A0A087XSL1_POEFO Loading...

Homologous recombination factor with OB-fold

AlphaFold DB , UniProt , Accession A0A087XSL1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 632 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
1M41.6Very low38.8Very low247 Ų247153.4 Ų153.4100%1.21786%0.861SS**  0156.60-69.4168.7-178.600108.2
2T38.4Very low38.8Very low129 Ų129151.6 Ų151.679%0.79185%0.848SS**  trans-110179.9-169.747.60000112.4
3C37.4Very low39.1Very low116 Ų116154.2 Ų154.278%0.78485%0.85SS**  trans79.1147.6167.8-59.40000116.8
4K37.6Very low39.3Very low196 Ų196154.8 Ų154.885%0.85285%0.851SS**  cis-167.9155.1-28.4-143.4170.6-179.3179.90108.7
5L45Very low39Very low167 Ų167156.4 Ų156.487%0.87485%0.847SS**  trans-88.2146.9167.1-90.181.9000111.6
6S37Very low39.6Very low121 Ų121157.4 Ų157.485%0.84685%0.852SS**  trans-180129.9146.453.90000114.4
7G33.8Very low39.9Very low75 Ų75155.5 Ų155.577%0.77384%0.84SS**  trans79.1147.4158.500000117
8L36.7Very low40.4Very low175 Ų175155.7 Ų155.792%0.91684%0.835SS**  cis-145152.611.1-79.2161.7000111.9
9F38.7Very low41Very low208 Ų208156.5 Ų156.591%0.91284%0.839SS**  trans-121.9143.7159.6-82.3-91.7000108
10S37.2Very low41.5Very low104 Ų104153.6 Ų153.673%0.72783%0.827SS**  trans178.8168.8160-105.40000109.6
11L43.8Very low41.8Very low149 Ų149154.5 Ų154.578%0.7883%0.831SS**  trans77.1104-164.7-51.2179.3000109.8
12D38Very low41.8Very low132 Ų132146 Ų14671%0.70681%0.806SS**  cis60.991.617.2-40.5-67.3000113.7
13E43.5Very low41.9Very low186 Ų186146.4 Ų146.487%0.86981%0.809SS**  trans-147.3144.4154.8-109.4177132.500107.7
14D42.1Very low41.9Very low162 Ų162148.3 Ų148.387%0.86681%0.811SS**  trans-88.8168.7-151.1-67.2-89000117
15F34.5Very low42.1Very low179 Ų179149.7 Ų149.779%0.78581%0.811SS**  trans-77.8127.2161.3-105.3-122.7000109.9
16D48.1Very low41.6Very low173 Ų173147 Ų14793%0.92581%0.806SS**  trans-91.4105.8155.9-94.5-47.6000108.1
17D44.1Very low42.4Very low124 Ų124147.1 Ų147.166%0.66380%0.804SS**  trans-87.7169169.5-82.4-60.5000111.3
18E48.8Very low42.1Very low160 Ų160149.8 Ų149.875%0.74881%0.809SS**  trans66.498.3174.8-57.6-73.472.300117
19D51.9Low42.2Very low171 Ų171146.6 Ų146.691%0.91480%0.802SS**  -145138.7107.3-138.7-19.3000111.7
20V51.7Low41.9Very low98 Ų98143.8 Ų143.859%0.59480%0.802SS**  trans-100.8139-164.4169.40000111.4
21L47.4Very low41.9Very low173 Ų173143.5 Ų143.591%0.90681%0.806SS**  trans-175.8117.3132.3-99166.2000110.9
22G41.1Very low41.3Very low67 Ų67140 Ų14069%0.69181%0.805SS**  trans-83.9174.8-175.300000115.2
23T42.1Very low41.8Very low139 Ų139139.6 Ų139.685%0.85381%0.81SS**  trans-144.2145.3161.8-65.50000109.4
24D36.3Very low41.4Very low155 Ų155136 Ų13683%0.82981%0.805SS**  trans-71.7160.5-171-160.14.3000113.3
25W42.7Very low40.8Very low225 Ų225138.1 Ų138.185%0.85281%0.807SS**  trans-100.1171.9178.8-84.781.5000112
26S34.7Very low40.7Very low111 Ų111134 Ų13478%0.77681%0.805SS**  trans92153.5165.6-470000114.9
27P53.1Low39.8Very low124 Ų124130.5 Ų130.581%0.80580%0.801SS**  trans-126.4170.6-130.334.4-16.8000115
28C28.4Very low39.2Very low130 Ų130129.1 Ų129.188%0.87881%0.807SS**  trans-150.5150.1167.5-149.20000113.8
29S37.9Very low38.2Very low109 Ų109127.8 Ų127.876%0.76281%0.809SS**  trans-136.7131.4169.5-75.60000108.3
30V32.6Very low37.5Very low149 Ų149126 Ų12690%0.90380%0.804SS**  trans177.3133.6137.2146.80000112.9
31A36.5Very low36.7Very low98 Ų98126.1 Ų126.181%0.8181%0.809SS**  trans-2.6125.2167.600000125.1
32G31.7Very low35.8Very low75 Ų75123.7 Ų123.777%0.77381%0.806SS**  87.6173.1126.100000119.5
33P49.4Very low35.4Very low123 Ų123125.8 Ų125.880%0.79981%0.809SS**  cis-133.8-177.6-3.140.6-23.4000116
34S34.3Very low35Very low110 Ų110125 Ų12577%0.76981%0.81SS**  trans93.4103.6151.1-55.30000123.5
35K30.2Very low35Very low208 Ų208125.8 Ų125.890%0.90481%0.813SS**  84.3136118.5-157178.9-177.1179.90122
36A30.8Very low34.6Very low92 Ų92126.5 Ų126.576%0.7682%0.815SS**  trans103.987.9151.200000122.1
37A29.9Very low34.2Very low100 Ų100126 Ų12683%0.82682%0.818SS**  70.6107115.600000124.2
38A31.4Very low33.2Very low95 Ų95125.4 Ų125.479%0.78582%0.817SS**  -146.8133.1126.800000107
39V29.3Very low33.3Very low132 Ų132124.7 Ų124.780%0.881%0.813SS**  cis77.4120.940.9-179.10000112.4
40V36.8Very low32.9Very low134 Ų134126.2 Ų126.281%0.81282%0.818SS**  cis-172.6149-26.5127.20000106.5
41S34.1Very low32.7Very low100 Ų100124.2 Ų124.270%0.69981%0.81SS**  trans166.7124.1131.2-169.10000113.1
42S29.6Very low32.3Very low121 Ų121128 Ų12885%0.84681%0.811SS**  trans-154.8132.7151.9-169.40000107.3
43C32Very low32.3Very low111 Ų111133.1 Ų133.175%0.7581%0.807SS**  trans-105.3140.7-166.8-66.80000112.9
44S33Very low31.4Very low123 Ų123132.6 Ų132.686%0.8680%0.797SS**  trans-155.1149.6166.6-75.30000109.3
45L36.3Very low31.2Very low171 Ų171134.5 Ų134.590%0.89579%0.794SS**  trans-123.8146.6-176.8-73.6172.2000111.8
46R34.2Very low31.1Very low240 Ų240131 Ų13191%0.90678%0.781SS**  trans-0.2152.8157.9-75.1177168.6162.2-4119.4
47A27.4Very low31Very low100 Ų100134.1 Ų134.183%0.82678%0.777SS**  cis-146.6-172.232.700000115.2
48S31.7Very low31Very low112 Ų112134.6 Ų134.678%0.78377%0.77SS**  trans-113-177.2-164.5-45.20000114.5
49S31.1Very low30.7Very low115 Ų115134.9 Ų134.980%0.80477%0.765SS**  trans96.4145.6162.683.30000116.6
50V28.7Very low30.7Very low142 Ų142137.3 Ų137.386%0.86177%0.767SS**  cis-153.5156.4-14.7116.50000109.8
51S29.1Very low30.4Very low107 Ų107138.3 Ų138.375%0.74876%0.763SS**  trans-86.8149.9-177.4-42.20000114.6
52H27.5Very low30.6Very low176 Ų176139.2 Ų139.282%0.81577%0.766SS**  -153.3-177.1128.6-138-108.7000114.5
53R32.3Very low30.4Very low184 Ų184139.6 Ų139.669%0.69476%0.764SS**  trans-119.8163-149.7-56.3164.746.1174.7-5116.2
54D29.6Very low30.2Very low111 Ų111137.5 Ų137.559%0.59476%0.761SS**  trans65.9163.2147.3-60.9-30.8000118
55Q31Very low30Very low150 Ų150141.3 Ų141.370%0.70177%0.765SS**  cis-158.9146.39.6-147.9167-26.400113.2
56E27.7Very low29.5Very low134 Ų134142 Ų14263%0.62676%0.761SS**  trans55.2172.9151.1-80.517465.400119.7
57K29.4Very low29.2Very low159 Ų159137.7 Ų137.769%0.69176%0.755SS**  cis-158.6155.511.8-142.7179.3-169.981.90113
58T27.9Very low29.2Very low110 Ų110136.5 Ų136.568%0.67575%0.746SS**  trans44.6109.814943.70000124.9
59C27.1Very low29Very low100 Ų100139.4 Ų139.468%0.67675%0.747SS**  67133.9108.3-71.40000127.2
60H28.7Very low29Very low183 Ų183140.3 Ų140.385%0.84774%0.742SS**  trans86.6127.3140.5-62.5-44.5000124.2
61Q29.4Very low29.1Very low156 Ų156137.9 Ų137.973%0.72973%0.73SS**  trans-18.6156154.6-105.8-17934.200120
62P38.8Very low29.2Very low118 Ų118139.9 Ų139.977%0.76673%0.732SS**  -148.4157.581.140.9-23.7000119.9
63T26.2Very low29.3Very low130 Ų130135 Ų13580%0.79873%0.73SS**  trans10.6142.1133-40.60000122.1
64G26.3Very low29.4Very low67 Ų67131.8 Ų131.869%0.69174%0.735SS**  trans115.8154.415800000114.6
65E29.8Very low29.5Very low203 Ų203132.5 Ų132.595%0.94974%0.743SS**  cis-159.2-157.1-12.160.4-168.7120.300111.5
66K26.1Very low29.5Very low184 Ų184131.2 Ų131.280%0.875%0.751SS**  trans-136.7138.3-160.4167.5-159.5169.8-168.70112.8
67L27.9Very low29.7Very low151 Ų151127.9 Ų127.979%0.79175%0.753SS**  trans161.3139.8148.7-84.4156.8000107.1
68A26.7Very low30Very low75 Ų75126.5 Ų126.562%0.6276%0.763SS**  63135.76500000113.4
69E27.3Very low30.3Very low173 Ų173125.3 Ų125.381%0.80877%0.765SS**  cis-148.8-146.9-1.4-136170.194.900109.1
70L30.6Very low30.8Very low134 Ų134127.2 Ų127.270%0.70277%0.765SS**  cis-164.4-179.69.1-139.4-174.6000108.3
71C31.3Very low31.3Very low90 Ų90126 Ų12661%0.60876%0.76SS**  trans72.1141159.2-65.50000119.2
72N32.3Very low31.5Very low150 Ų150123.6 Ų123.680%0.80276%0.76SS**  cis-160.4132.41.9-109.6-20.3000114.1
73G28.7Very low31.1Very low74 Ų74121.7 Ų121.776%0.76376%0.762SS**  trans70.8160.8149.900000121.2
74S33.8Very low31.5Very low115 Ų115120.1 Ų120.180%0.80476%0.762SS**  cis-170157.2-18.1-138.20000114.2
75V32.6Very low31.8Very low126 Ų126120.9 Ų120.976%0.76476%0.762SS**  trans81.4130.1154.9174.20000122.1
76S31.4Very low32.2Very low123 Ų123119.7 Ų119.786%0.8676%0.756SS**  trans64132.8160-69.60000121.7
77G32.2Very low32.6Very low65 Ų65116.6 Ų116.667%0.6775%0.753SS**  cis163.6133.9-12.600000115.7
78S34.3Very low32.8Very low129 Ų129115.5 Ų115.590%0.90275%0.752SS**  trans66.2158.2174.381.50000116.2
79A34.2Very low33Very low86 Ų86116 Ų11671%0.71176%0.756SS**  cis-172.6166-22.500000109.7
80M38.9Very low33.2Very low140 Ų140117.2 Ų117.269%0.6976%0.762SS**  cis-168.1136.5-24.6-93.2-89.669.400108.7
81H39.4Very low33.2Very low158 Ų158114.4 Ų114.473%0.73177%0.766SS**  trans63.7156.2157-64.9-46.9000120.5
82S32.4Very low33.3Very low104 Ų104116.1 Ų116.173%0.72777%0.768SS**  cis-168.8144.9-20.8-100.70000112.6
83G30.9Very low33.5Very low78 Ų78118.2 Ų118.280%0.80477%0.765SS**  trans77.5167.9150.600000118.9
84A34.4Very low33.6Very low97 Ų97122 Ų12280%0.80276%0.763SS**  cis-162.8149.9-1700000112.8
85A32.3Very low33.5Very low83 Ų83123.2 Ų123.269%0.68676%0.758SS**  trans53.4115.9139.100000123.8
86Q38.4Very low33.3Very low179 Ų179122.4 Ų122.484%0.83676%0.758SS**  92.1108117.9-69.5-176.92900124.7
87T33.8Very low33.2Very low119 Ų119120.8 Ų120.873%0.7375%0.747SS**  74.1154.8111.1-32.70000123.4
88V31.9Very low33.1Very low127 Ų127126.4 Ų126.477%0.7775%0.754SS**  trans78.1108.4165.4-162.40000115.7
89A31.8Very low32.8Very low86 Ų86125.7 Ų125.771%0.71175%0.748SS**  cis96.2145.925.300000116.7
90Q31.9Very low32.6Very low198 Ų198125.6 Ų125.693%0.92575%0.747SS**  trans78.5135.5170.9-53.5-166.813.500119.9
91G29.9Very low32.1Very low76 Ų76124.5 Ų124.578%0.78475%0.754SS**  trans176.7127.4172.500000108.4
92L34.6Very low31.7Very low126 Ų126121.2 Ų121.266%0.6675%0.748SS**  trans-135.4146.2-160.7-93.3164.9000113.2
93R36.2Very low31.5Very low193 Ų193123.4 Ų123.473%0.72875%0.752SS**  trans69164.1156.4-68.1179.3-120.9-92.36.8114.9
94Q31.3Very low31.5Very low154 Ų154126 Ų12672%0.7275%0.753SS**  cis-158.2174.61.5-133.3164.5-40.600113.2
95I29.8Very low31.2Very low140 Ų140126.4 Ų126.472%0.71875%0.75SS**  trans55.6108.1154.766.4-175.7000122.5
96S29.8Very low31.1Very low109 Ų109128.6 Ų128.676%0.76276%0.758SS**  19.9145.9109.9-28.80000119.2
97S29.8Very low31.1Very low89 Ų89125.9 Ų125.962%0.62275%0.754SS**  173.6171.650.448.50000114.5
98F28.8Very low31.5Very low184 Ų184125 Ų12581%0.80776%0.759SS**  trans66116154.2-59.8-56.1000123.8
99S28.9Very low31.9Very low113 Ų113127.4 Ų127.479%0.7976%0.762SS**  42140.3117.8-41.20000120.5
100A29.6Very low32.6Very low84 Ų84130 Ų13069%0.69476%0.763SS**  cis-178.51644200000112.2
101S29.3Very low33.7Very low117 Ų117128.2 Ų128.282%0.81876%0.761SS**  trans65.1154.6151.4-63.70000119.6
102S29.6Very low35.1Very low89 Ų89133.4 Ų133.462%0.62276%0.762SS**  cis-173.5143.8-18.450.90000110.8
103N27.8Very low36.2Very low151 Ų151135.3 Ų135.381%0.80777%0.772SS**  trans60.8152.1154.8-58.1-4.2000118
104T30.9Very low37.1Very low133 Ų133133.2 Ų133.282%0.81678%0.776SS**  cis-141.8172.58.2-16.50000110.7
105S28.8Very low38.5Very low105 Ų105137.1 Ų137.173%0.73478%0.784SS**  trans-79.6158179.547.30000114.9
106C30.7Very low39.7Very low129 Ų129138 Ų13887%0.87279%0.791SS**  trans-139.6133.9141.454.20000108.4
107T37.7Very low40.9Very low122 Ų122138 Ų13875%0.74879%0.785SS**  trans-118.6128-177.143.50000108.9
108A43Very low41.8Very low100 Ų100140.1 Ų140.183%0.82679%0.79SS**PPolyproline II helixtrans-90135.8162.500000108.4
109Q40.4Very low43Very low178 Ų178138.7 Ų138.783%0.83279%0.79SS**PPolyproline II helixtrans-92.8145.6165.4-73.8160.6-121.800107.8
110D45.7Very low43.9Very low139 Ų139137 Ų13774%0.74378%0.783SS**PPolyproline II helixtrans-88.8126.3171.2-71.2-70.8000109.3F112D110-F112 HydrophobicContact CB-CD2 4.15Å; D110-F112 PolarHBondContact O-N 2.72Å
111D55.5Low45Very low162 Ų162140 Ų14087%0.86679%0.787SS**  trans-74101.2176-69.7-48.5000110.5
112F58.2Low46Very low185 Ų185141.9 Ų141.981%0.81179%0.787SS**  trans-138.424.7176-88.5-76.3000114.2D110D110-F112 HydrophobicContact CB-CD2 4.15Å; D110-F112 PolarHBondContact O-N 2.72Å
113D58.1Low47.2Very low165 Ų165145.4 Ų145.488%0.88280%0.799SS**  trans-107.478.7175.9-64.8-49.2000110.7
114D55.6Low48.2Very low149 Ų149147.3 Ų147.380%0.79780%0.803SS**  trans-154.838.2179.8-153.221.4000113.2
115W59.7Low48.5Very low236 Ų236146.5 Ų146.589%0.89480%0.802SS**  trans-134.925.9177.6-84.979.7000113.4V117W115-V117 PolarHBondContact O-N 2.63Å; W115-V117 VanDerWaalsContact O-N 3.09Å
116D55.8Low48.9Very low160 Ų160147.9 Ų147.986%0.85680%0.8SS**  trans-69.1104166.5-77.7-31.7000109.2
117V55Low49.1Very low107 Ų107149.8 Ų149.865%0.64880%0.802SS**  trans-94.4104173.5179.90000107.7W115 L119W115-V117 PolarHBondContact O-N 2.63Å; W115-V117 VanDerWaalsContact O-N 3.09Å; V117-L119 PolarHBondContact O-N 3.18Å
118D48.4Very low48.9Very low135 Ų135151.9 Ų151.972%0.72280%0.804SS**  trans-59.8105.5179.7-77.2-54.8000111.7A120D118-A120 PolarHBondContact O-N 2.7Å; D118-A120 VanDerWaalsContact O-N 3.15Å
119L54.6Low48.5Very low154 Ų154153.5 Ų153.581%0.80680%0.803SS**THydrogen-bonded Turntrans-78.114.9176.5-71.5170.9000113.3V117V117-L119 PolarHBondContact O-N 3.18Å
120A46.7Very low48.2Very low77 Ų77156 Ų15664%0.63681%0.805SS**THydrogen-bonded Turntrans-82.5-30.1-177.400000113.6D118 L122D118-A120 PolarHBondContact O-N 2.7Å; D118-A120 VanDerWaalsContact O-N 3.15Å; A120-L122 VanDerWaalsContact C-N 3.28Å; A120-L122 PolarHBondContact O-N 2.89Å; A120-L122 VanDerWaalsContact O-N 3.13Å
121D52.5Low47.5Very low147 Ų147157.4 Ų157.479%0.78681%0.807SS**THydrogen-bonded Turntrans-88.431.4-168-70.2-4.7000114.1
122L52.2Low46.3Very low156 Ų156156.5 Ų156.582%0.81780%0.801SS**THydrogen-bonded Turntrans-127.111.6-179-76.9178.8000115.6A120A120-L122 VanDerWaalsContact C-N 3.28Å; A120-L122 PolarHBondContact O-N 2.89Å; A120-L122 VanDerWaalsContact O-N 3.13Å
123D53.2Low45Very low163 Ų163152.6 Ų152.687%0.87280%0.797SS**SBendtrans-124.947.6174.8-137.3-45.5000112.8
124E48.5Very low43.7Very low191 Ų191151 Ų15189%0.89379%0.793SS**  trans-13494.8162.6-168.6167.5-130.500110.6
125C38.7Very low42.9Very low117 Ų117149.7 Ų149.779%0.79179%0.793SS**  trans-145118.1166.7-166.90000110.3N127C125-N127 PolarHBondContact O-N 3.2Å
126D35.7Very low41.4Very low133 Ų133142.7 Ų142.771%0.71179%0.785SS**  trans-57.9129.4-167.5-73.6-80.5000115.4
127N35.4Very low40.2Very low169 Ų169140 Ų14090%0.90479%0.785SS**  trans-115.352.7156.2-84.1-80.6000110.8C125C125-N127 PolarHBondContact O-N 3.2Å
128Q33.6Very low39.1Very low167 Ų167139.3 Ų139.378%0.7879%0.791SS**  trans-99.588.7-179.3-165.4163.111700112.6
129T34Very low38.3Very low133 Ų133141.4 Ų141.482%0.81680%0.796SS**  trans-152.8123.9154.9-17.20000114
130R34.7Very low38.5Very low232 Ų232138.7 Ų138.788%0.87579%0.788SS**  trans68.599.1161.8-80.6178.4169.2-91.8-2.6120.1
131Q30.8Very low38.7Very low168 Ų168140.5 Ų140.579%0.78579%0.793SS**  -32.6157.6128.2-62.3170.9-46.100113.2
132L30.9Very low37.6Very low142 Ų142138.4 Ų138.474%0.74379%0.79SS**  -172.6154.757.7-167.170.2000114.2
133S31.9Very low36.7Very low103 Ų103136.2 Ų136.272%0.7279%0.788SS**  trans66115.1151.849.90000122.6
134T29Very low35.7Very low131 Ų131132.5 Ų132.580%0.80478%0.78SS**  trans-72.9156.3148.1-10.10000111.5
135P39.3Very low35Very low123 Ų123132.6 Ų132.680%0.79978%0.778SS**  -139.8147.188.527.7-7.9000113.1
136A28.7Very low34.6Very low88 Ų88132.6 Ų132.673%0.72777%0.774SS**  97.8104.957.800000114.8
137A30.2Very low34.3Very low104 Ų104134.2 Ų134.286%0.8678%0.782SS**  trans42.9126.7153.300000123
138A31.3Very low34.1Very low92 Ų92137.2 Ų137.276%0.7678%0.78SS**  162.6112.6103.500000115.8
139E31.4Very low35.1Very low179 Ų179135 Ų13584%0.83678%0.781SS**  62.7166.1129.2-76.2-60.487.700122.9
140P60.2Low34.9Very low98 Ų98134.3 Ų134.364%0.63678%0.781SS**  trans-119.5-152.4-138.848.7-36.8000112.2
141P50.3Low34.9Very low114 Ų114129.2 Ų129.274%0.7478%0.776SS**  cis-140.8176.5-0.540.3-19.3000119.5
142S30.1Very low34.7Very low103 Ų103131.5 Ų131.572%0.7278%0.779SS**  trans-12.8136.8148.8-172.80000119
143S33.8Very low35Very low110 Ų110129 Ų12977%0.76977%0.769SS**  177.9123.910244.90000117.1
144A30.3Very low35.1Very low86 Ų86128.9 Ų128.971%0.71176%0.764SS**  trans27.6142.8135.900000125.1
145K34.1Very low35.5Very low193 Ų193129.7 Ų129.784%0.83976%0.762SS**  92.1109.7128.5-90.6172.1-177.7172.40122.8
146T30.1Very low35.4Very low116 Ų116130.6 Ų130.671%0.71276%0.756SS**  trans76.9119.2131.7-190000120.6
147L29.1Very low35.7Very low168 Ų168131.6 Ų131.688%0.8875%0.753SS**  -176.2168.7105-95.2167.7000113.7
148R32.2Very low37Very low232 Ų232132 Ų13288%0.87575%0.747SS**  trans-108.2-161.4-179.2-68-179.1170.9178.2-3110.1
149P54.8Low38.3Very low121 Ų121133 Ų13379%0.78675%0.745SS**  -126.7-175.4-74.538.9-23.8000112.2
150S30.6Very low38.4Very low117 Ų117130.2 Ų130.282%0.81874%0.741SS**  trans-163.4168.9141.3-1560000113.2
151T33.5Very low37.1Very low125 Ų125136.4 Ų136.477%0.76775%0.751SS**  trans-135.2155-171.538.80000113.9
152Y27.7Very low36.1Very low216 Ų216136 Ų13685%0.84775%0.751SS**  trans-152.3121.6154.2-151.2-103.3000107.5
153V37.2Very low36.2Very low91 Ų91139.3 Ų139.355%0.55276%0.76SS**  cis84.5134.942.8172.70000111.4
154T33.7Very low36.3Very low100 Ų100144.5 Ų144.561%0.61376%0.763SS**  cis-170.4170.3-18.8-87.90000106.7Q156T154-Q156 HydrophobicContact CG2-CG 4Å
155I36.1Very low36.3Very low147 Ų147146.8 Ų146.875%0.75476%0.763SS**  trans157.9102.5142.8-75.1-97.6000107.8
156Q37.2Very low36.2Very low142 Ų142143.7 Ų143.766%0.66476%0.761SS**  86.7147.464.8-78.6-166.872.700113.6T154T154-Q156 HydrophobicContact CG2-CG 4Å
157T36.9Very low36.2Very low110 Ų110143.6 Ų143.668%0.67577%0.765SS**  cis-171.5-157-4.825.40000108.9
158P55.5Low36.5Very low113 Ų113140.3 Ų140.373%0.73476%0.756SS**  -118.2-153.6-65.339.2-22.8000110.6
159P59.2Low36.4Very low111 Ų111139.5 Ų139.572%0.72175%0.754SS**  cis-129.4-161.1-9.340.1-18.4000113.2
160T33.5Very low35.2Very low121 Ų121137.7 Ų137.774%0.74274%0.744SS**  cis-152-178.62.2-18.50000113.8
161R33.6Very low35.1Very low228 Ų228138.7 Ų138.786%0.8674%0.74SS**  trans-56.7173171.9-67160.2-177.6167.1-0.7118.1
162S29.5Very low35.1Very low106 Ų106138 Ų13874%0.74174%0.74SS**  cis122.8121.7-8.9-177.30000115.9
163L32.8Very low35.3Very low173 Ų173135.7 Ų135.791%0.90674%0.741SS**  trans175.9-173.9138.6-98.8168.5000114.1
