A0A096MQR8_PAPAN Loading...

E3 ubiquitin-protein ligase RNF220

AlphaFold DB (F7HTE1), UniProt , Accession A0A096MQR8, Species PAPAN (Papio anubis, Olive baboon), Gene RNF220, Length 566 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.1Very low38.5Very low233 Ų233164.9 Ų164.9100%1.14882%0.824SS**  0117.10-65.2174.3178.300107.4
2D36.8Very low38Very low123 Ų123164.3 Ų164.366%0.65883%0.825SS**  cis-153136-11.4-93.1-71.6000105.7
3L47Very low37.6Very low132 Ų132159.7 Ų159.769%0.69182%0.818SS**  76161.781.8-126.4168.8000113.1
4H40.7Very low37.2Very low162 Ų162155.2 Ų155.275%0.7581%0.808SS**  trans74.5111.1-173.9-52.5-84000114.5
5R43Very low36.9Very low234 Ų234159.9 Ų159.988%0.88381%0.813SS**  cis56.498.226.4-173.4-168.8-100.1178.6-3.9114.2
6A33.7Very low37.4Very low91 Ų91159.3 Ų159.375%0.75281%0.811SS**  trans-158.7139.313400000109.7
7A42.9Very low37.9Very low94 Ų94157.1 Ų157.178%0.77781%0.81SS**  trans-107.1150170.700000109.3
8F32.2Very low37.7Very low208 Ų208157.2 Ų157.291%0.91281%0.812SS**  trans-139.2138164.7-92.5-79.9000111.6
9K41.5Very low38.7Very low196 Ų196153.9 Ų153.985%0.85280%0.802SS**  trans-93.3147.8176.3-69.3175.3167.2-175.30111.2
10M34.1Very low38.4Very low172 Ų172154.4 Ų154.485%0.84781%0.805SS**  trans-178118.5132.7-115164.5-94.500105.9
11E34.2Very low38.1Very low169 Ų169151.6 Ų151.679%0.7981%0.805SS**  83.2135.360.2-163.8171.4-166.700114.1
12N32.3Very low38.4Very low157 Ų157146.2 Ų146.284%0.8479%0.79SS**  trans78.7136.7175.7-86.1-34.1000121.6
13S33.4Very low39Very low105 Ų105145.8 Ų145.873%0.73479%0.793SS**  trans-117.8152.8-180169.50000108.7
14S32.5Very low38.6Very low97 Ų97144 Ų14468%0.67880%0.798SS**  167.2121.5129.1-74.60000111.6
15Y32.5Very low38.8Very low225 Ų225144.3 Ų144.388%0.88280%0.804SS**  162.7147120.4-103.2-88.8000112.3
16L44.8Very low38.7Very low150 Ų150141.7 Ų141.779%0.78580%0.804SS**  trans-83.3162.8-168.9-57.7167.7000113.6
17P45.8Very low38.9Very low122 Ų122143.7 Ų143.779%0.79281%0.807SS**  trans-136.2126.1150.636.1-22.2000115.2
18N33.6Very low38.7Very low159 Ų159147.2 Ų147.285%0.8581%0.811SS**  trans-178.9168.6134.6-119.61.1000109.8
19P56.5Low38.7Very low96 Ų96141.5 Ų141.562%0.62380%0.803SS**  cis-135.7-177-028.3-4000116.2
20L33.7Very low38.5Very low162 Ų162138.1 Ų138.185%0.84880%0.804SS**  trans111146.4146.5-59.2-179.7000119.9
21A32.8Very low38.6Very low97 Ų97136.7 Ų136.780%0.80281%0.805SS**  trans77.5130.3154.800000120.3
22S42.4Very low38.8Very low120 Ų120133.5 Ų133.584%0.83981%0.808SS**  trans-70155.7167.1-460000112
23P48.7Very low38.8Very low113 Ų113135.3 Ų135.373%0.73481%0.811SS**  trans-110.7125.5155.318.30.1000111.7
24A39.2Very low38.7Very low94 Ų94134.4 Ų134.478%0.77781%0.81SS**PPolyproline II helixtrans-70.3148.7150.300000108.7
25L45.2Very low38.6Very low170 Ų170134.3 Ų134.389%0.8981%0.809SS**PPolyproline II helixtrans-102.4135.4175.3-70.4-179.3000111.8
26M39.8Very low38.8Very low178 Ų178134 Ų13488%0.87781%0.806SS**PPolyproline II helixtrans-85.1157.7-174.6-73.3172.6-80.300112.6
27V39.8Very low38.1Very low133 Ų133134.3 Ų134.381%0.80681%0.809SS**PPolyproline II helixtrans-60.9136165.11760000110.4
28L36.8Very low37.4Very low168 Ų168133.5 Ų133.588%0.8881%0.812SS**  trans-125.6118.7156.7-71.8177.1000109.2
29A34.3Very low37.3Very low89 Ų89131.3 Ų131.374%0.73681%0.81SS**  trans-80.7150.8165.300000109.4
30S36.3Very low36.3Very low124 Ų124134.7 Ų134.787%0.86782%0.82SS**  trans-146.1123.3163.9-79.20000110.9
31T37.2Very low36.7Very low143 Ų143132.2 Ų132.288%0.87781%0.814SS**  trans-86.4140.6172.249.40000110.4
32A36.8Very low36.6Very low102 Ų102133.4 Ų133.484%0.84382%0.815SS**  trans-151.7143.8158.200000110.3
33E33.1Very low36Very low195 Ų195136 Ų13691%0.91181%0.814SS**  trans-104.8-177.2-175.8-57.8-162127.200113.1
34A31.8Very low35.4Very low86 Ų86137.4 Ų137.471%0.71181%0.811SS**  trans92.386.3148.400000120.8
35S29Very low35.8Very low94 Ų94139.2 Ų139.266%0.65782%0.815SS**  73.9148111.486.90000123.1
36R37Very low35.3Very low219 Ų219141.4 Ų141.483%0.82681%0.811SS**  trans78.8109.8152.4-72.7165.4176.1175-0.7116.6
37D30.1Very low36Very low157 Ų157137.4 Ų137.484%0.8480%0.799SS**  85.410574.5-95.4-43.3000112.6
38A32Very low35.7Very low105 Ų105140.8 Ų140.887%0.86880%0.803SS**  trans-172.2117.1146.300000110
39S31.9Very low35.5Very low113 Ų113136 Ų13679%0.7979%0.794SS**  trans-107.7155.215951.20000108.9
40I34.8Very low35.4Very low166 Ų166138.1 Ų138.185%0.85180%0.797SS**  trans165.4143.9150.3-83.7-91.8000108.9
41P42.9Very low36.2Very low111 Ų111137.6 Ų137.672%0.72179%0.791SS**  trans-114.9170-167.241.2-32000116
42C29.5Very low36Very low122 Ų122137 Ų13782%0.82479%0.787SS**  trans-146.8123.4160.9-93.50000108.4
43Q31Very low35.8Very low173 Ų173137.1 Ų137.181%0.80878%0.782SS**  102.7141.762.2-85.5-69.20.600111.8
44Q35.1Very low35.9Very low144 Ų144133.9 Ų133.967%0.67378%0.775SS**  trans-86.4179.4-165-56.5-179.6-51.400114.1
45P47.9Very low35.9Very low132 Ų132135.5 Ų135.586%0.85777%0.771SS**  -134.5175.896.918.23.4000116.7
46R35.5Very low36.3Very low215 Ų215138.5 Ų138.581%0.81177%0.773SS**  trans-98.1-156.2-167.8-38.4179.8-177.9-168.21.1111.9
47P53.5Low36.2Very low95 Ų95134.8 Ų134.862%0.61777%0.769SS**  cis-125.4172.3-17.824.10.8000113.2
48F33.1Very low36.5Very low204 Ų204133.7 Ų133.790%0.89577%0.768SS**  cis-140.3-167.138.6-73.1-93.4000111
49G33.6Very low36.5Very low66 Ų66137.2 Ų137.268%0.6877%0.766SS**  cis-165.7-164.3800000114
