A0A023GQ99_DROME Loading...

H/ACA ribonucleoprotein complex non-core subunit NAF1

AlphaFold DB , UniProt , Accession A0A023GQ99, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG10341, Length 563 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.3Very low40.9Very low219 Ų219140.5 Ų140.5100%1.07980%0.799SS**  059.40-53.7177.2-165.800108.1
2E37.9Very low40.6Very low172 Ų172138.8 Ų138.880%0.80480%0.801SS**  85.7136.165.2-7314895.500111.6
3S41Very low40.9Very low85 Ų85134.4 Ų134.459%0.59479%0.792SS**  cis-160.5168.6-16.661.40000111.6
4E47.3Very low41.7Very low176 Ų176133.1 Ų133.182%0.82279%0.79SS**  trans60130.9143.9-74.2160.5118.100123.3
5Q47.3Very low41.3Very low177 Ų177134.3 Ų134.383%0.82779%0.788SS**  trans-79.6175.7147.7-59177.6-10.600109.8
6P60.6Low41.3Very low129 Ų129137.8 Ų137.884%0.83880%0.795SS**  -148.1172101.437.9-22.5000116.1
7A39.3Very low40.8Very low91 Ų91139.5 Ų139.575%0.75279%0.794SS**  trans-88.8-171.4166.900000110.7
8A36.5Very low41.5Very low85 Ų85137.8 Ų137.870%0.70279%0.789SS**  cis-164.2159.512.500000113.2
9V37.5Very low41.1Very low128 Ų128139.7 Ų139.778%0.77679%0.79SS**  trans55.2125.3136.6171.40000121.3
10K34.5Very low40.6Very low193 Ų193138.9 Ų138.984%0.83979%0.794SS**  177.9134.4104.5-134.6154.7-172.7171.80116.9
11A34.4Very low40.7Very low91 Ų91138.4 Ų138.475%0.75279%0.794SS**  trans47.4148.9148.800000121.3
12S36.8Very low40.6Very low119 Ų119137.6 Ų137.683%0.83279%0.787SS**  cis-154.917031.6-660000113.9
13A45Very low40.4Very low82 Ų82135.9 Ų135.968%0.67879%0.789SS**  trans-91.1176.9171.600000113.1
14P51.6Low40Very low117 Ų117136.6 Ų136.676%0.7680%0.799SS**  -120.7161.976.64.419.3000113.4
15I36.4Very low39.2Very low150 Ų150134.3 Ų134.377%0.76980%0.798SS**  68.5124.456.5-51.9164.9000109.8
16E40.1Very low38.4Very low190 Ų190133.5 Ų133.589%0.88879%0.794SS**  -149.6-173.854.1-153.8156.3-14900115.2
17E33.3Very low37.1Very low168 Ų168134 Ų13479%0.78579%0.789SS**  trans-122.5-164.4-161.7-124.3-174.8-171.400111.2
18P53.2Low36.5Very low109 Ų109132.7 Ų132.771%0.70878%0.784SS**  cis-135.8-167.8-14.932.9-9.1000116.1
19Q33.7Very low36.5Very low174 Ų174137.1 Ų137.181%0.81379%0.787SS**  trans-57166.2175-47.8165.45.900117.3
20S30.6Very low36.4Very low122 Ų122139.6 Ų139.685%0.85379%0.79SS**  trans-160.4129134.362.80000113.1
21T42.7Very low36.2Very low130 Ų130135 Ų13580%0.79878%0.782SS**  trans-104.2140.6167510000110.4
22E32.8Very low36.2Very low202 Ų202135.5 Ų135.594%0.94478%0.776SS**  trans-158.6162163.7-130.2167.2-142.400114.8
23T34Very low36.2Very low136 Ų136137.1 Ų137.183%0.83477%0.774SS**  trans-130.4128.2-171.650.10000113
24A32.1Very low35.9Very low99 Ų99141.1 Ų141.182%0.81878%0.777SS**  trans-159.3140.3163.500000108.3
25V31.3Very low35.2Very low129 Ų129139.6 Ų139.678%0.78277%0.774SS**  cis113.5119.823.7163.20000111.6
26E31Very low35.2Very low159 Ų159137.9 Ų137.974%0.74377%0.766SS**  trans75.1151.1157.8-97.2-168.8103.700124.5
27L31.7Very low35.2Very low140 Ų140135.3 Ų135.373%0.73376%0.758SS**  trans55.3117.7155.7-60.2159.9000118.3
28G27.7Very low35.4Very low63 Ų63132 Ų13265%0.64975%0.753SS**  cis92.9116.210.700000113.6
29K35.5Very low34.6Very low178 Ų178133.2 Ų133.277%0.77475%0.753SS**  trans-177.3112.2164.4-104.1149.8-176.7172.70114.8
30H35.4Very low34.4Very low180 Ų180130.7 Ų130.783%0.83374%0.744SS**  trans55.4155.7147.7-45.8-49.6000120.8
31S31.8Very low34.5Very low97 Ų97132.3 Ų132.368%0.67874%0.736SS**  cis-149.5148.25.5105.90000113.6
32T33.2Very low34.1Very low102 Ų102133.5 Ų133.563%0.62674%0.737SS**  trans11147.9140.237.20000121.2
33L36.8Very low34Very low152 Ų152131.9 Ų131.980%0.79673%0.729SS**  cis-134.1146.840.6-66.9159.7000111.3
34K38.3Very low33.7Very low167 Ų167131.8 Ų131.873%0.72673%0.729SS**  60.8135.564.3-69.5-160.2171-1570113.3
35A38.8Very low33.5Very low85 Ų85131.8 Ų131.870%0.70273%0.729SS**  cis-160.5170.727.700000110.5
36D35.1Very low33.5Very low113 Ų113132.3 Ų132.360%0.60473%0.732SS**  cis-168.3145.9-13.3-99.2-12.2000111.7
37L40.2Very low33.3Very low136 Ų136131.5 Ų131.571%0.71274%0.739SS**  trans57157.2135.8-50.4171.5000121.1I39L37-I39 HydrophobicContact CD2-CD1 3.89Å
38S37.1Very low33.3Very low99 Ų99128.6 Ų128.669%0.69273%0.734SS**  cis-144.314417.4-77.10000110.5
39I36.5Very low33.4Very low135 Ų135131.5 Ų131.569%0.69274%0.74SS**  64.7133.671.1-53.4160.6000111.6L37L37-I39 HydrophobicContact CD2-CD1 3.89Å
40D30Very low33.2Very low120 Ų120129.8 Ų129.864%0.64274%0.739SS**  cis-135.8-175.128.8-142.3-15.1000109.1
41K33.1Very low33.2Very low156 Ų156125.1 Ų125.168%0.67873%0.732SS**  cis-152.6-158.54.8-159.4146.8-153.368.50112
42L34.9Very low33Very low155 Ų155126.6 Ų126.681%0.81274%0.736SS**  trans-148.1-174.9-174-84.6169.2000111.5
43E28.9Very low32.9Very low169 Ų169128.2 Ų128.279%0.7975%0.746SS**  trans94.5121.3168.8-54.8-178.9141.300115.4
44T28.7Very low32.7Very low133 Ų133129.5 Ų129.582%0.81675%0.748SS**  cis74.596.13176.70000117.1
45A27Very low33.3Very low100 Ų100126.2 Ų126.283%0.82674%0.744SS**  trans-176.9145133.200000112
46T32.2Very low32.8Very low139 Ų139127.8 Ų127.885%0.85374%0.744SS**  trans-118.6156.8163.446.40000109.9
47T26.3Very low32.6Very low143 Ų143131.3 Ų131.388%0.87776%0.757SS**  trans-152.8148.5173.5-69.30000110
48A32Very low32.2Very low78 Ų78133.1 Ų133.165%0.64576%0.764SS**  trans-70.6176.3-172.600000113.3
49T29.9Very low31.9Very low125 Ų125137.5 Ų137.577%0.76777%0.774SS**  cis-160162.438530000110.5
50N32Very low31.8Very low142 Ų142140 Ų14076%0.75978%0.782SS**  cis-169.9164.7-4.6-106.414.9000107.7
51A34.3Very low31.6Very low81 Ų81143.6 Ų143.667%0.66980%0.795SS**  cis-135-118.6-10.700000109.2
52V27.3Very low31.5Very low128 Ų128142 Ų14278%0.77680%0.799SS**  cis-141.5129.68.9172.50000109.7
53V31.8Very low31.2Very low137 Ų137143.5 Ų143.583%0.8380%0.801SS**  trans27.1114162.4-171.30000119.8
54E31.9Very low31.3Very low178 Ų178142.5 Ų142.583%0.83280%0.801SS**  trans-123.3-175.9151.6-119.5-160.5-148.300107.1
55P50.6Low31.3Very low99 Ų99144.7 Ų144.764%0.64380%0.802SS**  cis-128.4-166.8-2.542-25.4000112.9
56V29.1Very low31.6Very low117 Ų117147 Ų14771%0.70980%0.8SS**  -179.9132.7121148.10000110.1M58V56-M58 HydrophobicContact CG1-CE 3.73Å
57E31.7Very low31.6Very low187 Ų187146.7 Ų146.787%0.87480%0.797SS**  trans-79.8154.1170.4-58.2170124.100111.2
58M31Very low31.8Very low174 Ų174146.2 Ų146.286%0.85779%0.79SS**  trans-157.1141.8150.7-125.9162.6-70.900113V56V56-M58 HydrophobicContact CG1-CE 3.73Å
59E31.6Very low31.8Very low192 Ų192150.6 Ų150.690%0.89780%0.797SS**  trans-78.7170.4176.7-69.8-174.7112.900113
60Q32.6Very low31.9Very low188 Ų188149.5 Ų149.588%0.87979%0.794SS**  trans-76.9123.5-177.5-174.9176.237.100112.4
61Q27Very low32Very low194 Ų194147.5 Ų147.591%0.90779%0.787SS**  trans-150.8160.8159.6-132.9152.910900113.5
62V31.2Very low32Very low124 Ų124152.1 Ų152.175%0.75280%0.795SS**  trans-93.3135.3-168.5174.20000111
63E28.2Very low32.1Very low185 Ų185150 Ų15086%0.86479%0.791SS**  trans-150.7140.9150.5-128.3162.6-148.400112
64N30.2Very low32Very low148 Ų148151.8 Ų151.879%0.79179%0.792SS**  trans-108.1143.7167.8-62.5-70.1000107.4
65E30.1Very low31.9Very low180 Ų180149.7 Ų149.784%0.84179%0.792SS**  trans-143.3154.5163.7-103.2-89.579.800110.4
66L33.6Very low31.1Very low147 Ų147149.3 Ų149.377%0.7779%0.792SS**  trans-111.7165.3-169.1-70138.9000111.4
67V30.3Very low31.1Very low133 Ų133149.9 Ų149.981%0.80680%0.796SS**  trans-135.692.1155.4-175.20000111
68N32.2Very low30.9Very low134 Ų134147 Ų14772%0.71779%0.791SS**  trans60.9160.3141.4-61.9-5.1000119.7
69E32.3Very low30.8Very low169 Ų169143.9 Ų143.979%0.7978%0.782SS**  cis-150.417117.4-155.2161.9-118.900114
70S31.6Very low30.8Very low102 Ų102143.4 Ų143.471%0.71378%0.78SS**  trans80.5144.3168.7-77.40000119.5
71T32.5Very low30.7Very low101 Ų101143.5 Ų143.562%0.6278%0.78SS**  cis-167.9146.9-13.1-100.60000110.5
72Q35Very low30.9Very low178 Ų178142.7 Ų142.783%0.83277%0.773SS**  trans66.1134.9173.6-72.4157.25100116.2
73A29.9Very low30.8Very low83 Ų83143.3 Ų143.369%0.68678%0.777SS**  cis76.212735.600000113
74M29.6Very low30.9Very low175 Ų175140.7 Ų140.786%0.86277%0.773SS**  cis-140.4-172.18.1-59.3-176.6-166.600109
75T30.3Very low30.8Very low134 Ų134136.5 Ų136.582%0.82277%0.766SS**  cis-151.1-133.219.1-31.10000112.6
76S32.3Very low30.8Very low91 Ų91133.3 Ų133.364%0.63676%0.763SS**  trans-140163.2-160.460.50000116.6
77T29.3Very low30.8Very low129 Ų129131.9 Ų131.979%0.79176%0.76SS**  trans79121.7144.441.30000124.6
78T27.7Very low30.9Very low126 Ų126132 Ų13277%0.77376%0.756SS**  trans-42.9149.3152.1-24.60000113.1
79T29.7Very low30.7Very low109 Ų109132.3 Ų132.367%0.66976%0.758SS**  -176.9155.751.6-32.40000112
80Q31.7Very low30.7Very low182 Ų182131.4 Ų131.485%0.8576%0.758SS**  trans67.9148.1168.8-47.1-168.321.500114.6
81E29.6Very low30.7Very low190 Ų190131.2 Ų131.289%0.88875%0.752SS**  cis-139.1-152.239.2-148-172.5137.500114.1
82K32.2Very low30.6Very low176 Ų176134.1 Ų134.177%0.76576%0.758SS**  trans-139139-162157.5-166173.6-172.30110.3
83V29.5Very low30.4Very low137 Ų137132.8 Ų132.883%0.8375%0.752SS**  trans-169.4139.1141.8135.10000114.6
84V29.8Very low30.6Very low130 Ų130136 Ų13679%0.78875%0.753SS**  trans-28.8145.6167-173.20000119.7
85G27.9Very low30.6Very low61 Ų61135.5 Ų135.563%0.62975%0.749SS**  trans133.1109.5147.200000114.4
86S30.5Very low30.3Very low112 Ų112134.5 Ų134.578%0.78375%0.746SS**  73.3126.678.5-68.40000113.6
87V32.8Very low30.2Very low117 Ų117135.8 Ų135.871%0.70975%0.75SS**  cis-156.2158.1-0.5-100.50000110.6
88N31.8Very low30.1Very low136 Ų136137.6 Ų137.673%0.72775%0.749SS**  trans23.4136.4139.8-43.1-0.9000118.5
89N29.3Very low30.2Very low141 Ų141138.4 Ų138.475%0.75475%0.746SS**  -174147.865-121.32.4000107.3
90L30.8Very low30.2Very low149 Ų149141.4 Ų141.478%0.7875%0.752SS**  cis56.6130.440.9-99.776000113.1
91V31.7Very low30Very low98 Ų98140.3 Ų140.359%0.59475%0.745SS**  cis-166.2167.916.769.80000110
92E31.8Very low29.9Very low162 Ų162138 Ų13876%0.75773%0.734SS**  trans63.2166.9161.6-78137.2-148.500117.9
93E31.3Very low29.6Very low150 Ų150134.4 Ų134.470%0.70173%0.727SS**  cis-147.6-177.77.1-142.2172173.200113.9
94Q32.9Very low29.7Very low150 Ų150133.6 Ų133.670%0.70173%0.727SS**  trans-31.9169.3166.3-69.9149.253.200117.9
95Q29.9Very low29.7Very low165 Ų165133.1 Ų133.177%0.77173%0.73SS**  cis156.3130-19.9171.5174.3-9.600107.2
96C23.7Very low29.8Very low113 Ų113136.8 Ų136.876%0.76474%0.735SS**  trans61.6164177.2-60.30000114.8
97V30.3Very low29.8Very low118 Ų118139.3 Ų139.372%0.71574%0.739SS**  cis-139.9126.517.5171.10000106.8
98E26.9Very low29.6Very low167 Ų167139.1 Ų139.178%0.7874%0.738SS**  67.314891.7-142.4177.8-133.400117.5
99M30.6Very low29.6Very low143 Ų143138.1 Ų138.170%0.70474%0.737SS**  trans74.392.6171.4-78.7171.3-82.100121.6
100E29.7Very low29.6Very low173 Ų173140.6 Ų140.681%0.80874%0.743SS**  56.3140.6115.2-65.8-174.5-166.700125.5
101F26.3Very low29.4Very low158 Ų158136.5 Ų136.569%0.69374%0.738SS**  trans112.2110.9130.8-132.3-107.9000120.1
102E28.9Very low29.2Very low141 Ų141137.6 Ų137.666%0.65975%0.75SS**  trans47.8163144.2-67.4-156.5176.900122.6
103T25.1Very low29.7Very low102 Ų102135.6 Ų135.663%0.62675%0.751SS**  cis-159.6176.7-22.630.80000107.9
104S31Very low29.6Very low119 Ų119133 Ų13383%0.83275%0.749SS**  trans77.7156.5168.6-46.60000115.6
105S31.3Very low29.6Very low120 Ų120133.8 Ų133.884%0.83975%0.753SS**  cis-146.7158.316.254.70000114.4
106D29Very low29.5Very low138 Ų138131.8 Ų131.874%0.73874%0.743SS**  trans-92156.8175.6178.129.8000112.7
107L31.3Very low29.9Very low165 Ų165130.1 Ų130.186%0.86473%0.733SS**  trans177.5167.2145.4-100.1168.2000114.3
108V28.4Very low30Very low113 Ų113132.1 Ų132.169%0.68573%0.732SS**  trans-133.7159-156.5-1750000112.8
109V30.8Very low30.2Very low116 Ų116133.2 Ų133.270%0.70373%0.734SS**  trans145.1123.8137.9168.50000115.9
110Q29.6Very low30.2Very low192 Ų192132.7 Ų132.790%0.89774%0.739SS**  trans20149.4146-52.7169.4-7.100122.5
111G26.2Very low30.2Very low64 Ų64128.5 Ų128.566%0.6673%0.734SS**  cis148.3152.4-10.200000117
112S27.9Very low30.4Very low121 Ų121127 Ų12785%0.84674%0.743SS**  trans66.3169.4158.579.10000120.3
113P42.8Very low30.4Very low120 Ų120127.8 Ų127.878%0.77975%0.751SS**  cis-116.6-154-10.246.1-33.5000110.4
114S29.6Very low30.7Very low94 Ų94126.4 Ų126.466%0.65775%0.751SS**  cis-146.9-163.3-7.457.10000107.2
115E32.4Very low30.7Very low168 Ų168126.7 Ų126.779%0.78575%0.753SS**  cis-167.4179-2.3-131.2157124.800106.4
116E28.4Very low30.5Very low123 Ų123125.4 Ų125.458%0.57575%0.749SS**  cis-152.8137.4-1.6-161.2-111.6155.400109.1K118E116-K118 IonicContact OE1-NZ 2.94Å; E116-K118 PolarHBondContact OE1-NZ 3.4Å; E116-K118 IonicContact OE2-NZ 2.64Å; E116-K118 PolarHBondContact OE2-NZ 3.26Å
117S31.4Very low30.4Very low78 Ų78125 Ų12555%0.54575%0.752SS.*  trans65.2160.5152.7-84.30000123
118K31.8Very low30.3Very low160 Ų160123.4 Ų123.470%0.69675%0.749SS**  cis-159.4157.70.8-108.6138.5-153.1129.20107E116E116-K118 IonicContact OE1-NZ 2.94Å; E116-K118 PolarHBondContact OE1-NZ 3.4Å; E116-K118 IonicContact OE2-NZ 2.64Å; E116-K118 PolarHBondContact OE2-NZ 3.26Å
119K32.4Very low30.2Very low189 Ų189124.5 Ų124.582%0.82276%0.756SS**  cis-174.2173.2-29.8-163.1174.9179.9-179.20107.6
120V30.7Very low30.1Very low132 Ų132123.1 Ų123.180%0.876%0.756SS**  trans82.1137.6171.1-179.60000114.7
121A29.4Very low30.6Very low85 Ų85119.3 Ų119.370%0.70275%0.749SS**  cis111.6145.13.600000115.3
122S30.8Very low30.7Very low128 Ų128124.9 Ų124.990%0.89576%0.757SS**  cis-166.5-164.7-11.548.20000111.2
123D27.3Very low30.8Very low156 Ų156125 Ų12583%0.83475%0.753SS**  trans-126.4169.5-151.8-175.934.5000117.3
124A31.9Very low30.4Very low74 Ų74127.7 Ų127.761%0.61276%0.755SS**  trans73.3111.5151.700000125.6
125S30.7Very low30.9Very low125 Ų125128.8 Ų128.887%0.87476%0.76SS**  59128.5123.7-159.70000125.1
126A28Very low30.8Very low93 Ų93124.9 Ų124.977%0.76976%0.757SS**  trans-162111.7153.800000116.5
127T26.9Very low31.8Very low129 Ų129123.8 Ų123.879%0.79176%0.76SS**  trans43.9109.9132.3-43.20000124.4
128V28.6Very low31.7Very low131 Ų131128.4 Ų128.479%0.79477%0.772SS**  trans56.7125.9138.8-1800000122.5
129T26.7Very low32.1Very low137 Ų137127.1 Ų127.184%0.8478%0.778SS**  -170.8150.4129-75.80000111.3
130A28.2Very low32Very low86 Ų86125.5 Ų125.571%0.71178%0.778SS**  trans-141.2160.4169.400000108.3
131P40.8Very low32.2Very low113 Ų113124.3 Ų124.373%0.73478%0.776SS**  -159.7-176.366.545.6-24.8000118.4
132Q27.7Very low32.5Very low180 Ų180125.5 Ų125.584%0.84178%0.779SS**  trans69.5150.7157.1-64.3-149.2-11.100118.8
133V29.5Very low33.1Very low125 Ų125125.3 Ų125.376%0.75877%0.774SS**  cis-149.11672.51010000113
134Q35.6Very low34Very low175 Ų175127.2 Ų127.282%0.81878%0.778SS**  trans-92.4-176.6179.6-90-174.510.300112.1
135P40.5Very low34.7Very low118 Ų118128.3 Ų128.377%0.76679%0.788SS**  cis-147.3-173.72245.2-23.7000118.6
136A29.7Very low35.7Very low86 Ų86126.9 Ų126.971%0.71178%0.778SS**  trans-88.3-166.6158.200000109.7
137P49.8Very low36.6Very low99 Ų99126 Ų12664%0.64378%0.777SS**  cis-134.5-167.22.343.7-25.3000114.1
138H29.3Very low38Very low175 Ų175126.8 Ų126.881%0.8178%0.776SS**  179.2166.5117.4-98.6-73.3000112.3
139V40.2Very low39.3Very low133 Ų133125.1 Ų125.181%0.80677%0.77SS**  trans-139.9130.2-175.8-1790000109.2
140D30.2Very low40.6Very low156 Ų156124.8 Ų124.883%0.83476%0.763SS**  trans-176.2158.7169.4-96.1-38.1000107.6
141S33.9Very low41.8Very low107 Ų107127.4 Ų127.475%0.74876%0.764SS**  cis-160.4170.3-2949.30000107.8
142S35.9Very low42.3Very low109 Ų109126.3 Ų126.376%0.76276%0.764SS**  trans-88.8155.6-168.758.50000115.3
143P44.7Very low43.4Very low124 Ų124121.4 Ų121.481%0.80575%0.754SS**  trans-115.5146.2142.135.4-28.6000111.3
144Q45Very low44.5Very low197 Ų197125 Ų12592%0.92176%0.755SS**  trans-84.5140.1175.6-68.1-172.4-20.100111.6
145A46.8Very low45.5Very low97 Ų97122 Ų12280%0.80275%0.754SS**  trans-110.6138.1167.600000109.9
146S51.8Low45.7Very low95 Ų95121.2 Ų121.266%0.66475%0.751SS**  trans-84.6147.9-176.950.20000112.4L148 S149S146-L148 PolarHBondContact O-N 3.11Å; S146-S149 PolarHBondContact O-N 3.22Å
147G47.3Very low46Very low74 Ų74124.3 Ų124.376%0.76376%0.756SS**THydrogen-bonded Turntrans-68.324.2-171.100000117.4
148L55.1Low45.4Very low145 Ų145127.2 Ų127.276%0.75977%0.766SS**THydrogen-bonded Turntrans-105.2-14.5174.7-66.7174000113S146 L150S146-L148 PolarHBondContact O-N 3.11Å; L148-L150 VanDerWaalsContact C-N 3.26Å; L148-L150 PolarHBondContact O-N 3.5Å
149S57.4Low46.2Very low96 Ų96124.3 Ų124.367%0.67177%0.766SS**THydrogen-bonded Turntrans-73.7-10.7-175.5-163.60000115.1S146S146-S149 PolarHBondContact O-N 3.22Å
150L53.3Low46.1Very low131 Ų131126 Ų12669%0.68677%0.77SS**THydrogen-bonded Turntrans-87.6-26.5-176.8-86.2161.1000114.1L148 A152L148-L150 VanDerWaalsContact C-N 3.26Å; L148-L150 PolarHBondContact O-N 3.5Å; L150-A152 VanDerWaalsContact C-N 3.31Å; L150-A152 PolarHBondContact O-N 3.45Å
151L53.7Low46.7Very low141 Ų141126.5 Ų126.574%0.73877%0.773SS**G310 helixtrans-73.3-23179.4-94.568.7000113A153L151-A153 PolarHBondContact O-N 2.96Å