164R35.5Very low35.1Very low218 Ų218135.7 Ų135.782%0.82375%0.75SS**  trans-123.1169.5-166.6-54.2-179.9179160.2-2.9116.3
165D30.3Very low35.2Very low134 Ų134135.3 Ų135.372%0.71776%0.757SS**  trans87.8146.6142.5-68.9-47000123.1
166T31.4Very low35.6Very low129 Ų129133.7 Ų133.779%0.79176%0.756SS**  trans88.4102.1168630000122.4
167S30.4Very low35.4Very low114 Ų114135.9 Ų135.980%0.79777%0.766SS**  trans43.3129138.961.40000123.8
168S34.4Very low35.2Very low99 Ų99135.1 Ų135.169%0.69277%0.765SS**  170.3135.495.7-167.70000114.4
169Y29.9Very low34.2Very low214 Ų214136.6 Ų136.684%0.83977%0.766SS**  trans58.3142.5158-87.5-125.6000120.2
170C30.1Very low32.9Very low83 Ų83140.4 Ų140.456%0.56177%0.772SS**  cis-164155.7-15.7-130.30000113.3
171N29.9Very low32.8Very low139 Ų139140.3 Ų140.374%0.74378%0.776SS**  trans64.694.4151.7-58.9-8.7000122.2
172S32.3Very low32.6Very low109 Ų109134.1 Ų134.176%0.76277%0.774SS**  11.9157100.3-45.40000119.6
173I32Very low32.6Very low169 Ų169137.3 Ų137.387%0.86778%0.777SS**  cis-156.4-176.718.4-139.6156.2000112.5
174A33.9Very low32.6Very low90 Ų90136 Ų13674%0.74477%0.77SS**  trans-87.3179.3-173.600000116.8
175A33.9Very low32.6Very low93 Ų93133.5 Ų133.577%0.76977%0.768SS**  trans-65.816617700000113.9
176P45.6Very low33.3Very low113 Ų113132.7 Ų132.773%0.73477%0.77SS**  -16217691.844.1-24.7000119
177Q33.8Very low34.2Very low188 Ų188131.2 Ų131.288%0.87976%0.762SS**  trans62.9176.5146.6-69.3-80.51.200120.2
178S32.8Very low34.2Very low93 Ų93130.3 Ų130.365%0.6576%0.756SS**  trans-129.5157.9-16262.50000115.2
179L33.6Very low34.2Very low144 Ų144132.3 Ų132.375%0.75476%0.764SS**  168.9163128-92.5172.2000114.2
180F31.2Very low34.4Very low192 Ų192127.3 Ų127.384%0.84276%0.76SS**  trans76157.6165.6-67.3-67.2000120.9
181S32Very low34.4Very low119 Ų119129.2 Ų129.283%0.83277%0.773SS**  trans-118.1145.6-158.8-440000113.5
182A29.7Very low34.6Very low98 Ų98126.6 Ų126.681%0.8177%0.771SS**  trans-155.4110.1154.200000113.2
183H30.3Very low34.6Very low173 Ų173127 Ų12780%0.80177%0.774SS**  37.2132125.5-15839.2000121.9
184L31.5Very low34.8Very low145 Ų145128.5 Ų128.576%0.75977%0.774SS**  trans115.3145152.6-65.6173.8000120.1
185Q35Very low35.7Very low166 Ų166130 Ų13078%0.77678%0.776SS**  trans-68.7165.8-176.9-124.4170.7-74.200113.6
186P45.3Very low35.5Very low117 Ų117130.2 Ų130.276%0.7678%0.778SS**  -144.8-15692.644.6-26.4000113.1
187P50.8Low34.9Very low97 Ų97129.3 Ų129.363%0.6378%0.78SS**  -141160.4-100.443.7-23.6000119.5
188S30.7Very low35.5Very low95 Ų95126.1 Ų126.166%0.66478%0.776SS**  trans40.4124.3140.3670000123.8
189T33Very low36.3Very low141 Ų141127.2 Ų127.287%0.86578%0.781SS**  161.6140.6109.8390000110.5
190S34.7Very low36.1Very low110 Ų110128.8 Ų128.877%0.76978%0.784SS**  cis-129.5-1413.756.30000109.2
191C31.1Very low36.3Very low123 Ų123125 Ų12583%0.83178%0.777SS**  cis-153.4-157.46.9-148.30000111.5
192A34.2Very low36.9Very low84 Ų84124.8 Ų124.869%0.69477%0.773SS**  trans-106.6171.2179.400000112.4
193S32.4Very low37Very low117 Ų117125.2 Ų125.282%0.81877%0.77SS**  cis-152.7165.915.2-35.40000113.5
194F35.5Very low37.1Very low201 Ų201120.9 Ų120.988%0.88276%0.759SS**  trans-73.2-178.8173.8-67.4-79.8000114.2
195P51.8Low37.1Very low121 Ų121122.9 Ų122.979%0.78676%0.762SS**  cis-131-165.44.628.3-3.3000113.8
196A30.3Very low37Very low98 Ų98119.3 Ų119.381%0.8176%0.755SS**  cis-165.3175.4-40.500000108.5
197A32.3Very low36.3Very low94 Ų94124.3 Ų124.378%0.77776%0.759SS**  trans-83-171.7-176.800000113.2
198P47.5Very low35.8Very low121 Ų121126.8 Ų126.879%0.78677%0.765SS**  cis-138-176.24.541-19.7000116.5
199P50.3Low36.1Very low116 Ų116128 Ų12875%0.75377%0.771SS**  trans-106.3166.2-17939.7-34.4000115.3
200Q28.8Very low35.9Very low176 Ų176125.9 Ų125.982%0.82277%0.768SS**  trans178.7171135.1-97.5-58.6-13.300113.4
201T36Very low35.5Very low113 Ų113127.3 Ų127.369%0.69377%0.771SS**  trans-84.5169.7-171.6640000116
202P43.3Very low35.4Very low115 Ų115126.7 Ų126.775%0.74777%0.769SS**  -126.2152.3946.116.2000112.7
203S31.6Very low35.2Very low106 Ų106131 Ų13174%0.74178%0.779SS**  75.3138.156.2107.30000114
204S32.8Very low35Very low82 Ų82128.9 Ų128.957%0.57377%0.769SS**  cis-165.2163.41.3-148.50000115.2
205F32.5Very low34.9Very low187 Ų187125.9 Ų125.982%0.8277%0.769SS**  trans67.5151.9155-67.3-52.9000120.4
206S32.8Very low33.7Very low92 Ų92125.4 Ų125.464%0.64377%0.769SS**  cis-159.71694.9-135.10000115.7
207R29.4Very low33.6Very low222 Ų222125.7 Ų125.784%0.83877%0.765SS**  trans79105.9161.4-146.7-179.9-57.7-109.42.3116.2
208I40.8Very low33.3Very low148 Ų148130.1 Ų130.176%0.75977%0.767SS**  cis80.8134.837.5-55.3170.3000112.4
209P37.8Very low32.3Very low121 Ų121128.9 Ų128.979%0.78676%0.762SS**  cis-118.41728.129.9-10.8000116.3
210A27.7Very low31.2Very low96 Ų96132.7 Ų132.779%0.79376%0.761SS**  trans-130.1151.2165.300000110
211V26.5Very low31.1Very low140 Ų140130.2 Ų130.285%0.84875%0.752SS**  trans-143.8120.2166.3-177.10000109
212S29.1Very low30.8Very low111 Ų111131.3 Ų131.378%0.77676%0.761SS**  trans-89.8154.6164.6-49.20000109.7
213L29.3Very low29.9Very low174 Ų174129.9 Ų129.991%0.91176%0.759SS**  trans-169162.6143-107.4164.5000113.9
214A28.2Very low29.8Very low73 Ų73131 Ų13160%0.60376%0.761SS**  trans-63.9165.6-167.900000117.4
215P33.5Very low29.7Very low137 Ų137132.1 Ų132.189%0.8977%0.769SS**  trans-83.7120.7152.133.6-28.3000110.5
216S27.3Very low30.2Very low111 Ų111129.1 Ų129.178%0.77677%0.768SS**  trans-139.9150.2167.461.10000110.7
217S28Very low30.1Very low105 Ų105129 Ų12973%0.73477%0.773SS**  trans-56.1149-177.8-49.30000113.4
218F26.9Very low30.7Very low186 Ų186123.8 Ų123.882%0.81677%0.768SS**  -167.1169.6110.1-112.9-76.8000113
219S26.7Very low30.3Very low96 Ų96122 Ų12267%0.67177%0.768SS**  trans-68.3-178.9175.9-34.10000112.2
220R25.8Very low29.9Very low195 Ų195121 Ų12174%0.73676%0.764SS**  171.4132.266.2-175.9178.1-74.3-95.52.3113
221I27.7Very low30.1Very low124 Ų124125.4 Ų125.464%0.63677%0.766SS**  trans64.1142.8149.9-66.9173.1000119.4A223I221-A223 HydrophobicContact CG2-CB 3.66Å
222P28.7Very low30.4Very low136 Ų136123.8 Ų123.888%0.88376%0.761SS**  -119.3147.5122.435.7-33.9000111.8
223A25.3Very low30.4Very low85 Ų85128.9 Ų128.970%0.70276%0.763SS**  trans-151.2127.4-178.200000112.9I221I221-A223 HydrophobicContact CG2-CB 3.66Å
224V28.7Very low30.6Very low129 Ų129127.3 Ų127.378%0.78275%0.754SS**  trans-145.3138.5159.4175.30000108
225S30.3Very low31.2Very low107 Ų107129 Ų12975%0.74876%0.759SS**  trans-93.6-169-177.5-26.40000110.8
226P43.9Very low30.9Very low124 Ų124126.7 Ų126.781%0.80575%0.751SS**  cis-130.3174.417.741.5-23.5000116.6
227A30.9Very low30.8Very low89 Ų89127.8 Ų127.874%0.73675%0.753SS**  trans-88.8176.516800000111.6
228P42.6Very low30.8Very low113 Ų113127.8 Ų127.873%0.73475%0.753SS**  -143.4158.497.739.7-27.6000115.7
229S31.8Very low30.8Very low109 Ų109125.1 Ų125.176%0.76276%0.757SS**  trans48.3136.6145.765.40000120.8
230S29.4Very low31Very low101 Ų101124.9 Ų124.971%0.70676%0.761SS**  cis-167.4-176.815.4-159.30000112.8
231F31Very low32.4Very low189 Ų189121.8 Ų121.883%0.82977%0.767SS**  trans72.1103.4161.1-76.2-73.9000122.6
232S32.7Very low32.5Very low106 Ų106121.8 Ų121.874%0.74178%0.778SS**  58.282124.2-57.70000124.3
233R29.9Very low32.6Very low217 Ų217120.3 Ų120.382%0.81977%0.771SS**  50.6103.5101.7-170.3-169.2-72.1-973.6121.5
234I33Very low32.8Very low141 Ų141126.4 Ų126.472%0.72378%0.782SS**  trans65.3155.2133.4-56.5174.9000118.1
235P41.7Very low32.8Very low109 Ų109125.3 Ų125.371%0.70878%0.779SS**  cis-107.9178.4-10.819.84.6000112.2
236A26.1Very low32.7Very low88 Ų88131.8 Ų131.873%0.72779%0.787SS**  cis65144.147.900000113.4
237V26.3Very low32.2Very low134 Ų134132.9 Ų132.981%0.81279%0.785SS**  cis-151.4166.622.7-73.50000112.8
238S27Very low32.4Very low106 Ų106134.5 Ų134.574%0.74179%0.788SS**  trans65.1144.3147.5-154.50000121.2
239S28Very low31.6Very low129 Ų129133 Ų13390%0.90279%0.785SS**  trans-145.5115.6164.5-68.80000110.1
240A30.1Very low31.3Very low91 Ų91134.4 Ų134.475%0.75279%0.789SS**  trans-143.3157.617200000108.7
241P56.3Low31.2Very low131 Ų131134.2 Ų134.285%0.85179%0.788SS**  trans-104.3157.6-140.637.7-36.6000115.7
242S28.9Very low31Very low124 Ų124130.6 Ų130.687%0.86779%0.786SS**  trans-155.6149154.6580000111.6
243S30.8Very low30.8Very low105 Ų105129.9 Ų129.973%0.73479%0.786SS**  trans-109.3140.1164.5174.80000107.8
244F28.7Very low31.2Very low213 Ų213126 Ų12693%0.93479%0.789SS**  trans-162.8152.1152.4-110.2-67.4000112.6
245S29.5Very low31.1Very low105 Ų105124.7 Ų124.773%0.73479%0.792SS**  trans-80.1159.8-168-43.30000115.1
246R27.3Very low30.4Very low243 Ų243124 Ų12492%0.91779%0.79SS**  trans-147.5130.8154.5-169.9169.9-67.1-110.8-0.6111.4
247I35.2Very low30.4Very low148 Ų148128.4 Ų128.476%0.75979%0.793SS**  trans-102.4151.6174.4-54.8162.7000108
248P33.6Very low30.4Very low122 Ų122126.8 Ų126.879%0.79279%0.788SS**  -135.6146.4118.631.2-17.4000113.5
249A25.7Very low30.4Very low82 Ų82133.2 Ų133.268%0.67880%0.796SS**  trans-75.5167.9162.700000109.4
250V26.6Very low30.7Very low138 Ų138134.1 Ų134.184%0.83679%0.789SS**  cis-149.7172.839.6-73.30000108.8
251S26.3Very low31.1Very low98 Ų98135.7 Ų135.769%0.68579%0.792SS**  cis-171.4144.245.4-166.20000114.2
252S27Very low29.6Very low113 Ų113133.6 Ų133.679%0.7979%0.785SS**  trans35.4124.7144.2-51.70000123.1
253A29.2Very low29.5Very low91 Ų91134.2 Ų134.275%0.75278%0.783SS**  trans-78.1169144.800000110.7
254P39.1Very low29.3Very low136 Ų136134.3 Ų134.388%0.88378%0.784SS**  -147.3-162.290.440.8-23.2000114
255S29.9Very low29.3Very low112 Ų112132.4 Ų132.478%0.78378%0.783SS**  trans-116.8153.6-162.353.80000116.9
256S26.7Very low29.3Very low95 Ų95131.6 Ų131.666%0.66478%0.783SS**  trans89.3157.2147.3-151.90000122.1
257F27Very low29.9Very low181 Ų181126.1 Ų126.179%0.79478%0.778SS**  trans85.497.5161.9-62.7-66.5000123.1
258S26.5Very low29.7Very low99 Ų99124.5 Ų124.569%0.69278%0.78SS**  74.8124118.9-62.50000123.7
259R25.4Very low29.5Very low242 Ų242122.7 Ų122.791%0.91377%0.771SS**  -153.7146.7124-156.3156.6-67.3-1290.7112.5
260I35.5Very low29.7Very low148 Ų148128.1 Ų128.176%0.75978%0.779SS**  trans-118.8160.3174-28.4177.2000108.3
261P37.3Very low29.7Very low124 Ų124125.9 Ų125.981%0.80577%0.77SS**  -149.9-178.6105.138.9-23.2000114.9
262A25.6Very low29.8Very low86 Ų86132.6 Ų132.671%0.71178%0.78SS**  cis179.7117.9-49.500000110.9
263V26.6Very low30Very low137 Ų137133.3 Ų133.383%0.8378%0.78SS**  trans-152.8108.1164.6-171.60000106
264S27.7Very low30.9Very low107 Ų107134.4 Ų134.475%0.74878%0.779SS**  60129.987.7-74.20000114
265L27.6Very low30.2Very low173 Ų173133.8 Ų133.891%0.90678%0.778SS**  cis-146.2-170.918.8-112.2160.5000113.4
266A28.7Very low30.2Very low89 Ų89136.9 Ų136.974%0.73678%0.78SS**  trans-108.5170.1-154.400000117.8
267P41.1Very low31.4Very low127 Ų127136.6 Ų136.683%0.82578%0.776SS**  trans-114.7171.4-172.142.4-33.6000116.7
268S30.4Very low31.5Very low114 Ų114136 Ų13680%0.79778%0.775SS**  trans-171.5160.8162.257.50000110.4
269S29.1Very low31.6Very low85 Ų85138.5 Ų138.559%0.59478%0.776SS**  cis-170.4170.8-20.6-91.90000110.6
270F29.8Very low31.6Very low195 Ų195133.4 Ų133.486%0.85577%0.766SS**  trans78.5146.3163-48-60.7000118.3
271S27Very low31.4Very low92 Ų92134.7 Ų134.764%0.64377%0.769SS**  cis-165146.7-10.3-110.80000114.9
272R27.9Very low31.3Very low238 Ų238137.9 Ų137.990%0.89877%0.77SS**  trans64.3132.4144.8-69.6-178.1171.5-125.7-1.2123.5
273T32.4Very low32.3Very low128 Ų128139.2 Ų139.279%0.78577%0.772SS**  trans-102.8-167.8152.457.10000108.5
274P47.6Very low32.4Very low114 Ų114143.1 Ų143.174%0.7477%0.772SS**  cis-140.9-158.81.444.7-24.4000115.7
275S23.9Very low32.6Very low123 Ų123143.4 Ų143.486%0.8676%0.763SS**  trans102.3167.8156.580.70000120.3
276H30.6Very low33.2Very low177 Ų177140.3 Ų140.382%0.81975%0.751SS**  trans-173.2162.6-153.6-167.8-137.2000106.6
277P52Low34.1Very low89 Ų89141.1 Ų141.158%0.57875%0.749SS**  cis-140.3-170.313.744.8-25.5000117.4
278Q28.4Very low33.7Very low168 Ų168144 Ų14479%0.78575%0.751SS**  trans71.3135.6147.7-89.7-172.1-9.300124.3
279Q28.1Very low33.7Very low152 Ų152142.8 Ų142.871%0.7175%0.748SS**  trans71.5143.7142-104.6-169.8-31.100124.1
280L27.3Very low33.7Very low135 Ų135143.5 Ų143.571%0.70776%0.759SS**  trans70.5141.2150.3-69.2166.5000117.4
281Q31Very low33.9Very low176 Ų176138.7 Ų138.782%0.82275%0.75SS**  cis-138.1171.32.3-66.8-157.3-1.700114.3
282K35.3Very low34.3Very low190 Ų190141.8 Ų141.883%0.82675%0.754SS**  trans-74.9168.9162.2-88.6177.8-178.4178.70110.6
283P46.5Very low35Very low115 Ų115135.8 Ų135.875%0.74775%0.746SS**  -158.5178.155.543.8-21.4000121.3
284W27.8Very low35Very low219 Ų219141 Ų14183%0.8375%0.751SS**  trans74.9150.6152.8-110.2-150.4000118.1
285M32.1Very low34.1Very low113 Ų113140.6 Ų140.656%0.55775%0.751SS**  cis-155.8153.65.1-171.130.3166.200113.2
286T40.3Very low34.8Very low108 Ų108141.3 Ų141.366%0.66375%0.745SS**  trans63.4156157.6320000121
287P47Very low35Very low105 Ų105142.8 Ų142.868%0.68275%0.749SS**  cis-117.8148.1-46.517.44.4000111.2
288Q33.3Very low34Very low187 Ų187145.6 Ų145.687%0.87476%0.759SS**  58.6128.373.1-177.4-178.7-2.800112.6
289A30.3Very low34Very low89 Ų89143.2 Ų143.274%0.73676%0.757SS**  cis-1561754.300000108.7
290A29.9Very low34.2Very low100 Ų100142.5 Ų142.583%0.82676%0.762SS**  cis-151.6176.8-7.700000108.6
291S34Very low34.7Very low94 Ų94141.2 Ų141.266%0.65777%0.765SS**  trans-136.1-180170.765.50000110.8
292Q34.3Very low35.4Very low158 Ų158139.1 Ų139.174%0.73877%0.766SS**  trans79.4159.1175.5-44.7-50.7-48.200116.2
293P42.1Very low35.1Very low112 Ų112133.4 Ų133.473%0.72776%0.761SS**  cis-127.1177-12.917.76.9000115
294R33.7Very low35.7Very low236 Ų236134 Ų13489%0.89177%0.765SS**  trans-25.7140.7156.5-56.2167.5171.2125.2-4.5115.3
295S28.5Very low36.9Very low106 Ų106129.2 Ų129.274%0.74176%0.762SS**  -179.8157.898.6-158.80000113.9
296L39.2Very low37Very low139 Ų139128.2 Ų128.273%0.72877%0.772SS**  trans-27.6142.7166.4-53.3162.7000116.8
297F34Very low36.6Very low207 Ų207128.4 Ų128.491%0.90878%0.778SS**  -172.9178.6123-86.9-49.5000112
298N30.5Very low36Very low148 Ų148129.3 Ų129.379%0.79178%0.781SS**  trans-103.6148-155.2-87.2-4000116.2
299T29.5Very low35.9Very low119 Ų119126.9 Ų126.973%0.7377%0.774SS**  trans71.1122.8131.7-60.20000122.3
300V32.9Very low36Very low137 Ų137127.4 Ų127.483%0.8377%0.772SS**  trans78.2136.9151.4164.60000120.7
301S36.4Very low36.1Very low108 Ų108128.8 Ų128.876%0.75578%0.776SS**  trans-79.9165175-40.30000113.8
302P45.1Very low36.2Very low132 Ų132128.9 Ų128.986%0.85778%0.783SS**  -134.8174126.237.8-28.2000114.4
303G29.4Very low36.6Very low70 Ų70127.4 Ų127.472%0.72279%0.786SS**  trans-96.1-165.6-174.200000116.7
304P60.6Low36.2Very low126 Ų126127.2 Ų127.282%0.81879%0.788SS**  trans-95-173.7-160.940.4-39.5000114.4
305P52Low36.7Very low120 Ų120121.5 Ų121.578%0.77978%0.781SS**  -153174.6100.940.9-24000117.9
306A33.2Very low37.2Very low91 Ų91125.1 Ų125.175%0.75279%0.786SS**  trans69.3125.6158.900000119
307S32.2Very low37.4Very low113 Ų113124.3 Ų124.379%0.7979%0.789SS**  81.7131.854.3-157.70000111.8
308V35.2Very low37.8Very low123 Ų123122.2 Ų122.275%0.74579%0.787SS**  cis-136.5-173.227.4-620000111
309N31.7Very low38.5Very low136 Ų136123.5 Ų123.573%0.72779%0.787SS**  cis-156.8139.80.8-144.4-1.4000114.9
310S31Very low39.7Very low100 Ų100123.5 Ų123.570%0.69979%0.788SS**  trans34.8112.2137.7-57.50000125.6
311S32.8Very low40.9Very low129 Ų129121.4 Ų121.490%0.90278%0.777SS**  -175.5155.911338.90000111.7
312A36.7Very low41.9Very low97 Ų97122.6 Ų122.680%0.80278%0.779SS**  trans-132.2176.4-172.400000110.3
313P41.2Very low42.5Very low126 Ų126122.4 Ų122.482%0.81877%0.77SS**  cis-124.8174.6-3.441.3-27.3000114.2
314S35.3Very low44.6Very low108 Ų108123 Ų12376%0.75576%0.76SS**  trans-122.9133.3169.754.80000112.4
315P44Very low45.2Very low116 Ų116123.2 Ų123.275%0.75375%0.754SS**PPolyproline II helixtrans-78.6152.1174.432.8-34.5000111.3P317P315-P317 WeakPolarHBondContact O-CD 3.2Å
316H38.9Very low46Very low183 Ų183127 Ų12785%0.84775%0.753SS**PPolyproline II helixtrans-75.8131.5172.4-6717.5000111.6
317P43.7Very low48Very low121 Ų121126.2 Ų126.279%0.78674%0.736SS**PPolyproline II helixtrans-97.9129.8156.2-1.423.1000109.8P315P315-P317 WeakPolarHBondContact O-CD 3.2Å
318L42.1Very low49.9Very low164 Ų164123.7 Ų123.786%0.85972%0.716SS**PPolyproline II helixtrans-67.9142.6178.3-66.4165.3000111.3T320L318-T320 PolarHBondContact O-N 3.47Å
319H45.1Very low51.6Low174 Ų174124.1 Ų124.181%0.80671%0.709SS**  trans-64.3101.7-178.5174-79.7000112P321H319-P321 WeakPolarHBondContact O-CD 3.4Å
320T54Low53.6Low120 Ų120123.3 Ų123.374%0.73670%0.704SS**  trans-73.1118.4175.652.20000110.9L318L318-T320 PolarHBondContact O-N 3.47Å
321P57.7Low55.3Low93 Ų93122.9 Ų122.960%0.60470%0.697SS**  trans-68.2137.3176.228.7-34.1000111H319 L323H319-P321 WeakPolarHBondContact O-CD 3.4Å; P321-L323 PolarHBondContact O-N 3.17Å; P321-L323 VanDerWaalsContact O-N 3.15Å
322V58.9Low57.2Low132 Ų132119.3 Ų119.380%0.867%0.673SS**  trans-64.7114.8-178.2178.60000110.5T324V322-T324 PolarHBondContact O-N 3.05Å
323L57.6Low58.1Low128 Ų128117.7 Ų117.767%0.6766%0.659SS**  trans-69.189.9179.2-75166000111.3P321 L327 V328P321-L323 PolarHBondContact O-N 3.17Å; P321-L323 VanDerWaalsContact O-N 3.15Å; L323-L327 HydrophobicContact CD2-CD2 4.15Å; L323-V328 HydrophobicContact CB-CG2 4.23Å; L323-V328 HydrophobicContact CD2-CG2 4.35Å
324T72.3Confident58.8Low83 Ų83116.9 Ų116.951%0.50966%0.656SS.*  trans-68.5149.3168.668.10000110.7V322 R326 L327 V328V322-T324 PolarHBondContact O-N 3.05Å; T324-R326 PolarHBondContact O-N 2.87Å; T324-R326 VanDerWaalsContact O-N 3.08Å; T324-L327 PolarHBondContact O-N 3.3Å; T324-V328 PolarHBondContact O-N 3.37Å
325N73.3Confident59.8Low131 Ų131115.5 Ų115.570%0.70165%0.647SS**Hα-helixtrans-54.3-31.7179-79.7-57.9000113.3V328 Q329N325-V328 PolarHBondContact O-N 2.95Å; N325-Q329 WeakPolarHBondContact O-CB 3.08Å; N325-Q329 VanDerWaalsContact O-CG 3.24Å; N325-Q329 WeakPolarHBondContact O-CG 3.47Å; N325-Q329 PolarHBondContact O-N 3.34Å
326R68.8Low60.5Low200 Ų200117.7 Ų117.776%0.75564%0.644SS**Hα-helixtrans-64.5-41.5174.3-98.9-176.7170.4176.8-3.3112.9T324 Q329 L330T324-R326 PolarHBondContact O-N 2.87Å; T324-R326 VanDerWaalsContact O-N 3.08Å; R326-Q329 PolarHBondContact O-N 3.27Å; R326-L330 WeakPolarHBondContact O-CG 3.46Å; R326-L330 PolarHBondContact O-N 3.48Å
