K26.8Very low28.3Very low212 Ų212135.3 Ų135.392%0.92276%0.756SS**  81.9133.488-82.2-167.7170.4-170.60115
623L27.2Very low28.5Very low168 Ų168133.1 Ų133.188%0.8875%0.753SS**  trans-79.6-175.7171.7-56.3163.2000110.5
624P40Very low28.7Very low111 Ų111136.9 Ų136.972%0.72176%0.759SS**  cis-141.3-173.24.444.7-26.3000117
625S25.5Very low28.6Very low97 Ų97133.6 Ų133.668%0.67875%0.754SS**  trans59.8163.9154.2-790000119.5
626E30.1Very low28.7Very low170 Ų170135 Ų13579%0.79475%0.752SS**  cis-144.1-174.8-2.3-147.6120.6-9600111.3
627D29.7Very low28.9Very low163 Ų163137.9 Ų137.987%0.87275%0.75SS**  trans-82.1168.2-172.7-64.3-75.3000116.7
628G28.7Very low28.9Very low81 Ų81138.4 Ų138.484%0.83575%0.751SS**  trans-169.492.5169.500000113.2
629S31.1Very low28.8Very low118 Ų118138 Ų13883%0.82576%0.756SS**  trans-124.8141.4-172.2-1790000112.6
630V30.9Very low28.7Very low125 Ų125135 Ų13576%0.75875%0.753SS**  trans-154.4127.6171.6-125.60000113.2
631I26.5Very low28.5Very low145 Ų145134.5 Ų134.574%0.74475%0.751SS**  trans32.9139.8149.468.1-171.9000122.1
632S25.9Very low28.7Very low85 Ų85140.4 Ų140.459%0.59476%0.757SS**  cis79.1151.222.397.40000115
633D28.8Very low28.7Very low148 Ų148133.8 Ų133.879%0.79175%0.749SS**  cis-152160.15.4-84.5-66.3000110.3
634E31.6Very low28.6Very low186 Ų186133.2 Ų133.287%0.86975%0.746SS**  trans-155.3118.1139.1-165160.8174.600114.6
635S27.1Very low27.9Very low90 Ų90134 Ų13463%0.62975%0.749SS**  trans47.4104.2144.4-141.60000120.4
636E28.3Very low28Very low146 Ų146135.5 Ų135.568%0.68275%0.754SS**  71.5147.880.6-76.9-157120.300115.2
637K31.3Very low28.2Very low144 Ų144133 Ų13363%0.62675%0.752SS**  cis-164.616921.1-132.7167.2177.5119.40109.2
638L28.3Very low27.9Very low127 Ų127134.3 Ų134.367%0.66575%0.75SS**  cis-145.3136.115.8-90.3161000111.7
639N25.5Very low27.7Very low137 Ų137136.1 Ų136.173%0.73375%0.745SS**  trans64.9138135.4-67.6-7000123.7
640S26.7Very low27.3Very low96 Ų96136.4 Ų136.467%0.67174%0.742SS**  cis-167.9156.7-14.2-159.40000114.2
641K24.1Very low27Very low167 Ų167134.6 Ų134.673%0.72674%0.74SS**  trans86.6135.8162.4-55.2173.2-174.4172.30118.4
642R27.9Very low26.8Very low232 Ų232135.5 Ų135.588%0.87574%0.741SS**  cis-168106.6-19174.9175.5-83.5-166.4-7.6111.7
643G26.9Very low26.6Very low74 Ų74138.6 Ų138.676%0.76375%0.746SS**  trans53-177149.100000120.6
644L25.2Very low26.4Very low156 Ų156138.6 Ų138.682%0.81774%0.739SS**  cis-164.7164.9-34.8-153.373.2000109.6
645T26.3Very low26.1Very low128 Ų128133.5 Ų133.579%0.78572%0.723SS**  trans72.5151.7157.440.50000122.2
646V27.6Very low26Very low127 Ų127133.2 Ų133.277%0.7772%0.718SS**  trans-129.1137.3-177.6160.90000107.8
647P32.9Very low26.2Very low117 Ų117134 Ų13476%0.7672%0.719SS**  -132.5150.5107.1914000112
648K24.7Very low26.1Very low191 Ų191133.5 Ų133.583%0.8372%0.719SS**  cis74.3143.349.8-159.5-177.2-177.6178.90112.8
649V24Very low26Very low119 Ų119134.4 Ų134.472%0.72172%0.72SS**  trans106.7107.9164.2-177.40000118.9
650T23.9Very low26.3Very low125 Ų125131.8 Ų131.877%0.76772%0.717SS**  trans45.1124.3148.762.80000125.2
651A23.4Very low26.4Very low86 Ų86137.1 Ų137.171%0.71172%0.723SS**  47.8141.8113.700000124.1
652Q21.9Very low26.7Very low164 Ų164138.7 Ų138.777%0.76672%0.724SS**  trans64115.1143.4-89.5-173.6-68.200121.9
653Q22.1Very low26.8Very low150 Ų150136.3 Ų136.370%0.70172%0.715SS**  77.993.6114.3-167.3177.1-53.800120.4
654K25.8Very low26.8Very low149 Ų149139.6 Ų139.665%0.64872%0.715SS**  72.9137.9121.7-166.9-161.7174.4-174.40119.1
655S25.2Very low26.7Very low78 Ų78136.3 Ų136.355%0.54572%0.718SS.*  trans69.2152.3156.543.40000119.4
656T24.6Very low26.7Very low84 Ų84134.4 Ų134.452%0.51572%0.724SS.*  cis-168.4155-28.9-62.50000107.1L697T656-L697 WeakPolarHBondContact OG1-CD2 3.41Å
657K32.1Very low26.7Very low163 Ų163132 Ų13271%0.70973%0.726SS**  trans82.7130.5155.3-146.3177.9-178.2-99.70118.7
658E28.1Very low26.6Very low133 Ų133130.5 Ų130.562%0.62173%0.731SS**  155.2140109-155.576.7-92.900114.9
659E27.8Very low26.8Very low147 Ų147129.8 Ų129.869%0.68774%0.737SS**  trans27.8111162.4-76-164.287.600127
660A30.7Very low27.1Very low81 Ų81126.9 Ų126.967%0.66973%0.731SS**  57.5135.2100.900000124.6
661R29.3Very low27.3Very low208 Ų208126 Ų12679%0.78573%0.73SS**  176.2137.8103.7-95173.6-174.5-168.93.7115.8
662R29.8Very low27.6Very low201 Ų201132 Ų13276%0.75874%0.739SS**  trans60.8140.4141.5-77.8-173.2178.7-171.90.1119.7
663R30.5Very low27.9Very low182 Ų182128.1 Ų128.169%0.68774%0.744SS**  cis170.7149.222.8160.8-179.5-125.7167.37112.8
664D26.4Very low28.2Very low143 Ų143133.4 Ų133.477%0.76576%0.757SS**  trans47.3141.8154.5-48.9-18.1000124.6
665G23.9Very low28.3Very low86 Ų86130.2 Ų130.289%0.88777%0.767SS**  trans157.2119.916400000114.9
666G25.8Very low28.7Very low88 Ų88138.1 Ų138.191%0.90779%0.785SS**  trans-118.8-170.3176.600000113.2
667G28Very low29.7Very low78 Ų78138.2 Ų138.280%0.80479%0.787SS**  cis164.7152.6-4.600000113.1
668G29.7Very low29.5Very low85 Ų85138 Ų13888%0.87679%0.793SS**  trans75.5167.1175.300000116.5
669D28.9Very low29.5Very low176 Ų176142.5 Ų142.594%0.94181%0.805SS**  cis-165.8169.3-23-179.730.6000108.4
670G30.7Very low29.5Very low58 Ų58141.9 Ų141.960%0.59881%0.806SS**  trans126.480.2151.600000121.8
671S27.9Very low29.3Very low106 Ų106144.6 Ų144.674%0.74181%0.808SS**  trans46.5122.6137.5-72.90000125.5
672K30.6Very low29.2Very low211 Ų211141.5 Ų141.592%0.91781%0.807SS**  trans65.2125.2131.6-64.7176.4179.7170.20122.3
673G27.4Very low29Very low83 Ų83138.7 Ų138.786%0.85681%0.806SS**  trans-162152.7158.400000113.3
674R28.5Very low28.8Very low261 Ų261135.1 Ų135.199%0.98581%0.808SS**  trans-103.5145.1172.8-85.1-175.3168.6-152.60.3110.2
675G28.8Very low28.8Very low83 Ų83133.8 Ų133.886%0.85681%0.81SS**  trans153.8125.6157.900000116.4
676R32.2Very low29.2Very low243 Ų243136.8 Ų136.892%0.91781%0.806SS**  trans-94.5166.1160.8-102.8-168.8153.5-154-3.6108.5
677P46.8Very low29.9Very low87 Ų87137.7 Ų137.757%0.56580%0.796SS**  cis-141.5-168.6-29.640.8-22.8000113.7
678D28.1Very low29.8Very low157 Ų157143.7 Ų143.784%0.8480%0.796SS**  trans72.6133.7152.7-56.5-24.5000120.8
679R27.7Very low29.8Very low229 Ų229146.2 Ų146.286%0.86479%0.789SS**  trans-147.9136.7-168.6-159.2-179-174.8-171.81.2110.4
680L27.8Very low29.6Very low134 Ų134143.7 Ų143.770%0.70278%0.78SS**  trans17.5124147-52.4174.1000118.1
681L26.3Very low29.6Very low138 Ų138145.7 Ų145.772%0.72379%0.785SS**  67.1125.466.3-66.2-178.5000115.1
682L26.9Very low29.6Very low143 Ų143146.4 Ų146.475%0.74979%0.79SS**  trans46.1154.3134.5-53.8173.1000121.2
683L26.6Very low29.5Very low142 Ų142139.1 Ų139.174%0.74378%0.775SS**  cis178.9146-34.5-141.3146.4000105.8
684S25Very low29.6Very low106 Ų106140.8 Ų140.874%0.74177%0.773SS**  trans68.5156.8172.4-59.40000116.6
685S27.5Very low29.6Very low115 Ų115136.3 Ų136.380%0.80477%0.768SS**  cis-159.8173.2-430.30000112
686D31.1Very low29.6Very low149 Ų149138.9 Ų138.980%0.79776%0.758SS**  trans-39165168.3-92.6-54000117.5
687P41.2Very low29.6Very low107 Ų107130.9 Ų130.970%0.69573%0.733SS**  cis-154.3171.841.642.5-20.3000122
688Y26.9Very low28.8Very low204 Ų204133.2 Ų133.280%0.874%0.739SS**  trans49.2135.4143.4-87.8-89.1000126.6
689D28.5Very low28.6Very low138 Ų138129.7 Ų129.774%0.73873%0.727SS**  trans42.6134.8147.5-85.7-30.2000124.6
690T26Very low28.4Very low124 Ų124125.7 Ų125.776%0.76172%0.721SS**  173.9117.6111.6-72.10000114.9
691S30.1Very low28.2Very low99 Ų99126.9 Ų126.969%0.69272%0.721SS**  trans69.9149.5150.881.90000123.5
692S27.9Very low28.1Very low121 Ų121126.7 Ų126.785%0.84673%0.728SS**  trans50.6152.5139.8-61.30000122.2
693G29.1Very low28Very low59 Ų59124.8 Ų124.861%0.60872%0.722SS**  cis137.6118.1-0.200000111.3
694S28.9Very low28Very low117 Ų117124.7 Ų124.782%0.81873%0.727SS**  trans67.6163.2-166.185.50000113.3
695L29Very low28Very low168 Ų168123.5 Ų123.588%0.8872%0.724SS**  cis-135.6178.217.2-117.6174.5000112.6
696Q28.3Very low27.7Very low136 Ų136126.5 Ų126.564%0.63673%0.726SS**  trans-102.8152.3180-112.1-170.621.600113.7
697L33.1Very low27.3Very low75 Ų75125.9 Ų125.939%0.39373%0.727SS.*  trans69.2120158-90.284.4000121T656T656-L697 WeakPolarHBondContact OG1-CD2 3.41Å
698I28.7Very low26.5Very low136 Ų136128.4 Ų128.470%0.69774%0.735SS**  44.7119.4105.3-61.8176.7000115.1
699S23.4Very low26.2Very low83 Ų83125 Ų12558%0.5874%0.74SS**  cis-172.2168.349.361.50000114.6
700I24.9Very low26.2Very low146 Ų146123.1 Ų123.175%0.74974%0.737SS**  trans67.3130.6145-74.8162.1000116.1
701K22.5Very low26Very low159 Ų159126 Ų12669%0.69174%0.741SS**  cis-160142.9-0.9-116.3175.9-169.8177.20108.5V703K701-V703 HydrophobicContact CD-CB 4.36Å; K701-V703 HydrophobicContact CD-CG2 4.23Å; K701-V703 HydrophobicContact CG-CG2 4.05Å
702P24.2Very low26.5Very low134 Ų134126.7 Ų126.787%0.8774%0.744SS**  trans-105.690.7150.833.4-24.6000109.5
703V26.2Very low26.3Very low103 Ų103125 Ų12562%0.62474%0.737SS**  trans-144.193.6173.9-176.30000111.1K701K701-V703 HydrophobicContact CD-CB 4.36Å; K701-V703 HydrophobicContact CD-CG2 4.23Å; K701-V703 HydrophobicContact CG-CG2 4.05Å
704T25.1Very low26.1Very low139 Ų139127.5 Ų127.585%0.85375%0.745SS**  trans171.3152.5132.5360000107.9
705A25.7Very low26Very low82 Ų82127.4 Ų127.468%0.67875%0.745SS**  cis-128.9140.1-7.600000107.2
706Q21.6Very low25.8Very low178 Ų178125.5 Ų125.583%0.83274%0.736SS**  49.6110.273.6-79.8-171.9-13.900114.7
707T23.1Very low26Very low135 Ų135129 Ų12983%0.82874%0.743SS**  trans-139108.7134.251.80000109.2
708N22.9Very low25.8Very low161 Ų161130.4 Ų130.486%0.86176%0.759SS**  trans-171.184.5140.9-102.7-0.5000109.1
709C21.3Very low26Very low133 Ų133132.5 Ų132.590%0.89977%0.766SS**  trans-156.9141.9151.5-112.20000107.9
710S27.7Very low26.3Very low98 Ų98135.1 Ų135.169%0.68577%0.773SS**  trans-87.8153.5172.649.70000111.1
711H23.2Very low26.8Very low183 Ų183134.3 Ų134.385%0.84778%0.781SS**  trans73.2157.3171.9-66.4-74.5000117.8
712P40.1Very low27.7Very low114 Ų114131.1 Ų131.174%0.7478%0.784SS**  trans-124.5179.3-149.843.4-30.5000116.2
713A23.2Very low28.8Very low86 Ų86132 Ų13271%0.71178%0.78SS**  trans81118.9152.800000120.3
714S25.3Very low29.8Very low112 Ų112134.5 Ų134.578%0.78379%0.788SS**  trans43.3129142.559.30000119.9
715S26.9Very low30.7Very low115 Ų115134.7 Ų134.780%0.80478%0.784SS**  177.5159.859.2-163.30000113.2
716D24.3Very low32Very low128 Ų128133 Ų13368%0.68478%0.775SS**  trans57-178.1160.3-135.3-16.8000120.8
717R32.9Very low33.7Very low208 Ų208132.3 Ų132.379%0.78577%0.771SS**  trans-82.5160.9-149.1-77.9155173117.2-14.7119.8
718S27.8Very low35.1Very low106 Ų106131.2 Ų131.274%0.74176%0.764SS**  96121.9127.449.70000123.6
719Q33.5Very low36.4Very low179 Ų179128.7 Ų128.784%0.83675%0.751SS**  trans72.2165.7140.9-67.6-161.213.200121.5