152A51.9Low46.8Very low89 Ų89130.1 Ų130.174%0.73678%0.778SS**G310 helixtrans-75.3-7.9-177.300000114.3L150L150-A152 VanDerWaalsContact C-N 3.31Å; L150-A152 PolarHBondContact O-N 3.45Å
153A50.6Low46.7Very low77 Ų77133 Ų13364%0.63678%0.776SS**G310 helixtrans-95.9-2-176.500000114.6L151L151-A153 PolarHBondContact O-N 2.96Å
154Y52.9Low46.2Very low200 Ų200133.8 Ų133.878%0.78478%0.779SS**SBendtrans-122.235-173.1-71-83.8000112.7
155S55.3Low45.5Very low112 Ų112129.9 Ų129.978%0.78377%0.769SS**SBendtrans-153.655.6177.8-68.70000113.2
156S44.5Very low45.1Very low102 Ų102131.1 Ų131.171%0.71377%0.768SS**SBendtrans-152.5153.6155.5-158.10000109
157D36.6Very low44.2Very low151 Ų151132.4 Ų132.481%0.80777%0.772SS**  trans57.990.1168.6-66.541.4000116.2
158D36.9Very low43.5Very low160 Ų160137.6 Ų137.686%0.85678%0.776SS**  trans-132.8103.3145.2-176.757.6000106.9
159S45.6Very low42.6Very low115 Ų115138.4 Ų138.480%0.80478%0.782SS**  trans-170.574.3-175.4-74.80000111.3
160D38.7Very low41.4Very low167 Ų167137.3 Ų137.389%0.89379%0.785SS**  trans-130.4128.2168-92.7-54.4000110.9E162D160-E162 PolarHBondContact O-N 3.33Å
161D42.4Very low41Very low168 Ų168138.1 Ų138.190%0.89879%0.79SS**  trans-78.9100177.9-76.8-81.6000111
162E37.2Very low40.5Very low183 Ų183139 Ų13986%0.85580%0.796SS**  trans-79.2139.7168.8-104.3-57.4157.900112.7D160D160-E162 PolarHBondContact O-N 3.33Å
163K33.4Very low40.1Very low168 Ų168143 Ų14373%0.7381%0.805SS**  trans-121.5103.3-158.8180-172.4170.7-1710110.9T165K163-T165 PolarHBondContact O-N 2.88Å
164V33.4Very low39.7Very low141 Ų141145.3 Ų145.386%0.85581%0.811SS**  trans-43.8120.5179.6-174.90000112.4
165T30.8Very low39.1Very low115 Ų115142 Ų14271%0.70681%0.805SS**  trans-120.7130.6165.853.40000109.2K163K163-T165 PolarHBondContact O-N 2.88Å
166P39.3Very low38.5Very low123 Ų123145.5 Ų145.580%0.79981%0.809SS**  trans-97116.7-176.433.7-30.4000111.9
167V31.9Very low38.2Very low123 Ų123145.9 Ų145.975%0.74581%0.807SS**  trans-136.5105.9169.4-176.10000110.8
168Q33.4Very low38.7Very low182 Ų182144.3 Ų144.385%0.8581%0.805SS**  trans34.4135.9139.3-61.6176-18.900121.3
169N35.5Very low38.9Very low163 Ų163143 Ų14387%0.87280%0.802SS**  trans-46.1149.2176.9-48.110.3000115.2
170G31.8Very low38.5Very low72 Ų72143.6 Ų143.674%0.74280%0.802SS**  trans-168.595.8161.900000110.3N172G170-N172 PolarHBondContact O-N 3.29Å
171D44.7Very low38.3Very low148 Ų148143 Ų14379%0.79180%0.798SS**  trans-65.3126.7176-47.5-88.1000110
172N43.8Very low38.5Very low161 Ų161141 Ų14186%0.86180%0.795SS**  trans174.486163.1-101.4-75.1000108.5G170G170-N172 PolarHBondContact O-N 3.29Å
173D44.2Very low38.8Very low171 Ų171136.6 Ų136.691%0.91479%0.789SS**  trans-103.3144.9171.1-110.6-38.1000111.3
174V40.5Very low39.2Very low127 Ų127134.5 Ų134.577%0.7780%0.796SS**  trans-97.9138-157.8175.90000113.1E176V174-E176 PolarHBondContact O-N 3.24Å
175I40.3Very low39.5Very low130 Ų130133.5 Ų133.567%0.66780%0.795SS**  trans-73.7104.6174.1-54.8172.7000110V177I175-V177 HydrophobicContact CG2-CG2 4.09Å
176E43.1Very low40.1Very low185 Ų185135 Ų13586%0.86480%0.804SS**  trans-83.8116.4167-70.1-159148.900111.3V174V174-E176 PolarHBondContact O-N 3.24Å
177V39Very low40Very low111 Ų111135.3 Ų135.367%0.67380%0.804SS**  trans-98.9115.8173.1-179.60000109.5I175 V179I175-V177 HydrophobicContact CG2-CG2 4.09Å; V177-V179 PolarHBondContact O-N 3.26Å
178P47.9Very low40.7Very low118 Ų118134 Ų13477%0.76681%0.806SS**  trans-76.893-179.530.2-34.2000111.4T180P178-T180 PolarHBondContact O-N 2.9Å
179V39.1Very low41.1Very low131 Ų131136.2 Ų136.279%0.79481%0.808SS**  trans-71.1123165.4178.80000108.9V177V177-V179 PolarHBondContact O-N 3.26Å
180T37.2Very low41.4Very low128 Ų128139.7 Ų139.779%0.78581%0.809SS**  trans-83.8123.1-175.955.20000112.5P178P178-T180 PolarHBondContact O-N 2.9Å
181D35.5Very low41.8Very low154 Ų154142.4 Ų142.482%0.82481%0.814SS**  trans-122.4120164.4-115.1-33.8000110.3A183D181-A183 PolarHBondContact O-N 3.07Å; D181-A183 VanDerWaalsContact O-N 3.08Å
182P46.9Very low41.6Very low128 Ų128142 Ų14283%0.83182%0.817SS**  trans-91.664.5-158.836.2-38.6000114.4
183A43Very low41.4Very low89 Ų89141 Ų14174%0.73682%0.816SS**  trans-151.753.1-17500000118.6D181D181-A183 PolarHBondContact O-N 3.07Å; D181-A183 VanDerWaalsContact O-N 3.08Å
184S41Very low40.8Very low125 Ų125137.2 Ų137.287%0.87481%0.808SS**  trans158.1112.9139.4-76.40000114.5
185S39.7Very low40.6Very low120 Ų120137.5 Ų137.584%0.83981%0.81SS**  trans-170.163.6158.456.70000113.5T187S185-T187 PolarHBondContact O-N 3.08Å
186T44Very low40.3Very low146 Ų146136.5 Ų136.590%0.89682%0.815SS**  trans-76.799.9171.345.70000111.8
187T37.8Very low39.7Very low129 Ų129133.5 Ų133.579%0.79181%0.814SS**  trans-138.5144.4161-73.50000109.7S185S185-T187 PolarHBondContact O-N 3.08Å
188A46.1Very low39.7Very low96 Ų96135.9 Ų135.979%0.79382%0.823SS**  trans-71.1133.4-15900000115.7
189Y42.5Very low39.5Very low228 Ų228137.5 Ų137.589%0.89483%0.825SS**  trans-114.9152.3158-78.9-88000110.3
190R42.3Very low39.6Very low236 Ų236139.5 Ų139.589%0.89183%0.826SS**PPolyproline II helixtrans-72.9145.7175.9-74.9-179.4171.8-178-1.7110.7V192R190-V192 PolarHBondContact O-N 3.29Å
191P39.7Very low39.8Very low129 Ų129137.7 Ų137.784%0.83882%0.819SS**PPolyproline II helixtrans-71.5125.1174.129.6-33.5000111
192V40.3Very low39.9Very low140 Ų140134 Ų13485%0.84881%0.805SS**PPolyproline II helixtrans-90.3145.2158.4-70.80000109R190R190-V192 PolarHBondContact O-N 3.29Å
193V38.8Very low39.3Very low139 Ų139136.2 Ų136.284%0.84280%0.802SS**PPolyproline II helixtrans-82.3126.3-179.3-72.40000110.7
194A32.5Very low39.3Very low92 Ų92137.6 Ų137.676%0.7681%0.806SS**PPolyproline II helixtrans-78.2126.1173.400000110.2
195V36.7Very low39.1Very low134 Ų134137.8 Ų137.881%0.81281%0.807SS**  trans-10389.3167.7-76.90000108.8
196S32.3Very low39.4Very low108 Ų108137.9 Ų137.976%0.75581%0.808SS**  trans-71.2125.9172.1-60.80000110.2
197S32.1Very low39.1Very low122 Ų122137 Ų13785%0.85381%0.808SS**  trans-106.7105.9166.3-65.20000108.6
198D37.6Very low39.4Very low162 Ų162135.7 Ų135.787%0.86680%0.803SS**  trans-108.1125169.9-114-94.5000107.4
199D43.8Very low39.1Very low151 Ų151137 Ų13781%0.80781%0.807SS**  trans-111.7116.8178.3-169.8-73.8000109.2
200E41Very low39.3Very low173 Ų173132.5 Ų132.581%0.80880%0.798SS**  trans-149.1150161.4-103.3-55.8172.700111.2
201S42.8Very low39.1Very low90 Ų90126.9 Ų126.963%0.62980%0.796SS**  trans-99.8151.1-157.372.10000115.1
202S36.5Very low39.5Very low77 Ų77127.6 Ų127.654%0.53879%0.792SS.*  158.5155.5106.854.60000116.4
203K35.8Very low39.7Very low175 Ų175126.1 Ų126.176%0.76179%0.788SS**  trans57.980.7147.571.7-147.1168.3-132.70121.6
204S41.3Very low40.5Very low118 Ų118127 Ų12783%0.82579%0.788SS**  44.7119.5118.465.10000121.4
205S37.8Very low41.7Very low129 Ų129127.2 Ų127.290%0.90278%0.784SS**  trans-149.8156.113567.80000110.8
206S44.9Very low42.4Very low121 Ų121126.2 Ų126.285%0.84677%0.77SS**  trans-98140.9-165.755.10000114.6
207S37.7Very low43.4Very low128 Ų128123 Ų12390%0.89576%0.755SS**  trans-144.6134.9146.249.80000110.4
208S45.1Very low44.6Very low101 Ų101125 Ų12571%0.70675%0.751SS**  trans-103.6139.8-175.450.60000111.4
209S38.7Very low45.5Very low125 Ų125123.4 Ų123.487%0.87473%0.733SS**  trans-146.1104.1163.1-77.90000109.1
210D47.5Very low46.7Very low132 Ų132121 Ų12171%0.70672%0.72SS**  trans-79.5146.6178.1-44.2-84.3000110.9
211S37.3Very low48Very low119 Ų119116.3 Ų116.383%0.83270%0.704SS**  trans-163.690.4169.7-77.40000109.4
212D48.6Very low49.4Very low143 Ų143116.3 Ų116.377%0.76570%0.699SS**  trans-73.3143.8-174.6-46.5-78.5000112.6
213S45.5Very low51Low109 Ų109116.9 Ų116.976%0.76270%0.696SS**  trans-146.564.9172.9-176.90000110S215S213-S215 PolarHBondContact O-N 3.19Å; S213-S215 VanDerWaalsContact O-N 3.08Å
214D55.3Low53.1Low157 Ų157117.3 Ų117.384%0.8469%0.693SS**  trans-65.7101.5-179.7-84.2-49.8000113.1
215S56.5Low54.7Low97 Ų97118.9 Ų118.968%0.67869%0.685SS**SBendtrans-151.7-5.8153.8-165.70000114.5S213S213-S215 PolarHBondContact O-N 3.19Å; S213-S215 VanDerWaalsContact O-N 3.08Å
216E52.1Low56.4Low113 Ų113119 Ų11953%0.52867%0.669SS.*SBendtrans-106.2-21.3-169.5-44.5-52.7134.100114.4Y219E216-Y219 HydrophobicContact CB-CE1 4.18Å; E216-Y219 WeakPolarHBondContact O-CD1 3.11Å; E216-Y219 WeakPolarHBondContact O-CE1 3.23Å
217G53.5Low57.8Low42 Ų42117 Ų11743%0.43365%0.648SS.*Hα-helixtrans-73.6-33.2-167.400000115.2T221G217-T221 WeakPolarHBondContact O-CG2 3.08Å; G217-T221 PolarHBondContact O-N 3.4Å; G217-T221 VanDerWaalsContact O-N 3.14Å; G217-T221 PolarHBondContact O-OG1 2.83Å
218E56.8Low59.5Low164 Ų164114.8 Ų114.877%0.76663%0.626SS**Hα-helixtrans-72.4-42.6-174-63.8-158.4142.300112.6L220 T221 V222E218-L220 PolarHBondContact O-N 2.79Å; E218-T221 PolarHBondContact O-N 2.95Å; E218-T221 PolarHBondContact O-OG1 2.88Å; E218-V222 VanDerWaalsContact O-CB 3.3Å; E218-V222 WeakPolarHBondContact O-CB 3.26Å; E218-V222 VanDerWaalsContact O-CG2 3.25Å; E218-V222 WeakPolarHBondContact O-CG2 3.33Å; E218-V222 PolarHBondContact O-N 3.08Å
219Y57.7Low60.6Low127 Ų127117.3 Ų117.350%0.49863%0.625SS.*Hα-helixtrans-65.3-40.7-178.885.5-97.3000111.5E216 L223E216-Y219 HydrophobicContact CB-CE1 4.18Å; E216-Y219 WeakPolarHBondContact O-CD1 3.11Å; E216-Y219 WeakPolarHBondContact O-CE1 3.23Å; Y219-L223 HydrophobicContact CD2-CD1 3.93Å; Y219-L223 HydrophobicContact CE2-CD1 4.42Å; Y219-L223 VanDerWaalsContact O-CB 3.31Å; Y219-L223 WeakPolarHBondContact O-CB 3.37Å; Y219-L223 VanDerWaalsContact O-CG 3.26Å; Y219-L223 WeakPolarHBondContact O-CG 3.38Å; Y219-L223 PolarHBondContact O-N 3.37Å
220L67.5Low61.8Low100 Ų100119.1 Ų119.152%0.52461%0.612SS.*Hα-helixtrans-66.1-42.6177.6-102.1165.2000112.1E218 L223 R224E218-L220 PolarHBondContact O-N 2.79Å; L220-L223 PolarHBondContact O-N 2.69Å; L220-R224 WeakPolarHBondContact O-CB 3.44Å; L220-R224 PolarHBondContact O-N 3.15Å
221T69.7Low62.6Low76 Ų76118.2 Ų118.247%0.46661%0.606SS.*Hα-helixtrans-73.4-32.5178.653.80000113G217 E218 K225G217-T221 WeakPolarHBondContact O-CG2 3.08Å; G217-T221 PolarHBondContact O-N 3.4Å; G217-T221 VanDerWaalsContact O-N 3.14Å; G217-T221 PolarHBondContact O-OG1 2.83Å; E218-T221 PolarHBondContact O-N 2.95Å; E218-T221 PolarHBondContact O-OG1 2.88Å; T221-K225 WeakPolarHBondContact O-CB 3.44Å; T221-K225 WeakPolarHBondContact O-CG 3.29Å; T221-K225 PolarHBondContact O-N 2.79Å
222V72.1Confident63.3Low89 Ų89119.3 Ų119.354%0.53960%0.603SS.*Hα-helixtrans-68.4-42.6170.6169.20000111.2E218 K226E218-V222 VanDerWaalsContact O-CB 3.3Å; E218-V222 WeakPolarHBondContact O-CB 3.26Å; E218-V222 VanDerWaalsContact O-CG2 3.25Å; E218-V222 WeakPolarHBondContact O-CG2 3.33Å; E218-V222 PolarHBondContact O-N 3.08Å; V222-K226 WeakPolarHBondContact O-CB 3.15Å; V222-K226 PolarHBondContact O-N 3.2Å
223L70.3Confident63.3Low90 Ų90116.5 Ų116.547%0.47159%0.591SS.*Hα-helixtrans-61.6-46.2174.1-78.3174.3000111.5Y219 L220 K226 I227Y219-L223 HydrophobicContact CD2-CD1 3.93Å; Y219-L223 HydrophobicContact CE2-CD1 4.42Å; Y219-L223 VanDerWaalsContact O-CB 3.31Å; Y219-L223 WeakPolarHBondContact O-CB 3.37Å; Y219-L223 VanDerWaalsContact O-CG 3.26Å; Y219-L223 WeakPolarHBondContact O-CG 3.38Å; Y219-L223 PolarHBondContact O-N 3.37Å; L220-L223 PolarHBondContact O-N 2.69Å; L223-K226 CarbonylContact O-C 3.59Å; L223-K226 PolarHBondContact O-N 3.43Å; L223-K226 VanDerWaalsContact O-N 3.16Å; L223-I227 VanDerWaalsContact O-CG1 3.31Å; L223-I227 WeakPolarHBondContact O-CG1 3.49Å; L223-I227 PolarHBondContact O-N 2.91Å
224R79.1Confident63.5Low184 Ų184117.2 Ų117.269%0.69459%0.59SS**Hα-helixtrans-59.5-53.7177.4-151.4173.9-164.41655.4110.6L220 K226 I227 D228L220-R224 WeakPolarHBondContact O-CB 3.44Å; L220-R224 PolarHBondContact O-N 3.15Å; R224-K226 PolarHBondContact O-N 2.94Å; R224-K226 VanDerWaalsContact O-N 3.16Å; R224-I227 CarbonylContact O-C 3.51Å; R224-I227 WeakPolarHBondContact O-CA 3.45Å; R224-I227 WeakPolarHBondContact O-CB 3.44Å; R224-I227 PolarHBondContact O-N 2.91Å; R224-D228 VanDerWaalsContact C-OD2 3.31Å; R224-D228 WeakPolarHBondContact O-CB 3.44Å; R224-D228 PolarHBondContact O-N 3.42Å; R224-D228 VanDerWaalsContact O-OD2 3.08Å
225K73.9Confident63.3Low150 Ų150116.7 Ų116.765%0.65259%0.588SS**Hα-helixtrans-56.4-33.7173.7-74.7174177.8173.10113.6T221 K229T221-K225 WeakPolarHBondContact O-CB 3.44Å; T221-K225 WeakPolarHBondContact O-CG 3.29Å; T221-K225 PolarHBondContact O-N 2.79Å; K225-K229 WeakPolarHBondContact O-CB 3.45Å; K225-K229 PolarHBondContact O-N 2.85Å
226K73.6Confident62.4Low132 Ų132118 Ų11857%0.57460%0.596SS**Hα-helixtrans-80.1-15.5176.5-172.6168.7-178.4173.90113.4V222 L223 R224 R230V222-K226 WeakPolarHBondContact O-CB 3.15Å; V222-K226 PolarHBondContact O-N 3.2Å; L223-K226 CarbonylContact O-C 3.59Å; L223-K226 PolarHBondContact O-N 3.43Å; L223-K226 VanDerWaalsContact O-N 3.16Å; R224-K226 PolarHBondContact O-N 2.94Å; R224-K226 VanDerWaalsContact O-N 3.16Å; K226-R230 WeakPolarHBondContact O-CG 3.31Å; K226-R230 PolarHBondContact O-NE 2.88Å
227I76.1Confident62.2Low78 Ų78120.4 Ų120.440%0.461%0.612SS.*Hα-helixtrans-86.2-54.4168.7-70162.2000108.4L223 R224 K229 R230 I231L223-I227 VanDerWaalsContact O-CG1 3.31Å; L223-I227 WeakPolarHBondContact O-CG1 3.49Å; L223-I227 PolarHBondContact O-N 2.91Å; R224-I227 CarbonylContact O-C 3.51Å; R224-I227 WeakPolarHBondContact O-CA 3.45Å; R224-I227 WeakPolarHBondContact O-CB 3.44Å; R224-I227 PolarHBondContact O-N 2.91Å; I227-K229 VanDerWaalsContact C-N 3.35Å; I227-K229 PolarHBondContact O-N 3.16Å; I227-R230 CarbonylContact O-C 3.56Å; I227-R230 WeakPolarHBondContact O-CA 3.37Å; I227-R230 PolarHBondContact O-N 3.16Å; I227-I231 HydrophobicContact CG2-CD1 3.63Å; I227-I231 HydrophobicContact CG2-CG1 4.41Å; I227-I231 WeakPolarHBondContact O-CG1 3.37Å; I227-I231 PolarHBondContact O-N 2.8Å
228D72.5Confident61.7Low82 Ų82127.4 Ų127.444%0.43963%0.633SS.*Hα-helixtrans-53.8-48.3177.8-53.8-29.3000111.3R224 R230 I231 N232R224-D228 VanDerWaalsContact C-OD2 3.31Å; R224-D228 WeakPolarHBondContact O-CB 3.44Å; R224-D228 PolarHBondContact O-N 3.42Å; R224-D228 VanDerWaalsContact O-OD2 3.08Å; D228-R230 VanDerWaalsContact C-N 3.27Å; D228-R230 PolarHBondContact O-N 2.82Å; D228-I231 PolarHBondContact O-N 2.95Å; D228-N232 VanDerWaalsContact O-CB 3.26Å; D228-N232 WeakPolarHBondContact O-CB 3.48Å; D228-N232 PolarHBondContact O-N 2.66Å
229K68.3Low61.4Low155 Ų155126.5 Ų126.567%0.67463%0.634SS**Hα-helixtrans-67-21.2177.1-166.1180-179.2-166.50113.4K225 I227 T233K225-K229 WeakPolarHBondContact O-CB 3.45Å; K225-K229 PolarHBondContact O-N 2.85Å; I227-K229 VanDerWaalsContact C-N 3.35Å; I227-K229 PolarHBondContact O-N 3.16Å; K229-T233 HydrophobicContact CG-CG2 4.29Å; K229-T233 WeakPolarHBondContact O-CG2 3.47Å; K229-T233 PolarHBondContact O-OG1 2.79Å
230R63.9Low60.7Low162 Ų162128.2 Ų128.261%0.61165%0.652SS**Hα-helixtrans-88.5-25.8173.4-79.8-174.6-65.2156.25.3113.3K226 I227 D228K226-R230 WeakPolarHBondContact O-CG 3.31Å; K226-R230 PolarHBondContact O-NE 2.88Å; I227-R230 CarbonylContact O-C 3.56Å; I227-R230 WeakPolarHBondContact O-CA 3.37Å; I227-R230 PolarHBondContact O-N 3.16Å; D228-R230 VanDerWaalsContact C-N 3.27Å; D228-R230 PolarHBondContact O-N 2.82Å
231I64.1Low59.9Low114 Ų114132.1 Ų132.159%0.58567%0.667SS**Hα-helixtrans-77.3-33.7173.6-66.8172000110.1I227 D228I227-I231 HydrophobicContact CG2-CD1 3.63Å; I227-I231 HydrophobicContact CG2-CG1 4.41Å; I227-I231 WeakPolarHBondContact O-CG1 3.37Å; I227-I231 PolarHBondContact O-N 2.8Å; D228-I231 PolarHBondContact O-N 2.95Å
232N51.5Low58.8Low141 Ų141135.8 Ų135.875%0.75468%0.684SS**SBendtrans-97.815.4-175.5-153.772.3000114.4D228D228-N232 VanDerWaalsContact O-CB 3.26Å; D228-N232 WeakPolarHBondContact O-CB 3.48Å; D228-N232 PolarHBondContact O-N 2.66Å
233T48.8Very low57.5Low85 Ų85139.8 Ų139.852%0.52169%0.694SS.*  trans-124.249.9171.861.60000110.7K229K229-T233 HydrophobicContact CG-CG2 4.29Å; K229-T233 WeakPolarHBondContact O-CG2 3.47Å; K229-T233 PolarHBondContact O-OG1 2.79Å
234V50.5Low56.3Low124 Ų124143.4 Ų143.475%0.75271%0.714SS**SBendtrans-10310.8171.1-69.10000112.7
235D50.7Low55.1Low146 Ų146142.7 Ų142.778%0.78172%0.719SS**SBendtrans-133.3147.1167-101-50.4000109.7
236C37Very low53.6Low125 Ų125143.3 Ų143.385%0.84573%0.729SS**  trans68.7108.9-177.8-55.20000116.9
237D47.6Very low52.3Low163 Ų163140.6 Ų140.687%0.87274%0.738SS**  trans-64.8146.2154.8-61.6-84.7000111
238E44.4Very low50.6Low189 Ų189141.6 Ų141.688%0.88376%0.758SS**  trans-164.9130.5142.4-112.9168.1-159.500110.3
239D49.1Very low49.4Very low144 Ų144144.9 Ų144.977%0.7778%0.782SS**  trans-5.9114.4179.3-54.2-31.7000121.4
240D44.9Very low48.2Very low164 Ų164140.8 Ų140.888%0.87778%0.783SS**  trans-114.2100.5145.3-91.3-41.7000107.9D242D240-D242 VanDerWaalsContact C-N 3.33Å; D240-D242 PolarHBondContact O-N 2.91Å
241E50.4Low47.3Very low182 Ų182137.6 Ų137.685%0.8578%0.778SS**  trans-79.666.3178.4-70.4-166.3142.200112.8
242D45.3Very low46.5Very low153 Ų153144.9 Ų144.982%0.81880%0.798SS**  trans-82.6121.4168.2-95.5-31.7000111.3D240 D244D240-D242 VanDerWaalsContact C-N 3.33Å; D240-D242 PolarHBondContact O-N 2.91Å; D242-D244 PolarHBondContact O-N 2.87Å