327L75.3Confident61.2Low73 Ų73116.2 Ų116.238%0.38264%0.642SS.*Hα-helixtrans-67.4-42.4178.2-174.259.1000110.7L323 T324 Q329 L330 V331L323-L327 HydrophobicContact CD2-CD2 4.15Å; T324-L327 PolarHBondContact O-N 3.3Å; L327-Q329 VanDerWaalsContact C-N 3.35Å; L327-Q329 PolarHBondContact O-N 2.74Å; L327-L330 PolarHBondContact O-N 2.86Å; L327-V331 HydrophobicContact CD1-CG2 4.45Å; L327-V331 WeakPolarHBondContact O-CG2 3.45Å; L327-V331 PolarHBondContact O-N 2.96Å
328V72.8Confident61.2Low61 Ų61116.4 Ų116.437%0.3764%0.643SS.*Hα-helixtrans-59.7-44.1173.3179.10000111.3L323 T324 N325 S332L323-V328 HydrophobicContact CB-CG2 4.23Å; L323-V328 HydrophobicContact CD2-CG2 4.35Å; T324-V328 PolarHBondContact O-N 3.37Å; N325-V328 PolarHBondContact O-N 2.95Å; V328-S332 WeakPolarHBondContact O-CB 3.49Å; V328-S332 PolarHBondContact O-N 3.19Å; V328-S332 PolarHBondContact O-OG 3.24Å
329Q71Confident61.4Low131 Ų131118.3 Ų118.361%0.61264%0.644SS**Hα-helixtrans-62.8-43.7176.2-77.2171.6-15.900112.9N325 R326 L327 S332 A333N325-Q329 WeakPolarHBondContact O-CB 3.08Å; N325-Q329 VanDerWaalsContact O-CG 3.24Å; N325-Q329 WeakPolarHBondContact O-CG 3.47Å; N325-Q329 PolarHBondContact O-N 3.34Å; R326-Q329 PolarHBondContact O-N 3.27Å; L327-Q329 VanDerWaalsContact C-N 3.35Å; L327-Q329 PolarHBondContact O-N 2.74Å; Q329-S332 CarbonylContact O-C 3.56Å; Q329-S332 PolarHBondContact O-N 3.25Å; Q329-A333 WeakPolarHBondContact O-CB 3.44Å; Q329-A333 PolarHBondContact O-N 3.13Å
330L72.3Confident61.2Low119 Ų119120.2 Ų120.262%0.62365%0.65SS**Hα-helixtrans-64-46.9178.8-75.7165.3000111.9R326 L327 S332 A333 S334R326-L330 WeakPolarHBondContact O-CG 3.46Å; R326-L330 PolarHBondContact O-N 3.48Å; L327-L330 PolarHBondContact O-N 2.86Å; L330-S332 VanDerWaalsContact C-N 3.31Å; L330-S332 PolarHBondContact O-N 3.04Å; L330-A333 PolarHBondContact O-N 3.44Å; L330-A333 VanDerWaalsContact O-N 3.16Å; L330-S334 WeakPolarHBondContact O-CB 3.35Å; L330-S334 PolarHBondContact O-N 3.32Å
331V68Low60.3Low91 Ų91126.2 Ų126.255%0.55266%0.66SS**Hα-helixtrans-65.6-35.2176.41770000111.4L327 A333 S335L327-V331 HydrophobicContact CD1-CG2 4.45Å; L327-V331 WeakPolarHBondContact O-CG2 3.45Å; L327-V331 PolarHBondContact O-N 2.96Å; V331-A333 VanDerWaalsContact C-N 3.29Å; V331-A333 PolarHBondContact O-N 3.21Å; V331-S335 WeakPolarHBondContact O-CB 3.3Å; V331-S335 PolarHBondContact O-N 3.18Å; V331-S335 PolarHBondContact O-OG 3.13Å
332S73.1Confident59.1Low55 Ų55133.7 Ų133.739%0.38568%0.676SS.*Hα-helixtrans-75-13.4175.1-57.70000114.4V328 Q329 L330 K336V328-S332 WeakPolarHBondContact O-CB 3.49Å; V328-S332 PolarHBondContact O-N 3.19Å; V328-S332 PolarHBondContact O-OG 3.24Å; Q329-S332 CarbonylContact O-C 3.56Å; Q329-S332 PolarHBondContact O-N 3.25Å; L330-S332 VanDerWaalsContact C-N 3.31Å; L330-S332 PolarHBondContact O-N 3.04Å; S332-K336 WeakPolarHBondContact O-CD 3.33Å; S332-K336 WeakPolarHBondContact O-CE 3.46Å; S332-K336 PolarHBondContact O-NZ 2.86Å
333A55.4Low57.9Low62 Ų62139.1 Ų139.151%0.51268%0.682SS.*Hα-helixtrans-89.4-46.3170.200000110.9Q329 L330 V331 S335 K336Q329-A333 WeakPolarHBondContact O-CB 3.44Å; Q329-A333 PolarHBondContact O-N 3.13Å; L330-A333 PolarHBondContact O-N 3.44Å; L330-A333 VanDerWaalsContact O-N 3.16Å; V331-A333 VanDerWaalsContact C-N 3.29Å; V331-A333 PolarHBondContact O-N 3.21Å; A333-S335 VanDerWaalsContact C-N 3.26Å; A333-S335 PolarHBondContact O-N 3.48Å; A333-K336 PolarHBondContact O-N 3.3Å
334S55.3Low56.8Low110 Ų110138.1 Ų138.177%0.76969%0.686SS**Hα-helixtrans-66.6-21.8-176.2-175.60000114.4L330L330-S334 WeakPolarHBondContact O-CB 3.35Å; L330-S334 PolarHBondContact O-N 3.32Å
335S56.3Low55Low79 Ų79142.9 Ų142.955%0.55270%0.702SS**THydrogen-bonded Turntrans-86.71-178.746.10000115.5V331 A333 L337V331-S335 WeakPolarHBondContact O-CB 3.3Å; V331-S335 PolarHBondContact O-N 3.18Å; V331-S335 PolarHBondContact O-OG 3.13Å; A333-S335 VanDerWaalsContact C-N 3.26Å; A333-S335 PolarHBondContact O-N 3.48Å; S335-L337 PolarHBondContact O-N 3.11Å
336K58.4Low53.6Low162 Ų162140.8 Ų140.870%0.70470%0.703SS**  trans-93.789-174.5-72173178.7158.90113S332 A333S332-K336 WeakPolarHBondContact O-CD 3.33Å; S332-K336 WeakPolarHBondContact O-CE 3.46Å; S332-K336 PolarHBondContact O-NZ 2.86Å; A333-K336 PolarHBondContact O-N 3.3Å
337L54.4Low52.3Low152 Ų152140.3 Ų140.380%0.79671%0.709SS**  trans-60.4141.6169.5-91.473.4000112S335 K339S335-L337 PolarHBondContact O-N 3.11Å; L337-K339 PolarHBondContact O-N 3.4Å
338P43.7Very low51.2Low124 Ų124145.9 Ų145.981%0.80573%0.733SS**  trans-71114.8176.928.5-33.9000111.3K340P338-K340 PolarHBondContact O-N 3.37Å
339K44.8Very low49.7Very low204 Ų204148.8 Ų148.889%0.88775%0.753SS**  trans-68111.4176-72.6-175.9175.7-179.30111L337 R341L337-K339 PolarHBondContact O-N 3.4Å; K339-R341 PolarHBondContact O-N 2.93Å; K339-R341 VanDerWaalsContact O-N 3.12Å
340K41Very low49Very low214 Ų214151.6 Ų151.693%0.9377%0.766SS**  trans-56.5113.8164.3-78.2-175.4175.9178.70109.5P338P338-K340 PolarHBondContact O-N 3.37Å
341R35.8Very low48.2Very low247 Ų247151.6 Ų151.693%0.93277%0.771SS**  trans-89.5125.7174.5-152176.9-169.6-170.21.8109.2K339K339-R341 PolarHBondContact O-N 2.93Å; K339-R341 VanDerWaalsContact O-N 3.12Å
342R33.6Very low47.9Very low249 Ų249158.2 Ų158.294%0.9479%0.786SS**  trans-68.4158.2168-82-169.8172.4-159.7-0.8110.3
343R33.8Very low47.6Very low246 Ų246166.8 Ų166.893%0.92881%0.81SS**  trans-108.1115.2-165.4-179-171.3-170.5178.94.4112.6
344S34.2Very low47.8Very low108 Ų108172.5 Ų172.576%0.75582%0.824SS**  trans-179.1146.816142.10000107.8
345E33.9Very low48.3Very low182 Ų182170.8 Ų170.885%0.8581%0.81SS**  cis-145.8-176-19.2-160.3157.313700109.3H347E345-H347 PolarHBondContact O-N 3.09Å
346A44.4Very low49.2Very low87 Ų87169.4 Ų169.472%0.71981%0.809SS**  trans-47.2114.5-163.600000118.2
347H41.1Very low49.4Very low191 Ų191169 Ų16988%0.88482%0.823SS**  trans-138.6152148.3-76.2-68.6000109.7E345E345-H347 PolarHBondContact O-N 3.09Å
348Q52.3Low50Low189 Ų189166.5 Ų166.588%0.88382%0.824SS**  trans-66.6139.3-166.1-69.6179.7-16.300114.1Q350Q348-Q350 PolarHBondContact O-N 3.48Å
349P40.3Very low51.1Low122 Ų122162.8 Ų162.879%0.79281%0.808SS**  trans-76.8105.9170.230.9-32.3000110.8T351P349-T351 PolarHBondContact O-N 3.12Å
350Q56Low52Low190 Ų190160 Ų16089%0.88880%0.802SS**  trans-63.7113.8174-171.8-179.826.600110.6Q348 R352Q348-Q350 PolarHBondContact O-N 3.48Å; Q350-R352 PolarHBondContact O-N 3.48Å
351T55.6Low52.6Low119 Ų119157.2 Ų157.273%0.7380%0.796SS**  trans-69.1129.9178.947.50000110.9P349P349-T351 PolarHBondContact O-N 3.12Å
352R63.2Low53.8Low231 Ų231151.3 Ų151.387%0.87279%0.79SS**  trans-71.5131.6170-62.2-176.7-170.6-95.7-0.2107.8Q350 F354Q350-R352 PolarHBondContact O-N 3.48Å; R352-F354 PolarHBondContact O-N 2.98Å
353R65.5Low54.9Low234 Ų234148.4 Ų148.488%0.88379%0.787SS**SBendtrans-64.3-12-166.8-74.9-172.9173.6-175.1-2.3115.9
354F60.8Low55.7Low182 Ų182144 Ų14480%0.79878%0.777SS**SBendtrans-133.1119174.9-59.4-73.5000109.6R352R352-F354 PolarHBondContact O-N 2.98Å
355P65.6Low56.7Low74 Ų74144.4 Ų144.448%0.48178%0.777SS.*  trans-62.1159.8160.9-19.733.5000110.9L360P355-L360 HydrophobicContact CB-CG 4.31Å; P355-L360 HydrophobicContact CG-CD1 4.13Å; P355-L360 HydrophobicContact CG-CG 4.09Å
356G76.1Confident57.3Low51 Ų51145.4 Ų145.453%0.52678%0.782SS.*  trans-67.7172.4165.900000111.8A358 G359G356-A358 PolarHBondContact O-N 3.21Å; G356-G359 PolarHBondContact O-N 3.42Å
357P62.2Low58Low153 Ų153144.9 Ų144.999%0.99479%0.785SS**THydrogen-bonded Turntrans-61.9-12.9-173.723.3-34000115.5
358A66.9Low58.2Low99 Ų99144.8 Ų144.882%0.81879%0.785SS**THydrogen-bonded Turntrans-84-3.917200000114.4G356G356-A358 PolarHBondContact O-N 3.21Å
359G65.7Low57.8Low46 Ų46142.4 Ų142.447%0.47478%0.778SS.*  trans74.4-171.3-178.800000114.8G356G356-G359 PolarHBondContact O-N 3.42Å
360L64.3Low58.5Low145 Ų145142.5 Ų142.576%0.75977%0.771SS**  trans-98.5115.2168.1-81.9166.4000108.7P355P355-L360 HydrophobicContact CB-CG 4.31Å; P355-L360 HydrophobicContact CG-CD1 4.13Å; P355-L360 HydrophobicContact CG-CG 4.09Å
361L54.4Low58.3Low156 Ų156140.5 Ų140.582%0.81777%0.767SS**  trans-62136.7168.9-80.1159.5000110Q363L361-Q363 PolarHBondContact O-N 2.77Å
362P60.5Low58.3Low123 Ų123143.3 Ų143.380%0.79977%0.772SS**  trans-57.1134.2173.6-24.434.3000111.3Q364P362-Q364 PolarHBondContact O-N 3.2Å
363Q55.4Low57.8Low188 Ų188138 Ų13888%0.87976%0.76SS**  trans-79.5115.3175.5-66.4-168.210.600109.8L361L361-Q363 PolarHBondContact O-N 2.77Å
364Q51.5Low57Low155 Ų155132.4 Ų132.472%0.72475%0.751SS**PPolyproline II helixtrans-63.5127174.7-171.3-179.615.700110.2P362 Q366P362-Q364 PolarHBondContact O-N 3.2Å; Q364-Q366 PolarHBondContact O-N 2.89Å
365P55.1Low56.3Low116 Ų116129.5 Ų129.575%0.75375%0.748SS**PPolyproline II helixtrans-59.7132.8170.7-22.734.1000110.6G367P365-G367 PolarHBondContact O-N 2.98Å
366Q46.1Very low55Low202 Ų202130.6 Ų130.694%0.94476%0.757SS**SBendtrans-72.8119-179-68.8-170.3-80.200111.4Q364Q364-Q366 PolarHBondContact O-N 2.89Å
367G59.5Low53.5Low76 Ų76134.1 Ų134.178%0.78477%0.768SS**SBendtrans112.733.5152.300000118.7P365P365-G367 PolarHBondContact O-N 2.98Å
368Q45.8Very low52.6Low190 Ų190132.2 Ų132.289%0.88876%0.756SS**  trans-128.8166.4164.8-68.7-168-13.900112.2
369N43.9Very low51.6Low139 Ų139134.8 Ų134.874%0.74376%0.756SS**  trans-79.8162.5-154.8-150.7-28.9000114
370L54.2Low50.5Low123 Ų123138.9 Ų138.964%0.64477%0.772SS**THydrogen-bonded Turntrans-89.1-5.1-168.2-86.1169.7000115.7E372 I373L370-E372 PolarHBondContact O-N 3.36Å; L370-I373 HydrophobicContact CD2-CD1 4.37Å
371D53.2Low49.6Very low149 Ų149138 Ų13880%0.79777%0.774SS**THydrogen-bonded Turntrans-87.84.3-172.8-63.2-54.9000115.4
372E54Low49.3Very low178 Ų178135.2 Ų135.283%0.83277%0.769SS**  trans-118.348.4177.5-154.6-178.7175.800113.3L370L370-E372 PolarHBondContact O-N 3.36Å
373I53.8Low48.4Very low120 Ų120138.6 Ų138.662%0.61577%0.773SS**  trans-10659.2166.1-46.9-176.8000109.6L370 V375L370-I373 HydrophobicContact CD2-CD1 4.37Å; I373-V375 HydrophobicContact CG2-CG2 4.31Å; I373-V375 PolarHBondContact O-N 3.14Å
374V48.5Very low47.8Very low115 Ų115133.1 Ų133.170%0.69777%0.768SS**  trans-75.494.9172.2-178.80000108.6S376V374-S376 VanDerWaalsContact C-N 3.28Å; V374-S376 PolarHBondContact O-N 2.92Å; V374-S376 PolarHBondContact O-OG 3.02Å
375V44.9Very low47.3Very low122 Ų122130.6 Ų130.674%0.73977%0.773SS**  trans-65.888.8175.7-177.10000109.5I373 V377I373-V375 HydrophobicContact CG2-CG2 4.31Å; I373-V375 PolarHBondContact O-N 3.14Å; V375-V377 PolarHBondContact O-N 2.88Å
376S38.8Very low46.8Very low97 Ų97131.8 Ų131.868%0.67878%0.778SS**  trans-70.7116.1178.6-65.60000109.5V374 P378V374-S376 VanDerWaalsContact C-N 3.28Å; V374-S376 PolarHBondContact O-N 2.92Å; V374-S376 PolarHBondContact O-OG 3.02Å; S376-P378 WeakPolarHBondContact O-CD 3.19Å
377V44.8Very low46.5Very low125 Ų125126 Ų12676%0.75877%0.765SS**  trans-60.5117.5-174.5-178.70000110.9V375 N379V375-V377 PolarHBondContact O-N 2.88Å; V377-N379 PolarHBondContact O-N 3.26Å
378P44.3Very low45.7Very low112 Ų112133.7 Ų133.773%0.72777%0.77SS**  trans-76.7111.8175.8-13.530.4000110.3S376 T380S376-P378 WeakPolarHBondContact O-CD 3.19Å; P378-T380 PolarHBondContact O-N 3.39Å
379N46.1Very low45.2Very low153 Ų153130.8 Ų130.882%0.81876%0.76SS**PPolyproline II helixtrans-61.7130.6172.5-76.9-27.9000110.7V377 P381V377-N379 PolarHBondContact O-N 3.26Å; N379-P381 WeakPolarHBondContact O-CD 3.38Å
380T40.8Very low45Very low133 Ų133130 Ų13082%0.81676%0.762SS**PPolyproline II helixtrans-77.6127.7-176.153.40000113P378P378-T380 PolarHBondContact O-N 3.39Å
381P46.6Very low44Very low125 Ų125129.7 Ų129.781%0.81277%0.771SS**PPolyproline II helixtrans-80153.4150.734-31.2000110.4N379N379-P381 WeakPolarHBondContact O-CD 3.38Å
382S47.5Very low43.1Very low99 Ų99130.2 Ų130.269%0.69277%0.768SS**PPolyproline II helixtrans-88.8155-169.1560000115.5
383H42.8Very low41.9Very low193 Ų193126.8 Ų126.889%0.89476%0.763SS**  trans89.6115.5168.7-55.2-34000117.6
384G41.6Very low41.3Very low74 Ų74125.9 Ų125.976%0.76377%0.767SS**SBendtrans154.8103.3168.300000111.5
385A41.8Very low40.8Very low101 Ų101125.1 Ų125.184%0.83577%0.767SS**  trans31.7101.1169.700000117.8A387A385-A387 VanDerWaalsContact C-N 3.34Å; A385-A387 PolarHBondContact O-N 3.05Å
386V44.9Very low40.3Very low141 Ų141125 Ų12586%0.85577%0.771SS**  trans-68.294.7163.2179.60000108.8R388V386-R388 PolarHBondContact O-N 3.49Å
387A39.2Very low40.2Very low82 Ų82128.5 Ų128.568%0.67878%0.777SS**PPolyproline II helixtrans-59.4119.9157.200000107.2A385 L389A385-A387 VanDerWaalsContact C-N 3.34Å; A385-A387 PolarHBondContact O-N 3.05Å; A387-L389 PolarHBondContact O-N 3.49Å
388R42.8Very low40.2Very low236 Ų236124.7 Ų124.789%0.89176%0.756SS**PPolyproline II helixtrans-59.7126.5168.2-88.2-174.2166.7155.3-2.3107.3V386V386-R388 PolarHBondContact O-N 3.49Å
389L34.3Very low40.6Very low129 Ų129126.5 Ų126.568%0.67576%0.755SS**PPolyproline II helixtrans-53.9150.5166.2-73.276.3000108.2A387 S391A387-L389 PolarHBondContact O-N 3.49Å; L389-S391 PolarHBondContact O-N 2.98Å
390P39.6Very low41Very low122 Ų122126.2 Ų126.279%0.79275%0.748SS**SBendtrans-46.8133.9162-23.433.5000108.4Q392P390-Q392 PolarHBondContact O-N 3.12Å
391S34.4Very low41.9Very low117 Ų117125.7 Ų125.782%0.81874%0.737SS**  trans-52114.2-171.951.20000110.4L389 C393L389-S391 PolarHBondContact O-N 2.98Å; S391-C393 PolarHBondContact O-N 2.91Å
392Q33.5Very low43Very low161 Ų161122.9 Ų122.975%0.75271%0.713SS**  trans-61.197.2159.9-74.3-174.5-2.200106.5P390 S394P390-Q392 PolarHBondContact O-N 3.12Å; Q392-S394 PolarHBondContact O-N 2.84Å
393C29Very low44.2Very low105 Ų105119.6 Ų119.671%0.70969%0.686SS**  trans-53.6125.7139.7179.30000105.4S391 S395S391-C393 PolarHBondContact O-N 2.91Å; C393-S395 PolarHBondContact O-N 3.04Å
394S40.3Very low45.3Very low101 Ų101114.7 Ų114.771%0.70667%0.674SS**  trans-71.762.1177.6-62.40000110.9Q392 S396Q392-S394 PolarHBondContact O-N 2.84Å; S394-S396 PolarHBondContact O-N 3.37Å
395S39.2Very low46.8Very low99 Ų99112.4 Ų112.469%0.69265%0.65SS**  trans-95.850.7174.4-172.80000109.4C393C393-S395 PolarHBondContact O-N 3.04Å
396S33.2Very low48.6Very low120 Ų120110.8 Ų110.884%0.83963%0.632SS**  trans-143.328.7175.3-52.40000110.7S394S394-S396 PolarHBondContact O-N 3.37Å
397Q37.7Very low50.8Low170 Ų170104.3 Ų104.379%0.79459%0.593SS**SBendtrans-86.7142.6151.8-69.5-175.6-38.100107.3E399Q397-E399 PolarHBondContact O-N 2.86Å
398S44.6Very low53.3Low46 Ų46100.6 Ų100.632%0.32256%0.562SS.*  trans-53.5120.9-173.90.80000110.9E400 E401S398-E400 VanDerWaalsContact CB-CG 3.49Å; S398-E400 PolarHBondContact O-N 2.78Å; S398-E401 WeakPolarHBondContact CB-OE2 3.3Å; S398-E401 WeakPolarHBondContact O-CB 3.43Å; S398-E401 PolarHBondContact O-N 3.06Å; S398-E401 PolarHBondContact OG-OE2 3.17Å
399E53Low55.6Low149 Ų14991.7 Ų91.770%0.69654%0.538SS*.Hα-helixtrans-68.5-20.1176.665.3-176.4145.900112.6Q397Q397-E399 PolarHBondContact O-N 2.86Å
400E54.7Low58.3Low147 Ų14787.3 Ų87.369%0.68752%0.521SS*.Hα-helixtrans-68.8-24.7166.159.3-165.6147.900113.7S398 S404S398-E400 VanDerWaalsContact CB-CG 3.49Å; S398-E400 PolarHBondContact O-N 2.78Å; E400-S404 WeakPolarHBondContact O-CB 3.46Å; E400-S404 PolarHBondContact O-N 2.89Å; E400-S404 VanDerWaalsContact O-N 3.09Å; E400-S404 PolarHBondContact O-OG 2.66Å
401E59.5Low60.8Low122 Ų12281.5 Ų81.557%0.5748%0.483SS*.Hα-helixtrans-71.9-39.9178.6-144.683.4-141.100111.2S398 F403 S404 G405S398-E401 WeakPolarHBondContact CB-OE2 3.3Å; S398-E401 WeakPolarHBondContact O-CB 3.43Å; S398-E401 PolarHBondContact O-N 3.06Å; S398-E401 PolarHBondContact OG-OE2 3.17Å; E401-F403 VanDerWaalsContact C-N 3.29Å; E401-F403 PolarHBondContact O-N 3.4Å; E401-S404 CarbonylContact O-C 3.6Å; E401-S404 PolarHBondContact O-N 3.49Å; E401-S404 VanDerWaalsContact O-N 3.16Å; E401-G405 PolarHBondContact O-N 2.96Å
402E68.8Low63.5Low66 Ų6677.7 Ų77.731%0.30845%0.452SS..Hα-helixtrans-57.6-40.1-179.7-105-171.1136.600112.1G405 L454 K470E402-G405 PolarHBondContact O-N 3.37Å; E402-L454 HydrophobicContact CB-CD2 3.81Å; E402-L454 HydrophobicContact CG-CD2 3.76Å; E402-L454 WeakPolarHBondContact OE1-CD2 3.37Å; E402-K470 WeakPolarHBondContact OE2-CD 3.44Å; E402-K470 WeakPolarHBondContact OE2-CE 3.17Å; E402-K470 IonicContact OE2-NZ 2.86Å; E402-K470 PolarHBondContact OE2-NZ 3.11Å
403F73.4Confident66.1Low31 Ų3173.9 Ų73.914%0.13645%0.448CS..Hα-helixtrans-89.9-16.6178.4-62.4-64.1000113.9E401 W408 L454 K470 D471 P472E401-F403 VanDerWaalsContact C-N 3.29Å; E401-F403 PolarHBondContact O-N 3.4Å; F403-W408 HydrophobicContact CD1-CD2 4.05Å; F403-W408 HydrophobicContact CD1-CE3 4.33Å; F403-W408 HydrophobicContact CD1-CG 4.28Å; F403-W408 VanDerWaalsContact O-CD1 3.28Å; F403-L454 HydrophobicContact CE1-CB 4.17Å; F403-L454 HydrophobicContact CE1-CD2 4.19Å; F403-K470 HydrophobicContact CE2-CD 3.86Å; F403-K470 HydrophobicContact CE2-CG 4.38Å; F403-K470 HydrophobicContact CZ-CB 4.37Å; F403-K470 HydrophobicContact CZ-CD 3.56Å; F403-K470 HydrophobicContact CZ-CG 3.75Å; F403-D471 VanDerWaalsContact CZ-O 3.29Å; F403-D471 WeakPolarHBondContact CZ-O 3.31Å; F403-P472 HydrophobicContact CD1-CG 3.94Å; F403-P472 HydrophobicContact CD2-CG 4.37Å; F403-P472 HydrophobicContact CE1-CG 4.08Å; F403-P472 HydrophobicContact CE2-CG 4.46Å; F403-P472 HydrophobicContact CG-CG 4.1Å; F403-P472 HydrophobicContact CZ-CG 4.33Å
404S65.1Low69Low90 Ų9073.7 Ų73.763%0.62944%0.437SS*.Hα-helixtrans-75.1-10.7163.3-58.70000112.3E400 E401E400-S404 WeakPolarHBondContact O-CB 3.46Å; E400-S404 PolarHBondContact O-N 2.89Å; E400-S404 VanDerWaalsContact O-N 3.09Å; E400-S404 PolarHBondContact O-OG 2.66Å; E401-S404 CarbonylContact O-C 3.6Å; E401-S404 PolarHBondContact O-N 3.49Å; E401-S404 VanDerWaalsContact O-N 3.16Å
405G73.3Confident71.1Confident26 Ų2670.7 Ų70.727%0.26841%0.412SS..SBendtrans-57.4143.4177.700000113.9E401 E402 A407 W408 A409E401-G405 PolarHBondContact O-N 2.96Å; E402-G405 PolarHBondContact O-N 3.37Å; G405-A407 PolarHBondContact O-N 2.6Å; G405-A407 VanDerWaalsContact O-N 3.09Å; G405-W408 PolarHBondContact O-N 2.93Å; G405-W408 VanDerWaalsContact O-N 3.07Å; G405-A409 PolarHBondContact O-N 3.15Å
406C80.4Confident73.2Confident67 Ų6769.2 Ų69.245%0.45341%0.413SS..Hα-helixtrans-57.7-29.6-173.463.40000113.9A410 P528C406-A410 WeakPolarHBondContact O-CB 3.4Å; C406-A410 PolarHBondContact O-N 3.12Å; C406-P528 PolarHBondContact SG-O 2.69Å; C406-P528 VanDerWaalsContact SG-O 3.36Å
