A0A087YCF9_POEFO Loading...

Discs, large (Drosophila) homolog-associated protein 3

AlphaFold DB , UniProt , Accession A0A087YCF9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,100 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.7Very low31.5Very low241 Ų241155.4 Ų155.4100%1.18781%0.81SS**  01770-103.950.5166.500110.2
2K36.1Very low31.4Very low206 Ų206153.4 Ų153.490%0.89679%0.794SS**  trans-56.2152.3-175-57.1170.5178.9177.70113.9
3G33.9Very low31.4Very low75 Ų75153.5 Ų153.577%0.77379%0.788SS**  trans-178.3126.716800000110.3
4Y33.8Very low31.3Very low215 Ų215148.9 Ų148.984%0.84378%0.776SS**  trans-99.4169.8-164.8-96.5-97.4000114.9
5H32.8Very low31.4Very low162 Ų162147.1 Ų147.175%0.7578%0.782SS**  trans68.7115.9160.1-97.3-83.1000120
6V31.6Very low31.5Very low129 Ų129142.9 Ų142.978%0.78278%0.784SS**  trans-96.5129.2149.31720000107.4
7S29.9Very low31.7Very low102 Ų102139.3 Ų139.371%0.71379%0.787SS**  trans-127.9113.8156.4-64.20000106.3S9S7-S9 PolarHBondContact O-N 3.27Å
8R33.2Very low31.9Very low249 Ų249136.4 Ų136.494%0.9479%0.793SS**  trans-68.9127.7178.4-103.4-175171.3-174.2-2.9109.1
9S28.1Very low32Very low96 Ų96133.8 Ų133.867%0.67180%0.799SS**  trans-112.9169.2176.1-1690000110.2S7S7-S9 PolarHBondContact O-N 3.27Å
10M29.9Very low32.1Very low135 Ų135131.2 Ų131.267%0.66580%0.801SS**  trans69121177.2-48.7-53.4-71.300114.7Q12M10-Q12 HydrophobicContact CE-CG 4.26Å
11S27.1Very low32.1Very low99 Ų99128.5 Ų128.569%0.69280%0.799SS**  cis79149.219.9-156.60000116.3
12Q31Very low33.1Very low132 Ų132123.3 Ų123.362%0.61778%0.784SS**  trans74.3152.4175.2-46.5-16315.900113.9M10M10-Q12 HydrophobicContact CE-CG 4.26Å
13H31.6Very low32.6Very low154 Ų154119.4 Ų119.471%0.71378%0.781SS**  cis-132.213327.3-80.9-80.8000113.1
14S29.9Very low32.7Very low89 Ų89124.6 Ų124.662%0.62279%0.785SS**  79.5157.696.4-47.80000112.9
15S32.4Very low32.3Very low123 Ų123120.5 Ų120.586%0.8679%0.786SS**  cis-151.6171.515.9-38.20000109.4
16G33.2Very low32.7Very low79 Ų79118.9 Ų118.981%0.81479%0.788SS**  trans179.8-15.2169.400000123.2
17G34.1Very low33.4Very low82 Ų82118 Ų11885%0.84579%0.785SS**  trans71.4-171.417500000115.9
18G35.6Very low33.3Very low87 Ų87119.5 Ų119.590%0.89779%0.785SS**  trans86.9102.3-170.900000112.4
19G34.3Very low33.1Very low88 Ų88114.9 Ų114.991%0.90778%0.779SS**  trans-103.6174.6173.400000112.2
20G34.4Very low33.3Very low81 Ų81116.2 Ų116.284%0.83579%0.787SS**  trans147.7116.5176.500000111.2
21G32Very low33.4Very low74 Ų74117.2 Ų117.276%0.76380%0.795SS**  trans-82162.7171.900000111.9
22P49.6Very low33.4Very low132 Ų132115.5 Ų115.586%0.85779%0.793SS**  trans-88.9143.3-17534.8-34.6000113.3
23C27.2Very low34.3Very low125 Ų125115.4 Ų115.485%0.84580%0.804SS**  trans-159.6152.2155.2450000111.9
24H35.2Very low34.2Very low183 Ų183111.8 Ų111.885%0.84781%0.808SS**  trans-71.1154.2160.5-77.6-121.6000109.9
25C25.1Very low34.2Very low129 Ų129117.7 Ų117.787%0.87282%0.817SS**  -177152.3115.3-97.30000112.5
26T41.7Very low34.1Very low128 Ų128116.4 Ų116.479%0.78580%0.8SS**  trans-78.2167.9157.6520000109.5
27P45.1Very low33.9Very low110 Ų110121.7 Ų121.771%0.71480%0.797SS**  -153.5-16288.929.6-3.6000115.1
28D28.8Very low33.9Very low135 Ų135126.6 Ų126.672%0.72279%0.791SS**  trans84.682.9158.6-61.5-60.4000119.9
29D28.9Very low33.6Very low151 Ų151130.1 Ų130.181%0.80778%0.784SS**  4.6143.5116.2-62.3-109.1000119.7
30C32.3Very low33.3Very low124 Ų124129.1 Ų129.184%0.83877%0.773SS**  trans-157.5119.4148.8-112.60000111.4
31D31.7Very low33.1Very low157 Ų157136.7 Ų136.784%0.8478%0.777SS**  trans47.5143.4154.3-89.2-66.6000124.8
32G26.7Very low32.9Very low63 Ų63137.1 Ų137.165%0.64977%0.768SS**  trans-104.7-132.5151.300000109.3
33P49.7Very low31.9Very low130 Ų130138 Ų13884%0.84477%0.766SS**  cis-130.5165.7-29.939.4-25.9000113
34G30.1Very low32.1Very low78 Ų78134.6 Ų134.680%0.80475%0.752SS**  trans81.8-176.6168.500000115.7
35R30.2Very low32.1Very low212 Ų212134.4 Ų134.480%0.875%0.751SS**  cis-156.9159.6-3-147.3-177179.2-101.14.5110.5
36D29.8Very low32.4Very low96 Ų96136.9 Ų136.951%0.51374%0.744SS.*  trans70.7133.2155.8-59.9-43.6000123.5
37Y30.1Very low31.9Very low190 Ų190140.2 Ų140.275%0.74574%0.743SS**  19.1156.7126.4-62.7-94.1000121.6
38Y33.1Very low31Very low185 Ų185140.4 Ų140.473%0.72575%0.747SS**  cis-150.5-169.234-135.5-85.6000113.6
39H29.9Very low31Very low161 Ų161137.5 Ų137.575%0.74575%0.749SS**  trans-47.8167.2-179.4-63.3-6.6000117.6
40G28.3Very low31Very low67 Ų67134 Ų13469%0.69175%0.749SS**  cis123.7166.51.900000114.4
41R30.4Very low31.7Very low240 Ų240133.5 Ų133.591%0.90674%0.744SS**  trans71.7136.2-179.1-88.8-168.7161.6-161.1-7.9115.4
42S28Very low31.8Very low84 Ų84131.5 Ų131.559%0.58774%0.738SS**  cis105.3149.545.7-84.70000111
43D28.5Very low31.9Very low150 Ų150136.9 Ų136.980%0.80275%0.746SS**  cis-158.5173.3-10-78.3-28000106.4
44G30.8Very low30.8Very low54 Ų54134.5 Ų134.556%0.55774%0.737SS**  cis156.6139.3-6.200000112.8
45H34.3Very low30.8Very low178 Ų178138.9 Ų138.982%0.82474%0.741SS**  trans72155.2170.1-47.5-74.2000117.1
46Y31.8Very low30.7Very low182 Ų182132.3 Ų132.371%0.71473%0.732SS**  cis-166.5160.748.5-114.7-73.2000116.1
47Y32.1Very low30.5Very low198 Ų198134.7 Ų134.778%0.77674%0.744SS**  trans59.6148.7158.1-74.8-57000120.1
48S26.4Very low30.3Very low113 Ų113131.9 Ų131.979%0.7974%0.738SS**  cis-148.1168.1-7.4-82.10000106.6
49G27.8Very low30Very low74 Ų74131.8 Ų131.876%0.76374%0.736SS**  cis172167.410.900000107.9
50G28.2Very low29.9Very low79 Ų79130.4 Ų130.481%0.81473%0.73SS**  trans-75.4-168.3-173.400000116.3
51P47.1Very low29.8Very low112 Ų112134.9 Ų134.973%0.72773%0.733SS**  cis-139.1149.733.247.9-31.1000115.5
52T34.3Very low29.7Very low116 Ų116129.2 Ų129.271%0.71273%0.729SS**  94.2130.595.555.70000118.5
53E28.6Very low29.7Very low175 Ų175128.6 Ų128.682%0.81874%0.736SS**  trans61.2147.6140.3-63.7178.8169.300120.6
54A27.3Very low29.7Very low81 Ų81127.8 Ų127.867%0.66974%0.737SS**  cis122159.51.800000113.1
55L29.9Very low29.8Very low169 Ų169135 Ų13589%0.88575%0.754SS**  trans72.3154.2170.4-52.7-176.5000116.8
56A27.7Very low30.2Very low74 Ų74131.9 Ų131.961%0.61275%0.749SS**  cis-168.8166.6-22.900000113.3
57L27Very low30Very low147 Ų147134.3 Ų134.377%0.7776%0.757SS**  trans61.2128.2145.9-9978.7000123.3
58E24.8Very low29.9Very low130 Ų130129.4 Ų129.461%0.60775%0.752SS**  56122.7120.1-123.2-168.2-142.300119.3
59R26.6Very low30.3Very low184 Ų184132.8 Ų132.869%0.69475%0.754SS**  -173.8151.669-88.9-163.8174.8-129.4-24.4115.1
60H28.4Very low31.1Very low131 Ų131134.9 Ų134.961%0.60676%0.755SS**  trans62103.5138.4-74.9-122.1000122.8
61H26.9Very low30.9Very low162 Ų162136 Ų13675%0.7575%0.75SS**  62.9145.9110.7-73.4-77.6000123.3
62S26.8Very low30.1Very low120 Ų120140 Ų14084%0.83976%0.759SS**  trans77.3129.3155.374.30000118.1
63G28Very low29.8Very low71 Ų71142.9 Ų142.973%0.73276%0.764SS**  trans-129.7159.4157.800000108.9
64T28.2Very low30.5Very low134 Ų134140.4 Ų140.482%0.82276%0.763SS**  trans-158.4133.7172.1-73.50000108.5
65F33.7Very low30.6Very low206 Ų206140.3 Ų140.390%0.90476%0.762SS**  trans-85.8137.9161.2-76.9-84.1000108.9
66P41.8Very low30.6Very low112 Ų112139.5 Ų139.573%0.72776%0.758SS**  -154.4150.9107.836.3-16.9000117.9
67R29.5Very low30.7Very low232 Ų232144.2 Ų144.288%0.87577%0.767SS**  trans32.4121.6135-111.6179-176.7173.5-0.3122.4
68S28.7Very low30.6Very low95 Ų95141.8 Ų141.866%0.66476%0.763SS**  trans59.8122.4130.860.20000123.4
69H35.9Very low30.8Very low184 Ų184144.6 Ų144.685%0.85277%0.773SS**  trans23148.4133.1-67.3-57.4000121.5
70P43.1Very low30.7Very low119 Ų119142.1 Ų142.177%0.77377%0.774SS**  cis-153.4177.243.444.1-23.8000120.2
71S25.5Very low30.6Very low102 Ų102140.3 Ų140.371%0.71378%0.776SS**  trans62.4123.1145.8-160.20000122.8
72Q28.6Very low30.6Very low195 Ų195137.6 Ų137.691%0.91177%0.774SS**  trans-143.8144.5134.4-73.6-160.7-4.300111.2
73H28.6Very low30.7Very low178 Ų178139.6 Ų139.682%0.82477%0.77SS**  trans-140.1143.6169.3-102.4-65.6000106.7
74P43.9Very low30.6Very low123 Ų123144.1 Ų144.180%0.79977%0.772SS**  -145.5-173.49225.1-2000112.4
75A29.2Very low30.6Very low78 Ų78142.9 Ų142.965%0.64577%0.768SS**  cis-164.1125.6-37.200000107
76L29.5Very low30.3Very low153 Ų153140.8 Ų140.880%0.80177%0.765SS**  84.6140.2104.5-74.7175.7000118.9
77Q29.2Very low29.6Very low172 Ų172141.1 Ų141.180%0.80477%0.77SS**  trans91.4118.5136.7-91.1173.43000123.3
78S26.1Very low29.5Very low97 Ų97135.6 Ų135.668%0.67877%0.767SS**  119.8107.9110.4-165.60000120.2
79F27.8Very low29.5Very low188 Ų188134.1 Ų134.183%0.82577%0.767SS**  trans61.1136.5136.2-82-94.4000124.9
80D25.4Very low29.3Very low133 Ų133134.5 Ų134.571%0.71177%0.769SS**  trans102.1141.9131-111.9-56.4000125.4
81S25.4Very low28.5Very low93 Ų93132 Ų13265%0.6576%0.764SS**  trans70.3105.9140.9-79.70000124.9
82C27.8Very low28.7Very low104 Ų104130.7 Ų130.770%0.70377%0.766SS**  85.5144.6108.3-97.30000124.9
83E27.9Very low28.8Very low162 Ų162130.6 Ų130.676%0.75776%0.763SS**  trans56156.4166.9-37.9-58.1101.200118.3
84E26.9Very low28.9Very low166 Ų166129.5 Ų129.578%0.77676%0.76SS**  cis-151.2154.3-9.8-134.3-169.7137.300105.2
85C27.7Very low28.4Very low108 Ų108130 Ų13073%0.7375%0.752SS**  cis-155.2165.844.6-73.10000111.7
86L28.2Very low28.6Very low163 Ų163136.3 Ų136.385%0.85376%0.759SS**  trans-113.3162.7175.2-74.4171.3000113.5
87S25.8Very low29.2Very low118 Ų118136.5 Ų136.583%0.82576%0.759SS**  trans64.9119.8151.2-630000120.7
88S27.7Very low29.5Very low117 Ų117133.6 Ų133.682%0.81876%0.755SS**  -154148.2117-168.40000110.8
89G30.1Very low30Very low63 Ų63134 Ų13465%0.64976%0.755SS**  trans-156.5124.4-178.200000113.1
90H30.2Very low30.1Very low193 Ų193131.9 Ų131.989%0.89475%0.753SS**  trans-152.7162.1176.3-77.4-51.1000108.9
91G26.5Very low30.6Very low66 Ų66132.4 Ų132.468%0.6876%0.755SS**  cis168.717.60.700000115.4
92G29.6Very low31.2Very low74 Ų74136.7 Ų136.776%0.76377%0.767SS**  trans73.7-167172.600000116.8
93K30.7Very low31.8Very low193 Ų193137.9 Ų137.984%0.83977%0.766SS**  trans79.7100.4177.1-54.5171.9-173.7171.90117.5
94M30.4Very low32.2Very low156 Ų156138 Ų13877%0.76877%0.767SS**  31.4130.2124.4-57.9165.766.700119.5
95H35Very low32.6Very low134 Ų134139.2 Ų139.262%0.6277%0.77SS**  -171.9135.1103.3-100.5-60.6000116
96R32.7Very low33Very low209 Ų209141.4 Ų141.479%0.78977%0.769SS**  trans40.9109.8144.3-69.1173.4-179.3129.3-3120.5
97I41.8Very low33.1Very low157 Ų157142.4 Ų142.481%0.80577%0.767SS**  trans-72.2141.5132.2-63.4164000108.6
98P35.1Very low33.2Very low112 Ų112145.8 Ų145.873%0.72777%0.77SS**  trans-104.8147.8147.134.7-28.5000111.2
99P37.6Very low33.6Very low104 Ų104146.1 Ų146.168%0.67577%0.766SS**  trans-113.3-165-158.443.6-35.1000114.6
100N29.9Very low34Very low145 Ų145147.6 Ų147.678%0.77576%0.764SS**  trans75.690.3162.6-61.64.9000118.2
101L36.5Very low33.9Very low144 Ų144147.4 Ų147.475%0.75476%0.761SS**SBendtrans-148.237.9142.4-137.5168.9000112.4
102M37.5Very low34.5Very low182 Ų182152 Ų15290%0.89777%0.765SS**SBendtrans-138.939.4170.6-88.1-66.8104.100111.8
103D40.7Very low34.7Very low130 Ų130153.8 Ų153.870%0.69576%0.763SS**  trans-143.784.6158.4-175.422.2000109.6
104Q35.8Very low34.8Very low164 Ų164151.8 Ų151.877%0.76676%0.761SS**SBendtrans-152.614.8171-143.5-178.75.900114.3
105F35.4Very low34.9Very low191 Ų191147.3 Ų147.384%0.83876%0.756SS**  trans-124.317.4175.8-80.8-75.6000113.9K107F105-K107 PolarHBondContact O-N 3.13Å
106E36.6Very low34.7Very low155 Ų155150 Ų15072%0.72477%0.766SS**  trans-72.776.5156.2-167.3178.2-137.200110.2
107K29.4Very low34.7Very low183 Ų183148.4 Ų148.480%0.79677%0.767SS**  trans-179.3111.7164-93.6137.2-170.6167.40105.2F105F105-K107 PolarHBondContact O-N 3.13Å
108Q28.2Very low34.5Very low190 Ų190146.3 Ų146.389%0.88876%0.762SS**  cis-139.5142.223.1-61.1167.32.700111.9
109V35.9Very low34.3Very low123 Ų123149.5 Ų149.575%0.74577%0.771SS**  trans-101.4167.8169.5-154.50000106.2
110P39.3Very low34.1Very low94 Ų94153.2 Ų153.261%0.6178%0.78SS**  cis-122.9-172.69.215.614.2000113
111F27.5Very low34.3Very low189 Ų189156.8 Ų156.883%0.82978%0.784SS**  cis-154.5154.939.6-84.8-93000114.3
112H38Very low34Very low163 Ų163159.4 Ų159.476%0.75579%0.793SS**  trans-138.1128.6153.4-154-85.3000108.3D114H112-D114 IonicContact ND1-OD1 3.75Å
113P34.8Very low33.9Very low111 Ų111161 Ų16172%0.72179%0.788SS**  trans-114.7130.5165.134.6-24.3000111.2
114D33.7Very low33.3Very low151 Ų151161.9 Ų161.981%0.80780%0.799SS**  trans-81.4155.4170.6-58-51.1000111.4H112H112-D114 IonicContact ND1-OD1 3.75Å
115G31.8Very low33.1Very low63 Ų63158.5 Ų158.565%0.64980%0.799SS**  trans13891145.900000119.4
116F31.5Very low33Very low191 Ų191155.4 Ų155.484%0.83880%0.801SS**  trans54.6152.6139.9-68.7-87.7000122.7
117H32Very low32.8Very low174 Ų174151.7 Ų151.781%0.80680%0.804SS**  trans73.9134.7170.3-50.7100.9000116.2
118T37.5Very low33.2Very low114 Ų114146.7 Ų146.770%0.69981%0.805SS**  cis-143.8128.6-17.7420000108.1Q120T118-Q120 PolarHBondContact O-N 3.37Å
119L30.6Very low33.5Very low178 Ų178142.5 Ų142.593%0.93280%0.803SS**  trans-85.5108.5164.9-75.7177.5000109.7
120Q33.3Very low33.3Very low182 Ų182146.1 Ų146.185%0.8581%0.811SS**  trans-65.5142.3166-71.9179.9-53.700110T118 Q122T118-Q120 PolarHBondContact O-N 3.37Å; Q120-Q122 PolarHBondContact O-N 3.44Å
121Y34.8Very low33.3Very low220 Ų220149.5 Ų149.586%0.86382%0.819SS**  trans-69.2116.7170.6-85.5-98.9000111
122Q30.7Very low34.1Very low200 Ų200151.7 Ų151.794%0.93582%0.821SS**  trans-144.3160.3140.8-125.4163.15.200111.3Q120Q120-Q122 PolarHBondContact O-N 3.44Å
123R33.7Very low34.1Very low214 Ų214149.3 Ų149.381%0.80882%0.823SS**  trans-137.4124.8-140.2-173.7-162.5-54.4-133.62.4112.5
124T28.3Very low34.6Very low150 Ų150149.9 Ų149.992%0.9282%0.816SS**  trans-130.8153.8155.342.80000108.8
125A32Very low35.4Very low92 Ų92146.1 Ų146.176%0.7680%0.802SS**  trans-129.1175.4-170.800000109.3
126S33.3Very low36.9Very low126 Ų126147.6 Ų147.688%0.88180%0.8SS**  cis-157.31663.838.90000109
127G33.2Very low38.2Very low77 Ų77141.1 Ų141.179%0.79478%0.778SS**  trans-162.2154.6165.800000112
128G37.8Very low40Very low78 Ų78140.8 Ų140.880%0.80477%0.77SS**SBendtrans79.4110.7166.900000116.8
129A34.5Very low41.7Very low103 Ų103139.6 Ų139.685%0.85176%0.759SS**  trans19.2119.2153.200000120.6
130E31.1Very low43.8Very low198 Ų198138.8 Ų138.893%0.92574%0.743SS**  -162.3175.6119.4-121.2-168.2161.700113.2
131H39.4Very low45.8Very low165 Ų165136.4 Ų136.476%0.76473%0.732SS**  trans-68.4165.9172.9-106.3-125000112.9
132R44.8Very low48.1Very low235 Ų235131.7 Ų131.789%0.88772%0.721SS**  trans64.689.5164.2-66.4176.4173.4108.1-0.9117.5
133S37.2Very low50.4Low114 Ų114125.5 Ų125.580%0.79770%0.697SS**  trans-144.767.2146.660.10000112.2S135S133-S135 PolarHBondContact O-N 3.14Å
134E45.6Very low52.3Low122 Ų122118.4 Ų118.457%0.5768%0.675SS**  trans-64.5107.8164.3-73.8-147.610500109.6R138E134-R138 VanDerWaalsContact OE1-CD 3.27Å; E134-R138 WeakPolarHBondContact OE1-CD 3.46Å; E134-R138 IonicContact OE1-CZ 2.8Å; E134-R138 IonicContact OE1-NE 2.78Å; E134-R138 IonicContact OE1-NH1 3.63Å; E134-R138 PolarHBondContact OE1-NH1 2.66Å
135S50.8Low54.7Low73 Ų73114.3 Ų114.351%0.5165%0.652SS.*  trans-50133.8-176.7-63.20000111.8S133 S137 R138 I139S133-S135 PolarHBondContact O-N 3.14Å; S135-S137 CarbonylContact O-C 3.58Å; S135-S137 PolarHBondContact O-N 2.85Å; S135-R138 WeakPolarHBondContact O-CA 3.31Å; S135-R138 WeakPolarHBondContact O-CB 3.39Å; S135-R138 PolarHBondContact O-N 3.23Å; S135-I139 PolarHBondContact O-N 2.83Å
136P63.5Low57.1Low94 Ų94112.9 Ų112.961%0.6163%0.634SS**Hα-helixtrans-57-16.4175.7-28.635.9000114.4R140P136-R140 WeakPolarHBondContact O-CB 3.35Å; P136-R140 VanDerWaalsContact O-CG 3.25Å; P136-R140 WeakPolarHBondContact O-CG 3.43Å; P136-R140 PolarHBondContact O-N 3.34Å; P136-R140 VanDerWaalsContact O-N 3.1Å; P136-R140 PolarHBondContact O-NE 3.25Å
137S57.7Low59.1Low54 Ų54112.1 Ų112.138%0.37862%0.616SS.*Hα-helixtrans-66.5-44.2166.5-53.80000112.6S135 I139 R140 H141S135-S137 CarbonylContact O-C 3.58Å; S135-S137 PolarHBondContact O-N 2.85Å; S137-I139 PolarHBondContact O-N 2.71Å; S137-R140 CarbonylContact O-C 3.59Å; S137-R140 PolarHBondContact O-N 2.94Å; S137-R140 VanDerWaalsContact O-N 3.17Å; S137-R140 PolarHBondContact OG-NH2 3.32Å; S137-H141 PolarHBondContact O-CD2 3.01Å; S137-H141 PolarHBondContact O-N 3.27Å
138R69.4Low60.8Low168 Ų168116.3 Ų116.363%0.63461%0.608SS**Hα-helixtrans-61.5-44.2177.7-156.2-172.1-150-169.77.2111.1E134 S135 R140 H141 L142E134-R138 VanDerWaalsContact OE1-CD 3.27Å; E134-R138 WeakPolarHBondContact OE1-CD 3.46Å; E134-R138 IonicContact OE1-CZ 2.8Å; E134-R138 IonicContact OE1-NE 2.78Å; E134-R138 IonicContact OE1-NH1 3.63Å; E134-R138 PolarHBondContact OE1-NH1 2.66Å; S135-R138 WeakPolarHBondContact O-CA 3.31Å; S135-R138 WeakPolarHBondContact O-CB 3.39Å; S135-R138 PolarHBondContact O-N 3.23Å; R138-R140 PolarHBondContact O-N 3.47Å; R138-H141 PolarHBondContact O-N 2.86Å; R138-L142 WeakPolarHBondContact O-CB 3.47Å; R138-L142 PolarHBondContact O-N 3.4Å
139I73.8Confident62.4Low89 Ų89118.1 Ų118.146%0.45660%0.599SS.*Hα-helixtrans-60.4-45.1173.9-60.6173.5000110.6S135 S137 H141 L142 V143S135-I139 PolarHBondContact O-N 2.83Å; S137-I139 PolarHBondContact O-N 2.71Å; I139-H141 PolarHBondContact O-N 2.71Å; I139-L142 PolarHBondContact O-N 3.35Å; I139-V143 HydrophobicContact CG2-CG2 4.43Å; I139-V143 WeakPolarHBondContact O-CB 3.32Å; I139-V143 VanDerWaalsContact O-CG2 3.29Å; I139-V143 WeakPolarHBondContact O-CG2 3.47Å; I139-V143 PolarHBondContact O-N 2.67Å
140R75.7Confident63.7Low161 Ų161119.7 Ų119.761%0.60859%0.587SS**Hα-helixtrans-64.9-36.9176.2-75.6175.6-64.5166.94.8113.3P136 S137 R138 N144P136-R140 WeakPolarHBondContact O-CB 3.35Å; P136-R140 VanDerWaalsContact O-CG 3.25Å; P136-R140 WeakPolarHBondContact O-CG 3.43Å; P136-R140 PolarHBondContact O-N 3.34Å; P136-R140 VanDerWaalsContact O-N 3.1Å; P136-R140 PolarHBondContact O-NE 3.25Å; S137-R140 CarbonylContact O-C 3.59Å; S137-R140 PolarHBondContact O-N 2.94Å; S137-R140 VanDerWaalsContact O-N 3.17Å; S137-R140 PolarHBondContact OG-NH2 3.32Å; R138-R140 PolarHBondContact O-N 3.47Å; R140-N144 WeakPolarHBondContact O-CB 3.43Å; R140-N144 PolarHBondContact O-N 2.91Å
141H75.1Confident64.9Low131 Ų131114.3 Ų114.361%0.60658%0.576SS**Hα-helixtrans-69.3-41174.2-74.6-66.6000111.7S137 R138 I139 N144 S145S137-H141 PolarHBondContact O-CD2 3.01Å; S137-H141 PolarHBondContact O-N 3.27Å; R138-H141 PolarHBondContact O-N 2.86Å; I139-H141 PolarHBondContact O-N 2.71Å; H141-N144 PolarHBondContact O-N 3.08Å; H141-S145 WeakPolarHBondContact O-CB 3.39Å; H141-S145 PolarHBondContact O-N 3.13Å; H141-S145 PolarHBondContact O-OG 2.78Å
142L82.6Confident65.2Low121 Ų121115.1 Ų115.163%0.63458%0.577SS**Hα-helixtrans-60.4-49.2173.6-164.375.6000110.6R138 I139 N144 S145 V146R138-L142 WeakPolarHBondContact O-CB 3.47Å; R138-L142 PolarHBondContact O-N 3.4Å; I139-L142 PolarHBondContact O-N 3.35Å; L142-N144 VanDerWaalsContact C-N 3.33Å; L142-N144 PolarHBondContact O-N 3.45Å; L142-S145 PolarHBondContact O-N 3.18Å; L142-V146 VanDerWaalsContact O-CB 3.31Å; L142-V146 WeakPolarHBondContact O-CB 3.42Å; L142-V146 VanDerWaalsContact O-CG2 3.23Å; L142-V146 WeakPolarHBondContact O-CG2 3.18Å; L142-V146 PolarHBondContact O-N 2.84Å
143V79.8Confident65.3Low71 Ų71105.6 Ų105.643%0.4355%0.546SS..Hα-helixtrans-59-41.4175.2168.20000111.7I139 V146 Q147I139-V143 HydrophobicContact CG2-CG2 4.43Å; I139-V143 WeakPolarHBondContact O-CB 3.32Å; I139-V143 VanDerWaalsContact O-CG2 3.29Å; I139-V143 WeakPolarHBondContact O-CG2 3.47Å; I139-V143 PolarHBondContact O-N 2.67Å; V143-V146 PolarHBondContact O-N 2.83Å; V143-Q147 HydrophobicContact CG1-CG 4.38Å; V143-Q147 VanDerWaalsContact O-CB 3.29Å; V143-Q147 WeakPolarHBondContact O-CB 3.35Å; V143-Q147 WeakPolarHBondContact O-CG 3.37Å; V143-Q147 PolarHBondContact O-N 3.12Å
144N73.3Confident65.7Low65 Ų65106.2 Ų106.235%0.34854%0.536SS..Hα-helixtrans-71.5-36.7179.6-151.1-87.5000112.5R140 H141 L142 Q147 R148R140-N144 WeakPolarHBondContact O-CB 3.43Å; R140-N144 PolarHBondContact O-N 2.91Å; H141-N144 PolarHBondContact O-N 3.08Å; L142-N144 VanDerWaalsContact C-N 3.33Å; L142-N144 PolarHBondContact O-N 3.45Å; N144-Q147 PolarHBondContact O-N 2.86Å; N144-R148 VanDerWaalsContact O-CG 3.28Å; N144-R148 WeakPolarHBondContact O-CG 3.27Å; N144-R148 PolarHBondContact O-N 3.33Å; N144-R148 PolarHBondContact OD1-NE 2.98Å; N144-R148 PolarHBondContact OD1-NH2 3Å
145S78.6Confident65.6Low64 Ų64105.1 Ų105.145%0.44854%0.542SS..Hα-helixtrans-68.1-41.3172.8-69.50000112H141 L142 R148 L149H141-S145 WeakPolarHBondContact O-CB 3.39Å; H141-S145 PolarHBondContact O-N 3.13Å; H141-S145 PolarHBondContact O-OG 2.78Å; L142-S145 PolarHBondContact O-N 3.18Å; S145-R148 PolarHBondContact O-N 2.94Å; S145-L149 PolarHBondContact O-N 2.9Å
146V81.6Confident65.4Low61 Ų61108.8 Ų108.837%0.3756%0.555SS.*Hα-helixtrans-63.5-41.8173.4168.20000110.9L142 V143 R148 L149 F150L142-V146 VanDerWaalsContact O-CB 3.31Å; L142-V146 WeakPolarHBondContact O-CB 3.42Å; L142-V146 VanDerWaalsContact O-CG2 3.23Å; L142-V146 WeakPolarHBondContact O-CG2 3.18Å; L142-V146 PolarHBondContact O-N 2.84Å; V143-V146 PolarHBondContact O-N 2.83Å; V146-R148 VanDerWaalsContact C-N 3.31Å; V146-R148 PolarHBondContact O-N 2.84Å; V146-L149 PolarHBondContact O-N 2.76Å; V146-F150 HydrophobicContact CG1-CD2 3.62Å; V146-F150 HydrophobicContact CG1-CE2 3.6Å; V146-F150 WeakPolarHBondContact O-CD2 3.48Å; V146-F150 PolarHBondContact O-N 2.83Å
147Q75.9Confident64.3Low110 Ų110111.6 Ų111.651%0.51456%0.56SS.*Hα-helixtrans-61.1-36.3172.4-78.2169.1-16.900112.6V143 N144 A151V143-Q147 HydrophobicContact CG1-CG 4.38Å; V143-Q147 VanDerWaalsContact O-CB 3.29Å; V143-Q147 WeakPolarHBondContact O-CB 3.35Å; V143-Q147 WeakPolarHBondContact O-CG 3.37Å; V143-Q147 PolarHBondContact O-N 3.12Å; N144-Q147 PolarHBondContact O-N 2.86Å; Q147-A151 WeakPolarHBondContact O-CB 3.4Å; Q147-A151 PolarHBondContact O-N 3.13Å
148R68.9Low63.1Low166 Ų166113.7 Ų113.763%0.62658%0.581SS**Hα-helixtrans-73.3-30.9174.7-69.7171.7-153.5-175.63.1113.2N144 S145 V146 K152N144-R148 VanDerWaalsContact O-CG 3.28Å; N144-R148 WeakPolarHBondContact O-CG 3.27Å; N144-R148 PolarHBondContact O-N 3.33Å; N144-R148 PolarHBondContact OD1-NE 2.98Å; N144-R148 PolarHBondContact OD1-NH2 3Å; S145-R148 PolarHBondContact O-N 2.94Å; V146-R148 VanDerWaalsContact C-N 3.31Å; V146-R148 PolarHBondContact O-N 2.84Å; R148-K152 WeakPolarHBondContact O-CB 3.27Å; R148-K152 PolarHBondContact O-N 3.39Å
149L70.9Confident61.5Low115 Ų115111.8 Ų111.860%0.60259%0.59SS**Hα-helixtrans-66.5-52.1170.7-78.2159.9000110.2S145 V146 A151 K152 S153S145-L149 PolarHBondContact O-N 2.9Å; V146-L149 PolarHBondContact O-N 2.76Å; L149-A151 VanDerWaalsContact C-N 3.29Å; L149-A151 PolarHBondContact O-N 2.67Å; L149-K152 CarbonylContact O-C 3.51Å; L149-K152 WeakPolarHBondContact O-CA 3.37Å; L149-K152 PolarHBondContact O-N 2.76Å; L149-S153 PolarHBondContact O-N 3.26Å; L149-S153 PolarHBondContact O-OG 3.39Å
150F62.2Low60.1Low137 Ų137114 Ų11460%0.60161%0.608SS**Hα-helixtrans-61.7-32.5175.9-81.5-66.3000113.7V146 K152V146-F150 HydrophobicContact CG1-CD2 3.62Å; V146-F150 HydrophobicContact CG1-CE2 3.6Å; V146-F150 WeakPolarHBondContact O-CD2 3.48Å; V146-F150 PolarHBondContact O-N 2.83Å; F150-K152 PolarHBondContact O-N 2.81Å
151A56.4Low57.9Low84 Ų84116.7 Ų116.769%0.69462%0.624SS**THydrogen-bonded Turntrans-73.1-8.1172.800000114Q147 L149Q147-A151 WeakPolarHBondContact O-CB 3.4Å; Q147-A151 PolarHBondContact O-N 3.13Å; L149-A151 VanDerWaalsContact C-N 3.29Å; L149-A151 PolarHBondContact O-N 2.67Å
152K46.2Very low55.8Low183 Ų183120.8 Ų120.880%0.79663%0.634SS**THydrogen-bonded Turntrans-116.6-11.4-179.4-156.1168.7-175.2-179.30113.4R148 L149 F150R148-K152 WeakPolarHBondContact O-CB 3.27Å; R148-K152 PolarHBondContact O-N 3.39Å; L149-K152 CarbonylContact O-C 3.51Å; L149-K152 WeakPolarHBondContact O-CA 3.37Å; L149-K152 PolarHBondContact O-N 2.76Å; F150-K152 PolarHBondContact O-N 2.81Å
153S47Very low53.1Low34 Ų34123.1 Ų123.124%0.23864%0.642CS.*SBendtrans-105.438173.170.70000112.4L149 E292L149-S153 PolarHBondContact O-N 3.26Å; L149-S153 PolarHBondContact O-OG 3.39Å; S153-E292 VanDerWaalsContact C-CD 3.46Å; S153-E292 VanDerWaalsContact O-CD 3.29Å
154H44.2Very low50.7Low128 Ų128129.3 Ų129.359%0.59366%0.659SS**SBendtrans-141.729-176.7-136.7-37.8000112.6E292H154-E292 WeakPolarHBondContact CA-OE1 3.43Å; H154-E292 VanDerWaalsContact CA-OE2 3.31Å; H154-E292 WeakPolarHBondContact CA-OE2 3.36Å; H154-E292 PolarHBondContact N-OE1 3.45Å
155S44.2Very low48.5Very low98 Ų98133.8 Ų133.869%0.68568%0.683SS**SBendtrans-134.3-7.4-169.7-172.10000114.2E292S155-E292 PolarHBondContact N-OE1 2.85Å; S155-E292 PolarHBondContact N-OE2 3.06Å
156L46.3Very low46.1Very low151 Ų151134.1 Ų134.179%0.79170%0.697SS**SBendtrans-145.436.4-173.7-76.4-179000114.9E292L156-E292 PolarHBondContact N-OE1 2.89Å
157E39.9Very low43.5Very low152 Ų152140 Ų14071%0.7172%0.722SS**  trans-156.7106.2150.2-116.7155.5-150.800114.6E292E157-E292 HydrophobicContact CB-CB 3.79Å; E157-E292 HydrophobicContact CB-CG 3.88Å; E157-E292 VanDerWaalsContact N-CD 3.3Å; E157-E292 PolarHBondContact N-OE2 3.09Å
158A32.4Very low41.2Very low98 Ų98146.4 Ų146.481%0.8174%0.742SS**  trans-149.5146.4170.600000109.6
159P35.8Very low39.3Very low129 Ų129141.9 Ų141.984%0.83875%0.747SS**  -119.6170.5-115.738.8-32000116.3
160T44.8Very low37.2Very low136 Ų136140.5 Ų140.583%0.83476%0.761SS**  trans-73.2141.5177.952.70000113
161K30.9Very low35.8Very low217 Ų217137.4 Ų137.494%0.94377%0.767SS**  trans-155.1164.8150.3-118.5168.4-172.4178.50113.1
162R31Very low34.5Very low216 Ų216140.4 Ų140.482%0.81577%0.767SS**  trans-101.1147.1-160.5-171.9-155.7-1631808.4110.2
163E25.4Very low33.6Very low170 Ų170140.6 Ų140.679%0.79476%0.764SS**  166.7-173.3121.8-87.6172.6-163.500113.8
164Y29.2Very low32.9Very low202 Ų202151.1 Ų151.179%0.79280%0.798SS**  trans-144122-140.5175.8-80.1000112.3
165N27.4Very low32.4Very low158 Ų158148.5 Ų148.585%0.84581%0.806SS**  trans161.1169.1149.2-95.5-54000111.5
166G27.5Very low31.8Very low72 Ų72149.5 Ų149.574%0.74280%0.804SS**  trans140.739.4154.900000120.4R168G166-R168 PolarHBondContact O-N 3.42Å
167M26.2Very low31.2Very low184 Ų184151.7 Ų151.791%0.90680%0.801SS**  trans-77.2105.5173.1173.657.9168.800112.5
168R28.2Very low30.8Very low244 Ų244148.1 Ų148.192%0.92181%0.805SS**  trans179143.5154.4-101165.1-165.3-113.15.4109.1G166G166-R168 PolarHBondContact O-N 3.42Å
169G28.5Very low30.8Very low72 Ų72147.7 Ų147.774%0.74281%0.81SS**  cis146.7106.3-6.700000112.1
170G28.6Very low30.4Very low86 Ų86145.3 Ų145.389%0.88781%0.809SS**  trans87.2139.4-178.100000113.8
171G31.2Very low29.8Very low71 Ų71146.9 Ų146.973%0.73281%0.807SS**  cis171.7-156.8-5.100000113.7
172E29Very low29.7Very low147 Ų147147.2 Ų147.269%0.68780%0.802SS**  trans85.863.1146.6-46-132.6145.800121.6
173Y28.5Very low29.8Very low188 Ų188142.8 Ų142.874%0.73780%0.804SS**  trans66.8151.2130.4-27-59.4000123.4
174R32.4Very low30Very low254 Ų254137.9 Ų137.996%0.95880%0.799SS**  trans66.9132.3168.5-57.2-177.7177.8-169.90.1116.1
175G32.7Very low30.3Very low73 Ų73131.4 Ų131.475%0.75379%0.794SS**  cis125.5127.7-9.700000114.1
176D31.2Very low30.4Very low119 Ų119131.6 Ų131.664%0.63679%0.79SS**  trans57.1112.6168-15935.7000114.8
177R33.5Very low30.5Very low198 Ų198136.4 Ų136.475%0.74779%0.793SS**  -171.5158.470.8-85.2178.6-178.2167.24.8113.9
178G33.2Very low30.7Very low77 Ų77132.2 Ų132.279%0.79478%0.778SS**  58.1109.7127.500000120
