A0A087Y774_POEFO Loading...

KAT8 regulatory NSL complex subunit 1

AlphaFold DB , UniProt , Accession A0A087Y774, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,108 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
1M44.8Very low36.7Very low251 Ų251133 Ų133100%1.23683%0.832SS**  01350-70.2172.6177.300107.9
2A33.9Very low36.4Very low92 Ų92132.8 Ų132.876%0.7683%0.833SS**  trans-77.5155.3-178.500000110.5
3A38.9Very low36.1Very low85 Ų85130.2 Ų130.270%0.70283%0.832SS**  61.9153.981.600000113.3
4M34.7Very low35.5Very low174 Ų174134.7 Ų134.786%0.85784%0.837SS**  cis-136.8162.221.4-72.6-81.1-77.400112.4
5A35Very low35.2Very low82 Ų82130.5 Ų130.568%0.67882%0.821SS**  trans-105.6142.9148.900000108.4
6P44.6Very low34.9Very low128 Ų128132.1 Ų132.183%0.83182%0.815SS**  trans-79.2124.5172.931.1-31.4000110.2
7A34.5Very low34.7Very low88 Ų88133.2 Ų133.273%0.72781%0.808SS**  trans-98.6141.4157.700000108.3
8L34.7Very low34.4Very low176 Ų176133.9 Ų133.992%0.92181%0.805SS**  trans-110.5126.3165.3-70.2175.1000108
9T39.9Very low34.1Very low130 Ų130138.3 Ų138.380%0.79881%0.806SS**  trans-138.5135.2170.449.40000107
10D29.5Very low33.8Very low166 Ų166141 Ų14189%0.88881%0.807SS**  trans-58.5154176.4-67-65.9000112.6
11A33.1Very low33.5Very low91 Ų91143.6 Ų143.675%0.75281%0.809SS**  trans-119.1135.1168.900000109.3
12P33.1Very low32.7Very low130 Ų130140.3 Ų140.384%0.84480%0.796SS**  trans-75.5162.1175.332.9-35.4000111.7
13A32.3Very low32.3Very low99 Ų99140.5 Ų140.582%0.81880%0.797SS**  trans-75.8153.5174.700000112.4
14E28.4Very low31.9Very low194 Ų194140.9 Ų140.991%0.90780%0.8SS**  -166.1-173.897.8-163.8138.9-153.400109.6
15A30.9Very low31.7Very low72 Ų72138.8 Ų138.860%0.59580%0.8SS**  trans-110.4-172.7-151.100000116
16H31Very low31.3Very low156 Ų156139.8 Ų139.872%0.72280%0.802SS**  trans108.3130162.1-59.1-68000116.9
17H29.9Very low30.6Very low150 Ų150139.2 Ų139.269%0.69480%0.801SS**  cis-174164.8-18.1-12643.3000109.8
18I30.4Very low30.4Very low147 Ų147139.7 Ų139.775%0.75480%0.799SS**  trans95.7123.1153.8-66.3150.5000121.6
19R28.6Very low30.2Very low217 Ų217138.2 Ų138.282%0.81979%0.791SS**  trans8691.1152.1-92.3172.2174161.11.1123.4
20F28.2Very low29.6Very low191 Ų191136.8 Ų136.884%0.83879%0.787SS**  42.2113.2113.4-75.4-82.1000119.8
21K27.9Very low30.1Very low196 Ų196134.6 Ų134.685%0.85278%0.782SS**  171.6120101-95.1-176.7-179.9-178.40112.1
22L27.6Very low29.8Very low182 Ų182134.5 Ų134.595%0.95378%0.781SS**  trans-152.9150.1140.7-84-168.8000108.8
23A26.1Very low29.7Very low96 Ų96134 Ų13479%0.79378%0.78SS**  trans-154.9131.4176.400000110.7
24A28.9Very low29.7Very low93 Ų93132.9 Ų132.977%0.76977%0.771SS**  trans61.3156.5174.800000115
25P30.9Very low29.8Very low130 Ų130131.9 Ų131.984%0.84477%0.767SS**  -117.4149.553.738-31.4000115.9
26S26.8Very low29.8Very low104 Ų104133.5 Ų133.573%0.72777%0.765SS**  trans-99.7-162.3163.8-44.80000110.1
27S30.8Very low29.8Very low115 Ų115132.9 Ų132.980%0.80477%0.767SS**  trans106.2145.8160-45.70000114.9
28S29.6Very low29.7Very low99 Ų99130.7 Ų130.769%0.69277%0.769SS**  cis-173.5167.8-13.847.40000107.5
29L29.4Very low29.7Very low144 Ų144131.3 Ų131.375%0.75477%0.773SS**  cis-158.9144.441.6-77.3168000108.7
30S28.8Very low30Very low100 Ų100124.3 Ų124.370%0.69976%0.762SS**  70152.888.3-41.20000115.1
31P40Very low30.2Very low121 Ų121122.1 Ų122.179%0.78676%0.759SS**  cis-101.9166.319.610.114.3000113.8
32A27.1Very low30.4Very low89 Ų89119 Ų11974%0.73675%0.752SS**  cis74.7140.840.900000113.4
33S31.1Very low30.8Very low118 Ų118116.3 Ų116.383%0.82574%0.737SS**  cis-170.3167.7-5.8-99.50000108.1
34A30.5Very low31.1Very low77 Ų77117.6 Ų117.664%0.63673%0.73SS**  cis-172.5-166.4-17.500000108.4
35E32.1Very low31.2Very low173 Ų173119.5 Ų119.581%0.80873%0.726SS**  trans71.1150.1162.9-64-174.3104.800118
36N29.3Very low31.2Very low106 Ų106121 Ų12157%0.56772%0.721SS**  cis-160.1145.8-6.2-120.8-30.6000111.8
37N30.7Very low31.4Very low143 Ų143122.2 Ų122.277%0.76573%0.73SS**  trans60.8155.9151.4-64.5-39.5000120
38S29.3Very low31.3Very low103 Ų103122.4 Ų122.472%0.7273%0.731SS**  cis-161.3135.5-1148.30000113.5
39N29.1Very low31.4Very low160 Ų160120.9 Ų120.986%0.85673%0.732SS**  trans54.5127.2138.1-143.111.8000124.4
40A35Very low32.2Very low71 Ų71120.7 Ų120.759%0.58774%0.739SS**  trans84.6123.714100000124.6
41N32.5Very low32.4Very low145 Ų145119 Ų11978%0.77574%0.737SS**  trans70.5147144.4-60.4-9.7000118.9
42N32.8Very low32Very low131 Ų131123 Ų12370%0.70174%0.742SS**  cis-166.3172.18.4-118.7-5.7000108.7
43I35.2Very low32.1Very low124 Ų124125.1 Ų125.164%0.63675%0.75SS**  cis-168.6169-12.4-158.2173.5000109.2
44L32.8Very low31.9Very low124 Ų124129.1 Ų129.165%0.64975%0.752SS**  trans61.6116.4168.3-71165.9000117.2
45I32.4Very low31.7Very low132 Ų132132 Ų13268%0.67776%0.762SS**  cis72128.628-29.5156000111
46H30Very low31.4Very low162 Ų162127.7 Ų127.775%0.7576%0.756SS**  cis-146.7166.140.8-73-102.1000116.3
47S30.1Very low31.4Very low129 Ų129127.4 Ų127.490%0.90276%0.762SS**  trans-146.2158.6155.1-74.90000110
48S30.6Very low31.3Very low119 Ų119129.1 Ų129.183%0.83277%0.765SS**  trans-112.4139.8-158.854.20000116.5
49G30.5Very low31.1Very low68 Ų68133.3 Ų133.370%0.70177%0.773SS**  trans-87.3-152156.600000112.1
50P47Very low31.2Very low139 Ų139131.2 Ų131.290%0.90377%0.77SS**  cis-132.8-160.515.243.5-26.1000114.2
51G31.5Very low31.4Very low64 Ų64133 Ų13366%0.6678%0.775SS**  trans-171.9-177.7169.400000114.4
52K32.1Very low31.2Very low207 Ų207132.9 Ų132.990%0.977%0.774SS**  trans64.9137.8175.1-59.1-174.2176.9-1770118.9
53C29.1Very low30.9Very low133 Ų133132.8 Ų132.890%0.89977%0.774SS**  159.6166.5114.2-89.80000114.2
54K26.7Very low30.4Very low202 Ų202136 Ų13688%0.87878%0.783SS**  trans-138142178.5172.8-177.9174.1-177.40111.7
55V27.3Very low30.1Very low137 Ų137135.6 Ų135.683%0.8379%0.79SS**  trans-153.2147.3175.3173.20000106.6
56A26.6Very low29.8Very low83 Ų83133.1 Ų133.169%0.68680%0.797SS**  cis-164.3-146.9-25.400000108.1
57S28.1Very low29.5Very low99 Ų99129.3 Ų129.369%0.69280%0.801SS**  trans55.899.7163.5-68.50000121.7
58E28.6Very low29.5Very low179 Ų179130.3 Ų130.384%0.83680%0.797SS**  71.1149.1112.8-73.8171.413000125
59E26.2Very low29.5Very low191 Ų191134 Ų13489%0.89380%0.801SS**  trans61.2131164.3-70.9-168.6125.400123.7
60C30.8Very low29.4Very low117 Ų117138.7 Ų138.779%0.79181%0.805SS**  trans-92.4161.3152.5-92.80000107.6
61P38.2Very low29Very low107 Ų107137.1 Ų137.170%0.69579%0.794SS**  -158.9-178.354.844.6-23.3000119.1
62L29.2Very low28.8Very low143 Ų143140.7 Ų140.775%0.74979%0.794SS**  trans66.4124.6145.7-76.9161000122.2
63D26.1Very low28.5Very low129 Ų129137.5 Ų137.569%0.6978%0.782SS**  81.9145.8126.6-83.71.9000126.5
64F24.7Very low28.4Very low191 Ų191139 Ų13984%0.83878%0.776SS**  trans82.3167.2149.9-102.8-98.3000122.1
65C26.6Very low28.3Very low116 Ų116137.6 Ų137.678%0.78477%0.772SS**  trans-112.3145.7-150.2-57.60000115.7
66G25Very low28.9Very low81 Ų81136.7 Ų136.784%0.83577%0.769SS**  trans85178.513500000118
67G25.7Very low28.8Very low81 Ų81140.5 Ų140.584%0.83577%0.773SS**  trans116.6105.1176.800000113.9
68N28.3Very low29.5Very low151 Ų151140.2 Ų140.281%0.80777%0.769SS**  trans-76.6148.9159.4-56.7-71.3000109.1
69Q30.6Very low29.5Very low195 Ų195138.5 Ų138.591%0.91177%0.765SS**  176.6153.2118.7-94.5154115.500113.7
70E28.1Very low29.8Very low168 Ų168133.9 Ų133.979%0.78575%0.754SS**  trans-67.9179.5158.2-110.6-170.2123.400110.8
71P39.5Very low29.9Very low105 Ų105134.6 Ų134.668%0.68276%0.755SS**  cis-141.8157.434.549.9-31.1000114.1
72Q27.5Very low29.8Very low140 Ų140133.8 Ų133.865%0.65475%0.752SS**  93.1134.876.6-173.2177.7-25.700115.4
73E25.8Very low29.9Very low139 Ų139136 Ų13665%0.6576%0.758SS**  trans66.1161.5163.5-80.4177.7107.100118.5
74Q27.4Very low30.1Very low165 Ų165133.6 Ų133.677%0.77176%0.756SS**  cis-150.8166.88.4-136.1157.242.600112.5
75Q25.1Very low30.5Very low173 Ų173130.3 Ų130.381%0.80876%0.757SS**  trans-81.1172.4164.9-104-174.8-91.700111.1
76P39.3Very low30.7Very low117 Ų117129 Ų12976%0.7676%0.755SS**  cis-146.5-16730.941.6-18.5000118.3
77Q25Very low30.9Very low163 Ų163134 Ų13476%0.76276%0.761SS**  trans-68.9179.6166.7-82.5-87.7-5200113
78P43.1Very low31.1Very low94 Ų94133.1 Ų133.161%0.6175%0.752SS**  cis-147.2-1692345-23.9000119.1
79D27.7Very low31.2Very low143 Ų143135.6 Ų135.677%0.76576%0.756SS**  trans72.7148.8148.9-67.8-26.2000122.4
80S32.1Very low31.2Very low94 Ų94133.7 Ų133.766%0.65775%0.751SS**  cis-167.2158.6-21.562.60000113.4
81V32.9Very low31.2Very low132 Ų132134.2 Ų134.280%0.875%0.753SS**  trans55.1140.8136.5165.90000121.2
82S35.8Very low32.1Very low90 Ų90134.7 Ų134.763%0.62976%0.756SS**  cis-167.1156.2-20.1-87.10000108.9
83Q31.2Very low32Very low189 Ų189136.3 Ų136.388%0.88377%0.768SS**  171.9162.695.9-90.3-174.897.400108.7
84A31.3Very low32Very low79 Ų79135.1 Ų135.165%0.65377%0.77SS**  cis-167.6176.5-14.400000106.8
85S31.6Very low31.8Very low121 Ų121133.1 Ų133.185%0.84677%0.769SS**  cis-126.4-90.910.4-66.70000113.1
86A31.4Very low31.9Very low90 Ų90128.8 Ų128.874%0.74476%0.758SS**  cis-154.5178.5-3.900000111.3
87L30.2Very low31.2Very low186 Ų186133.3 Ų133.397%0.97476%0.762SS**  trans-86.1139.4-177.8-63.4164.9000111.9
88G28.8Very low31.3Very low62 Ų62132.5 Ų132.564%0.63976%0.762SS**  cis154.7126-14.400000114.5
89K31.9Very low30.3Very low203 Ų203133.1 Ų133.188%0.88377%0.768SS**  trans71.3150.8173.7-59.1178-179.7176.30115.5
90L28.8Very low30.6Very low154 Ų154131.6 Ų131.681%0.80677%0.768SS**  cis-154.7-169.4-8.2-117.1169.6000111.6
91Q27.9Very low30.3Very low179 Ų179134.5 Ų134.584%0.83678%0.776SS**  trans-63.4166.1-166.2-98.3-168.2-38.200119.4
92P58.4Low30Very low115 Ų115133.5 Ų133.575%0.74777%0.77SS**  trans-96.2163.3-17339.4-36.5000115.1
93L26.8Very low29.6Very low174 Ų174136.2 Ų136.291%0.91178%0.783SS**  trans-151.5160.3169.2-111.5169.5000115.2
94V25.8Very low29.3Very low114 Ų114131.9 Ų131.969%0.69177%0.773SS**  trans-92.3165.1-159.1172.40000113.5
95T23.7Very low29.1Very low123 Ų123134.2 Ų134.276%0.75578%0.779SS**  trans76.2124.215832.10000123.4
96S27.1Very low29.3Very low82 Ų82134.2 Ų134.257%0.57378%0.777SS**  trans4.7145.3137.759.80000122.6
97Y23Very low29Very low212 Ų212134.3 Ų134.383%0.83178%0.778SS**  -179.7159107.3-103.6-65.6000115.3
98L27.2Very low28.9Very low146 Ų146133.1 Ų133.176%0.76477%0.772SS**  trans66.5125.6148.6-68.5165.2000124.2
99C23.2Very low29Very low108 Ų108138.3 Ų138.373%0.7378%0.777SS**  trans47.1113.8130.6-63.70000124.4
100S32.9Very low28.8Very low111 Ų111135.9 Ų135.978%0.77677%0.769SS**  32.2122.6117-53.50000122.9
101D26.8Very low28.8Very low154 Ų154132 Ų13282%0.82475%0.754SS**  trans-144.9140.7136.6-92.1-41.2000106.7
102V26.3Very low28.8Very low111 Ų111130.5 Ų130.567%0.67375%0.751SS**  cis97.3113.638.7171.80000113.2
103T27.5Very low27.3Very low148 Ų148133.5 Ų133.591%0.90875%0.752SS**  trans-131.1146.5144450000108.2
104S25.5Very low27.5Very low97 Ų97131.4 Ų131.468%0.67874%0.741SS**  trans-142.3-167.2-166.158.40000112.1
105V25.7Very low27.5Very low128 Ų128134.5 Ų134.578%0.77675%0.748SS**  trans102.1135.5155.3-170.70000115.3
106P35.7Very low27.8Very low122 Ų122132 Ų13279%0.79275%0.746SS**  cis-121.7177.2-21.434.8-18.1000114.1
107A26.6Very low28Very low92 Ų92135.1 Ų135.176%0.7676%0.762SS**  trans-100.4168.8179.900000114.1
108N27.2Very low28.3Very low160 Ų160133 Ų13386%0.85676%0.764SS**  trans-146.3168.9133.4-140.8-22.2000111.9
109K30.5Very low28.5Very low172 Ų172133.9 Ų133.975%0.74877%0.768SS**  trans-119.5-174.5-165.7-26.4173-178.5173.30112.5
110E28.7Very low28.8Very low152 Ų152138 Ų13871%0.7177%0.773SS**  cis-154.3168.9-4.8-101.4-148.8-134.800106
111S28.5Very low28.6Very low72 Ų72141 Ų14150%0.50378%0.775SS.*  cis-174.2-158.4-24.265.70000107.2
112I28.7Very low28.7Very low148 Ų148138.7 Ų138.776%0.75977%0.771SS**  trans69.5130.8161.9-77.2166.1000115.8
113K25.9Very low28.7Very low177 Ų177139.8 Ų139.877%0.7778%0.778SS**  cis-162.8143.826.3-141.6167.9-171.4172.20114.5
114L31.1Very low28.7Very low131 Ų131141.2 Ų141.269%0.68678%0.779SS**  trans61.4140.6146.9-78.2168.4000125.8
115Q26.4Very low28.7Very low178 Ų178145.3 Ų145.383%0.83278%0.784SS**  trans60.4143.7153.3-72.2161.6-50.400119.1
116G28.9Very low28.8Very low70 Ų70143.4 Ų143.472%0.72278%0.777SS**  cis154.2158-1.300000110.1
117V30.7Very low28.4Very low148 Ų148145 Ų14590%0.89777%0.773SS**  cis-152164.2-2.6-173.60000108.5
118L31.3Very low28.4Very low169 Ų169151.2 Ų151.289%0.88578%0.777SS**  trans-85.5160.7-175.1-73.5145.7000115.9
119I31.3Very low28.5Very low163 Ų163151.3 Ų151.384%0.83678%0.776SS**  trans-132.7134.8171.2-62.7175.4000110.9
120K29.3Very low28.6Very low196 Ų196149.6 Ų149.685%0.85277%0.774SS**  trans-165.9130.3157.7-114.3165.5-173.41740115.3
121Q28.9Very low29.2Very low172 Ų172148.1 Ų148.180%0.80478%0.778SS**  trans68.1118.8136-168.4-178.7104.800123.1
122S27.1Very low29Very low107 Ų107149 Ų14975%0.74878%0.784SS**  172.8123.1128.555.60000110.9
123V26.7Very low28.8Very low134 Ų134147.1 Ų147.181%0.81278%0.784SS**  70.5127.785.8178.70000116
124L28Very low29Very low178 Ų178146 Ų14693%0.93279%0.786SS**  trans-147148.9169.5-106.6171.7000110.8
125K26.4Very low28.8Very low182 Ų182146.6 Ų146.679%0.79179%0.789SS**  trans-159.4119.8-172.2-165.8174-178.2178.60115.8
126S27.2Very low28.7Very low89 Ų89145.4 Ų145.462%0.62279%0.788SS**  trans64.6167.8152.777.70000120
127H27.9Very low28.6Very low154 Ų154146 Ų14671%0.71380%0.795SS**  cis-155.1140.510.9-109.6-49.6000114.6
128R26.3Very low28.5Very low223 Ų223143.1 Ų143.184%0.84280%0.795SS**  trans45.9172.5139.9-69-172.1173.4-168.3-0.1121
129I29.7Very low28.3Very low163 Ų163138.5 Ų138.584%0.83679%0.788SS**  cis-145.315929.4-65.8170.8000114.5
130L31.7Very low28.2Very low136 Ų136138.3 Ų138.371%0.71278%0.783SS**  trans-58.5171.4172.8-89.4164.9000117.4
131P40.4Very low28.4Very low120 Ų120136.8 Ų136.878%0.77978%0.777SS**  -150.3-167.96341-19.1000117.4
132S24.6Very low28.5Very low90 Ų90136.9 Ų136.963%0.62978%0.782SS**  -175.8143.9-51.5-78.20000111
133S25.7Very low28.7Very low109 Ų109139.2 Ų139.276%0.76279%0.785SS**  trans136.1141.7142.969.10000117.2
134L28.8Very low28.8Very low154 Ų154140.4 Ų140.481%0.80678%0.775SS**  trans60.8136.8169.2-45.8-178000117.8
135L28Very low28.9Very low143 Ų143142.4 Ų142.475%0.74977%0.77SS**  cis-153.1173.7-9.4-121.9171.1000111.1
136N24.9Very low29Very low153 Ų153143.4 Ų143.482%0.81878%0.778SS**  trans-67.4145.4-161.5-63.2-26.9000118.3
137G26.8Very low28.9Very low84 Ų84143.7 Ų143.787%0.86679%0.786SS**  trans85.7139.7135.800000118.4
138G28.3Very low28.8Very low87 Ų87144.4 Ų144.490%0.89779%0.793SS**  cis173.4124-7.600000113.2
139G26.3Very low28.9Very low71 Ų71142.3 Ų142.373%0.73279%0.793SS**  trans-143.3174.9166.500000109
140E30.2Very low28.8Very low159 Ų159142.7 Ų142.774%0.74380%0.796SS**  cis-126.4-157.9-4.2-56.6-179.2-178.900107.7
141F32.4Very low28.7Very low165 Ų165141.8 Ų141.872%0.72480%0.801SS**  cis-164.3165.336.4-79.6-82000110.3
142L31.5Very low28.2Very low173 Ų173139.7 Ų139.791%0.90680%0.8SS**  trans-126.3124.2142.5-82.7-180000109.5
143L30Very low28.5Very low156 Ų156138.8 Ų138.882%0.81781%0.806SS**  trans-148.386.4166-138.699.2000110.3
144R30.3Very low28.6Very low160 Ų160142.2 Ų142.260%0.60481%0.81SS**  trans-114.7137.2155.7-173.9179.8-75.5-128.66.2107.7S431 S434R144-S431 PolarHBondContact NH2-OG 3.08Å; R144-S434 PolarHBondContact NH1-OG 2.9Å; R144-S434 PolarHBondContact NH2-OG 2.67Å
145R28.9Very low28.4Very low220 Ų220142.6 Ų142.683%0.8381%0.811SS**  trans-96.3146.8175.9-63.4177.7172.9-156.2-3.2110
146Q28.9Very low28.5Very low203 Ų203145.2 Ų145.295%0.94982%0.817SS**  trans-122.2165.3134.8-100.9172.2-34.200107.7
147A24.6Very low28.6Very low95 Ų95143.2 Ų143.279%0.78582%0.815SS**  trans-132.9135.6-173.100000109.9
148I26.3Very low28.6Very low168 Ų168146.2 Ų146.286%0.86281%0.81SS**  trans-133.4142.7162-63.4-178.1000105.8
149E29.6Very low28.4Very low180 Ų180150.7 Ų150.784%0.84181%0.81SS**  trans-72140.6175.6-55.5166.9106.100110.1
150L27.7Very low28.5Very low171 Ų171152.9 Ų152.990%0.89581%0.814SS**  trans-145.5143.1155.3-89.6-170000113.1
151S28.5Very low28.3Very low117 Ų117149 Ų14982%0.81882%0.817SS**  trans-48149.3162.9178.60000112.8
152G29.6Very low28.1Very low75 Ų75146 Ų14677%0.77382%0.816SS**  trans-124.5141.1163.200000110.1
153G30.7Very low28Very low72 Ų72143 Ų14374%0.74281%0.806SS**  cis140.9171.10.400000111.5
154Q27.7Very low27.9Very low181 Ų181143.6 Ų143.685%0.84681%0.809SS**  trans-145132.9166.7-70.2-161.716.500111.7
155L26.4Very low27.8Very low161 Ų161139.7 Ų139.784%0.84382%0.819SS**  177.1159.2106.6-90.4172.3000109.7
156K29.9Very low27.6Very low198 Ų198135.3 Ų135.386%0.86182%0.822SS**  trans-133.5145.3176.4-75.4179.8178.8171.20110.3
157S25.9Very low27.5Very low111 Ų111129.3 Ų129.378%0.77682%0.815SS**  trans70.9154.7160.4-120.60000114.9
158L26.2Very low27.7Very low147 Ų147133.5 Ų133.577%0.7782%0.818SS**  cis-131.6160.79.7-85.6162.9000112
159M24.8Very low28.3Very low181 Ų181130.5 Ų130.589%0.89281%0.81SS**  trans-129131.9152.1-99.7-70.6-72.900107.9
160S28.4Very low28.2Very low117 Ų117130 Ų13082%0.81881%0.81SS**  trans-164.2138.3172.5-83.90000113.1
161G26.4Very low28.5Very low78 Ų78125.8 Ų125.880%0.80480%0.799SS**  trans151.3141.317800000110.3
162S28.8Very low29.2Very low101 Ų101125.7 Ų125.771%0.70680%0.795SS**  cis-160.3151.9-1.7-174.30000112.1
163T28.9Very low29.2Very low112 Ų112128 Ų12869%0.68779%0.794SS**  trans46.4125.5148.7470000122
164N28Very low29.2Very low167 Ų167131.9 Ų131.989%0.89380%0.798SS**  -165.7160.6100.4-87.6-29.4000110.1
165G26.8Very low29.3Very low78 Ų78126.5 Ų126.580%0.80479%0.791SS**  trans-167.8-177.2-174.900000115.3
166S26.6Very low29.4Very low128 Ų128126.9 Ų126.990%0.89579%0.793SS**  trans-171.8152.1179.456.50000112.4
167G26.8Very low29.3Very low78 Ų78121 Ų12180%0.80478%0.781SS**  trans105.2109.1153.500000118.4
168Q28Very low29.6Very low183 Ų183125.3 Ų125.386%0.85579%0.786SS**  trans-90.2173.3148.7-80.7-76.6-37.500108
169P39.8Very low29.9Very low105 Ų105126.8 Ų126.868%0.68279%0.786SS**  cis-147.6-167.325.735.9-10.5000117.7
170M27.5Very low30Very low170 Ų170125.1 Ų125.184%0.83778%0.78SS**  trans89.8134.3156.9-59-65-86.200120.7
171A32.3Very low30Very low81 Ų81123.9 Ų123.967%0.66978%0.777SS**  trans-106.9179.6157.400000109.1
172P44.5Very low30Very low115 Ų115125.2 Ų125.275%0.74777%0.774SS**  -160.4158.394.142.8-23.3000119.3
173V29.1Very low29.9Very low123 Ų123127.6 Ų127.675%0.74578%0.776SS**  78.4129129.5162.60000124.1
174N30.9Very low29.8Very low154 Ų154125.4 Ų125.482%0.82477%0.765SS**  trans64.7151.2153.9-68-4000122
175G28.9Very low29.9Very low68 Ų68118.9 Ų118.970%0.70174%0.737SS**  cis173.7179.3-600000117.1
176L29.5Very low30Very low170 Ų170120.4 Ų120.489%0.8974%0.736SS**  trans-26.4160171.2-80.272.5000119
177A27.6Very low30.1Very low73 Ų73117.3 Ų117.360%0.60372%0.724SS**  cis178.8-174.9-10.100000111.5
178K32.7Very low30.4Very low202 Ų202118 Ų11888%0.87872%0.715SS**  trans78.3156.7157.3-64.4170.3-177.21730117.8
179K32.1Very low30.4Very low178 Ų178115.6 Ų115.677%0.77471%0.706SS**  cis-175.8163.1-29.1-166.2-172.7176.4-169.80108.5
180L27.2Very low30Very low147 Ų147115.9 Ų115.977%0.7771%0.705SS**  trans89.5150.6158.1-53.6172.3000117.6
181A27.8Very low30Very low90 Ų90111.1 Ų111.174%0.74469%0.693SS**  cis-173.9140.7-30.900000111.3
182S26.5Very low29.8Very low106 Ų106113.4 Ų113.474%0.74170%0.699SS**  trans-167.7115.7144.7-1620000112.1
183M26.4Very low29.1Very low152 Ų152115.6 Ų115.675%0.74970%0.704SS**  trans54.2144.8133.5-55-51.1-92.100122.7
184S27.6Very low29Very low65 Ų65112.9 Ų112.946%0.45570%0.701SS.*  cis-170.7124.3-11.6168.80000113.5T842 S843S184-T842 VanDerWaalsContact O-CB 3.26Å; S184-T842 WeakPolarHBondContact O-CB 3.43Å; S184-T842 PolarHBondContact O-OG1 2.91Å; S184-S843 PolarHBondContact N-OG 3.17Å
185G28.6Very low28.8Very low31 Ų31113.6 Ų113.632%0.3270%0.704SS.*  trans77.5159.7170.200000114.5T842 S843 T844G185-T842 CarbonylContact O-C 3.37Å; G185-S843 CarbonylContact C-O 3.48Å; G185-S843 PolarHBondContact N-OG 2.8Å; G185-S843 CarbonylContact O-C 3.59Å; G185-S843 WeakPolarHBondContact O-CB 3.38Å; G185-S843 PolarHBondContact O-OG 3.31Å; G185-T844 PolarHBondContact O-OG1 2.82Å
186S29.8Very low28.9Very low110 Ų110119.6 Ų119.677%0.76971%0.711SS**  cis-160.2147.1-4.8-166.40000113.3S843S186-S843 PolarHBondContact N-O 2.68Å
187G28.5Very low29.8Very low63 Ų63116.9 Ų116.965%0.64970%0.704SS**  trans67.7110.2166.800000117.9
188C32.8Very low29.7Very low92 Ų92119.2 Ų119.262%0.62272%0.716SS**  cis86.6105.719.4-157.70000117.4Q845C188-Q845 WeakPolarHBondContact CA-O 3.29Å; C188-Q845 PolarHBondContact N-O 3.23Å; C188-Q845 VanDerWaalsContact N-O 3.14Å
189M28.5Very low29.6Very low132 Ų132114 Ų11465%0.6571%0.71SS**  -178.8125.5110-94-162.4-68.900116L846 G847M189-L846 CarbonylContact C-O 3.45Å; M189-L846 VanDerWaalsContact C-O 3.26Å; M189-L846 PolarHBondContact N-O 3.17Å; M189-G847 CarbonylContact O-C 3.54Å; M189-G847 WeakPolarHBondContact O-CA 3.2Å
190V30.1Very low29.3Very low111 Ų111111.8 Ų111.867%0.67371%0.712SS**  45.9129.6129.1-176.20000120.3
191A29.2Very low29.6Very low70 Ų70110.5 Ų110.558%0.57971%0.71SS**  cis-145.3-110.6-15.600000112.2
192V28.4Very low29.5Very low130 Ų130113 Ų11379%0.78871%0.711SS**  cis-156.6166.33.8-155.10000110
193N29.8Very low29.5Very low161 Ų161113.4 Ų113.486%0.86171%0.714SS**  trans-92.6172.2172.8-56.5-36.9000112.1
194G26.8Very low29.4Very low66 Ų66114.8 Ų114.868%0.6872%0.719SS**  cis167.9-175.3-2.200000113.6
195D26.6Very low29.9Very low168 Ų168116 Ų11690%0.89873%0.725SS**  trans74.5158.2154.2-63-46.3000125.5
196K31.4Very low29.7Very low194 Ų194122.2 Ų122.284%0.84375%0.746SS**  trans-124.8169.7174.7-112.6-179-179.8177.40106
197P47.8Very low29.4Very low114 Ų114123.1 Ų123.174%0.7474%0.742SS**  cis-155.7-146.642.144.6-21.1000114.9
198S26.1Very low29.2Very low121 Ų121127.7 Ų127.785%0.84675%0.751SS**  trans99154.8155.579.70000119.1
199A29.4Very low29.3Very low93 Ų93127.9 Ų127.977%0.76975%0.751SS**  trans-168.1153.5-171.200000111.2
200T27Very low29.2Very low132 Ų132128.7 Ų128.781%0.8176%0.757SS**  trans-160.1137.2170.221.80000112.1
201T32.1Very low28.9Very low119 Ų119129.7 Ų129.773%0.7376%0.758SS**  trans29.7157134.718.80000122.8
202D26Very low28.8Very low143 Ų143131 Ų13177%0.76576%0.764SS**  cis-159.3-1785.6-143.7-26.1000114
203S26.6Very low28.6Very low114 Ų114132.9 Ų132.980%0.79776%0.764SS**  trans9716115077.80000121.9
204Q24Very low28.3Very low182 Ų182129.8 Ų129.885%0.8575%0.751SS**  trans-152-169.3-158.7-130.8179.6-125.300107.7
205P39.6Very low28.2Very low91 Ų91135.2 Ų135.259%0.59176%0.756SS**  cis-141.2-169.3-15.326.80.3000116.1
206Q23.9Very low28.1Very low161 Ų161133.3 Ų133.375%0.75275%0.75SS**  trans96.2119.1149-49.9-155.318.100124.7
207N23.7Very low27.8Very low129 Ų129128.1 Ų128.169%0.6974%0.744SS**  51.2119127.2-55.9-36.3000126
208L23Very low26.7Very low158 Ų158128.8 Ų128.883%0.82775%0.746SS**  39.1159.9118-75.2170.3000123.2
209P36.4Very low26.8Very low97 Ų97130.3 Ų130.363%0.6374%0.743SS**  cis-139.4-170.7-6.143.4-24.8000117
210L24.9Very low26.7Very low149 Ų149131.7 Ų131.778%0.7875%0.747SS**  trans65.9156.8160-94.161.6000118.3
211D24.7Very low26.6Very low131 Ų131128.2 Ų128.270%0.70174%0.737SS**  cis-155.9162.5-3.8-133.4-20.4000111.9
212S26Very low26.6Very low98 Ų98130.2 Ų130.269%0.68574%0.738SS**  trans46.9158.6161.9-730000121.9
213E24.9Very low27.1Very low169 Ų169130 Ų13079%0.7974%0.736SS**  cis-158.7153.9-4.3-124.3-174.9-135.900112.6
214T23.8Very low27.9Very low96 Ų96128.3 Ų128.359%0.58972%0.722SS**  trans57144.3145.8-27.70000125.7
215F25Very low28.2Very low181 Ų181125.5 Ų125.579%0.79472%0.717SS**  trans82.7104.6156.3-75.1-59.7000125.2
216T23.6Very low27.7Very low127 Ų127129 Ų12978%0.77972%0.723SS**  35.5146.5129.357.30000126.1
217A25.3Very low27.9Very low86 Ų86128 Ų12871%0.71172%0.718SS**  trans106.998.4138.900000122.2
218T24.6Very low28.1Very low127 Ų127124.9 Ų124.978%0.77971%0.71SS**  32.5136.5127.731.40000126
219I29.3Very low28.3Very low154 Ų154124.2 Ų124.279%0.7971%0.706SS**  trans92.1104.9138.9-66.3162.6000122.1
220S25.6Very low27.9Very low121 Ų121129.2 Ų129.285%0.84671%0.713SS**  44.1138.7123.4-149.30000126.2
221G26.6Very low28Very low59 Ų59129.4 Ų129.461%0.60871%0.71SS**  trans98.3152.2150.600000117.4
222H30.9Very low28Very low161 Ų161129.7 Ų129.775%0.74571%0.705SS**  cis-161.8179.7-9.4-156.4-99.6000111
223I37.6Very low27.9Very low139 Ų139134 Ų13471%0.71371%0.714SS**  trans-78.2154.9176.1-29.2172.9000111.9
224P43.1Very low27.9Very low79 Ų79130.5 Ų130.551%0.51371%0.708SS.*  -160.9155.8122.539.3-19.3000121.5T602P224-T602 HydrophobicContact CG-CG2 4.2Å
225V30.3Very low27.9Very low122 Ų122131.8 Ų131.874%0.73972%0.72SS**  62.7132.3129.1175.60000125.5
226K28.5Very low27.9Very low166 Ų166127 Ų12772%0.72272%0.722SS**  170.5160.3123.6-96.2-149-177.2-81.90111.4
227E27.3Very low27.9Very low140 Ų140125.7 Ų125.765%0.65473%0.725SS**  cis179-177.8-29.1-130173.655.200108.2
228A29.4Very low28.7Very low62 Ų62126.8 Ų126.851%0.51272%0.724SS.*  cis-162.2170.6-6.700000111.1
229L26.6Very low28.8Very low144 Ų144128.3 Ų128.375%0.75472%0.722SS**  trans63.8170.3157.6-92.856000116.6
230R27.8Very low28.6Very low203 Ų203127.3 Ų127.377%0.76672%0.719SS**  cis-148.9-159.9-10.8-111.5-34.7175.5-155.3-5.4105.4
231Q27.8Very low28.7Very low153 Ų153126.3 Ų126.372%0.71571%0.708SS**  cis-166.4177.4-3.2-126.1175.7116.100106
232K25Very low28.6Very low137 Ų137131 Ų13160%0.59672%0.719SS**  cis-168.6162.3-6.7-157.5-176.8-174.6175.30108.5
233H24Very low28.5Very low189 Ų189127 Ų12788%0.87572%0.722SS**  trans64149161.3-64.1-39.7000119.5
234S24.7Very low28Very low94 Ų94128 Ų12866%0.65773%0.729SS**  cis-167.2140.9-17.751.90000114.2
235S23.9Very low27.1Very low123 Ų123131.5 Ų131.586%0.8674%0.743SS**  trans48.7130.3142.761.90000124.3
236G24.7Very low27Very low81 Ų81133 Ų13384%0.83575%0.751SS**  trans165.7122.6154.500000115.9
237A22.6Very low26.8Very low100 Ų100133.7 Ų133.783%0.82676%0.758SS**  trans-171.3-179.6173.900000108.7
238P43.1Very low27.4Very low108 Ų108131.9 Ų131.970%0.70176%0.758SS**  cis-134-152.3-5.131.5-5.8000113
239Q26Very low27.8Very low159 Ų159134.4 Ų134.474%0.74377%0.769SS**  trans77.6150.7164.9-61.5-177.827.600117.1
240N25.3Very low27.8Very low133 Ų133133.4 Ų133.471%0.71177%0.768SS**  cis-147.3-159.6-5.8-119.11.8000113
241T27Very low27.8Very low100 Ų100130 Ų13061%0.61377%0.765SS**  trans-106.1177.4-147.452.60000117.7
242D26.2Very low27.9Very low158 Ų158130.6 Ų130.685%0.84577%0.767SS**  trans74.9152.8153.4-51.7-50.6000121.5
243G27.4Very low28.2Very low78 Ų78128.7 Ų128.780%0.80477%0.772SS**  trans139.7117.6161.800000116.7
244N27.6Very low28.4Very low160 Ų160124.2 Ų124.286%0.85677%0.767SS**  trans-95.9157.2173.2-82.8-33.3000113
245N24Very low28.5Very low151 Ų151124.5 Ų124.581%0.80778%0.775SS**  trans8.2130.4155.7-65.1-66.7000120.9
246V28Very low28.7Very low153 Ų153126.4 Ų126.493%0.92778%0.775SS**  trans-154.8159.8131.6158.40000109.1
247E24.6Very low28.8Very low182 Ų182127.1 Ų127.185%0.8577%0.767SS**  trans-72.2169.1-173-92.7-176.488.200118.2
248P40.1Very low28.8Very low102 Ų102127.6 Ų127.666%0.66276%0.764SS**  trans-93.4-176.2-178.142.2-38.8000113.5
249P36.6Very low28Very low115 Ų115129.5 Ų129.575%0.74777%0.768SS**  -146.2139.59240.7-23.7000114.9
250V27.4Very low28Very low122 Ų122128.8 Ų128.874%0.73977%0.769SS**  70.8122.7101.1179.90000113.4
251L28.4Very low28.2Very low132 Ų132130.6 Ų130.669%0.69177%0.773SS**  cis-147.5150.244.9-72.4165.3000115.3
252H29.8Very low28.1Very low165 Ų165133.4 Ų133.476%0.76478%0.784SS**  trans55.7149.2130.9-62.9-177.8000123
253S30.5Very low28.2Very low98 Ų98131.8 Ų131.869%0.68578%0.776SS**  cis-162.8146.6-7.1-111.10000115.2
254A29Very low28.5Very low95 Ų95133.5 Ų133.579%0.78577%0.772SS**  trans57.3149.8132.300000122.7
255A26.8Very low28.3Very low99 Ų99133 Ų13382%0.81877%0.77SS**  cis-167.6171.6-2000000110.4
256L28.3Very low28.4Very low163 Ų163131.3 Ų131.385%0.85377%0.77SS**  trans-122.9138.8174.5-89.2167.8000112
257S26.5Very low28.2Very low97 Ų97129.7 Ų129.768%0.67876%0.76SS**  trans48.7129.2143.270.40000123
258S23.3Very low28.2Very low109 Ų109128.8 Ų128.876%0.76276%0.756SS**  trans100.4134.3132.8-62.60000122.8
259L25.6Very low27.5Very low148 Ų148131.6 Ų131.678%0.77576%0.76SS**  trans86.5124147.5-10374.6000123.1
260N26.6Very low26.9Very low144 Ų144131.6 Ų131.677%0.7776%0.758SS**  trans79.5157140.9-71.33.6000123.7
261H28.3Very low26.7Very low172 Ų172132.6 Ų132.680%0.79676%0.759SS**  trans-65.1157.8-179.6-77.6-95.9000112.7
262D24.2Very low26.4Very low158 Ų158131 Ų13185%0.84576%0.759SS**  -164.8-178.772.2-123-48000117.1
263N28.8Very low26.2Very low125 Ų125130.7 Ų130.767%0.66876%0.763SS**  trans-97.5155.9-169.9-17764.3000115.4
264P33Very low26Very low113 Ų113134.7 Ų134.773%0.73477%0.771SS**  trans-114.9152.2162.637.1-27.1000115.1