243F45.6Very low46.5Very low173 Ų173142.7 Ų142.776%0.75979%0.794SS**  trans-95.371.6-160.1-158.2-82.3000113.2E245F243-E245 HydrophobicContact CD1-CB 4.46Å; F243-E245 HydrophobicContact CE1-CB 4.13Å
244D45.7Very low46.9Very low165 Ų165148.2 Ų148.288%0.88281%0.805SS**  trans-94.190.8170.9-87.9-40.1000111.5D242 D246D242-D244 PolarHBondContact O-N 2.87Å; D244-D246 PolarHBondContact O-N 2.98Å
245E53.2Low47.3Very low170 Ų170152.6 Ų152.679%0.79481%0.809SS**  trans-8791.4177-171.9179.7174.100112.2F243F243-E245 HydrophobicContact CD1-CB 4.46Å; F243-E245 HydrophobicContact CE1-CB 4.13Å
246D43.4Very low48Very low163 Ų163157.4 Ų157.487%0.87282%0.816SS**  trans-145.5145.2145.8-160.73.1000111.1D244D244-D246 PolarHBondContact O-N 2.98Å
247G44.3Very low49.6Very low74 Ų74157.5 Ų157.576%0.76380%0.804SS**  trans-102.7104.1-158.400000115.5
248A42.4Very low50.9Low100 Ų100154.1 Ų154.183%0.82679%0.791SS**  trans-136.3111.8164.200000112.3
249T45.6Very low52.3Low151 Ų151151.3 Ų151.393%0.92679%0.789SS**  trans-58.9133.4-179.351.40000114.3
250G43.5Very low53.6Low68 Ų68149.6 Ų149.670%0.70178%0.775SS**  trans147.3114.9151.400000117.5
251D45.6Very low55.1Low96 Ų96144.8 Ų144.851%0.51375%0.751SS.*  trans60.288.2152.5-174.327.7000118.5S253 R254D251-S253 PolarHBondContact O-N 3.47Å; D251-S253 VanDerWaalsContact OD1-CA 3.28Å; D251-S253 WeakPolarHBondContact OD1-CA 3.03Å; D251-S253 WeakPolarHBondContact OD1-CB 3.18Å; D251-S253 PolarHBondContact OD1-N 2.86Å; D251-R254 WeakPolarHBondContact OD2-CG 3.47Å; D251-R254 IonicContact OD2-NE 3.62Å
252R48.1Very low56.1Low266 Ų266146.1 Ų146.1100%1.00475%0.748SS**THydrogen-bonded Turntrans-75.11.6164.7-72.1-173174.9-172.9-2.1113.8
253S51.6Low57.4Low95 Ų95142.5 Ų142.566%0.66475%0.747SS**THydrogen-bonded Turntrans-98.410.7-172.8-1510000114.4D251 R255D251-S253 PolarHBondContact O-N 3.47Å; D251-S253 VanDerWaalsContact OD1-CA 3.28Å; D251-S253 WeakPolarHBondContact OD1-CA 3.03Å; D251-S253 WeakPolarHBondContact OD1-CB 3.18Å; D251-S253 PolarHBondContact OD1-N 2.86Å; S253-R255 PolarHBondContact O-N 2.86Å
254R56.1Low58.9Low201 Ų201137.6 Ų137.676%0.75873%0.727SS**  trans-68.776.8167.6-59.9-165.4-169.5178.48.3110.9D251 R256D251-R254 WeakPolarHBondContact OD2-CG 3.47Å; D251-R254 IonicContact OD2-NE 3.62Å; R254-R256 PolarHBondContact O-N 3.37Å
255R59.7Low60.4Low217 Ų217135.7 Ų135.782%0.81971%0.714SS**  trans-43.4126.9160.4-71-173.3174.5-157.1-3.2107.4S253 Q257S253-R255 PolarHBondContact O-N 2.86Å; R255-Q257 PolarHBondContact O-N 3.14Å
256R64.9Low61.7Low247 Ų247130.6 Ų130.693%0.93269%0.692SS**  trans-56.9105.6-179.3-65.4-175.7-177.1-146.9-0.1107.9R254R254-R256 PolarHBondContact O-N 3.37Å
257Q70Confident63.4Low127 Ų127125.5 Ų125.559%0.59366%0.664SS**  trans-57.3148.4173.8-69.6-72.5-57.400108.2R255R255-Q257 PolarHBondContact O-N 3.14Å
258P75.2Confident64.9Low92 Ų92128.1 Ų128.160%0.59766%0.661SS**  trans-47.7143166.6-26.635.5000110.1K260P258-K260 WeakPolarHBondContact O-CG 3.31Å; P258-K260 PolarHBondContact O-N 2.91Å
259P74.8Confident66.8Low130 Ų130128.2 Ų128.284%0.84465%0.648SS**  trans-59.2112.3179.6-2333.9000110.4
260K76Confident68.6Low108 Ų108122.8 Ų122.847%0.4761%0.613SS.*  trans-91.6127.3-172.7-57.8-154.8158.9178.70112.1P258 E264 L266P258-K260 WeakPolarHBondContact O-CG 3.31Å; P258-K260 PolarHBondContact O-N 2.91Å; K260-E264 WeakPolarHBondContact CA-OE2 3.44Å; K260-E264 VanDerWaalsContact CB-OE1 3.27Å; K260-E264 WeakPolarHBondContact CB-OE1 3.28Å; K260-E264 WeakPolarHBondContact CD-OE1 3.3Å; K260-E264 WeakPolarHBondContact CE-OE1 3.39Å; K260-E264 WeakPolarHBondContact CG-OE1 3.25Å; K260-L266 VanDerWaalsContact NZ-CD1 3.31Å
261V75Confident70.6Confident63 Ų63124 Ų12438%0.38261%0.608SS.*  trans-81.4143171.9-1780000109.3G263 E264 H390V261-G263 PolarHBondContact O-N 3.43Å; V261-E264 PolarHBondContact N-OE2 2.85Å; V261-E264 WeakPolarHBondContact O-CG 3.15Å; V261-E264 PolarHBondContact O-N 3.18Å; V261-E264 VanDerWaalsContact O-N 3.15Å; V261-H390 HydrophobicContact CG1-CB 3.86Å
262R71.6Confident72.4Confident209 Ų209124 Ų12479%0.78961%0.614SS**THydrogen-bonded Turntrans-72.495.5-176.5-175.4-170.8175.4-171.5-1.8110.8
263G72.3Confident74.2Confident78 Ų78113.7 Ų113.780%0.80458%0.578SS**THydrogen-bonded Turntrans116.15.1-178.100000113.8V261V261-G263 PolarHBondContact O-N 3.43Å
264E78.6Confident75.5Confident70 Ų70116.7 Ų116.733%0.32758%0.581SS.*  trans-57.6145.1163.776.4-174.1-153.100110.4K260 V261 L266K260-E264 WeakPolarHBondContact CA-OE2 3.44Å; K260-E264 VanDerWaalsContact CB-OE1 3.27Å; K260-E264 WeakPolarHBondContact CB-OE1 3.28Å; K260-E264 WeakPolarHBondContact CD-OE1 3.3Å; K260-E264 WeakPolarHBondContact CE-OE1 3.39Å; K260-E264 WeakPolarHBondContact CG-OE1 3.25Å; V261-E264 PolarHBondContact N-OE2 2.85Å; V261-E264 WeakPolarHBondContact O-CG 3.15Å; V261-E264 PolarHBondContact O-N 3.18Å; V261-E264 VanDerWaalsContact O-N 3.15Å; E264-L266 HydrophobicContact CG-CD2 4.48Å
265M76.4Confident76.4Confident125 Ų125111.3 Ų111.362%0.61656%0.564SS**  trans-118.9122.3176.1-176.9172.353.600107.8D269 L270M265-D269 HydrophobicContact CG-CB 3.75Å; M265-L270 HydrophobicContact CE-CD2 3.5Å; M265-L270 VanDerWaalsContact CE-CD2 3.5Å; M265-L270 HydrophobicContact CE-CG 4.11Å; M265-L270 HydrophobicContact CG-CG 4.33Å; M265-L270 HydrophobicContact SD-CD2 3.96Å; M265-L270 HydrophobicContact SD-CG 4.26Å
266L81.3Confident77.3Confident63 Ų63103.4 Ų103.433%0.3354%0.538SS..  trans-86.2165.4-174.7-57168.1000111K260 E264 D268 D269 L270K260-L266 VanDerWaalsContact NZ-CD1 3.31Å; E264-L266 HydrophobicContact CG-CD2 4.48Å; L266-D268 PolarHBondContact O-N 2.76Å; L266-D269 VanDerWaalsContact CB-OD2 3.26Å; L266-D269 WeakPolarHBondContact CB-OD2 3.28Å; L266-D269 WeakPolarHBondContact CG-OD2 3.32Å; L266-D269 PolarHBondContact N-OD2 3.45Å; L266-D269 PolarHBondContact O-N 3.38Å; L266-L270 PolarHBondContact O-N 3.09Å
267L78.3Confident77.8Confident56 Ų5699.1 Ų99.129%0.29353%0.528SS..THydrogen-bonded Turntrans-59-18.6175.1-61.2176.7000113.4L270 L298 F329 R343L267-L270 HydrophobicContact CD2-CD1 4.42Å; L267-L298 HydrophobicContact CD1-CD1 3.92Å; L267-L298 HydrophobicContact CD1-CD2 4.2Å; L267-L298 HydrophobicContact CD1-CG 3.96Å; L267-L298 HydrophobicContact CD2-CD2 4.36Å; L267-F329 HydrophobicContact CD2-CE1 3.83Å; L267-F329 HydrophobicContact CD2-CZ 4.08Å; L267-R343 PolarHBondContact O-NE 3.38Å; L267-R343 PolarHBondContact O-NH2 2.99Å
268D75.6Confident78.4Confident129 Ų12995.1 Ų95.169%0.6951%0.511SS*.THydrogen-bonded Turntrans-93.7-19.8177.4-58.7-24.1000113.3L266 Q297L266-D268 PolarHBondContact O-N 2.76Å; D268-Q297 PolarHBondContact OD1-NE2 2.81Å
269D81.8Confident78.7Confident102 Ų10295.9 Ų95.955%0.54551%0.514SS..THydrogen-bonded Turntrans-82.8-25.4175.4-60.4-51.4000111.5M265 L266M265-D269 HydrophobicContact CG-CB 3.75Å; L266-D269 VanDerWaalsContact CB-OD2 3.26Å; L266-D269 WeakPolarHBondContact CB-OD2 3.28Å; L266-D269 WeakPolarHBondContact CG-OD2 3.32Å; L266-D269 PolarHBondContact N-OD2 3.45Å; L266-D269 PolarHBondContact O-N 3.38Å
270L83.7Confident79.2Confident37 Ų3790.3 Ų90.319%0.19448%0.477CS..SBendtrans-67.2142.8175.1-82.1168000112.2M265 L266 L267 F329 R343M265-L270 HydrophobicContact CE-CD2 3.5Å; M265-L270 VanDerWaalsContact CE-CD2 3.5Å; M265-L270 HydrophobicContact CE-CG 4.11Å; M265-L270 HydrophobicContact CG-CG 4.33Å; M265-L270 HydrophobicContact SD-CD2 3.96Å; M265-L270 HydrophobicContact SD-CG 4.26Å; L266-L270 PolarHBondContact O-N 3.09Å; L267-L270 HydrophobicContact CD2-CD1 4.42Å; L270-F329 HydrophobicContact CD1-CE2 3.69Å; L270-F329 HydrophobicContact CD1-CZ 3.5Å; L270-F329 VanDerWaalsContact CD1-CZ 3.5Å; L270-R343 VanDerWaalsContact CB-NH2 3.34Å; L270-R343 PolarHBondContact O-NH2 3.04Å
271P85.8Confident79.5Confident94 Ų9488.5 Ų88.561%0.6148%0.477SS*.PPolyproline II helixtrans-58.5152.5-178.425.5-35.1000112.9R343P271-R343 PolarHBondContact O-NH1 2.8Å; P271-R343 PolarHBondContact O-NH2 2.76Å
272P84.4Confident80Confident96 Ų9689.3 Ų89.362%0.62348%0.476SS*.PPolyproline II helixtrans-68.4136177.228.8-34.5000111.1N345P272-N345 WeakPolarHBondContact CA-OD1 3.48Å
273I84.8Confident80.4Confident48 Ų4886.3 Ų86.325%0.24648%0.476CS..PPolyproline II helixtrans-79.6145.6178.8-62.6171.9000109.5R343 N345I273-R343 HydrophobicContact CD1-CB 3.58Å; I273-R343 HydrophobicContact CD1-CG 3.59Å; I273-R343 WeakPolarHBondContact CD1-O 3.46Å; I273-N345 PolarHBondContact N-OD1 3.41Å; I273-N345 PolarHBondContact O-ND2 3.3Å
274H79.4Confident81.1Confident159 Ų15985.7 Ų85.774%0.73645%0.452SS*.PPolyproline II helixtrans-80.9143.2178-70.477.1000111.3L276H274-L276 PolarHBondContact O-N 3.38Å
275Q74.8Confident81.5Confident88 Ų8883.3 Ų83.341%0.41144%0.443SS..  trans-71.997.7175.6172.169.617.100109.1E277 R353Q275-E277 HydrophobicContact CG-CG 4.13Å; Q275-E277 PolarHBondContact NE2-OE1 3Å; Q275-E277 VanDerWaalsContact NE2-OE1 3.1Å; Q275-R353 VanDerWaalsContact OE1-CZ 3.29Å
276L77.9Confident82.2Confident50 Ų5080.4 Ų80.426%0.26243%0.432SS..  trans-75.3128.6175.1-63.6176.3000111H274 I278 V315 V324H274-L276 PolarHBondContact O-N 3.38Å; L276-I278 HydrophobicContact CD2-CD1 4.43Å; L276-V315 HydrophobicContact CD1-CG2 4.19Å; L276-V324 HydrophobicContact CB-CG1 4Å; L276-V324 HydrophobicContact CB-CG2 4.39Å; L276-V324 WeakPolarHBondContact O-CB 3.5Å
277E76.7Confident82.7Confident157 Ų15781.1 Ų81.173%0.73443%0.434SS*.  trans-126.955.1178.1-60.3-166.216600110.8Q275Q275-E277 HydrophobicContact CG-CG 4.13Å; Q275-E277 PolarHBondContact NE2-OE1 3Å; Q275-E277 VanDerWaalsContact NE2-OE1 3.1Å
278I81.4Confident83.3Confident43 Ų4378.5 Ų78.522%0.22142%0.42CS..  trans-88.7131178.2-56.4167.9000109.1L276 V280 F317 V324L276-I278 HydrophobicContact CD2-CD1 4.43Å; I278-V280 HydrophobicContact CG2-CG2 4.39Å; I278-F317 HydrophobicContact CB-CE1 4.33Å; I278-F317 HydrophobicContact CG2-CE1 4.22Å; I278-F317 HydrophobicContact CG2-CZ 4.37Å; I278-V324 HydrophobicContact CB-CG2 3.9Å; I278-V324 VanDerWaalsContact N-CG2 3.28Å; I278-V324 WeakPolarHBondContact O-CG2 3.41Å
279T82.7Confident84.2Confident109 Ų10972.4 Ų72.467%0.66939%0.388SS*.  trans-114.8125.417456.60000111.1G321T279-G321 WeakPolarHBondContact CA-O 3.37Å
280V84.3Confident84.8Confident12 Ų1272 Ų727%0.07338%0.381CS..  trans-109141.7179.5176.50000109.5I278 E284 F317 G321 A364 T367I278-V280 HydrophobicContact CG2-CG2 4.39Å; V280-E284 HydrophobicContact CG1-CB 4.1Å; V280-F317 HydrophobicContact CB-CE1 4.42Å; V280-F317 HydrophobicContact CG2-CD1 4.37Å; V280-F317 HydrophobicContact CG2-CE1 3.63Å; V280-F317 HydrophobicContact CG2-CE2 4.07Å; V280-F317 HydrophobicContact CG2-CZ 3.46Å; V280-F317 VanDerWaalsContact CG2-CZ 3.46Å; V280-G321 PolarHBondContact N-O 3.21Å; V280-G321 CarbonylContact O-C 3.58Å; V280-G321 WeakPolarHBondContact O-CA 3.18Å; V280-A364 HydrophobicContact CB-CB 4.4Å; V280-A364 HydrophobicContact CG1-CB 3.81Å; V280-A364 HydrophobicContact CG2-CB 4.06Å; V280-T367 HydrophobicContact CG1-CG2 4.25Å; V280-T367 HydrophobicContact CG2-CG2 4.34Å
281P83.6Confident85.4Confident71 Ų7170.3 Ų70.346%0.46137%0.372SS..  trans-61.6147.1174.425.1-35.5000113.3D283 E284 C285P281-D283 PolarHBondContact O-N 3.06Å; P281-E284 HydrophobicContact CG-CB 4.33Å; P281-E284 HydrophobicContact CG-CG 3.91Å; P281-E284 PolarHBondContact O-N 2.9Å; P281-C285 PolarHBondContact O-SG 2.84Å
282E84Confident85.8Confident79 Ų7970.9 Ų70.937%0.36937%0.367SS..G310 helixtrans-59.6-31.3-178.3-62.5-157.917700112.9E284 C285 K320 R322E282-E284 PolarHBondContact O-N 2.91Å; E282-E284 VanDerWaalsContact O-N 3.17Å; E282-C285 PolarHBondContact O-N 2.79Å; E282-K320 HydrophobicContact CB-CB 4.27Å; E282-K320 HydrophobicContact CB-CD 4.18Å; E282-K320 HydrophobicContact CG-CB 3.89Å; E282-K320 HydrophobicContact CG-CD 3.97Å; E282-K320 WeakPolarHBondContact OE2-CD 3.13Å; E282-K320 WeakPolarHBondContact OE2-CE 3.08Å; E282-K320 IonicContact OE2-NZ 2.66Å; E282-K320 PolarHBondContact OE2-NZ 3.31Å; E282-R322 IonicContact OE1-CZ 3.71Å; E282-R322 IonicContact OE1-NE 3.56Å; E282-R322 IonicContact OE1-NH2 3.64Å
283D81.5Confident86.3Confident146 Ų14668.2 Ų68.278%0.78135%0.351SS*.G310 helixtrans-70.5-5.3-178.3-56.6-49.5000114.5P281 K366P281-D283 PolarHBondContact O-N 3.06Å; D283-K366 PolarHBondContact O-NZ 3.47Å
284E85.1Confident86.7Confident65 Ų6568.1 Ų68.130%0.30435%0.35SS..G310 helixtrans-116-3.8177.6-54.5-161140.100112.7V280 P281 E282 K366V280-E284 HydrophobicContact CG1-CB 4.1Å; P281-E284 HydrophobicContact CG-CB 4.33Å; P281-E284 HydrophobicContact CG-CG 3.91Å; P281-E284 PolarHBondContact O-N 2.9Å; E282-E284 PolarHBondContact O-N 2.91Å; E282-E284 VanDerWaalsContact O-N 3.17Å; E284-K366 HydrophobicContact CB-CD 4.01Å; E284-K366 HydrophobicContact CG-CD 3.76Å; E284-K366 WeakPolarHBondContact OE1-CD 3.47Å
285C87.7Confident87.2Confident21 Ų2163.9 Ų63.914%0.14234%0.335CS..PPolyproline II helixtrans-89.7118-178.6-66.80000111.8P281 E282 K320 G321 Y362 C363P281-C285 PolarHBondContact O-SG 2.84Å; E282-C285 PolarHBondContact O-N 2.79Å; C285-K320 HydrophobicContact CB-CB 4.21Å; C285-G321 WeakPolarHBondContact SG-CA 3.46Å; C285-G321 PolarHBondContact SG-N 3.1Å; C285-G321 VanDerWaalsContact SG-N 3.43Å; C285-Y362 HydrophobicContact CB-CD1 4.38Å; C285-C363 WeakPolarHBondContact CA-O 3.33Å
286V90.8Very high87.9Confident64 Ų6465.9 Ų65.939%0.38835%0.349SS..EExtended strand (participates in β ladder)trans-100.5137.1173.6177.10000109.5L288 Y362 C363 P365V286-L288 PolarHBondContact O-N 3.25Å; V286-Y362 CarbonylContact O-C 3.53Å; V286-Y362 VanDerWaalsContact O-CA 3.24Å; V286-Y362 WeakPolarHBondContact O-CA 3.46Å; V286-C363 PolarHBondContact N-O 3.03Å; V286-C363 PolarHBondContact O-N 3.48Å; V286-P365 HydrophobicContact CB-CG 4.17Å; V286-P365 HydrophobicContact CG2-CG 3.6Å
287E92.2Very high88.5Confident77 Ų7764.8 Ų64.836%0.3634%0.342SS..EExtended strand (participates in β ladder)trans-67.7118.6175.3-173.8170.4159.900109.9L304 V360 Y362E287-L304 HydrophobicContact CG-CD1 3.93Å; E287-V360 HydrophobicContact CG-CG1 3.62Å; E287-Y362 HydrophobicContact CB-CD1 4.16Å; E287-Y362 HydrophobicContact CB-CE1 3.89Å; E287-Y362 HydrophobicContact CG-CE1 4.29Å
288L91.4Very high89.3Confident1 Ų158.6 Ų58.61%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-90.5-46.2-179.4173.661.6000111.4V286 V303 L304 F310 L316 Y340 V361 C363V286-L288 PolarHBondContact O-N 3.25Å; L288-V303 HydrophobicContact CD1-CG1 3.94Å; L288-V303 HydrophobicContact CD1-CG2 4Å; L288-V303 HydrophobicContact CG-CG2 4.24Å; L288-L304 PolarHBondContact O-N 2.89Å; L288-F310 HydrophobicContact CD1-CD2 3.79Å; L288-F310 HydrophobicContact CD1-CE2 3.73Å; L288-L316 HydrophobicContact CD2-CD1 4.02Å; L288-L316 HydrophobicContact CD2-CD2 3.48Å; L288-L316 VanDerWaalsContact CD2-CD2 3.48Å; L288-L316 HydrophobicContact CD2-CG 4.39Å; L288-Y340 HydrophobicContact CD1-CE2 4.28Å; L288-Y340 HydrophobicContact CD2-CD2 4.1Å; L288-Y340 HydrophobicContact CD2-CE2 4.36Å; L288-V361 HydrophobicContact CD2-CG1 4.48Å; L288-V361 PolarHBondContact N-O 3.1Å; L288-C363 HydrophobicContact CB-CB 4.3Å; L288-C363 HydrophobicContact CD2-CB 4.48Å
289G93.8Very high89.9Confident1 Ų156.6 Ų56.61%0.0130%0.304CS..EExtended strand (participates in β ladder)trans172.5-162.2-160.100000112.9S302 V361G289-S302 CarbonylContact C-O 3.58Å; G289-S302 WeakPolarHBondContact CA-O 3.45Å; G289-V361 PolarHBondContact N-O 3Å; G289-V361 PolarHBondContact O-N 2.79Å
290K95.1Very high90.5Very high93 Ų9352.5 Ų52.540%0.40428%0.278SS..EExtended strand (participates in β ladder)trans-139.3149.9-177.9-61.1179.9-175172.90110.7Q292 V301 S302 D359 V360K290-Q292 PolarHBondContact O-N 3.18Å; K290-Q292 VanDerWaalsContact O-N 3.12Å; K290-V301 CarbonylContact O-C 3.53Å; K290-V301 WeakPolarHBondContact O-CA 3.29Å; K290-S302 PolarHBondContact N-O 3.31Å; K290-S302 PolarHBondContact O-N 2.9Å; K290-S302 PolarHBondContact O-OG 2.88Å; K290-D359 VanDerWaalsContact CA-O 3.31Å; K290-D359 WeakPolarHBondContact CA-O 3.48Å; K290-V360 HydrophobicContact CG-CG2 4.37Å
291V95.5Very high91Very high2 Ų252 Ų521%0.01228%0.275CS..EExtended strand (participates in β ladder)trans-64.3112.5172179.60000108.9I294 V299 L300 I355 K356 G358 D359 V361V291-I294 HydrophobicContact CG1-CG1 4.2Å; V291-V299 HydrophobicContact CB-CG1 4.47Å; V291-V299 HydrophobicContact CG1-CG1 3.64Å; V291-V299 HydrophobicContact CG2-CG1 4.07Å; V291-L300 CarbonylContact C-O 3.49Å; V291-I355 HydrophobicContact CG2-CG2 4.19Å; V291-K356 WeakPolarHBondContact CB-O 3.44Å; V291-G358 PolarHBondContact O-N 2.82Å; V291-D359 HydrophobicContact CG2-CB 4.35Å; V291-D359 PolarHBondContact N-O 3.15Å; V291-V361 HydrophobicContact CG2-CG2 3.85Å
292Q94.3Very high91.5Very high107 Ų10750.4 Ų50.450%0.527%0.265SS..EExtended strand (participates in β ladder)trans-83.2-42-179.4-168.7-168.159.200111.6K290 L300 L339 I357K290-Q292 PolarHBondContact O-N 3.18Å; K290-Q292 VanDerWaalsContact O-N 3.12Å; Q292-L300 PolarHBondContact N-O 2.89Å; Q292-L339 HydrophobicContact CB-CD1 4.3Å; Q292-I357 WeakPolarHBondContact O-CG2 3.39Å