179G31.1Very low30.8Very low88 Ų88127.6 Ų127.691%0.90777%0.766SS**  trans-90.1-176.1160.400000113.1
180G28.8Very low30.8Very low79 Ų79133.7 Ų133.781%0.81477%0.768SS**  trans157.1114.4168.200000114.7
181H32Very low30.9Very low169 Ų169135 Ų13578%0.78276%0.764SS**  trans-59.5152.3168.6-54.4-91000112.4
182R28.6Very low30.7Very low225 Ų225135.1 Ų135.185%0.84977%0.765SS**  -169.9132.4129.3-100.3143.4-160.7-87.61.9113.5
183S32.6Very low30.9Very low122 Ų122136.1 Ų136.185%0.85377%0.769SS**  trans-88.4160163.8-29.70000111.3
184G30.5Very low31.2Very low67 Ų67134.8 Ų134.869%0.69177%0.769SS**  trans159.3150.5164.600000114.6
185G33.8Very low31.1Very low67 Ų67127.9 Ų127.969%0.69176%0.76SS**  trans90.283.2178.700000115.8
186E30.8Very low30.9Very low161 Ų161134.8 Ų134.875%0.75276%0.764SS**  cis92.3165.114.6106.8-162.270.900117.5
187E28.4Very low30.8Very low174 Ų174134.4 Ų134.481%0.81377%0.77SS**  trans72.9135-163.2-64.4-143.2112.700116.3
188V31.3Very low30.5Very low96 Ų96130.1 Ų130.158%0.58277%0.766SS**  cis-155.9159.3-7.6-102.30000108.2
189H29.9Very low30.5Very low147 Ų147136.3 Ų136.368%0.68177%0.765SS**  cis-120.1-159.4-8.1-71.5-71000107.6
190Y29.6Very low30.5Very low199 Ų199141.4 Ų141.478%0.7876%0.757SS**  cis-154.9159.89.2-122.7-62.8000109.2
191S28.6Very low30.3Very low115 Ų115142.8 Ų142.880%0.80476%0.755SS**  trans41.2119.5161.2-590000119.7
192G28.8Very low29.9Very low72 Ų72144.7 Ų144.774%0.74276%0.76SS**  trans178.9-19165.500000121.7
193H32.9Very low29.9Very low169 Ų169138.9 Ų138.978%0.78275%0.754SS**  trans63.9120.2174.9-82.2-113.5000120.3
194Q34.3Very low30Very low159 Ų159142.1 Ų142.174%0.74375%0.748SS**  trans87.295.6133.9-67.1-179.28.200122.9
195S29.9Very low29.8Very low109 Ų109145.8 Ų145.876%0.76275%0.747SS**  77.390.2109.2-58.50000121.3
196R29.7Very low29.9Very low219 Ų219154.3 Ų154.383%0.82676%0.758SS**  trans-24140.8142.4-54.8165.5176.3160.1-0.8115.1
197S28.3Very low30Very low110 Ų110151.5 Ų151.577%0.76976%0.756SS**  trans-158.3136.6130.3-165.90000113.5
198T27Very low30.2Very low109 Ų109152.2 Ų152.267%0.66976%0.757SS**  trans-74.2156.2173.249.80000112.3
199R34.1Very low30.1Very low206 Ų206152.6 Ų152.678%0.77776%0.763SS**  trans-174137.5138-101.5143.5-160.5-123.84.1116
200R31.3Very low30.2Very low196 Ų196149.1 Ų149.174%0.7477%0.768SS**  trans47105.5136.8-70.7-179.8163.9820120.5
201S23.5Very low30.2Very low108 Ų108147.1 Ų147.176%0.75577%0.771SS**  18.8132.3101.3-38.80000119.9
202K24.6Very low30.2Very low208 Ų208146.5 Ų146.590%0.90477%0.766SS**  trans68.3151.5165.1-54-177.3177.4-1780113
203S26.8Very low30.2Very low103 Ų103154 Ų15472%0.7277%0.772SS**  cis-164164.530.666.30000115
204R35.5Very low30Very low191 Ų191154 Ų15472%0.72177%0.772SS**  91.8111.6129.2-166.3161.3-156.7159.815.1119.4
205E26.5Very low29.7Very low143 Ų143153.7 Ų153.767%0.66877%0.77SS**  trans41.5122.3135.7-59.5151.6-152.900117.5
206R35.2Very low29.7Very low247 Ų247152.8 Ų152.893%0.93276%0.764SS**  -145.5147.766.9-126.2170.3-178.7147.6-1.9116
207S33.1Very low29.8Very low101 Ų101145.7 Ų145.771%0.70676%0.759SS**  trans-48.9167.1161.8-26.90000112.3
208K33.4Very low29.9Very low190 Ų190149.7 Ų149.783%0.82676%0.758SS**  cis-165.9156.943.8-159.6-177.2175.4-174.30113.4
209S29.9Very low30.2Very low103 Ų103153.2 Ų153.272%0.7276%0.758SS**  trans56.2118.2152.551.50000120.5
210G31.1Very low30Very low75 Ų75149.3 Ų149.377%0.77375%0.749SS**  91.7140.2113.700000117
211D29.4Very low30Very low157 Ų157150.3 Ų150.384%0.8475%0.753SS**  cis-144.7-169.8-5.7-144.3-46.2000111.1
212S28Very low30.3Very low102 Ų102151.1 Ų151.171%0.71376%0.758SS**  trans-94.4157.1-152.546.30000114.8
213R29.7Very low30.8Very low229 Ų229152.7 Ų152.786%0.86476%0.758SS**  trans-76.7145.7158.6-49.4165.5178.4165-4.7108.3
214H29.5Very low31.1Very low169 Ų169154.8 Ų154.878%0.78277%0.767SS**  -164.3113.3119.8-128.4-115.9000115.4
215E27Very low31Very low152 Ų152150.6 Ų150.671%0.7177%0.773SS**  30.7144.3111.7-144.471.8-175.900121.8
216S30.4Very low31.1Very low90 Ų90146.9 Ų146.963%0.62977%0.773SS**  trans85.6131.9158.5-570000118
217G30.5Very low31.1Very low70 Ų70146.1 Ų146.172%0.72277%0.77SS**  cis130.9-167.3-9.300000114.2
218R31.7Very low31.1Very low195 Ų195152.8 Ų152.874%0.73678%0.78SS**  trans77.3154171-49.3175.2-175-139.1-2.1116.2
219R32.8Very low30.8Very low182 Ų182148.9 Ų148.969%0.68778%0.777SS**  cis-170.2138-22.7-102.7175.1-173.3-171.80.8108.5
220H30.3Very low31Very low125 Ų125148.3 Ų148.358%0.57977%0.773SS**  147.2120.5123.8-88.3-67.8000115.9
221R30.2Very low31.3Very low217 Ų217151.8 Ų151.882%0.81977%0.774SS**  trans55.3132.9141.6-62169.1179.5147.6-4.7117.6
222S31.2Very low31.6Very low124 Ų124150.6 Ų150.687%0.86777%0.767SS**  cis-134.6178.940.9-69.80000114.5
223R34.5Very low31.8Very low242 Ų242152 Ų15291%0.91377%0.767SS**  trans-101133.3-172.4-68.3172.2163.7-178.9-7112.8
224T33.9Very low32Very low147 Ų147147.9 Ų147.990%0.90276%0.761SS**  -168148.1122.626.30000110.2
225A32.4Very low31.9Very low103 Ų103146.4 Ų146.485%0.85176%0.759SS**  trans-9.9125.6179.100000121.1
226G29.7Very low32.3Very low64 Ų64143.9 Ų143.966%0.6676%0.758SS**  trans-96.5179.2137.400000109.3
227W33.5Very low32.3Very low231 Ų231146.4 Ų146.488%0.87576%0.764SS**  cis-149.9175.84.5-84.1-29.9000106.5
228W33.8Very low32.3Very low241 Ų241148.5 Ų148.591%0.91377%0.768SS**  cis-145.914533.6-77.863000113.8
229S27.6Very low32.4Very low108 Ų108142.4 Ų142.476%0.75576%0.756SS**  trans-173.5136.7159.6-177.30000104.6
230S32.9Very low32.2Very low91 Ų91142.3 Ų142.364%0.63676%0.76SS**  cis-153167.24-107.10000111.4
231D37.2Very low32.3Very low148 Ų148143.4 Ų143.479%0.79177%0.77SS**  trans65.1167.7148.5-79-69.2000122.9
232D37.1Very low32.2Very low132 Ų132138.4 Ų138.471%0.70676%0.763SS**  trans74.593.1164.3-88.4-58000121.2
233N31.3Very low32.1Very low131 Ų131138 Ų13870%0.70176%0.761SS**  88.9150.7112.1-115.4-50.1000122.8
234L34.7Very low31.9Very low144 Ų144130.4 Ų130.475%0.75476%0.757SS**  trans59.2100.6164.2-57.2-176.9000121.2
235D28.1Very low31.5Very low138 Ų138126.9 Ų126.974%0.73875%0.75SS**  55.2122.1103.7-129.9-25.9000122.1
236S34.8Very low31.3Very low98 Ų98133.5 Ų133.569%0.68575%0.753SS**  trans72.4143.7141-750000125.1
237D30.1Very low31.2Very low143 Ų143142.6 Ų142.677%0.76577%0.767SS**  trans78.3106.9147.3-84.9-0.6000123.9
238S30.6Very low30.8Very low115 Ų115135.3 Ų135.380%0.80476%0.764SS**  trans-135.678.4133.767.50000109
239S33.8Very low30.5Very low67 Ų67134.7 Ų134.747%0.46976%0.763SS.*  88.1179.553.987.90000113.9
240F28.5Very low30.9Very low179 Ų179134.5 Ų134.579%0.78576%0.759SS**  trans75.7125-174.3-53.9-79.2000116
241L32.2Very low30.6Very low148 Ų148136.6 Ų136.678%0.77577%0.768SS**  cis-161.7165-11.3-83179.7000107.7
242V29.4Very low30.1Very low113 Ų113132.9 Ų132.969%0.68577%0.765SS**  cis-169.6146.6-33.475.40000108.4
243S28.9Very low29.6Very low116 Ų116134.5 Ų134.581%0.81177%0.768SS**  trans56.1144167-61.10000119.2
244G28.6Very low29.4Very low82 Ų82135.9 Ų135.985%0.84577%0.77SS**  cis127.8107.8-3.800000113.4
245G27.4Very low29.1Very low72 Ų72133.7 Ų133.774%0.74277%0.767SS**  trans148.296.2160.900000120.5
246R27.6Very low29Very low242 Ų242135 Ų13591%0.91377%0.773SS**  trans70.2140.1148.4-47.2-164.9-166.5-67.30.2121.4
247R26.2Very low28.8Very low255 Ų255136.2 Ų136.296%0.96277%0.772SS**  trans18.3116.9149.9-68-176.4179.3-105.6-0.7119.3
248G26.2Very low28.8Very low78 Ų78134.5 Ų134.580%0.80478%0.778SS**  trans176.8107.5151.600000113.8
249Y27Very low28.8Very low229 Ų229133.8 Ų133.890%0.89878%0.778SS**  trans-77.9149.1147.3-99.9-96.3000106.5
250P36.5Very low28.7Very low104 Ų104136.4 Ų136.468%0.67579%0.786SS**  -150173.357.242.8-23.5000118.2
251T26.5Very low28.9Very low135 Ų135135.1 Ų135.183%0.82878%0.783SS**  trans43.5140.9143.653.70000123.6
252G26.6Very low28.8Very low70 Ų70137.7 Ų137.772%0.72279%0.79SS**  trans123.5128.717200000110.2
253H26.5Very low28.8Very low166 Ų166138.1 Ų138.177%0.76979%0.788SS**  cis53.2121.532.1-102.8-106.8000112
254E26.7Very low28.9Very low160 Ų160139 Ų13975%0.74879%0.789SS**  cis-152.21787.4-157.9157.8-175.200111.5
255S29.5Very low28.7Very low98 Ų98142 Ų14269%0.68578%0.783SS**  trans-81.1152.7-176.655.80000114.3
256L25.9Very low28.6Very low164 Ų164146.6 Ų146.686%0.85978%0.782SS**  trans-152.7159.3135.1-146.566.7000113.6
257D29.4Very low28.8Very low125 Ų125142.4 Ų142.467%0.66877%0.771SS**  trans-63.1141.5-171.1-59.3-78000116.7
258A31.5Very low29Very low107 Ų107136.2 Ų136.288%0.88476%0.763SS**SBendtrans-153.127.1157.400000114.2
259A29.6Very low28.9Very low99 Ų99139.5 Ų139.582%0.81876%0.756SS**SBendtrans-153.23.3-178.900000117.6
260I32.5Very low28.8Very low123 Ų123134.4 Ų134.463%0.63174%0.74SS**  trans-140.7116.8179.1-56.3179.8000105.1
261Q32.1Very low28.4Very low152 Ų152139.9 Ų139.971%0.7175%0.747SS**  cis-151.3125.827.5-126.3160.280.700110.3L263Q261-L263 HydrophobicContact CG-CD1 3.86Å; Q261-L263 HydrophobicContact CG-CG 4.06Å
262E30Very low28.4Very low201 Ų201138.3 Ų138.394%0.93974%0.742SS**  trans-120.5124137.6-99.2-146145.800107.6
263L29.9Very low28.4Very low122 Ų122138.9 Ų138.964%0.63975%0.747SS**  trans-120.6159.9176.3-76.1168.1000108.4Q261Q261-L263 HydrophobicContact CG-CD1 3.86Å; Q261-L263 HydrophobicContact CG-CG 4.06Å
264T30.5Very low28.7Very low136 Ų136134.6 Ų134.683%0.83475%0.749SS**  trans75.6154.1167.981.50000116.2
265M25.4Very low29.4Very low144 Ų144133.6 Ų133.671%0.70976%0.756SS**  cis-176.4150.5-46.4-109.8-108.4-115.300108.7
266K25.5Very low29.4Very low168 Ų168132.5 Ų132.573%0.7376%0.76SS**  trans65.5160.2156.6-82.4164.8-172.9170.60115.1
267K30.4Very low29.8Very low155 Ų155129.8 Ų129.867%0.67476%0.755SS**  cis-155.3178.5-21.5-143.9-177.1178.7-179.10107.1
268P30Very low30Very low124 Ų124128.7 Ų128.781%0.80576%0.763SS**  -133.9160.787.914.18000116.1
269K25.8Very low30.1Very low147 Ų147132.3 Ų132.364%0.63976%0.762SS**  trans-38.6165.4161.5-75.9177.4134.8-150.40115.7
270E24.3Very low30.2Very low123 Ų123132.9 Ų132.958%0.57576%0.758SS**  cis-121.3-177.39.7-76.4-65.8-162.200110.7
271R27Very low30.7Very low218 Ų218136.2 Ų136.282%0.82377%0.773SS**  cis-139.4-110.33.1-151.1168.5-164.6-143.8-0114.2
272S27.2Very low30.9Very low103 Ų103132.5 Ų132.572%0.7277%0.769SS**  trans-135.6144.4-160.651.50000112.8
273G27.8Very low30.9Very low81 Ų81129 Ų12984%0.83577%0.766SS**  trans136.193.5142.300000119.1
274G31.9Very low31.1Very low77 Ų77129.8 Ų129.879%0.79478%0.776SS**  trans98.2147150.800000117.7
275P42.3Very low31.1Very low139 Ų139129.5 Ų129.590%0.90377%0.773SS**  trans-104.9166.8178.340.4-34.1000113.6
276G29.6Very low31.3Very low75 Ų75131.2 Ų131.277%0.77378%0.782SS**  trans-177.8133.1169.900000113
277S33.1Very low31.5Very low107 Ų107127.3 Ų127.375%0.74878%0.781SS**  trans-41.9149.8179.644.50000117.7
278A33.9Very low31.6Very low102 Ų102127.8 Ų127.884%0.84379%0.79SS**  trans-69.8152.9156.500000110.8
279E33.2Very low31.8Very low183 Ų183128.6 Ų128.686%0.85579%0.793SS**  trans-118.7158.7177.9-69.6-172.4144.500112.3
280C31.1Very low32Very low110 Ų110125.6 Ų125.674%0.74380%0.803SS**  trans-64.2140.9-165.1-174.90000115.5A282C280-A282 PolarHBondContact O-N 3.08Å
281M43Very low32.4Very low193 Ų193122.1 Ų122.195%0.95180%0.801SS**SBendtrans-83.477.6167.5-65.5-166-57.600111.5
282A36.4Very low32.9Very low75 Ų75114.3 Ų114.362%0.6277%0.774SS**  trans-149.936.3179.200000115.1C280C280-A282 PolarHBondContact O-N 3.08Å
283C31.9Very low33.4Very low128 Ų128112.8 Ų112.887%0.86577%0.774SS**  trans-142.467.9-176.8-78.70000113
284T32.5Very low33.8Very low138 Ų138111.9 Ų111.985%0.84776%0.764SS**  trans-140.945.4-174.2-24.10000115.6
285T30.1Very low33.9Very low129 Ų129111 Ų11179%0.79176%0.756SS**  trans-140.9139.3167.3-33.40000110.4
286M29.7Very low33.6Very low180 Ų180112.3 Ų112.389%0.88775%0.749SS**  trans68.3130.3-176.2-44.4-65.1-90.500114.1
287A31.5Very low33.7Very low86 Ų86117.1 Ų117.171%0.71175%0.751SS**  cis-154.2163.8-7.600000110.9
288L32.2Very low33.5Very low166 Ų166115.4 Ų115.487%0.86975%0.751SS**  trans-129.7109.7169.8-76.6175.3000110.1
289T32.7Very low33.3Very low141 Ų141119.3 Ų119.387%0.86575%0.751SS**  trans-157.6139.2166.949.30000110.8
290G30.3Very low33.1Very low83 Ų83120 Ų12086%0.85675%0.754SS**  trans94.4123.4169.200000114.1
291G34Very low32.8Very low50 Ų50117.3 Ų117.352%0.51575%0.745SS.*  trans-140.7173.9-179.700000114
292E36Very low32.2Very low55 Ų55117 Ų11726%0.25774%0.741SS.*  trans64.4163.5142.5-53-88.7168.900118.8S153 H154 S155 L156 E157S153-E292 VanDerWaalsContact C-CD 3.46Å; S153-E292 VanDerWaalsContact O-CD 3.29Å; H154-E292 WeakPolarHBondContact CA-OE1 3.43Å; H154-E292 VanDerWaalsContact CA-OE2 3.31Å; H154-E292 WeakPolarHBondContact CA-OE2 3.36Å; H154-E292 PolarHBondContact N-OE1 3.45Å; S155-E292 PolarHBondContact N-OE1 2.85Å; S155-E292 PolarHBondContact N-OE2 3.06Å; L156-E292 PolarHBondContact N-OE1 2.89Å; E157-E292 HydrophobicContact CB-CB 3.79Å; E157-E292 HydrophobicContact CB-CG 3.88Å; E157-E292 VanDerWaalsContact N-CD 3.3Å; E157-E292 PolarHBondContact N-OE2 3.09Å
293G37.4Very low31.7Very low71 Ų71117.9 Ų117.973%0.73274%0.743SS**  trans111.858.8168.600000118.3
294G36.9Very low31.8Very low61 Ų61118.8 Ų118.863%0.62974%0.738SS**  trans-98.2-164.3170.700000114.5
295G34.8Very low31.6Very low59 Ų59120 Ų12061%0.60873%0.731SS**  trans168104164.100000119.4
296H34.5Very low31.6Very low167 Ų167124.2 Ų124.277%0.77373%0.733SS**  trans60.9153.1138.3-48.9-65.3000120.7
297H33.6Very low31.6Very low176 Ų176119.8 Ų119.882%0.81572%0.72SS**  cis-162.4161.6-19.9-112.1-39.8000109.3
298G28.6Very low31.4Very low71 Ų71121.8 Ų121.873%0.73272%0.724SS**  trans139.5107.4156.900000116.1
299H29.1Very low31.1Very low183 Ų183125.3 Ų125.385%0.84773%0.725SS**  trans-114.1123.2168.5-69.3-86.2000110.9
300H27.9Very low31Very low197 Ų197123.7 Ų123.791%0.91272%0.72SS**  -167.8141128-11856.2000115.4
301G25.3Very low30.9Very low55 Ų55124.7 Ų124.757%0.56772%0.72SS**  72.781.211500000120
302H30Very low30.7Very low185 Ų185130.5 Ų130.586%0.85674%0.736SS**  trans51.5108.6131.5-71.3-75.3000121.7
303S26.8Very low30.6Very low95 Ų95134.9 Ų134.966%0.66477%0.766SS**  92.1148.7109.5-156.60000120.1
304L32.8Very low30.3Very low146 Ų146137.7 Ų137.776%0.76477%0.769SS**  trans70.7141.7171.3-61.2147.7000114.4
305K28.6Very low29.8Very low163 Ų163139.8 Ų139.871%0.70977%0.774SS**  cis-152.8136.818.7-129.4150.2-174.4174.60111.1
306R31.5Very low29.6Very low218 Ų218146.3 Ų146.382%0.82379%0.789SS**  trans49.7145.4141.6-68.5177.6-179-91.5-0.5120.6
307S29Very low29.2Very low87 Ų87142.3 Ų142.361%0.60878%0.784SS**  cis178.4-172.3-1452.30000108.4
308T26.4Very low28.9Very low129 Ų129144 Ų14479%0.79178%0.784SS**  trans82.4156.3156.53.10000116.9
309W27.4Very low29Very low239 Ų239147.3 Ų147.391%0.90578%0.78SS**  trans-132.2170.8-156.4-86.433000112.1
310S30.8Very low28.9Very low108 Ų108144.6 Ų144.676%0.75578%0.776SS**  trans93.6148.2144.4-63.80000120.9
311A28.2Very low28.7Very low103 Ų103144.6 Ų144.685%0.85177%0.769SS**  trans86.6142.6156.800000119.4
312M29.6Very low29.3Very low172 Ų172148 Ų14885%0.84778%0.781SS**  trans-90.4159.7-177.8-57.7141.554.100111.4
313T32.4Very low29.1Very low147 Ų147142.4 Ų142.490%0.90276%0.763SS**  -160.9166.4128.92.50000111.6
314V31.4Very low29.2Very low130 Ų130143.5 Ų143.579%0.78877%0.766SS**  trans-133.7140.9-174.7175.60000108.6
315S27.2Very low28.9Very low105 Ų105148.1 Ų148.173%0.73477%0.774SS**  trans162.2162.1140.5-78.20000113.4
316Q29.9Very low28.8Very low196 Ų196143.8 Ų143.892%0.91678%0.775SS**  trans76.1136.1175.9-53.8-171.857.800115.5
317A26.4Very low28.6Very low83 Ų83136.9 Ų136.969%0.68677%0.771SS**  cis-159173.7-15.500000110.7
318R27.8Very low28.5Very low211 Ų211135.2 Ų135.280%0.79677%0.768SS**  trans21.5131143.7-73.8177.1167.8-129.48.2117.3
319E30.3Very low28.6Very low142 Ų142139 Ų13966%0.66477%0.769SS**  cis157.5168.848.4-111163.3-156.500105.9
320V26.5Very low28.6Very low125 Ų125133.1 Ų133.176%0.75876%0.756SS**  cis-151.1157.5-18.379.70000108.4
321Y25Very low28.6Very low197 Ų197135.9 Ų135.977%0.77375%0.754SS**  trans-79151.7168.2-121.6-137.1000110.1
322P36.5Very low28.7Very low126 Ų126135.2 Ų135.282%0.81875%0.749SS**  -137.6116.6105.134.3-22.1000113.9
323S27.4Very low28.7Very low68 Ų68135.1 Ų135.148%0.47675%0.751SS.*  trans-70.4148.3150.2174.60000109.3
324T27.9Very low28.4Very low119 Ų119134 Ų13473%0.7374%0.744SS**  -173.8135.711321.30000113.6
325R27.3Very low29.4Very low243 Ų243133.2 Ų133.292%0.91774%0.741SS**  trans63.3146156-61.2172.6178.2-166.2-1.6117.3
326G25.1Very low29.5Very low72 Ų72136 Ų13674%0.74275%0.747SS**  cis141.2143.5-5.200000112.4
327G27.4Very low29.4Very low72 Ų72134.3 Ų134.374%0.74274%0.739SS**  trans76154.9-171.700000112.5
328G28.4Very low29.4Very low53 Ų53137.9 Ų137.955%0.54675%0.747SS.*  cis171150-3.700000112.2
329Y28.4Very low29.3Very low207 Ų207136 Ų13681%0.81274%0.744SS**  trans40.4132.114236.2-110.1000122.4
330D27.6Very low29.2Very low117 Ų117136.6 Ų136.663%0.62675%0.751SS**  trans82.9109.4134-83.4-132.3000124.1
331K29Very low29.1Very low165 Ų165138.4 Ų138.472%0.71775%0.749SS**  51.1106.4116.7-57.8-173.1-166.178.60119.2
332A30.8Very low29.2Very low89 Ų89134.7 Ų134.774%0.73674%0.738SS**  46.2134.1121.400000121.1
333L29.5Very low28.8Very low171 Ų171138.7 Ų138.790%0.89574%0.737SS**  -166159.3103.1-98.5169.8000114.1
334V27.4Very low28.7Very low124 Ų124138.9 Ų138.975%0.75274%0.739SS**  trans-83.5170.5-174.6-175.60000110.6
335P51.5Low28.7Very low112 Ų112141.7 Ų141.773%0.72774%0.741SS**  cis-125.6-175.5-39.238.2-23.1000113.5
336L28.5Very low28.8Very low165 Ų165139.1 Ų139.186%0.86474%0.739SS**  -163.8157.7120.1-16155.1000111.9
337E28.1Very low28.8Very low160 Ų160144.9 Ų144.975%0.74874%0.74SS**  trans-80.4150.1169.3-56.1179.7101.800112.3
338N26.4Very low29Very low158 Ų158149 Ų14985%0.84574%0.744SS**  -162171.6116.5-125-52000114.6
339K26.9Very low28.8Very low172 Ų172153.7 Ų153.775%0.74875%0.751SS**  trans-99.1-179.5-176.6-57.6173.5-177.3169.80112
340L27.2Very low28.6Very low153 Ų153150.2 Ų150.280%0.80175%0.752SS**  trans85106.3153.6-66.7161.4000119.1
341K25.7Very low28.6Very low164 Ų164149.8 Ų149.871%0.71376%0.755SS**  78.195.7106.7-162.6176.2180-176.70119
342E26.5Very low28.6Very low118 Ų118146 Ų14655%0.55175%0.75SS**  81.4151.4121.5-153.8-168.4131.100119.3
343R28.7Very low28.7Very low211 Ų211149.7 Ų149.780%0.79675%0.751SS**  trans60.9131.2167.4-82.1161.3152.8121.1-7.3117.8
344S24.1Very low28.8Very low72 Ų72147.3 Ų147.350%0.50374%0.74SS.*  cis154150.5-15.244.20000108
345F28.8Very low28.8Very low178 Ų178152.1 Ų152.178%0.78175%0.745SS**  trans78.4128164-48.5-61.2000119.5
346H28.2Very low27.6Very low188 Ų188150.2 Ų150.287%0.8775%0.745SS**  -170.2106.9104.9-81.7-67.2000106.8
347Y26Very low27.4Very low194 Ų194146.3 Ų146.376%0.76175%0.745SS**  88.1109.770-153.5-75.3000114.3
348L31.7Very low27.4Very low159 Ų159142.8 Ų142.883%0.83275%0.752SS**  trans172.995.3161.5-97.8173.3000105.5
349Q24.6Very low27.4Very low150 Ų150139 Ų13970%0.70175%0.75SS**  92.9102.663.8-174.3165.86.200113.6
350V24.7Very low27.4Very low135 Ų135142.2 Ų142.282%0.81876%0.759SS**  trans-144.7127.4163.9-178.70000107.3
351P27.4Very low27.5Very low107 Ų107138.9 Ų138.970%0.69576%0.761SS**  trans-88.1158.2167.136.2-32.7000110.5
352S28.5Very low27.6Very low87 Ų87134.7 Ų134.761%0.60876%0.764SS**  cis-159.8158.32.5-130.50000108.7
353E32.6Very low27.7Very low165 Ų165135 Ų13577%0.77178%0.78SS**  trans59.5147.6153.5-71.1138.7-114.600118.3
354D31.8Very low28Very low121 Ų121129 Ų12965%0.64778%0.775SS**  cis-157-170.7-9-132.4-1.7000110.4
355W28.2Very low28.5Very low226 Ų226133.4 Ų133.486%0.85679%0.793SS**  trans-13.7149.8171.3-43.590.8000119.2
356G24.8Very low28.7Very low71 Ų71130.1 Ų130.173%0.73279%0.792SS**  cis116.4134.727.500000110.2
357G25.8Very low28.9Very low84 Ų84125 Ų12587%0.86679%0.79SS**  trans82.1170-166.800000112.9
358G26.3Very low29.2Very low86 Ų86119.4 Ų119.489%0.88779%0.791SS**  cis125.399.4-3.500000112.5
359G27.5Very low29.3Very low78 Ų78121.2 Ų121.280%0.80480%0.796SS**  trans156.4145.4172.800000116.6
360Y27.6Very low30Very low240 Ų240120.8 Ų120.894%0.94180%0.797SS**  trans-43.4132.2172.6-70.2-101.2000118.1
361G28.5Very low30.6Very low82 Ų82120.4 Ų120.485%0.84580%0.797SS**  89.9154.9116.400000120.3
362G28Very low31Very low76 Ų76120.7 Ų120.778%0.78480%0.8SS**  trans124.993.7148.300000119.9
363S29.2Very low31.4Very low125 Ų125128 Ų12887%0.87481%0.814SS**  75.6162.5128.7-145.70000122.9
364A34.7Very low31.5Very low84 Ų84130.2 Ų130.269%0.69482%0.816SS**  trans61.185.8153.100000120.8
365D34.4Very low31.3Very low166 Ų166132.4 Ų132.489%0.88882%0.824SS**  40.3157.297.3-156.118.4000122
366S32.8Very low31.5Very low108 Ų108134 Ų13476%0.75583%0.83SS**  trans87.290.7164.5-151.40000119.9
367G33.3Very low31.8Very low81 Ų81136.7 Ų136.784%0.83584%0.837SS**  69.7144.5111.100000122.4
368G31Very low32.3Very low76 Ų76136.5 Ų136.578%0.78484%0.836SS**  trans129.875.415000000119.8
369E34.5Very low32.7Very low197 Ų197138.6 Ų138.692%0.92184%0.837SS**  trans59.4178.7152.3-66-162.6127.200120.9
370I38Very low32.7Very low142 Ų142144.7 Ų144.773%0.72884%0.837SS**  trans-136.1140.8-146.3-59.1158.3000111.1
371P38.4Very low33.1Very low127 Ų127139 Ų13983%0.82582%0.821SS**  trans-134.4126.2131.533.2-21000113.2R373P371-R373 PolarHBondContact O-N 3.24Å
372C35.6Very low33.8Very low112 Ų112144.7 Ų144.776%0.75782%0.823SS**  trans-65.8126.8177.3-56.50000112.3
373R36.3Very low34.3Very low240 Ų240145 Ų14591%0.90682%0.818SS**  trans-165.1116.1141.4-109151.7-167.7-163.93.3116.7P371P371-R373 PolarHBondContact O-N 3.24Å
374R35Very low34.8Very low213 Ų213147.9 Ų147.980%0.80482%0.82SS**  64.996.6127.1-171.1171.3-80.3-155.3-4.8119
375M27.3Very low35Very low167 Ų167147.2 Ų147.282%0.82382%0.821SS**  trans62.3108.3133.9-61.3166.759.600119.7
376R33.2Very low35.3Very low260 Ų260147 Ų14798%0.98182%0.82SS**  -153131.7128.9-110.7167.7-175.8176.70.7109.9
377S31.2Very low35.8Very low126 Ų126149.3 Ų149.388%0.88182%0.824SS**  trans-121.9122.9-179.454.10000109.9
378G35.2Very low36.1Very low81 Ų81152.9 Ų152.984%0.83582%0.824SS**  trans151.795.8177.500000112.9
379S35.3Very low36.6Very low130 Ų130154.7 Ų154.791%0.90982%0.824SS**  trans-58.4156.5-173.1-42.20000116.3
380Y28.5Very low36.4Very low205 Ų205150 Ų15080%0.80482%0.819SS**  trans-125.2116.6156.4-175-96.4000111.6
381I35Very low36.2Very low120 Ų120151 Ų15162%0.61583%0.826SS**  trans49.8123.7156.8-60.1-164.8000121.7
382K43.3Very low36.5Very low203 Ų203150 Ų15088%0.88382%0.822SS**  trans-57.7125.9158.1162.8-170.61761740113.8
383A38.1Very low36.2Very low81 Ų81152.7 Ų152.767%0.66982%0.824SS**  trans-159.2128.6156.400000112.6
384M39.8Very low35.9Very low187 Ų187146.9 Ų146.992%0.92182%0.815SS**  trans67147.5169.8-42.1-51.5-78.400117.7
385G38.4Very low36Very low70 Ų70141.9 Ų141.972%0.72281%0.813SS**  trans78.5121.6-164.400000111.2
386D41.7Very low37.3Very low161 Ų161139.1 Ų139.186%0.86181%0.807SS**  cis70.9149.812.1-138.1-2.7000116.2
387D41.8Very low37Very low156 Ų156136.6 Ų136.683%0.83480%0.803SS**  trans68145.3-166.4-88.1-71.1000118.3
388D40Very low36.9Very low157 Ų157135.1 Ų135.184%0.8480%0.798SS**  trans-75.4171.3-156.2-106.1-70.2000119.1
389S41.4Very low36.4Very low113 Ų113135.9 Ų135.979%0.7979%0.791SS**  trans75.7111.1150.4-159.50000121
390A31.1Very low36.1Very low99 Ų99135.7 Ų135.782%0.81879%0.787SS**  trans-157.6152.2146.400000111.1
391D33.8Very low36.3Very low164 Ų164135.1 Ų135.188%0.87779%0.788SS**  trans-74.4175.1-178-89.9-70.6000115.4
392S44.2Very low36Very low106 Ų106133.4 Ų133.474%0.74179%0.788SS**  trans-71.3147.4174.9-600000112.9
393E30.2Very low35.4Very low167 Ų167129.8 Ų129.878%0.7878%0.783SS**  174.7153.1126.2-95.3-78.575.800114.1
394T30.1Very low35.1Very low118 Ų118132.8 Ų132.872%0.72479%0.786SS**  trans34.8124.1157.257.70000124.6
395S36.7Very low34.6Very low108 Ų108130.6 Ų130.676%0.75578%0.777SS**  trans-66.4162.8148.8-160.50000110.4
396P53.3Low34.4Very low109 Ų109131.7 Ų131.771%0.70878%0.779SS**  cis-153.1165.729.342.7-21.8000120.4
397K27.7Very low33.8Very low208 Ų208133.1 Ų133.190%0.90478%0.781SS**  trans-169124.6132.8-110.4159-173.3168.30116.8
398A29.9Very low33.2Very low94 Ų94136.2 Ų136.278%0.77778%0.78SS**  trans46.392.614400000122.4
399S25Very low32.6Very low98 Ų98136 Ų13669%0.68578%0.779SS**  53.3118.4120.7-1720000121.7
400P28.7Very low31.8Very low126 Ų126135 Ų13582%0.81878%0.779SS**  trans-81.8143.7148.933.9-30.9000111.3
401K31.1Very low31.7Very low192 Ų192138.7 Ų138.784%0.83578%0.776SS**  trans-109.7151.3163.2-78.5-174.1178.4179.50109.6
402S29.2Very low31.5Very low85 Ų85140 Ų14059%0.59477%0.769SS**  cis158.6118.6-34.851.50000108.1
403T30.2Very low30.8Very low127 Ų127145.3 Ų145.378%0.77977%0.773SS**  trans-169.8137.8160.8360000108.7
404L31.9Very low30.6Very low143 Ų143142.3 Ų142.375%0.74977%0.77SS**  cis-136.3132.8-20.8-82.3128.9000104.7
405I31Very low30.5Very low142 Ų142144.6 Ų144.673%0.72878%0.776SS**  68.1101.466.9-61.8166000112.7
406A34Very low29.9Very low92 Ų92143.8 Ų143.876%0.7677%0.771SS**  trans-176.5101.7134.200000110.1
407Q29.1Very low28.6Very low191 Ų191145.8 Ų145.889%0.89377%0.772SS**SBendtrans16256.6158.6-92.2-70.2-17.100112
408R28.4Very low28.5Very low221 Ų221141 Ų14183%0.83476%0.757SS**  trans-159.5129.9161.7-85.8-172.770.8106.8-4.9108.3
409D26.7Very low28.3Very low152 Ų152144 Ų14481%0.81375%0.754SS**  174.3117.6116.7-90-17.8000113.9
410A26.3Very low28.4Very low94 Ų94146.1 Ų146.178%0.77775%0.748SS**  trans-178.1119.3159.300000103.4
411F28.6Very low28.5Very low175 Ų175147.7 Ų147.777%0.76874%0.737SS**  cis-164.2164.646.7-132.2-156.2000106.3
412R29.6Very low28.4Very low191 Ų191147 Ų14772%0.72174%0.737SS**  cis-163.7-178.61.7-154.1-150.6-72.4-153.21.2108.2
413R28.9Very low28.5Very low219 Ų219151.1 Ų151.183%0.82674%0.744SS**  trans85.2136.7169.9-47.6177.4-147.3-112.16.8113.6
414S26.5Very low28.5Very low104 Ų104150.6 Ų150.673%0.72774%0.737SS**  cis-165.7164.5-1138.30000111
415I26.7Very low28.5Very low165 Ų165149.8 Ų149.885%0.84674%0.738SS**  trans-9.9142.5160.934.9167.6000117.6
416S25.9Very low28.7Very low92 Ų92150.2 Ų150.264%0.64374%0.741SS**  cis-162.3165.415.3-172.20000110.7
417M25.5Very low28.5Very low151 Ų151152.7 Ų152.774%0.74474%0.738SS**  175.2107.9121.8-90.6-84.576.500115
418D26.3Very low28.5Very low108 Ų108153.5 Ų153.558%0.57873%0.734SS**  107.5137117.5-121.8-11.6000124.9
419Q25.5Very low28.5Very low155 Ų155147.5 Ų147.572%0.72473%0.726SS**  trans38110.9154.3-82.3159.670.700122.8
420R26.8Very low28.7Very low144 Ų144146.4 Ų146.454%0.54373%0.729SS.*  -154114.8111-107.1-179.8-159.7-112.33.6112.7T566 Q567R420-T566 PolarHBondContact NH1-O 2.89Å; R420-T566 PolarHBondContact NH2-O 2.97Å; R420-Q567 VanDerWaalsContact NH1-CD 3.3Å
421R29.6Very low28.8Very low159 Ų159150.1 Ų150.160%0.673%0.728SS**  trans56.9126.7160.8-51.5-162-170.3-69.3-0.4116.7S565R421-S565 PolarHBondContact NH2-OG 3.38Å; R421-S565 VanDerWaalsContact NH2-OG 3.09Å
422Q30.7Very low28.7Very low178 Ų178151.1 Ų151.183%0.83274%0.735SS**  cis59.684.921-163.3-162.721.100114.8
423K31.4Very low28.6Very low170 Ų170146.2 Ų146.274%0.73973%0.729SS**  -168.4164.1125.3-123176152.4-86.80114.6
424D29.9Very low28.7Very low117 Ų117141.4 Ų141.463%0.62672%0.724SS**  trans68.381.9152.3-56.8-24.5000119.8
425T31.4Very low28.6Very low126 Ų126143 Ų14377%0.77373%0.725SS**  trans-11.5139.7132.1-25.20000118.2
426L34.5Very low28.5Very low150 Ų150140.1 Ų140.179%0.78572%0.719SS**  trans77160.3148.8-133.177.6000119.8