720D30.3Very low38.2Very low138 Ų138128.5 Ų128.574%0.73874%0.74SS**  trans64.2128175.7-65.2-21.1000122.1
721S35.8Very low39.5Very low129 Ų129126.7 Ų126.790%0.90273%0.731SS**  trans-163.965.9171.1-73.90000109.3
722A41.5Very low41.2Very low93 Ų93123.4 Ų123.477%0.76972%0.719SS**  trans-116.820.4-174.300000114.2
723I46.5Very low42.2Very low152 Ų152124.2 Ų124.278%0.77971%0.711SS**  trans-124124.2179.7-54.791.1000109
724I47.6Very low44.2Very low155 Ų155126.4 Ų126.480%0.79571%0.707SS**SBendtrans165.6-26157.7-92.9158.6000110.9G726I724-G726 PolarHBondContact O-N 3.48Å
725N44.2Very low45.7Very low144 Ų144128.9 Ų128.977%0.7770%0.703SS**SBendtrans-75.115.4175.7-79.6-26.7000115N729N725-N729 PolarHBondContact O-ND2 3.18Å
726G53.1Low48Very low46 Ų46126.2 Ų126.247%0.47469%0.685SS.*SBendtrans-82.4-50.5-17200000114.8I724 N729 L730I724-G726 PolarHBondContact O-N 3.48Å; G726-N729 WeakPolarHBondContact O-CB 3.5Å; G726-N729 PolarHBondContact O-N 2.74Å; G726-L730 PolarHBondContact O-N 3.38Å; G726-L730 VanDerWaalsContact O-N 3.08Å
727E56.3Low50.5Low164 Ų164124 Ų12477%0.76667%0.673SS**Hα-helixtrans-75-39.1-160.8-60.2-178.4147.100113.7N729 L730 A731E727-N729 VanDerWaalsContact C-N 3.26Å; E727-N729 PolarHBondContact O-N 3.24Å; E727-L730 WeakPolarHBondContact O-CA 3.43Å; E727-L730 VanDerWaalsContact O-CB 3.3Å; E727-L730 WeakPolarHBondContact O-CB 3.29Å; E727-L730 PolarHBondContact O-N 2.9Å; E727-A731 PolarHBondContact O-N 3.31Å; E727-A731 VanDerWaalsContact O-N 3.1Å
728V51.9Low52.6Low112 Ų112118.6 Ų118.668%0.67966%0.658SS**Hα-helixtrans-64.4-33.9175.6-177.30000111.3L732V728-L732 HydrophobicContact CG1-CD1 4.43Å; V728-L732 PolarHBondContact O-N 2.86Å
729N51.1Low55.1Low108 Ų108120.1 Ų120.158%0.57865%0.654SS**Hα-helixtrans-68.5-35.6171.6-82-63.8000111.8N725 G726 E727 K733N725-N729 PolarHBondContact O-ND2 3.18Å; G726-N729 WeakPolarHBondContact O-CB 3.5Å; G726-N729 PolarHBondContact O-N 2.74Å; E727-N729 VanDerWaalsContact C-N 3.26Å; E727-N729 PolarHBondContact O-N 3.24Å; N729-K733 WeakPolarHBondContact O-CB 3.29Å; N729-K733 PolarHBondContact O-N 2.84Å
730L58.1Low57.1Low128 Ų128117.4 Ų117.467%0.6764%0.641SS**Hα-helixtrans-63.6-46.8178.2-153.576.3000111.7G726 E727 K733 Q734G726-L730 PolarHBondContact O-N 3.38Å; G726-L730 VanDerWaalsContact O-N 3.08Å; E727-L730 WeakPolarHBondContact O-CA 3.43Å; E727-L730 VanDerWaalsContact O-CB 3.3Å; E727-L730 WeakPolarHBondContact O-CB 3.29Å; E727-L730 PolarHBondContact O-N 2.9Å; L730-K733 PolarHBondContact O-N 2.96Å; L730-Q734 WeakPolarHBondContact O-CB 3.4Å; L730-Q734 PolarHBondContact O-N 3.37Å
731A56.7Low59.8Low61 Ų61118 Ų11850%0.50463%0.634SS.*Hα-helixtrans-66.2-42.9-179.900000113.2E727 K735E727-A731 PolarHBondContact O-N 3.31Å; E727-A731 VanDerWaalsContact O-N 3.1Å; A731-K735 PolarHBondContact O-N 3.4Å
732L57.9Low62Low114 Ų114119.6 Ų119.660%0.59762%0.62SS**Hα-helixtrans-66.4-38.8175.1-74.3172.1000111.7V728 K735 S736V728-L732 HydrophobicContact CG1-CD1 4.43Å; V728-L732 PolarHBondContact O-N 2.86Å; L732-K735 PolarHBondContact O-N 2.84Å; L732-S736 PolarHBondContact O-N 2.76Å
733K61Low63.6Low131 Ų131118.9 Ų118.957%0.5760%0.604SS**Hα-helixtrans-64-46.6176-171.2168.4-176.6179.70111.6N729 L730 K735 S736 D737N729-K733 WeakPolarHBondContact O-CB 3.29Å; N729-K733 PolarHBondContact O-N 2.84Å; L730-K733 PolarHBondContact O-N 2.96Å; K733-K735 VanDerWaalsContact C-N 3.29Å; K733-K735 PolarHBondContact O-N 3.04Å; K733-S736 CarbonylContact O-C 3.58Å; K733-S736 PolarHBondContact O-N 3.16Å; K733-S736 PolarHBondContact O-OG 3.1Å; K733-D737 PolarHBondContact O-N 3.3Å
734Q64.6Low65.3Low132 Ų132117.6 Ų117.662%0.61759%0.592SS**Hα-helixtrans-55.3-42.4175.4-170.8-179.315.700112.2L730 D737 I738L730-Q734 WeakPolarHBondContact O-CB 3.4Å; L730-Q734 PolarHBondContact O-N 3.37Å; Q734-D737 PolarHBondContact O-N 3.18Å; Q734-I738 HydrophobicContact CG-CD1 4.3Å; Q734-I738 WeakPolarHBondContact O-CD1 3.43Å; Q734-I738 VanDerWaalsContact O-CG1 3.28Å; Q734-I738 WeakPolarHBondContact O-CG1 3.19Å; Q734-I738 PolarHBondContact O-N 3.29Å; Q734-I738 VanDerWaalsContact O-N 3.1Å
735K58.1Low66.2Low163 Ų163114.6 Ų114.671%0.70958%0.577SS**Hα-helixtrans-64.4-41.3175.6-165.4175.6-178.6-1790112.2A731 L732 K733 E739A731-K735 PolarHBondContact O-N 3.4Å; L732-K735 PolarHBondContact O-N 2.84Å; K733-K735 VanDerWaalsContact C-N 3.29Å; K733-K735 PolarHBondContact O-N 3.04Å; K735-E739 PolarHBondContact O-N 3.36Å
736S73.9Confident67.5Low60 Ų60115.6 Ų115.642%0.4257%0.57SS.*Hα-helixtrans-69.2-37.5176.874.10000113.4L732 K733 E739 H740L732-S736 PolarHBondContact O-N 2.76Å; K733-S736 CarbonylContact O-C 3.58Å; K733-S736 PolarHBondContact O-N 3.16Å; K733-S736 PolarHBondContact O-OG 3.1Å; S736-E739 PolarHBondContact O-N 2.89Å; S736-H740 VanDerWaalsContact O-CB 3.3Å; S736-H740 WeakPolarHBondContact O-CB 3.42Å; S736-H740 PolarHBondContact O-N 3.25Å
737D78.1Confident67.7Low80 Ų80119.2 Ų119.243%0.42858%0.578SS.*Hα-helixtrans-71-32.7178.9-86.6-45.1000111.8K733 Q734 Y741K733-D737 PolarHBondContact O-N 3.3Å; Q734-D737 PolarHBondContact O-N 3.18Å; D737-Y741 WeakPolarHBondContact O-CB 3.21Å; D737-Y741 PolarHBondContact O-N 3.08Å
738I77.2Confident67.7Low95 Ų95118.7 Ų118.749%0.48757%0.574SS.*Hα-helixtrans-63.8-43.6170.9-70.5164.8000111Q734 Y741 R742Q734-I738 HydrophobicContact CG-CD1 4.3Å; Q734-I738 WeakPolarHBondContact O-CD1 3.43Å; Q734-I738 VanDerWaalsContact O-CG1 3.28Å; Q734-I738 WeakPolarHBondContact O-CG1 3.19Å; Q734-I738 PolarHBondContact O-N 3.29Å; Q734-I738 VanDerWaalsContact O-N 3.1Å; I738-Y741 PolarHBondContact O-N 3.25Å; I738-R742 WeakPolarHBondContact O-CG 2.94Å; I738-R742 PolarHBondContact O-N 2.9Å
739E78.9Confident68Low139 Ų139117.3 Ų117.365%0.6557%0.574SS**Hα-helixtrans-68.7-43.2177.9-173.8159.9-12900111.8K735 S736 Y741 R742 N743K735-E739 PolarHBondContact O-N 3.36Å; S736-E739 PolarHBondContact O-N 2.89Å; E739-Y741 VanDerWaalsContact C-N 3.34Å; E739-Y741 PolarHBondContact O-N 3.35Å; E739-R742 PolarHBondContact O-N 3.41Å; E739-N743 PolarHBondContact O-N 3.01Å
740H77.3Confident68.1Low122 Ų122121.7 Ų121.757%0.56559%0.588SS**Hα-helixtrans-63.3-37.3174.3-172.8-129.4000111.9S736 N743 K744S736-H740 VanDerWaalsContact O-CB 3.3Å; S736-H740 WeakPolarHBondContact O-CB 3.42Å; S736-H740 PolarHBondContact O-N 3.25Å; H740-N743 PolarHBondContact O-N 2.91Å; H740-K744 WeakPolarHBondContact O-CB 3.43Å; H740-K744 PolarHBondContact O-N 2.95Å
741Y86.7Confident67.5Low150 Ų150124.5 Ų124.559%0.58859%0.594SS**Hα-helixtrans-65-42.4172.9-178.1-97.6000112.1D737 I738 E739 K744 L745D737-Y741 WeakPolarHBondContact O-CB 3.21Å; D737-Y741 PolarHBondContact O-N 3.08Å; I738-Y741 PolarHBondContact O-N 3.25Å; E739-Y741 VanDerWaalsContact C-N 3.34Å; E739-Y741 PolarHBondContact O-N 3.35Å; Y741-K744 CarbonylContact O-C 3.49Å; Y741-K744 WeakPolarHBondContact O-CB 3.39Å; Y741-K744 PolarHBondContact O-N 2.94Å; Y741-L745 HydrophobicContact CD1-CD1 3.94Å; Y741-L745 HydrophobicContact CD2-CD1 4.48Å; Y741-L745 HydrophobicContact CE1-CD1 3.48Å; Y741-L745 VanDerWaalsContact CE1-CD1 3.48Å; Y741-L745 HydrophobicContact CE2-CD1 4.09Å; Y741-L745 HydrophobicContact CG-CD1 4.41Å; Y741-L745 PolarHBondContact O-N 3.44Å
742R82.1Confident67Low162 Ų162131 Ų13161%0.61161%0.611SS**Hα-helixtrans-66.4-36.6175.7-69179.389.8155.56.7112.1I738 E739 L745 R746I738-R742 WeakPolarHBondContact O-CG 2.94Å; I738-R742 PolarHBondContact O-N 2.9Å; E739-R742 PolarHBondContact O-N 3.41Å; R742-L745 PolarHBondContact O-N 3.22Å; R742-R746 PolarHBondContact O-N 3.5Å; R742-R746 VanDerWaalsContact O-N 3.09Å
743N75.5Confident66.1Low79 Ų79128.2 Ų128.242%0.42261%0.61SS.*Hα-helixtrans-69.7-36.1170-88-14.4000112.5E739 H740 L745 R746 L747E739-N743 PolarHBondContact O-N 3.01Å; H740-N743 PolarHBondContact O-N 2.91Å; N743-L745 VanDerWaalsContact C-N 3.32Å; N743-L745 PolarHBondContact O-N 3.42Å; N743-R746 PolarHBondContact O-N 3.48Å; N743-R746 VanDerWaalsContact O-N 3.16Å; N743-L747 VanDerWaalsContact O-CD1 3.3Å; N743-L747 WeakPolarHBondContact O-CD1 3.36Å; N743-L747 PolarHBondContact O-N 3.29Å
744K80.6Confident65.3Low125 Ų125132.4 Ų132.454%0.54362%0.624SS.*Hα-helixtrans-64.3-34173.4-167.7174-174.9176.40112.1H740 Y741 K748H740-K744 WeakPolarHBondContact O-CB 3.43Å; H740-K744 PolarHBondContact O-N 2.95Å; Y741-K744 CarbonylContact O-C 3.49Å; Y741-K744 WeakPolarHBondContact O-CB 3.39Å; Y741-K744 PolarHBondContact O-N 2.94Å; K744-K748 WeakPolarHBondContact O-CB 3.42Å; K744-K748 WeakPolarHBondContact O-CG 3.3Å; K744-K748 PolarHBondContact O-N 3.49Å
745L68.1Low63.5Low91 Ų91136.1 Ų136.148%0.47663%0.634SS.*Hα-helixtrans-65.9-46.8168.2-10481.6000111.9Y741 R742 N743 L747 K748 A749Y741-L745 HydrophobicContact CD1-CD1 3.94Å; Y741-L745 HydrophobicContact CD2-CD1 4.48Å; Y741-L745 HydrophobicContact CE1-CD1 3.48Å; Y741-L745 VanDerWaalsContact CE1-CD1 3.48Å; Y741-L745 HydrophobicContact CE2-CD1 4.09Å; Y741-L745 HydrophobicContact CG-CD1 4.41Å; Y741-L745 PolarHBondContact O-N 3.44Å; R742-L745 PolarHBondContact O-N 3.22Å; N743-L745 VanDerWaalsContact C-N 3.32Å; N743-L745 PolarHBondContact O-N 3.42Å; L745-L747 VanDerWaalsContact C-N 3.33Å; L745-L747 PolarHBondContact O-N 3.11Å; L745-K748 PolarHBondContact O-N 2.9Å; L745-K748 VanDerWaalsContact O-N 3.15Å; L745-A749 PolarHBondContact O-N 3.4Å
746R69.6Low62.8Low165 Ų165134 Ų13462%0.62363%0.631SS**Hα-helixtrans-61-40.1176.9-73.7-180173.4126.2-3.7112.3R742 N743 A749 K750R742-R746 PolarHBondContact O-N 3.5Å; R742-R746 VanDerWaalsContact O-N 3.09Å; N743-R746 PolarHBondContact O-N 3.48Å; N743-R746 VanDerWaalsContact O-N 3.16Å; R746-A749 PolarHBondContact O-N 2.87Å; R746-K750 PolarHBondContact O-N 2.86Å
747L57.5Low60.5Low123 Ų123140.8 Ų140.864%0.64465%0.653SS**Hα-helixtrans-70.6-33.6173.5-91.374.6000112.6N743 L745 K750 K751N743-L747 VanDerWaalsContact O-CD1 3.3Å; N743-L747 WeakPolarHBondContact O-CD1 3.36Å; N743-L747 PolarHBondContact O-N 3.29Å; L745-L747 VanDerWaalsContact C-N 3.33Å; L745-L747 PolarHBondContact O-N 3.11Å; L747-K750 CarbonylContact O-C 3.57Å; L747-K750 PolarHBondContact O-N 3.05Å; L747-K751 WeakPolarHBondContact O-CB 3.32Å; L747-K751 PolarHBondContact O-N 3.48Å
748K57.2Low59.3Low153 Ų153142 Ų14267%0.66567%0.665SS**Hα-helixtrans-65.3-41.5170.8-84.4-170.7167.4-171.30112K744 L745 K751 K752K744-K748 WeakPolarHBondContact O-CB 3.42Å; K744-K748 WeakPolarHBondContact O-CG 3.3Å; K744-K748 PolarHBondContact O-N 3.49Å; L745-K748 PolarHBondContact O-N 2.9Å; L745-K748 VanDerWaalsContact O-N 3.15Å; K748-K751 CarbonylContact O-C 3.58Å; K748-K751 PolarHBondContact O-N 2.9Å; K748-K751 VanDerWaalsContact O-N 3.07Å; K748-K752 PolarHBondContact O-N 3.07Å