50V32.4Very low36.8Very low135 Ų135137 Ų13782%0.81876%0.755SS**  trans-150.1160.8-166.7177.70000109.1V52V50-V52 HydrophobicContact CG1-CG2 4.45Å
51P51.9Low37.5Very low112 Ų112134.6 Ų134.673%0.72775%0.75SS**  cis-122.8148.610.76.321.8000117.8
52V33.4Very low37Very low130 Ų130137.1 Ų137.179%0.78875%0.75SS**  78.3117.691.8178.20000116.9V50V50-V52 HydrophobicContact CG1-CG2 4.45Å
53S33Very low37.2Very low106 Ų106136.4 Ų136.474%0.74174%0.742SS**  -172.5156.1118.7-153.90000113.7
54V34.2Very low37.2Very low126 Ų126135.6 Ų135.676%0.76474%0.743SS**  trans-48173.6-176.7-52.70000117.4
55D32.8Very low37Very low120 Ų120132 Ų13264%0.64275%0.745SS**  cis-163.5168.912.8-154.4-167.1000111.7
56K36.1Very low36.3Very low158 Ų158131.2 Ų131.269%0.68774%0.742SS**  trans65.2126.2160.4-100.876.1179.1-172.20124.9
57D35.3Very low36.1Very low141 Ų141131.4 Ų131.475%0.75475%0.745SS**  trans-25.8155.7143-48.5-93.5000117.2
58V36.9Very low35.2Very low134 Ų134133.3 Ų133.381%0.81276%0.755SS**  -166.2121.368.8161.40000112.6
59H32.4Very low35.3Very low179 Ų179132.7 Ų132.783%0.82975%0.752SS**  trans54.1134.2135.4-130.6-86.5000125.4
60I38.5Very low35.2Very low109 Ų109134 Ų13456%0.55976%0.756SS**  trans-81.2166.1172.1-22.3177.9000111.2F62I60-F62 HydrophobicContact CD1-CE2 4.37Å
61P49.3Very low35.3Very low114 Ų114132.4 Ų132.474%0.7475%0.751SS**  -135.914588.512.111.8000113.6
62F32.3Very low34.5Very low165 Ų165136.1 Ų136.172%0.72476%0.761SS**  58.6139.281.4-67.2-62.8000114.2I60I60-F62 HydrophobicContact CD1-CE2 4.37Å
63T33.1Very low34.8Very low106 Ų106140.8 Ų140.865%0.6577%0.766SS**  cis-164160.813.6-2.20000111.7
64N30.5Very low34.8Very low157 Ų157144.6 Ų144.684%0.8477%0.772SS**  trans35.9143.5143.4-62.2-3.7000123.2
65G32.3Very low34.7Very low69 Ų69147.8 Ų147.871%0.71177%0.77SS**  trans167.756.2154.900000121
66S31.7Very low34.6Very low114 Ų114150.3 Ų150.380%0.79778%0.778SS**  trans26.8123143.454.90000123.1
67Y31Very low34.4Very low220 Ų220147 Ų14786%0.86379%0.788SS**  68.4114.1124.6-145.5-112.7000120.6
68T36.2Very low34.1Very low135 Ų135144 Ų14483%0.82879%0.791SS**  170.6164.5117.333.90000113.8
69F34.1Very low34.2Very low191 Ų191144.4 Ų144.484%0.83879%0.794SS**  trans-106.1139.7-174.9164.7-79.4000111.5
70A31.5Very low34.6Very low92 Ų92141.9 Ų141.976%0.7679%0.793SS**  trans-178.9146.6143.800000113.4
71S36Very low34.3Very low102 Ų102140.1 Ų140.171%0.71380%0.802SS**  trans-73.8154.5175.1-45.90000114.2
72M34.2Very low33.6Very low190 Ų190140.3 Ų140.394%0.93680%0.801SS**  trans-158.8142.9139.8-93.9-47.1-16300111.9
73Y39.1Very low33.6Very low229 Ų229142 Ų14290%0.89881%0.808SS**  trans-81.4132.3167.6-79.8-103.5000110.6
74H32.8Very low33.8Very low186 Ų186140.4 Ų140.486%0.86181%0.806SS**  trans-152.5162.1145.6-146.965.9000114.6
75R32.3Very low34Very low192 Ų192139.6 Ų139.673%0.72580%0.801SS**  trans-81.6165-175.7-79.4-175.9170.7-87.83.4114.1
76Q31.7Very low34.4Very low173 Ų173145.6 Ų145.681%0.80880%0.803SS**  trans62110.4142.8-82.4174-22.300119.4
77G31.3Very low34.3Very low88 Ų88146 Ų14691%0.90780%0.796SS**  86.7125.8108.700000118
78G29.1Very low34.3Very low79 Ų79144.7 Ų144.781%0.81480%0.795SS**  trans147.990.9164.200000114.6
79V38.9Very low34.8Very low143 Ų143144 Ų14487%0.86779%0.793SS**  trans-136.6134.8150-1170000107.6
80P40Very low35.6Very low125 Ų125139.7 Ų139.781%0.81278%0.784SS**  trans-83.4151.7-166.633.6-34.8000111.9
81G34Very low35.8Very low72 Ų72140.2 Ų140.274%0.74278%0.782SS**  trans-95.8157.817100000112.8
82T34.2Very low35.8Very low118 Ų118142.7 Ų142.772%0.72479%0.787SS**  trans-140.395.9164.650.90000110.8
83F31.8Very low35.8Very low201 Ų201140.4 Ų140.488%0.88278%0.777SS**  trans63.9154.6155.4-43.6-70.8000120.9
84A36.3Very low35.5Very low72 Ų72137.4 Ų137.460%0.59577%0.771SS**  cis-173.2150.4-37.100000109.9
85N35.9Very low35.5Very low140 Ų140136.5 Ų136.575%0.74977%0.772SS**  trans70.1137.9151.1-72.7-37.2000118
86R39.3Very low35.4Very low195 Ų195134.4 Ų134.474%0.73677%0.77SS**  cis-170175.5-1.4-137.2171-179.8-111.38.7115.1
87D30.9Very low36.4Very low123 Ų123130.7 Ų130.766%0.65876%0.761SS**  trans88.392.3149.2-60.2-35.8000120.4
88F30.1Very low36.6Very low193 Ų193133.4 Ų133.485%0.84675%0.75SS**  trans-61.1178.1144.8-83-84.8000111.2
89P46.7Very low36.7Very low120 Ų120138.8 Ų138.878%0.77975%0.751SS**  cis-152.3-151.937.350-25.3000115.1
90P50.6Low36.5Very low101 Ų101136.2 Ų136.266%0.65675%0.745SS**  -142.2-167.3-109.940.9-16.5000117.3
91S35.8Very low37.6Very low102 Ų102135.8 Ų135.871%0.71374%0.742SS**  trans76.1132.1149.9-59.50000120.4
92L35.8Very low38.5Very low155 Ų155137.4 Ų137.481%0.81274%0.739SS**  -174.7141.5102.9-100.1176.9000115.7
93L34.8Very low38.4Very low141 Ų141138.8 Ų138.874%0.73874%0.743SS**  trans8098.8157.7-57.4174.8000122.8
94H34.2Very low38.7Very low166 Ų166136.2 Ų136.277%0.76974%0.737SS**  23.7144.4105.5-59.5106.4000119.4
95L31.3Very low38.6Very low168 Ų168139.1 Ų139.188%0.8874%0.743SS**  cis-161.7-165.335.7-126.1150.2000113.7
96H30.1Very low38.2Very low148 Ų148138.5 Ų138.569%0.68575%0.748SS**  trans-109.1157-146.1-172.4-81.4000117.7
97P53.9Low38Very low94 Ų94135.8 Ų135.861%0.6175%0.753SS**  trans-85.4174.4179.635.6-41.7000117.1
98Q35Very low39Very low145 Ų145135.4 Ų135.468%0.67876%0.757SS**  trans-151164.7162.9-52.3-64.2-13.100107
99F31.2Very low39.2Very low192 Ų192134.4 Ų134.484%0.84276%0.759SS**  cis-143.4172.81.3-86.9-65.2000109.3