407A90.7Very high75.6Confident5 Ų564.8 Ų64.84%0.04138%0.379CS..Hα-helixtrans-65.4-42.1176.900000113G405 M411 V497G405-A407 PolarHBondContact O-N 2.6Å; G405-A407 VanDerWaalsContact O-N 3.09Å; A407-M411 WeakPolarHBondContact O-CB 3.38Å; A407-M411 PolarHBondContact O-N 2.89Å; A407-V497 HydrophobicContact CB-CB 4.28Å; A407-V497 HydrophobicContact CB-CG2 3.85Å
408W92Very high77.5Confident4 Ų461 Ų612%0.01536%0.364CS..Hα-helixtrans-72.3-40.2178-171.5-103.3000111F403 G405 M411 K412 E419 L426 A452 D471 P472 V497F403-W408 HydrophobicContact CD1-CD2 4.05Å; F403-W408 HydrophobicContact CD1-CE3 4.33Å; F403-W408 HydrophobicContact CD1-CG 4.28Å; F403-W408 VanDerWaalsContact O-CD1 3.28Å; G405-W408 PolarHBondContact O-N 2.93Å; G405-W408 VanDerWaalsContact O-N 3.07Å; W408-M411 HydrophobicContact CD2-CE 3.71Å; W408-M411 HydrophobicContact CE3-CE 3.6Å; W408-M411 HydrophobicContact CG-CE 4.44Å; W408-M411 HydrophobicContact CH2-CE 3.9Å; W408-M411 HydrophobicContact CZ2-CE 4.01Å; W408-M411 HydrophobicContact CZ3-CE 3.7Å; W408-M411 PolarHBondContact O-N 2.91Å; W408-K412 VanDerWaalsContact CD1-CE 3.49Å; W408-K412 WeakPolarHBondContact O-CG 3.44Å; W408-K412 PolarHBondContact O-N 3.02Å; W408-E419 PolarHBondContact NE1-OE1 2.87Å; W408-L426 HydrophobicContact CH2-CD2 4.23Å; W408-L426 HydrophobicContact CZ2-CD2 4.39Å; W408-A452 HydrophobicContact CH2-CB 4.3Å; W408-A452 HydrophobicContact CZ3-CB 4.17Å; W408-D471 HydrophobicContact CH2-CB 4.48Å; W408-P472 HydrophobicContact CH2-CG 4.47Å; W408-P472 HydrophobicContact CZ2-CG 3.79Å; W408-V497 HydrophobicContact CB-CG2 4.16Å; W408-V497 HydrophobicContact CE3-CG1 3.77Å; W408-V497 HydrophobicContact CE3-CG2 3.91Å; W408-V497 HydrophobicContact CZ3-CG1 4.12Å
409A90.3Very high78.9Confident48 Ų4863 Ų6340%0.39737%0.369SS..Hα-helixtrans-62.4-44.9173.800000112.6G405 K412 A413G405-A409 PolarHBondContact O-N 3.15Å; A409-K412 PolarHBondContact O-N 3.33Å; A409-A413 WeakPolarHBondContact O-CB 3.38Å; A409-A413 PolarHBondContact O-N 3.46Å
410A90.9Very high80Confident38 Ų3866.4 Ų66.431%0.31438%0.375SS..Hα-helixtrans-64.4-40.5177.200000112.3C406 A413 E414 Y526C406-A410 WeakPolarHBondContact O-CB 3.4Å; C406-A410 PolarHBondContact O-N 3.12Å; A410-A413 PolarHBondContact O-N 3.21Å; A410-E414 WeakPolarHBondContact O-CB 3.34Å; A410-E414 PolarHBondContact O-N 3.49Å; A410-Y526 HydrophobicContact CB-CD1 4.19Å
411M92.6Very high81.3Confident0 Ų063 Ų630%036%0.362CS..Hα-helixtrans-60-48174.5-179.3-81.5-62.100111.9A407 W408 A413 M415 L417 L426 A452 V497 Y526A407-M411 WeakPolarHBondContact O-CB 3.38Å; A407-M411 PolarHBondContact O-N 2.89Å; W408-M411 HydrophobicContact CD2-CE 3.71Å; W408-M411 HydrophobicContact CE3-CE 3.6Å; W408-M411 HydrophobicContact CG-CE 4.44Å; W408-M411 HydrophobicContact CH2-CE 3.9Å; W408-M411 HydrophobicContact CZ2-CE 4.01Å; W408-M411 HydrophobicContact CZ3-CE 3.7Å; W408-M411 PolarHBondContact O-N 2.91Å; M411-A413 PolarHBondContact O-N 3.02Å; M411-M415 WeakPolarHBondContact O-CB 3.2Å; M411-M415 WeakPolarHBondContact O-CG 3.38Å; M411-M415 PolarHBondContact O-N 2.93Å; M411-M415 VanDerWaalsContact O-N 3.12Å; M411-L417 HydrophobicContact SD-CD1 3.97Å; M411-L426 HydrophobicContact CE-CD2 4.16Å; M411-A452 HydrophobicContact CE-CB 3.8Å; M411-A452 HydrophobicContact SD-CB 3.96Å; M411-V497 HydrophobicContact CB-CG1 4.23Å; M411-V497 HydrophobicContact CE-CG1 4.32Å; M411-V497 HydrophobicContact CG-CG1 4.1Å; M411-Y526 HydrophobicContact CB-CD1 4.29Å; M411-Y526 HydrophobicContact CB-CD2 3.7Å; M411-Y526 HydrophobicContact CB-CE1 4.2Å; M411-Y526 HydrophobicContact CB-CE2 3.59Å; M411-Y526 HydrophobicContact CB-CG 4.06Å; M411-Y526 HydrophobicContact CG-CD2 3.92Å; M411-Y526 HydrophobicContact CG-CE2 3.5Å; M411-Y526 VanDerWaalsContact CG-CE2 3.5Å
412K90.6Very high82.2Confident37 Ų3763.9 Ų63.916%0.16137%0.369CS..Hα-helixtrans-61.1-44.9175.7-72-175.8-64.6-173.10112.1W408 A409 G416 L417 E419 L426W408-K412 VanDerWaalsContact CD1-CE 3.49Å; W408-K412 WeakPolarHBondContact O-CG 3.44Å; W408-K412 PolarHBondContact O-N 3.02Å; A409-K412 PolarHBondContact O-N 3.33Å; K412-G416 PolarHBondContact O-N 2.8Å; K412-G416 VanDerWaalsContact O-N 3.09Å; K412-L417 PolarHBondContact O-N 2.95Å; K412-E419 VanDerWaalsContact CD-CD 3.45Å; K412-E419 HydrophobicContact CD-CG 3.91Å; K412-E419 VanDerWaalsContact CD-OE1 3.25Å; K412-E419 WeakPolarHBondContact CD-OE1 3.06Å; K412-E419 WeakPolarHBondContact CE-OE1 3.25Å; K412-E419 IonicContact NZ-OE1 3.83Å; K412-E419 PolarHBondContact NZ-OE1 3.28Å; K412-E419 IonicContact NZ-OE2 3.6Å; K412-E419 PolarHBondContact NZ-OE2 2.78Å; K412-L426 HydrophobicContact CG-CD1 4.3Å
413A89.2Confident82.6Confident81 Ų8165.2 Ų65.267%0.66939%0.386SS*.Hα-helixtrans-66.3-43.3-17800000113.1A409 A410 M411 G416A409-A413 WeakPolarHBondContact O-CB 3.38Å; A409-A413 PolarHBondContact O-N 3.46Å; A410-A413 PolarHBondContact O-N 3.21Å; M411-A413 PolarHBondContact O-N 3.02Å; A413-G416 PolarHBondContact O-N 3.29Å
414E88.8Confident83.3Confident101 Ų10164.4 Ų64.447%0.47238%0.384SS..Hα-helixtrans-70.4-37.3179.2-168-174.1-168.600112.1A410 G416 R524 Y526A410-E414 WeakPolarHBondContact O-CB 3.34Å; A410-E414 PolarHBondContact O-N 3.49Å; E414-G416 VanDerWaalsContact C-N 3.3Å; E414-G416 PolarHBondContact O-N 3.4Å; E414-R524 VanDerWaalsContact CD-CZ 3.47Å; E414-R524 IonicContact OE1-CZ 3.22Å; E414-R524 IonicContact OE1-NE 3.62Å; E414-R524 IonicContact OE1-NH1 2.89Å; E414-R524 PolarHBondContact OE1-NH1 3.35Å; E414-R524 IonicContact OE1-NH2 3.77Å; E414-R524 PolarHBondContact OE1-NH2 3.23Å; E414-R524 IonicContact OE2-CZ 2.66Å; E414-R524 VanDerWaalsContact OE2-CZ 3.22Å; E414-R524 IonicContact OE2-NE 2.93Å; E414-R524 IonicContact OE2-NH1 2.69Å; E414-R524 PolarHBondContact OE2-NH1 2.94Å; E414-R524 IonicContact OE2-NH2 2.97Å; E414-Y526 WeakPolarHBondContact OE2-CE1 3.4Å; E414-Y526 VanDerWaalsContact OE2-CZ 3.29Å; E414-Y526 PolarHBondContact OE2-OH 3.12Å
415M84.9Confident84.6Confident37 Ų3761 Ų6118%0.18236%0.358CS..THydrogen-bonded Turntrans-84.4-0.2179.7-62-58.3-59.100113.6M411 L417 L499 L542M411-M415 WeakPolarHBondContact O-CB 3.2Å; M411-M415 WeakPolarHBondContact O-CG 3.38Å; M411-M415 PolarHBondContact O-N 2.93Å; M411-M415 VanDerWaalsContact O-N 3.12Å; M415-L417 VanDerWaalsContact C-N 3.31Å; M415-L417 HydrophobicContact CB-CD1 3.61Å; M415-L417 HydrophobicContact CB-CG 3.66Å; M415-L417 HydrophobicContact CG-CD1 4.41Å; M415-L417 PolarHBondContact O-N 2.84Å; M415-L499 HydrophobicContact CE-CD2 4.02Å; M415-L499 HydrophobicContact CG-CD2 4.11Å; M415-L499 HydrophobicContact SD-CD2 3.62Å; M415-L542 HydrophobicContact CE-CD1 3.53Å; M415-L542 HydrophobicContact CE-CD2 4.24Å; M415-L542 HydrophobicContact CE-CG 3.77Å
416G83.8Confident85.4Confident69 Ų6960.6 Ų60.671%0.71135%0.35SS*.THydrogen-bonded Turntrans65.227.9-179.700000114.6K412 A413 E414K412-G416 PolarHBondContact O-N 2.8Å; K412-G416 VanDerWaalsContact O-N 3.09Å; A413-G416 PolarHBondContact O-N 3.29Å; E414-G416 VanDerWaalsContact C-N 3.3Å; E414-G416 PolarHBondContact O-N 3.4Å
417L84.6Confident85.9Confident27 Ų2760.6 Ų60.614%0.14134%0.343CS..  trans-90.8115.2-170.4-59.9169.7000111.9M411 K412 M415 C424 F425 L426M411-L417 HydrophobicContact SD-CD1 3.97Å; K412-L417 PolarHBondContact O-N 2.95Å; M415-L417 VanDerWaalsContact C-N 3.31Å; M415-L417 HydrophobicContact CB-CD1 3.61Å; M415-L417 HydrophobicContact CB-CG 3.66Å; M415-L417 HydrophobicContact CG-CD1 4.41Å; M415-L417 PolarHBondContact O-N 2.84Å; L417-C424 HydrophobicContact CD2-CB 4.32Å; L417-F425 HydrophobicContact CD1-CD1 4.47Å; L417-F425 HydrophobicContact CD1-CE1 3.54Å; L417-F425 HydrophobicContact CD1-CZ 3.66Å; L417-F425 HydrophobicContact CD2-CD1 4.12Å; L417-F425 HydrophobicContact CD2-CE1 3.82Å; L417-F425 HydrophobicContact CG-CE1 4.3Å; L417-L426 HydrophobicContact CB-CD1 4.23Å; L417-L426 HydrophobicContact CD1-CD1 3.96Å; L417-L426 HydrophobicContact CD1-CD2 4.3Å; L417-L426 HydrophobicContact CD1-CG 4.09Å
418D76.1Confident85.9Confident89 Ų8962.7 Ų62.748%0.47636%0.355SS..  trans-88128.1167.1-174.12.4000110.6R420 N421D418-R420 PolarHBondContact O-N 3.41Å; D418-R420 WeakPolarHBondContact OD1-CB 3.45Å; D418-R420 PolarHBondContact OD1-N 3.07Å; D418-N421 HydrophobicContact CB-CB 4.34Å; D418-N421 WeakPolarHBondContact O-CB 3.33Å; D418-N421 PolarHBondContact O-N 3.32Å; D418-N421 VanDerWaalsContact O-N 3.13Å
419E74.7Confident86Confident88 Ų8865 Ų6541%0.41136%0.364SS..THydrogen-bonded Turntrans-70.6-13.5173.7-79.1162.6152.300112.9W408 K412 N421 H427W408-E419 PolarHBondContact NE1-OE1 2.87Å; K412-E419 VanDerWaalsContact CD-CD 3.45Å; K412-E419 HydrophobicContact CD-CG 3.91Å; K412-E419 VanDerWaalsContact CD-OE1 3.25Å; K412-E419 WeakPolarHBondContact CD-OE1 3.06Å; K412-E419 WeakPolarHBondContact CE-OE1 3.25Å; K412-E419 IonicContact NZ-OE1 3.83Å; K412-E419 PolarHBondContact NZ-OE1 3.28Å; K412-E419 IonicContact NZ-OE2 3.6Å; K412-E419 PolarHBondContact NZ-OE2 2.78Å; E419-N421 VanDerWaalsContact C-N 3.27Å; E419-H427 PolarHBondContact O-CE1 3.47Å
420R75.4Confident86.3Confident222 Ų22263 Ų6384%0.83835%0.347SS*.THydrogen-bonded Turntrans-79.5-11.9170-60.1174.3175168.5-0.3112.7D418 L422D418-R420 PolarHBondContact O-N 3.41Å; D418-R420 WeakPolarHBondContact OD1-CB 3.45Å; D418-R420 PolarHBondContact OD1-N 3.07Å; R420-L422 PolarHBondContact O-N 2.63Å
421N82Confident86.6Confident75 Ų7561.1 Ų61.140%0.40133%0.332SS..  trans-90.4105.2179.8-167.8-53.1000111.2D418 E419 S423 C424 H427D418-N421 HydrophobicContact CB-CB 4.34Å; D418-N421 WeakPolarHBondContact O-CB 3.33Å; D418-N421 PolarHBondContact O-N 3.32Å; D418-N421 VanDerWaalsContact O-N 3.13Å; E419-N421 VanDerWaalsContact C-N 3.27Å; N421-S423 VanDerWaalsContact C-N 3.25Å; N421-S423 PolarHBondContact O-N 3.19Å; N421-S423 PolarHBondContact OD1-N 3.41Å; N421-S423 PolarHBondContact OD1-OG 2.77Å; N421-C424 WeakPolarHBondContact O-CB 3.47Å; N421-C424 PolarHBondContact O-N 2.88Å; N421-C424 PolarHBondContact O-SG 2.71Å; N421-C424 PolarHBondContact OD1-N 3.37Å; N421-H427 PolarHBondContact O-ND1 3.08Å; N421-H427 VanDerWaalsContact O-ND1 3.11Å
422L79.1Confident86.7Confident140 Ų14064.6 Ų64.673%0.73335%0.353SS*.THydrogen-bonded Turntrans-68.2-17.5-179-62177.9000114.3R420R420-L422 PolarHBondContact O-N 2.63Å
423S77.9Confident87Confident95 Ų9566 Ų6666%0.66436%0.361SS*.THydrogen-bonded Turntrans-88.2-3.9176.172.20000113.5N421 T428N421-S423 VanDerWaalsContact C-N 3.25Å; N421-S423 PolarHBondContact O-N 3.19Å; N421-S423 PolarHBondContact OD1-N 3.41Å; N421-S423 PolarHBondContact OD1-OG 2.77Å; S423-T428 PolarHBondContact O-OG1 3.05Å
424C87.4Confident87.3Confident14 Ų1462.1 Ų62.110%0.09533%0.329CS..SBendtrans-65.6155.7175.485.90000111.5L417 N421 L426 H427 T428L417-C424 HydrophobicContact CD2-CB 4.32Å; N421-C424 WeakPolarHBondContact O-CB 3.47Å; N421-C424 PolarHBondContact O-N 2.88Å; N421-C424 PolarHBondContact O-SG 2.71Å; N421-C424 PolarHBondContact OD1-N 3.37Å; C424-L426 PolarHBondContact O-N 2.77Å; C424-H427 PolarHBondContact O-N 2.96Å; C424-H427 PolarHBondContact SG-ND1 2.94Å; C424-T428 PolarHBondContact O-N 3.19Å; C424-T428 PolarHBondContact O-OG1 2.69Å
425F91.1Very high87.7Confident18 Ų1859.7 Ų59.78%0.07932%0.319CS..Hα-helixtrans-68.9-21.2-174.973.6-97.7000113L417 H427 T428 Y429 N450 A452 L499 L542L417-F425 HydrophobicContact CD1-CD1 4.47Å; L417-F425 HydrophobicContact CD1-CE1 3.54Å; L417-F425 HydrophobicContact CD1-CZ 3.66Å; L417-F425 HydrophobicContact CD2-CD1 4.12Å; L417-F425 HydrophobicContact CD2-CE1 3.82Å; L417-F425 HydrophobicContact CG-CE1 4.3Å; F425-H427 PolarHBondContact O-N 3.17Å; F425-T428 PolarHBondContact O-N 2.8Å; F425-Y429 HydrophobicContact CB-CD2 4.47Å; F425-Y429 WeakPolarHBondContact O-CA 3.41Å; F425-Y429 PolarHBondContact O-N 3.41Å; F425-N450 HydrophobicContact CB-CB 4.17Å; F425-N450 HydrophobicContact CD1-CB 4.33Å; F425-N450 HydrophobicContact CD2-CB 4.03Å; F425-N450 HydrophobicContact CG-CB 3.92Å; F425-A452 HydrophobicContact CE2-CB 3.92Å; F425-A452 HydrophobicContact CZ-CB 4.42Å; F425-L499 HydrophobicContact CE2-CD1 4.09Å; F425-L499 HydrophobicContact CZ-CD1 3.62Å; F425-L542 HydrophobicContact CD1-CD1 4.17Å; F425-L542 HydrophobicContact CE1-CD1 3.98Å
426L91.3Very high88.2Confident18 Ų1865.8 Ų65.89%0.09434%0.34CS..Hα-helixtrans-61.7-33.2174.5-54.8177.2000111.8W408 M411 K412 L417 C424 S430 A452W408-L426 HydrophobicContact CH2-CD2 4.23Å; W408-L426 HydrophobicContact CZ2-CD2 4.39Å; M411-L426 HydrophobicContact CE-CD2 4.16Å; K412-L426 HydrophobicContact CG-CD1 4.3Å; L417-L426 HydrophobicContact CB-CD1 4.23Å; L417-L426 HydrophobicContact CD1-CD1 3.96Å; L417-L426 HydrophobicContact CD1-CD2 4.3Å; L417-L426 HydrophobicContact CD1-CG 4.09Å; C424-L426 PolarHBondContact O-N 2.77Å; L426-S430 WeakPolarHBondContact O-CA 3.21Å; L426-S430 VanDerWaalsContact O-CB 3.23Å; L426-S430 WeakPolarHBondContact O-CB 3.35Å; L426-S430 PolarHBondContact O-N 2.93Å; L426-A452 HydrophobicContact CD2-CB 3.7Å
427H90.1Very high88.8Confident66 Ų6664.7 Ų64.731%0.30632%0.316SS..Hα-helixtrans-88.1-47.4173.2-64.1111.4000111.9E419 N421 C424 F425 Y429E419-H427 PolarHBondContact O-CE1 3.47Å; N421-H427 PolarHBondContact O-ND1 3.08Å; N421-H427 VanDerWaalsContact O-ND1 3.11Å; C424-H427 PolarHBondContact O-N 2.96Å; C424-H427 PolarHBondContact SG-ND1 2.94Å; F425-H427 PolarHBondContact O-N 3.17Å; H427-Y429 VanDerWaalsContact C-N 3.26Å; H427-Y429 PolarHBondContact O-N 3.15Å
428T91.9Very high89.3Confident49 Ų4963.8 Ų63.830%0.30131%0.312SS..Hα-helixtrans-60.9-34-176.3-53.30000113.2S423 C424 F425S423-T428 PolarHBondContact O-OG1 3.05Å; C424-T428 PolarHBondContact O-N 3.19Å; C424-T428 PolarHBondContact O-OG1 2.69Å; F425-T428 PolarHBondContact O-N 2.8Å
429Y94.3Very high90.3Very high52 Ų5261.7 Ų61.720%0.20431%0.307CS..THydrogen-bonded Turntrans-130.936.8-177.6-64.6-67.7000112.3F425 H427 V434 K437 V448 P449 N450F425-Y429 HydrophobicContact CB-CD2 4.47Å; F425-Y429 WeakPolarHBondContact O-CA 3.41Å; F425-Y429 PolarHBondContact O-N 3.41Å; H427-Y429 VanDerWaalsContact C-N 3.26Å; H427-Y429 PolarHBondContact O-N 3.15Å; Y429-V434 WeakPolarHBondContact O-CG2 3.35Å; Y429-K437 HydrophobicContact CD1-CD 4.45Å; Y429-K437 HydrophobicContact CE1-CD 4.3Å; Y429-V448 HydrophobicContact CD1-CG1 3.74Å; Y429-V448 HydrophobicContact CG-CG1 3.77Å; Y429-P449 HydrophobicContact CE1-CG 4.32Å; Y429-P449 HydrophobicContact CE2-CB 4.39Å; Y429-P449 HydrophobicContact CE2-CG 4.01Å; Y429-N450 WeakPolarHBondContact CB-O 3.17Å
430S95.6Very high91.3Very high6 Ų662.1 Ų62.14%0.04231%0.312CS..  trans-57.5161.1166.8720000112L426 V432 M433 V434 D471 T473L426-S430 WeakPolarHBondContact O-CA 3.21Å; L426-S430 VanDerWaalsContact O-CB 3.23Å; L426-S430 WeakPolarHBondContact O-CB 3.35Å; L426-S430 PolarHBondContact O-N 2.93Å; S430-V432 VanDerWaalsContact C-N 3.31Å; S430-V432 PolarHBondContact O-N 3.47Å; S430-M433 CarbonylContact O-C 3.58Å; S430-M433 PolarHBondContact O-N 2.84Å; S430-M433 WeakPolarHBondContact OG-CB 3.31Å; S430-M433 WeakPolarHBondContact OG-CG 3.15Å; S430-M433 PolarHBondContact OG-N 3.24Å; S430-V434 WeakPolarHBondContact O-CB 3.38Å; S430-V434 WeakPolarHBondContact O-CG2 3.47Å; S430-V434 PolarHBondContact O-N 2.86Å; S430-D471 WeakPolarHBondContact CA-OD2 3.43Å; S430-D471 WeakPolarHBondContact CB-OD2 3.44Å; S430-T473 WeakPolarHBondContact CB-OG1 3.26Å
431V96.6Very high92.1Very high0 Ų060.1 Ų60.10%031%0.31CS..Hα-helixtrans-53.9-47.2177170.60000111M433 V434 L435 M451 V453 D471 T473 I476V431-M433 VanDerWaalsContact C-N 3.34Å; V431-M433 PolarHBondContact O-N 3.05Å; V431-V434 PolarHBondContact O-N 2.86Å; V431-L435 HydrophobicContact CG1-CD1 3.8Å; V431-L435 HydrophobicContact CG1-CG 4.22Å; V431-L435 WeakPolarHBondContact O-CB 3.44Å; V431-L435 VanDerWaalsContact O-CG 3.22Å; V431-L435 WeakPolarHBondContact O-CG 3.47Å; V431-L435 PolarHBondContact O-N 2.85Å; V431-M451 HydrophobicContact CB-CE 4.45Å; V431-M451 HydrophobicContact CG2-CE 3.68Å; V431-V453 HydrophobicContact CG2-CG1 4.36Å; V431-D471 WeakPolarHBondContact CB-OD1 3.19Å; V431-D471 HydrophobicContact CG2-CB 3.85Å; V431-D471 VanDerWaalsContact CG2-CG 3.44Å; V431-D471 PolarHBondContact N-OD2 3.07Å; V431-T473 PolarHBondContact N-OG1 2.96Å; V431-I476 HydrophobicContact CG1-CB 3.85Å; V431-I476 HydrophobicContact CG1-CG2 4.02Å; V431-I476 HydrophobicContact CG2-CG2 3.93Å
432V95.9Very high92.7Very high73 Ų7362.2 Ų62.244%0.44232%0.317SS..Hα-helixtrans-62.9-39.1177.6170.20000112.1S430 R436 T473S430-V432 VanDerWaalsContact C-N 3.31Å; S430-V432 PolarHBondContact O-N 3.47Å; V432-R436 VanDerWaalsContact O-CB 3.31Å; V432-R436 WeakPolarHBondContact O-CB 3.35Å; V432-R436 PolarHBondContact O-N 3.13Å; V432-T473 WeakPolarHBondContact CG2-O 3.5Å; V432-T473 PolarHBondContact N-OG1 3Å; V432-T473 VanDerWaalsContact N-OG1 3.08Å
433M96Very high93.4Very high65 Ų6555.9 Ų55.932%0.3228%0.284SS..Hα-helixtrans-71.1-36.2177-73.9-64.1-76.200112.5S430 V431 K437S430-M433 CarbonylContact O-C 3.58Å; S430-M433 PolarHBondContact O-N 2.84Å; S430-M433 WeakPolarHBondContact OG-CB 3.31Å; S430-M433 WeakPolarHBondContact OG-CG 3.15Å; S430-M433 PolarHBondContact OG-N 3.24Å; V431-M433 VanDerWaalsContact C-N 3.34Å; V431-M433 PolarHBondContact O-N 3.05Å; M433-K437 VanDerWaalsContact O-CB 3.3Å; M433-K437 WeakPolarHBondContact O-CB 3.33Å; M433-K437 WeakPolarHBondContact O-CD 3.17Å; M433-K437 WeakPolarHBondContact O-CG 3.23Å; M433-K437 PolarHBondContact O-N 3.45Å
434V96.9Very high94.1Very high0 Ų055.2 Ų55.20%028%0.277CS..Hα-helixtrans-66.5-45.4174168.70000110.7Y429 S430 V431 K437 A438 L443 V448 M451 I476 V505Y429-V434 WeakPolarHBondContact O-CG2 3.35Å; S430-V434 WeakPolarHBondContact O-CB 3.38Å; S430-V434 WeakPolarHBondContact O-CG2 3.47Å; S430-V434 PolarHBondContact O-N 2.86Å; V431-V434 PolarHBondContact O-N 2.86Å; V434-K437 PolarHBondContact O-N 2.93Å; V434-A438 WeakPolarHBondContact O-CB 3.42Å; V434-A438 PolarHBondContact O-N 3.13Å; V434-L443 HydrophobicContact CG1-CD1 4.35Å; V434-V448 HydrophobicContact CB-CG2 4.37Å; V434-V448 HydrophobicContact CG1-CG2 3.72Å; V434-V448 HydrophobicContact CG2-CB 4.46Å; V434-V448 HydrophobicContact CG2-CG1 3.88Å; V434-V448 HydrophobicContact CG2-CG2 3.67Å; V434-M451 HydrophobicContact CB-CE 4.28Å; V434-M451 HydrophobicContact CG2-CE 3.95Å; V434-M451 HydrophobicContact CG2-SD 4.24Å; V434-I476 HydrophobicContact CG1-CD1 4.48Å; V434-V505 HydrophobicContact CG1-CG2 3.97Å