265N23.7Very low25.9Very low150 Ų150134.3 Ų134.380%0.80277%0.768SS**  trans-101.8163178.3-95.8-17000112.8
266S27Very low25.8Very low116 Ų116136.2 Ų136.281%0.81176%0.764SS**  trans146.2149.3141.5-700000112.8
267T24.7Very low25.8Very low119 Ų119135.2 Ų135.273%0.7376%0.759SS**  cis-163.2167.8-30.9-48.60000106.6
268E24.3Very low25.7Very low163 Ų163139.2 Ų139.276%0.76277%0.767SS**  trans72.4155.8161.6-59-161.6132.300118.5
269Q24.5Very low25.8Very low161 Ų161139.5 Ų139.575%0.75276%0.764SS**  cis-166.5-178.5-34.7-160.1175.392.800108.3
270V24.4Very low25.8Very low115 Ų115143.3 Ų143.370%0.69777%0.768SS**  trans85.899.8163.3-169.10000119.4
271N23.2Very low25.9Very low143 Ų143143.6 Ų143.677%0.76578%0.776SS**  trans40.9121.4133.7-60.6-5.6000123.7
272S22.5Very low25.8Very low98 Ų98138.4 Ų138.469%0.68577%0.769SS**  52.8122.8117.3-41.40000121.7
273N25.8Very low26Very low159 Ų159139.3 Ų139.385%0.8577%0.772SS**  -176179.2103.8-91.1-13.8000114
274E25.2Very low27.4Very low182 Ų182138.7 Ų138.785%0.8578%0.775SS**  trans-72.9167.7-164.5-57.9174.569.600118.4
275A26.7Very low28.1Very low87 Ų87139.5 Ų139.572%0.71978%0.78SS**  trans80.2127.5135.300000123
276D25Very low28.5Very low139 Ų139135.3 Ų135.374%0.74377%0.772SS**  trans36.1116.9142.9-81.6-24.7000123.5
277L28.2Very low29.1Very low141 Ų141134.1 Ų134.174%0.73876%0.764SS**  35.5107.4117.9-58.6173.8000119
278Q25.7Very low29.8Very low182 Ų182131.9 Ų131.985%0.8575%0.748SS**  175.5134.6112.4-94.5163.26700117.7
279T24.8Very low30.4Very low115 Ų115125.4 Ų125.471%0.70672%0.724SS**  49.2111.7125.4-48.60000123.8
280R26.1Very low30.8Very low228 Ų228127.2 Ų127.286%0.8673%0.733SS**  trans59.9114.1143.8-73.6-178.6161.3-164.1-5.1123.3
281T27.1Very low31.9Very low150 Ų150132.6 Ų132.692%0.9274%0.741SS**  19.6128.8119-40.70000121.7
282G27.9Very low32.8Very low63 Ų63132.1 Ų132.165%0.64975%0.745SS**  trans175.294.9155.400000121.8
283L27.4Very low33.1Very low177 Ų177130.8 Ų130.893%0.92775%0.747SS**  trans84.4148.1142.1-67.2124.4000125.3
284P58.2Low33.3Very low111 Ų111129.2 Ų129.272%0.72175%0.749SS**  trans-116.2-154.7-175.547.4-33000112.7
285P48.5Very low33.7Very low130 Ų130124.9 Ų124.984%0.84474%0.739SS**  cis-128.2-142.5-3.647-27.1000112.7
286G31.6Very low34.1Very low62 Ų62128.1 Ų128.164%0.63974%0.739SS**  cis168.9179.9200000114.2
287S39.8Very low34.5Very low92 Ų92129.8 Ų129.864%0.64374%0.742SS**  trans71.3156.5167.4-66.20000119.8H995S287-H995 WeakPolarHBondContact OG-CB 3.23Å; S287-H995 PolarHBondContact OG-CD2 2.82Å
288D39Very low34.6Very low72 Ų72126.7 Ų126.739%0.38574%0.744SS.*  cis-159.3166.7-19.9-176.436.6000111.2H995 V996 P997D288-H995 HydrophobicContact CB-CB 3.72Å; D288-H995 VanDerWaalsContact OD1-CB 3.22Å; D288-H995 WeakPolarHBondContact OD1-CB 3.37Å; D288-H995 IonicContact OD1-CG 3.7Å; D288-H995 IonicContact OD1-ND1 3.04Å; D288-H995 PolarHBondContact OD1-ND1 3.32Å; D288-H995 IonicContact OD2-CE1 3.69Å; D288-H995 IonicContact OD2-CG 2.73Å; D288-H995 IonicContact OD2-ND1 2.64Å; D288-H995 PolarHBondContact OD2-ND1 2.88Å; D288-V996 WeakPolarHBondContact CA-O 3.4Å; D288-V996 WeakPolarHBondContact OD1-CG2 3.49Å; D288-V996 PolarHBondContact OD1-N 2.78Å; D288-P997 VanDerWaalsContact O-CG 3.32Å; D288-P997 WeakPolarHBondContact O-CG 3.47Å
289G36.3Very low35Very low26 Ų26123.7 Ų123.727%0.26874%0.743SS.*  trans145.2129.7146.700000120.9P997G289-P997 WeakPolarHBondContact O-CA 3.41Å; G289-P997 WeakPolarHBondContact O-CB 3.22Å
290E34.2Very low36.2Very low199 Ų199123.6 Ų123.693%0.9374%0.744SS**  trans-32.4-166173.2-59.4-164.198.500124
291R45.9Very low36.4Very low228 Ų228121 Ų12186%0.8674%0.742SS**  trans-142.5142.9-169.6-161.8-160-171.6-175.95.6110.2
292P42.4Very low36.6Very low133 Ų133118.9 Ų118.986%0.86473%0.732SS**  -155.2172.2107.539.5-22.1000115.9
293G29.1Very low36.9Very low70 Ų70122.4 Ų122.472%0.72274%0.742SS**  trans132.5110.7149.300000119.2
294S29.4Very low37Very low127 Ų127118.7 Ų118.789%0.88874%0.736SS**  trans41.4145.1134.3-175.50000122.8
295S34.1Very low35.8Very low91 Ų91120 Ų12064%0.63674%0.743SS**  cis-179.3162.6-21.1-1700000109
296Q36.4Very low36.1Very low155 Ų155119.1 Ų119.172%0.72474%0.737SS**  trans68.9151.8167.4-49.1-167.656.800117.3
297Q33Very low36.1Very low174 Ų174124.4 Ų124.481%0.81375%0.745SS**  cis-158.7148.1-22.7-109.9176.723.900107.2
298G29.6Very low36.4Very low75 Ų75124.3 Ų124.377%0.77374%0.742SS**  trans162.581.2177.200000115.8
299S33.5Very low36.9Very low120 Ų120126.8 Ų126.884%0.83976%0.762SS**  trans-146.6160.2168.3-61.80000106.9
300P49.7Very low37.1Very low112 Ų112133.4 Ų133.473%0.72779%0.79SS**  cis-129.9-158.322.140.9-19.5000111.8
301Q31.3Very low37.9Very low175 Ų175129.6 Ų129.682%0.81878%0.783SS**  cis-153.91667.3-154.3153.2-13.600113.1
302C31.1Very low37.8Very low105 Ų105123.8 Ų123.871%0.70978%0.776SS**  trans-52.3160.1178.7-42.50000114.7
303T34Very low38Very low137 Ų137122.7 Ų122.784%0.8477%0.771SS**  -168.3174.465.238.80000114.8
304A31Very low39.3Very low99 Ų99123.6 Ų123.682%0.81877%0.767SS**  trans93.5122.1160.600000119.9
305T32Very low40.5Very low139 Ų139122 Ų12285%0.85376%0.755SS**  trans-132.1179172.820.30000107.6
306P54.7Low41.6Very low111 Ų111121.1 Ų121.172%0.72175%0.749SS**  cis-129.6174.2-22.537.5-22.1000113.5
307E31.4Very low43Very low173 Ų173119.2 Ų119.281%0.80874%0.744SS**  trans-175.2177.9142.7-105.4-60.475.300110.6
308P46.9Very low45.1Very low89 Ų89114.9 Ų114.958%0.57873%0.733SS**  trans-119.1177.4-134.942.1-24.6000115.3
309P48.8Very low47.8Very low125 Ų125116.7 Ų116.781%0.81272%0.724SS**PPolyproline II helixtrans-85.8151.5-170.933.4-36000115.3
310L41.5Very low50.2Low165 Ų165114.6 Ų114.686%0.86470%0.704SS**PPolyproline II helixtrans-79147.6173.9-69.4168.7000112.5
311P50.8Low51.9Low118 Ų118111.4 Ų111.477%0.76669%0.687SS**PPolyproline II helixtrans-80.6157.8-178.833.1-36.1000114.1
312C42.3Very low54.8Low106 Ų106107.7 Ų107.772%0.71667%0.669SS**PPolyproline II helixtrans-83.6139.6-172.2-52.80000114.4S314C312-S314 PolarHBondContact O-N 3.27Å
313S47.3Very low57.6Low110 Ų110106 Ų10677%0.76966%0.656SS**SBendtrans-751.5177.2-390000115.6S315S313-S315 VanDerWaalsContact C-N 3.28Å; S313-S315 PolarHBondContact O-N 3.01Å; S313-S315 VanDerWaalsContact O-N 3.13Å
314S55.6Low60.4Low89 Ų89106.4 Ų106.462%0.62264%0.642SS**THydrogen-bonded Turntrans-78.56-161.347.90000116.4C312C312-S314 PolarHBondContact O-N 3.27Å
315S56.4Low63.3Low93 Ų93107.1 Ų107.165%0.6563%0.628SS**THydrogen-bonded Turntrans-81.4-34.6-180550000113.8S313S313-S315 VanDerWaalsContact C-N 3.28Å; S313-S315 PolarHBondContact O-N 3.01Å; S313-S315 VanDerWaalsContact O-N 3.13Å
316S57.2Low66.3Low73 Ų73107.8 Ų107.851%0.5162%0.615SS.*Hα-helixtrans-70.7-48.6-172.8-160.10000112.6S318 L319 D320S316-S318 PolarHBondContact O-N 3.41Å; S316-L319 PolarHBondContact O-N 3.3Å; S316-L319 VanDerWaalsContact O-N 3.11Å; S316-D320 PolarHBondContact O-N 3.17Å; S316-D320 VanDerWaalsContact O-N 3.12Å
317D65.1Low68.1Low115 Ų115106.6 Ų106.662%0.61561%0.606SS**Hα-helixtrans-60.2-32.3-177.6-67.1-44.8000113A321D317-A321 VanDerWaalsContact O-CB 3.27Å; D317-A321 WeakPolarHBondContact O-CB 3.24Å; D317-A321 PolarHBondContact O-N 3.41Å
318S77.8Confident71.1Confident84 Ų84101.1 Ų101.159%0.58759%0.59SS**Hα-helixtrans-67.8-42.8177.4-174.50000112S316 A321 H322S316-S318 PolarHBondContact O-N 3.41Å; S318-A321 PolarHBondContact O-N 3.46Å; S318-H322 PolarHBondContact O-N 2.88Å; S318-H322 VanDerWaalsContact O-N 3.08Å
319L84.6Confident73.4Confident112 Ų112101.8 Ų101.859%0.58659%0.589SS**Hα-helixtrans-64.4-46.8176.2-178.960000110.8S316 A321 H322 V323S316-L319 PolarHBondContact O-N 3.3Å; S316-L319 VanDerWaalsContact O-N 3.11Å; L319-A321 VanDerWaalsContact C-N 3.34Å; L319-A321 PolarHBondContact O-N 2.85Å; L319-H322 PolarHBondContact O-N 3.39Å; L319-V323 WeakPolarHBondContact O-CG2 3.36Å; L319-V323 PolarHBondContact O-N 2.88Å
320D83.9Confident75.7Confident76 Ų76100 Ų10041%0.40657%0.572SS.*Hα-helixtrans-66.3-34.4178.6-82.2-15.6000112.7S316 V323 R324S316-D320 PolarHBondContact O-N 3.17Å; S316-D320 VanDerWaalsContact O-N 3.12Å; D320-V323 PolarHBondContact O-N 3.26Å; D320-R324 WeakPolarHBondContact O-CB 3.32Å; D320-R324 WeakPolarHBondContact O-CG 3.29Å; D320-R324 PolarHBondContact O-N 3.06Å
321A87.1Confident78.1Confident45 Ų4596 Ų9637%0.37256%0.558SS.*Hα-helixtrans-61.5-46.8171.900000111.7D317 S318 L319 V323 R324 E325D317-A321 VanDerWaalsContact O-CB 3.27Å; D317-A321 WeakPolarHBondContact O-CB 3.24Å; D317-A321 PolarHBondContact O-N 3.41Å; S318-A321 PolarHBondContact O-N 3.46Å; L319-A321 VanDerWaalsContact C-N 3.34Å; L319-A321 PolarHBondContact O-N 2.85Å; A321-V323 VanDerWaalsContact C-N 3.34Å; A321-V323 PolarHBondContact O-N 3.28Å; A321-R324 PolarHBondContact O-N 3.44Å; A321-E325 PolarHBondContact O-N 3.25Å
322H90.4Very high80.3Confident97 Ų9798 Ų9845%0.44956%0.555SS.*Hα-helixtrans-67.4-32.2176.6176.9-113.2000112.6S318 L319 R326S318-H322 PolarHBondContact O-N 2.88Å; S318-H322 VanDerWaalsContact O-N 3.08Å; L319-H322 PolarHBondContact O-N 3.39Å; H322-R326 WeakPolarHBondContact O-CB 3.33Å; H322-R326 PolarHBondContact O-N 3.44Å
323V91.1Very high82.9Confident70 Ų70100.6 Ų100.642%0.42455%0.549SS..Hα-helixtrans-64.8-44.9170.7170.50000111.1L319 D320 A321 R326 T327L319-V323 WeakPolarHBondContact O-CG2 3.36Å; L319-V323 PolarHBondContact O-N 2.88Å; D320-V323 PolarHBondContact O-N 3.26Å; A321-V323 VanDerWaalsContact C-N 3.34Å; A321-V323 PolarHBondContact O-N 3.28Å; V323-R326 PolarHBondContact O-N 2.87Å; V323-T327 WeakPolarHBondContact O-CG2 3.48Å; V323-T327 PolarHBondContact O-N 2.95Å; V323-T327 PolarHBondContact O-OG1 3.44Å
324R91.8Very high85.2Confident145 Ų14599.9 Ų99.955%0.54753%0.534SS..Hα-helixtrans-63-42.5175.7-72.9-176.6-64.1-99.81.9112.7D320 A321 T327 A328D320-R324 WeakPolarHBondContact O-CB 3.32Å; D320-R324 WeakPolarHBondContact O-CG 3.29Å; D320-R324 PolarHBondContact O-N 3.06Å; A321-R324 PolarHBondContact O-N 3.44Å; R324-T327 PolarHBondContact O-N 3.05Å; R324-T327 PolarHBondContact O-OG1 3.46Å; R324-A328 WeakPolarHBondContact O-CB 3.3Å; R324-A328 PolarHBondContact O-N 3Å
325E93.6Very high87Confident115 Ų11598.1 Ų98.154%0.53753%0.525SS..Hα-helixtrans-61.6-45.7173.7-173.2-174.1-171.700110.8A321 T327 A328 L329A321-E325 PolarHBondContact O-N 3.25Å; E325-T327 PolarHBondContact O-N 3.37Å; E325-A328 PolarHBondContact O-N 3.49Å; E325-L329 HydrophobicContact CG-CD1 4.07Å; E325-L329 HydrophobicContact CG-CG 4.46Å; E325-L329 WeakPolarHBondContact O-CB 3.44Å; E325-L329 WeakPolarHBondContact O-CG 3.46Å; E325-L329 PolarHBondContact O-N 3.31Å
326R93.6Very high88.9Confident153 Ų15398.2 Ų98.258%0.57752%0.515SS*.Hα-helixtrans-65.5-35.8-179.5-166.9176.3-16987.2-3.1112.6H322 V323 N330H322-R326 WeakPolarHBondContact O-CB 3.33Å; H322-R326 PolarHBondContact O-N 3.44Å; V323-R326 PolarHBondContact O-N 2.87Å; R326-N330 PolarHBondContact O-N 2.9Å; R326-N330 VanDerWaalsContact O-N 3.14Å; R326-N330 PolarHBondContact O-ND2 2.96Å
327T93.1Very high90.8Very high86 Ų8698.5 Ų98.553%0.52851%0.51SS..Hα-helixtrans-71.6-40.3173.753.10000111.7V323 R324 E325 L329 N330 S331V323-T327 WeakPolarHBondContact O-CG2 3.48Å; V323-T327 PolarHBondContact O-N 2.95Å; V323-T327 PolarHBondContact O-OG1 3.44Å; R324-T327 PolarHBondContact O-N 3.05Å; R324-T327 PolarHBondContact O-OG1 3.46Å; E325-T327 PolarHBondContact O-N 3.37Å; T327-L329 PolarHBondContact O-N 2.99Å; T327-N330 PolarHBondContact O-N 3.08Å; T327-S331 WeakPolarHBondContact O-CB 3.47Å; T327-S331 PolarHBondContact O-N 3.44Å
328A94.8Very high92.2Very high58 Ų5897.3 Ų97.348%0.47950%0.5SS..Hα-helixtrans-60.4-4417400000112.6R324 E325 N330 S331 K332R324-A328 WeakPolarHBondContact O-CB 3.3Å; R324-A328 PolarHBondContact O-N 3Å; E325-A328 PolarHBondContact O-N 3.49Å; A328-N330 PolarHBondContact O-N 3.45Å; A328-S331 PolarHBondContact O-N 2.97Å; A328-K332 PolarHBondContact O-N 3.3Å
329L95.6Very high92.9Very high103 Ų10395.2 Ų95.254%0.53949%0.486SS..Hα-helixtrans-63.7-38.3175.5-72.8172.4000112.6E325 T327 R333E325-L329 HydrophobicContact CG-CD1 4.07Å; E325-L329 HydrophobicContact CG-CG 4.46Å; E325-L329 WeakPolarHBondContact O-CB 3.44Å; E325-L329 WeakPolarHBondContact O-CG 3.46Å; E325-L329 PolarHBondContact O-N 3.31Å; T327-L329 PolarHBondContact O-N 2.99Å; L329-R333 WeakPolarHBondContact O-CB 3.48Å; L329-R333 PolarHBondContact O-N 2.95Å; L329-R333 VanDerWaalsContact O-N 3.08Å
330N95.4Very high93.4Very high87 Ų8796.3 Ų96.347%0.46548%0.482SS..Hα-helixtrans-69.6-38.9174.5-79.7-66.8000112.2R326 T327 A328 R333 Q334R326-N330 PolarHBondContact O-N 2.9Å; R326-N330 VanDerWaalsContact O-N 3.14Å; R326-N330 PolarHBondContact O-ND2 2.96Å; T327-N330 PolarHBondContact O-N 3.08Å; A328-N330 PolarHBondContact O-N 3.45Å; N330-R333 PolarHBondContact O-N 3.3Å; N330-Q334 WeakPolarHBondContact O-CB 3.34Å; N330-Q334 PolarHBondContact O-N 3.02Å
331S93.7Very high94Very high81 Ų8198.2 Ų98.257%0.56649%0.492SS*.Hα-helixtrans-60.3-48.1173.7-179.70000111.7T327 A328 R333 Q334 A335T327-S331 WeakPolarHBondContact O-CB 3.47Å; T327-S331 PolarHBondContact O-N 3.44Å; A328-S331 PolarHBondContact O-N 2.97Å; S331-R333 VanDerWaalsContact C-N 3.28Å; S331-R333 PolarHBondContact O-N 3.32Å; S331-Q334 WeakPolarHBondContact O-CB 3.48Å; S331-Q334 PolarHBondContact O-N 3.12Å; S331-Q334 VanDerWaalsContact O-N 3.13Å; S331-A335 PolarHBondContact O-N 2.66Å
332K95.9Very high94.1Very high161 Ų161101.5 Ų101.570%0.750%0.499SS*.Hα-helixtrans-57.6-39.8174.3-175.5174.1-178.5174.40112.6A328 E336A328-K332 PolarHBondContact O-N 3.3Å; K332-E336 PolarHBondContact O-N 2.81Å; K332-E336 VanDerWaalsContact O-N 3.13Å
333R96.2Very high94.2Very high159 Ų159103.3 Ų103.360%0.650%0.502SS*.Hα-helixtrans-69.2-38.5176.5-174-178.9-177.8-174.31.7112.5L329 N330 S331 E336 I337L329-R333 WeakPolarHBondContact O-CB 3.48Å; L329-R333 PolarHBondContact O-N 2.95Å; L329-R333 VanDerWaalsContact O-N 3.08Å; N330-R333 PolarHBondContact O-N 3.3Å; S331-R333 VanDerWaalsContact C-N 3.28Å; S331-R333 PolarHBondContact O-N 3.32Å; R333-E336 PolarHBondContact O-N 2.62Å; R333-I337 HydrophobicContact CG-CD1 4.15Å; R333-I337 VanDerWaalsContact O-CG1 3.31Å; R333-I337 WeakPolarHBondContact O-CG1 3.48Å; R333-I337 PolarHBondContact O-N 3.34Å
334Q95.7Very high94.4Very high96 Ų96104.9 Ų104.945%0.44951%0.508SS..Hα-helixtrans-62.7-48.6175.9-179.562.617.600110.5N330 S331 E336 I337 E338N330-Q334 WeakPolarHBondContact O-CB 3.34Å; N330-Q334 PolarHBondContact O-N 3.02Å; S331-Q334 WeakPolarHBondContact O-CB 3.48Å; S331-Q334 PolarHBondContact O-N 3.12Å; S331-Q334 VanDerWaalsContact O-N 3.13Å; Q334-E336 VanDerWaalsContact C-N 3.3Å; Q334-E336 PolarHBondContact O-N 2.79Å; Q334-I337 WeakPolarHBondContact O-CB 3.38Å; Q334-I337 PolarHBondContact O-N 3.04Å; Q334-E338 WeakPolarHBondContact CG-OE1 3.43Å; Q334-E338 PolarHBondContact NE2-OE1 2.7Å; Q334-E338 WeakPolarHBondContact O-CG 3.35Å; Q334-E338 PolarHBondContact O-N 3.03Å
335A93.9Very high94.4Very high52 Ų52104.4 Ų104.443%0.4351%0.506SS..Hα-helixtrans-59.3-37.2175.100000112.8S331 S339S331-A335 PolarHBondContact O-N 2.66Å; A335-S339 WeakPolarHBondContact O-CB 3.46Å; A335-S339 PolarHBondContact O-N 3.31Å
336E96.7Very high94.1Very high94 Ų94103.6 Ų103.644%0.43950%0.501SS..Hα-helixtrans-63.3-42.8173.2-163.9-139.4121.300111.9K332 R333 Q334 R340K332-E336 PolarHBondContact O-N 2.81Å; K332-E336 VanDerWaalsContact O-N 3.13Å; R333-E336 PolarHBondContact O-N 2.62Å; Q334-E336 VanDerWaalsContact C-N 3.3Å; Q334-E336 PolarHBondContact O-N 2.79Å; E336-R340 WeakPolarHBondContact O-CB 3.42Å; E336-R340 WeakPolarHBondContact O-CD 3.5Å; E336-R340 WeakPolarHBondContact O-CG 3.32Å; E336-R340 PolarHBondContact O-N 3.4Å; E336-R340 WeakPolarHBondContact OE1-CD 3.48Å; E336-R340 IonicContact OE1-CZ 3.3Å; E336-R340 IonicContact OE1-NE 3.71Å; E336-R340 IonicContact OE1-NH1 3.85Å; E336-R340 PolarHBondContact OE1-NH1 2.97Å
337I96.1Very high94.1Very high80 Ų80104.7 Ų104.741%0.4151%0.505SS..Hα-helixtrans-65.7-43.3178.5-70165.3000111R333 Q334 R340 L341R333-I337 HydrophobicContact CG-CD1 4.15Å; R333-I337 VanDerWaalsContact O-CG1 3.31Å; R333-I337 WeakPolarHBondContact O-CG1 3.48Å; R333-I337 PolarHBondContact O-N 3.34Å; Q334-I337 WeakPolarHBondContact O-CB 3.38Å; Q334-I337 PolarHBondContact O-N 3.04Å; I337-R340 CarbonylContact O-C 3.59Å; I337-R340 WeakPolarHBondContact O-CB 3.33Å; I337-R340 PolarHBondContact O-N 2.72Å; I337-L341 WeakPolarHBondContact O-CB 3.11Å; I337-L341 PolarHBondContact O-N 3Å
338E94.6Very high94.1Very high89 Ų89105.2 Ų105.242%0.41650%0.504SS..Hα-helixtrans-64.8-46.4176.3-72.6165.1179.900111.5Q334 R340 L341 Q342Q334-E338 WeakPolarHBondContact CG-OE1 3.43Å; Q334-E338 PolarHBondContact NE2-OE1 2.7Å; Q334-E338 WeakPolarHBondContact O-CG 3.35Å; Q334-E338 PolarHBondContact O-N 3.03Å; E338-R340 PolarHBondContact O-N 3.03Å; E338-L341 CarbonylContact O-C 3.59Å; E338-L341 WeakPolarHBondContact O-CA 3.38Å; E338-L341 WeakPolarHBondContact O-CB 3.35Å; E338-L341 PolarHBondContact O-N 2.92Å; E338-Q342 WeakPolarHBondContact O-CG 3.42Å; E338-Q342 PolarHBondContact O-N 2.87Å
339S93.5Very high93.8Very high40 Ų40103.3 Ų103.328%0.2849%0.485SS..Hα-helixtrans-60.3-34.4174.8-165.10000111.9A335 R343A335-S339 WeakPolarHBondContact O-CB 3.46Å; A335-S339 PolarHBondContact O-N 3.31Å; S339-R343 WeakPolarHBondContact O-CG 3.45Å; S339-R343 VanDerWaalsContact O-CZ 3.27Å; S339-R343 PolarHBondContact O-N 3.04Å; S339-R343 VanDerWaalsContact O-N 3.13Å; S339-R343 PolarHBondContact O-NH1 2.86Å; S339-R343 PolarHBondContact OG-NH1 2.92Å
340R95.9Very high93.6Very high135 Ų135101 Ų10151%0.50948%0.475SS..Hα-helixtrans-71.2-39.9171.3-74.9164.861.4163.81112.4E336 I337 E338 R343 L344E336-R340 WeakPolarHBondContact O-CB 3.42Å; E336-R340 WeakPolarHBondContact O-CD 3.5Å; E336-R340 WeakPolarHBondContact O-CG 3.32Å; E336-R340 PolarHBondContact O-N 3.4Å; E336-R340 WeakPolarHBondContact OE1-CD 3.48Å; E336-R340 IonicContact OE1-CZ 3.3Å; E336-R340 IonicContact OE1-NE 3.71Å; E336-R340 IonicContact OE1-NH1 3.85Å; E336-R340 PolarHBondContact OE1-NH1 2.97Å; I337-R340 CarbonylContact O-C 3.59Å; I337-R340 WeakPolarHBondContact O-CB 3.33Å; I337-R340 PolarHBondContact O-N 2.72Å; E338-R340 PolarHBondContact O-N 3.03Å; R340-R343 PolarHBondContact O-N 3.16Å; R340-L344 WeakPolarHBondContact O-CB 3.47Å; R340-L344 VanDerWaalsContact O-CG 3.31Å; R340-L344 WeakPolarHBondContact O-CG 3.22Å; R340-L344 PolarHBondContact O-N 3.48Å
341L95.7Very high93.6Very high116 Ų116101.3 Ų101.361%0.60748%0.48SS*.Hα-helixtrans-63.4-44.8176.2-179.663.4000111.1I337 E338 L344 R345I337-L341 WeakPolarHBondContact O-CB 3.11Å; I337-L341 PolarHBondContact O-N 3Å; E338-L341 CarbonylContact O-C 3.59Å; E338-L341 WeakPolarHBondContact O-CA 3.38Å; E338-L341 WeakPolarHBondContact O-CB 3.35Å; E338-L341 PolarHBondContact O-N 2.92Å; L341-L344 PolarHBondContact O-N 2.88Å; L341-R345 WeakPolarHBondContact O-CB 3.42Å; L341-R345 PolarHBondContact O-N 3.27Å
342Q89.3Confident93.4Very high114 Ų114102.6 Ų102.653%0.53348%0.477SS..Hα-helixtrans-57.1-51.1172.4-71.2169.9-11.300111.2E338 L344 R345 K346E338-Q342 WeakPolarHBondContact O-CG 3.42Å; E338-Q342 PolarHBondContact O-N 2.87Å; Q342-L344 VanDerWaalsContact C-N 3.28Å; Q342-L344 PolarHBondContact O-N 3.18Å; Q342-R345 PolarHBondContact O-N 3.42Å; Q342-K346 WeakPolarHBondContact O-CG 3.48Å; Q342-K346 PolarHBondContact O-N 3.44Å
343R92.9Very high93.2Very high135 Ų13596 Ų9651%0.50945%0.453SS..Hα-helixtrans-58.5-37.5175.9-78.7-171.4-71.2-771.6112.9S339 R340 R347S339-R343 WeakPolarHBondContact O-CG 3.45Å; S339-R343 VanDerWaalsContact O-CZ 3.27Å; S339-R343 PolarHBondContact O-N 3.04Å; S339-R343 VanDerWaalsContact O-N 3.13Å; S339-R343 PolarHBondContact O-NH1 2.86Å; S339-R343 PolarHBondContact OG-NH1 2.92Å; R340-R343 PolarHBondContact O-N 3.16Å; R343-R347 WeakPolarHBondContact O-CB 3.15Å; R343-R347 VanDerWaalsContact O-CG 3.22Å; R343-R347 WeakPolarHBondContact O-CG 3.18Å; R343-R347 PolarHBondContact O-N 3.45Å; R343-R347 VanDerWaalsContact O-N 3.14Å
344L94.9Very high93Very high104 Ų10493.7 Ų93.755%0.54545%0.447SS..Hα-helixtrans-72-38.9176.1-72.5170.2000112.4R340 L341 Q342 R347 L348R340-L344 WeakPolarHBondContact O-CB 3.47Å; R340-L344 VanDerWaalsContact O-CG 3.31Å; R340-L344 WeakPolarHBondContact O-CG 3.22Å; R340-L344 PolarHBondContact O-N 3.48Å; L341-L344 PolarHBondContact O-N 2.88Å; Q342-L344 VanDerWaalsContact C-N 3.28Å; Q342-L344 PolarHBondContact O-N 3.18Å; L344-R347 PolarHBondContact O-N 3.44Å; L344-L348 WeakPolarHBondContact O-CB 3.42Å; L344-L348 PolarHBondContact O-N 3.16Å
345R91.1Very high92.9Very high134 Ų13494 Ų9451%0.50645%0.449SS..Hα-helixtrans-59.6-54.2173.5168.2168.6168.1-164.3-10.1110.7L341 Q342 R347 L348 Q349L341-R345 WeakPolarHBondContact O-CB 3.42Å; L341-R345 PolarHBondContact O-N 3.27Å; Q342-R345 PolarHBondContact O-N 3.42Å; R345-R347 VanDerWaalsContact C-N 3.33Å; R345-R347 PolarHBondContact O-N 2.85Å; R345-L348 WeakPolarHBondContact O-CA 3.06Å; R345-L348 WeakPolarHBondContact O-CB 3.37Å; R345-L348 PolarHBondContact O-N 3.46Å; R345-Q349 PolarHBondContact O-N 2.72Å; R345-Q349 PolarHBondContact O-OE1 3.45Å
346K88.3Confident92.8Very high98 Ų9893.2 Ų93.243%0.42644%0.438SS..Hα-helixtrans-58.7-41.4177.7-60.5-164.8-168.8-145.50112.1Q342 L348 Q349 V350 D439Q342-K346 WeakPolarHBondContact O-CG 3.48Å; Q342-K346 PolarHBondContact O-N 3.44Å; K346-L348 PolarHBondContact O-N 3.19Å; K346-Q349 VanDerWaalsContact CA-OE1 3.24Å; K346-Q349 PolarHBondContact O-N 2.64Å; K346-V350 WeakPolarHBondContact O-CG2 3.43Å; K346-V350 PolarHBondContact O-N 3.32Å; K346-D439 WeakPolarHBondContact CD-OD2 3.25Å; K346-D439 WeakPolarHBondContact CE-OD2 3.46Å; K346-D439 IonicContact NZ-OD2 2.88Å; K346-D439 PolarHBondContact NZ-OD2 3.03Å
347R92.4Very high92.6Very high177 Ų17792.8 Ų92.867%0.66844%0.436SS*.Hα-helixtrans-63.9-36.7173.4-74.3174.568-170.62113.3R343 L344 R345 V350 V351R343-R347 WeakPolarHBondContact O-CB 3.15Å; R343-R347 VanDerWaalsContact O-CG 3.22Å; R343-R347 WeakPolarHBondContact O-CG 3.18Å; R343-R347 PolarHBondContact O-N 3.45Å; R343-R347 VanDerWaalsContact O-N 3.14Å; L344-R347 PolarHBondContact O-N 3.44Å; R345-R347 VanDerWaalsContact C-N 3.33Å; R345-R347 PolarHBondContact O-N 2.85Å; R347-V350 PolarHBondContact O-N 2.77Å; R347-V351 WeakPolarHBondContact O-CG2 3.44Å; R347-V351 PolarHBondContact O-N 3.22Å; R347-V351 VanDerWaalsContact O-N 3.08Å
348L92.9Very high92.4Very high96 Ų9694.8 Ų94.850%0.50344%0.439SS..Hα-helixtrans-68.8-42.8176.2-178.961.2000111.6L344 R345 K346 V350 V351 Q352L344-L348 WeakPolarHBondContact O-CB 3.42Å; L344-L348 PolarHBondContact O-N 3.16Å; R345-L348 WeakPolarHBondContact O-CA 3.06Å; R345-L348 WeakPolarHBondContact O-CB 3.37Å; R345-L348 PolarHBondContact O-N 3.46Å; K346-L348 PolarHBondContact O-N 3.19Å; L348-V350 VanDerWaalsContact C-N 3.31Å; L348-V350 PolarHBondContact O-N 3.04Å; L348-V351 PolarHBondContact O-N 3.16Å; L348-V351 VanDerWaalsContact O-N 3.17Å; L348-Q352 HydrophobicContact CD1-CG 4.31Å; L348-Q352 HydrophobicContact CG-CG 4.45Å; L348-Q352 WeakPolarHBondContact O-CB 3.38Å; L348-Q352 VanDerWaalsContact O-CG 3.32Å; L348-Q352 WeakPolarHBondContact O-CG 3.5Å; L348-Q352 PolarHBondContact O-N 3.45Å
349Q90.1Very high92.3Very high19 Ų1994.6 Ų94.69%0.08944%0.438CS..Hα-helixtrans-55.9-44.4172-75.5150.2-70.400111R345 K346 V351 Q352 A353 A435 F436R345-Q349 PolarHBondContact O-N 2.72Å; R345-Q349 PolarHBondContact O-OE1 3.45Å; K346-Q349 VanDerWaalsContact CA-OE1 3.24Å; K346-Q349 PolarHBondContact O-N 2.64Å; Q349-V351 PolarHBondContact O-N 3.07Å; Q349-Q352 PolarHBondContact O-N 3.09Å; Q349-A353 WeakPolarHBondContact O-CB 3.36Å; Q349-A353 PolarHBondContact O-N 2.93Å; Q349-A435 PolarHBondContact NE2-O 3.14Å; Q349-F436 HydrophobicContact CB-CE2 4.03Å; Q349-F436 HydrophobicContact CB-CZ 3.91Å
350V91.5Very high92.1Very high55 Ų5593.8 Ų93.833%0.33343%0.431SS..Hα-helixtrans-62.9-40.4175.8173.80000112.6K346 R347 L348 K354 F436K346-V350 WeakPolarHBondContact O-CG2 3.43Å; K346-V350 PolarHBondContact O-N 3.32Å; R347-V350 PolarHBondContact O-N 2.77Å; L348-V350 VanDerWaalsContact C-N 3.31Å; L348-V350 PolarHBondContact O-N 3.04Å; V350-K354 HydrophobicContact CG1-CD 4.12Å; V350-K354 WeakPolarHBondContact O-CB 3.49Å; V350-K354 WeakPolarHBondContact O-CG 3.28Å; V350-K354 PolarHBondContact O-N 2.86Å; V350-K354 VanDerWaalsContact O-N 3.09Å; V350-F436 HydrophobicContact CB-CZ 4.25Å; V350-F436 HydrophobicContact CG2-CE1 3.72Å; V350-F436 HydrophobicContact CG2-CZ 3.55Å
351V94.1Very high91.9Very high92 Ų9292.3 Ų92.356%0.55843%0.43SS*.Hα-helixtrans-68.5-37.9176.51710000111.3R347 L348 Q349 Q355R347-V351 WeakPolarHBondContact O-CG2 3.44Å; R347-V351 PolarHBondContact O-N 3.22Å; R347-V351 VanDerWaalsContact O-N 3.08Å; L348-V351 PolarHBondContact O-N 3.16Å; L348-V351 VanDerWaalsContact O-N 3.17Å; Q349-V351 PolarHBondContact O-N 3.07Å; V351-Q355 VanDerWaalsContact O-CB 3.31Å; V351-Q355 WeakPolarHBondContact O-CB 3.46Å; V351-Q355 PolarHBondContact O-N 3.3Å
352Q90.8Very high91.7Very high108 Ų10893.6 Ų93.651%0.50543%0.433SS..Hα-helixtrans-67.6-49.1177.3-74.3172-18.900111.8L348 Q349 K354 Q355 V356L348-Q352 HydrophobicContact CD1-CG 4.31Å; L348-Q352 HydrophobicContact CG-CG 4.45Å; L348-Q352 WeakPolarHBondContact O-CB 3.38Å; L348-Q352 VanDerWaalsContact O-CG 3.32Å; L348-Q352 WeakPolarHBondContact O-CG 3.5Å; L348-Q352 PolarHBondContact O-N 3.45Å; Q349-Q352 PolarHBondContact O-N 3.09Å; Q352-K354 PolarHBondContact O-N 3.24Å; Q352-Q355 CarbonylContact O-C 3.6Å; Q352-Q355 WeakPolarHBondContact O-CA 3.48Å; Q352-Q355 WeakPolarHBondContact O-CB 3.42Å; Q352-Q355 PolarHBondContact O-N 2.95Å; Q352-V356 PolarHBondContact O-N 2.88Å
353A90.6Very high91.6Very high24 Ų2492.6 Ų92.620%0.19843%0.428CS..Hα-helixtrans-59.5-47.3176.600000111.9Q349 Q355 V356 E357 A432 F436Q349-A353 WeakPolarHBondContact O-CB 3.36Å; Q349-A353 PolarHBondContact O-N 2.93Å; A353-Q355 PolarHBondContact O-N 3.39Å; A353-V356 PolarHBondContact O-N 3.25Å; A353-V356 VanDerWaalsContact O-N 3.14Å; A353-E357 WeakPolarHBondContact O-CB 3.4Å; A353-E357 PolarHBondContact O-N 2.95Å; A353-A432 HydrophobicContact CB-CB 3.97Å; A353-F436 HydrophobicContact CB-CE2 3.8Å
354K92.3Very high91.3Very high109 Ų10989.6 Ų89.647%0.47442%0.422SS..Hα-helixtrans-65.8-18.6175.2-69.8-176.4176.5-174.20113.6V350 Q352 R358V350-K354 HydrophobicContact CG1-CD 4.12Å; V350-K354 WeakPolarHBondContact O-CB 3.49Å; V350-K354 WeakPolarHBondContact O-CG 3.28Å; V350-K354 PolarHBondContact O-N 2.86Å; V350-K354 VanDerWaalsContact O-N 3.09Å; Q352-K354 PolarHBondContact O-N 3.24Å; K354-R358 WeakPolarHBondContact O-CB 3.48Å; K354-R358 VanDerWaalsContact O-CG 3.3Å; K354-R358 WeakPolarHBondContact O-CG 3.41Å; K354-R358 VanDerWaalsContact O-CZ 3.27Å; K354-R358 PolarHBondContact O-N 3.48Å; K354-R358 PolarHBondContact O-NE 3.32Å; K354-R358 PolarHBondContact O-NH1 3.09Å
355Q93.4Very high91Very high104 Ų10485.9 Ų85.949%0.48641%0.409SS..Hα-helixtrans-83.8-37.7171.9-175.558.423.400112V351 Q352 A353 H359V351-Q355 VanDerWaalsContact O-CB 3.31Å; V351-Q355 WeakPolarHBondContact O-CB 3.46Å; V351-Q355 PolarHBondContact O-N 3.3Å; Q352-Q355 CarbonylContact O-C 3.6Å; Q352-Q355 WeakPolarHBondContact O-CA 3.48Å; Q352-Q355 WeakPolarHBondContact O-CB 3.42Å; Q352-Q355 PolarHBondContact O-N 2.95Å; A353-Q355 PolarHBondContact O-N 3.39Å; Q355-H359 VanDerWaalsContact O-CB 3.27Å; Q355-H359 WeakPolarHBondContact O-CB 3.24Å; Q355-H359 PolarHBondContact O-N 3.36Å
356V91.9Very high90.8Very high35 Ų3581.1 Ų81.121%0.21240%0.401CS..Hα-helixtrans-62.7-48.3170.8170.30000110.4Q352 A353 R358 H359 V360 N428 L429Q352-V356 PolarHBondContact O-N 2.88Å; A353-V356 PolarHBondContact O-N 3.25Å; A353-V356 VanDerWaalsContact O-N 3.14Å; V356-R358 PolarHBondContact O-N 3.15Å; V356-H359 WeakPolarHBondContact O-CB 3.5Å; V356-H359 PolarHBondContact O-N 3.36Å; V356-H359 VanDerWaalsContact O-N 3.1Å; V356-V360 HydrophobicContact CG1-CG2 4.39Å; V356-V360 WeakPolarHBondContact O-CG2 2.97Å; V356-V360 PolarHBondContact O-N 3.48Å; V356-N428 HydrophobicContact CG1-CB 3.79Å; V356-L429 HydrophobicContact CG1-CD2 4.05Å; V356-L429 HydrophobicContact CG1-CG 4.38Å
357E92.6Very high90.6Very high84 Ų8477.4 Ų77.439%0.39339%0.385SS..Hα-helixtrans-52.3-56.6176.4-172-147.8147.300111.3A353 H359 V360 Q361A353-E357 WeakPolarHBondContact O-CB 3.4Å; A353-E357 PolarHBondContact O-N 2.95Å; E357-H359 VanDerWaalsContact C-N 3.29Å; E357-H359 PolarHBondContact O-N 3.33Å; E357-V360 PolarHBondContact O-N 3.29Å; E357-Q361 WeakPolarHBondContact O-CB 3.38Å; E357-Q361 VanDerWaalsContact O-CG 3.28Å; E357-Q361 WeakPolarHBondContact O-CG 3.42Å; E357-Q361 PolarHBondContact O-N 2.7Å; E357-Q361 PolarHBondContact OE1-NE2 3.4Å
358R92.8Very high90.2Very high122 Ų12272.7 Ų72.746%0.4637%0.373SS..Hα-helixtrans-60.5-35.6176-74.9-175.3-128.5112.6-1113.1K354 V356 Q362K354-R358 WeakPolarHBondContact O-CB 3.48Å; K354-R358 VanDerWaalsContact O-CG 3.3Å; K354-R358 WeakPolarHBondContact O-CG 3.41Å; K354-R358 VanDerWaalsContact O-CZ 3.27Å; K354-R358 PolarHBondContact O-N 3.48Å; K354-R358 PolarHBondContact O-NE 3.32Å; K354-R358 PolarHBondContact O-NH1 3.09Å; V356-R358 PolarHBondContact O-N 3.15Å; R358-Q362 VanDerWaalsContact O-CB 3.24Å; R358-Q362 WeakPolarHBondContact O-CB 3.39Å; R358-Q362 PolarHBondContact O-N 3.31Å