427M30.8Very low28.3Very low144 Ų144146.5 Ų146.571%0.70973%0.731SS**  trans84.9115.1165.7-57-66.9-82.700119
428Y29.2Very low29.8Very low208 Ų208144.5 Ų144.582%0.81673%0.729SS**  trans17.3133.8138.3-61.9-92.2000118.2
429S28.1Very low29.7Very low95 Ų95147.1 Ų147.166%0.66474%0.743SS**  -165.6120.464.5-173.50000114.2
430C30.8Very low29.9Very low129 Ų129144.4 Ų144.487%0.87274%0.741SS**  trans-88.2115.6143.4176.20000107.2
431K28.1Very low30.1Very low173 Ų173148.8 Ų148.875%0.75276%0.758SS**  trans-162.499.4165.7-117.1171.8-173.5178.80111.7
432Q26.8Very low30.2Very low195 Ų195147.6 Ų147.691%0.91177%0.768SS**  trans-126.6124.5133.1-164.9145.17.500106.8
433C28.3Very low30.1Very low88 Ų88143.5 Ų143.560%0.59577%0.765SS**  trans-81.1-177.3175.1-48.80000108.6
434T29.1Very low30.7Very low118 Ų118140.8 Ų140.872%0.72476%0.764SS**  cis-158.8179.624.6-9.30000106.4
435D25.9Very low30.6Very low139 Ų139145.1 Ų145.174%0.74378%0.778SS**  cis-163.4-178.217.5-137-37.7000113.6
436S23.5Very low30.5Very low104 Ų104143.6 Ų143.673%0.72778%0.778SS**  trans83.1117.6154.1-61.70000121.7
437Y23.1Very low30.3Very low226 Ų226145 Ų14589%0.88678%0.78SS**  trans-137.9175.2161.1-113.3-114.9000105
438P55.6Low30.2Very low109 Ų109143.8 Ų143.871%0.70878%0.781SS**  -133.4-178.9-53.240.7-25.2000112.3
439N25.8Very low30.1Very low162 Ų162145.6 Ų145.687%0.86679%0.786SS**  trans-161.9161.6136.1-142-25.8000113.3
440S29.6Very low30Very low99 Ų99147 Ų14769%0.69280%0.797SS**  trans-104.8150.6-178.9-64.30000113.2
441R30.2Very low30.1Very low235 Ų235151.6 Ų151.689%0.88780%0.795SS**  trans-174145.5132.2-102.8159.5-150.4-123.83.6114.5
442T30.8Very low30.3Very low135 Ų135147.8 Ų147.883%0.82879%0.79SS**  trans58.6124151.351.80000121.8
443A30.1Very low30.6Very low91 Ų91149.3 Ų149.375%0.75279%0.789SS**  trans-75.7-176.5155.600000110.4
444P44.1Very low30.8Very low113 Ų113152.3 Ų152.373%0.73481%0.805SS**  cis-149.3-161.620.444.5-22.3000117.5
445K27.7Very low31Very low209 Ų209157.9 Ų157.991%0.90981%0.813SS**  trans85.3156.6164.3-75.7177.8176.3179.40117.9
446A27.7Very low31.3Very low94 Ų94156 Ų15678%0.77781%0.81SS**  trans-131.3156.6-163.800000111.8
447H30.2Very low31.8Very low178 Ų178159.1 Ų159.182%0.82482%0.818SS**  trans-153.3153.2134.2-137.2-66.9000111.5
448T28.7Very low32.4Very low119 Ų119154.4 Ų154.473%0.7381%0.813SS**  trans-60.7146.6166.149.80000112.5
449R28.9Very low31.5Very low246 Ų246154.3 Ų154.393%0.92882%0.815SS**  160.4105.6128.6-173177.8-150.6172.66.4111.1
450S25.2Very low32Very low126 Ų126151.8 Ų151.888%0.88181%0.81SS**  trans-114.7159.6164.7-171.30000110.3
451R33.6Very low32.6Very low225 Ų225154.4 Ų154.485%0.84981%0.811SS**  trans-143.5127-170.2-168.7-175.1-171.7-169.83110.4
452S31.9Very low32.9Very low92 Ų92151.3 Ų151.364%0.64380%0.804SS**  trans66.1121.5170.9-52.50000117.5
453Y31.9Very low33.4Very low227 Ų227150.6 Ų150.689%0.8980%0.795SS**  158.9105.8113-96.9-76.4000112.3
454T32.6Very low34Very low151 Ų151148.2 Ų148.293%0.92678%0.78SS**  trans-145.6143.4152.441.40000108.6
455R33.5Very low34Very low235 Ų235148 Ų14889%0.88777%0.772SS**  trans-131.3133.3175.9-173.4178.4-173-101.75.3108.4
456S33Very low34.9Very low99 Ų99141.5 Ų141.569%0.69275%0.75SS**  trans-71.6148.4-167.5-380000114.4
457L33.4Very low36Very low171 Ų171141 Ų14190%0.89573%0.734SS**  trans-143.982.3155.3-76.7-176.9000109.9
458T36.6Very low36.9Very low126 Ų126135 Ų13577%0.77371%0.708SS**  trans-140.782174.445.50000109.5
459S36.2Very low38Very low107 Ų107135.2 Ų135.275%0.74870%0.7SS**  trans-148.3-3.2177.5-165.30000115.3
460S36.5Very low39Very low110 Ų110129.6 Ų129.677%0.76969%0.685SS**SBendtrans-96.4-35.3-175.3-56.90000114
461Q40.8Very low40.4Very low153 Ų153124.4 Ų124.472%0.71565%0.646SS**Hα-helixtrans-66.9-49-178.5-73.7165.8-43.500112L463 G464 D465Q461-L463 PolarHBondContact O-N 2.99Å; Q461-G464 PolarHBondContact O-N 3.14Å; Q461-D465 PolarHBondContact O-N 3.46Å
462K38.5Very low41.4Very low170 Ų170117.2 Ų117.274%0.73962%0.622SS**Hα-helixtrans-63.6-8.6-173-150.2-173.2177.9-176.10115.6T466K462-T466 PolarHBondContact O-OG1 2.63Å
463L40.2Very low42.5Very low120 Ų120115.5 Ų115.563%0.62861%0.608SS**Hα-helixtrans-92.6-30.7171.4-138.388000112.3Q461 T466 L467Q461-L463 PolarHBondContact O-N 2.99Å; L463-T466 PolarHBondContact O-OG1 3.32Å; L463-L467 WeakPolarHBondContact O-CG 3.35Å; L463-L467 PolarHBondContact O-N 3.41Å
464G42.7Very low43.4Very low42 Ų42107.6 Ų107.643%0.43358%0.583SS.*Hα-helixtrans-66.9-51.9174.900000110.8Q461 T466 L467 N468Q461-G464 PolarHBondContact O-N 3.14Å; G464-T466 VanDerWaalsContact C-N 3.29Å; G464-T466 PolarHBondContact O-N 2.73Å; G464-L467 PolarHBondContact O-N 3.31Å; G464-L467 VanDerWaalsContact O-N 3.09Å; G464-N468 WeakPolarHBondContact O-CB 3.36Å; G464-N468 PolarHBondContact O-N 3.4Å
465D43.8Very low44.2Very low107 Ų107101.5 Ų101.557%0.57255%0.547SS*.Hα-helixtrans-55.5-42.8-178.5-51.4-41.4000112.3Q461 H469Q461-D465 PolarHBondContact O-N 3.46Å; D465-H469 WeakPolarHBondContact O-CB 3.02Å; D465-H469 PolarHBondContact O-N 3.29Å
466T46.7Very low45.1Very low74 Ų7496.5 Ų96.545%0.45453%0.533SS..Hα-helixtrans-68.1-37.2178.746.70000113.2K462 L463 G464 Q470K462-T466 PolarHBondContact O-OG1 2.63Å; L463-T466 PolarHBondContact O-OG1 3.32Å; G464-T466 VanDerWaalsContact C-N 3.29Å; G464-T466 PolarHBondContact O-N 2.73Å; T466-Q470 WeakPolarHBondContact O-CB 3.48Å; T466-Q470 WeakPolarHBondContact O-CG 3.32Å; T466-Q470 PolarHBondContact O-N 2.66Å
467L50.6Low46.1Very low82 Ų8294.8 Ų94.843%0.42952%0.519SS..Hα-helixtrans-76.7-35.2178-71.8172.4000111.6L463 G464 Q470 F471L463-L467 WeakPolarHBondContact O-CG 3.35Å; L463-L467 PolarHBondContact O-N 3.41Å; G464-L467 PolarHBondContact O-N 3.31Å; G464-L467 VanDerWaalsContact O-N 3.09Å; L467-Q470 PolarHBondContact O-N 2.91Å; L467-F471 WeakPolarHBondContact O-CB 3.42Å; L467-F471 PolarHBondContact O-N 2.8Å
468N48.8Very low46.8Very low53 Ų5390.4 Ų90.428%0.28350%0.495SS..Hα-helixtrans-65-43.5175.4-148.114.3000110.3G464 F471 E472G464-N468 WeakPolarHBondContact O-CB 3.36Å; G464-N468 PolarHBondContact O-N 3.4Å; N468-F471 PolarHBondContact O-N 3.36Å; N468-E472 VanDerWaalsContact O-CB 3.31Å; N468-E472 WeakPolarHBondContact O-CB 3.46Å; N468-E472 PolarHBondContact O-N 2.82Å
469H52.5Low47.5Very low123 Ų12386.8 Ų86.857%0.56947%0.468SS*.Hα-helixtrans-66.9-37.2174.5-162.7-18.4000112.5D465 T473D465-H469 WeakPolarHBondContact O-CB 3.02Å; D465-H469 PolarHBondContact O-N 3.29Å; H469-T473 WeakPolarHBondContact O-CB 3.37Å; H469-T473 PolarHBondContact O-N 3.15Å; H469-T473 PolarHBondContact O-OG1 2.99Å; H469-T473 VanDerWaalsContact O-OG1 3.04Å
470Q49.7Very low47.8Very low128 Ų12882.9 Ų82.960%0.59845%0.445SS*.Hα-helixtrans-63.5-42.2172.1-71.1-107.1-97.700111.9T466 L467 T473 V474T466-Q470 WeakPolarHBondContact O-CB 3.48Å; T466-Q470 WeakPolarHBondContact O-CG 3.32Å; T466-Q470 PolarHBondContact O-N 2.66Å; L467-Q470 PolarHBondContact O-N 2.91Å; Q470-T473 PolarHBondContact O-N 2.87Å; Q470-V474 VanDerWaalsContact O-CG2 3.32Å; Q470-V474 WeakPolarHBondContact O-CG2 3.48Å; Q470-V474 PolarHBondContact O-N 2.82Å
471F53.8Low48Very low18 Ų1884 Ų848%0.07944%0.438CS..Hα-helixtrans-67.8-40.5177.5-178.9-87000112L467 N468 V474 C475 Q892 F940L467-F471 WeakPolarHBondContact O-CB 3.42Å; L467-F471 PolarHBondContact O-N 2.8Å; N468-F471 PolarHBondContact O-N 3.36Å; F471-V474 PolarHBondContact O-N 2.78Å; F471-C475 WeakPolarHBondContact CE1-SG 3.41Å; F471-C475 WeakPolarHBondContact O-CB 3.42Å; F471-C475 PolarHBondContact O-N 2.75Å; F471-C475 PolarHBondContact O-SG 2.93Å; F471-Q892 HydrophobicContact CD2-CB 4.09Å; F471-Q892 HydrophobicContact CD2-CG 3.98Å; F471-Q892 HydrophobicContact CE2-CB 4.1Å; F471-Q892 HydrophobicContact CE2-CG 4.3Å; F471-F940 AromaticContact CD1-CD2 3.8Å; F471-F940 HydrophobicContact CD1-CD2 3.8Å; F471-F940 AromaticContact CD1-CE2 3.31Å; F471-F940 HydrophobicContact CD1-CE2 3.31Å; F471-F940 AromaticContact CD1-CZ 3.73Å; F471-F940 HydrophobicContact CD1-CZ 3.73Å; F471-F940 HydrophobicContact CE1-CD1 4.43Å; F471-F940 AromaticContact CE1-CD2 3.32Å; F471-F940 HydrophobicContact CE1-CD2 3.32Å; F471-F940 HydrophobicContact CE1-CE1 4.45Å; F471-F940 AromaticContact CE1-CE2 3.38Å; F471-F940 HydrophobicContact CE1-CE2 3.38Å; F471-F940 AromaticContact CE1-CG 3.91Å; F471-F940 HydrophobicContact CE1-CG 3.91Å; F471-F940 AromaticContact CE1-CZ 3.97Å; F471-F940 HydrophobicContact CE1-CZ 3.97Å; F471-F940 HydrophobicContact CG-CE2 4.49Å; F471-F940 HydrophobicContact CZ-CD2 4.28Å
472E55.3Low48.3Very low73 Ų7382.5 Ų82.534%0.34144%0.439SS..Hα-helixtrans-62.3-44174.3-163.2151-119.700110.1N468 C475 E476 Q944N468-E472 VanDerWaalsContact O-CB 3.31Å; N468-E472 WeakPolarHBondContact O-CB 3.46Å; N468-E472 PolarHBondContact O-N 2.82Å; E472-C475 WeakPolarHBondContact O-CB 3.16Å; E472-C475 PolarHBondContact O-N 3.36Å; E472-E476 WeakPolarHBondContact O-CB 3.49Å; E472-E476 WeakPolarHBondContact O-CG 3.45Å; E472-E476 PolarHBondContact O-N 3.21Å; E472-Q944 PolarHBondContact OE1-NE2 2.99Å
473T56.1Low48.2Very low57 Ų5782.8 Ų82.835%0.3544%0.443SS..Hα-helixtrans-65.9-36.7172.7-61.10000113.7H469 Q470 C475 E476 T477H469-T473 WeakPolarHBondContact O-CB 3.37Å; H469-T473 PolarHBondContact O-N 3.15Å; H469-T473 PolarHBondContact O-OG1 2.99Å; H469-T473 VanDerWaalsContact O-OG1 3.04Å; Q470-T473 PolarHBondContact O-N 2.87Å; T473-C475 VanDerWaalsContact C-N 3.34Å; T473-E476 PolarHBondContact O-N 3.03Å; T473-T477 WeakPolarHBondContact O-CG2 3.48Å; T473-T477 PolarHBondContact O-N 3.34Å; T473-T477 PolarHBondContact O-OG1 2.92Å
474V51.1Low48.3Very low61 Ų6180.4 Ų80.437%0.3744%0.436SS..Hα-helixtrans-68-34.8174.31670000111.4Q470 F471 T477 M478Q470-V474 VanDerWaalsContact O-CG2 3.32Å; Q470-V474 WeakPolarHBondContact O-CG2 3.48Å; Q470-V474 PolarHBondContact O-N 2.82Å; F471-V474 PolarHBondContact O-N 2.78Å; V474-T477 PolarHBondContact O-OG1 2.85Å; V474-M478 HydrophobicContact CG1-CE 3.89Å; V474-M478 WeakPolarHBondContact O-CB 3.24Å; V474-M478 WeakPolarHBondContact O-CG 3.49Å; V474-M478 PolarHBondContact O-N 3.45Å
475C49Very low48Very low23 Ų2387.2 Ų87.216%0.15546%0.457CS..Hα-helixtrans-68.4-43.7170.1-70.40000111.5F471 E472 T473 T477 F479F471-C475 WeakPolarHBondContact CE1-SG 3.41Å; F471-C475 WeakPolarHBondContact O-CB 3.42Å; F471-C475 PolarHBondContact O-N 2.75Å; F471-C475 PolarHBondContact O-SG 2.93Å; E472-C475 WeakPolarHBondContact O-CB 3.16Å; E472-C475 PolarHBondContact O-N 3.36Å; T473-C475 VanDerWaalsContact C-N 3.34Å; C475-T477 VanDerWaalsContact C-N 3.35Å; C475-T477 PolarHBondContact O-N 2.94Å; C475-F479 HydrophobicContact CB-CD2 3.9Å; C475-F479 HydrophobicContact CB-CE2 4.14Å; C475-F479 WeakPolarHBondContact O-CA 3.48Å; C475-F479 VanDerWaalsContact O-CB 3.23Å; C475-F479 WeakPolarHBondContact O-CB 3.37Å; C475-F479 WeakPolarHBondContact O-CD2 3.47Å; C475-F479 PolarHBondContact O-N 3.21Å
476E51Low47.7Very low130 Ų13086.5 Ų86.561%0.60747%0.466SS*.Hα-helixtrans-65.7-33.3178.2-75.3-179.1141.600112.6E472 T473 G480E472-E476 WeakPolarHBondContact O-CB 3.49Å; E472-E476 WeakPolarHBondContact O-CG 3.45Å; E472-E476 PolarHBondContact O-N 3.21Å; T473-E476 PolarHBondContact O-N 3.03Å; E476-G480 WeakPolarHBondContact O-CA 3.46Å; E476-G480 PolarHBondContact O-N 3.48Å
477T54.3Low47.5Very low63 Ų6389 Ų8939%0.38748%0.481SS..Hα-helixtrans-73.5-59171.254.90000111.2T473 V474 C475 F479 G480 E481T473-T477 WeakPolarHBondContact O-CG2 3.48Å; T473-T477 PolarHBondContact O-N 3.34Å; T473-T477 PolarHBondContact O-OG1 2.92Å; V474-T477 PolarHBondContact O-OG1 2.85Å; C475-T477 VanDerWaalsContact C-N 3.35Å; C475-T477 PolarHBondContact O-N 2.94Å; T477-F479 VanDerWaalsContact C-N 3.25Å; T477-F479 PolarHBondContact O-N 3.49Å; T477-F479 VanDerWaalsContact O-N 3.16Å; T477-G480 PolarHBondContact O-N 3.34Å; T477-E481 WeakPolarHBondContact O-CB 3.3Å; T477-E481 WeakPolarHBondContact O-CG 3.4Å; T477-E481 PolarHBondContact O-N 3.32Å
478M49.1Very low46.9Very low79 Ų7994.3 Ų94.339%0.38950%0.503SS..Hα-helixtrans-65.2-23-174.8-66.9-141.3-134.600114.6V474 E899V474-M478 HydrophobicContact CG1-CE 3.89Å; V474-M478 WeakPolarHBondContact O-CB 3.24Å; V474-M478 WeakPolarHBondContact O-CG 3.49Å; V474-M478 PolarHBondContact O-N 3.45Å; M478-E899 VanDerWaalsContact CE-CD 3.46Å; M478-E899 HydrophobicContact CE-CG 4.38Å; M478-E899 VanDerWaalsContact CE-OE1 3.31Å; M478-E899 WeakPolarHBondContact CE-OE1 3.38Å
479F50.4Low46.1Very low50 Ų5096 Ų9622%0.21953%0.525CS..Hα-helixtrans-110-20.8177.4-53-59.3000114.1C475 T477 M932 Q937C475-F479 HydrophobicContact CB-CD2 3.9Å; C475-F479 HydrophobicContact CB-CE2 4.14Å; C475-F479 WeakPolarHBondContact O-CA 3.48Å; C475-F479 VanDerWaalsContact O-CB 3.23Å; C475-F479 WeakPolarHBondContact O-CB 3.37Å; C475-F479 WeakPolarHBondContact O-CD2 3.47Å; C475-F479 PolarHBondContact O-N 3.21Å; T477-F479 VanDerWaalsContact C-N 3.25Å; T477-F479 PolarHBondContact O-N 3.49Å; T477-F479 VanDerWaalsContact O-N 3.16Å; F479-M932 HydrophobicContact CE1-CB 4.49Å; F479-M932 HydrophobicContact CZ-CB 4.09Å; F479-Q937 HydrophobicContact CD2-CG 4.35Å; F479-Q937 HydrophobicContact CE2-CG 4.23Å
480G43.5Very low45.3Very low25 Ų2598.5 Ų98.526%0.25854%0.541SS..Hα-helixtrans-82.3-28.4174.400000113.6E476 T477 V482 E483 S484E476-G480 WeakPolarHBondContact O-CA 3.46Å; E476-G480 PolarHBondContact O-N 3.48Å; T477-G480 PolarHBondContact O-N 3.34Å; G480-V482 VanDerWaalsContact C-N 3.26Å; G480-V482 PolarHBondContact O-N 2.8Å; G480-E483 PolarHBondContact O-N 2.83Å; G480-E483 VanDerWaalsContact O-N 3.16Å; G480-S484 WeakPolarHBondContact O-CB 3.48Å; G480-S484 PolarHBondContact O-N 3.15Å; G480-S484 PolarHBondContact O-OG 3.14Å
481E41.2Very low44.7Very low132 Ų13299.9 Ų99.962%0.61755%0.553SS**Hα-helixtrans-62.9-33.8173.2-75.3179.5169.900111.8T477 E483 S484 Q485T477-E481 WeakPolarHBondContact O-CB 3.3Å; T477-E481 WeakPolarHBondContact O-CG 3.4Å; T477-E481 PolarHBondContact O-N 3.32Å; E481-E483 VanDerWaalsContact C-N 3.28Å; E481-E483 PolarHBondContact O-N 2.78Å; E481-S484 PolarHBondContact O-N 2.92Å; E481-S484 VanDerWaalsContact O-N 3.07Å; E481-Q485 PolarHBondContact O-N 2.96Å
482V45.7Very low43.8Very low122 Ų122106.7 Ų106.774%0.73959%0.589SS**Hα-helixtrans-63.7-28.7174.8167.20000113.1G480G480-V482 VanDerWaalsContact C-N 3.26Å; G480-V482 PolarHBondContact O-N 2.8Å
483E37.2Very low43.1Very low176 Ų176108.4 Ų108.482%0.82261%0.607SS**Hα-helixtrans-92.1-15.6173.2-162162.3-14700112.3G480 E481G480-E483 PolarHBondContact O-N 2.83Å; G480-E483 VanDerWaalsContact O-N 3.16Å; E481-E483 VanDerWaalsContact C-N 3.28Å; E481-E483 PolarHBondContact O-N 2.78Å
484S41.3Very low42.5Very low70 Ų70109.6 Ų109.649%0.4963%0.631SS.*Hα-helixtrans-92.9-19.1-179-56.50000114.4G480 E481 A486 V487G480-S484 WeakPolarHBondContact O-CB 3.48Å; G480-S484 PolarHBondContact O-N 3.15Å; G480-S484 PolarHBondContact O-OG 3.14Å; E481-S484 PolarHBondContact O-N 2.92Å; E481-S484 VanDerWaalsContact O-N 3.07Å; S484-A486 PolarHBondContact O-N 2.71Å; S484-V487 PolarHBondContact O-N 3.23Å
485Q36Very low41.9Very low185 Ų185112.1 Ų112.186%0.86465%0.646SS**THydrogen-bonded Turntrans-71.833.8-179-153176.744.900114.6E481E481-Q485 PolarHBondContact O-N 2.96Å
486A38.1Very low41Very low93 Ų93120.6 Ų120.677%0.76968%0.681SS**THydrogen-bonded Turntrans-124.60.217000000113.1S484S484-A486 PolarHBondContact O-N 2.71Å
487V42.4Very low40.4Very low125 Ų125125.7 Ų125.776%0.75869%0.694SS**SBendtrans-119.8-5-170.4-159.50000113.9S484S484-V487 PolarHBondContact O-N 3.23Å
488E39.1Very low39.8Very low194 Ų194128.8 Ų128.891%0.90771%0.713SS**SBendtrans-113.353.4-178.4-158.3173.6-162.400113
489A32.4Very low39.5Very low89 Ų89135.1 Ų135.174%0.73673%0.733SS**SBendtrans-136.28.6-179.800000115
490L34.7Very low38.6Very low175 Ų175138 Ų13892%0.91676%0.759SS**  trans-147.293.6174.5-73.8179.1000111.2
491D36.6Very low39Very low157 Ų157141.9 Ų141.984%0.8477%0.77SS**  trans-124.9117.8159.3-170.318.6000110.3
492L36Very low39.1Very low161 Ų161139.5 Ų139.584%0.84377%0.768SS**  trans-149.3151.1175-87.3-178000108.6
493P39Very low38.9Very low109 Ų109142.6 Ų142.671%0.70877%0.768SS**  trans-80.7146.5-135.127.8-37.3000116.2V495P493-V495 PolarHBondContact O-N 3.19Å
494G44.1Very low39.5Very low83 Ų83138.8 Ų138.886%0.85676%0.756SS**  trans-72.2107.6-17600000116
495V38.8Very low39.9Very low114 Ų114142.4 Ų142.469%0.69176%0.759SS**  trans-139121.6153-148.40000104.8P493P493-V495 PolarHBondContact O-N 3.19Å
496F29.1Very low40.7Very low200 Ų200137.4 Ų137.488%0.87775%0.749SS**  -150.4164.660.6-103-90.2000115
497R38.6Very low41.3Very low238 Ų238139.2 Ų139.290%0.89875%0.745SS**  trans-84.2163.9176.9-73.6179165-162.4-4.7113.4
498T43.4Very low41.5Very low127 Ų127141.2 Ų141.278%0.77975%0.746SS**  trans-59.5160.6-178.257.80000116.9
499R40.8Very low41.5Very low213 Ų213136 Ų13680%0.80474%0.736SS**  trans85.1124.4159.2-64.8-176.3168-140.6-1.3118.5
500S32.8Very low41.7Very low110 Ų110134.7 Ų134.777%0.76973%0.731SS**  -122.5158.9127.875.50000109.3
501H51.9Low41.8Very low107 Ų107132.3 Ų132.350%0.49573%0.728SS.*  trans-121.850.2-155.4-172.242.7000112.8R505H501-R505 PolarHBondContact CD2-NH2 3.04Å; H501-R505 VanDerWaalsContact CD2-NH2 3.3Å; H501-R505 PolarHBondContact O-NE 2.91Å; H501-R505 PolarHBondContact O-NH2 3.25Å
502S43.1Very low41.9Very low81 Ų81129.5 Ų129.557%0.56672%0.72SS**  trans-103.2-53.4-175.451.50000113.5V504 R505S502-V504 VanDerWaalsContact C-N 3.32Å; S502-V504 PolarHBondContact O-N 3Å; S502-V504 VanDerWaalsContact O-N 3.15Å; S502-R505 PolarHBondContact O-N 3.04Å; S502-R505 VanDerWaalsContact O-N 3.08Å
503Y42.4Very low41.9Very low188 Ų188128.5 Ų128.574%0.73771%0.712SS**G310 helixtrans-54-40.4-167.7-170.5-108.7000114.7R505 A506Y503-R505 VanDerWaalsContact C-N 3.32Å; Y503-R505 PolarHBondContact O-N 3.15Å; Y503-A506 PolarHBondContact O-N 3.06Å
504V48.9Very low41.5Very low95 Ų95131.6 Ų131.658%0.57672%0.722SS**G310 helixtrans-67.2-29.7-177.1-178.50000112.8S502S502-V504 VanDerWaalsContact C-N 3.32Å; S502-V504 PolarHBondContact O-N 3Å; S502-V504 VanDerWaalsContact O-N 3.15Å
505R50.7Low41Very low146 Ų146133.1 Ų133.155%0.55171%0.711SS**G310 helixtrans-79.4-22.5-179.8-80.4-177.6-78.9-149.50.5113.5H501 S502 Y503 I507 Q508 A509H501-R505 PolarHBondContact CD2-NH2 3.04Å; H501-R505 VanDerWaalsContact CD2-NH2 3.3Å; H501-R505 PolarHBondContact O-NE 2.91Å; H501-R505 PolarHBondContact O-NH2 3.25Å; S502-R505 PolarHBondContact O-N 3.04Å; S502-R505 VanDerWaalsContact O-N 3.08Å; Y503-R505 VanDerWaalsContact C-N 3.32Å; Y503-R505 PolarHBondContact O-N 3.15Å; R505-I507 PolarHBondContact O-N 3.43Å; R505-I507 VanDerWaalsContact O-N 3.14Å; R505-Q508 PolarHBondContact O-N 3.27Å; R505-Q508 VanDerWaalsContact O-N 3.16Å; R505-A509 PolarHBondContact O-N 3.46Å
506A51.3Low40.8Very low80 Ų80134.9 Ų134.966%0.66172%0.716SS**G310 helixtrans-65.7-12.5177.100000113.9Y503Y503-A506 PolarHBondContact O-N 3.06Å
507I50.5Low40.9Very low131 Ų131131.2 Ų131.267%0.67271%0.714SS**G310 helixtrans-96.7-11.8179.2-55.4177.4000111.6R505R505-I507 PolarHBondContact O-N 3.43Å; R505-I507 VanDerWaalsContact O-N 3.14Å
508Q46.5Very low40.6Very low167 Ų167127.5 Ų127.578%0.7871%0.711SS**THydrogen-bonded Turntrans-121-1.4-173.1-72.2-174.2-40.900115R505R505-Q508 PolarHBondContact O-N 3.27Å; R505-Q508 VanDerWaalsContact O-N 3.16Å
509A39.8Very low39.9Very low84 Ų84126.3 Ų126.369%0.69471%0.708SS**SBendtrans-13062.8-170.900000113.9R505R505-A509 PolarHBondContact O-N 3.46Å
510G36.6Very low39.6Very low62 Ų62121.3 Ų121.364%0.63970%0.701SS**  trans93.4159161.700000116.6
511C36.5Very low39.3Very low125 Ų125125.4 Ų125.485%0.84571%0.705SS**  cis-153.5171.6-2.9-114.70000113.8
512S38.7Very low38.1Very low98 Ų98125.3 Ų125.369%0.68572%0.717SS**  trans-39.9169155.760.30000113.9
513Q35.7Very low37.5Very low141 Ų141128.7 Ų128.766%0.65973%0.725SS**  cis-165.5144.126.7-166.1172.7-500110.2D515Q513-D515 WeakPolarHBondContact CG-OD2 3.37Å; Q513-D515 PolarHBondContact NE2-OD2 2.75Å
514D31.8Very low36.8Very low173 Ų173124.9 Ų124.993%0.92573%0.726SS**  trans-162.796.6160.1-90.7-43.5000107.4
515D34.2Very low35.8Very low116 Ų116123.8 Ų123.862%0.6273%0.734SS**  trans-97165.4-172.1-73.3-67.1000113.6Q513Q513-D515 WeakPolarHBondContact CG-OD2 3.37Å; Q513-D515 PolarHBondContact NE2-OD2 2.75Å
516D32.6Very low36.1Very low150 Ų150122.8 Ų122.880%0.80275%0.747SS**  trans58.192.6159.9-71.7-39.3000120.2
517C32.9Very low35.2Very low124 Ų124128.6 Ų128.684%0.83876%0.76SS**  -144.195.2129.7-1020000112.9
518L32.6Very low34.1Very low159 Ų159125.7 Ų125.783%0.83276%0.762SS**  trans6596.8149.5-52.2-179.9000119
519S27.3Very low33.4Very low102 Ų102123.1 Ų123.171%0.71376%0.763SS**  4.5145.8112.4-147.40000116.5
520V34.3Very low33.2Very low109 Ų109125.8 Ų125.866%0.66176%0.764SS**  cis-154.8165.846.1-153.40000113.7
521F26.8Very low33Very low195 Ų195132 Ų13286%0.85577%0.773SS**  trans91.688.3161.4-69.5-65.9000119.5
522S27.7Very low32.6Very low105 Ų105130.2 Ų130.273%0.73478%0.776SS**  trans-91.9-177.6155.7-172.20000111.1
523M29.7Very low32.2Very low153 Ų153129.1 Ų129.175%0.75478%0.781SS**  trans81.9100.1160.2-63.2-61.1-70.200121.3
524S28Very low32Very low108 Ų108127 Ų12776%0.75579%0.787SS**  70.8142.6121.671.30000122.8
525G27.3Very low32.2Very low72 Ų72125.5 Ų125.574%0.74278%0.784SS**  trans134.5110.2153.500000116.1
526P58.5Low32.3Very low125 Ų125129.4 Ų129.481%0.81280%0.796SS**  trans-92170.8165.636.7-33.3000112.7
527Q31.3Very low33.3Very low201 Ų201127.2 Ų127.294%0.93979%0.79SS**  trans76146.1-172.6-51.9-171.4-17.200114.7
528G28.5Very low33.2Very low70 Ų70131.7 Ų131.772%0.72279%0.791SS**  cis179.3-176.8-4.500000113
529S31.5Very low33.5Very low113 Ų113135.2 Ų135.279%0.7979%0.793SS**  trans18.5130.9160.2-145.60000119.1
530I33.9Very low33.6Very low141 Ų141140.6 Ų140.672%0.72380%0.803SS**  -170151.87843.9-175.4000115.2
531K33.6Very low33.4Very low192 Ų192138.5 Ų138.584%0.83580%0.804SS**  trans5591.4145.9-68175.2179.1179.30121.3
532G28.9Very low33.9Very low87 Ų87133.9 Ų133.990%0.89780%0.802SS**  50.1136.611100000122.9
533G29.5Very low34.6Very low76 Ų76134.9 Ų134.978%0.78481%0.806SS**  trans-176.235.1179.400000121
534A32Very low35Very low97 Ų97133.3 Ų133.380%0.80281%0.807SS**  trans63.6164.9158.700000122.5
535V34.5Very low35.8Very low140 Ų140134.4 Ų134.485%0.84881%0.811SS**  trans87.1118.1167.5-167.70000118.6
536F36.1Very low36.5Very low198 Ų198139.1 Ų139.187%0.86882%0.819SS**  trans-103.9178.9172.8-90-90.7000109.3
537P53.8Low35.5Very low104 Ų104138.8 Ų138.868%0.67582%0.816SS**  cis-140-160.217.648.2-29.5000113.8
538Y30.6Very low36.2Very low219 Ų219134.6 Ų134.686%0.85981%0.807SS**  cis-149.3154-6-135.1-63.1000108
539R39.1Very low36.6Very low232 Ų232141.9 Ų141.988%0.87581%0.813SS**  trans-90138.4161.9-58.8-168.8-158.8-90.110.3111.5
540K30.3Very low36.5Very low215 Ų215143.4 Ų143.494%0.93581%0.809SS**  trans-165.1159.3137.6-121.6170.5176.7176.30112
541G30.6Very low36.4Very low66 Ų66141 Ų14168%0.6881%0.805SS**  trans-114.2-163.6172.500000112.2
542A36.6Very low36.4Very low98 Ų98141.4 Ų141.481%0.8181%0.806SS**  trans73.4120.3-172.100000115.1
543P41.6Very low36.6Very low125 Ų125142.4 Ų142.481%0.81280%0.799SS**PPolyproline II helixtrans-80.5150.6170.933.3-33.7000111.9
544P39.9Very low36.7Very low121 Ų121144.9 Ų144.979%0.78681%0.805SS**PPolyproline II helixtrans-83.8162.9179.234.2-35.7000113.9
545P43.6Very low36.7Very low130 Ų130148 Ų14884%0.84481%0.807SS**PPolyproline II helixtrans-89173.1-172.436-37.6000116.1
546L41.4Very low36.4Very low172 Ų172147.3 Ų147.390%0.90181%0.808SS**PPolyproline II helixtrans-74.3151.7-172.5-58.4168.2000115.9
547P38.7Very low36.1Very low117 Ų117143.1 Ų143.176%0.7680%0.799SS**  trans-106.6155.8153.236.7-29.3000113.3
548P46.2Very low34.8Very low114 Ų114148.7 Ų148.774%0.7481%0.806SS**  trans-118.8-174.5-172.440.6-28.7000115.6
549R36.2Very low34.9Very low223 Ų223141.9 Ų141.984%0.84280%0.796SS**  trans91.3153.1168.6-61.5-176.4156.4133.3-2117
550M28.6Very low34.5Very low145 Ų145138.4 Ų138.471%0.71479%0.789SS**  cis-163.6169.1-16.2-112.3167.966.100112.5
551S32.2Very low34.5Very low90 Ų90132.9 Ų132.963%0.62978%0.778SS**  trans67.8121.1143.960.10000123.1
552K34.3Very low34.7Very low201 Ų201134.7 Ų134.787%0.87478%0.78SS**  53.7148.5123.4-63.7-178.3-178.8-178.20120.6
553S33.6Very low34.7Very low107 Ų107136.1 Ų136.175%0.74878%0.779SS**  cis167.9134.4-29.649.50000107.6
554S30.5Very low34.4Very low128 Ų128137 Ų13790%0.89577%0.772SS**  trans-149.9151.5163.755.90000112
555L33.3Very low34.2Very low163 Ų163134.9 Ų134.985%0.85376%0.76SS**  trans-112.2151.4-175.9-93.2157.1000110.7V557L555-V557 HydrophobicContact CD2-CG2 4.08Å
556S27.1Very low33.8Very low125 Ų125133.3 Ų133.387%0.87475%0.748SS**  trans-147.5143154.8-1710000109.1
557V30.3Very low33.4Very low110 Ų110130.8 Ų130.867%0.66773%0.732SS**  trans-142.4118.9-163177.80000112.8L555L555-V557 HydrophobicContact CD2-CG2 4.08Å
558R26.8Very low32.9Very low221 Ų221133.2 Ų133.283%0.83474%0.738SS**  trans-179.9152.4142.1-106.2176.7177.290.6-1109.3
559A33.2Very low32.3Very low77 Ų77131.9 Ų131.964%0.63674%0.737SS**  cis-134.8148-3.100000108.4
560Q30.4Very low31.7Very low158 Ų158132.5 Ų132.574%0.73874%0.741SS**  39.8129.392.2-46.9-178.2-96.100113.9
561S28.7Very low31.8Very low100 Ų100134.5 Ų134.570%0.69975%0.746SS**  cis-155.3148.38140000109
562S35.5Very low31.6Very low104 Ų104138 Ų13873%0.72775%0.753SS**  63.1142.370.4-36.10000112.5
563T36.5Very low31.2Very low127 Ų127134.3 Ų134.378%0.77975%0.752SS**  cis-156.8171.73-11.90000107.1
564E35Very low31Very low145 Ų145133 Ų13368%0.67876%0.755SS**  cis-157.7-173.84.6-157-172.592.500108.9T566E564-T566 WeakPolarHBondContact OE1-CB 3.37Å; E564-T566 VanDerWaalsContact OE1-CG2 3.32Å; E564-T566 WeakPolarHBondContact OE1-CG2 3.47Å; E564-T566 PolarHBondContact OE1-OG1 3.46Å
565S37.1Very low30.9Very low75 Ų75130.9 Ų130.952%0.52475%0.753SS.*  trans-131.7131.1151.594.30000110.1R421R421-S565 PolarHBondContact NH2-OG 3.38Å; R421-S565 VanDerWaalsContact NH2-OG 3.09Å
566T33.5Very low30.6Very low97 Ų97131.6 Ų131.660%0.59575%0.752SS**  trans-141.1167.6168.112.30000112.1R420 E564R420-T566 PolarHBondContact NH1-O 2.89Å; R420-T566 PolarHBondContact NH2-O 2.97Å; E564-T566 WeakPolarHBondContact OE1-CB 3.37Å; E564-T566 VanDerWaalsContact OE1-CG2 3.32Å; E564-T566 WeakPolarHBondContact OE1-CG2 3.47Å; E564-T566 PolarHBondContact OE1-OG1 3.46Å
567Q32.9Very low30.7Very low119 Ų119134.8 Ų134.856%0.55676%0.756SS**  trans-148.4125176.7-155.2161.4-23.200104.7R420R420-Q567 VanDerWaalsContact NH1-CD 3.3Å
568D28.9Very low30.8Very low169 Ų169133.7 Ų133.790%0.90476%0.759SS**  trans-164.4157.4157.5-104.7-38.8000110.3
569A33.2Very low31.3Very low86 Ų86129.6 Ų129.671%0.71176%0.76SS**  trans-120.4120.8175.500000109
570Y25.2Very low31Very low236 Ų236129.8 Ų129.893%0.92577%0.77SS**  trans-139.3152.2167.3-121.2-91.1000110.8
571F29.8Very low30.9Very low186 Ų186129.2 Ų129.282%0.81678%0.777SS**  trans-99.2163.8-168.1-114.5-84.5000113
572Q27.2Very low30.7Very low165 Ų165127.7 Ų127.777%0.77178%0.778SS**  trans73.3113.3157.4-71.7-174.815.300120.8
573S26.8Very low30.4Very low123 Ų123134.5 Ų134.586%0.8679%0.788SS**  86.7145.2121790000120.7
574G29.1Very low30.4Very low79 Ų79133.6 Ų133.681%0.81478%0.784SS**  trans-170.4129.5165.300000109
575G27.8Very low30.2Very low83 Ų83134.9 Ų134.986%0.85679%0.787SS**  trans111.286.2-179.100000114
576Q28Very low29.9Very low179 Ų179138.2 Ų138.284%0.83680%0.795SS**  trans-78.7139.4167.7-62.5177.410.900110.7
577M28.9Very low29.5Very low191 Ų191141 Ų14194%0.94180%0.801SS**  trans-135.8141.9135.2-81.3-60.6167.100107.9