435L96.6Very high94.4Very high51 Ų5165.8 Ų65.827%0.26732%0.315SS..Hα-helixtrans-59.8-47.4174.4-70.8172.4000111.4V431 A438 A439 I476 H513V431-L435 HydrophobicContact CG1-CD1 3.8Å; V431-L435 HydrophobicContact CG1-CG 4.22Å; V431-L435 WeakPolarHBondContact O-CB 3.44Å; V431-L435 VanDerWaalsContact O-CG 3.22Å; V431-L435 WeakPolarHBondContact O-CG 3.47Å; V431-L435 PolarHBondContact O-N 2.85Å; L435-A438 PolarHBondContact O-N 3.42Å; L435-A439 WeakPolarHBondContact O-CB 3.43Å; L435-A439 PolarHBondContact O-N 3.28Å; L435-I476 HydrophobicContact CD2-CD1 3.77Å; L435-I476 HydrophobicContact CD2-CG1 4.17Å; L435-I476 HydrophobicContact CG-CD1 4.36Å; L435-H513 HydrophobicContact CD2-CB 3.7Å
436R95.8Very high94.6Very high164 Ų16469.4 Ų69.462%0.61934%0.335SS*.Hα-helixtrans-60.7-46.9176.7-176.2177.1179.6176.70.4112V432 L440V432-R436 VanDerWaalsContact O-CB 3.31Å; V432-R436 WeakPolarHBondContact O-CB 3.35Å; V432-R436 PolarHBondContact O-N 3.13Å; R436-L440 HydrophobicContact CG-CD1 4.22Å; R436-L440 WeakPolarHBondContact O-CB 3.49Å; R436-L440 WeakPolarHBondContact O-CG 3.29Å; R436-L440 PolarHBondContact O-N 2.88Å
437K95.6Very high94.8Very high46 Ų4672.1 Ų72.120%0.235%0.346CS..Hα-helixtrans-65-38.3176.8-72.4166.4-179.2-76.20111.6Y429 M433 V434 L440 K441 Q442 L443Y429-K437 HydrophobicContact CD1-CD 4.45Å; Y429-K437 HydrophobicContact CE1-CD 4.3Å; M433-K437 VanDerWaalsContact O-CB 3.3Å; M433-K437 WeakPolarHBondContact O-CB 3.33Å; M433-K437 WeakPolarHBondContact O-CD 3.17Å; M433-K437 WeakPolarHBondContact O-CG 3.23Å; M433-K437 PolarHBondContact O-N 3.45Å; V434-K437 PolarHBondContact O-N 2.93Å; K437-L440 CarbonylContact O-C 3.58Å; K437-L440 PolarHBondContact O-N 2.83Å; K437-K441 CarbonylContact O-C 3.5Å; K437-K441 PolarHBondContact O-N 2.91Å; K437-Q442 HydrophobicContact CB-CB 4.23Å; K437-Q442 HydrophobicContact CG-CB 4.39Å; K437-Q442 PolarHBondContact O-N 3.2Å; K437-L443 HydrophobicContact CB-CD2 3.62Å; K437-L443 HydrophobicContact CB-CG 3.8Å; K437-L443 HydrophobicContact CD-CD2 3.95Å; K437-L443 HydrophobicContact CG-CD2 4.41Å
438A96.1Very high95.1Very high8 Ų869 Ų697%0.06633%0.332CS..Hα-helixtrans-68.1-45.8179.200000112.4V434 L435 L440 K441 L443 V505 H513V434-A438 WeakPolarHBondContact O-CB 3.42Å; V434-A438 PolarHBondContact O-N 3.13Å; L435-A438 PolarHBondContact O-N 3.42Å; A438-L440 VanDerWaalsContact C-N 3.25Å; A438-L440 PolarHBondContact O-N 2.8Å; A438-K441 PolarHBondContact O-N 3.23Å; A438-L443 HydrophobicContact CB-CD1 3.86Å; A438-V505 HydrophobicContact CB-CG1 3.99Å; A438-H513 WeakPolarHBondContact CB-ND1 3.3Å
439A95.7Very high95.3Very high45 Ų4568.8 Ų68.837%0.37233%0.331SS..Hα-helixtrans-59.3-36.7175.500000112.4L435 H513L435-A439 WeakPolarHBondContact O-CB 3.43Å; L435-A439 PolarHBondContact O-N 3.28Å; A439-H513 PolarHBondContact N-CE1 3.13Å
440L95.4Very high95.3Very high98 Ų9868 Ų6851%0.51333%0.331SS..THydrogen-bonded Turntrans-86.82.1176.1-61.8174.8000114R436 K437 A438 Q442R436-L440 HydrophobicContact CG-CD1 4.22Å; R436-L440 WeakPolarHBondContact O-CB 3.49Å; R436-L440 WeakPolarHBondContact O-CG 3.29Å; R436-L440 PolarHBondContact O-N 2.88Å; K437-L440 CarbonylContact O-C 3.58Å; K437-L440 PolarHBondContact O-N 2.83Å; A438-L440 VanDerWaalsContact C-N 3.25Å; A438-L440 PolarHBondContact O-N 2.8Å; L440-Q442 HydrophobicContact CB-CG 3.81Å; L440-Q442 PolarHBondContact O-N 2.87Å
441K93.5Very high95.3Very high180 Ų18067.8 Ų67.878%0.78333%0.329SS*.THydrogen-bonded Turntrans55.426.2-174.8-57.5-178.7179.6178.30115.1K437 A438 L443K437-K441 CarbonylContact O-C 3.5Å; K437-K441 PolarHBondContact O-N 2.91Å; A438-K441 PolarHBondContact O-N 3.23Å; K441-L443 VanDerWaalsContact C-N 3.31Å; K441-L443 PolarHBondContact O-N 3Å
442Q94.6Very high95.3Very high118 Ų11868 Ų6855%0.55133%0.331SS*.  trans-86.312.5-179.9-64.6175.8-11.400114K437 L440K437-Q442 HydrophobicContact CB-CB 4.23Å; K437-Q442 HydrophobicContact CG-CB 4.39Å; K437-Q442 PolarHBondContact O-N 3.2Å; L440-Q442 HydrophobicContact CB-CG 3.81Å; L440-Q442 PolarHBondContact O-N 2.87Å
443L93.4Very high95.3Very high7 Ų764.5 Ų64.54%0.03731%0.31CS..SBendtrans-92.8114.8175.1-69.5178.3000110.1V434 K437 A438 K441 R445 N446 V448 V505V434-L443 HydrophobicContact CG1-CD1 4.35Å; K437-L443 HydrophobicContact CB-CD2 3.62Å; K437-L443 HydrophobicContact CB-CG 3.8Å; K437-L443 HydrophobicContact CD-CD2 3.95Å; K437-L443 HydrophobicContact CG-CD2 4.41Å; A438-L443 HydrophobicContact CB-CD1 3.86Å; K441-L443 VanDerWaalsContact C-N 3.31Å; K441-L443 PolarHBondContact O-N 3Å; L443-R445 PolarHBondContact O-N 2.92Å; L443-N446 PolarHBondContact O-N 2.84Å; L443-V448 HydrophobicContact CD1-CG2 4.31Å; L443-V448 HydrophobicContact CD2-CG2 4.3Å; L443-V505 HydrophobicContact CD1-CB 3.89Å; L443-V505 HydrophobicContact CD1-CG1 4.32Å; L443-V505 HydrophobicContact CD1-CG2 3.61Å
444P92.4Very high95.3Very high82 Ų8261.6 Ų61.653%0.53230%0.295SS..G310 helixtrans-61125.3-178.525.3-33.5000110.1N446 K447P444-N446 PolarHBondContact O-N 3.39Å; P444-N446 VanDerWaalsContact O-N 3.14Å; P444-K447 PolarHBondContact O-N 2.94Å
445R93.5Very high95.3Very high235 Ų23561.6 Ų61.689%0.88730%0.295SS*.G310 helixtrans56.924.3-176.8-44175.189.6157.86113.3L443 K447L443-R445 PolarHBondContact O-N 2.92Å; R445-K447 PolarHBondContact O-N 2.79Å
446N95Very high95.2Very high94 Ų9463 Ų6350%0.50330%0.299SS..G310 helixtrans54.434-170.6-60.5-32.5000114L443 P444 V505L443-N446 PolarHBondContact O-N 2.84Å; P444-N446 PolarHBondContact O-N 3.39Å; P444-N446 VanDerWaalsContact O-N 3.14Å; N446-V505 PolarHBondContact O-N 3.44Å
447K96.4Very high95.2Very high76 Ų7657.2 Ų57.233%0.3328%0.284SS..EExtended strand (participates in β ladder)trans-119.5146-178.9-74.1-179.1160.8-154.50112.8P444 R445 Q502 V503P444-K447 PolarHBondContact O-N 2.94Å; R445-K447 PolarHBondContact O-N 2.79Å; K447-Q502 HydrophobicContact CD-CB 4.21Å; K447-Q502 WeakPolarHBondContact CD-O 3.38Å; K447-Q502 WeakPolarHBondContact CE-O 3.49Å; K447-Q502 WeakPolarHBondContact CG-O 3.18Å; K447-V503 CarbonylContact C-O 3.5Å; K447-V503 VanDerWaalsContact CA-O 3.3Å; K447-V503 WeakPolarHBondContact CA-O 3.45Å
448V96.6Very high95.2Very high0 Ų056.8 Ų56.80%028%0.283CS..EExtended strand (participates in β ladder)trans-98.4121.1170.2-174.40000108.7Y429 V434 L443 M451 Q502 V503 V505Y429-V448 HydrophobicContact CD1-CG1 3.74Å; Y429-V448 HydrophobicContact CG-CG1 3.77Å; V434-V448 HydrophobicContact CB-CG2 4.37Å; V434-V448 HydrophobicContact CG1-CG2 3.72Å; V434-V448 HydrophobicContact CG2-CB 4.46Å; V434-V448 HydrophobicContact CG2-CG1 3.88Å; V434-V448 HydrophobicContact CG2-CG2 3.67Å; L443-V448 HydrophobicContact CD1-CG2 4.31Å; L443-V448 HydrophobicContact CD2-CG2 4.3Å; V448-M451 HydrophobicContact CG1-CB 3.92Å; V448-M451 HydrophobicContact CG1-CG 4.35Å; V448-M451 HydrophobicContact CG1-SD 4.31Å; V448-Q502 CarbonylContact O-C 3.54Å; V448-Q502 WeakPolarHBondContact O-CA 3.3Å; V448-Q502 PolarHBondContact O-N 3.15Å; V448-V503 HydrophobicContact CB-CG1 3.85Å; V448-V503 HydrophobicContact CG2-CG1 4.35Å; V448-V503 PolarHBondContact N-O 2.8Å; V448-V503 PolarHBondContact O-N 3.38Å; V448-V503 VanDerWaalsContact O-N 3.12Å; V448-V505 HydrophobicContact CG2-CG2 3.64Å
449P94.9Very high95.1Very high45 Ų4561.7 Ų61.729%0.29231%0.308SS..EExtended strand (participates in β ladder)trans-60.3-52.5-172.5-27.236.3000114.3Y429 K501 Q502Y429-P449 HydrophobicContact CE1-CG 4.32Å; Y429-P449 HydrophobicContact CE2-CB 4.39Å; Y429-P449 HydrophobicContact CE2-CG 4.01Å; P449-K501 CarbonylContact O-C 3.57Å; P449-K501 WeakPolarHBondContact O-CA 3.42Å; P449-Q502 PolarHBondContact O-N 2.93Å
450N94.9Very high95Very high35 Ų3564.3 Ų64.319%0.18731%0.312CS..EExtended strand (participates in β ladder)trans-138.8136.6174.4-64.9-54.6000108.2F425 Y429 L500F425-N450 HydrophobicContact CB-CB 4.17Å; F425-N450 HydrophobicContact CD1-CB 4.33Å; F425-N450 HydrophobicContact CD2-CB 4.03Å; F425-N450 HydrophobicContact CG-CB 3.92Å; Y429-N450 WeakPolarHBondContact CB-O 3.17Å; N450-L500 CarbonylContact C-O 3.44Å; N450-L500 WeakPolarHBondContact CA-O 3.34Å
451M95.6Very high94.8Very high2 Ų262.9 Ų62.91%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-149.5145.1-179.5-163.2178.4-172.100109.5V431 V434 V448 V453 L500 V503 L515V431-M451 HydrophobicContact CB-CE 4.45Å; V431-M451 HydrophobicContact CG2-CE 3.68Å; V434-M451 HydrophobicContact CB-CE 4.28Å; V434-M451 HydrophobicContact CG2-CE 3.95Å; V434-M451 HydrophobicContact CG2-SD 4.24Å; V448-M451 HydrophobicContact CG1-CB 3.92Å; V448-M451 HydrophobicContact CG1-CG 4.35Å; V448-M451 HydrophobicContact CG1-SD 4.31Å; M451-V453 HydrophobicContact CE-CG1 3.8Å; M451-V453 HydrophobicContact CG-CG1 4.18Å; M451-V453 HydrophobicContact SD-CG1 4.18Å; M451-L500 HydrophobicContact CB-CB 4.42Å; M451-L500 PolarHBondContact N-O 2.87Å; M451-L500 PolarHBondContact O-N 3.07Å; M451-V503 HydrophobicContact CB-CG1 4.39Å; M451-V503 HydrophobicContact SD-CG1 4.35Å; M451-L515 HydrophobicContact CE-CD1 4.42Å; M451-L515 HydrophobicContact SD-CD1 4.06Å; M451-L515 HydrophobicContact SD-CD2 4.25Å
452A95.9Very high94.1Very high4 Ų462.6 Ų62.63%0.03331%0.314CS..EExtended strand (participates in β ladder)trans-123.3132.1169.900000109W408 M411 F425 L426 L498 L499W408-A452 HydrophobicContact CH2-CB 4.3Å; W408-A452 HydrophobicContact CZ3-CB 4.17Å; M411-A452 HydrophobicContact CE-CB 3.8Å; M411-A452 HydrophobicContact SD-CB 3.96Å; F425-A452 HydrophobicContact CE2-CB 3.92Å; F425-A452 HydrophobicContact CZ-CB 4.42Å; L426-A452 HydrophobicContact CD2-CB 3.7Å; A452-L498 WeakPolarHBondContact CA-O 3.38Å; A452-L499 HydrophobicContact CB-CD1 4.32Å
453V96.6Very high93.6Very high0 Ų059.8 Ų59.80%031%0.311CS..EExtended strand (participates in β ladder)trans-140142-179-67.20000111.4V431 M451 F469 V497 L498 L500V431-V453 HydrophobicContact CG2-CG1 4.36Å; M451-V453 HydrophobicContact CE-CG1 3.8Å; M451-V453 HydrophobicContact CG-CG1 4.18Å; M451-V453 HydrophobicContact SD-CG1 4.18Å; V453-F469 HydrophobicContact CB-CB 3.97Å; V453-F469 HydrophobicContact CG1-CB 4.27Å; V453-F469 HydrophobicContact CG2-CB 3.99Å; V453-F469 HydrophobicContact CG2-CD1 3.77Å; V453-F469 HydrophobicContact CG2-CG 4.11Å; V453-V497 WeakPolarHBondContact O-CA 3.38Å; V453-L498 HydrophobicContact CG2-CB 4.14Å; V453-L498 HydrophobicContact CG2-CD1 4.48Å; V453-L498 PolarHBondContact N-O 3.47Å; V453-L498 PolarHBondContact O-N 3.26Å; V453-L500 HydrophobicContact CG2-CD1 3.84Å
454L96.2Very high93.6Very high3 Ų362.2 Ų62.22%0.01632%0.324CS..EExtended strand (participates in β ladder)trans-77.4133.1166.1-173.871.6000109.3E402 F403 K456 F469 K470 G495 V497E402-L454 HydrophobicContact CB-CD2 3.81Å; E402-L454 HydrophobicContact CG-CD2 3.76Å; E402-L454 WeakPolarHBondContact OE1-CD2 3.37Å; F403-L454 HydrophobicContact CE1-CB 4.17Å; F403-L454 HydrophobicContact CE1-CD2 4.19Å; L454-K456 PolarHBondContact O-N 2.79Å; L454-F469 CarbonylContact O-C 3.55Å; L454-F469 WeakPolarHBondContact O-CA 3.33Å; L454-K470 HydrophobicContact CB-CB 4.34Å; L454-K470 WeakPolarHBondContact CB-O 3.45Å; L454-K470 HydrophobicContact CD2-CD 4.41Å; L454-K470 PolarHBondContact N-O 3.27Å; L454-K470 PolarHBondContact O-N 2.8Å; L454-G495 WeakPolarHBondContact CD1-O 3.47Å; L454-V497 HydrophobicContact CB-CG2 4.49Å; L454-V497 HydrophobicContact CD1-CG2 3.56Å
455L96Very high93.7Very high0 Ų058.3 Ų58.30%030%0.299CS..EExtended strand (participates in β ladder)trans-80.996.6171.3-179.157.8000108.8S457 I458 A467 F469 L492 A494 G495 A496 L498L455-S457 WeakPolarHBondContact CD1-O 3.22Å; L455-I458 HydrophobicContact CD1-CB 4.27Å; L455-I458 HydrophobicContact CD2-CB 4.38Å; L455-I458 HydrophobicContact CD2-CD1 4.33Å; L455-A467 HydrophobicContact CD1-CB 3.87Å; L455-F469 HydrophobicContact CD1-CD1 4.07Å; L455-F469 HydrophobicContact CD1-CE1 3.82Å; L455-L492 HydrophobicContact CD2-CB 4.4Å; L455-L492 HydrophobicContact CD2-CD2 4.22Å; L455-A494 CarbonylContact O-C 3.39Å; L455-A494 VanDerWaalsContact O-CA 3.3Å; L455-A494 WeakPolarHBondContact O-CA 3.36Å; L455-G495 PolarHBondContact O-N 2.72Å; L455-A496 WeakPolarHBondContact CB-O 3.47Å; L455-A496 PolarHBondContact N-O 3.31Å; L455-L498 HydrophobicContact CB-CD1 4.48Å
456K95.1Very high93.9Very high80 Ų8053.8 Ų53.835%0.34829%0.286SS..EExtended strand (participates in β ladder)trans-73.1-40.9-178.3-177.3178.5178.9-178.70111.9L454 V468 K470 E475L454-K456 PolarHBondContact O-N 2.79Å; K456-V468 HydrophobicContact CB-CB 4.4Å; K456-V468 HydrophobicContact CB-CG1 4.33Å; K456-V468 HydrophobicContact CD-CG1 4.23Å; K456-V468 PolarHBondContact N-O 2.97Å; K456-K470 HydrophobicContact CB-CB 4.27Å; K456-K470 HydrophobicContact CD-CD 4.48Å; K456-E475 HydrophobicContact CD-CG 4.48Å; K456-E475 WeakPolarHBondContact CD-OE1 3.45Å; K456-E475 WeakPolarHBondContact CD-OE2 3.45Å; K456-E475 IonicContact NZ-OE1 3.87Å; K456-E475 PolarHBondContact NZ-OE1 2.89Å; K456-E475 IonicContact NZ-OE2 2.66Å; K456-E475 PolarHBondContact NZ-OE2 2.93Å
457S95.6Very high94Very high43 Ų4349.5 Ų49.530%0.30126%0.264SS..EExtended strand (participates in β ladder)trans-154.9154.8173.965.70000112.1L455 A467 V468L455-S457 WeakPolarHBondContact CD1-O 3.22Å; S457-A467 CarbonylContact O-C 3.54Å; S457-A467 VanDerWaalsContact O-CA 3.29Å; S457-A467 WeakPolarHBondContact O-CA 3.48Å; S457-V468 PolarHBondContact N-O 3.16Å; S457-V468 PolarHBondContact O-N 3.44Å; S457-V468 WeakPolarHBondContact OG-CG2 3.48Å
458I95.2Very high94Very high37 Ų3747.3 Ų47.319%0.1926%0.256CS..EExtended strand (participates in β ladder)trans-139.6135.6175.9-164.9168.6000109.4L455 A465 K466 A467 V480 L485 L492L455-I458 HydrophobicContact CD1-CB 4.27Å; L455-I458 HydrophobicContact CD2-CB 4.38Å; L455-I458 HydrophobicContact CD2-CD1 4.33Å; I458-A465 HydrophobicContact CD1-CB 3.92Å; I458-A465 HydrophobicContact CG1-CB 3.67Å; I458-K466 CarbonylContact C-O 3.58Å; I458-K466 WeakPolarHBondContact CA-O 3.48Å; I458-A467 HydrophobicContact CG1-CB 4.47Å; I458-V480 HydrophobicContact CD1-CG2 4.32Å; I458-L485 HydrophobicContact CD1-CD2 3.95Å; I458-L492 HydrophobicContact CD1-CB 4.35Å
459I95.3Very high94.1Very high112 Ų11247.3 Ų47.357%0.57426%0.256SS*.EExtended strand (participates in β ladder)trans-128.8108.3-178.8-57.4176.4000107A465 K466I459-A465 CarbonylContact O-C 3.57Å; I459-A465 VanDerWaalsContact O-CA 3.28Å; I459-A465 WeakPolarHBondContact O-CA 3.29Å; I459-K466 PolarHBondContact N-O 3.09Å; I459-K466 PolarHBondContact O-N 3Å
460H93Very high94.1Very high100 Ų10045.8 Ų45.846%0.46325%0.245SC..EExtended strand (participates in β ladder)trans-73.2138.1-178.7-67-152.5000109.6
461T91.6Very high94.1Very high67 Ų6744.4 Ų44.441%0.41124%0.238SC..  trans-125.8171.1170.682.90000109.3A463 D464T461-A463 PolarHBondContact O-N 3.09Å; T461-A463 VanDerWaalsContact O-N 3.07Å; T461-D464 WeakPolarHBondContact CA-O 3Å; T461-D464 VanDerWaalsContact CB-O 3.3Å; T461-D464 WeakPolarHBondContact CB-O 3.45Å; T461-D464 PolarHBondContact N-O 2.86Å; T461-D464 PolarHBondContact OG1-N 3.11Å; T461-D464 PolarHBondContact OG1-O 2.82Å
462N79.3Confident93.9Very high175 Ų17548 Ų4894%0.93626%0.261SS*.SBendtrans-63.1-16-176-58.3-26000114.3
463A83.6Confident93.8Very high59 Ų5950.8 Ų50.849%0.48828%0.278SS..SBendtrans-109.3-67.6176.700000111.3T461 R482T461-A463 PolarHBondContact O-N 3.09Å; T461-A463 VanDerWaalsContact O-N 3.07Å; A463-R482 WeakPolarHBondContact O-CB 3.4Å; A463-R482 VanDerWaalsContact O-CD 3.27Å; A463-R482 WeakPolarHBondContact O-CD 3.39Å; A463-R482 VanDerWaalsContact O-CG 3.31Å; A463-R482 WeakPolarHBondContact O-CG 3.25Å
464D93Very high93.7Very high57 Ų5751.9 Ų51.931%0.30529%0.289SS..  trans-126.9175.1-179-67.4-53.3000110.5T461 H481 R482T461-D464 WeakPolarHBondContact CA-O 3Å; T461-D464 VanDerWaalsContact CB-O 3.3Å; T461-D464 WeakPolarHBondContact CB-O 3.45Å; T461-D464 PolarHBondContact N-O 2.86Å; T461-D464 PolarHBondContact OG1-N 3.11Å; T461-D464 PolarHBondContact OG1-O 2.82Å; D464-H481 VanDerWaalsContact OD1-CA 3.27Å; D464-H481 WeakPolarHBondContact OD1-CA 3.49Å; D464-R482 PolarHBondContact OD1-N 3.37Å
465A95.4Very high93.7Very high1 Ų155.8 Ų55.81%0.00831%0.307CS..EExtended strand (participates in β ladder)trans-99.4139.3167.500000111.3I458 I459 T479 V480 L485I458-A465 HydrophobicContact CD1-CB 3.92Å; I458-A465 HydrophobicContact CG1-CB 3.67Å; I459-A465 CarbonylContact O-C 3.57Å; I459-A465 VanDerWaalsContact O-CA 3.28Å; I459-A465 WeakPolarHBondContact O-CA 3.29Å; A465-T479 CarbonylContact O-C 3.58Å; A465-T479 WeakPolarHBondContact O-CA 3.41Å; A465-V480 HydrophobicContact CB-CB 4.33Å; A465-V480 PolarHBondContact N-O 2.84Å; A465-V480 PolarHBondContact O-N 3.04Å; A465-L485 HydrophobicContact CB-CD1 3.66Å; A465-L485 HydrophobicContact CB-CD2 3.8Å; A465-L485 HydrophobicContact CB-CG 4.35Å
466K96.4Very high93.8Very high139 Ų13956 Ų5660%0.60431%0.308SS*.EExtended strand (participates in β ladder)trans-86.3133.2166.7-66.4179.9-179.7177.20108.4I458 I459I458-K466 CarbonylContact C-O 3.58Å; I458-K466 WeakPolarHBondContact CA-O 3.48Å; I459-K466 PolarHBondContact N-O 3.09Å; I459-K466 PolarHBondContact O-N 3Å
467A97.1Very high93.9Very high5 Ų557.3 Ų57.34%0.04132%0.316CS..EExtended strand (participates in β ladder)trans-130.9154.7-176.600000112.1L455 S457 I458 F469 Q477 G478 V480L455-A467 HydrophobicContact CD1-CB 3.87Å; S457-A467 CarbonylContact O-C 3.54Å; S457-A467 VanDerWaalsContact O-CA 3.29Å; S457-A467 WeakPolarHBondContact O-CA 3.48Å; I458-A467 HydrophobicContact CG1-CB 4.47Å; A467-F469 HydrophobicContact CB-CD2 4.49Å; A467-F469 HydrophobicContact CB-CE1 3.97Å; A467-F469 HydrophobicContact CB-CE2 3.8Å; A467-F469 HydrophobicContact CB-CZ 3.51Å; A467-Q477 CarbonylContact O-C 3.54Å; A467-Q477 WeakPolarHBondContact O-CA 3.39Å; A467-G478 PolarHBondContact N-O 2.67Å; A467-G478 PolarHBondContact O-N 2.62Å; A467-V480 HydrophobicContact CB-CG2 3.96Å
468V97.6Very high94Very high29 Ų2955.6 Ų55.618%0.17631%0.305CS..EExtended strand (participates in β ladder)trans-113.5123.7164.8-175.70000108K456 S457 E475 Q477K456-V468 HydrophobicContact CB-CB 4.4Å; K456-V468 HydrophobicContact CB-CG1 4.33Å; K456-V468 HydrophobicContact CD-CG1 4.23Å; K456-V468 PolarHBondContact N-O 2.97Å; S457-V468 PolarHBondContact N-O 3.16Å; S457-V468 PolarHBondContact O-N 3.44Å; S457-V468 WeakPolarHBondContact OG-CG2 3.48Å; V468-E475 HydrophobicContact CG1-CB 4.43Å; V468-E475 HydrophobicContact CG1-CG 4.49Å; V468-Q477 HydrophobicContact CG2-CG 4.5Å