293S94.4Very high92Very high40 Ų4047.7 Ų47.728%0.2825%0.254SS..EExtended strand (participates in β ladder)trans-160.5166.1-175.7-169.90000111.1L300S293-L300 PolarHBondContact N-O 3.43Å; S293-L300 PolarHBondContact O-N 3.12Å
294I93.3Very high92.4Very high45 Ų4544 Ų4423%0.23123%0.234CC..EExtended strand (participates in β ladder)trans-131.7121.3175.9-53178.7000106.5V291 V299 I350 I357V291-I294 HydrophobicContact CG1-CG1 4.2Å; I294-V299 HydrophobicContact CG1-CG2 4.43Å; I294-V299 HydrophobicContact CG2-CG2 4.32Å; I294-I350 HydrophobicContact CD1-CG2 3.95Å; I294-I350 HydrophobicContact CG2-CD1 3.84Å; I294-I350 HydrophobicContact CG2-CG2 4.13Å; I294-I357 HydrophobicContact CD1-CG1 4.32Å; I294-I357 HydrophobicContact CG1-CG1 4.12Å
295V91.2Very high92.4Very high70 Ų7045 Ų4542%0.42425%0.246SC..EExtended strand (participates in β ladder)trans-126.8110.6-173.3-177.10000108.3Q297 L298 L300V295-Q297 PolarHBondContact O-N 2.84Å; V295-L298 PolarHBondContact N-O 3.05Å; V295-L298 PolarHBondContact O-N 3.08Å; V295-L300 HydrophobicContact CG2-CD1 3.87Å
296D88.9Confident92.1Very high130 Ų13052.1 Ų52.170%0.69528%0.283SS*.THydrogen-bonded Turntrans48.9-97.2-173-60.7-38.1000113.1N347D296-N347 VanDerWaalsContact O-CB 3.28Å; D296-N347 WeakPolarHBondContact O-CB 3.13Å; D296-N347 PolarHBondContact O-ND2 2.83Å
297Q90.6Very high91.8Very high27 Ų2750.6 Ų50.613%0.12628%0.275CS..THydrogen-bonded Turntrans-118.317.1178.467.2-161.6-9.100114D268 V295 F344D268-Q297 PolarHBondContact OD1-NE2 2.81Å; V295-Q297 PolarHBondContact O-N 2.84Å; Q297-F344 PolarHBondContact O-N 2.95Å
298L93.1Very high91.5Very high28 Ų2850.6 Ų50.615%0.14728%0.276CS..EExtended strand (participates in β ladder)trans-109140.4171.3-56.2-176.4000110.7L267 V295 F329 V342 R343L267-L298 HydrophobicContact CD1-CD1 3.92Å; L267-L298 HydrophobicContact CD1-CD2 4.2Å; L267-L298 HydrophobicContact CD1-CG 3.96Å; L267-L298 HydrophobicContact CD2-CD2 4.36Å; V295-L298 PolarHBondContact N-O 3.05Å; V295-L298 PolarHBondContact O-N 3.08Å; L298-F329 HydrophobicContact CD2-CD1 4.37Å; L298-V342 CarbonylContact C-O 3.43Å; L298-V342 WeakPolarHBondContact CA-O 3.11Å; L298-R343 HydrophobicContact CD2-CB 3.63Å; L298-R343 HydrophobicContact CD2-CG 3.85Å
299V94.6Very high91.3Very high0 Ų053.3 Ų53.30%029%0.29CS..EExtended strand (participates in β ladder)trans-108127.5167.3179.40000108.3V291 I294 V301 L325 V342 F344 I350 I355V291-V299 HydrophobicContact CB-CG1 4.47Å; V291-V299 HydrophobicContact CG1-CG1 3.64Å; V291-V299 HydrophobicContact CG2-CG1 4.07Å; I294-V299 HydrophobicContact CG1-CG2 4.43Å; I294-V299 HydrophobicContact CG2-CG2 4.32Å; V299-V301 HydrophobicContact CG1-CG2 4.45Å; V299-L325 HydrophobicContact CG1-CD1 4.48Å; V299-V342 PolarHBondContact N-O 2.78Å; V299-V342 PolarHBondContact O-N 3.45Å; V299-F344 HydrophobicContact CB-CE2 3.96Å; V299-F344 HydrophobicContact CG2-CD2 3.96Å; V299-F344 HydrophobicContact CG2-CE2 3.36Å; V299-F344 HydrophobicContact CG2-CZ 4.14Å; V299-I350 HydrophobicContact CG2-CD1 3.85Å; V299-I350 HydrophobicContact CG2-CG1 4.21Å; V299-I350 HydrophobicContact CG2-CG2 3.8Å; V299-I355 HydrophobicContact CG1-CG2 4.43Å
300L95.3Very high91.2Very high24 Ų2453.5 Ų53.513%0.12629%0.291CS..EExtended strand (participates in β ladder)trans-101.5121.3-178-58.2179.1000109.6V291 Q292 S293 V295 L339 Y340 C341V291-L300 CarbonylContact C-O 3.49Å; Q292-L300 PolarHBondContact N-O 2.89Å; S293-L300 PolarHBondContact N-O 3.43Å; S293-L300 PolarHBondContact O-N 3.12Å; V295-L300 HydrophobicContact CG2-CD1 3.87Å; L300-L339 HydrophobicContact CB-CD1 4.16Å; L300-L339 HydrophobicContact CB-CD2 4.36Å; L300-L339 HydrophobicContact CB-CG 4.27Å; L300-L339 HydrophobicContact CD1-CD2 4.28Å; L300-L339 HydrophobicContact CD2-CD2 4.48Å; L300-Y340 WeakPolarHBondContact CA-O 3.25Å; L300-C341 HydrophobicContact CD2-CB 4.18Å; L300-C341 WeakPolarHBondContact CD2-SG 3.27Å
301V95.5Very high91Very high0 Ų051.2 Ų51.20%028%0.283CS..EExtended strand (participates in β ladder)trans-112112.3-177.2-178.40000109.8K290 V299 L316 L325 Y340 V361K290-V301 CarbonylContact O-C 3.53Å; K290-V301 WeakPolarHBondContact O-CA 3.29Å; V299-V301 HydrophobicContact CG1-CG2 4.45Å; V301-L316 HydrophobicContact CG2-CD1 4.5Å; V301-L325 HydrophobicContact CG2-CD2 3.73Å; V301-Y340 PolarHBondContact N-O 3.2Å; V301-Y340 PolarHBondContact O-N 3.4Å; V301-V361 HydrophobicContact CG1-CB 3.86Å; V301-V361 HydrophobicContact CG1-CG1 4.08Å; V301-V361 HydrophobicContact CG1-CG2 3.76Å; V301-V361 HydrophobicContact CG2-CG2 4.02Å
302S94Very high90.8Very high38 Ų3854.5 Ų54.527%0.26630%0.3SS..EExtended strand (participates in β ladder)trans-83.1127.7174.2560000110.4G289 K290G289-S302 CarbonylContact C-O 3.58Å; G289-S302 WeakPolarHBondContact CA-O 3.45Å; K290-S302 PolarHBondContact N-O 3.31Å; K290-S302 PolarHBondContact O-N 2.9Å; K290-S302 PolarHBondContact O-OG 2.88Å
303V93.1Very high90.5Very high22 Ų2254 Ų5413%0.13330%0.301CS..EExtended strand (participates in β ladder)trans-83.2153.9-175176.70000111.9L288 P338 Y340L288-V303 HydrophobicContact CD1-CG1 3.94Å; L288-V303 HydrophobicContact CD1-CG2 4Å; L288-V303 HydrophobicContact CG-CG2 4.24Å; V303-P338 HydrophobicContact CB-CG 4.14Å; V303-P338 HydrophobicContact CG1-CG 4.4Å; V303-P338 HydrophobicContact CG2-CG 4Å; V303-P338 WeakPolarHBondContact CG2-O 3.36Å; V303-Y340 HydrophobicContact CG2-CD2 3.41Å; V303-Y340 VanDerWaalsContact CG2-CD2 3.41Å; V303-Y340 HydrophobicContact CG2-CE2 3.44Å; V303-Y340 VanDerWaalsContact CG2-CE2 3.44Å
304L90.9Very high90.4Very high68 Ų6852 Ų5236%0.35629%0.287SS..PPolyproline II helixtrans-77.3138.1171.4-67.6174.6000110.9E287 L288 N306 S307E287-L304 HydrophobicContact CG-CD1 3.93Å; L288-L304 PolarHBondContact O-N 2.89Å; L304-N306 PolarHBondContact O-N 2.89Å; L304-S307 WeakPolarHBondContact O-CB 3.48Å; L304-S307 PolarHBondContact O-N 2.86Å
305P85.4Confident90.3Very high87 Ų8750.2 Ų50.257%0.56528%0.278SS*.THydrogen-bonded Turntrans-62.8137.7-179.826.3-34.8000111S307P305-S307 VanDerWaalsContact C-N 3.3Å
306N81.2Confident90.3Very high170 Ų17046.9 Ų46.991%0.90926%0.258SS*.THydrogen-bonded Turntrans69.115.2-170.9-37.9-89.7000115.4L304L304-N306 PolarHBondContact O-N 2.89Å
307S83.4Confident90.5Very high32 Ų3240.7 Ų40.722%0.22423%0.225CC..  trans-72.4168.9165.9-161.60000111.8L304 P305L304-S307 WeakPolarHBondContact O-CB 3.48Å; L304-S307 PolarHBondContact O-N 2.86Å; P305-S307 VanDerWaalsContact C-N 3.3Å
308M86Confident90.6Very high78 Ų7839.8 Ų39.838%0.38422%0.221SC..  trans-74.3144.8177.4-66.5-178.6-71.900111.2F310 P365 F372M308-F310 HydrophobicContact CB-CE2 3.88Å; M308-F310 HydrophobicContact CB-CZ 3.92Å; M308-F310 HydrophobicContact CE-CZ 4.15Å; M308-F310 VanDerWaalsContact O-CD2 3.24Å; M308-F310 WeakPolarHBondContact O-CD2 3.49Å; M308-F310 VanDerWaalsContact O-CE2 3.28Å; M308-F310 WeakPolarHBondContact O-CE2 3.47Å; M308-P365 HydrophobicContact CE-CB 3.79Å; M308-P365 HydrophobicContact CE-CG 3.93Å; M308-F372 HydrophobicContact CB-CD1 4.46Å; M308-F372 HydrophobicContact CB-CE1 4.24Å; M308-F372 HydrophobicContact CE-CE1 4.29Å; M308-F372 HydrophobicContact SD-CE1 3.8Å
309L88.5Confident90.4Very high58 Ų5843.4 Ų43.430%0.30424%0.237SC..  trans-88.6113175.9-61.1-178.9000110.1V335 P338 V373L309-V335 HydrophobicContact CD1-CG1 4.03Å; L309-P338 HydrophobicContact CD2-CG 3.78Å; L309-V373 HydrophobicContact CB-CB 3.98Å; L309-V373 HydrophobicContact CB-CG2 4.35Å; L309-V373 PolarHBondContact O-N 3.33Å
310F90.3Very high90.1Very high4 Ų447.5 Ų47.52%0.01826%0.255CS..BIsolated β-bridgetrans-91.2144.2174.3-61.9-80000110.9L288 M308 T314 Y340 C363 Q371 F372 V373L288-F310 HydrophobicContact CD1-CD2 3.79Å; L288-F310 HydrophobicContact CD1-CE2 3.73Å; M308-F310 HydrophobicContact CB-CE2 3.88Å; M308-F310 HydrophobicContact CB-CZ 3.92Å; M308-F310 HydrophobicContact CE-CZ 4.15Å; M308-F310 VanDerWaalsContact O-CD2 3.24Å; M308-F310 WeakPolarHBondContact O-CD2 3.49Å; M308-F310 VanDerWaalsContact O-CE2 3.28Å; M308-F310 WeakPolarHBondContact O-CE2 3.47Å; F310-T314 HydrophobicContact CB-CG2 3.9Å; F310-T314 HydrophobicContact CD1-CG2 4.32Å; F310-Y340 WeakPolarHBondContact CA-OH 3.48Å; F310-Y340 PolarHBondContact N-OH 2.99Å; F310-Y340 WeakPolarHBondContact O-CE1 3.19Å; F310-Y340 PolarHBondContact O-OH 3.03Å; F310-C363 HydrophobicContact CE1-CB 4.27Å; F310-C363 WeakPolarHBondContact CE1-SG 3.28Å; F310-C363 HydrophobicContact CE2-CB 4.04Å; F310-C363 HydrophobicContact CZ-CB 3.82Å; F310-C363 WeakPolarHBondContact CZ-SG 3.24Å; F310-Q371 WeakPolarHBondContact CA-O 3.14Å; F310-F372 HydrophobicContact CD1-CD1 4.19Å; F310-F372 HydrophobicContact CD1-CE1 4.11Å; F310-F372 AromaticContact CE1-CD1 3.94Å; F310-F372 HydrophobicContact CE1-CD1 3.94Å; F310-F372 AromaticContact CE1-CE1 3.41Å; F310-F372 HydrophobicContact CE1-CE1 3.41Å; F310-F372 VanDerWaalsContact CE1-CE1 3.41Å; F310-F372 HydrophobicContact CE1-CZ 4.01Å; F310-F372 AromaticContact CZ-CE1 3.95Å; F310-F372 HydrophobicContact CZ-CE1 3.95Å; F310-V373 WeakPolarHBondContact O-CG2 3.47Å
311D90.9Very high89.5Confident46 Ų4646.3 Ų46.325%0.24625%0.249CC..  trans-83.7-175.4179.3-147.6-23.9000110.7T314 Q371 V373D311-T314 WeakPolarHBondContact O-CG2 3.44Å; D311-T314 PolarHBondContact O-OG1 2.91Å; D311-Q371 HydrophobicContact CB-CB 3.98Å; D311-Q371 PolarHBondContact N-O 3.2Å; D311-V373 HydrophobicContact CB-CG2 3.97Å
312L90.8Very high89.1Confident70 Ų7053.2 Ų53.237%0.36628%0.275SS..THydrogen-bonded Turntrans-59.7166.7163.8-60.5178.7000111.4T314 V328 V331L312-T314 PolarHBondContact O-N 3.17Å; L312-T314 VanDerWaalsContact O-N 3.1Å; L312-V328 HydrophobicContact CD2-CG1 4.3Å; L312-V331 HydrophobicContact CD2-CG2 3.93Å
313D89Confident88.8Confident96 Ų9654.7 Ų54.751%0.51328%0.276SS..THydrogen-bonded Turntrans5824.9177.9-49.5-19.7000113.5V328D313-V328 PolarHBondContact N-O 2.87Å; D313-V328 VanDerWaalsContact N-O 3.16Å
314T91.3Very high88.7Confident0 Ų054 Ų540%027%0.272CS..PPolyproline II helixtrans-93.4132.6176.548.70000111.8F310 D311 L312 E327 V328 Q371F310-T314 HydrophobicContact CB-CG2 3.9Å; F310-T314 HydrophobicContact CD1-CG2 4.32Å; D311-T314 WeakPolarHBondContact O-CG2 3.44Å; D311-T314 PolarHBondContact O-OG1 2.91Å; L312-T314 PolarHBondContact O-N 3.17Å; L312-T314 VanDerWaalsContact O-N 3.1Å; T314-E327 CarbonylContact O-C 3.54Å; T314-E327 WeakPolarHBondContact O-CA 3.35Å; T314-V328 PolarHBondContact O-N 3.18Å; T314-V328 WeakPolarHBondContact OG1-CB 3.39Å; T314-V328 WeakPolarHBondContact OG1-CG2 3.45Å; T314-Q371 HydrophobicContact CG2-CB 3.97Å; T314-Q371 WeakPolarHBondContact CG2-O 3.4Å
315V91.8Very high88.7Confident6 Ų650.8 Ų50.84%0.03626%0.255CS..EExtended strand (participates in β ladder)trans-88.7122-178.9-1760000110.9L276 F317 V324 H369L276-V315 HydrophobicContact CD1-CG2 4.19Å; V315-F317 HydrophobicContact CB-CE2 4.19Å; V315-F317 HydrophobicContact CB-CZ 4.19Å; V315-F317 HydrophobicContact CG1-CE1 4.1Å; V315-F317 HydrophobicContact CG1-CE2 3.9Å; V315-F317 HydrophobicContact CG1-CZ 3.6Å; V315-F317 WeakPolarHBondContact O-CD2 3.17Å; V315-F317 WeakPolarHBondContact O-CE2 3.26Å; V315-V324 HydrophobicContact CG1-CG1 3.79Å; V315-H369 HydrophobicContact CB-CB 3.98Å; V315-H369 HydrophobicContact CG2-CB 3.86Å; V315-H369 PolarHBondContact N-O 3.08Å
316L92.4Very high89Confident0 Ų047 Ų470%023%0.232CC..EExtended strand (participates in β ladder)trans-100.4149.2176.7-58-172.4000111.5L288 V301 L325 G326 V328 V342 V361 C363L288-L316 HydrophobicContact CD2-CD1 4.02Å; L288-L316 HydrophobicContact CD2-CD2 3.48Å; L288-L316 VanDerWaalsContact CD2-CD2 3.48Å; L288-L316 HydrophobicContact CD2-CG 4.39Å; V301-L316 HydrophobicContact CG2-CD1 4.5Å; L316-L325 HydrophobicContact CB-CB 4.13Å; L316-L325 HydrophobicContact CB-CD2 4.09Å; L316-L325 HydrophobicContact CD1-CD2 4.38Å; L316-L325 WeakPolarHBondContact O-CA 3.5Å; L316-L325 WeakPolarHBondContact O-CB 3.07Å; L316-L325 PolarHBondContact O-N 2.83Å; L316-G326 PolarHBondContact N-O 3.18Å; L316-G326 PolarHBondContact O-N 3.3Å; L316-V328 HydrophobicContact CD1-CG2 3.77Å; L316-V328 HydrophobicContact CD2-CG2 4.38Å; L316-V328 HydrophobicContact CG-CG2 3.9Å; L316-V342 HydrophobicContact CD1-CG2 3.99Å; L316-V361 HydrophobicContact CB-CG1 3.96Å; L316-V361 HydrophobicContact CD1-CG1 4.18Å; L316-C363 HydrophobicContact CD2-CB 4.35Å
317F92.7Very high89.5Confident0 Ų042.5 Ų42.50%021%0.205CC..EExtended strand (participates in β ladder)trans-127.6157.6-172.7-59.3-91000112.6I278 V280 V315 K323 V324 V361 Y362 A364I278-F317 HydrophobicContact CB-CE1 4.33Å; I278-F317 HydrophobicContact CG2-CE1 4.22Å; I278-F317 HydrophobicContact CG2-CZ 4.37Å; V280-F317 HydrophobicContact CB-CE1 4.42Å; V280-F317 HydrophobicContact CG2-CD1 4.37Å; V280-F317 HydrophobicContact CG2-CE1 3.63Å; V280-F317 HydrophobicContact CG2-CE2 4.07Å; V280-F317 HydrophobicContact CG2-CZ 3.46Å; V280-F317 VanDerWaalsContact CG2-CZ 3.46Å; V315-F317 HydrophobicContact CB-CE2 4.19Å; V315-F317 HydrophobicContact CB-CZ 4.19Å; V315-F317 HydrophobicContact CG1-CE1 4.1Å; V315-F317 HydrophobicContact CG1-CE2 3.9Å; V315-F317 HydrophobicContact CG1-CZ 3.6Å; V315-F317 WeakPolarHBondContact O-CD2 3.17Å; V315-F317 WeakPolarHBondContact O-CE2 3.26Å; F317-K323 CarbonylContact C-O 3.6Å; F317-K323 VanDerWaalsContact CA-O 3.29Å; F317-K323 WeakPolarHBondContact CA-O 3.16Å; F317-V324 HydrophobicContact CD1-CG2 4.3Å; F317-V324 HydrophobicContact CE1-CG2 4.05Å; F317-V361 WeakPolarHBondContact O-CA 3.24Å; F317-Y362 PolarHBondContact N-O 2.92Å; F317-Y362 PolarHBondContact O-N 3.28Å; F317-A364 HydrophobicContact CD2-CB 4.08Å; F317-A364 HydrophobicContact CE2-CB 3.61Å; F317-A364 HydrophobicContact CZ-CB 4.38Å
318L91.9Very high90Very high8 Ų841 Ų414%0.04220%0.195CC..EExtended strand (participates in β ladder)trans-116.2165170.2-67.2172.2000109.8K320 G321 K323 L325 I355 D359 V360 V361L318-K320 PolarHBondContact O-N 3.08Å; L318-G321 PolarHBondContact O-N 2.84Å; L318-K323 HydrophobicContact CB-CB 4.31Å; L318-K323 PolarHBondContact N-O 2.96Å; L318-K323 PolarHBondContact O-N 3.33Å; L318-L325 HydrophobicContact CD1-CD1 3.96Å; L318-L325 HydrophobicContact CD2-CD1 4.47Å; L318-L325 HydrophobicContact CG-CB 4.25Å; L318-L325 HydrophobicContact CG-CD1 4.24Å; L318-I355 HydrophobicContact CD1-CG1 3.95Å; L318-D359 HydrophobicContact CD2-CB 4.31Å; L318-V360 WeakPolarHBondContact CD2-O 3.31Å; L318-V361 HydrophobicContact CD2-CG2 4.07Å
319E89.8Confident90.3Very high105 Ų10540.7 Ų40.749%0.49119%0.192SC..THydrogen-bonded Turntrans54.728.4173.8-60.1-177.8-147.800114.4R322E319-R322 HydrophobicContact CB-CB 4.28Å; E319-R322 PolarHBondContact O-NE 2.87Å; E319-R322 PolarHBondContact O-NH2 2.74Å
320K87.4Confident90.5Very high85 Ų8541.2 Ų41.237%0.3720%0.195SC..THydrogen-bonded Turntrans58.266.2-169.8-53.7167166.9-1770113.4E282 C285 L318 R322 Y362E282-K320 HydrophobicContact CB-CB 4.27Å; E282-K320 HydrophobicContact CB-CD 4.18Å; E282-K320 HydrophobicContact CG-CB 3.89Å; E282-K320 HydrophobicContact CG-CD 3.97Å; E282-K320 WeakPolarHBondContact OE2-CD 3.13Å; E282-K320 WeakPolarHBondContact OE2-CE 3.08Å; E282-K320 IonicContact OE2-NZ 2.66Å; E282-K320 PolarHBondContact OE2-NZ 3.31Å; C285-K320 HydrophobicContact CB-CB 4.21Å; L318-K320 PolarHBondContact O-N 3.08Å; K320-R322 PolarHBondContact O-N 2.8Å; K320-R322 VanDerWaalsContact O-N 3.08Å; K320-Y362 HydrophobicContact CG-CD1 4.23Å; K320-Y362 HydrophobicContact CG-CD2 4.42Å; K320-Y362 HydrophobicContact CG-CE1 3.85Å; K320-Y362 HydrophobicContact CG-CE2 4.02Å
321G83.9Confident90.7Very high0 Ų043.6 Ų43.60%021%0.209CC..THydrogen-bonded Turntrans79.7-12.7171.100000115.7T279 V280 C285 L318 K323T279-G321 WeakPolarHBondContact CA-O 3.37Å; V280-G321 PolarHBondContact N-O 3.21Å; V280-G321 CarbonylContact O-C 3.58Å; V280-G321 WeakPolarHBondContact O-CA 3.18Å; C285-G321 WeakPolarHBondContact SG-CA 3.46Å; C285-G321 PolarHBondContact SG-N 3.1Å; C285-G321 VanDerWaalsContact SG-N 3.43Å; L318-G321 PolarHBondContact O-N 2.84Å; G321-K323 PolarHBondContact O-N 2.81Å
322R85.8Confident90.7Very high144 Ų14445.3 Ų45.354%0.54322%0.218SC..THydrogen-bonded Turntrans-67.8-14.8176.3-75.8179.5-72.4169-5.6114.5E282 E319 K320E282-R322 IonicContact OE1-CZ 3.71Å; E282-R322 IonicContact OE1-NE 3.56Å; E282-R322 IonicContact OE1-NH2 3.64Å; E319-R322 HydrophobicContact CB-CB 4.28Å; E319-R322 PolarHBondContact O-NE 2.87Å; E319-R322 PolarHBondContact O-NH2 2.74Å; K320-R322 PolarHBondContact O-N 2.8Å; K320-R322 VanDerWaalsContact O-N 3.08Å
323K88.8Confident90.8Very high70 Ų7045.3 Ų45.330%0.30424%0.235SC..EExtended strand (participates in β ladder)trans-148.2134.9-178.2-170.8175.5-153.1166.90111.3F317 L318 G321 R353F317-K323 CarbonylContact C-O 3.6Å; F317-K323 VanDerWaalsContact CA-O 3.29Å; F317-K323 WeakPolarHBondContact CA-O 3.16Å; L318-K323 HydrophobicContact CB-CB 4.31Å; L318-K323 PolarHBondContact N-O 2.96Å; L318-K323 PolarHBondContact O-N 3.33Å; G321-K323 PolarHBondContact O-N 2.81Å; K323-R353 WeakPolarHBondContact CE-O 3.47Å; K323-R353 PolarHBondContact NZ-O 2.78Å