100A34.7Very low38.5Very low89 Ų89133.7 Ų133.774%0.73676%0.757SS**  trans-157.2-163.3170.400000109.9
101P62.9Low37.8Very low117 Ų117137 Ų13776%0.7677%0.766SS**  -106.1-154.3-82.536.7-19.7000111.4
102P53.6Low37.9Very low105 Ų105138 Ų13868%0.68276%0.762SS**  -159.6150.578.738.5-15.8000120.9
103N31Very low37.7Very low148 Ų148137.9 Ų137.979%0.79176%0.763SS**  trans54.3154.1143.1-56.2-40.1000121.9
104L37.8Very low37.8Very low146 Ų146139.4 Ų139.476%0.76477%0.766SS**  cis-146151.929.5-78.8163.3000115.4
105D34.2Very low37.7Very low133 Ų133137.7 Ų137.771%0.71177%0.772SS**  trans52.4119.2143.1-56-23.2000125.5
106C28.5Very low37.8Very low127 Ų127133.1 Ų133.186%0.85877%0.766SS**  -173.7143.5111.6-92.20000112.8
107T34Very low38.2Very low139 Ų139132.6 Ų132.685%0.85377%0.773SS**  trans-147.7-179.3174.159.20000110.1
108P52.1Low37.1Very low114 Ų114132.1 Ų132.174%0.7479%0.785SS**  -129.2165.3-73.839.4-24.4000113.4
109I35.8Very low37.1Very low172 Ų172128.6 Ų128.688%0.88278%0.781SS**  trans-137.6134.6160.6-62-174.8000110.7
110S31.4Very low37.3Very low105 Ų105129.5 Ų129.573%0.73479%0.785SS**  trans-62.5168.9177.4-50.40000114.7
111M35.3Very low37.7Very low171 Ų171136.3 Ų136.384%0.84279%0.792SS**  -170.2157.1119.5-93.3-57-91.600111.3
112L37.7Very low36.4Very low122 Ų122136.9 Ų136.964%0.63980%0.795SS**  trans-64156.3-153.3-75.871.4000119.8
113N31.5Very low35.3Very low154 Ų154141.6 Ų141.682%0.82481%0.805SS**  trans-69.4145.7154.3-72.1-40.7000112.2
114H37.8Very low35.2Very low173 Ų173139.5 Ų139.580%0.80181%0.809SS**  trans-137.8110.9154.6-71.3-65.6000111.3
115S30.9Very low34.8Very low129 Ų129138.2 Ų138.290%0.90281%0.812SS**  trans-94.3137.8161.2-60.50000108.8
116G33.5Very low34.5Very low73 Ų73137.7 Ų137.775%0.75381%0.814SS**  trans176.476179.500000117.6
117V39Very low35Very low136 Ų136140.3 Ų140.382%0.82481%0.813SS**  trans42.7100.7143.3-166.60000118.4A119V117-A119 HydrophobicContact CG1-CB 4.16Å
118G31.1Very low35Very low85 Ų85139.7 Ų139.788%0.87681%0.805SS**  trans-86.1128.4154.300000110.7
119A34.4Very low34.3Very low71 Ų71143.4 Ų143.459%0.58780%0.804SS**  trans-133.370.3-171.500000113.5V117V117-A119 HydrophobicContact CG1-CB 4.16Å
120F35.8Very low34.1Very low211 Ų211142 Ų14293%0.92579%0.794SS**  trans-142.7121.1162.4-71.2-71.9000110.9
121R44.2Very low34.5Very low232 Ų232142 Ų14288%0.87579%0.793SS**PPolyproline II helixtrans-99.1137166.5-74.8-179.2172.5-116.6-0.2108.6
122P35Very low34.4Very low129 Ų129145.1 Ų145.184%0.83880%0.797SS**PPolyproline II helixtrans-69.5139.9169.2-15.630.5000111
123F30.4Very low34.6Very low203 Ų203148.4 Ų148.489%0.8981%0.81SS**PPolyproline II helixtrans-87.9138.8166.1-80.5-89.5000110
124A29.7Very low35.1Very low104 Ų104146.5 Ų146.586%0.8681%0.809SS**PPolyproline II helixtrans-77.6146.2163.200000109.7
125S27.6Very low35.3Very low120 Ų120142.4 Ų142.484%0.83981%0.805SS**  trans-135140.7174.4-172.40000109.7
126T29.8Very low36.2Very low121 Ų121145.4 Ų145.474%0.74280%0.802SS**  trans-122.2130.1175.748.80000108.6
127E37.7Very low36.7Very low182 Ų182148.2 Ų148.285%0.8580%0.804SS**  trans23.3138.1152.4-61.9169.9142.500119
128D34.9Very low36.7Very low126 Ų126148 Ų14867%0.67481%0.806SS**  cis-167.7156.726-151.4-14.7000112.1
129R35.9Very low36.9Very low192 Ų192148.8 Ų148.873%0.72580%0.804SS**  trans50.9155.2160-84.5153.458.5-174.3-6.1121.2
130E32.6Very low37.4Very low144 Ų144155 Ų15567%0.67382%0.818SS**  cis-135.4152.96.8-96.9101.9-164.300113.2
131S39.4Very low37.6Very low103 Ų103156.9 Ų156.972%0.7282%0.819SS**  trans53.695.9144.7-175.30000122.2
132Y34.2Very low37.3Very low237 Ų237153.1 Ų153.193%0.92982%0.815SS**  trans-138.6137.3140.3-95.6-86.1000111.1
133Q40.3Very low37.5Very low191 Ų191156.6 Ų156.689%0.89382%0.817SS**  trans-83.8131.9-176.5-68.9174.9-22.700111.8
134S43.8Very low37.4Very low115 Ų115153.1 Ų153.180%0.80481%0.808SS**  trans-91.5134173.2-175.10000111.4F136S134-F136 PolarHBondContact O-N 2.88Å
135A40.4Very low37.3Very low87 Ų87154.5 Ų154.572%0.71981%0.81SS**SBendtrans-91.211.9-159.900000116.5
136F50Low37.5Very low191 Ų191157 Ų15784%0.83881%0.808SS**  trans-139.488-178.9-69.4-78.6000113.4S134S134-F136 PolarHBondContact O-N 2.88Å
137T43.7Very low37.4Very low132 Ų132158.2 Ų158.281%0.8181%0.81SS**  trans-136.1141.5154490000109.7
138P39.3Very low37.1Very low131 Ų131154.6 Ų154.685%0.85180%0.8SS**PPolyproline II helixtrans-73.6143.4-177.8-16.131.5000112.7
139A36Very low36.8Very low103 Ų103157.3 Ų157.385%0.85181%0.809SS**PPolyproline II helixtrans-70.9134.218000000112.8
140K45.5Very low36.6Very low201 Ų201153.6 Ų153.687%0.87481%0.813SS**PPolyproline II helixtrans-67.2145.6165.9-68.2180175.9178.60110.5
141R40.2Very low37Very low250 Ų250152.4 Ų152.494%0.94382%0.817SS**PPolyproline II helixtrans-97.8143150.3-77.5-164.988.2157.25.6110.4
142L37.9Very low36.6Very low153 Ų153154.8 Ų154.880%0.80182%0.817SS**PPolyproline II helixtrans-84149.1-176.5-65.5154.4000111.7
143K38.2Very low36.4Very low202 Ų202151.7 Ų151.788%0.87882%0.816SS**  trans-142.3114.1145.9-165.974.5179.6-174.10109.2
144N27.7Very low35.8Very low130 Ų130153.1 Ų153.170%0.69581%0.813SS**  trans-75134.4172-65.830.3000109.8
145C28.4Very low35Very low133 Ų133157 Ų15790%0.89982%0.816SS**  trans-139.8132.1134.9-84.60000106.2
146H32.1Very low34.5Very low173 Ų173157.1 Ų157.180%0.80181%0.811SS**  trans-146.2109.7-178.3-163.6-56.1000108.1
147D27.7Very low33.4Very low146 Ų146155.2 Ų155.278%0.78181%0.81SS**  trans174138.2167.7-99.8-36.7000107.1