578A31.7Very low29.2Very low88 Ų88140.1 Ų140.173%0.72781%0.807SS**  trans-108.4-161.3-170.900000111.4
579P38.8Very low29.1Very low134 Ų134138.8 Ų138.887%0.8780%0.801SS**  -112.9154.6-88.935.4-24000112.8
580G26.9Very low28.8Very low82 Ų82139.4 Ų139.485%0.84580%0.8SS**  trans-140.698.1-174.600000114.3
581T27.4Very low29.1Very low145 Ų145135.4 Ų135.489%0.8979%0.793SS**  trans-71.912617946.90000114.3
582G25.6Very low29.3Very low69 Ų69133.1 Ų133.171%0.71179%0.789SS**  75122.6117.800000122
583R29Very low29.4Very low246 Ų246133.4 Ų133.493%0.92880%0.795SS**  trans67.8-174.3152.6-58.3-174.5153.6-146.8-2114.9
584P36.6Very low29.7Very low109 Ų109131.1 Ų131.171%0.70879%0.791SS**  -134.8174.5-86.142.4-26.3000115.6
585K29Very low30.2Very low171 Ų171131.4 Ų131.474%0.74379%0.793SS**  trans48.7122.3149.1-89.3-170.1166.1-164.10120.4
586Q30.6Very low30.4Very low145 Ų145133.3 Ų133.368%0.67879%0.794SS**  trans71.5157.1147.7-57.4179.3-96.100114
587H26.8Very low30.6Very low156 Ų156134 Ų13472%0.72280%0.797SS**  cis-141.3164.225.5-76.1-108.6000113.8
588S26.5Very low30.5Very low100 Ų100128.2 Ų128.270%0.69979%0.786SS**  trans67.1143.8149.3-77.60000118.8
589N26.6Very low31.5Very low142 Ų142130.5 Ų130.576%0.75979%0.794SS**  cis-143.2138.9-1.3-86-29.7000107.6
590S27.2Very low30.9Very low99 Ų99130.2 Ų130.269%0.69280%0.795SS**  72.3130.296.1-155.50000116.4
591I30.2Very low31.1Very low152 Ų152129.7 Ų129.778%0.77979%0.79SS**  trans71.7130.3168.7-62.6157.1000114.7
592D33.5Very low31.1Very low138 Ų138134.5 Ų134.574%0.73879%0.791SS**  cis-134.5-177.5-0.4-141.9-54.3000112.1
593L31.1Very low31.3Very low171 Ų171135.5 Ų135.590%0.89579%0.793SS**  trans-87.2163.9-151-66.7162000117.4
594G33.1Very low31.3Very low75 Ų75129.7 Ų129.777%0.77379%0.79SS**  trans-172171.9165.500000114.6
595G38.3Very low30.9Very low84 Ų84136.6 Ų136.687%0.86680%0.802SS**  trans83.1115.9155.800000119.5
596S32.9Very low31Very low124 Ų124132.1 Ų132.187%0.86780%0.804SS**  trans-155.8160.8144.772.50000111.2
597E31.5Very low30.9Very low193 Ų193128.1 Ų128.190%0.90280%0.802SS**  trans-83.3170.4177.4-56.8179.5101.400113.3
598G26.4Very low31Very low69 Ų69130.6 Ų130.671%0.71181%0.807SS**  trans91.5156.4142.700000117.7
599P52.6Low31Very low137 Ų137135.9 Ų135.989%0.8981%0.813SS**  trans-89.1131.4-179.334.1-32.7000112.5
600S26.7Very low30.9Very low128 Ų128134.8 Ų134.890%0.89581%0.812SS**  trans-152.5142.1152.2640000110.9
601G31.4Very low30.7Very low71 Ų71136.2 Ų136.273%0.73282%0.821SS**  trans-118.2124176.900000111.3
602R28.1Very low30.7Very low245 Ų245132.8 Ų132.893%0.92582%0.824SS**  trans-165.9108158-101152.6-171.9-138.10.5106.7
603A28.2Very low30.8Very low91 Ų91129.6 Ų129.675%0.75282%0.823SS**  70.2102.766.400000113.5
604S30.6Very low30.8Very low124 Ų124128 Ų12887%0.86782%0.823SS**  trans-174.4111138.7-85.10000113.3
605R28.6Very low30.6Very low254 Ų254127.8 Ų127.896%0.95882%0.82SS**SBendtrans-162.8112.3133.3-118.3-176.1-177.4-135.9-1110.7
606G30.8Very low30.3Very low76 Ų76135.9 Ų135.978%0.78483%0.825SS**  trans74.8134.1179.500000114.3
607G27.6Very low30.3Very low62 Ų62135.6 Ų135.664%0.63982%0.823SS**  cis69.1125.94.500000112
608Y30Very low30.3Very low208 Ų208137 Ų13782%0.81682%0.82SS**  cis-151.1124.921.336.8-97000107.9
609Y25.3Very low30.4Very low210 Ų210141.3 Ų141.382%0.82482%0.822SS**  85.6144.891.8-85-71.8000116.8
610T25.4Very low29.6Very low120 Ų120142.8 Ų142.874%0.73682%0.817SS**  trans72.2125.1149.844.30000122.7
611S22.4Very low30.1Very low129 Ų129141.3 Ų141.390%0.90281%0.806SS**  trans70.5145.7152.371.60000118
612G30Very low30Very low80 Ų80145.4 Ų145.483%0.82581%0.811SS**  trans160-4.6179.300000119.7
613G36.4Very low30Very low71 Ų71139 Ų13973%0.73280%0.804SS**  trans-89.4135.2149.900000107.3
614P31.3Very low30.8Very low138 Ų138138.9 Ų138.990%0.89680%0.803SS**  -147.7-165.154.542-22.6000115.2
615G28.5Very low31.4Very low69 Ų69140.1 Ų140.171%0.71180%0.795SS**  trans112.176.7159.100000115.5
616R32.4Very low31.5Very low254 Ų254133.8 Ų133.896%0.95879%0.79SS**  61.58683.1-70.3-170.8172.2-104.60.9116.4
617S31.3Very low31.5Very low119 Ų119136.2 Ų136.283%0.83278%0.784SS**  trans-154.7144146.6-174.60000107.8
618R31.8Very low31.4Very low222 Ų222138.6 Ų138.684%0.83878%0.783SS**  cis179.5152.7-30.3-140.1177.2178.9-178.7-1.4103.5
619Q28.2Very low31.4Very low159 Ų159131.9 Ų131.974%0.74378%0.777SS**  trans71.7116.1171.3-61.8-179.9-79.300118.5
620H35.9Very low32Very low169 Ų169128.6 Ų128.678%0.78278%0.778SS**  trans65.8139.6165.5-39.4-68.1000118.4
621S37.3Very low32.2Very low97 Ų97132.3 Ų132.368%0.67878%0.778SS**  cis-158.7121-28-86.40000108.2
622N30.1Very low32.8Very low156 Ų156128.7 Ų128.783%0.83476%0.761SS**  trans13.2115.9158.7-46.5-7.1000117.5
623S28.2Very low32.8Very low111 Ų111130.7 Ų130.778%0.77676%0.763SS**  cis62.7132.621.7-50.90000115.6
624A45.2Very low32.4Very low89 Ų89136.4 Ų136.474%0.73676%0.762SS**  cis-163.6106.3-10.100000111.2
625E42.3Very low32.3Very low149 Ų149136.2 Ų136.270%0.69675%0.749SS**  trans-140.8147.4-170.3-71.415112200109.2L627E625-L627 HydrophobicContact CB-CB 4.4Å; E625-L627 HydrophobicContact CG-CG 4.28Å; E625-L627 VanDerWaalsContact OE1-CD1 3.31Å; E625-L627 WeakPolarHBondContact OE1-CD1 3.48Å
626S32.1Very low32.5Very low122 Ų122139.8 Ų139.885%0.85375%0.751SS**  cis57.471-0.8-174.80000115.9
627L29.1Very low32.5Very low126 Ų126133.6 Ų133.666%0.6674%0.742SS**  trans-139.4168.9157.4-106.8-175.4000111.3E625E625-L627 HydrophobicContact CB-CB 4.4Å; E625-L627 HydrophobicContact CG-CG 4.28Å; E625-L627 VanDerWaalsContact OE1-CD1 3.31Å; E625-L627 WeakPolarHBondContact OE1-CD1 3.48Å
628D26.3Very low32.7Very low113 Ų113132.7 Ų132.760%0.60473%0.733SS**  trans-36.9146.4150-66.4-120.7000112.4R631D628-R631 IonicContact OD1-NH2 3.27Å; D628-R631 PolarHBondContact OD1-NH2 3.06Å
629G29.4Very low32.4Very low67 Ų67132.7 Ų132.769%0.69174%0.735SS**  cis140-165.6-1.600000112.1R631G629-R631 PolarHBondContact O-N 3.48Å; G629-R631 VanDerWaalsContact O-N 3.13Å
630V38.8Very low32.6Very low141 Ų141129 Ų12986%0.85574%0.739SS**  trans-76.596.5165.3177.30000109
631R29.1Very low32.2Very low197 Ų197124.6 Ų124.674%0.74374%0.739SS**  trans-153.6120.8148.2-113.2173-76.9-100.8-3108D628 G629D628-R631 IonicContact OD1-NH2 3.27Å; D628-R631 PolarHBondContact OD1-NH2 3.06Å; G629-R631 PolarHBondContact O-N 3.48Å; G629-R631 VanDerWaalsContact O-N 3.13Å
632G35.1Very low32.4Very low53 Ų53123.5 Ų123.555%0.54674%0.743SS.*  cis81.4147.813.300000111.1
633S30.7Very low32.8Very low122 Ų122122.8 Ų122.885%0.85375%0.747SS**  trans62.3136.8-139.9-55.20000111.4
634R28.2Very low32.9Very low191 Ų191120.9 Ų120.972%0.72175%0.745SS**  cis-137.8142.717.3-148171.1171-90.2-8.9110
635E29Very low32.2Very low134 Ų134123.8 Ų123.863%0.62675%0.753SS**  trans67.2151.4163.8-68.4155.5152.500116
636L31.3Very low31.8Very low144 Ų144120 Ų12075%0.75476%0.755SS**  cis-149.8155.3-5.5-118.4158.9000110.2
637V32.9Very low31.8Very low124 Ų124120.1 Ų120.175%0.75275%0.75SS**  trans-79.6124.1152.8169.40000105.9
638P36.6Very low31.9Very low100 Ų100125.2 Ų125.265%0.64976%0.76SS**  -137170.980.534.8-15000112.3
639Y23.6Very low32.1Very low223 Ų223123.9 Ų123.988%0.87577%0.765SS**  51.814359.3-112.8-87.1000114
640G33.9Very low32.2Very low81 Ų81129.1 Ų129.184%0.83577%0.769SS**  trans-65.1133.9-16300000115
641G26.2Very low31.9Very low76 Ų76129.7 Ų129.778%0.78476%0.762SS**  trans-122.1101.8167.500000111.3
642G41.4Very low31.9Very low74 Ų74125.3 Ų125.376%0.76376%0.762SS**  trans-76.3-176.7143.300000109.7
643P39.1Very low32Very low142 Ų142128.9 Ų128.992%0.92278%0.777SS**  cis-119.5-17310.540.5-27.1000112.6
644G30.1Very low32Very low71 Ų71128 Ų12873%0.73277%0.771SS**  trans16878.2173.500000117
645V31Very low32.4Very low149 Ų149123.7 Ų123.790%0.90378%0.776SS**  trans-26.8133.1161.8179.90000115.2
646G33.5Very low32.5Very low71 Ų71123.8 Ų123.873%0.73278%0.78SS**  trans-167.62.4-179.900000122.7
647V32.7Very low32.7Very low124 Ų124121.2 Ų121.275%0.75278%0.775SS**  trans27.9112.7163.8-166.50000119.6
648R30.5Very low32.7Very low232 Ų232122.8 Ų122.888%0.87578%0.778SS**  168.8146.2108.2-172.7163.4-77.6-136.4-2114.3
649A30.8Very low32.6Very low86 Ų86124.6 Ų124.671%0.71178%0.781SS**  trans76.2142.8162.100000119.3
650K30.8Very low32.8Very low176 Ų176122.1 Ų122.177%0.76578%0.778SS**  cis-159.9142.1-18.2-111.5-171.8176-174.20109
651H32.8Very low32.5Very low154 Ų154120.9 Ų120.971%0.71377%0.765SS**  trans28119.9161.8-47.4-65.7000119.8
652S29.8Very low34.2Very low105 Ų105123.4 Ų123.473%0.73477%0.767SS**  71.8133.151.183.90000114.9
653C36.2Very low34.4Very low128 Ų128125.3 Ų125.387%0.86577%0.767SS**  trans-69.3152.8176.249.80000113.2
654S30.8Very low33.9Very low104 Ų104129.4 Ų129.473%0.72776%0.764SS**  trans-166.9156.9147.5-164.80000111.1
655A37.7Very low34.5Very low100 Ų100131.6 Ų131.683%0.82677%0.765SS**  trans-150.6129.6157.400000106.9
656D30.3Very low34.4Very low135 Ų135129 Ų12972%0.72276%0.759SS**  trans-137.3109-164-127.9-44000113.4
657S36.4Very low34.1Very low91 Ų91136.1 Ų136.164%0.63676%0.764SS**  trans58.7146.2131.1-51.40000124.5
658L31.5Very low33.8Very low156 Ų156135.9 Ų135.982%0.81776%0.758SS**  trans75.1141.2163.1-42-176.6000117
659L34.9Very low33.7Very low138 Ų138134.9 Ų134.972%0.72375%0.754SS**  cis-167.7167.8-10.2-104.9173.8000106.3
660E28.7Very low33.5Very low172 Ų172137.3 Ų137.380%0.80476%0.755SS**  cis-152.3-141.63.2-160.3165.7103.100109.5
661G28Very low33.3Very low54 Ų54132.2 Ų132.256%0.55775%0.753SS**  trans-175.4-168.9174.200000113.1
662P60.8Low33.1Very low129 Ų129136.2 Ų136.284%0.83876%0.762SS**  cis-115.1-103-3.833.4-11.2000112.1
663P45.9Very low33.1Very low115 Ų115138 Ų13875%0.74777%0.768SS**  cis-120.4-89.4-11.335.5-14000116.9
664R28.8Very low32.8Very low228 Ų228135.9 Ų135.986%0.8677%0.768SS**  trans-162.7-179.7-167-52.1-172.5-154.9-162.96.8110.4
665P43Very low32.7Very low116 Ų116134.6 Ų134.675%0.75377%0.771SS**  -135.3180-55.139.2-22.5000114.8
666A27.3Very low32.3Very low94 Ų94133.6 Ų133.678%0.77777%0.771SS**  trans80.6153.3144.200000123.2
667R27.5Very low32.4Very low222 Ų222132.3 Ų132.384%0.83877%0.772SS**  trans81.8125.4151.9-93.2-158.6146.21344.3123.5
668D26.5Very low32.3Very low118 Ų118136.4 Ų136.463%0.63179%0.786SS**  45.6114.3124.4-70.4-39.6000121.2
669R28.9Very low32.3Very low212 Ų212132.6 Ų132.680%0.878%0.784SS**  84140.2115.1-175.4-178.4166.4176.3-2.3121.1
670D26.6Very low32.1Very low136 Ų136135.7 Ų135.773%0.72779%0.792SS**  trans64.4162.8161.8-84.6-40.8000119.1
671G27Very low32.2Very low70 Ų70132.6 Ų132.672%0.72279%0.789SS**  trans125.349.2136.100000121.7
672R28.3Very low32.2Very low237 Ų237134.6 Ų134.689%0.89480%0.795SS**  trans25.1137.3136.3-79.5-172.3178.2-154.81.5122
673V30.3Very low30.8Very low143 Ų143133.3 Ų133.387%0.86779%0.789SS**  trans79.6132.8136.1170.20000118.9
674G29.1Very low29.9Very low83 Ų83135.4 Ų135.486%0.85679%0.793SS**  trans171.852.5168.800000116.8
675G30.1Very low31.1Very low78 Ų78129.2 Ų129.280%0.80478%0.782SS**  trans164.4131.1173.500000114.7
676G28.9Very low30.5Very low79 Ų79131.4 Ų131.481%0.81478%0.782SS**  trans-90.5-170.8174.400000113.4
677S31.8Very low30.6Very low108 Ų108133 Ų13376%0.75578%0.778SS**  cis-164.51568.8-145.20000113.4
678L33.8Very low30.9Very low176 Ų176129.1 Ų129.192%0.92177%0.774SS**  trans62.9144.3155.2-65.7160.1000120.4
679G32.5Very low31.3Very low76 Ų76130.4 Ų130.478%0.78478%0.778SS**  trans127.6113168.300000114.3
680K30.3Very low31.3Very low203 Ų203127.2 Ų127.288%0.88378%0.775SS**  trans-137.9149.2172.7-78.7-173.6176.6-179.80111.6
681S29.8Very low31.4Very low107 Ų107126.5 Ų126.575%0.74878%0.776SS**  trans67132.2148.852.10000122.4
682S29.4Very low31.5Very low97 Ų97128.7 Ų128.768%0.67878%0.78SS**  trans72.2102.2132.264.80000123.2
683S30.1Very low31.6Very low101 Ų101126.6 Ų126.671%0.70678%0.777SS**  70.8142.8115.473.70000123.9
684L28.1Very low31.5Very low159 Ų159127.9 Ų127.983%0.83278%0.776SS**  trans76.4169.5159.2-62.3169.2000117.1
685P53.3Low31.5Very low98 Ų98127.1 Ų127.164%0.63677%0.768SS**  -143.6-171.9-56.542.5-26.1000116.4
686Q31.7Very low31.4Very low162 Ų162127 Ų12776%0.75777%0.767SS**  trans94.2147.7138.1-96.2-179.7-4.800126.1
687N29.6Very low31.4Very low129 Ų129131.3 Ų131.369%0.6977%0.766SS**  trans75.2102.8152-57.4-22.4000121.2
688N33.5Very low31.3Very low140 Ų140132.7 Ų132.775%0.74977%0.765SS**  cis74.4125.246.8-162.434000116.4
689M34Very low31.2Very low144 Ų144130 Ų13071%0.70975%0.751SS**  trans154.3152.1131.6-85.1-72.2-86.300118.3
690I29.2Very low31.2Very low145 Ų145129.3 Ų129.374%0.74474%0.744SS**  trans74.3149.9157.8-68152.6000119.1
691V28.7Very low31.4Very low122 Ų122129.4 Ų129.474%0.73974%0.739SS**  171.2130-56.8150.70000109.8
692S28.8Very low31.5Very low115 Ų115128.6 Ų128.680%0.80474%0.739SS**  trans173.7110.3141-82.20000117.1
693K30.2Very low31.7Very low193 Ų193127.5 Ų127.584%0.83974%0.735SS**  trans-1.2134136.3179.2-178.4-178.2179.80120
694M28.7Very low32Very low170 Ų170133.7 Ų133.784%0.83774%0.743SS**  171.7137.5111.1-173.256.8179.800115.3
695G28.6Very low32.4Very low67 Ų67134.6 Ų134.669%0.69174%0.74SS**  trans88.7132.8137.200000122.6
696G27.9Very low31.2Very low77 Ų77140.7 Ų140.779%0.79475%0.751SS**  108.656.111900000122.4
697Q28.9Very low31.7Very low169 Ų169142.9 Ų142.979%0.7975%0.752SS**  44141.9123.8-169.3167.41.600124.3
698D30Very low32.1Very low136 Ų136142.6 Ų142.673%0.72776%0.758SS**  trans64.3145.1159.1-78.5-159.2000120.3
699D32.5Very low32.2Very low120 Ų120140.9 Ų140.964%0.64276%0.757SS**  cis-153.9-175.4-19.8-174.311.8000106.6R701D699-R701 IonicContact OD1-NH2 3.51Å; D699-R701 PolarHBondContact OD1-NH2 2.9Å; D699-R701 IonicContact OD2-NH2 2.71Å
700G31.6Very low32Very low61 Ų61142.1 Ų142.163%0.62976%0.764SS**  trans132.49.7153.600000120
701R35.8Very low32Very low206 Ų206139.8 Ų139.878%0.77777%0.767SS**  trans51.8141.2151.2-118.8164.3-68.9-129.1-7.3122.2D699D699-R701 IonicContact OD1-NH2 3.51Å; D699-R701 PolarHBondContact OD1-NH2 2.9Å; D699-R701 IonicContact OD2-NH2 2.71Å
702A31.7Very low32Very low90 Ų90140.9 Ų140.974%0.74477%0.773SS**  trans59.1102.7156.700000118
703A32.8Very low31.9Very low73 Ų73142.9 Ų142.960%0.60377%0.77SS**  cis69.2142.129.700000115
704R35.8Very low31.8Very low232 Ų232140.5 Ų140.588%0.87577%0.771SS**  cis-161162.7-13.6-122.8-178.5-68.4-111.23.2109.3
705K37.3Very low31.8Very low177 Ų177138.2 Ų138.277%0.7776%0.762SS**  trans-97.8171.2163.3-68.9-175.7-179.81800110.6
706W27.4Very low31.8Very low227 Ų227140.5 Ų140.586%0.8677%0.768SS**  trans100.2161.3158.6-61.9105.1000119.7
707R41.9Very low31.9Very low207 Ų207141.3 Ų141.378%0.78176%0.761SS**  trans-68.5175.9-174.2-57.2166.3176.7-105.23111.9
708P39.5Very low31.7Very low124 Ų124141 Ų14181%0.80576%0.76SS**  -140.5172.5108.139.4-29000115
709S34.6Very low31.6Very low104 Ų104140.4 Ų140.473%0.72776%0.762SS**  trans-123.9146.8159.4-48.40000107.6
710I30.4Very low31.5Very low169 Ų169143 Ų14387%0.86778%0.775SS**  trans-168.2155161-107.9154000109.1
711A28.9Very low31.3Very low97 Ų97145.3 Ų145.380%0.80278%0.781SS**  trans-132150.4173.900000110.4
712V29Very low30.7Very low144 Ų144142.5 Ų142.587%0.87378%0.781SS**  trans-144146.6172.6-178.60000108.7
713Q26.6Very low30.7Very low158 Ų158142.4 Ų142.474%0.73878%0.775SS**  trans-118.9142.5-178.8170.6-167.3-4.800109.9D715Q713-D715 PolarHBondContact NE2-OD2 3.17Å
714V26.9Very low30.6Very low142 Ų142145.7 Ų145.786%0.86178%0.782SS**  trans-156.4149.7154.5150.60000108.1
715D30.5Very low30.5Very low122 Ų122140.3 Ų140.365%0.65278%0.776SS**  trans-109.9165.3-174.6-76.2-77.1000114.5Q713Q713-D715 PolarHBondContact NE2-OD2 3.17Å
716S28.2Very low30.2Very low116 Ų116140.8 Ų140.881%0.81178%0.781SS**  trans90.3149150.1-63.50000123.7
717S28.7Very low30.6Very low94 Ų94133.2 Ų133.266%0.65777%0.773SS**  trans82.293.7157.3-72.30000122.6
718E26.5Very low30.3Very low161 Ų161133 Ų13375%0.75278%0.778SS**  73.6125111.9-72.2166.711500123.4
719T27.4Very low29.9Very low125 Ų125131.4 Ų131.477%0.76778%0.775SS**  trans62.7119.7146.658.30000120.5
720L29.6Very low29.8Very low175 Ų175133.9 Ų133.992%0.91678%0.779SS**  -170145.5113.5-99.8170.9000110.5
721S27.1Very low29.9Very low108 Ų108131.5 Ų131.576%0.75577%0.773SS**  trans-91.4149.8168.7-540000110
722D24.6Very low29.8Very low147 Ų147134.6 Ų134.679%0.78677%0.771SS**  -169.5131.6100.6-128.1-11.3000115.9
723S31.5Very low29.9Very low88 Ų88132.8 Ų132.862%0.61576%0.759SS**  trans35.7150.8134.2-54.70000127.3
724D31.3Very low30Very low142 Ų142133 Ų13376%0.75976%0.76SS**  trans71.5128146-71.7-38.9000122
725T33.7Very low30.1Very low120 Ų120131.1 Ų131.174%0.73675%0.753SS**  -157.5140.357.526.30000115.4
726E30.3Very low30Very low186 Ų186130.5 Ų130.587%0.86975%0.749SS**  trans49.9138139.8-52.9-165.9121.100123.2
727G35.1Very low30.1Very low68 Ų68128.2 Ų128.270%0.70174%0.743SS**  trans-160.4-31.2-179.700000120.4
728K36.3Very low30.1Very low204 Ų204130.2 Ų130.289%0.88775%0.752SS**  trans71.9124.6-178.6-50.1150.7-1731730113.3
729A30.3Very low30.2Very low90 Ų90129 Ų12974%0.74475%0.746SS**  cis69.7133.630.500000114.2
730L33.9Very low30.4Very low156 Ų156129.5 Ų129.582%0.81775%0.748SS**  cis-147.6-150.2-4.6-115.7167.5000108.6
731T30.9Very low30.2Very low118 Ų118127.1 Ų127.172%0.72473%0.732SS**  cis-160.3179.916.2-25.30000112.4
732E28.4Very low30.3Very low163 Ų163129 Ų12976%0.76273%0.734SS**  trans-59.9177.5175-73.2-178.485.500119
733V30.5Very low30.4Very low105 Ų105128.6 Ų128.664%0.63673%0.728SS**  -166.7175.7-53.4-95.70000109.5
734H28.3Very low30.2Very low164 Ų164131.4 Ų131.476%0.75973%0.729SS**  trans98.8120.2155-67120.6000122.4
735S29.3Very low30.1Very low101 Ų101129.2 Ų129.271%0.70672%0.721SS**  trans36.4146.8138.560.80000122
736I28.7Very low30.1Very low109 Ų109133 Ų13356%0.55972%0.722SS**  -155.315861.4-77.3165.7000110.1
737G29.5Very low30.2Very low68 Ų68134.6 Ų134.670%0.70172%0.719SS**  trans-111.2162.4169.200000113.1
738V29.5Very low30Very low137 Ų137134.8 Ų134.883%0.8372%0.715SS**  trans-123.3128.6174.5175.80000110.7V740V738-V740 HydrophobicContact CG1-CG2 4.23Å
739Q28.6Very low29.8Very low134 Ų134135.9 Ų135.963%0.62671%0.713SS**  trans-112.1133173160.7-176.7-22.600107.2E741Q739-E741 HydrophobicContact CG-CG 4.39Å; Q739-E741 VanDerWaalsContact NE2-CD 3.27Å; Q739-E741 PolarHBondContact NE2-OE2 3.38Å
740V30.7Very low29.8Very low136 Ų136139.1 Ų139.182%0.82471%0.711SS**  trans-133.7110.7164.1179.30000107.4V738V738-V740 HydrophobicContact CG1-CG2 4.23Å
741E24.9Very low29.6Very low125 Ų125138.6 Ų138.658%0.58470%0.702SS**  trans-80.4156171.6-70.3148.3106.900110.8Q739Q739-E741 HydrophobicContact CG-CG 4.39Å; Q739-E741 VanDerWaalsContact NE2-CD 3.27Å; Q739-E741 PolarHBondContact NE2-OE2 3.38Å
742D30.1Very low29.8Very low149 Ų149143.2 Ų143.280%0.79771%0.706SS**  trans62.3162.9146.9-77.1-40.9000118.4
743E26.9Very low30Very low137 Ų137140.2 Ų140.264%0.6470%0.703SS**  cis-159.1170.929.3-151.1-160.83100113
744K27.1Very low30Very low147 Ų147143 Ų14364%0.63971%0.714SS**  trans49.8115.6149.2-87.6-172.3-167.687.40118.5
745T29.4Very low30.1Very low97 Ų97139.7 Ų139.760%0.59571%0.71SS**  -179.6149.981.534.10000115.1
746R34.2Very low30.3Very low199 Ų199141.4 Ų141.475%0.75172%0.716SS**  trans71.4142.5146.2-77.1175.6-86.4-149-6.2118.4
747R32.6Very low30.6Very low219 Ų219141.9 Ų141.983%0.82672%0.724SS**  cis-164.7146.3-16.1-130.3176.4-158.4-175.44.1112.3
748A30.8Very low31Very low73 Ų73143.1 Ų143.160%0.60373%0.727SS**  trans62.2124.2139.200000123.4
749R32.2Very low31.1Very low227 Ų227141.7 Ų141.786%0.85772%0.723SS**  64.9148.5130-61.5175.7177.4160-2.4117.8
750F28.8Very low31.3Very low158 Ų158142.5 Ų142.569%0.69374%0.737SS**  cis-162152.319.9-148.1-153.9000114.6
751K29.8Very low31.1Very low144 Ų144144.7 Ų144.763%0.62674%0.739SS**  trans56.3109.6146.8-82.1-171.8179.6176.60124.1
752R35.9Very low31.4Very low216 Ų216143.3 Ų143.382%0.81575%0.748SS**  76.3110.7108.7-76.9-170.3173.3-159.8-3.9123.6
753S32.7Very low31.4Very low99 Ų99142.8 Ų142.869%0.69275%0.746SS**  67.8130.1106.2-51.40000122.6
754N29.9Very low31.7Very low163 Ų163143.4 Ų143.487%0.87275%0.753SS**  -161-179.397.7-112.212.5000113.6
755S31.7Very low31.6Very low96 Ų96143.8 Ų143.867%0.67176%0.762SS**  trans-142.9157.8-160.854.90000114.6
756V32Very low32.5Very low136 Ų136145.1 Ų145.182%0.82477%0.772SS**  trans-173.5138.4146.6139.20000107.2
757T35.7Very low32.4Very low120 Ų120144.2 Ų144.274%0.73678%0.776SS**  cis104.173.31.178.40000120
758A38.4Very low32.2Very low93 Ų93137.5 Ų137.577%0.76978%0.775SS**  trans-160.3135.5146.100000109.5
759S31.1Very low32.1Very low107 Ų107142.9 Ų142.975%0.74879%0.785SS**  cis87.5115.618.884.20000117.1
760V32.1Very low32.9Very low152 Ų152137.9 Ų137.992%0.92178%0.782SS**  -176.7159.3128.6146.20000109
761Q28.1Very low32.9Very low182 Ų182134 Ų13485%0.8579%0.787SS**  trans-147.1132.3-161168-171.7-17.500111.4
762A30Very low33.1Very low95 Ų95135.4 Ų135.479%0.78580%0.8SS**  trans-168.1131.5157.200000107.3
763D29.8Very low32.7Very low139 Ų139130.5 Ų130.574%0.74380%0.8SS**  cis103.3146.723.7-16629.8000113.6
764L32.8Very low32.5Very low150 Ų150132.3 Ų132.379%0.78581%0.806SS**  trans84.9109.4173.8-51.9-179.4000121.1
765D26.5Very low32.3Very low155 Ų155128.6 Ų128.683%0.82980%0.798SS**  trans-58.4-176.2147.8-65.7-63.3000112.5
766P48.4Very low32.2Very low125 Ų125130.5 Ų130.581%0.81281%0.805SS**  cis-149.1-166.12145.2-22.2000119
767E32.1Very low33.2Very low179 Ų179129.3 Ų129.384%0.83680%0.8SS**  trans-71.7166.9-174.8-49.2174.9110.500116.4
768G28.2Very low32.9Very low79 Ų79129 Ų12981%0.81480%0.798SS**  trans-160.797.2175.700000115.7
769F29.1Very low32.4Very low185 Ų185132.8 Ų132.881%0.81180%0.8SS**  trans-70.8-174.7-173.5-106.8-61.8000115.9
770P48.9Very low32.1Very low122 Ų122133.1 Ų133.179%0.79279%0.793SS**  -118.6178.3-129.944.9-30.6000116.7
771G28.4Very low32.1Very low77 Ų77133.8 Ų133.879%0.79478%0.784SS**  trans-172.3128.116900000117.4
772L33.8Very low32Very low173 Ų173131 Ų13191%0.90678%0.784SS**  trans-63.5147178.6-64.1148.2000115.3
773S27Very low32.2Very low114 Ų114133.5 Ų133.580%0.79778%0.784SS**  160.315211354.40000117.4
774V28.3Very low32.3Very low137 Ų137134.2 Ų134.283%0.8378%0.782SS**  trans-0.6126.5150.5-172.50000116.8
775A26.2Very low32.1Very low84 Ų84136 Ų13669%0.69478%0.784SS**  cis113.9151.126.400000113.2
776V29.5Very low32.1Very low137 Ų137131.6 Ų131.683%0.8378%0.776SS**  trans74.7146.9167.8174.10000116.9
777P52.2Low31.1Very low111 Ų111131.8 Ų131.872%0.72178%0.779SS**  cis-110.9-137.1-12.122.62.9000111.9
778T30.6Very low30.9Very low112 Ų112127.9 Ų127.969%0.68777%0.771SS**  cis-162.4149.83.5-17.40000115
779Q28.2Very low30.8Very low173 Ų173133.2 Ų133.281%0.80877%0.772SS**  trans51.3118.3141.9-86176.51400127.7
780D24.8Very low30.8Very low114 Ų114131 Ų13161%0.6176%0.764SS**  77.8105.2121.3-106.1-109.4000127.6
781K31.8Very low30Very low167 Ų167133.9 Ų133.973%0.72676%0.759SS**  trans26.7120.6130.9-47.2-175.3-152.574.60121.9
782S25.7Very low30.3Very low122 Ų122137.3 Ų137.385%0.85375%0.754SS**  174.6168116.840.20000109.9
783L33.8Very low30Very low148 Ų148134.2 Ų134.278%0.77575%0.748SS**  cis173.6151.5-38.8-146.3158.8000104.2
784Q31.8Very low30Very low154 Ų154134.4 Ų134.472%0.7275%0.749SS**  trans81.8142.1173.1-51.1-175.63500116.6
785F28.9Very low30.1Very low187 Ų187136.2 Ų136.282%0.8275%0.748SS**  cis-159.4159.3-10.5-116.5-45.7000112.8
786G25.9Very low30.7Very low63 Ų63137.5 Ų137.565%0.64975%0.749SS**  trans94.1108.1162.400000116.2
787C27.7Very low30.5Very low130 Ų130138.9 Ų138.988%0.87875%0.747SS**  75138.366.8-73.80000114.9
788S28.1Very low29.4Very low97 Ų97138.8 Ų138.868%0.67875%0.749SS**  cis-171.21462.441.70000114.9
789F27.1Very low29.2Very low191 Ų191138.2 Ų138.284%0.83876%0.755SS**  trans66177147.2-82.6-124.8000120.3
790Q27.9Very low29.2Very low138 Ų138134.5 Ų134.565%0.64575%0.748SS**  -176132.9-68.4172.7167.6-71.400112.7
791R32.5Very low29.3Very low182 Ų182136.4 Ų136.469%0.68775%0.754SS**  trans61.9127.3157.8-77.5175-161-83.92.5122.5
792H33.9Very low29.2Very low149 Ų149138.2 Ų138.269%0.6976%0.757SS**  78.1137127.8-64-18000123
793S27.4Very low29.3Very low109 Ų109136.7 Ų136.776%0.76275%0.752SS**  trans101.1136.1143.5-62.70000121.5
794S28.1Very low28.9Very low117 Ų117138.4 Ų138.482%0.81876%0.756SS**  trans67.8129.2153.340.60000121.2
795E30.3Very low28.7Very low176 Ų176135.4 Ų135.482%0.82275%0.751SS**  trans-62.6159154.6-135.6-175.9113.600110.8
796P38.3Very low28.8Very low111 Ų111135.4 Ų135.472%0.72175%0.753SS**  -152.4156.186.140.1-22.2000117.7
797E25.7Very low29.1Very low166 Ų166143.7 Ų143.778%0.77677%0.765SS**  trans52.8139.4132.9-147.4-173.516200123.1
798S28.4Very low29.5Very low108 Ų108144.4 Ų144.476%0.75577%0.765SS**  trans101.7156.5141.683.80000121.6
799A26.6Very low29.6Very low100 Ų100146.2 Ų146.283%0.82677%0.772SS**  trans72.8112.2159.400000120.8
800S28.2Very low29.7Very low95 Ų95145.8 Ų145.866%0.66477%0.772SS**  trans-77.8172.8164.4590000114.3
801Q28.2Very low29.9Very low155 Ų155146.2 Ų146.272%0.72479%0.785SS**  trans91.1149.5171.2-52162.537.800113.7
802Y28.3Very low29.7Very low204 Ų204146.1 Ų146.180%0.879%0.792SS**  cis-149.315817.9-129.4-66.7000113.1
803A29.3Very low29.5Very low90 Ų90142.9 Ų142.974%0.74480%0.799SS**  trans66.1161.9158.500000116.8
804E25.1Very low29.5Very low185 Ų185145.2 Ų145.286%0.86480%0.798SS**  cis-150.4153.49.6178.9154.9-16000107.6
805C27.6Very low29.4Very low90 Ų90152.1 Ų152.161%0.60881%0.807SS**  cis-149.5162.713.239.50000111.7
806H29.6Very low29.3Very low188 Ų188147.4 Ų147.487%0.8780%0.798SS**  -172.6151.9117.7-106.6-81.3000111.2
807R32.2Very low28.6Very low236 Ų236153.4 Ų153.489%0.89181%0.808SS**  trans-86.5147.1-171.6-62170.9172.1162.5-4.9113.6
808T36.3Very low28.7Very low145 Ų145154.6 Ų154.689%0.8981%0.805SS**  trans-152.8151.9130.98.90000113.5
809V31.5Very low28.6Very low136 Ų136156.1 Ų156.182%0.82480%0.8SS**  trans-54.1153.9-167.4-72.60000119.4
810H27.7Very low28.6Very low181 Ų181158.5 Ų158.584%0.83880%0.799SS**  trans-67.4153.6159.3-82.49000113.1
811T31.8Very low28.6Very low148 Ų148160.5 Ų160.591%0.90880%0.802SS**  -135.4162.2128.8430000110.1
812Q28.3Very low28.6Very low179 Ų179160.3 Ų160.384%0.83680%0.804SS**  trans-110.3141.5-161.7-177.3-176.823.200112
813G30.3Very low28.6Very low82 Ų82158.5 Ų158.585%0.84580%0.803SS**  trans-151.287.2172.100000111.7
814Q28.7Very low28.4Very low158 Ų158157.8 Ų157.874%0.73880%0.804SS**  trans-106.8132.7168.3-81.1-165.8-11.800110.3
815W26Very low28.7Very low262 Ų262154.7 Ų154.799%0.99279%0.794SS**  trans-140.1109.8141.5-77.9107.5000107.7
816A26.5Very low28.7Very low77 Ų77160.8 Ų160.864%0.63681%0.805SS**  trans-90.4153169.400000109.4
817Y24Very low28.5Very low237 Ų237157.4 Ų157.493%0.92980%0.798SS**  trans-122126.7153.6-132.1-87.6000108.8
818R28Very low28.2Very low191 Ų191151.4 Ų151.472%0.72179%0.788SS**  trans-169.4135.8-166.9169.2-150.5-100.4-97.24.8103.7
819E25.9Very low27.6Very low139 Ų139152.8 Ų152.865%0.6578%0.784SS**  cis-124.3172.7-8.2-100128.5165.500107.4
820D27.1Very low27.3Very low150 Ų150150.6 Ų150.680%0.80278%0.78SS**  trans-151135.5151.9-112.4-25.7000114.4
821L27.3Very low27.1Very low138 Ų138146.9 Ų146.972%0.72377%0.774SS**  trans62.1117.3159.6-8861.9000123.2
822I29.1Very low26.7Very low151 Ų151147.8 Ų147.877%0.77477%0.768SS**  trans96.983.2134.2-62.7167.8000118.2
823Q27.5Very low26.5Very low166 Ų166144.9 Ų144.978%0.77676%0.762SS**  trans-46147.8143-145.385.611.900113.3N825Q823-N825 VanDerWaalsContact CG-OD1 3.3Å; Q823-N825 WeakPolarHBondContact CG-OD1 3.39Å
