A0A087X216_HUMAN Loading...

Family with sequence similarity 13 member C

AlphaFold DB , UniProt , Accession A0A087X216, Species HUMAN (Homo sapiens, Human), Gene FAM13C, Length 605 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
1M36.3Very low36Very low224 Ų224149.5 Ų149.5100%1.10379%0.785SS**  0111.70-63.6160.3-171.600105.5
2F33.4Very low35.6Very low205 Ų205150.3 Ų150.390%0.89979%0.791SS**  63128.298-69.3-65.4000112.7
3S32.7Very low35.4Very low102 Ų102145.5 Ų145.571%0.71378%0.777SS**  cis-146.7158.74.2-170.20000112.1
4C37.7Very low35Very low107 Ų107149.3 Ų149.372%0.72378%0.784SS**  trans-70.5157.9156.3-69.40000110
5F41.3Very low34.8Very low190 Ų190145.7 Ų145.783%0.83378%0.776SS**  trans-132.8129.4151.5-136.7-91.5000108.8F7F5-F7 HydrophobicContact CE1-CE2 4.38Å
6C36.8Very low34.5Very low107 Ų107142.8 Ų142.872%0.72377%0.771SS**  trans-99.6155.6173.6-60.70000108.6
7F35.8Very low34.4Very low195 Ų195141.4 Ų141.486%0.85577%0.768SS**  trans-122142.9156.1-112.5-87.9000109.8F5F5-F7 HydrophobicContact CE1-CE2 4.38Å
8S33.5Very low34.4Very low92 Ų92141.1 Ų141.164%0.64377%0.772SS**  trans-162.9156.1-174.2-171.20000108
9L38.5Very low34.4Very low138 Ų138139.5 Ų139.572%0.72377%0.767SS**  trans68.8154.4177.6-44.1178.9000113.7
10Q32.9Very low34.6Very low150 Ų150139.4 Ų139.470%0.70177%0.771SS**  cis-148159.9-4.5-161.985.249.500108.5
11D37.8Very low34.6Very low135 Ų135141.3 Ų141.372%0.72277%0.774SS**  trans-58.4145.5154.8-55.8-94000111.7
12N30.7Very low34.4Very low159 Ų159136.7 Ų136.785%0.8576%0.762SS**  -171.6155.5121.5-102.1-44.7000115
13S32.7Very low34.4Very low87 Ų87134 Ų13461%0.60876%0.757SS**  trans-57.1145.5169.2170.30000113.5
14F30.7Very low34.5Very low199 Ų199138.5 Ų138.587%0.87377%0.767SS**  -171176109.2-104.9-71.6000112.9
15S30.9Very low34.4Very low95 Ų95140.6 Ų140.666%0.66477%0.771SS**  trans-107.3176.5-163.260.60000114.6
16S30.9Very low35.1Very low100 Ų100136.2 Ų136.270%0.69976%0.762SS**  trans101109.2151.5-52.10000119.7
17T32.5Very low34.8Very low118 Ų118137.5 Ų137.572%0.72477%0.766SS**  68.799.3123-42.90000121.6V19T17-V19 HydrophobicContact CG2-CG2 3.92Å
18T34.4Very low34.8Very low136 Ų136133.5 Ų133.583%0.83476%0.762SS**  trans-142.6132.6132.649.60000106
19V34.1Very low34.8Very low111 Ų111136.3 Ų136.367%0.67377%0.769SS**  cis69.792.634.3-172.60000113.1T17T17-V19 HydrophobicContact CG2-CG2 3.92Å
20T38.2Very low34.6Very low138 Ų138138.6 Ų138.685%0.84778%0.776SS**  trans-147.5130.2150.845.40000107.7
21E34.8Very low35Very low179 Ų179139 Ų13984%0.83678%0.778SS**  trans-87164.2-179.5-64.9146.9114.500112.7
22C32.3Very low35.1Very low128 Ų128140.4 Ų140.487%0.86579%0.785SS**  trans159.797.3148.6-88.80000106.3
23D32.3Very low35.5Very low148 Ų148140.4 Ų140.479%0.79178%0.78SS**  8389.957.7-167.2-9.2000112.5
24E35.9Very low35.7Very low196 Ų196143.1 Ų143.192%0.91679%0.793SS**  trans-156.8115.7139.546.5-169.2115.700110.9
25D36.2Very low36.2Very low151 Ų151140.1 Ų140.181%0.80779%0.786SS**  trans-101.8-179176.7-135-8.6000109
26P54.6Low36.2Very low99 Ų99142.2 Ų142.264%0.64380%0.799SS**  cis-131.4-169.2-21.533.4-12.7000112.6
27V31Very low36.6Very low134 Ų134143.2 Ų143.281%0.81281%0.806SS**  164.8141.5122.6155.50000114.2
28S35.3Very low36.5Very low111 Ų111142.8 Ų142.878%0.77681%0.808SS**  trans80.396.4165.3-149.30000119.2
29L33.8Very low36.5Very low150 Ų150144.1 Ų144.179%0.78581%0.81SS**  trans-57.7152.4150.7-61.4156.8000111.4
30H34Very low36.8Very low187 Ų187148.3 Ų148.387%0.86681%0.813SS**  -153.9136.4119.3-158.1-77.7000109.1
31E41.9Very low36.6Very low158 Ų158148.7 Ų148.774%0.73881%0.81SS**  trans-92.4154.9177.2-62.2159.2101.300110
32D40.8Very low37Very low165 Ų165147.5 Ų147.588%0.88280%0.804SS**  trans-152.2162.6137.3-145-14.5000111.1
33Q39.4Very low37.3Very low158 Ų158148.3 Ų148.374%0.73880%0.8SS**  trans-130.5141.1-157.4173.4177.694.600110.9
34T35.8Very low37.4Very low144 Ų144148.2 Ų148.288%0.88380%0.8SS**  trans-162.2133.6155.4-4.40000112.1
35D41.8Very low37.7Very low136 Ų136145.8 Ų145.873%0.72779%0.786SS**  trans-77.5152.3177.6-63.6-83.6000113.6
36C31.1Very low37.8Very low139 Ų139145.7 Ų145.794%0.93978%0.781SS**  trans-156.4124.6139.1-1020000111.2
37S38.2Very low36.9Very low121 Ų121148.7 Ų148.785%0.84679%0.791SS**  trans-116.8138.5169.8-68.60000109.7
38S31.8Very low37.1Very low110 Ų110152.6 Ų152.677%0.76979%0.793SS**  trans-180158.4136.9-150.70000115
39L34Very low37.8Very low164 Ų164152.7 Ų152.786%0.85979%0.791SS**  trans76.5159.7155.4-81.3158.7000120.9
40R39.5Very low37.7Very low199 Ų199153.4 Ų153.475%0.75180%0.796SS**  trans-129.1152.2-155.9-60.7170.2169-105.93.2112
41D35.2Very low37.6Very low146 Ų146148.7 Ų148.778%0.78179%0.789SS**  -179136.3107.1-86.6-17.5000107.1
42E42.2Very low37Very low153 Ų153145.1 Ų145.172%0.71579%0.794SS**  cis74.7139.137.7-66.1-68.591.700115.8
43N39.1Very low36.6Very low146 Ų146142 Ų14278%0.78179%0.792SS**  trans72.5135.4172.4-132.622.9000116.2
44N33.3Very low36.2Very low145 Ų145142.5 Ų142.578%0.77580%0.798SS**  cis-149.1165.4-5.8-156.1-5.7000111.4
45K42.8Very low36.2Very low146 Ų146140.8 Ų140.864%0.63579%0.788SS**  trans-147.6139.1-178-176.9169.1176.9-82.50112
46E38.3Very low35.7Very low149 Ų149142.6 Ų142.670%0.69679%0.792SS**  trans60.9129.5164.8-73.9155176.300120.4
47N35.9Very low35.7Very low161 Ų161142.9 Ų142.986%0.86178%0.779SS**  trans-153.2166.5132.8-134.4-69.5000113.6
48Y35.4Very low35.4Very low217 Ų217145 Ų14585%0.85178%0.775SS**  trans-100.3168.9-177.5-114.1-117.4000111.6
49P49.1Very low35.5Very low113 Ų113144.1 Ų144.173%0.73478%0.775SS**  trans-100.2144.3171.436.5-30.8000113.5
50D32Very low35.8Very low165 Ų165142.1 Ų142.188%0.88277%0.772SS**  trans-164.6166.5145.3-1557.1000113.7
51A31Very low36.1Very low87 Ų87137.9 Ų137.972%0.71977%0.77SS**  trans60.989.915200000120.4
52G30.5Very low35.6Very low83 Ų83136.5 Ų136.586%0.85677%0.772SS**  trans-90.8-166.6173.900000117.8
53A32.9Very low34.9Very low100 Ų100140.8 Ų140.883%0.82678%0.781SS**  trans-172.4117.3159.600000114.4
54L30.6Very low34.4Very low168 Ų168142.1 Ų142.188%0.8878%0.783SS**  trans62.2145.5136.2-142.372.2000124
55V34.8Very low34.6Very low108 Ų108141.6 Ų141.666%0.65579%0.788SS**  trans96.8116156-173.40000119.3
56E31.3Very low34Very low175 Ų175143.7 Ų143.782%0.81880%0.8SS**  trans40.5150.9145.3-69.5169.2152.200122.6
57E31Very low33.8Very low145 Ų145145.1 Ų145.168%0.67881%0.806SS**  cis-158.1178-19.8-146.5-154.1123.900109.4
58H32.7Very low33.4Very low165 Ų165147.1 Ų147.176%0.76481%0.811SS**  trans70.3145.1167.7-58.1-32.1000119.7
59A34.4Very low33.1Very low91 Ų91143.4 Ų143.475%0.75281%0.805SS**  trans-125.3162.6173.600000110.5
60P40.8Very low32.2Very low123 Ų123144.5 Ų144.580%0.79981%0.81SS**  trans-137.9-164.5137.944.9-31.6000110.9
61P44.6Very low32.3Very low109 Ų109144.8 Ų144.871%0.70881%0.806SS**  -126166.7-102.631.7-10.3000115.9
62S24.8Very low32.3Very low118 Ų118145.3 Ų145.383%0.82581%0.81SS**  trans-84.5151.5172.453.80000113.2
63W27.3Very low32.2Very low242 Ų242147.7 Ų147.792%0.91781%0.808SS**  trans-104.5148.4174.9-76.167.7000112.7
64E30Very low32.1Very low175 Ų175148.5 Ų148.582%0.81880%0.803SS**  trans-85.3171.7173.2-58.5-179.8123.600112.3
65P37Very low32.1Very low134 Ų134148 Ų14887%0.8780%0.8SS**  trans-127.9156.213236.5-29.7000114
66Q29.8Very low32.1Very low190 Ų190149.2 Ų149.289%0.88881%0.807SS**  trans-96.1161.6-163.1-161.4177-72.100114.5
67Q33.7Very low32.2Very low178 Ų178146.7 Ų146.783%0.83280%0.799SS**  trans-79.2161.5-179.3-60.3173.9-10.800114.9
68Q28.8Very low32.2Very low204 Ų204145.6 Ų145.695%0.95381%0.808SS**  trans-142.3163.9148.4-116.5176.73.700111.1
69N27.7Very low32.3Very low138 Ų138142.7 Ų142.774%0.73880%0.802SS**  trans-145.6140.1-153.8170.330.5000112.4
70V31Very low32.3Very low136 Ų136146.5 Ų146.582%0.82481%0.808SS**  trans-145.9150.4156.2-177.50000109.6
71E33.9Very low32.1Very low171 Ų171151.1 Ų151.180%0.79981%0.81SS**  trans-79.8157.3-157-64152.395.200118.6
72A30.1Very low32.6Very low99 Ų99150.6 Ų150.682%0.81881%0.807SS**  trans-150.1158.8164.600000110.5
73T29.6Very low33Very low132 Ų132150.8 Ų150.881%0.8181%0.808SS**  trans-159.3172-168.2-39.90000114
74V31.3Very low33.6Very low117 Ų117147.3 Ų147.371%0.70980%0.804SS**  trans96.9101160.2-175.30000118.7
75L30.2Very low33.8Very low157 Ų157142.6 Ų142.682%0.82280%0.802SS**  trans58.5154.8142.6-94.762.1000120.5
76V35Very low34Very low134 Ų134142.7 Ų142.781%0.81280%0.795SS**  cis-133.3158.35.6-171.80000110.7
77D31.8Very low34.4Very low122 Ų122142.8 Ų142.865%0.65279%0.793SS**  trans-83.4159.4177.2178.538.7000115.4V79D77-V79 VanDerWaalsContact OD1-CG2 3.25Å; D77-V79 WeakPolarHBondContact OD1-CG2 3.25Å
78S30.8Very low34.5Very low122 Ų122142.8 Ų142.885%0.85379%0.79SS**  trans-167.4125.5160.1-78.80000111.8
79V36.3Very low35.2Very low105 Ų105138.3 Ų138.364%0.63678%0.781SS**  trans-128.7143.1-170.1-167.80000111.3D77D77-V79 VanDerWaalsContact OD1-CG2 3.25Å; D77-V79 WeakPolarHBondContact OD1-CG2 3.25Å
80L33.6Very low35.9Very low170 Ų170143.8 Ų143.889%0.8979%0.792SS**  172.9151129.2-90.8156.3000116.6
81R36.8Very low36.2Very low221 Ų221146.7 Ų146.783%0.83479%0.793SS**  trans-83.6179.6-162.7-85.2-80.7-64.1165.40.7115.1
82P54.8Low37Very low98 Ų98143.4 Ų143.464%0.63679%0.787SS**  trans-105.3-171.4-156.343.4-38.8000115.1
83S33.6Very low37.4Very low121 Ų121147.8 Ų147.885%0.84679%0.787SS**  trans-129.8163.8171.4-168.10000113.1
84M39.5Very low37.5Very low170 Ų170145.8 Ų145.884%0.83778%0.779SS**  trans-125.3150.1-173.6-77.3-91.2-72.500111.2
85G33.8Very low37.9Very low75 Ų75147.9 Ų147.977%0.77379%0.785SS**  trans-161.8116.3175.100000114.5
86N42.2Very low38.1Very low136 Ų136149.9 Ų149.973%0.72779%0.787SS**  trans-97.8161.8172.1-56.8-74.3000110.2
87F37.1Very low38.3Very low193 Ų193152.4 Ų152.485%0.84679%0.787SS**  trans-177106.7132-98.4-61.9000116.4
88K36.4Very low38.6Very low177 Ų177150.8 Ų150.877%0.7779%0.79SS**  trans29.7101.3135.6-57.8-177.7-177.2179.80121.9
89S43.7Very low38.7Very low111 Ų111153.7 Ų153.778%0.77679%0.79SS**  42.5125.4121.264.80000123.3
90R41.8Very low38.6Very low252 Ų252154.1 Ų154.195%0.95180%0.798SS**  trans-154.5152.5145.4-133.6176.5-176-173.21.7114.3
91K36.9Very low38.5Very low197 Ų197149.4 Ų149.486%0.85779%0.791SS**  trans-158.9176.6175.1-102.1-173.4-178.7-179.60106.4
92P52.3Low38.7Very low103 Ų103150.7 Ų150.767%0.66980%0.796SS**  cis-132.1-154.6-5.229.7-4.5000112.8
93K38.3Very low37.5Very low190 Ų190151.4 Ų151.483%0.82680%0.803SS**  trans90.6152.3159.6-64.7-177.5-179.2-177.80118.4
94S32.1Very low37.3Very low90 Ų90155 Ų15563%0.62981%0.806SS**  cis176.5157.5-32.8530000110.4
95I38.8Very low37Very low162 Ų162149.7 Ų149.783%0.83180%0.795SS**  trans142.3148.2143.6-75.1156.2000114
96F35.3Very low36.8Very low198 Ų198155.2 Ų155.287%0.86880%0.801SS**  trans-75.7153.8177.5-85.4-119.4000114
97K37.4Very low36.4Very low187 Ų187153.5 Ų153.581%0.81380%0.799SS**  -170.4161.6105.6-111.1-162.7173.4-154.40113.4
98A39.1Very low36.3Very low88 Ų88152.6 Ų152.673%0.72780%0.798SS**  trans-137.5150.8163.900000108.1
99E32.3Very low36Very low183 Ų183152.2 Ų152.286%0.85580%0.798SS**  trans-161.8173.8149.9-140.1168132.100111.9
100S34.4Very low35.5Very low114 Ų114154.1 Ų154.180%0.79781%0.806SS**  trans-99169.1-170.6-174.20000113.1
101G31.4Very low35Very low72 Ų72149.6 Ų149.674%0.74280%0.795SS**  trans-171143.6169.200000112.7
102R41.7Very low34.7Very low248 Ų248148.2 Ų148.294%0.93679%0.792SS**  trans-136.2145.5-178.4-68.2-173.9-179.5-166.12.4113.2
103S30.1Very low33.5Very low112 Ų112149.1 Ų149.178%0.78380%0.795SS**  trans-165.4143.7154.352.90000106.6
104H29.6Very low33.1Very low198 Ų198146.2 Ų146.292%0.91779%0.793SS**  cis74.812222.2-152.737.7000113.6
105G33.4Very low32.9Very low58 Ų58147.6 Ų147.660%0.59880%0.802SS**  cis-167.1-150.71.600000113.9
106E27.7Very low32.3Very low191 Ų191145.5 Ų145.589%0.89380%0.802SS**  trans75155.1176-68.2-170.675.700119.2
107S35.2Very low32.1Very low99 Ų99144.9 Ų144.969%0.69280%0.802SS**  cis-178.1177.4-33.5-97.10000109.4
108Q33.5Very low31.8Very low175 Ų175140.3 Ų140.382%0.81879%0.794SS**  trans83.4113.6-176.1-55.317519.500113.8
109E32Very low31.3Very low168 Ų168144.6 Ų144.679%0.78580%0.799SS**  cis92117.834.9-65.4179.8123.900115
110T31.6Very low31.1Very low152 Ų152141.5 Ų141.593%0.93380%0.796SS**  trans-166.9142.7145.600000108.3
111E31.8Very low30.9Very low156 Ų156144.6 Ų144.673%0.72980%0.797SS**  trans-124.2178.1-163.6-59.3-168.9110.600114.3
112H30Very low30.8Very low169 Ų169147.1 Ų147.178%0.78280%0.798SS**  trans74.4153.4167.4-63.6-65.9000116.8
113V28.9Very low30.4Very low121 Ų121146.8 Ų146.873%0.73380%0.797SS**  cis-151165.114.383.90000114.5
114V28.4Very low30.5Very low130 Ų130146 Ų14679%0.78880%0.798SS**  trans79.9135.8161.7161.90000119.7
115S28.5Very low30.5Very low118 Ų118140.4 Ų140.483%0.82579%0.793SS**  trans-128159.4173.9-46.90000109.8
116S25.9Very low30.6Very low118 Ų118144 Ų14483%0.82580%0.804SS**  trans-158168.5156.7-143.40000114.3
117Q30.3Very low32Very low185 Ų185140.9 Ų140.986%0.86480%0.8SS**  trans-68.1171.5-176.3-54.6158.7-3.100112
118S32.5Very low31.8Very low92 Ų92139.9 Ų139.964%0.64380%0.798SS**  cis-143-159.56.952.50000109.1
119E28.3Very low31.6Very low178 Ų178139.3 Ų139.383%0.83280%0.795SS**  cis-157.5-147.75.3-148.1149.9117.300112.2
120C27.4Very low31.6Very low117 Ų117138.9 Ų138.979%0.79179%0.793SS**  trans-114.3154.3-174.4-65.30000113.7
121Q30.9Very low31.4Very low179 Ų179136.2 Ų136.284%0.83678%0.78SS**  155.3114.9107.3-171.2159.276.900115
122V28.8Very low32.3Very low125 Ų125133.6 Ų133.676%0.75878%0.777SS**  trans29.7124.4135.3-174.40000117.6
123R32.9Very low32.5Very low241 Ų241133.2 Ų133.291%0.90978%0.776SS**  -162.5157.270.2-154.5166.6-170.5-169.91.9114.7
124A33.6Very low32.6Very low97 Ų97133.4 Ų133.480%0.80277%0.772SS**  trans-108.2170.117900000113.5
125G28.4Very low32.6Very low80 Ų80134.5 Ų134.583%0.82577%0.774SS**  trans-178.764.5178.900000117.4
126T35.5Very low32.7Very low134 Ų134132 Ų13282%0.82276%0.76SS**  trans-91.9-175.2161.724.40000110.8
127P57Low33.1Very low125 Ų125136 Ų13681%0.81276%0.763SS**  cis-114.5-131.1-8.921.95.1000110
128A31.3Very low33Very low78 Ų78136.9 Ų136.965%0.64576%0.764SS**  cis-164.4154.2-1.200000112.6
129H29.9Very low32.8Very low163 Ų163137.9 Ų137.976%0.75577%0.77SS**  trans60.7157.8159.5-96.3-129.4000118.3
130E31.7Very low32.9Very low158 Ų158137.5 Ų137.574%0.73877%0.768SS**  cis-149.8131.95.8-154.5150-118.700106.6
131S27.8Very low33.1Very low96 Ų96138.8 Ų138.867%0.67176%0.762SS**  63.814068.1-144.30000115.3
132P49.5Very low33.1Very low102 Ų102135.8 Ų135.866%0.66276%0.756SS**  cis-143.2-168.4-44.742.9-26.5000114.9
133Q34.4Very low33.3Very low161 Ų161136 Ų13675%0.75276%0.758SS**  trans80.6107.8147.6-77.9-176.1-19.700124.1
134N30.6Very low33.1Very low124 Ų124135.3 Ų135.366%0.66376%0.755SS**  90.8146.9115.9-74.1-14.3000124.5
135N28.3Very low32.9Very low154 Ų154137.4 Ų137.482%0.82475%0.752SS**  trans80.2146.5163.5-51.6-55.1000118.1
136A31.6Very low33.2Very low64 Ų64140.5 Ų140.553%0.52975%0.745SS.*  cis177.3168.9-35.500000108.6
137F33.8Very low33.4Very low203 Ų203139.5 Ų139.589%0.8974%0.741SS**  trans70.1152177-47.5-78.8000114.5
138K29Very low32.4Very low203 Ų203143.2 Ų143.288%0.88374%0.739SS**  cis-140.5163.912.3-170.4177.7176.5-175.60111
139C27.6Very low32.5Very low113 Ų113146.5 Ų146.576%0.76474%0.744SS**  trans-104-178.4-168.4-51.80000115.3
140Q31.7Very low32.6Very low171 Ų171145.3 Ų145.380%0.79974%0.743SS**  trans83.7146.9162.5-67.8-171.4-63.600118.7
141E31Very low32.8Very low144 Ų144146.7 Ų146.767%0.67375%0.749SS**  cis-166.4176.2-23-155.8170.3128.800110.5
142T30.9Very low33Very low116 Ų116154 Ų15471%0.71276%0.763SS**  trans73125.5172.469.10000116.3
143V33Very low32.4Very low129 Ų129155.8 Ų155.878%0.78277%0.771SS**  cis72.7114.844.6-177.40000110.5
144R28.5Very low32.2Very low226 Ų226152.6 Ų152.685%0.85377%0.773SS**  cis-137.8-152.529.8-134158.7177.5-179.90109.5
145L28.8Very low32.4Very low142 Ų142154.1 Ų154.174%0.74378%0.779SS**  cis-156.5162.43.3-136.1-176.3000110
146Q34.2Very low32.7Very low144 Ų144151.3 Ų151.367%0.67377%0.772SS**  trans-158.8151.7165.9-110.8-85.9-10.200107.3
147P41.5Very low33Very low113 Ų113154.6 Ų154.673%0.73479%0.788SS**  -151142.4105.436.6-19000116.8
148R36.1Very low32.9Very low203 Ų203152.9 Ų152.977%0.76678%0.78SS**  trans-68.1159.3152.9-72.7-176.5174.2-178.6-0.5111.1
149I31.6Very low32.8Very low147 Ų147150 Ų15075%0.75477%0.774SS**  trans-131.2117.8157.9-60.9179.2000109Q151I149-Q151 HydrophobicContact CG2-CG 4.24Å
150D33.3Very low32.9Very low138 Ų138147.6 Ų147.674%0.73876%0.762SS**  trans-96143.2159-77-63.7000108.6
151Q36.4Very low32.6Very low187 Ų187149.8 Ų149.887%0.87477%0.769SS**  trans-143.3153.7160.9-76.6-154.697.100112I149I149-Q151 HydrophobicContact CG2-CG 4.24Å
152R31.8Very low32.6Very low251 Ų251150.2 Ų150.295%0.94777%0.772SS**  trans-113.8165-176.6-73.2-176173-169.8-1.2112.6
153T36.4Very low32.6Very low138 Ų138150.8 Ų150.885%0.84778%0.775SS**  trans-70.3143.9-176.9-36.10000115.7
154A30Very low32.5Very low94 Ų94153.1 Ų153.178%0.77777%0.77SS**  trans-16492.6155.200000116.2
155I33.8Very low32.6Very low157 Ų157148.3 Ų148.381%0.80576%0.757SS**  trans36.4119.5130.1-55.7173.4000122.1
156S35.4Very low32.5Very low95 Ų95146.8 Ų146.866%0.66475%0.75SS**  trans53.6147.4134-147.80000122.8
157P38.4Very low32.6Very low133 Ų133146.4 Ų146.486%0.86475%0.751SS**  -129.9-172.697.140.5-33.6000114.9
158K30.6Very low32Very low166 Ų166148.1 Ų148.172%0.72275%0.754SS**  trans-142.9144.6-158.4171-164166.7-168.90110.8
159D27Very low32Very low143 Ų143144.9 Ų144.977%0.76575%0.748SS**  trans175136.2132.8-83-23000108.6
160A29.7Very low31.9Very low63 Ų63144.2 Ų144.252%0.52175%0.746SS.*  cis96.6109.92500000114.4
161F26Very low31.8Very low216 Ų216142.3 Ų142.395%0.94774%0.744SS**  trans-137.7118.6147.3-109.8-79.2000108.8
162E32.1Very low31.6Very low154 Ų154141.2 Ų141.272%0.7274%0.743SS**  trans-92.6160.8168.9-64.1171.487.500109.9
163T29.2Very low31.9Very low128 Ų128136.6 Ų136.679%0.78574%0.736SS**  -172.5109.6129.7-76.50000105.5
164R31.1Very low31.6Very low177 Ų177138 Ų13867%0.66873%0.731SS**  66.5145.676-79.6-178.8142.8-120.4-4.2111.8
165Q31.1Very low31.9Very low125 Ų125141.4 Ų141.458%0.58474%0.735SS**  cis-153.7-179.812.8-117.5158.1-90.900107.4
166D26.3Very low31.7Very low111 Ų111140 Ų14059%0.59473%0.725SS**  cis-150.6173.59.9-130.7-35.6000112.7
167L36.6Very low31.9Very low135 Ų135139.9 Ų139.971%0.70773%0.729SS**  trans-43.9164.6166-54.4161.6000113.9
168N28.1Very low31.7Very low149 Ų149140.6 Ų140.680%0.79773%0.725SS**  174.6164.354.9-170.6-102.5000108
169E37.3Very low31.6Very low135 Ų135141 Ų14163%0.63173%0.73SS**  cis-172.7164.4-38.6-178.552.185.600107.7
170N30Very low32Very low134 Ų134139.3 Ų139.372%0.71773%0.729SS**  trans67.5157170.6-91.6-61000117
171S30.8Very low32.3Very low98 Ų98143.6 Ų143.669%0.68574%0.743SS**  cis-158.8176.2-11-155.10000112.5
172L32.3Very low32.6Very low163 Ų163141.4 Ų141.485%0.85374%0.74SS**  trans98.9139155.5-135.879.1000120.5
173L37.9Very low32.3Very low155 Ų155139.6 Ų139.681%0.81274%0.743SS**  trans-123.7178-177.3-68.1162.8000109.9
174K30.3Very low32.4Very low167 Ų167139.3 Ų139.373%0.72675%0.747SS**  trans73.7156.4178.6-58.6-178.5174.5-177.40113
175L35.7Very low32.3Very low165 Ų165134.9 Ų134.986%0.86475%0.748SS**  cis-102.2130.110.3-55.3159.5000109.6
176Q30.5Very low32.1Very low128 Ų128138.2 Ų138.260%0.59876%0.761SS**  64.3121.551.2-168.1166.4-9.900113.5
177A39.8Very low32.3Very low92 Ų92140 Ų14076%0.7677%0.77SS**  trans-109.6126.7176.500000111.1
178L33.3Very low31.8Very low148 Ų148138.6 Ų138.678%0.77577%0.767SS**  trans-150.7166.5156.3-72.8-177.1000104.3
179E28.7Very low31.8Very low176 Ų176137.6 Ų137.682%0.82276%0.761SS**  cis-131.7170.219.3-69.6169.9141.100112.3
180S34.3Very low31.3Very low106 Ų106137.6 Ų137.674%0.74176%0.761SS**  trans-95.5-179.6169.8-58.70000111
181D36.3Very low31.2Very low154 Ų154138.8 Ų138.882%0.82476%0.763SS**  trans-34.7130.9177.2-54.3-71.4000116.7
182L31.7Very low31.1Very low169 Ų169143 Ų14389%0.88577%0.772SS**  trans-134.9132.2144.4-91.2106.9000109.8
183C26.9Very low30.9Very low116 Ų116138.8 Ų138.878%0.78476%0.76SS**  trans-93.1150.4177.6-67.30000112.4
184S32.1Very low30.5Very low123 Ų123136 Ų13686%0.8676%0.759SS**  trans18.3120.8149.5-51.20000120.5
185A27.8Very low30.4Very low83 Ų83136.5 Ų136.569%0.68676%0.764SS**  trans-158.9102.3155.200000113.8
186F27.3Very low30Very low196 Ų196134.9 Ų134.986%0.8676%0.761SS**  trans53.9154146-52.3-70.8000120.5
187L29.8Very low29.8Very low148 Ų148137.9 Ų137.978%0.77578%0.775SS**  cis-134.6169.812.4-69.6164.4000107.9
188T27.3Very low29.1Very low105 Ų105137 Ų13764%0.64477%0.774SS**  cis-164.8170.3-2.913.30000107.9
189N26.7Very low28.8Very low129 Ų129136.5 Ų136.569%0.6978%0.777SS**  cis-98.4-89.5-8.5-54.5-79.8000111.3
190Q27.6Very low28.8Very low135 Ų135136.6 Ų136.663%0.63178%0.775SS**  cis-169154.9-13.4-149.7141.8-31.800107.3
191E28.2Very low28.2Very low158 Ų158138.2 Ų138.274%0.73878%0.775SS**  cis-132.8-97.23.8-167.178.49100109.9
192E28.3Very low28.8Very low188 Ų188136.6 Ų136.688%0.87977%0.773SS**  trans-143.8160.3-175.6-113.6-173.882.400108.6
193A27.8Very low28.5Very low74 Ų74132.8 Ų132.861%0.61277%0.766SS**  cis-154.9165.61.400000111.6