359H91Very high89.7Confident86 Ų8673.2 Ų73.240%0.39838%0.376SS..Hα-helixtrans-66.8-47.7177.7-171.778000111.1Q355 V356 E357 Q361 Q362 Q363Q355-H359 VanDerWaalsContact O-CB 3.27Å; Q355-H359 WeakPolarHBondContact O-CB 3.24Å; Q355-H359 PolarHBondContact O-N 3.36Å; V356-H359 WeakPolarHBondContact O-CB 3.5Å; V356-H359 PolarHBondContact O-N 3.36Å; V356-H359 VanDerWaalsContact O-N 3.1Å; E357-H359 VanDerWaalsContact C-N 3.29Å; E357-H359 PolarHBondContact O-N 3.33Å; H359-Q361 PolarHBondContact O-N 3.41Å; H359-Q362 PolarHBondContact O-N 3.37Å; H359-Q363 PolarHBondContact CE1-NE2 3.06Å; H359-Q363 PolarHBondContact NE2-NE2 3.2Å; H359-Q363 VanDerWaalsContact O-CG 3.25Å; H359-Q363 WeakPolarHBondContact O-CG 3.3Å; H359-Q363 PolarHBondContact O-N 3.26Å
360V90.3Very high89.3Confident23 Ų2375.1 Ų75.114%0.13939%0.392CS..Hα-helixtrans-62.3-44.1176.8174.90000110.8V356 E357 Q362 Q363 L364 L429V356-V360 HydrophobicContact CG1-CG2 4.39Å; V356-V360 WeakPolarHBondContact O-CG2 2.97Å; V356-V360 PolarHBondContact O-N 3.48Å; E357-V360 PolarHBondContact O-N 3.29Å; V360-Q362 VanDerWaalsContact C-N 3.35Å; V360-Q362 PolarHBondContact O-N 2.04Å; V360-Q363 PolarHBondContact O-N 2.82Å; V360-L364 HydrophobicContact CG1-CD1 3.91Å; V360-L364 HydrophobicContact CG1-CG 4.43Å; V360-L364 WeakPolarHBondContact O-CB 3.38Å; V360-L364 VanDerWaalsContact O-CG 3.32Å; V360-L364 WeakPolarHBondContact O-CG 3.4Å; V360-L364 PolarHBondContact O-N 2.76Å; V360-L429 HydrophobicContact CG1-CD1 4.49Å
361Q90.5Very high88.6Confident104 Ų10472.6 Ų72.649%0.48638%0.377SS..Hα-helixtrans-57.3-44.4172.6-72.1165.8-1.500112.2E357 H359 G365E357-Q361 WeakPolarHBondContact O-CB 3.38Å; E357-Q361 VanDerWaalsContact O-CG 3.28Å; E357-Q361 WeakPolarHBondContact O-CG 3.42Å; E357-Q361 PolarHBondContact O-N 2.7Å; E357-Q361 PolarHBondContact OE1-NE2 3.4Å; H359-Q361 PolarHBondContact O-N 3.41Å; Q361-G365 PolarHBondContact O-N 2.83Å
362Q91.6Very high87.9Confident143 Ų14371.2 Ų71.267%0.66837%0.366SS*.Hα-helixtrans-67.2-40.1179-174.81789.600112.5R358 H359 V360 G366R358-Q362 VanDerWaalsContact O-CB 3.24Å; R358-Q362 WeakPolarHBondContact O-CB 3.39Å; R358-Q362 PolarHBondContact O-N 3.31Å; H359-Q362 PolarHBondContact O-N 3.37Å; V360-Q362 VanDerWaalsContact C-N 3.35Å; V360-Q362 PolarHBondContact O-N 2.04Å; Q362-G366 PolarHBondContact O-N 3.05Å
363Q88.8Confident87.2Confident93 Ų9369.8 Ų69.844%0.43537%0.367SS..Hα-helixtrans-67.9-42.3177-64.7-71.412.200111.2H359 V360 G366 F367 L421H359-Q363 PolarHBondContact CE1-NE2 3.06Å; H359-Q363 PolarHBondContact NE2-NE2 3.2Å; H359-Q363 VanDerWaalsContact O-CG 3.25Å; H359-Q363 WeakPolarHBondContact O-CG 3.3Å; H359-Q363 PolarHBondContact O-N 3.26Å; V360-Q363 PolarHBondContact O-N 2.82Å; Q363-G366 PolarHBondContact O-N 3.11Å; Q363-F367 WeakPolarHBondContact O-CB 3.43Å; Q363-F367 PolarHBondContact O-N 3.37Å; Q363-L421 HydrophobicContact CB-CD1 3.82Å; Q363-L421 HydrophobicContact CB-CG 4.39Å
364L86.5Confident86.4Confident71 Ų7173.6 Ų73.637%0.37238%0.377SS..Hα-helixtrans-60.4-46.9173.5-75.2168.3000111.5V360 F367 L368 L421V360-L364 HydrophobicContact CG1-CD1 3.91Å; V360-L364 HydrophobicContact CG1-CG 4.43Å; V360-L364 WeakPolarHBondContact O-CB 3.38Å; V360-L364 VanDerWaalsContact O-CG 3.32Å; V360-L364 WeakPolarHBondContact O-CG 3.4Å; V360-L364 PolarHBondContact O-N 2.76Å; L364-F367 PolarHBondContact O-N 3.48Å; L364-L368 WeakPolarHBondContact O-CB 3.42Å; L364-L368 VanDerWaalsContact O-CG 3.31Å; L364-L368 WeakPolarHBondContact O-CG 3.43Å; L364-L368 PolarHBondContact O-N 2.77Å; L364-L421 HydrophobicContact CD2-CD2 3.48Å; L364-L421 VanDerWaalsContact CD2-CD2 3.48Å; L364-L421 HydrophobicContact CG-CD2 3.93Å
365G87.1Confident85.3Confident27 Ų2771.1 Ų71.128%0.27837%0.368SS..Hα-helixtrans-58.7-50.7175.500000112.4Q361 F367 L368 D369Q361-G365 PolarHBondContact O-N 2.83Å; G365-F367 VanDerWaalsContact C-N 3.3Å; G365-F367 PolarHBondContact O-N 2.75Å; G365-L368 PolarHBondContact O-N 2.9Å; G365-D369 WeakPolarHBondContact O-CB 3.24Å; G365-D369 PolarHBondContact O-N 3.01Å
366G86.9Confident84.2Confident34 Ų3475.1 Ų75.135%0.35138%0.379SS..Hα-helixtrans-61.8-34.2177.300000113.9Q362 Q363 S370Q362-G366 PolarHBondContact O-N 3.05Å; Q363-G366 PolarHBondContact O-N 3.11Å; G366-S370 VanDerWaalsContact O-CB 3.26Å; G366-S370 WeakPolarHBondContact O-CB 3.44Å; G366-S370 PolarHBondContact O-N 3.14Å; G366-S370 PolarHBondContact O-OG 3.44Å
367F84.9Confident82.9Confident20 Ų2076.2 Ų76.29%0.08839%0.392CS..Hα-helixtrans-68.2-45.2173177.1-95.3000112Q363 L364 G365 S370 A371 P415 E417 L418 L421Q363-F367 WeakPolarHBondContact O-CB 3.43Å; Q363-F367 PolarHBondContact O-N 3.37Å; L364-F367 PolarHBondContact O-N 3.48Å; G365-F367 VanDerWaalsContact C-N 3.3Å; G365-F367 PolarHBondContact O-N 2.75Å; F367-S370 PolarHBondContact O-N 2.96Å; F367-A371 WeakPolarHBondContact O-CB 3.34Å; F367-A371 PolarHBondContact O-N 3.01Å; F367-P415 HydrophobicContact CE2-CB 4.48Å; F367-P415 HydrophobicContact CZ-CB 4.4Å; F367-P415 HydrophobicContact CZ-CG 4.26Å; F367-E417 HydrophobicContact CD2-CB 4.33Å; F367-E417 HydrophobicContact CE2-CB 4Å; F367-L418 HydrophobicContact CD1-CD1 4.16Å; F367-L418 HydrophobicContact CE1-CB 4.16Å; F367-L418 HydrophobicContact CE1-CD1 3.96Å; F367-L418 HydrophobicContact CE1-CD2 4.02Å; F367-L418 HydrophobicContact CE1-CG 4.28Å; F367-L418 HydrophobicContact CE2-CB 4.09Å; F367-L418 HydrophobicContact CZ-CB 3.73Å; F367-L418 HydrophobicContact CZ-CD1 4.4Å; F367-L418 HydrophobicContact CZ-CD2 4.2Å; F367-L418 HydrophobicContact CZ-CG 4.33Å; F367-L421 HydrophobicContact CB-CD1 4.22Å
368L84Confident81.4Confident77 Ų7774.6 Ų74.640%0.40340%0.398SS..Hα-helixtrans-63.4-46.8177.2-72.5169.5000111.6L364 G365 S370 A371 L372 L405L364-L368 WeakPolarHBondContact O-CB 3.42Å; L364-L368 VanDerWaalsContact O-CG 3.31Å; L364-L368 WeakPolarHBondContact O-CG 3.43Å; L364-L368 PolarHBondContact O-N 2.77Å; G365-L368 PolarHBondContact O-N 2.9Å; L368-S370 VanDerWaalsContact C-N 3.27Å; L368-S370 PolarHBondContact O-N 3Å; L368-A371 PolarHBondContact O-N 2.85Å; L368-L372 WeakPolarHBondContact O-CB 3.21Å; L368-L372 WeakPolarHBondContact O-CG 3.4Å; L368-L372 PolarHBondContact O-N 3.1Å; L368-L405 HydrophobicContact CD2-CD2 4.18Å
369D82.4Confident79.7Confident108 Ų10873.1 Ų73.158%0.57841%0.406SS*.Hα-helixtrans-58.3-40.5174.4-77.6-25.7000111.5G365 S373G365-D369 WeakPolarHBondContact O-CB 3.24Å; G365-D369 PolarHBondContact O-N 3.01Å; D369-S373 WeakPolarHBondContact O-CB 3.5Å; D369-S373 PolarHBondContact O-N 3.03Å; D369-S373 PolarHBondContact O-OG 3.48Å
370S81.4Confident78Confident59 Ų5977.5 Ų77.541%0.41342%0.419SS..Hα-helixtrans-68.5-39.8176.3-620000112.4G366 F367 L368 R374G366-S370 VanDerWaalsContact O-CB 3.26Å; G366-S370 WeakPolarHBondContact O-CB 3.44Å; G366-S370 PolarHBondContact O-N 3.14Å; G366-S370 PolarHBondContact O-OG 3.44Å; F367-S370 PolarHBondContact O-N 2.96Å; L368-S370 VanDerWaalsContact C-N 3.27Å; L368-S370 PolarHBondContact O-N 3Å; S370-R374 WeakPolarHBondContact O-CB 3.28Å; S370-R374 VanDerWaalsContact O-CG 3.24Å; S370-R374 WeakPolarHBondContact O-CG 3.06Å; S370-R374 PolarHBondContact O-N 2.89Å; S370-R374 PolarHBondContact O-NE 3.4Å
371A77.1Confident76.2Confident2 Ų285.5 Ų85.52%0.01745%0.452CS..Hα-helixtrans-65.6-48.3175.800000111.7F367 L368 S373 R374 L375 L405 F408F367-A371 WeakPolarHBondContact O-CB 3.34Å; F367-A371 PolarHBondContact O-N 3.01Å; L368-A371 PolarHBondContact O-N 2.85Å; A371-S373 VanDerWaalsContact C-N 3.32Å; A371-S373 PolarHBondContact O-N 2.95Å; A371-R374 PolarHBondContact O-N 3.09Å; A371-L375 WeakPolarHBondContact O-CG 3.31Å; A371-L375 PolarHBondContact O-N 2.88Å; A371-L405 HydrophobicContact CB-CD1 4.12Å; A371-F408 HydrophobicContact CB-CE1 4.35Å
372L78.3Confident74.3Confident63 Ų6385.6 Ų85.633%0.3346%0.464SS..Hα-helixtrans-62.8-38.1176.2-68.2170.1000111.8L368 L375 R376 L405L368-L372 WeakPolarHBondContact O-CB 3.21Å; L368-L372 WeakPolarHBondContact O-CG 3.4Å; L368-L372 PolarHBondContact O-N 3.1Å; L372-L375 PolarHBondContact O-N 3.09Å; L372-R376 WeakPolarHBondContact O-CB 3.4Å; L372-R376 PolarHBondContact O-N 2.89Å; L372-L405 HydrophobicContact CD2-CB 4.45Å; L372-L405 HydrophobicContact CD2-CD2 4.39Å
373S77.3Confident72.2Confident77 Ų7787.6 Ų87.654%0.53847%0.473SS..Hα-helixtrans-65.7-41.3174.1-64.30000112.4D369 A371 R376 A377D369-S373 WeakPolarHBondContact O-CB 3.5Å; D369-S373 PolarHBondContact O-N 3.03Å; D369-S373 PolarHBondContact O-OG 3.48Å; A371-S373 VanDerWaalsContact C-N 3.32Å; A371-S373 PolarHBondContact O-N 2.95Å; S373-R376 PolarHBondContact O-N 2.65Å; S373-A377 WeakPolarHBondContact O-CB 3.23Å; S373-A377 PolarHBondContact O-N 2.98Å
374R73.5Confident70.2Confident104 Ų10487.8 Ų87.839%0.39249%0.491SS..Hα-helixtrans-61.1-45.2174.6-76.2177.7-73.8-153.76.8111.1S370 A371 R376 A377 G378 E417S370-R374 WeakPolarHBondContact O-CB 3.28Å; S370-R374 VanDerWaalsContact O-CG 3.24Å; S370-R374 WeakPolarHBondContact O-CG 3.06Å; S370-R374 PolarHBondContact O-N 2.89Å; S370-R374 PolarHBondContact O-NE 3.4Å; A371-R374 PolarHBondContact O-N 3.09Å; R374-R376 PolarHBondContact O-N 3.31Å; R374-A377 PolarHBondContact O-N 3.18Å; R374-G378 PolarHBondContact O-N 2.85Å; R374-E417 IonicContact CZ-OE2 3.67Å; R374-E417 IonicContact NH1-OE1 2.64Å; R374-E417 IonicContact NH1-OE2 3.7Å; R374-E417 PolarHBondContact NH1-OE2 2.86Å; R374-E417 IonicContact NH2-OE2 4Å; R374-E417 PolarHBondContact NH2-OE2 3.2Å
375L69.3Low68.2Low57 Ų5788.7 Ų88.730%0.29851%0.509SS..Hα-helixtrans-60.2-45.1174.6-69.9165.2000112.2A371 L372 A377 G378 S379 L405 F408A371-L375 WeakPolarHBondContact O-CG 3.31Å; A371-L375 PolarHBondContact O-N 2.88Å; L372-L375 PolarHBondContact O-N 3.09Å; L375-A377 VanDerWaalsContact C-N 3.28Å; L375-A377 PolarHBondContact O-N 3.03Å; L375-G378 PolarHBondContact O-N 3.38Å; L375-S379 PolarHBondContact O-N 3Å; L375-L405 HydrophobicContact CD1-CB 4.19Å; L375-L405 HydrophobicContact CD1-CD1 4.41Å; L375-F408 HydrophobicContact CD2-CB 4.41Å
376R69.1Low66.4Low188 Ų18893.5 Ų93.571%0.70954%0.535SS*.Hα-helixtrans-73.4-14.8178.3-163.8171.1-173.7167.13.5114.2L372 S373 R374 R380L372-R376 WeakPolarHBondContact O-CB 3.4Å; L372-R376 PolarHBondContact O-N 2.89Å; S373-R376 PolarHBondContact O-N 2.65Å; R374-R376 PolarHBondContact O-N 3.31Å; R376-R380 PolarHBondContact O-NE 2.69Å
377A65.5Low64.3Low58 Ų58101.1 Ų101.148%0.47956%0.561SS.*Hα-helixtrans-84.3-43.817100000111.6S373 R374 L375 S379 R380S373-A377 WeakPolarHBondContact O-CB 3.23Å; S373-A377 PolarHBondContact O-N 2.98Å; R374-A377 PolarHBondContact O-N 3.18Å; L375-A377 VanDerWaalsContact C-N 3.28Å; L375-A377 PolarHBondContact O-N 3.03Å; A377-S379 VanDerWaalsContact C-N 3.3Å; A377-S379 PolarHBondContact O-N 3.38Å; A377-R380 PolarHBondContact O-N 3.28Å; A377-R380 VanDerWaalsContact O-N 3.11Å
378G60.2Low62.3Low50 Ų50105.5 Ų105.552%0.51559%0.594SS.*Hα-helixtrans-56.2-43177.300000112.9R374 L375 R380 K381R374-G378 PolarHBondContact O-N 2.85Å; L375-G378 PolarHBondContact O-N 3.38Å; G378-R380 PolarHBondContact O-N 2.81Å; G378-K381 PolarHBondContact O-N 3.4Å
379S57.5Low60.2Low92 Ų92106.9 Ų106.964%0.64362%0.617SS**THydrogen-bonded Turntrans-58.8-16177.7-173.20000115.3L375 A377L375-S379 PolarHBondContact O-N 3Å; A377-S379 VanDerWaalsContact C-N 3.3Å; A377-S379 PolarHBondContact O-N 3.38Å
380R56.7Low58Low178 Ų178106.2 Ų106.267%0.67263%0.627SS**THydrogen-bonded Turntrans-104.913.3-176.8-77-172.3-77.7-175.70.1114.5R376 A377 G378R376-R380 PolarHBondContact O-NE 2.69Å; A377-R380 PolarHBondContact O-N 3.28Å; A377-R380 VanDerWaalsContact O-N 3.11Å; G378-R380 PolarHBondContact O-N 2.81Å
381K52.3Low56Low190 Ų190115.4 Ų115.483%0.82665%0.652SS**SBendtrans-101.44.6170.6-77.8-167.1170.7-170.80114.5G378G378-K381 PolarHBondContact O-N 3.4Å
382S49Very low54.3Low106 Ų106126.3 Ų126.374%0.74169%0.693SS**SBendtrans-98.6-6-176.1-161.60000115.2A384S382-A384 PolarHBondContact O-N 3.07Å
383E48.5Very low52.3Low185 Ų185130 Ų13086%0.86472%0.719SS**  trans-100.469.3179-69.3-177.6118.400110.7
384A46.2Very low50.4Low98 Ų98130 Ų13081%0.8173%0.73SS**  trans-149.740.3177.400000112.8S382S382-A384 PolarHBondContact O-N 3.07Å
385A45.3Very low48.6Very low90 Ų90136.2 Ų136.274%0.74475%0.754SS**  trans-134.4132.5172.800000109.9
386P48.4Very low47.3Very low128 Ų128142.2 Ų142.283%0.83178%0.78SS**  trans-78.6161.4-177.332-35.1000113.2
387H44.3Very low45.9Very low194 Ų194145 Ų14590%0.89879%0.792SS**  trans-73.2138.7-172.2-52.2-95.3000114.9
388S41.5Very low45.2Very low111 Ų111147.1 Ų147.178%0.77680%0.803SS**  trans-166.7133.6134.9610000111.9
389A40.7Very low44.6Very low106 Ų106149.8 Ų149.888%0.87682%0.815SS**  trans61.6149.2172.600000117
390A35.3Very low44.3Very low95 Ų95149.5 Ų149.579%0.78581%0.806SS**  cis-147.9166.2-20.500000109.7
391W39.3Very low44Very low251 Ų251145 Ų14595%0.95180%0.802SS**  trans-78.9143.9-174.6-61.774.4000113.3
392R42.3Very low44Very low232 Ų232146.6 Ų146.688%0.87580%0.802SS**  170.5165.9123.6-89.7-76.5-144.6-115.7-2.3111.4
393T35.8Very low44.5Very low141 Ų141145 Ų14587%0.86579%0.786SS**  trans51.8101.6172.143.10000117.3
394G38.8Very low45.1Very low76 Ų76137 Ų13778%0.78475%0.753SS**  trans-91.3162.8174.300000114.5
395R35.5Very low45.9Very low234 Ų234134 Ų13488%0.88372%0.723SS**  trans-151.4154.8152.6-131.3172.6-71.4-128.93.1108.9Y397R395-Y397 PolarHBondContact O-N 3.01Å; R395-Y397 VanDerWaalsContact O-N 3.12Å
396H40.7Very low46.8Very low184 Ų184131.6 Ų131.685%0.85271%0.707SS**  trans-70.6106.1-168.2-64.2-101.4000112.6S398H396-S398 VanDerWaalsContact C-N 3.29Å; H396-S398 PolarHBondContact O-N 3.3Å; H396-S398 VanDerWaalsContact O-N 3.17Å
397Y40.8Very low47.6Very low245 Ų245132.1 Ų132.196%0.96169%0.693SS**  trans-84.374.3162.3-86.4-88.8000110.4R395R395-Y397 PolarHBondContact O-N 3.01Å; R395-Y397 VanDerWaalsContact O-N 3.12Å
398S49.7Very low48.6Very low103 Ų103125.8 Ų125.872%0.7266%0.663SS**  trans-131.4150.5166.7-172.40000109.6H396H396-S398 VanDerWaalsContact C-N 3.29Å; H396-S398 PolarHBondContact O-N 3.3Å; H396-S398 VanDerWaalsContact O-N 3.17Å
399S48.9Very low49.7Very low107 Ų107124.5 Ų124.575%0.74865%0.646SS**  trans52.796.8-172.2176.20000114.6
400N49.6Very low50.8Low85 Ų85128.4 Ų128.446%0.45564%0.644SS.*  trans-149.844.6147.7-127.1-12.5000117.5R402 D403 G404N400-R402 VanDerWaalsContact C-N 3.33Å; N400-D403 HydrophobicContact CB-CB 4.4Å; N400-D403 VanDerWaalsContact CG-CG 3.41Å; N400-D403 VanDerWaalsContact ND2-CG 3.32Å; N400-D403 PolarHBondContact ND2-OD2 3.21Å; N400-D403 WeakPolarHBondContact OD1-CB 3.48Å; N400-D403 PolarHBondContact OD1-OD1 3.31Å; N400-D403 PolarHBondContact OD1-OD2 2.9Å; N400-G404 PolarHBondContact O-N 3.45Å; N400-G404 VanDerWaalsContact O-N 3.12Å
401S51.1Low51.8Low84 Ų84128.2 Ų128.259%0.58764%0.637SS**Hα-helixtrans-70-26175.2-166.40000113.7L405S401-L405 PolarHBondContact O-N 2.99Å
402R53.5Low52.3Low224 Ų224119.6 Ų119.685%0.84563%0.626SS**Hα-helixtrans-71.4-50175.3-70.7-178.873.2-169.32.8110.4N400 G404 L405 G406N400-R402 VanDerWaalsContact C-N 3.33Å; R402-G404 PolarHBondContact O-N 3.05Å; R402-L405 PolarHBondContact O-N 3.16Å; R402-L405 VanDerWaalsContact O-N 3.15Å; R402-G406 PolarHBondContact O-N 2.83Å
403D58.1Low52.9Low72 Ų72112 Ų11239%0.38561%0.613SS.*Hα-helixtrans-66.5-24.4177.2-66.513000113.4N400 R407N400-D403 HydrophobicContact CB-CB 4.4Å; N400-D403 VanDerWaalsContact CG-CG 3.41Å; N400-D403 VanDerWaalsContact ND2-CG 3.32Å; N400-D403 PolarHBondContact ND2-OD2 3.21Å; N400-D403 WeakPolarHBondContact OD1-CB 3.48Å; N400-D403 PolarHBondContact OD1-OD1 3.31Å; N400-D403 PolarHBondContact OD1-OD2 2.9Å; D403-R407 VanDerWaalsContact CB-NH2 3.3Å; D403-R407 VanDerWaalsContact O-CB 3.27Å; D403-R407 WeakPolarHBondContact O-CB 3.24Å; D403-R407 WeakPolarHBondContact O-CG 3.46Å; D403-R407 PolarHBondContact O-N 2.93Å; D403-R407 PolarHBondContact O-NE 3.42Å; D403-R407 IonicContact OD2-NH1 3.16Å
404G60.9Low54.1Low17 Ų17109.5 Ų109.518%0.17560%0.597CS.*Hα-helixtrans-61.1-47.5170.400000112.2N400 R402 F408N400-G404 PolarHBondContact O-N 3.45Å; N400-G404 VanDerWaalsContact O-N 3.12Å; R402-G404 PolarHBondContact O-N 3.05Å; G404-F408 WeakPolarHBondContact O-CB 3.35Å; G404-F408 PolarHBondContact O-N 3.08Å
405L64.6Low55.7Low34 Ų34107 Ų10718%0.17857%0.567CS.*Hα-helixtrans-71.7-39.1175.4-174.663.7000111.7L368 A371 L372 L375 S401 R402 F408 L409L368-L405 HydrophobicContact CD2-CD2 4.18Å; A371-L405 HydrophobicContact CB-CD1 4.12Å; L372-L405 HydrophobicContact CD2-CB 4.45Å; L372-L405 HydrophobicContact CD2-CD2 4.39Å; L375-L405 HydrophobicContact CD1-CB 4.19Å; L375-L405 HydrophobicContact CD1-CD1 4.41Å; S401-L405 PolarHBondContact O-N 2.99Å; R402-L405 PolarHBondContact O-N 3.16Å; R402-L405 VanDerWaalsContact O-N 3.15Å; L405-F408 HydrophobicContact CD1-CD1 4.23Å; L405-F408 PolarHBondContact O-N 3.21Å; L405-L409 HydrophobicContact CD1-CD1 4.34Å; L405-L409 HydrophobicContact CD1-CG 4.41Å; L405-L409 HydrophobicContact CG-CD1 4.14Å; L405-L409 WeakPolarHBondContact O-CG 3.49Å; L405-L409 PolarHBondContact O-N 3.2Å
406G63.6Low57.4Low41 Ų41100.7 Ų100.742%0.42355%0.55SS.*Hα-helixtrans-59.2-45.5174.600000112.5R402 K410R402-G406 PolarHBondContact O-N 2.83Å; G406-K410 WeakPolarHBondContact O-CB 3.29Å; G406-K410 PolarHBondContact O-N 3.35Å
407R64.3Low58.9Low138 Ų13896.8 Ų96.852%0.52153%0.532SS..Hα-helixtrans-64.3-47.2172.9-78-176.7-76.2-90.8-3111.5D403 L409 K410 S411D403-R407 VanDerWaalsContact CB-NH2 3.3Å; D403-R407 VanDerWaalsContact O-CB 3.27Å; D403-R407 WeakPolarHBondContact O-CB 3.24Å; D403-R407 WeakPolarHBondContact O-CG 3.46Å; D403-R407 PolarHBondContact O-N 2.93Å; D403-R407 PolarHBondContact O-NE 3.42Å; D403-R407 IonicContact OD2-NH1 3.16Å; R407-L409 VanDerWaalsContact C-N 3.28Å; R407-L409 PolarHBondContact O-N 2.94Å; R407-K410 CarbonylContact O-C 3.33Å; R407-K410 PolarHBondContact O-N 3.26Å; R407-S411 PolarHBondContact O-N 2.72Å; R407-S411 PolarHBondContact O-OG 3.04Å
408F65.3Low60.8Low61 Ų6187 Ų8727%0.26850%0.497SS..Hα-helixtrans-54.9-40.4177.9177.1-102.8000113.2A371 L375 G404 L405 P415A371-F408 HydrophobicContact CB-CE1 4.35Å; L375-F408 HydrophobicContact CD2-CB 4.41Å; G404-F408 WeakPolarHBondContact O-CB 3.35Å; G404-F408 PolarHBondContact O-N 3.08Å; L405-F408 HydrophobicContact CD1-CD1 4.23Å; L405-F408 PolarHBondContact O-N 3.21Å; F408-P415 HydrophobicContact CE1-CG 3.78Å; F408-P415 HydrophobicContact CZ-CG 3.62Å
409L66.1Low62.4Low84 Ų8486.6 Ų86.644%0.4448%0.483SS..Hα-helixtrans-79.4-27.8176-64.4172.8000113.1L405 R407 L418L405-L409 HydrophobicContact CD1-CD1 4.34Å; L405-L409 HydrophobicContact CD1-CG 4.41Å; L405-L409 HydrophobicContact CG-CD1 4.14Å; L405-L409 WeakPolarHBondContact O-CG 3.49Å; L405-L409 PolarHBondContact O-N 3.2Å; R407-L409 VanDerWaalsContact C-N 3.28Å; R407-L409 PolarHBondContact O-N 2.94Å; L409-L418 HydrophobicContact CD2-CD2 4.19Å
410K62.3Low63.9Low188 Ų18889 Ų8982%0.81748%0.476SS*.Hα-helixtrans-86.8-4.5179.1-165.3167.1-178.3176.60113.7G406 R407 G412G406-K410 WeakPolarHBondContact O-CB 3.29Å; G406-K410 PolarHBondContact O-N 3.35Å; R407-K410 CarbonylContact O-C 3.33Å; R407-K410 PolarHBondContact O-N 3.26Å; K410-G412 PolarHBondContact O-N 3.36Å
411S57.7Low65.6Low91 Ų9186.2 Ų86.264%0.63646%0.461SS*.SBendtrans-70.917.2175.9-69.50000115.1R407 A413R407-S411 PolarHBondContact O-N 2.72Å; R407-S411 PolarHBondContact O-OG 3.04Å; S411-A413 PolarHBondContact O-N 3.35Å
412G49.3Very low67.2Low70 Ų7089.9 Ų89.972%0.72246%0.463SS*.SBendtrans72.4-39.717900000115.2K410 V414K410-G412 PolarHBondContact O-N 3.36Å; G412-V414 PolarHBondContact O-N 2.91Å; G412-V414 VanDerWaalsContact O-N 3.11Å
413A54.7Low68.7Low74 Ų7483.8 Ų83.861%0.61245%0.447SS*.  trans-79.589.9178.500000112S411 P415S411-A413 PolarHBondContact O-N 3.35Å; A413-P415 WeakPolarHBondContact O-CD 3.48Å
414V61.2Low70.1Confident87 Ų8783.2 Ų83.253%0.52745%0.449SS..  trans-56.8124.6162.9177.40000108.2G412 L416 L418 E419G412-V414 PolarHBondContact O-N 2.91Å; G412-V414 VanDerWaalsContact O-N 3.11Å; V414-L416 PolarHBondContact O-N 2.98Å; V414-L418 HydrophobicContact CG1-CB 4.34Å; V414-L418 HydrophobicContact CG1-CD2 4.37Å; V414-E419 HydrophobicContact CG1-CB 4.43Å
415P71.4Confident71.3Confident24 Ų2482.7 Ų82.716%0.15644%0.443CS..  trans-62.2131.1177.8-24.635.3000110.5F367 F408 A413 E417 L418 E419F367-P415 HydrophobicContact CE2-CB 4.48Å; F367-P415 HydrophobicContact CZ-CB 4.4Å; F367-P415 HydrophobicContact CZ-CG 4.26Å; F408-P415 HydrophobicContact CE1-CG 3.78Å; F408-P415 HydrophobicContact CZ-CG 3.62Å; A413-P415 WeakPolarHBondContact O-CD 3.48Å; P415-E417 PolarHBondContact O-N 2.99Å; P415-L418 WeakPolarHBondContact O-CA 3.28Å; P415-L418 WeakPolarHBondContact O-CB 3.49Å; P415-L418 PolarHBondContact O-N 2.82Å; P415-E419 PolarHBondContact O-N 3.46Å
416L72.8Confident72.4Confident101 Ų10182.6 Ų82.653%0.52945%0.445SS..Hα-helixtrans-56.1-18.8177.5-63.1169.7000113.3V414 R420V414-L416 PolarHBondContact O-N 2.98Å; L416-R420 WeakPolarHBondContact O-CB 3.45Å; L416-R420 VanDerWaalsContact O-CD 3.24Å; L416-R420 WeakPolarHBondContact O-CD 3.46Å; L416-R420 WeakPolarHBondContact O-CG 3.37Å; L416-R420 PolarHBondContact O-N 3.34Å
417E72.1Confident73.5Confident102 Ų10283.1 Ų83.148%0.47745%0.446SS..Hα-helixtrans-66.1-44.9169.3-60.2-179.4149.700111.9F367 R374 P415 L421F367-E417 HydrophobicContact CD2-CB 4.33Å; F367-E417 HydrophobicContact CE2-CB 4Å; R374-E417 IonicContact CZ-OE2 3.67Å; R374-E417 IonicContact NH1-OE1 2.64Å; R374-E417 IonicContact NH1-OE2 3.7Å; R374-E417 PolarHBondContact NH1-OE2 2.86Å; R374-E417 IonicContact NH2-OE2 4Å; R374-E417 PolarHBondContact NH2-OE2 3.2Å; P415-E417 PolarHBondContact O-N 2.99Å; E417-L421 VanDerWaalsContact O-CB 3.25Å; E417-L421 WeakPolarHBondContact O-CB 3.43Å; E417-L421 PolarHBondContact O-N 3.48Å
418L80.7Confident74.6Confident40 Ų4080.4 Ų80.421%0.20944%0.442CS..Hα-helixtrans-73.8-38.8-178.2-177.858.1000111.9F367 L409 V414 P415 L421 Y422F367-L418 HydrophobicContact CD1-CD1 4.16Å; F367-L418 HydrophobicContact CE1-CB 4.16Å; F367-L418 HydrophobicContact CE1-CD1 3.96Å; F367-L418 HydrophobicContact CE1-CD2 4.02Å; F367-L418 HydrophobicContact CE1-CG 4.28Å; F367-L418 HydrophobicContact CE2-CB 4.09Å; F367-L418 HydrophobicContact CZ-CB 3.73Å; F367-L418 HydrophobicContact CZ-CD1 4.4Å; F367-L418 HydrophobicContact CZ-CD2 4.2Å; F367-L418 HydrophobicContact CZ-CG 4.33Å; L409-L418 HydrophobicContact CD2-CD2 4.19Å; V414-L418 HydrophobicContact CG1-CB 4.34Å; V414-L418 HydrophobicContact CG1-CD2 4.37Å; P415-L418 WeakPolarHBondContact O-CA 3.28Å; P415-L418 WeakPolarHBondContact O-CB 3.49Å; P415-L418 PolarHBondContact O-N 2.82Å; L418-L421 PolarHBondContact O-N 2.91Å; L418-Y422 WeakPolarHBondContact O-CB 3.21Å; L418-Y422 PolarHBondContact O-N 2.79Å
419E81.5Confident75.7Confident95 Ų9581.2 Ų81.244%0.44445%0.448SS..Hα-helixtrans-62-48175-174.5-172.4-169.200111.3V414 P415 L421 Y422 L423V414-E419 HydrophobicContact CG1-CB 4.43Å; P415-E419 PolarHBondContact O-N 3.46Å; E419-L421 VanDerWaalsContact C-N 3.31Å; E419-L421 PolarHBondContact O-N 2.9Å; E419-Y422 PolarHBondContact O-N 3.33Å; E419-L423 HydrophobicContact CG-CD1 4.17Å; E419-L423 WeakPolarHBondContact O-CG 3.15Å; E419-L423 PolarHBondContact O-N 3.01Å
420R82.2Confident76.6Confident156 Ų15682.4 Ų82.459%0.58945%0.452SS*.Hα-helixtrans-62.8-37.6174.8-69.1169.2-166.2142.74.1112.2L416 S424L416-R420 WeakPolarHBondContact O-CB 3.45Å; L416-R420 VanDerWaalsContact O-CD 3.24Å; L416-R420 WeakPolarHBondContact O-CD 3.46Å; L416-R420 WeakPolarHBondContact O-CG 3.37Å; L416-R420 PolarHBondContact O-N 3.34Å; R420-S424 VanDerWaalsContact O-CB 3.31Å; R420-S424 WeakPolarHBondContact O-CB 3.36Å; R420-S424 PolarHBondContact O-N 2.92Å; R420-S424 PolarHBondContact O-OG 2.92Å
421L84.3Confident77.7Confident28 Ų2876 Ų7615%0.14743%0.43CS..Hα-helixtrans-66.3-40.1175.2-175.4157.8000111.4Q363 L364 F367 E417 L418 E419 S424 G425Q363-L421 HydrophobicContact CB-CD1 3.82Å; Q363-L421 HydrophobicContact CB-CG 4.39Å; L364-L421 HydrophobicContact CD2-CD2 3.48Å; L364-L421 VanDerWaalsContact CD2-CD2 3.48Å; L364-L421 HydrophobicContact CG-CD2 3.93Å; F367-L421 HydrophobicContact CB-CD1 4.22Å; E417-L421 VanDerWaalsContact O-CB 3.25Å; E417-L421 WeakPolarHBondContact O-CB 3.43Å; E417-L421 PolarHBondContact O-N 3.48Å; L418-L421 PolarHBondContact O-N 2.91Å; E419-L421 VanDerWaalsContact C-N 3.31Å; E419-L421 PolarHBondContact O-N 2.9Å; L421-S424 PolarHBondContact O-OG 3.27Å; L421-G425 WeakPolarHBondContact O-CA 3.38Å; L421-G425 PolarHBondContact O-N 3.4Å
422Y84.8Confident79.1Confident160 Ų16072.6 Ų72.663%0.62741%0.407SS*.Hα-helixtrans-64.3-51174.5171.1-102.3000111.5L418 E419 G425 S426L418-Y422 WeakPolarHBondContact O-CB 3.21Å; L418-Y422 PolarHBondContact O-N 2.79Å; E419-Y422 PolarHBondContact O-N 3.33Å; Y422-G425 PolarHBondContact O-N 3.43Å; Y422-S426 WeakPolarHBondContact O-CB 3.09Å; Y422-S426 PolarHBondContact O-N 3Å; Y422-S426 PolarHBondContact O-OG 3.49Å
423L85.8Confident80.8Confident96 Ų9674.7 Ų74.750%0.50340%0.399SS..Hα-helixtrans-63.7-42.1-179.4-68.9171.2000112.6E419 S426 A427E419-L423 HydrophobicContact CG-CD1 4.17Å; E419-L423 WeakPolarHBondContact O-CG 3.15Å; E419-L423 PolarHBondContact O-N 3.01Å; L423-S426 PolarHBondContact O-OG 3.46Å; L423-A427 WeakPolarHBondContact O-CB 3.33Å; L423-A427 PolarHBondContact O-N 3.21Å; L423-A427 VanDerWaalsContact O-N 3.15Å
424S86.7Confident82Confident61 Ų6173.2 Ų73.243%0.42738%0.384SS..Hα-helixtrans-74.8-34.6175.759.10000112.5R420 L421 N428R420-S424 VanDerWaalsContact O-CB 3.31Å; R420-S424 WeakPolarHBondContact O-CB 3.36Å; R420-S424 PolarHBondContact O-N 2.92Å; R420-S424 PolarHBondContact O-OG 2.92Å; L421-S424 PolarHBondContact O-OG 3.27Å; S424-N428 WeakPolarHBondContact O-CB 3.4Å; S424-N428 PolarHBondContact O-N 3.31Å; S424-N428 VanDerWaalsContact O-N 3.07Å; S424-N428 PolarHBondContact O-ND2 3.24Å
425G86.8Confident82.8Confident6 Ų670.7 Ų70.76%0.06237%0.372CS..Hα-helixtrans-64.3-51175.700000112.1L421 Y422 N428 L429L421-G425 WeakPolarHBondContact O-CA 3.38Å; L421-G425 PolarHBondContact O-N 3.4Å; Y422-G425 PolarHBondContact O-N 3.43Å; G425-N428 PolarHBondContact O-N 3.04Å; G425-L429 WeakPolarHBondContact O-CB 3.45Å; G425-L429 VanDerWaalsContact O-CG 3.28Å; G425-L429 WeakPolarHBondContact O-CG 3.4Å; G425-L429 PolarHBondContact O-N 3.23Å
426S87.1Confident83Confident31 Ų3173.6 Ų73.622%0.21738%0.382CS..Hα-helixtrans-63.7-44.8177.7610000112Y422 L423 N428 L429 H430Y422-S426 WeakPolarHBondContact O-CB 3.09Å; Y422-S426 PolarHBondContact O-N 3Å; Y422-S426 PolarHBondContact O-OG 3.49Å; L423-S426 PolarHBondContact O-OG 3.46Å; S426-N428 VanDerWaalsContact C-N 3.31Å; S426-N428 PolarHBondContact O-N 3.39Å; S426-L429 PolarHBondContact O-N 2.86Å; S426-H430 WeakPolarHBondContact O-CB 3.16Å; S426-H430 PolarHBondContact O-CD2 3.43Å; S426-H430 PolarHBondContact O-N 3.33Å
427A86.7Confident82.8Confident53 Ų5373.9 Ų73.944%0.43838%0.384SS..Hα-helixtrans-61.2-36.9177.100000113.2L423 S431L423-A427 WeakPolarHBondContact O-CB 3.33Å; L423-A427 PolarHBondContact O-N 3.21Å; L423-A427 VanDerWaalsContact O-N 3.15Å; A427-S431 WeakPolarHBondContact O-CB 3.37Å; A427-S431 PolarHBondContact O-N 3.44Å; A427-S431 VanDerWaalsContact O-N 3.12Å; A427-S431 PolarHBondContact O-OG 3.3Å
428N86.8Confident82.3Confident80 Ų8070.7 Ų70.743%0.42837%0.373SS..Hα-helixtrans-73.3-39.8174.8-78-56000112.3V356 S424 G425 S426 S431 A432V356-N428 HydrophobicContact CG1-CB 3.79Å; S424-N428 WeakPolarHBondContact O-CB 3.4Å; S424-N428 PolarHBondContact O-N 3.31Å; S424-N428 VanDerWaalsContact O-N 3.07Å; S424-N428 PolarHBondContact O-ND2 3.24Å; G425-N428 PolarHBondContact O-N 3.04Å; S426-N428 VanDerWaalsContact C-N 3.31Å; S426-N428 PolarHBondContact O-N 3.39Å; N428-S431 PolarHBondContact O-N 3.42Å; N428-A432 PolarHBondContact O-N 2.87Å
429L88.1Confident81.1Confident78 Ų7870.6 Ų70.641%0.40837%0.373SS..Hα-helixtrans-67.1-48.6177.6-73.1168.3000111.5V356 V360 G425 S426 S431 A432 E433V356-L429 HydrophobicContact CG1-CD2 4.05Å; V356-L429 HydrophobicContact CG1-CG 4.38Å; V360-L429 HydrophobicContact CG1-CD1 4.49Å; G425-L429 WeakPolarHBondContact O-CB 3.45Å; G425-L429 VanDerWaalsContact O-CG 3.28Å; G425-L429 WeakPolarHBondContact O-CG 3.4Å; G425-L429 PolarHBondContact O-N 3.23Å; S426-L429 PolarHBondContact O-N 2.86Å; L429-S431 PolarHBondContact O-N 3.37Å; L429-A432 WeakPolarHBondContact O-CB 3.42Å; L429-A432 PolarHBondContact O-N 3.44Å; L429-E433 WeakPolarHBondContact O-CB 3.24Å; L429-E433 PolarHBondContact O-N 2.94Å
430H86.1Confident79.9Confident110 Ų11071.3 Ų71.351%0.50938%0.384SS..Hα-helixtrans-60.7-27.7172.3-69.7-50.8000112.5S426 E433 S434S426-H430 WeakPolarHBondContact O-CB 3.16Å; S426-H430 PolarHBondContact O-CD2 3.43Å; S426-H430 PolarHBondContact O-N 3.33Å; H430-E433 IonicContact CE1-OE2 3.38Å; H430-E433 IonicContact CG-OE2 2.75Å; H430-E433 IonicContact ND1-OE2 3.72Å; H430-E433 PolarHBondContact ND1-OE2 2.94Å; H430-S434 WeakPolarHBondContact O-CB 3.41Å; H430-S434 PolarHBondContact O-N 2.94Å; H430-S434 PolarHBondContact O-OG 3.45Å