148T32Very low33Very low106 Ų106153.3 Ų153.365%0.6581%0.807SS**  cis-155.9161.4-22.1-17.10000106.8
149E27.4Very low32.7Very low183 Ų183154.4 Ų154.486%0.85581%0.806SS**  trans60.2117.9162.5-57.9-170.8119.800120.7
150S31.9Very low32.4Very low114 Ų114152.5 Ų152.580%0.79780%0.796SS**  trans-79.3155147.8-650000109.3
151P41.7Very low31.9Very low119 Ų119151 Ų15177%0.77379%0.789SS**  -143.1123.4101.134-18.6000115.6
152H30.6Very low31.4Very low154 Ų154145 Ų14571%0.71377%0.772SS**  17.7110.7121.8-168.8-66.1000118.2
153L28.8Very low30.9Very low172 Ų172147.7 Ų147.790%0.90177%0.773SS**  trans-140144.7149.3-86.2-172.1000113.3
154R28.8Very low30.5Very low220 Ų220144.9 Ų144.983%0.8377%0.768SS**  trans-105.7168.9170.8-82.2-167.5176.3-171.10.6110.4
155F26.4Very low30.5Very low198 Ų198147.9 Ų147.987%0.86878%0.775SS**  trans-41150.8174.5-83.7-102.5000118.9
156S30.1Very low30.5Very low89 Ų89144.7 Ų144.762%0.62277%0.765SS**  trans84.7107.7135.1-81.40000122.9
157D27.9Very low30.4Very low151 Ų151142.2 Ų142.281%0.80776%0.762SS**  103.4146.9110.1-87.4-60.7000123.9
158A33.5Very low30.5Very low91 Ų91143.4 Ų143.475%0.75276%0.763SS**  trans82.9105.6150.600000122.5
159D33Very low30.5Very low155 Ų155145.9 Ų145.983%0.82977%0.771SS**  101.6138.3126.5-147.5-7.4000119.7
160G31.1Very low31.1Very low62 Ų62143 Ų14364%0.63977%0.768SS**  trans140.555.2169.300000119.9
161K35.4Very low30.9Very low171 Ų171142.4 Ų142.474%0.74376%0.764SS**  trans49.8142.7134.6-62.3179.9-178.7-165.80120.3
162E27.7Very low30.2Very low124 Ų124141.9 Ų141.958%0.57976%0.763SS**  cis-169.5-18018.6-116.3160.4-152.700109.9
163Y29.1Very low30.4Very low209 Ų209140 Ų14082%0.8277%0.767SS**  trans95.8155.5164.9-54.4-71000119.8
164D28.3Very low31.2Very low143 Ų143137.9 Ų137.977%0.76576%0.764SS**  -135.1-176-127.5-150.8-66.2000114.9
165F28.4Very low31.1Very low192 Ų192131 Ų13184%0.84276%0.762SS**  trans76.9126.3-176.4-66-93.9000115.5
166G28.5Very low31.2Very low67 Ų67126.9 Ų126.969%0.69176%0.757SS**  cis116.3137.913.300000110.6
167T29.9Very low31.1Very low120 Ų120129.4 Ų129.474%0.73676%0.763SS**  cis-165.8164.63.7-42.60000109.7
168Q29.3Very low31.1Very low172 Ų172130.5 Ų130.580%0.80476%0.761SS**  trans85119.5160.3-48.8-636.200121.8
169L32.5Very low30.9Very low158 Ų158133 Ų13383%0.82777%0.766SS**  trans-93165.1142.4-68.5165.7000108.3
170P39.1Very low30.8Very low121 Ų121132.4 Ų132.479%0.78676%0.763SS**  -156.715494.138.9-19.2000118.4
171S28.9Very low30.9Very low102 Ų102136.6 Ų136.671%0.71377%0.771SS**  trans28.7139.7132-162.50000124.3
172S27.1Very low31Very low109 Ų109134.8 Ų134.876%0.76277%0.774SS**  trans74.9127.1138.249.90000123.7
173S35.3Very low31.3Very low113 Ų113131.8 Ų131.879%0.7978%0.777SS**  trans-59.3168152.4-42.40000112.1
174P45.5Very low32.3Very low129 Ų129132.1 Ų132.184%0.83878%0.782SS**  cis-152.2172.632.542.8-21.4000120
175G26Very low32.8Very low76 Ų76134.5 Ų134.578%0.78479%0.786SS**  trans100.7140.9133.400000123.3
176S28.4Very low33.2Very low111 Ų111133.1 Ų133.178%0.77679%0.785SS**  trans85.8112.9143.8-88.90000125.4
177L27.5Very low33.1Very low141 Ų141139.5 Ų139.574%0.73880%0.795SS**  84.1119.9124.1-68.3171.7000124.6
178K28.3Very low33.2Very low174 Ų174137.9 Ų137.976%0.75779%0.794SS**  trans76.5126.9139.6-66.9-179.3178.6-168.60122
179V29.5Very low33.2Very low143 Ų143136.4 Ų136.487%0.86780%0.796SS**  -170.7155.5105145.20000110.4
180D31.7Very low33.3Very low143 Ų143134.5 Ų134.577%0.76580%0.796SS**  trans-97.4164.6-156.5-63.3-104.3000118.5
181D32.9Very low32.7Very low150 Ų150132 Ų13280%0.80279%0.792SS**  trans106149.9133.2-151.6-125.1000122.2
182T36.6Very low33Very low134 Ų134134.5 Ų134.582%0.82280%0.797SS**  trans84.6109.1-179.4-40.60000115.6
183G34.7Very low33.2Very low61 Ų61136.1 Ų136.163%0.62980%0.795SS**  cis172.6151.2-9.300000114.3
184K48.8Very low33Very low216 Ų216135.8 Ų135.894%0.93979%0.793SS**  trans78.5108156.8-56.2176.1-173.31750119.1
185K39.3Very low32.3Very low193 Ų193135.9 Ų135.984%0.83979%0.786SS**  trans-63.7-179157.8-59.9171.8176.7173.30109.4
186I36.4Very low32.8Very low162 Ų162140.7 Ų140.783%0.83178%0.781SS**  cis-163159.149.8-16.2176.9000113.3
187F28.2Very low33.1Very low202 Ų202142.1 Ų142.189%0.88678%0.775SS**  trans-61162.7170.8-79.8-120000114.4
188A31.2Very low33.2Very low86 Ų86139.8 Ų139.871%0.71178%0.776SS**  167.613799.800000117.3
189V30Very low33.1Very low141 Ų141137.1 Ų137.186%0.85578%0.779SS**  trans71.2133.6133.9171.60000123
190S33.5Very low32.8Very low118 Ų118135.3 Ų135.383%0.82577%0.773SS**  trans-44.8160.3173.1-38.10000119.8
191G27.7Very low32.6Very low68 Ų68134.4 Ų134.470%0.70178%0.778SS**  trans17683.4158.800000119.2
192L34Very low33.2Very low155 Ų155132.4 Ų132.481%0.81277%0.773SS**  trans60.3126.8135.6-57.2-179.9000123.6
193I31.1Very low33Very low142 Ų142135.6 Ų135.673%0.72878%0.779SS**  trans69.4142.5130.575.8-172.8000124.8
194S32.4Very low32.9Very low106 Ų106138.9 Ų138.974%0.74178%0.782SS**  trans83.2146.5147.7-67.20000120.3
195D31Very low32.3Very low132 Ų132139.4 Ų139.471%0.70678%0.778SS**  cis-172.2172.5-27.6-160-12.6000107.7
196R35.5Very low31.9Very low177 Ų177136.9 Ų136.967%0.66877%0.774SS**  trans84.1110.1136.8-139.873.8-171.7-179.212.3123
197E34.6Very low31.7Very low140 Ų140135.4 Ų135.465%0.65477%0.768SS**  trans73.5103.6135-72.4172.415600124.4
198A29.1Very low32Very low93 Ų93137 Ų13777%0.76977%0.768SS**  51117.7102.100000122.3
199S26.4Very low32.3Very low117 Ų117137.3 Ų137.382%0.81876%0.764SS**  trans166.4155.5134.3480000109.8