194A29.1Very low29.5Very low96 Ų96133.1 Ų133.179%0.79377%0.767SS**  trans44.4156.4142.600000124
195Q29.2Very low29.4Very low178 Ų178131.3 Ų131.383%0.83276%0.759SS**  cis-173.3130-27-178.5172.983.600111.2
196V28.2Very low29.5Very low131 Ų131132.5 Ų132.579%0.79476%0.763SS**  trans68.8164.5154.2171.90000120.6
197H25.9Very low29.7Very low191 Ų191128.9 Ų128.988%0.88476%0.757SS**  trans-72.6165.7-173-46.4-41.3000116.4
198G25.5Very low29.8Very low73 Ų73130.5 Ų130.575%0.75376%0.76SS**  trans166.779152.500000121
199V26.7Very low30Very low138 Ų138130.2 Ų130.284%0.83676%0.763SS**  trans25.8116.4135.9-178.20000121.2
200K27.8Very low30.2Very low178 Ų178129.8 Ų129.877%0.77476%0.764SS**  trans82.7122.2136.7-174.7172.9-179178.80123.6
201D23Very low30.3Very low139 Ų139130.9 Ų130.974%0.74377%0.774SS**  trans39.2162.1143.3-79.2-45.4000123.9
202P47.3Very low30.6Very low120 Ų120127.2 Ų127.278%0.77977%0.771SS**  cis-133.6-156.3-10.631.5-6.9000114.8
203A25.7Very low30.8Very low90 Ų90125.2 Ų125.274%0.74477%0.766SS**  trans-81.4-161.4-177.200000114.6
204P48.9Very low31.1Very low122 Ų122124.2 Ų124.279%0.79276%0.763SS**  cis-152.5-172.71845.5-22.7000121
205A29.1Very low31.5Very low86 Ų86126 Ų12671%0.71176%0.764SS**  trans100.3149.6134.500000126.3
206S29.1Very low31.5Very low108 Ų108123.9 Ų123.976%0.75576%0.759SS**  trans84.3152.5152.6-59.20000122.2
207T32.3Very low31.7Very low119 Ų119122.2 Ų122.273%0.7375%0.753SS**  cis-172.1152.5-25.733.20000113.2
208Q31.9Very low31.9Very low182 Ų182117.6 Ų117.685%0.8575%0.748SS**  trans66.8159.8153.8-76.5-173.6-30.200120.9
209S31.9Very low32.2Very low100 Ų100121.2 Ų121.270%0.69975%0.75SS**  cis-178.7-175.3-21.567.20000109.2
210V29.8Very low33.3Very low119 Ų119119.2 Ų119.272%0.72174%0.74SS**  cis-167.3155.8-5.392.70000112.8
211L31.3Very low33.4Very low159 Ų159116.3 Ų116.383%0.83274%0.742SS**  trans56.8157.6164.2-89.969.9000121
212A33.8Very low34.2Very low81 Ų81115.5 Ų115.567%0.66974%0.744SS**  cis-169.3-167.5-14.100000108.7
213D33.5Very low33.3Very low145 Ų145116 Ų11678%0.77575%0.745SS**  cis-166.5-179.1-7.1-140.1-46.2000111.4
214G34.2Very low33.5Very low54 Ų54119.7 Ų119.756%0.55775%0.746SS**  trans115.688.814600000123.1
215T35.7Very low32.9Very low133 Ų133121.4 Ų121.482%0.81674%0.741SS**  trans22.1156.4134.216.50000124.5
216D30Very low32.9Very low134 Ų134123 Ų12372%0.71774%0.738SS**  cis-162.71717.9-172.741.7000114.9
217S32.5Very low33Very low95 Ų95121.2 Ų121.266%0.66474%0.737SS**  trans70.2134.4158.8-79.60000120.2
218A31Very low33Very low95 Ų95123.1 Ų123.179%0.78574%0.737SS**  cis102.6140.226.900000113.7
219D30Very low33Very low149 Ų149120.2 Ų120.280%0.79773%0.728SS**  cis-156.9-128-13.1-177.331.7000112.7
220P49.8Very low33Very low96 Ų96123.4 Ų123.462%0.62373%0.731SS**  -107.9166.3-111.135.1-25.7000119
221S30.2Very low33.5Very low116 Ų116122.5 Ų122.581%0.81174%0.737SS**  173.9151.6105.547.40000116.1
222P41Very low33.4Very low122 Ų122121.8 Ų121.879%0.79273%0.734SS**  trans-128.1174.2-168.943.5-28.9000116.4
223V27.6Very low33.4Very low132 Ų132123 Ų12380%0.874%0.737SS**  trans-140.9122166.7173.70000111.6
224H31Very low33.4Very low166 Ų166120.3 Ų120.377%0.76974%0.735SS**  trans15.3149148.3-60-58.1000121.4
225K35.9Very low33.9Very low158 Ų158123 Ų12369%0.68774%0.743SS**  cis-170.6169.57.7-112.9-92.4-173.8177.20106.3
226D29.3Very low33.9Very low119 Ų119124.8 Ų124.864%0.63674%0.742SS**  cis-155.6177.44.4-156.1-6.7000110.3
227G31.3Very low34.1Very low72 Ų72123.8 Ų123.874%0.74274%0.736SS**  trans152.476.716300000118.3
228Q31.3Very low34.4Very low158 Ų158126.5 Ų126.574%0.73874%0.743SS**  trans-50.8154.5164.8-77.9-173.6-94.700114.6
229N32Very low35.1Very low122 Ų122130.7 Ų130.765%0.65275%0.746SS**  cis-155.5155.911.7-93.1-29.8000112.3
230E32.2Very low35.4Very low166 Ų166128.3 Ų128.378%0.77674%0.741SS**  trans41.9121.9141.3-61.5-52.9133.200124.1
231A39.7Very low35.2Very low100 Ų100130.6 Ų130.683%0.82675%0.753SS**  trans-167.770.4134.500000114.2
232D29.8Very low35.6Very low145 Ų145127.7 Ų127.778%0.77574%0.741SS**  trans58.4143.1144.8-143.6-22.7000123.4
233S33.5Very low36.1Very low105 Ų105128.6 Ų128.673%0.73475%0.745SS**  trans72.5104.3155.5-71.40000121.1
234A32.7Very low37.3Very low89 Ų89125.8 Ų125.874%0.73673%0.73SS**  trans-80.8-168.1163.100000110.9
235P45Very low38.5Very low112 Ų112127.8 Ų127.873%0.72773%0.731SS**  cis-129.7160.934.215.111.9000117
236E35.6Very low39.5Very low169 Ų169127.2 Ų127.279%0.7974%0.735SS**  trans39.3144.6131.1-45.5-61.482.200120.9
237D34.2Very low40.7Very low113 Ų113126.1 Ų126.160%0.60473%0.729SS**  cis-170.8148.6-12.7175.529.7000107.8
238L40.3Very low41.7Very low152 Ų152130.2 Ų130.280%0.79672%0.723SS**  trans148.9132.5130.8-79.1171.8000113
239H44.1Very low42.8Very low183 Ų183127.8 Ų127.885%0.84771%0.711SS**  trans-77.7145.2-178.7-71.6-114.2000112.9
240S37.6Very low43.9Very low99 Ų99128.2 Ų128.269%0.69271%0.712SS**  trans-148.9142.9145.8-1690000111.3
241V46Very low45.1Very low145 Ų145126.3 Ų126.388%0.87971%0.712SS**  trans-90.6112.8-175.2174.90000109.2
242G38.1Very low45.6Very low54 Ų54126.3 Ų126.356%0.55770%0.698SS**  trans-158.5115.3-176.700000115S244G242-S244 WeakPolarHBondContact O-CB 3.29Å; G242-S244 PolarHBondContact O-N 2.97Å; G242-S244 PolarHBondContact O-OG 3.19Å
243T51.4Low46.8Very low142 Ų142122.1 Ų122.187%0.87169%0.689SS**  trans-53.197.117546.60000113L247T243-L247 WeakPolarHBondContact O-CD1 3.42Å
244S53Low47.6Very low72 Ų72123.6 Ų123.650%0.50369%0.689SS.*  trans-146.2-13.3-168.755.10000118.3G242 L246 L247 Y248G242-S244 WeakPolarHBondContact O-CB 3.29Å; G242-S244 PolarHBondContact O-N 2.97Å; G242-S244 PolarHBondContact O-OG 3.19Å; S244-L246 PolarHBondContact O-N 3.09Å; S244-L247 WeakPolarHBondContact O-CB 3.47Å; S244-L247 PolarHBondContact O-N 3.09Å; S244-Y248 PolarHBondContact O-N 3.12Å
245R56Low48.8Very low208 Ų208126 Ų12679%0.78569%0.689SS**THydrogen-bonded Turntrans-63.6-17.9178.8-149.8-166.8-171.3-71.91.2114.1
246L56Low49.6Very low146 Ų146126 Ų12676%0.76469%0.689SS**THydrogen-bonded Turntrans-86.4-23.8169.7-91.8162.1000113.6S244S244-L246 PolarHBondContact O-N 3.09Å
247L55.3Low50.6Low97 Ų97126 Ų12651%0.50869%0.694SS.*THydrogen-bonded Turntrans-78.6-28.8-179.2-63.6178000112.4T243 S244 H249 I250 T251T243-L247 WeakPolarHBondContact O-CD1 3.42Å; S244-L247 WeakPolarHBondContact O-CB 3.47Å; S244-L247 PolarHBondContact O-N 3.09Å; L247-H249 PolarHBondContact O-N 3.13Å; L247-I250 HydrophobicContact CD2-CD1 4.25Å; L247-I250 WeakPolarHBondContact O-CB 3.47Å; L247-I250 PolarHBondContact O-N 3.32Å; L247-T251 PolarHBondContact O-N 3.4Å
248Y51.8Low51.7Low158 Ų158127.8 Ų127.862%0.6270%0.703SS**Hα-helixtrans-56.9-34.2175.4-153.5-76.6000112S244 I250 D252S244-Y248 PolarHBondContact O-N 3.12Å; Y248-I250 PolarHBondContact O-N 3.34Å; Y248-D252 PolarHBondContact O-N 3.16Å
249H54.1Low52.1Low107 Ų107124.6 Ų124.650%0.49569%0.693SS.*Hα-helixtrans-81.615.3176.1-60.1-61.2000114.3L247L247-H249 PolarHBondContact O-N 3.13Å
250I56.6Low52.6Low130 Ų130122.2 Ų122.267%0.66769%0.694SS**Hα-helixtrans-124.7-28.6179.3-60.2177.2000111.3L247 Y248L247-I250 HydrophobicContact CD2-CD1 4.25Å; L247-I250 WeakPolarHBondContact O-CB 3.47Å; L247-I250 PolarHBondContact O-N 3.32Å; Y248-I250 PolarHBondContact O-N 3.34Å
251T55.8Low53.3Low127 Ų127129 Ų12978%0.77971%0.705SS**Hα-helixtrans-96.5-24.2178.452.90000114.4L247L247-T251 PolarHBondContact O-N 3.4Å
252D50.8Low53.5Low99 Ų99126.1 Ų126.153%0.52969%0.689SS.*SBendtrans-88.1151.5170.3-147.7-18.4000110.3Y248 D254Y248-D252 PolarHBondContact O-N 3.16Å; D252-D254 PolarHBondContact O-N 3.45Å
253G54.6Low54.1Low57 Ų57129 Ų12959%0.58870%0.701SS**SBendtrans-68.3-1.5-158.400000117.8N255G253-N255 PolarHBondContact O-N 2.89Å; G253-N255 PolarHBondContact O-ND2 3.03Å
254D51.7Low54.1Low137 Ų137130.1 Ų130.173%0.73370%0.7SS**  trans-75.285.7-175-82.5-25.2000112.4D252 P256D252-D254 PolarHBondContact O-N 3.45Å; D254-P256 WeakPolarHBondContact O-CD 3.2Å
255N57Low54.1Low138 Ų138134.4 Ų134.474%0.73871%0.71SS**  trans-56.5117.1175.3-78.3-108.2000110.6G253 L257G253-N255 PolarHBondContact O-N 2.89Å; G253-N255 PolarHBondContact O-ND2 3.03Å; N255-L257 PolarHBondContact O-N 3.1Å; N255-L257 VanDerWaalsContact O-N 3.09Å
256P61.4Low53.8Low113 Ų113130 Ų13073%0.73471%0.711SS**  trans-65.7115.1-179.125.2-33.3000110.3D254 L258D254-P256 WeakPolarHBondContact O-CD 3.2Å; P256-L258 PolarHBondContact O-N 3.47Å; P256-L258 VanDerWaalsContact O-N 3.14Å
257L57.2Low53.6Low169 Ų169132.4 Ų132.489%0.88572%0.718SS**PPolyproline II helixtrans-55.5117.9-171.3-65.5176.6000112.1N255 S259N255-L257 PolarHBondContact O-N 3.1Å; N255-L257 VanDerWaalsContact O-N 3.09Å; L257-S259 PolarHBondContact O-N 2.98Å
258L56.2Low53Low150 Ų150129.9 Ų129.979%0.78571%0.709SS**PPolyproline II helixtrans-55.7124.8179.6-81.1165.8000111.1P256P256-L258 PolarHBondContact O-N 3.47Å; P256-L258 VanDerWaalsContact O-N 3.14Å
259S48.5Very low53Low86 Ų86131.9 Ų131.960%0.60172%0.724SS**PPolyproline II helixtrans-57130.8-175.3-1600000111.1L257 R261 C262L257-S259 PolarHBondContact O-N 2.98Å; S259-R261 PolarHBondContact O-N 3.39Å; S259-C262 PolarHBondContact O-N 3.45Å
260P56.6Low53.1Low132 Ų132134.7 Ų134.786%0.85773%0.73SS**THydrogen-bonded Turntrans-61.69.3-165.4-28.936.2000119
261R51.3Low52.6Low243 Ų243137.1 Ų137.192%0.91774%0.736SS**THydrogen-bonded Turntrans-99.1-1.2175.3-72.1-177.6168.9156.2-0.7114.2S259S259-R261 PolarHBondContact O-N 3.39Å
262C50.9Low52.5Low83 Ų83137.4 Ų137.456%0.56173%0.733SS**  trans-100.338.5-172.7-65.40000115.3S259 I264S259-C262 PolarHBondContact O-N 3.45Å; C262-I264 VanDerWaalsContact C-N 3.26Å; C262-I264 PolarHBondContact O-N 2.97Å
263S50.8Low52.7Low115 Ų115140.5 Ų140.580%0.80475%0.748SS**THydrogen-bonded Turntrans-75.2-0.5-173.1-1460000116.1
264I50.7Low52.9Low165 Ų165141.7 Ų141.785%0.84674%0.741SS**THydrogen-bonded Turntrans-11414.9-170.1-28.8-178.7000113C262C262-I264 VanDerWaalsContact C-N 3.26Å; C262-I264 PolarHBondContact O-N 2.97Å
265F52.3Low53.4Low163 Ų163141.3 Ų141.372%0.71575%0.746SS**SBendtrans-137.721.2179.6-150.8-104.3000115
266S49.3Very low53.8Low115 Ų115143.3 Ų143.380%0.80475%0.751SS**SBendtrans-91.4-5.9175.8-153.80000114
267Q52.8Low54.1Low196 Ų196141 Ų14192%0.91674%0.738SS**SBendtrans-130.727.6-171.1-152.4174.249.200113.4
268S41.5Very low54.6Low44 Ų44137 Ų13731%0.30873%0.729SS.*  trans-95.590.4176.3175.70000110.8R270S268-R270 VanDerWaalsContact C-N 3.28Å; S268-R270 PolarHBondContact O-N 3.02Å; S268-R270 WeakPolarHBondContact OG-CG 3.29Å
269Q53.4Low55.1Low200 Ų200136 Ų13694%0.93573%0.731SS**  trans-62.687.3166.3-71.6179.8-13.300110
270R54.8Low55.4Low167 Ų167136.1 Ų136.163%0.6373%0.733SS**  trans-137.18.1177.9-71.3-168.6-169.5-140.69.2114.6S268S268-R270 VanDerWaalsContact C-N 3.28Å; S268-R270 PolarHBondContact O-N 3.02Å; S268-R270 WeakPolarHBondContact OG-CG 3.29Å
271F45.8Very low55.4Low181 Ų181134.4 Ų134.479%0.79472%0.721SS**  trans-102.688.8164.7-67.7-74000108.5L273F271-L273 PolarHBondContact O-N 3.07Å
272N55.4Low55.8Low132 Ų132128.2 Ų128.271%0.70671%0.712SS**  trans-68.7119.9154.2-71.3-27.4000106D274N272-D274 VanDerWaalsContact C-N 3.28Å
273L55.1Low55.7Low164 Ų164129.9 Ų129.986%0.85973%0.725SS**  trans-93.711.7176.4-66.4173.2000112.2F271F271-L273 PolarHBondContact O-N 3.07Å
274D58.4Low55.9Low82 Ų82129 Ų12944%0.43972%0.715SS.*  trans-86.3117.9173.5167.528.6000110.2N272 E276 S277N272-D274 VanDerWaalsContact C-N 3.28Å; D274-E276 PolarHBondContact OD1-N 3.01Å; D274-S277 VanDerWaalsContact OD2-CB 3.26Å; D274-S277 WeakPolarHBondContact OD2-CB 3.35Å; D274-S277 PolarHBondContact OD2-N 2.81Å; D274-S277 VanDerWaalsContact OD2-N 3.13Å; D274-S277 PolarHBondContact OD2-OG 3.3Å
275P62Low56.2Low129 Ų129128.5 Ų128.584%0.83871%0.709SS**THydrogen-bonded Turntrans-77.6-11.9179.832.7-35.8000114.6
276E65.4Low56.2Low181 Ų181127.5 Ų127.585%0.84671%0.707SS**THydrogen-bonded Turntrans-96.7-6.8178.3-63.4-152119.400113.8D274 A278D274-E276 PolarHBondContact OD1-N 3.01Å; E276-A278 PolarHBondContact O-N 2.92Å
277S67.8Low56Low64 Ų64132 Ų13245%0.44871%0.712SS.*  trans-63.2106.7173.8-88.90000112.4D274D274-S277 VanDerWaalsContact OD2-CB 3.26Å; D274-S277 WeakPolarHBondContact OD2-CB 3.35Å; D274-S277 PolarHBondContact OD2-N 2.81Å; D274-S277 VanDerWaalsContact OD2-N 3.13Å; D274-S277 PolarHBondContact OD2-OG 3.3Å
278A67.4Low55.8Low85 Ų85131.4 Ų131.470%0.70271%0.712SS**PPolyproline II helixtrans-56.4141178.400000112.8E276 S280E276-A278 PolarHBondContact O-N 2.92Å; A278-S280 PolarHBondContact O-N 3.18Å
279P66.9Low56.6Low128 Ų128137.4 Ų137.483%0.83174%0.737SS**PPolyproline II helixtrans-62.6132.1-176.125.1-34.4000111.7
280S54.2Low56.2Low90 Ų90133 Ų13363%0.62973%0.726SS**PPolyproline II helixtrans-61.1144.2-174.1-46.90000112.7A278A278-S280 PolarHBondContact O-N 3.18Å
281P56.7Low56.3Low95 Ų95136.9 Ų136.962%0.61774%0.74SS**PPolyproline II helixtrans-60.2151.9179.924.4-34.2000112.2S283 T284P281-S283 PolarHBondContact O-N 3.38Å; P281-T284 PolarHBondContact O-N 2.77Å
282P59.2Low55.9Low113 Ų113133.9 Ų133.973%0.73474%0.742SS**G310 helixtrans-64-11.9-164.623.2-34.6000115.5T284 Q285P282-T284 PolarHBondContact O-N 2.74Å; P282-T284 VanDerWaalsContact O-N 3.16Å; P282-Q285 PolarHBondContact O-N 2.77Å
283S50Low55.4Low119 Ų119133.1 Ų133.183%0.83275%0.747SS**G310 helixtrans-63.9-15.4178-168.90000114.7P281P281-S283 PolarHBondContact O-N 3.38Å
284T55.3Low55.1Low97 Ų97130.7 Ų130.760%0.59574%0.744SS**G310 helixtrans-99.2-3.2-176.8-46.70000112.9P281 P282 Q286P281-T284 PolarHBondContact O-N 2.77Å; P282-T284 PolarHBondContact O-N 2.74Å; P282-T284 VanDerWaalsContact O-N 3.16Å; T284-Q286 PolarHBondContact O-N 2.71Å; T284-Q286 VanDerWaalsContact O-N 3.15Å
285Q56Low54.3Low154 Ų154138.5 Ų138.572%0.7277%0.767SS**  trans-75.3104.5174.9-68.9-168.7-2.800111P282 F287P282-Q285 PolarHBondContact O-N 2.77Å; Q285-F287 PolarHBondContact O-N 3.3Å; Q285-F287 VanDerWaalsContact O-N 3.13Å
286Q52.6Low53Low142 Ų142138.2 Ų138.266%0.66477%0.767SS**  trans-67.7108.3169.6-64.9177-78.600109.2T284 M288T284-Q286 PolarHBondContact O-N 2.71Å; T284-Q286 VanDerWaalsContact O-N 3.15Å; Q286-M288 PolarHBondContact O-N 2.78Å; Q286-M288 VanDerWaalsContact O-N 3.13Å
287F46Very low51.8Low210 Ų210135.1 Ų135.192%0.92177%0.765SS**  trans-51.2118.2173.9-93.2-103.2000110.7Q285 M289Q285-F287 PolarHBondContact O-N 3.3Å; Q285-F287 VanDerWaalsContact O-N 3.13Å; F287-M289 PolarHBondContact O-N 2.93Å
288M48.7Very low50.4Low183 Ų183137.9 Ų137.990%0.90178%0.783SS**  trans-73107.8175.9-72.1-168.6-72.400110Q286 P290Q286-M288 PolarHBondContact O-N 2.78Å; Q286-M288 VanDerWaalsContact O-N 3.13Å; M288-P290 WeakPolarHBondContact O-CD 3.38Å
289M56.9Low49.2Very low170 Ų170137.6 Ų137.684%0.83779%0.789SS**  trans-67123.8174.9-165.373.5107.900110.3F287 R291F287-M289 PolarHBondContact O-N 2.93Å; M289-R291 PolarHBondContact O-N 3.47Å
290P44.9Very low47.9Very low108 Ų108137.2 Ų137.270%0.70178%0.78SS**  trans-60.8125.4-178.6-25.835.5000113.1M288 S292M288-P290 WeakPolarHBondContact O-CD 3.38Å; P290-S292 PolarHBondContact O-N 3.14Å
291R57.8Low47.2Very low248 Ų248136.3 Ų136.394%0.93678%0.784SS**  trans-86.771.9176.3-74.2-174.9171.4-176.9-1.3111.8M289 S293M289-R291 PolarHBondContact O-N 3.47Å; R291-S293 PolarHBondContact O-N 2.87Å
292S36.3Very low46.9Very low117 Ų117138 Ų13882%0.81878%0.782SS**  trans-71.9123.4170.2-61.40000110.8P290P290-S292 PolarHBondContact O-N 3.14Å
293S45.9Very low46.4Very low116 Ų116139.3 Ų139.381%0.81178%0.778SS**  trans-141.1111.5179-178.80000111.3R291R291-S293 PolarHBondContact O-N 2.87Å
294S48.7Very low47.2Very low114 Ų114139.2 Ų139.280%0.79778%0.775SS**  trans-146.778.6175.160.40000112
295R42.1Very low48.1Very low245 Ų245138 Ų13893%0.92576%0.762SS**  trans20.8104.2149.6-62.8177.8172.5-170.8-2.9118.1
296C33.3Very low49.8Very low124 Ų124134.3 Ų134.384%0.83875%0.75SS**  -139.5128.8126-1660000108.2
297S41.4Very low51.6Low116 Ų116129.3 Ų129.381%0.81173%0.728SS**  trans-13687.9-168.2171.90000111
298C39Very low53.9Low121 Ų121123.4 Ų123.482%0.81871%0.709SS**  trans-12481.3179.8-62.70000111.5
299G42.3Very low56.1Low80 Ų80118.4 Ų118.483%0.82568%0.683SS**SBendtrans61.671.6146.400000120.8
300D37.8Very low58Low120 Ų120110.3 Ų110.364%0.64264%0.644SS**  -154.5139.6122.7-171.513.7000110K302D300-K302 VanDerWaalsContact C-N 3.27Å; D300-K302 HydrophobicContact CB-CG 4.38Å; D300-K302 PolarHBondContact O-N 2.95Å; D300-K302 IonicContact OD1-NZ 2.95Å; D300-K302 PolarHBondContact OD1-NZ 3.12Å; D300-K302 WeakPolarHBondContact OD2-CE 3.39Å; D300-K302 WeakPolarHBondContact OD2-CG 3.37Å; D300-K302 IonicContact OD2-NZ 2.71Å; D300-K302 PolarHBondContact OD2-NZ 3.22Å
301G41.3Very low60.4Low70 Ų70107.1 Ų107.172%0.72262%0.622SS**  trans-75.673.2178.200000111.8
302K49.3Very low62.3Low130 Ų130102 Ų10257%0.56561%0.606SS**  trans-133.7109.4174.9-49.9-70.5167.4-69.50108.9D300D300-K302 VanDerWaalsContact C-N 3.27Å; D300-K302 HydrophobicContact CB-CG 4.38Å; D300-K302 PolarHBondContact O-N 2.95Å; D300-K302 IonicContact OD1-NZ 2.95Å; D300-K302 PolarHBondContact OD1-NZ 3.12Å; D300-K302 WeakPolarHBondContact OD2-CE 3.39Å; D300-K302 WeakPolarHBondContact OD2-CG 3.37Å; D300-K302 IonicContact OD2-NZ 2.71Å; D300-K302 PolarHBondContact OD2-NZ 3.22Å
303E49.8Very low65.2Low141 Ų141100.4 Ų100.466%0.65959%0.586SS**  trans-50.9141.2162.1-174.2-170.3167.100109.3Q305E303-Q305 PolarHBondContact O-N 3.5Å
304P65.6Low67.7Low117 Ų11795.7 Ų95.776%0.7655%0.551SS**  trans-61.197.2-17723.6-34.6000111.6T306P304-T306 PolarHBondContact O-N 3.41Å
305Q75.1Confident70.1Confident73 Ų7395.1 Ų95.134%0.34154%0.536SS..  trans-59.2109.9-169.6-73.4-172.4-1700112E303 L364E303-Q305 PolarHBondContact O-N 3.5Å; Q305-L364 VanDerWaalsContact O-CD1 3.24Å; Q305-L364 WeakPolarHBondContact O-CD1 3.32Å
306T90.3Very high72.8Confident75 Ų7585.6 Ų85.646%0.4651%0.507SS..  trans-62.2146.8-178.8-23.60000110.6P304 T308 Q309 L310P304-T306 PolarHBondContact O-N 3.41Å; T306-T308 PolarHBondContact O-N 3.28Å; T306-Q309 WeakPolarHBondContact O-CA 3.3Å; T306-Q309 WeakPolarHBondContact O-CB 3.27Å; T306-Q309 PolarHBondContact O-N 3.28Å; T306-L310 PolarHBondContact O-N 2.79Å
307I92.1Very high75.9Confident37 Ų3780 Ų8019%0.1947%0.469CS..Hα-helixtrans-46.9-38.2174.8-73.2173.9000112.2T311 L361 L364 K365 L368I307-T311 VanDerWaalsContact O-CB 3.25Å; I307-T311 WeakPolarHBondContact O-CB 3.3Å; I307-T311 PolarHBondContact O-N 2.89Å; I307-T311 PolarHBondContact O-OG1 3.1Å; I307-L361 HydrophobicContact CB-CD1 4.32Å; I307-L361 HydrophobicContact CG1-CD1 4.39Å; I307-L361 HydrophobicContact CG2-CD1 3.81Å; I307-L364 HydrophobicContact CD1-CB 4.17Å; I307-L364 HydrophobicContact CG1-CB 3.82Å; I307-L364 HydrophobicContact CG1-CD1 4.48Å; I307-K365 HydrophobicContact CD1-CG 3.9Å; I307-L368 HydrophobicContact CD1-CD1 3.44Å; I307-L368 VanDerWaalsContact CD1-CD1 3.44Å; I307-L368 HydrophobicContact CD1-CG 4.18Å
308T93.4Very high78.6Confident86 Ų8679 Ų7953%0.52845%0.45SS..Hα-helixtrans-67.3-47.4176-53.60000112.9T306 L310 T311 K312T306-T308 PolarHBondContact O-N 3.28Å; T308-L310 VanDerWaalsContact C-N 3.34Å; T308-L310 PolarHBondContact O-N 3.37Å; T308-T311 PolarHBondContact O-N 2.94Å; T308-K312 WeakPolarHBondContact O-CG 3.44Å; T308-K312 PolarHBondContact O-N 2.74Å
309Q95.1Very high81.4Confident78 Ų7880.3 Ų80.336%0.36444%0.438SS..Hα-helixtrans-58.7-48.4175.7-62.6179-7.100110.4T306 T311 K312 H313T306-Q309 WeakPolarHBondContact O-CA 3.3Å; T306-Q309 WeakPolarHBondContact O-CB 3.27Å; T306-Q309 PolarHBondContact O-N 3.28Å; Q309-T311 PolarHBondContact O-N 3.17Å; Q309-K312 WeakPolarHBondContact O-CB 3.31Å; Q309-K312 PolarHBondContact O-N 3.36Å; Q309-H313 WeakPolarHBondContact O-CB 3.15Å; Q309-H313 PolarHBondContact O-N 3Å
310L95.7Very high84Confident1 Ų181 Ų811%0.00542%0.418CS..Hα-helixtrans-67.2-37.2-177.1-171.657.3000112.6T306 T308 H313 I314 Q360 L361 L364T306-L310 PolarHBondContact O-N 2.79Å; T308-L310 VanDerWaalsContact C-N 3.34Å; T308-L310 PolarHBondContact O-N 3.37Å; L310-H313 PolarHBondContact O-N 3.34Å; L310-I314 HydrophobicContact CG-CD1 4.24Å; L310-I314 WeakPolarHBondContact O-CB 3.32Å; L310-I314 WeakPolarHBondContact O-CD1 3.41Å; L310-I314 VanDerWaalsContact O-CG1 3.29Å; L310-I314 WeakPolarHBondContact O-CG1 3.33Å; L310-I314 PolarHBondContact O-N 3.3Å; L310-Q360 HydrophobicContact CD2-CB 3.59Å; L310-L361 HydrophobicContact CD2-CB 3.79Å; L310-L361 HydrophobicContact CD2-CD1 4.44Å; L310-L361 VanDerWaalsContact CD2-N 3.34Å; L310-L361 HydrophobicContact CG-CB 4.17Å; L310-L364 HydrophobicContact CD2-CD1 4.01Å
311T96.4Very high86.9Confident41 Ų4176.1 Ų76.125%0.25239%0.392SS..Hα-helixtrans-64.5-44.6172.4-60.10000111.3I307 T308 Q309 H313 I314 Q315I307-T311 VanDerWaalsContact O-CB 3.25Å; I307-T311 WeakPolarHBondContact O-CB 3.3Å; I307-T311 PolarHBondContact O-N 2.89Å; I307-T311 PolarHBondContact O-OG1 3.1Å; T308-T311 PolarHBondContact O-N 2.94Å; Q309-T311 PolarHBondContact O-N 3.17Å; T311-H313 VanDerWaalsContact C-N 3.33Å; T311-H313 PolarHBondContact O-N 3.21Å; T311-I314 PolarHBondContact O-N 2.76Å; T311-Q315 WeakPolarHBondContact O-CG 3.33Å; T311-Q315 PolarHBondContact O-N 3.27Å