431S86.1Confident78.7Confident53 Ų5369.9 Ų69.937%0.37139%0.392SS..Hα-helixtrans-79.1-23.9173.8-64.70000114.4R144 A427 N428 L429 A435R144-S431 PolarHBondContact NH2-OG 3.08Å; A427-S431 WeakPolarHBondContact O-CB 3.37Å; A427-S431 PolarHBondContact O-N 3.44Å; A427-S431 VanDerWaalsContact O-N 3.12Å; A427-S431 PolarHBondContact O-OG 3.3Å; N428-S431 PolarHBondContact O-N 3.42Å; L429-S431 PolarHBondContact O-N 3.37Å; S431-A435 WeakPolarHBondContact O-CB 3.38Å
432A85.9Confident77.2Confident19 Ų1974.1 Ų74.116%0.15741%0.411CS..Hα-helixtrans-75.4-48.8166.200000110.6A353 N428 L429 A435 F436A353-A432 HydrophobicContact CB-CB 3.97Å; N428-A432 PolarHBondContact O-N 2.87Å; L429-A432 WeakPolarHBondContact O-CB 3.42Å; L429-A432 PolarHBondContact O-N 3.44Å; A432-A435 CarbonylContact O-C 3.26Å; A432-A435 WeakPolarHBondContact O-CA 3.43Å; A432-A435 WeakPolarHBondContact O-CB 3.46Å; A432-A435 PolarHBondContact O-N 2.92Å; A432-F436 WeakPolarHBondContact O-CD2 2.99Å; A432-F436 PolarHBondContact O-N 2.8Å
433E85.5Confident75.1Confident115 Ų11571.4 Ų71.454%0.53742%0.416SS..Hα-helixtrans-53.4-54.6177.6178.6-179.2-127.500112.5L429 H430 A435 F436 D437L429-E433 WeakPolarHBondContact O-CB 3.24Å; L429-E433 PolarHBondContact O-N 2.94Å; H430-E433 IonicContact CE1-OE2 3.38Å; H430-E433 IonicContact CG-OE2 2.75Å; H430-E433 IonicContact ND1-OE2 3.72Å; H430-E433 PolarHBondContact ND1-OE2 2.94Å; E433-A435 PolarHBondContact O-N 3.35Å; E433-F436 PolarHBondContact O-N 3.15Å; E433-D437 PolarHBondContact O-N 3Å
434S79.6Confident73Confident43 Ų4372.6 Ų72.630%0.30143%0.432SS..THydrogen-bonded Turntrans-69.6-0.3175.757.50000114.8R144 H430R144-S434 PolarHBondContact NH1-OG 2.9Å; R144-S434 PolarHBondContact NH2-OG 2.67Å; H430-S434 WeakPolarHBondContact O-CB 3.41Å; H430-S434 PolarHBondContact O-N 2.94Å; H430-S434 PolarHBondContact O-OG 3.45Å
435A78.4Confident71.7Confident34 Ų3475.8 Ų75.828%0.28146%0.455SS..THydrogen-bonded Turntrans-103.78.2167.200000112.7Q349 S431 A432 E433Q349-A435 PolarHBondContact NE2-O 3.14Å; S431-A435 WeakPolarHBondContact O-CB 3.38Å; A432-A435 CarbonylContact O-C 3.26Å; A432-A435 WeakPolarHBondContact O-CA 3.43Å; A432-A435 WeakPolarHBondContact O-CB 3.46Å; A432-A435 PolarHBondContact O-N 2.92Å; E433-A435 PolarHBondContact O-N 3.35Å
436F75.1Confident69.6Low84 Ų8479 Ų7937%0.36849%0.487SS..THydrogen-bonded Turntrans-111.8-40.3162.6-83.7-89.4000111.2Q349 V350 A353 A432 E433 S438 D439Q349-F436 HydrophobicContact CB-CE2 4.03Å; Q349-F436 HydrophobicContact CB-CZ 3.91Å; V350-F436 HydrophobicContact CB-CZ 4.25Å; V350-F436 HydrophobicContact CG2-CE1 3.72Å; V350-F436 HydrophobicContact CG2-CZ 3.55Å; A353-F436 HydrophobicContact CB-CE2 3.8Å; A432-F436 WeakPolarHBondContact O-CD2 2.99Å; A432-F436 PolarHBondContact O-N 2.8Å; E433-F436 PolarHBondContact O-N 3.15Å; F436-S438 PolarHBondContact O-N 3.03Å; F436-D439 PolarHBondContact O-N 3.15Å
437D68.4Low67.8Low107 Ų10781.5 Ų81.557%0.57252%0.518SS*.G310 helixtrans-60.6-25.5-179.4-161.540.4000113.2E433 D439 V440E433-D437 PolarHBondContact O-N 3Å; D437-D439 PolarHBondContact O-N 2.96Å; D437-D439 VanDerWaalsContact O-N 3.09Å; D437-V440 WeakPolarHBondContact O-CB 3.26Å; D437-V440 PolarHBondContact O-N 3.14Å; D437-V440 VanDerWaalsContact O-N 3.1Å
438S61.3Low65.4Low35 Ų3586.2 Ų86.225%0.24554%0.536CS..G310 helixtrans-53.5-30.1175520000114.3F436 V440 T441F436-S438 PolarHBondContact O-N 3.03Å; S438-V440 PolarHBondContact O-N 2.9Å; S438-T441 PolarHBondContact O-OG1 3.31Å
439D57.1Low63.6Low39 Ų3986.8 Ų86.821%0.20955%0.547CS..G310 helixtrans-77.3-11.5-174.6-65.228.3000112.3K346 F436 D437K346-D439 WeakPolarHBondContact CD-OD2 3.25Å; K346-D439 WeakPolarHBondContact CE-OD2 3.46Å; K346-D439 IonicContact NZ-OD2 2.88Å; K346-D439 PolarHBondContact NZ-OD2 3.03Å; F436-D439 PolarHBondContact O-N 3.15Å; D437-D439 PolarHBondContact O-N 2.96Å; D437-D439 VanDerWaalsContact O-N 3.09Å
440V56.3Low61.4Low110 Ų11090.8 Ų90.867%0.66757%0.568SS**G310 helixtrans-81.6-28.5178.2-1770000111.6D437 S438D437-V440 WeakPolarHBondContact O-CB 3.26Å; D437-V440 PolarHBondContact O-N 3.14Å; D437-V440 VanDerWaalsContact O-N 3.1Å; S438-V440 PolarHBondContact O-N 2.9Å
441T56.3Low59.2Low125 Ų12591.8 Ų91.877%0.76758%0.576SS**SBendtrans-95.8-8-174.548.80000115.3S438S438-T441 PolarHBondContact O-OG1 3.31Å
442E52.3Low57.3Low117 Ų11798.3 Ų98.355%0.54760%0.601SS.*SBendtrans-104.714.3-174.969.7175.7-15300114.8
443S41.2Very low55.6Low103 Ų103106.1 Ų106.172%0.7263%0.634SS**  trans-149.329.7-175.2-65.50000116.1
444S41.7Very low53.9Low121 Ų121106.9 Ų106.985%0.84664%0.638SS**  trans-104.173.7163.8-164.50000109.8
445S58.3Low52.2Low129 Ų129112.4 Ų112.490%0.90266%0.659SS**  trans-132.778.4170-171.20000107.9
446G42.4Very low50.5Low72 Ų72118.3 Ų118.374%0.74269%0.685SS**  trans-145.1121.6169.900000105.5
447G50.2Low49Very low84 Ų84118.5 Ų118.587%0.86670%0.697SS**  trans-72.6141.9-175.700000111.4
448D36.6Very low47.8Very low153 Ų153122.2 Ų122.282%0.81870%0.703SS**  trans-119.8159.9146.4-151-12.3000107.5
449S47.9Very low47Very low92 Ų92126.6 Ų126.664%0.64373%0.728SS**  trans-123154.9-168.6-57.20000111.8
450D43.4Very low46.1Very low161 Ų161129.1 Ų129.186%0.86174%0.742SS**  trans5263.3165.7-60.3-14.9000116.9
451L39Very low45.9Very low131 Ų131131.2 Ų131.269%0.68675%0.747SS**  trans-132.523.4169.5-77.4-179.7000115.3E453L451-E453 VanDerWaalsContact C-N 3.29Å; L451-E453 PolarHBondContact O-N 3.17Å
452E45.5Very low45.5Very low190 Ų190132.6 Ų132.689%0.88875%0.745SS**THydrogen-bonded Turntrans-72.6-8.7-177.4-66.5-159.7143.700115.6
453E50.7Low45.3Very low183 Ų183134.6 Ų134.686%0.85575%0.754SS**THydrogen-bonded Turntrans-97.1-36.4-173.4-162.8169.7-178.400115.5L451L451-E453 VanDerWaalsContact C-N 3.29Å; L451-E453 PolarHBondContact O-N 3.17Å
454E49.2Very low45.5Very low131 Ų131140.7 Ų140.761%0.61276%0.762SS**THydrogen-bonded Turntrans-87.5-29.1-171.4-163.8172.5156.300114.4L456 S457E454-L456 VanDerWaalsContact C-N 3.31Å; E454-L456 PolarHBondContact O-N 2.99Å; E454-S457 PolarHBondContact O-N 3.45Å; E454-S457 PolarHBondContact O-OG 3.47Å
455E44.1Very low46Very low160 Ų160143.7 Ų143.775%0.74876%0.762SS**G310 helixtrans-70.9-24-172.4-163165.2-130.300113.6S457 R458E455-S457 PolarHBondContact O-N 2.93Å; E455-R458 PolarHBondContact O-N 2.86Å; E455-R458 VanDerWaalsContact O-N 3.09Å
456L43.9Very low45.8Very low158 Ų158141.3 Ų141.383%0.82774%0.742SS**G310 helixtrans-60.4-14.4174.5-69.7174.8000114.2E454E454-L456 VanDerWaalsContact C-N 3.31Å; E454-L456 PolarHBondContact O-N 2.99Å
457S43.6Very low46.8Very low88 Ų88145.5 Ų145.562%0.61574%0.739SS**G310 helixtrans-88.4-14.9178.170.60000114.5E454 E455E454-S457 PolarHBondContact O-N 3.45Å; E454-S457 PolarHBondContact O-OG 3.47Å; E455-S457 PolarHBondContact O-N 2.93Å
458R43Very low47.4Very low184 Ų184146.5 Ų146.569%0.69472%0.724SS**  trans-106.988.4-173.7-67.7-176.1-174.3-91.2-3.1111.5E455 D460E455-R458 PolarHBondContact O-N 2.86Å; E455-R458 VanDerWaalsContact O-N 3.09Å; R458-D460 VanDerWaalsContact C-N 3.3Å; R458-D460 PolarHBondContact O-N 2.96Å
459V43.6Very low48.5Very low127 Ų127148.8 Ų148.877%0.7772%0.721SS**  trans-67.389.3166.8-1760000109.3I461V459-I461 HydrophobicContact CG1-CG1 4.11Å; V459-I461 PolarHBondContact O-N 3.27Å; V459-I461 VanDerWaalsContact O-N 3.15Å
460D39.5Very low49.1Very low93 Ų93152.2 Ų152.250%0.49772%0.724SS.*  trans-72.3100.4168.3177.822.7000109.9R458 E462 Q463R458-D460 VanDerWaalsContact C-N 3.3Å; R458-D460 PolarHBondContact O-N 2.96Å; D460-E462 PolarHBondContact O-N 3.18Å; D460-E462 WeakPolarHBondContact OD1-CB 3.41Å; D460-E462 PolarHBondContact OD1-N 3.48Å; D460-Q463 HydrophobicContact CB-CG 4.29Å; D460-Q463 WeakPolarHBondContact OD2-CG 3.46Å
461I52.1Low51Low154 Ų154149.9 Ų149.979%0.7970%0.704SS**THydrogen-bonded Turntrans-67.7-16.2-179.3-62.7174.3000111.4V459V459-I461 HydrophobicContact CG1-CG1 4.11Å; V459-I461 PolarHBondContact O-N 3.27Å; V459-I461 VanDerWaalsContact O-N 3.15Å
462E47.1Very low52.8Low154 Ų154147.7 Ų147.772%0.7270%0.704SS**THydrogen-bonded Turntrans-90.82.5-172.7-144.168.8-138.600113.9D460 R464D460-E462 PolarHBondContact O-N 3.18Å; D460-E462 WeakPolarHBondContact OD1-CB 3.41Å; D460-E462 PolarHBondContact OD1-N 3.48Å; E462-R464 PolarHBondContact O-N 2.97Å
463Q47.9Very low54.5Low159 Ų159144.5 Ų144.574%0.74369%0.689SS**  trans-65.289.9177.2-73-153.710.200112.9D460 H465D460-Q463 HydrophobicContact CB-CG 4.29Å; D460-Q463 WeakPolarHBondContact OD2-CG 3.46Å; Q463-H465 PolarHBondContact O-N 2.29Å
464R45Very low55.8Low231 Ų231136.2 Ų136.287%0.87265%0.651SS**  trans-42.3128.5-178.6-62.3179.4178.6-176.5-0.3113.1E462 V466E462-R464 PolarHBondContact O-N 2.97Å; R464-V466 VanDerWaalsContact C-N 3.35Å; R464-V466 PolarHBondContact O-N 3.38Å
465H52.5Low57.5Low184 Ų184137.5 Ų137.585%0.85265%0.651SS**  trans-49.679.9-177.8-79.4109000116.3Q463 K467Q463-H465 PolarHBondContact O-N 2.29Å; H465-K467 PolarHBondContact O-N 3.48Å
466V54.8Low59.6Low78 Ų78136.1 Ų136.147%0.47364%0.639SS.*  trans-66100150.9179.70000106.4R464 I468 K470 R471R464-V466 VanDerWaalsContact C-N 3.35Å; R464-V466 PolarHBondContact O-N 3.38Å; V466-I468 PolarHBondContact O-N 3.31Å; V466-K470 HydrophobicContact CG1-CB 3.82Å; V466-R471 HydrophobicContact CG1-CG 4.01Å
467K63.7Low61.8Low160 Ų160132 Ų13270%0.69662%0.621SS**  trans-45.4128.7177.2-63.5-171.6178.2-170.10109.3H465 W469 K470H465-K467 PolarHBondContact O-N 3.48Å; K467-W469 VanDerWaalsContact C-N 3.26Å; K467-W469 PolarHBondContact O-N 3.14Å; K467-K470 WeakPolarHBondContact O-CB 3.31Å; K467-K470 PolarHBondContact O-N 3.12Å
468I61.7Low63.8Low105 Ų105131.6 Ų131.654%0.53862%0.615SS.*G310 helixtrans-39.4-53.5-169.2-63.2165.1000112.1V466 K470 R471 S474V466-I468 PolarHBondContact O-N 3.31Å; I468-K470 PolarHBondContact O-N 2.76Å; I468-R471 WeakPolarHBondContact O-CB 3.38Å; I468-R471 PolarHBondContact O-N 3.13Å; I468-S474 WeakPolarHBondContact O-CB 3.39Å
469W59.4Low66Low202 Ų202128.1 Ų128.177%0.76561%0.606SS**G310 helixtrans-50.3-10.5175.2-54.2102.2000118.1K467 S474 V478K467-W469 VanDerWaalsContact C-N 3.26Å; K467-W469 PolarHBondContact O-N 3.14Å; W469-S474 WeakPolarHBondContact CA-OG 3.36Å; W469-V478 HydrophobicContact CZ3-CG2 3.99Å
470K61Low68.4Low163 Ų163128.4 Ų128.471%0.70959%0.594SS**G310 helixtrans-101.9-13.2174.9-72.7-168.2170.9-167.80114V466 K467 I468V466-K470 HydrophobicContact CG1-CB 3.82Å; K467-K470 WeakPolarHBondContact O-CB 3.31Å; K467-K470 PolarHBondContact O-N 3.12Å; I468-K470 PolarHBondContact O-N 2.76Å
471R82.8Confident70.9Confident113 Ų113126.7 Ų126.743%0.42659%0.592SS.*SBendtrans-70.5148.1175-60.4-179.2-175.3161.8-4.3110V466 I468 E473 S474 R475V466-R471 HydrophobicContact CG1-CG 4.01Å; I468-R471 WeakPolarHBondContact O-CB 3.38Å; I468-R471 PolarHBondContact O-N 3.13Å; R471-E473 VanDerWaalsContact C-N 3.29Å; R471-E473 HydrophobicContact CB-CB 4.44Å; R471-E473 PolarHBondContact O-N 3.19Å; R471-S474 PolarHBondContact O-N 3.49Å; R471-S474 VanDerWaalsContact O-N 3.13Å; R471-R475 PolarHBondContact O-N 2.95Å
472A77.8Confident72.7Confident84 Ų84120.4 Ų120.469%0.69457%0.565SS**Hα-helixtrans-58.7-43175.900000111.5S474 R475 Y476A472-S474 VanDerWaalsContact C-N 3.32Å; A472-S474 PolarHBondContact O-N 3.05Å; A472-R475 WeakPolarHBondContact O-CB 3.21Å; A472-R475 PolarHBondContact O-N 2.9Å; A472-Y476 PolarHBondContact O-N 2.84Å
473E81.4Confident74.8Confident123 Ų123117.6 Ų117.658%0.57555%0.554SS**Hα-helixtrans-48-47.2170.1178.9-165-153.100113.4R471 R475 Y476 T477R471-E473 VanDerWaalsContact C-N 3.29Å; R471-E473 HydrophobicContact CB-CB 4.44Å; R471-E473 PolarHBondContact O-N 3.19Å; E473-R475 VanDerWaalsContact C-N 3.29Å; E473-R475 PolarHBondContact O-N 3.37Å; E473-Y476 PolarHBondContact O-N 3.49Å; E473-T477 WeakPolarHBondContact O-CB 3.37Å; E473-T477 WeakPolarHBondContact O-CG2 3.27Å; E473-T477 PolarHBondContact O-N 2.83Å; E473-T477 PolarHBondContact O-OG1 2.92Å
474S77.9Confident77Confident9 Ų9114 Ų1146%0.06354%0.539CS..Hα-helixtrans-72.7-21.1-179.4-173.20000113.4I468 W469 R471 A472 T477 V478I468-S474 WeakPolarHBondContact O-CB 3.39Å; W469-S474 WeakPolarHBondContact CA-OG 3.36Å; R471-S474 PolarHBondContact O-N 3.49Å; R471-S474 VanDerWaalsContact O-N 3.13Å; A472-S474 VanDerWaalsContact C-N 3.32Å; A472-S474 PolarHBondContact O-N 3.05Å; S474-T477 WeakPolarHBondContact CA-OG1 3.12Å; S474-T477 PolarHBondContact O-OG1 3.29Å; S474-V478 WeakPolarHBondContact O-CG2 3.4Å
475R83.9Confident79.2Confident159 Ų159105.9 Ų105.960%0.652%0.518SS*.Hα-helixtrans-78-51.5170-68.7-177.6170.4-135.10.6110.4R471 A472 E473 T477 V478 E479R471-R475 PolarHBondContact O-N 2.95Å; A472-R475 WeakPolarHBondContact O-CB 3.21Å; A472-R475 PolarHBondContact O-N 2.9Å; E473-R475 VanDerWaalsContact C-N 3.29Å; E473-R475 PolarHBondContact O-N 3.37Å; R475-T477 VanDerWaalsContact C-N 3.3Å; R475-T477 PolarHBondContact O-N 2.77Å; R475-V478 PolarHBondContact O-N 3.24Å; R475-E479 WeakPolarHBondContact O-CB 3.36Å; R475-E479 WeakPolarHBondContact O-CG 3.42Å; R475-E479 PolarHBondContact O-N 2.76Å
476Y88.3Confident81.1Confident130 Ų13098.9 Ų98.951%0.5149%0.485SS..Hα-helixtrans-53.6-44.7177.4173.3-99.9000112.3A472 E473 E479 R480A472-Y476 PolarHBondContact O-N 2.84Å; E473-Y476 PolarHBondContact O-N 3.49Å; Y476-E479 PolarHBondContact O-N 3.43Å; Y476-R480 WeakPolarHBondContact O-CB 3.26Å; Y476-R480 PolarHBondContact O-N 2.97Å; Y476-R480 PolarHBondContact OH-NH1 3.03Å
477T90Very high83Confident72 Ų72102.3 Ų102.344%0.44249%0.49SS..Hα-helixtrans-66.5-37.2177.445.80000113E473 S474 R475 A481E473-T477 WeakPolarHBondContact O-CB 3.37Å; E473-T477 WeakPolarHBondContact O-CG2 3.27Å; E473-T477 PolarHBondContact O-N 2.83Å; E473-T477 PolarHBondContact O-OG1 2.92Å; S474-T477 WeakPolarHBondContact CA-OG1 3.12Å; S474-T477 PolarHBondContact O-OG1 3.29Å; R475-T477 VanDerWaalsContact C-N 3.3Å; R475-T477 PolarHBondContact O-N 2.77Å; T477-A481 VanDerWaalsContact O-CB 3.23Å; T477-A481 WeakPolarHBondContact O-CB 3.36Å; T477-A481 PolarHBondContact O-N 3.49Å
478V87.4Confident84.5Confident79 Ų7999.3 Ų99.348%0.47948%0.482SS..Hα-helixtrans-69.8-44.1174.8168.10000111.7W469 S474 R475 A481 G482W469-V478 HydrophobicContact CZ3-CG2 3.99Å; S474-V478 WeakPolarHBondContact O-CG2 3.4Å; R475-V478 PolarHBondContact O-N 3.24Å; V478-A481 PolarHBondContact O-N 3.31Å; V478-G482 PolarHBondContact O-N 2.83Å
479E88.2Confident86.1Confident112 Ų11298.3 Ų98.352%0.52347%0.471SS..Hα-helixtrans-62.5-46.7176.6-71.5160.6-156.300110.8R475 Y476 A481 G482 I483R475-E479 WeakPolarHBondContact O-CB 3.36Å; R475-E479 WeakPolarHBondContact O-CG 3.42Å; R475-E479 PolarHBondContact O-N 2.76Å; Y476-E479 PolarHBondContact O-N 3.43Å; E479-A481 PolarHBondContact O-N 2.99Å; E479-G482 PolarHBondContact O-N 2.77Å; E479-I483 WeakPolarHBondContact O-CG1 3.24Å; E479-I483 PolarHBondContact O-N 2.91Å
480R93.4Very high87.9Confident133 Ų13391.7 Ų91.750%0.50245%0.451SS..Hα-helixtrans-61-42.3174.2179.9170.3172.1154.8-5.3112.3Y476 G482 I483 I484Y476-R480 WeakPolarHBondContact O-CB 3.26Å; Y476-R480 PolarHBondContact O-N 2.97Å; Y476-R480 PolarHBondContact OH-NH1 3.03Å; R480-G482 VanDerWaalsContact C-N 3.34Å; R480-I483 PolarHBondContact O-N 3.06Å; R480-I484 HydrophobicContact CG-CD1 3.85Å; R480-I484 WeakPolarHBondContact O-CB 3.41Å; R480-I484 WeakPolarHBondContact O-CD1 3.33Å; R480-I484 VanDerWaalsContact O-CG1 3.24Å; R480-I484 WeakPolarHBondContact O-CG1 3.43Å; R480-I484 PolarHBondContact O-N 3.14Å
481A91.6Very high89.7Confident57 Ų5788.6 Ų88.647%0.47144%0.439SS..Hα-helixtrans-63.7-39.6174.400000112T477 V478 E479 I484 S485T477-A481 VanDerWaalsContact O-CB 3.23Å; T477-A481 WeakPolarHBondContact O-CB 3.36Å; T477-A481 PolarHBondContact O-N 3.49Å; V478-A481 PolarHBondContact O-N 3.31Å; E479-A481 PolarHBondContact O-N 2.99Å; A481-I484 PolarHBondContact O-N 2.96Å; A481-S485 WeakPolarHBondContact O-CB 3.41Å; A481-S485 PolarHBondContact O-N 2.78Å
482G89.9Confident90.3Very high21 Ų2185.8 Ų85.822%0.21644%0.44CS..Hα-helixtrans-57.3-54.6172.100000111.9V478 E479 R480 I484 S485 H486V478-G482 PolarHBondContact O-N 2.83Å; E479-G482 PolarHBondContact O-N 2.77Å; R480-G482 VanDerWaalsContact C-N 3.34Å; G482-I484 VanDerWaalsContact C-N 3.34Å; G482-I484 PolarHBondContact O-N 3.11Å; G482-S485 PolarHBondContact O-N 3.01Å; G482-S485 VanDerWaalsContact O-N 3.08Å; G482-S485 PolarHBondContact O-OG 3.02Å; G482-H486 PolarHBondContact O-CD2 2.88Å; G482-H486 PolarHBondContact O-N 3.13Å
483I92.6Very high91.2Very high96 Ų9685.8 Ų85.849%0.49243%0.425SS..Hα-helixtrans-55.9-46.5177.7-66.1162.5000111.4E479 R480 S485 H486 W487 F678E479-I483 WeakPolarHBondContact O-CG1 3.24Å; E479-I483 PolarHBondContact O-N 2.91Å; R480-I483 PolarHBondContact O-N 3.06Å; I483-S485 VanDerWaalsContact C-N 3.33Å; I483-S485 PolarHBondContact O-N 2.78Å; I483-H486 PolarHBondContact O-N 3.42Å; I483-W487 WeakPolarHBondContact O-CB 3.28Å; I483-W487 PolarHBondContact O-N 2.9Å; I483-F678 HydrophobicContact CG1-CE1 3.97Å; I483-F678 HydrophobicContact CG1-CZ 3.84Å
484I94.3Very high91.9Very high82 Ų8283.7 Ų83.742%0.42142%0.417SS..Hα-helixtrans-63.3-38.4177.9-69165.8000111.4R480 A481 G482 W487 N488R480-I484 HydrophobicContact CG-CD1 3.85Å; R480-I484 WeakPolarHBondContact O-CB 3.41Å; R480-I484 WeakPolarHBondContact O-CD1 3.33Å; R480-I484 VanDerWaalsContact O-CG1 3.24Å; R480-I484 WeakPolarHBondContact O-CG1 3.43Å; R480-I484 PolarHBondContact O-N 3.14Å; A481-I484 PolarHBondContact O-N 2.96Å; G482-I484 VanDerWaalsContact C-N 3.34Å; G482-I484 PolarHBondContact O-N 3.11Å; I484-W487 PolarHBondContact O-N 3.42Å; I484-N488 WeakPolarHBondContact O-CB 3.22Å; I484-N488 PolarHBondContact O-N 3.03Å
485S91.1Very high92.8Very high62 Ų6286.1 Ų86.143%0.43443%0.434SS..Hα-helixtrans-66.6-41.1177.378.20000112.5A481 G482 I483 N488 W489A481-S485 WeakPolarHBondContact O-CB 3.41Å; A481-S485 PolarHBondContact O-N 2.78Å; G482-S485 PolarHBondContact O-N 3.01Å; G482-S485 VanDerWaalsContact O-N 3.08Å; G482-S485 PolarHBondContact O-OG 3.02Å; I483-S485 VanDerWaalsContact C-N 3.33Å; I483-S485 PolarHBondContact O-N 2.78Å; S485-N488 PolarHBondContact O-N 2.86Å; S485-W489 PolarHBondContact O-N 3.32Å
486H91.9Very high93.5Very high36 Ų3681.7 Ų81.717%0.16742%0.422CS..Hα-helixtrans-67.4-40.7176.1-61.2175.1000111G482 I483 W489 L490 I675 L676 F678G482-H486 PolarHBondContact O-CD2 2.88Å; G482-H486 PolarHBondContact O-N 3.13Å; I483-H486 PolarHBondContact O-N 3.42Å; H486-W489 PolarHBondContact O-N 3.26Å; H486-L490 WeakPolarHBondContact O-CG 3.36Å; H486-L490 PolarHBondContact O-N 3.29Å; H486-I675 PolarHBondContact CD2-O 3.26Å; H486-I675 VanDerWaalsContact CD2-O 3.26Å; H486-L676 HydrophobicContact CB-CD2 4.37Å; H486-F678 AromaticContact CE1-CD1 3.93Å; H486-F678 AromaticContact CE1-CE1 3.6Å; H486-F678 AromaticContact CE1-CZ 3.84Å; H486-F678 AromaticContact ND1-CE1 3.54Å; H486-F678 AromaticContact ND1-CE2 3.84Å; H486-F678 AromaticContact ND1-CZ 3.31Å; H486-F678 VanDerWaalsContact ND1-CZ 3.31Å; H486-F678 WeakPolarHBondContact ND1-CZ 3.33Å
487W95Very high94Very high150 Ų15078.9 Ų78.957%0.56842%0.416SS*.Hα-helixtrans-61.2-48174.1176.7-101000112.3I483 I484 W489 L490 Q491I483-W487 WeakPolarHBondContact O-CB 3.28Å; I483-W487 PolarHBondContact O-N 2.9Å; I484-W487 PolarHBondContact O-N 3.42Å; W487-W489 VanDerWaalsContact C-N 3.29Å; W487-W489 PolarHBondContact O-N 3.03Å; W487-L490 PolarHBondContact O-N 3.33Å; W487-Q491 WeakPolarHBondContact O-CB 3.4Å; W487-Q491 PolarHBondContact O-N 3.37Å
488N95.7Very high94.3Very high98 Ų9880.3 Ų80.352%0.52442%0.418SS..Hα-helixtrans-62.7-35.7177.5-78.1-6.9000112.2I484 S485 A492I484-N488 WeakPolarHBondContact O-CB 3.22Å; I484-N488 PolarHBondContact O-N 3.03Å; S485-N488 PolarHBondContact O-N 2.86Å; N488-A492 WeakPolarHBondContact O-CB 3.2Å; N488-A492 PolarHBondContact O-N 3.4Å
489W95.6Very high94.9Very high83 Ų8382.8 Ų82.831%0.31442%0.419SS..Hα-helixtrans-65-45.3173.5-175.991000112.1S485 H486 W487 A492 H493 H673 I675 L676S485-W489 PolarHBondContact O-N 3.32Å; H486-W489 PolarHBondContact O-N 3.26Å; W487-W489 VanDerWaalsContact C-N 3.29Å; W487-W489 PolarHBondContact O-N 3.03Å; W489-A492 PolarHBondContact O-N 3.31Å; W489-H493 WeakPolarHBondContact O-CB 3.4Å; W489-H493 PolarHBondContact O-N 3.02Å; W489-H673 AromaticContact CH2-CE1 3.81Å; W489-I675 HydrophobicContact CB-CG2 4.29Å; W489-I675 HydrophobicContact CD2-CG2 3.77Å; W489-I675 HydrophobicContact CE3-CG2 4.44Å; W489-I675 HydrophobicContact CG-CG2 3.67Å; W489-I675 HydrophobicContact CZ2-CD1 4Å; W489-L676 HydrophobicContact CE3-CD2 3.86Å; W489-L676 HydrophobicContact CE3-CG 4.28Å; W489-L676 HydrophobicContact CZ3-CD1 3.93Å; W489-L676 HydrophobicContact CZ3-CD2 4.1Å; W489-L676 HydrophobicContact CZ3-CG 4.07Å
490L97.1Very high95.3Very high64 Ų6482.6 Ų82.634%0.33541%0.414SS..Hα-helixtrans-60.1-48.4175-74.5169.2000111.4H486 W487 A492 H493 I494 L676H486-L490 WeakPolarHBondContact O-CG 3.36Å; H486-L490 PolarHBondContact O-N 3.29Å; W487-L490 PolarHBondContact O-N 3.33Å; L490-A492 VanDerWaalsContact C-N 3.33Å; L490-A492 PolarHBondContact O-N 3.21Å; L490-H493 PolarHBondContact O-N 2.87Å; L490-H493 VanDerWaalsContact O-N 3.14Å; L490-I494 VanDerWaalsContact O-CG1 3.28Å; L490-I494 WeakPolarHBondContact O-CG1 3.39Å; L490-I494 PolarHBondContact O-N 2.61Å; L490-L676 HydrophobicContact CD1-CD2 4Å; L490-L676 HydrophobicContact CD2-CD1 3.99Å; L490-L676 HydrophobicContact CD2-CD2 3.83Å; L490-L676 HydrophobicContact CG-CD2 3.73Å
491Q97.4Very high95.5Very high97 Ų9781.5 Ų81.545%0.45342%0.417SS..Hα-helixtrans-60.5-42.3-179.3-169.467.56.500111.6W487 S495W487-Q491 WeakPolarHBondContact O-CB 3.4Å; W487-Q491 PolarHBondContact O-N 3.37Å; Q491-S495 WeakPolarHBondContact O-CB 3.37Å; Q491-S495 PolarHBondContact O-N 3.24Å
492A95.9Very high95.8Very high55 Ų5585.2 Ų85.246%0.45542%0.418SS..Hα-helixtrans-61.5-47.3173.500000111.6N488 W489 L490 I494 S495 D496N488-A492 WeakPolarHBondContact O-CB 3.2Å; N488-A492 PolarHBondContact O-N 3.4Å; W489-A492 PolarHBondContact O-N 3.31Å; L490-A492 VanDerWaalsContact C-N 3.33Å; L490-A492 PolarHBondContact O-N 3.21Å; A492-I494 PolarHBondContact O-N 3.49Å; A492-S495 PolarHBondContact O-N 2.95Å; A492-S495 PolarHBondContact O-OG 3.46Å; A492-D496 PolarHBondContact O-N 3.26Å; A492-D496 VanDerWaalsContact O-N 3.09Å
493H95.6Very high96.2Very high84 Ų8488.8 Ų88.839%0.38943%0.429SS..Hα-helixtrans-66.1-35.7-179-152.981.3000112.9W489 L490 L497W489-H493 WeakPolarHBondContact O-CB 3.4Å; W489-H493 PolarHBondContact O-N 3.02Å; L490-H493 PolarHBondContact O-N 2.87Å; L490-H493 VanDerWaalsContact O-N 3.14Å; H493-L497 WeakPolarHBondContact O-CG 3.43Å; H493-L497 PolarHBondContact O-N 2.77Å; H493-L497 VanDerWaalsContact O-N 3.07Å
494I97.6Very high96.5Very high78 Ų7890.2 Ų90.240%0.443%0.434SS..Hα-helixtrans-63.1-48.7171.6-68.9163.5000110.1L490 A492 D496 L497 E498L490-I494 VanDerWaalsContact O-CG1 3.28Å; L490-I494 WeakPolarHBondContact O-CG1 3.39Å; L490-I494 PolarHBondContact O-N 2.61Å; A492-I494 PolarHBondContact O-N 3.49Å; I494-D496 VanDerWaalsContact C-N 3.29Å; I494-D496 PolarHBondContact O-N 3.3Å; I494-L497 WeakPolarHBondContact O-CB 3.4Å; I494-L497 PolarHBondContact O-N 3.02Å; I494-L497 VanDerWaalsContact O-N 3.14Å; I494-E498 HydrophobicContact CG2-CG 4.37Å; I494-E498 WeakPolarHBondContact O-CG 3.16Å; I494-E498 PolarHBondContact O-N 3.21Å
495S96.9Very high96.6Very high60 Ų6089.4 Ų89.442%0.4243%0.433SS..Hα-helixtrans-62.6-33.6-17874.50000113.8Q491 A492 Y499Q491-S495 WeakPolarHBondContact O-CB 3.37Å; Q491-S495 PolarHBondContact O-N 3.24Å; A492-S495 PolarHBondContact O-N 2.95Å; A492-S495 PolarHBondContact O-OG 3.46Å; S495-Y499 WeakPolarHBondContact O-CB 3.49Å; S495-Y499 PolarHBondContact O-N 3.31Å
496D98Very high96.9Very high66 Ų6690 Ų9035%0.35343%0.432SS..Hα-helixtrans-73.2-39.7174.1169.654.6000111.9A492 I494 Y499 R500A492-D496 PolarHBondContact O-N 3.26Å; A492-D496 VanDerWaalsContact O-N 3.09Å; I494-D496 VanDerWaalsContact C-N 3.29Å; I494-D496 PolarHBondContact O-N 3.3Å; D496-Y499 PolarHBondContact O-N 2.67Å; D496-R500 WeakPolarHBondContact O-CB 3.33Å; D496-R500 WeakPolarHBondContact O-CG 3.31Å; D496-R500 PolarHBondContact O-N 2.93Å; D496-R500 IonicContact OD1-NE 2.66Å; D496-R500 PolarHBondContact OD1-NE 3.3Å; D496-R500 IonicContact OD2-CZ 2.66Å; D496-R500 IonicContact OD2-NE 2.7Å; D496-R500 PolarHBondContact OD2-NE 3.04Å; D496-R500 IonicContact OD2-NH2 2.92Å; D496-R500 PolarHBondContact OD2-NH2 3.22Å
497L98.1Very high97.2Very high71 Ų7191.4 Ų91.437%0.37244%0.439SS..Hα-helixtrans-60.7-44.4170.5-75.6167.2000111.6H493 I494 Y499 R500 I501H493-L497 WeakPolarHBondContact O-CG 3.43Å; H493-L497 PolarHBondContact O-N 2.77Å; H493-L497 VanDerWaalsContact O-N 3.07Å; I494-L497 WeakPolarHBondContact O-CB 3.4Å; I494-L497 PolarHBondContact O-N 3.02Å; I494-L497 VanDerWaalsContact O-N 3.14Å; L497-Y499 VanDerWaalsContact C-N 3.32Å; L497-Y499 PolarHBondContact O-N 2.94Å; L497-R500 PolarHBondContact O-N 3.34Å; L497-I501 WeakPolarHBondContact O-CB 3.48Å; L497-I501 WeakPolarHBondContact O-CD1 3.27Å; L497-I501 WeakPolarHBondContact O-CG1 3.25Å; L497-I501 PolarHBondContact O-N 2.8Å
498E97.9Very high97.2Very high103 Ų10390.5 Ų90.548%0.48144%0.437SS..Hα-helixtrans-63-35.9174.4-72.4-179.8166.900112.8I494 R502I494-E498 HydrophobicContact CG2-CG 4.37Å; I494-E498 WeakPolarHBondContact O-CG 3.16Å; I494-E498 PolarHBondContact O-N 3.21Å; E498-R502 WeakPolarHBondContact O-CB 3.46Å; E498-R502 WeakPolarHBondContact O-CG 3.32Å; E498-R502 PolarHBondContact O-N 3.24Å; E498-R502 PolarHBondContact O-NE 3.41Å
499Y98.1Very high97.3Very high131 Ų13191.9 Ų91.951%0.51444%0.435SS..Hα-helixtrans-65.8-48.7173.4179.8-99.1000111.3S495 D496 L497 I501 R502 Q503S495-Y499 WeakPolarHBondContact O-CB 3.49Å; S495-Y499 PolarHBondContact O-N 3.31Å; D496-Y499 PolarHBondContact O-N 2.67Å; L497-Y499 VanDerWaalsContact C-N 3.32Å; L497-Y499 PolarHBondContact O-N 2.94Å; Y499-I501 VanDerWaalsContact C-N 3.33Å; Y499-I501 PolarHBondContact O-N 2.9Å; Y499-R502 WeakPolarHBondContact O-CB 3.4Å; Y499-R502 PolarHBondContact O-N 3.15Å; Y499-Q503 WeakPolarHBondContact O-CB 3.45Å; Y499-Q503 PolarHBondContact O-N 3.31Å
500R98.1Very high97.3Very high108 Ų10894.6 Ų94.641%0.40845%0.451SS..Hα-helixtrans-62.6-36.8177.3-70.8-174.1-84.4136.7-4.7112.3D496 L497 Q504D496-R500 WeakPolarHBondContact O-CB 3.33Å; D496-R500 WeakPolarHBondContact O-CG 3.31Å; D496-R500 PolarHBondContact O-N 2.93Å; D496-R500 IonicContact OD1-NE 2.66Å; D496-R500 PolarHBondContact OD1-NE 3.3Å; D496-R500 IonicContact OD2-CZ 2.66Å; D496-R500 IonicContact OD2-NE 2.7Å; D496-R500 PolarHBondContact OD2-NE 3.04Å; D496-R500 IonicContact OD2-NH2 2.92Å; D496-R500 PolarHBondContact OD2-NH2 3.22Å; L497-R500 PolarHBondContact O-N 3.34Å; R500-Q504 WeakPolarHBondContact O-CB 3.46Å; R500-Q504 PolarHBondContact O-N 3.03Å
501I97.7Very high97.2Very high110 Ų11095 Ų9556%0.56445%0.453SS*.Hα-helixtrans-65-44.3173.2-71.3164000111.3L497 Y499 Q504 T505L497-I501 WeakPolarHBondContact O-CB 3.48Å; L497-I501 WeakPolarHBondContact O-CD1 3.27Å; L497-I501 WeakPolarHBondContact O-CG1 3.25Å; L497-I501 PolarHBondContact O-N 2.8Å; Y499-I501 VanDerWaalsContact C-N 3.33Å; Y499-I501 PolarHBondContact O-N 2.9Å; I501-Q504 PolarHBondContact O-N 2.93Å; I501-T505 WeakPolarHBondContact O-CB 3.41Å; I501-T505 PolarHBondContact O-N 2.96Å; I501-T505 PolarHBondContact O-OG1 3.25Å
502R97.9Very high96.9Very high134 Ų13497 Ų9751%0.50646%0.456SS..Hα-helixtrans-60.7-51.3174.4-77.8173.9-73.4162.4-7.4111.1E498 Y499 Q504 T505 D506E498-R502 WeakPolarHBondContact O-CB 3.46Å; E498-R502 WeakPolarHBondContact O-CG 3.32Å; E498-R502 PolarHBondContact O-N 3.24Å; E498-R502 PolarHBondContact O-NE 3.41Å; Y499-R502 WeakPolarHBondContact O-CB 3.4Å; Y499-R502 PolarHBondContact O-N 3.15Å; R502-Q504 VanDerWaalsContact C-N 3.33Å; R502-Q504 PolarHBondContact O-N 3.26Å; R502-T505 CarbonylContact O-C 3.49Å; R502-T505 WeakPolarHBondContact O-CA 3.48Å; R502-T505 WeakPolarHBondContact O-CB 3.35Å; R502-T505 PolarHBondContact O-N 3.15Å; R502-D506 WeakPolarHBondContact O-CB 3.4Å; R502-D506 PolarHBondContact O-N 3.11Å
503Q98.1Very high96.7Very high96 Ų9698.2 Ų98.245%0.44947%0.466SS..Hα-helixtrans-53.5-47.4177.7-171-176.122.200112.1Y499 T505 D506 I507Y499-Q503 WeakPolarHBondContact O-CB 3.45Å; Y499-Q503 PolarHBondContact O-N 3.31Å; Q503-T505 VanDerWaalsContact C-N 3.33Å; Q503-T505 PolarHBondContact O-N 3.21Å; Q503-D506 PolarHBondContact O-N 3.45Å; Q503-I507 HydrophobicContact CG-CD1 4.16Å; Q503-I507 VanDerWaalsContact O-CG1 3.3Å; Q503-I507 WeakPolarHBondContact O-CG1 3.24Å; Q503-I507 PolarHBondContact O-N 2.81Å
504Q97.4Very high96.5Very high126 Ų12698.8 Ų98.859%0.58948%0.479SS*.Hα-helixtrans-66.3-34.7177.4-170.463.516.700112.6R500 I501 R502 Y508R500-Q504 WeakPolarHBondContact O-CB 3.46Å; R500-Q504 PolarHBondContact O-N 3.03Å; I501-Q504 PolarHBondContact O-N 2.93Å; R502-Q504 VanDerWaalsContact C-N 3.33Å; R502-Q504 PolarHBondContact O-N 3.26Å; Q504-Y508 WeakPolarHBondContact O-CB 3.5Å; Q504-Y508 PolarHBondContact O-N 3.01Å