824G26.2Very low26.3Very low75 Ų75148 Ų14877%0.77376%0.759SS**  trans-161.340.7179.900000115.5
825N30.2Very low26.1Very low120 Ų120146.4 Ų146.464%0.64276%0.761SS**  trans-37.2139.8-173.2-45.2-18.9000117.2Q823Q823-N825 VanDerWaalsContact CG-OD1 3.3Å; Q823-N825 WeakPolarHBondContact CG-OD1 3.39Å
826Y27.9Very low26.1Very low217 Ų217144.5 Ų144.585%0.85175%0.753SS**  -168.4140.9110.540.1-117.3000116.7
827T26.4Very low27.1Very low118 Ų118145.9 Ų145.972%0.72476%0.755SS**  trans55.5108.3145.654.90000124.3
828T25Very low27.5Very low110 Ų110141.9 Ų141.968%0.67575%0.745SS**  63.5102.498.8-56.40000121.9
829E24.5Very low27.5Very low173 Ų173142.2 Ų142.281%0.80876%0.755SS**  64.9146.3124.4-61.3171.6-122.100125.4
830A25Very low27.6Very low90 Ų90142.8 Ų142.874%0.74476%0.757SS**  trans76.7131.9140.400000123.8
831C23.4Very low28.9Very low104 Ų104140 Ų14070%0.70375%0.748SS**  trans77.6119138.3-76.30000123.5
832Q24.4Very low28.9Very low167 Ų167141.5 Ų141.578%0.7875%0.75SS**  88.9139121.3-75.5-17756.100123.4
833V23.9Very low28.8Very low118 Ų118141.6 Ų141.672%0.71575%0.752SS**  trans66.695.5140.1177.80000119.6
834D25.2Very low30.2Very low147 Ų147138.8 Ų138.879%0.78675%0.748SS**  64.5163.6115.1-142.8-7.3000122
835T24.5Very low31.3Very low125 Ų125140.1 Ų140.177%0.76774%0.743SS**  trans80.5134.8165.642.10000122
836R26.5Very low31.3Very low221 Ų221145.3 Ų145.383%0.83475%0.753SS**  trans-74179.4168.8-69.6173.9166.1-172.6-3.5110
837P46.4Very low31.3Very low106 Ų106139.2 Ų139.269%0.68874%0.742SS**  cis-155.6170.827.842.7-19.5000122.5
838H32.4Very low31.4Very low153 Ų153141.8 Ų141.871%0.70875%0.746SS**  trans45128143.9-63.8-48.3000123.5
839Q29.7Very low31.5Very low198 Ų198142.4 Ų142.493%0.92576%0.755SS**  -152.5170.2101.4-110.1165.698.600113
840H26.8Very low32.5Very low151 Ų151139.7 Ų139.770%0.69975%0.752SS**  trans-137.2174.5-169.9-131.9-35.1000107.9
841P54.6Low32.7Very low93 Ų93143.2 Ų143.260%0.60476%0.758SS**  -155.7178.658.840.9-17.8000119
842H27.5Very low33.5Very low169 Ų169144.1 Ų144.178%0.78276%0.762SS**  trans78.7162.6158.8-56.6-46.3000121.2
843L27.9Very low33.8Very low153 Ų153143.5 Ų143.580%0.80176%0.763SS**  trans178.8-175.4-134.4-102-177.2000108.6
844P55.4Low33.9Very low106 Ų106144.3 Ų144.369%0.68877%0.768SS**  cis-132.2-144.7-17.734.1-8.7000110
845P48.8Very low34Very low103 Ų103141.5 Ų141.567%0.66977%0.765SS**  cis-142.6168.1-9.945.7-27.9000119.9
846R30.1Very low34Very low229 Ų229142.6 Ų142.686%0.86476%0.762SS**  trans76.4146156.3-53.9-154.6171.5140.9-0.9120.5
847S28.2Very low34.2Very low89 Ų89141.7 Ų141.762%0.62276%0.758SS**  cis171.4155.6-44.946.80000111.7
848H30.1Very low33.3Very low172 Ų172140.6 Ų140.680%0.79676%0.758SS**  cis-175.4129-30.8-85.5-45.9000110.6
849S26.8Very low33Very low123 Ų123144.1 Ų144.186%0.8677%0.765SS**  trans63.6178.7155.1-100.50000119.4
850P44.5Very low32.9Very low116 Ų116140.5 Ų140.575%0.75376%0.757SS**  cis-132-1773.342.1-25000117.5
851L30.4Very low32.9Very low165 Ų165137 Ų13786%0.86475%0.754SS**  trans-115.2160.8157.7-67.8169.7000108.6
852P40.2Very low31.6Very low123 Ų123139 Ų13980%0.79976%0.764SS**  -153.3162.795.539.4-20.4000118.9
853I30.5Very low32.3Very low154 Ų154136.5 Ų136.579%0.7976%0.764SS**  trans-37.6143.7165.1-24.8177000117.3
854T26.3Very low32.3Very low135 Ų135134.6 Ų134.683%0.82876%0.763SS**  164.8151.1115.838.80000117.2
855A26.5Very low31.2Very low88 Ų88136 Ų13673%0.72776%0.764SS**  trans73.6120.114400000124.1
856E25.2Very low30.3Very low148 Ų148140 Ų14069%0.69277%0.774SS**  76.2147.3125.8-79.9-72.8103.300124.7
857R30.4Very low30.2Very low201 Ų201132 Ų13276%0.75876%0.763SS**  trans54.5113.8163.7-75.4167.1163.380.2-9.7118
858A27.2Very low30.8Very low83 Ų83134.2 Ų134.269%0.68678%0.776SS**  cis78.5146.232.700000116.7
859W26.3Very low31Very low227 Ų227137.2 Ų137.286%0.8678%0.78SS**  trans90.7129.5170.4-58.292.8000120.5
860T27.2Very low31.2Very low122 Ų122136.5 Ų136.575%0.74878%0.775SS**  trans70.6114.214145.60000123.2
861A27Very low30.7Very low77 Ų77138.9 Ų138.964%0.63678%0.78SS**  103.3104.1110.700000120.8
862T26.1Very low31.5Very low135 Ų135137 Ų13783%0.82878%0.778SS**  trans65.1-178.9133.3770000116
863P44Very low31.4Very low118 Ų118137.8 Ų137.877%0.76678%0.776SS**  -130.3-167.5-118.828.9-2.5000114.5
864S27.1Very low32Very low113 Ų113135.2 Ų135.279%0.7977%0.771SS**  trans101.2166159.3-151.30000118.5
865L32Very low33Very low136 Ų136132.4 Ų132.471%0.71277%0.769SS**  trans73.2101.1175-98.165.7000120.7
866E30.1Very low33.8Very low185 Ų185139.4 Ų139.486%0.86478%0.776SS**  58.9135.5126.2-64.2-175112.600122.6
867G27.9Very low34.5Very low63 Ų63137 Ų13765%0.64978%0.781SS**  trans159.690.2168.400000113.6
868P40.5Very low35.1Very low135 Ų135132.3 Ų132.388%0.87778%0.78SS**  trans-73.3136.8-174.129.8-35000112.5
869R34.1Very low36.1Very low234 Ų234133.9 Ų133.988%0.88378%0.783SS**  trans-134.698.3173.8-72.1-170.6174.7137.54.3113.2
870S32.6Very low37.6Very low109 Ų109127.3 Ų127.376%0.76277%0.771SS**  trans46.3113.8143.557.80000119.5
871L33.5Very low39.5Very low166 Ų166127.9 Ų127.987%0.86977%0.767SS**  trans-46.2137.9156.7-66.4161.9000112.1D873L871-D873 PolarHBondContact O-N 3.03Å
872P46.6Very low42.2Very low124 Ų124130.9 Ų130.981%0.80576%0.761SS**  trans-82.886.115733.5-30.1000109.3S874P872-S874 PolarHBondContact O-N 3.23Å
873D38.8Very low45Very low141 Ų141127.6 Ų127.675%0.75474%0.739SS**  trans-71.1120.6155.5-176.611.4000108.2L871L871-D873 PolarHBondContact O-N 3.03Å
874S42.3Very low47.3Very low100 Ų100122.1 Ų122.170%0.69970%0.703SS**  trans-155.686.5170.6-79.90000107.8P872 R876P872-S874 PolarHBondContact O-N 3.23Å; S874-R876 PolarHBondContact O-N 2.91Å
875G46.8Very low50.4Low75 Ų75122.2 Ų122.277%0.77369%0.692SS**SBendtrans-63.261-175.400000116.8
876R44.6Very low53.4Low235 Ų235118.3 Ų118.389%0.88767%0.669SS**  trans-148.268147.1-78.1-166-171.2-91.3-3.4108.7S874 S878S874-R876 PolarHBondContact O-N 2.91Å; R876-S878 PolarHBondContact O-N 2.67Å
877A38.7Very low56.5Low97 Ų97109.6 Ų109.680%0.80263%0.628SS**  trans-60.8104.5158.800000107.9
878S43.6Very low59.7Low103 Ų103107.5 Ų107.572%0.7260%0.602SS**PPolyproline II helixtrans-47.5140152.9-66.40000107.3R876 C880R876-S878 PolarHBondContact O-N 2.67Å; S878-C880 PolarHBondContact O-N 3.29Å
879P47.9Very low62.2Low117 Ų117107.9 Ų107.976%0.7659%0.586SS**PPolyproline II helixtrans-49.2118176.1-25.934.3000108.4M881P879-M881 PolarHBondContact O-N 3.36Å
880C57.6Low65.1Low88 Ų8899.3 Ų99.360%0.59556%0.557SS**PPolyproline II helixtrans-57.2117.4176.844.90000106.4S878 R882S878-C880 PolarHBondContact O-N 3.29Å; C880-R882 PolarHBondContact O-N 3.36Å; C880-R882 VanDerWaalsContact O-N 3.1Å
881M68.6Low68.2Low135 Ų13594.2 Ų94.267%0.66552%0.521SS*.PPolyproline II helixtrans-58.5123.9-178.9-69.4-63.3-72.500106.4P879 D883P879-M881 PolarHBondContact O-N 3.36Å; M881-D883 PolarHBondContact O-N 3.43Å
882R82Confident71Confident139 Ų13988.4 Ų88.453%0.52549%0.49SS..  trans-81.562.4177-63.1-170.3-172.9179.81.5108.4C880 F886 F887 S957C880-R882 PolarHBondContact O-N 3.36Å; C880-R882 VanDerWaalsContact O-N 3.1Å; R882-F886 HydrophobicContact CB-CD1 4.24Å; R882-F886 HydrophobicContact CG-CD1 4.17Å; R882-F886 HydrophobicContact CG-CE1 4.18Å; R882-F887 HydrophobicContact CB-CD2 4.45Å; R882-F887 HydrophobicContact CB-CE2 3.62Å; R882-F887 HydrophobicContact CB-CZ 3.87Å; R882-F887 HydrophobicContact CG-CZ 4.48Å; R882-F887 WeakPolarHBondContact O-CE2 3.34Å; R882-S957 WeakPolarHBondContact O-CB 3.4Å
883D86.9Confident73.3Confident67 Ų6786 Ų8636%0.35847%0.473SS..  trans-77.9173.91754945.1000110.9M881 E885 F886 F887M881-D883 PolarHBondContact O-N 3.43Å; D883-E885 VanDerWaalsContact C-N 3.26Å; D883-E885 PolarHBondContact O-N 3.39Å; D883-E885 PolarHBondContact OD1-N 2.96Å; D883-F886 PolarHBondContact O-N 3.3Å; D883-F886 WeakPolarHBondContact OD1-CB 3.46Å; D883-F886 PolarHBondContact OD1-N 3.27Å; D883-F887 VanDerWaalsContact O-CD2 3.29Å; D883-F887 WeakPolarHBondContact O-CD2 3.42Å; D883-F887 PolarHBondContact O-N 2.88Å; D883-F887 VanDerWaalsContact O-N 3.13Å
884G91.4Very high76Confident2 Ų279.9 Ų79.92%0.02144%0.44CS..Hα-helixtrans-58-38.1176.300000112.5F886 F887 L888 S946G884-F886 PolarHBondContact O-N 3.17Å; G884-F887 PolarHBondContact O-N 3.1Å; G884-L888 WeakPolarHBondContact O-CB 3.41Å; G884-L888 VanDerWaalsContact O-CG 3.29Å; G884-L888 WeakPolarHBondContact O-CG 3.49Å; G884-L888 PolarHBondContact O-N 2.77Å; G884-S946 VanDerWaalsContact CA-OG 3.29Å; G884-S946 WeakPolarHBondContact CA-OG 3.11Å
885E92.4Very high78.5Confident116 Ų11675.5 Ų75.554%0.54241%0.409SS..Hα-helixtrans-65.4-36.8179.7-67-174.2-163.800113D883 R889 I947D883-E885 VanDerWaalsContact C-N 3.26Å; D883-E885 PolarHBondContact O-N 3.39Å; D883-E885 PolarHBondContact OD1-N 2.96Å; E885-R889 PolarHBondContact O-N 2.92Å; E885-R889 PolarHBondContact O-NE 3.03Å; E885-R889 PolarHBondContact O-NH2 3.22Å; E885-I947 HydrophobicContact CG-CD1 4.04Å; E885-I947 HydrophobicContact CG-CG1 4.38Å
886F94.1Very high80.9Confident54 Ų5476.7 Ų76.724%0.23739%0.394CS..Hα-helixtrans-62.8-47.4170.6173.6-94.7000111.2R882 D883 G884 L890R882-F886 HydrophobicContact CB-CD1 4.24Å; R882-F886 HydrophobicContact CG-CD1 4.17Å; R882-F886 HydrophobicContact CG-CE1 4.18Å; D883-F886 PolarHBondContact O-N 3.3Å; D883-F886 WeakPolarHBondContact OD1-CB 3.46Å; D883-F886 PolarHBondContact OD1-N 3.27Å; G884-F886 PolarHBondContact O-N 3.17Å; F886-L890 HydrophobicContact CE1-CD2 3.95Å; F886-L890 HydrophobicContact CZ-CD2 4.14Å; F886-L890 WeakPolarHBondContact O-CB 3.5Å; F886-L890 PolarHBondContact O-N 3.46Å; F886-L890 VanDerWaalsContact O-N 3.16Å
887F95.1Very high83.3Confident1 Ų170 Ų700%0.00437%0.369CS..Hα-helixtrans-71.3-33.3-178.3-78.5-61000113.8R882 D883 G884 L890 L891 F939 L960 A961 W964R882-F887 HydrophobicContact CB-CD2 4.45Å; R882-F887 HydrophobicContact CB-CE2 3.62Å; R882-F887 HydrophobicContact CB-CZ 3.87Å; R882-F887 HydrophobicContact CG-CZ 4.48Å; R882-F887 WeakPolarHBondContact O-CE2 3.34Å; D883-F887 VanDerWaalsContact O-CD2 3.29Å; D883-F887 WeakPolarHBondContact O-CD2 3.42Å; D883-F887 PolarHBondContact O-N 2.88Å; D883-F887 VanDerWaalsContact O-N 3.13Å; G884-F887 PolarHBondContact O-N 3.1Å; F887-L890 PolarHBondContact O-N 3.44Å; F887-L891 WeakPolarHBondContact O-CB 3.36Å; F887-L891 PolarHBondContact O-N 3.03Å; F887-F939 HydrophobicContact CB-CE1 3.86Å; F887-F939 HydrophobicContact CB-CZ 3.7Å; F887-F939 HydrophobicContact CD1-CE1 4.18Å; F887-F939 AromaticContact CD1-CZ 3.71Å; F887-F939 HydrophobicContact CD1-CZ 3.71Å; F887-F939 HydrophobicContact CD2-CZ 4.44Å; F887-F939 HydrophobicContact CE1-CZ 4.43Å; F887-F939 HydrophobicContact CG-CE1 4.27Å; F887-F939 AromaticContact CG-CZ 3.72Å; F887-F939 HydrophobicContact CG-CZ 3.72Å; F887-L960 HydrophobicContact CD2-CB 3.61Å; F887-L960 HydrophobicContact CD2-CD1 3.76Å; F887-L960 HydrophobicContact CD2-CG 4.34Å; F887-L960 HydrophobicContact CE2-CB 3.53Å; F887-L960 HydrophobicContact CE2-CD1 4.28Å; F887-L960 HydrophobicContact CG-CB 4.46Å; F887-L960 HydrophobicContact CZ-CB 4.38Å; F887-A961 HydrophobicContact CE2-CB 4.49Å; F887-A961 HydrophobicContact CZ-CB 3.92Å; F887-W964 HydrophobicContact CD1-CB 4.11Å; F887-W964 HydrophobicContact CD1-CD2 4.27Å; F887-W964 HydrophobicContact CD1-CG 4.01Å; F887-W964 HydrophobicContact CE1-CB 3.7Å; F887-W964 AromaticContact CE1-CD1 3.9Å; F887-W964 HydrophobicContact CE1-CD2 4.36Å; F887-W964 AromaticContact CE1-CG 3.67Å; F887-W964 HydrophobicContact CE1-CG 3.67Å; F887-W964 HydrophobicContact CZ-CB 4.44Å
888L94.8Very high86Confident19 Ų1965.4 Ų65.410%0.09933%0.331CS..Hα-helixtrans-61.3-50.2174.2-76.5-179.2000111.7G884 L890 L891 Q892 F940 C943 I947G884-L888 WeakPolarHBondContact O-CB 3.41Å; G884-L888 VanDerWaalsContact O-CG 3.29Å; G884-L888 WeakPolarHBondContact O-CG 3.49Å; G884-L888 PolarHBondContact O-N 2.77Å; L888-L890 VanDerWaalsContact C-N 3.31Å; L888-L890 PolarHBondContact O-N 3.38Å; L888-L891 WeakPolarHBondContact O-CB 3.3Å; L888-L891 PolarHBondContact O-N 3.49Å; L888-Q892 PolarHBondContact O-N 3.27Å; L888-F940 HydrophobicContact CD2-CD2 3.3Å; L888-F940 HydrophobicContact CD2-CE2 3.55Å; L888-F940 HydrophobicContact CD2-CG 4.35Å; L888-C943 HydrophobicContact CD2-CB 3.56Å; L888-C943 HydrophobicContact CG-CB 3.75Å; L888-I947 HydrophobicContact CD1-CD1 3.56Å; L888-I947 HydrophobicContact CG-CD1 4.42Å
889R94.8Very high88.5Confident143 Ų14361.8 Ų61.854%0.5430%0.303SS..Hα-helixtrans-62.9-39.5178.2-71.2174.1-70.5134.3-9.3111.9E885 Q892 T893E885-R889 PolarHBondContact O-N 2.92Å; E885-R889 PolarHBondContact O-NE 3.03Å; E885-R889 PolarHBondContact O-NH2 3.22Å; R889-Q892 PolarHBondContact O-N 3.08Å; R889-T893 PolarHBondContact O-N 3.17Å; R889-T893 VanDerWaalsContact O-N 3.15Å; R889-T893 PolarHBondContact O-OG1 3.09Å
890L95.1Very high90.8Very high55 Ų5557.8 Ų57.829%0.28828%0.283SS..Hα-helixtrans-69.5-35.2177.3-173.562.8000112.5F886 F887 L888 E894 W964F886-L890 HydrophobicContact CE1-CD2 3.95Å; F886-L890 HydrophobicContact CZ-CD2 4.14Å; F886-L890 WeakPolarHBondContact O-CB 3.5Å; F886-L890 PolarHBondContact O-N 3.46Å; F886-L890 VanDerWaalsContact O-N 3.16Å; F887-L890 PolarHBondContact O-N 3.44Å; L888-L890 VanDerWaalsContact C-N 3.31Å; L888-L890 PolarHBondContact O-N 3.38Å; L890-E894 PolarHBondContact O-N 3.5Å; L890-W964 HydrophobicContact CD1-CZ2 4.29Å; L890-W964 HydrophobicContact CD2-CD2 4.38Å; L890-W964 HydrophobicContact CD2-CH2 4.19Å; L890-W964 HydrophobicContact CD2-CZ2 3.44Å; L890-W964 VanDerWaalsContact CD2-CZ2 3.44Å; L890-W964 HydrophobicContact CG-CH2 3.79Å; L890-W964 HydrophobicContact CG-CZ2 3.47Å; L890-W964 VanDerWaalsContact CG-CZ2 3.47Å
891L95.9Very high92.5Very high1 Ų156.6 Ų56.61%0.00527%0.266CS..Hα-helixtrans-63.8-48.9172.9-177.864.1000110.8F887 L888 T893 E894 V895 V936 F939 F940 W964 L967F887-L891 WeakPolarHBondContact O-CB 3.36Å; F887-L891 PolarHBondContact O-N 3.03Å; L888-L891 WeakPolarHBondContact O-CB 3.3Å; L888-L891 PolarHBondContact O-N 3.49Å; L891-T893 PolarHBondContact O-N 2.85Å; L891-E894 WeakPolarHBondContact O-CA 3.36Å; L891-E894 WeakPolarHBondContact O-CB 3.14Å; L891-E894 PolarHBondContact O-N 3.43Å; L891-V895 HydrophobicContact CD1-CG2 4.43Å; L891-V895 HydrophobicContact CG-CG2 4.37Å; L891-V895 WeakPolarHBondContact O-CG2 3.37Å; L891-V895 PolarHBondContact O-N 3.43Å; L891-V936 HydrophobicContact CD1-CB 4.17Å; L891-V936 HydrophobicContact CD1-CG1 3.78Å; L891-V936 HydrophobicContact CD1-CG2 3.98Å; L891-V936 HydrophobicContact CD2-CG1 4Å; L891-V936 HydrophobicContact CG-CG1 3.98Å; L891-F939 HydrophobicContact CB-CD1 4.38Å; L891-F939 HydrophobicContact CD1-CD1 3.89Å; L891-F939 HydrophobicContact CD2-CD1 3.95Å; L891-F939 HydrophobicContact CG-CD1 4.29Å; L891-F940 HydrophobicContact CD2-CB 3.86Å; L891-F940 HydrophobicContact CD2-CD2 4.42Å; L891-W964 HydrophobicContact CB-CZ3 4.44Å; L891-W964 HydrophobicContact CD1-CZ3 4.06Å; L891-L967 HydrophobicContact CD1-CD2 3.64Å
892Q93.6Very high93.8Very high45 Ų4550.3 Ų50.321%0.2124%0.235CC..Hα-helixtrans-55-50.2177.3176.5176.11.100111.8F471 L888 R889 E894 V895 E896F471-Q892 HydrophobicContact CD2-CB 4.09Å; F471-Q892 HydrophobicContact CD2-CG 3.98Å; F471-Q892 HydrophobicContact CE2-CB 4.1Å; F471-Q892 HydrophobicContact CE2-CG 4.3Å; L888-Q892 PolarHBondContact O-N 3.27Å; R889-Q892 PolarHBondContact O-N 3.08Å; Q892-E894 PolarHBondContact O-N 2.94Å; Q892-V895 PolarHBondContact O-N 3.06Å; Q892-V895 VanDerWaalsContact O-N 3.15Å; Q892-E896 HydrophobicContact CG-CG 4.29Å; Q892-E896 WeakPolarHBondContact CG-OE1 3.29Å; Q892-E896 PolarHBondContact NE2-OE1 3.02Å; Q892-E896 WeakPolarHBondContact O-CG 3.49Å; Q892-E896 PolarHBondContact O-N 3.02Å
893T95.1Very high94.4Very high74 Ų7448.6 Ų48.645%0.45423%0.233SC..Hα-helixtrans-62-13177.6-53.60000114.1R889 L891 R897R889-T893 PolarHBondContact O-N 3.17Å; R889-T893 VanDerWaalsContact O-N 3.15Å; R889-T893 PolarHBondContact O-OG1 3.09Å; L891-T893 PolarHBondContact O-N 2.85Å; T893-R897 PolarHBondContact O-NH2 2.86Å
894E94.3Very high94.6Very high12 Ų1248.8 Ų48.86%0.05623%0.234CC..Hα-helixtrans-100.8-34.3177.5-157.963.4-125.200111.8L890 L891 Q892 R897 M898 W964 Q968 I971L890-E894 PolarHBondContact O-N 3.5Å; L891-E894 WeakPolarHBondContact O-CA 3.36Å; L891-E894 WeakPolarHBondContact O-CB 3.14Å; L891-E894 PolarHBondContact O-N 3.43Å; Q892-E894 PolarHBondContact O-N 2.94Å; E894-R897 VanDerWaalsContact CD-CZ 3.44Å; E894-R897 PolarHBondContact O-N 2.99Å; E894-R897 IonicContact OE1-CZ 3.32Å; E894-R897 VanDerWaalsContact OE1-CZ 3.25Å; E894-R897 IonicContact OE1-NE 2.75Å; E894-R897 IonicContact OE1-NH1 3.19Å; E894-R897 PolarHBondContact OE1-NH1 2.94Å; E894-R897 IonicContact OE1-NH2 3.51Å; E894-R897 IonicContact OE2-CZ 2.8Å; E894-R897 IonicContact OE2-NH1 2.85Å; E894-R897 PolarHBondContact OE2-NH1 3.15Å; E894-R897 IonicContact OE2-NH2 2.78Å; E894-R897 PolarHBondContact OE2-NH2 2.85Å; E894-M898 WeakPolarHBondContact O-CE 3.41Å; E894-M898 WeakPolarHBondContact O-CG 3.35Å; E894-M898 PolarHBondContact O-N 3.42Å; E894-W964 HydrophobicContact CB-CH2 4.2Å; E894-W964 HydrophobicContact CG-CH2 4.3Å; E894-Q968 PolarHBondContact OE2-NE2 3.25Å; E894-I971 HydrophobicContact CG-CD1 3.54Å; E894-I971 HydrophobicContact CG-CG1 4.29Å; E894-I971 HydrophobicContact CG-CG2 3.97Å; E894-I971 WeakPolarHBondContact OE1-CG2 3.32Å
895V96.1Very high94.6Very high7 Ų748.9 Ų48.94%0.04223%0.234CC..Hα-helixtrans-63-54.9170.7170.80000110.8L891 Q892 R897 M898 E899 M932 V936L891-V895 HydrophobicContact CD1-CG2 4.43Å; L891-V895 HydrophobicContact CG-CG2 4.37Å; L891-V895 WeakPolarHBondContact O-CG2 3.37Å; L891-V895 PolarHBondContact O-N 3.43Å; Q892-V895 PolarHBondContact O-N 3.06Å; Q892-V895 VanDerWaalsContact O-N 3.15Å; V895-R897 PolarHBondContact O-N 2.97Å; V895-M898 PolarHBondContact O-N 3.01Å; V895-E899 HydrophobicContact CG1-CG 4.27Å; V895-E899 WeakPolarHBondContact CG1-OE1 3.48Å; V895-E899 WeakPolarHBondContact O-CG 3.47Å; V895-E899 PolarHBondContact O-N 2.98Å; V895-M932 HydrophobicContact CG1-SD 4.21Å; V895-V936 HydrophobicContact CG2-CB 4.3Å; V895-V936 HydrophobicContact CG2-CG1 3.36Å; V895-V936 HydrophobicContact CG2-CG2 4.01Å
896E96Very high94.5Very high101 Ų10146.5 Ų46.547%0.47222%0.223SC..Hα-helixtrans-53.2-30.9177.3-68.7168175.600112Q892 G900Q892-E896 HydrophobicContact CG-CG 4.29Å; Q892-E896 WeakPolarHBondContact CG-OE1 3.29Å; Q892-E896 PolarHBondContact NE2-OE1 3.02Å; Q892-E896 WeakPolarHBondContact O-CG 3.49Å; Q892-E896 PolarHBondContact O-N 3.02Å; E896-G900 PolarHBondContact O-N 3.47Å
897R95.7Very high94.3Very high94 Ų9451.1 Ų51.136%0.35524%0.239SC..Hα-helixtrans-78.6-40.4178.3-160.4-172.1-47.9140.223.9113T893 E894 V895 G900 W901T893-R897 PolarHBondContact O-NH2 2.86Å; E894-R897 VanDerWaalsContact CD-CZ 3.44Å; E894-R897 PolarHBondContact O-N 2.99Å; E894-R897 IonicContact OE1-CZ 3.32Å; E894-R897 VanDerWaalsContact OE1-CZ 3.25Å; E894-R897 IonicContact OE1-NE 2.75Å; E894-R897 IonicContact OE1-NH1 3.19Å; E894-R897 PolarHBondContact OE1-NH1 2.94Å; E894-R897 IonicContact OE1-NH2 3.51Å; E894-R897 IonicContact OE2-CZ 2.8Å; E894-R897 IonicContact OE2-NH1 2.85Å; E894-R897 PolarHBondContact OE2-NH1 3.15Å; E894-R897 IonicContact OE2-NH2 2.78Å; E894-R897 PolarHBondContact OE2-NH2 2.85Å; V895-R897 PolarHBondContact O-N 2.97Å; R897-G900 PolarHBondContact O-N 3.06Å; R897-W901 HydrophobicContact CG-CH2 4.3Å; R897-W901 HydrophobicContact CG-CZ2 3.72Å; R897-W901 VanDerWaalsContact O-CG 3.31Å; R897-W901 PolarHBondContact O-N 3.36Å; R897-W901 VanDerWaalsContact O-N 3.07Å
898M95.4Very high93.8Very high0 Ų052 Ų520%024%0.243CC..Hα-helixtrans-68.8-40.8174.9-73.7-175.7-68.700111.3E894 V895 W901 C902 L931 M932 V936 I971E894-M898 WeakPolarHBondContact O-CE 3.41Å; E894-M898 WeakPolarHBondContact O-CG 3.35Å; E894-M898 PolarHBondContact O-N 3.42Å; V895-M898 PolarHBondContact O-N 3.01Å; M898-W901 HydrophobicContact CB-CE3 4.45Å; M898-W901 HydrophobicContact CG-CE3 3.98Å; M898-W901 HydrophobicContact CG-CZ3 3.84Å; M898-W901 WeakPolarHBondContact O-CB 3.47Å; M898-W901 PolarHBondContact O-N 3.15Å; M898-W901 VanDerWaalsContact O-N 3.15Å; M898-C902 PolarHBondContact O-N 3.5Å; M898-C902 PolarHBondContact O-SG 2.88Å; M898-C902 VanDerWaalsContact O-SG 3.36Å; M898-L931 HydrophobicContact SD-CD2 4.06Å; M898-M932 HydrophobicContact CB-CE 4.48Å; M898-M932 HydrophobicContact CB-SD 3.68Å; M898-M932 HydrophobicContact CE-CG 3.82Å; M898-M932 HydrophobicContact CE-SD 4.09Å; M898-M932 HydrophobicContact SD-CG 4.41Å; M898-V936 HydrophobicContact CE-CG2 4.04Å; M898-I971 HydrophobicContact CE-CG1 4.17Å; M898-I971 HydrophobicContact SD-CB 4.45Å; M898-I971 HydrophobicContact SD-CG1 3.96Å; M898-I971 HydrophobicContact SD-CG2 4.09Å
899E95.8Very high93.3Very high28 Ų2852.1 Ų52.113%0.13125%0.247CC..Hα-helixtrans-59.3-45.1171.5-69.6171.1176.300111.3M478 V895 W901 C902 Q903 M932M478-E899 VanDerWaalsContact CE-CD 3.46Å; M478-E899 HydrophobicContact CE-CG 4.38Å; M478-E899 VanDerWaalsContact CE-OE1 3.31Å; M478-E899 WeakPolarHBondContact CE-OE1 3.38Å; V895-E899 HydrophobicContact CG1-CG 4.27Å; V895-E899 WeakPolarHBondContact CG1-OE1 3.48Å; V895-E899 WeakPolarHBondContact O-CG 3.47Å; V895-E899 PolarHBondContact O-N 2.98Å; E899-W901 VanDerWaalsContact C-N 3.28Å; E899-W901 PolarHBondContact O-N 2.87Å; E899-C902 WeakPolarHBondContact O-CB 3.39Å; E899-C902 PolarHBondContact O-N 3Å; E899-C902 VanDerWaalsContact O-N 3.15Å; E899-Q903 WeakPolarHBondContact O-CG 3.37Å; E899-Q903 PolarHBondContact O-N 3.3Å; E899-M932 HydrophobicContact CG-CE 3.96Å; E899-M932 HydrophobicContact CG-SD 3.93Å
900G95.6Very high92.8Very high33 Ų3353 Ų5334%0.3426%0.257SS..Hα-helixtrans-59.9-33.5173.400000113.9E896 R897 N904E896-G900 PolarHBondContact O-N 3.47Å; R897-G900 PolarHBondContact O-N 3.06Å; G900-N904 WeakPolarHBondContact O-CB 3.5Å; G900-N904 PolarHBondContact O-N 3.34Å
901W94.4Very high92.1Very high62 Ų6257.5 Ų57.524%0.23528%0.277CS..Hα-helixtrans-71.8-40.6172.4-62.4-26.7000112.5R897 M898 E899 M905 R975 F978R897-W901 HydrophobicContact CG-CH2 4.3Å; R897-W901 HydrophobicContact CG-CZ2 3.72Å; R897-W901 VanDerWaalsContact O-CG 3.31Å; R897-W901 PolarHBondContact O-N 3.36Å; R897-W901 VanDerWaalsContact O-N 3.07Å; M898-W901 HydrophobicContact CB-CE3 4.45Å; M898-W901 HydrophobicContact CG-CE3 3.98Å; M898-W901 HydrophobicContact CG-CZ3 3.84Å; M898-W901 WeakPolarHBondContact O-CB 3.47Å; M898-W901 PolarHBondContact O-N 3.15Å; M898-W901 VanDerWaalsContact O-N 3.15Å; E899-W901 VanDerWaalsContact C-N 3.28Å; E899-W901 PolarHBondContact O-N 2.87Å; W901-M905 WeakPolarHBondContact O-CB 3.34Å; W901-M905 PolarHBondContact O-N 3.07Å; W901-R975 HydrophobicContact CH2-CB 3.79Å; W901-R975 HydrophobicContact CH2-CG 3.51Å; W901-R975 HydrophobicContact CZ2-CG 3.94Å; W901-R975 HydrophobicContact CZ3-CB 3.81Å; W901-R975 HydrophobicContact CZ3-CG 3.99Å; W901-F978 HydrophobicContact CB-CD1 3.94Å; W901-F978 HydrophobicContact CB-CD2 3.77Å; W901-F978 HydrophobicContact CB-CE1 4Å; W901-F978 HydrophobicContact CB-CE2 3.8Å; W901-F978 HydrophobicContact CB-CG 3.83Å; W901-F978 HydrophobicContact CB-CZ 3.93Å; W901-F978 HydrophobicContact CD2-CD2 4.3Å; W901-F978 AromaticContact CE3-CD2 3.89Å; W901-F978 HydrophobicContact CE3-CD2 3.89Å; W901-F978 HydrophobicContact CE3-CE2 4.35Å; W901-F978 HydrophobicContact CG-CD2 4.3Å; W901-F978 HydrophobicContact CG-CG 4.36Å; W901-F978 WeakPolarHBondContact O-CE1 3.5Å
902C95.1Very high90.8Very high4 Ų459.8 Ų59.83%0.02729%0.289CS..Hα-helixtrans-59-61.6173.9-66.80000110.7M898 E899 N904 M905 E906 V925M898-C902 PolarHBondContact O-N 3.5Å; M898-C902 PolarHBondContact O-SG 2.88Å; M898-C902 VanDerWaalsContact O-SG 3.36Å; E899-C902 WeakPolarHBondContact O-CB 3.39Å; E899-C902 PolarHBondContact O-N 3Å; E899-C902 VanDerWaalsContact O-N 3.15Å; C902-N904 PolarHBondContact O-N 3.21Å; C902-N904 VanDerWaalsContact O-N 3.14Å; C902-M905 CarbonylContact O-C 3.59Å; C902-M905 PolarHBondContact O-N 2.8Å; C902-E906 WeakPolarHBondContact CB-OE2 3.46Å; C902-E906 WeakPolarHBondContact O-CB 3.43Å; C902-E906 WeakPolarHBondContact O-CG 3.5Å; C902-E906 PolarHBondContact O-N 2.89Å; C902-V925 HydrophobicContact CB-CG1 4.22Å
903Q94.3Very high89.4Confident102 Ų10267 Ų6748%0.47732%0.323SS..Hα-helixtrans-59-32.9-175.4-66.5173.118.100113.2E899 E906 R907E899-Q903 WeakPolarHBondContact O-CG 3.37Å; E899-Q903 PolarHBondContact O-N 3.3Å; Q903-E906 PolarHBondContact N-OE2 3.15Å; Q903-R907 VanDerWaalsContact O-CB 3.24Å; Q903-R907 WeakPolarHBondContact O-CB 3.41Å; Q903-R907 PolarHBondContact O-N 3.27Å
904N92.8Very high87.8Confident72 Ų7265.1 Ų65.139%0.38531%0.31SS..Hα-helixtrans-68.4-40.7174.7176.688.9000111.9G900 C902 E908G900-N904 WeakPolarHBondContact O-CB 3.5Å; G900-N904 PolarHBondContact O-N 3.34Å; C902-N904 PolarHBondContact O-N 3.21Å; C902-N904 VanDerWaalsContact O-N 3.14Å; N904-E908 WeakPolarHBondContact O-CB 3.48Å; N904-E908 PolarHBondContact O-N 2.79Å
905M90.3Very high86.1Confident4 Ų470.6 Ų70.62%0.0235%0.346CS..Hα-helixtrans-85.1-27.5-177.8-153.567.365.100113W901 C902 E908 A909 I921 V925 F978 L981 W989W901-M905 WeakPolarHBondContact O-CB 3.34Å; W901-M905 PolarHBondContact O-N 3.07Å; C902-M905 CarbonylContact O-C 3.59Å; C902-M905 PolarHBondContact O-N 2.8Å; M905-E908 WeakPolarHBondContact O-CB 3.07Å; M905-E908 PolarHBondContact O-N 3.47Å; M905-E908 HydrophobicContact SD-CB 4.47Å; M905-A909 PolarHBondContact O-N 3.16Å; M905-I921 HydrophobicContact CB-CG2 4.22Å; M905-I921 HydrophobicContact CG-CB 4.37Å; M905-I921 HydrophobicContact CG-CD1 4.36Å; M905-I921 HydrophobicContact CG-CG1 4Å; M905-I921 HydrophobicContact CG-CG2 3.68Å; M905-I921 WeakPolarHBondContact O-CG2 3.38Å; M905-V925 HydrophobicContact CB-CG2 4.47Å; M905-F978 HydrophobicContact CB-CD1 4.33Å; M905-F978 HydrophobicContact CB-CE1 4.01Å; M905-F978 HydrophobicContact CE-CD1 4.2Å; M905-L981 HydrophobicContact CE-CB 3.81Å; M905-L981 HydrophobicContact CG-CD1 4.16Å; M905-L981 HydrophobicContact SD-CB 4.13Å; M905-W989 HydrophobicContact SD-CH2 4.06Å
906E90.7Very high84.3Confident66 Ų6677.6 Ų77.631%0.30838%0.378SS..Hα-helixtrans-65.7-50.6171-71.9167131.600110.2C902 Q903 E908 A909 E910 V925 Q929C902-E906 WeakPolarHBondContact CB-OE2 3.46Å; C902-E906 WeakPolarHBondContact O-CB 3.43Å; C902-E906 WeakPolarHBondContact O-CG 3.5Å; C902-E906 PolarHBondContact O-N 2.89Å; Q903-E906 PolarHBondContact N-OE2 3.15Å; E906-E908 PolarHBondContact O-N 2.96Å; E906-A909 CarbonylContact O-C 3.56Å; E906-A909 WeakPolarHBondContact O-CA 3.29Å; E906-A909 WeakPolarHBondContact O-CB 3.32Å; E906-A909 PolarHBondContact O-N 3.05Å; E906-E910 PolarHBondContact O-N 3Å; E906-V925 HydrophobicContact CG-CG1 3.91Å; E906-V925 HydrophobicContact CG-CG2 4.05Å; E906-V925 VanDerWaalsContact OE1-CG1 3.29Å; E906-V925 WeakPolarHBondContact OE1-CG1 3.46Å; E906-Q929 PolarHBondContact OE1-NE2 3.18Å
907R89.5Confident82.8Confident150 Ų15073.7 Ų73.757%0.56636%0.361SS*.Hα-helixtrans-54.2-40.6171.2-177.6-166.4-50.4-80.9-10112.5Q903 A909 E910 E911Q903-R907 VanDerWaalsContact O-CB 3.24Å; Q903-R907 WeakPolarHBondContact O-CB 3.41Å; Q903-R907 PolarHBondContact O-N 3.27Å; R907-A909 VanDerWaalsContact C-N 3.3Å; R907-A909 PolarHBondContact O-N 3.1Å; R907-E910 WeakPolarHBondContact O-CB 3.5Å; R907-E910 PolarHBondContact O-N 3.34Å; R907-E910 VanDerWaalsContact O-N 3.15Å; R907-E911 WeakPolarHBondContact O-CB 3.36Å; R907-E911 PolarHBondContact O-N 3.21Å