749A57.2Low56.9Low83 Ų83142.7 Ų142.769%0.68668%0.679SS**Hα-helixtrans-62.9-41.5173.600000111.7L745 R746 K751L745-A749 PolarHBondContact O-N 3.4Å; R746-A749 PolarHBondContact O-N 2.87Å; A749-K751 PolarHBondContact O-N 3.41Å
750K53.7Low54.6Low199 Ų199141.7 Ų141.787%0.86568%0.682SS**THydrogen-bonded Turntrans-76-1.1172-116.8-178.1179.4-176.10114.8R746 L747R746-K750 PolarHBondContact O-N 2.86Å; L747-K750 CarbonylContact O-C 3.57Å; L747-K750 PolarHBondContact O-N 3.05Å
751K46.9Very low52.2Low187 Ų187143.4 Ų143.481%0.81370%0.695SS**THydrogen-bonded Turntrans-129.743.9176.6-158.3-175.6177.1177.10111.8L747 K748 A749L747-K751 WeakPolarHBondContact O-CB 3.32Å; L747-K751 PolarHBondContact O-N 3.48Å; K748-K751 CarbonylContact O-C 3.58Å; K748-K751 PolarHBondContact O-N 2.9Å; K748-K751 VanDerWaalsContact O-N 3.07Å; A749-K751 PolarHBondContact O-N 3.41Å
752K45Very low49.4Very low197 Ų197139.6 Ų139.686%0.85770%0.702SS**  trans-135.441.3156-151.4-172.4179.7-1720112.2K748K748-K752 PolarHBondContact O-N 3.07Å
753G39.3Very low46.8Very low56 Ų56137.7 Ų137.758%0.57771%0.713SS**SBendtrans-100.6120.1158.200000109.3
754Y45Very low44.6Very low220 Ų220138.4 Ų138.486%0.86372%0.724SS**  trans38123.8155.6-60.6-91.4000120.9
755Y26Very low42.2Very low209 Ų209138.5 Ų138.582%0.8274%0.74SS**  trans-142.4117.3146.4-96.3-89.7000105.5
756D43Very low40.5Very low120 Ų120137.7 Ų137.764%0.64276%0.755SS**  72.4116.558.8-74.8-12.1000113.6
757F25Very low38.8Very low201 Ų201133.8 Ų133.888%0.88277%0.766SS**  trans-172.8162159-78.7-46.6000109.9
758P54Low37.6Very low107 Ų107131.5 Ų131.570%0.69577%0.771SS**  cis-142.1169.2-41.340-24.8000113.6
759S26.3Very low36.6Very low109 Ų109135.7 Ų135.776%0.76278%0.783SS**  trans160.7146.3139.745.70000111.2
760T30.3Very low35.6Very low117 Ų117135.6 Ų135.672%0.71878%0.782SS**  cis-154.1155.9-19.212.90000109.4
761N28Very low35Very low159 Ų159132.5 Ų132.585%0.8578%0.775SS**  trans52.5120.6152.9-60.4-4.4000121.1
762G27.9Very low34.4Very low70 Ų70129.6 Ų129.672%0.72277%0.772SS**  131.283.6114.100000119.1
763S26.8Very low33.9Very low122 Ų122127.8 Ų127.885%0.85377%0.767SS**  trans64.3158.1152.9-68.10000118.9
764S29.1Very low33.5Very low94 Ų94134.1 Ų134.166%0.65778%0.778SS**  cis-164.2145.6-25.850.70000109.9
765S31.2Very low33Very low126 Ų126129.8 Ų129.888%0.88177%0.766SS**  trans60155.2167.669.80000118.1
766G32.5Very low33.1Very low75 Ų75130 Ų13077%0.77377%0.765SS**  cis163.5132.5-9.800000112.4
767G33Very low32.6Very low83 Ų83128.3 Ų128.386%0.85676%0.763SS**  trans88136-178.500000113.1
768G33.2Very low32.6Very low74 Ų74124.2 Ų124.276%0.76375%0.75SS**  cis108.2160.14.400000113.1
769R35.5Very low31.5Very low242 Ų242129 Ų12991%0.91376%0.756SS**  cis-162.8147.86.2-123.3-177.4-179.4-178.30.5112.3
770A37.1Very low31.4Very low81 Ų81132.4 Ų132.467%0.66976%0.759SS**  73.2175.9129.400000118.6
771L40.3Very low31.1Very low134 Ų134136.8 Ų136.870%0.70276%0.763SS**  cis-144.9174.416.8-160.739.7000108.5
772V34.8Very low31.6Very low126 Ų126134.4 Ų134.476%0.76476%0.756SS**  cis-149-162.938.2-1580000112.9
773H33.5Very low31.7Very low159 Ų159137.6 Ų137.674%0.73676%0.756SS**  trans-101.6-166-173.8-61.2-68.6000112.6
774K32Very low31.6Very low189 Ų189139.2 Ų139.282%0.82275%0.75SS**  cis-171.9159.129.8-173.7176.9-178.3-178.60110.7
775Q33.2Very low32.4Very low129 Ų129139.5 Ų139.560%0.60375%0.749SS**  cis-179.5140.7-31.2176.7-178.713.500110.2
776R28.6Very low32.4Very low214 Ų214140 Ų14081%0.80874%0.742SS**  trans66.5153.7172-75.5176.2166.6157.6-5.7117.2
777S32.1Very low32.7Very low84 Ų84142.5 Ų142.559%0.58774%0.738SS**  cis87.2143.821.3114.60000114.9
778D26.1Very low32.8Very low115 Ų115144.5 Ų144.562%0.61573%0.725SS**  cis-157.1-166.84.2-92.6-44.5000110.5
779Y30.4Very low32.9Very low207 Ų207150.7 Ų150.781%0.81273%0.725SS**  trans80.8148.8160.7-53.8-69.1000118
780E24.6Very low32.5Very low180 Ų180142.6 Ų142.684%0.84172%0.718SS**  cis-162.8179.1-10172.9157.8-148.400111
781R24.6Very low32.3Very low209 Ų209143.7 Ų143.779%0.78972%0.72SS**  trans-127.4144.5-171.8-171.4-143.1-68.4173-3.5112.3
782P37.2Very low31.8Very low110 Ų110143.4 Ų143.471%0.71472%0.724SS**  -132.2138.6124.16.216.8000113.1
783L30.1Very low31.5Very low136 Ų136145.9 Ų145.971%0.71273%0.725SS**  74.9123.792.2-61.2173.2000113.3
784E25.8Very low31.2Very low156 Ų156143.3 Ų143.373%0.72972%0.72SS**  69.8147.563.4-72.6-68.5117.100112.6
785P44.8Very low30.9Very low100 Ų100144 Ų14465%0.64972%0.723SS**  cis-150.5-178.734.847-27.6000119.9
786D31.6Very low30.6Very low136 Ų136142.3 Ų142.373%0.72773%0.726SS**  trans67.8153.7140.9-69-1.5000124.5
787D38Very low30.6Very low129 Ų129139.8 Ų139.869%0.6972%0.723SS**  cis-173.2-180-37.1-155.7-2.3000110.9
788E35.5Very low30.3Very low124 Ų124146 Ų14658%0.57973%0.734SS**  trans76.8150.3149.1-62.6-118.3125.700120.4
789R35.2Very low30.3Very low204 Ų204150.6 Ų150.677%0.7774%0.742SS**  cis-171.2136.1-15.1162.6-175.9-77.8-151.96.7112.9
790G28.3Very low30.1Very low73 Ų73147.4 Ų147.475%0.75374%0.735SS**  trans75.1170.9146.300000121.3
791S30.9Very low30.1Very low104 Ų104143.2 Ų143.273%0.72773%0.725SS**  cis-171.5159.1-18.969.30000115
792T30.9Very low30.4Very low128 Ų128141.3 Ų141.379%0.78573%0.725SS**  trans67.7164.2159.365.80000119.6
793F27.6Very low30.1Very low178 Ų178142 Ų14278%0.78173%0.727SS**  cis-165.1130.630.4-167.1-117.2000116
794V28.4Very low29.9Very low104 Ų104138.5 Ų138.563%0.6372%0.724SS**  trans64.3140.2137.4167.90000126.5
795K26.1Very low30Very low203 Ų203139 Ų13988%0.88373%0.726SS**  trans108.2155.1146.5-112.1169.2-176.11720121.4
796S26.4Very low29.1Very low95 Ų95141.6 Ų141.666%0.66473%0.731SS**  trans-156.4153.2-17165.20000111.8
797H28.5Very low28.8Very low161 Ų161138.8 Ų138.875%0.74573%0.727SS**  trans179.1151.8136.5-106.849.1000116.7
798R24.8Very low28.1Very low215 Ų215142.5 Ų142.581%0.81173%0.733SS**  trans61116151-74.8175.1-179.4-173.1-0.3122.9
799R27.4Very low27.5Very low210 Ų210147.6 Ų147.679%0.79275%0.747SS**  3.9155.1122.7-34.8179.5-167.31682.7117.6
800H25.4Very low27Very low141 Ų141142.7 Ų142.765%0.65374%0.744SS**  cis-170.4154.747.9-123-68.6000113.6
801S25.7Very low26.8Very low92 Ų92148.7 Ų148.764%0.64374%0.744SS**  trans69.5153.7136.674.30000121.4
802Q29.6Very low26.5Very low169 Ų169150.7 Ų150.779%0.7974%0.742SS**  cis-169.9162.8-15.2-114.6177.7-24.900112.5
803V31Very low26.3Very low124 Ų124148.9 Ų148.975%0.75274%0.735SS**  trans62.1137.1143.5170.30000120.1
804G27.2Very low26.2Very low63 Ų63148.2 Ų148.265%0.64974%0.738SS**  cis154.7175.3-1300000116
805Q26.8Very low26Very low166 Ų166147.6 Ų147.678%0.77674%0.739SS**  trans66.9150.7155.8-61.4-161.42.500118.7
806M25.5Very low26Very low154 Ų154143.2 Ų143.276%0.75973%0.734SS**  cis-160.5164.3-12.2-121.6-174.1-173.500112.8
807A26.2Very low26.6Very low78 Ų78143.7 Ų143.765%0.64573%0.734SS**  trans74.7125.5140.600000124.4
808Y23Very low26.4Very low206 Ų206141.9 Ų141.981%0.80874%0.74SS**  trans80.7138.3130.4-92.8-115.8000123.8
809R23.4Very low27Very low231 Ų231137.3 Ų137.387%0.87274%0.738SS**  trans67.3162154.9-86.3179-174.8-174.92.9116.9
810S23.7Very low27.1Very low101 Ų101131.4 Ų131.471%0.70674%0.743SS**  cis-155.3178.2-21.1-163.10000111
811R25.1Very low27.3Very low200 Ų200127.7 Ų127.776%0.75574%0.742SS**  trans-52.3165.6168.1-61.2155.2142.9-102.3-0.2115.5
812Q24.3Very low27.8Very low145 Ų145129.6 Ų129.668%0.67875%0.75SS**  trans74.1105.7141-81.9161.9-71.100120.2
813S26.2Very low28.1Very low91 Ų91129.1 Ų129.164%0.63675%0.748SS**  40143.6114.5660000121.9
814L26.4Very low28.3Very low164 Ų164130.7 Ų130.786%0.85975%0.749SS**  trans78.7149167.9-52.4177.9000114.5
815S23.6Very low28.6Very low91 Ų91133.7 Ų133.764%0.63675%0.75SS**  cis-174141.7-13.444.80000112.9
816S25.3Very low29Very low111 Ų111132.5 Ų132.578%0.77675%0.748SS**  trans62.4178.7153.179.90000117.7
817P39.2Very low29.7Very low104 Ų104133 Ų13368%0.67575%0.753SS**  cis-128.3178.6-12.441.7-27.6000114.3
818S25.4Very low30.1Very low123 Ų123135 Ų13586%0.8676%0.757SS**  trans-148.2125.6142.1-80.60000108.4
819P36.9Very low30.5Very low120 Ų120133.7 Ų133.778%0.77976%0.761SS**  trans-107.7150.8-16438.7-33.8000114.8
820G29.3Very low30.9Very low86 Ų86132.7 Ų132.789%0.88776%0.757SS**  trans69.2139.1152.900000117.4
821G28.8Very low31.3Very low63 Ų63136.4 Ų136.465%0.64976%0.763SS**  cis176.1-171.8-0.400000109.8
822T36.1Very low31.7Very low131 Ų131137.1 Ų137.180%0.80477%0.766SS**  trans65.4146.3-175.276.10000116.2
823E36.6Very low32.8Very low159 Ų159134.8 Ų134.874%0.74376%0.763SS**  cis-164.1159.8-28.255-156.1151.700110.5
824M35.9Very low33.3Very low158 Ų158141.5 Ų141.578%0.77878%0.775SS**  trans63152.8168.1-53.3-57-77.800118.6
825D33.5Very low33.6Very low126 Ų126144.7 Ų144.767%0.67478%0.775SS**  cis-153.7176.1-45.1-155.7-7.9000108.5
826L34Very low33.9Very low141 Ų141144 Ų14474%0.73878%0.783SS**  trans-67.5161.8177.1-61.6165.2000111.1
827L41.3Very low34.4Very low163 Ų163145 Ų14585%0.85378%0.778SS**  -163.2151.178.5-89.1171.1000114.4
828V34.8Very low34.2Very low122 Ų122151.6 Ų151.674%0.73979%0.789SS**  trans-105.8127.2168.1172.50000109.8R830V828-R830 HydrophobicContact CG1-CB 4.38Å
829M30.9Very low34.6Very low178 Ų178153 Ų15388%0.87779%0.787SS**  trans-124.8118.3152.8-65.5-176.468.800106.3
830R32Very low34.5Very low210 Ų210153.1 Ų153.179%0.79279%0.791SS**  cis72.392.830.7-151.9-170-153.5151.36.3113.5V828V828-R830 HydrophobicContact CG1-CB 4.38Å
831E32.4Very low34.6Very low178 Ų178152.3 Ų152.383%0.83278%0.782SS**  trans-148.9165.5147.5-161.457.4-87.400109
832R32.7Very low34.6Very low215 Ų215160.1 Ų160.181%0.81179%0.794SS**  trans-128.8-151.2-177.1-78.7-177.9160.5150.2-7.8111.3
833P47Very low34.5Very low97 Ų97160.5 Ų160.563%0.6379%0.791SS**  -131.8165.3-86.339-24.4000116.1
834R36.3Very low34.2Very low231 Ų231159 Ų15987%0.87279%0.793SS**  145.4112.9129.9-81.4158.9174.9167.3-1.3117.1
835R33.2Very low34Very low232 Ų232159.8 Ų159.888%0.87580%0.795SS**  59110.3118.7-154.2-177.6-153.3-150.86.1119.9
836G29.7Very low34.6Very low77 Ų77159 Ų15979%0.79480%0.797SS**  trans-146.67.1178.300000119.8
837I35.7Very low34.3Very low131 Ų131160.4 Ų160.467%0.67280%0.799SS**  trans36.4105.1163.6-41.9177.6000119.3
838R35.3Very low33.9Very low242 Ų242159.8 Ų159.891%0.91380%0.796SS**  -166.1145.4116-106.9171.5-179.6159.41.6111.7
839N33.6Very low33.5Very low154 Ų154161.1 Ų161.182%0.82480%0.797SS**  trans-93.3172.5-177.6-45.2-25.2000109.3
840S36.4Very low33.5Very low121 Ų121160.8 Ų160.885%0.84679%0.794SS**  cis-159.216114.544.80000110
841G31.5Very low33.6Very low69 Ų69159 Ų15971%0.71179%0.794SS**  cis-179.6146.8-2.500000113.6
842Y28.5Very low33.6Very low228 Ų228156.1 Ų156.189%0.89479%0.789SS**  trans12.5117.1167.8-74.2-84.6000123.2
843D33.3Very low33.3Very low138 Ų138153 Ų15374%0.73879%0.789SS**  trans-64.4149.1138.6165.938.4000112.5