324V90.8Very high90.8Very high7 Ų747.3 Ų47.34%0.04224%0.241CC..EExtended strand (participates in β ladder)trans-76.4129.7171.8-174.80000110.5L276 I278 V315 F317 R353L276-V324 HydrophobicContact CB-CG1 4Å; L276-V324 HydrophobicContact CB-CG2 4.39Å; L276-V324 WeakPolarHBondContact O-CB 3.5Å; I278-V324 HydrophobicContact CB-CG2 3.9Å; I278-V324 VanDerWaalsContact N-CG2 3.28Å; I278-V324 WeakPolarHBondContact O-CG2 3.41Å; V315-V324 HydrophobicContact CG1-CG1 3.79Å; F317-V324 HydrophobicContact CD1-CG2 4.3Å; F317-V324 HydrophobicContact CE1-CG2 4.05Å; V324-R353 PolarHBondContact O-NH1 2.91Å
325L90.4Very high90.5Very high0 Ų052.8 Ų52.80%028%0.275CS..EExtended strand (participates in β ladder)trans-76-57.7162.5-17767.4000108.9V299 V301 L316 L318 V342 F344 R353 I355 V361V299-L325 HydrophobicContact CG1-CD1 4.48Å; V301-L325 HydrophobicContact CG2-CD2 3.73Å; L316-L325 HydrophobicContact CB-CB 4.13Å; L316-L325 HydrophobicContact CB-CD2 4.09Å; L316-L325 HydrophobicContact CD1-CD2 4.38Å; L316-L325 WeakPolarHBondContact O-CA 3.5Å; L316-L325 WeakPolarHBondContact O-CB 3.07Å; L316-L325 PolarHBondContact O-N 2.83Å; L318-L325 HydrophobicContact CD1-CD1 3.96Å; L318-L325 HydrophobicContact CD2-CD1 4.47Å; L318-L325 HydrophobicContact CG-CB 4.25Å; L318-L325 HydrophobicContact CG-CD1 4.24Å; L325-V342 HydrophobicContact CD2-CG2 4.05Å; L325-V342 HydrophobicContact CG-CG1 4.44Å; L325-V342 HydrophobicContact CG-CG2 4.36Å; L325-F344 HydrophobicContact CD1-CZ 4.4Å; L325-F344 WeakPolarHBondContact O-CE1 3.48Å; L325-F344 WeakPolarHBondContact O-CZ 3.16Å; L325-R353 PolarHBondContact O-NH1 2.83Å; L325-I355 HydrophobicContact CD1-CD1 3.69Å; L325-I355 HydrophobicContact CD1-CG1 4.18Å; L325-I355 HydrophobicContact CD1-CG2 3.99Å; L325-V361 HydrophobicContact CD2-CG1 3.91Å; L325-V361 HydrophobicContact CD2-CG2 4.02Å
326G91.4Very high90.3Very high7 Ų756.1 Ų56.17%0.07230%0.298CS..EExtended strand (participates in β ladder)trans157-171175.800000111.4L316L316-G326 PolarHBondContact N-O 3.18Å; L316-G326 PolarHBondContact O-N 3.3Å
327E92.2Very high90.2Very high76 Ų7660.2 Ų60.236%0.35532%0.32SS..EExtended strand (participates in β ladder)trans-88.8140.7178.5-172.3167.3-139.800110.4T314 F329T314-E327 CarbonylContact O-C 3.54Å; T314-E327 WeakPolarHBondContact O-CA 3.35Å; E327-F329 PolarHBondContact O-N 3Å
328V93.4Very high90.2Very high0 Ų060.7 Ų60.70%032%0.323CS..EExtended strand (participates in β ladder)trans-69.8112.5173.91730000109.4L312 D313 T314 L316 V331 Y340L312-V328 HydrophobicContact CD2-CG1 4.3Å; D313-V328 PolarHBondContact N-O 2.87Å; D313-V328 VanDerWaalsContact N-O 3.16Å; T314-V328 PolarHBondContact O-N 3.18Å; T314-V328 WeakPolarHBondContact OG1-CB 3.39Å; T314-V328 WeakPolarHBondContact OG1-CG2 3.45Å; L316-V328 HydrophobicContact CD1-CG2 3.77Å; L316-V328 HydrophobicContact CD2-CG2 4.38Å; L316-V328 HydrophobicContact CG-CG2 3.9Å; V328-V331 HydrophobicContact CG1-CG2 4.05Å; V328-Y340 HydrophobicContact CB-CD1 4.49Å; V328-Y340 HydrophobicContact CG1-CD1 3.6Å; V328-Y340 HydrophobicContact CG1-CE1 4.26Å; V328-Y340 HydrophobicContact CG1-CG 4.44Å; V328-Y340 HydrophobicContact CG2-CD1 4.01Å; V328-Y340 HydrophobicContact CG2-CG 4.21Å
329F93.6Very high90.3Very high73 Ų7361.8 Ų61.832%0.3233%0.329SS..EExtended strand (participates in β ladder)trans-89.6-32.1-179.7169.1-101.6000112.8L267 L270 L298 E327 C341 R343L267-F329 HydrophobicContact CD2-CE1 3.83Å; L267-F329 HydrophobicContact CD2-CZ 4.08Å; L270-F329 HydrophobicContact CD1-CE2 3.69Å; L270-F329 HydrophobicContact CD1-CZ 3.5Å; L270-F329 VanDerWaalsContact CD1-CZ 3.5Å; L298-F329 HydrophobicContact CD2-CD1 4.37Å; E327-F329 PolarHBondContact O-N 3Å; F329-C341 PolarHBondContact N-O 2.72Å; F329-R343 HydrophobicContact CB-CB 3.79Å; F329-R343 HydrophobicContact CD1-CB 4.07Å; F329-R343 HydrophobicContact CD2-CB 4.26Å; F329-R343 HydrophobicContact CG-CB 3.75Å
330D92.9Very high90.6Very high69 Ų6956.9 Ų56.937%0.36931%0.306SS..EExtended strand (participates in β ladder)trans-156158-179.4-167.510.8000111.1C341D330-C341 HydrophobicContact CB-CB 3.97Å; D330-C341 PolarHBondContact N-O 2.74Å; D330-C341 WeakPolarHBondContact O-CB 3.37Å; D330-C341 PolarHBondContact O-N 3.46Å
331V92.8Very high90.9Very high54 Ų5452.9 Ų52.933%0.32729%0.288SS..EExtended strand (participates in β ladder)trans-128.4109.9-179.2-165.20000110.1L312 V328 P338 Y340L312-V331 HydrophobicContact CD2-CG2 3.93Å; V328-V331 HydrophobicContact CG1-CG2 4.05Å; V331-P338 HydrophobicContact CG1-CB 3.97Å; V331-Y340 HydrophobicContact CB-CD1 4.34Å; V331-Y340 HydrophobicContact CB-CE1 4.28Å; V331-Y340 HydrophobicContact CG1-CD1 3.91Å; V331-Y340 HydrophobicContact CG1-CE1 3.63Å; V331-Y340 HydrophobicContact CG2-CD1 3.83Å; V331-Y340 HydrophobicContact CG2-CE1 3.69Å
332L92.6Very high91.4Very high82 Ų8252.9 Ų52.943%0.42929%0.288SS..EExtended strand (participates in β ladder)trans-106.2169.2-179.7-57.4179.4000111.3L339L332-L339 HydrophobicContact CB-CB 4.36Å; L332-L339 PolarHBondContact N-O 2.78Å; L332-L339 PolarHBondContact O-N 3.06Å
333G91.9Very high91.7Very high70 Ų7047 Ų4772%0.72227%0.266SS*.EExtended strand (participates in β ladder)trans96.4-149.3172.400000114.6
334Q89.8Confident91.8Very high138 Ų13843.9 Ų43.965%0.64525%0.253SS*.EExtended strand (participates in β ladder)trans-104.7155.3-179.1-69-175.881.200110.5S336 D337 P338Q334-S336 PolarHBondContact O-N 2.97Å; Q334-S336 VanDerWaalsContact O-N 3.17Å; Q334-D337 PolarHBondContact N-O 2.87Å; Q334-D337 CarbonylContact O-C 3.06Å; Q334-D337 PolarHBondContact O-N 2.86Å; Q334-P338 VanDerWaalsContact O-N 3.11Å
335V85.2Confident91.8Very high115 Ų11546.1 Ų46.170%0.69727%0.265SS*.THydrogen-bonded Turntrans-62.9-23.9179.1-175.10000112.5L309L309-V335 HydrophobicContact CD1-CG1 4.03Å
336S87.1Confident91.7Very high75 Ų7548.3 Ų48.352%0.52428%0.28SS..THydrogen-bonded Turntrans-77.4-32.9171.955.20000113.7Q334Q334-S336 PolarHBondContact O-N 2.97Å; Q334-S336 VanDerWaalsContact O-N 3.17Å
337D90.4Very high91.5Very high87 Ų8751.2 Ų51.247%0.46529%0.294SS..EExtended strand (participates in β ladder)trans-139.971.1-168.9-57.1-84.4000109.2Q334Q334-D337 PolarHBondContact N-O 2.87Å; Q334-D337 CarbonylContact O-C 3.06Å; Q334-D337 PolarHBondContact O-N 2.86Å
338P92.3Very high91.3Very high10 Ų1054.7 Ų54.77%0.06531%0.308CS..EExtended strand (participates in β ladder)trans-73.9153.418030.6-36.3000111.8V303 L309 V331 Q334 Y340V303-P338 HydrophobicContact CB-CG 4.14Å; V303-P338 HydrophobicContact CG1-CG 4.4Å; V303-P338 HydrophobicContact CG2-CG 4Å; V303-P338 WeakPolarHBondContact CG2-O 3.36Å; L309-P338 HydrophobicContact CD2-CG 3.78Å; V331-P338 HydrophobicContact CG1-CB 3.97Å; Q334-P338 VanDerWaalsContact O-N 3.11Å; P338-Y340 HydrophobicContact CG-CE2 4.36Å
339L94.4Very high91.1Very high31 Ų3157.2 Ų57.216%0.16232%0.319CS..EExtended strand (participates in β ladder)trans-121.8101.5177.7-173.371.4000108.5Q292 L300 L332Q292-L339 HydrophobicContact CB-CD1 4.3Å; L300-L339 HydrophobicContact CB-CD1 4.16Å; L300-L339 HydrophobicContact CB-CD2 4.36Å; L300-L339 HydrophobicContact CB-CG 4.27Å; L300-L339 HydrophobicContact CD1-CD2 4.28Å; L300-L339 HydrophobicContact CD2-CD2 4.48Å; L332-L339 HydrophobicContact CB-CB 4.36Å; L332-L339 PolarHBondContact N-O 2.78Å; L332-L339 PolarHBondContact O-N 3.06Å
340Y95Very high90.8Very high2 Ų253.8 Ų53.81%0.00830%0.304CS..EExtended strand (participates in β ladder)trans-77.9132.4-178-70.9-61000111.4L288 L300 V301 V303 F310 V328 V331 P338L288-Y340 HydrophobicContact CD1-CE2 4.28Å; L288-Y340 HydrophobicContact CD2-CD2 4.1Å; L288-Y340 HydrophobicContact CD2-CE2 4.36Å; L300-Y340 WeakPolarHBondContact CA-O 3.25Å; V301-Y340 PolarHBondContact N-O 3.2Å; V301-Y340 PolarHBondContact O-N 3.4Å; V303-Y340 HydrophobicContact CG2-CD2 3.41Å; V303-Y340 VanDerWaalsContact CG2-CD2 3.41Å; V303-Y340 HydrophobicContact CG2-CE2 3.44Å; V303-Y340 VanDerWaalsContact CG2-CE2 3.44Å; F310-Y340 WeakPolarHBondContact CA-OH 3.48Å; F310-Y340 PolarHBondContact N-OH 2.99Å; F310-Y340 WeakPolarHBondContact O-CE1 3.19Å; F310-Y340 PolarHBondContact O-OH 3.03Å; V328-Y340 HydrophobicContact CB-CD1 4.49Å; V328-Y340 HydrophobicContact CG1-CD1 3.6Å; V328-Y340 HydrophobicContact CG1-CE1 4.26Å; V328-Y340 HydrophobicContact CG1-CG 4.44Å; V328-Y340 HydrophobicContact CG2-CD1 4.01Å; V328-Y340 HydrophobicContact CG2-CG 4.21Å; V331-Y340 HydrophobicContact CB-CD1 4.34Å; V331-Y340 HydrophobicContact CB-CE1 4.28Å; V331-Y340 HydrophobicContact CG1-CD1 3.91Å; V331-Y340 HydrophobicContact CG1-CE1 3.63Å; V331-Y340 HydrophobicContact CG2-CD1 3.83Å; V331-Y340 HydrophobicContact CG2-CE1 3.69Å; P338-Y340 HydrophobicContact CG-CE2 4.36Å
341C94.7Very high90.6Very high1 Ų155.9 Ų55.91%0.00732%0.315CS..EExtended strand (participates in β ladder)trans-104.4118.6178.2-56.60000109.8L300 F329 D330L300-C341 HydrophobicContact CD2-CB 4.18Å; L300-C341 WeakPolarHBondContact CD2-SG 3.27Å; F329-C341 PolarHBondContact N-O 2.72Å; D330-C341 HydrophobicContact CB-CB 3.97Å; D330-C341 PolarHBondContact N-O 2.74Å; D330-C341 WeakPolarHBondContact O-CB 3.37Å; D330-C341 PolarHBondContact O-N 3.46Å
342V93.8Very high90.4Very high0 Ų059.8 Ų59.80%033%0.334CS..EExtended strand (participates in β ladder)trans-104.6122173178.90000108.9L298 V299 L316 L325 F344L298-V342 CarbonylContact C-O 3.43Å; L298-V342 WeakPolarHBondContact CA-O 3.11Å; V299-V342 PolarHBondContact N-O 2.78Å; V299-V342 PolarHBondContact O-N 3.45Å; L316-V342 HydrophobicContact CD1-CG2 3.99Å; L325-V342 HydrophobicContact CD2-CG2 4.05Å; L325-V342 HydrophobicContact CG-CG1 4.44Å; L325-V342 HydrophobicContact CG-CG2 4.36Å; V342-F344 HydrophobicContact CB-CE2 4.16Å; V342-F344 HydrophobicContact CG1-CD2 4.41Å; V342-F344 HydrophobicContact CG1-CE2 3.61Å; V342-F344 HydrophobicContact CG1-CZ 3.91Å
343R92.7Very high90.1Very high19 Ų1957.3 Ų57.37%0.07232%0.319CS..EExtended strand (participates in β ladder)trans-92141.6-178.4-179.2178.5168.3-109.3-2.2111.7L267 L270 P271 I273 L298 F329L267-R343 PolarHBondContact O-NE 3.38Å; L267-R343 PolarHBondContact O-NH2 2.99Å; L270-R343 VanDerWaalsContact CB-NH2 3.34Å; L270-R343 PolarHBondContact O-NH2 3.04Å; P271-R343 PolarHBondContact O-NH1 2.8Å; P271-R343 PolarHBondContact O-NH2 2.76Å; I273-R343 HydrophobicContact CD1-CB 3.58Å; I273-R343 HydrophobicContact CD1-CG 3.59Å; I273-R343 WeakPolarHBondContact CD1-O 3.46Å; L298-R343 HydrophobicContact CD2-CB 3.63Å; L298-R343 HydrophobicContact CD2-CG 3.85Å; F329-R343 HydrophobicContact CB-CB 3.79Å; F329-R343 HydrophobicContact CD1-CB 4.07Å; F329-R343 HydrophobicContact CD2-CB 4.26Å; F329-R343 HydrophobicContact CG-CB 3.75Å
344F91.3Very high89.9Confident5 Ų555.6 Ų55.62%0.02230%0.302CS..  trans-124.1163.7174.7-64.6-98.7000110Q297 V299 L325 V342 S346 Q349 I350 I355Q297-F344 PolarHBondContact O-N 2.95Å; V299-F344 HydrophobicContact CB-CE2 3.96Å; V299-F344 HydrophobicContact CG2-CD2 3.96Å; V299-F344 HydrophobicContact CG2-CE2 3.36Å; V299-F344 HydrophobicContact CG2-CZ 4.14Å; L325-F344 HydrophobicContact CD1-CZ 4.4Å; L325-F344 WeakPolarHBondContact O-CE1 3.48Å; L325-F344 WeakPolarHBondContact O-CZ 3.16Å; V342-F344 HydrophobicContact CB-CE2 4.16Å; V342-F344 HydrophobicContact CG1-CD2 4.41Å; V342-F344 HydrophobicContact CG1-CE2 3.61Å; V342-F344 HydrophobicContact CG1-CZ 3.91Å; F344-S346 VanDerWaalsContact C-N 3.31Å; F344-Q349 HydrophobicContact CD1-CB 4.28Å; F344-I350 HydrophobicContact CB-CD1 4.31Å; F344-I350 HydrophobicContact CB-CG1 4Å; F344-I350 HydrophobicContact CD1-CG1 4.03Å; F344-I350 HydrophobicContact CD2-CD1 3.85Å; F344-I350 HydrophobicContact CD2-CG1 3.69Å; F344-I350 HydrophobicContact CE1-CG1 4.45Å; F344-I350 HydrophobicContact CE2-CD1 4.47Å; F344-I350 HydrophobicContact CE2-CG1 4.17Å; F344-I350 HydrophobicContact CG-CD1 4.14Å; F344-I350 HydrophobicContact CG-CG1 3.62Å; F344-I355 HydrophobicContact CE1-CD1 3.98Å; F344-I355 HydrophobicContact CZ-CD1 3.68Å
345N89.9Confident89.9Confident55 Ų5549.3 Ų49.329%0.29427%0.272SS..SBendtrans-81.5-12178.8-59.8-23000113.3P272 I273P272-N345 WeakPolarHBondContact CA-OD1 3.48Å; I273-N345 PolarHBondContact N-OD1 3.41Å; I273-N345 PolarHBondContact O-ND2 3.3Å
346S88.3Confident90.2Very high46 Ų4649.8 Ų49.832%0.32227%0.265SS..  trans-169.1146.7175.9-171.90000110F344 K348 Q349F344-S346 VanDerWaalsContact C-N 3.31Å; S346-K348 PolarHBondContact O-N 3.04Å; S346-K348 PolarHBondContact OG-N 2.77Å; S346-Q349 WeakPolarHBondContact O-CB 3.45Å; S346-Q349 PolarHBondContact O-N 2.83Å
347N88.1Confident90.5Very high67 Ų6751.4 Ų51.436%0.35827%0.267SS..Hα-helixtrans-49.1-32.7168.5-172.2-97.8000113.1D296 Q349 I350 L351D296-N347 VanDerWaalsContact O-CB 3.28Å; D296-N347 WeakPolarHBondContact O-CB 3.13Å; D296-N347 PolarHBondContact O-ND2 2.83Å; N347-Q349 VanDerWaalsContact C-N 3.34Å; N347-Q349 PolarHBondContact O-N 3.23Å; N347-I350 WeakPolarHBondContact O-CB 3.15Å; N347-I350 PolarHBondContact O-N 3.16Å; N347-I350 VanDerWaalsContact O-N 3.09Å; N347-L351 PolarHBondContact O-N 2.86Å
348K88.2Confident90.6Very high150 Ų15049.4 Ų49.465%0.65227%0.266SS*.Hα-helixtrans-58-42.7176.9-67.4-176.8179.6178.90112.8S346 I350 L351 D352S346-K348 PolarHBondContact O-N 3.04Å; S346-K348 PolarHBondContact OG-N 2.77Å; K348-I350 PolarHBondContact O-N 3.02Å; K348-L351 CarbonylContact O-C 3.6Å; K348-L351 PolarHBondContact O-N 2.92Å; K348-L351 VanDerWaalsContact O-N 3.08Å; K348-D352 WeakPolarHBondContact O-CB 3.27Å; K348-D352 PolarHBondContact O-N 3.39Å; K348-D352 VanDerWaalsContact O-OD2 3.09Å
349Q87.6Confident90.6Very high52 Ų5251 Ų5124%0.24328%0.275CS..Hα-helixtrans-60.7-30.9178.4-67.1-175.9-41.600112.3F344 S346 N347 R353F344-Q349 HydrophobicContact CD1-CB 4.28Å; S346-Q349 WeakPolarHBondContact O-CB 3.45Å; S346-Q349 PolarHBondContact O-N 2.83Å; N347-Q349 VanDerWaalsContact C-N 3.34Å; N347-Q349 PolarHBondContact O-N 3.23Å; Q349-R353 VanDerWaalsContact O-CB 3.27Å; Q349-R353 WeakPolarHBondContact O-CB 3.38Å; Q349-R353 VanDerWaalsContact O-CG 3.25Å; Q349-R353 WeakPolarHBondContact O-CG 3.19Å; Q349-R353 PolarHBondContact O-N 2.8Å
350I88.7Confident90.6Very high1 Ų151.7 Ų51.71%0.00528%0.28CS..Hα-helixtrans-69.1-43.3178.2-52.1174.9000109.9I294 V299 F344 N347 K348 G354 I355I294-I350 HydrophobicContact CD1-CG2 3.95Å; I294-I350 HydrophobicContact CG2-CD1 3.84Å; I294-I350 HydrophobicContact CG2-CG2 4.13Å; V299-I350 HydrophobicContact CG2-CD1 3.85Å; V299-I350 HydrophobicContact CG2-CG1 4.21Å; V299-I350 HydrophobicContact CG2-CG2 3.8Å; F344-I350 HydrophobicContact CB-CD1 4.31Å; F344-I350 HydrophobicContact CB-CG1 4Å; F344-I350 HydrophobicContact CD1-CG1 4.03Å; F344-I350 HydrophobicContact CD2-CD1 3.85Å; F344-I350 HydrophobicContact CD2-CG1 3.69Å; F344-I350 HydrophobicContact CE1-CG1 4.45Å; F344-I350 HydrophobicContact CE2-CD1 4.47Å; F344-I350 HydrophobicContact CE2-CG1 4.17Å; F344-I350 HydrophobicContact CG-CD1 4.14Å; F344-I350 HydrophobicContact CG-CG1 3.62Å; N347-I350 WeakPolarHBondContact O-CB 3.15Å; N347-I350 PolarHBondContact O-N 3.16Å; N347-I350 VanDerWaalsContact O-N 3.09Å; K348-I350 PolarHBondContact O-N 3.02Å; I350-G354 PolarHBondContact O-N 3.19Å; I350-G354 VanDerWaalsContact O-N 3.15Å; I350-I355 HydrophobicContact CG2-CB 3.87Å; I350-I355 HydrophobicContact CG2-CD1 4.04Å; I350-I355 HydrophobicContact CG2-CG1 4.47Å; I350-I355 HydrophobicContact CG2-CG2 4.37Å; I350-I355 PolarHBondContact O-N 2.77Å; I350-I355 VanDerWaalsContact O-N 3.08Å
351L88.8Confident90.6Very high114 Ų11451.6 Ų51.660%0.59728%0.279SS*.Hα-helixtrans-70.2-41.2176.2-61174.4000112.6N347 K348 R353 G354N347-L351 PolarHBondContact O-N 2.86Å; K348-L351 CarbonylContact O-C 3.6Å; K348-L351 PolarHBondContact O-N 2.92Å; K348-L351 VanDerWaalsContact O-N 3.08Å; L351-R353 VanDerWaalsContact C-N 3.34Å; L351-G354 VanDerWaalsContact O-CA 3.29Å; L351-G354 WeakPolarHBondContact O-CA 3.1Å; L351-G354 PolarHBondContact O-N 2.92Å
352D88.1Confident90.5Very high136 Ų13653.4 Ų53.473%0.72729%0.286SS*.Hα-helixtrans-66.8-36.1177.3-63.5-34.6000111.1K348 G354K348-D352 WeakPolarHBondContact O-CB 3.27Å; K348-D352 PolarHBondContact O-N 3.39Å; K348-D352 VanDerWaalsContact O-OD2 3.09Å; D352-G354 PolarHBondContact O-N 2.84Å
353R85.4Confident90.3Very high29 Ų2953.4 Ų53.411%0.10929%0.287CS..THydrogen-bonded Turntrans-73.8-6.8167.4-70.6-175.4-172-167.924.2113Q275 K323 V324 L325 Q349 L351 I355Q275-R353 VanDerWaalsContact OE1-CZ 3.29Å; K323-R353 WeakPolarHBondContact CE-O 3.47Å; K323-R353 PolarHBondContact NZ-O 2.78Å; V324-R353 PolarHBondContact O-NH1 2.91Å; L325-R353 PolarHBondContact O-NH1 2.83Å; Q349-R353 VanDerWaalsContact O-CB 3.27Å; Q349-R353 WeakPolarHBondContact O-CB 3.38Å; Q349-R353 VanDerWaalsContact O-CG 3.25Å; Q349-R353 WeakPolarHBondContact O-CG 3.19Å; Q349-R353 PolarHBondContact O-N 2.8Å; L351-R353 VanDerWaalsContact C-N 3.34Å; R353-I355 VanDerWaalsContact C-N 3.28Å; R353-I355 HydrophobicContact CB-CD1 3.86Å; R353-I355 HydrophobicContact CB-CG1 3.88Å; R353-I355 PolarHBondContact O-N 2.82Å
354G87.6Confident90.2Very high35 Ų3552.5 Ų52.536%0.36128%0.283SS..THydrogen-bonded Turntrans67.922.3175.200000115I350 L351 D352 K356I350-G354 PolarHBondContact O-N 3.19Å; I350-G354 VanDerWaalsContact O-N 3.15Å; L351-G354 VanDerWaalsContact O-CA 3.29Å; L351-G354 WeakPolarHBondContact O-CA 3.1Å; L351-G354 PolarHBondContact O-N 2.92Å; D352-G354 PolarHBondContact O-N 2.84Å; G354-K356 WeakPolarHBondContact O-CE 3.41Å; G354-K356 PolarHBondContact O-NZ 3.25Å