505T97.6Very high96.1Very high66 Ų66102.4 Ų102.441%0.40549%0.492SS..Hα-helixtrans-70.9-33.8176.2-55.80000111.8I501 R502 Q503 Y508 R509I501-T505 WeakPolarHBondContact O-CB 3.41Å; I501-T505 PolarHBondContact O-N 2.96Å; I501-T505 PolarHBondContact O-OG1 3.25Å; R502-T505 CarbonylContact O-C 3.49Å; R502-T505 WeakPolarHBondContact O-CA 3.48Å; R502-T505 WeakPolarHBondContact O-CB 3.35Å; R502-T505 PolarHBondContact O-N 3.15Å; Q503-T505 VanDerWaalsContact C-N 3.33Å; Q503-T505 PolarHBondContact O-N 3.21Å; T505-Y508 PolarHBondContact O-N 3.42Å; T505-R509 WeakPolarHBondContact O-CG 3.41Å; T505-R509 PolarHBondContact O-N 3.39Å; T505-R509 PolarHBondContact O-NH1 2.71Å
506D97.9Very high95.2Very high75 Ų75102.1 Ų102.140%0.40150%0.499SS..Hα-helixtrans-70-48.5176.4-67.5-2.2000110.6R502 Q503 Y508 R509 Q510R502-D506 WeakPolarHBondContact O-CB 3.4Å; R502-D506 PolarHBondContact O-N 3.11Å; Q503-D506 PolarHBondContact O-N 3.45Å; D506-Y508 VanDerWaalsContact C-N 3.26Å; D506-Y508 PolarHBondContact O-N 3.23Å; D506-R509 PolarHBondContact O-N 3.38Å; D506-R509 IonicContact OD1-CZ 3.34Å; D506-R509 IonicContact OD1-NH1 2.68Å; D506-R509 PolarHBondContact OD1-NH1 3.33Å; D506-R509 IonicContact OD1-NH2 2.67Å; D506-R509 PolarHBondContact OD1-NH2 2.94Å; D506-Q510 PolarHBondContact O-N 3.23Å
507I97.3Very high93.7Very high64 Ų64104 Ų10433%0.32852%0.517SS..Hα-helixtrans-54.9-43170.3-68.3164.8000110.5Q503 R509 Q510 I511Q503-I507 HydrophobicContact CG-CD1 4.16Å; Q503-I507 VanDerWaalsContact O-CG1 3.3Å; Q503-I507 WeakPolarHBondContact O-CG1 3.24Å; Q503-I507 PolarHBondContact O-N 2.81Å; I507-R509 VanDerWaalsContact C-N 3.35Å; I507-R509 PolarHBondContact O-N 3.34Å; I507-Q510 PolarHBondContact O-N 3.35Å; I507-I511 HydrophobicContact CG2-CD1 3.67Å; I507-I511 HydrophobicContact CG2-CG1 4.36Å; I507-I511 WeakPolarHBondContact O-CB 3.49Å; I507-I511 VanDerWaalsContact O-CG1 3.29Å; I507-I511 WeakPolarHBondContact O-CG1 3.31Å; I507-I511 PolarHBondContact O-N 3.4Å
508Y96.1Very high92.3Very high132 Ų132106.4 Ų106.452%0.51854%0.535SS..Hα-helixtrans-72.3-20.7177.6-172.9-114.3000114.6Q504 T505 D506 R512Q504-Y508 WeakPolarHBondContact O-CB 3.5Å; Q504-Y508 PolarHBondContact O-N 3.01Å; T505-Y508 PolarHBondContact O-N 3.42Å; D506-Y508 VanDerWaalsContact C-N 3.26Å; D506-Y508 PolarHBondContact O-N 3.23Å; Y508-R512 VanDerWaalsContact CE1-NE 3.34Å; Y508-R512 WeakPolarHBondContact O-CG 3.45Å; Y508-R512 PolarHBondContact O-NE 2.91Å; Y508-R512 VanDerWaalsContact O-NE 3.12Å
509R96.3Very high90.7Very high126 Ų126109.8 Ų109.848%0.47555%0.55SS.*Hα-helixtrans-75.4-45.8165.4-73.1-163.7-50-69.36110.7T505 D506 I507 I511 R512 A513T505-R509 WeakPolarHBondContact O-CG 3.41Å; T505-R509 PolarHBondContact O-N 3.39Å; T505-R509 PolarHBondContact O-NH1 2.71Å; D506-R509 PolarHBondContact O-N 3.38Å; D506-R509 IonicContact OD1-CZ 3.34Å; D506-R509 IonicContact OD1-NH1 2.68Å; D506-R509 PolarHBondContact OD1-NH1 3.33Å; D506-R509 IonicContact OD1-NH2 2.67Å; D506-R509 PolarHBondContact OD1-NH2 2.94Å; I507-R509 VanDerWaalsContact C-N 3.35Å; I507-R509 PolarHBondContact O-N 3.34Å; R509-I511 PolarHBondContact O-N 2.96Å; R509-R512 PolarHBondContact O-N 3.45Å; R509-A513 PolarHBondContact O-N 3.5Å
510Q95.9Very high88.7Confident141 Ų141111.4 Ų111.466%0.65957%0.567SS**Hα-helixtrans-58.8-46.4179.1-168.1177.910.400111.7D506 I507 R512 A513 S514D506-Q510 PolarHBondContact O-N 3.23Å; I507-Q510 PolarHBondContact O-N 3.35Å; Q510-R512 PolarHBondContact O-N 3Å; Q510-A513 PolarHBondContact O-N 3.22Å; Q510-S514 WeakPolarHBondContact O-CB 3.47Å; Q510-S514 PolarHBondContact O-N 2.87Å; Q510-S514 PolarHBondContact O-OG 3.43Å
511I94.8Very high86.4Confident72 Ų72110.4 Ų110.437%0.36959%0.59SS.*Hα-helixtrans-62.5-28.1175.9-69.6168.7000112.7I507 R509 S514 K515I507-I511 HydrophobicContact CG2-CD1 3.67Å; I507-I511 HydrophobicContact CG2-CG1 4.36Å; I507-I511 WeakPolarHBondContact O-CB 3.49Å; I507-I511 VanDerWaalsContact O-CG1 3.29Å; I507-I511 WeakPolarHBondContact O-CG1 3.31Å; I507-I511 PolarHBondContact O-N 3.4Å; R509-I511 PolarHBondContact O-N 2.96Å; I511-S514 PolarHBondContact O-OG 2.83Å; I511-K515 HydrophobicContact CG2-CD 4.44Å; I511-K515 WeakPolarHBondContact O-CD 3.44Å; I511-K515 VanDerWaalsContact O-CG 3.24Å; I511-K515 WeakPolarHBondContact O-CG 3.32Å
512R92.4Very high84.1Confident139 Ų139108.7 Ų108.753%0.52560%0.6SS.*Hα-helixtrans-80.7-40.7175.1-78-173.4-70.3163.2-1.9111.9Y508 R509 Q510 K515Y508-R512 VanDerWaalsContact CE1-NE 3.34Å; Y508-R512 WeakPolarHBondContact O-CG 3.45Å; Y508-R512 PolarHBondContact O-NE 2.91Å; Y508-R512 VanDerWaalsContact O-NE 3.12Å; R509-R512 PolarHBondContact O-N 3.45Å; Q510-R512 PolarHBondContact O-N 3Å; R512-K515 PolarHBondContact O-N 3.18Å
513A90.8Very high81.6Confident81 Ų81110.8 Ų110.867%0.66962%0.62SS**Hα-helixtrans-63.4-42.3174.100000111.9R509 Q510 K515 G516R509-A513 PolarHBondContact O-N 3.5Å; Q510-A513 PolarHBondContact O-N 3.22Å; A513-K515 PolarHBondContact O-N 3.29Å; A513-K515 VanDerWaalsContact O-N 3.17Å; A513-G516 PolarHBondContact O-N 3.44Å
514S92Very high78.8Confident95 Ų95110.2 Ų110.266%0.66463%0.632SS**THydrogen-bonded Turntrans-72.3-4.5-178.676.30000114.7Q510 I511Q510-S514 WeakPolarHBondContact O-CB 3.47Å; Q510-S514 PolarHBondContact O-N 2.87Å; Q510-S514 PolarHBondContact O-OG 3.43Å; I511-S514 PolarHBondContact O-OG 2.83Å
515K87.7Confident76.6Confident154 Ų154109.9 Ų109.967%0.6764%0.64SS**THydrogen-bonded Turntrans-92-6.1178.2-81.4175.8-179-175.90114I511 R512 A513I511-K515 HydrophobicContact CG2-CD 4.44Å; I511-K515 WeakPolarHBondContact O-CD 3.44Å; I511-K515 VanDerWaalsContact O-CG 3.24Å; I511-K515 WeakPolarHBondContact O-CG 3.32Å; R512-K515 PolarHBondContact O-N 3.18Å; A513-K515 PolarHBondContact O-N 3.29Å; A513-K515 VanDerWaalsContact O-N 3.17Å
516G78Confident73.9Confident55 Ų55112 Ų11257%0.56766%0.658SS**  trans70.2-179.2176.600000114.5A513A513-G516 PolarHBondContact O-N 3.44Å
517S67Low70.8Confident104 Ų104113.3 Ų113.373%0.72768%0.679SS**  trans-77.1140.7165.6-171.40000109.4
518V68.9Low67.7Low123 Ų123115.7 Ų115.775%0.74570%0.696SS**  trans-10194.2173.1-179.60000108.2
519E65.3Low64.8Low173 Ų173117 Ų11781%0.80871%0.711SS**  trans-79.5119.7174.6-65.9-174.1179.900110.2G521E519-G521 PolarHBondContact O-N 2.76Å
520L56.2Low61.7Low166 Ų166116.6 Ų116.687%0.86972%0.723SS**  trans-85.496.5174.5-75.3166.4000108.9G522L520-G522 PolarHBondContact O-N 3.12Å; L520-G522 VanDerWaalsContact O-N 3.17Å
521G49.5Very low58.6Low86 Ų86114.7 Ų114.789%0.88773%0.732SS**  trans-60.9113.2-177.100000113.3E519E519-G521 PolarHBondContact O-N 2.76Å
522G48.7Very low55.7Low74 Ų74114 Ų11476%0.76374%0.743SS**  trans-122.6114.9172.900000111.6L520L520-G522 PolarHBondContact O-N 3.12Å; L520-G522 VanDerWaalsContact O-N 3.17Å
523L45.3Very low53.1Low179 Ų179113.5 Ų113.594%0.93776%0.755SS**  trans-76.9148.4167.8-69169.2000108.9
524A40.4Very low50.1Low84 Ų84117.3 Ų117.369%0.69476%0.759SS**  cis-162.6-154-2.200000106.4
525P50Low47.4Very low118 Ų118119.1 Ų119.177%0.76677%0.766SS**  cis-135.5152.9-15.837.9-19.6000117.1
526S40.9Very low44.9Very low110 Ų110118.7 Ų118.777%0.76976%0.764SS**  trans33107.7142.4-174.90000121.4
527A32.3Very low42.9Very low103 Ų103122.3 Ų122.385%0.85178%0.776SS**  trans-137.9168.2151.900000110.8
528V32.7Very low41.2Very low114 Ų114124 Ų12469%0.69177%0.772SS**  -165.1157.8-123.1141.10000112.6
529L35.7Very low39.4Very low159 Ų159122.2 Ų122.283%0.83277%0.77SS**  trans72163.7-177.4-60179.4000116.8
530T31.4Very low37.8Very low118 Ų118120 Ų12072%0.72477%0.768SS**  cis-176.3150-44.1-89.20000109.3
531A31.6Very low36.8Very low101 Ų101119.6 Ų119.684%0.83577%0.767SS**  trans68.6153.8170.400000117.8
532G32.3Very low36.3Very low59 Ų59118.7 Ų118.761%0.60875%0.751SS**  cis155.9156-11.500000114.2
533T37.4Very low35.8Very low128 Ų128123.8 Ų123.879%0.78576%0.755SS**  trans64.3147.8162.253.90000117.7
534E29.8Very low35.1Very low161 Ų161121.4 Ų121.475%0.75274%0.743SS**  cis-166.5163.80.5-121167.3-133.100112.8
535V34.1Very low35Very low133 Ų133123.5 Ų123.581%0.80675%0.747SS**  trans66.5134.9147.9164.30000119.1
536K34.7Very low34.1Very low145 Ų145121.2 Ų121.263%0.6375%0.745SS**  cis-145.8-113.1-8.1-166.1-157.8169-176.90112.9E538K536-E538 WeakPolarHBondContact CE-OE1 3.28Å; K536-E538 IonicContact NZ-OE1 3.8Å; K536-E538 PolarHBondContact NZ-OE1 3.48Å; K536-E538 IonicContact NZ-OE2 3.84Å; K536-E538 PolarHBondContact NZ-OE2 3.15Å
537T35.8Very low33.8Very low131 Ų131120.2 Ų120.280%0.80474%0.743SS**  trans-155.2-138.9-168.6-35.90000112.2
538E31.6Very low33.8Very low138 Ų138122.3 Ų122.365%0.64574%0.735SS**  cis-164.9132.433.9179.3155.8-12100114.3K536K536-E538 WeakPolarHBondContact CE-OE1 3.28Å; K536-E538 IonicContact NZ-OE1 3.8Å; K536-E538 PolarHBondContact NZ-OE1 3.48Å; K536-E538 IonicContact NZ-OE2 3.84Å; K536-E538 PolarHBondContact NZ-OE2 3.15Å
539A32.2Very low33.8Very low87 Ų87125.6 Ų125.672%0.71974%0.735SS**  trans54.9159.915200000120
540V32.2Very low33.7Very low127 Ų127124 Ų12477%0.7773%0.727SS**  cis-147.212431.8163.40000108.5
541N34.6Very low33.7Very low157 Ų157123.8 Ų123.884%0.8472%0.721SS**  70.7146.695.7-133.611.4000114.5
542A37.8Very low33.6Very low67 Ų67125 Ų12555%0.55471%0.714SS**  cis-161179.314.100000113.9
543Q39.2Very low33.5Very low180 Ų180127.6 Ų127.684%0.84172%0.718SS**  trans74.2144.2152.7-74.8-176.2-44.600120.5
544D31.3Very low33.1Very low130 Ų130126.9 Ų126.970%0.69572%0.719SS**  cis-164.2164.4-18.7-159.12.2000111.7
545V36.6Very low34Very low128 Ų128124.9 Ų124.978%0.77672%0.72SS**  trans64.2135.8169.9-164.40000115.6
546G31.7Very low34.2Very low69 Ų69122.8 Ų122.871%0.71172%0.716SS**  cis125.9132.29.200000110
547A34.6Very low34Very low89 Ų89124.2 Ų124.274%0.73672%0.724SS**  cis-159.51694.500000111.5
548E32.3Very low33.7Very low147 Ų147123 Ų12369%0.68772%0.717SS**  trans63143.6167.6-52.9-75.810300116.9
549R33.3Very low33.6Very low183 Ų183122.8 Ų122.869%0.69173%0.725SS**  cis-167149.3-18.2-114.8-162.6158.384.112105.1
550L33.7Very low33.3Very low126 Ų126121.8 Ų121.866%0.6672%0.724SS**  cis-160.7173.4-8.7-150.363.1000104
551D30.3Very low33Very low113 Ų113121.5 Ų121.560%0.60472%0.722SS**  cis-158.216515.2-164.825.1000113.8
552N30.7Very low32.5Very low126 Ų126121.4 Ų121.467%0.67472%0.717SS**  trans30.396.7154.8-76.9-42.6000122.7
553T28.9Very low32Very low115 Ų115126.3 Ų126.371%0.70673%0.728SS**  107.472.9114.3-50.70000120
554S29.7Very low31.3Very low113 Ų113121.3 Ų121.379%0.7973%0.725SS**  68.3151.9104.4-730000123.5
555P49.4Very low31.7Very low119 Ų119120.2 Ų120.277%0.77373%0.725SS**  trans-146-150.4-130.344.4-22.3000115.7
556A36.6Very low31.1Very low89 Ų89124.5 Ų124.574%0.73673%0.728SS**  trans77154.8151.100000119.8
557H31.2Very low30.8Very low174 Ų174130.3 Ų130.381%0.80673%0.733SS**  cis-166.5153.9-31.5-150.3-123.6000110.9
558V29.3Very low30.5Very low105 Ų105129.9 Ų129.964%0.63674%0.738SS**  trans10.9137.3151.9-175.20000119.7
559T29.2Very low30.4Very low134 Ų134131.4 Ų131.482%0.82275%0.745SS**  -174.6178.985.5-38.40000113.3
560G26.2Very low30.1Very low67 Ų67130 Ų13069%0.69175%0.751SS**  trans-72.5-154179.500000116.9
561T26.9Very low30Very low121 Ų121127.7 Ų127.774%0.74276%0.758SS**  cis-158.2-162.715-42.10000109.7
562E24Very low30.3Very low154 Ų154130.7 Ų130.772%0.7277%0.768SS**  trans71.1168.4170.3-50.9-53.292.900119.3
563Q26.2Very low30.8Very low170 Ų170130.6 Ų130.679%0.79477%0.774SS**  -168.391.1-82.5-100.2-161.860.100110.2
564G26.3Very low30.8Very low76 Ų76130 Ų13078%0.78477%0.77SS**  trans68.5-165.9159.600000119.1
565P38.2Very low30.8Very low107 Ų107132.2 Ų132.270%0.69577%0.774SS**  cis-141.3176.2-22.726.6-2.7000116.3
566W24.7Very low29.8Very low218 Ų218130.3 Ų130.383%0.82678%0.776SS**  trans87.5134162.4-58.693.1000123.2
567K25.8Very low29.5Very low190 Ų190132.3 Ų132.383%0.82678%0.778SS**  trans49.5129.1145.3-77168.5178.8-76.40121.8
568G26.9Very low29.5Very low81 Ų81131.9 Ų131.984%0.83578%0.781SS**  trans-174.2132.2155.600000112.4
569Q30.3Very low29.5Very low178 Ų178131.4 Ų131.483%0.83278%0.782SS**  trans-96.6155.4-173-67.4168.4-75.300113.7
570N28.5Very low29.7Very low154 Ų154135.9 Ų135.982%0.82478%0.784SS**  trans34.3135.2139-54-14.3000121.5
571G30.5Very low29.9Very low78 Ų78140.2 Ų140.280%0.80479%0.788SS**  trans147.6125.114400000116.7
572Q37.2Very low30.2Very low175 Ų175138.8 Ų138.882%0.81879%0.788SS**  trans-92.7155.4161.7-66.5179.2-99.200110.3V574Q572-V574 HydrophobicContact CB-CG2 4.35Å
573P41.3Very low30.5Very low124 Ų124138.1 Ų138.181%0.80579%0.79SS**  -120154.4108.8-4.124.4000111.5
574V28.9Very low30.7Very low102 Ų102135 Ų13562%0.61879%0.787SS**  cis101.311818.1175.70000114.9Q572Q572-V574 HydrophobicContact CB-CG2 4.35Å
575N28.6Very low30.9Very low161 Ų161136.4 Ų136.486%0.86179%0.791SS**  trans70.8143.6162.4-69.3-18.8000121.4
576G30Very low30.7Very low79 Ų79139.5 Ų139.581%0.81480%0.802SS**  trans177.786.3174.100000111.2
577V29.5Very low31Very low130 Ų130132.4 Ų132.479%0.78880%0.796SS**  trans-104.9141.6-178.2171.40000110.3
578L31.3Very low31.4Very low166 Ų166133 Ų13387%0.86980%0.799SS**  trans-157.6148.4152.9-112.4164.9000112.2
579S29.8Very low31.8Very low94 Ų94137 Ų13766%0.65780%0.8SS**  trans-133.4138.7-176-60.70000111.2
580R32.1Very low31.7Very low228 Ų228136.5 Ų136.586%0.8680%0.798SS**  trans-172.4159.6161.8-101.2157.1-163-134.94.6108.6
581M31.6Very low32.3Very low159 Ų159134.7 Ų134.778%0.78380%0.795SS**  cis-178.6142-40.5-107.6165.1-14900106.8
582A31.9Very low32.3Very low90 Ų90135.4 Ų135.474%0.74479%0.793SS**  trans67.2130.3153.900000122.4
583D30.3Very low32.1Very low141 Ų141136.2 Ų136.275%0.75479%0.79SS**  trans72.7101.7137.9-71.9-60.7000125.9
584S30.4Very low31.8Very low104 Ų104137.4 Ų137.473%0.72779%0.789SS**  57.4107.4104.1-51.30000121.6
585A31.8Very low32.7Very low106 Ų106136.9 Ų136.988%0.87679%0.79SS**  -163.1158.3129.700000111.8
586D32.6Very low33.7Very low172 Ų172134.6 Ų134.692%0.9278%0.782SS**  trans-85.6153.7179.3-147.9-30.5000111.9
587G31.8Very low34.5Very low68 Ų68136.8 Ų136.870%0.70178%0.784SS**  trans-177101.8-174.400000116.5L589G587-L589 PolarHBondContact O-N 2.8Å
588K32.9Very low35Very low204 Ų204137.2 Ų137.289%0.88779%0.786SS**  trans-59.2129.8167.7-70.5172.6175.9170.90111.3
589L35.5Very low35.5Very low164 Ų164133 Ų13386%0.85978%0.776SS**  168.5142.3119.7-89.3160.2000111.8G587G587-L589 PolarHBondContact O-N 2.8Å
590Q29.9Very low36.1Very low167 Ų167133 Ų13378%0.7878%0.781SS**  trans-94.7147.3157.1-80.9-80.1-33.100106.9
591P39.3Very low37.1Very low117 Ų117132.1 Ų132.176%0.7678%0.778SS**  -151.6-16885.441.7-23.2000115.3
592A31Very low37.9Very low93 Ų93129.2 Ų129.277%0.76977%0.769SS**  trans70.491.6167.800000116.8
593Y34.2Very low39.1Very low192 Ų192135.6 Ų135.675%0.75377%0.774SS**  trans-99.9127.3146.390.3-90.7000107.8S595Y593-S595 WeakPolarHBondContact CE2-OG 3.46Å; Y593-S595 PolarHBondContact OH-OG 2.86Å
594D34.7Very low39.7Very low149 Ų149134.6 Ų134.680%0.79778%0.775SS**  trans-79.2139171.6-91.1-51.8000110.8T596D594-T596 VanDerWaalsContact C-N 3.32Å; D594-T596 PolarHBondContact O-N 2.9Å
595S47.8Very low40.5Very low91 Ų91137.3 Ų137.364%0.63678%0.781SS**SBendtrans-87.758.7-166.6-72.50000114Y593Y593-S595 WeakPolarHBondContact CE2-OG 3.46Å; Y593-S595 PolarHBondContact OH-OG 2.86Å
596T49.3Very low41.5Very low112 Ų112140 Ų14069%0.68778%0.779SS**  trans-135.2137.2176.8-30.70000111.9D594D594-T596 VanDerWaalsContact C-N 3.32Å; D594-T596 PolarHBondContact O-N 2.9Å
597C47.5Very low42.3Very low126 Ų126135.1 Ų135.185%0.85177%0.769SS**  trans63.562.8167.1-64.40000119.5
598V39.3Very low42.9Very low138 Ų138135.9 Ų135.984%0.83676%0.762SS**  trans-133142.3155-172.20000111.2
599A40.6Very low44Very low79 Ų79137.7 Ų137.765%0.65376%0.764SS**  trans-69.6149.9-168.700000115.2R601A599-R601 PolarHBondContact O-N 3.37Å
600A43.3Very low44.7Very low94 Ų94141.7 Ų141.778%0.77777%0.767SS**THydrogen-bonded Turntrans-66.25.4-171.100000117.4
601R53.5Low45.9Very low209 Ų209143.9 Ų143.979%0.78977%0.769SS**THydrogen-bonded Turntrans-89.7-4.5-171.6-74.8-176.4171.8159.5-1.1115.6A599A599-R601 PolarHBondContact O-N 3.37Å
602T48.1Very low46.8Very low98 Ų98149.3 Ų149.360%0.60177%0.774SS**  trans-141.171177.451.30000112.3P224P224-T602 HydrophobicContact CG-CG2 4.2Å
603R56.7Low47.7Very low224 Ų224153.3 Ų153.385%0.84578%0.781SS**  trans-91.7133.6158.3-76.2-173.5173.3-175.9-1.7109.3L605R603-L605 PolarHBondContact O-N 3.33Å
604P43.5Very low48.6Very low119 Ų119149 Ų14977%0.77377%0.77SS**  trans-59134.1169.2-22.333.5000110.7I606P604-I606 PolarHBondContact O-N 3.07Å; P604-I606 VanDerWaalsContact O-N 3.08Å
605L47.3Very low49.6Very low161 Ų161147.8 Ų147.884%0.84376%0.76SS**  trans-70.1106173.7-72.2175.1000109.5R603 G607R603-L605 PolarHBondContact O-N 3.33Å; L605-G607 PolarHBondContact O-N 3.34Å
606I52.7Low49.7Very low164 Ų164146.3 Ų146.384%0.84175%0.748SS**  trans-53.2133.1173.1-59.1175.6000108.7P604 C608P604-I606 PolarHBondContact O-N 3.07Å; P604-I606 VanDerWaalsContact O-N 3.08Å; I606-C608 PolarHBondContact O-N 2.94Å
607G48.6Very low49.8Very low69 Ų69147.2 Ų147.271%0.71175%0.749SS**  trans-51.8104.4-156.300000115.5L605 R609L605-G607 PolarHBondContact O-N 3.34Å; G607-R609 PolarHBondContact O-N 2.77Å
608C44.5Very low50.1Low83 Ų83145.7 Ų145.756%0.56174%0.736SS**  trans-62.7101170.5-77.90000110.3I606 R610I606-C608 PolarHBondContact O-N 2.94Å; C608-R610 PolarHBondContact O-N 3.03Å
609R57.4Low50.9Low242 Ų242140.2 Ų140.291%0.91370%0.703SS**  trans-52.3133.5168.1-73.9-172.5174.5-165.8-0.8109.1G607 R611G607-R609 PolarHBondContact O-N 2.77Å; R609-R611 PolarHBondContact O-N 3.12Å
610R48.8Very low51.4Low249 Ų249141.9 Ų141.994%0.9471%0.705SS**  trans-39.8107.8-166.1-65.7178.9179.4173.8-0.7112.8C608 R612C608-R610 PolarHBondContact O-N 3.03Å; R610-R612 PolarHBondContact O-N 3.23Å
611R55.1Low51.6Low213 Ų213144.2 Ų144.280%0.80470%0.704SS**  trans-61.5122.7168.2-61.2-174.9-173.8-141.70.6107.5R609 L613R609-R611 PolarHBondContact O-N 3.12Å; R611-L613 PolarHBondContact O-N 3.28Å
612R58.3Low51.5Low231 Ų231141 Ų14187%0.87270%0.702SS**  trans-68.6129.4175-63.1-174-164.8-179.46.3108.3R610 I614R610-R612 PolarHBondContact O-N 3.23Å; R612-I614 PolarHBondContact O-N 2.92Å; R612-I614 VanDerWaalsContact O-N 3.16Å
613L49.8Very low51.3Low176 Ų176141.9 Ų141.992%0.92170%0.703SS**  trans-70.7107.8168.4-160.578.3000107.5R611 Q615R611-L613 PolarHBondContact O-N 3.28Å; L613-Q615 PolarHBondContact O-N 3.44Å
614I54.8Low51Low102 Ų102135.1 Ų135.152%0.52370%0.703SS.*  trans-89.3105.9177.5-59.1179.7000107.5R612 V619R612-I614 PolarHBondContact O-N 2.92Å; R612-I614 VanDerWaalsContact O-N 3.16Å; I614-V619 HydrophobicContact CG2-CG2 3.39Å
615Q53.7Low51Low123 Ų123137.6 Ų137.658%0.57570%0.702SS**  trans-72.1131.6174.4-159.917425.500108.7L613 N617 T618L613-Q615 PolarHBondContact O-N 3.44Å; Q615-N617 PolarHBondContact O-N 2.79Å; Q615-T618 HydrophobicContact CB-CG2 4.44Å; Q615-T618 PolarHBondContact O-N 3.29Å; Q615-T618 PolarHBondContact O-OG1 2.73Å
616P51.6Low50.8Low61 Ų61135.2 Ų135.240%0.39669%0.694SS.*G310 helixtrans-52.7-36-173.8-29.936000113.9T618 V619P616-T618 PolarHBondContact O-N 2.84Å; P616-T618 VanDerWaalsContact O-N 3.1Å; P616-V619 PolarHBondContact O-N 3.18Å
617N50.7Low50.4Low130 Ų130133.2 Ų133.270%0.69569%0.692SS**G310 helixtrans-63.8-13.9-179.5-567.4000114.1Q615Q615-N617 PolarHBondContact O-N 2.79Å
618T54.4Low50.5Low94 Ų94138.4 Ų138.458%0.57769%0.689SS**G310 helixtrans-102.41.7-179.465.90000114.2Q615 P616Q615-T618 HydrophobicContact CB-CG2 4.44Å; Q615-T618 PolarHBondContact O-N 3.29Å; Q615-T618 PolarHBondContact O-OG1 2.73Å; P616-T618 PolarHBondContact O-N 2.84Å; P616-T618 VanDerWaalsContact O-N 3.1Å
619V54.7Low50.6Low24 Ų24140.1 Ų140.115%0.14570%0.703CS.*  trans-85.4-7.8-172.9-173.60000113.4I614 P616 N621 L622 V643I614-V619 HydrophobicContact CG2-CG2 3.39Å; P616-V619 PolarHBondContact O-N 3.18Å; V619-N621 PolarHBondContact O-N 2.83Å; V619-L622 HydrophobicContact CG1-CD1 4.28Å; V619-L622 PolarHBondContact O-N 2.97Å; V619-V643 HydrophobicContact CG1-CG1 4.19Å; V619-V643 HydrophobicContact CG1-CG2 4.31Å; V619-V643 HydrophobicContact CG2-CG2 3.99Å
620T51.3Low50.1Low114 Ų114133.7 Ų133.770%0.69970%0.695SS**THydrogen-bonded Turntrans-60.6-6.8-169.753.50000116.8
621N48.5Very low49.8Very low143 Ų143124.8 Ų124.877%0.76567%0.67SS**THydrogen-bonded Turntrans-134.228.9-174.5-80.8-85.9000115V619 N623V619-N621 PolarHBondContact O-N 2.83Å; N621-N623 PolarHBondContact O-N 2.63Å
622L51.6Low49.4Very low142 Ų142120.7 Ų120.774%0.74367%0.669SS**SBendtrans-77.870.6167.1-65.8-175.6000112V619 G624V619-L622 HydrophobicContact CG1-CD1 4.28Å; V619-L622 PolarHBondContact O-N 2.97Å; L622-G624 PolarHBondContact O-N 2.96Å
623N43.6Very low49.1Very low115 Ų115117.8 Ų117.862%0.61567%0.665SS**  trans12.2100.3163.3-168.26.6000116.6N621 K625N621-N623 PolarHBondContact O-N 2.63Å; N623-K625 PolarHBondContact O-N 2.8Å; N623-K625 WeakPolarHBondContact OD1-CD 3.45Å; N623-K625 WeakPolarHBondContact OD1-CG 3.34Å
624G50.4Low49.2Very low82 Ų82110.9 Ų110.985%0.84563%0.631SS**SBendtrans-7251.2-179.100000115.6L622L622-G624 PolarHBondContact O-N 2.96Å
625K43.3Very low49.3Very low172 Ų172111 Ų11175%0.74864%0.641SS**  trans-118.525.8-178.2-72.1-174.2179.8-174.40113.7N623N623-K625 PolarHBondContact O-N 2.8Å; N623-K625 WeakPolarHBondContact OD1-CD 3.45Å; N623-K625 WeakPolarHBondContact OD1-CG 3.34Å
626T42.4Very low49.7Very low110 Ų110106.8 Ų106.868%0.67563%0.625SS**SBendtrans-141.9113.4175.1-45.60000110.1R628T626-R628 PolarHBondContact O-N 3.15Å
627P45Very low49.8Very low123 Ų123111.3 Ų111.380%0.79963%0.634SS**  trans-73.697176.330.1-32.7000109.5S629P627-S629 VanDerWaalsContact C-N 3.31Å; P627-S629 PolarHBondContact O-N 3.02Å
628R50.3Low49.9Very low177 Ų177111.8 Ų111.867%0.66864%0.641SS**  trans-78.484.4169-74.6-170-76.9150.6-2.1109T626 S630T626-R628 PolarHBondContact O-N 3.15Å; R628-S630 PolarHBondContact O-N 2.87Å
629S46.3Very low49.8Very low120 Ų120111.1 Ų111.184%0.83963%0.634SS**THydrogen-bonded Turntrans-67.15.2-176.149.20000115.7P627P627-S629 VanDerWaalsContact C-N 3.31Å; P627-S629 PolarHBondContact O-N 3.02Å
630S46.8Very low49.9Very low106 Ų106115.4 Ų115.474%0.74166%0.663SS**THydrogen-bonded Turntrans-14545.5-171.254.50000113.6R628 T632R628-S630 PolarHBondContact O-N 2.87Å; S630-T632 PolarHBondContact O-N 3.09Å
631C43.8Very low50.1Low63 Ų63112.2 Ų112.243%0.42665%0.645SS.*  trans-79.9111.3156.4-169.50000108.4
632T46.7Very low51.1Low126 Ų126106.7 Ų106.777%0.77362%0.617SS**  trans-55.8145.3165.838.30000110S630 C634S630-T632 PolarHBondContact O-N 3.09Å; T632-C634 PolarHBondContact O-N 3.02Å
633Q51.4Low51.7Low171 Ų171103.1 Ų103.180%0.79960%0.601SS**  trans-55.5107-164.2-170.9173.68.200112.3
634C52.7Low52.4Low31 Ų31103.9 Ų103.921%0.20960%0.602CS.*  trans-69.9139.4173.788.50000109.8T632 C636T632-C634 PolarHBondContact O-N 3.02Å; C634-C636 HydrophobicContact CB-CB 3.83Å; C634-C636 WeakPolarHBondContact CB-SG 3.44Å; C634-C636 PolarHBondContact O-N 3.32Å; C634-C636 WeakPolarHBondContact SG-CB 3.08Å; C634-C636 PolarHBondContact SG-N 3.27Å; C634-C636 CovalentContact SG-SG 2.04Å; C634-C636 PolarHBondContact SG-SG 2.74Å
635S55.7Low53.2Low104 Ų104101.1 Ų101.173%0.72757%0.57SS**  trans-76.511.916651.70000112.8R637S635-R637 VanDerWaalsContact C-N 3.26Å; S635-R637 PolarHBondContact O-N 3.27Å
636C62.4Low53.9Low34 Ų3495.2 Ų95.223%0.2356%0.557CS.*  trans-83.844.4-157.769.60000115.3C634 V638 C642 C645C634-C636 HydrophobicContact CB-CB 3.83Å; C634-C636 WeakPolarHBondContact CB-SG 3.44Å; C634-C636 PolarHBondContact O-N 3.32Å; C634-C636 WeakPolarHBondContact SG-CB 3.08Å; C634-C636 PolarHBondContact SG-N 3.27Å; C634-C636 CovalentContact SG-SG 2.04Å; C634-C636 PolarHBondContact SG-SG 2.74Å; C636-V638 VanDerWaalsContact C-N 3.28Å; C636-V638 PolarHBondContact O-N 3.07Å; C636-C642 HydrophobicContact CB-CB 4.04Å; C636-C642 VanDerWaalsContact SG-CB 3.51Å; C636-C642 PolarHBondContact SG-SG 2.92Å; C636-C645 PolarHBondContact SG-SG 2.92Å
637R54.6Low54.5Low156 Ų15691.3 Ų91.359%0.58954%0.539SS*.THydrogen-bonded Turntrans-65.1-23.5-179.9-72.8-167.6174.9-177.28.6115.2S635 R667S635-R637 VanDerWaalsContact C-N 3.26Å; S635-R637 PolarHBondContact O-N 3.27Å; R637-R667 VanDerWaalsContact CZ-O 3.26Å; R637-R667 PolarHBondContact NH1-O 2.7Å; R637-R667 PolarHBondContact NH2-O 2.71Å
638V51.8Low54.7Low141 Ų14195 Ų9586%0.85554%0.537SS*.THydrogen-bonded Turntrans-84.2-14.8-172.1-158.50000113C636C636-V638 VanDerWaalsContact C-N 3.28Å; C636-V638 PolarHBondContact O-N 3.07Å
639N53Low54.9Low80 Ų8091.7 Ų91.743%0.42854%0.539SS..  trans-134.2107.5-176.4-172.2-11.9000112.7S641 C642N639-S641 PolarHBondContact ND2-OG 3.05Å; N639-S641 PolarHBondContact O-N 3.22Å; N639-S641 VanDerWaalsContact O-N 3.09Å; N639-S641 WeakPolarHBondContact OD1-CB 3.36Å; N639-S641 PolarHBondContact OD1-N 2.89Å; N639-S641 PolarHBondContact OD1-OG 2.86Å; N639-C642 PolarHBondContact O-N 3.19Å
640P56.3Low55.2Low114 Ų11488.6 Ų88.674%0.7452%0.515SS*.THydrogen-bonded Turntrans-70.4-1.417931.3-36.5000114.2G647P640-G647 WeakPolarHBondContact O-CA 3.22Å
641S55.6Low55.1Low46 Ų4689.2 Ų89.232%0.32252%0.517SS..THydrogen-bonded Turntrans-104.714.8175.869.90000114N639 V643N639-S641 PolarHBondContact ND2-OG 3.05Å; N639-S641 PolarHBondContact O-N 3.22Å; N639-S641 VanDerWaalsContact O-N 3.09Å; N639-S641 WeakPolarHBondContact OD1-CB 3.36Å; N639-S641 PolarHBondContact OD1-N 2.89Å; N639-S641 PolarHBondContact OD1-OG 2.86Å; S641-V643 PolarHBondContact O-N 3.36Å; S641-V643 VanDerWaalsContact O-N 3.09Å
642C69.6Low55.4Low27 Ų2797.5 Ų97.518%0.18254%0.539CS..  trans-58117.4-177.7-176.70000112.4C636 N639 M644 C645 G646 G647C636-C642 HydrophobicContact CB-CB 4.04Å; C636-C642 VanDerWaalsContact SG-CB 3.51Å; C636-C642 PolarHBondContact SG-SG 2.92Å; N639-C642 PolarHBondContact O-N 3.19Å; C642-M644 PolarHBondContact O-N 3.35Å; C642-C645 PolarHBondContact O-N 3.33Å; C642-G646 WeakPolarHBondContact O-CA 3.29Å; C642-G646 PolarHBondContact O-N 2.92Å; C642-G647 PolarHBondContact O-N 2.88Å
643V63.1Low55.6Low68 Ų6896.8 Ų96.841%0.41253%0.527SS..THydrogen-bonded Turntrans-63.5-24.5-174-171.20000113.1V619 S641V619-V643 HydrophobicContact CG1-CG1 4.19Å; V619-V643 HydrophobicContact CG1-CG2 4.31Å; V619-V643 HydrophobicContact CG2-CG2 3.99Å; S641-V643 PolarHBondContact O-N 3.36Å; S641-V643 VanDerWaalsContact O-N 3.09Å
644M58.9Low55.7Low130 Ų13095.5 Ų95.564%0.6452%0.521SS*.THydrogen-bonded Turntrans-76-52179.6-70.3-178.664.700112.5C642C642-M644 PolarHBondContact O-N 3.35Å
645C66.4Low56Low25 Ų2596.5 Ų96.517%0.16953%0.527CS..THydrogen-bonded Turntrans-86.6-10.3177.973.40000113.9C636 C642 G647 W648C636-C645 PolarHBondContact SG-SG 2.92Å; C642-C645 PolarHBondContact O-N 3.33Å; C645-G647 VanDerWaalsContact C-N 3.29Å; C645-G647 PolarHBondContact O-N 2.89Å; C645-G647 PolarHBondContact SG-N 3.33Å; C645-W648 PolarHBondContact O-N 3.44Å
646G58.2Low56.2Low47 Ų4796.1 Ų96.149%0.48551%0.513SS..THydrogen-bonded Turntrans69.123.2-175.600000114.2C642 W648C642-G646 WeakPolarHBondContact O-CA 3.29Å; C642-G646 PolarHBondContact O-N 2.92Å; G646-W648 PolarHBondContact O-N 2.91Å
647G55.8Low56.2Low28 Ų2899.2 Ų99.229%0.28952%0.521SS..THydrogen-bonded Turntrans74.34-176.300000115.2P640 C642 C645P640-G647 WeakPolarHBondContact O-CA 3.22Å; C642-G647 PolarHBondContact O-N 2.88Å; C645-G647 VanDerWaalsContact C-N 3.29Å; C645-G647 PolarHBondContact O-N 2.89Å; C645-G647 PolarHBondContact SG-N 3.33Å
648W50Low56.9Low201 Ų201100.9 Ų100.976%0.76154%0.536SS*.PPolyproline II helixtrans-62.7125.3175-78.281000109.7C645 G646 T650C645-W648 PolarHBondContact O-N 3.44Å; G646-W648 PolarHBondContact O-N 2.91Å; W648-T650 PolarHBondContact O-N 3.19Å
649P52.8Low58Low108 Ų10896 Ų9670%0.70150%0.504SS*.PPolyproline II helixtrans-61.6134.1169.627.2-32.6000107.9
650T52.7Low59.3Low55 Ų5596.3 Ų96.334%0.33751%0.511SS..PPolyproline II helixtrans-47.9143.6162.1510000108.4W648 R652W648-T650 PolarHBondContact O-N 3.19Å; T650-R652 PolarHBondContact O-N 3.49Å
651P44.8Very low60.5Low119 Ų11993.7 Ų93.777%0.77349%0.493SS*.  trans-43.9137.5173.7-28.235000109.9E653P651-E653 VanDerWaalsContact C-N 3.26Å; P651-E653 PolarHBondContact O-N 2.86Å
652R50.7Low61.8Low236 Ų23693 Ų9389%0.89149%0.486SS*.  trans-65100.9169.7-79.3-151.4-175.6-71.30.4106.3T650 E654T650-R652 PolarHBondContact O-N 3.49Å; R652-E654 PolarHBondContact O-N 3.29Å; R652-E654 VanDerWaalsContact O-N 3.16Å
653E51.9Low62.6Low112 Ų11294.4 Ų94.452%0.52349%0.489SS..  trans-50.5119.2163.7-163.3169.8-91.800106.6P651 R667P651-E653 VanDerWaalsContact C-N 3.26Å; P651-E653 PolarHBondContact O-N 2.86Å; E653-R667 WeakPolarHBondContact OE2-CD 3.27Å; E653-R667 IonicContact OE2-CZ 3.27Å; E653-R667 IonicContact OE2-NE 2.69Å; E653-R667 IonicContact OE2-NH1 3.58Å; E653-R667 PolarHBondContact OE2-NH1 3.39Å
654E53Low63.6Low143 Ų14393.6 Ų93.667%0.66848%0.479SS*.  trans-56.1132.1179.9-164.364.9-116.900107.1R652 Q656R652-E654 PolarHBondContact O-N 3.29Å; R652-E654 VanDerWaalsContact O-N 3.16Å; E654-Q656 PolarHBondContact O-N 3.16Å