844T31.1Very low32.4Very low127 Ų127153.5 Ų153.578%0.77979%0.789SS**  trans-178.7129.2144.136.10000111.6
845E30.2Very low32.1Very low176 Ų176149.6 Ų149.682%0.82279%0.786SS**  trans-88.1-163.3155.2-62.8-164.4137.100110.9
846P46.3Very low31.9Very low110 Ų110145.7 Ų145.771%0.71478%0.777SS**  -124.4-167.2-82.438.1-21.9000114.6
847E28.9Very low31.8Very low170 Ų170149 Ų14979%0.79478%0.776SS**  trans86.6102.4168.5-54.3-152140.400120.7
848L31.6Very low31.3Very low149 Ų149150.4 Ų150.478%0.7878%0.784SS**  45.8124.2121.7-60.4163.9000121.4
849I26.6Very low30.8Very low151 Ų151141.9 Ų141.977%0.77477%0.771SS**  174.5150116.3-92165000114.5
850E30.7Very low30.9Very low171 Ų171140.3 Ų140.380%0.79977%0.769SS**  trans26.8118.1162.5-68.5170.4113.700126
851E34.8Very low30.4Very low173 Ų173144.1 Ų144.181%0.80877%0.765SS**  14.8157.2125.3-49.6-168.6165.600126.2
852T31.9Very low30Very low116 Ų116150.1 Ų150.171%0.71277%0.766SS**  trans107.7109.4144.270.80000123.5
853N26Very low29.8Very low151 Ų151148.8 Ų148.881%0.80776%0.761SS**  trans-174.6115.6135.6-118-90.5000108
854V29.3Very low29.3Very low107 Ų107148.9 Ų148.965%0.64876%0.759SS**  85.1105.750.4-174.70000114.4
855D28.8Very low29Very low148 Ų148152.9 Ų152.979%0.79176%0.761SS**  trans167.6155139.1-104.83.1000111.4
856H30.1Very low28.8Very low151 Ų151147.6 Ų147.670%0.69975%0.753SS**  cis-160.5-178.4-44.6-139.3-93.8000109.8
857L26.4Very low27.8Very low146 Ų146153.8 Ų153.876%0.76476%0.763SS**  trans77.3135.6176.4-47.2178.1000115.6
858L25.3Very low27.7Very low161 Ų161148.4 Ų148.484%0.84375%0.753SS**  cis-150.3145.3-3.7-134.6153.7000109.1
859G25.3Very low27.6Very low63 Ų63149.2 Ų149.265%0.64976%0.757SS**  trans-85.7-157.9-174.100000115.7
860P36.3Very low27.7Very low120 Ų120150.1 Ų150.178%0.77976%0.755SS**  cis-148.7-179.416.344.3-24.7000119.3
861R24.7Very low27.5Very low202 Ų202145.3 Ų145.376%0.76275%0.752SS**  trans83.8124.8142.2-93.2-174.4175-172.31.7123.2
862R23.1Very low27.2Very low194 Ų194144.4 Ų144.473%0.73275%0.747SS**  trans72.5150.8141.5-64.2-163.3176.4-175.9-1.6118.8
863Y24.5Very low26.9Very low201 Ų201143.2 Ų143.279%0.78874%0.743SS**  cis-168.5151-31.5-125.8-47.8000109.7
864M23.6Very low27.2Very low139 Ų139143.8 Ų143.869%0.68574%0.741SS**  trans72.4127.8152.4-65.3-166.883.300122.8
865Y24.1Very low27.3Very low212 Ų212145.5 Ų145.583%0.83175%0.752SS**  trans39.6140.2137.5-65.6-108.7000121.6
866G26.6Very low27.5Very low64 Ų64143.6 Ų143.666%0.6675%0.75SS**  cis140.3163-5.200000114.3
867R25Very low27.8Very low241 Ų241142.8 Ų142.891%0.90976%0.756SS**  trans70.2144176.2-162.6-171-58.3-100.62.7114.7
868G27.3Very low28Very low57 Ų57144.1 Ų144.159%0.58876%0.763SS**  cis147.7153.8-9.100000113.1
869L28.1Very low28.5Very low165 Ų165142.4 Ų142.486%0.86477%0.765SS**  trans68.3166.9179.7-72.670.5000116.1
870K30.2Very low29.2Very low171 Ų171145 Ų14574%0.74377%0.773SS**  cis-178.3128.7-46.1175.8172178.4-179.70106.7H872K870-H872 WeakPolarHBondContact CE-NE2 3.25Å
871G26.7Very low29.7Very low70 Ų70147.6 Ų147.672%0.72277%0.774SS**  trans-162.1138.8174.200000111.9
872H27.7Very low31.5Very low154 Ų154142 Ų14271%0.71376%0.764SS**  trans-93.9166.5171-57.7-102.4000107.5K870K870-H872 WeakPolarHBondContact CE-NE2 3.25Å
873S25Very low33.7Very low90 Ų90135.3 Ų135.363%0.62975%0.748SS**  cis-157.5164.836-98.80000114.1
874E33.9Very low35.6Very low163 Ų163132.1 Ų132.176%0.76274%0.742SS**  trans38.2113.4143.6-64141.3-111.500121.1
875T30.8Very low37.7Very low144 Ų144129.6 Ų129.688%0.88373%0.732SS**  -172.6132105.320.30000111.5
876S32.6Very low40.2Very low107 Ų107124.6 Ų124.675%0.74872%0.716SS**  trans-93.2172.6165.9-58.40000109.4
877T36.4Very low42.8Very low135 Ų135125.1 Ų125.183%0.82871%0.707SS**  -172124.785.527.30000112.4
878L30.3Very low45.3Very low174 Ų174119.9 Ų119.991%0.91169%0.687SS**SBendtrans-144.5133.9142.5-81.3-176.3000107.6
879S36.7Very low47.5Very low125 Ų125123.6 Ų123.687%0.87469%0.689SS**  trans60.9104.4170.3-172.80000118.1
880S38.9Very low50Low116 Ų116121.7 Ų121.781%0.81168%0.675SS**  trans-135.9140.9143.453.20000108.9
881Q46.9Very low52.3Low175 Ų175118.3 Ų118.382%0.81866%0.664SS**PPolyproline II helixtrans-71.7153164.5-68.2165.1-86.700108.5S883Q881-S883 PolarHBondContact O-N 3.38Å
882P62.4Low54.6Low84 Ų84120.2 Ų120.255%0.54565%0.653SS.*PPolyproline II helixtrans-59.7137.2169.727.7-34.6000109.2E886 V887P882-E886 HydrophobicContact CB-CB 4.48Å; P882-V887 HydrophobicContact CB-CG2 4.07Å; P882-V887 HydrophobicContact CG-CG2 4.03Å
883S69.1Low57.2Low55 Ų55118 Ų11839%0.38565%0.646SS.*PPolyproline II helixtrans-65.7157.8177.165.60000111.2Q881 D885 E886 V887Q881-S883 PolarHBondContact O-N 3.38Å; S883-D885 PolarHBondContact O-N 3.05Å; S883-D885 VanDerWaalsContact O-N 3.12Å; S883-E886 VanDerWaalsContact CB-OE2 3.25Å; S883-E886 WeakPolarHBondContact CB-OE2 3.3Å; S883-E886 PolarHBondContact N-OE2 3.36Å; S883-E886 PolarHBondContact O-N 3.17Å; S883-E886 VanDerWaalsContact O-N 3.17Å; S883-E886 VanDerWaalsContact OG-CG 3.3Å; S883-E886 WeakPolarHBondContact OG-CG 3.31Å; S883-E886 PolarHBondContact OG-N 2.87Å; S883-E886 PolarHBondContact OG-OE2 2.97Å; S883-V887 WeakPolarHBondContact O-CG2 3.49Å; S883-V887 PolarHBondContact O-N 2.81Å
884I65.9Low59.8Low133 Ų133118.7 Ų118.768%0.68264%0.642SS**Hα-helixtrans-62.9-23.9-176.8-149165.3000112.2R888I884-R888 WeakPolarHBondContact O-CB 3.46Å; I884-R888 PolarHBondContact O-N 3.41Å; I884-R888 VanDerWaalsContact O-N 3.09Å
885D66.8Low61.9Low87 Ų87114.8 Ų114.847%0.46563%0.626SS.*Hα-helixtrans-88.8-30.1177.8-63-49.4000113.1S883 V887 R888 Q889S883-D885 PolarHBondContact O-N 3.05Å; S883-D885 VanDerWaalsContact O-N 3.12Å; D885-V887 VanDerWaalsContact C-N 3.34Å; D885-R888 PolarHBondContact O-N 3.28Å; D885-R888 IonicContact OD1-CZ 2.69Å; D885-R888 VanDerWaalsContact OD1-CZ 3.25Å; D885-R888 IonicContact OD1-NE 2.95Å; D885-R888 PolarHBondContact OD1-NE 3.35Å; D885-R888 IonicContact OD1-NH2 2.68Å; D885-R888 PolarHBondContact OD1-NH2 3.08Å; D885-Q889 WeakPolarHBondContact O-CB 3.3Å; D885-Q889 PolarHBondContact O-N 3.25Å
886E77.8Confident63.6Low106 Ų106114.1 Ų114.150%0.49561%0.613SS.*Hα-helixtrans-61.2-44164.9-76.4163.5120.900110.7P882 S883 R888 Q889 Q890P882-E886 HydrophobicContact CB-CB 4.48Å; S883-E886 VanDerWaalsContact CB-OE2 3.25Å; S883-E886 WeakPolarHBondContact CB-OE2 3.3Å; S883-E886 PolarHBondContact N-OE2 3.36Å; S883-E886 PolarHBondContact O-N 3.17Å; S883-E886 VanDerWaalsContact O-N 3.17Å; S883-E886 VanDerWaalsContact OG-CG 3.3Å; S883-E886 WeakPolarHBondContact OG-CG 3.31Å; S883-E886 PolarHBondContact OG-N 2.87Å; S883-E886 PolarHBondContact OG-OE2 2.97Å; E886-R888 VanDerWaalsContact C-N 3.35Å; E886-R888 PolarHBondContact O-N 3.5Å; E886-Q889 PolarHBondContact O-N 3.24Å; E886-Q890 VanDerWaalsContact O-CB 3.25Å; E886-Q890 WeakPolarHBondContact O-CB 3.44Å; E886-Q890 PolarHBondContact O-N 3.21Å
887V80.9Confident65.6Low76 Ų76114.3 Ų114.346%0.46160%0.602SS.*Hα-helixtrans-62.9-41.21751770000111.1P882 S883 D885 M891P882-V887 HydrophobicContact CB-CG2 4.07Å; P882-V887 HydrophobicContact CG-CG2 4.03Å; S883-V887 WeakPolarHBondContact O-CG2 3.49Å; S883-V887 PolarHBondContact O-N 2.81Å; D885-V887 VanDerWaalsContact C-N 3.34Å; V887-M891 WeakPolarHBondContact O-CB 3.28Å; V887-M891 PolarHBondContact O-N 3.18Å
888R76.1Confident67Low131 Ų131110.3 Ų110.349%0.49458%0.583SS.*Hα-helixtrans-63.5-42.9175.7-160.3-162.6-50-107.34.5111.7I884 D885 E886 M891 H892I884-R888 WeakPolarHBondContact O-CB 3.46Å; I884-R888 PolarHBondContact O-N 3.41Å; I884-R888 VanDerWaalsContact O-N 3.09Å; D885-R888 PolarHBondContact O-N 3.28Å; D885-R888 IonicContact OD1-CZ 2.69Å; D885-R888 VanDerWaalsContact OD1-CZ 3.25Å; D885-R888 IonicContact OD1-NE 2.95Å; D885-R888 PolarHBondContact OD1-NE 3.35Å; D885-R888 IonicContact OD1-NH2 2.68Å; D885-R888 PolarHBondContact OD1-NH2 3.08Å; E886-R888 VanDerWaalsContact C-N 3.35Å; E886-R888 PolarHBondContact O-N 3.5Å; R888-M891 PolarHBondContact O-N 3.4Å; R888-H892 PolarHBondContact O-CD2 3.5Å; R888-H892 PolarHBondContact O-N 3.38Å
889Q74.5Confident68.3Low134 Ų134109.1 Ų109.163%0.62657%0.571SS**Hα-helixtrans-71.7-36.7-179-164.7167.238.600111.7D885 E886 H892 L893D885-Q889 WeakPolarHBondContact O-CB 3.3Å; D885-Q889 PolarHBondContact O-N 3.25Å; E886-Q889 PolarHBondContact O-N 3.24Å; Q889-H892 PolarHBondContact O-N 2.86Å; Q889-L893 PolarHBondContact O-N 3.45Å
890Q79.6Confident69.2Low125 Ų125106.9 Ų106.958%0.58456%0.555SS**Hα-helixtrans-69.4-34.8172.6-169.5171.3400112.2E886 L893 L894E886-Q890 VanDerWaalsContact O-CB 3.25Å; E886-Q890 WeakPolarHBondContact O-CB 3.44Å; E886-Q890 PolarHBondContact O-N 3.21Å; Q890-L893 PolarHBondContact O-N 2.8Å; Q890-L894 WeakPolarHBondContact O-CG 3.38Å; Q890-L894 PolarHBondContact O-N 2.98Å
891M80.1Confident69.9Low101 Ų101107.8 Ų107.850%0.49855%0.55SS.*Hα-helixtrans-65.5-41.8169.4-176.8-170.973.900111.7V887 R888 L894 L895V887-M891 WeakPolarHBondContact O-CB 3.28Å; V887-M891 PolarHBondContact O-N 3.18Å; R888-M891 PolarHBondContact O-N 3.4Å; M891-L894 PolarHBondContact O-N 3.26Å; M891-L895 HydrophobicContact CG-CD1 4.21Å; M891-L895 WeakPolarHBondContact O-CG 3.11Å; M891-L895 PolarHBondContact O-N 3.49Å
892H74.6Confident70.1Confident109 Ų109103.5 Ų103.551%0.50555%0.545SS..Hα-helixtrans-62.4-43.1173.4-83.7-67.9000112R888 Q889 L894 L895 E896R888-H892 PolarHBondContact O-CD2 3.5Å; R888-H892 PolarHBondContact O-N 3.38Å; Q889-H892 PolarHBondContact O-N 2.86Å; H892-L894 PolarHBondContact O-N 3.32Å; H892-L895 PolarHBondContact O-N 2.92Å; H892-E896 WeakPolarHBondContact O-CB 3.46Å; H892-E896 PolarHBondContact O-N 3.17Å
893L82.9Confident69.5Low109 Ų109104.4 Ų104.457%0.57155%0.553SS**Hα-helixtrans-59.4-44.5174.2-116.195.5000112.2Q889 Q890 L895 E896 E897Q889-L893 PolarHBondContact O-N 3.45Å; Q890-L893 PolarHBondContact O-N 2.8Å; L893-L895 VanDerWaalsContact C-N 3.32Å; L893-L895 PolarHBondContact O-N 3.22Å; L893-E896 PolarHBondContact O-N 3.17Å; L893-E897 VanDerWaalsContact O-CB 3.3Å; L893-E897 WeakPolarHBondContact O-CB 3.48Å; L893-E897 PolarHBondContact O-N 2.93Å
894L78.9Confident68Low104 Ų104105 Ų10555%0.54557%0.567SS.*Hα-helixtrans-66-33178.4-79.6165.2000112.7Q890 M891 H892 A898Q890-L894 WeakPolarHBondContact O-CG 3.38Å; Q890-L894 PolarHBondContact O-N 2.98Å; M891-L894 PolarHBondContact O-N 3.26Å; H892-L894 PolarHBondContact O-N 3.32Å; L894-A898 WeakPolarHBondContact O-CB 3.38Å; L894-A898 PolarHBondContact O-N 3.48Å
895L78.6Confident66.3Low80 Ų80102.3 Ų102.342%0.41957%0.572SS.*Hα-helixtrans-72.1-42172.9-71.2167.4000111.4M891 H892 L893 A898 F899M891-L895 HydrophobicContact CG-CD1 4.21Å; M891-L895 WeakPolarHBondContact O-CG 3.11Å; M891-L895 PolarHBondContact O-N 3.49Å; H892-L895 PolarHBondContact O-N 2.92Å; L893-L895 VanDerWaalsContact C-N 3.32Å; L893-L895 PolarHBondContact O-N 3.22Å; L895-A898 PolarHBondContact O-N 3.42Å; L895-F899 WeakPolarHBondContact O-CD2 3.43Å; L895-F899 PolarHBondContact O-N 3.3Å