469F97.4Very high94.1Very high0 Ų056.2 Ų56.20%031%0.31CS..EExtended strand (participates in β ladder)trans-107141.1177.9-55-73000109.3V453 L454 L455 A467 E475 I476 V480 L498 L515 V517V453-F469 HydrophobicContact CB-CB 3.97Å; V453-F469 HydrophobicContact CG1-CB 4.27Å; V453-F469 HydrophobicContact CG2-CB 3.99Å; V453-F469 HydrophobicContact CG2-CD1 3.77Å; V453-F469 HydrophobicContact CG2-CG 4.11Å; L454-F469 CarbonylContact O-C 3.55Å; L454-F469 WeakPolarHBondContact O-CA 3.33Å; L455-F469 HydrophobicContact CD1-CD1 4.07Å; L455-F469 HydrophobicContact CD1-CE1 3.82Å; A467-F469 HydrophobicContact CB-CD2 4.49Å; A467-F469 HydrophobicContact CB-CE1 3.97Å; A467-F469 HydrophobicContact CB-CE2 3.8Å; A467-F469 HydrophobicContact CB-CZ 3.51Å; F469-E475 CarbonylContact O-C 3.56Å; F469-E475 WeakPolarHBondContact O-CA 3.29Å; F469-I476 HydrophobicContact CB-CG2 3.99Å; F469-I476 PolarHBondContact N-O 2.75Å; F469-I476 PolarHBondContact O-N 2.85Å; F469-V480 HydrophobicContact CE1-CG2 4.48Å; F469-V480 HydrophobicContact CZ-CG2 3.88Å; F469-L498 HydrophobicContact CD1-CD1 4.07Å; F469-L498 HydrophobicContact CE1-CD1 3.59Å; F469-L515 HydrophobicContact CB-CD1 4.3Å; F469-L515 HydrophobicContact CD2-CB 4.08Å; F469-L515 HydrophobicContact CD2-CD1 3.86Å; F469-L515 HydrophobicContact CD2-CG 4.32Å; F469-L515 HydrophobicContact CE2-CB 4.03Å; F469-L515 HydrophobicContact CE2-CD1 4.45Å; F469-L515 HydrophobicContact CG-CD1 4.17Å; F469-V517 HydrophobicContact CE1-CG2 4.27Å; F469-V517 HydrophobicContact CE2-CG2 4.1Å; F469-V517 HydrophobicContact CZ-CG2 3.64Å
470K96Very high94.1Very high13 Ų1350.9 Ų50.96%0.05728%0.283CS..EExtended strand (participates in β ladder)trans-129.8144.2-175.4-163.3-162.2-173-166.60109.9E402 F403 L454 K456 G474 E475E402-K470 WeakPolarHBondContact OE2-CD 3.44Å; E402-K470 WeakPolarHBondContact OE2-CE 3.17Å; E402-K470 IonicContact OE2-NZ 2.86Å; E402-K470 PolarHBondContact OE2-NZ 3.11Å; F403-K470 HydrophobicContact CE2-CD 3.86Å; F403-K470 HydrophobicContact CE2-CG 4.38Å; F403-K470 HydrophobicContact CZ-CB 4.37Å; F403-K470 HydrophobicContact CZ-CD 3.56Å; F403-K470 HydrophobicContact CZ-CG 3.75Å; L454-K470 HydrophobicContact CB-CB 4.34Å; L454-K470 WeakPolarHBondContact CB-O 3.45Å; L454-K470 HydrophobicContact CD2-CD 4.41Å; L454-K470 PolarHBondContact N-O 3.27Å; L454-K470 PolarHBondContact O-N 2.8Å; K456-K470 HydrophobicContact CB-CB 4.27Å; K456-K470 HydrophobicContact CD-CD 4.48Å; K470-G474 WeakPolarHBondContact CA-O 3.13Å; K470-E475 HydrophobicContact CB-CG 4Å; K470-E475 HydrophobicContact CG-CG 3.61Å
471D94.9Very high94.3Very high7 Ų749.3 Ų49.34%0.03728%0.276CS..EExtended strand (participates in β ladder)trans-134.1175.9162.187.7-13.4000109.6F403 W408 S430 V431 T473 G474F403-D471 VanDerWaalsContact CZ-O 3.29Å; F403-D471 WeakPolarHBondContact CZ-O 3.31Å; W408-D471 HydrophobicContact CH2-CB 4.48Å; S430-D471 WeakPolarHBondContact CA-OD2 3.43Å; S430-D471 WeakPolarHBondContact CB-OD2 3.44Å; V431-D471 WeakPolarHBondContact CB-OD1 3.19Å; V431-D471 HydrophobicContact CG2-CB 3.85Å; V431-D471 VanDerWaalsContact CG2-CG 3.44Å; V431-D471 PolarHBondContact N-OD2 3.07Å; D471-T473 PolarHBondContact O-N 3.36Å; D471-T473 VanDerWaalsContact OD1-CA 3.3Å; D471-T473 WeakPolarHBondContact OD1-CA 3.33Å; D471-T473 WeakPolarHBondContact OD1-CB 3.14Å; D471-T473 PolarHBondContact OD1-N 3.13Å; D471-T473 PolarHBondContact OD1-OG1 3.24Å; D471-T473 PolarHBondContact OD2-OG1 2.99Å; D471-G474 PolarHBondContact N-O 2.88Å; D471-G474 PolarHBondContact O-N 2.87Å; D471-G474 PolarHBondContact OD1-N 2.87Å
472P91.6Very high94.4Very high76 Ų7652.4 Ų52.449%0.49428%0.28SS..THydrogen-bonded Turntrans-61.7-5.4179.6-25.836.2000115.5F403 W408F403-P472 HydrophobicContact CD1-CG 3.94Å; F403-P472 HydrophobicContact CD2-CG 4.37Å; F403-P472 HydrophobicContact CE1-CG 4.08Å; F403-P472 HydrophobicContact CE2-CG 4.46Å; F403-P472 HydrophobicContact CG-CG 4.1Å; F403-P472 HydrophobicContact CZ-CG 4.33Å; W408-P472 HydrophobicContact CH2-CG 4.47Å; W408-P472 HydrophobicContact CZ2-CG 3.79Å
473T93.2Very high95.1Very high63 Ų6351.6 Ų51.639%0.38726%0.264SS..THydrogen-bonded Turntrans-105.2-25177.875.40000113.5S430 V431 V432 D471S430-T473 WeakPolarHBondContact CB-OG1 3.26Å; V431-T473 PolarHBondContact N-OG1 2.96Å; V432-T473 WeakPolarHBondContact CG2-O 3.5Å; V432-T473 PolarHBondContact N-OG1 3Å; V432-T473 VanDerWaalsContact N-OG1 3.08Å; D471-T473 PolarHBondContact O-N 3.36Å; D471-T473 VanDerWaalsContact OD1-CA 3.3Å; D471-T473 WeakPolarHBondContact OD1-CA 3.33Å; D471-T473 WeakPolarHBondContact OD1-CB 3.14Å; D471-T473 PolarHBondContact OD1-N 3.13Å; D471-T473 PolarHBondContact OD1-OG1 3.24Å; D471-T473 PolarHBondContact OD2-OG1 2.99Å
474G94.2Very high95.5Very high23 Ų2348.9 Ų48.924%0.23724%0.241CC..EExtended strand (participates in β ladder)trans168.1-164.6177.400000115.8K470 D471K470-G474 WeakPolarHBondContact CA-O 3.13Å; D471-G474 PolarHBondContact N-O 2.88Å; D471-G474 PolarHBondContact O-N 2.87Å; D471-G474 PolarHBondContact OD1-N 2.87Å
475E96.8Very high95.5Very high85 Ų8547 Ų4740%0.39723%0.23SC..EExtended strand (participates in β ladder)trans-120.5142.2-176-75.7174.9-148.500112.3K456 V468 F469 K470K456-E475 HydrophobicContact CD-CG 4.48Å; K456-E475 WeakPolarHBondContact CD-OE1 3.45Å; K456-E475 WeakPolarHBondContact CD-OE2 3.45Å; K456-E475 IonicContact NZ-OE1 3.87Å; K456-E475 PolarHBondContact NZ-OE1 2.89Å; K456-E475 IonicContact NZ-OE2 2.66Å; K456-E475 PolarHBondContact NZ-OE2 2.93Å; V468-E475 HydrophobicContact CG1-CB 4.43Å; V468-E475 HydrophobicContact CG1-CG 4.49Å; F469-E475 CarbonylContact O-C 3.56Å; F469-E475 WeakPolarHBondContact O-CA 3.29Å; K470-E475 HydrophobicContact CB-CG 4Å; K470-E475 HydrophobicContact CG-CG 3.61Å
476I97.6Very high95.3Very high4 Ų452.4 Ų52.42%0.02126%0.256CS..EExtended strand (participates in β ladder)trans-137.4133.7175.9-170.8166.3000109.8V431 V434 L435 F469 H513 L515V431-I476 HydrophobicContact CG1-CB 3.85Å; V431-I476 HydrophobicContact CG1-CG2 4.02Å; V431-I476 HydrophobicContact CG2-CG2 3.93Å; V434-I476 HydrophobicContact CG1-CD1 4.48Å; L435-I476 HydrophobicContact CD2-CD1 3.77Å; L435-I476 HydrophobicContact CD2-CG1 4.17Å; L435-I476 HydrophobicContact CG-CD1 4.36Å; F469-I476 HydrophobicContact CB-CG2 3.99Å; F469-I476 PolarHBondContact N-O 2.75Å; F469-I476 PolarHBondContact O-N 2.85Å; I476-H513 HydrophobicContact CD1-CB 4.48Å; I476-L515 HydrophobicContact CD1-CD2 3.93Å; I476-L515 HydrophobicContact CD1-CG 3.98Å; I476-L515 HydrophobicContact CG1-CG 4.25Å; I476-L515 HydrophobicContact CG2-CD1 3.75Å; I476-L515 HydrophobicContact CG2-CG 3.92Å
477Q97.5Very high94.9Very high109 Ų10951.4 Ų51.451%0.50925%0.253SS..EExtended strand (participates in β ladder)trans-80.1167.5177.5-65.9-175.9-15.700110.6A467 V468 Y514 L515A467-Q477 CarbonylContact O-C 3.54Å; A467-Q477 WeakPolarHBondContact O-CA 3.39Å; V468-Q477 HydrophobicContact CG2-CG 4.5Å; Q477-Y514 HydrophobicContact CB-CD1 3.68Å; Q477-Y514 HydrophobicContact CB-CE1 3.8Å; Q477-Y514 CarbonylContact O-C 3.59Å; Q477-Y514 VanDerWaalsContact O-CA 3.25Å; Q477-Y514 WeakPolarHBondContact O-CA 3.27Å; Q477-L515 PolarHBondContact O-N 3.48Å
478G97.1Very high94.5Very high6 Ų653.9 Ų53.96%0.06226%0.262CS..EExtended strand (participates in β ladder)trans-178.7-173.1173.200000115.6A467 L515A467-G478 PolarHBondContact N-O 2.67Å; A467-G478 PolarHBondContact O-N 2.62Å; G478-L515 CarbonylContact C-O 3.53Å; G478-L515 WeakPolarHBondContact CA-O 3.28Å
479T96.6Very high93.8Very high50 Ų5055.7 Ų55.731%0.30727%0.274SS..EExtended strand (participates in β ladder)trans-118.6139.2177.552.60000110.7A465 L515 N516 V517A465-T479 CarbonylContact O-C 3.58Å; A465-T479 WeakPolarHBondContact O-CA 3.41Å; T479-L515 PolarHBondContact N-O 2.73Å; T479-N516 PolarHBondContact OG1-OD1 3.38Å; T479-V517 PolarHBondContact O-N 2.8Å
480V96.8Very high93.3Very high1 Ų163.2 Ų63.21%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-109.5117169.5-1770000108I458 A465 A467 F469 L484 L485 L492 V517I458-V480 HydrophobicContact CD1-CG2 4.32Å; A465-V480 HydrophobicContact CB-CB 4.33Å; A465-V480 PolarHBondContact N-O 2.84Å; A465-V480 PolarHBondContact O-N 3.04Å; A467-V480 HydrophobicContact CB-CG2 3.96Å; F469-V480 HydrophobicContact CE1-CG2 4.48Å; F469-V480 HydrophobicContact CZ-CG2 3.88Å; V480-L484 HydrophobicContact CG1-CB 4.26Å; V480-L484 HydrophobicContact CG1-CD2 4Å; V480-L484 HydrophobicContact CG1-CG 4.24Å; V480-L485 HydrophobicContact CB-CD2 4.18Å; V480-L485 HydrophobicContact CG1-CD2 3.72Å; V480-L485 HydrophobicContact CG1-CG 4.33Å; V480-L492 HydrophobicContact CG1-CD1 3.91Å; V480-V517 HydrophobicContact CG2-CB 4.45Å
481H95.8Very high93Very high66 Ų6664.3 Ų64.331%0.30632%0.315SS..  trans-65.7135.4-172.4177.3-80.7000112.6D464 R483 L484 V517 T518D464-H481 VanDerWaalsContact OD1-CA 3.27Å; D464-H481 WeakPolarHBondContact OD1-CA 3.49Å; H481-R483 VanDerWaalsContact C-N 3.34Å; H481-R483 PolarHBondContact ND1-N 2.9Å; H481-R483 PolarHBondContact O-N 3.32Å; H481-L484 WeakPolarHBondContact O-CB 3.34Å; H481-L484 PolarHBondContact O-N 2.98Å; H481-V517 WeakPolarHBondContact CB-O 3.35Å; H481-V517 PolarHBondContact N-O 3.38Å; H481-T518 HydrophobicContact CB-CG2 4.25Å
482R94.2Very high92.8Very high132 Ų13264.1 Ų64.150%0.49831%0.314SS..Hα-helixtrans-37.9-54.3-172.8-163.9164.347108.2-16.6115.6A463 D464 L484 L485 E486A463-R482 WeakPolarHBondContact O-CB 3.4Å; A463-R482 VanDerWaalsContact O-CD 3.27Å; A463-R482 WeakPolarHBondContact O-CD 3.39Å; A463-R482 VanDerWaalsContact O-CG 3.31Å; A463-R482 WeakPolarHBondContact O-CG 3.25Å; D464-R482 PolarHBondContact OD1-N 3.37Å; R482-L484 PolarHBondContact O-N 2.87Å; R482-L484 VanDerWaalsContact O-N 3.11Å; R482-L485 WeakPolarHBondContact O-CA 3.34Å; R482-L485 VanDerWaalsContact O-CB 3.24Å; R482-L485 WeakPolarHBondContact O-CB 3.34Å; R482-L485 PolarHBondContact O-N 2.84Å; R482-E486 HydrophobicContact CG-CG 4.2Å; R482-E486 WeakPolarHBondContact CG-OE1 3.4Å; R482-E486 IonicContact CZ-OE1 3.96Å; R482-E486 IonicContact NE-OE1 2.67Å; R482-E486 IonicContact NH1-OE1 2.62Å; R482-E486 PolarHBondContact NH1-OE1 3.27Å; R482-E486 IonicContact NH1-OE2 2.75Å; R482-E486 PolarHBondContact O-N 2.91Å
483R93.7Very high92.9Very high159 Ų15966.1 Ų66.160%0.632%0.315SS*.Hα-helixtrans-52-35.9-179.5-69.3-178.4-169.1175.52.1114H481 L485 E486 E487 P519H481-R483 VanDerWaalsContact C-N 3.34Å; H481-R483 PolarHBondContact ND1-N 2.9Å; H481-R483 PolarHBondContact O-N 3.32Å; R483-L485 VanDerWaalsContact C-N 3.33Å; R483-E486 WeakPolarHBondContact CA-OE2 3.5Å; R483-E486 PolarHBondContact O-N 2.64Å; R483-E487 VanDerWaalsContact O-CB 3.26Å; R483-E487 WeakPolarHBondContact O-CB 3.5Å; R483-E487 WeakPolarHBondContact O-CG 3.27Å; R483-E487 PolarHBondContact O-N 3.04Å; R483-P519 HydrophobicContact CB-CG 3.98Å
484L93.4Very high92.9Very high1 Ų166 Ų661%0.00532%0.321CS..Hα-helixtrans-74-27179.2-177.253.6000112.3V480 H481 R482 R488 L492 V517 P519 L522V480-L484 HydrophobicContact CG1-CB 4.26Å; V480-L484 HydrophobicContact CG1-CD2 4Å; V480-L484 HydrophobicContact CG1-CG 4.24Å; H481-L484 WeakPolarHBondContact O-CB 3.34Å; H481-L484 PolarHBondContact O-N 2.98Å; R482-L484 PolarHBondContact O-N 2.87Å; R482-L484 VanDerWaalsContact O-N 3.11Å; L484-R488 HydrophobicContact CD1-CB 4.26Å; L484-R488 PolarHBondContact O-N 3.06Å; L484-L492 HydrophobicContact CG-CD1 4.06Å; L484-V517 HydrophobicContact CD2-CG1 3.86Å; L484-P519 HydrophobicContact CB-CG 3.9Å; L484-L522 HydrophobicContact CD1-CD2 3.58Å; L484-L522 HydrophobicContact CD2-CB 4.37Å; L484-L522 HydrophobicContact CD2-CD2 3.83Å; L484-L522 HydrophobicContact CG-CD2 4.28Å
485L91.5Very high92.8Very high17 Ų1766 Ų669%0.08932%0.32CS..Hα-helixtrans-71.1-42.7168.6-49172.5000110.2I458 A465 V480 R482 R483 C489 L492I458-L485 HydrophobicContact CD1-CD2 3.95Å; A465-L485 HydrophobicContact CB-CD1 3.66Å; A465-L485 HydrophobicContact CB-CD2 3.8Å; A465-L485 HydrophobicContact CB-CG 4.35Å; V480-L485 HydrophobicContact CB-CD2 4.18Å; V480-L485 HydrophobicContact CG1-CD2 3.72Å; V480-L485 HydrophobicContact CG1-CG 4.33Å; R482-L485 WeakPolarHBondContact O-CA 3.34Å; R482-L485 VanDerWaalsContact O-CB 3.24Å; R482-L485 WeakPolarHBondContact O-CB 3.34Å; R482-L485 PolarHBondContact O-N 2.84Å; R483-L485 VanDerWaalsContact C-N 3.33Å; L485-C489 VanDerWaalsContact O-CA 3.3Å; L485-C489 WeakPolarHBondContact O-CA 3.3Å; L485-C489 WeakPolarHBondContact O-CB 3.41Å; L485-C489 PolarHBondContact O-N 2.91Å; L485-L492 HydrophobicContact CD2-CD1 3.84Å
486E91.8Very high92.6Very high116 Ų11661.9 Ų61.954%0.54230%0.301SS..Hα-helixtrans-65.5-41.9178.8-65.5167.4154.200111.9R482 R483R482-E486 HydrophobicContact CG-CG 4.2Å; R482-E486 WeakPolarHBondContact CG-OE1 3.4Å; R482-E486 IonicContact CZ-OE1 3.96Å; R482-E486 IonicContact NE-OE1 2.67Å; R482-E486 IonicContact NH1-OE1 2.62Å; R482-E486 PolarHBondContact NH1-OE1 3.27Å; R482-E486 IonicContact NH1-OE2 2.75Å; R482-E486 PolarHBondContact O-N 2.91Å; R483-E486 WeakPolarHBondContact CA-OE2 3.5Å; R483-E486 PolarHBondContact O-N 2.64Å
487E89.1Confident92.5Very high117 Ų11761.7 Ų61.755%0.54730%0.3SS..Hα-helixtrans-74.7-37.5178.8-70.5160.4-156.300112.9R483R483-E487 VanDerWaalsContact O-CB 3.26Å; R483-E487 WeakPolarHBondContact O-CB 3.5Å; R483-E487 WeakPolarHBondContact O-CG 3.27Å; R483-E487 PolarHBondContact O-N 3.04Å
488R87.3Confident92.5Very high58 Ų5856.6 Ų56.622%0.21928%0.276CS..Hα-helixtrans-141.534.6-167.1-69.8-153.1-89.3177.7-14.3115.9L484 E490 E491 L492 L522 I525L484-R488 HydrophobicContact CD1-CB 4.26Å; L484-R488 PolarHBondContact O-N 3.06Å; R488-E490 PolarHBondContact O-N 3.03Å; R488-E490 VanDerWaalsContact O-N 3.12Å; R488-E491 HydrophobicContact CB-CB 4.49Å; R488-E491 VanDerWaalsContact CD-CD 3.41Å; R488-E491 WeakPolarHBondContact CD-OE1 3.29Å; R488-E491 VanDerWaalsContact CD-OE2 3.29Å; R488-E491 WeakPolarHBondContact CD-OE2 3.41Å; R488-E491 IonicContact CZ-OE2 3.86Å; R488-E491 IonicContact NE-OE2 3.81Å; R488-E491 IonicContact NH1-OE2 2.69Å; R488-E491 PolarHBondContact NH1-OE2 3.47Å; R488-E491 PolarHBondContact O-N 3.24Å; R488-E491 VanDerWaalsContact O-N 3.13Å; R488-L492 PolarHBondContact O-N 3.13Å; R488-L522 VanDerWaalsContact NH2-CD2 3.34Å; R488-I525 HydrophobicContact CB-CD1 4.44Å
489C84.1Confident92.4Very high66 Ų6656.5 Ų56.545%0.44627%0.274SS..THydrogen-bonded Turntrans-45.8-43.5175-162.90000113.3L485 E491 L492L485-C489 VanDerWaalsContact O-CA 3.3Å; L485-C489 WeakPolarHBondContact O-CA 3.3Å; L485-C489 WeakPolarHBondContact O-CB 3.41Å; L485-C489 PolarHBondContact O-N 2.91Å; C489-E491 PolarHBondContact O-N 3.45Å; C489-L492 PolarHBondContact O-N 2.74Å
490E86.3Confident92.4Very high158 Ų15854.1 Ų54.174%0.73826%0.26SS*.THydrogen-bonded Turntrans-74.1-23.5-173.3-60-169.5-172.700114.3R488 K493R488-E490 PolarHBondContact O-N 3.03Å; R488-E490 VanDerWaalsContact O-N 3.12Å; E490-K493 WeakPolarHBondContact O-CD 3.35Å; E490-K493 WeakPolarHBondContact O-CE 3.15Å; E490-K493 PolarHBondContact O-NZ 3.44Å
491E89.6Confident92.4Very high36 Ų3657.1 Ų57.117%0.16827%0.273CS..THydrogen-bonded Turntrans-85.1-31.8175.5-72.1172.7-131.200111.6R488 C489 K493 I525R488-E491 HydrophobicContact CB-CB 4.49Å; R488-E491 VanDerWaalsContact CD-CD 3.41Å; R488-E491 WeakPolarHBondContact CD-OE1 3.29Å; R488-E491 VanDerWaalsContact CD-OE2 3.29Å; R488-E491 WeakPolarHBondContact CD-OE2 3.41Å; R488-E491 IonicContact CZ-OE2 3.86Å; R488-E491 IonicContact NE-OE2 3.81Å; R488-E491 IonicContact NH1-OE2 2.69Å; R488-E491 PolarHBondContact NH1-OE2 3.47Å; R488-E491 PolarHBondContact O-N 3.24Å; R488-E491 VanDerWaalsContact O-N 3.13Å; C489-E491 PolarHBondContact O-N 3.45Å; E491-K493 PolarHBondContact O-N 3.12Å; E491-I525 HydrophobicContact CB-CB 4.18Å; E491-I525 HydrophobicContact CB-CD1 3.49Å; E491-I525 VanDerWaalsContact CB-CD1 3.49Å; E491-I525 HydrophobicContact CB-CG1 4.37Å; E491-I525 HydrophobicContact CB-CG2 4.07Å; E491-I525 HydrophobicContact CG-CD1 4.46Å; E491-I525 WeakPolarHBondContact OE2-CB 3.37Å; E491-I525 WeakPolarHBondContact OE2-CD1 3.24Å
492L91.9Very high92.4Very high4 Ų459.3 Ų59.32%0.02128%0.283CS..  trans-7958.7-176-72.7179.3000114L455 I458 V480 L484 L485 R488 C489 L498 I525L455-L492 HydrophobicContact CD2-CB 4.4Å; L455-L492 HydrophobicContact CD2-CD2 4.22Å; I458-L492 HydrophobicContact CD1-CB 4.35Å; V480-L492 HydrophobicContact CG1-CD1 3.91Å; L484-L492 HydrophobicContact CG-CD1 4.06Å; L485-L492 HydrophobicContact CD2-CD1 3.84Å; R488-L492 PolarHBondContact O-N 3.13Å; C489-L492 PolarHBondContact O-N 2.74Å; L492-L498 HydrophobicContact CD2-CD2 3.79Å; L492-I525 HydrophobicContact CD2-CD1 3.66Å; L492-I525 HydrophobicContact CG-CD1 3.93Å
493K92.3Very high92.6Very high117 Ų11753 Ų5351%0.50926%0.259SS..  trans-100.4154.9175.8-71.4162.9-177.8146.40111.3E490 E491 G495 A496E490-K493 WeakPolarHBondContact O-CD 3.35Å; E490-K493 WeakPolarHBondContact O-CE 3.15Å; E490-K493 PolarHBondContact O-NZ 3.44Å; E491-K493 PolarHBondContact O-N 3.12Å; K493-G495 PolarHBondContact O-N 2.89Å; K493-A496 WeakPolarHBondContact O-CB 3.46Å; K493-A496 PolarHBondContact O-N 3.27Å
494A92.6Very high92.7Very high61 Ų6146.4 Ų46.450%0.50424%0.24SC..THydrogen-bonded Turntrans-56.5138.5171.500000110.4L455L455-A494 CarbonylContact O-C 3.39Å; L455-A494 VanDerWaalsContact O-CA 3.3Å; L455-A494 WeakPolarHBondContact O-CA 3.36Å
495G92.3Very high92.9Very high22 Ų2246.6 Ų46.623%0.22724%0.241CC..THydrogen-bonded Turntrans85.8-5.4-171.700000115.2L454 L455 K493L454-G495 WeakPolarHBondContact CD1-O 3.47Å; L455-G495 PolarHBondContact O-N 2.72Å; K493-G495 PolarHBondContact O-N 2.89Å
496A94.2Very high93.1Very high0 Ų052 Ų520%026%0.264CS..  trans-74.9141.3172.500000111.6L455 K493 I525 Y526L455-A496 WeakPolarHBondContact CB-O 3.47Å; L455-A496 PolarHBondContact N-O 3.31Å; K493-A496 WeakPolarHBondContact O-CB 3.46Å; K493-A496 PolarHBondContact O-N 3.27Å; A496-I525 HydrophobicContact CB-CG2 3.82Å; A496-Y526 VanDerWaalsContact CA-O 3.31Å; A496-Y526 WeakPolarHBondContact CA-O 3.37Å