355I90.1Very high89.9Confident5 Ų553.3 Ų53.33%0.02629%0.289CS..  trans-71.7128.7-177-55.5164.1000109V291 V299 L318 L325 F344 I350 R353V291-I355 HydrophobicContact CG2-CG2 4.19Å; V299-I355 HydrophobicContact CG1-CG2 4.43Å; L318-I355 HydrophobicContact CD1-CG1 3.95Å; L325-I355 HydrophobicContact CD1-CD1 3.69Å; L325-I355 HydrophobicContact CD1-CG1 4.18Å; L325-I355 HydrophobicContact CD1-CG2 3.99Å; F344-I355 HydrophobicContact CE1-CD1 3.98Å; F344-I355 HydrophobicContact CZ-CD1 3.68Å; I350-I355 HydrophobicContact CG2-CB 3.87Å; I350-I355 HydrophobicContact CG2-CD1 4.04Å; I350-I355 HydrophobicContact CG2-CG1 4.47Å; I350-I355 HydrophobicContact CG2-CG2 4.37Å; I350-I355 PolarHBondContact O-N 2.77Å; I350-I355 VanDerWaalsContact O-N 3.08Å; R353-I355 VanDerWaalsContact C-N 3.28Å; R353-I355 HydrophobicContact CB-CD1 3.86Å; R353-I355 HydrophobicContact CB-CG1 3.88Å; R353-I355 PolarHBondContact O-N 2.82Å
356K91.6Very high89.4Confident125 Ų12556.7 Ų56.754%0.54330%0.301SS..  trans-124.2156.6178.9-63.9142.9-58-156.50111.9V291 G354 G358 D359V291-K356 WeakPolarHBondContact CB-O 3.44Å; G354-K356 WeakPolarHBondContact O-CE 3.41Å; G354-K356 PolarHBondContact O-NZ 3.25Å; K356-G358 PolarHBondContact O-N 3.17Å; K356-D359 WeakPolarHBondContact CE-OD1 3.46Å; K356-D359 VanDerWaalsContact CE-OD2 3.23Å; K356-D359 WeakPolarHBondContact CE-OD2 3.37Å; K356-D359 PolarHBondContact N-OD2 2.93Å; K356-D359 WeakPolarHBondContact O-CB 3.27Å; K356-D359 PolarHBondContact O-N 2.87Å
357I93.5Very high89Confident109 Ų10955.9 Ų55.956%0.55929%0.294SS*.THydrogen-bonded Turntrans-61.6130.2169.1-60.7170.9000108.8Q292 I294Q292-I357 WeakPolarHBondContact O-CG2 3.39Å; I294-I357 HydrophobicContact CD1-CG1 4.32Å; I294-I357 HydrophobicContact CG1-CG1 4.12Å
358G92.4Very high88.7Confident45 Ų4561.8 Ų61.846%0.46432%0.32SS..THydrogen-bonded Turntrans93.2-9.4-175.200000115.5V291 K356V291-G358 PolarHBondContact O-N 2.82Å; K356-G358 PolarHBondContact O-N 3.17Å
359D93.3Very high88.2Confident45 Ų4558.2 Ų58.224%0.24131%0.305CS..  trans-62.6139.8175.4-72.9-18.3000110.6K290 V291 L318 K356K290-D359 VanDerWaalsContact CA-O 3.31Å; K290-D359 WeakPolarHBondContact CA-O 3.48Å; V291-D359 HydrophobicContact CG2-CB 4.35Å; V291-D359 PolarHBondContact N-O 3.15Å; L318-D359 HydrophobicContact CD2-CB 4.31Å; K356-D359 WeakPolarHBondContact CE-OD1 3.46Å; K356-D359 VanDerWaalsContact CE-OD2 3.23Å; K356-D359 WeakPolarHBondContact CE-OD2 3.37Å; K356-D359 PolarHBondContact N-OD2 2.93Å; K356-D359 WeakPolarHBondContact O-CB 3.27Å; K356-D359 PolarHBondContact O-N 2.87Å
360V93.9Very high88.1Confident44 Ų4456.3 Ų56.327%0.26730%0.297SS..EExtended strand (participates in β ladder)trans-82128-177.7-174.50000110.6E287 K290 L318 Y362E287-V360 HydrophobicContact CG-CG1 3.62Å; K290-V360 HydrophobicContact CG-CG2 4.37Å; L318-V360 WeakPolarHBondContact CD2-O 3.31Å; V360-Y362 HydrophobicContact CB-CE2 4.06Å; V360-Y362 HydrophobicContact CG1-CD2 4.49Å; V360-Y362 HydrophobicContact CG1-CE1 4.35Å; V360-Y362 HydrophobicContact CG1-CE2 3.74Å
361V94.3Very high88Confident0 Ų060.6 Ų60.60%032%0.317CS..EExtended strand (participates in β ladder)trans-104.8136.1-177.5-175.70000109.8L288 G289 V291 V301 L316 F317 L318 L325L288-V361 HydrophobicContact CD2-CG1 4.48Å; L288-V361 PolarHBondContact N-O 3.1Å; G289-V361 PolarHBondContact N-O 3Å; G289-V361 PolarHBondContact O-N 2.79Å; V291-V361 HydrophobicContact CG2-CG2 3.85Å; V301-V361 HydrophobicContact CG1-CB 3.86Å; V301-V361 HydrophobicContact CG1-CG1 4.08Å; V301-V361 HydrophobicContact CG1-CG2 3.76Å; V301-V361 HydrophobicContact CG2-CG2 4.02Å; L316-V361 HydrophobicContact CB-CG1 3.96Å; L316-V361 HydrophobicContact CD1-CG1 4.18Å; F317-V361 WeakPolarHBondContact O-CA 3.24Å; L318-V361 HydrophobicContact CD2-CG2 4.07Å; L325-V361 HydrophobicContact CD2-CG1 3.91Å; L325-V361 HydrophobicContact CD2-CG2 4.02Å
362Y92.7Very high88Confident39 Ų3959.2 Ų59.215%0.15331%0.306CS..EExtended strand (participates in β ladder)trans-117150.8-179-62.5-89.4000110.3C285 V286 E287 F317 K320 V360C285-Y362 HydrophobicContact CB-CD1 4.38Å; V286-Y362 CarbonylContact O-C 3.53Å; V286-Y362 VanDerWaalsContact O-CA 3.24Å; V286-Y362 WeakPolarHBondContact O-CA 3.46Å; E287-Y362 HydrophobicContact CB-CD1 4.16Å; E287-Y362 HydrophobicContact CB-CE1 3.89Å; E287-Y362 HydrophobicContact CG-CE1 4.29Å; F317-Y362 PolarHBondContact N-O 2.92Å; F317-Y362 PolarHBondContact O-N 3.28Å; K320-Y362 HydrophobicContact CG-CD1 4.23Å; K320-Y362 HydrophobicContact CG-CD2 4.42Å; K320-Y362 HydrophobicContact CG-CE1 3.85Å; K320-Y362 HydrophobicContact CG-CE2 4.02Å; V360-Y362 HydrophobicContact CB-CE2 4.06Å; V360-Y362 HydrophobicContact CG1-CD2 4.49Å; V360-Y362 HydrophobicContact CG1-CE1 4.35Å; V360-Y362 HydrophobicContact CG1-CE2 3.74Å
363C90.9Very high87.8Confident1 Ų154.6 Ų54.61%0.00728%0.283CS..EExtended strand (participates in β ladder)trans-120.4157171.9-164.10000109.5C285 V286 L288 F310 L316 P365 T370C285-C363 WeakPolarHBondContact CA-O 3.33Å; V286-C363 PolarHBondContact N-O 3.03Å; V286-C363 PolarHBondContact O-N 3.48Å; L288-C363 HydrophobicContact CB-CB 4.3Å; L288-C363 HydrophobicContact CD2-CB 4.48Å; F310-C363 HydrophobicContact CE1-CB 4.27Å; F310-C363 WeakPolarHBondContact CE1-SG 3.28Å; F310-C363 HydrophobicContact CE2-CB 4.04Å; F310-C363 HydrophobicContact CZ-CB 3.82Å; F310-C363 WeakPolarHBondContact CZ-SG 3.24Å; L316-C363 HydrophobicContact CD2-CB 4.35Å; C363-P365 WeakPolarHBondContact O-CD 3.39Å; C363-T370 WeakPolarHBondContact SG-CG2 3.26Å
364A89.8Confident87.9Confident0 Ų057.9 Ų57.90%030%0.302CS..  trans-115.464-173.300000112.3V280 F317 K366 T367 T370V280-A364 HydrophobicContact CB-CB 4.4Å; V280-A364 HydrophobicContact CG1-CB 3.81Å; V280-A364 HydrophobicContact CG2-CB 4.06Å; F317-A364 HydrophobicContact CD2-CB 4.08Å; F317-A364 HydrophobicContact CE2-CB 3.61Å; F317-A364 HydrophobicContact CZ-CB 4.38Å; A364-K366 PolarHBondContact O-N 3.08Å; A364-T367 HydrophobicContact CB-CG2 3.9Å; A364-T367 WeakPolarHBondContact CB-OG1 3.2Å; A364-T367 PolarHBondContact O-N 3.21Å; A364-T367 PolarHBondContact O-OG1 3.31Å; A364-T370 HydrophobicContact CB-CG2 4.37Å; A364-T370 WeakPolarHBondContact O-CG2 3.36Å; A364-T370 PolarHBondContact O-OG1 2.9Å
365P83.9Confident87.7Confident21 Ų2161.3 Ų61.314%0.13631%0.311CS..THydrogen-bonded Turntrans-62.2-2.3-165.125.6-37.8000117V286 M308 C363 T370 F372V286-P365 HydrophobicContact CB-CG 4.17Å; V286-P365 HydrophobicContact CG2-CG 3.6Å; M308-P365 HydrophobicContact CE-CB 3.79Å; M308-P365 HydrophobicContact CE-CG 3.93Å; C363-P365 WeakPolarHBondContact O-CD 3.39Å; P365-T370 WeakPolarHBondContact CA-OG1 3.48Å; P365-F372 HydrophobicContact CB-CE1 4.22Å; P365-F372 HydrophobicContact CB-CZ 3.62Å
366K79.8Confident87.4Confident126 Ų12664.5 Ų64.555%0.54833%0.334SS..THydrogen-bonded Turntrans-99.6-5.5175.2-60.6172.4-175.51670113D283 E284 A364D283-K366 PolarHBondContact O-NZ 3.47Å; E284-K366 HydrophobicContact CB-CD 4.01Å; E284-K366 HydrophobicContact CG-CD 3.76Å; E284-K366 WeakPolarHBondContact OE1-CD 3.47Å; A364-K366 PolarHBondContact O-N 3.08Å
367T81.3Confident87.1Confident29 Ų2964.4 Ų64.418%0.17833%0.334CS..SBendtrans-101.8153.8-172.667.30000111.5V280 A364 H369 T370V280-T367 HydrophobicContact CG1-CG2 4.25Å; V280-T367 HydrophobicContact CG2-CG2 4.34Å; A364-T367 HydrophobicContact CB-CG2 3.9Å; A364-T367 WeakPolarHBondContact CB-OG1 3.2Å; A364-T367 PolarHBondContact O-N 3.21Å; A364-T367 PolarHBondContact O-OG1 3.31Å; T367-H369 PolarHBondContact O-N 3.46Å; T367-T370 PolarHBondContact O-N 3.41Å; T367-T370 PolarHBondContact O-OG1 3.07Å; T367-T370 VanDerWaalsContact O-OG1 3.08Å
368E80.7Confident86.6Confident192 Ų19263.6 Ų63.690%0.89733%0.33SS*.THydrogen-bonded Turntrans-59.6-13.4174.9-63.2171.2-167.400113.3T370E368-T370 VanDerWaalsContact C-N 3.31Å; E368-T370 PolarHBondContact O-N 3.01Å
369H77Confident86.1Confident74 Ų7468.7 Ų68.734%0.34334%0.343SS..THydrogen-bonded Turntrans-87.59.2-179.7-50.8-43.5000114V315 T367V315-H369 HydrophobicContact CB-CB 3.98Å; V315-H369 HydrophobicContact CG2-CB 3.86Å; V315-H369 PolarHBondContact N-O 3.08Å; T367-H369 PolarHBondContact O-N 3.46Å
370T86.4Confident85.5Confident13 Ų1374.2 Ų74.28%0.0837%0.368CS..  trans-129.7115.5178.258.40000112.4C363 A364 P365 T367 E368C363-T370 WeakPolarHBondContact SG-CG2 3.26Å; A364-T370 HydrophobicContact CB-CG2 4.37Å; A364-T370 WeakPolarHBondContact O-CG2 3.36Å; A364-T370 PolarHBondContact O-OG1 2.9Å; P365-T370 WeakPolarHBondContact CA-OG1 3.48Å; T367-T370 PolarHBondContact O-N 3.41Å; T367-T370 PolarHBondContact O-OG1 3.07Å; T367-T370 VanDerWaalsContact O-OG1 3.08Å; E368-T370 VanDerWaalsContact C-N 3.31Å; E368-T370 PolarHBondContact O-N 3.01Å
371Q86.7Confident84.8Confident90 Ų9077.2 Ų77.242%0.42139%0.386SS..  trans-99.6144.9172.3-57.5-171.567.600110.9F310 D311 T314F310-Q371 WeakPolarHBondContact CA-O 3.14Å; D311-Q371 HydrophobicContact CB-CB 3.98Å; D311-Q371 PolarHBondContact N-O 3.2Å; T314-Q371 HydrophobicContact CG2-CB 3.97Å; T314-Q371 WeakPolarHBondContact CG2-O 3.4Å
372F88.1Confident83.6Confident85 Ų8588.5 Ų88.537%0.37343%0.428SS..BIsolated β-bridgetrans-112.4140.2-177.1-65-83.3000112.4M308 F310 P365 I374M308-F372 HydrophobicContact CB-CD1 4.46Å; M308-F372 HydrophobicContact CB-CE1 4.24Å; M308-F372 HydrophobicContact CE-CE1 4.29Å; M308-F372 HydrophobicContact SD-CE1 3.8Å; F310-F372 HydrophobicContact CD1-CD1 4.19Å; F310-F372 HydrophobicContact CD1-CE1 4.11Å; F310-F372 AromaticContact CE1-CD1 3.94Å; F310-F372 HydrophobicContact CE1-CD1 3.94Å; F310-F372 AromaticContact CE1-CE1 3.41Å; F310-F372 HydrophobicContact CE1-CE1 3.41Å; F310-F372 VanDerWaalsContact CE1-CE1 3.41Å; F310-F372 HydrophobicContact CE1-CZ 4.01Å; F310-F372 AromaticContact CZ-CE1 3.95Å; F310-F372 HydrophobicContact CZ-CE1 3.95Å; P365-F372 HydrophobicContact CB-CE1 4.22Å; P365-F372 HydrophobicContact CB-CZ 3.62Å; F372-I374 PolarHBondContact O-N 3.49Å
373V85.3Confident82.3Confident40 Ų4089.6 Ų89.624%0.24245%0.452CS..  trans-75.299175.1179.50000110.2L309 F310 D311 L375 L378L309-V373 HydrophobicContact CB-CB 3.98Å; L309-V373 HydrophobicContact CB-CG2 4.35Å; L309-V373 PolarHBondContact O-N 3.33Å; F310-V373 WeakPolarHBondContact O-CG2 3.47Å; D311-V373 HydrophobicContact CB-CG2 3.97Å; V373-L375 PolarHBondContact O-N 3.28Å; V373-L378 HydrophobicContact CG1-CD1 3.47Å; V373-L378 VanDerWaalsContact CG1-CD1 3.47Å; V373-L378 HydrophobicContact CG1-CG 4.25Å
374I86.4Confident81.2Confident98 Ų9894 Ų9450%0.50348%0.482SS..  trans-83.3100.9172.3-58.4177.7000108.6F372 S376 K377 L378F372-I374 PolarHBondContact O-N 3.49Å; I374-S376 VanDerWaalsContact CG2-OG 3.32Å; I374-S376 WeakPolarHBondContact CG2-OG 3.27Å; I374-S376 PolarHBondContact O-N 2.91Å; I374-S376 VanDerWaalsContact O-N 3.14Å; I374-K377 HydrophobicContact CB-CB 4.16Å; I374-K377 HydrophobicContact CG2-CB 4.24Å; I374-K377 WeakPolarHBondContact O-CA 3.28Å; I374-K377 VanDerWaalsContact O-CB 3.27Å; I374-K377 WeakPolarHBondContact O-CB 3.33Å; I374-K377 PolarHBondContact O-N 3.07Å; I374-L378 PolarHBondContact O-N 3.22Å
375L83Confident80Confident107 Ų107101.6 Ų101.656%0.5652%0.523SS*.Hα-helixtrans-55.3-35.3-175.9-178.561000113.4V373 K377 L378 M379V373-L375 PolarHBondContact O-N 3.28Å; L375-K377 VanDerWaalsContact C-N 3.28Å; L375-K377 PolarHBondContact O-N 3.14Å; L375-L378 PolarHBondContact O-N 3.26Å; L375-M379 HydrophobicContact CD1-CG 4.4Å; L375-M379 HydrophobicContact CG-CG 4.42Å; L375-M379 HydrophobicContact CG-SD 4.24Å; L375-M379 WeakPolarHBondContact O-CG 3.49Å; L375-M379 PolarHBondContact O-N 3.38Å
376S84.3Confident79.1Confident71 Ų71103.3 Ų103.350%0.49754%0.539SS..Hα-helixtrans-67.4-25176.955.70000113.8I374 Q380I374-S376 VanDerWaalsContact CG2-OG 3.32Å; I374-S376 WeakPolarHBondContact CG2-OG 3.27Å; I374-S376 PolarHBondContact O-N 2.91Å; I374-S376 VanDerWaalsContact O-N 3.14Å; S376-Q380 WeakPolarHBondContact O-CG 3.32Å; S376-Q380 PolarHBondContact O-NE2 3.26Å
377K85.3Confident78.4Confident124 Ų124100.9 Ų100.954%0.53954%0.538SS..Hα-helixtrans-72.9-47.7170.6-176.5-172.2174.2-166.30109.8I374 L375 M379 Q380 V381I374-K377 HydrophobicContact CB-CB 4.16Å; I374-K377 HydrophobicContact CG2-CB 4.24Å; I374-K377 WeakPolarHBondContact O-CA 3.28Å; I374-K377 VanDerWaalsContact O-CB 3.27Å; I374-K377 WeakPolarHBondContact O-CB 3.33Å; I374-K377 PolarHBondContact O-N 3.07Å; L375-K377 VanDerWaalsContact C-N 3.28Å; L375-K377 PolarHBondContact O-N 3.14Å; K377-M379 VanDerWaalsContact C-N 3.32Å; K377-M379 PolarHBondContact O-N 2.92Å; K377-Q380 WeakPolarHBondContact O-CB 3.12Å; K377-Q380 PolarHBondContact O-N 3.2Å; K377-V381 PolarHBondContact O-N 3.47Å
378L82.5Confident77.9Confident92 Ų92105 Ų10548%0.48255%0.551SS.*Hα-helixtrans-58.9-40.4175.5-67.7-175000112.5V373 I374 L375 Q380 V381V373-L378 HydrophobicContact CG1-CD1 3.47Å; V373-L378 VanDerWaalsContact CG1-CD1 3.47Å; V373-L378 HydrophobicContact CG1-CG 4.25Å; I374-L378 PolarHBondContact O-N 3.22Å; L375-L378 PolarHBondContact O-N 3.26Å; L378-Q380 PolarHBondContact O-N 2.96Å; L378-V381 PolarHBondContact O-N 2.99Å; L378-V381 VanDerWaalsContact O-N 3.09Å
379M81.9Confident77.3Confident152 Ų152102.3 Ų102.375%0.74954%0.538SS*.THydrogen-bonded Turntrans-65.1-17.9177-71.7179.371.500114.3L375 K377L375-M379 HydrophobicContact CD1-CG 4.4Å; L375-M379 HydrophobicContact CG-CG 4.42Å; L375-M379 HydrophobicContact CG-SD 4.24Å; L375-M379 WeakPolarHBondContact O-CG 3.49Å; L375-M379 PolarHBondContact O-N 3.38Å; K377-M379 VanDerWaalsContact C-N 3.32Å; K377-M379 PolarHBondContact O-N 2.92Å
380Q81.5Confident76.9Confident161 Ų161103.1 Ų103.175%0.75254%0.542SS*.THydrogen-bonded Turntrans-87.2-30.3172.2-66.7168.83400112S376 K377 L378 R382S376-Q380 WeakPolarHBondContact O-CG 3.32Å; S376-Q380 PolarHBondContact O-NE2 3.26Å; K377-Q380 WeakPolarHBondContact O-CB 3.12Å; K377-Q380 PolarHBondContact O-N 3.2Å; L378-Q380 PolarHBondContact O-N 2.96Å; Q380-R382 PolarHBondContact O-N 3.5Å
381V78.3Confident76.1Confident106 Ų106108.4 Ų108.464%0.64257%0.569SS**SBendtrans-77.875.8176-175.30000109.4K377 L378 G383K377-V381 PolarHBondContact O-N 3.47Å; L378-V381 PolarHBondContact O-N 2.99Å; L378-V381 VanDerWaalsContact O-N 3.09Å; V381-G383 PolarHBondContact O-N 2.98Å
382R69.3Low75.2Confident237 Ų237108.1 Ų108.189%0.89457%0.574SS**  trans-73.590.6176.1-173.6177.8-177.9168.6-0.2110.6Q380Q380-R382 PolarHBondContact O-N 3.5Å
383G66.4Low74.5Confident63 Ų63111.3 Ų111.365%0.64959%0.59SS**  trans-60.9156.8166.900000112.4V381V381-G383 PolarHBondContact O-N 2.98Å
384S66.7Low74Confident92 Ų92110.8 Ų110.864%0.64359%0.587SS**  trans-99.3124.3168.2-173.60000108.7A386S384-A386 PolarHBondContact O-N 2.91Å
385D65.6Low73.5Confident161 Ų161108.3 Ų108.386%0.86158%0.577SS**  trans-84.33.4174.961.5-30000112.9S387D385-S387 PolarHBondContact O-N 3.09Å
386A63.8Low72.9Confident57 Ų57107.4 Ų107.447%0.47159%0.585SS.*  trans-78.677.7-178.500000112.7S384S384-A386 PolarHBondContact O-N 2.91Å
387S65.6Low72Confident75 Ų75111 Ų11152%0.52459%0.588SS.*  trans-60.1141.1167.7430000112.3D385 D391D385-S387 PolarHBondContact O-N 3.09Å; S387-D391 VanDerWaalsContact CB-OD1 3.28Å; S387-D391 WeakPolarHBondContact CB-OD1 3.38Å; S387-D391 PolarHBondContact OG-OD1 3.21Å
388W70.4Confident71.2Confident116 Ų116111.1 Ų111.144%0.43959%0.586SS.*  trans-98.6-150.9174-161.844.4000110.3H390 D391 V392 P394 P395 Y398W388-H390 PolarHBondContact O-N 3.2Å; W388-D391 PolarHBondContact O-N 3.37Å; W388-V392 WeakPolarHBondContact CA-O 3.5Å; W388-V392 WeakPolarHBondContact CB-O 3.47Å; W388-V392 PolarHBondContact N-O 3.23Å; W388-P394 HydrophobicContact CB-CB 4.02Å; W388-P394 HydrophobicContact CB-CG 4.5Å; W388-P394 HydrophobicContact CD2-CB 4.13Å; W388-P394 HydrophobicContact CG-CB 3.84Å; W388-P395 VanDerWaalsContact CE3-CD 3.43Å; W388-P395 HydrophobicContact CE3-CG 4.41Å; W388-P395 HydrophobicContact CH2-CG 4.28Å; W388-P395 HydrophobicContact CZ3-CG 3.8Å; W388-Y398 HydrophobicContact CH2-CD2 4.03Å; W388-Y398 HydrophobicContact CH2-CE2 4.15Å; W388-Y398 AromaticContact CZ2-CD2 3.74Å; W388-Y398 HydrophobicContact CZ2-CD2 3.74Å; W388-Y398 HydrophobicContact CZ2-CE2 4.06Å
389E68.5Low70.9Confident134 Ų134109.4 Ų109.463%0.62658%0.579SS**G310 helixtrans-62.1126.6172-170.9172-150.100110.7
390H68.6Low70.2Confident92 Ų92109.8 Ų109.843%0.42658%0.584SS.*G310 helixtrans63.531.8-179.4-51.1-40.8000116.1V261 W388 V392V261-H390 HydrophobicContact CG1-CB 3.86Å; W388-H390 PolarHBondContact O-N 3.2Å; H390-V392 PolarHBondContact O-N 3.07Å; H390-V392 VanDerWaalsContact O-N 3.07Å
391D70.3Confident69.9Low123 Ų123104.3 Ų104.366%0.65856%0.559SS**G310 helixtrans59.918.1178.3-57.4-55.8000115S387 W388S387-D391 VanDerWaalsContact CB-OD1 3.28Å; S387-D391 WeakPolarHBondContact CB-OD1 3.38Å; S387-D391 PolarHBondContact OG-OD1 3.21Å; W388-D391 PolarHBondContact O-N 3.37Å
392V68.5Low69.4Low85 Ų85105.5 Ų105.552%0.51557%0.572SS.*PPolyproline II helixtrans-84.9148.6168.4-174.90000109.2W388 H390W388-V392 WeakPolarHBondContact CA-O 3.5Å; W388-V392 WeakPolarHBondContact CB-O 3.47Å; W388-V392 PolarHBondContact N-O 3.23Å; H390-V392 PolarHBondContact O-N 3.07Å; H390-V392 VanDerWaalsContact O-N 3.07Å