896E66.1Low64.6Low130 Ų130106.9 Ų106.961%0.60759%0.591SS**Hα-helixtrans-65.3-39.1176.9-170.2166.8-153.200111.8H892 L893 S900H892-E896 WeakPolarHBondContact O-CB 3.46Å; H892-E896 PolarHBondContact O-N 3.17Å; L893-E896 PolarHBondContact O-N 3.17Å; E896-S900 VanDerWaalsContact O-CB 3.28Å; E896-S900 WeakPolarHBondContact O-CB 3.28Å; E896-S900 PolarHBondContact O-N 3.28Å; E896-S900 PolarHBondContact O-OG 3Å
897E74.5Confident62.1Low111 Ų111107.1 Ų107.152%0.51961%0.605SS.*Hα-helixtrans-64.9-45.1170.3-174174.5-165.900111.3L893 F899 S900 L901L893-E897 VanDerWaalsContact O-CB 3.3Å; L893-E897 WeakPolarHBondContact O-CB 3.48Å; L893-E897 PolarHBondContact O-N 2.93Å; E897-F899 PolarHBondContact O-N 3.37Å; E897-S900 PolarHBondContact O-N 2.94Å; E897-L901 HydrophobicContact CG-CD1 4.01Å; E897-L901 HydrophobicContact CG-CG 4.49Å; E897-L901 WeakPolarHBondContact O-CB 3.42Å; E897-L901 VanDerWaalsContact O-CG 3.28Å; E897-L901 WeakPolarHBondContact O-CG 3.5Å; E897-L901 PolarHBondContact O-N 3.01Å
898A66Low59.8Low52 Ų52110.8 Ų110.843%0.4363%0.627SS.*Hα-helixtrans-63.4-41177.500000113L894 L895 L901 A902L894-A898 WeakPolarHBondContact O-CB 3.38Å; L894-A898 PolarHBondContact O-N 3.48Å; L895-A898 PolarHBondContact O-N 3.42Å; A898-L901 PolarHBondContact O-N 3.23Å; A898-A902 WeakPolarHBondContact O-CB 3.32Å; A898-A902 PolarHBondContact O-N 2.75Å
899F56.7Low57.5Low149 Ų149110.4 Ų110.465%0.65465%0.645SS**Hα-helixtrans-71.4-32174.6-73.7-60.5000112.4L895 E897 A902 S903L895-F899 WeakPolarHBondContact O-CD2 3.43Å; L895-F899 PolarHBondContact O-N 3.3Å; E897-F899 PolarHBondContact O-N 3.37Å; F899-A902 PolarHBondContact O-N 2.76Å; F899-S903 VanDerWaalsContact O-CB 3.32Å; F899-S903 WeakPolarHBondContact O-CB 3.33Å; F899-S903 PolarHBondContact O-N 3.31Å
900S55.7Low55.2Low77 Ų77106.9 Ų106.954%0.53865%0.645SS.*Hα-helixtrans-66-42171.2-610000112E896 E897 A902 S903E896-S900 VanDerWaalsContact O-CB 3.28Å; E896-S900 WeakPolarHBondContact O-CB 3.28Å; E896-S900 PolarHBondContact O-N 3.28Å; E896-S900 PolarHBondContact O-OG 3Å; E897-S900 PolarHBondContact O-N 2.94Å; S900-A902 VanDerWaalsContact C-N 3.32Å; S900-A902 PolarHBondContact O-N 3.01Å; S900-S903 CarbonylContact O-C 3.55Å; S900-S903 PolarHBondContact O-N 2.99Å; S900-S903 VanDerWaalsContact O-N 3.14Å
901L54.2Low52.8Low136 Ų136112.2 Ų112.271%0.71266%0.659SS**Hα-helixtrans-68.4-28.7175.1-71.4169.2000112.8E897 A898 S903E897-L901 HydrophobicContact CG-CD1 4.01Å; E897-L901 HydrophobicContact CG-CG 4.49Å; E897-L901 WeakPolarHBondContact O-CB 3.42Å; E897-L901 VanDerWaalsContact O-CG 3.28Å; E897-L901 WeakPolarHBondContact O-CG 3.5Å; E897-L901 PolarHBondContact O-N 3.01Å; A898-L901 PolarHBondContact O-N 3.23Å; L901-S903 VanDerWaalsContact C-N 3.29Å
902A50.3Low50.4Low85 Ų85115.7 Ų115.770%0.70267%0.674SS**Hα-helixtrans-76.3-13.1171.700000113.8A898 F899 S900A898-A902 WeakPolarHBondContact O-CB 3.32Å; A898-A902 PolarHBondContact O-N 2.75Å; F899-A902 PolarHBondContact O-N 2.76Å; S900-A902 VanDerWaalsContact C-N 3.32Å; S900-A902 PolarHBondContact O-N 3.01Å
903S51.4Low48.5Very low102 Ų102113.4 Ų113.471%0.71368%0.68SS**SBendtrans-124.347.6-172.5-174.90000112.7F899 S900 L901F899-S903 VanDerWaalsContact O-CB 3.32Å; F899-S903 WeakPolarHBondContact O-CB 3.33Å; F899-S903 PolarHBondContact O-N 3.31Å; S900-S903 CarbonylContact O-C 3.55Å; S900-S903 PolarHBondContact O-N 2.99Å; S900-S903 VanDerWaalsContact O-N 3.14Å; L901-S903 VanDerWaalsContact C-N 3.29Å
904G35.7Very low46.1Very low67 Ų67115.5 Ų115.569%0.69169%0.686SS**  trans-128.531.9-168.900000116.9
905G32.1Very low43.9Very low77 Ų77117.4 Ų117.479%0.79469%0.692SS**  trans-80.9115.2178.500000114.1
906Q30.4Very low41.6Very low183 Ų183121.3 Ų121.386%0.85571%0.708SS**  trans70.5108.9169.5-59.8-171-800119.3
907S25.6Very low40Very low112 Ų112123.3 Ų123.378%0.78372%0.718SS**  48.9111.9124-53.50000121.4
908T32Very low39Very low152 Ų152123.5 Ų123.593%0.93373%0.729SS**  -159.9150.5113.5210000114
909S28.8Very low38.4Very low123 Ų123126.2 Ų126.286%0.8674%0.742SS**  trans-39138.4176.7-172.60000119.7
910G26.4Very low38.3Very low61 Ų61124.6 Ų124.663%0.62975%0.746SS**  115.5109103.400000121.8
911R28.9Very low37Very low236 Ų236128.9 Ų128.989%0.89176%0.763SS**  trans66.9136.7154-64.8-175.5172.9-173.3-2.7116.8
912H28.9Very low36.1Very low175 Ų175130 Ų13081%0.8176%0.764SS**  62.5135.755.9-65.221.1000113
913G35.2Very low35Very low60 Ų60137 Ų13762%0.61978%0.775SS**  cis152.9-168.32.300000111.4
914H32.7Very low34Very low153 Ų153136.7 Ų136.771%0.70877%0.772SS**  trans72.1172.6170-37.6-78.9000116.3
915H32.9Very low34.5Very low144 Ų144139.2 Ų139.267%0.66778%0.776SS**  cis-144.2179.912.2-105.9-49.4000110.2
916Q29.3Very low34.2Very low162 Ų162140 Ų14076%0.75778%0.775SS**  cis-154.7173.320.6-143.1148.538.700114.4
917Q32.7Very low35.3Very low173 Ų173136.9 Ų136.981%0.80877%0.771SS**  trans-120.4-115.4-179.1-68.1161.3-102.400111.4
918P53.3Low36.2Very low115 Ų115136.7 Ų136.775%0.74777%0.767SS**  cis-117.6-86.4620.56.9000118.2
919P52.8Low36Very low109 Ų109137 Ų13771%0.70876%0.762SS**  trans-129.1-146.9-158.746.3-24.7000112
920P56.3Low36.9Very low115 Ų115136.1 Ų136.175%0.74775%0.754SS**  cis-133.2171.6-19.841.5-25.7000115.9
921D28.1Very low37Very low166 Ų166143.1 Ų143.189%0.88876%0.762SS**  -163164.4120.5-147-13.9000110.3
922Q33.8Very low37.3Very low159 Ų159135.7 Ų135.774%0.74375%0.751SS**  trans-152153.4-150.4-161.7169.530.200118.1
923Y27.7Very low37.5Very low234 Ų234133.2 Ų133.292%0.91874%0.744SS**  trans-145.1163.1155.1-121.2-88.8000112.5
924S30Very low37.6Very low95 Ų95135.8 Ų135.866%0.66475%0.748SS**  trans-146.6-165.1-168.5-134.10000110
925P46.7Very low37.5Very low119 Ų119135 Ų13577%0.77375%0.753SS**  cis-144.9-179.625.943.4-22.3000119.4
926A26Very low37.4Very low93 Ų93133.2 Ų133.277%0.76976%0.757SS**  trans99.9146.8153.300000120
927P53.7Low37.3Very low119 Ų119130.1 Ų130.177%0.77375%0.753SS**  trans-127.8-160.8-151.841.5-20000112.8
928P44.1Very low37Very low107 Ų107128.1 Ų128.170%0.69575%0.753SS**  cis-146162.98.746-26.1000120.8
929L28.6Very low36.6Very low159 Ų159128.8 Ų128.883%0.83276%0.757SS**  28.5165.9127.1-59.8175.7000123.4
930P47.8Very low35.3Very low105 Ų105127 Ų12768%0.68276%0.758SS**  cis-144.4-157.2-29.439.4-18.3000115.2
931Y28.6Very low34Very low207 Ų207127.6 Ų127.681%0.81276%0.76SS**  trans82.7133162-103.1-124.2000117.2
932A34.4Very low33.8Very low80 Ų80127.7 Ų127.766%0.66176%0.757SS**  cis-163.9169.93.300000110.2
933D33.3Very low33.5Very low124 Ų124124.4 Ų124.466%0.66375%0.752SS**  cis-155-125-6.8-157.770.7000112.5
934V36.6Very low33.4Very low114 Ų114119.4 Ų119.469%0.69175%0.751SS**  trans-128.5152.6-167.81710000111.4
935V32.1Very low33.1Very low135 Ų135118.7 Ų118.782%0.81876%0.758SS**  -175.6174.597.9-122.90000109.1
936S29.4Very low32.1Very low107 Ų107125 Ų12575%0.74877%0.767SS**  cis-156.6-172.211.6-147.80000114.2
937S27.9Very low32Very low97 Ų97124.5 Ų124.568%0.67877%0.771SS**  trans-90152.7178.749.40000115
938V27.1Very low30.7Very low132 Ų132122.5 Ų122.580%0.877%0.772SS**  cis77.314440.6172.30000112.3
939P43.6Very low29.8Very low128 Ų128125 Ų12583%0.83178%0.779SS**  cis-131.1-178.89.237.5-18000117.9
940G25.6Very low29.5Very low71 Ų71124.3 Ų124.373%0.73277%0.771SS**  trans-177145.5162.400000114.5
941T29.3Very low28.3Very low128 Ų128129.2 Ų129.279%0.78578%0.776SS**  trans-157.6168.9-175.358.60000114.8
942M24.7Very low28.3Very low168 Ų168124.4 Ų124.483%0.82877%0.768SS**  trans70.7148.6164.4-60.8-60.1101.700118.5
943S26Very low28.2Very low91 Ų91126.1 Ų126.164%0.63677%0.773SS**  cis-167.2157.6-17.356.70000113.2
944S25.4Very low27.9Very low128 Ų128124.5 Ų124.590%0.89577%0.771SS**  trans66.9167.7156.381.30000120.6
945G24.5Very low27.4Very low80 Ų80130 Ų13083%0.82578%0.781SS**  trans131.5109162.900000116.7
946R26.2Very low27.3Very low251 Ų251127 Ų12795%0.94778%0.777SS**  trans-102.9119.9-179.3169.9-159.4-87.5-113.30.3112.6
947G24.2Very low27.4Very low83 Ų83126.5 Ų126.586%0.85678%0.779SS**  trans78.1155.8143.800000119.4
948G24.4Very low27.4Very low78 Ų78128.3 Ų128.380%0.80478%0.782SS**  trans159.8152.9176.100000112.2
949L26.8Very low27.4Very low160 Ų160127.9 Ų127.984%0.83877%0.774SS**  trans-131.8140.5-178.2-85.9166.4000112.2
950H21.9Very low26.7Very low143 Ų143132.3 Ų132.366%0.66278%0.775SS**  trans75.9133150.1-86.1-65000124.1
951W22.5Very low26.8Very low208 Ų208137.6 Ų137.679%0.78878%0.781SS**  trans72.295.9146.9-62.8124.6000123.4
952V29.1Very low26.6Very low107 Ų107136.9 Ų136.965%0.64878%0.78SS**  47.2130117.8175.60000121.8
953P32.5Very low26.7Very low116 Ų116134.3 Ų134.375%0.75378%0.779SS**  -119.6148.2116.6-2.523.8000112.3
954S25.5Very low27Very low89 Ų89137.8 Ų137.862%0.62279%0.789SS**  72139.164.6-45.10000113.2
955Y27.6Very low27.5Very low230 Ų230137.3 Ų137.390%0.90278%0.783SS**  cis-136.5176.89.6-82.5-89.4000109.1
956G29.4Very low27.5Very low72 Ų72142.7 Ų142.774%0.74278%0.784SS**  cis136.1161.25.400000110.6
957A30.6Very low28.1Very low96 Ų96136.1 Ų136.179%0.79377%0.773SS**  cis-117.9-98-20.900000109.9
958D28.9Very low28.1Very low136 Ų136136.3 Ų136.373%0.72777%0.767SS**  cis-166.7158.9-20.1-144.718.2000106.5
959I27.6Very low28.2Very low123 Ų123142.4 Ų142.463%0.63177%0.772SS**  cis-140.5-169.95.9-17.978.7000109.6
960Y28.2Very low28Very low221 Ų221145.4 Ų145.487%0.86777%0.772SS**  trans82.2141.6168.6-68.1-63000118.9
961Q27.1Very low28.3Very low181 Ų181147.8 Ų147.885%0.84678%0.78SS**  trans-157.3176.5-139.4-153.817622.700112.4
962C24.8Very low28.4Very low113 Ų113143.4 Ų143.476%0.76478%0.777SS**  trans84.4136.9173.4-54.80000116.4
963S27.4Very low28.3Very low115 Ų115147.6 Ų147.680%0.80479%0.789SS**  cis-166.1155.1-22.537.10000111.1
964L31.8Very low28.1Very low164 Ų164149.2 Ų149.286%0.85979%0.791SS**  trans-71.8173.2175.9-75.1163000112.6
965P35.6Very low28.5Very low117 Ų117150.7 Ų150.776%0.7680%0.798SS**  cis-148-173.524.943.6-21.4000120
966K25.3Very low28.5Very low194 Ų194147.6 Ų147.684%0.84379%0.792SS**  trans-28.3171.7157.4-80.5174.8-178.9175.50119
967P38.7Very low28.3Very low113 Ų113152.1 Ų152.173%0.73480%0.796SS**  cis-143.8175.9-17.337.9-18000118
968A23.7Very low28.2Very low86 Ų86151.5 Ų151.571%0.71179%0.791SS**  trans71.3173.9142.600000122.6
969F26.6Very low28.1Very low207 Ų207152.4 Ų152.491%0.90880%0.801SS**  trans86158.4172.4-73-82.7000120.8
970R24.3Very low28.1Very low223 Ų223149.9 Ų149.984%0.84281%0.805SS**  trans-100.7158.3-178-56.5176.1176.1-174.3-1.8109.5
971F26.3Very low28Very low193 Ų193145 Ų14585%0.84680%0.804SS**  -179.7125.5118.9-94.6-65.2000111.4