312K97.7Very high89.5Confident139 Ų13980.9 Ų80.960%0.60439%0.388SS*.Hα-helixtrans-59.7-42.1173.6-73.2175.8178-177.20111.3T308 Q309 Q315 S316T308-K312 WeakPolarHBondContact O-CG 3.44Å; T308-K312 PolarHBondContact O-N 2.74Å; Q309-K312 WeakPolarHBondContact O-CB 3.31Å; Q309-K312 PolarHBondContact O-N 3.36Å; K312-Q315 PolarHBondContact O-N 3.29Å; K312-S316 WeakPolarHBondContact O-CB 3.45Å; K312-S316 PolarHBondContact O-N 3.15Å
313H97.6Very high91.8Very high85 Ų8581.3 Ų81.339%0.39439%0.39SS..Hα-helixtrans-62.5-49.7177.1-173.380000112.2Q309 L310 T311 Q315 S316 L317Q309-H313 WeakPolarHBondContact O-CB 3.15Å; Q309-H313 PolarHBondContact O-N 3Å; L310-H313 PolarHBondContact O-N 3.34Å; T311-H313 VanDerWaalsContact C-N 3.33Å; T311-H313 PolarHBondContact O-N 3.21Å; H313-Q315 VanDerWaalsContact C-N 3.3Å; H313-Q315 PolarHBondContact O-N 3.21Å; H313-S316 WeakPolarHBondContact O-CA 3.43Å; H313-S316 VanDerWaalsContact O-CB 3.32Å; H313-S316 WeakPolarHBondContact O-CB 3.37Å; H313-S316 PolarHBondContact O-N 3.1Å; H313-L317 WeakPolarHBondContact NE2-CD1 3.29Å; H313-L317 PolarHBondContact O-N 3.36Å
314I98.1Very high94.1Very high16 Ų1676.2 Ų76.28%0.08237%0.366CS..Hα-helixtrans-56.5-41.9174.9-73.6161.5000111.9L310 T311 S316 K318 L354 R358 L361L310-I314 HydrophobicContact CG-CD1 4.24Å; L310-I314 WeakPolarHBondContact O-CB 3.32Å; L310-I314 WeakPolarHBondContact O-CD1 3.41Å; L310-I314 VanDerWaalsContact O-CG1 3.29Å; L310-I314 WeakPolarHBondContact O-CG1 3.33Å; L310-I314 PolarHBondContact O-N 3.3Å; T311-I314 PolarHBondContact O-N 2.76Å; I314-S316 VanDerWaalsContact C-N 3.35Å; I314-K318 HydrophobicContact CG2-CD 4.48Å; I314-K318 WeakPolarHBondContact O-CB 3.16Å; I314-K318 WeakPolarHBondContact O-CG 3.36Å; I314-K318 PolarHBondContact O-N 3.04Å; I314-L354 HydrophobicContact CB-CD1 4.33Å; I314-L354 HydrophobicContact CG1-CD1 4.47Å; I314-L354 HydrophobicContact CG2-CD1 3.76Å; I314-R358 HydrophobicContact CD1-CG 4.38Å; I314-L361 HydrophobicContact CD1-CB 3.89Å; I314-L361 HydrophobicContact CD1-CD2 3.54Å; I314-L361 HydrophobicContact CD1-CG 4.32Å
315Q98.4Very high95.6Very high102 Ų10272.2 Ų72.248%0.47734%0.337SS..Hα-helixtrans-69.8-30175.8-70.3177.24.700112.9T311 K312 H313 R319T311-Q315 WeakPolarHBondContact O-CG 3.33Å; T311-Q315 PolarHBondContact O-N 3.27Å; K312-Q315 PolarHBondContact O-N 3.29Å; H313-Q315 VanDerWaalsContact C-N 3.3Å; H313-Q315 PolarHBondContact O-N 3.21Å; Q315-R319 WeakPolarHBondContact O-CG 3.38Å; Q315-R319 PolarHBondContact O-N 2.84Å; Q315-R319 PolarHBondContact O-NE 2.72Å
316S98.4Very high96.7Very high45 Ų4573.9 Ų73.932%0.31534%0.344SS..Hα-helixtrans-68.5-49.9172.6-169.50000111.1K312 H313 I314 K318 R319 K320K312-S316 WeakPolarHBondContact O-CB 3.45Å; K312-S316 PolarHBondContact O-N 3.15Å; H313-S316 WeakPolarHBondContact O-CA 3.43Å; H313-S316 VanDerWaalsContact O-CB 3.32Å; H313-S316 WeakPolarHBondContact O-CB 3.37Å; H313-S316 PolarHBondContact O-N 3.1Å; I314-S316 VanDerWaalsContact C-N 3.35Å; S316-K318 PolarHBondContact O-N 3.45Å; S316-R319 CarbonylContact O-C 3.59Å; S316-R319 WeakPolarHBondContact O-CA 3.12Å; S316-R319 WeakPolarHBondContact O-CB 3.4Å; S316-R319 PolarHBondContact O-N 2.81Å; S316-K320 PolarHBondContact O-N 3.04Å
317L98.4Very high96.9Very high8 Ų877.2 Ų77.24%0.04235%0.353CS..Hα-helixtrans-60.5-42.6176.8-64.5-178.9000112.4H313 R319 K320 I321 W350 D353 L354H313-L317 WeakPolarHBondContact NE2-CD1 3.29Å; H313-L317 PolarHBondContact O-N 3.36Å; L317-R319 PolarHBondContact O-N 2.61Å; L317-K320 PolarHBondContact O-N 3.3Å; L317-I321 WeakPolarHBondContact O-CG1 3.44Å; L317-I321 PolarHBondContact O-N 2.75Å; L317-W350 HydrophobicContact CD2-CB 4.02Å; L317-W350 HydrophobicContact CD2-CG 4.08Å; L317-D353 HydrophobicContact CD1-CB 3.77Å; L317-L354 HydrophobicContact CB-CB 4.19Å; L317-L354 HydrophobicContact CB-CD1 4.41Å; L317-L354 HydrophobicContact CD1-CB 4.01Å; L317-L354 VanDerWaalsContact CD1-N 3.31Å
318K98Very high97.2Very high94 Ų9476.4 Ų76.441%0.40935%0.348SS..Hα-helixtrans-57-36171.9-78.7179.867.3-1790112.8I314 S316 R322 L354I314-K318 HydrophobicContact CG2-CD 4.48Å; I314-K318 WeakPolarHBondContact O-CB 3.16Å; I314-K318 WeakPolarHBondContact O-CG 3.36Å; I314-K318 PolarHBondContact O-N 3.04Å; S316-K318 PolarHBondContact O-N 3.45Å; K318-R322 WeakPolarHBondContact O-CB 3.2Å; K318-R322 VanDerWaalsContact O-CG 3.31Å; K318-R322 WeakPolarHBondContact O-CG 3.19Å; K318-R322 PolarHBondContact O-N 2.84Å; K318-L354 HydrophobicContact CG-CD1 4Å; K318-L354 HydrophobicContact CG-CD2 4.09Å
319R98.5Very high97.3Very high148 Ų14876.3 Ų76.356%0.55834%0.341SS*.Hα-helixtrans-74.7-41176.1-78.1177.2-72.9165-4.8112Q315 S316 L317 R322 K323Q315-R319 WeakPolarHBondContact O-CG 3.38Å; Q315-R319 PolarHBondContact O-N 2.84Å; Q315-R319 PolarHBondContact O-NE 2.72Å; S316-R319 CarbonylContact O-C 3.59Å; S316-R319 WeakPolarHBondContact O-CA 3.12Å; S316-R319 WeakPolarHBondContact O-CB 3.4Å; S316-R319 PolarHBondContact O-N 2.81Å; L317-R319 PolarHBondContact O-N 2.61Å; R319-R322 PolarHBondContact O-N 3.47Å; R319-K323 WeakPolarHBondContact O-CG 3.45Å; R319-K323 PolarHBondContact O-N 3.36Å
320K97.8Very high97.4Very high96 Ų9678.1 Ų78.142%0.41735%0.35SS..Hα-helixtrans-60.3-47.9175.5-68.8-163175.3-165.60112.1S316 L317 R322 K323 F324 W350S316-K320 PolarHBondContact O-N 3.04Å; L317-K320 PolarHBondContact O-N 3.3Å; K320-R322 PolarHBondContact O-N 3.42Å; K320-K323 PolarHBondContact O-N 3.17Å; K320-F324 PolarHBondContact O-N 2.65Å; K320-W350 HydrophobicContact CB-CD2 3.78Å; K320-W350 HydrophobicContact CB-CE3 3.53Å; K320-W350 HydrophobicContact CB-CG 4.43Å; K320-W350 HydrophobicContact CB-CH2 4.31Å; K320-W350 HydrophobicContact CB-CZ3 3.82Å; K320-W350 HydrophobicContact CD-CD2 3.93Å; K320-W350 HydrophobicContact CD-CE3 4.43Å; K320-W350 HydrophobicContact CD-CG 4.41Å; K320-W350 HydrophobicContact CD-CH2 4.4Å; K320-W350 HydrophobicContact CD-CZ2 3.88Å
321I97.3Very high97.4Very high17 Ų1784.1 Ų84.19%0.08738%0.378CS..Hα-helixtrans-61.5-44.3177.3-63.8161.6000110.8L317 K323 F324 E325 W350 M351 L354L317-I321 WeakPolarHBondContact O-CG1 3.44Å; L317-I321 PolarHBondContact O-N 2.75Å; I321-K323 PolarHBondContact O-N 2.85Å; I321-F324 WeakPolarHBondContact O-CB 3.29Å; I321-F324 PolarHBondContact O-N 2.93Å; I321-F324 VanDerWaalsContact O-N 3.14Å; I321-E325 PolarHBondContact O-N 3.12Å; I321-W350 HydrophobicContact CD1-CB 4.13Å; I321-W350 HydrophobicContact CG1-CB 3.85Å; I321-W350 HydrophobicContact CG1-CE3 4.34Å; I321-M351 HydrophobicContact CD1-CG 3.83Å; I321-M351 HydrophobicContact CG1-CG 4.35Å; I321-L354 HydrophobicContact CD1-CD2 3.63Å
322R97.6Very high97.3Very high169 Ų16986.7 Ų86.764%0.63839%0.386SS*.Hα-helixtrans-61.1-42.3175.4-79.2177.2172.5-167.7-6.2113.2K318 R319 K320 F324 E325 E326K318-R322 WeakPolarHBondContact O-CB 3.2Å; K318-R322 VanDerWaalsContact O-CG 3.31Å; K318-R322 WeakPolarHBondContact O-CG 3.19Å; K318-R322 PolarHBondContact O-N 2.84Å; R319-R322 PolarHBondContact O-N 3.47Å; K320-R322 PolarHBondContact O-N 3.42Å; R322-F324 PolarHBondContact O-N 2.85Å; R322-E325 PolarHBondContact O-N 2.93Å; R322-E325 VanDerWaalsContact O-N 3.15Å; R322-E326 VanDerWaalsContact O-CB 3.3Å; R322-E326 WeakPolarHBondContact O-CB 3.2Å; R322-E326 PolarHBondContact O-N 3.47Å
323K97.4Very high97Very high140 Ų14088.2 Ų88.261%0.60939%0.392SS*.Hα-helixtrans-62.9-29.2174.8-76.5-170.2171.8-161.50112.7R319 K320 I321 K327R319-K323 WeakPolarHBondContact O-CG 3.45Å; R319-K323 PolarHBondContact O-N 3.36Å; K320-K323 PolarHBondContact O-N 3.17Å; I321-K323 PolarHBondContact O-N 2.85Å; K323-K327 WeakPolarHBondContact O-CB 3.21Å; K323-K327 VanDerWaalsContact O-CG 3.3Å; K323-K327 WeakPolarHBondContact O-CG 3.11Å; K323-K327 PolarHBondContact O-N 3.16Å; K323-K327 VanDerWaalsContact O-N 3.1Å
324F97.6Very high96.8Very high34 Ų3490 Ų9015%0.14940%0.396CS..Hα-helixtrans-72.9-46.3169.1173.2-95.5000112K320 I321 R322 E326 K327 F328 P336 K341 N344 V347K320-F324 PolarHBondContact O-N 2.65Å; I321-F324 WeakPolarHBondContact O-CB 3.29Å; I321-F324 PolarHBondContact O-N 2.93Å; I321-F324 VanDerWaalsContact O-N 3.14Å; R322-F324 PolarHBondContact O-N 2.85Å; F324-E326 VanDerWaalsContact C-N 3.27Å; F324-E326 PolarHBondContact O-N 3.02Å; F324-K327 PolarHBondContact O-N 3.47Å; F324-F328 HydrophobicContact CE1-CB 4.44Å; F324-F328 HydrophobicContact CE1-CD2 4.33Å; F324-F328 HydrophobicContact CE2-CD2 4.37Å; F324-F328 HydrophobicContact CZ-CB 4.35Å; F324-F328 AromaticContact CZ-CD2 3.78Å; F324-F328 HydrophobicContact CZ-CD2 3.78Å; F324-F328 HydrophobicContact CZ-CG 4.43Å; F324-F328 VanDerWaalsContact O-CB 3.27Å; F324-F328 WeakPolarHBondContact O-CB 3.17Å; F324-F328 PolarHBondContact O-N 3.25Å; F324-P336 HydrophobicContact CE1-CB 4.31Å; F324-P336 HydrophobicContact CE1-CG 4.3Å; F324-K341 HydrophobicContact CD1-CG 4.33Å; F324-K341 HydrophobicContact CE1-CG 3.93Å; F324-N344 HydrophobicContact CE2-CB 4Å; F324-N344 HydrophobicContact CZ-CB 4.05Å; F324-V347 HydrophobicContact CB-CG2 3.72Å; F324-V347 HydrophobicContact CD1-CB 4.36Å; F324-V347 HydrophobicContact CD1-CG1 3.94Å; F324-V347 HydrophobicContact CD1-CG2 3.58Å; F324-V347 HydrophobicContact CD2-CG2 3.49Å; F324-V347 VanDerWaalsContact CD2-CG2 3.49Å; F324-V347 HydrophobicContact CE1-CG1 4.28Å; F324-V347 HydrophobicContact CE1-CG2 4.03Å; F324-V347 HydrophobicContact CE2-CG2 3.94Å; F324-V347 HydrophobicContact CG-CB 4.47Å; F324-V347 HydrophobicContact CG-CG1 4.43Å; F324-V347 HydrophobicContact CG-CG2 3.28Å; F324-V347 HydrophobicContact CZ-CG2 4.18Å
325E96.9Very high96.7Very high33 Ų3396.6 Ų96.615%0.15442%0.42CS..Hα-helixtrans-53.4-48.3176.3-67-168.7178.300111.1I321 R322 E329 R335 P336 K341I321-E325 PolarHBondContact O-N 3.12Å; R322-E325 PolarHBondContact O-N 2.93Å; R322-E325 VanDerWaalsContact O-N 3.15Å; E325-E329 VanDerWaalsContact O-CB 3.26Å; E325-E329 WeakPolarHBondContact O-CB 3.28Å; E325-E329 PolarHBondContact O-N 2.76Å; E325-R335 IonicContact OE2-CZ 2.77Å; E325-R335 IonicContact OE2-NE 3.61Å; E325-R335 IonicContact OE2-NH2 2.71Å; E325-R335 PolarHBondContact OE2-NH2 3.27Å; E325-P336 HydrophobicContact CB-CG 4.21Å; E325-P336 HydrophobicContact CG-CG 4.19Å; E325-K341 WeakPolarHBondContact OE1-CE 3.44Å; E325-K341 IonicContact OE1-NZ 3.4Å; E325-K341 PolarHBondContact OE1-NZ 3.15Å
326E97.6Very high96.5Very high107 Ų10792 Ų9250%0.540%0.399SS..Hα-helixtrans-61-51.1177.1176.4177.4-150.900113.1R322 F324 F328 E329 Q330R322-E326 VanDerWaalsContact O-CB 3.3Å; R322-E326 WeakPolarHBondContact O-CB 3.2Å; R322-E326 PolarHBondContact O-N 3.47Å; F324-E326 VanDerWaalsContact C-N 3.27Å; F324-E326 PolarHBondContact O-N 3.02Å; E326-F328 PolarHBondContact O-N 3.15Å; E326-E329 PolarHBondContact O-N 3.34Å; E326-Q330 WeakPolarHBondContact O-CB 3.27Å; E326-Q330 VanDerWaalsContact O-CG 3.26Å; E326-Q330 WeakPolarHBondContact O-CG 3.31Å; E326-Q330 PolarHBondContact O-N 2.93Å
327K95.9Very high96.2Very high145 Ų14592.8 Ų92.863%0.6340%0.404SS*.Hα-helixtrans-63.5-42178.6-81.4-173.4169.6-157.90112.9K323 F324 E329 Q330 E331K323-K327 WeakPolarHBondContact O-CB 3.21Å; K323-K327 VanDerWaalsContact O-CG 3.3Å; K323-K327 WeakPolarHBondContact O-CG 3.11Å; K323-K327 PolarHBondContact O-N 3.16Å; K323-K327 VanDerWaalsContact O-N 3.1Å; F324-K327 PolarHBondContact O-N 3.47Å; K327-E329 VanDerWaalsContact C-N 3.35Å; K327-Q330 PolarHBondContact O-N 2.8Å; K327-E331 WeakPolarHBondContact O-CB 3.31Å; K327-E331 PolarHBondContact O-N 2.88Å
328F97.3Very high96Very high21 Ų2198.7 Ų98.79%0.09243%0.432CS..Hα-helixtrans-64.4-42.4177.9-175.8-73.5000110.6F324 E326 E331 K332 Y334 P336 D340F324-F328 HydrophobicContact CE1-CB 4.44Å; F324-F328 HydrophobicContact CE1-CD2 4.33Å; F324-F328 HydrophobicContact CE2-CD2 4.37Å; F324-F328 HydrophobicContact CZ-CB 4.35Å; F324-F328 AromaticContact CZ-CD2 3.78Å; F324-F328 HydrophobicContact CZ-CD2 3.78Å; F324-F328 HydrophobicContact CZ-CG 4.43Å; F324-F328 VanDerWaalsContact O-CB 3.27Å; F324-F328 WeakPolarHBondContact O-CB 3.17Å; F324-F328 PolarHBondContact O-N 3.25Å; E326-F328 PolarHBondContact O-N 3.15Å; F328-E331 PolarHBondContact O-N 3.4Å; F328-K332 HydrophobicContact CD1-CB 4.04Å; F328-K332 HydrophobicContact CD1-CG 3.88Å; F328-K332 HydrophobicContact CD2-CG 4.28Å; F328-K332 HydrophobicContact CE1-CB 3.76Å; F328-K332 HydrophobicContact CE1-CG 3.62Å; F328-K332 HydrophobicContact CE2-CG 4.04Å; F328-K332 HydrophobicContact CG-CG 4.21Å; F328-K332 HydrophobicContact CZ-CB 4.29Å; F328-K332 HydrophobicContact CZ-CG 3.72Å; F328-K332 WeakPolarHBondContact O-CB 3.34Å; F328-K332 PolarHBondContact O-N 3.24Å; F328-Y334 AromaticContact CE1-CD2 3.99Å; F328-Y334 HydrophobicContact CE1-CD2 3.99Å; F328-Y334 AromaticContact CE1-CE2 3.48Å; F328-Y334 HydrophobicContact CE1-CE2 3.48Å; F328-Y334 VanDerWaalsContact CE1-CE2 3.48Å; F328-Y334 AromaticContact CE1-CZ 3.81Å; F328-Y334 AromaticContact CZ-CE2 3.88Å; F328-Y334 HydrophobicContact CZ-CE2 3.88Å; F328-Y334 AromaticContact CZ-CZ 3.97Å; F328-P336 HydrophobicContact CB-CB 4.31Å; F328-P336 HydrophobicContact CB-CG 3.89Å; F328-P336 HydrophobicContact CD1-CB 3.51Å; F328-P336 HydrophobicContact CD1-CG 3.75Å; F328-P336 HydrophobicContact CD2-CB 4.16Å; F328-P336 HydrophobicContact CE1-CB 3.72Å; F328-P336 HydrophobicContact CE1-CG 4.42Å; F328-P336 HydrophobicContact CE2-CB 4.34Å; F328-P336 HydrophobicContact CG-CB 3.74Å; F328-P336 HydrophobicContact CG-CG 3.86Å; F328-P336 HydrophobicContact CZ-CB 4.12Å; F328-D340 HydrophobicContact CE1-CB 4.44Å; F328-D340 HydrophobicContact CE2-CB 3.7Å; F328-D340 HydrophobicContact CZ-CB 3.65Å; F328-D340 VanDerWaalsContact CZ-CG 3.45Å
329E96.6Very high95.9Very high84 Ų8495.8 Ų95.839%0.39343%0.429SS..Hα-helixtrans-67.6-35177.9-170.1158.5-164.200111.9E325 E326 K327 K333 Y334 R335E325-E329 VanDerWaalsContact O-CB 3.26Å; E325-E329 WeakPolarHBondContact O-CB 3.28Å; E325-E329 PolarHBondContact O-N 2.76Å; E326-E329 PolarHBondContact O-N 3.34Å; K327-E329 VanDerWaalsContact C-N 3.35Å; E329-K333 VanDerWaalsContact O-CA 3.24Å; E329-K333 WeakPolarHBondContact O-CA 3.32Å; E329-K333 PolarHBondContact O-N 2.87Å; E329-Y334 WeakPolarHBondContact CA-O 3.4Å; E329-R335 WeakPolarHBondContact OE2-CG 3.05Å
330Q96.9Very high95.7Very high115 Ų11590.6 Ų90.654%0.53741%0.412SS..Hα-helixtrans-63.1-39.9169.5-73.3169.310.100112.9E326 K327 K333E326-Q330 WeakPolarHBondContact O-CB 3.27Å; E326-Q330 VanDerWaalsContact O-CG 3.26Å; E326-Q330 WeakPolarHBondContact O-CG 3.31Å; E326-Q330 PolarHBondContact O-N 2.93Å; K327-Q330 PolarHBondContact O-N 2.8Å; Q330-K333 WeakPolarHBondContact O-CE 3.5Å; Q330-K333 PolarHBondContact O-NZ 2.62Å
331E94.9Very high95.5Very high128 Ų12887.4 Ų87.460%0.59840%0.398SS*.Hα-helixtrans-78.7-54.4-178.4-166.9-160.5145.400112.3K327 F328K327-E331 WeakPolarHBondContact O-CB 3.31Å; K327-E331 PolarHBondContact O-N 2.88Å; F328-E331 PolarHBondContact O-N 3.4Å
332K93.5Very high95.3Very high95 Ų9589 Ų8941%0.41341%0.409SS..Hα-helixtrans-90.4-9.8-170.8-54.4-51.8-167.8-169.20114.3F328 Y334F328-K332 HydrophobicContact CD1-CB 4.04Å; F328-K332 HydrophobicContact CD1-CG 3.88Å; F328-K332 HydrophobicContact CD2-CG 4.28Å; F328-K332 HydrophobicContact CE1-CB 3.76Å; F328-K332 HydrophobicContact CE1-CG 3.62Å; F328-K332 HydrophobicContact CE2-CG 4.04Å; F328-K332 HydrophobicContact CG-CG 4.21Å; F328-K332 HydrophobicContact CZ-CB 4.29Å; F328-K332 HydrophobicContact CZ-CG 3.72Å; F328-K332 WeakPolarHBondContact O-CB 3.34Å; F328-K332 PolarHBondContact O-N 3.24Å; K332-Y334 HydrophobicContact CB-CD1 3.95Å; K332-Y334 HydrophobicContact CB-CE1 3.63Å; K332-Y334 WeakPolarHBondContact O-CD1 3.27Å; K332-Y334 PolarHBondContact O-N 2.88Å
333K91.9Very high95.2Very high171 Ų17185.8 Ų85.874%0.74341%0.412SS*.SBendtrans61.916.8-177.5-47.6-53.5-176.4-169.60115.4E329 Q330E329-K333 VanDerWaalsContact O-CA 3.24Å; E329-K333 WeakPolarHBondContact O-CA 3.32Å; E329-K333 PolarHBondContact O-N 2.87Å; Q330-K333 WeakPolarHBondContact O-CE 3.5Å; Q330-K333 PolarHBondContact O-NZ 2.62Å
334Y94.8Very high95.1Very high121 Ų12181.4 Ų81.448%0.47540%0.395SS..SBendtrans-139.4150.8165.963.5-91000110.2F328 E329 K332F328-Y334 AromaticContact CE1-CD2 3.99Å; F328-Y334 HydrophobicContact CE1-CD2 3.99Å; F328-Y334 AromaticContact CE1-CE2 3.48Å; F328-Y334 HydrophobicContact CE1-CE2 3.48Å; F328-Y334 VanDerWaalsContact CE1-CE2 3.48Å; F328-Y334 AromaticContact CE1-CZ 3.81Å; F328-Y334 AromaticContact CZ-CE2 3.88Å; F328-Y334 HydrophobicContact CZ-CE2 3.88Å; F328-Y334 AromaticContact CZ-CZ 3.97Å; E329-Y334 WeakPolarHBondContact CA-O 3.4Å; K332-Y334 HydrophobicContact CB-CD1 3.95Å; K332-Y334 HydrophobicContact CB-CE1 3.63Å; K332-Y334 WeakPolarHBondContact O-CD1 3.27Å; K332-Y334 PolarHBondContact O-N 2.88Å
335R94.2Very high95Very high156 Ų15684.5 Ų84.559%0.58942%0.419SS*.  trans-66.6130.3177.8-168.3171.8-175.2177.53.7110.8E325 E329 S337E325-R335 IonicContact OE2-CZ 2.77Å; E325-R335 IonicContact OE2-NE 3.61Å; E325-R335 IonicContact OE2-NH2 2.71Å; E325-R335 PolarHBondContact OE2-NH2 3.27Å; E329-R335 WeakPolarHBondContact OE2-CG 3.05Å; R335-S337 PolarHBondContact O-N 3.37Å
336P94.1Very high94.9Very high5 Ų588.4 Ų88.43%0.03244%0.437CS..  trans-61.9136-176.819.2-27.6000112.2F324 E325 F328 D340 K341F324-P336 HydrophobicContact CE1-CB 4.31Å; F324-P336 HydrophobicContact CE1-CG 4.3Å; E325-P336 HydrophobicContact CB-CG 4.21Å; E325-P336 HydrophobicContact CG-CG 4.19Å; F328-P336 HydrophobicContact CB-CB 4.31Å; F328-P336 HydrophobicContact CB-CG 3.89Å; F328-P336 HydrophobicContact CD1-CB 3.51Å; F328-P336 HydrophobicContact CD1-CG 3.75Å; F328-P336 HydrophobicContact CD2-CB 4.16Å; F328-P336 HydrophobicContact CE1-CB 3.72Å; F328-P336 HydrophobicContact CE1-CG 4.42Å; F328-P336 HydrophobicContact CE2-CB 4.34Å; F328-P336 HydrophobicContact CG-CB 3.74Å; F328-P336 HydrophobicContact CG-CG 3.86Å; F328-P336 HydrophobicContact CZ-CB 4.12Å; P336-D340 HydrophobicContact CB-CB 3.67Å; P336-K341 HydrophobicContact CB-CG 4.27Å; P336-K341 WeakPolarHBondContact O-CE 3.36Å; P336-K341 PolarHBondContact O-NZ 2.88Å; P336-K341 VanDerWaalsContact O-NZ 3.12Å
337S93.7Very high94.9Very high61 Ų6183.3 Ų83.343%0.42741%0.413SS..  trans-70-173.317473.50000111.8R335 G339 D340 K341R335-S337 PolarHBondContact O-N 3.37Å; S337-G339 PolarHBondContact OG-N 3.31Å; S337-D340 WeakPolarHBondContact CA-OD2 3.38Å; S337-D340 WeakPolarHBondContact CB-OD2 3.14Å; S337-D340 PolarHBondContact N-OD2 3.01Å; S337-D340 VanDerWaalsContact OG-CG 3.31Å; S337-D340 PolarHBondContact OG-N 2.87Å; S337-D340 PolarHBondContact OG-OD2 2.65Å; S337-K341 WeakPolarHBondContact O-CD 3.27Å; S337-K341 VanDerWaalsContact O-CE 3.28Å; S337-K341 WeakPolarHBondContact O-CE 3.34Å; S337-K341 WeakPolarHBondContact O-CG 3.3Å
338H94.4Very high95Very high132 Ų13279.9 Ų79.961%0.61140%0.401SS*.Hα-helixtrans-66.7-42.4168.7-171.717.1000111.5D340 K341 T342H338-D340 PolarHBondContact O-N 2.99Å; H338-K341 PolarHBondContact O-N 3.44Å; H338-T342 VanDerWaalsContact CE1-CG2 3.45Å; H338-T342 WeakPolarHBondContact CE1-CG2 3.1Å; H338-T342 PolarHBondContact O-N 2.84Å; H338-T342 VanDerWaalsContact O-N 3.12Å; H338-T342 PolarHBondContact O-OG1 2.81Å
339G95Very high95Very high34 Ų3485.2 Ų85.235%0.35142%0.424SS..Hα-helixtrans-57.2-50.9-179.700000111.8S337 K341 T342 S343S337-G339 PolarHBondContact OG-N 3.31Å; G339-K341 PolarHBondContact O-N 2.91Å; G339-T342 WeakPolarHBondContact CA-OG1 3.38Å; G339-T342 CarbonylContact O-C 3.56Å; G339-T342 WeakPolarHBondContact O-CA 3.3Å; G339-T342 PolarHBondContact O-N 2.87Å; G339-T342 PolarHBondContact O-OG1 3.23Å; G339-S343 PolarHBondContact O-N 2.71Å; G339-S343 PolarHBondContact O-OG 3.08Å; G339-S343 VanDerWaalsContact O-OG 3.04Å
340D93.5Very high95.1Very high38 Ų3883.1 Ų83.120%0.20341%0.413CS..Hα-helixtrans-56.8-36.1-180-56.8-54.3000113.2F328 P336 S337 H338F328-D340 HydrophobicContact CE1-CB 4.44Å; F328-D340 HydrophobicContact CE2-CB 3.7Å; F328-D340 HydrophobicContact CZ-CB 3.65Å; F328-D340 VanDerWaalsContact CZ-CG 3.45Å; P336-D340 HydrophobicContact CB-CB 3.67Å; S337-D340 WeakPolarHBondContact CA-OD2 3.38Å; S337-D340 WeakPolarHBondContact CB-OD2 3.14Å; S337-D340 PolarHBondContact N-OD2 3.01Å; S337-D340 VanDerWaalsContact OG-CG 3.31Å; S337-D340 PolarHBondContact OG-N 2.87Å; S337-D340 PolarHBondContact OG-OD2 2.65Å; H338-D340 PolarHBondContact O-N 2.99Å
341K94.3Very high95.2Very high30 Ų3080.5 Ų80.513%0.1340%0.401CS..Hα-helixtrans-75.6-27177.2-66168.5-159.1179.40112.7F324 E325 P336 S337 H338 G339 V347 L348 M351F324-K341 HydrophobicContact CD1-CG 4.33Å; F324-K341 HydrophobicContact CE1-CG 3.93Å; E325-K341 WeakPolarHBondContact OE1-CE 3.44Å; E325-K341 IonicContact OE1-NZ 3.4Å; E325-K341 PolarHBondContact OE1-NZ 3.15Å; P336-K341 HydrophobicContact CB-CG 4.27Å; P336-K341 WeakPolarHBondContact O-CE 3.36Å; P336-K341 PolarHBondContact O-NZ 2.88Å; P336-K341 VanDerWaalsContact O-NZ 3.12Å; S337-K341 WeakPolarHBondContact O-CD 3.27Å; S337-K341 VanDerWaalsContact O-CE 3.28Å; S337-K341 WeakPolarHBondContact O-CE 3.34Å; S337-K341 WeakPolarHBondContact O-CG 3.3Å; H338-K341 PolarHBondContact O-N 3.44Å; G339-K341 PolarHBondContact O-N 2.91Å; K341-V347 HydrophobicContact CB-CG1 3.86Å; K341-V347 HydrophobicContact CG-CG1 4.24Å; K341-V347 WeakPolarHBondContact O-CB 3.37Å; K341-V347 WeakPolarHBondContact O-CG1 3.43Å; K341-L348 PolarHBondContact O-N 2.97Å; K341-M351 HydrophobicContact CB-SD 3.93Å