200S23.9Very low32.5Very low106 Ų106138.4 Ų138.474%0.74176%0.757SS**  cis173.3108.8-43.248.40000107.3
201S27.7Very low32.6Very low124 Ų124141.3 Ų141.387%0.86776%0.755SS**  trans58.8176.3158.8-115.60000118.8
202P45.3Very low32.8Very low107 Ų107148.1 Ų148.170%0.69577%0.765SS**  cis-128.6169.2-1539.5-24.7000113.9
203E32.5Very low33Very low201 Ų201145.8 Ų145.894%0.93977%0.768SS**  -168.8157.2116.5-104.3-169.6137.600112.2
204D32.3Very low33.2Very low131 Ų131143.5 Ų143.570%0.70177%0.77SS**  trans-103144.8-157-172.9-99.8000112.8
205R35.8Very low33.6Very low227 Ų227143 Ų14386%0.85777%0.773SS**  17093.3125.9-89.7163.9179.7-162.7-4.7116.4
206N30.6Very low34.2Very low139 Ų139144.9 Ų144.974%0.74378%0.782SS**  58.1125.8128.6-147.8-25.2000122.6
207D33.3Very low34.4Very low132 Ų132146 Ų14671%0.70679%0.792SS**  trans-42.1148.8171-64.1-108.6000119.8
208R33.8Very low34.8Very low235 Ų235144.4 Ų144.489%0.88779%0.788SS**  -171.9110.699.9-98.6170.7-172-128.80.2115.8
209C38.3Very low35.7Very low93 Ų93146.2 Ų146.263%0.62880%0.795SS**  trans43.5118131.6-97.80000122.1
210K34.6Very low37.2Very low164 Ų164148.4 Ų148.471%0.71379%0.792SS**  103.8115.8121.2-76165.1-179.3154.10121.4
211K34Very low39.2Very low178 Ų178145.1 Ų145.177%0.77477%0.772SS**  78.1103.4128-67.5175177.1-172.80119.4
212K32.5Very low41.7Very low211 Ų211141.3 Ų141.392%0.91774%0.744SS**  170.791100.4-90175.6-177.8-179.90111.2
213A37.6Very low43.7Very low107 Ų107141 Ų14188%0.88474%0.736SS**  trans-160.367.2171.800000112.2
214A36.7Very low46.2Very low93 Ų93132 Ų13277%0.76969%0.694SS**  trans-170.876.7168.300000109.9
215A40.2Very low48.5Very low96 Ų96131.5 Ų131.579%0.79370%0.699SS**  trans-147.242.517700000111.7
216L43.6Very low50.8Low172 Ų172125.6 Ų125.690%0.90168%0.683SS**  trans-141.968166-70.9179.1000107.1
217F40Very low53.4Low199 Ų199121.4 Ų121.487%0.87366%0.664SS**  trans-116.1123.7164.7-105.8-83.4000108.7
218D42.6Very low55.8Low107 Ų107122.8 Ų122.857%0.57267%0.666SS**  trans-16.7140.1172.2-156.9-8.4000117.8Q220D218-Q220 PolarHBondContact O-N 3.09Å
219S47.1Very low58.3Low132 Ų132115.1 Ų115.192%0.92365%0.646SS**THydrogen-bonded Turntrans-68.416.617237.20000114.3
220Q58.4Low60.7Low162 Ų162116 Ų11676%0.75764%0.643SS**THydrogen-bonded Turntrans-125.625-174.9-162.1128.453.700113D218 P222D218-Q220 PolarHBondContact O-N 3.09Å; Q220-P222 WeakPolarHBondContact O-CD 3.42Å
221A66.9Low63.1Low37 Ų37108.6 Ų108.631%0.30661%0.611SS.*  trans-67121.7169.500000110.5L230A221-L230 HydrophobicContact CB-CD1 4.17Å; A221-L230 HydrophobicContact CB-CD2 3.8Å; A221-L230 HydrophobicContact CB-CG 3.95Å
222P79Confident65.6Low45 Ų45107.8 Ų107.829%0.29260%0.603SS.*  trans-66.9136.9-176.426-33.2000111.4Q220 L231 L236Q220-P222 WeakPolarHBondContact O-CD 3.42Å; P222-L231 HydrophobicContact CG-CB 4.5Å; P222-L231 WeakPolarHBondContact O-CB 3.4Å; P222-L231 PolarHBondContact O-N 3.36Å; P222-L236 HydrophobicContact CB-CD1 4.39Å; P222-L236 HydrophobicContact CG-CD1 4.23Å; P222-L236 HydrophobicContact CG-CD2 4.2Å
223I86.8Confident67.9Low101 Ų101102.6 Ų102.652%0.51859%0.592SS.*BIsolated β-bridgetrans-104.2132175.6-58.5173.3000108Q228 V229 L230I223-Q228 HydrophobicContact CG2-CB 4.45Å; I223-V229 WeakPolarHBondContact CA-O 3.33Å; I223-L230 HydrophobicContact CG1-CB 4.35Å; I223-L230 HydrophobicContact CG1-CD1 4.43Å; I223-L230 HydrophobicContact CG1-CG 4.44Å
224C86.1Confident69.9Low10 Ų10102.2 Ų102.27%0.06858%0.582CS.*  trans-64124.7175-178.10000110.5I226 C227 Q228 V229 L231 H239C224-I226 PolarHBondContact O-N 3.12Å; C224-C227 VanDerWaalsContact CB-SG 3.51Å; C224-C227 VanDerWaalsContact SG-SG 3.62Å; C224-Q228 WeakPolarHBondContact O-CA 3.49Å; C224-Q228 PolarHBondContact O-N 2.92Å; C224-V229 PolarHBondContact N-O 3.32Å; C224-L231 HydrophobicContact CB-CD1 4.11Å; C224-H239 WeakPolarHBondContact CB-NE2 3.32Å; C224-H239 PolarHBondContact SG-NE2 3.22Å
225P81.3Confident72.2Confident122 Ų122102 Ų10279%0.79257%0.565SS**THydrogen-bonded Turntrans-71.4-13.9-179.329-34.9000113.7
226I83.4Confident74.4Confident102 Ų102100.9 Ų100.952%0.52355%0.546SS..THydrogen-bonded Turntrans-91.7-56.7-177.5-54.2171.1000110.4C224 E243 L247C224-I226 PolarHBondContact O-N 3.12Å; I226-E243 WeakPolarHBondContact CB-OE2 3.42Å; I226-E243 HydrophobicContact CD1-CB 4.13Å; I226-E243 WeakPolarHBondContact CG2-OE2 3.42Å; I226-L247 HydrophobicContact CD1-CD1 4.18Å
227C84.8Confident76.5Confident52 Ų5297.8 Ų97.835%0.35153%0.527SS..THydrogen-bonded Turntrans-100.3-5.9-176.374.10000114.8C224 V229 H239C224-C227 VanDerWaalsContact CB-SG 3.51Å; C224-C227 VanDerWaalsContact SG-SG 3.62Å; C227-V229 HydrophobicContact CB-CG2 4.46Å; C227-V229 PolarHBondContact O-N 3.43Å; C227-V229 VanDerWaalsContact SG-CG2 3.55Å; C227-H239 PolarHBondContact SG-CE1 3.49Å; C227-H239 PolarHBondContact SG-NE2 3Å
228Q83.6Confident78.9Confident160 Ų16095.2 Ų95.275%0.74852%0.517SS*.  trans58.219.9-178.3-61.9-170.363.100116.1I223 C224I223-Q228 HydrophobicContact CG2-CB 4.45Å; C224-Q228 WeakPolarHBondContact O-CA 3.49Å; C224-Q228 PolarHBondContact O-N 2.92Å
229V87.6Confident81.2Confident75 Ų7591.3 Ų91.346%0.45550%0.495SS..PPolyproline II helixtrans-73135.1169.6177.90000109.9I223 C224 C227 L231I223-V229 WeakPolarHBondContact CA-O 3.33Å; C224-V229 PolarHBondContact N-O 3.32Å; C227-V229 HydrophobicContact CB-CG2 4.46Å; C227-V229 PolarHBondContact O-N 3.43Å; C227-V229 VanDerWaalsContact SG-CG2 3.55Å; V229-L231 HydrophobicContact CB-CD2 4.44Å; V229-L231 HydrophobicContact CG1-CD2 4.01Å