972T24.9Very low28.5Very low115 Ų115142.4 Ų142.471%0.70680%0.802SS**  trans2.2134.9140.257.90000120.1
973Q27.2Very low29.4Very low195 Ų195142.1 Ų142.191%0.91180%0.799SS**  -157118.2107.5-114.5171.9-11.200113.6
974L28.4Very low29.8Very low150 Ų150142.6 Ų142.679%0.78580%0.8SS**  trans-77.8158.1151.5-98.3164.8000107.4
975P33.5Very low29.7Very low120 Ų120142.4 Ų142.478%0.77980%0.799SS**  -147.7148.460.538.7-18.9000118.5
976E28.1Very low30.2Very low166 Ų166142.2 Ų142.278%0.77680%0.797SS**  trans-90.5124.1134.6174.7-179.8-145.800107.4
977M26.3Very low30.9Very low167 Ų167138.5 Ų138.582%0.82379%0.793SS**  trans179.2158.8148.6-102.6-70.610200112.7
978A27.9Very low30.4Very low83 Ų83143.8 Ų143.869%0.68680%0.798SS**  trans-83174.2-17100000115.1
979V26.6Very low30.7Very low154 Ų154145.6 Ų145.693%0.93380%0.801SS**  -177.9139.2127.51450000109.6
980G26.7Very low30.7Very low71 Ų71139 Ų13973%0.73279%0.791SS**  trans168.969177.700000116.2
981S26.2Very low31.4Very low119 Ų119134.3 Ų134.383%0.83279%0.789SS**  trans-144144.5168.6-57.70000109.9
982P38Very low32.2Very low126 Ų126129.7 Ų129.782%0.81878%0.778SS**  -144.9169.9112.829-8.9000115.3
983P44.5Very low32.4Very low106 Ų106132.7 Ų132.769%0.68878%0.784SS**  trans-102.4-173.9-172.141.8-37000114.3
984P35.5Very low32.4Very low126 Ų126134 Ų13482%0.81878%0.781SS**  -138.6-171.6100.638.8-25.5000115.3
985L29.1Very low32.3Very low160 Ų160132.6 Ų132.684%0.83878%0.778SS**  trans-109.7-152-161.5-58.6165.6000114
986P46.6Very low31.8Very low112 Ų112131.3 Ų131.373%0.72777%0.772SS**  -120.9-167-119.639.4-17.8000113.8
987P39.2Very low31.7Very low116 Ų116130.2 Ų130.275%0.75377%0.771SS**  -156.2155.890.940.4-21.2000119.1
988R29.5Very low31.7Very low224 Ų224132 Ų13285%0.84577%0.768SS**  trans66.3137.8142.7-93.2-172.6157.492.5-0.9124.2
989T29Very low31.6Very low125 Ų125137.7 Ų137.777%0.76777%0.772SS**  trans60.7111.6145.151.40000122
990G26.5Very low31.4Very low68 Ų68135.3 Ų135.370%0.70176%0.762SS**  trans-99.7-149.8137.800000109.9
991P39.1Very low31.4Very low125 Ų125138 Ų13881%0.81277%0.765SS**  cis-122.4-140.2-10.735.1-11.8000108.8
992P42.7Very low31.5Very low95 Ų95136.8 Ų136.862%0.61776%0.757SS**  cis-145.4172.1-13.743.5-24.4000119.3
993H29.2Very low31Very low178 Ų178137 Ų13782%0.82475%0.751SS**  trans63.7157.4133.4-70.5-30.2000127.5
994R27.3Very low30.3Very low224 Ų224139.9 Ų139.985%0.84576%0.759SS**  trans78.7127.7159.4-70.1-168.3174178.8-3.2117.7
995T26.5Very low30Very low119 Ų119137 Ų13773%0.7375%0.753SS**  68.4141.752.974.50000113.7
996S22.8Very low30.4Very low93 Ų93135.8 Ų135.865%0.6576%0.755SS**  cis-179.1-176.5-8.649.30000109.5
997L26.3Very low29.6Very low144 Ų144140.5 Ų140.575%0.75476%0.764SS**  trans76134.2164-61.3161000116.3
998R26.5Very low29Very low203 Ų203138.8 Ų138.877%0.76677%0.767SS**  70.1133.671.9-127.4-172-176.9-170.22.9111.7
999R24.8Very low29Very low203 Ų203140.5 Ų140.577%0.76677%0.774SS**  cis-139.3162.219.8-74.8174.9174.1112.7-6.1109
1000S23.9Very low28.8Very low104 Ų104139.8 Ų139.873%0.72777%0.774SS**  cis78.5142.738.9-173.60000115.6
1001T26.3Very low28.7Very low127 Ų127141.8 Ų141.878%0.77978%0.777SS**  trans85.8137.8179.163.30000117.7
1002S28.8Very low27.9Very low95 Ų95143.9 Ų143.966%0.66478%0.776SS**  cis-167.7166.3-15.445.10000111.2
1003D26.9Very low27Very low131 Ų131145.7 Ų145.770%0.70178%0.779SS**  173.1144.3113.4-92.87.4000117.1
1004L29.1Very low26.7Very low165 Ų165142 Ų14286%0.86477%0.774SS**  trans54.3137.2147.6-59170.5000123.1
1005G29.4Very low26.7Very low66 Ų66137 Ų13768%0.6877%0.768SS**  trans-137.6-178.616000000110
1006P39Very low26.7Very low135 Ų135136 Ų13688%0.87777%0.772SS**  -154.7-170.7117.538.6-18.9000117
1007K28.6Very low26.8Very low211 Ų211138.1 Ų138.192%0.91777%0.771SS**  trans-26.5161.6169.3-58.9168.5-179.11720117.8
1008G26.5Very low26.8Very low80 Ų80140.6 Ų140.683%0.82578%0.781SS**  cis-173.7-148.918.100000116.1
1009R30.4Very low26.7Very low259 Ų259139.2 Ų139.298%0.97778%0.776SS**  trans-97.2145.2-162.5-67.3175.4170.4172.2-5.1117.4
1010S24.2Very low26.7Very low111 Ų111134.9 Ų134.978%0.77678%0.776SS**  trans-163.5132.814749.40000107.8
1011S24.6Very low26.9Very low110 Ų110136.1 Ų136.177%0.76977%0.771SS**  85.4117.958.3-64.10000115.4
1012E22.9Very low26.9Very low169 Ų169139.5 Ų139.579%0.7977%0.769SS**  trans69.6117.2146.5-65.7-171.8120.400124.9
1013I23.4Very low26.7Very low133 Ų133141.8 Ų141.868%0.68277%0.769SS**  71.887.7119.4-59.7171.9000120.7
1014S23.6Very low26.5Very low101 Ų101145 Ų14571%0.70678%0.777SS**  82.3164.4117.480.70000125.1
1015V25.7Very low26.5Very low119 Ų119144.5 Ų144.572%0.72178%0.775SS**  trans82.6105.7162.1-175.10000120.7E1017V1015-E1017 HydrophobicContact CG1-CB 4.41Å
1016A26.2Very low26.8Very low98 Ų98146.6 Ų146.681%0.8178%0.777SS**  -166.9110118.100000105.7
1017E25.8Very low26.3Very low137 Ų137151.6 Ų151.664%0.6478%0.78SS**  cis60.6105.946.6-167.6158.1-149.800115.5V1015 R1019V1015-E1017 HydrophobicContact CG1-CB 4.41Å; E1017-R1019 WeakPolarHBondContact OE1-CD 3.38Å; E1017-R1019 IonicContact OE1-NH1 2.71Å
1018M26.3Very low26.1Very low195 Ų195144.6 Ų144.696%0.96177%0.768SS**  trans-143.2144143.8-172.5161.6-83.800109.1
1019R25Very low26.6Very low175 Ų175146.8 Ų146.866%0.6677%0.767SS**  trans-155.2126.1-158.1172-173.8176.1168.70.7113.6E1017E1017-R1019 WeakPolarHBondContact OE1-CD 3.38Å; E1017-R1019 IonicContact OE1-NH1 2.71Å
1020S25.2Very low26.5Very low111 Ų111143.6 Ų143.678%0.77676%0.761SS**  trans-166.2135.2156.3-156.20000106.9
1021Q26.7Very low26.5Very low130 Ų130143.9 Ų143.961%0.60776%0.758SS**  cis65.2138.438.7-57-163.5-21.600112.5
1022R26.1Very low26.6Very low199 Ų199149.4 Ų149.475%0.75176%0.762SS**  cis-160.6151.427.6-157.4173.2-171.7151.86.9115.1
1023E24.3Very low26.8Very low142 Ų142146.1 Ų146.166%0.66476%0.764SS**  trans4.3138.6157.1-53.4164.385.300122.7
1024K24.3Very low26.8Very low199 Ų199144.3 Ų144.387%0.86577%0.769SS**  179.3146.6102.9-97.2173.4-178.4178.50115.5
1025N28.2Very low27Very low155 Ų155147.6 Ų147.683%0.82978%0.778SS**  trans-87.4168166.2-69.1-7.3000111.3
1026P36.7Very low27.8Very low109 Ų109147.1 Ų147.171%0.70878%0.777SS**  -153.9162.2102.741.7-25.2000118.1
1027Y26.7Very low27.7Very low241 Ų241147.6 Ų147.695%0.94577%0.774SS**  trans61.9159.2163.4-66.2-68000120.9
1028G25.1Very low27.7Very low64 Ų64148.5 Ų148.566%0.6678%0.782SS**  trans-164.9-175.1176.600000110.8
1029P37.1Very low27.7Very low125 Ų125143.8 Ų143.881%0.81277%0.774SS**  trans-145.3172.4144.131.7-11.9000116.8
1030F27.8Very low27.8Very low192 Ų192140.1 Ų140.184%0.84278%0.781SS**  trans-29.2167.9169.8-54.4-87.9000119.7
1031T25.5Very low27.9Very low118 Ų118143.8 Ų143.872%0.72479%0.786SS**  cis-163139.725.6-21.50000116
1032R27.1Very low28Very low226 Ų226145.2 Ų145.285%0.85379%0.792SS**  trans34.4108.5135-173.1177.1-83.6154.2-6.6124.1
1033A25.6Very low28.2Very low99 Ų99141.6 Ų141.682%0.81880%0.795SS**  39.4145.912000000126
1034A24.1Very low28.4Very low96 Ų96140.3 Ų140.379%0.79380%0.797SS**  trans-148.1163.8152.400000111.6
1035L28.1Very low29.2Very low170 Ų170135.6 Ų135.689%0.8979%0.786SS**  trans-133.5-147.6-179-68.9169.1000111.3
1036P42.9Very low29.1Very low108 Ų108135.3 Ų135.370%0.70178%0.784SS**  -131-176.8-106.143.1-25.2000116.3
1037S23.8Very low28.7Very low108 Ų108140.3 Ų140.376%0.75579%0.791SS**  trans-142.6139.2158.746.50000109
1038I25.5Very low28.8Very low157 Ų157134.2 Ų134.281%0.80578%0.783SS**  cis76.2121.539.1-59.3173.2000111.5
1039A25.7Very low29Very low96 Ų96134.4 Ų134.479%0.79379%0.786SS**  cis-165.5165.4-1400000110.2
1040A27.5Very low28.8Very low98 Ų98136.3 Ų136.381%0.8179%0.789SS**  trans-158.5110.3161.200000112.7
1041E27Very low29.4Very low188 Ų188133 Ų13388%0.87979%0.787SS**  trans31.7145.8149.7-63.9-57.4102.500124.4
1042Q28.5Very low29.6Very low159 Ų159134.4 Ų134.474%0.74379%0.788SS**  trans-134.8139.3175.8176-17218.400110.1V1044Q1042-V1044 HydrophobicContact CG-CG2 4.3Å
1043P30.6Very low29.9Very low123 Ų123130.1 Ų130.180%0.79979%0.787SS**  trans-126.3156.4152.135.1-23.6000113.6
1044V28.3Very low30Very low116 Ų116130.5 Ų130.570%0.70379%0.79SS**  trans-133.1176.3171.8-130.90000108.3Q1042Q1042-V1044 HydrophobicContact CG-CG2 4.3Å
1045P42.2Very low30.3Very low100 Ų100131.8 Ų131.865%0.64979%0.788SS**  -103.9164.7-120.739.9-28.9000114.9
1046N26.5Very low30.4Very low148 Ų148134.1 Ų134.179%0.79179%0.787SS**  171.6169.2126.8-89.8-45.8000113.2
1047Y27.6Very low29.7Very low215 Ų215133.1 Ų133.184%0.84379%0.788SS**  trans75.9100167.5-81.2-81.2000121.1
1048S27.7Very low30.1Very low112 Ų112135.6 Ų135.678%0.78379%0.791SS**  43.3124.8128.566.40000122.1
1049G29.1Very low30.2Very low69 Ų69134 Ų13471%0.71179%0.791SS**  trans161.213015500000113
1050N34.3Very low30.4Very low164 Ų164134.3 Ų134.388%0.87779%0.793SS**  trans-76.1144.5168.1-68.3-17.2000110
1051P40.8Very low30.4Very low124 Ų124134.5 Ų134.581%0.80580%0.795SS**  trans-116136.714834.1-25.9000111.5
1052I28.7Very low30.9Very low147 Ų147134.2 Ų134.275%0.75479%0.79SS**  trans-103.5137.4169.7-73.2174.5000107.8
1053T32.8Very low31.1Very low135 Ų135132.8 Ų132.883%0.82880%0.795SS**  trans34.8112169.758.50000118.6
1054A29.3Very low31Very low107 Ų107130.3 Ų130.388%0.88479%0.792SS**  trans-130.8134.3153.500000109.8
1055V29.1Very low31.1Very low124 Ų124135.3 Ų135.375%0.75280%0.8SS**  trans-102.6134.8170.4178.90000107
1056Y30.5Very low30.4Very low218 Ų218134.9 Ų134.986%0.85580%0.799SS**  trans161.5157.8130.6-101.7-76.3000114.9
1057A29.3Very low30.5Very low87 Ų87135.4 Ų135.472%0.71980%0.797SS**  trans72.2130.6147.800000120.5
1058I31.4Very low30.6Very low161 Ų161135.8 Ų135.883%0.82680%0.798SS**  trans-94.3121.3164.6-60.4165.7000107.8
1059P28.4Very low30.7Very low123 Ų123139.5 Ų139.580%0.79980%0.801SS**  trans-87.6109.9166.731.8-28.6000110.1
1060A28.3Very low30.7Very low102 Ų102142.9 Ų142.984%0.84381%0.807SS**  trans-86.7116.3174.600000111
1061A29.1Very low30.5Very low102 Ų102140.2 Ų140.284%0.84380%0.799SS**  trans-143.4119.1171.500000111
1062K36.7Very low29.9Very low182 Ų182140.5 Ų140.579%0.79180%0.799SS**  trans-116.8151.9167.1-77.3-171.1175.4-174.30109.2
1063P33.5Very low29.8Very low130 Ų130139 Ų13984%0.84480%0.801SS**  -139.2159.2128.537.3-26.1000113.6
1064G27.6Very low29.8Very low71 Ų71138.5 Ų138.573%0.73280%0.8SS**  trans99.6145.8169.200000115.9
1065Y29.5Very low29.7Very low221 Ų221140 Ų14087%0.86780%0.798SS**  trans-152.9176.9-176.1-120.5-76000110.7
1066S29Very low29.6Very low91 Ų91139.7 Ų139.764%0.63680%0.802SS**  trans89.8127.9177.4-167.10000114.9
1067E27Very low29.5Very low158 Ų158140.1 Ų140.174%0.73880%0.803SS**  cis-165.9-175.6-17.3-123.8155135.400112.4
1068Y31.3Very low29.5Very low224 Ų224144.7 Ų144.788%0.87881%0.81SS**  trans99.6127.5167.9-65-77.5000118.9