342T94Very high95.3Very high51 Ų5178.4 Ų78.431%0.31340%0.395SS..Hα-helixtrans-85.2-28.6174.951.90000112.9H338 G339 N344 L348H338-T342 VanDerWaalsContact CE1-CG2 3.45Å; H338-T342 WeakPolarHBondContact CE1-CG2 3.1Å; H338-T342 PolarHBondContact O-N 2.84Å; H338-T342 VanDerWaalsContact O-N 3.12Å; H338-T342 PolarHBondContact O-OG1 2.81Å; G339-T342 WeakPolarHBondContact CA-OG1 3.38Å; G339-T342 CarbonylContact O-C 3.56Å; G339-T342 WeakPolarHBondContact O-CA 3.3Å; G339-T342 PolarHBondContact O-N 2.87Å; G339-T342 PolarHBondContact O-OG1 3.23Å; T342-N344 VanDerWaalsContact C-N 3.25Å; T342-N344 PolarHBondContact O-N 3.32Å; T342-L348 HydrophobicContact CG2-CD1 4.18Å
343S94.1Very high95.5Very high100 Ų10075.6 Ų75.670%0.69938%0.384SS*.Hα-helixtrans-66.5-25.5174.3-59.40000112.8G339G339-S343 PolarHBondContact O-N 2.71Å; G339-S343 PolarHBondContact O-OG 3.08Å; G339-S343 VanDerWaalsContact O-OG 3.04Å
344N94.8Very high95.8Very high48 Ų4868.1 Ų68.126%0.25735%0.352SS..SBendtrans-88.4116.4169.3-175.9-66.8000110.6F324 T342 E346 V347 L348F324-N344 HydrophobicContact CE2-CB 4Å; F324-N344 HydrophobicContact CZ-CB 4.05Å; T342-N344 VanDerWaalsContact C-N 3.25Å; T342-N344 PolarHBondContact O-N 3.32Å; N344-E346 VanDerWaalsContact C-N 3.34Å; N344-E346 PolarHBondContact O-N 3.29Å; N344-E346 WeakPolarHBondContact OD1-CB 3.42Å; N344-E346 PolarHBondContact OD1-N 3.21Å; N344-V347 HydrophobicContact CB-CB 4.07Å; N344-V347 HydrophobicContact CB-CG2 3.93Å; N344-V347 PolarHBondContact O-N 2.83Å; N344-V347 WeakPolarHBondContact OD1-CG2 3.46Å; N344-V347 PolarHBondContact OD1-N 2.9Å; N344-L348 WeakPolarHBondContact O-CB 3.35Å; N344-L348 PolarHBondContact O-N 3.12Å
345P95.7Very high96Very high99 Ų9964.7 Ų64.764%0.64335%0.348SS*.Hα-helixtrans-69.1-27.9-174.627.2-34.9000113.5K349P345-K349 VanDerWaalsContact O-CB 3.28Å; P345-K349 WeakPolarHBondContact O-CB 3.44Å; P345-K349 PolarHBondContact O-N 2.97Å
346E96.6Very high96.1Very high116 Ų11662 Ų6254%0.54234%0.341SS..Hα-helixtrans-70-42.9175.1-56.6-156.5131.500111.5N344 K349 W350N344-E346 VanDerWaalsContact C-N 3.34Å; N344-E346 PolarHBondContact O-N 3.29Å; N344-E346 WeakPolarHBondContact OD1-CB 3.42Å; N344-E346 PolarHBondContact OD1-N 3.21Å; E346-K349 WeakPolarHBondContact O-CB 3.49Å; E346-K349 PolarHBondContact O-N 3.31Å; E346-W350 HydrophobicContact CB-CH2 4Å; E346-W350 HydrophobicContact CB-CZ2 3.66Å; E346-W350 HydrophobicContact CG-CZ2 4.48Å; E346-W350 VanDerWaalsContact O-CD1 3.31Å; E346-W350 VanDerWaalsContact O-CD2 3.27Å; E346-W350 PolarHBondContact O-N 3.27Å; E346-W350 WeakPolarHBondContact OE2-CZ2 3.34Å
347V97.6Very high96.3Very high0 Ų061.9 Ų61.90%034%0.341CS..Hα-helixtrans-67.8-43.2179.3178.80000110.4F324 K341 N344 K349 W350 M351F324-V347 HydrophobicContact CB-CG2 3.72Å; F324-V347 HydrophobicContact CD1-CB 4.36Å; F324-V347 HydrophobicContact CD1-CG1 3.94Å; F324-V347 HydrophobicContact CD1-CG2 3.58Å; F324-V347 HydrophobicContact CD2-CG2 3.49Å; F324-V347 VanDerWaalsContact CD2-CG2 3.49Å; F324-V347 HydrophobicContact CE1-CG1 4.28Å; F324-V347 HydrophobicContact CE1-CG2 4.03Å; F324-V347 HydrophobicContact CE2-CG2 3.94Å; F324-V347 HydrophobicContact CG-CB 4.47Å; F324-V347 HydrophobicContact CG-CG1 4.43Å; F324-V347 HydrophobicContact CG-CG2 3.28Å; F324-V347 HydrophobicContact CZ-CG2 4.18Å; K341-V347 HydrophobicContact CB-CG1 3.86Å; K341-V347 HydrophobicContact CG-CG1 4.24Å; K341-V347 WeakPolarHBondContact O-CB 3.37Å; K341-V347 WeakPolarHBondContact O-CG1 3.43Å; N344-V347 HydrophobicContact CB-CB 4.07Å; N344-V347 HydrophobicContact CB-CG2 3.93Å; N344-V347 PolarHBondContact O-N 2.83Å; N344-V347 WeakPolarHBondContact OD1-CG2 3.46Å; N344-V347 PolarHBondContact OD1-N 2.9Å; V347-K349 VanDerWaalsContact C-N 3.32Å; V347-K349 PolarHBondContact O-N 3.38Å; V347-W350 HydrophobicContact CG2-CE3 4.11Å; V347-W350 HydrophobicContact CG2-CZ3 3.91Å; V347-W350 PolarHBondContact O-N 2.83Å; V347-M351 HydrophobicContact CG1-SD 4.28Å; V347-M351 WeakPolarHBondContact O-CB 3.43Å; V347-M351 WeakPolarHBondContact O-CG 3.32Å; V347-M351 PolarHBondContact O-N 2.94Å
348L97.2Very high96.4Very high73 Ų7365 Ų6538%0.38234%0.343SS..Hα-helixtrans-55.3-47.1170.817658000111.2K341 T342 N344 M351 N352K341-L348 PolarHBondContact O-N 2.97Å; T342-L348 HydrophobicContact CG2-CD1 4.18Å; N344-L348 WeakPolarHBondContact O-CB 3.35Å; N344-L348 PolarHBondContact O-N 3.12Å; L348-M351 PolarHBondContact O-N 3.15Å; L348-N352 WeakPolarHBondContact O-CB 3.46Å; L348-N352 PolarHBondContact O-N 3.35Å
349K97.9Very high96.6Very high132 Ų13266 Ų6657%0.57435%0.346SS*.Hα-helixtrans-59.9-48.9175179.1175179.9175.70111.7P345 E346 V347 M351 N352 D353P345-K349 VanDerWaalsContact O-CB 3.28Å; P345-K349 WeakPolarHBondContact O-CB 3.44Å; P345-K349 PolarHBondContact O-N 2.97Å; E346-K349 WeakPolarHBondContact O-CB 3.49Å; E346-K349 PolarHBondContact O-N 3.31Å; V347-K349 VanDerWaalsContact C-N 3.32Å; V347-K349 PolarHBondContact O-N 3.38Å; K349-M351 VanDerWaalsContact C-N 3.31Å; K349-M351 PolarHBondContact O-N 3.03Å; K349-N352 PolarHBondContact O-N 2.95Å; K349-N352 VanDerWaalsContact O-N 3.14Å; K349-D353 WeakPolarHBondContact CG-OD2 3.29Å; K349-D353 WeakPolarHBondContact O-CB 3.45Å; K349-D353 PolarHBondContact O-N 3.46Å
350W98.3Very high96.7Very high40 Ų4068.4 Ų68.415%0.15235%0.348CS..Hα-helixtrans-63.3-35178.2-57.2-21.9000112.6L317 K320 I321 E346 V347 L354L317-W350 HydrophobicContact CD2-CB 4.02Å; L317-W350 HydrophobicContact CD2-CG 4.08Å; K320-W350 HydrophobicContact CB-CD2 3.78Å; K320-W350 HydrophobicContact CB-CE3 3.53Å; K320-W350 HydrophobicContact CB-CG 4.43Å; K320-W350 HydrophobicContact CB-CH2 4.31Å; K320-W350 HydrophobicContact CB-CZ3 3.82Å; K320-W350 HydrophobicContact CD-CD2 3.93Å; K320-W350 HydrophobicContact CD-CE3 4.43Å; K320-W350 HydrophobicContact CD-CG 4.41Å; K320-W350 HydrophobicContact CD-CH2 4.4Å; K320-W350 HydrophobicContact CD-CZ2 3.88Å; I321-W350 HydrophobicContact CD1-CB 4.13Å; I321-W350 HydrophobicContact CG1-CB 3.85Å; I321-W350 HydrophobicContact CG1-CE3 4.34Å; E346-W350 HydrophobicContact CB-CH2 4Å; E346-W350 HydrophobicContact CB-CZ2 3.66Å; E346-W350 HydrophobicContact CG-CZ2 4.48Å; E346-W350 VanDerWaalsContact O-CD1 3.31Å; E346-W350 VanDerWaalsContact O-CD2 3.27Å; E346-W350 PolarHBondContact O-N 3.27Å; E346-W350 WeakPolarHBondContact OE2-CZ2 3.34Å; V347-W350 HydrophobicContact CG2-CE3 4.11Å; V347-W350 HydrophobicContact CG2-CZ3 3.91Å; V347-W350 PolarHBondContact O-N 2.83Å; W350-L354 WeakPolarHBondContact O-CB 3.45Å; W350-L354 PolarHBondContact O-N 2.95Å
351M97.7Very high96.8Very high60 Ų6068 Ų6830%0.29635%0.345SS..Hα-helixtrans-65.9-41.6173-76.3178.759.300111.5I321 K341 V347 L348 K349 A355I321-M351 HydrophobicContact CD1-CG 3.83Å; I321-M351 HydrophobicContact CG1-CG 4.35Å; K341-M351 HydrophobicContact CB-SD 3.93Å; V347-M351 HydrophobicContact CG1-SD 4.28Å; V347-M351 WeakPolarHBondContact O-CB 3.43Å; V347-M351 WeakPolarHBondContact O-CG 3.32Å; V347-M351 PolarHBondContact O-N 2.94Å; L348-M351 PolarHBondContact O-N 3.15Å; K349-M351 VanDerWaalsContact C-N 3.31Å; K349-M351 PolarHBondContact O-N 3.03Å; M351-A355 PolarHBondContact O-N 3.41Å
352N98.1Very high96.9Very high85 Ų8573.8 Ų73.846%0.45537%0.371SS..Hα-helixtrans-66.7-48.8178-137.1-71.2000111.5L348 K349 L354 A355 K356L348-N352 WeakPolarHBondContact O-CB 3.46Å; L348-N352 PolarHBondContact O-N 3.35Å; K349-N352 PolarHBondContact O-N 2.95Å; K349-N352 VanDerWaalsContact O-N 3.14Å; N352-L354 VanDerWaalsContact C-N 3.29Å; N352-L354 PolarHBondContact O-N 2.95Å; N352-A355 WeakPolarHBondContact O-CA 3.26Å; N352-A355 WeakPolarHBondContact O-CB 3.46Å; N352-A355 PolarHBondContact O-N 2.97Å; N352-K356 WeakPolarHBondContact O-CG 3.39Å; N352-K356 PolarHBondContact O-N 2.87Å; N352-K356 WeakPolarHBondContact OD1-CE 3.36Å
353D97.8Very high96.9Very high36 Ų3676 Ų7619%0.19338%0.377CS..Hα-helixtrans-67.3-30.6178.8-63.9-21000111.7L317 K349 A355 K356 G357L317-D353 HydrophobicContact CD1-CB 3.77Å; K349-D353 WeakPolarHBondContact CG-OD2 3.29Å; K349-D353 WeakPolarHBondContact O-CB 3.45Å; K349-D353 PolarHBondContact O-N 3.46Å; D353-A355 VanDerWaalsContact C-N 3.35Å; D353-K356 PolarHBondContact O-N 3.1Å; D353-K356 IonicContact OD1-NZ 2.94Å; D353-K356 PolarHBondContact OD1-NZ 3.48Å; D353-G357 PolarHBondContact O-N 3.26Å
354L97.9Very high96.9Very high14 Ų1474 Ų747%0.07336%0.358CS..Hα-helixtrans-66.4-35.9170.4176.260.4000111.7I314 L317 K318 I321 W350 N352 R358I314-L354 HydrophobicContact CB-CD1 4.33Å; I314-L354 HydrophobicContact CG1-CD1 4.47Å; I314-L354 HydrophobicContact CG2-CD1 3.76Å; L317-L354 HydrophobicContact CB-CB 4.19Å; L317-L354 HydrophobicContact CB-CD1 4.41Å; L317-L354 HydrophobicContact CD1-CB 4.01Å; L317-L354 VanDerWaalsContact CD1-N 3.31Å; K318-L354 HydrophobicContact CG-CD1 4Å; K318-L354 HydrophobicContact CG-CD2 4.09Å; I321-L354 HydrophobicContact CD1-CD2 3.63Å; W350-L354 WeakPolarHBondContact O-CB 3.45Å; W350-L354 PolarHBondContact O-N 2.95Å; N352-L354 VanDerWaalsContact C-N 3.29Å; N352-L354 PolarHBondContact O-N 2.95Å; L354-R358 HydrophobicContact CD1-CG 4.36Å; L354-R358 VanDerWaalsContact O-CB 3.32Å; L354-R358 WeakPolarHBondContact O-CB 3.24Å; L354-R358 WeakPolarHBondContact O-CD 3.5Å; L354-R358 WeakPolarHBondContact O-CG 3.33Å; L354-R358 PolarHBondContact O-N 3Å; L354-R358 VanDerWaalsContact O-N 3.17Å
355A98.1Very high96.8Very high48 Ų4877.2 Ų77.240%0.39737%0.37SS..Hα-helixtrans-71.2-42.4173.900000112M351 N352 D353 K359M351-A355 PolarHBondContact O-N 3.41Å; N352-A355 WeakPolarHBondContact O-CA 3.26Å; N352-A355 WeakPolarHBondContact O-CB 3.46Å; N352-A355 PolarHBondContact O-N 2.97Å; D353-A355 VanDerWaalsContact C-N 3.35Å; A355-K359 WeakPolarHBondContact O-CG 3.5Å; A355-K359 PolarHBondContact O-N 2.95Å
356K97.6Very high96.6Very high101 Ų10178 Ų7844%0.43937%0.368SS..Hα-helixtrans-60.6-53.9174.6-65.9170.9-162.9160.90111.3N352 D353 R358 K359 Q360N352-K356 WeakPolarHBondContact O-CG 3.39Å; N352-K356 PolarHBondContact O-N 2.87Å; N352-K356 WeakPolarHBondContact OD1-CE 3.36Å; D353-K356 PolarHBondContact O-N 3.1Å; D353-K356 IonicContact OD1-NZ 2.94Å; D353-K356 PolarHBondContact OD1-NZ 3.48Å; K356-R358 VanDerWaalsContact C-N 3.29Å; K356-R358 PolarHBondContact O-N 3.1Å; K356-K359 WeakPolarHBondContact O-CA 3.42Å; K356-K359 WeakPolarHBondContact O-CB 3.2Å; K356-K359 PolarHBondContact O-N 2.75Å; K356-Q360 PolarHBondContact O-N 2.83Å; K356-Q360 PolarHBondContact O-OE1 3.27Å
357G97.1Very high96.2Very high2 Ų277.4 Ų77.42%0.02136%0.364CS..Hα-helixtrans-60.5-37.5-179.400000112.8D353 K359 Q360 L361D353-G357 PolarHBondContact O-N 3.26Å; G357-K359 VanDerWaalsContact C-N 3.29Å; G357-K359 PolarHBondContact O-N 3.03Å; G357-Q360 PolarHBondContact O-N 3.02Å; G357-L361 VanDerWaalsContact O-CB 3.26Å; G357-L361 WeakPolarHBondContact O-CB 3.21Å; G357-L361 PolarHBondContact O-N 3.18Å
358R97.4Very high95.4Very high126 Ų12681.8 Ų81.848%0.47539%0.387SS..Hα-helixtrans-64.6-27.7172.7-77.4171.6-177-177.43.7113.9I314 L354 K356 K362I314-R358 HydrophobicContact CD1-CG 4.38Å; L354-R358 HydrophobicContact CD1-CG 4.36Å; L354-R358 VanDerWaalsContact O-CB 3.32Å; L354-R358 WeakPolarHBondContact O-CB 3.24Å; L354-R358 WeakPolarHBondContact O-CD 3.5Å; L354-R358 WeakPolarHBondContact O-CG 3.33Å; L354-R358 PolarHBondContact O-N 3Å; L354-R358 VanDerWaalsContact O-N 3.17Å; K356-R358 VanDerWaalsContact C-N 3.29Å; K356-R358 PolarHBondContact O-N 3.1Å; R358-K362 WeakPolarHBondContact O-CG 3.31Å; R358-K362 PolarHBondContact O-N 3.2Å
359K97.1Very high94.5Very high154 Ų15482.4 Ų82.467%0.6740%0.397SS*.Hα-helixtrans-74.2-53.8172.4-69.1172.6179.2-179.10110A355 K356 G357 L361 K362 E363A355-K359 WeakPolarHBondContact O-CG 3.5Å; A355-K359 PolarHBondContact O-N 2.95Å; K356-K359 WeakPolarHBondContact O-CA 3.42Å; K356-K359 WeakPolarHBondContact O-CB 3.2Å; K356-K359 PolarHBondContact O-N 2.75Å; G357-K359 VanDerWaalsContact C-N 3.29Å; G357-K359 PolarHBondContact O-N 3.03Å; K359-L361 VanDerWaalsContact C-N 3.26Å; K359-L361 PolarHBondContact O-N 3.24Å; K359-K362 WeakPolarHBondContact O-CB 3.42Å; K359-K362 PolarHBondContact O-N 3.4Å; K359-E363 PolarHBondContact O-N 3.23Å
360Q96.9Very high93.5Very high84 Ų8482.8 Ų82.839%0.39340%0.401SS..Hα-helixtrans-55.2-39.4177.7-68.8167.4-66.600112.1L310 K356 G357 K362 E363 L364L310-Q360 HydrophobicContact CD2-CB 3.59Å; K356-Q360 PolarHBondContact O-N 2.83Å; K356-Q360 PolarHBondContact O-OE1 3.27Å; G357-Q360 PolarHBondContact O-N 3.02Å; Q360-K362 VanDerWaalsContact C-N 3.33Å; Q360-K362 PolarHBondContact O-N 2.78Å; Q360-E363 PolarHBondContact O-N 2.76Å; Q360-L364 WeakPolarHBondContact O-CB 3.47Å; Q360-L364 WeakPolarHBondContact O-CG 3.16Å; Q360-L364 PolarHBondContact O-N 3.27Å
361L96.1Very high91.8Very high28 Ų2887.3 Ų87.315%0.14742%0.424CS..Hα-helixtrans-69.6-29.1178.6-17762.4000112.8I307 L310 I314 G357 K359 K365I307-L361 HydrophobicContact CB-CD1 4.32Å; I307-L361 HydrophobicContact CG1-CD1 4.39Å; I307-L361 HydrophobicContact CG2-CD1 3.81Å; L310-L361 HydrophobicContact CD2-CB 3.79Å; L310-L361 HydrophobicContact CD2-CD1 4.44Å; L310-L361 VanDerWaalsContact CD2-N 3.34Å; L310-L361 HydrophobicContact CG-CB 4.17Å; I314-L361 HydrophobicContact CD1-CB 3.89Å; I314-L361 HydrophobicContact CD1-CD2 3.54Å; I314-L361 HydrophobicContact CD1-CG 4.32Å; G357-L361 VanDerWaalsContact O-CB 3.26Å; G357-L361 WeakPolarHBondContact O-CB 3.21Å; G357-L361 PolarHBondContact O-N 3.18Å; K359-L361 VanDerWaalsContact C-N 3.26Å; K359-L361 PolarHBondContact O-N 3.24Å; L361-K365 HydrophobicContact CD1-CD 4.48Å; L361-K365 WeakPolarHBondContact O-CB 3.4Å; L361-K365 VanDerWaalsContact O-CG 3.24Å; L361-K365 WeakPolarHBondContact O-CG 2.76Å; L361-K365 PolarHBondContact O-N 3.19Å
362K96.2Very high89.6Confident153 Ų15392.7 Ų92.767%0.66545%0.448SS*.Hα-helixtrans-73.5-45.5171.3-74.4179175.2-166.90110.4R358 K359 Q360 K365 L366R358-K362 WeakPolarHBondContact O-CG 3.31Å; R358-K362 PolarHBondContact O-N 3.2Å; K359-K362 WeakPolarHBondContact O-CB 3.42Å; K359-K362 PolarHBondContact O-N 3.4Å; Q360-K362 VanDerWaalsContact C-N 3.33Å; Q360-K362 PolarHBondContact O-N 2.78Å; K362-K365 PolarHBondContact O-N 2.58Å; K362-L366 WeakPolarHBondContact O-CG 3.37Å; K362-L366 PolarHBondContact O-N 2.76Å
363E95.5Very high87.1Confident96 Ų9691.7 Ų91.745%0.44946%0.458SS..Hα-helixtrans-60.2-50.2179.9-169.3-172.114900112.2K359 Q360 K365 L366 K367K359-E363 PolarHBondContact O-N 3.23Å; Q360-E363 PolarHBondContact O-N 2.76Å; E363-K365 VanDerWaalsContact C-N 3.29Å; E363-K365 PolarHBondContact O-N 2.72Å; E363-L366 PolarHBondContact O-N 3.23Å; E363-L366 VanDerWaalsContact O-N 3.12Å; E363-K367 PolarHBondContact O-N 2.83Å; E363-K367 WeakPolarHBondContact OE1-CE 3.03Å; E363-K367 IonicContact OE1-NZ 2.87Å; E363-K367 PolarHBondContact OE1-NZ 3.27Å
364L93.6Very high84.2Confident58 Ų5893.8 Ų93.830%0.30448%0.476SS..Hα-helixtrans-63.4-33.9177.5-68.9170.1000112.7Q305 I307 L310 Q360 L368Q305-L364 VanDerWaalsContact O-CD1 3.24Å; Q305-L364 WeakPolarHBondContact O-CD1 3.32Å; I307-L364 HydrophobicContact CD1-CB 4.17Å; I307-L364 HydrophobicContact CG1-CB 3.82Å; I307-L364 HydrophobicContact CG1-CD1 4.48Å; L310-L364 HydrophobicContact CD2-CD1 4.01Å; Q360-L364 WeakPolarHBondContact O-CB 3.47Å; Q360-L364 WeakPolarHBondContact O-CG 3.16Å; Q360-L364 PolarHBondContact O-N 3.27Å; L364-L368 PolarHBondContact O-N 3.35Å; L364-L368 VanDerWaalsContact O-N 3.12Å
365K92.4Very high81.1Confident117 Ų11797.3 Ų97.351%0.50951%0.507SS..Hα-helixtrans-72.8-29.7174-78.1-174.3174.3-155.30113.4I307 L361 K362 E363 S369I307-K365 HydrophobicContact CD1-CG 3.9Å; L361-K365 HydrophobicContact CD1-CD 4.48Å; L361-K365 WeakPolarHBondContact O-CB 3.4Å; L361-K365 VanDerWaalsContact O-CG 3.24Å; L361-K365 WeakPolarHBondContact O-CG 2.76Å; L361-K365 PolarHBondContact O-N 3.19Å; K362-K365 PolarHBondContact O-N 2.58Å; E363-K365 VanDerWaalsContact C-N 3.29Å; E363-K365 PolarHBondContact O-N 2.72Å; K365-S369 WeakPolarHBondContact O-CB 3.31Å; K365-S369 PolarHBondContact O-N 3.45Å
366L90.8Very high78.6Confident115 Ų115101.2 Ų101.260%0.60253%0.528SS*.Hα-helixtrans-71-47.4172.2-73.4167.2000110.2K362 E363 L368 S369 E370K362-L366 WeakPolarHBondContact O-CG 3.37Å; K362-L366 PolarHBondContact O-N 2.76Å; E363-L366 PolarHBondContact O-N 3.23Å; E363-L366 VanDerWaalsContact O-N 3.12Å; L366-L368 PolarHBondContact O-N 3.12Å; L366-S369 CarbonylContact O-C 3.48Å; L366-S369 WeakPolarHBondContact O-CA 3.26Å; L366-S369 WeakPolarHBondContact O-CB 3.3Å; L366-S369 PolarHBondContact O-N 3.38Å; L366-E370 WeakPolarHBondContact O-CB 3.28Å; L366-E370 PolarHBondContact O-N 2.73Å
367K89.1Confident75.8Confident104 Ų104106.5 Ų106.545%0.45255%0.551SS.*Hα-helixtrans-56.4-47177-69.7179.1-175.4173.40112.4E363 S369 E370 E371E363-K367 PolarHBondContact O-N 2.83Å; E363-K367 WeakPolarHBondContact OE1-CE 3.03Å; E363-K367 IonicContact OE1-NZ 2.87Å; E363-K367 PolarHBondContact OE1-NZ 3.27Å; K367-S369 PolarHBondContact O-N 3.35Å; K367-E370 PolarHBondContact O-N 2.78Å; K367-E370 VanDerWaalsContact O-N 3.14Å; K367-E371 WeakPolarHBondContact O-CB 3.41Å; K367-E371 PolarHBondContact O-N 2.74Å
368L80.5Confident72.9Confident91 Ų91109.3 Ų109.348%0.47658%0.58SS.*Hα-helixtrans-64.1-24.7173-72.7-170000114.4I307 L364 L366 Q372I307-L368 HydrophobicContact CD1-CD1 3.44Å; I307-L368 VanDerWaalsContact CD1-CD1 3.44Å; I307-L368 HydrophobicContact CD1-CG 4.18Å; L364-L368 PolarHBondContact O-N 3.35Å; L364-L368 VanDerWaalsContact O-N 3.12Å; L366-L368 PolarHBondContact O-N 3.12Å; L368-Q372 WeakPolarHBondContact O-CB 3.28Å; L368-Q372 WeakPolarHBondContact O-CG 3.01Å; L368-Q372 PolarHBondContact O-N 2.92Å
369S79.2Confident70.1Confident86 Ų86109 Ų10960%0.60159%0.594SS**Hα-helixtrans-84.8-19175.8-170.90000113.1K365 L366 K367K365-S369 WeakPolarHBondContact O-CB 3.31Å; K365-S369 PolarHBondContact O-N 3.45Å; L366-S369 CarbonylContact O-C 3.48Å; L366-S369 WeakPolarHBondContact O-CA 3.26Å; L366-S369 WeakPolarHBondContact O-CB 3.3Å; L366-S369 PolarHBondContact O-N 3.38Å; K367-S369 PolarHBondContact O-N 3.35Å
370E75.4Confident67.3Low141 Ų141107.6 Ų107.666%0.65960%0.601SS**Hα-helixtrans-87.7-46.2178.8-173.3169.4-16700109.8L366 K367 Q372 G373 S374L366-E370 WeakPolarHBondContact O-CB 3.28Å; L366-E370 PolarHBondContact O-N 2.73Å; K367-E370 PolarHBondContact O-N 2.78Å; K367-E370 VanDerWaalsContact O-N 3.14Å; E370-Q372 PolarHBondContact O-N 2.97Å; E370-G373 WeakPolarHBondContact O-CA 3.27Å; E370-G373 PolarHBondContact O-N 2.87Å; E370-S374 PolarHBondContact O-N 2.81Å
371E62.8Low64.2Low134 Ų134115 Ų11563%0.62663%0.625SS**Hα-helixtrans-60.5-40.8174.6-165.1174.4119.400112K367 G373 S374K367-E371 WeakPolarHBondContact O-CB 3.41Å; K367-E371 PolarHBondContact O-N 2.74Å; E371-G373 PolarHBondContact O-N 3.43Å; E371-S374 PolarHBondContact O-N 3.49Å; E371-S374 PolarHBondContact O-OG 2.79Å
372Q51.7Low61.4Low173 Ų173121.2 Ų121.281%0.80866%0.659SS**THydrogen-bonded Turntrans-73.5-3.7172.8-66.9-77.973.600113.8L368 E370L368-Q372 WeakPolarHBondContact O-CB 3.28Å; L368-Q372 WeakPolarHBondContact O-CG 3.01Å; L368-Q372 PolarHBondContact O-N 2.92Å; E370-Q372 PolarHBondContact O-N 2.97Å
373G46Very low58.4Low65 Ų65122.5 Ų122.567%0.6767%0.672SS**THydrogen-bonded Turntrans-100.9-15.9174.500000114.1E370 E371E370-G373 WeakPolarHBondContact O-CA 3.27Å; E370-G373 PolarHBondContact O-N 2.87Å; E371-G373 PolarHBondContact O-N 3.43Å
374S37.5Very low55.2Low79 Ų79126 Ų12655%0.55269%0.693SS**  trans-103.373.4-173.557.40000112.8E370 E371E370-S374 PolarHBondContact O-N 2.81Å; E371-S374 PolarHBondContact O-N 3.49Å; E371-S374 PolarHBondContact O-OG 2.79Å
375A32.6Very low52Low88 Ų88127.8 Ų127.873%0.72771%0.709SS**  trans-63134.6165.700000110.2K377A375-K377 PolarHBondContact O-N 3.4Å
376P45.5Very low48.9Very low131 Ų131131.2 Ų131.285%0.85173%0.727SS**  trans-63.3125.9-178.9-23.333.9000112.3G378P376-G378 PolarHBondContact O-N 2.76Å
377K38.4Very low46.3Very low212 Ų212133.6 Ų133.692%0.92274%0.735SS**  trans-73104.7170.7-76.5-173.7175.1-177.40110.2A375A375-K377 PolarHBondContact O-N 3.4Å
378G37Very low43.6Very low60 Ų60134.8 Ų134.862%0.61975%0.753SS**PPolyproline II helixtrans-69.8158.9161.700000111.7P376P376-G378 PolarHBondContact O-N 2.76Å
379P37.4Very low41.1Very low119 Ų119136.4 Ų136.477%0.77377%0.767SS**PPolyproline II helixtrans-67.5145179.6-18.832.5000112.5
380P39.7Very low39.1Very low126 Ų126138.5 Ų138.582%0.81878%0.776SS**PPolyproline II helixtrans-70.8137.6176.430.3-34.2000111
381R31.7Very low37.3Very low238 Ų238137.6 Ų137.690%0.89878%0.782SS**  trans-120.7115.1169.9-61.2-17070.3164.91.9108.8
382N36.3Very low35.9Very low159 Ų159141.5 Ų141.585%0.8579%0.791SS**  trans-68.6131.5173-63.5-54.6000110
383L33.7Very low34.9Very low180 Ų180140.1 Ų140.194%0.94279%0.785SS**  trans-142.7161.7152.2-83.2-172.9000109.6
384L27Very low34Very low170 Ų170143.9 Ų143.989%0.8979%0.789SS**  trans-92.2161.9-154.2-169.259000114
385C28.1Very low33.6Very low95 Ų95143.6 Ų143.664%0.64280%0.799SS**  trans-66.5142.7169.9178.90000112.6
386E27.4Very low33.7Very low190 Ų190149.2 Ų149.289%0.88881%0.807SS**  trans-134.2151.3141.9-77.2-149116.800109.8
387Q36.3Very low33.7Very low164 Ų164148.3 Ų148.377%0.76680%0.801SS**  trans-93.8175168.8-60.5-173.319.200110
388P32.3Very low33.2Very low129 Ų129147.2 Ų147.284%0.83880%0.8SS**  -141.2168.2115.335.2-21.5000115.8
389T26.1Very low33.1Very low126 Ų126149 Ų14977%0.77381%0.809SS**  trans-82.7158.8-170.4-39.80000114.5
390V37.8Very low32.7Very low130 Ų130148.5 Ų148.579%0.78881%0.814SS**  trans-59.8169.2162.5-730000113