393E73.1Confident69.9Low151 Ų15198.6 Ų98.671%0.70655%0.552SS**PPolyproline II helixtrans-62.8143.3172.3-68.8-171.8157.100112.3P395E393-P395 WeakPolarHBondContact O-CD 3.33Å
394P74.3Confident70.3Confident30 Ų30101.2 Ų101.220%0.19555%0.551CS.*PPolyproline II helixtrans-66126.5173.926.2-31.1000110.1W388 A396 V399W388-P394 HydrophobicContact CB-CB 4.02Å; W388-P394 HydrophobicContact CB-CG 4.5Å; W388-P394 HydrophobicContact CD2-CB 4.13Å; W388-P394 HydrophobicContact CG-CB 3.84Å; P394-A396 PolarHBondContact O-N 3.26Å; P394-V399 HydrophobicContact CG-CG2 4.22Å; P394-V399 WeakPolarHBondContact O-CG2 3.44Å
395P75.2Confident71.1Confident45 Ų45101.2 Ų101.229%0.29254%0.541SS..PPolyproline II helixtrans-57138.9178-2633.5000111.3W388 E393 R397 Y398W388-P395 VanDerWaalsContact CE3-CD 3.43Å; W388-P395 HydrophobicContact CE3-CG 4.41Å; W388-P395 HydrophobicContact CH2-CG 4.28Å; W388-P395 HydrophobicContact CZ3-CG 3.8Å; E393-P395 WeakPolarHBondContact O-CD 3.33Å; P395-R397 PolarHBondContact O-N 3.37Å; P395-Y398 PolarHBondContact O-N 3.41Å
396A70Confident71.8Confident88 Ų8898.6 Ų98.673%0.72752%0.524SS*.THydrogen-bonded Turntrans-53.38.9-174.100000118.7P394P394-A396 PolarHBondContact O-N 3.26Å
397R67.3Low72.7Confident147 Ų14799 Ų9956%0.55552%0.516SS*.THydrogen-bonded Turntrans-95.2-8.8163.868.4-179.1-177.9-84.6-0.9113.8P395P395-R397 PolarHBondContact O-N 3.37Å
398Y68.1Low73.4Confident127 Ų127101 Ų10150%0.49851%0.512SS..SBendtrans-130.69.9-179.7-55.4-49.7000112.4W388 P395 D400W388-Y398 HydrophobicContact CH2-CD2 4.03Å; W388-Y398 HydrophobicContact CH2-CE2 4.15Å; W388-Y398 AromaticContact CZ2-CD2 3.74Å; W388-Y398 HydrophobicContact CZ2-CD2 3.74Å; W388-Y398 HydrophobicContact CZ2-CE2 4.06Å; P395-Y398 PolarHBondContact O-N 3.41Å; Y398-D400 PolarHBondContact O-N 2.81Å
399V75.1Confident74Confident56 Ų56101.9 Ų101.934%0.33952%0.521SS..  trans-75.6112.6165.1174.50000106.4P394 H401P394-V399 HydrophobicContact CG-CG2 4.22Å; P394-V399 WeakPolarHBondContact O-CG2 3.44Å; V399-H401 PolarHBondContact O-CD2 3.38Å; V399-H401 PolarHBondContact O-N 2.64Å
400D68.4Low74.6Confident160 Ų16097.1 Ų97.186%0.85650%0.504SS*.  trans-84.5107.4173.3-77.5-29.7000108.6Y398Y398-D400 PolarHBondContact O-N 2.81Å
401H73.9Confident75.1Confident46 Ų4698.9 Ų98.921%0.21351%0.507CS..  trans-76.1131.4-179.1-64.6-85.3000111V399 D403 E406 E407 A410V399-H401 PolarHBondContact O-CD2 3.38Å; V399-H401 PolarHBondContact O-N 2.64Å; H401-D403 VanDerWaalsContact C-N 3.34Å; H401-E406 HydrophobicContact CB-CB 4.31Å; H401-E406 IonicContact CE1-OE1 3.16Å; H401-E406 IonicContact CE1-OE2 2.75Å; H401-E406 IonicContact CG-OE2 3.44Å; H401-E406 WeakPolarHBondContact ND1-CG 3.43Å; H401-E406 IonicContact ND1-OE1 2.74Å; H401-E406 PolarHBondContact ND1-OE1 3.37Å; H401-E406 IonicContact ND1-OE2 2.72Å; H401-E406 PolarHBondContact ND1-OE2 3.46Å; H401-E407 HydrophobicContact CB-CB 4.05Å; H401-A410 WeakPolarHBondContact NE2-CB 3.18Å
402S69.4Low75.6Confident131 Ų13194.8 Ų94.892%0.91649%0.491SS*.SBendtrans-85.6-7177.8-171.30000113.6
403D79.4Confident76.3Confident92 Ų9294.3 Ų94.349%0.49248%0.483SS..SBendtrans-105.6131.6177.1-171.3-51.4000109.7H401 E405 E406 E407H401-D403 VanDerWaalsContact C-N 3.34Å; D403-E405 VanDerWaalsContact C-N 3.32Å; D403-E405 PolarHBondContact O-N 2.75Å; D403-E405 WeakPolarHBondContact OD1-CB 3.39Å; D403-E405 PolarHBondContact OD1-N 2.91Å; D403-E406 HydrophobicContact CB-CB 4.04Å; D403-E406 PolarHBondContact O-N 3.2Å; D403-E406 PolarHBondContact OD1-N 2.98Å; D403-E407 WeakPolarHBondContact O-CB 3.46Å; D403-E407 PolarHBondContact O-N 3.47Å
404D75.3Confident76.7Confident117 Ų11791.2 Ų91.263%0.62647%0.468SS*.THydrogen-bonded Turntrans-80.5-8.4-174.982.1-89.6000114.5R408D404-R408 WeakPolarHBondContact O-CB 3.26Å; D404-R408 PolarHBondContact O-NE 3.44Å; D404-R408 PolarHBondContact O-NH2 3.29Å; D404-R408 IonicContact OD2-NH2 3.21Å; D404-R408 PolarHBondContact OD2-NH2 2.81Å
405E83.1Confident77.1Confident93 Ų9398.6 Ų98.644%0.43549%0.492SS..THydrogen-bonded Turntrans-84.4-45.5164.7-160.965.3-115.900110.3D403 E407 R408 E409D403-E405 VanDerWaalsContact C-N 3.32Å; D403-E405 PolarHBondContact O-N 2.75Å; D403-E405 WeakPolarHBondContact OD1-CB 3.39Å; D403-E405 PolarHBondContact OD1-N 2.91Å; E405-E407 PolarHBondContact O-N 3.14Å; E405-R408 WeakPolarHBondContact O-CA 3.45Å; E405-R408 WeakPolarHBondContact O-CB 3.44Å; E405-R408 PolarHBondContact O-N 2.7Å; E405-R408 IonicContact OE1-CZ 2.89Å; E405-R408 IonicContact OE1-NE 3.13Å; E405-R408 IonicContact OE1-NH1 3.09Å; E405-R408 PolarHBondContact OE1-NH1 3.24Å; E405-R408 IonicContact OE1-NH2 2.64Å; E405-R408 IonicContact OE2-CZ 3.79Å; E405-R408 IonicContact OE2-NH1 2.65Å; E405-R408 PolarHBondContact OE2-NH1 3.31Å; E405-R408 IonicContact OE2-NH2 2.89Å; E405-R408 PolarHBondContact OE2-NH2 3.16Å; E405-R408 VanDerWaalsContact OE2-NH2 3.09Å; E405-E409 PolarHBondContact O-N 3.34Å
406E80.4Confident77.5Confident105 Ų105101.2 Ų101.249%0.49150%0.499SS..Hα-helixtrans-65.5-40.9-179.7-156.7-170.2-167.300112H401 D403 R408 E409 A410H401-E406 HydrophobicContact CB-CB 4.31Å; H401-E406 IonicContact CE1-OE1 3.16Å; H401-E406 IonicContact CE1-OE2 2.75Å; H401-E406 IonicContact CG-OE2 3.44Å; H401-E406 WeakPolarHBondContact ND1-CG 3.43Å; H401-E406 IonicContact ND1-OE1 2.74Å; H401-E406 PolarHBondContact ND1-OE1 3.37Å; H401-E406 IonicContact ND1-OE2 2.72Å; H401-E406 PolarHBondContact ND1-OE2 3.46Å; D403-E406 HydrophobicContact CB-CB 4.04Å; D403-E406 PolarHBondContact O-N 3.2Å; D403-E406 PolarHBondContact OD1-N 2.98Å; E406-R408 PolarHBondContact O-N 3.46Å; E406-E409 PolarHBondContact O-N 3.39Å; E406-A410 WeakPolarHBondContact O-CB 3.45Å; E406-A410 PolarHBondContact O-N 3.48Å
407E82.1Confident78.1Confident65 Ų65105.1 Ų105.130%0.30450%0.495SS..Hα-helixtrans-57.6-33.4172.4-161.9-141-147.600111.9H401 D403 E405 R411H401-E407 HydrophobicContact CB-CB 4.05Å; D403-E407 WeakPolarHBondContact O-CB 3.46Å; D403-E407 PolarHBondContact O-N 3.47Å; E405-E407 PolarHBondContact O-N 3.14Å; E407-R411 VanDerWaalsContact O-CB 3.25Å; E407-R411 WeakPolarHBondContact O-CB 3.11Å; E407-R411 WeakPolarHBondContact O-CD 3.41Å; E407-R411 WeakPolarHBondContact O-CG 3.25Å; E407-R411 PolarHBondContact O-N 3.06Å; E407-R411 IonicContact OE1-CZ 3.47Å; E407-R411 IonicContact OE1-NE 3.67Å; E407-R411 IonicContact OE1-NH1 3.74Å; E407-R411 PolarHBondContact OE1-NH1 3.47Å; E407-R411 IonicContact OE1-NH2 2.65Å; E407-R411 PolarHBondContact OE1-NH2 3.2Å; E407-R411 IonicContact OE2-CZ 2.7Å; E407-R411 IonicContact OE2-NE 3.68Å; E407-R411 IonicContact OE2-NH1 3.77Å; E407-R411 PolarHBondContact OE2-NH1 2.65Å; E407-R411 IonicContact OE2-NH2 3.31Å
408R80.3Confident78.8Confident117 Ų117105.5 Ų105.544%0.44250%0.496SS..Hα-helixtrans-75.2-42.2-179.4-159-172.7-51156.69.1111.4D404 E405 E406 A412D404-R408 WeakPolarHBondContact O-CB 3.26Å; D404-R408 PolarHBondContact O-NE 3.44Å; D404-R408 PolarHBondContact O-NH2 3.29Å; D404-R408 IonicContact OD2-NH2 3.21Å; D404-R408 PolarHBondContact OD2-NH2 2.81Å; E405-R408 WeakPolarHBondContact O-CA 3.45Å; E405-R408 WeakPolarHBondContact O-CB 3.44Å; E405-R408 PolarHBondContact O-N 2.7Å; E405-R408 IonicContact OE1-CZ 2.89Å; E405-R408 IonicContact OE1-NE 3.13Å; E405-R408 IonicContact OE1-NH1 3.09Å; E405-R408 PolarHBondContact OE1-NH1 3.24Å; E405-R408 IonicContact OE1-NH2 2.64Å; E405-R408 IonicContact OE2-CZ 3.79Å; E405-R408 IonicContact OE2-NH1 2.65Å; E405-R408 PolarHBondContact OE2-NH1 3.31Å; E405-R408 IonicContact OE2-NH2 2.89Å; E405-R408 PolarHBondContact OE2-NH2 3.16Å; E405-R408 VanDerWaalsContact OE2-NH2 3.09Å; E406-R408 PolarHBondContact O-N 3.46Å; R408-A412 VanDerWaalsContact O-CB 3.28Å; R408-A412 WeakPolarHBondContact O-CB 3.32Å; R408-A412 PolarHBondContact O-N 3.04Å
409E82.9Confident79.5Confident136 Ų136105.9 Ų105.964%0.63650%0.503SS*.Hα-helixtrans-65.6-47.5174.6-64.2-138.3136.400111.6E405 E406 R411 A412 E413E405-E409 PolarHBondContact O-N 3.34Å; E406-E409 PolarHBondContact O-N 3.39Å; E409-R411 VanDerWaalsContact C-N 3.34Å; E409-R411 PolarHBondContact O-N 3.48Å; E409-A412 CarbonylContact O-C 3.57Å; E409-A412 WeakPolarHBondContact O-CA 3.28Å; E409-A412 WeakPolarHBondContact O-CB 3.43Å; E409-A412 PolarHBondContact O-N 3.39Å; E409-E413 PolarHBondContact O-N 3Å
410A80.5Confident79.8Confident33 Ų33109.6 Ų109.627%0.27351%0.51SS..Hα-helixtrans-58.1-44.9175.900000111.6H401 E406 A412 E413 Q414H401-A410 WeakPolarHBondContact NE2-CB 3.18Å; E406-A410 WeakPolarHBondContact O-CB 3.45Å; E406-A410 PolarHBondContact O-N 3.48Å; A410-A412 VanDerWaalsContact C-N 3.34Å; A410-A412 PolarHBondContact O-N 2.92Å; A410-E413 PolarHBondContact O-N 2.87Å; A410-Q414 WeakPolarHBondContact O-CB 3.43Å; A410-Q414 PolarHBondContact O-N 2.86Å
411R78.9Confident80.2Confident130 Ų130105.8 Ų105.849%0.49149%0.49SS..Hα-helixtrans-64.9-34172.7-76.9174.4172.1166.88.2112.8E407 E409 R415E407-R411 VanDerWaalsContact O-CB 3.25Å; E407-R411 WeakPolarHBondContact O-CB 3.11Å; E407-R411 WeakPolarHBondContact O-CD 3.41Å; E407-R411 WeakPolarHBondContact O-CG 3.25Å; E407-R411 PolarHBondContact O-N 3.06Å; E407-R411 IonicContact OE1-CZ 3.47Å; E407-R411 IonicContact OE1-NE 3.67Å; E407-R411 IonicContact OE1-NH1 3.74Å; E407-R411 PolarHBondContact OE1-NH1 3.47Å; E407-R411 IonicContact OE1-NH2 2.65Å; E407-R411 PolarHBondContact OE1-NH2 3.2Å; E407-R411 IonicContact OE2-CZ 2.7Å; E407-R411 IonicContact OE2-NE 3.68Å; E407-R411 IonicContact OE2-NH1 3.77Å; E407-R411 PolarHBondContact OE2-NH1 2.65Å; E407-R411 IonicContact OE2-NH2 3.31Å; E409-R411 VanDerWaalsContact C-N 3.34Å; E409-R411 PolarHBondContact O-N 3.48Å; R411-R415 WeakPolarHBondContact O-CB 3.23Å; R411-R415 WeakPolarHBondContact O-CD 3.19Å; R411-R415 WeakPolarHBondContact O-CG 3.49Å; R411-R415 PolarHBondContact O-N 2.84Å
412A81.8Confident80.4Confident37 Ų37112.8 Ų112.831%0.30652%0.515SS..Hα-helixtrans-69.3-45176.600000111.8R408 E409 A410 R415 K416R408-A412 VanDerWaalsContact O-CB 3.28Å; R408-A412 WeakPolarHBondContact O-CB 3.32Å; R408-A412 PolarHBondContact O-N 3.04Å; E409-A412 CarbonylContact O-C 3.57Å; E409-A412 WeakPolarHBondContact O-CA 3.28Å; E409-A412 WeakPolarHBondContact O-CB 3.43Å; E409-A412 PolarHBondContact O-N 3.39Å; A410-A412 VanDerWaalsContact C-N 3.34Å; A410-A412 PolarHBondContact O-N 2.92Å; A412-R415 WeakPolarHBondContact O-CB 3.42Å; A412-R415 PolarHBondContact O-N 3.19Å; A412-K416 WeakPolarHBondContact O-CG 3.35Å; A412-K416 PolarHBondContact O-N 2.66Å
413E83.6Confident80.6Confident75 Ų75110.4 Ų110.435%0.3550%0.495SS..Hα-helixtrans-70.7-36.2177-164.958-143.200111.8E409 A410 R415 K416 R417 R420E409-E413 PolarHBondContact O-N 3Å; A410-E413 PolarHBondContact O-N 2.87Å; E413-R415 VanDerWaalsContact C-N 3.27Å; E413-R415 PolarHBondContact O-N 2.96Å; E413-K416 PolarHBondContact O-N 2.65Å; E413-K416 VanDerWaalsContact O-N 3.16Å; E413-K416 VanDerWaalsContact OE2-CD 3.23Å; E413-K416 WeakPolarHBondContact OE2-CD 3.17Å; E413-K416 WeakPolarHBondContact OE2-CE 3.47Å; E413-K416 IonicContact OE2-NZ 3.83Å; E413-K416 PolarHBondContact OE2-NZ 3.03Å; E413-R417 WeakPolarHBondContact O-CB 3.49Å; E413-R417 PolarHBondContact O-N 2.64Å; E413-R420 IonicContact OE1-CZ 2.66Å; E413-R420 IonicContact OE1-NH1 3.57Å; E413-R420 PolarHBondContact OE1-NH1 3.37Å; E413-R420 IonicContact OE1-NH2 3.6Å; E413-R420 PolarHBondContact OE1-NH2 2.94Å
414Q80.4Confident79.7Confident85 Ų85112.2 Ų112.240%0.39751%0.505SS..Hα-helixtrans-59.9-38.3171-163.5-162.593.700111.6A410 R418A410-Q414 WeakPolarHBondContact O-CB 3.43Å; A410-Q414 PolarHBondContact O-N 2.86Å; Q414-R418 VanDerWaalsContact O-CG 3.26Å; Q414-R418 WeakPolarHBondContact O-CG 3.43Å; Q414-R418 PolarHBondContact O-N 3.29Å; Q414-R418 VanDerWaalsContact O-N 3.14Å
415R82.3Confident78.9Confident186 Ų186111.2 Ų111.270%0.70251%0.507SS*.Hα-helixtrans-67.1-44.4172.4-73.3167.8-176.7-173.53.3112R411 A412 E413 R418 Q419R411-R415 WeakPolarHBondContact O-CB 3.23Å; R411-R415 WeakPolarHBondContact O-CD 3.19Å; R411-R415 WeakPolarHBondContact O-CG 3.49Å; R411-R415 PolarHBondContact O-N 2.84Å; A412-R415 WeakPolarHBondContact O-CB 3.42Å; A412-R415 PolarHBondContact O-N 3.19Å; E413-R415 VanDerWaalsContact C-N 3.27Å; E413-R415 PolarHBondContact O-N 2.96Å; R415-R418 PolarHBondContact O-N 3.09Å; R415-Q419 PolarHBondContact O-N 3.32Å
416K85Confident77.7Confident100 Ų100112.3 Ų112.344%0.43552%0.52SS..Hα-helixtrans-59.3-46.4175.8-74.1179.5-112.81590111.5A412 E413 Q419 R420A412-K416 WeakPolarHBondContact O-CG 3.35Å; A412-K416 PolarHBondContact O-N 2.66Å; E413-K416 PolarHBondContact O-N 2.65Å; E413-K416 VanDerWaalsContact O-N 3.16Å; E413-K416 VanDerWaalsContact OE2-CD 3.23Å; E413-K416 WeakPolarHBondContact OE2-CD 3.17Å; E413-K416 WeakPolarHBondContact OE2-CE 3.47Å; E413-K416 IonicContact OE2-NZ 3.83Å; E413-K416 PolarHBondContact OE2-NZ 3.03Å; K416-Q419 WeakPolarHBondContact O-CB 3.31Å; K416-Q419 PolarHBondContact O-N 3.46Å; K416-Q419 VanDerWaalsContact O-N 3.11Å; K416-R420 PolarHBondContact O-N 3.42Å
417R81.6Confident76.3Confident169 Ų169114.1 Ų114.164%0.63853%0.533SS*.Hα-helixtrans-57.4-52.9175.5-176.6173.9177.8166.92.2111.8E413 Q419 R420 D421E413-R417 WeakPolarHBondContact O-CB 3.49Å; E413-R417 PolarHBondContact O-N 2.64Å; R417-Q419 PolarHBondContact O-N 2.89Å; R417-R420 WeakPolarHBondContact O-CB 3.39Å; R417-R420 PolarHBondContact O-N 2.79Å; R417-D421 PolarHBondContact O-N 3.44Å
418R82.6Confident74.8Confident156 Ų156116 Ų11659%0.58955%0.554SS**Hα-helixtrans-62.4-16.2177-66.3173.182.1175.97.6113.8Q414 R415 R422Q414-R418 VanDerWaalsContact O-CG 3.26Å; Q414-R418 WeakPolarHBondContact O-CG 3.43Å; Q414-R418 PolarHBondContact O-N 3.29Å; Q414-R418 VanDerWaalsContact O-N 3.14Å; R415-R418 PolarHBondContact O-N 3.09Å; R418-R422 WeakPolarHBondContact O-CD 3.47Å; R418-R422 VanDerWaalsContact O-CG 3.31Å; R418-R422 WeakPolarHBondContact O-CG 3.5Å
419Q81.8Confident73.4Confident134 Ų134116.6 Ų116.663%0.62657%0.569SS**Hα-helixtrans-83.9-44169.5-174.7174.3-14.300111.9R415 K416 R417 D421 R422 T423R415-Q419 PolarHBondContact O-N 3.32Å; K416-Q419 WeakPolarHBondContact O-CB 3.31Å; K416-Q419 PolarHBondContact O-N 3.46Å; K416-Q419 VanDerWaalsContact O-N 3.11Å; R417-Q419 PolarHBondContact O-N 2.89Å; Q419-D421 PolarHBondContact O-N 2.99Å; Q419-R422 WeakPolarHBondContact O-CB 3.44Å; Q419-R422 PolarHBondContact O-N 3.44Å; Q419-T423 PolarHBondContact O-N 3.21Å; Q419-T423 VanDerWaalsContact O-N 3.11Å; Q419-T423 PolarHBondContact O-OG1 3.28Å
420R81.8Confident71.5Confident134 Ų134117 Ų11751%0.50658%0.576SS.*Hα-helixtrans-58.2-45.9173.4-65.2-178.3-172.5116.10.4111.6E413 K416 R417 R422 T423 N424E413-R420 IonicContact OE1-CZ 2.66Å; E413-R420 IonicContact OE1-NH1 3.57Å; E413-R420 PolarHBondContact OE1-NH1 3.37Å; E413-R420 IonicContact OE1-NH2 3.6Å; E413-R420 PolarHBondContact OE1-NH2 2.94Å; K416-R420 PolarHBondContact O-N 3.42Å; R417-R420 WeakPolarHBondContact O-CB 3.39Å; R417-R420 PolarHBondContact O-N 2.79Å; R420-R422 PolarHBondContact O-N 3.23Å; R420-T423 PolarHBondContact O-N 3.22Å; R420-T423 VanDerWaalsContact O-N 3.11Å; R420-T423 PolarHBondContact O-OG1 2.74Å; R420-N424 PolarHBondContact O-N 2.92Å; R420-N424 PolarHBondContact O-OD1 3.11Å
421D77.6Confident69.8Low81 Ų81122.2 Ų122.243%0.43361%0.605SS.*Hα-helixtrans-57.8-36.5178.6-56.4-29.6000111.5R417 Q419 S425R417-D421 PolarHBondContact O-N 3.44Å; Q419-D421 PolarHBondContact O-N 2.99Å; D421-S425 PolarHBondContact O-N 2.97Å; D421-S425 PolarHBondContact O-OG 2.96Å
422R76.7Confident68.1Low192 Ų192122 Ų12273%0.72562%0.618SS**Hα-helixtrans-74.7-32.6177.7-77174.5170-178.1-4.5113.9R418 Q419 R420R418-R422 WeakPolarHBondContact O-CD 3.47Å; R418-R422 VanDerWaalsContact O-CG 3.31Å; R418-R422 WeakPolarHBondContact O-CG 3.5Å; Q419-R422 WeakPolarHBondContact O-CB 3.44Å; Q419-R422 PolarHBondContact O-N 3.44Å; R420-R422 PolarHBondContact O-N 3.23Å
423T74.8Confident66.2Low81 Ų81126.6 Ų126.650%0.49764%0.642SS.*Hα-helixtrans-79.2-34.6177.6500000112.4Q419 R420 S425 T426Q419-T423 PolarHBondContact O-N 3.21Å; Q419-T423 VanDerWaalsContact O-N 3.11Å; Q419-T423 PolarHBondContact O-OG1 3.28Å; R420-T423 PolarHBondContact O-N 3.22Å; R420-T423 VanDerWaalsContact O-N 3.11Å; R420-T423 PolarHBondContact O-OG1 2.74Å; T423-S425 VanDerWaalsContact C-N 3.27Å; T423-S425 PolarHBondContact O-N 2.97Å; T423-T426 PolarHBondContact O-OG1 3.05Å
424N61Low64.1Low131 Ų131128.6 Ų128.670%0.70166%0.664SS**Hα-helixtrans-73.2-20.4176.9-70.723.3000112.7R420 T426R420-N424 PolarHBondContact O-N 2.92Å; R420-N424 PolarHBondContact O-OD1 3.11Å; N424-T426 PolarHBondContact O-N 3.5Å
425S57.8Low62.3Low96 Ų96131.1 Ų131.167%0.67169%0.685SS**THydrogen-bonded Turntrans-75.44.6178.1-63.60000114.8D421 T423D421-S425 PolarHBondContact O-N 2.97Å; D421-S425 PolarHBondContact O-OG 2.96Å; T423-S425 VanDerWaalsContact C-N 3.27Å; T423-S425 PolarHBondContact O-N 2.97Å
426T57.2Low60.2Low115 Ų115126.5 Ų126.571%0.70669%0.687SS**THydrogen-bonded Turntrans-131.412.4-175.1600000115.2T423 N424T423-T426 PolarHBondContact O-OG1 3.05Å; N424-T426 PolarHBondContact O-N 3.5Å