1069F28.8Very low29.4Very low189 Ų189142.6 Ų142.683%0.82981%0.809SS**  trans-105.9145.4-173.5-87.6-106.8000112.5
1070V28.4Very low29.9Very low140 Ų140142.9 Ų142.985%0.84881%0.811SS**  -143.9128125.9-177.30000107.6
1071P30.8Very low30Very low108 Ų108143.7 Ų143.770%0.70181%0.811SS**  trans-89.7138-179.733.7-32.9000113.1
1072T28.5Very low30Very low131 Ų131150.7 Ų150.780%0.80482%0.815SS**  trans-114.8136164.6500000109.8
1073S26.4Very low29.6Very low115 Ų115148.9 Ų148.980%0.80481%0.811SS**PPolyproline II helixtrans-66.3125.3-170.153.60000114
1074P32.5Very low29.3Very low125 Ų125148.5 Ų148.581%0.81281%0.812SS**PPolyproline II helixtrans-78144.3169.832.2-33.7000111.8
1075T27.2Very low29.4Very low138 Ų138154.3 Ų154.385%0.84781%0.813SS**PPolyproline II helixtrans-75.2135.7176.749.30000112
1076S27.5Very low29.7Very low117 Ų117148.9 Ų148.982%0.81881%0.805SS**PPolyproline II helixtrans-78143.8179.449.60000113.4
1077Y28.8Very low30.1Very low227 Ų227150.6 Ų150.689%0.8981%0.814SS**  trans-122.1151.1162.3-115.7-92.3000109.3
1078H29.1Very low30.2Very low184 Ų184151.7 Ų151.785%0.85282%0.819SS**  trans-74.1143.4-167.3-69.2-94.5000115.1
1079S28.3Very low30.8Very low117 Ų117147 Ų14782%0.81882%0.816SS**  -163.5151.7122.129.20000110.5
1080P40.3Very low30.8Very low128 Ų128146.3 Ų146.383%0.83182%0.815SS**  trans-105.8137.9-168.637.4-31.2000114.5
1081S29.7Very low31Very low120 Ų120147 Ų14784%0.83981%0.814SS**  trans-146161.4158.255.60000109.6
1082W30Very low31.1Very low248 Ų248148.5 Ų148.594%0.93982%0.821SS**  trans-97.5166.6-162.7-96.135000114.9
1083M27.3Very low30.9Very low144 Ų144150.7 Ų150.771%0.70982%0.822SS**  trans77.7117.2170.8-54.2-169.971.200116.9Y1085M1083-Y1085 HydrophobicContact CE-CE2 4.15Å
1084S27.2Very low31.3Very low122 Ų122150.5 Ų150.585%0.85382%0.818SS**  trans-125.4125.3159.4-54.60000107.4
1085Y30.8Very low31Very low193 Ų193151.9 Ų151.976%0.75781%0.814SS**PPolyproline II helixtrans-75.8149.1171.2-84.6-100.6000110M1083M1083-Y1085 HydrophobicContact CE-CE2 4.15Å
1086P35.3Very low31.2Very low108 Ų108156.8 Ų156.870%0.70182%0.817SS**PPolyproline II helixtrans-69.2143.9169.431.1-34.1000110.2
1087P36.3Very low31.1Very low127 Ų127156.1 Ų156.183%0.82581%0.808SS**PPolyproline II helixtrans-76.1132.4170.730.8-32.6000110.9
1088E30.7Very low31Very low181 Ų181152.5 Ų152.585%0.84680%0.804SS**PPolyproline II helixtrans-80161163.6-79.7-170.4131.300111.1E1090E1088-E1090 PolarHBondContact O-N 2.93Å
1089P42Very low30.9Very low124 Ų124148.9 Ų148.981%0.80580%0.8SS**  trans-10754.4-145.740.7-35.8000116.1
1090E30.5Very low30.8Very low176 Ų176146.7 Ų146.782%0.82280%0.795SS**  trans-135.9135.2168.3-81.6152.4-151.500106.8E1088E1088-E1090 PolarHBondContact O-N 2.93Å
1091D32.8Very low30.7Very low155 Ų155146.9 Ų146.983%0.82980%0.796SS**  cis-122.6136.319.5-65.5-65.6000114.1
1092V32.1Very low30.6Very low139 Ų139148.8 Ų148.884%0.84280%0.796SS**  trans-134.7119.9164.1175.60000109.1
1093H24.9Very low31.1Very low176 Ų176142.9 Ų142.982%0.81579%0.79SS**  trans-124.1101.2-172.6-140.6-49.2000113.1
1094P33.4Very low31.1Very low112 Ų112138.9 Ų138.973%0.72779%0.785SS**  trans-121.2111.4166.931.6-15.1000111.3
1095Q26.6Very low31Very low154 Ų154143.9 Ų143.972%0.7279%0.787SS**  trans-107.797.8-178.8-176-169.68.300112.5
1096W31.2Very low30.9Very low240 Ų240138.6 Ų138.691%0.90978%0.783SS**  trans-152.4105.8149.4-74.389.8000105.9
1097T26.5Very low30.4Very low104 Ų104142.1 Ų142.164%0.63879%0.79SS**  52.1132.682.759.60000114.5
1098D25.6Very low30Very low151 Ų151139.3 Ų139.381%0.80778%0.778SS**  cis-163.8178-14.8-163.81000108.8
1099S27.6Very low30.1Very low108 Ų108140.2 Ų140.276%0.75578%0.779SS**  trans74121165.670.60000119.9
1100G26.3Very low29.6Very low70 Ų70140.1 Ų140.172%0.72278%0.779SS**  trans-91.8-161.5147.500000110.9
1101P38.3Very low30Very low133 Ų133138.8 Ų138.886%0.86478%0.777SS**  cis-139-174.124.242.1-23000117
1102L26.8Very low30.4Very low160 Ų160136.2 Ų136.284%0.83877%0.769SS**  trans-55.2178.8161.5-72.2161.4000114.5
1103P40.8Very low30.1Very low123 Ų123140.2 Ų140.280%0.79977%0.769SS**  cis-138.5-175.5-2833.9-14.6000114.4
1104G26.4Very low30.1Very low60 Ų60142.4 Ų142.462%0.61977%0.772SS**  trans132.5134.1132.800000120.2
1105Y27Very low30.6Very low228 Ų228141.5 Ų141.589%0.89477%0.765SS**  trans45.5115.8148.3-68.1-90.1000120.1
1106A26.9Very low30.8Very low81 Ų81143.2 Ų143.267%0.66977%0.774SS**  82.9146.577.100000113
1107E26.2Very low30.7Very low183 Ų183135.3 Ų135.386%0.85577%0.767SS**  cis-157.9167.4-1.3-136.1178.8151.600112
1108A26.4Very low30.7Very low67 Ų67136 Ų13655%0.55478%0.776SS**  trans46.7110.5143.600000123.1
1109F33.3Very low31.6Very low200 Ų200133.6 Ų133.688%0.87777%0.768SS**  trans70.3160.9134.5-72.1-61.5000118.5
1110P32.8Very low31.5Very low123 Ų123134.3 Ų134.380%0.79977%0.768SS**  cis-136.8-179.335.643.3-24.4000118.3
1111N37.7Very low31.5Very low147 Ų147142.6 Ų142.679%0.78678%0.778SS**  trans-143.5121.2176.9176.59.3000110.5
1112P41.1Very low31Very low101 Ų101143.7 Ų143.766%0.65678%0.776SS**  trans-143.112316633.8-14.2000118.1
1113R26.8Very low31.4Very low224 Ų224141 Ų14185%0.84577%0.768SS**  trans65.4113.3130.6-58.4-177.9-177.8-169.41.9123.2
1114Y24.3Very low30.7Very low222 Ų222141.9 Ų141.987%0.87177%0.765SS**  60.4174.6124.8-86.5-71.9000120.8
1115P45.1Very low30.6Very low92 Ų92146.7 Ų146.760%0.59777%0.771SS**  cis-137.3-177.4-17.634.9-14.1000117.6
1116Q29.1Very low30.4Very low191 Ų191146.6 Ų146.689%0.89377%0.771SS**  trans70.5157.1152.3-78.3159.2-15.200119.2
1117G29.6Very low30.3Very low74 Ų74146.3 Ų146.376%0.76376%0.764SS**  cis-150.5-1637.800000115.5
1118S26.1Very low30.2Very low118 Ų118145.9 Ų145.983%0.82576%0.762SS**  trans-131-167.4-159.658.60000112.9
1119P45.3Very low30.1Very low101 Ų101148 Ų14866%0.65677%0.768SS**  -132.8-164.7-56.436.6-18000113.7
1120T25Very low29.8Very low123 Ų123145.5 Ų145.576%0.75576%0.763SS**  trans61.5121.6153.5530000121.8
1121R26.1Very low29.3Very low243 Ų243147.9 Ų147.992%0.91776%0.764SS**  179.7135.9101.8-102.8-175.4178.1175.8-0.3115.5
1122L27.9Very low28.6Very low157 Ų157148.9 Ų148.982%0.82276%0.764SS**  trans-82.8173.8146.4-74.5167000108
1123P35.3Very low28.1Very low103 Ų103149.5 Ų149.567%0.66977%0.768SS**  cis-151.9-170.425.746.4-25.2000117.8
1124L25.9Very low28.3Very low142 Ų142143.8 Ų143.874%0.74376%0.76SS**  trans41.7149137.6-94.868.3000121.7
1125Q24.8Very low28.3Very low161 Ų161139.7 Ų139.775%0.75276%0.758SS**  cis-169.2153.1-3.1-154.5169.122.300109
1126Y23Very low27.5Very low225 Ų225139.9 Ų139.988%0.88277%0.767SS**  trans-162.9156.7133.1-127.7-100.4000111.9
1127S24Very low27.6Very low75 Ų75136.4 Ų136.452%0.52476%0.761SS.*  trans-58.2144.8-161.753.90000121.9
1128Q25.4Very low27.3Very low174 Ų174143.8 Ų143.881%0.81377%0.766SS**  trans67.6151.5132.1-68.4176.7-25.500119.7
1129T23.8Very low27.3Very low112 Ų112143.8 Ų143.869%0.68776%0.761SS**  cis-156.7157.12-2.50000111.9
1130L26.2Very low26.4Very low147 Ų147145.4 Ų145.477%0.7777%0.769SS**  trans62.7153162-99.263.5000117.5
1131E23.8Very low26.4Very low173 Ų173144 Ų14481%0.80876%0.764SS**  cis-138.7161.71.6-161.3162-177.700111.5
1132Q22.6Very low26.4Very low168 Ų168139.4 Ų139.479%0.78575%0.753SS**  trans-128.2170.6-175.8-117.2-174.5-1100108.6
1133P29.5Very low26.4Very low115 Ų115139.7 Ų139.775%0.74775%0.75SS**  cis-145.5-143.145.445.9-21.9000112.8
1134P31.7Very low25.8Very low104 Ų104140.4 Ų140.468%0.67576%0.758SS**  -135.2177.1-120.237.6-13.5000118.6
1135T24.4Very low26Very low135 Ų135141.3 Ų141.383%0.82876%0.762SS**  trans-15.6141.6151.7-42.90000118.9
1136A27.8Very low26.6Very low96 Ų96138.8 Ų138.879%0.79376%0.76SS**  trans-145.2152.1156.500000112.8
1137P32.5Very low26.8Very low119 Ų119136.1 Ų136.177%0.77376%0.755SS**  trans-129.3-173.6-170.444.2-28.8000116.3
1138R22.6Very low27.1Very low228 Ų228139.3 Ų139.386%0.8677%0.772SS**  trans1144.6156-83.6-177.9170.5163.8-3.5122.4
1139T26.4Very low27.8Very low118 Ų118138.9 Ų138.972%0.72477%0.774SS**  trans78.6113.8136.949.90000123.8
1140V25.2Very low28.2Very low136 Ų136142 Ų14282%0.82478%0.778SS**  78.8132.9122.8176.90000121.6
1141S25.6Very low28.6Very low92 Ų92140.7 Ų140.764%0.64377%0.772SS**  trans99.1119.9156.7-115.30000121.8
1142E26.2Very low29.3Very low148 Ų148139.6 Ų139.669%0.69277%0.769SS**  trans68.4136.2134.1-77.2-176.2108.700126.1
1143Q28.1Very low30.1Very low162 Ų162139.7 Ų139.776%0.75777%0.774SS**  trans46.7106142.6-57.9-173.74200120.3
1144S22.9Very low30.7Very low118 Ų118138.4 Ų138.483%0.82577%0.768SS**  175.1154.8107.345.60000113.5
1145L29.1Very low31.1Very low161 Ų161139.2 Ų139.284%0.84377%0.765SS**  trans-91.6152.5151.8-123.382.1000106.6
1146P38Very low31.9Very low108 Ų108137 Ų13770%0.70175%0.752SS**  -152.1162.161.442.4-22.9000118.3
1147Q28Very low32.8Very low169 Ų169140 Ų14079%0.7975%0.754SS**  trans5387.9132.5-166.9173.8-3.100120.1
1148V29.8Very low33.4Very low143 Ų143139.4 Ų139.487%0.86775%0.753SS**  trans-125.696.9134.7-178.40000108.4
1149L38.9Very low34.7Very low164 Ų164132.7 Ų132.786%0.85974%0.741SS**  trans-115.484.8168.717976.9000107.7
1150K33.1Very low36Very low179 Ų179132.1 Ų132.178%0.77873%0.733SS**  trans-170.6160.7164.1-109.3164.1-176-176.40109.8
1151D33.7Very low37.5Very low118 Ų118128.8 Ų128.863%0.63172%0.715SS**  trans57.964.6170.6-55.3-20.3000116.7
1152M40.3Very low39.1Very low151 Ų151129.8 Ų129.874%0.74472%0.718SS**SBendtrans-125.56.3149.8-82.1-70.413300113.3S1154 M1155M1152-S1154 VanDerWaalsContact C-N 3.33Å; M1152-M1155 HydrophobicContact CE-SD 4.41Å
1153D38.3Very low40.5Very low169 Ų169126.1 Ų126.190%0.90471%0.709SS**SBendtrans-89.58.6178.9-60.7-55.6000113.6
1154S43.2Very low42.1Very low89 Ų89120.2 Ų120.262%0.62269%0.687SS**SBendtrans-1349.2-16756.70000115.8M1152M1152-S1154 VanDerWaalsContact C-N 3.33Å
1155M39.9Very low44.3Very low121 Ų121119.1 Ų119.160%0.59667%0.672SS**SBendtrans-91.4134.1171.7-73.2-158.674.300112.2M1152M1152-M1155 HydrophobicContact CE-SD 4.41Å
1156P40.9Very low46.3Very low87 Ų87114.5 Ų114.557%0.56565%0.65SS**  trans-70.3140.417729.2-34.4000111.8S1158P1156-S1158 PolarHBondContact O-N 3.37Å
1157L46.8Very low47.4Very low159 Ų159115.4 Ų115.483%0.83265%0.645SS**THydrogen-bonded Turntrans-70.115.3-175.2-67.2170.2000115.2L1160L1157-L1160 HydrophobicContact CD2-CD1 4.05Å
1158S45Very low49.7Very low108 Ų108109.8 Ų109.876%0.75563%0.628SS**THydrogen-bonded Turntrans-99.5-4.1-17251.60000115.3P1156P1156-S1158 PolarHBondContact O-N 3.37Å
1159S48.7Very low51.9Low86 Ų86107.5 Ų107.560%0.60161%0.609SS**SBendtrans-126.716-178.968.90000115S1161S1159-S1161 PolarHBondContact O-N 3.39Å
1160L53.6Low53.7Low107 Ų107108.2 Ų108.256%0.5660%0.601SS**  trans-77105176.7-85.8164.7000111.3L1157 A1164L1157-L1160 HydrophobicContact CD2-CD1 4.05Å; L1160-A1164 HydrophobicContact CD2-CB 4.08Å