655P57.9Low64.6Low53 Ų5387.4 Ų87.434%0.34445%0.448SS..  trans-66105.4-171.2-14.828.2000109.1Y657P655-Y657 HydrophobicContact CB-CD2 4.06Å; P655-Y657 HydrophobicContact CB-CE1 4.47Å; P655-Y657 HydrophobicContact CB-CE2 3.62Å; P655-Y657 HydrophobicContact CG-CE2 4.09Å; P655-Y657 WeakPolarHBondContact O-CD2 3.31Å; P655-Y657 PolarHBondContact O-N 3.22Å
656Q60.2Low65.5Low95 Ų9587.2 Ų87.244%0.44445%0.447SS..  trans-70.479.6178.8-68.2-177.3-63.600108.8E654 E658 L659 R664E654-Q656 PolarHBondContact O-N 3.16Å; Q656-E658 PolarHBondContact O-N 2.95Å; Q656-E658 VanDerWaalsContact O-N 3.11Å; Q656-L659 HydrophobicContact CB-CD1 3.6Å; Q656-L659 HydrophobicContact CB-CG 3.88Å; Q656-L659 HydrophobicContact CG-CD1 4.49Å; Q656-L659 WeakPolarHBondContact O-CB 3.5Å; Q656-L659 PolarHBondContact O-N 3.03Å; Q656-R664 WeakPolarHBondContact O-CD 3.48Å
657Y63.8Low66.4Low100 Ų10088.7 Ų88.739%0.39244%0.438SS..THydrogen-bonded Turntrans-62.7-15.6-173.9-78.8-72000114P655 L659 Q697P655-Y657 HydrophobicContact CB-CD2 4.06Å; P655-Y657 HydrophobicContact CB-CE1 4.47Å; P655-Y657 HydrophobicContact CB-CE2 3.62Å; P655-Y657 HydrophobicContact CG-CE2 4.09Å; P655-Y657 WeakPolarHBondContact O-CD2 3.31Å; P655-Y657 PolarHBondContact O-N 3.22Å; Y657-L659 VanDerWaalsContact C-N 3.26Å; Y657-L659 PolarHBondContact O-N 3.12Å; Y657-Q697 PolarHBondContact OH-OE1 2.89Å
658E69.6Low67.5Low191 Ų19190.3 Ų90.389%0.89344%0.44SS*.THydrogen-bonded Turntrans-68.5-21.9172.8-61.3177.5133.200113.2Q656Q656-E658 PolarHBondContact O-N 2.95Å; Q656-E658 VanDerWaalsContact O-N 3.11Å
659L73.3Confident68.9Low38 Ų3883.9 Ų83.920%0.19942%0.421CS..SBendtrans-77.5149.4-175.2-61.4174.3000112.8Q656 Y657 R664Q656-L659 HydrophobicContact CB-CD1 3.6Å; Q656-L659 HydrophobicContact CB-CG 3.88Å; Q656-L659 HydrophobicContact CG-CD1 4.49Å; Q656-L659 WeakPolarHBondContact O-CB 3.5Å; Q656-L659 PolarHBondContact O-N 3.03Å; Y657-L659 VanDerWaalsContact C-N 3.26Å; Y657-L659 PolarHBondContact O-N 3.12Å; L659-R664 HydrophobicContact CB-CG 3.88Å; L659-R664 WeakPolarHBondContact O-CD 3.3Å; L659-R664 PolarHBondContact O-NE 2.97Å
660P80.1Confident70.2Confident86 Ų8685.8 Ų85.856%0.55842%0.424SS*.  trans-49.8141.7173.2-2835.9000112.7L662 E663 R664P660-L662 PolarHBondContact O-N 3.19Å; P660-L662 VanDerWaalsContact O-N 3.16Å; P660-E663 PolarHBondContact O-N 3.18Å; P660-R664 PolarHBondContact O-N 2.98Å; P660-R664 VanDerWaalsContact O-N 3.07Å
661T81.5Confident71.6Confident59 Ų5986.2 Ų86.236%0.36244%0.439SS..Hα-helixtrans-52.6-41.4-175.8-62.90000112.7E663 R664 L665T661-E663 VanDerWaalsContact C-N 3.34Å; T661-E663 PolarHBondContact O-N 3.17Å; T661-R664 PolarHBondContact O-N 2.85Å; T661-R664 PolarHBondContact OG1-NH2 3.36Å; T661-L665 HydrophobicContact CG2-CD1 3.73Å; T661-L665 HydrophobicContact CG2-CG 4.47Å; T661-L665 WeakPolarHBondContact O-CB 3.48Å; T661-L665 WeakPolarHBondContact O-CD1 3.28Å; T661-L665 VanDerWaalsContact O-CG 3.24Å; T661-L665 WeakPolarHBondContact O-CG 3.33Å; T661-L665 PolarHBondContact O-N 3.2Å
662L83.9Confident73.6Confident33 Ų3380.9 Ų80.917%0.17340%0.404CS..Hα-helixtrans-69-30.2-179.2-156.768.4000113.2P660 L665 S666 V672 H673 S677 V682P660-L662 PolarHBondContact O-N 3.19Å; P660-L662 VanDerWaalsContact O-N 3.16Å; L662-L665 PolarHBondContact O-N 3.09Å; L662-S666 PolarHBondContact O-N 3.2Å; L662-V672 HydrophobicContact CD1-CG1 3.51Å; L662-V672 HydrophobicContact CG-CG1 3.94Å; L662-H673 WeakPolarHBondContact CD2-O 3.37Å; L662-S677 WeakPolarHBondContact CD2-O 3.44Å; L662-V682 HydrophobicContact CD1-CG2 3.8Å
663E85.3Confident75.4Confident56 Ų5673.1 Ų73.126%0.26238%0.378SS..Hα-helixtrans-74.7-35.5173.6-158.3-158.6141.700112P660 T661 L665 S666 R667 P674P660-E663 PolarHBondContact O-N 3.18Å; T661-E663 VanDerWaalsContact C-N 3.34Å; T661-E663 PolarHBondContact O-N 3.17Å; E663-L665 PolarHBondContact O-N 3.1Å; E663-S666 PolarHBondContact O-OG 2.84Å; E663-R667 WeakPolarHBondContact O-CG 3.39Å; E663-R667 PolarHBondContact O-N 3.05Å; E663-R667 IonicContact OE1-CZ 3.31Å; E663-R667 IonicContact OE1-NE 2.72Å; E663-R667 IonicContact OE1-NH2 3.12Å; E663-R667 PolarHBondContact OE1-NH2 3.46Å; E663-P674 HydrophobicContact CB-CB 4.19Å; E663-P674 HydrophobicContact CG-CB 4.19Å
664R84.2Confident77.1Confident50 Ų5070.1 Ų70.119%0.18937%0.368CS..Hα-helixtrans-66.8-28171-65.6-174.5-74.31261.2112.1Q656 L659 P660 T661 L668Q656-R664 WeakPolarHBondContact O-CD 3.48Å; L659-R664 HydrophobicContact CB-CG 3.88Å; L659-R664 WeakPolarHBondContact O-CD 3.3Å; L659-R664 PolarHBondContact O-NE 2.97Å; P660-R664 PolarHBondContact O-N 2.98Å; P660-R664 VanDerWaalsContact O-N 3.07Å; T661-R664 PolarHBondContact O-N 2.85Å; T661-R664 PolarHBondContact OG1-NH2 3.36Å; R664-L668 WeakPolarHBondContact O-CG 3.46Å
665L81.2Confident78.7Confident1 Ų166.6 Ų66.61%0.00535%0.353CS..Hα-helixtrans-81.5-39176.7-71.5163.2000113.1T661 L662 E663 R667 L668 D669 V672 V682 L686T661-L665 HydrophobicContact CG2-CD1 3.73Å; T661-L665 HydrophobicContact CG2-CG 4.47Å; T661-L665 WeakPolarHBondContact O-CB 3.48Å; T661-L665 WeakPolarHBondContact O-CD1 3.28Å; T661-L665 VanDerWaalsContact O-CG 3.24Å; T661-L665 WeakPolarHBondContact O-CG 3.33Å; T661-L665 PolarHBondContact O-N 3.2Å; L662-L665 PolarHBondContact O-N 3.09Å; E663-L665 PolarHBondContact O-N 3.1Å; L665-R667 PolarHBondContact O-N 3.39Å; L665-L668 CarbonylContact O-C 3.36Å; L665-L668 WeakPolarHBondContact O-CA 3.38Å; L665-L668 WeakPolarHBondContact O-CB 3.4Å; L665-L668 PolarHBondContact O-N 2.89Å; L665-D669 PolarHBondContact O-N 2.95Å; L665-V672 HydrophobicContact CB-CG1 4.08Å; L665-V682 HydrophobicContact CD1-CB 4.39Å; L665-V682 HydrophobicContact CD1-CG1 3.69Å; L665-V682 HydrophobicContact CD1-CG2 3.87Å; L665-V682 HydrophobicContact CD2-CG1 4Å; L665-V682 HydrophobicContact CG-CG1 4.41Å; L665-L686 HydrophobicContact CD2-CB 3.95Å
666S84Confident80.1Confident20 Ų2066.7 Ų66.714%0.1435%0.351CS..Hα-helixtrans-62.3-30.5174.168.40000112.7L662 E663 L668 D669 V672L662-S666 PolarHBondContact O-N 3.2Å; E663-S666 PolarHBondContact O-OG 2.84Å; S666-L668 PolarHBondContact O-N 3.43Å; S666-D669 WeakPolarHBondContact CA-O 3.42Å; S666-V672 WeakPolarHBondContact CA-O 3.4Å; S666-V672 WeakPolarHBondContact CB-O 3.35Å
667R78.5Confident81.5Confident78 Ų7862.8 Ų62.829%0.29433%0.334SS..THydrogen-bonded Turntrans-75.1-3169.8-64.2-175.6-165.1-165.810.4114.2R637 E653 E663 L665R637-R667 VanDerWaalsContact CZ-O 3.26Å; R637-R667 PolarHBondContact NH1-O 2.7Å; R637-R667 PolarHBondContact NH2-O 2.71Å; E653-R667 WeakPolarHBondContact OE2-CD 3.27Å; E653-R667 IonicContact OE2-CZ 3.27Å; E653-R667 IonicContact OE2-NE 2.69Å; E653-R667 IonicContact OE2-NH1 3.58Å; E653-R667 PolarHBondContact OE2-NH1 3.39Å; E663-R667 WeakPolarHBondContact O-CG 3.39Å; E663-R667 PolarHBondContact O-N 3.05Å; E663-R667 IonicContact OE1-CZ 3.31Å; E663-R667 IonicContact OE1-NE 2.72Å; E663-R667 IonicContact OE1-NH2 3.12Å; E663-R667 PolarHBondContact OE1-NH2 3.46Å; L665-R667 PolarHBondContact O-N 3.39Å
668L77.4Confident82.6Confident63 Ų6361.6 Ų61.633%0.3333%0.331SS..THydrogen-bonded Turntrans-109-43.8173.6-69.6173.9000111.9R664 L665 S666 L686R664-L668 WeakPolarHBondContact O-CG 3.46Å; L665-L668 CarbonylContact O-C 3.36Å; L665-L668 WeakPolarHBondContact O-CA 3.38Å; L665-L668 WeakPolarHBondContact O-CB 3.4Å; L665-L668 PolarHBondContact O-N 2.89Å; S666-L668 PolarHBondContact O-N 3.43Å; L668-L686 HydrophobicContact CB-CD2 4.49Å
669D80Confident83.2Confident66 Ų6656.3 Ų56.335%0.35331%0.313SS..  trans-127.7123.8177.2-173.1-6.1000110.5L665 S666 G671 V672 L686L665-D669 PolarHBondContact O-N 2.95Å; S666-D669 WeakPolarHBondContact CA-O 3.42Å; D669-G671 PolarHBondContact O-N 3.1Å; D669-G671 PolarHBondContact OD1-N 2.89Å; D669-V672 HydrophobicContact CB-CG2 4.31Å; D669-V672 PolarHBondContact O-N 3.34Å; D669-L686 HydrophobicContact CB-CD1 3.63Å; D669-L686 HydrophobicContact CB-CD2 4.31Å
670L79.4Confident83.7Confident148 Ų14861.4 Ų61.478%0.77534%0.34SS*.THydrogen-bonded Turntrans-73.8-10.3-179.2-62.1174.6000113.1V672L670-V672 VanDerWaalsContact C-N 3.29Å
671G82.8Confident83.9Confident63 Ų6362 Ų6265%0.64934%0.339SS*.THydrogen-bonded Turntrans-74.1-17.5169.500000113.9D669D669-G671 PolarHBondContact O-N 3.1Å; D669-G671 PolarHBondContact OD1-N 2.89Å
672V87.3Confident84.1Confident7 Ų759.4 Ų59.44%0.04232%0.323CS..  trans-92.9117.8178.7178.80000109.5L662 L665 S666 D669 L670 V682 L686L662-V672 HydrophobicContact CD1-CG1 3.51Å; L662-V672 HydrophobicContact CG-CG1 3.94Å; L665-V672 HydrophobicContact CB-CG1 4.08Å; S666-V672 WeakPolarHBondContact CA-O 3.4Å; S666-V672 WeakPolarHBondContact CB-O 3.35Å; D669-V672 HydrophobicContact CB-CG2 4.31Å; D669-V672 PolarHBondContact O-N 3.34Å; L670-V672 VanDerWaalsContact C-N 3.29Å; V672-V682 HydrophobicContact CG1-CG2 4.22Å; V672-V682 HydrophobicContact CG2-CG2 4.24Å; V672-L686 HydrophobicContact CG2-CD1 4.43Å
673H88.8Confident84.2Confident73 Ų7361 Ų6134%0.33834%0.336SS..  trans-96.4126.4176.2-173.7-94.9000110.8W489 L662 I675 L676 S677W489-H673 AromaticContact CH2-CE1 3.81Å; L662-H673 WeakPolarHBondContact CD2-O 3.37Å; H673-I675 PolarHBondContact ND1-N 2.85Å; H673-I675 PolarHBondContact O-N 3.47Å; H673-L676 HydrophobicContact CB-CB 4.06Å; H673-L676 WeakPolarHBondContact ND1-CB 3.39Å; H673-L676 VanDerWaalsContact ND1-CG 3.3Å; H673-L676 WeakPolarHBondContact ND1-CG 3.36Å; H673-L676 PolarHBondContact ND1-N 3.2Å; H673-L676 PolarHBondContact O-N 3.03Å; H673-S677 PolarHBondContact N-OG 3.14Å; H673-S677 PolarHBondContact O-N 3.04Å; H673-S677 VanDerWaalsContact O-N 3.08Å
674P86.4Confident84Confident49 Ų4964 Ų6432%0.31836%0.359SS..THydrogen-bonded Turntrans-66.8-5.6-16828.2-37000115.8E663E663-P674 HydrophobicContact CB-CB 4.19Å; E663-P674 HydrophobicContact CG-CB 4.19Å
675I87.1Confident84Confident70 Ų7064 Ų6436%0.35937%0.374SS..THydrogen-bonded Turntrans-132.7-6.5-178.5-51.2172.6000112.2H486 W489 H673H486-I675 PolarHBondContact CD2-O 3.26Å; H486-I675 VanDerWaalsContact CD2-O 3.26Å; W489-I675 HydrophobicContact CB-CG2 4.29Å; W489-I675 HydrophobicContact CD2-CG2 3.77Å; W489-I675 HydrophobicContact CE3-CG2 4.44Å; W489-I675 HydrophobicContact CG-CG2 3.67Å; W489-I675 HydrophobicContact CZ2-CD1 4Å; H673-I675 PolarHBondContact ND1-N 2.85Å; H673-I675 PolarHBondContact O-N 3.47Å
676L88.1Confident84Confident55 Ų5564.9 Ų64.929%0.28838%0.379SS..THydrogen-bonded Turntrans-124.7-24.7-174.8-65.4175.2000114.3H486 W489 L490 H673H486-L676 HydrophobicContact CB-CD2 4.37Å; W489-L676 HydrophobicContact CE3-CD2 3.86Å; W489-L676 HydrophobicContact CE3-CG 4.28Å; W489-L676 HydrophobicContact CZ3-CD1 3.93Å; W489-L676 HydrophobicContact CZ3-CD2 4.1Å; W489-L676 HydrophobicContact CZ3-CG 4.07Å; L490-L676 HydrophobicContact CD1-CD2 4Å; L490-L676 HydrophobicContact CD2-CD1 3.99Å; L490-L676 HydrophobicContact CD2-CD2 3.83Å; L490-L676 HydrophobicContact CG-CD2 3.73Å; H673-L676 HydrophobicContact CB-CB 4.06Å; H673-L676 WeakPolarHBondContact ND1-CB 3.39Å; H673-L676 VanDerWaalsContact ND1-CG 3.3Å; H673-L676 WeakPolarHBondContact ND1-CG 3.36Å; H673-L676 PolarHBondContact ND1-N 3.2Å; H673-L676 PolarHBondContact O-N 3.03Å
677S89.3Confident83.8Confident13 Ų1367.5 Ų67.59%0.09139%0.388CS..  trans-75.9138.2173.5-64.50000110.4L662 H673 D681L662-S677 WeakPolarHBondContact CD2-O 3.44Å; H673-S677 PolarHBondContact N-OG 3.14Å; H673-S677 PolarHBondContact O-N 3.04Å; H673-S677 VanDerWaalsContact O-N 3.08Å; S677-D681 VanDerWaalsContact CA-OD2 3.28Å; S677-D681 WeakPolarHBondContact CA-OD2 3.48Å
678F87.4Confident83.8Confident74 Ų7468.5 Ų68.533%0.32540%0.399SS..  trans-79.7161.9168.2-65.4-88.8000110.2I483 H486 D680 D681I483-F678 HydrophobicContact CG1-CE1 3.97Å; I483-F678 HydrophobicContact CG1-CZ 3.84Å; H486-F678 AromaticContact CE1-CD1 3.93Å; H486-F678 AromaticContact CE1-CE1 3.6Å; H486-F678 AromaticContact CE1-CZ 3.84Å; H486-F678 AromaticContact ND1-CE1 3.54Å; H486-F678 AromaticContact ND1-CE2 3.84Å; H486-F678 AromaticContact ND1-CZ 3.31Å; H486-F678 VanDerWaalsContact ND1-CZ 3.31Å; H486-F678 WeakPolarHBondContact ND1-CZ 3.33Å; F678-D680 PolarHBondContact O-N 3.08Å; F678-D680 VanDerWaalsContact O-N 3.12Å; F678-D681 PolarHBondContact N-OD2 2.81Å; F678-D681 PolarHBondContact O-N 3.39Å; F678-D681 VanDerWaalsContact O-N 3.14Å
679P81.6Confident83.8Confident80 Ų8069.4 Ų69.452%0.51940%0.402SS..THydrogen-bonded Turntrans-56.6-26.2176.4-26.136.4000114.1H687P679-H687 PolarHBondContact O-CE1 2.64Å; P679-H687 PolarHBondContact O-NE2 3.22Å
680D82.6Confident83.4Confident145 Ų14568.2 Ų68.278%0.77539%0.394SS*.THydrogen-bonded Turntrans-82.5-20.9-178.8-53.1-74.3000113.7F678 V682F678-D680 PolarHBondContact O-N 3.08Å; F678-D680 VanDerWaalsContact O-N 3.12Å; D680-V682 PolarHBondContact O-N 2.92Å
681D85.4Confident82.9Confident100 Ų10065.3 Ų65.354%0.53538%0.382SS..THydrogen-bonded Turntrans-68.8-18.5172.2-63.9-34.4000112S677 F678 S683S677-D681 VanDerWaalsContact CA-OD2 3.28Å; S677-D681 WeakPolarHBondContact CA-OD2 3.48Å; F678-D681 PolarHBondContact N-OD2 2.81Å; F678-D681 PolarHBondContact O-N 3.39Å; F678-D681 VanDerWaalsContact O-N 3.14Å; D681-S683 PolarHBondContact O-N 2.84Å
682V86.5Confident82.2Confident4 Ų466.9 Ų66.92%0.02437%0.374CS..SBendtrans-79.2114.5-177.8177.40000109.6L662 L665 V672 D680 V684 L686 H687L662-V682 HydrophobicContact CD1-CG2 3.8Å; L665-V682 HydrophobicContact CD1-CB 4.39Å; L665-V682 HydrophobicContact CD1-CG1 3.69Å; L665-V682 HydrophobicContact CD1-CG2 3.87Å; L665-V682 HydrophobicContact CD2-CG1 4Å; L665-V682 HydrophobicContact CG-CG1 4.41Å; V672-V682 HydrophobicContact CG1-CG2 4.22Å; V672-V682 HydrophobicContact CG2-CG2 4.24Å; D680-V682 PolarHBondContact O-N 2.92Å; V682-V684 PolarHBondContact O-N 3.48Å; V682-L686 HydrophobicContact CG1-CB 4.01Å; V682-L686 HydrophobicContact CG1-CD1 4.35Å; V682-H687 WeakPolarHBondContact CB-NE2 3.48Å; V682-H687 PolarHBondContact O-CD2 2.71Å; V682-H687 PolarHBondContact O-NE2 3.37Å
683S83.9Confident81Confident65 Ų6570.5 Ų70.546%0.45539%0.389SS..  trans-56.4140.7-179.173.40000113.1D681 G685 L686 H687D681-S683 PolarHBondContact O-N 2.84Å; S683-G685 PolarHBondContact O-N 2.86Å; S683-L686 WeakPolarHBondContact O-CB 3.37Å; S683-L686 PolarHBondContact O-N 3.46Å; S683-L686 WeakPolarHBondContact OG-CG 3.34Å; S683-H687 PolarHBondContact O-N 2.92Å
684V81.4Confident79.5Confident121 Ų12169.4 Ų69.473%0.73339%0.39SS*.Hα-helixtrans-54.3-29.8-179.1-178.40000112.5V682 H687 L688V682-V684 PolarHBondContact O-N 3.48Å; V684-H687 PolarHBondContact O-N 3.09Å; V684-L688 WeakPolarHBondContact O-CB 3.45Å; V684-L688 PolarHBondContact O-N 3.29Å
685G84.1Confident77.7Confident49 Ų4973.2 Ų73.251%0.50540%0.403SS..Hα-helixtrans-64.4-35.3174.600000113.9S683 Q689S683-G685 PolarHBondContact O-N 2.86Å; G685-Q689 VanDerWaalsContact O-CB 3.28Å; G685-Q689 WeakPolarHBondContact O-CB 3.08Å; G685-Q689 PolarHBondContact O-N 2.74Å
686L81.8Confident75.6Confident19 Ų1979.3 Ų79.310%0.09942%0.422CS..Hα-helixtrans-74.6-43.6175.5-65.9169.7000111.4L665 L668 D669 V672 V682 S683 L688 Q689 Q690L665-L686 HydrophobicContact CD2-CB 3.95Å; L668-L686 HydrophobicContact CB-CD2 4.49Å; D669-L686 HydrophobicContact CB-CD1 3.63Å; D669-L686 HydrophobicContact CB-CD2 4.31Å; V672-L686 HydrophobicContact CG2-CD1 4.43Å; V682-L686 HydrophobicContact CG1-CB 4.01Å; V682-L686 HydrophobicContact CG1-CD1 4.35Å; S683-L686 WeakPolarHBondContact O-CB 3.37Å; S683-L686 PolarHBondContact O-N 3.46Å; S683-L686 WeakPolarHBondContact OG-CG 3.34Å; L686-L688 PolarHBondContact O-N 3.09Å; L686-Q689 PolarHBondContact O-N 2.77Å; L686-Q690 PolarHBondContact O-N 3.33Å
687H78.9Confident73.9Confident75 Ų7581.5 Ų81.535%0.34743%0.431SS..Hα-helixtrans-54.9-49.7172.6-77.7-59.4000111.4P679 V682 S683 V684 Q689 Q690 V691P679-H687 PolarHBondContact O-CE1 2.64Å; P679-H687 PolarHBondContact O-NE2 3.22Å; V682-H687 WeakPolarHBondContact CB-NE2 3.48Å; V682-H687 PolarHBondContact O-CD2 2.71Å; V682-H687 PolarHBondContact O-NE2 3.37Å; S683-H687 PolarHBondContact O-N 2.92Å; V684-H687 PolarHBondContact O-N 3.09Å; H687-Q689 PolarHBondContact O-N 2.91Å; H687-Q690 WeakPolarHBondContact O-CB 3.25Å; H687-Q690 PolarHBondContact O-N 3.43Å; H687-V691 WeakPolarHBondContact O-CG2 3.39Å; H687-V691 PolarHBondContact O-N 3.13Å
688L80Confident71.7Confident100 Ų10085.3 Ų85.352%0.52446%0.458SS..Hα-helixtrans-63-41.2176.3-178.759.8000111.9V684 L686 Q690 V691 M692V684-L688 WeakPolarHBondContact O-CB 3.45Å; V684-L688 PolarHBondContact O-N 3.29Å; L686-L688 PolarHBondContact O-N 3.09Å; L688-Q690 VanDerWaalsContact C-N 3.3Å; L688-Q690 PolarHBondContact O-N 2.86Å; L688-V691 PolarHBondContact O-N 2.97Å; L688-M692 HydrophobicContact CD1-CG 4.16Å; L688-M692 HydrophobicContact CD1-SD 4.27Å; L688-M692 HydrophobicContact CG-CG 4.41Å; L688-M692 HydrophobicContact CG-SD 4.05Å; L688-M692 WeakPolarHBondContact O-CB 3.37Å; L688-M692 VanDerWaalsContact O-CG 3.29Å; L688-M692 WeakPolarHBondContact O-CG 3.23Å; L688-M692 PolarHBondContact O-N 3.12Å
689Q77.3Confident69.5Low81 Ų8189.9 Ų89.938%0.37948%0.477SS..Hα-helixtrans-62-37.1176.4-167.4-171.4103.200112.1G685 L686 H687 K693G685-Q689 VanDerWaalsContact O-CB 3.28Å; G685-Q689 WeakPolarHBondContact O-CB 3.08Å; G685-Q689 PolarHBondContact O-N 2.74Å; L686-Q689 PolarHBondContact O-N 2.77Å; H687-Q689 PolarHBondContact O-N 2.91Å; Q689-K693 HydrophobicContact CG-CD 4.16Å; Q689-K693 WeakPolarHBondContact O-CB 3.39Å; Q689-K693 VanDerWaalsContact O-CG 3.24Å; Q689-K693 WeakPolarHBondContact O-CG 3.24Å; Q689-K693 PolarHBondContact O-N 2.94Å
690Q71Confident67.2Low41 Ų4191.5 Ų91.519%0.19249%0.491CS..Hα-helixtrans-65.1-49.4174.2175.7169.6-62.200111.6L686 H687 L688 M692 K693 S694L686-Q690 PolarHBondContact O-N 3.33Å; H687-Q690 WeakPolarHBondContact O-CB 3.25Å; H687-Q690 PolarHBondContact O-N 3.43Å; L688-Q690 VanDerWaalsContact C-N 3.3Å; L688-Q690 PolarHBondContact O-N 2.86Å; Q690-M692 VanDerWaalsContact C-N 3.34Å; Q690-M692 PolarHBondContact O-N 3.19Å; Q690-K693 PolarHBondContact O-N 3.47Å; Q690-S694 PolarHBondContact O-N 2.79Å; Q690-S694 PolarHBondContact O-OG 2.86Å
691V69.8Low65Low88 Ų8892.1 Ų92.153%0.53349%0.493SS..Hα-helixtrans-59.9-42.8178.8171.70000111.5H687 L688 S694 Q695H687-V691 WeakPolarHBondContact O-CG2 3.39Å; H687-V691 PolarHBondContact O-N 3.13Å; L688-V691 PolarHBondContact O-N 2.97Å; V691-S694 PolarHBondContact O-OG 2.76Å; V691-Q695 WeakPolarHBondContact O-CB 3.42Å; V691-Q695 PolarHBondContact O-N 3.38Å
692M66.6Low62.6Low95 Ų9595.7 Ų95.747%0.46851%0.507SS..Hα-helixtrans-63.6-48.5174.9-68.7177.978.900111.1L688 Q690 S694 Q695 W696L688-M692 HydrophobicContact CD1-CG 4.16Å; L688-M692 HydrophobicContact CD1-SD 4.27Å; L688-M692 HydrophobicContact CG-CG 4.41Å; L688-M692 HydrophobicContact CG-SD 4.05Å; L688-M692 WeakPolarHBondContact O-CB 3.37Å; L688-M692 VanDerWaalsContact O-CG 3.29Å; L688-M692 WeakPolarHBondContact O-CG 3.23Å; L688-M692 PolarHBondContact O-N 3.12Å; Q690-M692 VanDerWaalsContact C-N 3.34Å; Q690-M692 PolarHBondContact O-N 3.19Å; M692-S694 PolarHBondContact O-N 3.28Å; M692-Q695 PolarHBondContact O-N 3.35Å; M692-W696 PolarHBondContact O-N 3.4Å
693K63.4Low60.5Low83 Ų83106.9 Ų106.936%0.36155%0.548SS..Hα-helixtrans-60.1-43.5-177.6-80.1170.5172.5174.20113.2Q689 Q690 W696 Q697Q689-K693 HydrophobicContact CG-CD 4.16Å; Q689-K693 WeakPolarHBondContact O-CB 3.39Å; Q689-K693 VanDerWaalsContact O-CG 3.24Å; Q689-K693 WeakPolarHBondContact O-CG 3.24Å; Q689-K693 PolarHBondContact O-N 2.94Å; Q690-K693 PolarHBondContact O-N 3.47Å; K693-W696 PolarHBondContact O-N 3.38Å; K693-Q697 PolarHBondContact O-N 3.42Å
694S57.4Low58.4Low51 Ų51108.6 Ų108.636%0.35756%0.56SS.*Hα-helixtrans-67.2-35.2178.658.50000112.8Q690 V691 M692 W696 S698Q690-S694 PolarHBondContact O-N 2.79Å; Q690-S694 PolarHBondContact O-OG 2.86Å; V691-S694 PolarHBondContact O-OG 2.76Å; M692-S694 PolarHBondContact O-N 3.28Å; S694-W696 PolarHBondContact O-N 3.17Å; S694-S698 WeakPolarHBondContact O-CB 3.43Å; S694-S698 PolarHBondContact O-N 3.45Å; S694-S698 PolarHBondContact O-OG 2.73Å
695Q47.3Very low56.2Low128 Ų128111.8 Ų111.860%0.59856%0.564SS**Hα-helixtrans-69.5-30.5178.6-163.9179.826.300113.3V691 M692 S698V691-Q695 WeakPolarHBondContact O-CB 3.42Å; V691-Q695 PolarHBondContact O-N 3.38Å; M692-Q695 PolarHBondContact O-N 3.35Å; Q695-S698 PolarHBondContact O-OG 3.08Å
696W44.3Very low53.8Low198 Ų198115.5 Ų115.575%0.7558%0.58SS**Hα-helixtrans-82.6-24.8177.7-70.9110.8000114.1M692 K693 S694M692-W696 PolarHBondContact O-N 3.4Å; K693-W696 PolarHBondContact O-N 3.38Å; S694-W696 PolarHBondContact O-N 3.17Å
697Q51.5Low51.6Low101 Ų101122.8 Ų122.847%0.47262%0.618SS.*Hα-helixtrans-93.2-24.2180-69.9-165.5-1900114.6Y657 K693 K699Y657-Q697 PolarHBondContact OH-OE1 2.89Å; K693-Q697 PolarHBondContact O-N 3.42Å; Q697-K699 PolarHBondContact O-N 3.46Å
698S43Very low49.8Very low94 Ų94128.6 Ų128.666%0.65764%0.642SS**SBendtrans-66.82.4175.746.20000114.8S694 Q695S694-S698 WeakPolarHBondContact O-CB 3.43Å; S694-S698 PolarHBondContact O-N 3.45Å; S694-S698 PolarHBondContact O-OG 2.73Å; Q695-S698 PolarHBondContact O-OG 3.08Å
699K40.5Very low48.1Very low169 Ų169133.8 Ų133.874%0.73566%0.66SS**  trans-117.484.7168-67.2176.4-177.1173.60109.1Q697 L701Q697-K699 PolarHBondContact O-N 3.46Å; K699-L701 VanDerWaalsContact C-N 3.31Å; K699-L701 PolarHBondContact O-N 3.06Å
700S33.9Very low46.1Very low115 Ų115138.1 Ų138.180%0.80469%0.685SS**  trans-63.693.8165.642.90000109E702S700-E702 PolarHBondContact O-N 3.41Å; S700-E702 VanDerWaalsContact O-N 3.09Å
701L37.6Very low44.4Very low158 Ų158141.2 Ų141.283%0.82771%0.712SS**  trans-59.2118.2174.6-179.965.1000108.5K699 R703K699-L701 VanDerWaalsContact C-N 3.31Å; K699-L701 PolarHBondContact O-N 3.06Å; L701-R703 PolarHBondContact O-N 2.91Å
702E34.6Very low42.5Very low175 Ų175145.1 Ų145.182%0.81873%0.728SS**  trans-51134.9-179-168.4-177.2-177.900110.6S700 S704S700-E702 PolarHBondContact O-N 3.41Å; S700-E702 VanDerWaalsContact O-N 3.09Å; E702-S704 PolarHBondContact O-N 3.47Å
703R41.3Very low41Very low238 Ų238149.4 Ų149.490%0.89875%0.745SS**  trans-72.867.9-164.3-169.3179.1172119.7-8.3112.5L701 K705L701-R703 PolarHBondContact O-N 2.91Å; R703-K705 PolarHBondContact O-N 2.98Å
704S39.6Very low39.9Very low101 Ų101154.1 Ų154.171%0.70677%0.767SS**PPolyproline II helixtrans-60.6124.2175.845.20000110.6E702E702-S704 PolarHBondContact O-N 3.47Å
705K36.1Very low38.7Very low188 Ų188160.6 Ų160.682%0.81779%0.789SS**PPolyproline II helixtrans-74.7137.9-171.4-62.5168-175170.20109.7R703 L707R703-K705 PolarHBondContact O-N 2.98Å; K705-L707 PolarHBondContact O-N 3.32Å; K705-L707 VanDerWaalsContact O-N 3.15Å
706P33.3Very low37.9Very low128 Ų128162.1 Ų162.183%0.83180%0.801SS**PPolyproline II helixtrans-66.4116.1-176.225.9-34.1000111.6
707L37Very low37Very low172 Ų172158.2 Ų158.290%0.90180%0.803SS**PPolyproline II helixtrans-68.1143.1175-82.1163.2000111.4K705K705-L707 PolarHBondContact O-N 3.32Å; K705-L707 VanDerWaalsContact O-N 3.15Å
708K39.8Very low35.7Very low197 Ų197158.8 Ų158.886%0.85782%0.819SS**PPolyproline II helixtrans-72.5139.7-172.9-65.6178.5-179.2176.70111.3L710K708-L710 PolarHBondContact O-N 3.14Å
709K44.8Very low35.1Very low208 Ų208158.8 Ų158.890%0.90482%0.818SS**PPolyproline II helixtrans-60.8125.5179.7-60.5173.2-177.81750111
710L35Very low34.6Very low173 Ų173159 Ų15991%0.90682%0.82SS**  trans-105.1119.2159.4-63.8-178.2000108.4K708K708-L710 PolarHBondContact O-N 3.14Å
711S34.8Very low34.4Very low106 Ų106159.2 Ų159.274%0.74181%0.808SS**  trans-101.8107.8179.4-174.30000109.7
712L31Very low34.1Very low170 Ų170159.2 Ų159.289%0.8980%0.801SS**  trans-94.9111.5174.5-168.669.1000109.8
713K34Very low34.2Very low185 Ų185158.5 Ų158.580%0.80480%0.797SS**  trans-96141.6170.4-69.2-178.3178.3178.30109.8
714H41.6Very low33.8Very low181 Ų181155.3 Ų155.384%0.83879%0.79SS**  trans-68.1147172.2-74.7-144000111.7
715K31.1Very low33.2Very low188 Ų188159.3 Ų159.382%0.81780%0.795SS**  -177.1125.2124.6-84.9-115.4-178.5177.90113.5
716L30.1Very low32.9Very low160 Ų160156.5 Ų156.584%0.83879%0.794SS**  trans33.5118.3141.8-57.3171.7000122.5
717S26.1Very low32.7Very low116 Ų116155.7 Ų155.781%0.81179%0.791SS**  -172.8126.2123.1-142.50000110.1
718S25.3Very low32.6Very low113 Ų113152.1 Ų152.179%0.7978%0.781SS**  61.6130.798.1-148.40000114.9
719S29.9Very low32.3Very low93 Ų93149.8 Ų149.865%0.6578%0.777SS**  cis-165.7169.629.170.20000113.9
720K29.7Very low31.8Very low175 Ų175148.3 Ų148.376%0.76178%0.775SS**  trans53.6157.9152.4-81173.8162.2-116.30120.4
721E28.9Very low31.6Very low119 Ų119144.9 Ų144.956%0.55677%0.771SS**  cis-132.2-143.3-4.3-16573.9-121.700109.6
722K33Very low31.3Very low157 Ų157146 Ų14668%0.68377%0.773SS**  trans-124.4-173.5-157.8-54.8-179-173.186.90114.6
723H35.8Very low31.2Very low161 Ų161148.8 Ų148.875%0.74577%0.772SS**  trans94.6145.5163.6-61.1-103.8000117.7
724K31.9Very low31.1Very low171 Ų171146.9 Ų146.974%0.74377%0.77SS**  cis-173.6119.9-41.3-118.7-173.1179.9-175.90108.8
725F27.9Very low30.4Very low185 Ų185144.1 Ų144.181%0.81177%0.771SS**  trans60.7150.7152.6-84.7-73000124.6
726T29Very low30.4Very low129 Ų129143 Ų14379%0.79177%0.768SS**  trans68.1123.614942.70000122.4
727S29.6Very low30.2Very low111 Ų111141.1 Ų141.178%0.77677%0.767SS**  trans-80.7148.6154.5172.70000110.6
728S35.4Very low30.1Very low97 Ų97145.2 Ų145.268%0.67877%0.771SS**  164.5160.6104.6-154.10000115.6
729L32.9Very low30.2Very low148 Ų148147 Ų14778%0.77577%0.772SS**  trans74.3105.1158-55.6-168.8000123.9
730M35.5Very low30.1Very low177 Ų177153.7 Ų153.787%0.87278%0.782SS**  57.6117.2112.8-59.9-69.8-93.700123.1
731A29.6Very low30.1Very low100 Ų100152.1 Ų152.183%0.82678%0.781SS**  trans-161.4156146.200000110.1
732V28.6Very low29.9Very low129 Ų129153.5 Ų153.578%0.78279%0.792SS**  cis-159.8138.1-42.81170000109.3
733R28.5Very low29.8Very low230 Ų230153.8 Ų153.887%0.86879%0.793SS**  trans47.4120.7159.5-65.4180177.1-101.7-2123.8
734L32.8Very low29.3Very low144 Ų144154.8 Ų154.875%0.75480%0.798SS**  trans5.7142.5132.4-83.565.9000121.5
735S26.6Very low29.1Very low124 Ų124157.1 Ų157.187%0.86780%0.802SS**  trans-137.6159.6131.363.40000110.3
736H31.7Very low29Very low163 Ų163153.2 Ų153.276%0.75579%0.794SS**  trans-133.3-178.2-160.9-110.7-39000113.8
737C25.4Very low29Very low121 Ų121151.7 Ų151.782%0.81878%0.784SS**  trans85.1152.6170.6-54.80000116.4
738K24.6Very low29Very low203 Ų203150 Ų15088%0.88377%0.766SS**  cis-147.1158.612-155.2168-179.8175.70112.9
739N26.1Very low28.8Very low151 Ų151149 Ų14981%0.80777%0.771SS**  trans-92.3147174.3-69.1-62.9000112.8
740R28Very low28.7Very low233 Ų233146.7 Ų146.788%0.87977%0.768SS**  176.8122.4116.4-99.9-178.2178.7-125.12.7115.6
741I29.5Very low28.6Very low141 Ų141147 Ų14772%0.72377%0.769SS**  trans11.1129.9130.1-61.5152.8000118.8
742D25.7Very low28.5Very low149 Ų149145.2 Ų145.280%0.79776%0.76SS**  -154.1-173119-121.7-54.8000113.1
743K30.2Very low28.7Very low163 Ų163145 Ų14571%0.70977%0.765SS**  -156.9117-122.7174.9-167.3175.3-171.10118.8
744Q26.6Very low28.7Very low181 Ų181141.3 Ų141.385%0.84676%0.762SS**  trans-159.1130.8158.6-128.379.640.500107.1
745R27.6Very low28.6Very low220 Ų220139.3 Ų139.383%0.8376%0.76SS**  61.4128.658.8-74.5-168.7179-164.71112.7
746T26.2Very low28.9Very low104 Ų104138.9 Ų138.964%0.63876%0.757SS**  cis-160.817415.7-23.30000113.7
747V27.9Very low29Very low96 Ų96136.4 Ų136.458%0.58276%0.758SS**  trans68.8160160.7178.10000119.6
748D29.3Very low29.3Very low76 Ų76135.9 Ų135.941%0.40676%0.756SS.*  -165.1175.3-69.3-84.8-48.6000110.8C772 K773D748-C772 HydrophobicContact CB-CB 4Å; D748-C772 WeakPolarHBondContact OD2-CB 3.38Å; D748-K773 WeakPolarHBondContact OD1-CE 3.16Å; D748-K773 IonicContact OD1-NZ 3.56Å; D748-K773 WeakPolarHBondContact OD2-CE 3.44Å; D748-K773 VanDerWaalsContact OD2-CG 3.23Å; D748-K773 WeakPolarHBondContact OD2-CG 3.26Å
749G32.1Very low29.6Very low75 Ų75130.6 Ų130.677%0.77375%0.75SS**  trans138.5147.616100000117.7
750S29.8Very low29.9Very low101 Ų101130.8 Ų130.871%0.70675%0.749SS**  trans-163.1154.9179.6-168.20000113.7
751M32.9Very low30Very low183 Ų183127 Ų12790%0.90175%0.746SS**  trans57.8169179.5-89.778.981.700115.6
752G29.1Very low29.9Very low62 Ų62126.1 Ų126.164%0.63975%0.747SS**  cis159.9146.8-1100000112.8
753S31.6Very low29.9Very low125 Ų125127 Ų12787%0.87475%0.748SS**  trans83.1148.6172.3-59.20000120.7
754N28.2Very low30.2Very low152 Ų152123.9 Ų123.981%0.81375%0.745SS**  trans-50.2168.3-179.1-42.6-17.4000115.4
755S31.6Very low30.2Very low102 Ų102126.6 Ų126.671%0.71375%0.748SS**  cis-154.8166.128.9-62.50000114.6
756S33Very low30.2Very low116 Ų116123.2 Ų123.281%0.81175%0.745SS**  trans52.512315051.80000121.8
757S32.9Very low30.2Very low110 Ų110124.9 Ų124.977%0.76975%0.75SS**  trans-76.1164.115757.40000110.9
758S33Very low30.2Very low111 Ų111124.4 Ų124.478%0.77675%0.751SS**  cis-161165.532-470000110
759A30.9Very low30.2Very low92 Ų92129.9 Ų129.976%0.7677%0.774SS**  cis-171.9-139.2-21.700000108.4