230L87.3Confident83.2Confident111 Ų11189.2 Ų89.258%0.58147%0.472SS*.BIsolated β-bridgetrans-80.5118.9171.7-177.3147.2000109.1A221 I223A221-L230 HydrophobicContact CB-CD1 4.17Å; A221-L230 HydrophobicContact CB-CD2 3.8Å; A221-L230 HydrophobicContact CB-CG 3.95Å; I223-L230 HydrophobicContact CG1-CB 4.35Å; I223-L230 HydrophobicContact CG1-CD1 4.43Å; I223-L230 HydrophobicContact CG1-CG 4.44Å
231L86.3Confident84.7Confident8 Ų886.6 Ų86.64%0.04246%0.46CS..PPolyproline II helixtrans-102.3146.3-170.4-57.8171.1000111.2P222 C224 V229 L236 H239P222-L231 HydrophobicContact CG-CB 4.5Å; P222-L231 WeakPolarHBondContact O-CB 3.4Å; P222-L231 PolarHBondContact O-N 3.36Å; C224-L231 HydrophobicContact CB-CD1 4.11Å; V229-L231 HydrophobicContact CB-CD2 4.44Å; V229-L231 HydrophobicContact CG1-CD2 4.01Å; L231-L236 HydrophobicContact CD1-CD1 3.58Å; L231-H239 HydrophobicContact CD1-CB 4.15Å; L231-H239 HydrophobicContact CD2-CB 3.84Å
232R85.2Confident85.8Confident161 Ų16190.3 Ų90.361%0.60847%0.471SS*.PPolyproline II helixtrans-79.9149.4164.7-62.9-177.8169-153.5-4.6109.6S234 E235 L236R232-S234 PolarHBondContact O-N 3.26Å; R232-E235 HydrophobicContact CB-CB 4.38Å; R232-E235 HydrophobicContact CB-CG 4.27Å; R232-E235 WeakPolarHBondContact CB-OE2 3.5Å; R232-E235 WeakPolarHBondContact CD-OE1 3.47Å; R232-E235 WeakPolarHBondContact CG-OE2 3.15Å; R232-E235 PolarHBondContact O-N 3.48Å; R232-L236 PolarHBondContact O-N 2.9Å; R232-L236 VanDerWaalsContact O-N 3.12Å
233P80.8Confident86.4Confident103 Ų10389.2 Ų89.267%0.66946%0.462SS*.THydrogen-bonded Turntrans-54.5-29.1177.1-28.536000114.6
234S81.1Confident86.4Confident98 Ų9889.4 Ų89.469%0.68546%0.463SS*.THydrogen-bonded Turntrans-75.5-22.1175.552.80000114.7R232R232-S234 PolarHBondContact O-N 3.26Å
235E85.2Confident86.5Confident88 Ų8893.9 Ų93.941%0.41148%0.484SS..THydrogen-bonded Turntrans-103.1-10.7-174.5-67.4157.9-168.900111.5R232 Q237 H239R232-E235 HydrophobicContact CB-CB 4.38Å; R232-E235 HydrophobicContact CB-CG 4.27Å; R232-E235 WeakPolarHBondContact CB-OE2 3.5Å; R232-E235 WeakPolarHBondContact CD-OE1 3.47Å; R232-E235 WeakPolarHBondContact CG-OE2 3.15Å; R232-E235 PolarHBondContact O-N 3.48Å; E235-Q237 PolarHBondContact O-N 2.95Å; E235-H239 VanDerWaalsContact O-CB 3.27Å; E235-H239 WeakPolarHBondContact O-CB 3.38Å; E235-H239 PolarHBondContact O-N 2.85Å
236L85.8Confident86.7Confident74 Ų7492.6 Ų92.639%0.38747%0.467SS..Hα-helixtrans-59.5-44.1-176.5178.363.7000113.2P222 L231 R232 M240P222-L236 HydrophobicContact CB-CD1 4.39Å; P222-L236 HydrophobicContact CG-CD1 4.23Å; P222-L236 HydrophobicContact CG-CD2 4.2Å; L231-L236 HydrophobicContact CD1-CD1 3.58Å; R232-L236 PolarHBondContact O-N 2.9Å; R232-L236 VanDerWaalsContact O-N 3.12Å; L236-M240 WeakPolarHBondContact O-CB 3.25Å; L236-M240 PolarHBondContact O-N 3.21Å
237Q87.5Confident86.5Confident107 Ų10792.1 Ų92.150%0.547%0.465SS..Hα-helixtrans-67.5-50.3-177.6-176.665.92500111.5E235 H239 M240 E241E235-Q237 PolarHBondContact O-N 2.95Å; Q237-H239 VanDerWaalsContact C-N 3.33Å; Q237-H239 PolarHBondContact O-N 2.87Å; Q237-M240 PolarHBondContact O-N 3.4Å; Q237-E241 PolarHBondContact NE2-OE1 3.47Å; Q237-E241 WeakPolarHBondContact O-CG 3.38Å; Q237-E241 PolarHBondContact O-N 3.48Å
238E90.3Very high86.3Confident144 Ų14493.4 Ų93.467%0.67348%0.479SS*.Hα-helixtrans-62-41179.2-173.8176.4-170.700111.3E241 Q242E238-E241 PolarHBondContact O-N 3.1Å; E238-Q242 WeakPolarHBondContact O-CB 3.47Å; E238-Q242 PolarHBondContact O-N 2.72Å
239H90.5Very high85.9Confident25 Ų2592 Ų9212%0.11647%0.473CS..Hα-helixtrans-66.5-40.6175.7-174.371000112.8C224 C227 L231 E235 Q237 Q242 E243C224-H239 WeakPolarHBondContact CB-NE2 3.32Å; C224-H239 PolarHBondContact SG-NE2 3.22Å; C227-H239 PolarHBondContact SG-CE1 3.49Å; C227-H239 PolarHBondContact SG-NE2 3Å; L231-H239 HydrophobicContact CD1-CB 4.15Å; L231-H239 HydrophobicContact CD2-CB 3.84Å; E235-H239 VanDerWaalsContact O-CB 3.27Å; E235-H239 WeakPolarHBondContact O-CB 3.38Å; E235-H239 PolarHBondContact O-N 2.85Å; Q237-H239 VanDerWaalsContact C-N 3.33Å; Q237-H239 PolarHBondContact O-N 2.87Å; H239-Q242 PolarHBondContact O-N 2.83Å; H239-E243 IonicContact CE1-OE1 3.82Å; H239-E243 WeakPolarHBondContact O-CG 3.44Å; H239-E243 PolarHBondContact O-N 2.92Å
240M88.8Confident85.2Confident89 Ų8994.2 Ų94.244%0.43848%0.481SS..Hα-helixtrans-62.1-43.4175.2179.4-176.465.900111.5L236 Q237 Q242 E243 L244L236-M240 WeakPolarHBondContact O-CB 3.25Å; L236-M240 PolarHBondContact O-N 3.21Å; Q237-M240 PolarHBondContact O-N 3.4Å; M240-Q242 VanDerWaalsContact C-N 3.34Å; M240-E243 PolarHBondContact O-N 2.9Å; M240-L244 HydrophobicContact CG-CD1 4.16Å; M240-L244 WeakPolarHBondContact O-CB 3.39Å; M240-L244 VanDerWaalsContact O-CG 3.31Å; M240-L244 WeakPolarHBondContact O-CG 3.29Å; M240-L244 PolarHBondContact O-N 2.77Å
241E91.1Very high83.8Confident107 Ų10793.5 Ų93.550%0.548%0.483SS..Hα-helixtrans-63-40.4175.6-72.1171.4-166.700111.3Q237 E238 L244 E245Q237-E241 PolarHBondContact NE2-OE1 3.47Å; Q237-E241 WeakPolarHBondContact O-CG 3.38Å; Q237-E241 PolarHBondContact O-N 3.48Å; E238-E241 PolarHBondContact O-N 3.1Å; E241-L244 PolarHBondContact O-N 3.5Å; E241-E245 WeakPolarHBondContact O-CB 3.31Å; E241-E245 PolarHBondContact O-N 2.87Å