908E85Confident81.6Confident19 Ų1970 Ų709%0.08935%0.348CS..Hα-helixtrans-66.2-32.3178.2-168.769.4-166.400112.5N904 M905 E906 E910 N912 K985 W989N904-E908 WeakPolarHBondContact O-CB 3.48Å; N904-E908 PolarHBondContact O-N 2.79Å; M905-E908 WeakPolarHBondContact O-CB 3.07Å; M905-E908 PolarHBondContact O-N 3.47Å; M905-E908 HydrophobicContact SD-CB 4.47Å; E906-E908 PolarHBondContact O-N 2.96Å; E908-E910 VanDerWaalsContact C-N 3.34Å; E908-N912 VanDerWaalsContact CD-ND2 3.3Å; E908-N912 WeakPolarHBondContact O-CB 3.33Å; E908-N912 PolarHBondContact O-N 3.14Å; E908-N912 PolarHBondContact O-ND2 3.47Å; E908-N912 PolarHBondContact OE1-ND2 3.33Å; E908-K985 HydrophobicContact CG-CD 4Å; E908-K985 VanDerWaalsContact OE1-CD 3.27Å; E908-K985 WeakPolarHBondContact OE1-CD 3.31Å; E908-K985 WeakPolarHBondContact OE1-CE 3.34Å; E908-K985 IonicContact OE1-NZ 2.63Å; E908-K985 PolarHBondContact OE1-NZ 3.07Å; E908-K985 WeakPolarHBondContact OE2-CE 3.37Å; E908-K985 IonicContact OE2-NZ 2.67Å; E908-K985 PolarHBondContact OE2-NZ 3.01Å; E908-W989 HydrophobicContact CG-CH2 4.46Å; E908-W989 HydrophobicContact CG-CZ2 3.56Å
909A84.3Confident80.8Confident23 Ų2377.1 Ų77.119%0.1938%0.382CS..Hα-helixtrans-77-18.2172.600000113.7M905 E906 R907 V918 I921M905-A909 PolarHBondContact O-N 3.16Å; E906-A909 CarbonylContact O-C 3.56Å; E906-A909 WeakPolarHBondContact O-CA 3.29Å; E906-A909 WeakPolarHBondContact O-CB 3.32Å; E906-A909 PolarHBondContact O-N 3.05Å; R907-A909 VanDerWaalsContact C-N 3.3Å; R907-A909 PolarHBondContact O-N 3.1Å; A909-V918 HydrophobicContact CB-CG1 4.3Å; A909-V918 HydrophobicContact CB-CG2 4.18Å; A909-I921 HydrophobicContact CB-CD1 3.76Å; A909-I921 HydrophobicContact CB-CG2 4.13Å
910E83.6Confident80.3Confident161 Ų16179.9 Ų79.975%0.75240%0.397SS*.Hα-helixtrans-84.6-36.5170.6-66.7174.6163.900111.7E906 R907 E908E906-E910 PolarHBondContact O-N 3Å; R907-E910 WeakPolarHBondContact O-CB 3.5Å; R907-E910 PolarHBondContact O-N 3.34Å; R907-E910 VanDerWaalsContact O-N 3.15Å; E908-E910 VanDerWaalsContact C-N 3.34Å
911E79.8Confident80Confident150 Ų15078.4 Ų78.470%0.70138%0.381SS*.Hα-helixtrans-79.4-31.3-179.8-171.5169.8177.200112.9R907R907-E911 WeakPolarHBondContact O-CB 3.36Å; R907-E911 PolarHBondContact O-N 3.21Å
912N69.1Low79.8Confident48 Ų4883.8 Ų83.826%0.25740%0.402SS..SBendtrans-102.8110.8172.9-58.1-95.2000110.2E908 L914E908-N912 VanDerWaalsContact CD-ND2 3.3Å; E908-N912 WeakPolarHBondContact O-CB 3.33Å; E908-N912 PolarHBondContact O-N 3.14Å; E908-N912 PolarHBondContact O-ND2 3.47Å; E908-N912 PolarHBondContact OE1-ND2 3.33Å; N912-L914 HydrophobicContact CB-CD1 3.58Å; N912-L914 HydrophobicContact CB-CG 3.74Å; N912-L914 PolarHBondContact O-N 2.97Å
913E64Low79.6Confident196 Ų19686.8 Ų86.892%0.91642%0.423SS*.  trans-68.167174.2-64.8-174.4160.100112.4P915E913-P915 WeakPolarHBondContact O-CD 3.37Å
914L63.1Low79.6Confident36 Ų3682.1 Ų82.119%0.18840%0.402CS..  trans-91.2116.7-174.3-70162.8000111N912 E916 D917 V918 W989N912-L914 HydrophobicContact CB-CD1 3.58Å; N912-L914 HydrophobicContact CB-CG 3.74Å; N912-L914 PolarHBondContact O-N 2.97Å; L914-E916 PolarHBondContact O-N 3.17Å; L914-D917 HydrophobicContact CB-CB 4.38Å; L914-D917 HydrophobicContact CD1-CB 4.26Å; L914-V918 HydrophobicContact CB-CG2 3.86Å; L914-V918 WeakPolarHBondContact O-CG2 3.37Å; L914-W989 HydrophobicContact CD1-CB 4.13Å; L914-W989 HydrophobicContact CD1-CD2 3.44Å; L914-W989 VanDerWaalsContact CD1-CD2 3.44Å; L914-W989 HydrophobicContact CD1-CE3 3.86Å; L914-W989 HydrophobicContact CD1-CG 3.51Å; L914-W989 HydrophobicContact CD2-CB 3.72Å; L914-W989 HydrophobicContact CD2-CG 3.97Å; L914-W989 HydrophobicContact CG-CG 4.37Å
915P56.9Low79.7Confident126 Ų12679 Ų7982%0.81839%0.385SS*.SBendtrans-72-25.7-176.4-21.635.1000114.8E913E913-P915 WeakPolarHBondContact O-CD 3.37Å
916E59.9Low79.9Confident154 Ų15479.8 Ų79.872%0.7240%0.395SS*.SBendtrans-121.8-46.4-169.9-66.1176.3177.800112.7L914 V918 E919L914-E916 PolarHBondContact O-N 3.17Å; E916-V918 PolarHBondContact O-N 3.24Å; E916-V918 VanDerWaalsContact O-N 3.09Å; E916-E919 PolarHBondContact O-N 3.14Å; E916-E919 VanDerWaalsContact O-N 3.17Å
917D64.5Low80.1Confident20 Ų2078.1 Ų78.111%0.10739%0.39CS..THydrogen-bonded Turntrans-64.5-17.8-177.2-65.4-73.4000114.7L914 E919 L920 I921 W989 L991L914-D917 HydrophobicContact CB-CB 4.38Å; L914-D917 HydrophobicContact CD1-CB 4.26Å; D917-E919 PolarHBondContact O-N 2.82Å; D917-L920 WeakPolarHBondContact O-CB 3.43Å; D917-L920 PolarHBondContact O-N 2.79Å; D917-I921 PolarHBondContact O-N 2.96Å; D917-W989 HydrophobicContact CB-CE3 4.01Å; D917-L991 WeakPolarHBondContact OD1-CD2 3.45Å
918V69.3Low80.5Confident15 Ų1571 Ų719%0.09136%0.363CS..Hα-helixtrans-63.6-25.9176.3177.90000111.7A909 L914 E916 L920 I921 R922A909-V918 HydrophobicContact CB-CG1 4.3Å; A909-V918 HydrophobicContact CB-CG2 4.18Å; L914-V918 HydrophobicContact CB-CG2 3.86Å; L914-V918 WeakPolarHBondContact O-CG2 3.37Å; E916-V918 PolarHBondContact O-N 3.24Å; E916-V918 VanDerWaalsContact O-N 3.09Å; V918-L920 VanDerWaalsContact C-N 3.32Å; V918-L920 PolarHBondContact O-N 2.76Å; V918-I921 PolarHBondContact O-N 3.44Å; V918-R922 HydrophobicContact CG1-CG 4.08Å; V918-R922 WeakPolarHBondContact O-CB 3.42Å; V918-R922 VanDerWaalsContact O-CG 3.29Å; V918-R922 WeakPolarHBondContact O-CG 3.28Å; V918-R922 PolarHBondContact O-N 2.93Å
919E78.9Confident81Confident151 Ų15174.1 Ų74.171%0.70638%0.378SS*.Hα-helixtrans-65.4-36.3172-64.4-153.2148.400112.3E916 D917 S923E916-E919 PolarHBondContact O-N 3.14Å; E916-E919 VanDerWaalsContact O-N 3.17Å; D917-E919 PolarHBondContact O-N 2.82Å; E919-S923 WeakPolarHBondContact O-CB 3.21Å; E919-S923 PolarHBondContact O-N 2.82Å
920L85.9Confident81.6Confident85 Ų8578 Ų7845%0.44539%0.394SS..Hα-helixtrans-68.8-38.9176.7-170.366.5000111.1D917 V918 S923 A924 L981 L984D917-L920 WeakPolarHBondContact O-CB 3.43Å; D917-L920 PolarHBondContact O-N 2.79Å; V918-L920 VanDerWaalsContact C-N 3.32Å; V918-L920 PolarHBondContact O-N 2.76Å; L920-S923 PolarHBondContact O-N 3.43Å; L920-A924 PolarHBondContact O-N 2.97Å; L920-L981 HydrophobicContact CB-CD2 4.25Å; L920-L981 HydrophobicContact CD2-CD2 3.75Å; L920-L981 HydrophobicContact CG-CD2 3.79Å; L920-L981 HydrophobicContact CG-CG 4.46Å; L920-L984 HydrophobicContact CD2-CD2 3.76Å
921I88.6Confident82.2Confident2 Ų271 Ų711%0.0136%0.361CS..Hα-helixtrans-62.5-55.9172.8-63.8172.1000110.3M905 A909 D917 V918 S923 A924 V925 L981 W989M905-I921 HydrophobicContact CB-CG2 4.22Å; M905-I921 HydrophobicContact CG-CB 4.37Å; M905-I921 HydrophobicContact CG-CD1 4.36Å; M905-I921 HydrophobicContact CG-CG1 4Å; M905-I921 HydrophobicContact CG-CG2 3.68Å; M905-I921 WeakPolarHBondContact O-CG2 3.38Å; A909-I921 HydrophobicContact CB-CD1 3.76Å; A909-I921 HydrophobicContact CB-CG2 4.13Å; D917-I921 PolarHBondContact O-N 2.96Å; V918-I921 PolarHBondContact O-N 3.44Å; I921-S923 PolarHBondContact O-N 3.49Å; I921-A924 PolarHBondContact O-N 3.01Å; I921-A924 VanDerWaalsContact O-N 3.08Å; I921-V925 HydrophobicContact CG2-CG2 4.02Å; I921-V925 WeakPolarHBondContact O-CB 3.39Å; I921-V925 VanDerWaalsContact O-CG2 3.3Å; I921-V925 WeakPolarHBondContact O-CG2 3.38Å; I921-V925 PolarHBondContact O-N 2.67Å; I921-L981 HydrophobicContact CG1-CD1 4.37Å; I921-L981 HydrophobicContact CG1-CD2 3.83Å; I921-W989 HydrophobicContact CD1-CH2 3.66Å; I921-W989 HydrophobicContact CD1-CZ2 4.34Å; I921-W989 HydrophobicContact CD1-CZ3 3.91Å; I921-W989 HydrophobicContact CG1-CH2 4.15Å; I921-W989 HydrophobicContact CG1-CZ3 4.21Å
922R89.8Confident82.9Confident175 Ų17564.4 Ų64.466%0.6633%0.33SS*.Hα-helixtrans-56.7-35.7177.9-72.9174.2-179.7144.44.6112.3V918 G926V918-R922 HydrophobicContact CG1-CG 4.08Å; V918-R922 WeakPolarHBondContact O-CB 3.42Å; V918-R922 VanDerWaalsContact O-CG 3.29Å; V918-R922 WeakPolarHBondContact O-CG 3.28Å; V918-R922 PolarHBondContact O-N 2.93Å; R922-G926 WeakPolarHBondContact O-CA 3.45Å; R922-G926 PolarHBondContact O-N 3.17Å
923S92.1Very high84.2Confident68 Ų6863.8 Ų63.848%0.47633%0.33SS..Hα-helixtrans-69.7-38.7176.2-177.60000113.1E919 L920 I921 S927 R977E919-S923 WeakPolarHBondContact O-CB 3.21Å; E919-S923 PolarHBondContact O-N 2.82Å; L920-S923 PolarHBondContact O-N 3.43Å; I921-S923 PolarHBondContact O-N 3.49Å; S923-S927 VanDerWaalsContact O-CB 3.28Å; S923-S927 WeakPolarHBondContact O-CB 3.42Å; S923-S927 PolarHBondContact O-N 3.14Å; S923-S927 VanDerWaalsContact O-N 3.13Å; S923-S927 PolarHBondContact O-OG 2.81Å; S923-R977 PolarHBondContact O-NH1 2.91Å
924A93.8Very high85.6Confident4 Ų458.9 Ų58.93%0.03331%0.307CS..Hα-helixtrans-70.5-51.1174.100000111.6L920 I921 S927 A928 R977 L981L920-A924 PolarHBondContact O-N 2.97Å; I921-A924 PolarHBondContact O-N 3.01Å; I921-A924 VanDerWaalsContact O-N 3.08Å; A924-S927 PolarHBondContact O-N 3.13Å; A924-S927 VanDerWaalsContact O-N 3.14Å; A924-S927 PolarHBondContact O-OG 3.31Å; A924-A928 PolarHBondContact O-N 3.45Å; A924-R977 HydrophobicContact CB-CB 4.09Å; A924-L981 HydrophobicContact CB-CD1 3.35Å
925V94.9Very high87.1Confident5 Ų560.9 Ų60.93%0.0331%0.314CS..Hα-helixtrans-58.1-51.3178170.10000110.9C902 M905 E906 I921 S927 A928 Q929 F978C902-V925 HydrophobicContact CB-CG1 4.22Å; M905-V925 HydrophobicContact CB-CG2 4.47Å; E906-V925 HydrophobicContact CG-CG1 3.91Å; E906-V925 HydrophobicContact CG-CG2 4.05Å; E906-V925 VanDerWaalsContact OE1-CG1 3.29Å; E906-V925 WeakPolarHBondContact OE1-CG1 3.46Å; I921-V925 HydrophobicContact CG2-CG2 4.02Å; I921-V925 WeakPolarHBondContact O-CB 3.39Å; I921-V925 VanDerWaalsContact O-CG2 3.3Å; I921-V925 WeakPolarHBondContact O-CG2 3.38Å; I921-V925 PolarHBondContact O-N 2.67Å; V925-S927 VanDerWaalsContact C-N 3.27Å; V925-S927 PolarHBondContact O-N 3.28Å; V925-A928 CarbonylContact O-C 3.59Å; V925-A928 WeakPolarHBondContact O-CA 3.29Å; V925-A928 WeakPolarHBondContact O-CB 3.18Å; V925-A928 PolarHBondContact O-N 3.34Å; V925-Q929 HydrophobicContact CG1-CG 4.33Å; V925-Q929 WeakPolarHBondContact O-CG 3.15Å; V925-Q929 PolarHBondContact O-N 2.78Å; V925-F978 HydrophobicContact CG2-CE1 4.03Å; V925-F978 HydrophobicContact CG2-CZ 4.16Å
926G95Very high89Confident22 Ų2255 Ų5523%0.22728%0.276CS..Hα-helixtrans-60-34.9175.700000112.8R922 A928 M930R922-G926 WeakPolarHBondContact O-CA 3.45Å; R922-G926 PolarHBondContact O-N 3.17Å; G926-A928 VanDerWaalsContact C-N 3.33Å; G926-A928 PolarHBondContact O-N 3.37Å; G926-M930 WeakPolarHBondContact O-CB 3.31Å; G926-M930 WeakPolarHBondContact O-CG 3.43Å; G926-M930 PolarHBondContact O-N 3.2Å
927S94.9Very high90.7Very high30 Ų3050.2 Ų50.221%0.2125%0.254CS..Hα-helixtrans-70.3-26.8173.571.60000114S923 A924 V925 L931 R977S923-S927 VanDerWaalsContact O-CB 3.28Å; S923-S927 WeakPolarHBondContact O-CB 3.42Å; S923-S927 PolarHBondContact O-N 3.14Å; S923-S927 VanDerWaalsContact O-N 3.13Å; S923-S927 PolarHBondContact O-OG 2.81Å; A924-S927 PolarHBondContact O-N 3.13Å; A924-S927 VanDerWaalsContact O-N 3.14Å; A924-S927 PolarHBondContact O-OG 3.31Å; V925-S927 VanDerWaalsContact C-N 3.27Å; V925-S927 PolarHBondContact O-N 3.28Å; S927-L931 WeakPolarHBondContact O-CB 3.43Å; S927-L931 PolarHBondContact O-N 3.23Å; S927-R977 WeakPolarHBondContact OG-CD 3.16Å; S927-R977 PolarHBondContact OG-NH1 3.01Å
928A96.7Very high92.1Very high0 Ų052.9 Ų52.90%027%0.266CS..Hα-helixtrans-78.3-47.917300000111.5A924 V925 G926 M930 L931 M932 V974 F978A924-A928 PolarHBondContact O-N 3.45Å; V925-A928 CarbonylContact O-C 3.59Å; V925-A928 WeakPolarHBondContact O-CA 3.29Å; V925-A928 WeakPolarHBondContact O-CB 3.18Å; V925-A928 PolarHBondContact O-N 3.34Å; G926-A928 VanDerWaalsContact C-N 3.33Å; G926-A928 PolarHBondContact O-N 3.37Å; A928-M930 VanDerWaalsContact C-N 3.32Å; A928-M930 PolarHBondContact O-N 3.13Å; A928-L931 WeakPolarHBondContact O-CA 3.49Å; A928-L931 WeakPolarHBondContact O-CB 3.33Å; A928-L931 PolarHBondContact O-N 2.82Å; A928-M932 WeakPolarHBondContact O-CG 3.47Å; A928-M932 PolarHBondContact O-N 2.89Å; A928-V974 HydrophobicContact CB-CG1 3.65Å; A928-F978 HydrophobicContact CB-CE2 3.81Å; A928-F978 HydrophobicContact CB-CZ 4.18Å
929Q95.9Very high93.4Very high86 Ų8652.2 Ų52.240%0.40226%0.261SS..Hα-helixtrans-55.9-44.8173.9-71167.7-12.700111.2E906 V925 L931 M932 S933E906-Q929 PolarHBondContact OE1-NE2 3.18Å; V925-Q929 HydrophobicContact CG1-CG 4.33Å; V925-Q929 WeakPolarHBondContact O-CG 3.15Å; V925-Q929 PolarHBondContact O-N 2.78Å; Q929-L931 VanDerWaalsContact C-N 3.34Å; Q929-L931 PolarHBondContact O-N 3.24Å; Q929-M932 PolarHBondContact O-N 3.43Å; Q929-S933 PolarHBondContact O-N 2.9Å; Q929-S933 PolarHBondContact O-OG 3.44Å
930M96Very high94.2Very high105 Ų10545.8 Ų45.852%0.51723%0.231SC..Hα-helixtrans-65.4-32.2173.8-74.8-77.3-79.100113.5G926 A928 M932 Q934G926-M930 WeakPolarHBondContact O-CB 3.31Å; G926-M930 WeakPolarHBondContact O-CG 3.43Å; G926-M930 PolarHBondContact O-N 3.2Å; A928-M930 VanDerWaalsContact C-N 3.32Å; A928-M930 PolarHBondContact O-N 3.13Å; M930-M932 VanDerWaalsContact C-N 3.34Å; M930-Q934 VanDerWaalsContact CE-NE2 3.26Å; M930-Q934 VanDerWaalsContact O-CB 3.28Å; M930-Q934 WeakPolarHBondContact O-CB 3.38Å; M930-Q934 WeakPolarHBondContact O-CG 3.28Å; M930-Q934 PolarHBondContact O-N 3.16Å; M930-Q934 VanDerWaalsContact O-N 3.17Å
931L96.6Very high94.6Very high14 Ų1448.2 Ų48.27%0.07323%0.234CC..Hα-helixtrans-68.4-38.1173.6-17564.6000111.2M898 S927 A928 Q929 K935 V936 L967 N970 I971 V974M898-L931 HydrophobicContact SD-CD2 4.06Å; S927-L931 WeakPolarHBondContact O-CB 3.43Å; S927-L931 PolarHBondContact O-N 3.23Å; A928-L931 WeakPolarHBondContact O-CA 3.49Å; A928-L931 WeakPolarHBondContact O-CB 3.33Å; A928-L931 PolarHBondContact O-N 2.82Å; Q929-L931 VanDerWaalsContact C-N 3.34Å; Q929-L931 PolarHBondContact O-N 3.24Å; L931-K935 HydrophobicContact CD1-CB 3.74Å; L931-K935 HydrophobicContact CD1-CG 3.9Å; L931-K935 WeakPolarHBondContact O-CA 3.47Å; L931-K935 PolarHBondContact O-N 2.92Å; L931-V936 PolarHBondContact O-N 2.8Å; L931-V936 VanDerWaalsContact O-N 3.08Å; L931-L967 HydrophobicContact CD1-CD1 4.31Å; L931-N970 HydrophobicContact CD1-CB 3.46Å; L931-N970 VanDerWaalsContact CD1-CB 3.46Å; L931-N970 HydrophobicContact CD2-CB 3.94Å; L931-N970 HydrophobicContact CG-CB 4.38Å; L931-I971 HydrophobicContact CD2-CG1 3.96Å; L931-V974 HydrophobicContact CD2-CB 4.47Å; L931-V974 HydrophobicContact CD2-CG2 3.86Å
932M95.8Very high94.9Very high10 Ų1050.4 Ų50.45%0.04925%0.246CC..Iπ-helixtrans-72.2-52179.1-64.6-172.7-62.300111.6F479 V895 M898 E899 A928 Q929 M930 Q934 V936 Q937F479-M932 HydrophobicContact CE1-CB 4.49Å; F479-M932 HydrophobicContact CZ-CB 4.09Å; V895-M932 HydrophobicContact CG1-SD 4.21Å; M898-M932 HydrophobicContact CB-CE 4.48Å; M898-M932 HydrophobicContact CB-SD 3.68Å; M898-M932 HydrophobicContact CE-CG 3.82Å; M898-M932 HydrophobicContact CE-SD 4.09Å; M898-M932 HydrophobicContact SD-CG 4.41Å; E899-M932 HydrophobicContact CG-CE 3.96Å; E899-M932 HydrophobicContact CG-SD 3.93Å; A928-M932 WeakPolarHBondContact O-CG 3.47Å; A928-M932 PolarHBondContact O-N 2.89Å; Q929-M932 PolarHBondContact O-N 3.43Å; M930-M932 VanDerWaalsContact C-N 3.34Å; M932-Q934 PolarHBondContact O-N 2.83Å; M932-V936 HydrophobicContact CB-CG2 4.48Å; M932-V936 HydrophobicContact CG-CG2 4.24Å; M932-V936 WeakPolarHBondContact O-CB 3.47Å; M932-Q937 PolarHBondContact O-N 3.41Å
933S94.9Very high95.1Very high36 Ų3642 Ų4225%0.25221%0.214SC..Iπ-helixtrans-63.5-26.7178.866.20000113.7Q929 Q937Q929-S933 PolarHBondContact O-N 2.9Å; Q929-S933 PolarHBondContact O-OG 3.44Å; S933-Q937 WeakPolarHBondContact O-CB 3.35Å; S933-Q937 WeakPolarHBondContact O-CG 3.28Å; S933-Q937 PolarHBondContact O-NE2 3.15Å; S933-Q937 PolarHBondContact O-OE1 2.86Å
934Q94.2Very high95.1Very high93 Ų9341.3 Ų41.344%0.43520%0.203SC..Iπ-helixtrans-103.7-56.9-179.2-58.1-1705.400114.6M930 M932 Q938M930-Q934 VanDerWaalsContact CE-NE2 3.26Å; M930-Q934 VanDerWaalsContact O-CB 3.28Å; M930-Q934 WeakPolarHBondContact O-CB 3.38Å; M930-Q934 WeakPolarHBondContact O-CG 3.28Å; M930-Q934 PolarHBondContact O-N 3.16Å; M930-Q934 VanDerWaalsContact O-N 3.17Å; M932-Q934 PolarHBondContact O-N 2.83Å; Q934-Q938 VanDerWaalsContact O-CB 3.32Å; Q934-Q938 WeakPolarHBondContact O-CB 3.14Å; Q934-Q938 WeakPolarHBondContact O-CG 3.2Å; Q934-Q938 PolarHBondContact O-N 3.38Å; Q934-Q938 VanDerWaalsContact O-N 3.16Å
935K94.6Very high95.1Very high77 Ų7745.5 Ų45.534%0.33522%0.222SC..Iπ-helixtrans-93.3-35.1-167.4-62.6-70164.4-162.90113.5L931 F939 L967L931-K935 HydrophobicContact CD1-CB 3.74Å; L931-K935 HydrophobicContact CD1-CG 3.9Å; L931-K935 WeakPolarHBondContact O-CA 3.47Å; L931-K935 PolarHBondContact O-N 2.92Å; K935-F939 WeakPolarHBondContact O-CB 3.29Å; K935-F939 PolarHBondContact O-N 2.93Å; K935-L967 HydrophobicContact CB-CD1 3.7Å
936V96Very high94.9Very high3 Ų346 Ų462%0.01823%0.226CC..Iπ-helixtrans-63.2-50.5167.6165.40000109.5L891 V895 M898 L931 M932 Q938 F939 F940 L967L891-V936 HydrophobicContact CD1-CB 4.17Å; L891-V936 HydrophobicContact CD1-CG1 3.78Å; L891-V936 HydrophobicContact CD1-CG2 3.98Å; L891-V936 HydrophobicContact CD2-CG1 4Å; L891-V936 HydrophobicContact CG-CG1 3.98Å; V895-V936 HydrophobicContact CG2-CB 4.3Å; V895-V936 HydrophobicContact CG2-CG1 3.36Å; V895-V936 HydrophobicContact CG2-CG2 4.01Å; M898-V936 HydrophobicContact CE-CG2 4.04Å; L931-V936 PolarHBondContact O-N 2.8Å; L931-V936 VanDerWaalsContact O-N 3.08Å; M932-V936 HydrophobicContact CB-CG2 4.48Å; M932-V936 HydrophobicContact CG-CG2 4.24Å; M932-V936 WeakPolarHBondContact O-CB 3.47Å; V936-Q938 VanDerWaalsContact C-N 3.32Å; V936-Q938 PolarHBondContact O-N 3.49Å; V936-F939 CarbonylContact O-C 3.58Å; V936-F939 PolarHBondContact O-N 3.17Å; V936-F940 WeakPolarHBondContact O-CB 3.44Å; V936-F940 PolarHBondContact O-N 3.24Å; V936-L967 HydrophobicContact CG2-CD1 4.27Å; V936-L967 HydrophobicContact CG2-CD2 4.46Å
937Q95.4Very high94.7Very high54 Ų5448.3 Ų48.325%0.25223%0.232SC..Hα-helixtrans-58.6-37.8176.2-73.5-16714.300114.1F479 M932 S933 R941F479-Q937 HydrophobicContact CD2-CG 4.35Å; F479-Q937 HydrophobicContact CE2-CG 4.23Å; M932-Q937 PolarHBondContact O-N 3.41Å; S933-Q937 WeakPolarHBondContact O-CB 3.35Å; S933-Q937 WeakPolarHBondContact O-CG 3.28Å; S933-Q937 PolarHBondContact O-NE2 3.15Å; S933-Q937 PolarHBondContact O-OE1 2.86Å; Q937-R941 PolarHBondContact O-N 3.33Å
938Q95Very high94.4Very high76 Ų7650 Ų5036%0.35524%0.239SC..Hα-helixtrans-63.9-41.3173.6-81.3169.96.600111.4Q934 V936 L942 F963Q934-Q938 VanDerWaalsContact O-CB 3.32Å; Q934-Q938 WeakPolarHBondContact O-CB 3.14Å; Q934-Q938 WeakPolarHBondContact O-CG 3.2Å; Q934-Q938 PolarHBondContact O-N 3.38Å; Q934-Q938 VanDerWaalsContact O-N 3.16Å; V936-Q938 VanDerWaalsContact C-N 3.32Å; V936-Q938 PolarHBondContact O-N 3.49Å; Q938-L942 WeakPolarHBondContact O-CG 3.47Å; Q938-L942 PolarHBondContact O-N 3.41Å; Q938-F963 HydrophobicContact CB-CZ 3.86Å
939F96.5Very high93.7Very high0 Ų055.8 Ų55.80%028%0.277CS..Hα-helixtrans-72-38.6177.9-169.9-120.8000113.3F887 L891 K935 V936 R941 L942 C943 L960 F963 W964 L967F887-F939 HydrophobicContact CB-CE1 3.86Å; F887-F939 HydrophobicContact CB-CZ 3.7Å; F887-F939 HydrophobicContact CD1-CE1 4.18Å; F887-F939 AromaticContact CD1-CZ 3.71Å; F887-F939 HydrophobicContact CD1-CZ 3.71Å; F887-F939 HydrophobicContact CD2-CZ 4.44Å; F887-F939 HydrophobicContact CE1-CZ 4.43Å; F887-F939 HydrophobicContact CG-CE1 4.27Å; F887-F939 AromaticContact CG-CZ 3.72Å; F887-F939 HydrophobicContact CG-CZ 3.72Å; L891-F939 HydrophobicContact CB-CD1 4.38Å; L891-F939 HydrophobicContact CD1-CD1 3.89Å; L891-F939 HydrophobicContact CD2-CD1 3.95Å; L891-F939 HydrophobicContact CG-CD1 4.29Å; K935-F939 WeakPolarHBondContact O-CB 3.29Å; K935-F939 PolarHBondContact O-N 2.93Å; V936-F939 CarbonylContact O-C 3.58Å; V936-F939 PolarHBondContact O-N 3.17Å; F939-R941 PolarHBondContact O-N 2.87Å; F939-L942 PolarHBondContact O-N 2.91Å; F939-C943 VanDerWaalsContact CE1-SG 3.6Å; F939-C943 VanDerWaalsContact CZ-SG 3.56Å; F939-C943 PolarHBondContact O-N 2.99Å; F939-C943 PolarHBondContact O-SG 2.87Å; F939-L960 HydrophobicContact CE2-CB 4.26Å; F939-L960 HydrophobicContact CE2-CD2 4.25Å; F939-L960 WeakPolarHBondContact CE2-O 3.32Å; F939-F963 HydrophobicContact CB-CD1 3.79Å; F939-F963 HydrophobicContact CB-CE1 3.73Å; F939-F963 HydrophobicContact CD2-CB 3.88Å; F939-F963 AromaticContact CD2-CD1 3.4Å; F939-F963 HydrophobicContact CD2-CD1 3.4Å; F939-F963 VanDerWaalsContact CD2-CD1 3.4Å; F939-F963 HydrophobicContact CD2-CE1 4.22Å; F939-F963 AromaticContact CD2-CG 3.87Å; F939-F963 HydrophobicContact CD2-CG 3.87Å; F939-F963 HydrophobicContact CE2-CB 4.04Å; F939-F963 HydrophobicContact CE2-CD1 4.31Å; F939-F963 AromaticContact CG-CD1 3.9Å; F939-F963 HydrophobicContact CG-CD1 3.9Å; F939-F963 HydrophobicContact CG-CE1 4.35Å; F939-W964 AromaticContact CD1-CE3 3.99Å; F939-W964 HydrophobicContact CD1-CE3 3.99Å; F939-W964 HydrophobicContact CD1-CZ3 4.45Å; F939-W964 HydrophobicContact CE1-CB 4.41Å; F939-W964 HydrophobicContact CE1-CD2 4.32Å; F939-W964 AromaticContact CE1-CE3 3.46Å; F939-W964 HydrophobicContact CE1-CE3 3.46Å; F939-W964 VanDerWaalsContact CE1-CE3 3.46Å; F939-W964 HydrophobicContact CE1-CZ3 4.14Å; F939-W964 HydrophobicContact CE2-CB 4.2Å; F939-W964 HydrophobicContact CZ-CB 3.79Å; F939-W964 HydrophobicContact CZ-CE3 4.03Å; F939-W964 HydrophobicContact CZ-CG 4.47Å; F939-L967 HydrophobicContact CB-CD2 3.82Å; F939-L967 HydrophobicContact CD1-CD2 3.82Å; F939-L967 HydrophobicContact CG-CD2 3.96Å
940F95.7Very high93.3Very high17 Ų1756.3 Ų56.38%0.07529%0.29CS..Hα-helixtrans-55.5-51.7175.2178.3-110.3000111F471 L888 L891 V936 L942 C943 Q944F471-F940 AromaticContact CD1-CD2 3.8Å; F471-F940 HydrophobicContact CD1-CD2 3.8Å; F471-F940 AromaticContact CD1-CE2 3.31Å; F471-F940 HydrophobicContact CD1-CE2 3.31Å; F471-F940 AromaticContact CD1-CZ 3.73Å; F471-F940 HydrophobicContact CD1-CZ 3.73Å; F471-F940 HydrophobicContact CE1-CD1 4.43Å; F471-F940 AromaticContact CE1-CD2 3.32Å; F471-F940 HydrophobicContact CE1-CD2 3.32Å; F471-F940 HydrophobicContact CE1-CE1 4.45Å; F471-F940 AromaticContact CE1-CE2 3.38Å; F471-F940 HydrophobicContact CE1-CE2 3.38Å; F471-F940 AromaticContact CE1-CG 3.91Å; F471-F940 HydrophobicContact CE1-CG 3.91Å; F471-F940 AromaticContact CE1-CZ 3.97Å; F471-F940 HydrophobicContact CE1-CZ 3.97Å; F471-F940 HydrophobicContact CG-CE2 4.49Å; F471-F940 HydrophobicContact CZ-CD2 4.28Å; L888-F940 HydrophobicContact CD2-CD2 3.3Å; L888-F940 HydrophobicContact CD2-CE2 3.55Å; L888-F940 HydrophobicContact CD2-CG 4.35Å; L891-F940 HydrophobicContact CD2-CB 3.86Å; L891-F940 HydrophobicContact CD2-CD2 4.42Å; V936-F940 WeakPolarHBondContact O-CB 3.44Å; V936-F940 PolarHBondContact O-N 3.24Å; F940-L942 PolarHBondContact O-N 3.39Å; F940-C943 WeakPolarHBondContact O-CB 3.37Å; F940-C943 PolarHBondContact O-N 3.25Å; F940-C943 VanDerWaalsContact O-N 3.08Å; F940-Q944 HydrophobicContact CE1-CG 4.18Å; F940-Q944 VanDerWaalsContact CE1-NE2 3.27Å; F940-Q944 HydrophobicContact CE2-CG 4.4Å; F940-Q944 HydrophobicContact CZ-CG 4.11Å; F940-Q944 VanDerWaalsContact CZ-NE2 3.34Å; F940-Q944 PolarHBondContact O-N 3.27Å
941R94.6Very high92.8Very high135 Ų13552.3 Ų52.351%0.50927%0.273SS..Hα-helixtrans-63.2-37.2176.9-74.7-173.1-76.6177.5-13.5113.2Q937 F939 C943 Q944 Q945Q937-R941 PolarHBondContact O-N 3.33Å; F939-R941 PolarHBondContact O-N 2.87Å; R941-C943 VanDerWaalsContact C-N 3.33Å; R941-Q944 PolarHBondContact O-N 3.37Å; R941-Q945 WeakPolarHBondContact O-CB 3.29Å; R941-Q945 WeakPolarHBondContact O-CG 3.43Å; R941-Q945 PolarHBondContact O-N 3.21Å
942L94.2Very high91.8Very high48 Ų4862.1 Ų62.125%0.25131%0.311SS..Hα-helixtrans-64-37.7172.6-73.7168.6000112Q938 F939 F940 S946 P955 L960 F963Q938-L942 WeakPolarHBondContact O-CG 3.47Å; Q938-L942 PolarHBondContact O-N 3.41Å; F939-L942 PolarHBondContact O-N 2.91Å; F940-L942 PolarHBondContact O-N 3.39Å; L942-S946 PolarHBondContact O-N 3.37Å; L942-P955 HydrophobicContact CD2-CG 4.01Å; L942-L960 HydrophobicContact CB-CD2 4.04Å; L942-F963 HydrophobicContact CD1-CD2 3.51Å; L942-F963 HydrophobicContact CD1-CE2 3.72Å; L942-F963 HydrophobicContact CD1-CG 3.97Å; L942-F963 HydrophobicContact CD1-CZ 4.34Å
943C94.3Very high91.2Very high0 Ų066.4 Ų66.40%034%0.34CS..Hα-helixtrans-68.1-45.9175.5-63.60000111.4L888 F939 F940 R941 Q945 S946 I947L888-C943 HydrophobicContact CD2-CB 3.56Å; L888-C943 HydrophobicContact CG-CB 3.75Å; F939-C943 VanDerWaalsContact CE1-SG 3.6Å; F939-C943 VanDerWaalsContact CZ-SG 3.56Å; F939-C943 PolarHBondContact O-N 2.99Å; F939-C943 PolarHBondContact O-SG 2.87Å; F940-C943 WeakPolarHBondContact O-CB 3.37Å; F940-C943 PolarHBondContact O-N 3.25Å; F940-C943 VanDerWaalsContact O-N 3.08Å; R941-C943 VanDerWaalsContact C-N 3.33Å; C943-Q945 PolarHBondContact O-N 2.95Å; C943-S946 PolarHBondContact O-N 3.09Å; C943-S946 VanDerWaalsContact O-N 3.09Å; C943-S946 PolarHBondContact O-OG 3.45Å; C943-I947 WeakPolarHBondContact O-CG1 3.36Å; C943-I947 PolarHBondContact O-N 3.05Å
944Q93.1Very high90.8Very high53 Ų5369.7 Ų69.725%0.24835%0.351CS..Hα-helixtrans-54.7-49.3172.2-70.9177.9-49.200111.4E472 F940 R941 S946 I947 D948E472-Q944 PolarHBondContact OE1-NE2 2.99Å; F940-Q944 HydrophobicContact CE1-CG 4.18Å; F940-Q944 VanDerWaalsContact CE1-NE2 3.27Å; F940-Q944 HydrophobicContact CE2-CG 4.4Å; F940-Q944 HydrophobicContact CZ-CG 4.11Å; F940-Q944 VanDerWaalsContact CZ-NE2 3.34Å; F940-Q944 PolarHBondContact O-N 3.27Å; R941-Q944 PolarHBondContact O-N 3.37Å; Q944-S946 PolarHBondContact O-N 2.75Å; Q944-I947 PolarHBondContact O-N 2.9Å; Q944-D948 PolarHBondContact O-N 3.24Å
945Q92.9Very high90.6Very high91 Ų9166 Ų6643%0.42534%0.335SS..Hα-helixtrans-62.7-22.4177.2-74.6171.4-8.800114.2R941 C943 A951 P955R941-Q945 WeakPolarHBondContact O-CB 3.29Å; R941-Q945 WeakPolarHBondContact O-CG 3.43Å; R941-Q945 PolarHBondContact O-N 3.21Å; C943-Q945 PolarHBondContact O-N 2.95Å; Q945-A951 HydrophobicContact CB-CB 4.32Å; Q945-A951 VanDerWaalsContact O-CB 3.31Å; Q945-A951 WeakPolarHBondContact O-CB 3.47Å; Q945-P955 HydrophobicContact CB-CG 3.9Å; Q945-P955 WeakPolarHBondContact O-CD 3.4Å
946S90.8Very high90.4Very high17 Ų1765.9 Ų65.912%0.11934%0.341CS..Hα-helixtrans-80.3-27.8173.8770000113.1G884 L942 C943 Q944 Q954 L960G884-S946 VanDerWaalsContact CA-OG 3.29Å; G884-S946 WeakPolarHBondContact CA-OG 3.11Å; L942-S946 PolarHBondContact O-N 3.37Å; C943-S946 PolarHBondContact O-N 3.09Å; C943-S946 VanDerWaalsContact O-N 3.09Å; C943-S946 PolarHBondContact O-OG 3.45Å; Q944-S946 PolarHBondContact O-N 2.75Å; S946-Q954 PolarHBondContact O-NE2 3.17Å; S946-L960 WeakPolarHBondContact OG-CD1 3.41Å
947I91.2Very high90.1Very high69 Ų6968.7 Ų68.735%0.35436%0.361SS..Hα-helixtrans-81.3-38.7179.2-61.6162.5000110.1E885 L888 C943 Q944 P949E885-I947 HydrophobicContact CG-CD1 4.04Å; E885-I947 HydrophobicContact CG-CG1 4.38Å; L888-I947 HydrophobicContact CD1-CD1 3.56Å; L888-I947 HydrophobicContact CG-CD1 4.42Å; C943-I947 WeakPolarHBondContact O-CG1 3.36Å; C943-I947 PolarHBondContact O-N 3.05Å; Q944-I947 PolarHBondContact O-N 2.9Å; I947-P949 VanDerWaalsContact O-CD 3.27Å; I947-P949 WeakPolarHBondContact O-CD 3.4Å
948D87.3Confident89.9Confident66 Ų6672.5 Ų72.535%0.35338%0.378SS..  trans-65113.3175.4177.68.7000111.4Q944 S950 A951Q944-D948 PolarHBondContact O-N 3.24Å; D948-S950 VanDerWaalsContact CG-OG 3.29Å; D948-S950 PolarHBondContact O-N 3.03Å; D948-S950 WeakPolarHBondContact OD1-CA 3.31Å; D948-S950 WeakPolarHBondContact OD1-CB 3.35Å; D948-S950 PolarHBondContact OD1-N 3.02Å; D948-S950 PolarHBondContact OD1-OG 3.24Å; D948-S950 PolarHBondContact OD2-OG 2.98Å; D948-A951 HydrophobicContact CB-CB 4.11Å; D948-A951 PolarHBondContact O-N 3.08Å