760I31Very low30Very low154 Ų154130 Ų13079%0.7978%0.776SS**  trans70.1102.6171.2-58.3-174.7000118.2
761L30.6Very low29.9Very low154 Ų154128 Ų12881%0.80677%0.771SS**  trans57110138.9-59.4-179.8000124.5
762T28.4Very low29.6Very low123 Ų123123.6 Ų123.676%0.75576%0.757SS**  trans89.8107.1130.2-46.40000122.5
763M24.8Very low29.6Very low166 Ų166126.4 Ų126.482%0.81875%0.752SS**  trans20.8156.7135.4-77.7-66.1113.600123.4
764P36.7Very low29.5Very low99 Ų99126.4 Ų126.464%0.64375%0.747SS**  cis-143.6169.23.241.8-22.7000119.5
765R26.6Very low29.4Very low237 Ų237125.1 Ų125.189%0.89474%0.736SS**  trans66.8160167.1-42.9-159.4-176.7-154.20.2115.4
766L28.3Very low29.3Very low149 Ų149129 Ų12978%0.7874%0.735SS**  cis-147.7177.318.4-168.663.7000111.6
767D25.3Very low29.1Very low139 Ų139130.2 Ų130.274%0.74373%0.732SS**  trans-29.7164.1171.5-71.1-85.1000121.2
768S27.7Very low29Very low86 Ų86132.1 Ų132.160%0.60173%0.728SS**  cis-175.6154.5-10.3174.40000113.1
769Q29.7Very low28.8Very low191 Ų191132.1 Ų132.189%0.89372%0.724SS**  trans48.4145.3145.9-170.9170.3-3.600122.7
770G28.9Very low28.9Very low79 Ų79134.8 Ų134.881%0.81472%0.724SS**  cis152154.9-8.500000114.2
771G27.3Very low28.8Very low58 Ų58132.6 Ų132.660%0.59872%0.723SS**  trans138.3147.3163.400000119.8
772C25.2Very low28.8Very low90 Ų90130.6 Ų130.661%0.60872%0.717SS**  trans-154.8-162.1177.9-39.90000114.3D748D748-C772 HydrophobicContact CB-CB 4Å; D748-C772 WeakPolarHBondContact OD2-CB 3.38Å
773K28.8Very low30Very low121 Ų121130.1 Ų130.153%0.52672%0.716SS.*  trans94.2159.4167.1-55.7-164.3-177.9-151.50118.4D748D748-K773 WeakPolarHBondContact OD1-CE 3.16Å; D748-K773 IonicContact OD1-NZ 3.56Å; D748-K773 WeakPolarHBondContact OD2-CE 3.44Å; D748-K773 VanDerWaalsContact OD2-CG 3.23Å; D748-K773 WeakPolarHBondContact OD2-CG 3.26Å
774T29.8Very low30.5Very low126 Ų126130.2 Ų130.277%0.77372%0.719SS**  cis-166.2-173.5-18.332.20000107.9
775E26.7Very low30.1Very low124 Ų124128.8 Ų128.858%0.57972%0.722SS**  cis-163.4169.411.3-147.5-154.5-45.500111.8
776R30Very low31.5Very low183 Ų183123.1 Ų123.169%0.69172%0.716SS**  trans68.9156.9163.2-63.7-168.1178.172.523.2120.2
777L28.5Very low31.5Very low143 Ų143125.8 Ų125.875%0.74972%0.717SS**  cis90150.34.5-48.7176.9000117.1
778H31.3Very low31.7Very low150 Ų150123.9 Ų123.969%0.69471%0.707SS**  cis-169.6165.61.8-131.5-174000114.1
779T27.5Very low31.9Very low111 Ų111126.4 Ų126.468%0.68171%0.707SS**  trans65.9162.1148.656.40000121.5
780L32.8Very low31.8Very low148 Ų148123.7 Ų123.778%0.77570%0.698SS**  cis-171.3173.8-17.7-107.5169.5000113.4
781S29.9Very low31.7Very low108 Ų108130.1 Ų130.176%0.75570%0.7SS**  trans107.5164.1146.8-45.40000120.2
782T29.6Very low31.9Very low111 Ų111131.9 Ų131.968%0.68170%0.703SS**  173.2145.2-58.5-81.40000113.2
783P53.9Low32.1Very low113 Ų113139.3 Ų139.373%0.73472%0.718SS**  trans-124.9164.3134.12.520.7000112.3
784L35Very low32.2Very low169 Ų169142.5 Ų142.589%0.88573%0.732SS**  cis82.6142.924.1-56.5177.6000115.4
785G29.8Very low32.2Very low68 Ų68147.6 Ų147.670%0.70174%0.737SS**  cis-149.1-135.113.700000117
786P54.7Low32.1Very low118 Ų118148.6 Ų148.677%0.76675%0.746SS**  trans-135.4-178.4-145.743.8-26.4000120.2
787Y28.3Very low32Very low205 Ų205150.4 Ų150.480%0.80475%0.752SS**  trans78.1155.2154.7-95.9-141.8000120
788D30.4Very low31.9Very low99 Ų99151.6 Ų151.653%0.52975%0.754SS.*  cis-144.3-118-8-158.347.8000116.5
789K32.3Very low31.6Very low140 Ų140153.5 Ų153.561%0.60976%0.763SS**  trans-140.9153-161.7-52.8166.6-158.771.20116.4
790N26.5Very low31.6Very low133 Ų133152.9 Ų152.971%0.71176%0.763SS**  154141.2107.9-98.5-22.9000119.5
791Y28.1Very low31.4Very low215 Ų215153.2 Ų153.284%0.84377%0.765SS**  trans64.5172.7148.3-88.7-82.2000124.6
792S29.7Very low31.4Very low95 Ų95154.8 Ų154.866%0.66477%0.765SS**  trans-149.4152.6-164.464.20000113.5
793R29.4Very low31.3Very low245 Ų245161.3 Ų161.393%0.92578%0.777SS**  trans-177.4-173.5138.5-150.5155.5-76.1-141.71.5111.1
794K32.1Very low30.2Very low189 Ų189160.1 Ų160.182%0.82278%0.777SS**  trans-117.8150.6-169.6-60.7178.9177.7179.10114.3
795R29.7Very low29.7Very low232 Ų232159.3 Ų159.388%0.87577%0.773SS**  trans79.7142.9147.8-82.1-161.9-66-166.7-0.4122.3
796L23.5Very low29.7Very low146 Ų146162.4 Ų162.476%0.76478%0.779SS**  trans75.4122.3148-161.570000116.6
797R28.4Very low28.5Very low221 Ų221161.9 Ų161.983%0.83478%0.778SS**  -162.2179.163.4-154.1168.2-169123.51.6112.9
798E27.9Very low29.3Very low168 Ų168157.8 Ų157.879%0.78578%0.776SS**  trans-92.2160.5179.8-54.9159.5113.200113.6
799H24.5Very low29.3Very low190 Ų190162.1 Ų162.188%0.8879%0.791SS**  -157.8171.2128.7-131.2-97000112.8
800S26.3Very low29.2Very low98 Ų98161.4 Ų161.469%0.68579%0.793SS**  trans-128.9-177-169.4-168.20000113.1
801L30.4Very low29Very low154 Ų154163.4 Ų163.481%0.80680%0.795SS**  trans87.3128.8177.3-51.1174000115.1
802D28.1Very low29.2Very low142 Ų142159.4 Ų159.476%0.75979%0.788SS**  cis105.1111.219.3-168.3-34.2000113.5
803R28.4Very low29Very low247 Ų247161.4 Ų161.493%0.93279%0.791SS**  trans-159.4154.3136-121.4178.9175.9128.52.1112.5
804A31.5Very low29Very low88 Ų88155.2 Ų155.273%0.72778%0.781SS**  trans-126.3173.9-178.300000111.4
805D24.7Very low28.6Very low152 Ų152151.9 Ų151.981%0.81378%0.781SS**  trans-138173.3165.6-137.1-38000112.7
806T29.7Very low28.4Very low133 Ų133146.2 Ų146.282%0.81678%0.777SS**  -123.4177.8-126.449.80000117.9
807S29.9Very low29.1Very low108 Ų108144.2 Ų144.276%0.75577%0.773SS**  trans-130.4158.2-175.3640000113.5
808P45Very low28.9Very low118 Ų118139 Ų13977%0.76677%0.769SS**  trans-138.1153.8130.426.4-7.5000113.9
809K29.1Very low29Very low191 Ų191137 Ų13783%0.8377%0.768SS**  cis80.4132.445.6-121.4-176.4-179.6179.90111.8
810L29.6Very low29.3Very low124 Ų124134 Ų13465%0.64976%0.764SS**  cis-161.8160.135.7-74.6153.2000114.4
811F22.9Very low29.4Very low176 Ų176137.8 Ų137.877%0.77278%0.775SS**  trans67.2155.6135.2-82.2-139.9000122.2
812L32.7Very low29.4Very low130 Ų130134.4 Ų134.468%0.68177%0.77SS**  cis-169.6138.5-17-177.282.2000111.7
813D25.1Very low29.4Very low137 Ų137134.4 Ų134.473%0.73377%0.77SS**  trans178.3129.8137.6-106.8-27.7000110.4
814T28.8Very low29.6Very low115 Ų115129.6 Ų129.671%0.70676%0.759SS**  6799.682.9-51.30000112.7
815S24.5Very low30.1Very low120 Ų120133.7 Ų133.784%0.83976%0.763SS**  -169.4177.953.449.90000112.9
816S26.3Very low30.3Very low112 Ų112131.8 Ų131.878%0.78376%0.759SS**  trans-154.1165.317583.60000110.3
817P37.4Very low30.5Very low104 Ų104130.4 Ų130.468%0.67576%0.755SS**  -153.2-176.461.244-24000117.7
818C24.6Very low30.5Very low113 Ų113132.8 Ų132.876%0.76476%0.759SS**  trans67.8158159-63.90000118.1
819T28.8Very low29.7Very low124 Ų124136 Ų13676%0.76176%0.763SS**  cis-165.5174.4-20.425.50000108.1
820T31.3Very low30.3Very low128 Ų128131.8 Ų131.879%0.78576%0.757SS**  cis177.9114.9-49.1-77.60000107.4
821L28.5Very low31.9Very low177 Ų177131.2 Ų131.293%0.92776%0.761SS**  trans-160.5163.4169.6-121.8171.6000112.8
822A30.2Very low32.1Very low84 Ų84130.7 Ų130.769%0.69477%0.765SS**  trans-155.8156.9-17500000114.2
823N27.8Very low32.4Very low141 Ų141130.2 Ų130.275%0.75477%0.768SS**  trans70.6127.4148-12718.1000122.7
824M32.8Very low33Very low146 Ų146134 Ų13472%0.71977%0.772SS**  trans62.9110.1151.8-62.6-58.1108.800123
825H42.5Very low33.3Very low175 Ų175135 Ų13581%0.8177%0.769SS**  47124120.8-131-52.7000121.6
826P28.2Very low33.6Very low112 Ų112136.5 Ų136.573%0.72777%0.767SS**  trans-104.9173.4158.638.4-31.8000113.3
827S35Very low33.8Very low104 Ų104136.7 Ų136.773%0.72777%0.768SS**  trans-129.1-163.716465.90000109.2
828L29Very low33.3Very low158 Ų158137.7 Ų137.783%0.82777%0.772SS**  trans96.8153.8-176.3-58.7166.9000113.9
829H28.5Very low33.4Very low184 Ų184137 Ų13785%0.85277%0.769SS**  cis174.1170-34.5-121.6-105.2000104.8
830S42Very low33.8Very low103 Ų103136.2 Ų136.272%0.7277%0.768SS**  trans-119.2171.3-175.6-178.20000110.5
831P62.3Low33.7Very low112 Ų112136.8 Ų136.873%0.72777%0.767SS**  cis-127.2-171.5-19.327.9-5.7000113.3
832L28.3Very low33.8Very low165 Ų165132.2 Ų132.286%0.86475%0.746SS**  trans-167.1-175.5147.7-113.3169.9000115.2
833T38.4Very low34Very low121 Ų121131.5 Ų131.574%0.74274%0.736SS**  trans-137.5150.1-158.254.60000117.8
834R37.1Very low34.2Very low215 Ų215129.7 Ų129.781%0.81173%0.73SS**  trans72.4109.5151.8-157.8177.6-162.6-94.81.5121.2
835Q34.9Very low34.1Very low136 Ų136129.1 Ų129.164%0.63673%0.726SS**  trans44.7116.3144.9-59.3-176.1-96.900122.5
836L32.6Very low33.5Very low153 Ų153127 Ų12780%0.80172%0.72SS**  trans40.2111.8131.5-59.8174.8000120.3
837S30.1Very low33.4Very low115 Ų115124.2 Ų124.280%0.80471%0.712SS**  trans55.6130.1145.6-54.90000119
838T26.6Very low33.3Very low125 Ų125122.9 Ų122.977%0.76771%0.707SS**  cis-140.8163.525.7530000113.8
839S27.2Very low33.4Very low98 Ų98118.7 Ų118.769%0.68570%0.702SS**  trans50.8108.2149.559.80000121.2
840S36.4Very low33.5Very low108 Ų108115.3 Ų115.376%0.75570%0.699SS**  trans70.6143.5136.7-50.60000123
841D28.5Very low32.9Very low140 Ų140119.1 Ų119.175%0.74971%0.706SS**  trans68.2109.1150.1-56.7-34.5000124
842T32.3Very low31.2Very low81 Ų81118.9 Ų118.950%0.49771%0.707SS.*  trans66.510813258.20000124.4S184 G185S184-T842 VanDerWaalsContact O-CB 3.26Å; S184-T842 WeakPolarHBondContact O-CB 3.43Å; S184-T842 PolarHBondContact O-OG1 2.91Å; G185-T842 CarbonylContact O-C 3.37Å
843S34.1Very low31.2Very low69 Ų69117.5 Ų117.548%0.48371%0.705SS.*  58.7152.8124.256.90000128.2S184 G185 S186S184-S843 PolarHBondContact N-OG 3.17Å; G185-S843 CarbonylContact C-O 3.48Å; G185-S843 PolarHBondContact N-OG 2.8Å; G185-S843 CarbonylContact O-C 3.59Å; G185-S843 WeakPolarHBondContact O-CB 3.38Å; G185-S843 PolarHBondContact O-OG 3.31Å; S186-S843 PolarHBondContact N-O 2.68Å
844T32.2Very low31.7Very low103 Ų103117 Ų11763%0.63270%0.704SS**  trans101.1-172.4153.5-14.20000119.5G185G185-T844 PolarHBondContact O-OG1 2.82Å
845Q30.5Very low31.2Very low134 Ų134112 Ų11263%0.62670%0.702SS**  trans-131.4154.7-142.3-78.8-168.119.700118.5C188C188-Q845 WeakPolarHBondContact CA-O 3.29Å; C188-Q845 PolarHBondContact N-O 3.23Å; C188-Q845 VanDerWaalsContact N-O 3.14Å
846L28.9Very low31.2Very low130 Ų130112 Ų11268%0.68171%0.711SS**  trans71.7124.8146-76168000123.1M189M189-L846 CarbonylContact C-O 3.45Å; M189-L846 VanDerWaalsContact C-O 3.26Å; M189-L846 PolarHBondContact N-O 3.17Å
847G26.1Very low31.7Very low55 Ų55109.9 Ų109.957%0.56771%0.707SS**  trans82.2163.3152.900000118.1M189M189-G847 CarbonylContact O-C 3.54Å; M189-G847 WeakPolarHBondContact O-CA 3.2Å
848A33.6Very low31.9Very low75 Ų75112.9 Ų112.962%0.6271%0.708SS**  cis-167.8145.3-34.200000111
849G30.4Very low32.5Very low71 Ų71115.1 Ų115.173%0.73271%0.71SS**  trans107.697.5150.800000123.7
850S32Very low32.9Very low113 Ų113116 Ų11679%0.7971%0.713SS**  trans75.7142.9135.175.80000125.8
851Q29.1Very low33.3Very low182 Ų182118 Ų11885%0.8571%0.714SS**  trans102.9142.4152.2-53.6-148.751.300122.9
852S25.5Very low33.6Very low108 Ų108121 Ų12176%0.75572%0.72SS**  trans54.199.316053.40000124.2
853V28.9Very low34.3Very low136 Ų136127.1 Ų127.182%0.82473%0.734SS**  1.7152113.8-1720000118
854P48.9Very low34.6Very low110 Ų110135.5 Ų135.571%0.71476%0.755SS**  cis-129.5-175.5-6.229.2-6.9000115.8
855S25.8Very low35.1Very low111 Ų111138.8 Ų138.878%0.77676%0.756SS**  146.2147.7125.4-62.50000116.9
856T35.1Very low35.8Very low135 Ų135136.1 Ų136.183%0.82876%0.764SS**  trans-104.2176.517543.20000110.6
857P42.7Very low36.6Very low109 Ų109138.4 Ų138.471%0.70877%0.772SS**  cis-151.2-165.526.445.9-23.4000119.2
858Q34.9Very low38Very low178 Ų178139.8 Ų139.883%0.83277%0.772SS**  trans78.1105.5158-70.3179.50.800122.2
859Q39.5Very low39Very low172 Ų172139.6 Ų139.680%0.80477%0.766SS**  38.3142.5128.3-60.2-56.2-21.300121.4
860P36.1Very low40Very low117 Ų117145.2 Ų145.276%0.7677%0.771SS**  cis-142.2-170.344.842.6-23.6000117.1
861I43.6Very low41.3Very low150 Ų150142.4 Ų142.477%0.76975%0.747SS**  trans-51.7131.9-177.2-64.4167.6000113.3
862K35.8Very low42.7Very low201 Ų201140.6 Ų140.687%0.87474%0.742SS**  trans-132.7111.2158.9-90.3179176.2167.10111.4
863R47.6Very low44.4Very low210 Ų210142 Ų14279%0.79274%0.741SS**  trans-77.5124.6155-64.3176.476.4178.16.4107.6
864R40.2Very low45.8Very low245 Ų245141 Ų14193%0.92573%0.731SS**  trans-119.1121.6145.4-86.1-165.9177.1-95.80.7107.3
865R42.6Very low46.4Very low173 Ų173141.5 Ų141.565%0.65373%0.726SS**  trans-80.8138.2176.9-168.5-166.7-61.8-117.311.5107.8S869R865-S869 PolarHBondContact NH1-OG 3.03Å
866G44.8Very low47.7Very low77 Ų77142 Ų14279%0.79473%0.725SS**  trans-146.3-7.817900000115.2
867E46.3Very low48.7Very low179 Ų179142 Ų14284%0.83672%0.718SS**SBendtrans-127.8152.7179.6-73.4165.815700109.5S869E867-S869 PolarHBondContact O-N 3.08Å
868S53.7Low49Very low83 Ų83142.1 Ų142.158%0.5872%0.719SS**  trans-70.7128-166.5-1760000112.6F870S868-F870 VanDerWaalsContact C-N 3.29Å; S868-F870 PolarHBondContact OG-N 3.29Å
869S54.9Low49.5Very low71 Ų71141.9 Ų141.950%0.49772%0.72SS.*THydrogen-bonded Turntrans-9115.5170.859.20000113.6R865 E867R865-S869 PolarHBondContact NH1-OG 3.03Å; E867-S869 PolarHBondContact O-N 3.08Å
870F52.4Low50.3Low189 Ų189137.5 Ų137.583%0.82971%0.708SS**THydrogen-bonded Turntrans-128.519.2178.4-64.4-72.1000112.5S868S868-F870 VanDerWaalsContact C-N 3.29Å; S868-F870 PolarHBondContact OG-N 3.29Å
871D59.7Low51Low55 Ų55139.7 Ų139.729%0.29472%0.719SS.*  trans-85.1113.1169.8176.520.3000110.4N873 N874D871-N873 PolarHBondContact O-N 2.94Å; D871-N873 VanDerWaalsContact O-N 3.14Å; D871-N873 WeakPolarHBondContact OD1-CB 3.35Å; D871-N873 PolarHBondContact OD1-N 2.86Å; D871-N873 PolarHBondContact OD1-ND2 3.24Å; D871-N874 HydrophobicContact CB-CB 4.48Å; D871-N874 PolarHBondContact O-N 2.96Å; D871-N874 PolarHBondContact OD2-ND2 2.97Å
872I58.6Low51.3Low144 Ų144136.2 Ų136.274%0.73871%0.712SS**G310 helixtrans-58.5-20.517645.1174.5000113.7N874I872-N874 VanDerWaalsContact C-N 3.26Å; I872-N874 PolarHBondContact O-N 3.37Å
873N61.4Low51.7Low138 Ų138131 Ų13174%0.73871%0.707SS**G310 helixtrans-77.2-9.7175.3-56.4-83.4000113.4D871D871-N873 PolarHBondContact O-N 2.94Å; D871-N873 VanDerWaalsContact O-N 3.14Å; D871-N873 WeakPolarHBondContact OD1-CB 3.35Å; D871-N873 PolarHBondContact OD1-N 2.86Å; D871-N873 PolarHBondContact OD1-ND2 3.24Å
874N58.3Low51.5Low114 Ų114126.6 Ų126.661%0.6170%0.703SS**G310 helixtrans-105.910-177.2-88.6-73.7000114.3D871 I872 V876D871-N874 HydrophobicContact CB-CB 4.48Å; D871-N874 PolarHBondContact O-N 2.96Å; D871-N874 PolarHBondContact OD2-ND2 2.97Å; I872-N874 VanDerWaalsContact C-N 3.26Å; I872-N874 PolarHBondContact O-N 3.37Å; N874-V876 PolarHBondContact O-N 3.24Å
875I59.5Low52Low120 Ų120121.7 Ų121.762%0.61570%0.701SS**  trans-8082.1172.3-48.4178.6000109.7I877I875-I877 HydrophobicContact CG2-CG1 4.08Å; I875-I877 PolarHBondContact O-N 3.22Å
876V54.7Low52.6Low123 Ų123123.7 Ų123.775%0.74571%0.709SS**  trans-72.490.6171.5-177.40000109.4N874 P878N874-V876 PolarHBondContact O-N 3.24Å; V876-P878 WeakPolarHBondContact O-CD 3.21Å
877I54.7Low52.9Low135 Ų135127.6 Ų127.669%0.69272%0.717SS**  trans-69.6115.4166.5-58.4178.8000107.7I875 M879I875-I877 HydrophobicContact CG2-CG1 4.08Å; I875-I877 PolarHBondContact O-N 3.22Å; I877-M879 PolarHBondContact O-N 2.86Å
878P49.2Very low54Low111 Ų111126.6 Ų126.672%0.72171%0.712SS**  trans-77.191.2177.1-8.427.3000108.5V876 S880V876-P878 WeakPolarHBondContact O-CD 3.21Å; P878-S880 VanDerWaalsContact C-N 3.26Å; P878-S880 PolarHBondContact O-N 2.98Å
879M46Very low54.5Low173 Ų173131.8 Ų131.885%0.85272%0.724SS**  trans-66.488.5172.2-167.197.87700108.8I877 V881I877-M879 PolarHBondContact O-N 2.86Å; M879-V881 PolarHBondContact O-N 2.9Å
880S55.4Low54.7Low80 Ų80135.2 Ų135.256%0.55974%0.736SS**  trans-66.7126-177.550.70000110.1P878 A882 A883P878-S880 VanDerWaalsContact C-N 3.26Å; P878-S880 PolarHBondContact O-N 2.98Å; S880-A882 PolarHBondContact O-N 3.26Å; S880-A883 PolarHBondContact O-N 2.71Å
881V52.8Low55.2Low163 Ų163134.8 Ų134.899%0.98874%0.737SS**THydrogen-bonded Turntrans-73.642.4177.5-73.10000112.6M879M879-V881 PolarHBondContact O-N 2.9Å
882A49.2Very low55.3Low76 Ų76142.8 Ų142.863%0.62876%0.764SS**THydrogen-bonded Turntrans-139.70.3179.200000113.1S880 T884S880-A882 PolarHBondContact O-N 3.26Å; A882-T884 PolarHBondContact O-N 3Å
883A43.6Very low55.7Low92 Ų92145 Ų14576%0.7677%0.769SS**  trans-74.777.7165.900000109.9S880S880-A883 PolarHBondContact O-N 2.71Å
884T44.5Very low56.1Low117 Ų117146.3 Ų146.372%0.71877%0.77SS**  trans-70.4147.8-175.650.50000113A882 R886A882-T884 PolarHBondContact O-N 3Å; T884-R886 PolarHBondContact O-N 3.26Å
885T49.4Very low56.4Low143 Ų143147.9 Ų147.988%0.87778%0.777SS**SBendtrans-6390.7173.350.90000112.6
886R56Low56.8Low215 Ų215149.1 Ų149.181%0.81179%0.785SS**  trans-163125.6158.6-106.2165.3-167.6178.31.7109.1T884 E888T884-R886 PolarHBondContact O-N 3.26Å; R886-E888 PolarHBondContact O-N 3.47Å
887V51.6Low56.8Low159 Ų159148.6 Ų148.696%0.96478%0.781SS**  trans-81.871.8166.2-174.20000107.9
888E69.6Low56.8Low158 Ų158147.3 Ų147.374%0.73878%0.782SS**  trans-79.2131.6166.4-168.2158.9-124.400107.7R886 L890R886-E888 PolarHBondContact O-N 3.47Å; E888-L890 VanDerWaalsContact C-N 3.33Å; E888-L890 PolarHBondContact O-N 2.68Å
889K62.4Low57.4Low191 Ų191147.3 Ų147.383%0.8379%0.785SS**  trans-68.394-179.5-177.3179.9178.7178.50108.7Q891K889-Q891 PolarHBondContact O-N 2.76Å
890L59.5Low57.8Low143 Ų143150.8 Ų150.875%0.74979%0.788SS**  trans-45.8107.5169.6-92.9154.4000108.6E888 Y892E888-L890 VanDerWaalsContact C-N 3.33Å; E888-L890 PolarHBondContact O-N 2.68Å; L890-Y892 PolarHBondContact O-N 2.88Å
891Q63Low58.2Low181 Ų181158 Ų15885%0.84680%0.803SS**  trans-68.2104.6172-70.2-174.8-9.500106.3K889 K893K889-Q891 PolarHBondContact O-N 2.76Å; Q891-K893 VanDerWaalsContact C-N 3.31Å; Q891-K893 PolarHBondContact O-N 2.96Å
892Y61.2Low58.6Low222 Ų222156 Ų15687%0.87180%0.796SS**  trans-58.397.1174.9-72.6-81000108.7L890 E894L890-Y892 PolarHBondContact O-N 2.88Å; Y892-E894 PolarHBondContact O-N 3.3Å; Y892-E894 VanDerWaalsContact O-N 3.15Å
893K68.7Low58.8Low190 Ų190158.1 Ų158.183%0.82680%0.802SS**  trans-71.8107.3167.4-155.3170.6-169.7175.50105.4Q891 I895Q891-K893 VanDerWaalsContact C-N 3.31Å; Q891-K893 PolarHBondContact O-N 2.96Å; K893-I895 PolarHBondContact O-N 3.35Å
894E68.7Low59.3Low166 Ų166158.6 Ų158.678%0.77679%0.792SS**  trans-53.8108.1-173.2-172.8177.217700110.2Y892 L896Y892-E894 PolarHBondContact O-N 3.3Å; Y892-E894 VanDerWaalsContact O-N 3.15Å; E894-L896 PolarHBondContact O-N 2.93Å; E894-L896 VanDerWaalsContact O-N 3.13Å
895I65.8Low59.9Low147 Ų147159.9 Ų159.975%0.75479%0.793SS**  trans-80.298.1174.6-53.8-179.6000105.3K893 T897K893-I895 PolarHBondContact O-N 3.35Å; I895-T897 VanDerWaalsContact C-N 3.33Å; I895-T897 PolarHBondContact O-N 2.82Å; I895-T897 PolarHBondContact O-OG1 3.14Å; I895-T897 VanDerWaalsContact O-OG1 3.06Å
896L66.2Low59.9Low147 Ų147162.1 Ų162.177%0.7779%0.79SS**  trans-51.4100.1172.3-75.2175.7000108.7E894E894-L896 PolarHBondContact O-N 2.93Å; E894-L896 VanDerWaalsContact O-N 3.13Å
897T56Low59.8Low111 Ų111155.9 Ų155.968%0.68178%0.78SS**PPolyproline II helixtrans-78.9120.3-174.9-64.10000106.8I895 S899I895-T897 VanDerWaalsContact C-N 3.33Å; I895-T897 PolarHBondContact O-N 2.82Å; I895-T897 PolarHBondContact O-OG1 3.14Å; I895-T897 VanDerWaalsContact O-OG1 3.06Å; T897-S899 PolarHBondContact O-N 3.04Å; T897-S899 VanDerWaalsContact O-N 3.15Å
898P55.1Low59.3Low108 Ų108156.2 Ų156.270%0.70177%0.771SS**PPolyproline II helixtrans-62.8122-175.424.9-33.3000109.5W900P898-W900 PolarHBondContact O-N 2.98Å
899S61.3Low58.3Low111 Ų111154.6 Ų154.678%0.77677%0.774SS**PPolyproline II helixtrans-61.7125.9178.3-178.20000110.4T897 R901T897-S899 PolarHBondContact O-N 3.04Å; T897-S899 VanDerWaalsContact O-N 3.15Å; S899-R901 PolarHBondContact O-N 3.3Å
900W53.8Low57.4Low246 Ų246152.2 Ų152.293%0.93277%0.769SS**  trans-68.5112.6176-63.394.5000109.3P898 S902P898-W900 PolarHBondContact O-N 2.98Å; W900-S902 PolarHBondContact O-N 3.18Å
901R63.8Low56.9Low231 Ų231150.2 Ų150.287%0.87276%0.762SS**  trans-78.8117.3171.2-63.2-175.1-178.8-137.3-1108.7S899 V903S899-R901 PolarHBondContact O-N 3.3Å; R901-V903 PolarHBondContact O-N 3.27Å; R901-V903 VanDerWaalsContact O-N 3.16Å
902S60.5Low56.4Low121 Ų121145.9 Ų145.985%0.84676%0.758SS**  trans-63.2110.5164.449.70000108.9W900W900-S902 PolarHBondContact O-N 3.18Å
903V54.9Low56.1Low122 Ų122144 Ų14474%0.73976%0.757SS**  trans-83.8118.2166.4178.60000106.6R901 I905R901-V903 PolarHBondContact O-N 3.27Å; R901-V903 VanDerWaalsContact O-N 3.16Å; V903-I905 PolarHBondContact O-N 2.96Å
904D53.3Low55.1Low102 Ų102140.3 Ų140.355%0.54574%0.743SS.*  trans-72120.4170.5-173.5-0.6000108.8F906 S907D904-F906 VanDerWaalsContact C-N 3.34Å; D904-F906 PolarHBondContact OD1-N 3.17Å; D904-F906 VanDerWaalsContact OD1-N 3.08Å; D904-S907 PolarHBondContact OD2-OG 2.66Å
905I57.1Low53.9Low144 Ų144139.5 Ų139.574%0.73874%0.744SS**THydrogen-bonded Turntrans-82.6-19.3-173.6-63.3176.3000110.5V903 S907V903-I905 PolarHBondContact O-N 2.96Å; I905-S907 VanDerWaalsContact C-N 3.34Å; I905-S907 PolarHBondContact O-N 3.33Å
906F49.4Very low53.3Low190 Ų190141.7 Ų141.783%0.83375%0.751SS**THydrogen-bonded Turntrans-87.50.9-174.2-60.4-76.1000114.1D904 Q908D904-F906 VanDerWaalsContact C-N 3.34Å; D904-F906 PolarHBondContact OD1-N 3.17Å; D904-F906 VanDerWaalsContact OD1-N 3.08Å; F906-Q908 VanDerWaalsContact C-N 3.35Å; F906-Q908 PolarHBondContact O-N 3.27Å
907S53.2Low52.7Low84 Ų84143 Ų14359%0.58775%0.745SS**  trans-86.714.9-173.8-38.40000115.7D904 I905D904-S907 PolarHBondContact OD2-OG 2.66Å; I905-S907 VanDerWaalsContact C-N 3.34Å; I905-S907 PolarHBondContact O-N 3.33Å
908Q41.1Very low52.8Low166 Ų166146.4 Ų146.478%0.77675%0.754SS**SBendtrans-120.9126.3172.8-69.5-169.71.900111.3F906 I910F906-Q908 VanDerWaalsContact C-N 3.35Å; F906-Q908 PolarHBondContact O-N 3.27Å; Q908-I910 PolarHBondContact O-N 3.23Å
909P49.5Very low53.2Low124 Ų124147.6 Ų147.681%0.80576%0.758SS**PPolyproline II helixtrans-72.4116.817929.2-33000110.2T911P909-T911 PolarHBondContact O-N 2.92Å
910I44.3Very low53.4Low140 Ų140150 Ų15072%0.71876%0.757SS**PPolyproline II helixtrans-66.2125.7176.8-52.8173.2000108.7Q908Q908-I910 PolarHBondContact O-N 3.23Å
911T48.2Very low54.2Low101 Ų101143.1 Ų143.162%0.6274%0.739SS**PPolyproline II helixtrans-66.4140.4174.241.90000110.9P909 E913 E914P909-T911 PolarHBondContact O-N 2.92Å; T911-E913 PolarHBondContact O-N 3.49Å; T911-E914 PolarHBondContact O-N 3.46Å
912A52.3Low54.8Low91 Ų91139.6 Ų139.675%0.75274%0.737SS**THydrogen-bonded Turntrans-65.17.5-168.800000116.6
913E55.3Low55.9Low181 Ų181137.2 Ų137.285%0.84672%0.717SS**THydrogen-bonded Turntrans-98.4-10.9-174.5-65.2171.3-146.300113.3T911T911-E913 PolarHBondContact O-N 3.49Å
914E47.1Very low57Low114 Ų114137.7 Ų137.753%0.53372%0.716SS.*SBendtrans-92.1-4.5177.6-167.9142.8-130.600113.9T911 E916 R917T911-E914 PolarHBondContact O-N 3.46Å; E914-E916 PolarHBondContact O-N 2.82Å; E914-R917 PolarHBondContact O-N 3.35Å; E914-R917 IonicContact OE1-NE 3.53Å; E914-R917 IonicContact OE1-NH2 3.95Å
915N43.3Very low58.3Low148 Ų148136.1 Ų136.179%0.79172%0.716SS**THydrogen-bonded Turntrans-68-10.7-178.5-96-11.3000115.5
916E53.2Low59.5Low193 Ų193130 Ų13090%0.90269%0.688SS**THydrogen-bonded Turntrans-92.6-0178.1-65.9-163.415800114E914 E918E914-E916 PolarHBondContact O-N 2.82Å; E916-E918 PolarHBondContact O-N 3.1Å
917R53.1Low61.1Low175 Ų175127.1 Ų127.166%0.6668%0.675SS**SBendtrans-85.399.7172.7-160.2178.2-47.7-62.1-6.6109.2E914 V919E914-R917 PolarHBondContact O-N 3.35Å; E914-R917 IonicContact OE1-NE 3.53Å; E914-R917 IonicContact OE1-NH2 3.95Å; R917-V919 PolarHBondContact O-N 3.16Å
918E58.6Low62.8Low183 Ų183128.1 Ų128.186%0.85567%0.673SS**  trans-43.1107.5175.1-171.8170.5-141.100110.5E916 E920E916-E918 PolarHBondContact O-N 3.1Å; E918-E920 PolarHBondContact O-N 2.65Å
919V64Low65Low132 Ų132127.3 Ų127.380%0.867%0.669SS**  trans-71.9111.3-179.11770000106.9R917 D921R917-V919 PolarHBondContact O-N 3.16Å; V919-D921 PolarHBondContact O-N 3.49Å
920E65.4Low66.6Low161 Ų161127.1 Ų127.175%0.75266%0.661SS**  trans-51.1123.1178.4-64.6-176.9143.100109.4E918 L922E918-E920 PolarHBondContact O-N 2.65Å; E920-L922 WeakPolarHBondContact O-CG 3.13Å; E920-L922 PolarHBondContact O-N 2.9Å
921D71Confident68.8Low102 Ų102124.9 Ų124.955%0.54565%0.647SS.*  trans-68.2101.3-175.1-174.5-7.4000110.1V919 T923 A926V919-D921 PolarHBondContact O-N 3.49Å; D921-T923 VanDerWaalsContact C-N 3.27Å; D921-T923 PolarHBondContact O-N 3.17Å; D921-T923 VanDerWaalsContact OD1-CB 3.22Å; D921-T923 WeakPolarHBondContact OD1-CB 3.22Å; D921-T923 WeakPolarHBondContact OD1-CG2 3.36Å; D921-T923 PolarHBondContact OD1-N 3.08Å; D921-T923 PolarHBondContact OD1-OG1 2.93Å; D921-T923 PolarHBondContact OD2-OG1 3.39Å; D921-A926 HydrophobicContact CB-CB 3.92Å; D921-A926 WeakPolarHBondContact O-CB 3.31Å
922L76.4Confident70.9Confident157 Ų157123.6 Ų123.682%0.82263%0.634SS**  trans-86.310.7178.3-59.1-174.1000113E920E920-L922 WeakPolarHBondContact O-CG 3.13Å; E920-L922 PolarHBondContact O-N 2.9Å
923T82.8Confident72.6Confident72 Ų72122.9 Ų122.944%0.44262%0.621SS.*SBendtrans-68.1148.3173.763.60000111.4D921 A925 A926 F927D921-T923 VanDerWaalsContact C-N 3.27Å; D921-T923 PolarHBondContact O-N 3.17Å; D921-T923 VanDerWaalsContact OD1-CB 3.22Å; D921-T923 WeakPolarHBondContact OD1-CB 3.22Å; D921-T923 WeakPolarHBondContact OD1-CG2 3.36Å; D921-T923 PolarHBondContact OD1-N 3.08Å; D921-T923 PolarHBondContact OD1-OG1 2.93Å; D921-T923 PolarHBondContact OD2-OG1 3.39Å; T923-A925 PolarHBondContact O-N 3.13Å; T923-A925 VanDerWaalsContact O-N 3.08Å; T923-A926 PolarHBondContact O-N 2.81Å; T923-A926 VanDerWaalsContact O-N 3.1Å; T923-F927 PolarHBondContact O-N 3.29Å; T923-F927 VanDerWaalsContact O-N 3.16Å
924D77.4Confident74.1Confident132 Ų132121.9 Ų121.971%0.70661%0.611SS**Hα-helixtrans-56.2-27.5174.5-67.1-43.1000112F927 I928D924-F927 PolarHBondContact O-N 2.93Å; D924-I928 VanDerWaalsContact O-CB 3.29Å; D924-I928 WeakPolarHBondContact O-CB 3.47Å; D924-I928 WeakPolarHBondContact O-CD1 3.45Å; D924-I928 WeakPolarHBondContact O-CG1 3.31Å; D924-I928 PolarHBondContact O-N 3.26Å
925A82.4Confident76.1Confident68 Ų68120.7 Ų120.756%0.56261%0.606SS**Hα-helixtrans-62.6-47.8176.200000112.4T923 F927 I928 Q929T923-A925 PolarHBondContact O-N 3.13Å; T923-A925 VanDerWaalsContact O-N 3.08Å; A925-F927 VanDerWaalsContact C-N 3.35Å; A925-I928 PolarHBondContact O-N 2.91Å; A925-Q929 WeakPolarHBondContact O-CB 3.22Å; A925-Q929 PolarHBondContact O-N 3.05Å
926A82.4Confident78.2Confident16 Ų16117.1 Ų117.113%0.13259%0.586CS.*Hα-helixtrans-64.9-39.8174.500000111.5D921 T923 I928 Q929 L930D921-A926 HydrophobicContact CB-CB 3.92Å; D921-A926 WeakPolarHBondContact O-CB 3.31Å; T923-A926 PolarHBondContact O-N 2.81Å; T923-A926 VanDerWaalsContact O-N 3.1Å; A926-I928 PolarHBondContact O-N 2.88Å; A926-Q929 PolarHBondContact O-N 3.07Å; A926-L930 WeakPolarHBondContact O-CG 3.4Å; A926-L930 PolarHBondContact O-N 3.32Å
927F82.9Confident79.8Confident129 Ų129113.6 Ų113.657%0.56657%0.57SS**Hα-helixtrans-67.2-36.3178.7-153.4-96.6000113.2T923 D924 A925 H931T923-F927 PolarHBondContact O-N 3.29Å; T923-F927 VanDerWaalsContact O-N 3.16Å; D924-F927 PolarHBondContact O-N 2.93Å; A925-F927 VanDerWaalsContact C-N 3.35Å; F927-H931 AromaticContact CD1-CE1 3.9Å; F927-H931 AromaticContact CD1-ND1 3.66Å; F927-H931 AromaticContact CE1-CE1 3.28Å; F927-H931 WeakPolarHBondContact CE1-CE1 3.46Å; F927-H931 AromaticContact CE1-ND1 3.54Å; F927-H931 AromaticContact CZ-CE1 3.73Å; F927-H931 PolarHBondContact O-N 3.13Å; F927-H931 VanDerWaalsContact O-N 3.14Å; F927-H931 PolarHBondContact O-ND1 3.13Å; F927-H931 VanDerWaalsContact O-ND1 3.12Å
928I87.8Confident81.1Confident105 Ų105110.4 Ų110.454%0.53856%0.562SS.*Hα-helixtrans-66.3-45.2170.3-72.3162.9000110.2D924 A925 A926 L930 H931 Q932D924-I928 VanDerWaalsContact O-CB 3.29Å; D924-I928 WeakPolarHBondContact O-CB 3.47Å; D924-I928 WeakPolarHBondContact O-CD1 3.45Å; D924-I928 WeakPolarHBondContact O-CG1 3.31Å; D924-I928 PolarHBondContact O-N 3.26Å; A925-I928 PolarHBondContact O-N 2.91Å; A926-I928 PolarHBondContact O-N 2.88Å; I928-L930 PolarHBondContact O-N 3.36Å; I928-H931 PolarHBondContact O-N 2.96Å; I928-Q932 WeakPolarHBondContact O-CB 3.37Å; I928-Q932 PolarHBondContact O-N 2.85Å
929Q87.8Confident82.3Confident149 Ų149108 Ų10870%0.69655%0.546SS*.Hα-helixtrans-60.3-35.3178.7-168.2178.217.400112.2A925 A926 P933A925-Q929 WeakPolarHBondContact O-CB 3.22Å; A925-Q929 PolarHBondContact O-N 3.05Å; A926-Q929 PolarHBondContact O-N 3.07Å; Q929-P933 VanDerWaalsContact O-CD 3.26Å; Q929-P933 WeakPolarHBondContact O-CD 3.46Å
930L83.7Confident82.9Confident121 Ų121104.8 Ų104.863%0.63453%0.529SS*.Hα-helixtrans-72.8-31.1173.5-70.7169.4000113.4A926 I928 Y934A926-L930 WeakPolarHBondContact O-CG 3.4Å; A926-L930 PolarHBondContact O-N 3.32Å; I928-L930 PolarHBondContact O-N 3.36Å; L930-Y934 WeakPolarHBondContact O-CD2 3.45Å