391P38.5Very low32.2Very low121 Ų121145.9 Ų145.979%0.78681%0.81SS**  cis-143.5-162.722.942.5-19.9000118
392R33.1Very low33Very low217 Ų217141 Ų14182%0.81981%0.809SS**  trans-19.3158.2165.3-73.4-177.5164.4-154.10.3118
393E30.5Very low32.8Very low144 Ų144141.2 Ų141.267%0.67381%0.805SS**  -173.2147.556.2-173.2165.7129.700116.8
394N26.6Very low33.3Very low143 Ų143137.8 Ų137.877%0.76579%0.794SS**  trans48.9154.3154.4-63.6-23.4000123
395G28.9Very low33.2Very low73 Ų73134.6 Ų134.675%0.75379%0.786SS**  cis-168.7-168.97.500000118.7
396K35.1Very low33.3Very low206 Ų206135.5 Ų135.590%0.89679%0.793SS**  trans-63.5-175.7-176.5-102.5-173.7171.6-176.80115.4
397P46.6Very low33.6Very low113 Ų113132.1 Ų132.173%0.73479%0.79SS**  cis-120.7-166.51.215.313000112.6
398E26.6Very low33.6Very low189 Ų189127.2 Ų127.288%0.88378%0.784SS**  cis-160.2139.132.8-173.1175.5117.600114.5
399A34.8Very low34.1Very low98 Ų98130.8 Ų130.881%0.8179%0.79SS**  trans-167.1136.7154.500000109.1
400A30.4Very low35Very low107 Ų107133.2 Ų133.288%0.88479%0.792SS**  trans-101.1153.2163.800000108.3
401G28.6Very low35.7Very low72 Ų72132 Ų13274%0.74279%0.785SS**  cis140.8159.717.300000107.1
402P48.5Very low36.5Very low134 Ų134131.5 Ų131.587%0.8778%0.782SS**  cis-124.9176.715.242.5-28.7000116
403E33Very low37.1Very low164 Ų164126.2 Ų126.277%0.76677%0.77SS**  trans-85.4178.6169.5-78.6-73.2154.200111
404P42.8Very low38.3Very low108 Ų108121.5 Ų121.570%0.70176%0.755SS**  cis-150.6159.525.744.9-23.8000122.2
405S26Very low39.7Very low103 Ų103117.4 Ų117.472%0.7274%0.741SS**  trans57.2115135.370.10000124.3
406S30.3Very low41.1Very low115 Ų115119.3 Ų119.380%0.80473%0.734SS**  trans-173.8119.3133.9-171.10000107.3
407S34Very low42.2Very low118 Ų118113.3 Ų113.383%0.82572%0.715SS**  75111.359-173.50000114.8
408G36.3Very low42.5Very low62 Ų62111.4 Ų111.464%0.63970%0.703SS**  trans106105154.400000118.4
409E42.7Very low43.8Very low204 Ų204108.3 Ų108.395%0.95369%0.692SS**  trans35.499135.5-165.5175.5161.200119.5
410E44.4Very low44.7Very low177 Ų177110.4 Ų110.483%0.82768%0.683SS**  trans-128.1137.1170.1-69.1-163.6155.900114.9
411T52.4Low45.6Very low104 Ų104110.7 Ų110.764%0.63867%0.666SS**  trans-64.2146.2-170.8-430000114.3D413 A414T411-D413 PolarHBondContact O-N 3.48Å; T411-A414 PolarHBondContact O-N 2.67Å
412P55.3Low46.7Very low111 Ų111117 Ų11772%0.72167%0.667SS**THydrogen-bonded Turntrans-59.9-14.7-17922.6-35.8000116.3A414 A415P412-A414 VanDerWaalsContact C-N 3.33Å; P412-A415 PolarHBondContact O-N 3.35Å
413D46.4Very low46.8Very low106 Ų106121.3 Ų121.357%0.56767%0.666SS**Hα-helixtrans-67.6-32.4177.8-159.254.7000112.5T411 A415 L416 T417T411-D413 PolarHBondContact O-N 3.48Å; D413-A415 VanDerWaalsContact C-N 3.26Å; D413-A415 PolarHBondContact O-N 2.9Å; D413-L416 PolarHBondContact O-N 3.15Å; D413-L416 VanDerWaalsContact O-N 3.12Å; D413-T417 PolarHBondContact O-N 2.8Å; D413-T417 VanDerWaalsContact O-N 3.16Å; D413-T417 PolarHBondContact O-OG1 2.68Å
414A55.3Low47.5Very low44 Ų44120.8 Ų120.836%0.36466%0.664SS.*Hα-helixtrans-63.7-30.1175.900000112.9T411 P412 T417 C418T411-A414 PolarHBondContact O-N 2.67Å; P412-A414 VanDerWaalsContact C-N 3.33Å; A414-T417 WeakPolarHBondContact CA-OG1 3.48Å; A414-T417 PolarHBondContact O-OG1 3.33Å; A414-T417 VanDerWaalsContact O-OG1 3.09Å; A414-C418 VanDerWaalsContact O-CB 3.29Å; A414-C418 WeakPolarHBondContact O-CB 3.26Å; A414-C418 PolarHBondContact O-N 3.17Å; A414-C418 VanDerWaalsContact O-N 3.09Å
415A56.6Low47.5Very low57 Ų57122.6 Ų122.647%0.47166%0.663SS.*Hα-helixtrans-69.6-34.3175.600000112P412 D413 L419P412-A415 PolarHBondContact O-N 3.35Å; D413-A415 VanDerWaalsContact C-N 3.26Å; D413-A415 PolarHBondContact O-N 2.9Å; A415-L419 WeakPolarHBondContact O-CB 3.29Å; A415-L419 VanDerWaalsContact O-CG 3.29Å; A415-L419 WeakPolarHBondContact O-CG 3.31Å; A415-L419 PolarHBondContact O-N 2.91Å; A415-L419 VanDerWaalsContact O-N 3.07Å
416L57.1Low47.9Very low114 Ų114124.5 Ų124.560%0.59766%0.664SS**Hα-helixtrans-75.7-37.8179.6-63.9178.6000112.1D413 K420D413-L416 PolarHBondContact O-N 3.15Å; D413-L416 VanDerWaalsContact O-N 3.12Å; L416-K420 WeakPolarHBondContact O-CB 3.49Å; L416-K420 PolarHBondContact O-N 2.82Å
417T58.9Low48.3Very low80 Ų80124.1 Ų124.149%0.49166%0.659SS.*Hα-helixtrans-68.3-43.6174.251.30000111.8D413 A414 L419 K420 E421D413-T417 PolarHBondContact O-N 2.8Å; D413-T417 VanDerWaalsContact O-N 3.16Å; D413-T417 PolarHBondContact O-OG1 2.68Å; A414-T417 WeakPolarHBondContact CA-OG1 3.48Å; A414-T417 PolarHBondContact O-OG1 3.33Å; A414-T417 VanDerWaalsContact O-OG1 3.09Å; T417-L419 PolarHBondContact O-N 2.74Å; T417-K420 WeakPolarHBondContact O-CB 3.19Å; T417-K420 PolarHBondContact O-N 3.12Å; T417-K420 VanDerWaalsContact O-N 3.1Å; T417-E421 PolarHBondContact O-N 3.34Å
418C51.5Low49Very low73 Ų73125.2 Ų125.249%0.49366%0.663SS.*Hα-helixtrans-62.4-40175.1-174.30000112.7A414 K420 E421 R422A414-C418 VanDerWaalsContact O-CB 3.29Å; A414-C418 WeakPolarHBondContact O-CB 3.26Å; A414-C418 PolarHBondContact O-N 3.17Å; A414-C418 VanDerWaalsContact O-N 3.09Å; C418-K420 VanDerWaalsContact C-N 3.32Å; C418-K420 PolarHBondContact O-N 2.89Å; C418-E421 PolarHBondContact O-N 2.92Å; C418-R422 WeakPolarHBondContact O-CB 3.37Å; C418-R422 PolarHBondContact O-N 3.5Å
419L53.8Low48.9Very low123 Ų123130.1 Ų130.164%0.64467%0.67SS**Hα-helixtrans-65.4-31.3172.5-80.5170000113.3A415 T417A415-L419 WeakPolarHBondContact O-CB 3.29Å; A415-L419 VanDerWaalsContact O-CG 3.29Å; A415-L419 WeakPolarHBondContact O-CG 3.31Å; A415-L419 PolarHBondContact O-N 2.91Å; A415-L419 VanDerWaalsContact O-N 3.07Å; T417-L419 PolarHBondContact O-N 2.74Å
420K55.3Low48.6Very low142 Ų142128.4 Ų128.462%0.61766%0.661SS**Hα-helixtrans-71.7-49.2174.1-173.7-172.8173-167.10111.1L416 T417 C418 R422 R423L416-K420 WeakPolarHBondContact O-CB 3.49Å; L416-K420 PolarHBondContact O-N 2.82Å; T417-K420 WeakPolarHBondContact O-CB 3.19Å; T417-K420 PolarHBondContact O-N 3.12Å; T417-K420 VanDerWaalsContact O-N 3.1Å; C418-K420 VanDerWaalsContact C-N 3.32Å; C418-K420 PolarHBondContact O-N 2.89Å; K420-R422 VanDerWaalsContact C-N 3.32Å; K420-R422 PolarHBondContact O-N 3.31Å; K420-R423 WeakPolarHBondContact O-CB 3.45Å; K420-R423 PolarHBondContact O-N 3.37Å
421E48.6Very low48.7Very low113 Ų113127.3 Ų127.353%0.52866%0.661SS.*Hα-helixtrans-60-41.7179.7-169-171.6164.600111.8T417 C418 R423 E424 Q425T417-E421 PolarHBondContact O-N 3.34Å; C418-E421 PolarHBondContact O-N 2.92Å; E421-R423 PolarHBondContact O-N 3.36Å; E421-E424 PolarHBondContact O-N 2.98Å; E421-Q425 PolarHBondContact OE1-NE2 2.99Å; E421-Q425 VanDerWaalsContact OE1-NE2 3.13Å
422R51.7Low48.4Very low205 Ų205127.5 Ų127.577%0.77467%0.667SS**THydrogen-bonded Turntrans-59.9-13.9173.9-88.4-72.7-178.3171.4-1.1114.8C418 K420C418-R422 WeakPolarHBondContact O-CB 3.37Å; C418-R422 PolarHBondContact O-N 3.5Å; K420-R422 VanDerWaalsContact C-N 3.32Å; K420-R422 PolarHBondContact O-N 3.31Å
423R50.8Low48.4Very low224 Ų224131.4 Ų131.485%0.84567%0.673SS**THydrogen-bonded Turntrans-90.1-16.3175.7-157176.7-170.2163.84.1113.4K420 E421K420-R423 WeakPolarHBondContact O-CB 3.45Å; K420-R423 PolarHBondContact O-N 3.37Å; E421-R423 PolarHBondContact O-N 3.36Å
424E47Very low48.8Very low154 Ų154130.1 Ų130.172%0.7267%0.669SS**THydrogen-bonded Turntrans-101.4-15.7-171.2-138.4161.6138.600113E421E421-E424 PolarHBondContact O-N 2.98Å
425Q43.3Very low49.3Very low145 Ų145131.6 Ų131.668%0.67867%0.673SS**SBendtrans-98.238.5-179.8-59.5-162.234.600114.7E421E421-Q425 PolarHBondContact OE1-NE2 2.99Å; E421-Q425 VanDerWaalsContact OE1-NE2 3.13Å
426L33.9Very low50Low144 Ų144137.5 Ų137.575%0.75469%0.688SS**SBendtrans-133.4128.4173.2-93.7170.3000111.8
427P39.6Very low50.9Low106 Ų106139.5 Ų139.569%0.68869%0.694SS**  trans-63152.8175.2-22.533.7000112.9Q429P427-Q429 PolarHBondContact O-N 3.1Å
428P48.4Very low51.9Low142 Ų142138.9 Ų138.992%0.92269%0.688SS**  trans-72.788.5177.5-13.729.7000111.8
429Q34.5Very low53.3Low165 Ų165141.2 Ų141.277%0.77169%0.69SS**  trans-99.2100.2176-167.7172.618.500112.6P427P427-Q429 PolarHBondContact O-N 3.1Å
430E36.4Very low54.8Low167 Ų167140.5 Ų140.578%0.7869%0.687SS**  trans43.7142.7147.1-60.1-172.7100.100121.9S432E430-S432 PolarHBondContact O-N 3.22Å
431D45.3Very low56.5Low154 Ų154140.5 Ų140.582%0.82469%0.693SS**  trans-57.791173.1-69.9-80.3000113.5K433D431-K433 PolarHBondContact O-N 2.89Å
432S47.2Very low58.6Low109 Ų109139.6 Ų139.676%0.76269%0.69SS**  trans-62102166.559.40000109.7E430 V434E430-S432 PolarHBondContact O-N 3.22Å; S432-V434 VanDerWaalsContact C-N 3.31Å; S432-V434 PolarHBondContact O-N 3.39Å
433K53.9Low60.3Low193 Ų193134.9 Ų134.984%0.83968%0.676SS**  trans-65.182.2-170.5-69.3161.8-172.6159.10111.9D431 T435D431-K433 PolarHBondContact O-N 2.89Å; K433-T435 PolarHBondContact O-N 2.82Å
434V55.7Low62.3Low79 Ų79127.7 Ų127.748%0.47966%0.658SS.*  trans-30.2107.2-172.1-172.10000111.8S432 D438 K439S432-V434 VanDerWaalsContact C-N 3.31Å; S432-V434 PolarHBondContact O-N 3.39Å; V434-D438 HydrophobicContact CG1-CB 3.94Å; V434-K439 HydrophobicContact CG1-CD 4.38Å; V434-K439 HydrophobicContact CG1-CG 3.96Å; V434-K439 VanDerWaalsContact O-CE 3.28Å; V434-K439 WeakPolarHBondContact O-CE 3.36Å; V434-K439 PolarHBondContact O-NZ 3.02Å
435T66.1Low64.6Low75 Ų75124.8 Ų124.846%0.4665%0.647SS.*  trans-68159-163.7-33.30000110.3K433 Q437 D438 K439K433-T435 PolarHBondContact O-N 2.82Å; T435-Q437 PolarHBondContact O-N 2.85Å; T435-D438 WeakPolarHBondContact CA-OD2 3.47Å; T435-D438 WeakPolarHBondContact CB-OD2 3.49Å; T435-D438 PolarHBondContact N-OD2 3.18Å; T435-D438 PolarHBondContact O-N 3.47Å; T435-D438 PolarHBondContact OG1-OD2 2.82Å; T435-K439 PolarHBondContact O-N 3.12Å; T435-K439 VanDerWaalsContact O-N 3.08Å
436K71.9Confident67Low181 Ų181125.1 Ų125.179%0.78764%0.643SS**THydrogen-bonded Turntrans-60.6-26.3174-68.6177.9-175.2168.40112.1N440K436-N440 PolarHBondContact O-N 3.41Å; K436-N440 PolarHBondContact O-ND2 3.29Å
437Q75.2Confident69.8Low155 Ų155120 Ų12072%0.72462%0.616SS**THydrogen-bonded Turntrans-74.2-48.9175.1-72.1178.8-19.300111.5T435 K439 N440 L441T435-Q437 PolarHBondContact O-N 2.85Å; Q437-K439 PolarHBondContact O-N 3.28Å; Q437-N440 CarbonylContact O-C 3.46Å; Q437-N440 WeakPolarHBondContact O-CA 3.38Å; Q437-N440 WeakPolarHBondContact O-CB 3.24Å; Q437-N440 PolarHBondContact O-N 3.23Å; Q437-L441 PolarHBondContact O-N 2.78Å
438D79.8Confident72.5Confident68 Ų68122.4 Ų122.436%0.36461%0.612SS.*Hα-helixtrans-55.2-40.9176.4-38.3-21.5000111.7V434 T435 N440 L441 I442V434-D438 HydrophobicContact CG1-CB 3.94Å; T435-D438 WeakPolarHBondContact CA-OD2 3.47Å; T435-D438 WeakPolarHBondContact CB-OD2 3.49Å; T435-D438 PolarHBondContact N-OD2 3.18Å; T435-D438 PolarHBondContact O-N 3.47Å; T435-D438 PolarHBondContact OG1-OD2 2.82Å; D438-N440 PolarHBondContact O-N 3.25Å; D438-L441 PolarHBondContact O-N 2.94Å; D438-L441 VanDerWaalsContact O-N 3.15Å; D438-I442 WeakPolarHBondContact O-CG2 3.35Å; D438-I442 PolarHBondContact O-N 2.93Å
439K81.8Confident74.7Confident121 Ų121121.5 Ų121.553%0.52659%0.591SS.*Hα-helixtrans-64.6-23174.4-78.3163.7178.5153.60114.2V434 T435 Q437 K443V434-K439 HydrophobicContact CG1-CD 4.38Å; V434-K439 HydrophobicContact CG1-CG 3.96Å; V434-K439 VanDerWaalsContact O-CE 3.28Å; V434-K439 WeakPolarHBondContact O-CE 3.36Å; V434-K439 PolarHBondContact O-NZ 3.02Å; T435-K439 PolarHBondContact O-N 3.12Å; T435-K439 VanDerWaalsContact O-N 3.08Å; Q437-K439 PolarHBondContact O-N 3.28Å; K439-K443 WeakPolarHBondContact O-CB 3.2Å
440N85Confident77.7Confident109 Ų109120 Ų12058%0.58358%0.578SS**Hα-helixtrans-88.3-33.6170.2-76.3-67.9000111.9K436 Q437 D438 K443 P444K436-N440 PolarHBondContact O-N 3.41Å; K436-N440 PolarHBondContact O-ND2 3.29Å; Q437-N440 CarbonylContact O-C 3.46Å; Q437-N440 WeakPolarHBondContact O-CA 3.38Å; Q437-N440 WeakPolarHBondContact O-CB 3.24Å; Q437-N440 PolarHBondContact O-N 3.23Å; D438-N440 PolarHBondContact O-N 3.25Å; N440-K443 PolarHBondContact O-N 3.5Å; N440-P444 WeakPolarHBondContact O-CD 3.48Å
441L90.2Very high80.4Confident141 Ų141116.4 Ų116.474%0.73856%0.563SS**Hα-helixtrans-67.3-42.9177.4-175.162.2000112.3Q437 D438 K443Q437-L441 PolarHBondContact O-N 2.78Å; D438-L441 PolarHBondContact O-N 2.94Å; D438-L441 VanDerWaalsContact O-N 3.15Å; L441-K443 VanDerWaalsContact C-N 3.29Å; L441-K443 PolarHBondContact O-N 2.75Å
442I92.1Very high82.7Confident94 Ų94113.8 Ų113.848%0.48255%0.548SS..Hα-helixtrans-74-19.4177.7-158.863.7000112.8D438 L445 Y446D438-I442 WeakPolarHBondContact O-CG2 3.35Å; D438-I442 PolarHBondContact O-N 2.93Å; I442-L445 HydrophobicContact CD1-CD1 4.13Å; I442-L445 WeakPolarHBondContact O-CB 3.32Å; I442-L445 PolarHBondContact O-N 3.15Å; I442-Y446 PolarHBondContact O-N 2.93Å
443K88Confident84.8Confident107 Ų107114 Ų11447%0.46554%0.536SS..Hα-helixtrans-65.2-48.7-171.4170.1167.4169.449.20113.5K439 N440 L441 L445 Y446 D447K439-K443 WeakPolarHBondContact O-CB 3.2Å; N440-K443 PolarHBondContact O-N 3.5Å; L441-K443 VanDerWaalsContact C-N 3.29Å; L441-K443 PolarHBondContact O-N 2.75Å; K443-L445 VanDerWaalsContact C-N 3.27Å; K443-L445 PolarHBondContact O-N 3.04Å; K443-Y446 PolarHBondContact O-N 3.18Å; K443-Y446 VanDerWaalsContact O-N 3.12Å; K443-D447 VanDerWaalsContact CG-OD2 3.26Å; K443-D447 WeakPolarHBondContact CG-OD2 3.47Å; K443-D447 IonicContact NZ-OD1 2.68Å; K443-D447 IonicContact NZ-OD2 3.99Å; K443-D447 PolarHBondContact NZ-OD2 3.12Å; K443-D447 WeakPolarHBondContact O-CB 3.4Å; K443-D447 PolarHBondContact O-N 3.3Å
444P92.5Very high86.5Confident72 Ų72110.4 Ų110.447%0.46852%0.522SS..Hα-helixtrans-57.5-35.8173.3-27.735000113.9N440 R448N440-P444 WeakPolarHBondContact O-CD 3.48Å; P444-R448 WeakPolarHBondContact O-CB 3.44Å; P444-R448 WeakPolarHBondContact O-CG 3.35Å; P444-R448 PolarHBondContact O-N 2.97Å
445L94.9Very high88.1Confident93 Ų93111.4 Ų111.449%0.48752%0.523SS..Hα-helixtrans-65-45.8174.3-73.9159.3000111.1I442 K443 R448 Y449I442-L445 HydrophobicContact CD1-CD1 4.13Å; I442-L445 WeakPolarHBondContact O-CB 3.32Å; I442-L445 PolarHBondContact O-N 3.15Å; K443-L445 VanDerWaalsContact C-N 3.27Å; K443-L445 PolarHBondContact O-N 3.04Å; L445-R448 VanDerWaalsContact CD2-NH2 3.32Å; L445-R448 PolarHBondContact O-N 2.78Å; L445-Y449 WeakPolarHBondContact O-CB 3.35Å; L445-Y449 PolarHBondContact O-N 2.82Å
446Y94.8Very high88.9Confident152 Ų152114.6 Ų114.660%0.59654%0.537SS*.Hα-helixtrans-69-35.4179.4-146.3-86.3000113I442 K443 R450I442-Y446 PolarHBondContact O-N 2.93Å; K443-Y446 PolarHBondContact O-N 3.18Å; K443-Y446 VanDerWaalsContact O-N 3.12Å; Y446-R450 WeakPolarHBondContact O-CB 3.27Å; Y446-R450 PolarHBondContact O-N 3.01Å
447D92.9Very high89.5Confident37 Ų37109.8 Ų109.820%0.19853%0.526CS..Hα-helixtrans-67.4-42.8172.8-79-54.9000111.4K443 R450 I451K443-D447 VanDerWaalsContact CG-OD2 3.26Å; K443-D447 WeakPolarHBondContact CG-OD2 3.47Å; K443-D447 IonicContact NZ-OD1 2.68Å; K443-D447 IonicContact NZ-OD2 3.99Å; K443-D447 PolarHBondContact NZ-OD2 3.12Å; K443-D447 WeakPolarHBondContact O-CB 3.4Å; K443-D447 PolarHBondContact O-N 3.3Å; D447-R450 PolarHBondContact O-N 2.96Å; D447-R450 IonicContact OD1-CZ 3.14Å; D447-R450 IonicContact OD1-NH1 3.91Å; D447-R450 PolarHBondContact OD1-NH1 3.42Å; D447-R450 IonicContact OD1-NH2 2.71Å; D447-R450 PolarHBondContact OD1-NH2 2.89Å; D447-I451 WeakPolarHBondContact O-CG1 3.38Å; D447-I451 PolarHBondContact O-N 2.99Å
448R96.1Very high89.1Confident156 Ų156105.4 Ų105.459%0.58951%0.51SS*.Hα-helixtrans-60.8-47.6172-76.7-169.8-64.2-143.95.5112.2P444 L445 R450 I451 I452P444-R448 WeakPolarHBondContact O-CB 3.44Å; P444-R448 WeakPolarHBondContact O-CG 3.35Å; P444-R448 PolarHBondContact O-N 2.97Å; L445-R448 VanDerWaalsContact CD2-NH2 3.32Å; L445-R448 PolarHBondContact O-N 2.78Å; R448-R450 VanDerWaalsContact C-N 3.32Å; R448-R450 PolarHBondContact O-N 3.29Å; R448-I451 PolarHBondContact O-N 3.23Å; R448-I451 VanDerWaalsContact O-N 3.15Å; R448-I452 WeakPolarHBondContact O-CG1 3.47Å; R448-I452 PolarHBondContact O-N 3.41Å
449Y95.1Very high88.1Confident123 Ų123108.2 Ų108.248%0.48253%0.532SS..Hα-helixtrans-58.6-42.2176.1167.5-118.5000112L445 I451 I452 K453L445-Y449 WeakPolarHBondContact O-CB 3.35Å; L445-Y449 PolarHBondContact O-N 2.82Å; Y449-I451 PolarHBondContact O-N 2.84Å; Y449-I452 PolarHBondContact O-N 2.96Å; Y449-K453 HydrophobicContact CE2-CB 4.43Å; Y449-K453 VanDerWaalsContact O-CB 3.32Å; Y449-K453 WeakPolarHBondContact O-CB 3.39Å; Y449-K453 PolarHBondContact O-N 3.24Å
450R96.5Very high86.8Confident133 Ų133106.9 Ų106.950%0.50254%0.538SS..Hα-helixtrans-63-39.9175.3-171-174.664.5-105.8-8.1112.1Y446 D447 R448 Q454Y446-R450 WeakPolarHBondContact O-CB 3.27Å; Y446-R450 PolarHBondContact O-N 3.01Å; D447-R450 PolarHBondContact O-N 2.96Å; D447-R450 IonicContact OD1-CZ 3.14Å; D447-R450 IonicContact OD1-NH1 3.91Å; D447-R450 PolarHBondContact OD1-NH1 3.42Å; D447-R450 IonicContact OD1-NH2 2.71Å; D447-R450 PolarHBondContact OD1-NH2 2.89Å; R448-R450 VanDerWaalsContact C-N 3.32Å; R448-R450 PolarHBondContact O-N 3.29Å; R450-Q454 VanDerWaalsContact O-CB 3.29Å; R450-Q454 WeakPolarHBondContact O-CB 3.12Å; R450-Q454 PolarHBondContact O-N 3.37Å
451I92.7Very high85.2Confident93 Ų93109.4 Ų109.448%0.47755%0.55SS.*Hα-helixtrans-64.7-48.1177.3-68.5162.3000110.6D447 R448 Y449 K453 Q454 I455D447-I451 WeakPolarHBondContact O-CG1 3.38Å; D447-I451 PolarHBondContact O-N 2.99Å; R448-I451 PolarHBondContact O-N 3.23Å; R448-I451 VanDerWaalsContact O-N 3.15Å; Y449-I451 PolarHBondContact O-N 2.84Å; I451-K453 PolarHBondContact O-N 2.92Å; I451-Q454 WeakPolarHBondContact O-CB 3.41Å; I451-Q454 PolarHBondContact O-N 3.47Å; I451-I455 HydrophobicContact CG2-CD1 3.83Å; I451-I455 WeakPolarHBondContact O-CG1 3.32Å; I451-I455 PolarHBondContact O-N 3.38Å
452I93.4Very high83.4Confident99 Ų99108.5 Ų108.551%0.50855%0.545SS..Hα-helixtrans-59.5-48.1176.6-66.5164.8000110.2R448 Y449 Q454 I455 L456R448-I452 WeakPolarHBondContact O-CG1 3.47Å; R448-I452 PolarHBondContact O-N 3.41Å; Y449-I452 PolarHBondContact O-N 2.96Å; I452-Q454 VanDerWaalsContact C-N 3.3Å; I452-Q454 PolarHBondContact O-N 2.77Å; I452-I455 PolarHBondContact O-N 3.21Å; I452-L456 HydrophobicContact CG2-CD1 3.78Å; I452-L456 HydrophobicContact CG2-CG 4.37Å; I452-L456 WeakPolarHBondContact O-CB 3.02Å; I452-L456 WeakPolarHBondContact O-CG 3.45Å; I452-L456 PolarHBondContact O-N 3.45Å
453K92.1Very high81Confident114 Ų114109.2 Ų109.250%0.49656%0.556SS.*Hα-helixtrans-61.4-37.2176.6-176.4167.3-177.6168.80112.3Y449 I451 S457Y449-K453 HydrophobicContact CE2-CB 4.43Å; Y449-K453 VanDerWaalsContact O-CB 3.32Å; Y449-K453 WeakPolarHBondContact O-CB 3.39Å; Y449-K453 PolarHBondContact O-N 3.24Å; I451-K453 PolarHBondContact O-N 2.92Å; K453-S457 VanDerWaalsContact O-CB 3.27Å; K453-S457 WeakPolarHBondContact O-CB 3.32Å; K453-S457 PolarHBondContact O-N 3.47Å; K453-S457 PolarHBondContact O-OG 3.26Å
454Q90.2Very high78.6Confident116 Ų116109.8 Ų109.854%0.54257%0.568SS.*Hα-helixtrans-63.4-48.5175.6-176.864.457.500111R450 I451 I452 L456 S457 T458R450-Q454 VanDerWaalsContact O-CB 3.29Å; R450-Q454 WeakPolarHBondContact O-CB 3.12Å; R450-Q454 PolarHBondContact O-N 3.37Å; I451-Q454 WeakPolarHBondContact O-CB 3.41Å; I451-Q454 PolarHBondContact O-N 3.47Å; I452-Q454 VanDerWaalsContact C-N 3.3Å; I452-Q454 PolarHBondContact O-N 2.77Å; Q454-L456 VanDerWaalsContact C-N 3.34Å; Q454-L456 PolarHBondContact O-N 3.27Å; Q454-S457 PolarHBondContact O-N 3.01Å; Q454-S457 VanDerWaalsContact O-N 3.16Å; Q454-T458 PolarHBondContact O-N 3.42Å; Q454-T458 PolarHBondContact O-OG1 3.01Å; Q454-T458 VanDerWaalsContact O-OG1 3.1Å
455I87.9Confident76.4Confident101 Ų101113.3 Ų113.352%0.51858%0.582SS.*Hα-helixtrans-60.8-43.1178.6-66.6164.4000110.8I451 I452 S457 T458I451-I455 HydrophobicContact CG2-CD1 3.83Å; I451-I455 WeakPolarHBondContact O-CG1 3.32Å; I451-I455 PolarHBondContact O-N 3.38Å; I452-I455 PolarHBondContact O-N 3.21Å; I455-S457 VanDerWaalsContact C-N 3.33Å; I455-S457 PolarHBondContact O-N 3.05Å; I455-T458 PolarHBondContact O-N 3.14Å; I455-T458 PolarHBondContact O-OG1 3.05Å
456L84.7Confident73.9Confident142 Ų142117.7 Ų117.774%0.74360%0.6SS**Hα-helixtrans-73.8-18.5177.3-64.5173.9000114.1I452 Q454I452-L456 HydrophobicContact CG2-CD1 3.78Å; I452-L456 HydrophobicContact CG2-CG 4.37Å; I452-L456 WeakPolarHBondContact O-CB 3.02Å; I452-L456 WeakPolarHBondContact O-CG 3.45Å; I452-L456 PolarHBondContact O-N 3.45Å; Q454-L456 VanDerWaalsContact C-N 3.34Å; Q454-L456 PolarHBondContact O-N 3.27Å
457S84.6Confident71.7Confident80 Ų80119.1 Ų119.156%0.55961%0.612SS**Hα-helixtrans-93.4-13.4175.7-52.50000113.1K453 Q454 I455K453-S457 VanDerWaalsContact O-CB 3.27Å; K453-S457 WeakPolarHBondContact O-CB 3.32Å; K453-S457 PolarHBondContact O-N 3.47Å; K453-S457 PolarHBondContact O-OG 3.26Å; Q454-S457 PolarHBondContact O-N 3.01Å; Q454-S457 VanDerWaalsContact O-N 3.16Å; I455-S457 VanDerWaalsContact C-N 3.33Å; I455-S457 PolarHBondContact O-N 3.05Å
458T66.8Low69.6Low63 Ų63126.6 Ų126.639%0.38765%0.645SS.*SBendtrans-93.1123.1169.646.60000109Q454 I455 S460Q454-T458 PolarHBondContact O-N 3.42Å; Q454-T458 PolarHBondContact O-OG1 3.01Å; Q454-T458 VanDerWaalsContact O-OG1 3.1Å; I455-T458 PolarHBondContact O-N 3.14Å; I455-T458 PolarHBondContact O-OG1 3.05Å; T458-S460 PolarHBondContact O-N 3.35Å; T458-S460 VanDerWaalsContact O-N 3.12Å