949P83.3Confident89.8Confident122 Ų12272.8 Ų72.879%0.79238%0.383SS*.THydrogen-bonded Turntrans-75-4.4179.134-37000113.4I947I947-P949 VanDerWaalsContact O-CD 3.27Å; I947-P949 WeakPolarHBondContact O-CD 3.4Å
950S87.6Confident89.7Confident96 Ų9672.9 Ų72.967%0.67138%0.383SS*.THydrogen-bonded Turntrans-98.8-11.3176.276.60000113.9D948D948-S950 VanDerWaalsContact CG-OG 3.29Å; D948-S950 PolarHBondContact O-N 3.03Å; D948-S950 WeakPolarHBondContact OD1-CA 3.31Å; D948-S950 WeakPolarHBondContact OD1-CB 3.35Å; D948-S950 PolarHBondContact OD1-N 3.02Å; D948-S950 PolarHBondContact OD1-OG 3.24Å; D948-S950 PolarHBondContact OD2-OG 2.98Å
951A86Confident89.6Confident21 Ų2172.5 Ų72.517%0.17438%0.383CS..  trans-67.5134179.500000112.1Q945 D948 Q954Q945-A951 HydrophobicContact CB-CB 4.32Å; Q945-A951 VanDerWaalsContact O-CB 3.31Å; Q945-A951 WeakPolarHBondContact O-CB 3.47Å; D948-A951 HydrophobicContact CB-CB 4.11Å; D948-A951 PolarHBondContact O-N 3.08Å; A951-Q954 PolarHBondContact O-N 2.87Å
952Y74.8Confident89.6Confident220 Ų22068.8 Ų68.886%0.86338%0.378SS*.SBendtrans-137.8128.7176.1-173.2-91.5000112.2
953P83.9Confident89.6Confident101 Ų10169 Ų6966%0.65638%0.377SS*.SBendcis-70.6133.9-7.130.5-34.5000111.4P955P953-P955 WeakPolarHBondContact O-CD 3.43Å
954Q85.8Confident89.7Confident105 Ų10570 Ų7049%0.49138%0.381SS..PPolyproline II helixtrans-69.8124.5176.3-166.5-176.817.800110S946 A951 T956S946-Q954 PolarHBondContact O-NE2 3.17Å; A951-Q954 PolarHBondContact O-N 2.87Å; Q954-T956 PolarHBondContact O-N 3.46Å
955P89.6Confident89.9Confident16 Ų1672.2 Ų72.210%0.10439%0.394CS..PPolyproline II helixtrans-64.4129.9174.5-20.933.6000111L942 Q945 P953 L960L942-P955 HydrophobicContact CD2-CG 4.01Å; Q945-P955 HydrophobicContact CB-CG 3.9Å; Q945-P955 WeakPolarHBondContact O-CD 3.4Å; P953-P955 WeakPolarHBondContact O-CD 3.43Å; P955-L960 HydrophobicContact CB-CD2 4.24Å
956T90.1Very high90Very high73 Ų7373 Ų7345%0.44840%0.401SS..PPolyproline II helixtrans-78.4158176.3750000111.1Q954 Q958 D959 L960Q954-T956 PolarHBondContact O-N 3.46Å; T956-Q958 PolarHBondContact O-N 2.91Å; T956-Q958 VanDerWaalsContact O-N 3.09Å; T956-Q958 PolarHBondContact OG1-N 3.17Å; T956-D959 VanDerWaalsContact CB-OD2 3.26Å; T956-D959 WeakPolarHBondContact CB-OD2 3.46Å; T956-D959 WeakPolarHBondContact CG2-OD2 3.41Å; T956-D959 PolarHBondContact N-OD2 2.88Å; T956-D959 WeakPolarHBondContact O-CB 3.09Å; T956-D959 PolarHBondContact O-N 2.79Å; T956-D959 VanDerWaalsContact OG1-CG 3.22Å; T956-D959 PolarHBondContact OG1-N 3.22Å; T956-D959 PolarHBondContact OG1-OD2 3.23Å; T956-L960 PolarHBondContact O-N 3.01Å
957S89.8Confident90.2Very high62 Ų6272.3 Ų72.343%0.43440%0.395SS..Hα-helixtrans-55.8-25.2171.850.10000113.6R882 A961R882-S957 WeakPolarHBondContact O-CB 3.4Å; S957-A961 WeakPolarHBondContact O-CB 3.49Å; S957-A961 PolarHBondContact O-N 3.31Å
958Q91.6Very high90.5Very high134 Ų13471.9 Ų71.963%0.62639%0.392SS*.Hα-helixtrans-77.5-35.3174.4-175.357.356.900112.3T956 S962T956-Q958 PolarHBondContact O-N 2.91Å; T956-Q958 VanDerWaalsContact O-N 3.09Å; T956-Q958 PolarHBondContact OG1-N 3.17Å; Q958-S962 WeakPolarHBondContact O-CB 3.4Å; Q958-S962 PolarHBondContact O-N 3.19Å
959D92.9Very high90.9Very high83 Ų8372 Ų7244%0.44439%0.392SS..Hα-helixtrans-67.1-46.1173.6-56.8-54.5000110T956 A961 S962 F963T956-D959 VanDerWaalsContact CB-OD2 3.26Å; T956-D959 WeakPolarHBondContact CB-OD2 3.46Å; T956-D959 WeakPolarHBondContact CG2-OD2 3.41Å; T956-D959 PolarHBondContact N-OD2 2.88Å; T956-D959 WeakPolarHBondContact O-CB 3.09Å; T956-D959 PolarHBondContact O-N 2.79Å; T956-D959 VanDerWaalsContact OG1-CG 3.22Å; T956-D959 PolarHBondContact OG1-N 3.22Å; T956-D959 PolarHBondContact OG1-OD2 3.23Å; D959-A961 PolarHBondContact O-N 3.21Å; D959-S962 PolarHBondContact O-N 3.28Å; D959-S962 VanDerWaalsContact O-N 3.1Å; D959-S962 PolarHBondContact O-OG 3.25Å; D959-F963 PolarHBondContact O-N 3.49Å
960L94.1Very high91.5Very high2 Ų269 Ų691%0.0137%0.369CS..Hα-helixtrans-56.3-48.4173.2-61.9-179.5000111.6F887 F939 L942 S946 P955 T956 S962 F963 W964F887-L960 HydrophobicContact CD2-CB 3.61Å; F887-L960 HydrophobicContact CD2-CD1 3.76Å; F887-L960 HydrophobicContact CD2-CG 4.34Å; F887-L960 HydrophobicContact CE2-CB 3.53Å; F887-L960 HydrophobicContact CE2-CD1 4.28Å; F887-L960 HydrophobicContact CG-CB 4.46Å; F887-L960 HydrophobicContact CZ-CB 4.38Å; F939-L960 HydrophobicContact CE2-CB 4.26Å; F939-L960 HydrophobicContact CE2-CD2 4.25Å; F939-L960 WeakPolarHBondContact CE2-O 3.32Å; L942-L960 HydrophobicContact CB-CD2 4.04Å; S946-L960 WeakPolarHBondContact OG-CD1 3.41Å; P955-L960 HydrophobicContact CB-CD2 4.24Å; T956-L960 PolarHBondContact O-N 3.01Å; L960-S962 VanDerWaalsContact C-N 3.28Å; L960-S962 PolarHBondContact O-N 3.09Å; L960-F963 PolarHBondContact O-N 2.84Å; L960-W964 WeakPolarHBondContact O-CB 3.44Å; L960-W964 PolarHBondContact O-N 2.84Å
961A94.1Very high91.9Very high9 Ų964.5 Ų64.57%0.07434%0.338CS..Hα-helixtrans-59.1-39.1176.400000112.3F887 S957 D959 W964 D965F887-A961 HydrophobicContact CE2-CB 4.49Å; F887-A961 HydrophobicContact CZ-CB 3.92Å; S957-A961 WeakPolarHBondContact O-CB 3.49Å; S957-A961 PolarHBondContact O-N 3.31Å; D959-A961 PolarHBondContact O-N 3.21Å; A961-W964 PolarHBondContact O-N 2.84Å; A961-D965 PolarHBondContact O-N 3.21Å
962S94.3Very high92.4Very high57 Ų5767 Ų6740%0.39935%0.346SS..Hα-helixtrans-70.1-36.6177.9800000113.1Q958 D959 L960 L966Q958-S962 WeakPolarHBondContact O-CB 3.4Å; Q958-S962 PolarHBondContact O-N 3.19Å; D959-S962 PolarHBondContact O-N 3.28Å; D959-S962 VanDerWaalsContact O-N 3.1Å; D959-S962 PolarHBondContact O-OG 3.25Å; L960-S962 VanDerWaalsContact C-N 3.28Å; L960-S962 PolarHBondContact O-N 3.09Å; S962-L966 WeakPolarHBondContact O-CD1 3.32Å; S962-L966 PolarHBondContact O-N 2.87Å
963F95.2Very high93.4Very high51 Ų5159.5 Ų59.522%0.22432%0.321CS..Hα-helixtrans-71.2-39.2174.6-160.6-71.9000110.7Q938 F939 L942 D959 L960 L966 L967Q938-F963 HydrophobicContact CB-CZ 3.86Å; F939-F963 HydrophobicContact CB-CD1 3.79Å; F939-F963 HydrophobicContact CB-CE1 3.73Å; F939-F963 HydrophobicContact CD2-CB 3.88Å; F939-F963 AromaticContact CD2-CD1 3.4Å; F939-F963 HydrophobicContact CD2-CD1 3.4Å; F939-F963 VanDerWaalsContact CD2-CD1 3.4Å; F939-F963 HydrophobicContact CD2-CE1 4.22Å; F939-F963 AromaticContact CD2-CG 3.87Å; F939-F963 HydrophobicContact CD2-CG 3.87Å; F939-F963 HydrophobicContact CE2-CB 4.04Å; F939-F963 HydrophobicContact CE2-CD1 4.31Å; F939-F963 AromaticContact CG-CD1 3.9Å; F939-F963 HydrophobicContact CG-CD1 3.9Å; F939-F963 HydrophobicContact CG-CE1 4.35Å; L942-F963 HydrophobicContact CD1-CD2 3.51Å; L942-F963 HydrophobicContact CD1-CE2 3.72Å; L942-F963 HydrophobicContact CD1-CG 3.97Å; L942-F963 HydrophobicContact CD1-CZ 4.34Å; D959-F963 PolarHBondContact O-N 3.49Å; L960-F963 PolarHBondContact O-N 2.84Å; F963-L966 CarbonylContact O-C 3.57Å; F963-L966 WeakPolarHBondContact O-CB 3.42Å; F963-L966 PolarHBondContact O-N 3.28Å; F963-L967 HydrophobicContact CD1-CB 4.49Å; F963-L967 WeakPolarHBondContact O-CB 3.26Å; F963-L967 PolarHBondContact O-N 3.3Å
964W96Very high93.9Very high22 Ų2255.1 Ų55.18%0.08329%0.292CS..Hα-helixtrans-60.5-45.6174.5179.4-106.3000112.3F887 L890 L891 E894 F939 L960 A961 L966 L967 Q968F887-W964 HydrophobicContact CD1-CB 4.11Å; F887-W964 HydrophobicContact CD1-CD2 4.27Å; F887-W964 HydrophobicContact CD1-CG 4.01Å; F887-W964 HydrophobicContact CE1-CB 3.7Å; F887-W964 AromaticContact CE1-CD1 3.9Å; F887-W964 HydrophobicContact CE1-CD2 4.36Å; F887-W964 AromaticContact CE1-CG 3.67Å; F887-W964 HydrophobicContact CE1-CG 3.67Å; F887-W964 HydrophobicContact CZ-CB 4.44Å; L890-W964 HydrophobicContact CD1-CZ2 4.29Å; L890-W964 HydrophobicContact CD2-CD2 4.38Å; L890-W964 HydrophobicContact CD2-CH2 4.19Å; L890-W964 HydrophobicContact CD2-CZ2 3.44Å; L890-W964 VanDerWaalsContact CD2-CZ2 3.44Å; L890-W964 HydrophobicContact CG-CH2 3.79Å; L890-W964 HydrophobicContact CG-CZ2 3.47Å; L890-W964 VanDerWaalsContact CG-CZ2 3.47Å; L891-W964 HydrophobicContact CB-CZ3 4.44Å; L891-W964 HydrophobicContact CD1-CZ3 4.06Å; E894-W964 HydrophobicContact CB-CH2 4.2Å; E894-W964 HydrophobicContact CG-CH2 4.3Å; F939-W964 AromaticContact CD1-CE3 3.99Å; F939-W964 HydrophobicContact CD1-CE3 3.99Å; F939-W964 HydrophobicContact CD1-CZ3 4.45Å; F939-W964 HydrophobicContact CE1-CB 4.41Å; F939-W964 HydrophobicContact CE1-CD2 4.32Å; F939-W964 AromaticContact CE1-CE3 3.46Å; F939-W964 HydrophobicContact CE1-CE3 3.46Å; F939-W964 VanDerWaalsContact CE1-CE3 3.46Å; F939-W964 HydrophobicContact CE1-CZ3 4.14Å; F939-W964 HydrophobicContact CE2-CB 4.2Å; F939-W964 HydrophobicContact CZ-CB 3.79Å; F939-W964 HydrophobicContact CZ-CE3 4.03Å; F939-W964 HydrophobicContact CZ-CG 4.47Å; L960-W964 WeakPolarHBondContact O-CB 3.44Å; L960-W964 PolarHBondContact O-N 2.84Å; A961-W964 PolarHBondContact O-N 2.84Å; W964-L966 PolarHBondContact O-N 3.29Å; W964-L967 HydrophobicContact CE3-CD2 4.06Å; W964-L967 HydrophobicContact CZ3-CD2 4.06Å; W964-L967 PolarHBondContact O-N 2.83Å; W964-L967 VanDerWaalsContact O-N 3.14Å; W964-Q968 HydrophobicContact CD2-CG 4.09Å; W964-Q968 HydrophobicContact CG-CG 4.48Å; W964-Q968 HydrophobicContact CH2-CG 4.38Å; W964-Q968 HydrophobicContact CZ2-CG 3.68Å; W964-Q968 WeakPolarHBondContact O-CB 3.11Å; W964-Q968 WeakPolarHBondContact O-CG 3.42Å; W964-Q968 PolarHBondContact O-N 3.34Å
965D96Very high94.4Very high99 Ų9954.5 Ų54.553%0.52929%0.286SS..Hα-helixtrans-59.5-36.1174.5-78.5-8000111.7A961 L969A961-D965 PolarHBondContact O-N 3.21Å; D965-L969 WeakPolarHBondContact O-CG 3.32Å; D965-L969 PolarHBondContact O-N 3Å
966L95.4Very high94.7Very high108 Ų10855.9 Ų55.957%0.56529%0.294SS*.Hα-helixtrans-71-41.8173.1-100.166.3000112.4S962 F963 W964 L969 N970S962-L966 WeakPolarHBondContact O-CD1 3.32Å; S962-L966 PolarHBondContact O-N 2.87Å; F963-L966 CarbonylContact O-C 3.57Å; F963-L966 WeakPolarHBondContact O-CB 3.42Å; F963-L966 PolarHBondContact O-N 3.28Å; W964-L966 PolarHBondContact O-N 3.29Å; L966-L969 PolarHBondContact O-N 3.04Å; L966-N970 PolarHBondContact O-N 3.19Å; L966-N970 PolarHBondContact O-ND2 2.98Å
967L96.4Very high94.8Very high2 Ų258 Ų581%0.0129%0.293CS..Hα-helixtrans-64-47178.9-177.956.8000110.5L891 L931 K935 V936 F939 F963 W964 L969 N970 I971L891-L967 HydrophobicContact CD1-CD2 3.64Å; L931-L967 HydrophobicContact CD1-CD1 4.31Å; K935-L967 HydrophobicContact CB-CD1 3.7Å; V936-L967 HydrophobicContact CG2-CD1 4.27Å; V936-L967 HydrophobicContact CG2-CD2 4.46Å; F939-L967 HydrophobicContact CB-CD2 3.82Å; F939-L967 HydrophobicContact CD1-CD2 3.82Å; F939-L967 HydrophobicContact CG-CD2 3.96Å; F963-L967 HydrophobicContact CD1-CB 4.49Å; F963-L967 WeakPolarHBondContact O-CB 3.26Å; F963-L967 PolarHBondContact O-N 3.3Å; W964-L967 HydrophobicContact CE3-CD2 4.06Å; W964-L967 HydrophobicContact CZ3-CD2 4.06Å; W964-L967 PolarHBondContact O-N 2.83Å; W964-L967 VanDerWaalsContact O-N 3.14Å; L967-L969 VanDerWaalsContact C-N 3.29Å; L967-L969 PolarHBondContact O-N 3.04Å; L967-N970 WeakPolarHBondContact O-CA 3.41Å; L967-N970 PolarHBondContact O-N 3.46Å; L967-I971 HydrophobicContact CD1-CD1 4.37Å; L967-I971 HydrophobicContact CD1-CG1 4.49Å; L967-I971 HydrophobicContact CG-CD1 3.8Å; L967-I971 HydrophobicContact CG-CG1 4.41Å; L967-I971 WeakPolarHBondContact O-CG1 3.2Å; L967-I971 PolarHBondContact O-N 3.11Å
968Q96.1Very high95.1Very high60 Ų6055.5 Ų55.528%0.2828%0.275SS..Hα-helixtrans-56.1-37.3175-82.8-75.7-47.600113.2E894 W964 N970 I971 E972E894-Q968 PolarHBondContact OE2-NE2 3.25Å; W964-Q968 HydrophobicContact CD2-CG 4.09Å; W964-Q968 HydrophobicContact CG-CG 4.48Å; W964-Q968 HydrophobicContact CH2-CG 4.38Å; W964-Q968 HydrophobicContact CZ2-CG 3.68Å; W964-Q968 WeakPolarHBondContact O-CB 3.11Å; W964-Q968 WeakPolarHBondContact O-CG 3.42Å; W964-Q968 PolarHBondContact O-N 3.34Å; Q968-N970 VanDerWaalsContact C-N 3.31Å; Q968-N970 PolarHBondContact O-N 2.85Å; Q968-I971 HydrophobicContact CG-CD1 4.49Å; Q968-I971 PolarHBondContact O-N 3.01Å; Q968-E972 WeakPolarHBondContact O-CB 3.49Å; Q968-E972 PolarHBondContact O-N 3.21Å
969L95.7Very high95.2Very high69 Ų6952.9 Ų52.936%0.36126%0.263SS..Hα-helixtrans-63.8-34.9173.8-74.3171.2000113D965 L966 L967 D973D965-L969 WeakPolarHBondContact O-CG 3.32Å; D965-L969 PolarHBondContact O-N 3Å; L966-L969 PolarHBondContact O-N 3.04Å; L967-L969 VanDerWaalsContact C-N 3.29Å; L967-L969 PolarHBondContact O-N 3.04Å; L969-D973 PolarHBondContact O-N 3.2Å; L969-D973 VanDerWaalsContact O-N 3.17Å
970N95.5Very high95.1Very high58 Ų5851.9 Ų51.931%0.3126%0.257SS..Hα-helixtrans-77.8-37.4176.7-65.6-89000111.5L931 L966 L967 Q968 E972 D973 V974L931-N970 HydrophobicContact CD1-CB 3.46Å; L931-N970 VanDerWaalsContact CD1-CB 3.46Å; L931-N970 HydrophobicContact CD2-CB 3.94Å; L931-N970 HydrophobicContact CG-CB 4.38Å; L966-N970 PolarHBondContact O-N 3.19Å; L966-N970 PolarHBondContact O-ND2 2.98Å; L967-N970 WeakPolarHBondContact O-CA 3.41Å; L967-N970 PolarHBondContact O-N 3.46Å; Q968-N970 VanDerWaalsContact C-N 3.31Å; Q968-N970 PolarHBondContact O-N 2.85Å; N970-E972 VanDerWaalsContact C-N 3.29Å; N970-E972 PolarHBondContact O-N 3.41Å; N970-D973 PolarHBondContact O-N 3.16Å; N970-V974 PolarHBondContact O-N 2.94Å
971I96Very high95Very high3 Ų352 Ų522%0.01526%0.257CS..Hα-helixtrans-60-41.7172.6-63.8156.3000110.1E894 M898 L931 L967 Q968 V974 R975E894-I971 HydrophobicContact CG-CD1 3.54Å; E894-I971 HydrophobicContact CG-CG1 4.29Å; E894-I971 HydrophobicContact CG-CG2 3.97Å; E894-I971 WeakPolarHBondContact OE1-CG2 3.32Å; M898-I971 HydrophobicContact CE-CG1 4.17Å; M898-I971 HydrophobicContact SD-CB 4.45Å; M898-I971 HydrophobicContact SD-CG1 3.96Å; M898-I971 HydrophobicContact SD-CG2 4.09Å; L931-I971 HydrophobicContact CD2-CG1 3.96Å; L967-I971 HydrophobicContact CD1-CD1 4.37Å; L967-I971 HydrophobicContact CD1-CG1 4.49Å; L967-I971 HydrophobicContact CG-CD1 3.8Å; L967-I971 HydrophobicContact CG-CG1 4.41Å; L967-I971 WeakPolarHBondContact O-CG1 3.2Å; L967-I971 PolarHBondContact O-N 3.11Å; Q968-I971 HydrophobicContact CG-CD1 4.49Å; Q968-I971 PolarHBondContact O-N 3.01Å; I971-V974 PolarHBondContact O-N 3.05Å; I971-R975 VanDerWaalsContact O-CB 3.32Å; I971-R975 WeakPolarHBondContact O-CB 3.36Å; I971-R975 PolarHBondContact O-N 3.24Å
972E96.6Very high94.8Very high72 Ų7254.7 Ų54.734%0.33627%0.269SS..Hα-helixtrans-64.5-44175.4-174.766.4-113.300112Q968 N970 V974 R975 V976Q968-E972 WeakPolarHBondContact O-CB 3.49Å; Q968-E972 PolarHBondContact O-N 3.21Å; N970-E972 VanDerWaalsContact C-N 3.29Å; N970-E972 PolarHBondContact O-N 3.41Å; E972-V974 VanDerWaalsContact C-N 3.26Å; E972-V974 PolarHBondContact O-N 3.03Å; E972-R975 PolarHBondContact O-N 3.36Å; E972-R975 IonicContact OE1-CZ 3.69Å; E972-R975 IonicContact OE1-NE 3.51Å; E972-R975 PolarHBondContact OE1-NE 2.59Å; E972-R975 IonicContact OE1-NH2 2.73Å; E972-R975 PolarHBondContact OE1-NH2 2.92Å; E972-R975 IonicContact OE2-CZ 3.97Å; E972-R975 VanDerWaalsContact OE2-CZ 3.32Å; E972-R975 IonicContact OE2-NE 3.58Å; E972-R975 IonicContact OE2-NH2 2.67Å; E972-R975 PolarHBondContact OE2-NH2 3.45Å; E972-V976 WeakPolarHBondContact O-CG2 3.27Å; E972-V976 PolarHBondContact O-N 3.31Å
973D95.4Very high94.5Very high63 Ų6356.9 Ų56.934%0.33727%0.271SS..Hα-helixtrans-62.3-32.6175.2-80.9-29.2000112L969 N970 R977 R1066L969-D973 PolarHBondContact O-N 3.2Å; L969-D973 VanDerWaalsContact O-N 3.17Å; N970-D973 PolarHBondContact O-N 3.16Å; D973-R977 WeakPolarHBondContact O-CG 3.45Å; D973-R1066 IonicContact OD1-CZ 3.88Å; D973-R1066 IonicContact OD1-NE 3.25Å; D973-R1066 IonicContact OD1-NH2 3.15Å; D973-R1066 PolarHBondContact OD1-NH2 3.34Å
974V95.9Very high94.1Very high9 Ų954.9 Ų54.96%0.05526%0.263CS..Hα-helixtrans-71.5-45.4170.5165.70000111.8A928 L931 N970 I971 E972 V976 R977 F978A928-V974 HydrophobicContact CB-CG1 3.65Å; L931-V974 HydrophobicContact CD2-CB 4.47Å; L931-V974 HydrophobicContact CD2-CG2 3.86Å; N970-V974 PolarHBondContact O-N 2.94Å; I971-V974 PolarHBondContact O-N 3.05Å; E972-V974 VanDerWaalsContact C-N 3.26Å; E972-V974 PolarHBondContact O-N 3.03Å; V974-V976 VanDerWaalsContact C-N 3.28Å; V974-V976 PolarHBondContact O-N 2.66Å; V974-R977 WeakPolarHBondContact O-CB 3.47Å; V974-R977 PolarHBondContact O-N 3.06Å; V974-F978 HydrophobicContact CG1-CD2 3.85Å; V974-F978 HydrophobicContact CG1-CE2 3.71Å; V974-F978 PolarHBondContact O-N 3.45Å; V974-F978 VanDerWaalsContact O-N 3.15Å
975R95.8Very high93.6Very high93 Ų9356.9 Ų56.935%0.35127%0.272SS..Hα-helixtrans-58.2-40.1178.6-173.3178.178.6152.61.7111.8W901 I971 E972 R977 F978 Q979W901-R975 HydrophobicContact CH2-CB 3.79Å; W901-R975 HydrophobicContact CH2-CG 3.51Å; W901-R975 HydrophobicContact CZ2-CG 3.94Å; W901-R975 HydrophobicContact CZ3-CB 3.81Å; W901-R975 HydrophobicContact CZ3-CG 3.99Å; I971-R975 VanDerWaalsContact O-CB 3.32Å; I971-R975 WeakPolarHBondContact O-CB 3.36Å; I971-R975 PolarHBondContact O-N 3.24Å; E972-R975 PolarHBondContact O-N 3.36Å; E972-R975 IonicContact OE1-CZ 3.69Å; E972-R975 IonicContact OE1-NE 3.51Å; E972-R975 PolarHBondContact OE1-NE 2.59Å; E972-R975 IonicContact OE1-NH2 2.73Å; E972-R975 PolarHBondContact OE1-NH2 2.92Å; E972-R975 IonicContact OE2-CZ 3.97Å; E972-R975 VanDerWaalsContact OE2-CZ 3.32Å; E972-R975 IonicContact OE2-NE 3.58Å; E972-R975 IonicContact OE2-NH2 2.67Å; E972-R975 PolarHBondContact OE2-NH2 3.45Å; R975-R977 VanDerWaalsContact C-N 3.33Å; R975-R977 PolarHBondContact O-N 3.44Å; R975-F978 PolarHBondContact O-N 2.89Å; R975-Q979 WeakPolarHBondContact O-CG 3.34Å; R975-Q979 PolarHBondContact O-N 3.42Å
976V95.3Very high93.2Very high45 Ų4557.8 Ų57.827%0.27328%0.277SS..Hα-helixtrans-63.5-37.2175.81710000111.6E972 V974 Q979 D980E972-V976 WeakPolarHBondContact O-CG2 3.27Å; E972-V976 PolarHBondContact O-N 3.31Å; V974-V976 VanDerWaalsContact C-N 3.28Å; V974-V976 PolarHBondContact O-N 2.66Å; V976-Q979 PolarHBondContact O-N 3.21Å; V976-D980 PolarHBondContact O-N 3.09Å
977R93.3Very high92.8Very high116 Ų11655.1 Ų55.144%0.43827%0.267SS..Hα-helixtrans-62.2-47.3174-65.8170.4173.4-134.7-10.8111.5S923 A924 S927 D973 V974 R975 Q979 D980 L981S923-R977 PolarHBondContact O-NH1 2.91Å; A924-R977 HydrophobicContact CB-CB 4.09Å; S927-R977 WeakPolarHBondContact OG-CD 3.16Å; S927-R977 PolarHBondContact OG-NH1 3.01Å; D973-R977 WeakPolarHBondContact O-CG 3.45Å; V974-R977 WeakPolarHBondContact O-CB 3.47Å; V974-R977 PolarHBondContact O-N 3.06Å; R975-R977 VanDerWaalsContact C-N 3.33Å; R975-R977 PolarHBondContact O-N 3.44Å; R977-Q979 VanDerWaalsContact C-N 3.33Å; R977-Q979 PolarHBondContact O-N 3.22Å; R977-D980 PolarHBondContact O-N 3.23Å; R977-L981 PolarHBondContact O-N 2.79Å
978F94.7Very high92.1Very high10 Ų1057.3 Ų57.34%0.04429%0.291CS..Hα-helixtrans-64.7-34.8176.1-77.1-69000113.1W901 M905 V925 A928 V974 R975 L981 Q982W901-F978 HydrophobicContact CB-CD1 3.94Å; W901-F978 HydrophobicContact CB-CD2 3.77Å; W901-F978 HydrophobicContact CB-CE1 4Å; W901-F978 HydrophobicContact CB-CE2 3.8Å; W901-F978 HydrophobicContact CB-CG 3.83Å; W901-F978 HydrophobicContact CB-CZ 3.93Å; W901-F978 HydrophobicContact CD2-CD2 4.3Å; W901-F978 AromaticContact CE3-CD2 3.89Å; W901-F978 HydrophobicContact CE3-CD2 3.89Å; W901-F978 HydrophobicContact CE3-CE2 4.35Å; W901-F978 HydrophobicContact CG-CD2 4.3Å; W901-F978 HydrophobicContact CG-CG 4.36Å; W901-F978 WeakPolarHBondContact O-CE1 3.5Å; M905-F978 HydrophobicContact CB-CD1 4.33Å; M905-F978 HydrophobicContact CB-CE1 4.01Å; M905-F978 HydrophobicContact CE-CD1 4.2Å; V925-F978 HydrophobicContact CG2-CE1 4.03Å; V925-F978 HydrophobicContact CG2-CZ 4.16Å; A928-F978 HydrophobicContact CB-CE2 3.81Å; A928-F978 HydrophobicContact CB-CZ 4.18Å; V974-F978 HydrophobicContact CG1-CD2 3.85Å; V974-F978 HydrophobicContact CG1-CE2 3.71Å; V974-F978 PolarHBondContact O-N 3.45Å; V974-F978 VanDerWaalsContact O-N 3.15Å; R975-F978 PolarHBondContact O-N 2.89Å; F978-L981 PolarHBondContact O-N 3.08Å; F978-Q982 WeakPolarHBondContact O-CB 3.23Å; F978-Q982 PolarHBondContact O-N 2.79Å
979Q94.6Very high91.4Very high80 Ų8055.5 Ų55.537%0.37428%0.281SS..Hα-helixtrans-66.8-38.3172.6-73.7177.916.300112.9R975 V976 R977 Q982 K983R975-Q979 WeakPolarHBondContact O-CG 3.34Å; R975-Q979 PolarHBondContact O-N 3.42Å; V976-Q979 PolarHBondContact O-N 3.21Å; R977-Q979 VanDerWaalsContact C-N 3.33Å; R977-Q979 PolarHBondContact O-N 3.22Å; Q979-Q982 PolarHBondContact O-N 3.47Å; Q979-K983 WeakPolarHBondContact O-CD 3.49Å; Q979-K983 WeakPolarHBondContact O-CE 3.49Å; Q979-K983 VanDerWaalsContact O-CG 3.27Å; Q979-K983 WeakPolarHBondContact O-CG 3.38Å; Q979-K983 PolarHBondContact O-N 2.89Å; Q979-K983 VanDerWaalsContact O-N 3.08Å
980D91.4Very high90.1Very high62 Ų6261.5 Ų61.533%0.33230%0.299SS..Hα-helixtrans-72.8-32.9177-76.4-12.5000111.6V976 R977 K983 L984V976-D980 PolarHBondContact O-N 3.09Å; R977-D980 PolarHBondContact O-N 3.23Å; D980-K983 PolarHBondContact O-N 3.32Å; D980-K983 IonicContact OD1-NZ 2.71Å; D980-K983 PolarHBondContact OD1-NZ 3.38Å; D980-L984 PolarHBondContact O-N 3.48Å; D980-L984 VanDerWaalsContact O-N 3.09Å
981L90.4Very high88.7Confident3 Ų363.7 Ų63.72%0.01631%0.31CS..Hα-helixtrans-65.2-42.1167.1-83.2170.9000113M905 L920 I921 A924 R977 F978 K983 L984 K985 W989M905-L981 HydrophobicContact CE-CB 3.81Å; M905-L981 HydrophobicContact CG-CD1 4.16Å; M905-L981 HydrophobicContact SD-CB 4.13Å; L920-L981 HydrophobicContact CB-CD2 4.25Å; L920-L981 HydrophobicContact CD2-CD2 3.75Å; L920-L981 HydrophobicContact CG-CD2 3.79Å; L920-L981 HydrophobicContact CG-CG 4.46Å; I921-L981 HydrophobicContact CG1-CD1 4.37Å; I921-L981 HydrophobicContact CG1-CD2 3.83Å; A924-L981 HydrophobicContact CB-CD1 3.35Å; R977-L981 PolarHBondContact O-N 2.79Å; F978-L981 PolarHBondContact O-N 3.08Å; L981-K983 VanDerWaalsContact C-N 3.29Å; L981-K983 PolarHBondContact O-N 2.88Å; L981-L984 HydrophobicContact CD2-CD2 4.39Å; L981-L984 WeakPolarHBondContact O-CA 3.45Å; L981-L984 WeakPolarHBondContact O-CB 3.11Å; L981-L984 PolarHBondContact O-N 3.42Å; L981-K985 PolarHBondContact O-N 2.92Å; L981-W989 HydrophobicContact CD2-CH2 4.43Å; L981-W989 HydrophobicContact CD2-CZ3 4.08Å
982Q90.6Very high87.1Confident66 Ų6668.4 Ų68.431%0.30834%0.341SS..Hα-helixtrans-60.5-40.1174.9-176.361.75300111.2F978 Q979 L984 K985 D986F978-Q982 WeakPolarHBondContact O-CB 3.23Å; F978-Q982 PolarHBondContact O-N 2.79Å; Q979-Q982 PolarHBondContact O-N 3.47Å; Q982-L984 VanDerWaalsContact C-N 3.29Å; Q982-L984 PolarHBondContact O-N 3.04Å; Q982-K985 WeakPolarHBondContact O-CB 3.33Å; Q982-K985 PolarHBondContact O-N 2.86Å; Q982-D986 PolarHBondContact NE2-OD1 3.28Å; Q982-D986 WeakPolarHBondContact O-CB 3.31Å; Q982-D986 PolarHBondContact O-N 3.24Å
983K89Confident84.8Confident103 Ų10370.2 Ų70.245%0.44836%0.359SS..Hα-helixtrans-64.7-32.8174-66.5158.9-149.4160.40112.5Q979 D980 L981 S987Q979-K983 WeakPolarHBondContact O-CD 3.49Å; Q979-K983 WeakPolarHBondContact O-CE 3.49Å; Q979-K983 VanDerWaalsContact O-CG 3.27Å; Q979-K983 WeakPolarHBondContact O-CG 3.38Å; Q979-K983 PolarHBondContact O-N 2.89Å; Q979-K983 VanDerWaalsContact O-N 3.08Å; D980-K983 PolarHBondContact O-N 3.32Å; D980-K983 IonicContact OD1-NZ 2.71Å; D980-K983 PolarHBondContact OD1-NZ 3.38Å; L981-K983 VanDerWaalsContact C-N 3.29Å; L981-K983 PolarHBondContact O-N 2.88Å; K983-S987 PolarHBondContact O-N 3.13Å; K983-S987 VanDerWaalsContact O-N 3.08Å; K983-S987 PolarHBondContact O-OG 2.77Å
984L86.6Confident82.6Confident9 Ų974.6 Ų74.65%0.04738%0.382CS..Hα-helixtrans-68.8-46.2174.7-175.860.8000110.7L920 D980 L981 Q982 D986 S987 G988 W989 L991L920-L984 HydrophobicContact CD2-CD2 3.76Å; D980-L984 PolarHBondContact O-N 3.48Å; D980-L984 VanDerWaalsContact O-N 3.09Å; L981-L984 HydrophobicContact CD2-CD2 4.39Å; L981-L984 WeakPolarHBondContact O-CA 3.45Å; L981-L984 WeakPolarHBondContact O-CB 3.11Å; L981-L984 PolarHBondContact O-N 3.42Å; Q982-L984 VanDerWaalsContact C-N 3.29Å; Q982-L984 PolarHBondContact O-N 3.04Å; L984-D986 PolarHBondContact O-N 3.43Å; L984-S987 PolarHBondContact O-N 2.74Å; L984-S987 VanDerWaalsContact O-N 3.13Å; L984-S987 PolarHBondContact O-OG 3.1Å; L984-G988 PolarHBondContact O-N 3.16Å; L984-W989 HydrophobicContact CB-CE3 4.42Å; L984-W989 HydrophobicContact CB-CZ3 4.32Å; L984-W989 HydrophobicContact CD2-CE3 3.76Å; L984-W989 HydrophobicContact CD2-CZ3 3.8Å; L984-W989 HydrophobicContact CG-CE3 3.66Å; L984-W989 HydrophobicContact CG-CZ3 3.93Å; L984-W989 PolarHBondContact O-N 2.93Å; L984-L991 HydrophobicContact CD1-CD2 4.28Å; L984-L991 HydrophobicContact CD2-CD2 4.28Å
985K86.1Confident80.1Confident65 Ų6582.8 Ų82.828%0.28342%0.417SS..Hα-helixtrans-53.5-50.4168.7178.3179.3173166.50111.8E908 L981 Q982 S987 G988 W989E908-K985 HydrophobicContact CG-CD 4Å; E908-K985 VanDerWaalsContact OE1-CD 3.27Å; E908-K985 WeakPolarHBondContact OE1-CD 3.31Å; E908-K985 WeakPolarHBondContact OE1-CE 3.34Å; E908-K985 IonicContact OE1-NZ 2.63Å; E908-K985 PolarHBondContact OE1-NZ 3.07Å; E908-K985 WeakPolarHBondContact OE2-CE 3.37Å; E908-K985 IonicContact OE2-NZ 2.67Å; E908-K985 PolarHBondContact OE2-NZ 3.01Å; L981-K985 PolarHBondContact O-N 2.92Å; Q982-K985 WeakPolarHBondContact O-CB 3.33Å; Q982-K985 PolarHBondContact O-N 2.86Å; K985-S987 PolarHBondContact O-N 3.11Å; K985-G988 WeakPolarHBondContact O-CA 3.47Å; K985-G988 PolarHBondContact O-N 3.4Å; K985-W989 HydrophobicContact CB-CH2 4.11Å; K985-W989 HydrophobicContact CB-CZ2 3.56Å; K985-W989 HydrophobicContact CG-CZ2 4.04Å
986D87.3Confident77.7Confident117 Ų11787.3 Ų87.363%0.62644%0.44SS*.Hα-helixtrans-62-24.7-179.7-62.9-18.4000112.6Q982 L984 G988Q982-D986 PolarHBondContact NE2-OD1 3.28Å; Q982-D986 WeakPolarHBondContact O-CB 3.31Å; Q982-D986 PolarHBondContact O-N 3.24Å; L984-D986 PolarHBondContact O-N 3.43Å; D986-G988 VanDerWaalsContact C-N 3.33Å
987S85.4Confident75.2Confident52 Ų5293 Ų9336%0.36446%0.463SS..THydrogen-bonded Turntrans-85.42.6171.571.60000115K983 L984 K985 R990K983-S987 PolarHBondContact O-N 3.13Å; K983-S987 VanDerWaalsContact O-N 3.08Å; K983-S987 PolarHBondContact O-OG 2.77Å; L984-S987 PolarHBondContact O-N 2.74Å; L984-S987 VanDerWaalsContact O-N 3.13Å; L984-S987 PolarHBondContact O-OG 3.1Å; K985-S987 PolarHBondContact O-N 3.11Å; S987-R990 PolarHBondContact OG-O 3.25Å
988G81.7Confident72.9Confident49 Ų4994.7 Ų94.751%0.50548%0.481SS..THydrogen-bonded Turntrans72.143.5-176.400000112.9L984 K985 D986 R990L984-G988 PolarHBondContact O-N 3.16Å; K985-G988 WeakPolarHBondContact O-CA 3.47Å; K985-G988 PolarHBondContact O-N 3.4Å; D986-G988 VanDerWaalsContact C-N 3.33Å; G988-R990 PolarHBondContact O-N 3.39Å; G988-R990 VanDerWaalsContact O-N 3.14Å
989W81.5Confident70.7Confident22 Ų22102.9 Ų102.98%0.08352%0.517CS..SBendtrans57.124.5-178.3-61104.8000114.5M905 E908 L914 D917 I921 L981 L984 K985 L991M905-W989 HydrophobicContact SD-CH2 4.06Å; E908-W989 HydrophobicContact CG-CH2 4.46Å; E908-W989 HydrophobicContact CG-CZ2 3.56Å; L914-W989 HydrophobicContact CD1-CB 4.13Å; L914-W989 HydrophobicContact CD1-CD2 3.44Å; L914-W989 VanDerWaalsContact CD1-CD2 3.44Å; L914-W989 HydrophobicContact CD1-CE3 3.86Å; L914-W989 HydrophobicContact CD1-CG 3.51Å; L914-W989 HydrophobicContact CD2-CB 3.72Å; L914-W989 HydrophobicContact CD2-CG 3.97Å; L914-W989 HydrophobicContact CG-CG 4.37Å; D917-W989 HydrophobicContact CB-CE3 4.01Å; I921-W989 HydrophobicContact CD1-CH2 3.66Å; I921-W989 HydrophobicContact CD1-CZ2 4.34Å; I921-W989 HydrophobicContact CD1-CZ3 3.91Å; I921-W989 HydrophobicContact CG1-CH2 4.15Å; I921-W989 HydrophobicContact CG1-CZ3 4.21Å; L981-W989 HydrophobicContact CD2-CH2 4.43Å; L981-W989 HydrophobicContact CD2-CZ3 4.08Å; L984-W989 HydrophobicContact CB-CE3 4.42Å; L984-W989 HydrophobicContact CB-CZ3 4.32Å; L984-W989 HydrophobicContact CD2-CE3 3.76Å; L984-W989 HydrophobicContact CD2-CZ3 3.8Å; L984-W989 HydrophobicContact CG-CE3 3.66Å; L984-W989 HydrophobicContact CG-CZ3 3.93Å; L984-W989 PolarHBondContact O-N 2.93Å; K985-W989 HydrophobicContact CB-CH2 4.11Å; K985-W989 HydrophobicContact CB-CZ2 3.56Å; K985-W989 HydrophobicContact CG-CZ2 4.04Å; W989-L991 PolarHBondContact O-N 2.81Å