931H89.3Confident83.4Confident93 Ų93105 Ų10543%0.43152%0.523SS..Hα-helixtrans-82-33.8176.7-87.885.1000114.2F927 I928 P933 Y934 E935F927-H931 AromaticContact CD1-CE1 3.9Å; F927-H931 AromaticContact CD1-ND1 3.66Å; F927-H931 AromaticContact CE1-CE1 3.28Å; F927-H931 WeakPolarHBondContact CE1-CE1 3.46Å; F927-H931 AromaticContact CE1-ND1 3.54Å; F927-H931 AromaticContact CZ-CE1 3.73Å; F927-H931 PolarHBondContact O-N 3.13Å; F927-H931 VanDerWaalsContact O-N 3.14Å; F927-H931 PolarHBondContact O-ND1 3.13Å; F927-H931 VanDerWaalsContact O-ND1 3.12Å; I928-H931 PolarHBondContact O-N 2.96Å; H931-P933 VanDerWaalsContact C-CD 3.48Å; H931-Y934 WeakPolarHBondContact O-CA 3.19Å; H931-Y934 WeakPolarHBondContact O-CB 3.15Å; H931-Y934 PolarHBondContact O-N 3.3Å; H931-E935 PolarHBondContact O-N 2.87Å
932Q92.1Very high83.1Confident73 Ų73108.5 Ų108.534%0.34153%0.529SS..Hα-helixtrans-45.3-48.5-178.8-17364.247.700114.5I928 Y934 E935 D936I928-Q932 WeakPolarHBondContact O-CB 3.37Å; I928-Q932 PolarHBondContact O-N 2.85Å; Q932-Y934 VanDerWaalsContact C-N 3.3Å; Q932-Y934 PolarHBondContact O-N 3.25Å; Q932-E935 PolarHBondContact O-N 3.31Å; Q932-D936 PolarHBondContact NE2-OD2 3.48Å; Q932-D936 PolarHBondContact O-N 3.25Å
933P89.5Confident82.7Confident76 Ų76104.5 Ų104.549%0.49451%0.511SS..Hα-helixtrans-66.5-27.8178.926.2-35.9000113.8Q929 H931 Q937Q929-P933 VanDerWaalsContact O-CD 3.26Å; Q929-P933 WeakPolarHBondContact O-CD 3.46Å; H931-P933 VanDerWaalsContact C-CD 3.48Å; P933-Q937 VanDerWaalsContact O-CB 3.31Å; P933-Q937 WeakPolarHBondContact O-CB 3.42Å; P933-Q937 PolarHBondContact O-N 3.03Å
934Y87Confident81.4Confident161 Ų161109.3 Ų109.363%0.63152%0.521SS*.Hα-helixtrans-77.6-39.4174.7-63.2-75.6000111.3L930 H931 Q932 Q937 E938L930-Y934 WeakPolarHBondContact O-CD2 3.45Å; H931-Y934 WeakPolarHBondContact O-CA 3.19Å; H931-Y934 WeakPolarHBondContact O-CB 3.15Å; H931-Y934 PolarHBondContact O-N 3.3Å; Q932-Y934 VanDerWaalsContact C-N 3.3Å; Q932-Y934 PolarHBondContact O-N 3.25Å; Y934-Q937 PolarHBondContact O-N 3.22Å; Y934-E938 PolarHBondContact O-N 2.69Å
935E88.3Confident80.5Confident89 Ų89109.3 Ų109.342%0.41652%0.518SS..Hα-helixtrans-59.8-44.7170.1-83.3-151.2-137.100112H931 Q932 Q937 E938 R939H931-E935 PolarHBondContact O-N 2.87Å; Q932-E935 PolarHBondContact O-N 3.31Å; E935-Q937 VanDerWaalsContact C-N 3.32Å; E935-Q937 PolarHBondContact O-N 2.76Å; E935-E938 CarbonylContact O-C 3.6Å; E935-E938 WeakPolarHBondContact O-CB 3.49Å; E935-E938 PolarHBondContact O-N 2.76Å; E935-R939 WeakPolarHBondContact O-CB 3.49Å; E935-R939 WeakPolarHBondContact O-CD 2.98Å; E935-R939 WeakPolarHBondContact O-CG 3.41Å; E935-R939 PolarHBondContact O-N 3.14Å; E935-R939 IonicContact OE2-CZ 3.53Å; E935-R939 IonicContact OE2-NE 3.6Å; E935-R939 PolarHBondContact OE2-NE 2.95Å; E935-R939 IonicContact OE2-NH2 2.87Å; E935-R939 PolarHBondContact OE2-NH2 2.88Å
936D88.3Confident79.3Confident73 Ų73110.1 Ų110.139%0.3953%0.525SS..Hα-helixtrans-71.1-27.8177.1-73.2-36.7000112.5Q932 R939 S940Q932-D936 PolarHBondContact NE2-OD2 3.48Å; Q932-D936 PolarHBondContact O-N 3.25Å; D936-R939 WeakPolarHBondContact OD1-CD 3.4Å; D936-S940 VanDerWaalsContact O-CB 3.24Å; D936-S940 WeakPolarHBondContact O-CB 3.41Å; D936-S940 PolarHBondContact O-N 3.48Å; D936-S940 PolarHBondContact O-OG 3.25Å
937Q85.1Confident77.9Confident118 Ų118115.5 Ų115.555%0.55155%0.551SS**Hα-helixtrans-69.4-34.4168.5-173.2165.981.100112.6P933 Y934 E935 S940 R941P933-Q937 VanDerWaalsContact O-CB 3.31Å; P933-Q937 WeakPolarHBondContact O-CB 3.42Å; P933-Q937 PolarHBondContact O-N 3.03Å; Y934-Q937 PolarHBondContact O-N 3.22Å; E935-Q937 VanDerWaalsContact C-N 3.32Å; E935-Q937 PolarHBondContact O-N 2.76Å; Q937-S940 WeakPolarHBondContact CA-OG 3.18Å; Q937-S940 PolarHBondContact O-OG 2.76Å; Q937-S940 VanDerWaalsContact O-OG 3.13Å; Q937-R941 WeakPolarHBondContact O-CB 3.01Å; Q937-R941 VanDerWaalsContact O-CG 3.29Å; Q937-R941 WeakPolarHBondContact O-CG 3.36Å; Q937-R941 PolarHBondContact O-N 3.38Å
938E81.1Confident76.3Confident108 Ų108111.9 Ų111.951%0.50554%0.544SS..Hα-helixtrans-69.8-51.8170.8178.9110.8-113.600110.7Y934 E935 S940 R941 W942Y934-E938 PolarHBondContact O-N 2.69Å; E935-E938 CarbonylContact O-C 3.6Å; E935-E938 WeakPolarHBondContact O-CB 3.49Å; E935-E938 PolarHBondContact O-N 2.76Å; E938-S940 VanDerWaalsContact C-N 3.27Å; E938-S940 PolarHBondContact O-N 3.37Å; E938-R941 CarbonylContact O-C 3.5Å; E938-R941 WeakPolarHBondContact O-CA 3.37Å; E938-R941 VanDerWaalsContact O-CB 3.27Å; E938-R941 WeakPolarHBondContact O-CB 3.48Å; E938-R941 PolarHBondContact O-N 3.46Å; E938-W942 PolarHBondContact O-N 3.08Å; E938-W942 PolarHBondContact OE1-NE1 2.89Å
939R83.4Confident74.3Confident133 Ų133112.2 Ų112.250%0.50255%0.554SS.*Hα-helixtrans-56.1-41.3178.1-67.7161.3-175.4-146.34111.2E935 D936 W942 T943E935-R939 WeakPolarHBondContact O-CB 3.49Å; E935-R939 WeakPolarHBondContact O-CD 2.98Å; E935-R939 WeakPolarHBondContact O-CG 3.41Å; E935-R939 PolarHBondContact O-N 3.14Å; E935-R939 IonicContact OE2-CZ 3.53Å; E935-R939 IonicContact OE2-NE 3.6Å; E935-R939 PolarHBondContact OE2-NE 2.95Å; E935-R939 IonicContact OE2-NH2 2.87Å; E935-R939 PolarHBondContact OE2-NH2 2.88Å; D936-R939 WeakPolarHBondContact OD1-CD 3.4Å; R939-W942 PolarHBondContact O-N 2.95Å; R939-T943 VanDerWaalsContact O-CB 3.23Å; R939-T943 WeakPolarHBondContact O-CB 3.4Å; R939-T943 PolarHBondContact O-N 3.28Å; R939-T943 PolarHBondContact O-OG1 3.44Å
940S76.8Confident72.3Confident65 Ų65109.6 Ų109.646%0.45556%0.558SS.*Hα-helixtrans-70.9-38.117358.90000113.1D936 Q937 E938 W942 T943 W944D936-S940 VanDerWaalsContact O-CB 3.24Å; D936-S940 WeakPolarHBondContact O-CB 3.41Å; D936-S940 PolarHBondContact O-N 3.48Å; D936-S940 PolarHBondContact O-OG 3.25Å; Q937-S940 WeakPolarHBondContact CA-OG 3.18Å; Q937-S940 PolarHBondContact O-OG 2.76Å; Q937-S940 VanDerWaalsContact O-OG 3.13Å; E938-S940 VanDerWaalsContact C-N 3.27Å; E938-S940 PolarHBondContact O-N 3.37Å; S940-W942 VanDerWaalsContact C-N 3.26Å; S940-W942 PolarHBondContact O-N 3.49Å; S940-T943 PolarHBondContact O-N 3.01Å; S940-W944 PolarHBondContact O-N 3.47Å
941R76.2Confident70.3Confident165 Ų165113.6 Ų113.662%0.62357%0.57SS**Hα-helixtrans-57.7-32.5169.9-92.7174.8157.6-98.9-0.8113.6Q937 E938 W944Q937-R941 WeakPolarHBondContact O-CB 3.01Å; Q937-R941 VanDerWaalsContact O-CG 3.29Å; Q937-R941 WeakPolarHBondContact O-CG 3.36Å; Q937-R941 PolarHBondContact O-N 3.38Å; E938-R941 CarbonylContact O-C 3.5Å; E938-R941 WeakPolarHBondContact O-CA 3.37Å; E938-R941 VanDerWaalsContact O-CB 3.27Å; E938-R941 WeakPolarHBondContact O-CB 3.48Å; E938-R941 PolarHBondContact O-N 3.46Å; R941-W944 VanDerWaalsContact C-CD1 3.5Å; R941-W944 PolarHBondContact O-NE1 2.91Å
942W65.3Low68.4Low176 Ų176120.1 Ų120.167%0.66759%0.59SS**Hα-helixtrans-86.9-34.6176-69.448.3000110.9E938 R939 S940 M945 A946E938-W942 PolarHBondContact O-N 3.08Å; E938-W942 PolarHBondContact OE1-NE1 2.89Å; R939-W942 PolarHBondContact O-N 2.95Å; S940-W942 VanDerWaalsContact C-N 3.26Å; S940-W942 PolarHBondContact O-N 3.49Å; W942-M945 PolarHBondContact O-N 3.29Å; W942-A946 PolarHBondContact O-N 3.25Å
943T68.4Low66Low72 Ų72128.3 Ų128.344%0.44262%0.618SS.*Hα-helixtrans-66.5-40.9179.1-61.60000112.9R939 S940 M945 A946 L947R939-T943 VanDerWaalsContact O-CB 3.23Å; R939-T943 WeakPolarHBondContact O-CB 3.4Å; R939-T943 PolarHBondContact O-N 3.28Å; R939-T943 PolarHBondContact O-OG1 3.44Å; S940-T943 PolarHBondContact O-N 3.01Å; T943-M945 VanDerWaalsContact C-N 3.26Å; T943-M945 PolarHBondContact O-N 2.9Å; T943-A946 PolarHBondContact O-N 2.91Å; T943-L947 HydrophobicContact CG2-CD1 3.67Å; T943-L947 HydrophobicContact CG2-CG 4.1Å; T943-L947 WeakPolarHBondContact O-CB 3.34Å; T943-L947 WeakPolarHBondContact O-CG 3.49Å; T943-L947 PolarHBondContact O-N 3.44Å
944W54.5Low63.5Low173 Ų173127.6 Ų127.666%0.65562%0.624SS**Hα-helixtrans-66.3-30.1175.185.2-79.6000112.1S940 R941 A948S940-W944 PolarHBondContact O-N 3.47Å; R941-W944 VanDerWaalsContact C-CD1 3.5Å; R941-W944 PolarHBondContact O-NE1 2.91Å; W944-A948 VanDerWaalsContact O-CB 3.25Å; W944-A948 WeakPolarHBondContact O-CB 3.27Å; W944-A948 PolarHBondContact O-N 2.91Å
945M58.8Low61Low132 Ų132125.7 Ų125.765%0.6564%0.635SS**Hα-helixtrans-71.7-37.3173.8-69.9-177.75900112.1W942 T943W942-M945 PolarHBondContact O-N 3.29Å; T943-M945 VanDerWaalsContact C-N 3.26Å; T943-M945 PolarHBondContact O-N 2.9Å
946A56Low59.3Low85 Ų85130.1 Ų130.170%0.70265%0.648SS**Hα-helixtrans-71.6-34.9175.400000113.1W942 T943W942-A946 PolarHBondContact O-N 3.25Å; T943-A946 PolarHBondContact O-N 2.91Å
947L53.7Low56.7Low130 Ų130131 Ų13168%0.68166%0.66SS**Hα-helixtrans-90.5-9.9180-64.8-178.8000114.1T943 P949T943-L947 HydrophobicContact CG2-CD1 3.67Å; T943-L947 HydrophobicContact CG2-CG 4.1Å; T943-L947 WeakPolarHBondContact O-CB 3.34Å; T943-L947 WeakPolarHBondContact O-CG 3.49Å; T943-L947 PolarHBondContact O-N 3.44Å; L947-P949 WeakPolarHBondContact O-CD 2.87Å
948A49Very low54.5Low52 Ų52133.6 Ų133.643%0.4367%0.666SS.*SBendtrans-57.6109.6177.900000110.9W944 A950W944-A948 VanDerWaalsContact O-CB 3.25Å; W944-A948 WeakPolarHBondContact O-CB 3.27Å; W944-A948 PolarHBondContact O-N 2.91Å; A948-A950 PolarHBondContact O-N 3.12Å; A948-A950 VanDerWaalsContact O-N 3.08Å
949P46.1Very low52.4Low113 Ų113136.1 Ų136.173%0.73468%0.675SS**  trans-66.7119.1-176.3-19.933.8000109L947 K951L947-P949 WeakPolarHBondContact O-CD 2.87Å; P949-K951 PolarHBondContact O-N 3.19Å
950A46.2Very low50.4Low94 Ų94134.4 Ų134.478%0.77768%0.683SS**  trans-6194-174.100000111.3A948 R952A948-A950 PolarHBondContact O-N 3.12Å; A948-A950 VanDerWaalsContact O-N 3.08Å; A950-R952 PolarHBondContact O-N 3.11Å
951K40.8Very low48.2Very low204 Ų204137.6 Ų137.689%0.88770%0.7SS**  trans-69.664.1179.6-77.5-176177.2174.30111.8P949 R953P949-K951 PolarHBondContact O-N 3.19Å; K951-R953 PolarHBondContact O-N 3.13Å; K951-R953 VanDerWaalsContact O-N 3.09Å
952R50Low46.6Very low230 Ų230136.7 Ų136.787%0.86871%0.707SS**  trans-65.3107.6162.3-64.8-145-77.7-170.7-5.1107.7A950 G954A950-R952 PolarHBondContact O-N 3.11Å; R952-G954 PolarHBondContact O-N 3.23Å
953R41.9Very low45.2Very low246 Ų246131.2 Ų131.293%0.92871%0.706SS**  trans-52.2126.9169.3-178.5177.6-89-105.24.6107.6K951K951-R953 PolarHBondContact O-N 3.13Å; K951-R953 VanDerWaalsContact O-N 3.09Å
954G36Very low43.9Very low60 Ų60139 Ų13962%0.61973%0.727SS**  trans-68.4-176.8-164.200000115.4R952R952-G954 PolarHBondContact O-N 3.23Å
955S35.9Very low43Very low122 Ų122136.7 Ų136.785%0.85373%0.732SS**  cis-163.8160.425.9-85.70000111.6
956R51.3Low41.8Very low181 Ų181136.6 Ų136.668%0.68374%0.739SS**  cis-171.1161-18.3-170-169.2-179.9-87.46.9108.8
957S33.6Very low41.2Very low92 Ų92137.9 Ų137.964%0.64374%0.74SS**  trans95.9148.4150.5-55.30000117.4
958Y40Very low40.3Very low172 Ų172140.2 Ų140.268%0.67575%0.752SS**  cis-166.6-173.6-28.3-165.5-137.8000109.8
959K37.3Very low39.6Very low162 Ų162146.2 Ų146.270%0.70478%0.776SS**  trans73.892.8176.5-56-63.6-178.7177.50114.2
960S39.6Very low38.7Very low97 Ų97147.3 Ų147.368%0.67879%0.785SS**  79.1143.274.569.10000112
961V31.1Very low37.9Very low131 Ų131145.5 Ų145.579%0.79478%0.776SS**  cis-158.4160.210.492.30000107
962D42Very low37.4Very low147 Ų147142.8 Ų142.879%0.78678%0.776SS**  cis-140.5-138.6-0.1-164.9-110.2000109.8
963G36.5Very low36.5Very low61 Ų61139.1 Ų139.163%0.62977%0.774SS**  trans-175.4113.8172.500000116.3
964R40.6Very low36.8Very low236 Ų236132.6 Ų132.689%0.89176%0.764SS**  trans-175.7149.1173.9-109.3166.8170.5174.8-5.1108.2
965T36.4Very low37.1Very low123 Ų123135.6 Ų135.676%0.75577%0.772SS**  cis-155.1156.2-7.4-19.50000109.1
966T33.5Very low36.9Very low130 Ų130135.9 Ų135.980%0.79877%0.769SS**  trans-85.2136.3162.7-39.90000109.5
967P43.2Very low36Very low113 Ų113133 Ų13373%0.73477%0.774SS**  trans-83.2150178.532.9-34.7000113
968L34.8Very low35.9Very low178 Ų178137.5 Ų137.593%0.93279%0.785SS**  trans-125.4151.4162-77170.1000108.4
969L34.1Very low35.7Very low178 Ų178135 Ų13593%0.93279%0.79SS**  trans-107.8127.6-175.2-75.1158.6000111.1
970C28.7Very low35.2Very low136 Ų136131.8 Ų131.892%0.91979%0.793SS**  trans179.5145.6132.8-159.90000111.6
971G29Very low34.6Very low57 Ų57132.5 Ų132.559%0.58880%0.798SS**  trans101.4115.7145.500000120.1
972T29.8Very low35.1Very low146 Ų146132.5 Ų132.590%0.89680%0.8SS**  trans65.9153.9150.267.60000121.5
973N31.3Very low34.5Very low154 Ų154131.7 Ų131.782%0.82480%0.796SS**  trans-163.2171.5-170.4-101.6-49.9000109.2
974P48.5Very low34.5Very low109 Ų109135 Ų13571%0.70881%0.806SS**  cis-101.5-135.7-1.829.1-9.6000111.3
975P42.8Very low33.8Very low122 Ų122126.6 Ų126.679%0.79279%0.794SS**  cis-130.2-177.947.842.3-27.5000115.6
976T30.4Very low33.5Very low129 Ų129130.1 Ų130.179%0.79180%0.801SS**  trans-88.9168.917126.80000112.5
977P33.7Very low32.9Very low120 Ų120129.7 Ų129.778%0.77980%0.802SS**  cis-130.2163.617.841.4-25.9000117.9
978Q29.8Very low32.5Very low187 Ų187130.5 Ų130.587%0.87481%0.807SS**  trans-99.3158.7155.6-69-172.5-76.200110.9
979P36.2Very low32.1Very low120 Ų120126.7 Ų126.778%0.77980%0.796SS**  trans-130.8158.1139.437.8-28.2000111.9
980A26.6Very low31.6Very low94 Ų94125.1 Ų125.178%0.77779%0.787SS**  cis-165150.1-26.900000107.4
981S28.2Very low31.5Very low112 Ų112125.6 Ų125.678%0.78378%0.776SS**PPolyproline II helixtrans-79.8153.9172.5-55.80000111.8
982P40.6Very low31.2Very low130 Ų130128.5 Ų128.584%0.84478%0.778SS**PPolyproline II helixtrans-81.8120.3148.232.3-26.7000109.4
983D29.5Very low31.2Very low130 Ų130132.1 Ų132.170%0.69578%0.777SS**PPolyproline II helixtrans-83.8170.9173-167.250.5000110.7G985D983-G985 PolarHBondContact OD2-N 3.08Å
984P36.6Very low31Very low130 Ų130128.2 Ų128.284%0.84476%0.761SS**  -150.6127.2104.735.3-17.6000115.7
985G26.6Very low30Very low61 Ų61128.5 Ų128.563%0.62975%0.753SS**  trans-154.9-24.1177.100000123.4D983D983-G985 PolarHBondContact OD2-N 3.08Å
986H28.6Very low29.9Very low196 Ų196126 Ų12691%0.90774%0.735SS**  trans66.4150.5-175.4-89.652.2000118.4
987C22.6Very low30.2Very low121 Ų121123.7 Ų123.782%0.81872%0.723SS**  trans-91.6-175.9-178.1-51.70000110.8
988P34.5Very low30.3Very low130 Ų130122.5 Ų122.584%0.84472%0.717SS**  cis-141.2-144.313.444.9-23000115.7
989S25.3Very low30.7Very low98 Ų98120 Ų12069%0.68572%0.718SS**  trans-116.7177.3-157.457.80000115.2
990L24.7Very low30.5Very low145 Ų145122.7 Ų122.776%0.75972%0.722SS**  trans94.9128.9153.9-69.1163.4000119.2
991H25.2Very low31.4Very low147 Ų147123.9 Ų123.968%0.68172%0.724SS**  trans73.8145.5143.2-84.843.6000120.5
992D24Very low31.9Very low117 Ų117124.1 Ų124.163%0.62672%0.723SS**  trans65.1122.1143.6-62.1-6.1000118.4
993Y29.3Very low31.4Very low222 Ų222123.4 Ų123.487%0.87172%0.719SS**  63.1142.582.8-81.4-76000113.3
994S26.4Very low31.6Very low72 Ų72122.7 Ų122.750%0.50372%0.723SS.*  cis-122.1-129.1-0.957.20000110.6
995H28Very low31.7Very low115 Ų115122.3 Ų122.353%0.53272%0.721SS.*  trans135.653.6177.714.3-72.5000113.7S287 D288S287-H995 WeakPolarHBondContact OG-CB 3.23Å; S287-H995 PolarHBondContact OG-CD2 2.82Å; D288-H995 HydrophobicContact CB-CB 3.72Å; D288-H995 VanDerWaalsContact OD1-CB 3.22Å; D288-H995 WeakPolarHBondContact OD1-CB 3.37Å; D288-H995 IonicContact OD1-CG 3.7Å; D288-H995 IonicContact OD1-ND1 3.04Å; D288-H995 PolarHBondContact OD1-ND1 3.32Å; D288-H995 IonicContact OD2-CE1 3.69Å; D288-H995 IonicContact OD2-CG 2.73Å; D288-H995 IonicContact OD2-ND1 2.64Å; D288-H995 PolarHBondContact OD2-ND1 2.88Å
996V40.9Very low31.6Very low69 Ų69126.8 Ų126.842%0.41873%0.731SS.*  trans-85.2-153.1-170.5-133.20000110.9D288D288-V996 WeakPolarHBondContact CA-O 3.4Å; D288-V996 WeakPolarHBondContact OD1-CG2 3.49Å; D288-V996 PolarHBondContact OD1-N 2.78Å
997P36.1Very low31.6Very low82 Ų82121.7 Ų121.753%0.53272%0.722SS.*  cis-79.7-167.5-7.8-14.733.3000116.1D288 G289D288-P997 VanDerWaalsContact O-CG 3.32Å; D288-P997 WeakPolarHBondContact O-CG 3.47Å; G289-P997 WeakPolarHBondContact O-CA 3.41Å; G289-P997 WeakPolarHBondContact O-CB 3.22Å
998S37.3Very low31.6Very low94 Ų94121.5 Ų121.566%0.65772%0.722SS**  trans-137.2160.9159.4-57.10000108.3
999P37.7Very low31.2Very low136 Ų136120.2 Ų120.288%0.88372%0.716SS**  -122.9165.1115.4-3.423.4000113.2
1000M30.9Very low31.2Very low176 Ų176122.9 Ų122.987%0.86772%0.723SS**  trans-90.1155.5-176.4-67.3165.758.300113.1
1001S46.2Very low31.6Very low119 Ų119120.7 Ų120.783%0.83272%0.718SS**  trans-71.8154.8177.9-410000114
1002P38.8Very low31.6Very low116 Ų116122 Ų12275%0.75372%0.724SS**  -144.2-173.6124.639.7-25.4000112.1
1003P29.5Very low31.7Very low116 Ų116122.6 Ų122.675%0.75373%0.732SS**  -130.6179.2-54.839.2-25000112.5
1004S35.1Very low32Very low114 Ų114117.6 Ų117.680%0.79773%0.727SS**  trans-84.9159.5162.8-53.30000112.2
1005P38.7Very low31.9Very low123 Ų123119.9 Ų119.980%0.79974%0.742SS**  trans-140.1164.2137.538.8-26.7000114.7
1006D24.7Very low31.7Very low155 Ų155118.8 Ų118.883%0.82975%0.746SS**  trans-105.1156.8178.8-71.3-72.5000114
1007A27.1Very low31Very low88 Ų88125.3 Ų125.373%0.72776%0.764SS**  trans58.8150.2144.700000123.8
1008S24.3Very low30.4Very low117 Ų117126.4 Ų126.482%0.81877%0.765SS**  trans72.3151.7156.475.40000118.6
1009S25.3Very low29.9Very low103 Ų103125.8 Ų125.872%0.7276%0.761SS**  cis-172.3150.4-17.449.20000113.3
1010N24.4Very low29.4Very low154 Ų154127.1 Ų127.182%0.82476%0.755SS**  trans62.6170.1156.9-100.5-7.9000118.7
1011P33.6Very low29.3Very low100 Ų100129.1 Ų129.165%0.64975%0.753SS**  cis-105.1-164.1-937.2-20.9000111.1
1012Q26Very low28.4Very low175 Ų175130.8 Ų130.882%0.81875%0.752SS**  cis-165.7139.620.8-154.6155.6-9.300112.2
1013T26.5Very low27.9Very low129 Ų129132.5 Ų132.579%0.79175%0.754SS**  trans-87.8154.4161.7-50000109.7
1014P34.2Very low27.7Very low117 Ų117131.8 Ų131.876%0.7675%0.751SS**  -153.7170.177.941.9-23.3000117.2
1015C23.7Very low27.3Very low120 Ų120132.4 Ų132.481%0.81175%0.746SS**  trans37.4143.2147.9-1060000121.5
1016S24Very low26.7Very low91 Ų91133.2 Ų133.264%0.63674%0.739SS**  cis-172.9152.143.3-145.70000114.8
1017R26.7Very low27Very low207 Ų207132.1 Ų132.178%0.78173%0.733SS**  trans56.9112.1138.7-79.6-168.484.1163.97.6123.7
1018D24.5Very low27.1Very low105 Ų105133.1 Ų133.156%0.56173%0.73SS**  94147.496.4-153.8-1.5000121.2
1019S25.9Very low27.3Very low81 Ų81138.9 Ų138.957%0.56673%0.734SS**  trans71.597.2149-78.90000122.7
1020H27.4Very low27.3Very low164 Ų164139.9 Ų139.976%0.75974%0.74SS**  67.6117.1108.9-76.3-49.5000122.3
1021R28.8Very low27.4Very low217 Ų217138.4 Ų138.482%0.81974%0.742SS**  67.2118.2111.1-165.4-161-141.5-156.59.8118.1
1022L28Very low27.6Very low155 Ų155139.9 Ų139.981%0.81275%0.749SS**  -165.7177.9114-104.2168.9000113.1
1023L27.2Very low28.1Very low152 Ų152137.5 Ų137.580%0.79675%0.748SS**  trans-113.6-178.5-169-69.5160000111.4
1024S25.3Very low28.1Very low101 Ų101137.8 Ų137.871%0.70675%0.745SS**  trans118.2121.9140.582.30000116.4
1025N26.4Very low27.7Very low126 Ų126141.6 Ų141.667%0.67475%0.75SS**  84.4148.985.8-7256.2000111.2
1026E27.4Very low28.1Very low141 Ų141141.4 Ų141.466%0.65975%0.745SS**  cis-157.5164.7-8.7-150.585.5102.300110.7
1027D29.5Very low28.4Very low132 Ų132146.5 Ų146.571%0.70676%0.756SS**  trans53.8129.5138-95.9-9000126.6
1028T29.4Very low28.7Very low109 Ų109144.4 Ų144.467%0.66976%0.756SS**  trans67.7143.2140.669.40000119.7
1029R28.1Very low29.1Very low237 Ų237146.5 Ų146.589%0.89476%0.762SS**  -158.217051.2-80.7-175.5166.7139.32.5113.5
1030C26Very low29.4Very low125 Ų125154.1 Ų154.185%0.84578%0.778SS**  trans-94.2160.1172.4-53.20000112.8
1031S27.7Very low29.8Very low123 Ų123151.7 Ų151.786%0.8678%0.775SS**  trans-165.7136145.1-92.20000111.2
1032T36Very low30.2Very low130 Ų130147.2 Ų147.280%0.79877%0.772SS**  trans-112.6166.7165.647.10000109.9
1033P36.8Very low30.7Very low125 Ų125144 Ų14481%0.81277%0.767SS**  trans-133.5160140.836.7-25.6000113.5
1034D26.1Very low31.4Very low135 Ų135141.9 Ų141.972%0.72276%0.763SS**  trans-83.6169.5-172.9-46.6-94.1000114.1
1035F27.7Very low32.4Very low198 Ų198147.9 Ų147.987%0.86877%0.77SS**  -172.5178.9104.9-109.2-79.1000112.9
1036T31.1Very low33.4Very low116 Ų116150.8 Ų150.871%0.71278%0.78SS**  trans-113.7147.6-152.554.10000115.7
1037F30.3Very low33.9Very low197 Ų197155.4 Ų155.486%0.86479%0.791SS**  trans-152.1-178.6135.9-157.2-116.8000112.6
1038E32.4Very low34.7Very low164 Ų164160.1 Ų160.177%0.76680%0.799SS**  trans-108165.9-139.6-151.2172.8159.900116.2
1039E33.3Very low35.3Very low149 Ų149162.5 Ų162.570%0.69681%0.807SS**  trans-89.7144.1-168.6-179.4177.8172.100114.2T1041E1039-T1041 WeakPolarHBondContact OE1-CB 3.17Å; E1039-T1041 WeakPolarHBondContact OE1-CG2 3.32Å; E1039-T1041 PolarHBondContact OE1-OG1 3.04Å
1040R32.5Very low35.7Very low240 Ų240160.6 Ų160.691%0.90681%0.806SS**  trans-140.699.9154.3-167.1170-174.9157.72.6112.1
1041T34.8Very low36.5Very low113 Ų113160.5 Ų160.569%0.69380%0.804SS**  trans-74.1130.5-173.6-9.40000112.9E1039E1039-T1041 WeakPolarHBondContact OE1-CB 3.17Å; E1039-T1041 WeakPolarHBondContact OE1-CG2 3.32Å; E1039-T1041 PolarHBondContact OE1-OG1 3.04Å
1042V38Very low37.1Very low124 Ų124162 Ų16275%0.75280%0.801SS**  trans-132.3128.2163.9-179.30000108
1043A38.9Very low37.8Very low87 Ų87161.6 Ų161.672%0.71980%0.801SS**  trans-73.5129-175.800000111.2W1045A1043-W1045 VanDerWaalsContact C-N 3.31Å; A1043-W1045 PolarHBondContact O-N 3.44Å; A1043-W1045 VanDerWaalsContact O-N 3.16Å
1044P42.5Very low37.8Very low107 Ų107164 Ų16470%0.69580%0.801SS**SBendtrans-75.9-2.1-167.2-20.133.6000117.3
1045W44.9Very low38.8Very low228 Ų228165 Ų16586%0.86481%0.807SS**  trans-140.6132.3-168.1-53.5110.3000114A1043A1043-W1045 VanDerWaalsContact C-N 3.31Å; A1043-W1045 PolarHBondContact O-N 3.44Å; A1043-W1045 VanDerWaalsContact O-N 3.16Å
1046E48.8Very low39.5Very low187 Ų187161 Ų16187%0.87480%0.801SS**PPolyproline II helixtrans-76.9143.8170.9-166.3174.3-132.900111
1047R37.8Very low40.1Very low237 Ų237160 Ų16089%0.89480%0.804SS**PPolyproline II helixtrans-76127.5-175.5-71.2-173.4176.1-171.1-0.4111.6
1048R45Very low40.7Very low231 Ų231156.6 Ų156.687%0.87280%0.802SS**PPolyproline II helixtrans-86.8132.4173.8-65.5-179.8176179.1-1.7111.1
1049N42.5Very low40.9Very low159 Ų159157.7 Ų157.785%0.8581%0.807SS**PPolyproline II helixtrans-90.5147.8166.9-70.7-5.7000110.4
1050F35.9Very low41.6Very low197 Ų197155.4 Ų155.486%0.86481%0.805SS**PPolyproline II helixtrans-90.8143.5174-76.4-97.5000110.9
1051P43Very low41.5Very low124 Ų124153 Ų15381%0.80580%0.804SS**PPolyproline II helixtrans-70.8129.5167.5-13.128.7000110.7
1052L41.1Very low41.3Very low153 Ų153152.2 Ų152.280%0.80180%0.803SS**PPolyproline II helixtrans-91.5155.9160.7-74.7169000109.6
1053P49.9Very low40.9Very low123 Ų123153.9 Ų153.980%0.79981%0.808SS**SBendtrans-77.1-23.7-170.5-17.733.4000115.6
1054E38.1Very low40.6Very low174 Ų174158.2 Ų158.281%0.81381%0.813SS**  trans-145.7142-173.8-136.794.9-142.600108.6
1055D45.7Very low40.5Very low157 Ų157158 Ų15884%0.8481%0.812SS**  trans-116.8126.5179.3-151.416.2000108.1
1056P43.1Very low39.7Very low115 Ų115155 Ų15575%0.74781%0.811SS**PPolyproline II helixtrans-71.3137.8-171.828-34.2000112.1
1057A42.6Very low38.9Very low94 Ų94157.2 Ų157.278%0.77781%0.812SS**PPolyproline II helixtrans-66.1138-179.900000112
1058P43.6Very low39Very low125 Ų125151.5 Ų151.581%0.81281%0.805SS**PPolyproline II helixtrans-79140.2178.431.3-34.4000112.5
1059E36.1Very low38.2Very low188 Ų188152.5 Ų152.588%0.87981%0.809SS**PPolyproline II helixtrans-72.2157.3167-73.3-105.9108.100111.4
1060P47.9Very low37.6Very low100 Ų100149.1 Ų149.165%0.64980%0.803SS**PPolyproline II helixtrans-97.2170.8-174.239.7-37.1000114.6
1061E32Very low37.3Very low190 Ų190152 Ų15289%0.88881%0.808SS**  trans71.9153.6169.8-45.6-167.3158.500115.7
1062S29.5Very low36.6Very low97 Ų97151.4 Ų151.468%0.67881%0.807SS**  cis-140.7149.86.257.70000114.6
1063D31.1Very low36Very low159 Ų159152 Ų15285%0.8581%0.809SS**  trans65.4155147.8-69.8-36.6000125.3
1064Q30.6Very low34.9Very low177 Ų177151.6 Ų151.683%0.82781%0.809SS**  trans-96.5177.4-175.2-61.1-174.116.500109.4
1065P41.4Very low34.4Very low102 Ų102146.5 Ų146.566%0.66280%0.804SS**  cis-156.5175.529.645.2-22.4000121.8
1066I29Very low33.5Very low167 Ų167145.1 Ų145.186%0.85680%0.804SS**  trans80135.1150.8-74.5154.1000120.3
1067R30.4Very low32.6Very low233 Ų233151.5 Ų151.588%0.87981%0.814SS**  trans-77.2-177.7176.6-78.5177.3168.7168.6-3.5112.7
1068P40.1Very low32Very low116 Ų116152.8 Ų152.875%0.75382%0.817SS**  cis-134171.3-2.539.3-23.4000115.7
1069R29.1Very low31.2Very low253 Ų253151.4 Ų151.496%0.95581%0.81SS**  172.3163.3114.1-160161.2-175.4112.9-2.3109.7
1070A29.7Very low31.2Very low87 Ų87146.6 Ų146.672%0.71980%0.802SS**  trans-116.9151.6-163.400000115.5
1071R30Very low30.3Very low257 Ų257152.7 Ų152.797%0.9781%0.814SS**  trans-163.5155.4130.5-107.6173-173.51752111.1
1072S26.9Very low30.4Very low113 Ų113147 Ų14779%0.7981%0.806SS**  trans-122.8139.1-168.8-40.60000112.4
1073I28.6Very low30.3Very low166 Ų166153 Ų15385%0.85181%0.814SS**  trans-150.2104.6154.3-52.7-177.4000104.9
1074S27.6Very low30.3Very low113 Ų113152.2 Ų152.279%0.7981%0.809SS**  60.27677.2-175.50000113
1075G27.2Very low30.1Very low68 Ų68150.7 Ų150.770%0.70181%0.806SS**  115.2164.288.500000109.3
1076C26.5Very low29.5Very low127 Ų127149.9 Ų149.986%0.85880%0.803SS**  cis-144154-5.3-72.20000109
1077R25.7Very low29.5Very low250 Ų250148.8 Ų148.894%0.94380%0.799SS**  trans-140.1153.5160.9-106.4-168.2-178.9-131.50.6112.1
1078S28.9Very low29.6Very low120 Ų120144.4 Ų144.484%0.83979%0.793SS**  trans-52.3151.5-176.4-35.10000115.8
1079S26.2Very low29.1Very low97 Ų97144.4 Ų144.468%0.67880%0.796SS**  -144.8145.4127.1-165.70000110.3
1080A37.6Very low29.2Very low86 Ų86141.2 Ų141.271%0.71179%0.792SS**  trans-83.9151.415800000109.4
1081Y28.3Very low29.3Very low229 Ų229145.2 Ų145.290%0.89880%0.8SS**  trans-157.6168.8151.4-86.3-63.5000107.9
1082G33.6Very low29.6Very low69 Ų69138.7 Ų138.771%0.71179%0.791SS**  trans-160-172.8174.500000111.8
1083R27.4Very low29.8Very low225 Ų225139 Ų13985%0.84979%0.791SS**  trans96.3140.4-175.8-164.9-135.6-75.4-106.22.5113.8
1084L31.2Very low29.9Very low141 Ų141138 Ų13874%0.73879%0.788SS**  trans71.6151.2174-58.3175.9000115.3
1085D27.1Very low30.2Very low145 Ų145140 Ų14078%0.77579%0.79SS**  cis-159.3-170.2-35.3-142.6-38.9000108.6
1086S29.4Very low30.7Very low86 Ų86144 Ų14460%0.60180%0.795SS**  trans-20.4145.4172.7-120.50000121.8
1087D28.3Very low31.1Very low143 Ų143145.3 Ų145.377%0.76579%0.794SS**  trans73.2121.4142-60.7-47.8000123.4
1088D31.3Very low31.4Very low142 Ų142136.4 Ų136.476%0.75978%0.779SS**  47.9114.9116.8-148.3-60.3000121.2
1089S30.2Very low31.7Very low115 Ų115134.2 Ų134.280%0.80478%0.776SS**  trans-171.1141.3133.4-78.70000111.2
1090E31.3Very low32.8Very low187 Ų187135 Ų13587%0.87478%0.779SS**PPolyproline II helixtrans-86.8171.6176.6-63.4-169127.100113.5
1091L32.1Very low32.6Very low170 Ų170139.4 Ų139.489%0.8978%0.782SS**PPolyproline II helixtrans-72.9127.3172.4-73.5159.7000111.1
1092P35.2Very low33Very low121 Ų121135.5 Ų135.579%0.78678%0.776SS**PPolyproline II helixtrans-84.9131.8160.633-29.7000110.5
1093C31.1Very low33Very low118 Ų118142.8 Ų142.880%0.79778%0.782SS**PPolyproline II helixtrans-100.8162.1148.8-67.90000108.3
1094D31.9Very low33.2Very low145 Ų145136 Ų13678%0.77577%0.774SS**PPolyproline II helixtrans-57.3156.7177.1-42.4-96.3000111.2
1095D34.5Very low33.4Very low157 Ų157134.3 Ų134.384%0.8477%0.773SS**  cis-160.1160.846.2-110-54.2000114.8
1096D36.1Very low33.8Very low150 Ų150131.8 Ų131.880%0.80277%0.768SS**  trans33.9146.8153.9-140.3-142000127.4
1097D35.6Very low34.2Very low156 Ų156136.7 Ų136.783%0.83478%0.781SS**  trans84.2147.5154.9-155.127.8000122.1
1098G33.1Very low34.6Very low62 Ų62144.8 Ų144.864%0.63980%0.8SS**  trans104.755.8158.100000118.9
1099G34.2Very low34.8Very low74 Ų74145 Ų14576%0.76380%0.802SS**  trans-73.5-172.3160.400000113.1
1100P48.8Very low35Very low114 Ų114146.5 Ų146.574%0.7480%0.802SS**  cis-140.8-162-1.137.4-15.3000114.2
1101K34.6Very low35.2Very low179 Ų179144.3 Ų144.378%0.77880%0.798SS**  trans101.4124.4149.3-81.6166.9-178.1170.20121.3
1102L35.4Very low35.4Very low147 Ų147142.8 Ų142.877%0.7779%0.793SS**  trans71.4148.4143.6-61.4165.3000118.2
1103R33.3Very low35.4Very low222 Ų222144.1 Ų144.184%0.83879%0.793SS**  cis-176.3144.7-33.3-140.8-169.8-171-171.52.6106.8
1104A32.6Very low35.7Very low82 Ų82145.9 Ų145.968%0.67879%0.793SS**  trans68123.6159.200000115.6
1105S34.7Very low36Very low105 Ų105145.9 Ų145.973%0.73479%0.794SS**  79.1145.184.281.30000114.3
1106S35.9Very low36.1Very low93 Ų93145.1 Ų145.165%0.6579%0.791SS**  cis-172.8152.7-14.8-93.80000107.5
1107H37.3Very low36.1Very low189 Ų189144.7 Ų144.788%0.87579%0.79SS**  trans66.4155.7179.5-52.2-70.7000114.2
1108R37.8Very low36.1Very low313 Ų313143.6 Ų143.6100%1.18179%0.786SS**  cis-140.9015.7-168.7-174.9-165.9-1786.6112.5

Retrieved 1,108 of 1,108 residues in 280.7 ms (Link to these results)