497V95.5Very high93.3Very high0 Ų048.6 Ų48.60%025%0.253CS..EExtended strand (participates in β ladder)trans-99.2129.7175.1176.60000109.9A407 W408 M411 V453 L454 I525 Y526A407-V497 HydrophobicContact CB-CB 4.28Å; A407-V497 HydrophobicContact CB-CG2 3.85Å; W408-V497 HydrophobicContact CB-CG2 4.16Å; W408-V497 HydrophobicContact CE3-CG1 3.77Å; W408-V497 HydrophobicContact CE3-CG2 3.91Å; W408-V497 HydrophobicContact CZ3-CG1 4.12Å; M411-V497 HydrophobicContact CB-CG1 4.23Å; M411-V497 HydrophobicContact CE-CG1 4.32Å; M411-V497 HydrophobicContact CG-CG1 4.1Å; V453-V497 WeakPolarHBondContact O-CA 3.38Å; L454-V497 HydrophobicContact CB-CG2 4.49Å; L454-V497 HydrophobicContact CD1-CG2 3.56Å; V497-I525 CarbonylContact O-C 3.6Å; V497-I525 WeakPolarHBondContact O-CA 3.24Å; V497-Y526 HydrophobicContact CB-CD2 4.46Å; V497-Y526 HydrophobicContact CG1-CD2 4.47Å; V497-Y526 PolarHBondContact N-O 2.59Å; V497-Y526 PolarHBondContact O-N 2.98Å
498L95.8Very high93.6Very high1 Ų146.6 Ų46.61%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-105.4120.9-178.9-53177.5000109.5A452 V453 L455 F469 L492 L500 L522 I525A452-L498 WeakPolarHBondContact CA-O 3.38Å; V453-L498 HydrophobicContact CG2-CB 4.14Å; V453-L498 HydrophobicContact CG2-CD1 4.48Å; V453-L498 PolarHBondContact N-O 3.47Å; V453-L498 PolarHBondContact O-N 3.26Å; L455-L498 HydrophobicContact CB-CD1 4.48Å; F469-L498 HydrophobicContact CD1-CD1 4.07Å; F469-L498 HydrophobicContact CE1-CD1 3.59Å; L492-L498 HydrophobicContact CD2-CD2 3.79Å; L498-L500 HydrophobicContact CB-CD2 4.11Å; L498-L500 HydrophobicContact CB-CG 4.2Å; L498-L522 HydrophobicContact CB-CD1 4.12Å; L498-L522 HydrophobicContact CD2-CD1 4.08Å; L498-I525 HydrophobicContact CD2-CB 4.3Å; L498-I525 HydrophobicContact CD2-CD1 4.17Å; L498-I525 HydrophobicContact CD2-CG1 3.72Å; L498-I525 HydrophobicContact CD2-CG2 3.98Å
499L96.2Very high93.8Very high4 Ų445.9 Ų45.92%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-91.9117.9167.8-176.765.6000108.9M415 F425 A452 L523 R524 Y526M415-L499 HydrophobicContact CE-CD2 4.02Å; M415-L499 HydrophobicContact CG-CD2 4.11Å; M415-L499 HydrophobicContact SD-CD2 3.62Å; F425-L499 HydrophobicContact CE2-CD1 4.09Å; F425-L499 HydrophobicContact CZ-CD1 3.62Å; A452-L499 HydrophobicContact CB-CD1 4.32Å; L499-L523 HydrophobicContact CB-CB 4.33Å; L499-L523 HydrophobicContact CD2-CB 4.07Å; L499-L523 HydrophobicContact CD2-CD1 4.08Å; L499-L523 HydrophobicContact CG-CB 4.06Å; L499-L523 HydrophobicContact CG-CD1 4.05Å; L499-L523 WeakPolarHBondContact O-CB 3.46Å; L499-L523 PolarHBondContact O-N 2.94Å; L499-R524 HydrophobicContact CB-CB 4.5Å; L499-R524 PolarHBondContact N-O 2.91Å; L499-R524 PolarHBondContact O-N 3.36Å; L499-Y526 HydrophobicContact CB-CE2 4.27Å
500L96.6Very high94Very high0 Ų048.8 Ų48.80%026%0.261CS..EExtended strand (participates in β ladder)trans-118.1138-169.6-58.3177.1000111.6N450 M451 V453 L498 V503 V517 N521 L522N450-L500 CarbonylContact C-O 3.44Å; N450-L500 WeakPolarHBondContact CA-O 3.34Å; M451-L500 HydrophobicContact CB-CB 4.42Å; M451-L500 PolarHBondContact N-O 2.87Å; M451-L500 PolarHBondContact O-N 3.07Å; V453-L500 HydrophobicContact CG2-CD1 3.84Å; L498-L500 HydrophobicContact CB-CD2 4.11Å; L498-L500 HydrophobicContact CB-CG 4.2Å; L500-V503 HydrophobicContact CB-CB 4.28Å; L500-V503 HydrophobicContact CB-CG1 4.23Å; L500-V503 HydrophobicContact CD1-CB 4.44Å; L500-V503 HydrophobicContact CD1-CG1 4.37Å; L500-V503 HydrophobicContact CD1-CG2 4.27Å; L500-V517 HydrophobicContact CD1-CG2 4.16Å; L500-V517 HydrophobicContact CD2-CG1 3.91Å; L500-N521 CarbonylContact C-O 3.54Å; L500-N521 VanDerWaalsContact CA-O 3.29Å; L500-N521 WeakPolarHBondContact CA-O 3.4Å; L500-L522 HydrophobicContact CD2-CB 4.4Å; L500-L522 HydrophobicContact CD2-CD1 3.78Å
501K96.4Very high94.3Very high65 Ų6550.6 Ų50.628%0.28326%0.261SS..EExtended strand (participates in β ladder)trans-115.3140.8170.764.3177.1169.5-171.30111.6P449 V503 N520 N521 L523P449-K501 CarbonylContact O-C 3.57Å; P449-K501 WeakPolarHBondContact O-CA 3.42Å; K501-V503 PolarHBondContact O-N 3.32Å; K501-N520 WeakPolarHBondContact CE-O 3.49Å; K501-N521 PolarHBondContact N-O 2.79Å; K501-N521 WeakPolarHBondContact O-CA 3.16Å; K501-N521 PolarHBondContact O-ND2 2.66Å; K501-L523 HydrophobicContact CB-CD1 4.01Å; K501-L523 HydrophobicContact CB-CG 4.15Å; K501-L523 HydrophobicContact CD-CD1 4.44Å; K501-L523 HydrophobicContact CD-CD2 3.76Å; K501-L523 HydrophobicContact CD-CG 3.91Å; K501-L523 HydrophobicContact CG-CD1 4.41Å; K501-L523 HydrophobicContact CG-CD2 4.4Å; K501-L523 HydrophobicContact CG-CG 4Å
502Q96.3Very high94.5Very high112 Ų11252.6 Ų52.652%0.52327%0.273SS..EExtended strand (participates in β ladder)trans48.930.7173.1-59.4-168.416.700114.7K447 V448 P449 N521K447-Q502 HydrophobicContact CD-CB 4.21Å; K447-Q502 WeakPolarHBondContact CD-O 3.38Å; K447-Q502 WeakPolarHBondContact CE-O 3.49Å; K447-Q502 WeakPolarHBondContact CG-O 3.18Å; V448-Q502 CarbonylContact O-C 3.54Å; V448-Q502 WeakPolarHBondContact O-CA 3.3Å; V448-Q502 PolarHBondContact O-N 3.15Å; P449-Q502 PolarHBondContact O-N 2.93Å; Q502-N521 PolarHBondContact O-ND2 2.72Å
503V97.3Very high94.7Very high0 Ų053.1 Ų53.10%028%0.276CS..EExtended strand (participates in β ladder)trans-66.9136-172.459.80000110.4K447 V448 M451 L500 K501 L515 N516 V517 N521K447-V503 CarbonylContact C-O 3.5Å; K447-V503 VanDerWaalsContact CA-O 3.3Å; K447-V503 WeakPolarHBondContact CA-O 3.45Å; V448-V503 HydrophobicContact CB-CG1 3.85Å; V448-V503 HydrophobicContact CG2-CG1 4.35Å; V448-V503 PolarHBondContact N-O 2.8Å; V448-V503 PolarHBondContact O-N 3.38Å; V448-V503 VanDerWaalsContact O-N 3.12Å; M451-V503 HydrophobicContact CB-CG1 4.39Å; M451-V503 HydrophobicContact SD-CG1 4.35Å; L500-V503 HydrophobicContact CB-CB 4.28Å; L500-V503 HydrophobicContact CB-CG1 4.23Å; L500-V503 HydrophobicContact CD1-CB 4.44Å; L500-V503 HydrophobicContact CD1-CG1 4.37Å; L500-V503 HydrophobicContact CD1-CG2 4.27Å; K501-V503 PolarHBondContact O-N 3.32Å; V503-L515 HydrophobicContact CG2-CB 4.47Å; V503-N516 WeakPolarHBondContact CG2-O 3.44Å; V503-V517 HydrophobicContact CG2-CG2 4.26Å; V503-N521 WeakPolarHBondContact CA-ND2 3.38Å; V503-N521 HydrophobicContact CB-CB 4.46Å; V503-N521 PolarHBondContact N-ND2 3.47Å
504G96.9Very high95Very high19 Ų1950.9 Ų50.920%0.19626%0.264CS..EExtended strand (participates in β ladder)trans-79.1139.8-177.600000112N516G504-N516 PolarHBondContact O-N 3.02Å
505V97.3Very high95.2Very high5 Ų548 Ų483%0.0324%0.24CC..EExtended strand (participates in β ladder)trans-111.9102.7174-170.50000109.5V434 A438 L443 N446 V448 H513 Y514 L515V434-V505 HydrophobicContact CG1-CG2 3.97Å; A438-V505 HydrophobicContact CB-CG1 3.99Å; L443-V505 HydrophobicContact CD1-CB 3.89Å; L443-V505 HydrophobicContact CD1-CG1 4.32Å; L443-V505 HydrophobicContact CD1-CG2 3.61Å; N446-V505 PolarHBondContact O-N 3.44Å; V448-V505 HydrophobicContact CG2-CG2 3.64Å; V505-H513 HydrophobicContact CG1-CB 4.24Å; V505-Y514 CarbonylContact C-O 3.5Å; V505-Y514 WeakPolarHBondContact CA-O 3.43Å; V505-L515 HydrophobicContact CG2-CD2 3.99Å
506F96.1Very high95.4Very high130 Ų13050 Ų5057%0.5725%0.246SC*.EExtended strand (participates in β ladder)trans-79.8123.9174.6179.6-121.6000110P508 Y514F506-P508 HydrophobicContact CD1-CG 4.2Å; F506-P508 HydrophobicContact CE1-CB 3.93Å; F506-P508 HydrophobicContact CE1-CG 3.77Å; F506-P508 HydrophobicContact CZ-CB 3.91Å; F506-P508 HydrophobicContact CZ-CG 4.25Å; F506-P508 WeakPolarHBondContact O-CD 3.3Å; F506-Y514 HydrophobicContact CD1-CD2 4.31Å; F506-Y514 PolarHBondContact N-O 3.18Å; F506-Y514 PolarHBondContact O-N 3.29Å
507S95.9Very high95.6Very high45 Ų4550 Ų5032%0.31525%0.246SC..  trans-126.876.5-172.6-58.10000110.9S509 H513S507-S509 PolarHBondContact O-N 3.16Å; S507-H513 WeakPolarHBondContact CB-ND1 3.44Å; S507-H513 PolarHBondContact OG-ND1 3.44Å
508P94.8Very high95.6Very high76 Ų7651.5 Ų51.549%0.49426%0.255SS..SBendtrans-67-14179.126.9-34.8000113.3F506 N512 Y514F506-P508 HydrophobicContact CD1-CG 4.2Å; F506-P508 HydrophobicContact CE1-CB 3.93Å; F506-P508 HydrophobicContact CE1-CG 3.77Å; F506-P508 HydrophobicContact CZ-CB 3.91Å; F506-P508 HydrophobicContact CZ-CG 4.25Å; F506-P508 WeakPolarHBondContact O-CD 3.3Å; P508-N512 WeakPolarHBondContact CD-O 3.16Å; P508-N512 HydrophobicContact CG-CB 4.45Å; P508-Y514 HydrophobicContact CG-CD2 3.99Å; P508-Y514 HydrophobicContact CG-CE2 3.71Å
509S92.6Very high95.5Very high42 Ų4252.8 Ų52.829%0.29426%0.264SS..SBendtrans-145.4176.2168.9830000111.3S507 R511 N512 H513S507-S509 PolarHBondContact O-N 3.16Å; S509-R511 PolarHBondContact O-N 2.94Å; S509-R511 PolarHBondContact OG-N 3.41Å; S509-R511 VanDerWaalsContact OG-N 3.13Å; S509-N512 WeakPolarHBondContact OG-CB 3.31Å; S509-N512 VanDerWaalsContact OG-CG 3.31Å; S509-N512 PolarHBondContact OG-N 3.26Å; S509-H513 PolarHBondContact O-CE1 3.26Å
510H87.4Confident95.4Very high128 Ų12859.2 Ų59.259%0.59330%0.298SS*.SBendtrans-788.7173.167.6-92.4000113.8
511R91.4Very high95.3Very high196 Ų19660 Ų6074%0.7430%0.302SS*.SBendtrans-130.7-25179.8-55.6-171.5180-122.9-7.5113S509S509-R511 PolarHBondContact O-N 2.94Å; S509-R511 PolarHBondContact OG-N 3.41Å; S509-R511 VanDerWaalsContact OG-N 3.13Å
512N94.7Very high95.3Very high77 Ų7757.2 Ų57.241%0.41229%0.29SS..  trans-111111.7-173.9-53.5-6.9000107.7P508 S509 Y514P508-N512 WeakPolarHBondContact CD-O 3.16Å; P508-N512 HydrophobicContact CG-CB 4.45Å; S509-N512 WeakPolarHBondContact OG-CB 3.31Å; S509-N512 VanDerWaalsContact OG-CG 3.31Å; S509-N512 PolarHBondContact OG-N 3.26Å; N512-Y514 HydrophobicContact CB-CE2 3.78Å
513H96.9Very high95.1Very high16 Ų1653.1 Ų53.17%0.07427%0.272CS..  trans-127.8134.1-178.2-57.1-70.5000108.8L435 A438 A439 I476 V505 S507 S509L435-H513 HydrophobicContact CD2-CB 3.7Å; A438-H513 WeakPolarHBondContact CB-ND1 3.3Å; A439-H513 PolarHBondContact N-CE1 3.13Å; I476-H513 HydrophobicContact CD1-CB 4.48Å; V505-H513 HydrophobicContact CG1-CB 4.24Å; S507-H513 WeakPolarHBondContact CB-ND1 3.44Å; S507-H513 PolarHBondContact OG-ND1 3.44Å; S509-H513 PolarHBondContact O-CE1 3.26Å
514Y97.6Very high94.9Very high69 Ų6955.9 Ų55.927%0.27128%0.282SS..EExtended strand (participates in β ladder)trans-131132.4-172.2-60.2-84.5000110.5Q477 V505 F506 P508 N512Q477-Y514 HydrophobicContact CB-CD1 3.68Å; Q477-Y514 HydrophobicContact CB-CE1 3.8Å; Q477-Y514 CarbonylContact O-C 3.59Å; Q477-Y514 VanDerWaalsContact O-CA 3.25Å; Q477-Y514 WeakPolarHBondContact O-CA 3.27Å; V505-Y514 CarbonylContact C-O 3.5Å; V505-Y514 WeakPolarHBondContact CA-O 3.43Å; F506-Y514 HydrophobicContact CD1-CD2 4.31Å; F506-Y514 PolarHBondContact N-O 3.18Å; F506-Y514 PolarHBondContact O-N 3.29Å; P508-Y514 HydrophobicContact CG-CD2 3.99Å; P508-Y514 HydrophobicContact CG-CE2 3.71Å; N512-Y514 HydrophobicContact CB-CE2 3.78Å
515L97.8Very high94.8Very high0 Ų055.4 Ų55.40%028%0.275CS..EExtended strand (participates in β ladder)trans-74.4140.8167.7-61.9-174.1000110.1M451 F469 I476 Q477 G478 T479 V503 V505 V517M451-L515 HydrophobicContact CE-CD1 4.42Å; M451-L515 HydrophobicContact SD-CD1 4.06Å; M451-L515 HydrophobicContact SD-CD2 4.25Å; F469-L515 HydrophobicContact CB-CD1 4.3Å; F469-L515 HydrophobicContact CD2-CB 4.08Å; F469-L515 HydrophobicContact CD2-CD1 3.86Å; F469-L515 HydrophobicContact CD2-CG 4.32Å; F469-L515 HydrophobicContact CE2-CB 4.03Å; F469-L515 HydrophobicContact CE2-CD1 4.45Å; F469-L515 HydrophobicContact CG-CD1 4.17Å; I476-L515 HydrophobicContact CD1-CD2 3.93Å; I476-L515 HydrophobicContact CD1-CG 3.98Å; I476-L515 HydrophobicContact CG1-CG 4.25Å; I476-L515 HydrophobicContact CG2-CD1 3.75Å; I476-L515 HydrophobicContact CG2-CG 3.92Å; Q477-L515 PolarHBondContact O-N 3.48Å; G478-L515 CarbonylContact C-O 3.53Å; G478-L515 WeakPolarHBondContact CA-O 3.28Å; T479-L515 PolarHBondContact N-O 2.73Å; V503-L515 HydrophobicContact CG2-CB 4.47Å; V505-L515 HydrophobicContact CG2-CD2 3.99Å; L515-V517 HydrophobicContact CB-CG2 4.49Å
516N96.6Very high94.6Very high65 Ų6555.2 Ų55.235%0.34827%0.274SS..EExtended strand (participates in β ladder)trans-116.3106.7168.3-171.20.7000109.5T479 V503 G504T479-N516 PolarHBondContact OG1-OD1 3.38Å; V503-N516 WeakPolarHBondContact CG2-O 3.44Å; G504-N516 PolarHBondContact O-N 3.02Å
517V96.7Very high94.3Very high1 Ų150.6 Ų50.61%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-99.1112.7-174.4-176.40000109.7F469 T479 V480 H481 L484 L500 V503 L515F469-V517 HydrophobicContact CE1-CG2 4.27Å; F469-V517 HydrophobicContact CE2-CG2 4.1Å; F469-V517 HydrophobicContact CZ-CG2 3.64Å; T479-V517 PolarHBondContact O-N 2.8Å; V480-V517 HydrophobicContact CG2-CB 4.45Å; H481-V517 WeakPolarHBondContact CB-O 3.35Å; H481-V517 PolarHBondContact N-O 3.38Å; L484-V517 HydrophobicContact CD2-CG1 3.86Å; L500-V517 HydrophobicContact CD1-CG2 4.16Å; L500-V517 HydrophobicContact CD2-CG1 3.91Å; V503-V517 HydrophobicContact CG2-CG2 4.26Å; L515-V517 HydrophobicContact CB-CG2 4.49Å
518T95.5Very high93.8Very high30 Ų3051.2 Ų51.218%0.18426%0.261CS..  trans-109.5162.3174.877.80000110.9H481 N520 N521 L522H481-T518 HydrophobicContact CB-CG2 4.25Å; T518-N520 PolarHBondContact O-N 3.18Å; T518-N521 WeakPolarHBondContact O-CB 3.46Å; T518-N521 PolarHBondContact O-N 3.08Å; T518-N521 PolarHBondContact OG1-OD1 2.94Å; T518-L522 PolarHBondContact O-N 3.5Å
519P94.4Very high93Very high29 Ų2951.3 Ų51.319%0.18827%0.268CS..G310 helixtrans-50.5-42.2175.1-25.631.3000113.1R483 L484 N521 L522R483-P519 HydrophobicContact CB-CG 3.98Å; L484-P519 HydrophobicContact CB-CG 3.9Å; P519-N521 PolarHBondContact O-N 2.69Å; P519-N521 VanDerWaalsContact O-N 3.17Å; P519-L522 PolarHBondContact O-N 2.93Å; P519-L522 VanDerWaalsContact O-N 3.15Å
520N94.6Very high91.6Very high138 Ų13851.6 Ų51.674%0.73828%0.278SS*.G310 helixtrans-62.9-22.9179.6-65.3-29.1000113.9K501 T518K501-N520 WeakPolarHBondContact CE-O 3.49Å; T518-N520 PolarHBondContact O-N 3.18Å
521N95.3Very high90.1Very high16 Ų1650 Ų509%0.08628%0.277CS..G310 helixtrans-89.2-16.2179.5-67.3117.5000113.4L500 K501 Q502 V503 T518 P519L500-N521 CarbonylContact C-O 3.54Å; L500-N521 VanDerWaalsContact CA-O 3.29Å; L500-N521 WeakPolarHBondContact CA-O 3.4Å; K501-N521 PolarHBondContact N-O 2.79Å; K501-N521 WeakPolarHBondContact O-CA 3.16Å; K501-N521 PolarHBondContact O-ND2 2.66Å; Q502-N521 PolarHBondContact O-ND2 2.72Å; V503-N521 WeakPolarHBondContact CA-ND2 3.38Å; V503-N521 HydrophobicContact CB-CB 4.46Å; V503-N521 PolarHBondContact N-ND2 3.47Å; T518-N521 WeakPolarHBondContact O-CB 3.46Å; T518-N521 PolarHBondContact O-N 3.08Å; T518-N521 PolarHBondContact OG1-OD1 2.94Å; P519-N521 PolarHBondContact O-N 2.69Å; P519-N521 VanDerWaalsContact O-N 3.17Å
522L94.9Very high88.4Confident7 Ų743.3 Ų43.34%0.03726%0.26CS..EExtended strand (participates in β ladder)trans-94.3115.9-174-179.865.8000110.6L484 R488 L498 L500 T518 P519 R524 I525L484-L522 HydrophobicContact CD1-CD2 3.58Å; L484-L522 HydrophobicContact CD2-CB 4.37Å; L484-L522 HydrophobicContact CD2-CD2 3.83Å; L484-L522 HydrophobicContact CG-CD2 4.28Å; R488-L522 VanDerWaalsContact NH2-CD2 3.34Å; L498-L522 HydrophobicContact CB-CD1 4.12Å; L498-L522 HydrophobicContact CD2-CD1 4.08Å; L500-L522 HydrophobicContact CD2-CB 4.4Å; L500-L522 HydrophobicContact CD2-CD1 3.78Å; T518-L522 PolarHBondContact O-N 3.5Å; P519-L522 PolarHBondContact O-N 2.93Å; P519-L522 VanDerWaalsContact O-N 3.15Å; L522-R524 WeakPolarHBondContact CD1-O 3.17Å; L522-I525 HydrophobicContact CD1-CG1 4.06Å; L522-I525 HydrophobicContact CD2-CD1 3.76Å; L522-I525 HydrophobicContact CD2-CG1 3.68Å; L522-I525 HydrophobicContact CG-CG1 4.3Å
523L93.1Very high86.4Confident26 Ų2646 Ų4614%0.13627%0.273CS..EExtended strand (participates in β ladder)trans-78.4-51.7172.5-78.7169.1000111.2L499 K501 F540L499-L523 HydrophobicContact CB-CB 4.33Å; L499-L523 HydrophobicContact CD2-CB 4.07Å; L499-L523 HydrophobicContact CD2-CD1 4.08Å; L499-L523 HydrophobicContact CG-CB 4.06Å; L499-L523 HydrophobicContact CG-CD1 4.05Å; L499-L523 WeakPolarHBondContact O-CB 3.46Å; L499-L523 PolarHBondContact O-N 2.94Å; K501-L523 HydrophobicContact CB-CD1 4.01Å; K501-L523 HydrophobicContact CB-CG 4.15Å; K501-L523 HydrophobicContact CD-CD1 4.44Å; K501-L523 HydrophobicContact CD-CD2 3.76Å; K501-L523 HydrophobicContact CD-CG 3.91Å; K501-L523 HydrophobicContact CG-CD1 4.41Å; K501-L523 HydrophobicContact CG-CD2 4.4Å; K501-L523 HydrophobicContact CG-CG 4Å; L523-F540 HydrophobicContact CD1-CD1 3.79Å; L523-F540 HydrophobicContact CD1-CE1 3.79Å; L523-F540 HydrophobicContact CD2-CD1 4.06Å; L523-F540 HydrophobicContact CD2-CD2 4.32Å; L523-F540 HydrophobicContact CD2-CE1 4.34Å; L523-F540 HydrophobicContact CD2-CG 4.04Å
524R92.6Very high84Confident58 Ų5848.3 Ų48.322%0.21929%0.291CS..EExtended strand (participates in β ladder)trans-155.1150.4-176.1-175.8173.7-81.1133.7-22111.5E414 L499 L522 Y526E414-R524 VanDerWaalsContact CD-CZ 3.47Å; E414-R524 IonicContact OE1-CZ 3.22Å; E414-R524 IonicContact OE1-NE 3.62Å; E414-R524 IonicContact OE1-NH1 2.89Å; E414-R524 PolarHBondContact OE1-NH1 3.35Å; E414-R524 IonicContact OE1-NH2 3.77Å; E414-R524 PolarHBondContact OE1-NH2 3.23Å; E414-R524 IonicContact OE2-CZ 2.66Å; E414-R524 VanDerWaalsContact OE2-CZ 3.22Å; E414-R524 IonicContact OE2-NE 2.93Å; E414-R524 IonicContact OE2-NH1 2.69Å; E414-R524 PolarHBondContact OE2-NH1 2.94Å; E414-R524 IonicContact OE2-NH2 2.97Å; L499-R524 HydrophobicContact CB-CB 4.5Å; L499-R524 PolarHBondContact N-O 2.91Å; L499-R524 PolarHBondContact O-N 3.36Å; L522-R524 WeakPolarHBondContact CD1-O 3.17Å; R524-Y526 HydrophobicContact CB-CE2 4.21Å; R524-Y526 WeakPolarHBondContact CD-OH 3.39Å; R524-Y526 HydrophobicContact CG-CD2 4.37Å; R524-Y526 HydrophobicContact CG-CE1 4.47Å; R524-Y526 HydrophobicContact CG-CE2 3.99Å
525I94.3Very high81.4Confident9 Ų950.5 Ų50.55%0.04631%0.312CS..EExtended strand (participates in β ladder)trans-107.8135.1164.5-51.7179.5000107.9R488 E491 L492 A496 V497 L498 L522R488-I525 HydrophobicContact CB-CD1 4.44Å; E491-I525 HydrophobicContact CB-CB 4.18Å; E491-I525 HydrophobicContact CB-CD1 3.49Å; E491-I525 VanDerWaalsContact CB-CD1 3.49Å; E491-I525 HydrophobicContact CB-CG1 4.37Å; E491-I525 HydrophobicContact CB-CG2 4.07Å; E491-I525 HydrophobicContact CG-CD1 4.46Å; E491-I525 WeakPolarHBondContact OE2-CB 3.37Å; E491-I525 WeakPolarHBondContact OE2-CD1 3.24Å; L492-I525 HydrophobicContact CD2-CD1 3.66Å; L492-I525 HydrophobicContact CG-CD1 3.93Å; A496-I525 HydrophobicContact CB-CG2 3.82Å; V497-I525 CarbonylContact O-C 3.6Å; V497-I525 WeakPolarHBondContact O-CA 3.24Å; L498-I525 HydrophobicContact CD2-CB 4.3Å; L498-I525 HydrophobicContact CD2-CD1 4.17Å; L498-I525 HydrophobicContact CD2-CG1 3.72Å; L498-I525 HydrophobicContact CD2-CG2 3.98Å; L522-I525 HydrophobicContact CD1-CG1 4.06Å; L522-I525 HydrophobicContact CD2-CD1 3.76Å; L522-I525 HydrophobicContact CD2-CG1 3.68Å; L522-I525 HydrophobicContact CG-CG1 4.3Å