990R69.4Low68.1Low194 Ų194108.5 Ų108.573%0.73254%0.539SS*.  trans-91.698.5176.2-68.1178.7-178.8-87.2-7.4109.6S987 G988S987-R990 PolarHBondContact OG-O 3.25Å; G988-R990 PolarHBondContact O-N 3.39Å; G988-R990 VanDerWaalsContact O-N 3.14Å
991L66.4Low65.9Low105 Ų105112.6 Ų112.655%0.5556%0.561SS.*  trans-38.8123.5169.6-72.6171.1000110.1D917 L984 W989 P993D917-L991 WeakPolarHBondContact OD1-CD2 3.45Å; L984-L991 HydrophobicContact CD1-CD2 4.28Å; L984-L991 HydrophobicContact CD2-CD2 4.28Å; W989-L991 PolarHBondContact O-N 2.81Å; L991-P993 VanDerWaalsContact O-N 3.13Å
992P61.1Low64.1Low101 Ų101117.7 Ų117.766%0.65659%0.594SS**  trans-52.9123.5-177.9-28.735.2000109.7D994P992-D994 PolarHBondContact O-N 3.16Å; P992-D994 VanDerWaalsContact O-N 3.13Å
993P49.2Very low62.3Low111 Ų111119.8 Ų119.872%0.72161%0.614SS**  trans-58.7125.3-168.622.4-33.9000109.2L991 K995L991-P993 VanDerWaalsContact O-N 3.13Å; P993-K995 PolarHBondContact O-N 2.67Å
994D48.2Very low60.1Low155 Ų155120.9 Ų120.983%0.82963%0.631SS**  trans-59.598.9-164.4-147.1-16.8000110.3P992 K996P992-D994 PolarHBondContact O-N 3.16Å; P992-D994 VanDerWaalsContact O-N 3.13Å; D994-K996 PolarHBondContact O-N 3.16Å
995K43.5Very low58Low181 Ų181128 Ų12879%0.78767%0.668SS**  trans-74.387174.4-73.1-178.6-174.3171.10105.9P993 E997P993-K995 PolarHBondContact O-N 2.67Å; K995-E997 PolarHBondContact O-N 3.34Å
996K45.3Very low56.4Low188 Ų188130.6 Ų130.682%0.81769%0.692SS**  trans-45.499.4148.1-70.9-175.9178.4179.20106.2D994 D998D994-K996 PolarHBondContact O-N 3.16Å; K996-D998 PolarHBondContact O-N 2.78Å
997E43.8Very low54.3Low163 Ų163134.7 Ų134.776%0.76270%0.704SS**  trans-63.594.8164.6-70.8-166.6126.200105K995 K999K995-E997 PolarHBondContact O-N 3.34Å; E997-K999 WeakPolarHBondContact O-CG 3.32Å; E997-K999 PolarHBondContact O-N 2.98Å
998D44.8Very low52.1Low152 Ų152141.8 Ų141.881%0.81373%0.728SS**  trans-49.7104.1152.5-89.4-45.3000105.1K996 K1000K996-D998 PolarHBondContact O-N 2.78Å; D998-K1000 PolarHBondContact O-N 3.18Å
999K48Very low50Low183 Ų183145.4 Ų145.480%0.79674%0.743SS**  trans-70.568.7-174.4-73.8174.9-177.6169.30108.9E997 L1001E997-K999 WeakPolarHBondContact O-CG 3.32Å; E997-K999 PolarHBondContact O-N 2.98Å; K999-L1001 VanDerWaalsContact C-N 3.32Å; K999-L1001 PolarHBondContact O-N 2.76Å
1000K41Very low48Very low197 Ų197149.2 Ų149.286%0.85778%0.779SS**  trans-65.797.2178-169.7174.9-173.9177.30106.5D998D998-K1000 PolarHBondContact O-N 3.18Å
1001L45.5Very low46.2Very low148 Ų148143.8 Ų143.878%0.77578%0.784SS**  trans-45.9139.4-176-63.3170.8000110K999K999-L1001 VanDerWaalsContact C-N 3.32Å; K999-L1001 PolarHBondContact O-N 2.76Å
1002P52.8Low44.6Very low110 Ų110143 Ų14371%0.71480%0.801SS**PPolyproline II helixtrans-55.1137179.523.9-33.8000109.3
1003P50.8Low43.5Very low111 Ų111144.8 Ų144.872%0.72181%0.81SS**PPolyproline II helixtrans-58.1135.8-176.424.1-33.7000109.8L1005P1003-L1005 PolarHBondContact O-N 3.39Å
1004P42.9Very low42.9Very low126 Ų126145.5 Ų145.582%0.81882%0.817SS**PPolyproline II helixtrans-61.4126.4-174.724.5-33.8000110.2
1005L43.5Very low42.2Very low157 Ų157142 Ų14282%0.82282%0.817SS**PPolyproline II helixtrans-56.8137.7176.9-70.7171.1000110P1003 K1007P1003-L1005 PolarHBondContact O-N 3.39Å; L1005-K1007 PolarHBondContact O-N 3.12Å
1006P51.7Low41.7Very low120 Ų120138.4 Ų138.478%0.77982%0.815SS**PPolyproline II helixtrans-61.2126.6-177.124.3-33.5000110.5K1008P1006-K1008 PolarHBondContact O-N 3.29Å; P1006-K1008 VanDerWaalsContact O-N 3.14Å
1007K43.6Very low41.2Very low204 Ų204136 Ų13689%0.88781%0.811SS**PPolyproline II helixtrans-60.6117.6177.8-67.8-178.5-179.9178.60109.3L1005L1005-K1007 PolarHBondContact O-N 3.12Å
1008K40.2Very low40.7Very low201 Ų201139 Ų13987%0.87482%0.815SS**PPolyproline II helixtrans-63.5122.1173.9-146.1175.4-171179.30108.2P1006 A1010P1006-K1008 PolarHBondContact O-N 3.29Å; P1006-K1008 VanDerWaalsContact O-N 3.14Å; K1008-A1010 PolarHBondContact O-N 2.63Å
1009P35.9Very low40.3Very low125 Ų125136 Ų13681%0.81281%0.812SS**PPolyproline II helixtrans-66.3133.3178.526.7-33.4000109.8
1010A39.6Very low39.6Very low101 Ų101134.2 Ų134.284%0.83581%0.811SS**PPolyproline II helixtrans-98.1141.5176.800000110.5K1008K1008-A1010 PolarHBondContact O-N 2.63Å
1011G33.2Very low39.6Very low81 Ų81129.6 Ų129.684%0.83580%0.803SS**  trans74.181.4162.700000116.4
1012G32.5Very low39.1Very low88 Ų88129.2 Ų129.291%0.90781%0.806SS**  trans-115.386.5163.300000111.1
1013V36.7Very low38.3Very low139 Ų139126.9 Ų126.984%0.84280%0.802SS**  trans-130.889.2173.759.40000111.8
1014S38.3Very low37.4Very low125 Ų125129.7 Ų129.787%0.87481%0.812SS**  trans-173.5121150.2-81.20000106.8
1015G33.4Very low37Very low81 Ų81126.7 Ų126.784%0.83580%0.804SS**  trans-93.9152.2173.700000110.9
1016S32.7Very low36.7Very low107 Ų107126 Ų12675%0.74881%0.805SS**  trans-151.7111.6152.4-159.80000111.6
1017L34.8Very low36Very low137 Ų137126.1 Ų126.172%0.71781%0.809SS**  trans48129.8134.9-62.4178.3000122.1
1018R33.3Very low35.5Very low226 Ų226119.8 Ų119.885%0.85380%0.801SS**  trans82113.1142.5-67.9163-171.6-131.7-0.5118.5
1019A35.6Very low35.3Very low90 Ų90116.1 Ų116.174%0.74480%0.801SS**  trans-83.9154.1143.900000109.9
1020D33.3Very low35.4Very low145 Ų145115.1 Ų115.178%0.77580%0.804SS**  trans-162.2136.8139.1-100.8-47000106.2
1021S40.6Very low35Very low99 Ų99114 Ų11469%0.69280%0.802SS**  59.3128.882.1-43.80000111
1022V36.4Very low35Very low140 Ų140114.4 Ų114.485%0.84881%0.806SS**  cis-150.8162.221.2175.20000106.8
1023G34.3Very low34.8Very low61 Ų61113.9 Ų113.963%0.62980%0.8SS**  cis162.3-1631.200000110.2
1024D33.8Very low35.8Very low171 Ų171114 Ų11491%0.91480%0.804SS**  trans59.5155.8176.1-65.6-53.1000118
1025G33.9Very low35.4Very low63 Ų63111.9 Ų111.965%0.64980%0.802SS**  cis178.7130.1-11.200000115.1
1026V36.3Very low35.2Very low142 Ų142111.6 Ų111.686%0.86180%0.8SS**  trans55.5143.8143.5179.20000122.4
1027S36.6Very low34.9Very low122 Ų122114.4 Ų114.485%0.85381%0.805SS**  trans81149166.377.90000118.5
1028G33.3Very low34.8Very low71 Ų71114.2 Ų114.273%0.73281%0.809SS**  cis179.3138.4-1100000116.8
1029S36.8Very low34.9Very low125 Ų125109 Ų10987%0.87480%0.803SS**  trans52.6130.6143.2-146.70000124.3
1030A37Very low35Very low104 Ų104110.8 Ų110.886%0.8681%0.807SS**  trans63153.2154.800000119.5
1031G32.6Very low35.1Very low78 Ų78115 Ų11580%0.80481%0.811SS**  cis165.6156-9.700000113.1
1032G31.9Very low34.7Very low89 Ų89115.5 Ų115.592%0.91882%0.822SS**  trans98.9143.8169.900000117.1
1033G28.6Very low34.3Very low76 Ų76112.7 Ų112.778%0.78482%0.821SS**  trans-129.2-141.7164.300000108.5
1034P57.3Low34Very low141 Ų141113.5 Ų113.592%0.91683%0.829SS**  cis-135-175.3-15.642.3-26.7000113.2
1035G30.7Very low34.4Very low81 Ų81114.5 Ų114.584%0.83583%0.828SS**  trans122.2157.8149.200000117.3
1036G28.9Very low34.3Very low76 Ų76118.4 Ų118.478%0.78484%0.839SS**  trans125.6127.8165.600000116.2
1037L27.6Very low34.6Very low166 Ų166119.2 Ų119.287%0.86984%0.838SS**  trans-65170.6162.3-81.766.6000109.6
1038V31.1Very low35.1Very low133 Ų133118.7 Ų118.781%0.80683%0.832SS**  cis-158.3161.943.4-144.60000112.7
1039V37.2Very low35.5Very low117 Ų117122 Ų12271%0.70983%0.831SS**  trans-95.5146.6168176.50000109.9
1040P36.9Very low35.6Very low127 Ų127127.5 Ų127.583%0.82583%0.833SS**  -122.4158.2129.3-0.821.6000113.4
1041R35.9Very low35.8Very low233 Ų233130.7 Ų130.788%0.87983%0.83SS**  trans-102.6166.2175-92.5175.260.3116.3-5.5111.5
1042A30.7Very low36.2Very low110 Ų110135 Ų13591%0.90983%0.826SS**  trans71.4147.1173.600000115.6
1043G28.6Very low36.6Very low81 Ų81135.4 Ų135.484%0.83582%0.815SS**  cis168.7139.3-8.300000111.5
1044G28.7Very low37.6Very low78 Ų78138.3 Ų138.380%0.80481%0.812SS**  trans170.9155.6-179.400000113.5
1045H41.3Very low37Very low192 Ų192137.1 Ų137.189%0.88980%0.798SS**  trans-88.5150.1-176.9-67-109.4000112.9
1046T32.2Very low38.2Very low144 Ų144139 Ų13988%0.88379%0.789SS**  trans-167.3139.3133.29.10000111.4
1047L42.4Very low39.6Very low160 Ų160136.9 Ų136.984%0.83877%0.766SS**  trans-92.9162.3162.7-63.9171.6000108.6
1048P47Very low41.1Very low111 Ų111132.7 Ų132.772%0.72175%0.745SS**  -153.6145.710035.5-16.4000118.2
1049I41.1Very low42.6Very low139 Ų139133.5 Ų133.571%0.71373%0.733SS**  trans52.8111.8134.5-52.8167.1000119
1050R40.1Very low44Very low241 Ų241134.8 Ų134.891%0.90973%0.732SS**  trans-146.818.3157.8-148.1-158.4159.489.1-1.3117.4
1051E40.7Very low45.6Very low172 Ų172136.6 Ų136.680%0.80472%0.722SS**SBendtrans-102.3-28.5-174.3-64.4-175.1129.900115S1053E1051-S1053 PolarHBondContact O-N 2.89Å
1052K40.5Very low47.2Very low167 Ų167129.8 Ų129.873%0.72671%0.706SS**THydrogen-bonded Turntrans-67.35-172.2-58.3-174.6179.2-175.70115.8
1053S41.4Very low49.2Very low98 Ų98128.3 Ų128.369%0.68568%0.681SS**THydrogen-bonded Turntrans-98.8-15.1-174.5-169.50000114.6E1051E1051-S1053 PolarHBondContact O-N 2.89Å
1054L48.4Very low51.2Low137 Ų137127.2 Ų127.272%0.71766%0.664SS**THydrogen-bonded Turntrans-86.9-47.7-179.3-66.1174.6000111.5L1056 G1057 D1058L1054-L1056 VanDerWaalsContact C-N 3.32Å; L1054-L1056 PolarHBondContact O-N 2.91Å; L1054-G1057 WeakPolarHBondContact O-CA 3.31Å; L1054-G1057 PolarHBondContact O-N 3.48Å; L1054-D1058 PolarHBondContact O-N 3.26Å
1055D44.8Very low53.7Low117 Ų117132 Ų13263%0.62666%0.657SS**Hα-helixtrans-55.8-41-178-173.156.9000113.3G1057 D1058 R1059D1055-G1057 VanDerWaalsContact C-N 3.28Å; D1055-G1057 PolarHBondContact O-N 3.24Å; D1055-D1058 PolarHBondContact O-N 3.43Å; D1055-R1059 WeakPolarHBondContact O-CB 3.48Å; D1055-R1059 PolarHBondContact O-N 3.33Å
1056L56Low55.8Low121 Ų121129 Ų12963%0.63464%0.638SS**Hα-helixtrans-59.8-36.2173.9-73.7171.5000113L1054 Q1060L1054-L1056 VanDerWaalsContact C-N 3.32Å; L1054-L1056 PolarHBondContact O-N 2.91Å; L1056-Q1060 VanDerWaalsContact O-CB 3.32Å; L1056-Q1060 WeakPolarHBondContact O-CB 3.31Å; L1056-Q1060 PolarHBondContact O-N 3.09Å
1057G59.5Low58.2Low30 Ų30129.3 Ų129.331%0.30962%0.623SS.*Hα-helixtrans-66.9-43.1179.900000112.1L1054 D1055 Q1060 R1061L1054-G1057 WeakPolarHBondContact O-CA 3.31Å; L1054-G1057 PolarHBondContact O-N 3.48Å; D1055-G1057 VanDerWaalsContact C-N 3.28Å; D1055-G1057 PolarHBondContact O-N 3.24Å; G1057-Q1060 PolarHBondContact O-N 3.05Å; G1057-R1061 WeakPolarHBondContact O-CB 3.33Å; G1057-R1061 PolarHBondContact O-N 3.21Å
1058D59.4Low60Low79 Ų79127 Ų12742%0.42261%0.611SS.*Hα-helixtrans-81.7-28.2179.8-71.4-48.9000113.2L1054 D1055 Q1060 R1061 T1062L1054-D1058 PolarHBondContact O-N 3.26Å; D1055-D1058 PolarHBondContact O-N 3.43Å; D1058-Q1060 VanDerWaalsContact C-N 3.34Å; D1058-R1061 PolarHBondContact O-N 2.84Å; D1058-R1061 IonicContact OD1-CZ 3.37Å; D1058-R1061 IonicContact OD1-NE 3.88Å; D1058-R1061 PolarHBondContact OD1-NE 3.03Å; D1058-R1061 IonicContact OD1-NH2 3.14Å; D1058-R1061 PolarHBondContact OD1-NH2 2.73Å; D1058-R1061 IonicContact OD2-NH2 2.71Å; D1058-T1062 WeakPolarHBondContact O-CB 3.32Å; D1058-T1062 WeakPolarHBondContact O-CG2 3.45Å; D1058-T1062 PolarHBondContact O-N 3.21Å; D1058-T1062 PolarHBondContact O-OG1 3.28Å
1059R62.3Low61.4Low149 Ų149124.8 Ų124.856%0.56259%0.593SS**Hα-helixtrans-61-42.7165.4-165.8171.5-175.2125.83.9111D1055 T1062 E1063D1055-R1059 WeakPolarHBondContact O-CB 3.48Å; D1055-R1059 PolarHBondContact O-N 3.33Å; R1059-T1062 WeakPolarHBondContact CA-OG1 3.38Å; R1059-T1062 PolarHBondContact O-OG1 3.26Å; R1059-E1063 WeakPolarHBondContact O-CB 3.23Å; R1059-E1063 PolarHBondContact O-N 3.4Å
1060Q65.2Low62.9Low144 Ų144124.1 Ų124.167%0.67359%0.587SS**Hα-helixtrans-70.2-35.5175.6-166.8172.960.700112.6L1056 G1057 D1058 A1064L1056-Q1060 VanDerWaalsContact O-CB 3.32Å; L1056-Q1060 WeakPolarHBondContact O-CB 3.31Å; L1056-Q1060 PolarHBondContact O-N 3.09Å; G1057-Q1060 PolarHBondContact O-N 3.05Å; D1058-Q1060 VanDerWaalsContact C-N 3.34Å; Q1060-A1064 WeakPolarHBondContact O-CB 3.36Å; Q1060-A1064 PolarHBondContact O-N 3.29Å
1061R70.8Confident64.3Low165 Ų165116.9 Ų116.962%0.62357%0.569SS**Hα-helixtrans-68.1-41.1176.6-152.2-166.6-43.7-92.32.9112.6G1057 D1058 R1065G1057-R1061 WeakPolarHBondContact O-CB 3.33Å; G1057-R1061 PolarHBondContact O-N 3.21Å; D1058-R1061 PolarHBondContact O-N 2.84Å; D1058-R1061 IonicContact OD1-CZ 3.37Å; D1058-R1061 IonicContact OD1-NE 3.88Å; D1058-R1061 PolarHBondContact OD1-NE 3.03Å; D1058-R1061 IonicContact OD1-NH2 3.14Å; D1058-R1061 PolarHBondContact OD1-NH2 2.73Å; D1058-R1061 IonicContact OD2-NH2 2.71Å; R1061-R1065 PolarHBondContact O-N 2.77Å; R1061-R1065 VanDerWaalsContact O-N 3.12Å
1062T69.8Low66Low90 Ų90115.3 Ų115.355%0.55256%0.56SS**Hα-helixtrans-70.4-39.5175.249.10000111.5D1058 R1059 R1065 R1066D1058-T1062 WeakPolarHBondContact O-CB 3.32Å; D1058-T1062 WeakPolarHBondContact O-CG2 3.45Å; D1058-T1062 PolarHBondContact O-N 3.21Å; D1058-T1062 PolarHBondContact O-OG1 3.28Å; R1059-T1062 WeakPolarHBondContact CA-OG1 3.38Å; R1059-T1062 PolarHBondContact O-OG1 3.26Å; T1062-R1065 WeakPolarHBondContact O-CB 3.38Å; T1062-R1065 PolarHBondContact O-N 3.21Å; T1062-R1066 PolarHBondContact O-N 2.93Å
1063E73.6Confident67.6Low80 Ų80114.6 Ų114.637%0.37455%0.553SS.*Hα-helixtrans-63.2-42.7173.1-158.8-160.2163.300112.1R1059 R1065 R1066 R1067R1059-E1063 WeakPolarHBondContact O-CB 3.23Å; R1059-E1063 PolarHBondContact O-N 3.4Å; E1063-R1065 VanDerWaalsContact C-N 3.28Å; E1063-R1065 PolarHBondContact O-N 3.4Å; E1063-R1066 PolarHBondContact O-N 3.31Å; E1063-R1066 VanDerWaalsContact O-N 3.15Å; E1063-R1067 WeakPolarHBondContact O-CB 3.46Å; E1063-R1067 WeakPolarHBondContact O-CG 3.17Å; E1063-R1067 PolarHBondContact O-N 3.19Å; E1063-R1067 IonicContact OE1-CZ 3.32Å; E1063-R1067 IonicContact OE1-NE 3.82Å; E1063-R1067 PolarHBondContact OE1-NE 3.49Å; E1063-R1067 IonicContact OE1-NH2 3.12Å; E1063-R1067 PolarHBondContact OE1-NH2 3.3Å; E1063-R1067 IonicContact OE2-NH2 2.66Å
1064A70.6Confident68.6Low57 Ų57113.8 Ų113.847%0.47154%0.544SS..Hα-helixtrans-59.4-3917400000112.1Q1060 L1068Q1060-A1064 WeakPolarHBondContact O-CB 3.36Å; Q1060-A1064 PolarHBondContact O-N 3.29Å; A1064-L1068 WeakPolarHBondContact O-CB 3.27Å; A1064-L1068 PolarHBondContact O-N 2.9Å
1065R79.8Confident69Low179 Ų179109.7 Ų109.768%0.67553%0.53SS*.Hα-helixtrans-65.8-42.8173.3-172176.6177.9-178.4-2.6111.8R1061 T1062 E1063 L1068 L1069R1061-R1065 PolarHBondContact O-N 2.77Å; R1061-R1065 VanDerWaalsContact O-N 3.12Å; T1062-R1065 WeakPolarHBondContact O-CB 3.38Å; T1062-R1065 PolarHBondContact O-N 3.21Å; E1063-R1065 VanDerWaalsContact C-N 3.28Å; E1063-R1065 PolarHBondContact O-N 3.4Å; R1065-L1068 PolarHBondContact O-N 2.87Å; R1065-L1069 HydrophobicContact CG-CD1 4.23Å; R1065-L1069 VanDerWaalsContact O-CG 3.3Å; R1065-L1069 WeakPolarHBondContact O-CG 3.29Å; R1065-L1069 PolarHBondContact O-N 3.19Å
1066R85.8Confident69.7Low129 Ų129106.9 Ų106.949%0.48752%0.519SS..Hα-helixtrans-61.4-49.2175.6-174.5-176.7-86.6154.4-6.5111.1D973 T1062 E1063 L1068 L1069 Q1070D973-R1066 IonicContact OD1-CZ 3.88Å; D973-R1066 IonicContact OD1-NE 3.25Å; D973-R1066 IonicContact OD1-NH2 3.15Å; D973-R1066 PolarHBondContact OD1-NH2 3.34Å; T1062-R1066 PolarHBondContact O-N 2.93Å; E1063-R1066 PolarHBondContact O-N 3.31Å; E1063-R1066 VanDerWaalsContact O-N 3.15Å; R1066-L1068 PolarHBondContact O-N 3.4Å; R1066-L1069 PolarHBondContact O-N 3.01Å; R1066-Q1070 PolarHBondContact O-N 2.9Å
1067R82.7Confident69.4Low151 Ų151109 Ų10957%0.5752%0.523SS*.Hα-helixtrans-57.8-47.9175.9-70.5177.6-178.4-1507111.6E1063 L1069 Q1070 T1071E1063-R1067 WeakPolarHBondContact O-CB 3.46Å; E1063-R1067 WeakPolarHBondContact O-CG 3.17Å; E1063-R1067 PolarHBondContact O-N 3.19Å; E1063-R1067 IonicContact OE1-CZ 3.32Å; E1063-R1067 IonicContact OE1-NE 3.82Å; E1063-R1067 PolarHBondContact OE1-NE 3.49Å; E1063-R1067 IonicContact OE1-NH2 3.12Å; E1063-R1067 PolarHBondContact OE1-NH2 3.3Å; E1063-R1067 IonicContact OE2-NH2 2.66Å; R1067-L1069 VanDerWaalsContact C-N 3.32Å; R1067-L1069 PolarHBondContact O-N 2.9Å; R1067-Q1070 WeakPolarHBondContact O-CB 3.4Å; R1067-Q1070 PolarHBondContact O-N 2.82Å; R1067-Q1070 VanDerWaalsContact O-N 3.17Å; R1067-T1071 PolarHBondContact O-N 3.49Å; R1067-T1071 PolarHBondContact O-OG1 2.83Å; R1067-T1071 VanDerWaalsContact O-OG1 3.06Å
1068L81.4Confident69.1Low112 Ų112117 Ų11759%0.58654%0.544SS*.Hα-helixtrans-61.2-38177.6-179.162.5000112.8A1064 R1065 R1066 K1072A1064-L1068 WeakPolarHBondContact O-CB 3.27Å; A1064-L1068 PolarHBondContact O-N 2.9Å; R1065-L1068 PolarHBondContact O-N 2.87Å; R1066-L1068 PolarHBondContact O-N 3.4Å; L1068-K1072 PolarHBondContact O-N 2.92Å
1069L76.4Confident68.7Low64 Ų64119.9 Ų119.934%0.33556%0.556SS.*Hα-helixtrans-70.5-36.3175.3-71.6169000112.1R1065 R1066 R1067 K1072 R1073R1065-L1069 HydrophobicContact CG-CD1 4.23Å; R1065-L1069 VanDerWaalsContact O-CG 3.3Å; R1065-L1069 WeakPolarHBondContact O-CG 3.29Å; R1065-L1069 PolarHBondContact O-N 3.19Å; R1066-L1069 PolarHBondContact O-N 3.01Å; R1067-L1069 VanDerWaalsContact C-N 3.32Å; R1067-L1069 PolarHBondContact O-N 2.9Å; L1069-K1072 WeakPolarHBondContact O-CB 3.4Å; L1069-K1072 PolarHBondContact O-N 3.27Å; L1069-R1073 WeakPolarHBondContact O-CG 3.33Å; L1069-R1073 PolarHBondContact O-N 2.91Å
1070Q71.4Confident68Low125 Ų125117.8 Ų117.858%0.58456%0.555SS**Hα-helixtrans-65.5-41.2173.3-165.8174.57.400111.5R1066 R1067 K1072 R1073 T1074R1066-Q1070 PolarHBondContact O-N 2.9Å; R1067-Q1070 WeakPolarHBondContact O-CB 3.4Å; R1067-Q1070 PolarHBondContact O-N 2.82Å; R1067-Q1070 VanDerWaalsContact O-N 3.17Å; Q1070-K1072 VanDerWaalsContact C-N 3.32Å; Q1070-K1072 PolarHBondContact O-N 2.85Å; Q1070-R1073 PolarHBondContact O-N 3.17Å; Q1070-T1074 PolarHBondContact O-N 3.34Å; Q1070-T1074 PolarHBondContact O-OG1 3Å
1071T70.1Confident67.3Low88 Ų88113.8 Ų113.854%0.5454%0.543SS..Hα-helixtrans-62.2-36.8170.2-50.50000112.1R1067 T1074 A1075R1067-T1071 PolarHBondContact O-N 3.49Å; R1067-T1071 PolarHBondContact O-OG1 2.83Å; R1067-T1071 VanDerWaalsContact O-OG1 3.06Å; T1071-T1074 PolarHBondContact O-OG1 2.83Å; T1071-T1074 VanDerWaalsContact O-OG1 3.14Å; T1071-A1075 VanDerWaalsContact O-CB 3.28Å; T1071-A1075 WeakPolarHBondContact O-CB 3.43Å; T1071-A1075 PolarHBondContact O-N 3.27Å
1072K76.3Confident66.1Low139 Ų139109 Ų10960%0.60454%0.54SS*.Hα-helixtrans-66-42.4172.3-84.4-171.4168.9-1710112.8L1068 L1069 Q1070 A1075 S1076L1068-K1072 PolarHBondContact O-N 2.92Å; L1069-K1072 WeakPolarHBondContact O-CB 3.4Å; L1069-K1072 PolarHBondContact O-N 3.27Å; Q1070-K1072 VanDerWaalsContact C-N 3.32Å; Q1070-K1072 PolarHBondContact O-N 2.85Å; K1072-A1075 PolarHBondContact O-N 3.49Å; K1072-S1076 WeakPolarHBondContact O-CB 3.29Å; K1072-S1076 PolarHBondContact O-N 3.28Å
1073R74.8Confident65.1Low152 Ų152108.9 Ų108.957%0.57454%0.538SS*.Hα-helixtrans-60.1-46.9176.1-71.2-177.3-171172.94.6111.2L1069 Q1070 S1076 F1077L1069-R1073 WeakPolarHBondContact O-CG 3.33Å; L1069-R1073 PolarHBondContact O-N 2.91Å; Q1070-R1073 PolarHBondContact O-N 3.17Å; R1073-S1076 PolarHBondContact O-N 3.43Å; R1073-F1077 PolarHBondContact O-N 3.49Å
1074T61.5Low63.8Low81 Ų81112.7 Ų112.750%0.49756%0.556SS.*Hα-helixtrans-69.9-31.8178.9530000113.2Q1070 T1071 R1078Q1070-T1074 PolarHBondContact O-N 3.34Å; Q1070-T1074 PolarHBondContact O-OG1 3Å; T1071-T1074 PolarHBondContact O-OG1 2.83Å; T1071-T1074 VanDerWaalsContact O-OG1 3.14Å; T1074-R1078 WeakPolarHBondContact O-CG 3.21Å; T1074-R1078 PolarHBondContact O-N 3.1Å
1075A56.3Low62.6Low51 Ų51113.9 Ų113.942%0.42156%0.561SS.*Hα-helixtrans-67.3-39.7169.500000112.5T1071 K1072 R1078 Q1079T1071-A1075 VanDerWaalsContact O-CB 3.28Å; T1071-A1075 WeakPolarHBondContact O-CB 3.43Å; T1071-A1075 PolarHBondContact O-N 3.27Å; K1072-A1075 PolarHBondContact O-N 3.49Å; A1075-R1078 CarbonylContact O-C 3.6Å; A1075-R1078 PolarHBondContact O-N 3.35Å; A1075-Q1079 PolarHBondContact O-N 2.91Å; A1075-Q1079 VanDerWaalsContact O-N 3.11Å
1076S59.4Low60.9Low59 Ų59108.5 Ų108.541%0.41356%0.555SS.*Hα-helixtrans-64.6-41.9176.5-162.10000111.8K1072 R1073 R1078 Q1079 N1080K1072-S1076 WeakPolarHBondContact O-CB 3.29Å; K1072-S1076 PolarHBondContact O-N 3.28Å; R1073-S1076 PolarHBondContact O-N 3.43Å; S1076-R1078 VanDerWaalsContact C-N 3.27Å; S1076-R1078 PolarHBondContact O-N 2.75Å; S1076-Q1079 PolarHBondContact O-N 2.93Å; S1076-N1080 PolarHBondContact O-N 2.82Å; S1076-N1080 PolarHBondContact O-OD1 2.92Å
1077F50.3Low58.9Low164 Ų164109.4 Ų109.472%0.71957%0.569SS**Hα-helixtrans-60.4-37.3175.2-168.9-98.3000112.1R1073 Q1079 S1081R1073-F1077 PolarHBondContact O-N 3.49Å; F1077-Q1079 VanDerWaalsContact C-N 3.3Å; F1077-Q1079 PolarHBondContact O-N 3.02Å; F1077-S1081 PolarHBondContact O-N 3.47Å; F1077-S1081 PolarHBondContact O-OG 3.05Å
1078R52.8Low57.1Low198 Ų198107 Ų10775%0.74758%0.576SS**Hα-helixtrans-72.9-13.5172.5-71.6176.6-180-99.41.7114.4T1074 A1075 S1076 S1081T1074-R1078 WeakPolarHBondContact O-CG 3.21Å; T1074-R1078 PolarHBondContact O-N 3.1Å; A1075-R1078 CarbonylContact O-C 3.6Å; A1075-R1078 PolarHBondContact O-N 3.35Å; S1076-R1078 VanDerWaalsContact C-N 3.27Å; S1076-R1078 PolarHBondContact O-N 2.75Å; R1078-S1081 WeakPolarHBondContact CA-OG 3.28Å
1079Q52.2Low55.3Low141 Ų141108 Ų10866%0.65958%0.581SS**Hα-helixtrans-89.8-40.7171.4-74.1-165.3-41.100112.2A1075 S1076 F1077 A1082 T1083A1075-Q1079 PolarHBondContact O-N 2.91Å; A1075-Q1079 VanDerWaalsContact O-N 3.11Å; S1076-Q1079 PolarHBondContact O-N 2.93Å; F1077-Q1079 VanDerWaalsContact C-N 3.3Å; F1077-Q1079 PolarHBondContact O-N 3.02Å; Q1079-A1082 WeakPolarHBondContact O-CB 3.48Å; Q1079-A1082 PolarHBondContact O-N 2.97Å; Q1079-A1082 VanDerWaalsContact O-N 3.13Å; Q1079-T1083 PolarHBondContact O-N 2.74Å
1080N47.1Very low53.6Low104 Ų104114 Ų11456%0.55661%0.607SS**Hα-helixtrans-64.5-42178.7-71.222.8000112.1S1076 A1082 T1083 E1084S1076-N1080 PolarHBondContact O-N 2.82Å; S1076-N1080 PolarHBondContact O-OD1 2.92Å; N1080-A1082 PolarHBondContact O-N 2.89Å; N1080-T1083 WeakPolarHBondContact CA-OG1 3.3Å; N1080-T1083 PolarHBondContact O-N 2.88Å; N1080-T1083 PolarHBondContact O-OG1 3.15Å; N1080-E1084 PolarHBondContact O-N 2.74Å; N1080-E1084 VanDerWaalsContact O-N 3.1Å
1081S50.9Low52.1Low60 Ų60114.9 Ų114.942%0.4261%0.614SS.*Hα-helixtrans-64.7-22.717444.50000113.7F1077 R1078 S1085F1077-S1081 PolarHBondContact O-N 3.47Å; F1077-S1081 PolarHBondContact O-OG 3.05Å; R1078-S1081 WeakPolarHBondContact CA-OG 3.28Å; S1081-S1085 PolarHBondContact O-OG 3.25Å; S1081-S1085 VanDerWaalsContact O-OG 3.11Å
1082A44.2Very low50.4Low66 Ų66121.1 Ų121.155%0.54563%0.629SS.*Hα-helixtrans-85.7-7.7172.800000113.7Q1079 N1080Q1079-A1082 WeakPolarHBondContact O-CB 3.48Å; Q1079-A1082 PolarHBondContact O-N 2.97Å; Q1079-A1082 VanDerWaalsContact O-N 3.13Å; N1080-A1082 PolarHBondContact O-N 2.89Å
1083T49.5Very low48.6Very low86 Ų86121.1 Ų121.153%0.52863%0.634SS.*Hα-helixtrans-98.2-32.417143.70000112.9Q1079 N1080 S1085 A1086Q1079-T1083 PolarHBondContact O-N 2.74Å; N1080-T1083 WeakPolarHBondContact CA-OG1 3.3Å; N1080-T1083 PolarHBondContact O-N 2.88Å; N1080-T1083 PolarHBondContact O-OG1 3.15Å; T1083-S1085 PolarHBondContact O-N 3.36Å; T1083-A1086 VanDerWaalsContact O-CB 3.31Å; T1083-A1086 WeakPolarHBondContact O-CB 3.25Å; T1083-A1086 PolarHBondContact O-N 3.35Å; T1083-A1086 VanDerWaalsContact O-N 3.12Å
1084E46.8Very low46.9Very low160 Ų160118.8 Ų118.875%0.74864%0.639SS**Hα-helixtrans-64.4-26.6178-168.8174.5175.600113N1080 A1086N1080-E1084 PolarHBondContact O-N 2.74Å; N1080-E1084 VanDerWaalsContact O-N 3.1Å; E1084-A1086 VanDerWaalsContact C-N 3.27Å; E1084-A1086 PolarHBondContact O-N 3.08Å
1085S45.2Very low45.6Very low82 Ų82124.1 Ų124.157%0.57366%0.658SS**THydrogen-bonded Turntrans-78.2-2.9175.833.70000114.4S1081 T1083S1081-S1085 PolarHBondContact O-OG 3.25Å; S1081-S1085 VanDerWaalsContact O-OG 3.11Å; T1083-S1085 PolarHBondContact O-N 3.36Å
1086A42.7Very low44.7Very low66 Ų66125.9 Ų125.955%0.54567%0.673SS.*THydrogen-bonded Turntrans-85.1-24-17800000114.4T1083 E1084 S1088T1083-A1086 VanDerWaalsContact O-CB 3.31Å; T1083-A1086 WeakPolarHBondContact O-CB 3.25Å; T1083-A1086 PolarHBondContact O-N 3.35Å; T1083-A1086 VanDerWaalsContact O-N 3.12Å; E1084-A1086 VanDerWaalsContact C-N 3.27Å; E1084-A1086 PolarHBondContact O-N 3.08Å; A1086-S1088 PolarHBondContact O-N 2.81Å
1087D45.2Very low43.8Very low148 Ų148131.7 Ų131.779%0.79169%0.693SS**  trans-80.15.7-178.2-72.6-30.9000113.9I1089D1087-I1089 VanDerWaalsContact C-N 3.26Å; D1087-I1089 PolarHBondContact O-N 3.47Å
1088S43.6Very low43.3Very low100 Ų100130.4 Ų130.470%0.69970%0.699SS**  trans-83.557.7177.1-61.70000112.5A1086 E1090A1086-S1088 PolarHBondContact O-N 2.81Å; S1088-E1090 PolarHBondContact O-N 3.3Å
1089I43.6Very low42.6Very low135 Ų135131.8 Ų131.869%0.69270%0.704SS**  trans-86.9106.2174.1-59.3179.5000109.6D1087 I1091D1087-I1089 VanDerWaalsContact C-N 3.26Å; D1087-I1089 PolarHBondContact O-N 3.47Å; I1089-I1091 HydrophobicContact CG2-CG1 4.43Å; I1089-I1091 PolarHBondContact O-N 3.31Å
1090E41.7Very low41.7Very low189 Ų189137 Ų13788%0.88374%0.735SS**  trans-70.1106.2171.3-65.4-174.115100110.6S1088 Y1092S1088-E1090 PolarHBondContact O-N 3.3Å; E1090-Y1092 PolarHBondContact O-N 3.17Å
1091I39.6Very low41.4Very low144 Ų144138.6 Ų138.674%0.73874%0.744SS**  trans-83.5104175.3-59178.3000109I1089 I1093I1089-I1091 HydrophobicContact CG2-CG1 4.43Å; I1089-I1091 PolarHBondContact O-N 3.31Å; I1091-I1093 HydrophobicContact CG2-CG1 4.48Å; I1091-I1093 PolarHBondContact O-N 3.45Å
1092Y33.9Very low40.9Very low219 Ų219142.7 Ų142.786%0.85976%0.761SS**  trans-74.7104.4176-158.4-87.9000110.6E1090 P1094E1090-Y1092 PolarHBondContact O-N 3.17Å; Y1092-P1094 WeakPolarHBondContact O-CD 3.21Å
1093I39.7Very low40.7Very low139 Ų139147 Ų14771%0.71377%0.773SS**  trans-83.7117.3175.9-58.1175.1000108.7I1091I1091-I1093 HydrophobicContact CG2-CG1 4.48Å; I1091-I1093 PolarHBondContact O-N 3.45Å
1094P38.1Very low40.2Very low103 Ų103150.6 Ų150.667%0.66979%0.787SS**  trans-73.1129.2174.429.8-33.1000110.6Y1092 A1096Y1092-P1094 WeakPolarHBondContact O-CD 3.21Å; P1094-A1096 PolarHBondContact O-N 3.14Å
1095E35.2Very low39.8Very low192 Ų192150 Ų15090%0.89779%0.79SS**  trans-64.6106.7175.3-69.8-170.4129.800111.3Q1097E1095-Q1097 PolarHBondContact O-N 3.16Å
1096A36.5Very low39.4Very low88 Ų88154.5 Ų154.573%0.72780%0.804SS**  trans-73.1110171.400000110P1094 T1098P1094-A1096 PolarHBondContact O-N 3.14Å; A1096-T1098 PolarHBondContact O-N 3.37Å
1097Q41.1Very low39.2Very low182 Ų182160.9 Ų160.985%0.8582%0.823SS**  trans-68.586.9177.9-68.6-175.4-10.700112.3E1095 R1099E1095-Q1097 PolarHBondContact O-N 3.16Å; Q1097-R1099 PolarHBondContact O-N 2.85Å; Q1097-R1099 VanDerWaalsContact O-N 3.17Å
1098T39.6Very low38.7Very low136 Ų136161.8 Ų161.883%0.83483%0.825SS**  trans-79.692.4166.551.50000110.4A1096A1096-T1098 PolarHBondContact O-N 3.37Å
1099R37.9Very low38.3Very low227 Ų227167 Ų16786%0.85784%0.836SS**  trans-79111.3160-76.5-177.8170.3-163.6-2109.7Q1097Q1097-R1099 PolarHBondContact O-N 2.85Å; Q1097-R1099 VanDerWaalsContact O-N 3.17Å
1100L32.8Very low37.8Very low250 Ų250169.9 Ų169.9100%1.30985%0.849SS**  trans-1780136.2-100.2161.5000110

Retrieved 1,100 of 1,100 residues in 318.3 ms (Link to these results)