459P58.6Low67Low127 Ų127126.7 Ų126.783%0.82566%0.658SS**  trans-57.8122.9168.125.5-32.6000108.1L461P459-L461 PolarHBondContact O-N 3.31Å; P459-L461 VanDerWaalsContact O-N 3.1Å
460S53.9Low65.1Low93 Ų93125.9 Ų125.965%0.6567%0.67SS**  trans-74.8104.9-177.2-160.50000108.5T458 I462T458-S460 PolarHBondContact O-N 3.35Å; T458-S460 VanDerWaalsContact O-N 3.12Å; S460-I462 PolarHBondContact O-N 2.98Å
461L51.5Low62.4Low162 Ų162127.1 Ų127.185%0.84869%0.687SS**  trans-78.666.8176.7-152161.6000108.8P459P459-L461 PolarHBondContact O-N 3.31Å; P459-L461 VanDerWaalsContact O-N 3.1Å
462I53.1Low60.1Low122 Ų122131.2 Ų131.263%0.62670%0.704SS**  trans-69.8126.2165.7-57.4177.1000105.9S460 T464S460-I462 PolarHBondContact O-N 2.98Å; I462-T464 PolarHBondContact O-N 3.4Å
463P40.7Very low57.3Low109 Ų109133.6 Ų133.671%0.70872%0.717SS**  trans-68.699.1166.8-10.726.7000107.4I465P463-I465 PolarHBondContact O-N 3.44Å
464T37.5Very low54.8Low119 Ų119139.1 Ų139.173%0.7374%0.735SS**  trans-59.6126.2157.5-54.30000106.1I462 E466I462-T464 PolarHBondContact O-N 3.4Å; T464-E466 PolarHBondContact O-N 3.3Å
465I45.9Very low52.6Low145 Ų145139.2 Ų139.274%0.74475%0.746SS**  trans-69.1113.9173-54.2168000105.2P463 E467P463-I465 PolarHBondContact O-N 3.44Å; I465-E467 VanDerWaalsContact C-N 3.35Å; I465-E467 PolarHBondContact O-N 3.37Å
466E43.4Very low50.3Low186 Ų186144.1 Ų144.187%0.86977%0.767SS**  trans-72.693.3175.3-67.8-179.5148.300107.8T464 E468T464-E466 PolarHBondContact O-N 3.3Å; E466-E468 PolarHBondContact O-N 2.93Å
467E49.1Very low47.5Very low182 Ų182141 Ų14185%0.8577%0.768SS**  trans-72.6106.8160.7-69.7-165152.500107.5I465 D469I465-E467 VanDerWaalsContact C-N 3.35Å; I465-E467 PolarHBondContact O-N 3.37Å; E467-D469 PolarHBondContact O-N 3.41Å
468E47.6Very low45.1Very low193 Ų193141.8 Ų141.890%0.90277%0.774SS**  trans-71103.7173.8-178.2-177.917300109E466E466-E468 PolarHBondContact O-N 2.93Å
469D42.2Very low43.5Very low158 Ų158147.7 Ų147.785%0.84580%0.797SS**  trans-132.3147.4160.8-158.42.4000110.1E467E467-D469 PolarHBondContact O-N 3.41Å
470S54.3Low42.2Very low106 Ų106150.4 Ų150.474%0.74180%0.799SS**  trans-135.6108.1-161.7160.10000110
471D39.3Very low41.9Very low160 Ų160151.6 Ų151.686%0.85681%0.805SS**  trans-142.3154.2164.6-145.1-12.5000112.5
472E45.7Very low40.8Very low179 Ų179148.4 Ų148.484%0.83680%0.796SS**  trans-79.1139.7168.6-72.4-155.392.800110
473D35Very low39.8Very low148 Ų148150.7 Ų150.779%0.79181%0.809SS**  -164.3159.7113.9-135.2-34.8000113.6
474R38.2Very low39.3Very low231 Ų231149.4 Ų149.487%0.87281%0.807SS**  trans-131.2122.8162.1-98.2-162.5-179.699.2-4109.8
475P45.5Very low38.9Very low118 Ų118151 Ų15177%0.76681%0.811SS**  trans-99.9148.8149.7-13.431.6000112.9
476Q37.9Very low39Very low203 Ų203148.9 Ų148.995%0.94981%0.807SS**  trans-83.3158.3172.4-57.4154.5-69.300110.8
477G27.1Very low38.3Very low76 Ų76144.1 Ų144.178%0.78480%0.8SS**  trans175.789.4166.300000117.8
478S34.3Very low37.4Very low98 Ų98140.1 Ų140.169%0.68579%0.792SS**  141.2104.6129.4-171.70000116.1
479Q31.7Very low36.6Very low186 Ų186139.2 Ų139.287%0.86979%0.787SS**  trans71.7110139.3-64.7174.98400121.6
480Q32.7Very low36.3Very low184 Ų184139.5 Ų139.586%0.8679%0.788SS**  trans-50.4176146.2-100.7-178.9-21.500114
481P46.7Very low35.8Very low119 Ų119139.7 Ų139.777%0.77379%0.786SS**  cis-129.317630.6251.4000115.2
482S28.4Very low35.3Very low95 Ų95138.8 Ų138.866%0.66479%0.786SS**  cis-164.7154.947.1520000116.5
483L32.3Very low34.6Very low169 Ų169133.6 Ų133.689%0.88578%0.781SS**  trans37.8135.7144.4-63.9158.8000120
484A29.5Very low34.3Very low83 Ų83133 Ų13369%0.68678%0.778SS**  cis-160.9139.7-4.800000106.8
485D30.7Very low34.2Very low152 Ų152130.2 Ų130.281%0.81377%0.774SS**  71.3138.567-149.962.6000114.1
486P47.9Very low33.6Very low100 Ų100131.4 Ų131.465%0.64977%0.773SS**  cis-134.9175-22.336.3-18.8000116.4
487A28.8Very low33.2Very low87 Ų87127.3 Ų127.372%0.71976%0.762SS**  trans66.3164.5152.400000118.7
488S30.5Very low33.3Very low98 Ų98133.6 Ų133.669%0.68576%0.764SS**  cis-145.3125.97.4580000114.8
489H29.9Very low33.3Very low174 Ų174133.8 Ų133.881%0.80677%0.766SS**  trans47.4138.1132.1-43-53.1000124.1
490L36Very low33.2Very low164 Ų164131 Ų13186%0.85976%0.756SS**  trans-71.1-170.9157.9-53173.5000110.2
491P44.5Very low33Very low109 Ų109130 Ų13071%0.70875%0.752SS**  cis-151.8-165.310.747.3-26000117.9
492V28.3Very low32.4Very low141 Ų141130.2 Ų130.286%0.85575%0.751SS**  trans66.1143.4151.9166.60000119.5
493G29.8Very low32.9Very low70 Ų70133 Ų13372%0.72275%0.753SS**  trans174.81.4170.200000121.9
494D29.5Very low32.9Very low137 Ų137130.1 Ų130.173%0.73375%0.745SS**  trans10.4134.5166.9-71.321.4000123.8
495H36.1Very low33.2Very low172 Ų172131.4 Ų131.480%0.79674%0.744SS**  trans66.3120.2149.2-84.3-94.9000119
496L33Very low33.7Very low142 Ų142134.1 Ų134.174%0.74374%0.743SS**  -172.6145.565.8-119.9168.4000115.2
497T30.3Very low32.9Very low117 Ų117134.1 Ų134.172%0.71875%0.751SS**  trans71120.9152.723.70000124.2
498Y27.7Very low33.2Very low208 Ų208136.9 Ų136.982%0.81675%0.754SS**  8683.9125.9-149.7-89.6000121.3
499S34.3Very low33.3Very low103 Ų103140.1 Ų140.172%0.7276%0.762SS**  -173153.3113.8-77.40000112
500N31.2Very low33.8Very low126 Ų126137 Ų13767%0.67476%0.758SS**  trans-63.8132.6-174.1-75.659.7000113.2
501E28.4Very low33.4Very low164 Ų164134.9 Ų134.977%0.76675%0.747SS**  61.9126.392.5-56.1-179.3155.900113.4
502T33.7Very low33.2Very low123 Ų123136.3 Ų136.376%0.75574%0.744SS**  cis-148.2133.919-61.10000112.6
503E39Very low33.7Very low153 Ų153137.9 Ų137.972%0.71574%0.739SS**  trans-150.1117.1159.6-141.9-72174.900108.3V505E503-V505 WeakPolarHBondContact OE2-CG2 3.46Å; E503-V505 PolarHBondContact OE2-N 2.79Å
504P31.6Very low34.1Very low110 Ų110140.9 Ų140.971%0.71473%0.733SS**  trans-11190.5-178.136.5-25.4000113R506P504-R506 PolarHBondContact O-N 2.68Å
505V36.6Very low34.4Very low109 Ų109141.7 Ų141.766%0.66173%0.732SS**  trans-66.4118.4171.6176.90000112E503E503-V505 WeakPolarHBondContact OE2-CG2 3.46Å; E503-V505 PolarHBondContact OE2-N 2.79Å
506R41.5Very low34.5Very low209 Ų209138.4 Ų138.479%0.78972%0.724SS**  trans61.6109166.3-69.1-172.6-66.9-161.7-2.1118.1P504P504-R506 PolarHBondContact O-N 2.68Å
507A29.8Very low34.8Very low100 Ų100138.9 Ų138.983%0.82672%0.72SS**  -90.2147.1129.400000109.5
508L36.5Very low35.3Very low146 Ų146137.4 Ų137.476%0.76471%0.712SS**  trans-111.5132.7170.6-83.2168.6000109.1
509L32.7Very low35.8Very low165 Ų165131.9 Ų131.986%0.86470%0.702SS**  trans62.4164.2173-66.3161.1000115.8
510P39.4Very low36.5Very low110 Ų110131.7 Ų131.771%0.71471%0.707SS**  cis-122.1138.8-33.132.2-18000111.4
511D27.7Very low37.8Very low118 Ų118127.5 Ų127.563%0.63168%0.684SS**  trans-125.9103.4150.5-174.63.4000107.2K513D511-K513 HydrophobicContact CB-CG 4.44Å; D511-K513 PolarHBondContact O-N 2.87Å; D511-K513 PolarHBondContact OD1-N 3.07Å; D511-K513 WeakPolarHBondContact OD2-CE 3.44Å; D511-K513 WeakPolarHBondContact OD2-CG 3.38Å; D511-K513 IonicContact OD2-NZ 2.74Å
512E41.1Very low39.9Very low139 Ų139122.7 Ų122.765%0.6567%0.669SS**  trans-7173.2167.4-80.3-138.797.600109.2K514E512-K514 HydrophobicContact CB-CG 4.46Å; E512-K514 VanDerWaalsContact CD-CE 3.45Å; E512-K514 PolarHBondContact O-N 3.32Å; E512-K514 VanDerWaalsContact OE1-CE 3.3Å; E512-K514 WeakPolarHBondContact OE1-CE 3.39Å; E512-K514 IonicContact OE1-NZ 2.8Å; E512-K514 WeakPolarHBondContact OE2-CE 3.48Å; E512-K514 IonicContact OE2-NZ 2.67Å; E512-K514 PolarHBondContact OE2-NZ 2.96Å
513K37.7Very low41.6Very low174 Ų174119.6 Ų119.676%0.75765%0.647SS**  trans-65.171.6153.5-59.5-171.2-171.9-1780108D511 E515D511-K513 HydrophobicContact CB-CG 4.44Å; D511-K513 PolarHBondContact O-N 2.87Å; D511-K513 PolarHBondContact OD1-N 3.07Å; D511-K513 WeakPolarHBondContact OD2-CE 3.44Å; D511-K513 WeakPolarHBondContact OD2-CG 3.38Å; D511-K513 IonicContact OD2-NZ 2.74Å; K513-E515 PolarHBondContact O-N 3.37Å
514K37.7Very low42.8Very low133 Ų133115.5 Ų115.558%0.57864%0.635SS**  trans-56.990.6153-72.5169.3178.3147.40105.3E512 V516E512-K514 HydrophobicContact CB-CG 4.46Å; E512-K514 VanDerWaalsContact CD-CE 3.45Å; E512-K514 PolarHBondContact O-N 3.32Å; E512-K514 VanDerWaalsContact OE1-CE 3.3Å; E512-K514 WeakPolarHBondContact OE1-CE 3.39Å; E512-K514 IonicContact OE1-NZ 2.8Å; E512-K514 WeakPolarHBondContact OE2-CE 3.48Å; E512-K514 IonicContact OE2-NZ 2.67Å; E512-K514 PolarHBondContact OE2-NZ 2.96Å; K514-V516 HydrophobicContact CB-CG2 3.75Å; K514-V516 PolarHBondContact O-N 2.94Å
515E36.7Very low45.2Very low154 Ų154113.8 Ų113.872%0.7262%0.619SS**  trans-53.487.8138.5-175.9-172.1-152.600104.8K513 K517K513-E515 PolarHBondContact O-N 3.37Å; E515-K517 PolarHBondContact O-N 2.87Å
516V37.9Very low47.6Very low104 Ų104108.6 Ų108.663%0.6359%0.588SS**  trans-69.179.1169.5-177.20000104.9K514 P518K514-V516 HydrophobicContact CB-CG2 3.75Å; K514-V516 PolarHBondContact O-N 2.94Å; V516-P518 VanDerWaalsContact O-N 3.1Å
517K40.4Very low49.6Very low151 Ų151104.4 Ų104.466%0.65758%0.577SS**  trans-43.9119.8148.5-80.4178.7177.6167.10104.7E515 P519E515-K517 PolarHBondContact O-N 2.87Å; K517-P519 VanDerWaalsContact O-N 3.14Å
518P39Very low52.2Low86 Ų86106.5 Ų106.556%0.55857%0.57SS**  trans-51.8128.7-173.320.4-32.4000107.4V516 A520V516-P518 VanDerWaalsContact O-N 3.1Å; P518-A520 WeakPolarHBondContact O-CA 3.3Å; P518-A520 PolarHBondContact O-N 3.08Å
519P39.3Very low54.7Low92 Ų92100 Ų10060%0.59754%0.537SS*.  trans-51.4115.9-166.819.8-33.1000108K517 L521K517-P519 VanDerWaalsContact O-N 3.14Å; P519-L521 WeakPolarHBondContact O-CA 3.36Å; P519-L521 VanDerWaalsContact O-CD2 3.24Å; P519-L521 WeakPolarHBondContact O-CD2 3.45Å; P519-L521 WeakPolarHBondContact O-CG 3.45Å; P519-L521 PolarHBondContact O-N 2.9Å
520A48.9Very low57.4Low100 Ų10096.5 Ų96.583%0.82652%0.523SS*.  trans-6097.7-153.900000110.7P518 S522P518-A520 WeakPolarHBondContact O-CA 3.3Å; P518-A520 PolarHBondContact O-N 3.08Å; A520-S522 PolarHBondContact O-N 3.3Å
521L58.6Low60Low38 Ų3892 Ų9220%0.19949%0.493CS..  trans-68.5104.5-163.4-66.7-172.6000109.4P519 N525 L526 V533P519-L521 WeakPolarHBondContact O-CA 3.36Å; P519-L521 VanDerWaalsContact O-CD2 3.24Å; P519-L521 WeakPolarHBondContact O-CD2 3.45Å; P519-L521 WeakPolarHBondContact O-CG 3.45Å; P519-L521 PolarHBondContact O-N 2.9Å; L521-N525 HydrophobicContact CB-CB 4.47Å; L521-N525 HydrophobicContact CD2-CB 4.04Å; L521-L526 HydrophobicContact CB-CD2 4.17Å; L521-V533 HydrophobicContact CD1-CG1 4.11Å
522S71.8Confident63Low63 Ų6390 Ų9044%0.44149%0.486SS..  trans-50.4153.2169.9172.30000109.9A520 S524 N525A520-S522 PolarHBondContact O-N 3.3Å; S522-S524 VanDerWaalsContact CB-OG 3.28Å; S522-S524 WeakPolarHBondContact CB-OG 3.34Å; S522-S524 PolarHBondContact O-N 2.71Å; S522-S524 PolarHBondContact OG-N 3.14Å; S522-S524 PolarHBondContact OG-OG 3.27Å; S522-N525 PolarHBondContact O-N 2.88Å
523M69.8Low65.5Low58 Ų5885.8 Ų85.829%0.28647%0.47SS..THydrogen-bonded Turntrans-52.7-25.6173.8-74.1-70.1-72.900113.4L526 H584 K588 L591M523-L526 HydrophobicContact SD-CD1 3.84Å; M523-H584 WeakPolarHBondContact CG-NE2 3.49Å; M523-K588 HydrophobicContact CE-CB 4.33Å; M523-K588 HydrophobicContact SD-CB 3.54Å; M523-K588 VanDerWaalsContact SD-CB 3.54Å; M523-K588 HydrophobicContact SD-CD 4.03Å; M523-K588 HydrophobicContact SD-CG 3.61Å; M523-L591 HydrophobicContact CE-CB 4.39Å; M523-L591 HydrophobicContact CE-CD2 3.6Å; M523-L591 HydrophobicContact SD-CD2 4.28Å
524S64.9Low68.2Low67 Ų6777.5 Ų77.547%0.46943%0.434SS..THydrogen-bonded Turntrans-63.2-45.7171.244.80000112.7S522 L526 H527S522-S524 VanDerWaalsContact CB-OG 3.28Å; S522-S524 WeakPolarHBondContact CB-OG 3.34Å; S522-S524 PolarHBondContact O-N 2.71Å; S522-S524 PolarHBondContact OG-N 3.14Å; S522-S524 PolarHBondContact OG-OG 3.27Å; S524-L526 VanDerWaalsContact C-N 3.32Å; S524-L526 PolarHBondContact O-N 2.89Å; S524-H527 PolarHBondContact O-ND1 3.27Å
525N82.2Confident70.9Confident73 Ų7375.1 Ų75.139%0.3943%0.427SS..G310 helixtrans-84.9-8.1-165.7-56.628.9000112.6L521 S522 H527 E528L521-N525 HydrophobicContact CB-CB 4.47Å; L521-N525 HydrophobicContact CD2-CB 4.04Å; S522-N525 PolarHBondContact O-N 2.88Å; N525-H527 PolarHBondContact O-N 3.38Å; N525-E528 PolarHBondContact O-N 2.7Å
526L86.1Confident73.7Confident0 Ų071 Ų710%041%0.41CS..G310 helixtrans-64.8-24.3179.8-62.3178.2000113.4L521 M523 S524 E528 A529 L534 K588 L591 L592 L595L521-L526 HydrophobicContact CB-CD2 4.17Å; M523-L526 HydrophobicContact SD-CD1 3.84Å; S524-L526 VanDerWaalsContact C-N 3.32Å; S524-L526 PolarHBondContact O-N 2.89Å; L526-E528 VanDerWaalsContact C-N 3.33Å; L526-A529 WeakPolarHBondContact O-CB 3.44Å; L526-A529 PolarHBondContact O-N 2.92Å; L526-L534 WeakPolarHBondContact O-CD2 3.46Å; L526-K588 HydrophobicContact CD1-CD 4.4Å; L526-K588 HydrophobicContact CD1-CG 3.97Å; L526-L591 HydrophobicContact CD1-CD2 4.09Å; L526-L592 HydrophobicContact CD1-CD2 4.25Å; L526-L592 HydrophobicContact CD1-CG 4.43Å; L526-L592 HydrophobicContact CD2-CD2 4.21Å; L526-L595 HydrophobicContact CB-CD1 4.02Å; L526-L595 WeakPolarHBondContact O-CD1 3.45Å
527H83.3Confident76.4Confident122 Ų12266.9 Ų66.957%0.56538%0.383SS*.G310 helixtrans-76.2-21.1-175.981.4-69.7000114S524 N525 L595S524-H527 PolarHBondContact O-ND1 3.27Å; N525-H527 PolarHBondContact O-N 3.38Å; H527-L595 HydrophobicContact CB-CD2 4.4Å
528E85.1Confident79.1Confident143 Ų14360.3 Ų60.367%0.66836%0.355SS*.THydrogen-bonded Turntrans-91.3-11.6175.2-68157.9-131.400112.5N525 L526N525-E528 PolarHBondContact O-N 2.7Å; L526-E528 VanDerWaalsContact C-N 3.33Å
529A87.7Confident81.9Confident9 Ų963.7 Ų63.77%0.07436%0.357CS..  trans-67.9133.9-17400000112.8L526 V533 L534 Q599L526-A529 WeakPolarHBondContact O-CB 3.44Å; L526-A529 PolarHBondContact O-N 2.92Å; A529-V533 HydrophobicContact CB-CB 4.33Å; A529-V533 HydrophobicContact CB-CG1 4.11Å; A529-L534 HydrophobicContact CB-CD2 3.93Å; A529-L534 HydrophobicContact CB-CG 3.98Å; A529-L534 WeakPolarHBondContact O-CD1 3.44Å; A529-Q599 PolarHBondContact O-NE2 3.44Å; A529-Q599 VanDerWaalsContact O-NE2 3.08Å
530T90.8Very high84.6Confident93 Ų9363.5 Ų63.557%0.57135%0.348SS*.  trans-65.8148.1174.8-260000111.3P532 V533 L534T530-P532 VanDerWaalsContact O-N 3.14Å; T530-V533 WeakPolarHBondContact O-CA 3.4Å; T530-V533 WeakPolarHBondContact O-CB 3.3Å; T530-V533 PolarHBondContact O-N 3.36Å; T530-L534 PolarHBondContact O-N 3.3Å
531M92.9Very high86.9Confident16 Ų1658.9 Ų58.98%0.07931%0.31CS..Hα-helixtrans-39.1-50.5177.9-86.6-57.7-69.400117.6V533 L534 L535 I596 Q599 D600M531-V533 VanDerWaalsContact C-N 3.35Å; M531-V533 PolarHBondContact O-N 3.29Å; M531-L534 WeakPolarHBondContact O-CB 3.11Å; M531-L534 PolarHBondContact O-N 2.95Å; M531-L534 HydrophobicContact SD-CD1 4.33Å; M531-L535 HydrophobicContact CE-CD1 4.17Å; M531-L535 HydrophobicContact CE-CG 4.31Å; M531-L535 WeakPolarHBondContact O-CG 3.41Å; M531-L535 PolarHBondContact O-N 2.99Å; M531-I596 HydrophobicContact CE-CG2 4.12Å; M531-I596 HydrophobicContact SD-CG1 4.35Å; M531-Q599 HydrophobicContact CG-CB 3.87Å; M531-Q599 HydrophobicContact SD-CB 3.52Å; M531-Q599 VanDerWaalsContact SD-CB 3.52Å; M531-Q599 HydrophobicContact SD-CG 4.45Å; M531-D600 WeakPolarHBondContact CE-OD1 3.45Å
532P91.9Very high88.8Confident76 Ų7663.4 Ų63.449%0.49432%0.324SS..Hα-helixtrans-60.8-43.6177.522.5-33000112T530 L534 L535 D536T530-P532 VanDerWaalsContact O-N 3.14Å; P532-L534 VanDerWaalsContact C-N 3.32Å; P532-L534 PolarHBondContact O-N 3.44Å; P532-L535 PolarHBondContact O-N 3.12Å; P532-L535 VanDerWaalsContact O-N 3.12Å; P532-D536 PolarHBondContact O-N 2.9Å
533V93.1Very high90Very high50 Ų5063.2 Ų63.230%0.30333%0.326SS..Hα-helixtrans-62-39.4176.5-175.50000111.1L521 A529 T530 M531 D536 H537L521-V533 HydrophobicContact CD1-CG1 4.11Å; A529-V533 HydrophobicContact CB-CB 4.33Å; A529-V533 HydrophobicContact CB-CG1 4.11Å; T530-V533 WeakPolarHBondContact O-CA 3.4Å; T530-V533 WeakPolarHBondContact O-CB 3.3Å; T530-V533 PolarHBondContact O-N 3.36Å; M531-V533 VanDerWaalsContact C-N 3.35Å; M531-V533 PolarHBondContact O-N 3.29Å; V533-D536 PolarHBondContact O-N 3.39Å; V533-H537 WeakPolarHBondContact O-CB 3.33Å; V533-H537 PolarHBondContact O-N 2.85Å; V533-H537 PolarHBondContact O-ND1 3.35Å
534L94.4Very high91.3Very high0 Ų062.4 Ų62.40%032%0.323CS..Hα-helixtrans-63.5-41.3173.4-74.2173.3000112.6L526 A529 T530 M531 P532 L538 L592 L595 I596L526-L534 WeakPolarHBondContact O-CD2 3.46Å; A529-L534 HydrophobicContact CB-CD2 3.93Å; A529-L534 HydrophobicContact CB-CG 3.98Å; A529-L534 WeakPolarHBondContact O-CD1 3.44Å; T530-L534 PolarHBondContact O-N 3.3Å; M531-L534 WeakPolarHBondContact O-CB 3.11Å; M531-L534 PolarHBondContact O-N 2.95Å; M531-L534 HydrophobicContact SD-CD1 4.33Å; P532-L534 VanDerWaalsContact C-N 3.32Å; P532-L534 PolarHBondContact O-N 3.44Å; L534-L538 VanDerWaalsContact O-CB 3.3Å; L534-L538 WeakPolarHBondContact O-CB 3.26Å; L534-L538 PolarHBondContact O-N 2.93Å; L534-L592 HydrophobicContact CD2-CD2 3.69Å; L534-L595 HydrophobicContact CD1-CB 4.15Å; L534-L595 HydrophobicContact CD2-CB 4.17Å; L534-L595 HydrophobicContact CD2-CD1 4.09Å; L534-I596 HydrophobicContact CB-CD1 4.14Å; L534-I596 HydrophobicContact CB-CG1 3.8Å; L534-I596 HydrophobicContact CD1-CG1 4.31Å
535L95Very high92.9Very high83 Ų8362 Ų6244%0.43531%0.313SS..Hα-helixtrans-68.5-36.9177.6-70.4167.5000112M531 P532 L538 R539 I596M531-L535 HydrophobicContact CE-CD1 4.17Å; M531-L535 HydrophobicContact CE-CG 4.31Å; M531-L535 WeakPolarHBondContact O-CG 3.41Å; M531-L535 PolarHBondContact O-N 2.99Å; P532-L535 PolarHBondContact O-N 3.12Å; P532-L535 VanDerWaalsContact O-N 3.12Å; L535-L538 PolarHBondContact O-N 3.36Å; L535-R539 PolarHBondContact O-N 3.32Å; L535-I596 HydrophobicContact CD2-CD1 4.02Å
536D94.9Very high93.7Very high68 Ų6866.3 Ų66.336%0.36433%0.328SS..Hα-helixtrans-64.4-49.3172.7-70.2-32.9000111.4P532 V533 L538 R539 E540P532-D536 PolarHBondContact O-N 2.9Å; V533-D536 PolarHBondContact O-N 3.39Å; D536-L538 VanDerWaalsContact C-N 3.26Å; D536-L538 PolarHBondContact O-N 3.02Å; D536-R539 WeakPolarHBondContact O-CB 3.42Å; D536-R539 PolarHBondContact O-N 3Å; D536-R539 IonicContact OD1-CZ 2.65Å; D536-R539 IonicContact OD1-NH1 2.8Å; D536-R539 PolarHBondContact OD1-NH1 3.24Å; D536-R539 IonicContact OD1-NH2 3.76Å; D536-R539 PolarHBondContact OD1-NH2 3.42Å; D536-E540 PolarHBondContact O-N 3.5Å
537H94.8Very high94.3Very high16 Ų1673.2 Ų73.27%0.07435%0.354CS..Hα-helixtrans-61.3-34.1174.2-78.578000112.1V533 E540 T541 L592V533-H537 WeakPolarHBondContact O-CB 3.33Å; V533-H537 PolarHBondContact O-N 2.85Å; V533-H537 PolarHBondContact O-ND1 3.35Å; H537-E540 IonicContact CD2-OE2 2.62Å; H537-T541 WeakPolarHBondContact O-CB 3.1Å; H537-T541 PolarHBondContact O-N 3.03Å; H537-T541 PolarHBondContact O-OG1 3Å; H537-L592 HydrophobicContact CB-CD1 4.11Å; H537-L592 HydrophobicContact CB-CD2 3.9Å
538L96Very high95Very high13 Ų1367.6 Ų67.67%0.06833%0.329CS..Hα-helixtrans-66.5-39.7173.8-178.467.9000111.5L534 L535 D536 R542 L589 L592 E593 I596L534-L538 VanDerWaalsContact O-CB 3.3Å; L534-L538 WeakPolarHBondContact O-CB 3.26Å; L534-L538 PolarHBondContact O-N 2.93Å; L535-L538 PolarHBondContact O-N 3.36Å; D536-L538 VanDerWaalsContact C-N 3.26Å; D536-L538 PolarHBondContact O-N 3.02Å; L538-R542 VanDerWaalsContact O-CB 3.26Å; L538-R542 WeakPolarHBondContact O-CB 3.41Å; L538-R542 WeakPolarHBondContact O-CD 3.35Å; L538-R542 WeakPolarHBondContact O-CG 3.39Å; L538-R542 PolarHBondContact O-N 3.25Å; L538-R542 VanDerWaalsContact O-N 3.08Å; L538-L589 HydrophobicContact CD1-CD2 3.81Å; L538-L592 HydrophobicContact CD1-CB 4.1Å; L538-E593 HydrophobicContact CD1-CG 4.04Å; L538-I596 HydrophobicContact CB-CD1 4.03Å; L538-I596 HydrophobicContact CD2-CD1 3.62Å; L538-I596 HydrophobicContact CG-CD1 4.33Å
539R97.7Very high95.6Very high157 Ų15766 Ų6659%0.59232%0.316SS*.Hα-helixtrans-65.5-49.7175.3-179177.764.8-103.1-0.6111.4L535 D536 R542 A543L535-R539 PolarHBondContact O-N 3.32Å; D536-R539 WeakPolarHBondContact O-CB 3.42Å; D536-R539 PolarHBondContact O-N 3Å; D536-R539 IonicContact OD1-CZ 2.65Å; D536-R539 IonicContact OD1-NH1 2.8Å; D536-R539 PolarHBondContact OD1-NH1 3.24Å; D536-R539 IonicContact OD1-NH2 3.76Å; D536-R539 PolarHBondContact OD1-NH2 3.42Å; R539-R542 WeakPolarHBondContact O-CB 3.43Å; R539-R542 PolarHBondContact O-N 3.01Å; R539-A543 PolarHBondContact O-N 3.43Å
540E96.7Very high96.1Very high89 Ų8971.2 Ų71.242%0.41634%0.337SS..Hα-helixtrans-59.7-54.2177.5-178.8-172.5-119.300111.4D536 H537 R542 A543 D544D536-E540 PolarHBondContact O-N 3.5Å; H537-E540 IonicContact CD2-OE2 2.62Å; E540-R542 PolarHBondContact O-N 2.9Å; E540-R542 VanDerWaalsContact O-N 3.12Å; E540-A543 CarbonylContact O-C 3.52Å; E540-A543 WeakPolarHBondContact O-CA 3.47Å; E540-A543 VanDerWaalsContact O-CB 3.32Å; E540-A543 WeakPolarHBondContact O-CB 3.38Å; E540-A543 PolarHBondContact O-N 3.45Å; E540-D544 PolarHBondContact O-N 2.91Å