427D52.7Low57.9Low144 Ų144128.8 Ų128.877%0.7771%0.71SS**  trans-105.285.2177-168.917000111.2
428S50.6Low56Low105 Ų105127.4 Ų127.473%0.73472%0.72SS**  trans-166.737.5171.531.70000114.7
429V50.6Low53.6Low128 Ų128125 Ų12578%0.77673%0.734SS**  trans-162.8120.2150.2-95.10000110.5
430D42.8Very low51.3Low146 Ų146124.9 Ų124.978%0.78174%0.742SS**  169.775.5122.7-90.8-16.4000111.6V432D430-V432 PolarHBondContact O-N 3.07Å
431T43.6Very low49.2Very low142 Ų142128.1 Ų128.187%0.87176%0.76SS**  trans-86.881.2171.1-48.40000110.9
432V44.4Very low47.1Very low126 Ų126128.7 Ų128.776%0.76478%0.776SS**  trans-14090.7166.8-92.60000113.7D430D430-V432 PolarHBondContact O-N 3.07Å
433T40.9Very low45.1Very low133 Ų133124.9 Ų124.982%0.81678%0.779SS**  trans-11.7126.2142.6-49.80000116.7
434S40.2Very low43.4Very low116 Ų116126 Ų12681%0.81179%0.79SS**  -169.8139.2125.335.30000112.5
435V42.2Very low42.4Very low138 Ų138126.7 Ų126.784%0.83680%0.798SS**  trans-114.4144.6174.8-73.30000110.3
436A38.9Very low41.4Very low90 Ų90126.6 Ų126.674%0.74480%0.803SS**  trans35.5127.7158.400000120.6
437T36.2Very low40.9Very low148 Ų148126.6 Ų126.691%0.90881%0.805SS**  -171.2166.511420.60000112.6
438T41.3Very low40.7Very low139 Ų139125.3 Ų125.385%0.85381%0.805SS**  trans-101.3129.2-174.752.40000112.8
439A32.8Very low40.5Very low106 Ų106126.3 Ų126.388%0.87681%0.809SS**  trans-150.9149.6164.600000114.3
440T34.1Very low40Very low132 Ų132131.8 Ų131.881%0.8182%0.816SS**  trans-72.2137.5-166.748.40000117.5
441K37.3Very low40Very low202 Ų202134.2 Ų134.288%0.87882%0.822SS**  55.5103.3125.6-169-170.7-177.7-177.50119.6
442A34.1Very low39.6Very low93 Ų93139.7 Ų139.777%0.76983%0.827SS**  163.1131.4113.700000115.5
443S34.7Very low39.2Very low112 Ų112136.2 Ų136.278%0.78382%0.817SS**  trans32111143.7-161.50000119.2
444S37.7Very low39.1Very low105 Ų105141 Ų14173%0.73482%0.82SS**  174.9162.570.950.80000113.2
445V40.4Very low39Very low144 Ų144147 Ų14787%0.87383%0.825SS**  trans46.694.9165.3-168.90000119.1
446A37.5Very low38.8Very low94 Ų94144.2 Ų144.278%0.77782%0.824SS**  trans-161.4141146.200000111.5
447P46.7Very low38.9Very low115 Ų115148.4 Ų148.475%0.74783%0.828SS**PPolyproline II helixtrans-84150.717033.9-33.5000112.1
448P48.2Very low38.8Very low117 Ų117152.7 Ų152.776%0.7683%0.828SS**PPolyproline II helixtrans-79.3131.3-17330-34.8000113.5
449P45.3Very low38.5Very low127 Ų127154 Ų15483%0.82582%0.824SS**PPolyproline II helixtrans-71.7130.7171.329.5-33.3000111Q451P449-Q451 PolarHBondContact O-N 3.41Å
450R40.7Very low38.8Very low242 Ų242153.2 Ų153.291%0.91381%0.812SS**  trans-84114.3-178.1-64.2171.269.6168.83.3110.5R452R450-R452 PolarHBondContact O-N 3.11Å
451Q42.1Very low38.7Very low198 Ų198155.8 Ų155.893%0.92581%0.813SS**  trans-56.1131.7167.3-71.7-176.1-1300110.5P449P449-Q451 PolarHBondContact O-N 3.41Å
452R36.6Very low38.6Very low256 Ų256158.5 Ų158.597%0.96682%0.817SS**  trans-113.976.3-174-162.7-178.8-166.7-137.14.1111.8R450R450-R452 PolarHBondContact O-N 3.11Å
453G36.4Very low38.7Very low54 Ų54162.3 Ų162.356%0.55782%0.819SS**  trans-118.191.6-177.200000115.4
454R38.3Very low38.7Very low232 Ų232162 Ų16288%0.87582%0.817SS**  trans-151.9128.1162.6-71.2-57.7-178.4-109.612106.4
455R38.2Very low38.6Very low244 Ų244166.4 Ų166.492%0.92183%0.826SS**  cis62.386.830.8-144.6-178.3-160.8-166.36.6111.8
456G36.8Very low38.4Very low79 Ų79169.4 Ų169.481%0.81482%0.822SS**  trans-120.565.7-175.600000113.1
457Q42Very low38.5Very low177 Ų177171.3 Ų171.383%0.82783%0.826SS**  trans-68.6133.5154.8-101-70.517.600108
458R34.2Very low37.9Very low238 Ų238170 Ų17090%0.89882%0.819SS**  trans-159.199.7176.9-158.6172.5-160.3-86.9-4.1113.4
459E33.8Very low37.1Very low167 Ų167172.4 Ų172.478%0.7882%0.824SS**  trans-124.4144.5177.9-174.8152.5-138.100111.4
460S40Very low36.5Very low90 Ų90172.4 Ų172.463%0.62982%0.817SS**  trans69.4163.5166.576.30000120.5
461F32.2Very low36.3Very low186 Ų186167.9 Ų167.982%0.81681%0.806SS**  trans53.895.3171.5-63.3-77.5000120.6
462R35.1Very low35.9Very low259 Ų259165.2 Ų165.298%0.97779%0.794SS**  -142.4149.4113.8-77-149.7171.1-164.1-4.6110.9
463Q36.3Very low35.6Very low173 Ų173158.1 Ų158.181%0.80878%0.775SS**  trans-113.4150.4-169.5-168.1175.89.600111
464S34.7Very low35.6Very low104 Ų104162.7 Ų162.773%0.72778%0.782SS**  trans49.3114.1159.358.80000119.9
465Q36.3Very low35.4Very low199 Ų199158.6 Ų158.693%0.9378%0.777SS**  -145.1150.6110.9-78.6-138.838.200109.8
466R34.4Very low35.4Very low207 Ų207155.8 Ų155.878%0.78178%0.775SS**  trans-102.3155.5174.4-98.4-176.2167.9-166.1-4.5109.8
467P39.9Very low35.7Very low134 Ų134157.7 Ų157.787%0.8777%0.773SS**  -107.9177110.2-17.333.6000113.4
468S34.9Very low35.4Very low86 Ų86157.5 Ų157.560%0.60177%0.772SS**  trans-143.3137.4-179.8179.40000109.9
469I31.7Very low35.5Very low168 Ų168153.8 Ų153.886%0.86277%0.77SS**  trans-148.1147.5164.6-105.1158.1000109.4
470N32.4Very low35.6Very low127 Ų127154.1 Ų154.168%0.67977%0.771SS**  trans-68161.5-177.2-67.3-31.7000112.9
471Q37Very low35.2Very low147 Ų147159 Ų15969%0.68778%0.784SS**  cis-162.2-147.5-15.1-106.5179.950.900106.4
472H32.2Very low35.2Very low142 Ų142160.9 Ų160.966%0.65779%0.787SS**  cis-165.1161.711-16456.1000112.5
473N31.9Very low35.1Very low107 Ų107154.8 Ų154.857%0.57277%0.774SS**  trans52.9126.1159.3-107.12.5000124.4
474Q36.3Very low34.8Very low150 Ų150155 Ų15570%0.70177%0.773SS**  69.8107.8130-75.2175.835.400123.9
475N33.9Very low34.9Very low147 Ų147157.2 Ų157.279%0.78677%0.771SS**  73.8138.4120.6-77.49000124.5
476Q36.8Very low35.1Very low184 Ų184152.8 Ų152.886%0.8676%0.76SS**  trans76.6141.8165.5-65.9-158.51300119
477P44.2Very low35.3Very low119 Ų119148.6 Ų148.677%0.77376%0.763SS**  trans-92.3161.117438.8-34.4000111.6
478Q34.9Very low35.1Very low174 Ų174153.4 Ų153.481%0.81377%0.765SS**  trans-148.7132.3161.6-169.6167.7-8.400109.2
479D37.6Very low35.2Very low160 Ų160156.1 Ų156.186%0.85677%0.773SS**  trans-75.7132.7173.9-57.8-80.4000110.4
480E34.2Very low35.9Very low173 Ų173154.4 Ų154.481%0.80877%0.773SS**  trans-131.2138163.1-73.5-159.9143.800111
481Q33.3Very low36.2Very low193 Ų193151 Ų15190%0.90277%0.767SS**  trans-82130.9-172.3-61.7167.8-64.700110.6N483Q481-N483 PolarHBondContact O-N 2.89Å
482Y31.6Very low36.2Very low225 Ų225148.3 Ų148.388%0.88276%0.764SS**  trans-73.395.1179.9-112.2-97.6000111.8F484Y482-F484 PolarHBondContact O-N 3.27Å
483N32.2Very low36.8Very low132 Ų132153.1 Ų153.171%0.70678%0.777SS**  trans-81.997.6177.9-157.759.6000110.8Q481 H485Q481-N483 PolarHBondContact O-N 2.89Å; N483-H485 PolarHBondContact ND2-NE2 3.44Å; N483-H485 PolarHBondContact O-N 2.95Å
484F30.2Very low37.2Very low176 Ų176156.1 Ų156.177%0.77279%0.787SS**  trans-84.1102.8-168.4-158.7-86.4000112.9Y482Y482-F484 PolarHBondContact O-N 3.27Å
485H37Very low37.4Very low151 Ų151154 Ų15470%0.69979%0.789SS**PPolyproline II helixtrans-86.6120.9171.3-73.8-93000111.1N483 S487N483-H485 PolarHBondContact ND2-NE2 3.44Å; N483-H485 PolarHBondContact O-N 2.95Å; H485-S487 PolarHBondContact O-N 2.64Å
486P40.8Very low37.6Very low107 Ų107154.6 Ų154.670%0.69579%0.792SS**PPolyproline II helixtrans-73.212417429.3-33000110.8
487S37.4Very low37.7Very low119 Ų119156.2 Ų156.283%0.83279%0.792SS**PPolyproline II helixtrans-77.6125.8176.343.80000111.6H485 N489H485-S487 PolarHBondContact O-N 2.64Å; S487-N489 PolarHBondContact O-N 3.33Å
488Y37.1Very low37.2Very low235 Ų235161.1 Ų161.192%0.92280%0.796SS**PPolyproline II helixtrans-63.6129.6175.5-101.3-110.5000111.4
489N36.7Very low37.1Very low143 Ų143160.7 Ų160.777%0.76579%0.794SS**  trans-109.5107.3174.4-176.511.4000110S487 G491S487-N489 PolarHBondContact O-N 3.33Å; N489-G491 PolarHBondContact O-N 3.44Å
490P46.3Very low36.8Very low132 Ų132159.4 Ų159.486%0.85779%0.788SS**  trans-79.181.6-174.432.3-35000111.7
491G38.9Very low36.8Very low54 Ų54161.5 Ų161.556%0.55779%0.79SS**  trans-150.88.6-176.500000117.5N489N489-G491 PolarHBondContact O-N 3.44Å
492S36.6Very low36.9Very low91 Ų91161.7 Ų161.764%0.63679%0.79SS**  trans-92.2124.2179.9-169.20000112.2H494S492-H494 VanDerWaalsContact C-N 3.31Å; S492-H494 PolarHBondContact O-N 3.31Å
493W45.1Very low37Very low244 Ų244160.5 Ų160.592%0.92479%0.793SS**  trans-89.530.8-174.7-84.775.7000114.3
494H40.4Very low37Very low170 Ų170158.9 Ų158.979%0.78780%0.797SS**  trans-126.425.5-170.1-60.5110.9000115.2S492S492-H494 VanDerWaalsContact C-N 3.31Å; S492-H494 PolarHBondContact O-N 3.31Å
495S40.6Very low37.2Very low106 Ų106155.4 Ų155.474%0.74180%0.801SS**  trans-121.175175.1-58.20000111.2
496N37.6Very low37.2Very low159 Ų159152.5 Ų152.585%0.8580%0.803SS**  trans-159.945.8170.6-107.7-22.3000113.4
497Y39.7Very low37.1Very low218 Ų218154.9 Ų154.986%0.85581%0.81SS**SBendtrans-143.7150155.8-107.8-84.8000108.6
498Y32.7Very low37Very low221 Ų221158.1 Ų158.187%0.86781%0.81SS**  trans71.1122.1-167.3-62.5-79.2000116.6
499Q34.3Very low36.9Very low165 Ų165154.8 Ų154.877%0.77181%0.808SS**  trans-145.6142.7175-105.1-87.5-3.800106.2
500N30.6Very low36.8Very low133 Ų133155.8 Ų155.871%0.71181%0.81SS**  trans61.4130.4-167.7-55.5-60.8000113.8
501Y33.3Very low36.1Very low217 Ų217153.2 Ų153.285%0.85180%0.8SS**  cis-128.113627.1-88.5-104.7000113.6
502H36.5Very low36Very low197 Ų197158.7 Ų158.791%0.91281%0.811SS**  trans-129123.9158.3-76-29.3000109.5
503Q33.3Very low35.8Very low201 Ų201160.9 Ų160.994%0.93981%0.811SS**  trans-90.9145.1174.6-159.6167.778.100109.3
504A32.3Very low35.4Very low97 Ų97157 Ų15780%0.80280%0.803SS**  trans-73135.2-162.200000114.1A506A504-A506 PolarHBondContact O-N 3.26Å
505A35.1Very low35.6Very low103 Ų103154.9 Ų154.985%0.85180%0.804SS**  trans-71.8110.5169.700000110.6
506A36.2Very low35.1Very low90 Ų90153.5 Ų153.574%0.74481%0.807SS**  trans-90.4114.3175.900000111A504 F508A504-A506 PolarHBondContact O-N 3.26Å; A506-F508 PolarHBondContact O-N 2.99Å
507N37.8Very low35Very low157 Ų157154.8 Ų154.884%0.8481%0.81SS**  trans-65.2123167.6-71.9-38.5000109.9
508F35.1Very low35.1Very low188 Ų188149.8 Ų149.883%0.82580%0.804SS**  trans-134.1112.5159.2-107.3-82.2000111.9A506A506-F508 PolarHBondContact O-N 2.99Å
509N36.1Very low35.1Very low164 Ų164149.4 Ų149.488%0.87781%0.808SS**  trans-109.5106.6171.2175.58.6000107.1
510M33.8Very low35.3Very low164 Ų164147 Ų14781%0.80881%0.807SS**  trans-147.8134.1177.2-174.5165.3169.100110.2
511A33Very low35.8Very low78 Ų78147.1 Ų147.165%0.64581%0.812SS**  trans-115.1-175.5-179.700000111
512Q35.8Very low36.4Very low169 Ų169142 Ų14279%0.7981%0.805SS**  trans93.2133.9177.8-63.6-160.47400115.1
513Q33.3Very low36.1Very low138 Ų138138 Ų13865%0.64579%0.79SS**  cis-144.2145.2-0.5-67.9-160.9-1200113.5
514H36.8Very low36Very low161 Ų161138.6 Ų138.675%0.74579%0.785SS**  trans54.5168.2136.7-61.7-34.1000122.2
515P43.6Very low35.9Very low126 Ų126137.8 Ų137.882%0.81879%0.787SS**  cis-135.4165.8-45.237.4-22.7000113.7
516G29.4Very low36.1Very low78 Ų78144.8 Ų144.880%0.80479%0.793SS**  trans142.2110.6157.300000116.7
517M35.7Very low35.9Very low185 Ų185143.8 Ų143.891%0.91179%0.791SS**  trans-91.7175168.2-33.9-74.1-83.500109.6
518P42Very low36Very low113 Ų113144.5 Ų144.573%0.73479%0.792SS**  cis-132.2162.9-9.339.1-23.6000114.8
519F33.9Very low36.7Very low214 Ų214141.4 Ų141.494%0.93979%0.79SS**PPolyproline II helixtrans-94.6130.6157.2-92.7-90.7000110.6
520P38.8Very low36.9Very low115 Ų115144.3 Ų144.375%0.74779%0.79SS**PPolyproline II helixtrans-98120.9166.234.1-27.9000111.9
521V40.2Very low37.2Very low135 Ų135141 Ų14182%0.81879%0.789SS**PPolyproline II helixtrans-97.4166.9144.9-60.10000107
522P46.3Very low37.5Very low109 Ų109145.8 Ų145.871%0.70880%0.801SS**  cis-144.5-176.511.438.6-16.8000117.1
523N29.8Very low37.9Very low112 Ų112142.5 Ų142.560%0.59979%0.794SS**  trans90.5152.4133.4-131.5-13.9000123.6
524Y31.9Very low38.5Very low214 Ų214141 Ų14184%0.83980%0.796SS**  trans63.7138.7160.7-60.8-56.8000121.8
525G29.6Very low38.9Very low81 Ų81142 Ų14284%0.83580%0.803SS**  trans158.580.5161.300000115.8
526Y40.3Very low38.8Very low249 Ų249145.5 Ų145.598%0.97680%0.802SS**  trans-83.9131.1165.8-127.3-92.1000109.2
527G31.8Very low39.5Very low69 Ų69146.9 Ų146.971%0.71180%0.796SS**  trans-179.3112.4176.100000115
528M39.8Very low40.3Very low173 Ų173146.4 Ų146.485%0.85279%0.792SS**  trans-75.3155.2164.2-72-74-170.300110.1
529P48Very low40.2Very low122 Ų122149.1 Ų149.179%0.79280%0.797SS**  -139.4152.7102.437.5-26.7000115
530Y41.6Very low41.4Very low225 Ų225148.7 Ų148.788%0.88279%0.79SS**  trans-66.6141.8163.5-100-117.2000111.2
531A39Very low42.5Very low95 Ų95148.5 Ų148.579%0.78579%0.789SS**  trans-142.3151.216100000109.6
532M40.8Very low43.7Very low179 Ų179147.7 Ų147.788%0.88279%0.787SS**PPolyproline II helixtrans-80.2152.4-171-61.7-134.697.900113.4
533P44.4Very low44.7Very low99 Ų99148.1 Ų148.164%0.64379%0.789SS**PPolyproline II helixtrans-70.6144.6173.430.3-35.5000111.8
534P44.7Very low46.6Very low107 Ų107148 Ų14870%0.69580%0.795SS**PPolyproline II helixtrans-74.6127.9173.530.2-33.2000111.1Y536P534-Y536 HydrophobicContact CB-CE2 4.43Å; P534-Y536 PolarHBondContact O-N 3.31Å
535M45.1Very low48Very low182 Ų182143.9 Ų143.990%0.89779%0.794SS**PPolyproline II helixtrans-70.3123.1171.7-69.4-74.5169.600110.3
536Y41.8Very low49.5Very low200 Ų200150 Ų15078%0.78480%0.798SS**  trans-108.9144.9167.6-92.4-95.3000110.5P534P534-Y536 HydrophobicContact CB-CE2 4.43Å; P534-Y536 PolarHBondContact O-N 3.31Å
537P44.8Very low50.7Low107 Ų107142.2 Ų142.270%0.69579%0.785SS**  trans-80.3145.2-165.731.8-35.7000113.2M539P537-M539 PolarHBondContact O-N 3.27Å
538H52.1Low52.4Low175 Ų175144.5 Ų144.581%0.8179%0.787SS**  trans-64.7120.6168.7-55.6-77000110.6
539M40.4Very low53.9Low170 Ų170141.7 Ų141.784%0.83778%0.782SS**  trans-121.4117.5164.7-77-88.670.700109.3P537P537-M539 PolarHBondContact O-N 3.27Å
540Y57.5Low54.6Low204 Ų204141.3 Ų141.380%0.878%0.78SS**PPolyproline II helixtrans-71.8147.2169.9-75.9-101.1000109.9
541P62.8Low55.4Low112 Ų112136.7 Ų136.773%0.72778%0.777SS**PPolyproline II helixtrans-63.1145.9165.628.9-34.2000110.2
542P66.2Low55.8Low118 Ų118139.1 Ų139.177%0.76678%0.777SS**PPolyproline II helixtrans-71.5148.7-18030-35000111.8
543P65.9Low56.4Low118 Ų118138 Ų13877%0.76677%0.774SS**PPolyproline II helixtrans-69.6150.6173.730.3-35000111.5
544P69.5Low56.4Low110 Ų110141 Ų14171%0.71478%0.78SS**PPolyproline II helixtrans-67.7153.4177.429.1-35.4000112.2
545P62.3Low56.2Low127 Ų127141.3 Ų141.383%0.82579%0.785SS**PPolyproline II helixtrans-68.2139.817828.6-34.6000111.9A547P545-A547 PolarHBondContact O-N 3.11Å
546F61.1Low56.1Low209 Ų209142 Ų14292%0.91779%0.786SS**PPolyproline II helixtrans-64.4131.8175.9-82.8-103000111.7
547A64.3Low56.4Low85 Ų85142.1 Ų142.170%0.70279%0.793SS**PPolyproline II helixtrans-71.5145.3163.200000110.5P545P545-A547 PolarHBondContact O-N 3.11Å
548P69Low56.4Low117 Ų117140.5 Ų140.576%0.7680%0.796SS**PPolyproline II helixtrans-69.1144174.229.5-34.3000111.1
549P70.3Confident56.5Low114 Ų114141 Ų14174%0.7480%0.799SS**PPolyproline II helixtrans-71.5153.8179.830.2-35.6000112.2
550P62.1Low57.4Low115 Ų115138.4 Ų138.475%0.74779%0.794SS**PPolyproline II helixtrans-65.4153.1173.129.1-35.3000111.7N552P550-N552 PolarHBondContact O-N 3.41Å
551P59.4Low57.6Low128 Ų128134.4 Ų134.483%0.83179%0.793SS**PPolyproline II helixtrans-65.7120.6-179.626.6-34000111.5N553P551-N553 PolarHBondContact O-N 3.26Å; P551-N553 VanDerWaalsContact O-N 3.11Å
552N47Very low57.6Low145 Ų145134.7 Ų134.778%0.77580%0.795SS**  trans-71.8103.1179.5-175.815.7000111.1P550 Q554P550-N552 PolarHBondContact O-N 3.41Å; N552-Q554 PolarHBondContact O-N 3.48Å
553N52.8Low57Low155 Ų155138.4 Ų138.483%0.82982%0.824SS**  trans-90.276.5-174.4-169.918.4000112.3P551P551-N553 PolarHBondContact O-N 3.26Å; P551-N553 VanDerWaalsContact O-N 3.11Å
554Q44.7Very low56.5Low163 Ų163139.5 Ų139.576%0.76283%0.827SS**  trans-161.3117.3173.6-121.2170.291.100113.2N552N552-Q554 PolarHBondContact O-N 3.48Å
555S41.6Very low55.8Low114 Ų114141 Ų14180%0.79783%0.833SS**  trans173.648.814743.20000115.5
556H43.3Very low55.5Low197 Ų197141.8 Ų141.891%0.91283%0.833SS**  trans-132.163165.8-76.5-25.4000112.6G558H556-G558 PolarHBondContact O-N 3.4Å
557Q48Very low55.1Low201 Ų201137.8 Ų137.894%0.93983%0.828SS**  trans-77.9108.7154.6-80.2-167.8-900108.5
558G44.1Very low54.6Low73 Ų73141.1 Ų141.175%0.75384%0.836SS**PPolyproline II helixtrans-73171.117200000112.8H556H556-G558 PolarHBondContact O-N 3.4Å
559Q54.5Low53.6Low187 Ų187142.7 Ų142.787%0.87484%0.841SS**PPolyproline II helixtrans-60.2158.7-175.9-69.7164.6-2500114.2
560P58.8Low52.4Low115 Ų115144.8 Ų144.875%0.74785%0.849SS**PPolyproline II helixtrans-68.4156.3174.530.6-37.1000112.6
561P61.8Low51.7Low120 Ų120147.1 Ų147.178%0.77986%0.857SS**PPolyproline II helixtrans-67.1151.9167.830.7-34.9000111.3
562P62.7Low51Low118 Ų118148.7 Ų148.777%0.76686%0.859SS**PPolyproline II helixtrans-91.4156.6-171.735.6-36.3000114.9
563S53.1Low51.4Low196 Ų196149 Ų149100%1.37187%0.866SS**  trans69.90161.5-63.10000117.5

Retrieved 563 of 563 residues in 211.3 ms (Link to these results)