1161S56.6Low55.4Low65 Ų65106.2 Ų106.246%0.45559%0.594SS.*  trans-53.2141.6168.6175.70000111.3S1159 S1163 A1164 L1165S1159-S1161 PolarHBondContact O-N 3.39Å; S1161-S1163 PolarHBondContact O-N 2.98Å; S1161-S1163 VanDerWaalsContact O-N 3.11Å; S1161-S1163 PolarHBondContact OG-N 2.88Å; S1161-S1163 PolarHBondContact OG-OG 2.68Å; S1161-A1164 WeakPolarHBondContact O-CB 3.27Å; S1161-A1164 PolarHBondContact O-N 3.1Å; S1161-L1165 PolarHBondContact O-N 3.03Å
1162T60.4Low57.7Low113 Ų113105.5 Ų105.569%0.69359%0.587SS**Hα-helixtrans-57.9-26.3176.752.80000112.7V1166T1162-V1166 WeakPolarHBondContact O-CB 3.06Å; T1162-V1166 VanDerWaalsContact O-CG2 3.29Å; T1162-V1166 WeakPolarHBondContact O-CG2 3.29Å; T1162-V1166 PolarHBondContact O-N 3Å
1163S55.2Low59.5Low72 Ų72102.6 Ų102.650%0.50358%0.578SS.*Hα-helixtrans-63.3-41.7171.856.40000113S1161 V1166 Q1167S1161-S1163 PolarHBondContact O-N 2.98Å; S1161-S1163 VanDerWaalsContact O-N 3.11Å; S1161-S1163 PolarHBondContact OG-N 2.88Å; S1161-S1163 PolarHBondContact OG-OG 2.68Å; S1163-V1166 PolarHBondContact O-N 3.28Å; S1163-Q1167 PolarHBondContact O-N 3.23Å
1164A61.2Low61Low37 Ų3797.4 Ų97.431%0.30656%0.558SS.*Hα-helixtrans-69-42.4179.200000111.3L1160 S1161 V1166 Q1167 A1168L1160-A1164 HydrophobicContact CD2-CB 4.08Å; S1161-A1164 WeakPolarHBondContact O-CB 3.27Å; S1161-A1164 PolarHBondContact O-N 3.1Å; A1164-V1166 VanDerWaalsContact C-N 3.34Å; A1164-V1166 PolarHBondContact O-N 3.06Å; A1164-Q1167 PolarHBondContact O-N 3.49Å; A1164-A1168 PolarHBondContact O-N 2.02Å
1165L68.9Low62.4Low96 Ų9699.8 Ų99.850%0.50356%0.557SS.*Hα-helixtrans-58.6-45.2173.5-170.477.9000111.4S1161 Q1167 A1168 I1169S1161-L1165 PolarHBondContact O-N 3.03Å; L1165-Q1167 VanDerWaalsContact C-N 3.34Å; L1165-Q1167 PolarHBondContact O-N 2.84Å; L1165-A1168 PolarHBondContact O-N 3.37Å; L1165-I1169 HydrophobicContact CD2-CD1 4.37Å; L1165-I1169 HydrophobicContact CG-CD1 3.97Å; L1165-I1169 WeakPolarHBondContact O-CB 3.06Å; L1165-I1169 VanDerWaalsContact O-CG1 3.29Å; L1165-I1169 WeakPolarHBondContact O-CG1 3.1Å; L1165-I1169 PolarHBondContact O-N 3.2Å
1166V71.9Confident63.6Low64 Ų6499.1 Ų99.139%0.38856%0.556SS.*Hα-helixtrans-67.6-31.9178170.30000112.2T1162 S1163 A1164 R1170T1162-V1166 WeakPolarHBondContact O-CB 3.06Å; T1162-V1166 VanDerWaalsContact O-CG2 3.29Å; T1162-V1166 WeakPolarHBondContact O-CG2 3.29Å; T1162-V1166 PolarHBondContact O-N 3Å; S1163-V1166 PolarHBondContact O-N 3.28Å; A1164-V1166 VanDerWaalsContact C-N 3.34Å; A1164-V1166 PolarHBondContact O-N 3.06Å; V1166-R1170 WeakPolarHBondContact O-CB 3.21Å; V1166-R1170 WeakPolarHBondContact O-CG 3.21Å; V1166-R1170 PolarHBondContact O-N 2.81Å
1167Q62.1Low64.9Low126 Ų12697.4 Ų97.459%0.58955%0.549SS*.Hα-helixtrans-70.1-43.6171.3-79.7-178.1-70.900112.4S1163 A1164 L1165 R1170 Q1171S1163-Q1167 PolarHBondContact O-N 3.23Å; A1164-Q1167 PolarHBondContact O-N 3.49Å; L1165-Q1167 VanDerWaalsContact C-N 3.34Å; L1165-Q1167 PolarHBondContact O-N 2.84Å; Q1167-R1170 PolarHBondContact O-N 2.88Å; Q1167-Q1171 PolarHBondContact O-N 2.75Å
1168A75.3Confident65.5Low52 Ų5296.5 Ų96.543%0.4354%0.538SS..Hα-helixtrans-59.8-47.717600000111.4A1164 L1165 R1170 Q1171 E1172A1164-A1168 PolarHBondContact O-N 2.02Å; L1165-A1168 PolarHBondContact O-N 3.37Å; A1168-R1170 VanDerWaalsContact C-N 3.32Å; A1168-R1170 PolarHBondContact O-N 2.81Å; A1168-Q1171 PolarHBondContact O-N 3.32Å; A1168-Q1171 VanDerWaalsContact O-N 3.15Å; A1168-E1172 PolarHBondContact O-N 2.86Å
1169I76Confident66.3Low94 Ų9498 Ų9848%0.48253%0.531SS..Hα-helixtrans-59.7-41.7175.1-68.2166.4000111L1165 Q1171 E1172 V1173L1165-I1169 HydrophobicContact CD2-CD1 4.37Å; L1165-I1169 HydrophobicContact CG-CD1 3.97Å; L1165-I1169 WeakPolarHBondContact O-CB 3.06Å; L1165-I1169 VanDerWaalsContact O-CG1 3.29Å; L1165-I1169 WeakPolarHBondContact O-CG1 3.1Å; L1165-I1169 PolarHBondContact O-N 3.2Å; I1169-Q1171 PolarHBondContact O-N 3.35Å; I1169-E1172 PolarHBondContact O-N 3.09Å; I1169-V1173 HydrophobicContact CG2-CG2 4.42Å; I1169-V1173 WeakPolarHBondContact O-CB 3.32Å; I1169-V1173 VanDerWaalsContact O-CG2 3.28Å; I1169-V1173 WeakPolarHBondContact O-CG2 3.28Å; I1169-V1173 PolarHBondContact O-N 2.82Å
1170R76.9Confident66.5Low179 Ų179100 Ų10068%0.67553%0.531SS*.Hα-helixtrans-66.4-34.8176.2-77174.6-174.9-170.76.3113.1V1166 Q1167 A1168 A1174V1166-R1170 WeakPolarHBondContact O-CB 3.21Å; V1166-R1170 WeakPolarHBondContact O-CG 3.21Å; V1166-R1170 PolarHBondContact O-N 2.81Å; Q1167-R1170 PolarHBondContact O-N 2.88Å; A1168-R1170 VanDerWaalsContact C-N 3.32Å; A1168-R1170 PolarHBondContact O-N 2.81Å; R1170-A1174 VanDerWaalsContact O-CB 3.24Å; R1170-A1174 WeakPolarHBondContact O-CB 3.37Å; R1170-A1174 PolarHBondContact O-N 3.04Å
1171Q68.3Low66.6Low137 Ų137100.8 Ų100.864%0.6454%0.536SS*.Hα-helixtrans-74-37.2176.5-75.9-176.3-20.600112.3Q1167 A1168 I1169 A1174 K1175Q1167-Q1171 PolarHBondContact O-N 2.75Å; A1168-Q1171 PolarHBondContact O-N 3.32Å; A1168-Q1171 VanDerWaalsContact O-N 3.15Å; I1169-Q1171 PolarHBondContact O-N 3.35Å; Q1171-A1174 PolarHBondContact O-N 2.71Å; Q1171-K1175 PolarHBondContact O-N 2.73Å
1172E82.3Confident66.2Low103 Ų103102.4 Ų102.448%0.48154%0.54SS..Hα-helixtrans-63.8-47.8169.9-92.2-60.2118.600111.6A1168 I1169 A1174 K1175 L1176A1168-E1172 PolarHBondContact O-N 2.86Å; I1169-E1172 PolarHBondContact O-N 3.09Å; E1172-A1174 VanDerWaalsContact C-N 3.28Å; E1172-A1174 PolarHBondContact O-N 3.41Å; E1172-K1175 WeakPolarHBondContact O-CB 3.47Å; E1172-K1175 PolarHBondContact O-N 2.93Å; E1172-K1175 VanDerWaalsContact O-N 3.15Å; E1172-K1175 WeakPolarHBondContact OE1-CD 3.3Å; E1172-K1175 IonicContact OE1-NZ 3.35Å; E1172-K1175 PolarHBondContact OE1-NZ 2.87Å; E1172-L1176 WeakPolarHBondContact O-CB 3.33Å; E1172-L1176 PolarHBondContact O-N 3.5Å
1173V78.2Confident65.8Low91 Ų91102.4 Ų102.455%0.55253%0.534SS*.Hα-helixtrans-60.8-36.8175.4170.80000111.6I1169 L1176 A1177I1169-V1173 HydrophobicContact CG2-CG2 4.42Å; I1169-V1173 WeakPolarHBondContact O-CB 3.32Å; I1169-V1173 VanDerWaalsContact O-CG2 3.28Å; I1169-V1173 WeakPolarHBondContact O-CG2 3.28Å; I1169-V1173 PolarHBondContact O-N 2.82Å; V1173-L1176 PolarHBondContact O-N 3.04Å; V1173-A1177 VanDerWaalsContact O-CB 3.3Å; V1173-A1177 WeakPolarHBondContact O-CB 3.19Å; V1173-A1177 PolarHBondContact O-N 3.08Å
1174A70.6Confident65.5Low60 Ų60107.8 Ų107.850%0.49655%0.549SS..Hα-helixtrans-68.4-39.2174.600000113R1170 Q1171 E1172 K1178R1170-A1174 VanDerWaalsContact O-CB 3.24Å; R1170-A1174 WeakPolarHBondContact O-CB 3.37Å; R1170-A1174 PolarHBondContact O-N 3.04Å; Q1171-A1174 PolarHBondContact O-N 2.71Å; E1172-A1174 VanDerWaalsContact C-N 3.28Å; E1172-A1174 PolarHBondContact O-N 3.41Å; A1174-K1178 WeakPolarHBondContact O-CB 3.35Å; A1174-K1178 PolarHBondContact O-N 3.01Å
1175K71.8Confident64.7Low138 Ų138114.3 Ų114.360%0.657%0.573SS**Hα-helixtrans-62.4-43.9170.4-82.7178.4-179.9172.50111.5Q1171 E1172 K1178 K1179Q1171-K1175 PolarHBondContact O-N 2.73Å; E1172-K1175 WeakPolarHBondContact O-CB 3.47Å; E1172-K1175 PolarHBondContact O-N 2.93Å; E1172-K1175 VanDerWaalsContact O-N 3.15Å; E1172-K1175 WeakPolarHBondContact OE1-CD 3.3Å; E1172-K1175 IonicContact OE1-NZ 3.35Å; E1172-K1175 PolarHBondContact OE1-NZ 2.87Å; K1175-K1178 PolarHBondContact O-N 2.66Å; K1175-K1179 WeakPolarHBondContact O-CB 3.5Å; K1175-K1179 PolarHBondContact O-N 2.93Å
1176L65.8Low63.3Low107 Ų107122.3 Ų122.356%0.5660%0.604SS**Hα-helixtrans-66.3-43.1-178.5-149.178.9000111.2E1172 V1173 K1179 Q1180E1172-L1176 WeakPolarHBondContact O-CB 3.33Å; E1172-L1176 PolarHBondContact O-N 3.5Å; V1173-L1176 PolarHBondContact O-N 3.04Å; L1176-K1179 PolarHBondContact O-N 2.9Å; L1176-Q1180 PolarHBondContact O-N 3.28Å
1177A67.1Low62.8Low52 Ų52125.3 Ų125.343%0.4362%0.615SS.*Hα-helixtrans-62.4-43173.800000112V1173 Q1180 N1181V1173-A1177 VanDerWaalsContact O-CB 3.3Å; V1173-A1177 WeakPolarHBondContact O-CB 3.19Å; V1173-A1177 PolarHBondContact O-N 3.08Å; A1177-Q1180 PolarHBondContact O-N 3.28Å; A1177-N1181 PolarHBondContact O-N 3.08Å; A1177-N1181 VanDerWaalsContact O-N 3.11Å
1178K59Low62.9Low140 Ų140125.2 Ų125.261%0.60962%0.616SS**Hα-helixtrans-61.8-44.9173.9-170.6178.4177.6-175.40111.3A1174 K1175 Q1180 N1181 D1182A1174-K1178 WeakPolarHBondContact O-CB 3.35Å; A1174-K1178 PolarHBondContact O-N 3.01Å; K1175-K1178 PolarHBondContact O-N 2.66Å; K1178-Q1180 PolarHBondContact O-N 2.79Å; K1178-N1181 PolarHBondContact O-N 3.29Å; K1178-N1181 VanDerWaalsContact O-N 3.1Å; K1178-D1182 VanDerWaalsContact O-CG 3.31Å; K1178-D1182 PolarHBondContact O-N 3.23Å
1179K61.6Low62.2Low140 Ų140129.3 Ų129.361%0.60963%0.627SS**Hα-helixtrans-65.9-23178-167.2173.6-178.7-178.50113.4K1175 L1176 I1183K1175-K1179 WeakPolarHBondContact O-CB 3.5Å; K1175-K1179 PolarHBondContact O-N 2.93Å; L1176-K1179 PolarHBondContact O-N 2.9Å; K1179-I1183 VanDerWaalsContact O-CD1 3.29Å; K1179-I1183 WeakPolarHBondContact O-CD1 3.41Å; K1179-I1183 VanDerWaalsContact O-CG1 3.26Å; K1179-I1183 WeakPolarHBondContact O-CG1 3.3Å
1180Q53.8Low61.4Low128 Ų128131.4 Ų131.460%0.59864%0.635SS**Hα-helixtrans-77.6-37.1169.3-75.8-162.5-55.900112.7L1176 A1177 K1178 I1183L1176-Q1180 PolarHBondContact O-N 3.28Å; A1177-Q1180 PolarHBondContact O-N 3.28Å; K1178-Q1180 PolarHBondContact O-N 2.79Å; Q1180-I1183 PolarHBondContact O-N 3.28Å
1181N56.5Low60.4Low122 Ų122128.4 Ų128.465%0.65263%0.633SS**Hα-helixtrans-63.5-44.5171.6-8217.3000111.4A1177 K1178 I1183 F1184A1177-N1181 PolarHBondContact O-N 3.08Å; A1177-N1181 VanDerWaalsContact O-N 3.11Å; K1178-N1181 PolarHBondContact O-N 3.29Å; K1178-N1181 VanDerWaalsContact O-N 3.1Å; N1181-I1183 PolarHBondContact O-N 3.47Å; N1181-F1184 PolarHBondContact O-N 3.32Å
1182D48.4Very low59.9Low100 Ų100127.8 Ų127.854%0.53563%0.632SS.*THydrogen-bonded Turntrans-65.9-0.8176.8-59.5-16.4000113.2K1178K1178-D1182 VanDerWaalsContact O-CG 3.31Å; K1178-D1182 PolarHBondContact O-N 3.23Å
1183I51.3Low58.3Low113 Ų113129.6 Ų129.658%0.57964%0.643SS**THydrogen-bonded Turntrans-106.5-9174.2-76.3172.1000112.3K1179 Q1180 N1181K1179-I1183 VanDerWaalsContact O-CD1 3.29Å; K1179-I1183 WeakPolarHBondContact O-CD1 3.41Å; K1179-I1183 VanDerWaalsContact O-CG1 3.26Å; K1179-I1183 WeakPolarHBondContact O-CG1 3.3Å; Q1180-I1183 PolarHBondContact O-N 3.28Å; N1181-I1183 PolarHBondContact O-N 3.47Å
1184F48.6Very low56.8Low185 Ų185132.5 Ų132.581%0.81165%0.65SS**SBendtrans-97.70.5173.8-90-82000114N1181N1181-F1184 PolarHBondContact O-N 3.32Å
1185E45.2Very low55.6Low174 Ų174138.6 Ų138.681%0.81366%0.663SS**  trans-115.158.6166.7-70.9-165.3123.200111.7
1186F38.3Very low54.1Low264 Ų264138.6 Ų138.6100%1.15867%0.669SS**  trans-153.20162.8-105.7-68.8000112.5

Retrieved 1,186 of 1,186 residues in 321.6 ms (Link to these results)