541T97Very high96.4Very high3 Ų368.2 Ų68.22%0.01832%0.322CS..Hα-helixtrans-62-27.1-179.7-52.80000111.7H537 K545 I585 K588 L589 L592H537-T541 WeakPolarHBondContact O-CB 3.1Å; H537-T541 PolarHBondContact O-N 3.03Å; H537-T541 PolarHBondContact O-OG1 3Å; T541-K545 WeakPolarHBondContact O-CB 3.41Å; T541-K545 PolarHBondContact O-N 3.17Å; T541-I585 HydrophobicContact CG2-CB 4.38Å; T541-I585 HydrophobicContact CG2-CG1 4.36Å; T541-I585 HydrophobicContact CG2-CG2 3.87Å; T541-K588 HydrophobicContact CG2-CB 3.88Å; T541-K588 HydrophobicContact CG2-CD 4.08Å; T541-K588 HydrophobicContact CG2-CG 3.83Å; T541-K588 WeakPolarHBondContact OG1-CE 3.36Å; T541-L589 HydrophobicContact CG2-CD2 3.53Å; T541-L589 HydrophobicContact CG2-CG 3.66Å; T541-L592 HydrophobicContact CG2-CD1 4.42Å
542R98.1Very high96.7Very high132 Ų13267.9 Ų67.950%0.49832%0.32SS..Hα-helixtrans-72-37.5170-78.9169.7177.7177.9-1.7112.3L538 R539 E540 K546 L589 E593L538-R542 VanDerWaalsContact O-CB 3.26Å; L538-R542 WeakPolarHBondContact O-CB 3.41Å; L538-R542 WeakPolarHBondContact O-CD 3.35Å; L538-R542 WeakPolarHBondContact O-CG 3.39Å; L538-R542 PolarHBondContact O-N 3.25Å; L538-R542 VanDerWaalsContact O-N 3.08Å; R539-R542 WeakPolarHBondContact O-CB 3.43Å; R539-R542 PolarHBondContact O-N 3.01Å; E540-R542 PolarHBondContact O-N 2.9Å; E540-R542 VanDerWaalsContact O-N 3.12Å; R542-K546 PolarHBondContact O-N 2.9Å; R542-L589 HydrophobicContact CG-CD1 4.41Å; R542-L589 HydrophobicContact CG-CD2 3.76Å; R542-E593 IonicContact NH2-OE1 2.68Å
543A98.1Very high96.9Very high59 Ų5971.2 Ų71.249%0.48832%0.323SS..Hα-helixtrans-66.9-45.8174.600000111.7R539 E540 K545 K546 R547R539-A543 PolarHBondContact O-N 3.43Å; E540-A543 CarbonylContact O-C 3.52Å; E540-A543 WeakPolarHBondContact O-CA 3.47Å; E540-A543 VanDerWaalsContact O-CB 3.32Å; E540-A543 WeakPolarHBondContact O-CB 3.38Å; E540-A543 PolarHBondContact O-N 3.45Å; A543-K545 PolarHBondContact O-N 2.84Å; A543-K546 CarbonylContact O-C 3.55Å; A543-K546 WeakPolarHBondContact O-CA 3.24Å; A543-K546 VanDerWaalsContact O-CB 3.27Å; A543-K546 WeakPolarHBondContact O-CB 3.25Å; A543-K546 PolarHBondContact O-N 2.88Å; A543-R547 PolarHBondContact O-N 3.43Å
544D97.4Very high97.2Very high42 Ų4272.4 Ų72.423%0.22533%0.325CS..Hα-helixtrans-63.5-39.4176.6-85.9-49.6000113E540 K546 R547 L548 I585E540-D544 PolarHBondContact O-N 2.91Å; D544-K546 PolarHBondContact O-N 3.22Å; D544-R547 WeakPolarHBondContact O-CB 3.33Å; D544-R547 PolarHBondContact O-N 3.39Å; D544-R547 VanDerWaalsContact O-N 3.12Å; D544-R547 IonicContact OD1-CZ 3.58Å; D544-R547 IonicContact OD1-NE 3.79Å; D544-R547 PolarHBondContact OD1-NE 3.28Å; D544-R547 IonicContact OD1-NH2 2.61Å; D544-R547 PolarHBondContact OD1-NH2 2.89Å; D544-L548 PolarHBondContact O-N 3.48Å; D544-I585 HydrophobicContact CB-CD1 3.81Å
545K98.1Very high97.3Very high58 Ų5873.8 Ų73.825%0.25233%0.331SS..Hα-helixtrans-58.1-31.9170.5178.7175.5168.7-169.40112.7T541 A543 R549 Y582 I585 L589T541-K545 WeakPolarHBondContact O-CB 3.41Å; T541-K545 PolarHBondContact O-N 3.17Å; A543-K545 PolarHBondContact O-N 2.84Å; K545-R549 WeakPolarHBondContact O-CB 3.33Å; K545-R549 PolarHBondContact O-N 2.92Å; K545-Y582 HydrophobicContact CG-CE2 3.93Å; K545-I585 HydrophobicContact CB-CG2 3.7Å; K545-L589 HydrophobicContact CB-CD1 4.49Å; K545-L589 HydrophobicContact CD-CD1 3.21Å; K545-L589 HydrophobicContact CG-CD1 4.5Å
546K98.4Very high97.4Very high164 Ų16473.1 Ų73.171%0.71333%0.326SS*.Hα-helixtrans-75.5-42.5174.4-172.7-174.3176.5-172.80110.7R542 A543 D544 R549 K550R542-K546 PolarHBondContact O-N 2.9Å; A543-K546 CarbonylContact O-C 3.55Å; A543-K546 WeakPolarHBondContact O-CA 3.24Å; A543-K546 VanDerWaalsContact O-CB 3.27Å; A543-K546 WeakPolarHBondContact O-CB 3.25Å; A543-K546 PolarHBondContact O-N 2.88Å; D544-K546 PolarHBondContact O-N 3.22Å; K546-R549 PolarHBondContact O-N 2.84Å; K546-K550 PolarHBondContact O-N 3.34Å
547R98.4Very high97.5Very high144 Ų14475 Ų7554%0.54333%0.333SS..Hα-helixtrans-58.7-56.9175.6-177.6178.363.487-4.4111.8A543 D544 R549 K550 A551A543-R547 PolarHBondContact O-N 3.43Å; D544-R547 WeakPolarHBondContact O-CB 3.33Å; D544-R547 PolarHBondContact O-N 3.39Å; D544-R547 VanDerWaalsContact O-N 3.12Å; D544-R547 IonicContact OD1-CZ 3.58Å; D544-R547 IonicContact OD1-NE 3.79Å; D544-R547 PolarHBondContact OD1-NE 3.28Å; D544-R547 IonicContact OD1-NH2 2.61Å; D544-R547 PolarHBondContact OD1-NH2 2.89Å; R547-R549 VanDerWaalsContact C-N 3.31Å; R547-R549 PolarHBondContact O-N 3.38Å; R547-K550 WeakPolarHBondContact O-CA 3.26Å; R547-K550 WeakPolarHBondContact O-CB 3.42Å; R547-K550 PolarHBondContact O-N 2.82Å; R547-A551 PolarHBondContact O-N 2.83Å
548L98.1Very high97.6Very high5 Ų579 Ų793%0.02635%0.351CS..Hα-helixtrans-62.2-36.9178.6-66.6174.3000112.1D544 K550 A551 L552 E578 E581 Y582 I585D544-L548 PolarHBondContact O-N 3.48Å; L548-K550 VanDerWaalsContact C-N 3.27Å; L548-K550 PolarHBondContact O-N 3.04Å; L548-A551 PolarHBondContact O-N 3.39Å; L548-L552 WeakPolarHBondContact O-CB 3.29Å; L548-L552 VanDerWaalsContact O-CG 3.3Å; L548-L552 WeakPolarHBondContact O-CG 3.49Å; L548-L552 PolarHBondContact O-N 2.84Å; L548-E578 HydrophobicContact CD2-CB 3.95Å; L548-E578 HydrophobicContact CD2-CG 3.77Å; L548-E581 HydrophobicContact CD1-CB 3.7Å; L548-Y582 HydrophobicContact CB-CD2 4.15Å; L548-I585 HydrophobicContact CD1-CD1 3.45Å; L548-I585 VanDerWaalsContact CD1-CD1 3.45Å
549R98.2Very high97.7Very high109 Ų10979.6 Ų79.641%0.41135%0.353SS..Hα-helixtrans-68.4-22172.2-171.9-174.3-67.2175.6-5.1113.1K545 K546 R547 R553 Y582K545-R549 WeakPolarHBondContact O-CB 3.33Å; K545-R549 PolarHBondContact O-N 2.92Å; K546-R549 PolarHBondContact O-N 2.84Å; R547-R549 VanDerWaalsContact C-N 3.31Å; R547-R549 PolarHBondContact O-N 3.38Å; R549-R553 PolarHBondContact O-NE 3.46Å; R549-R553 PolarHBondContact O-NH2 3.28Å; R549-Y582 HydrophobicContact CB-CE2 4.11Å; R549-Y582 PolarHBondContact NE-OH 3.41Å; R549-Y582 VanDerWaalsContact NE-OH 3.15Å; R549-Y582 PolarHBondContact NH2-OH 3.46Å
550K98.4Very high97.6Very high119 Ų11977.5 Ų77.552%0.51735%0.349SS..Hα-helixtrans-71.8-60.4166.2-173-176.7179.2-84.20108.7K546 R547 L548 L552 R553 E554K546-K550 PolarHBondContact O-N 3.34Å; R547-K550 WeakPolarHBondContact O-CA 3.26Å; R547-K550 WeakPolarHBondContact O-CB 3.42Å; R547-K550 PolarHBondContact O-N 2.82Å; L548-K550 VanDerWaalsContact C-N 3.27Å; L548-K550 PolarHBondContact O-N 3.04Å; K550-L552 PolarHBondContact O-N 3.22Å; K550-R553 PolarHBondContact O-N 3.09Å; K550-E554 IonicContact NZ-OE1 2.68Å; K550-E554 PolarHBondContact NZ-OE1 3.28Å; K550-E554 IonicContact NZ-OE2 3.19Å; K550-E554 PolarHBondContact NZ-OE2 2.99Å; K550-E554 WeakPolarHBondContact O-CB 3.43Å; K550-E554 PolarHBondContact O-N 3.14Å
551A97.8Very high97.7Very high29 Ų2980.3 Ų80.324%0.2436%0.36CS..Hα-helixtrans-51.5-48.5-176.400000113.4R547 L548 R553 E554 F555 M575R547-A551 PolarHBondContact O-N 2.83Å; L548-A551 PolarHBondContact O-N 3.39Å; A551-R553 VanDerWaalsContact C-N 3.34Å; A551-R553 PolarHBondContact O-N 3.33Å; A551-E554 PolarHBondContact O-N 3.24Å; A551-F555 WeakPolarHBondContact O-CB 3.32Å; A551-F555 PolarHBondContact O-N 3.41Å; A551-M575 HydrophobicContact CB-CE 4.39Å
552L97.6Very high97.6Very high10 Ų1087.6 Ų87.65%0.05239%0.393CS..Hα-helixtrans-64.4-34179.3-68.6176000113.5L548 K550 E556 M575 E578 Y579 Y582L548-L552 WeakPolarHBondContact O-CB 3.29Å; L548-L552 VanDerWaalsContact O-CG 3.3Å; L548-L552 WeakPolarHBondContact O-CG 3.49Å; L548-L552 PolarHBondContact O-N 2.84Å; K550-L552 PolarHBondContact O-N 3.22Å; L552-E556 WeakPolarHBondContact O-CB 3.48Å; L552-E556 VanDerWaalsContact O-CG 3.27Å; L552-E556 WeakPolarHBondContact O-CG 3.37Å; L552-E556 PolarHBondContact O-N 3.33Å; L552-M575 HydrophobicContact CD2-CB 4.22Å; L552-M575 HydrophobicContact CD2-CE 4.23Å; L552-E578 HydrophobicContact CD2-CB 3.61Å; L552-E578 HydrophobicContact CG-CB 4.09Å; L552-Y579 HydrophobicContact CD1-CD1 3.75Å; L552-Y579 HydrophobicContact CD1-CE1 3.95Å; L552-Y579 HydrophobicContact CD1-CG 4.37Å; L552-Y579 HydrophobicContact CD2-CD1 3.78Å; L552-Y579 HydrophobicContact CD2-CD2 3.75Å; L552-Y579 HydrophobicContact CD2-CE1 3.78Å; L552-Y579 HydrophobicContact CD2-CE2 3.75Å; L552-Y579 HydrophobicContact CD2-CG 3.76Å; L552-Y579 HydrophobicContact CG-CD1 4.37Å; L552-Y579 HydrophobicContact CG-CE1 4.31Å; L552-Y582 HydrophobicContact CD1-CD1 4.21Å; L552-Y582 HydrophobicContact CD1-CG 4.03Å
553R97.6Very high97.5Very high145 Ų14584.2 Ų84.255%0.54739%0.388SS..Hα-helixtrans-79-36.1175.8-77.6-176.7-63.6162.78.2112.3R549 K550 A551 F555 E556 E557R549-R553 PolarHBondContact O-NE 3.46Å; R549-R553 PolarHBondContact O-NH2 3.28Å; K550-R553 PolarHBondContact O-N 3.09Å; A551-R553 VanDerWaalsContact C-N 3.34Å; A551-R553 PolarHBondContact O-N 3.33Å; R553-F555 VanDerWaalsContact C-N 3.32Å; R553-E556 PolarHBondContact O-N 2.81Å; R553-E557 WeakPolarHBondContact O-CB 3.45Å; R553-E557 PolarHBondContact O-N 3.4Å
554E97.8Very high97.3Very high75 Ų7584.2 Ų84.235%0.3539%0.394SS..Hα-helixtrans-63.7-40.8175.4-176.1161.4-14700110.4K550 A551 Q558K550-E554 IonicContact NZ-OE1 2.68Å; K550-E554 PolarHBondContact NZ-OE1 3.28Å; K550-E554 IonicContact NZ-OE2 3.19Å; K550-E554 PolarHBondContact NZ-OE2 2.99Å; K550-E554 WeakPolarHBondContact O-CB 3.43Å; K550-E554 PolarHBondContact O-N 3.14Å; A551-E554 PolarHBondContact O-N 3.24Å; E554-Q558 VanDerWaalsContact O-CB 3.27Å; E554-Q558 WeakPolarHBondContact O-CB 3.47Å; E554-Q558 WeakPolarHBondContact O-CG 3.46Å; E554-Q558 PolarHBondContact O-N 2.95Å
555F97.6Very high97.2Very high29 Ų2987.6 Ų87.613%0.12740%0.403CS..Hα-helixtrans-61.7-52.3166.4171.2-99.4000112.8A551 R553 E557 Q558 F559 P567 D571 M575A551-F555 WeakPolarHBondContact O-CB 3.32Å; A551-F555 PolarHBondContact O-N 3.41Å; R553-F555 VanDerWaalsContact C-N 3.32Å; F555-E557 PolarHBondContact O-N 2.99Å; F555-Q558 PolarHBondContact O-N 2.99Å; F555-F559 HydrophobicContact CE2-CB 4.48Å; F555-F559 HydrophobicContact CE2-CD2 4.46Å; F555-F559 HydrophobicContact CZ-CB 4.32Å; F555-F559 HydrophobicContact CZ-CD2 4.11Å; F555-F559 HydrophobicContact CZ-CG 4.41Å; F555-F559 WeakPolarHBondContact O-CB 3.44Å; F555-F559 PolarHBondContact O-N 2.94Å; F555-P567 HydrophobicContact CD1-CG 4.34Å; F555-P567 HydrophobicContact CE1-CB 3.95Å; F555-P567 HydrophobicContact CE1-CG 3.67Å; F555-P567 HydrophobicContact CZ-CG 4.35Å; F555-D571 VanDerWaalsContact CZ-O 3.3Å; F555-D571 WeakPolarHBondContact CZ-O 3.49Å; F555-M575 HydrophobicContact CB-CE 4.2Å; F555-M575 HydrophobicContact CB-CG 3.83Å; F555-M575 HydrophobicContact CB-SD 3.96Å; F555-M575 HydrophobicContact CD1-CB 4.46Å; F555-M575 HydrophobicContact CD1-CG 3.62Å; F555-M575 HydrophobicContact CD2-CG 3.43Å; F555-M575 VanDerWaalsContact CD2-CG 3.43Å; F555-M575 HydrophobicContact CD2-SD 3.92Å; F555-M575 HydrophobicContact CE1-CG 4.04Å; F555-M575 HydrophobicContact CE2-CG 3.87Å; F555-M575 HydrophobicContact CG-CG 3.3Å; F555-M575 HydrophobicContact CG-SD 3.98Å; F555-M575 HydrophobicContact CZ-CG 4.17Å
556E96.3Very high97.1Very high70 Ų7089 Ų8933%0.32742%0.42SS..Hα-helixtrans-57.4-34.9179.5-78.3172.2172.800111.9L552 R553 F560 P567 R572 Y579L552-E556 WeakPolarHBondContact O-CB 3.48Å; L552-E556 VanDerWaalsContact O-CG 3.27Å; L552-E556 WeakPolarHBondContact O-CG 3.37Å; L552-E556 PolarHBondContact O-N 3.33Å; R553-E556 PolarHBondContact O-N 2.81Å; E556-F560 VanDerWaalsContact O-CB 3.29Å; E556-F560 WeakPolarHBondContact O-CB 3.35Å; E556-F560 PolarHBondContact O-N 2.87Å; E556-F560 VanDerWaalsContact O-N 3.1Å; E556-P567 HydrophobicContact CG-CG 4.05Å; E556-R572 IonicContact OE1-NH1 3.51Å; E556-R572 PolarHBondContact OE1-NH1 2.87Å; E556-Y579 PolarHBondContact OE1-OH 3.22Å
557E97.8Very high96.9Very high107 Ų10781.5 Ų81.550%0.539%0.388SS..Hα-helixtrans-75.6-47.6176.4-172.5-173.8150.600112.9R553 F555 F559 F560 K561R553-E557 WeakPolarHBondContact O-CB 3.45Å; R553-E557 PolarHBondContact O-N 3.4Å; F555-E557 PolarHBondContact O-N 2.99Å; E557-F559 VanDerWaalsContact C-N 3.3Å; E557-F559 PolarHBondContact O-N 3.26Å; E557-F560 PolarHBondContact O-N 3.12Å; E557-K561 HydrophobicContact CG-CD 4.25Å; E557-K561 WeakPolarHBondContact O-CB 3.49Å; E557-K561 VanDerWaalsContact O-CG 3.31Å; E557-K561 WeakPolarHBondContact O-CG 3.45Å; E557-K561 PolarHBondContact O-N 2.95Å; E557-K561 VanDerWaalsContact OE1-CE 3.31Å; E557-K561 WeakPolarHBondContact OE1-CE 3.3Å; E557-K561 IonicContact OE1-NZ 3.38Å; E557-K561 PolarHBondContact OE1-NZ 2.68Å
558Q97.2Very high96.7Very high99 Ų9980.6 Ų80.646%0.46339%0.39SS..Hα-helixtrans-61-40.2175.7-76173.311.300111.5E554 F555 K561 Q562E554-Q558 VanDerWaalsContact O-CB 3.27Å; E554-Q558 WeakPolarHBondContact O-CB 3.47Å; E554-Q558 WeakPolarHBondContact O-CG 3.46Å; E554-Q558 PolarHBondContact O-N 2.95Å; F555-Q558 PolarHBondContact O-N 2.99Å; Q558-K561 PolarHBondContact O-N 2.95Å; Q558-Q562 WeakPolarHBondContact O-CG 3.47Å; Q558-Q562 PolarHBondContact O-N 3.32Å; Q558-Q562 VanDerWaalsContact O-N 3.12Å; Q558-Q562 PolarHBondContact O-NE2 3.26Å
559F97.3Very high96.5Very high26 Ų2688.2 Ų88.211%0.11442%0.423CS..Hα-helixtrans-66.7-43.5176.5-175.2-86.7000111.6F555 E557 Q562 T563 R565 P567 D571F555-F559 HydrophobicContact CE2-CB 4.48Å; F555-F559 HydrophobicContact CE2-CD2 4.46Å; F555-F559 HydrophobicContact CZ-CB 4.32Å; F555-F559 HydrophobicContact CZ-CD2 4.11Å; F555-F559 HydrophobicContact CZ-CG 4.41Å; F555-F559 WeakPolarHBondContact O-CB 3.44Å; F555-F559 PolarHBondContact O-N 2.94Å; E557-F559 VanDerWaalsContact C-N 3.3Å; E557-F559 PolarHBondContact O-N 3.26Å; F559-Q562 PolarHBondContact O-N 3.45Å; F559-T563 HydrophobicContact CD1-CG2 4.48Å; F559-T563 WeakPolarHBondContact CD1-OG1 3.41Å; F559-T563 HydrophobicContact CD2-CG2 4.38Å; F559-T563 HydrophobicContact CE1-CG2 4.11Å; F559-T563 WeakPolarHBondContact CE1-OG1 3.34Å; F559-T563 HydrophobicContact CE2-CG2 3.97Å; F559-T563 HydrophobicContact CZ-CG2 3.82Å; F559-T563 PolarHBondContact O-N 2.91Å; F559-T563 PolarHBondContact O-OG1 3.47Å; F559-R565 WeakPolarHBondContact CD1-O 3.47Å; F559-R565 HydrophobicContact CE1-CG 4.17Å; F559-R565 WeakPolarHBondContact CE1-O 3.49Å; F559-P567 HydrophobicContact CB-CG 4Å; F559-P567 HydrophobicContact CD1-CB 4.13Å; F559-P567 HydrophobicContact CD1-CG 3.53Å; F559-P567 HydrophobicContact CE1-CB 4.29Å; F559-P567 HydrophobicContact CE1-CG 4.16Å; F559-P567 HydrophobicContact CG-CB 4.45Å; F559-P567 HydrophobicContact CG-CG 3.78Å; F559-D571 HydrophobicContact CD2-CB 4.41Å; F559-D571 HydrophobicContact CE1-CB 4.41Å; F559-D571 HydrophobicContact CE2-CB 3.61Å; F559-D571 HydrophobicContact CZ-CB 3.61Å; F559-D571 VanDerWaalsContact CZ-OD1 3.31Å; F559-D571 WeakPolarHBondContact CZ-OD1 3.34Å
560F96.8Very high96.3Very high114 Ų11488 Ų8850%0.543%0.427SS..Hα-helixtrans-63.3-41.6175.7-178.7-101.7000112.1E556 E557 Q562 G564E556-F560 VanDerWaalsContact O-CB 3.29Å; E556-F560 WeakPolarHBondContact O-CB 3.35Å; E556-F560 PolarHBondContact O-N 2.87Å; E556-F560 VanDerWaalsContact O-N 3.1Å; E557-F560 PolarHBondContact O-N 3.12Å; F560-Q562 VanDerWaalsContact C-N 3.31Å; F560-Q562 PolarHBondContact O-N 3.38Å; F560-G564 WeakPolarHBondContact CE2-O 3.43Å; F560-G564 WeakPolarHBondContact O-CA 3.26Å; F560-G564 PolarHBondContact O-N 2.91Å
561K97.4Very high96Very high148 Ų14884 Ų8464%0.64341%0.411SS*.Hα-helixtrans-60.5-36.8174.8-76.6169172.61730113.1E557 Q558E557-K561 HydrophobicContact CG-CD 4.25Å; E557-K561 WeakPolarHBondContact O-CB 3.49Å; E557-K561 VanDerWaalsContact O-CG 3.31Å; E557-K561 WeakPolarHBondContact O-CG 3.45Å; E557-K561 PolarHBondContact O-N 2.95Å; E557-K561 VanDerWaalsContact OE1-CE 3.31Å; E557-K561 WeakPolarHBondContact OE1-CE 3.3Å; E557-K561 IonicContact OE1-NZ 3.38Å; E557-K561 PolarHBondContact OE1-NZ 2.68Å; Q558-K561 PolarHBondContact O-N 2.95Å
562Q96.4Very high95.9Very high155 Ų15586.4 Ų86.472%0.72441%0.414SS*.Hα-helixtrans-82.7-34.9-179.3-74.5170.486.900113.9Q558 F559 F560Q558-Q562 WeakPolarHBondContact O-CG 3.47Å; Q558-Q562 PolarHBondContact O-N 3.32Å; Q558-Q562 VanDerWaalsContact O-N 3.12Å; Q558-Q562 PolarHBondContact O-NE2 3.26Å; F559-Q562 PolarHBondContact O-N 3.45Å; F560-Q562 VanDerWaalsContact C-N 3.31Å; F560-Q562 PolarHBondContact O-N 3.38Å
563T94.1Very high95.7Very high62 Ų6291.8 Ų91.838%0.3844%0.441SS..Hα-helixtrans-115.2-8.4-16967.10000114.8F559 R565F559-T563 HydrophobicContact CD1-CG2 4.48Å; F559-T563 WeakPolarHBondContact CD1-OG1 3.41Å; F559-T563 HydrophobicContact CD2-CG2 4.38Å; F559-T563 HydrophobicContact CE1-CG2 4.11Å; F559-T563 WeakPolarHBondContact CE1-OG1 3.34Å; F559-T563 HydrophobicContact CE2-CG2 3.97Å; F559-T563 HydrophobicContact CZ-CG2 3.82Å; F559-T563 PolarHBondContact O-N 2.91Å; F559-T563 PolarHBondContact O-OG1 3.47Å; T563-R565 PolarHBondContact O-N 3.19Å; T563-R565 VanDerWaalsContact O-N 3.14Å; T563-R565 WeakPolarHBondContact OG1-CG 3.36Å; T563-R565 PolarHBondContact OG1-N 3.45Å; T563-R565 PolarHBondContact OG1-O 3.26Å
564G95.8Very high95.5Very high59 Ų5989.8 Ų89.861%0.60845%0.447SS*.SBendtrans67.44.1-175.100000115F560F560-G564 WeakPolarHBondContact CE2-O 3.43Å; F560-G564 WeakPolarHBondContact O-CA 3.26Å; F560-G564 PolarHBondContact O-N 2.91Å
565R95.3Very high95.5Very high112 Ų11287.5 Ų87.542%0.42344%0.437SS..SBendtrans-133.7158.9-176.763.8175.9-173.983.6-3.3111.5F559 T563 D571F559-R565 WeakPolarHBondContact CD1-O 3.47Å; F559-R565 HydrophobicContact CE1-CG 4.17Å; F559-R565 WeakPolarHBondContact CE1-O 3.49Å; T563-R565 PolarHBondContact O-N 3.19Å; T563-R565 VanDerWaalsContact O-N 3.14Å; T563-R565 WeakPolarHBondContact OG1-CG 3.36Å; T563-R565 PolarHBondContact OG1-N 3.45Å; T563-R565 PolarHBondContact OG1-O 3.26Å; R565-D571 IonicContact CZ-OD1 2.76Å; R565-D571 IonicContact CZ-OD2 3.58Å; R565-D571 IonicContact NH1-OD1 3.84Å; R565-D571 IonicContact NH1-OD2 3.17Å; R565-D571 PolarHBondContact NH1-OD2 3.01Å; R565-D571 IonicContact NH2-OD1 2.72Å; R565-D571 PolarHBondContact NH2-OD1 3.01Å; R565-D571 IonicContact NH2-OD2 3.73Å; R565-D571 PolarHBondContact NH2-OD2 2.92Å
566S95.1Very high95.4Very high87 Ų8787.6 Ų87.661%0.60844%0.443SS*.  trans-73.6153.5173.9-49.40000111.7Q568S566-Q568 PolarHBondContact O-N 2.91Å
567P94.9Very high95.4Very high8 Ų889.9 Ų89.95%0.05246%0.458CS..  trans-61127.6174.7-2231.6000112.3F555 E556 F559 D571 R572F555-P567 HydrophobicContact CD1-CG 4.34Å; F555-P567 HydrophobicContact CE1-CB 3.95Å; F555-P567 HydrophobicContact CE1-CG 3.67Å; F555-P567 HydrophobicContact CZ-CG 4.35Å; E556-P567 HydrophobicContact CG-CG 4.05Å; F559-P567 HydrophobicContact CB-CG 4Å; F559-P567 HydrophobicContact CD1-CB 4.13Å; F559-P567 HydrophobicContact CD1-CG 3.53Å; F559-P567 HydrophobicContact CE1-CB 4.29Å; F559-P567 HydrophobicContact CE1-CG 4.16Å; F559-P567 HydrophobicContact CG-CB 4.45Å; F559-P567 HydrophobicContact CG-CG 3.78Å; P567-D571 HydrophobicContact CB-CB 4.05Å; P567-R572 HydrophobicContact CB-CG 3.92Å; P567-R572 PolarHBondContact O-NE 3.47Å; P567-R572 PolarHBondContact O-NH2 3.44Å
568Q94.2Very high95.4Very high124 Ų12487.8 Ų87.858%0.57945%0.448SS*.  trans-76.3-156.8168.3-149.8173.9-97.400109.8S566 E570 D571 R572S566-Q568 PolarHBondContact O-N 2.91Å; Q568-E570 WeakPolarHBondContact CB-OE2 3.4Å; Q568-E570 VanDerWaalsContact CG-OE2 3.3Å; Q568-E570 WeakPolarHBondContact CG-OE2 3.49Å; Q568-E570 PolarHBondContact NE2-OE2 3.5Å; Q568-D571 WeakPolarHBondContact CA-OD2 3.45Å; Q568-D571 WeakPolarHBondContact CB-OD2 3.44Å; Q568-D571 PolarHBondContact N-OD2 2.89Å; Q568-R572 WeakPolarHBondContact O-CD 3.33Å; Q568-R572 WeakPolarHBondContact O-CG 3.28Å; Q568-R572 PolarHBondContact O-NE 2.94Å
569K92.7Very high95.4Very high166 Ų16685.8 Ų85.872%0.72244%0.436SS*.SBendtrans-82.9-37.1179.1-59.1172.4-176.7168.60111.1R572K569-R572 PolarHBondContact O-N 3.12Å
570E93.4Very high95.4Very high103 Ų10391.7 Ų91.748%0.48146%0.459SS..G310 helixtrans-70.2-42.6-175.4-57.868.4-150.400109.2Q568 R572 I573Q568-E570 WeakPolarHBondContact CB-OE2 3.4Å; Q568-E570 VanDerWaalsContact CG-OE2 3.3Å; Q568-E570 WeakPolarHBondContact CG-OE2 3.49Å; Q568-E570 PolarHBondContact NE2-OE2 3.5Å; E570-R572 PolarHBondContact O-N 2.91Å; E570-I573 WeakPolarHBondContact O-CD1 3.25Å; E570-I573 VanDerWaalsContact O-CG1 3.27Å; E570-I573 WeakPolarHBondContact O-CG1 3.15Å; E570-I573 PolarHBondContact O-N 3.45Å
571D94Very high95.4Very high35 Ų3590.4 Ų90.419%0.18745%0.454CS..G310 helixtrans-63.3-20.2174.5-51-66.2000113.6F555 F559 R565 P567 Q568 P574F555-D571 VanDerWaalsContact CZ-O 3.3Å; F555-D571 WeakPolarHBondContact CZ-O 3.49Å; F559-D571 HydrophobicContact CD2-CB 4.41Å; F559-D571 HydrophobicContact CE1-CB 4.41Å; F559-D571 HydrophobicContact CE2-CB 3.61Å; F559-D571 HydrophobicContact CZ-CB 3.61Å; F559-D571 VanDerWaalsContact CZ-OD1 3.31Å; F559-D571 WeakPolarHBondContact CZ-OD1 3.34Å; R565-D571 IonicContact CZ-OD1 2.76Å; R565-D571 IonicContact CZ-OD2 3.58Å; R565-D571 IonicContact NH1-OD1 3.84Å; R565-D571 IonicContact NH1-OD2 3.17Å; R565-D571 PolarHBondContact NH1-OD2 3.01Å; R565-D571 IonicContact NH2-OD1 2.72Å; R565-D571 PolarHBondContact NH2-OD1 3.01Å; R565-D571 IonicContact NH2-OD2 3.73Å; R565-D571 PolarHBondContact NH2-OD2 2.92Å; P567-D571 HydrophobicContact CB-CB 4.05Å; Q568-D571 WeakPolarHBondContact CA-OD2 3.45Å; Q568-D571 WeakPolarHBondContact CB-OD2 3.44Å; Q568-D571 PolarHBondContact N-OD2 2.89Å; D571-P574 WeakPolarHBondContact O-CD 3.35Å