242Q89.4Confident82.5Confident115 Ų11599.2 Ų99.254%0.53752%0.524SS..Hα-helixtrans-64.7-38.8175.7-168.7-176.911.800113.3E238 H239 M240 Q246E238-Q242 WeakPolarHBondContact O-CB 3.47Å; E238-Q242 PolarHBondContact O-N 2.72Å; H239-Q242 PolarHBondContact O-N 2.83Å; M240-Q242 VanDerWaalsContact C-N 3.34Å; Q242-Q246 WeakPolarHBondContact O-CB 3.14Å; Q242-Q246 VanDerWaalsContact O-CG 3.3Å; Q242-Q246 WeakPolarHBondContact O-CG 3.42Å; Q242-Q246 PolarHBondContact O-N 2.77Å; Q242-Q246 PolarHBondContact O-NE2 3.29Å; Q242-Q246 VanDerWaalsContact O-NE2 3.09Å
243E91.8Very high80.6Confident22 Ų2296.1 Ų96.110%0.10353%0.527CS..Hα-helixtrans-71.2-38.6175.6-67.2-69.5115.200111.5I226 H239 M240 Q246 L247I226-E243 WeakPolarHBondContact CB-OE2 3.42Å; I226-E243 HydrophobicContact CD1-CB 4.13Å; I226-E243 WeakPolarHBondContact CG2-OE2 3.42Å; H239-E243 IonicContact CE1-OE1 3.82Å; H239-E243 WeakPolarHBondContact O-CG 3.44Å; H239-E243 PolarHBondContact O-N 2.92Å; M240-E243 PolarHBondContact O-N 2.9Å; E243-Q246 PolarHBondContact O-N 2.88Å; E243-Q246 PolarHBondContact OE1-NE2 3.01Å; E243-L247 WeakPolarHBondContact O-CB 3.4Å; E243-L247 VanDerWaalsContact O-CG 3.27Å; E243-L247 WeakPolarHBondContact O-CG 3.32Å; E243-L247 PolarHBondContact O-N 2.74Å
244L87.3Confident79.2Confident104 Ų104100.1 Ų100.155%0.54553%0.534SS..Hα-helixtrans-64.5-41.3174.2-72.7172000112.2M240 E241 L247 A248M240-L244 HydrophobicContact CG-CD1 4.16Å; M240-L244 WeakPolarHBondContact O-CB 3.39Å; M240-L244 VanDerWaalsContact O-CG 3.31Å; M240-L244 WeakPolarHBondContact O-CG 3.29Å; M240-L244 PolarHBondContact O-N 2.77Å; E241-L244 PolarHBondContact O-N 3.5Å; L244-L247 PolarHBondContact O-N 2.94Å; L244-A248 WeakPolarHBondContact O-CB 3.33Å; L244-A248 PolarHBondContact O-N 3.45Å
245E88.4Confident77.5Confident105 Ų105103.2 Ų103.249%0.49154%0.542SS..Hα-helixtrans-67.3-40.9176.4-175.959.2-147.600111.3E241 L247 A248 Q249E241-E245 WeakPolarHBondContact O-CB 3.31Å; E241-E245 PolarHBondContact O-N 2.87Å; E245-L247 VanDerWaalsContact C-N 3.32Å; E245-L247 PolarHBondContact O-N 3.46Å; E245-A248 PolarHBondContact O-N 2.77Å; E245-Q249 WeakPolarHBondContact O-CB 3.39Å; E245-Q249 VanDerWaalsContact O-CG 3.3Å; E245-Q249 WeakPolarHBondContact O-CG 3.4Å; E245-Q249 PolarHBondContact O-N 2.68Å; E245-Q249 PolarHBondContact OE1-NE2 3.36Å
246Q84.3Confident74.9Confident95 Ų95105 Ų10544%0.44456%0.564SS.*Hα-helixtrans-59.6-41.4171.1-78.7173.494.600112.2Q242 E243 Q249 L250Q242-Q246 WeakPolarHBondContact O-CB 3.14Å; Q242-Q246 VanDerWaalsContact O-CG 3.3Å; Q242-Q246 WeakPolarHBondContact O-CG 3.42Å; Q242-Q246 PolarHBondContact O-N 2.77Å; Q242-Q246 PolarHBondContact O-NE2 3.29Å; Q242-Q246 VanDerWaalsContact O-NE2 3.09Å; E243-Q246 PolarHBondContact O-N 2.88Å; E243-Q246 PolarHBondContact OE1-NE2 3.01Å; Q246-Q249 PolarHBondContact O-N 3.11Å; Q246-L250 PolarHBondContact O-N 2.8Å
247L79.9Confident72.9Confident92 Ų92108.6 Ų108.648%0.48258%0.583SS.*Hα-helixtrans-68.2-34.8175.9-71.9170.5000112.6I226 E243 L244 E245 L250I226-L247 HydrophobicContact CD1-CD1 4.18Å; E243-L247 WeakPolarHBondContact O-CB 3.4Å; E243-L247 VanDerWaalsContact O-CG 3.27Å; E243-L247 WeakPolarHBondContact O-CG 3.32Å; E243-L247 PolarHBondContact O-N 2.74Å; L244-L247 PolarHBondContact O-N 2.94Å; E245-L247 VanDerWaalsContact C-N 3.32Å; E245-L247 PolarHBondContact O-N 3.46Å; L247-L250 HydrophobicContact CD2-CD1 4.21Å; L247-L250 PolarHBondContact O-N 2.89Å
248A80.8Confident70.9Confident78 Ų78110.9 Ų110.965%0.64560%0.598SS**Hα-helixtrans-71.8-32.2174.900000112.7L244 E245 L250L244-A248 WeakPolarHBondContact O-CB 3.33Å; L244-A248 PolarHBondContact O-N 3.45Å; E245-A248 PolarHBondContact O-N 2.77Å; A248-L250 VanDerWaalsContact C-N 3.3Å; A248-L250 PolarHBondContact O-N 3.43Å
249Q75.4Confident68.1Low132 Ų132114 Ų11462%0.61761%0.609SS**THydrogen-bonded Turntrans-79-6.2176-71.9-178.424.100114.1E245 Q246 P251E245-Q249 WeakPolarHBondContact O-CB 3.39Å; E245-Q249 VanDerWaalsContact O-CG 3.3Å; E245-Q249 WeakPolarHBondContact O-CG 3.4Å; E245-Q249 PolarHBondContact O-N 2.68Å; E245-Q249 PolarHBondContact OE1-NE2 3.36Å; Q246-Q249 PolarHBondContact O-N 3.11Å; Q249-P251 WeakPolarHBondContact O-CD 3.49Å
250L71.4Confident65.4Low120 Ų120120.1 Ų120.163%0.62864%0.643SS**SBendtrans-73.2105.9165.3-69.8175.3000108.9Q246 L247 A248 S252Q246-L250 PolarHBondContact O-N 2.8Å; L247-L250 HydrophobicContact CD2-CD1 4.21Å; L247-L250 PolarHBondContact O-N 2.89Å; A248-L250 VanDerWaalsContact C-N 3.3Å; A248-L250 PolarHBondContact O-N 3.43Å; L250-S252 PolarHBondContact O-N 3.24Å
251P57.5Low62.9Low96 Ų96120.3 Ų120.362%0.62366%0.659SS**  trans-61.9145175.628.7-35.8000109.4Q249 S253Q249-P251 WeakPolarHBondContact O-CD 3.49Å; P251-S253 WeakPolarHBondContact CB-OG 3.48Å; P251-S253 WeakPolarHBondContact CG-OG 3.5Å; P251-S253 PolarHBondContact O-N 3.49Å
252S59.2Low60Low129 Ų129124.5 Ų124.590%0.90268%0.681SS**  trans-70.857.3177.360.90000112.2L250 K254L250-S252 PolarHBondContact O-N 3.24Å; S252-K254 PolarHBondContact O-N 3.45Å; S252-K254 VanDerWaalsContact O-N 3.09Å
253S46.3Very low57.3Low95 Ų95123.4 Ų123.466%0.66469%0.691SS**  trans-87.774.4-167.1-67.90000111.7P251P251-S253 WeakPolarHBondContact CB-OG 3.48Å; P251-S253 WeakPolarHBondContact CG-OG 3.5Å; P251-S253 PolarHBondContact O-N 3.49Å
254K51.2Low54.9Low188 Ų188128.6 Ų128.682%0.81773%0.727SS**  trans-77.6123.5153.1-74.1-178.4178.9175.20108.3S252S252-K254 PolarHBondContact O-N 3.45Å; S252-K254 VanDerWaalsContact O-N 3.09Å
255N44.8Very low52Low162 Ų162127.3 Ų127.387%0.86674%0.739SS**  trans82.595.4175.7-45-63.3000117.1