526Y93Very high78.6Confident2 Ų259.1 Ų59.11%0.00835%0.353CS..EExtended strand (participates in β ladder)trans-105.6116.7169.6-61.9-92.3000108.4A410 M411 E414 A496 V497 L499 R524A410-Y526 HydrophobicContact CB-CD1 4.19Å; M411-Y526 HydrophobicContact CB-CD1 4.29Å; M411-Y526 HydrophobicContact CB-CD2 3.7Å; M411-Y526 HydrophobicContact CB-CE1 4.2Å; M411-Y526 HydrophobicContact CB-CE2 3.59Å; M411-Y526 HydrophobicContact CB-CG 4.06Å; M411-Y526 HydrophobicContact CG-CD2 3.92Å; M411-Y526 HydrophobicContact CG-CE2 3.5Å; M411-Y526 VanDerWaalsContact CG-CE2 3.5Å; E414-Y526 WeakPolarHBondContact OE2-CE1 3.4Å; E414-Y526 VanDerWaalsContact OE2-CZ 3.29Å; E414-Y526 PolarHBondContact OE2-OH 3.12Å; A496-Y526 VanDerWaalsContact CA-O 3.31Å; A496-Y526 WeakPolarHBondContact CA-O 3.37Å; V497-Y526 HydrophobicContact CB-CD2 4.46Å; V497-Y526 HydrophobicContact CG1-CD2 4.47Å; V497-Y526 PolarHBondContact N-O 2.59Å; V497-Y526 PolarHBondContact O-N 2.98Å; L499-Y526 HydrophobicContact CB-CE2 4.27Å; R524-Y526 HydrophobicContact CB-CE2 4.21Å; R524-Y526 WeakPolarHBondContact CD-OH 3.39Å; R524-Y526 HydrophobicContact CG-CD2 4.37Å; R524-Y526 HydrophobicContact CG-CE1 4.47Å; R524-Y526 HydrophobicContact CG-CE2 3.99Å
527S90.8Very high76.1Confident33 Ų3361.8 Ų61.823%0.23137%0.366CS..  trans-71.6138.1-177.4178.50000111.6A529 G530 V531S527-A529 PolarHBondContact O-N 3.43Å; S527-A529 VanDerWaalsContact O-N 3.11Å; S527-A529 PolarHBondContact OG-N 3.06Å; S527-G530 PolarHBondContact O-N 3.3Å; S527-G530 VanDerWaalsContact O-N 3.13Å; S527-V531 WeakPolarHBondContact CB-O 3.43Å
528P85.6Confident73.2Confident57 Ų5766.9 Ų66.937%0.3740%0.399SS..THydrogen-bonded Turntrans-64.6-12.9173.327.8-34000112.9C406 G530C406-P528 PolarHBondContact SG-O 2.69Å; C406-P528 VanDerWaalsContact SG-O 3.36Å; P528-G530 VanDerWaalsContact C-N 3.31Å
529A77.4Confident70.4Confident78 Ų7871.3 Ų71.365%0.64543%0.429SS*.THydrogen-bonded Turntrans-867.1175.600000113.9S527 V531S527-A529 PolarHBondContact O-N 3.43Å; S527-A529 VanDerWaalsContact O-N 3.11Å; S527-A529 PolarHBondContact OG-N 3.06Å; A529-V531 HydrophobicContact CB-CG2 4.1Å; A529-V531 PolarHBondContact O-N 2.8Å
530G62.8Low68Low49 Ų4974.8 Ų74.851%0.50544%0.441SS..SBendtrans74.2-20.6177.600000115.8S527 P528 S532S527-G530 PolarHBondContact O-N 3.3Å; S527-G530 VanDerWaalsContact O-N 3.13Å; P528-G530 VanDerWaalsContact C-N 3.31Å; G530-S532 PolarHBondContact O-N 3.43Å; G530-S532 VanDerWaalsContact O-N 3.13Å
531V57.1Low65.6Low95 Ų9573.7 Ų73.758%0.57644%0.439SS*.  trans-7694.6170-82.30000111S527 A529 L533S527-V531 WeakPolarHBondContact CB-O 3.43Å; A529-V531 HydrophobicContact CB-CG2 4.1Å; A529-V531 PolarHBondContact O-N 2.8Å; V531-L533 PolarHBondContact O-N 3.45Å; V531-L533 VanDerWaalsContact O-N 3.13Å
532S55.6Low63.5Low54 Ų5475.2 Ų75.238%0.37845%0.447SS..  trans-7495.3168.5-62.90000109.7G530 S534G530-S532 PolarHBondContact O-N 3.43Å; G530-S532 VanDerWaalsContact O-N 3.13Å; S532-S534 PolarHBondContact O-N 3.31Å
533L51.1Low60.8Low133 Ų13382.1 Ų82.170%0.69648%0.479SS*.  trans-71.280.2172.9-68178.3000109.8V531 T535V531-L533 PolarHBondContact O-N 3.45Å; V531-L533 VanDerWaalsContact O-N 3.13Å; L533-T535 VanDerWaalsContact C-N 3.34Å; L533-T535 PolarHBondContact O-N 2.83Å
534S46.6Very low58.1Low65 Ų6584.7 Ų84.746%0.45550%0.497SS..  trans-75.283.5-178.2-163.90000111.2S532 Q536S532-S534 PolarHBondContact O-N 3.31Å; S534-Q536 PolarHBondContact O-N 2.96Å; S534-Q536 VanDerWaalsContact O-N 3.12Å
535T43.2Very low55.6Low116 Ų11688.2 Ų88.271%0.71253%0.526SS*.  trans-57.7112.4158.3-63.10000107.5L533 L537L533-T535 VanDerWaalsContact C-N 3.34Å; L533-T535 PolarHBondContact O-N 2.83Å; T535-L537 PolarHBondContact O-N 3.43Å; T535-L537 VanDerWaalsContact O-N 3.15Å
536Q39.3Very low52.6Low181 Ų18193.3 Ų93.385%0.84656%0.557SS**  trans-59.3120.1-168.1-69.8-172.916.600112.2S534S534-Q536 PolarHBondContact O-N 2.96Å; S534-Q536 VanDerWaalsContact O-N 3.12Å
537L44Very low50.1Low120 Ų12099.4 Ų99.463%0.62860%0.599SS**  trans-115.1147.1151.3-69.3176.6000107.7T535T535-L537 PolarHBondContact O-N 3.43Å; T535-L537 VanDerWaalsContact O-N 3.15Å
538P35.8Very low47.3Very low108 Ų108102.9 Ų102.970%0.70162%0.624SS**  trans-59.9154.1-178.425.3-34.8000111.5F540P538-F540 PolarHBondContact O-N 3.36Å
539P37.8Very low44.7Very low124 Ų124104.7 Ų104.781%0.80564%0.644SS**  trans-56.4111.1-175.622.4-33.7000111.1V541P539-V541 PolarHBondContact O-N 3.13Å; P539-V541 VanDerWaalsContact O-N 3.13Å
540F44Very low42.4Very low102 Ų102105.9 Ų105.945%0.44765%0.653SS.*  trans-79.197.8-178.5-174.7-109.7000109.5L523 P538 L542L523-F540 HydrophobicContact CD1-CD1 3.79Å; L523-F540 HydrophobicContact CD1-CE1 3.79Å; L523-F540 HydrophobicContact CD2-CD1 4.06Å; L523-F540 HydrophobicContact CD2-CD2 4.32Å; L523-F540 HydrophobicContact CD2-CE1 4.34Å; L523-F540 HydrophobicContact CD2-CG 4.04Å; P538-F540 PolarHBondContact O-N 3.36Å; F540-L542 HydrophobicContact CD1-CD2 4.29Å; F540-L542 HydrophobicContact CE1-CD2 3.98Å; F540-L542 PolarHBondContact O-N 3.15Å
541V42.6Very low41Very low115 Ų115111.6 Ų111.670%0.69767%0.671SS**  trans-61.3118.3168-179.60000107.9P539 E543P539-V541 PolarHBondContact O-N 3.13Å; P539-V541 VanDerWaalsContact O-N 3.13Å; V541-E543 VanDerWaalsContact C-N 3.31Å; V541-E543 PolarHBondContact O-N 3.27Å
542L51.2Low39.8Very low48 Ų48111.3 Ų111.325%0.25168%0.679SS.*  trans-67.194.5165.3-74.6174.6000107.8M415 F425 F540 P544M415-L542 HydrophobicContact CE-CD1 3.53Å; M415-L542 HydrophobicContact CE-CD2 4.24Å; M415-L542 HydrophobicContact CE-CG 3.77Å; F425-L542 HydrophobicContact CD1-CD1 4.17Å; F425-L542 HydrophobicContact CE1-CD1 3.98Å; F540-L542 HydrophobicContact CD1-CD2 4.29Å; F540-L542 HydrophobicContact CE1-CD2 3.98Å; F540-L542 PolarHBondContact O-N 3.15Å; L542-P544 WeakPolarHBondContact O-CD 3.46Å; L542-P544 WeakPolarHBondContact O-CG 3.08Å
543E38.3Very low39.4Very low151 Ų151115.2 Ų115.271%0.70670%0.703SS**  trans-51.5106.5172.3-125-69.1121.400109.3V541 T545V541-E543 VanDerWaalsContact C-N 3.31Å; V541-E543 PolarHBondContact O-N 3.27Å; E543-T545 PolarHBondContact O-N 2.97Å
544P36.7Very low38.4Very low81 Ų81112.4 Ų112.453%0.52671%0.706SS.*  trans-83.3119.4-179.63.215.7000107.3L542 V546L542-P544 WeakPolarHBondContact O-CD 3.46Å; L542-P544 WeakPolarHBondContact O-CG 3.08Å; P544-V546 HydrophobicContact CB-CG2 4.31Å; P544-V546 PolarHBondContact O-N 3.35Å
545T39.5Very low38Very low132 Ų132116 Ų11681%0.8173%0.725SS**  trans-72.375.5177.2-46.40000110.6E543E543-T545 PolarHBondContact O-N 2.97Å
546V31.8Very low38Very low116 Ų116116.4 Ų116.470%0.70373%0.73SS**  trans-114.987.2176.2-70.70000110.2P544 S548P544-V546 HydrophobicContact CB-CG2 4.31Å; P544-V546 PolarHBondContact O-N 3.35Å; V546-S548 VanDerWaalsContact C-N 3.28Å; V546-S548 PolarHBondContact O-N 2.88Å
547S40.8Very low37.9Very low129 Ų129119.1 Ų119.190%0.90273%0.732SS**  trans-66.385.7166.2-56.10000110.1
548S31.9Very low37.5Very low107 Ų107122 Ų12275%0.74874%0.743SS**  trans-156.3117.1167.8-168.30000111.8V546 A550V546-S548 VanDerWaalsContact C-N 3.28Å; V546-S548 PolarHBondContact O-N 2.88Å; S548-A550 PolarHBondContact O-N 3Å
549A32.2Very low37.7Very low94 Ų94122.4 Ų122.478%0.77775%0.745SS**  trans-84.6107.7173.300000109.9L551A549-L551 PolarHBondContact O-N 3.09Å
550A27.7Very low37.8Very low103 Ų103123.5 Ų123.585%0.85175%0.749SS**  trans-75.9103.4176.800000111.1S548S548-A550 PolarHBondContact O-N 3Å
551L34.8Very low37.5Very low169 Ų169124.2 Ų124.289%0.88577%0.767SS**PPolyproline II helixtrans-78.9144.5173.5-130.983.2000111.6A549A549-L551 PolarHBondContact O-N 3.09Å
552A30.9Very low37.1Very low89 Ų89128.1 Ų128.174%0.73677%0.769SS**PPolyproline II helixtrans-84.7153.9173.100000112
553P46.5Very low36Very low137 Ų137132.6 Ų132.689%0.8979%0.791SS**PPolyproline II helixtrans-92.1143.7-168.434.6-35.5000115.2
554G30.7Very low35.6Very low73 Ų73132.7 Ų132.775%0.75379%0.791SS**  trans176.774.6172.700000118.7
555V38.8Very low35.5Very low142 Ų142135.3 Ų135.386%0.86180%0.8SS**  trans31.6137.8132.9-173.50000120.3
556P43.6Very low35Very low124 Ų124136.3 Ų136.381%0.80580%0.795SS**  cis-129.9-167.2-638.4-18.2000115.5
557R37.6Very low34.9Very low238 Ų238139.7 Ų139.790%0.89880%0.801SS**  trans-74.6148.4-177-56.3167.1173.7161.4-4.5115.5
558E33.6Very low34.7Very low180 Ų180141.6 Ų141.684%0.84180%0.801SS**  170.6179.1110.5-88.7-166.6166.700109.9
559P41.8Very low34.8Very low117 Ų117145.8 Ų145.876%0.7681%0.808SS**  -116.2179.9-74.735.6-19.7000113.8
560V39Very low35.1Very low146 Ų146150.8 Ų150.889%0.88582%0.816SS**  trans-55132.3-171.9-1770000115
561S36.8Very low35.5Very low117 Ų117153.6 Ų153.682%0.81882%0.817SS**  trans-144.7149.3148.3-1660000112.7
562R34.6Very low36.1Very low197 Ų197153.3 Ų153.374%0.74382%0.816SS**  trans-97.7155.8-167.8129.6-164.4-177.1177.45.2111.4
563M28.1Very low36.5Very low143 Ų143155.4 Ų155.470%0.70481%0.81SS**  trans66.4158177-70149.7158.200113.4
564Q30.9Very low36.2Very low152 Ų152152.9 Ų152.971%0.7181%0.81SS**  cis-137.3168.910.5-161.3148.9-80.800110.6E566Q564-E566 PolarHBondContact NE2-OE1 3.28Å
565L33.2Very low36.5Very low137 Ų137155.6 Ų155.672%0.71780%0.801SS**  trans-112.7110.2177.8-163.7169.4000108.8F567L565-F567 HydrophobicContact CD2-CD2 3.73Å; L565-F567 HydrophobicContact CD2-CE2 3.43Å; L565-F567 VanDerWaalsContact CD2-CE2 3.43Å; L565-F567 HydrophobicContact CD2-CZ 4.24Å
566E29.5Very low36.4Very low152 Ų152159.6 Ų159.671%0.7180%0.8SS**  trans-129.8136179.4-73.3169.2-158.400108.4Q564Q564-E566 PolarHBondContact NE2-OE1 3.28Å
567F30.2Very low36.1Very low188 Ų188161.1 Ų161.183%0.82580%0.802SS**  trans-102.8131.4175.8-72.4-100.5000108.2L565L565-F567 HydrophobicContact CD2-CD2 3.73Å; L565-F567 HydrophobicContact CD2-CE2 3.43Å; L565-F567 VanDerWaalsContact CD2-CE2 3.43Å; L565-F567 HydrophobicContact CD2-CZ 4.24Å
568D35.7Very low36.1Very low168 Ų168159.3 Ų159.390%0.89880%0.8SS**  trans-104.5134.6160.3-78.3-49.3000108.6
569E35.5Very low36.1Very low195 Ų195154.5 Ų154.591%0.91180%0.799SS**  trans-81.3142.2174.3-72.3173.774.600110.5
570E37.7Very low35.7Very low199 Ų199161.1 Ų161.193%0.9381%0.809SS**  trans-92.9109176.5-168.8173.2176.500110.3
571D36.9Very low35.5Very low163 Ų163157.7 Ų157.787%0.87280%0.796SS**  trans-64.9138.9173.7-87.5-49.5000112.4
572D46.8Very low35.3Very low163 Ų163161.7 Ų161.787%0.87280%0.802SS**  trans-135.9148.5156.3-171.629.6000112.3G574D572-G574 PolarHBondContact O-N 3.22Å
573E39.9Very low35Very low132 Ų132156.1 Ų156.162%0.61781%0.806SS**  trans-96.278-147.3-155-152.3147.800115.1K575E573-K575 PolarHBondContact O-N 3.24Å; E573-K575 WeakPolarHBondContact OE1-CE 3.45Å; E573-K575 WeakPolarHBondContact OE1-CG 3.21Å; E573-K575 IonicContact OE1-NZ 2.7Å; E573-K575 PolarHBondContact OE1-NZ 3.41Å; E573-K575 IonicContact OE2-NZ 2.63Å; E573-K575 PolarHBondContact OE2-NZ 3.26Å
574G39.5Very low35.1Very low85 Ų85153.2 Ų153.288%0.87681%0.813SS**  trans-65.581.6175.200000115.6D572D572-G574 PolarHBondContact O-N 3.22Å
575K37.8Very low35.1Very low129 Ų129155.3 Ų155.356%0.56182%0.823SS**  trans-70133.5-174.5-89.5-172.2-178.669.90116.9E573E573-K575 PolarHBondContact O-N 3.24Å; E573-K575 WeakPolarHBondContact OE1-CE 3.45Å; E573-K575 WeakPolarHBondContact OE1-CG 3.21Å; E573-K575 IonicContact OE1-NZ 2.7Å; E573-K575 PolarHBondContact OE1-NZ 3.41Å; E573-K575 IonicContact OE2-NZ 2.63Å; E573-K575 PolarHBondContact OE2-NZ 3.26Å
576R35.9Very low34.9Very low226 Ų226153 Ų15385%0.85382%0.824SS**  trans74.2130.2156.6-57.8170.8-172.4-158.14.4116.3
577D37.3Very low36Very low157 Ų157150.7 Ų150.784%0.8482%0.822SS**  -143-173.868.8-158.97.9000115.1
578K36.8Very low36.1Very low199 Ų199152.7 Ų152.787%0.86582%0.824SS**  trans-97.3136.4-170.5-62.7174.3178.3175.30114.1
579G34.1Very low35.9Very low79 Ų79150 Ų15081%0.81481%0.813SS**  trans-161.7117.9161.900000113.2
580R34.4Very low35.6Very low256 Ų256149.6 Ų149.697%0.96681%0.811SS**  trans-95.9166.7159.3-64.5-175.5168.8-157.1-1.8107.9
581A33.4Very low35Very low75 Ų75150.3 Ų150.362%0.6281%0.805SS**  cis-149.6177.29.900000110.2
582E32.3Very low34.7Very low200 Ų200149.1 Ų149.194%0.93580%0.799SS**  trans37.4139.2151.2-64.6174.3112.600120.5
583G29.4Very low33.9Very low80 Ų80146.5 Ų146.583%0.82579%0.793SS**  cis143.9162.210.200000109.6
584G30.4Very low33.6Very low83 Ų83149 Ų14986%0.85681%0.805SS**  trans126.4128.9173.600000115.2
585E29.6Very low32.9Very low196 Ų196148.3 Ų148.392%0.91680%0.797SS**  trans-58168.3-172.4-69.5168.575.400118.4
586A29.6Very low32.6Very low89 Ų89149.7 Ų149.774%0.73681%0.811SS**  trans-90.9-137.4161.400000109.3
587P53.3Low32.4Very low103 Ų103148.4 Ų148.467%0.66981%0.811SS**  cis-126.6178.1-42.828.8-9.6000112.8
588R32.3Very low32Very low229 Ų229146 Ų14686%0.86481%0.807SS**  155.3127.2127.7-85.1179.4167.2178.3-2.5112.8
589V30.3Very low31.7Very low113 Ų113143 Ų14369%0.68581%0.805SS**  80.8111.566.1175.60000115
590Q29.1Very low31.3Very low186 Ų186147.2 Ų147.287%0.86981%0.809SS**  trans164.4129.6139.4-93163.510000109.6
591R26.2Very low31Very low213 Ų213138.7 Ų138.780%0.80480%0.801SS**  cis110.3127.24.2-155.7-152.7-156.4-170.58.7114
592L29.8Very low30.8Very low139 Ų139141.1 Ų141.173%0.72881%0.813SS**  trans71.8160.8174.9-46.6-179.6000114.4
593S31.2Very low30.5Very low108 Ų108142.8 Ų142.876%0.75581%0.811SS**  cis-170.8169.5-2.7240000109.4
594Q32.6Very low30.5Very low185 Ų185146.1 Ų146.186%0.86481%0.81SS**  cis170.7128.9-26.6174.1178.7-2000109.6
595G25.8Very low31.1Very low70 Ų70147.7 Ų147.772%0.72281%0.805SS**  trans153.1101.3162.300000122
596N30.7Very low31Very low158 Ų158142.4 Ų142.485%0.84580%0.795SS**  trans40.7134.1130.5-65.2-9.1000126.1
597K32Very low31Very low198 Ų198147.4 Ų147.486%0.86180%0.803SS**  trans90.2102.4135.5-84.5-173.7174.5-175.10123.3
598S28.3Very low29.8Very low108 Ų108150.8 Ų150.876%0.75581%0.81SS**  100.5151.5106.3-1590000122
599V30.9Very low29.9Very low134 Ų134147 Ų14781%0.81280%0.802SS**  trans90.8131.1167.1-169.80000117
600N26.7Very low30Very low169 Ų169149.2 Ų149.290%0.90481%0.805SS**  trans-88.1146.9-174.2-68-16000113.4
601G26.8Very low30.3Very low77 Ų77146.1 Ų146.179%0.79480%0.799SS**  trans-147.3120164.700000110.6
602S29.4Very low30.5Very low126 Ų126147.1 Ų147.188%0.88180%0.802SS**  trans-83.3135-171.4179.40000113.1
603R27Very low30.9Very low234 Ų234148.1 Ų148.188%0.88381%0.808SS**  164.7119.6116.5-172167.9-171165.51.4113.3
604N27.8Very low31.4Very low150 Ų150146.3 Ų146.380%0.80280%0.8SS**  trans-76.3174.7172.8-88.5-2.7000113.4
605P43.1Very low31.9Very low117 Ų117144 Ų14476%0.7679%0.794SS**  cis-133.2175.5-20.135.2-18.4000114.1
606A27.4Very low33.4Very low85 Ų85148.4 Ų148.470%0.70280%0.801SS**  -177.3123128.600000113.9
607Q30.9Very low34.6Very low193 Ų193147 Ų14790%0.90279%0.793SS**  trans53.994.4145.9-62174.4-27.700120.3
608Q27.5Very low35.4Very low175 Ų175144.8 Ų144.882%0.81879%0.79SS**  -150162.9115-164.1151.83.100111.2
609E34.4Very low36.7Very low148 Ų148147.3 Ų147.369%0.69280%0.795SS**  trans-53.4145.3-161.5-62.5142.4122.200119.1
610Q32Very low37.9Very low160 Ų160149 Ų14975%0.74879%0.794SS**  trans-161.5129.4149.3-104.8134.6106.700105.8
611V35.5Very low39Very low122 Ų122148.2 Ų148.274%0.73979%0.789SS**  61.2103.953.8-174.60000110.8
612W30.3Very low39.9Very low233 Ų233152.2 Ų152.288%0.88379%0.792SS**  trans-136.595.6174.4-71.790.4000108.6
613D39.7Very low40.7Very low160 Ų160149.2 Ų149.286%0.85678%0.78SS**  trans-99.2120.4149.5-79.2-46000106.2
614A40.1Very low41.6Very low70 Ų70147.4 Ų147.458%0.57978%0.782SS**  trans179.9149.4159.800000109.8
615D44.4Very low42.8Very low137 Ų137147.9 Ų147.973%0.73378%0.782SS**  trans58.5101.9156.4-42.6-28000115.4
616D56.1Low42.7Very low162 Ų162150.9 Ų150.987%0.86679%0.786SS**  cis49.572.843.5-74.8-28.5000112.9
617D56.3Low43.9Very low129 Ų129156.3 Ų156.369%0.6980%0.797SS**  trans-163.624171.9-109.3-14.2000115
618L48.8Very low44.5Very low151 Ų151154.3 Ų154.379%0.79179%0.793SS**  trans-89.7-17.1-176.2-86174.5000115.8
619D56.8Low45.5Very low161 Ų161149.7 Ų149.786%0.86178%0.784SS**G310 helixtrans-80.9-13.7-177.4-69-41.7000113.5L621D619-L621 PolarHBondContact O-N 3.48Å
620E56.1Low46.1Very low170 Ų170154 Ų15479%0.79480%0.796SS**G310 helixtrans-74-10.3175.3-152.2-177-161.200112.9L622E620-L622 VanDerWaalsContact C-N 3.28Å; E620-L622 PolarHBondContact O-N 3.19Å
621L48.3Very low46.9Very low152 Ų152151.8 Ų151.880%0.79680%0.798SS**G310 helixtrans-8614.9-177.9-151.571.3000114.7D619D619-L621 PolarHBondContact O-N 3.48Å
622L46.7Very low47.3Very low162 Ų162159.8 Ų159.885%0.84882%0.823SS**SBendtrans-122.570.2167.3-72.9178.3000110.7E620E620-L622 VanDerWaalsContact C-N 3.28Å; E620-L622 PolarHBondContact O-N 3.19Å
623G45.1Very low48.2Very low62 Ų62156.1 Ų156.164%0.63982%0.82SS**PPolyproline II helixtrans-56.8150.7176.800000113.9I625G623-I625 PolarHBondContact O-N 3.02Å
624E46.3Very low48.6Very low196 Ų196155.9 Ų155.992%0.91682%0.818SS**PPolyproline II helixtrans-47.8116.9-172.2-56.7172.4135.300113.7
625I52.6Low49.1Very low160 Ų160160.7 Ų160.782%0.82183%0.832SS**PPolyproline II helixtrans-96.2117.1158.4-63.5179.5000106.5G623 E627G623-I625 PolarHBondContact O-N 3.02Å; I625-E627 PolarHBondContact O-N 3.2Å
626Q41.4Very low49.4Very low180 Ų180162.1 Ų162.184%0.84184%0.838SS**PPolyproline II helixtrans-62117.8-175.5-65.7-175.1-74.500111.7D628Q626-D628 VanDerWaalsContact C-N 3.3Å; Q626-D628 PolarHBondContact O-N 2.89Å
627E53.1Low48.9Very low200 Ų200162.1 Ų162.194%0.93584%0.836SS**  trans-77.176.6168.9-64.2-171.3168.100110.3I625I625-E627 PolarHBondContact O-N 3.2Å
628D43Very low48.5Very low151 Ų151164.3 Ų164.381%0.80785%0.846SS**  trans-150.7153.7170.8-131.8-31.5000114.2Q626Q626-D628 VanDerWaalsContact C-N 3.3Å; Q626-D628 PolarHBondContact O-N 2.89Å
629A47.9Very low48.4Very low77 Ų77165.2 Ų165.264%0.63685%0.85SS**  trans59.369.8172.400000119.2
630Y47.8Very low47.8Very low240 Ų240165.5 Ų165.594%0.94185%0.849SS**  trans-137.696.3136.6-91.5-67.5000112.4
631S47.7Very low47.1Very low113 Ų113165.2 Ų165.279%0.7985%0.853SS**  trans-119.3117.1157.3-720000108.2
632F45.4Very low47Very low289 Ų289166.4 Ų166.4100%1.26886%0.858SS**  trans-169.10151.3-98.8-60000110.2

Retrieved 632 of 632 residues in 231.1 ms (Link to these results)