572R93.8Very high95.4Very high81 Ų8186 Ų8631%0.30643%0.434SS..G310 helixtrans-86.4-5.2-177.6-67.8169-159.3-110.2-2.6113.7E556 P567 Q568 K569 E570 P574 M575 A576 Y579E556-R572 IonicContact OE1-NH1 3.51Å; E556-R572 PolarHBondContact OE1-NH1 2.87Å; P567-R572 HydrophobicContact CB-CG 3.92Å; P567-R572 PolarHBondContact O-NE 3.47Å; P567-R572 PolarHBondContact O-NH2 3.44Å; Q568-R572 WeakPolarHBondContact O-CD 3.33Å; Q568-R572 WeakPolarHBondContact O-CG 3.28Å; Q568-R572 PolarHBondContact O-NE 2.94Å; K569-R572 PolarHBondContact O-N 3.12Å; E570-R572 PolarHBondContact O-N 2.91Å; R572-P574 VanDerWaalsContact C-CD 3.45Å; R572-P574 VanDerWaalsContact C-N 3.32Å; R572-M575 CarbonylContact O-C 3.58Å; R572-M575 PolarHBondContact O-N 3.23Å; R572-A576 PolarHBondContact O-N 3.22Å; R572-Y579 HydrophobicContact CB-CD2 4.29Å; R572-Y579 HydrophobicContact CB-CE2 3.86Å; R572-Y579 HydrophobicContact CG-CE2 3.74Å; R572-Y579 PolarHBondContact NH1-OH 3.17Å
573I94.3Very high95.4Very high122 Ų12285.8 Ų85.863%0.62643%0.431SS*.G310 helixtrans-54.5-40.9-179.8-66.1169.1000112.3E570 M575 A576E570-I573 WeakPolarHBondContact O-CD1 3.25Å; E570-I573 VanDerWaalsContact O-CG1 3.27Å; E570-I573 WeakPolarHBondContact O-CG1 3.15Å; E570-I573 PolarHBondContact O-N 3.45Å; I573-M575 PolarHBondContact O-N 2.68Å; I573-M575 VanDerWaalsContact O-N 3.15Å; I573-A576 VanDerWaalsContact O-CB 3.29Å; I573-A576 WeakPolarHBondContact O-CB 3.3Å; I573-A576 PolarHBondContact O-N 3.25Å; I573-A576 VanDerWaalsContact O-N 3.17Å
574P94.5Very high95.5Very high103 Ų10386.9 Ų86.967%0.66943%0.431SS*.G310 helixtrans-65.5-13176.2-22.435.2000115.8D571 R572D571-P574 WeakPolarHBondContact O-CD 3.35Å; R572-P574 VanDerWaalsContact C-CD 3.45Å; R572-P574 VanDerWaalsContact C-N 3.32Å
575M96.2Very high95.6Very high27 Ų2784.6 Ų84.613%0.13341%0.405CS..G310 helixtrans-118.418.7177.3-60-60.5-57.100111.8A551 L552 F555 R572 I573 D577 E578 Y579A551-M575 HydrophobicContact CB-CE 4.39Å; L552-M575 HydrophobicContact CD2-CB 4.22Å; L552-M575 HydrophobicContact CD2-CE 4.23Å; F555-M575 HydrophobicContact CB-CE 4.2Å; F555-M575 HydrophobicContact CB-CG 3.83Å; F555-M575 HydrophobicContact CB-SD 3.96Å; F555-M575 HydrophobicContact CD1-CB 4.46Å; F555-M575 HydrophobicContact CD1-CG 3.62Å; F555-M575 HydrophobicContact CD2-CG 3.43Å; F555-M575 VanDerWaalsContact CD2-CG 3.43Å; F555-M575 HydrophobicContact CD2-SD 3.92Å; F555-M575 HydrophobicContact CE1-CG 4.04Å; F555-M575 HydrophobicContact CE2-CG 3.87Å; F555-M575 HydrophobicContact CG-CG 3.3Å; F555-M575 HydrophobicContact CG-SD 3.98Å; F555-M575 HydrophobicContact CZ-CG 4.17Å; R572-M575 CarbonylContact O-C 3.58Å; R572-M575 PolarHBondContact O-N 3.23Å; I573-M575 PolarHBondContact O-N 2.68Å; I573-M575 VanDerWaalsContact O-N 3.15Å; M575-D577 PolarHBondContact O-N 3.49Å; M575-E578 WeakPolarHBondContact CA-OE2 3.33Å; M575-E578 HydrophobicContact CE-CB 4.01Å; M575-E578 HydrophobicContact CE-CG 3.71Å; M575-E578 PolarHBondContact O-N 2.8Å; M575-Y579 HydrophobicContact CB-CD2 4.08Å; M575-Y579 HydrophobicContact CB-CE2 4.07Å; M575-Y579 WeakPolarHBondContact O-CD2 3.41Å; M575-Y579 PolarHBondContact O-N 2.99Å; M575-Y579 VanDerWaalsContact O-N 3.1Å
576A95.8Very high95.7Very high31 Ų3184.3 Ų84.326%0.25641%0.407SS..Hα-helixtrans-57.3-42.7-172.900000111.1R572 I573 Y579 Y580R572-A576 PolarHBondContact O-N 3.22Å; I573-A576 VanDerWaalsContact O-CB 3.29Å; I573-A576 WeakPolarHBondContact O-CB 3.3Å; I573-A576 PolarHBondContact O-N 3.25Å; I573-A576 VanDerWaalsContact O-N 3.17Å; A576-Y579 PolarHBondContact O-N 3.07Å; A576-Y580 HydrophobicContact CB-CD2 4.45Å; A576-Y580 HydrophobicContact CB-CE2 4.28Å; A576-Y580 WeakPolarHBondContact O-CD2 3.34Å; A576-Y580 PolarHBondContact O-N 2.81Å
577D97Very high95.8Very high119 Ų11982.5 Ų82.564%0.63640%0.398SS*.Hα-helixtrans-69.1-41.7-176.9-63.2-21.4000111.6M575 Y579 Y580 E581M575-D577 PolarHBondContact O-N 3.49Å; D577-Y579 VanDerWaalsContact C-N 3.29Å; D577-Y579 PolarHBondContact O-N 3.08Å; D577-Y580 PolarHBondContact O-N 3.01Å; D577-Y580 VanDerWaalsContact O-N 3.15Å; D577-E581 WeakPolarHBondContact O-CB 3.07Å; D577-E581 PolarHBondContact O-N 2.92Å
578E97.4Very high95.8Very high62 Ų6283.6 Ų83.629%0.2940%0.401SS..Hα-helixtrans-63.5-33.2172.6-68.680.9179.500112.7L548 L552 M575 Y582L548-E578 HydrophobicContact CD2-CB 3.95Å; L548-E578 HydrophobicContact CD2-CG 3.77Å; L552-E578 HydrophobicContact CD2-CB 3.61Å; L552-E578 HydrophobicContact CG-CB 4.09Å; M575-E578 WeakPolarHBondContact CA-OE2 3.33Å; M575-E578 HydrophobicContact CE-CB 4.01Å; M575-E578 HydrophobicContact CE-CG 3.71Å; M575-E578 PolarHBondContact O-N 2.8Å; E578-Y582 WeakPolarHBondContact O-CB 3.33Å; E578-Y582 PolarHBondContact O-N 2.67Å
579Y96.9Very high96Very high57 Ų5777.9 Ų77.922%0.22438%0.375CS..Hα-helixtrans-71.4-36.9173-80.2-64.5000112.2L552 E556 R572 M575 A576 D577 K583L552-Y579 HydrophobicContact CD1-CD1 3.75Å; L552-Y579 HydrophobicContact CD1-CE1 3.95Å; L552-Y579 HydrophobicContact CD1-CG 4.37Å; L552-Y579 HydrophobicContact CD2-CD1 3.78Å; L552-Y579 HydrophobicContact CD2-CD2 3.75Å; L552-Y579 HydrophobicContact CD2-CE1 3.78Å; L552-Y579 HydrophobicContact CD2-CE2 3.75Å; L552-Y579 HydrophobicContact CD2-CG 3.76Å; L552-Y579 HydrophobicContact CG-CD1 4.37Å; L552-Y579 HydrophobicContact CG-CE1 4.31Å; E556-Y579 PolarHBondContact OE1-OH 3.22Å; R572-Y579 HydrophobicContact CB-CD2 4.29Å; R572-Y579 HydrophobicContact CB-CE2 3.86Å; R572-Y579 HydrophobicContact CG-CE2 3.74Å; R572-Y579 PolarHBondContact NH1-OH 3.17Å; M575-Y579 HydrophobicContact CB-CD2 4.08Å; M575-Y579 HydrophobicContact CB-CE2 4.07Å; M575-Y579 WeakPolarHBondContact O-CD2 3.41Å; M575-Y579 PolarHBondContact O-N 2.99Å; M575-Y579 VanDerWaalsContact O-N 3.1Å; A576-Y579 PolarHBondContact O-N 3.07Å; D577-Y579 VanDerWaalsContact C-N 3.29Å; D577-Y579 PolarHBondContact O-N 3.08Å; Y579-K583 WeakPolarHBondContact O-CB 3.24Å; Y579-K583 PolarHBondContact O-N 3.1Å
580Y97.1Very high96.2Very high150 Ų15077.7 Ų77.759%0.58837%0.369SS*.Hα-helixtrans-66.9-46.5172.8-76.7-60000111.4A576 D577 K583 H584A576-Y580 HydrophobicContact CB-CD2 4.45Å; A576-Y580 HydrophobicContact CB-CE2 4.28Å; A576-Y580 WeakPolarHBondContact O-CD2 3.34Å; A576-Y580 PolarHBondContact O-N 2.81Å; D577-Y580 PolarHBondContact O-N 3.01Å; D577-Y580 VanDerWaalsContact O-N 3.15Å; Y580-K583 CarbonylContact O-C 3.53Å; Y580-K583 WeakPolarHBondContact O-CA 3.36Å; Y580-K583 WeakPolarHBondContact O-CB 3.46Å; Y580-K583 PolarHBondContact O-N 3.09Å; Y580-H584 PolarHBondContact O-N 2.94Å
581E96.7Very high96.3Very high87 Ų8775.6 Ų75.641%0.40736%0.361SS..Hα-helixtrans-66.4-41.8178.2-76.7-51.611300112L548 D577 K583 H584 I585L548-E581 HydrophobicContact CD1-CB 3.7Å; D577-E581 WeakPolarHBondContact O-CB 3.07Å; D577-E581 PolarHBondContact O-N 2.92Å; E581-K583 PolarHBondContact O-N 3.33Å; E581-H584 CarbonylContact O-C 3.56Å; E581-H584 PolarHBondContact O-N 2.71Å; E581-I585 VanDerWaalsContact O-CB 3.31Å; E581-I585 WeakPolarHBondContact O-CB 3.46Å; E581-I585 PolarHBondContact O-N 2.99Å
582Y97.8Very high96.4Very high56 Ų5674 Ų7422%0.2235%0.352CS..Hα-helixtrans-63-29.1175.4-178-108.9000112.2K545 L548 R549 L552 E578 K586K545-Y582 HydrophobicContact CG-CE2 3.93Å; L548-Y582 HydrophobicContact CB-CD2 4.15Å; R549-Y582 HydrophobicContact CB-CE2 4.11Å; R549-Y582 PolarHBondContact NE-OH 3.41Å; R549-Y582 VanDerWaalsContact NE-OH 3.15Å; R549-Y582 PolarHBondContact NH2-OH 3.46Å; L552-Y582 HydrophobicContact CD1-CD1 4.21Å; L552-Y582 HydrophobicContact CD1-CG 4.03Å; E578-Y582 WeakPolarHBondContact O-CB 3.33Å; E578-Y582 PolarHBondContact O-N 2.67Å; Y582-K586 WeakPolarHBondContact O-CB 3.5Å; Y582-K586 PolarHBondContact O-N 3.17Å
583K97.2Very high96.5Very high150 Ų15073.6 Ų73.665%0.65235%0.354SS*.Hα-helixtrans-74.1-41.8170.6174.4-167.1172.4-161.80111.5Y579 Y580 E581 K586 A587Y579-K583 WeakPolarHBondContact O-CB 3.24Å; Y579-K583 PolarHBondContact O-N 3.1Å; Y580-K583 CarbonylContact O-C 3.53Å; Y580-K583 WeakPolarHBondContact O-CA 3.36Å; Y580-K583 WeakPolarHBondContact O-CB 3.46Å; Y580-K583 PolarHBondContact O-N 3.09Å; E581-K583 PolarHBondContact O-N 3.33Å; K583-K586 PolarHBondContact O-N 2.9Å; K583-A587 PolarHBondContact O-N 2.9Å
584H96.6Very high96.5Very high85 Ų8571.5 Ų71.539%0.39435%0.347SS..Hα-helixtrans-65.3-53.4178.3-169.3105.7000111.8M523 Y580 E581 K586 A587 K588M523-H584 WeakPolarHBondContact CG-NE2 3.49Å; Y580-H584 PolarHBondContact O-N 2.94Å; E581-H584 CarbonylContact O-C 3.56Å; E581-H584 PolarHBondContact O-N 2.71Å; H584-K586 PolarHBondContact O-N 3.42Å; H584-A587 CarbonylContact O-C 3.57Å; H584-A587 VanDerWaalsContact O-CA 3.31Å; H584-A587 WeakPolarHBondContact O-CA 3.37Å; H584-A587 VanDerWaalsContact O-CB 3.29Å; H584-A587 WeakPolarHBondContact O-CB 3.41Å; H584-A587 PolarHBondContact O-N 2.91Å; H584-K588 PolarHBondContact O-N 3.01Å
585I97.1Very high96.5Very high12 Ų1267.6 Ų67.66%0.06232%0.321CS..Hα-helixtrans-57.1-34.3175-82.9154000112.2T541 D544 K545 L548 E581 A587 K588 L589T541-I585 HydrophobicContact CG2-CB 4.38Å; T541-I585 HydrophobicContact CG2-CG1 4.36Å; T541-I585 HydrophobicContact CG2-CG2 3.87Å; D544-I585 HydrophobicContact CB-CD1 3.81Å; K545-I585 HydrophobicContact CB-CG2 3.7Å; L548-I585 HydrophobicContact CD1-CD1 3.45Å; L548-I585 VanDerWaalsContact CD1-CD1 3.45Å; E581-I585 VanDerWaalsContact O-CB 3.31Å; E581-I585 WeakPolarHBondContact O-CB 3.46Å; E581-I585 PolarHBondContact O-N 2.99Å; I585-A587 VanDerWaalsContact C-N 3.27Å; I585-A587 PolarHBondContact O-N 3.36Å; I585-K588 PolarHBondContact O-N 3.34Å; I585-L589 WeakPolarHBondContact O-CG 3.41Å; I585-L589 PolarHBondContact O-N 3.11Å
586K97.4Very high96.4Very high106 Ų10667.1 Ų67.146%0.46132%0.318SS..Hα-helixtrans-68.9-22.6172.6-175.2177.3177.5-175.90113.2Y582 K583 H584 R590Y582-K586 WeakPolarHBondContact O-CB 3.5Å; Y582-K586 PolarHBondContact O-N 3.17Å; K583-K586 PolarHBondContact O-N 2.9Å; H584-K586 PolarHBondContact O-N 3.42Å; K586-R590 WeakPolarHBondContact O-CD 3.38Å; K586-R590 WeakPolarHBondContact O-CG 3.41Å
587A96.9Very high96.3Very high49 Ų4969.1 Ų69.141%0.40533%0.33SS..Hα-helixtrans-82.6-45.1167.400000111.6K583 H584 I585 L589 R590 L591K583-A587 PolarHBondContact O-N 2.9Å; H584-A587 CarbonylContact O-C 3.57Å; H584-A587 VanDerWaalsContact O-CA 3.31Å; H584-A587 WeakPolarHBondContact O-CA 3.37Å; H584-A587 VanDerWaalsContact O-CB 3.29Å; H584-A587 WeakPolarHBondContact O-CB 3.41Å; H584-A587 PolarHBondContact O-N 2.91Å; I585-A587 VanDerWaalsContact C-N 3.27Å; I585-A587 PolarHBondContact O-N 3.36Å; A587-L589 VanDerWaalsContact C-N 3.3Å; A587-L589 PolarHBondContact O-N 3.16Å; A587-R590 PolarHBondContact O-N 3.17Å; A587-L591 PolarHBondContact O-N 3.13Å
588K95.9Very high96Very high31 Ų3170.1 Ų70.114%0.13533%0.329CS..Hα-helixtrans-52.4-45.4175.5-172.3166.5177.5173.30111.8M523 L526 T541 H584 I585 R590 L591 L592M523-K588 HydrophobicContact CE-CB 4.33Å; M523-K588 HydrophobicContact SD-CB 3.54Å; M523-K588 VanDerWaalsContact SD-CB 3.54Å; M523-K588 HydrophobicContact SD-CD 4.03Å; M523-K588 HydrophobicContact SD-CG 3.61Å; L526-K588 HydrophobicContact CD1-CD 4.4Å; L526-K588 HydrophobicContact CD1-CG 3.97Å; T541-K588 HydrophobicContact CG2-CB 3.88Å; T541-K588 HydrophobicContact CG2-CD 4.08Å; T541-K588 HydrophobicContact CG2-CG 3.83Å; T541-K588 WeakPolarHBondContact OG1-CE 3.36Å; H584-K588 PolarHBondContact O-N 3.01Å; I585-K588 PolarHBondContact O-N 3.34Å; K588-R590 PolarHBondContact O-N 3.32Å; K588-L591 PolarHBondContact O-N 3.15Å; K588-L592 HydrophobicContact CG-CD1 3.95Å; K588-L592 VanDerWaalsContact O-CG 3.3Å; K588-L592 WeakPolarHBondContact O-CG 3.11Å; K588-L592 PolarHBondContact O-N 3.17Å
589L96.9Very high95.4Very high3 Ų369.8 Ų69.82%0.01633%0.327CS..Hα-helixtrans-59-43.9174.2-75.4-175.9000114.1L538 T541 R542 K545 I585 A587 L591 L592 E593L538-L589 HydrophobicContact CD1-CD2 3.81Å; T541-L589 HydrophobicContact CG2-CD2 3.53Å; T541-L589 HydrophobicContact CG2-CG 3.66Å; R542-L589 HydrophobicContact CG-CD1 4.41Å; R542-L589 HydrophobicContact CG-CD2 3.76Å; K545-L589 HydrophobicContact CB-CD1 4.49Å; K545-L589 HydrophobicContact CD-CD1 3.21Å; K545-L589 HydrophobicContact CG-CD1 4.5Å; I585-L589 WeakPolarHBondContact O-CG 3.41Å; I585-L589 PolarHBondContact O-N 3.11Å; A587-L589 VanDerWaalsContact C-N 3.3Å; A587-L589 PolarHBondContact O-N 3.16Å; L589-L591 VanDerWaalsContact C-N 3.29Å; L589-L591 PolarHBondContact O-N 3.13Å; L589-L592 PolarHBondContact O-N 3.18Å; L589-E593 VanDerWaalsContact O-CB 3.25Å; L589-E593 WeakPolarHBondContact O-CB 3.39Å; L589-E593 WeakPolarHBondContact O-CG 3.28Å; L589-E593 PolarHBondContact O-N 2.57Å
590R97Very high94.6Very high162 Ų16270.2 Ų70.261%0.61133%0.334SS*.Hα-helixtrans-66.9-35.7-179.1-72.9170161.3-168.5-10.4111.5K586 A587 K588 V594K586-R590 WeakPolarHBondContact O-CD 3.38Å; K586-R590 WeakPolarHBondContact O-CG 3.41Å; A587-R590 PolarHBondContact O-N 3.17Å; K588-R590 PolarHBondContact O-N 3.32Å; R590-V594 WeakPolarHBondContact O-CB 3.39Å; R590-V594 VanDerWaalsContact O-CG2 3.26Å; R590-V594 WeakPolarHBondContact O-CG2 3.38Å; R590-V594 PolarHBondContact O-N 3.13Å; R590-V594 VanDerWaalsContact O-N 3.09Å
591L95.8Very high93.5Very high60 Ų6067.3 Ų67.331%0.31433%0.331SS..Hα-helixtrans-65.6-49173.9179.356.8000110.5M523 L526 A587 K588 L589 V594 L595M523-L591 HydrophobicContact CE-CB 4.39Å; M523-L591 HydrophobicContact CE-CD2 3.6Å; M523-L591 HydrophobicContact SD-CD2 4.28Å; L526-L591 HydrophobicContact CD1-CD2 4.09Å; A587-L591 PolarHBondContact O-N 3.13Å; K588-L591 PolarHBondContact O-N 3.15Å; L589-L591 VanDerWaalsContact C-N 3.29Å; L589-L591 PolarHBondContact O-N 3.13Å; L591-V594 PolarHBondContact O-N 3.47Å; L591-L595 HydrophobicContact CD1-CD1 3.88Å; L591-L595 HydrophobicContact CD1-CG 4.01Å; L591-L595 HydrophobicContact CG-CD1 3.8Å; L591-L595 HydrophobicContact CG-CG 4.38Å; L591-L595 WeakPolarHBondContact O-CB 3.16Å; L591-L595 VanDerWaalsContact O-CG 3.3Å; L591-L595 WeakPolarHBondContact O-CG 3.44Å; L591-L595 PolarHBondContact O-N 3.39Å
592L96Very high92.2Very high0 Ų066.6 Ų66.60%034%0.34CS..Hα-helixtrans-59.7-46.7176.1-69.2166.1000112.4L526 L534 H537 L538 T541 K588 L589 V594 L595 I596L526-L592 HydrophobicContact CD1-CD2 4.25Å; L526-L592 HydrophobicContact CD1-CG 4.43Å; L526-L592 HydrophobicContact CD2-CD2 4.21Å; L534-L592 HydrophobicContact CD2-CD2 3.69Å; H537-L592 HydrophobicContact CB-CD1 4.11Å; H537-L592 HydrophobicContact CB-CD2 3.9Å; L538-L592 HydrophobicContact CD1-CB 4.1Å; T541-L592 HydrophobicContact CG2-CD1 4.42Å; K588-L592 HydrophobicContact CG-CD1 3.95Å; K588-L592 VanDerWaalsContact O-CG 3.3Å; K588-L592 WeakPolarHBondContact O-CG 3.11Å; K588-L592 PolarHBondContact O-N 3.17Å; L589-L592 PolarHBondContact O-N 3.18Å; L592-V594 VanDerWaalsContact C-N 3.28Å; L592-V594 PolarHBondContact O-N 2.97Å; L592-L595 PolarHBondContact O-N 2.7Å; L592-I596 WeakPolarHBondContact O-CB 3.34Å; L592-I596 WeakPolarHBondContact O-CD1 3.26Å; L592-I596 WeakPolarHBondContact O-CG1 3.15Å; L592-I596 PolarHBondContact O-N 3.07Å
593E95.1Very high90.5Very high73 Ų7370.4 Ų70.434%0.34136%0.358SS..Hα-helixtrans-57.7-38.1176.1-74.7163.717500111.7L538 R542 L589 S597L538-E593 HydrophobicContact CD1-CG 4.04Å; R542-E593 IonicContact NH2-OE1 2.68Å; L589-E593 VanDerWaalsContact O-CB 3.25Å; L589-E593 WeakPolarHBondContact O-CB 3.39Å; L589-E593 WeakPolarHBondContact O-CG 3.28Å; L589-E593 PolarHBondContact O-N 2.57Å; E593-S597 WeakPolarHBondContact O-CB 3.45Å; E593-S597 PolarHBondContact O-N 2.97Å; E593-S597 PolarHBondContact O-OG 3.09Å
594V96.1Very high88.6Confident78 Ų7869 Ų6947%0.47336%0.362SS..Hα-helixtrans-75.9-39.9175.3168.60000113.1R590 L591 L592 S597 K598R590-V594 WeakPolarHBondContact O-CB 3.39Å; R590-V594 VanDerWaalsContact O-CG2 3.26Å; R590-V594 WeakPolarHBondContact O-CG2 3.38Å; R590-V594 PolarHBondContact O-N 3.13Å; R590-V594 VanDerWaalsContact O-N 3.09Å; L591-V594 PolarHBondContact O-N 3.47Å; L592-V594 VanDerWaalsContact C-N 3.28Å; L592-V594 PolarHBondContact O-N 2.97Å; V594-S597 PolarHBondContact O-N 2.83Å; V594-K598 HydrophobicContact CG1-CD 4.37Å; V594-K598 WeakPolarHBondContact O-CG 3.44Å; V594-K598 PolarHBondContact O-N 3.24Å; V594-K598 VanDerWaalsContact O-N 3.07Å
595L94.2Very high86.2Confident22 Ų2274.2 Ų74.212%0.11539%0.391CS..Hα-helixtrans-65.8-44.8179.1-73.1168.8000111.3L526 H527 L534 L591 L592 K598 Q599L526-L595 HydrophobicContact CB-CD1 4.02Å; L526-L595 WeakPolarHBondContact O-CD1 3.45Å; H527-L595 HydrophobicContact CB-CD2 4.4Å; L534-L595 HydrophobicContact CD1-CB 4.15Å; L534-L595 HydrophobicContact CD2-CB 4.17Å; L534-L595 HydrophobicContact CD2-CD1 4.09Å; L591-L595 HydrophobicContact CD1-CD1 3.88Å; L591-L595 HydrophobicContact CD1-CG 4.01Å; L591-L595 HydrophobicContact CG-CD1 3.8Å; L591-L595 HydrophobicContact CG-CG 4.38Å; L591-L595 WeakPolarHBondContact O-CB 3.16Å; L591-L595 VanDerWaalsContact O-CG 3.3Å; L591-L595 WeakPolarHBondContact O-CG 3.44Å; L591-L595 PolarHBondContact O-N 3.39Å; L592-L595 PolarHBondContact O-N 2.7Å; L595-K598 PolarHBondContact O-N 3.42Å; L595-Q599 PolarHBondContact O-N 3.26Å
596I93.6Very high85.7Confident17 Ų1777.3 Ų77.39%0.08741%0.407CS..Hα-helixtrans-58.5-52.4173.8-74.2164.7000110.3M531 L534 L535 L538 L592 K598 Q599 D600M531-I596 HydrophobicContact CE-CG2 4.12Å; M531-I596 HydrophobicContact SD-CG1 4.35Å; L534-I596 HydrophobicContact CB-CD1 4.14Å; L534-I596 HydrophobicContact CB-CG1 3.8Å; L534-I596 HydrophobicContact CD1-CG1 4.31Å; L535-I596 HydrophobicContact CD2-CD1 4.02Å; L538-I596 HydrophobicContact CB-CD1 4.03Å; L538-I596 HydrophobicContact CD2-CD1 3.62Å; L538-I596 HydrophobicContact CG-CD1 4.33Å; L592-I596 WeakPolarHBondContact O-CB 3.34Å; L592-I596 WeakPolarHBondContact O-CD1 3.26Å; L592-I596 WeakPolarHBondContact O-CG1 3.15Å; L592-I596 PolarHBondContact O-N 3.07Å; I596-K598 PolarHBondContact O-N 3.36Å; I596-K598 VanDerWaalsContact O-N 3.1Å; I596-Q599 PolarHBondContact O-N 2.93Å; I596-Q599 VanDerWaalsContact O-N 3.09Å; I596-D600 WeakPolarHBondContact CG2-OD2 3.39Å; I596-D600 PolarHBondContact O-N 3.14Å
597S93.1Very high85Confident73 Ų7375.8 Ų75.851%0.5140%0.404SS..Hα-helixtrans-56.5-31.8178.2-58.80000113.2E593 V594 V601E593-S597 WeakPolarHBondContact O-CB 3.45Å; E593-S597 PolarHBondContact O-N 2.97Å; E593-S597 PolarHBondContact O-OG 3.09Å; V594-S597 PolarHBondContact O-N 2.83Å; S597-V601 VanDerWaalsContact O-CG2 3.28Å; S597-V601 WeakPolarHBondContact O-CG2 3.39Å; S597-V601 PolarHBondContact O-N 2.95Å
598K91Very high84.4Confident139 Ų13977.3 Ų77.360%0.60440%0.404SS*.Hα-helixtrans-75-46.3175.6-76.1178.1174.2-170.10112.6V594 L595 I596 D600 V601 A602V594-K598 HydrophobicContact CG1-CD 4.37Å; V594-K598 WeakPolarHBondContact O-CG 3.44Å; V594-K598 PolarHBondContact O-N 3.24Å; V594-K598 VanDerWaalsContact O-N 3.07Å; L595-K598 PolarHBondContact O-N 3.42Å; I596-K598 PolarHBondContact O-N 3.36Å; I596-K598 VanDerWaalsContact O-N 3.1Å; K598-D600 VanDerWaalsContact C-N 3.29Å; K598-D600 PolarHBondContact O-N 2.94Å; K598-V601 PolarHBondContact O-N 3.26Å; K598-A602 WeakPolarHBondContact O-CB 3.47Å; K598-A602 PolarHBondContact O-N 3.21Å
599Q85.6Confident83.7Confident55 Ų5580 Ų8026%0.25742%0.42SS..Hα-helixtrans-69.6-26-179.9-73.8-172.616.100112.3A529 M531 L595 I596 K603A529-Q599 PolarHBondContact O-NE2 3.44Å; A529-Q599 VanDerWaalsContact O-NE2 3.08Å; M531-Q599 HydrophobicContact CG-CB 3.87Å; M531-Q599 HydrophobicContact SD-CB 3.52Å; M531-Q599 VanDerWaalsContact SD-CB 3.52Å; M531-Q599 HydrophobicContact SD-CG 4.45Å; L595-Q599 PolarHBondContact O-N 3.26Å; I596-Q599 PolarHBondContact O-N 2.93Å; I596-Q599 VanDerWaalsContact O-N 3.09Å; Q599-K603 WeakPolarHBondContact O-CG 3.47Å
600D78.8Confident82.9Confident67 Ų6784.8 Ų84.836%0.35845%0.446SS..Hα-helixtrans-74.7-42.1172.5-69.1-34.1000112.3M531 I596 K598 A602 K603 T604M531-D600 WeakPolarHBondContact CE-OD1 3.45Å; I596-D600 WeakPolarHBondContact CG2-OD2 3.39Å; I596-D600 PolarHBondContact O-N 3.14Å; K598-D600 VanDerWaalsContact C-N 3.29Å; K598-D600 PolarHBondContact O-N 2.94Å; D600-A602 VanDerWaalsContact C-N 3.3Å; D600-A602 PolarHBondContact O-N 3.06Å; D600-K603 PolarHBondContact O-N 2.85Å; D600-T604 PolarHBondContact O-OG1 2.97Å
601V73.6Confident81.9Confident88 Ų8879.7 Ų79.753%0.53343%0.434SS..Hα-helixtrans-61.2-39.9172.2169.40000111.2S597 K598 K603 T604 I605S597-V601 VanDerWaalsContact O-CG2 3.28Å; S597-V601 WeakPolarHBondContact O-CG2 3.39Å; S597-V601 PolarHBondContact O-N 2.95Å; K598-V601 PolarHBondContact O-N 3.26Å; V601-K603 PolarHBondContact O-N 3.28Å; V601-K603 VanDerWaalsContact O-N 3.11Å; V601-T604 PolarHBondContact O-N 2.85Å; V601-I605 HydrophobicContact CG1-CD1 4.15Å
602A69.6Low80.9Confident72 Ų7281.1 Ų81.160%0.59544%0.443SS*.THydrogen-bonded Turntrans-68.6-2.4177.900000115.1K598 D600K598-A602 WeakPolarHBondContact O-CB 3.47Å; K598-A602 PolarHBondContact O-N 3.21Å; D600-A602 VanDerWaalsContact C-N 3.3Å; D600-A602 PolarHBondContact O-N 3.06Å
603K62.1Low79.8Confident136 Ų13687.3 Ų87.359%0.59148%0.477SS*.THydrogen-bonded Turntrans-107.7-3.6170.4-65.4167.2-179.5179.10113.5Q599 D600 V601Q599-K603 WeakPolarHBondContact O-CG 3.47Å; D600-K603 PolarHBondContact O-N 2.85Å; V601-K603 PolarHBondContact O-N 3.28Å; V601-K603 VanDerWaalsContact O-N 3.11Å
604T57.2Low78.5Confident121 Ų12188.5 Ų88.574%0.74249%0.489SS*.  trans-107.812.7-175.6-43.90000111D600 V601D600-T604 PolarHBondContact O-OG1 2.97Å; V601-T604 PolarHBondContact O-N 2.85Å
605I47.2Very low76.9Confident194 Ų19489.5 Ų89.5100%0.99549%0.49SS*.  trans-129.70178.7-55.6173000106.7V601V601-I605 HydrophobicContact CG1-CD1 4.15Å

Retrieved 605 of 605 residues in 78.2 ms (Link to these results)