256S31.9Very low49.6Very low125 Ų125127.8 Ų127.887%0.87475%0.749SS**  -155.1129.4126.1-168.50000110
257L42.9Very low47.8Very low150 Ų150128.9 Ų128.979%0.78577%0.765SS**  trans-117.7135.7175.3-123.3173.1000107.8
258L44.8Very low45.8Very low156 Ų156133.2 Ų133.282%0.81778%0.78SS**  trans70.6106.5168.2-48.8175.5000118.3
259K32.4Very low43.4Very low208 Ų208134.7 Ų134.790%0.90479%0.786SS**  -163.6153.3118.9-147.6162.7-178.9175.80113
260D34.3Very low41.4Very low155 Ų155136.3 Ų136.383%0.82980%0.798SS**  trans-85.9157.8-165.1-61-79.8000118.5
261A35.5Very low39.6Very low93 Ų93138.1 Ų138.177%0.76981%0.807SS**  trans60.811314000000122.6
262M30.2Very low38.3Very low194 Ų194142 Ų14296%0.95682%0.821SS**  -178.6153.199.3-101.4-170.4160.300113
263A32.4Very low37Very low92 Ų92140.4 Ų140.476%0.7681%0.811SS**  trans-87.2-178.8173.500000110.7
264P41.2Very low36.2Very low132 Ų132141.1 Ų141.186%0.85782%0.822SS**  cis-143.6171.314.343-23.5000118.6
265G28Very low35.3Very low77 Ų77137.5 Ų137.579%0.79482%0.821SS**  trans170.7113.4162.900000114.5
266T37.4Very low34.7Very low115 Ų115138.2 Ų138.271%0.70682%0.822SS**  trans-128.3156.7170.764.70000109.6
267P46.1Very low34.8Very low118 Ų118139.9 Ų139.977%0.76681%0.814SS**  -138.9130.991.120.61.1000114
268K37.9Very low34.4Very low182 Ų182143.8 Ų143.879%0.79182%0.818SS**  67.8114.891-66.2-169.6-175.472.70116.9
269S30.2Very low33.7Very low110 Ų110143.6 Ų143.677%0.76981%0.813SS**  trans-15594.9142.2-170.50000112.9
270L33Very low33.8Very low166 Ų166137 Ų13787%0.86980%0.804SS**  trans54.8104.7136.3-55.6180000121.6
271L34.9Very low33.5Very low157 Ų157139.1 Ų139.182%0.82281%0.809SS**  trans-78.6152.9155-77.9166000111.8
272L29.4Very low33.2Very low177 Ų177140.3 Ų140.393%0.92781%0.811SS**  trans-144.4109.5144.8-167.769.5000110.5
273S32.4Very low34.5Very low97 Ų97136.5 Ų136.568%0.67880%0.801SS**  trans-121.9132.3169.947.40000109.1
274A29.6Very low34.4Very low109 Ų109139.4 Ų139.490%0.90181%0.81SS**  trans-97.2132.5177.900000110.6
275S31.7Very low33.8Very low113 Ų113137.1 Ų137.179%0.7980%0.802SS**  trans-89.7145-167.4-35.30000113.6
276I32.9Very low34Very low177 Ų177138.8 Ų138.891%0.90880%0.802SS**  trans-127140.2145.4-66-174000108.8
277K34Very low34.5Very low159 Ų159138 Ų13869%0.69180%0.798SS**  trans-108.4139.2-159.3-174.6-174-174.8-163.80111.5E279K277-E279 WeakPolarHBondContact CE-OE1 3.44Å; K277-E279 IonicContact NZ-OE1 3.91Å
278R34.2Very low33.9Very low232 Ų232140.6 Ų140.688%0.87580%0.8SS**  trans-169.2116.5137.5-96.6155.5-145.1-119.48.1109
279E30.9Very low33.9Very low153 Ų153137.9 Ų137.972%0.71580%0.804SS**  50113.8102.9-41.6-55.7132.800112.4K277K277-E279 WeakPolarHBondContact CE-OE1 3.44Å; K277-E279 IonicContact NZ-OE1 3.91Å
280G34.2Very low34.5Very low69 Ų69136.8 Ų136.871%0.71180%0.796SS**  cis-178-176.8-1.900000112.1
281E26.8Very low35.2Very low200 Ų200133.2 Ų133.294%0.93579%0.791SS**  trans76.5140.8170.3-59.4-174.6132.800120.8
282S30.1Very low35.9Very low117 Ų117130.9 Ų130.982%0.81878%0.783SS**  trans-168.4171.4179.1-65.40000106
283P57Low36.8Very low114 Ų114127.7 Ų127.774%0.7477%0.767SS**  cis-131.9176-2.541.2-25.8000114.2
284T29.9Very low37.8Very low153 Ų153128.8 Ų128.894%0.93977%0.765SS**  trans-169.8165.6132140000111.6
285A30.2Very low38.9Very low85 Ų85130 Ų13070%0.70276%0.756SS**  trans-92.1141.2-151.400000117.3
286S30.9Very low40.1Very low112 Ų112130.8 Ų130.878%0.78375%0.747SS**  66.8164.1125.2-61.90000121.7
287P49.3Very low41.1Very low98 Ų98128 Ų12864%0.63673%0.73SS**  cis-132.3177.6-46.631.7-12.9000113.8
288H32.7Very low42.8Very low173 Ų173123.6 Ų123.680%0.80172%0.719SS**  trans86.8143.7169.4-52.7-76.3000119.5
289S38.6Very low45Very low124 Ų124117.2 Ų117.287%0.86770%0.702SS**  trans8456.8165.3-48.20000119.4
290S42.1Very low47.5Very low87 Ų87118.8 Ų118.861%0.60870%0.701SS**  trans-148.98.7170.465.50000118.2T292S290-T292 VanDerWaalsContact C-N 3.34Å; S290-T292 PolarHBondContact O-N 2.99Å
291A47Very low50Low92 Ų92122 Ų12276%0.7669%0.693SS**THydrogen-bonded Turntrans-72.5-22.2-17700000114.7
292T49.5Very low52.9Low107 Ų107117.3 Ų117.366%0.65667%0.671SS**THydrogen-bonded Turntrans-89.9-32.5-178.848.30000113.2S290 H296S290-T292 VanDerWaalsContact C-N 3.34Å; S290-T292 PolarHBondContact O-N 2.99Å; T292-H296 PolarHBondContact O-CD2 3.35Å; T292-H296 PolarHBondContact O-N 3.22Å
293D49.9Very low55.7Low111 Ų111114.8 Ų114.859%0.59465%0.651SS**Hα-helixtrans-72.1-39.5-174.9-151.4-97000111.9L295 H296 H297D293-L295 VanDerWaalsContact C-N 3.3Å; D293-L295 PolarHBondContact O-N 3.26Å; D293-H296 PolarHBondContact O-N 2.88Å; D293-H296 VanDerWaalsContact O-N 3.17Å; D293-H297 PolarHBondContact O-N 2.88Å
294D51.9Low57.4Low120 Ų120114.6 Ų114.664%0.64264%0.639SS**Hα-helixtrans-61.5-37.4178.9-137.8-36.2000112H297 S298D294-H297 PolarHBondContact O-N 2.93Å; D294-S298 WeakPolarHBondContact O-CB 3.35Å; D294-S298 PolarHBondContact O-N 2.99Å
295L53Low60.4Low134 Ų134110.5 Ų110.570%0.70261%0.611SS**Hα-helixtrans-65.7-41.7176.7-141.175.7000111.7D293 D299D293-L295 VanDerWaalsContact C-N 3.3Å; D293-L295 PolarHBondContact O-N 3.26Å; L295-D299 PolarHBondContact O-N 2.76Å; L295-D299 VanDerWaalsContact O-N 3.13Å
296H56.1Low63.4Low130 Ų130114.9 Ų114.960%0.60261%0.609SS**Hα-helixtrans-71.7-31174.6-72.1-59000112.9T292 D293 R300T292-H296 PolarHBondContact O-CD2 3.35Å; T292-H296 PolarHBondContact O-N 3.22Å; D293-H296 PolarHBondContact O-N 2.88Å; D293-H296 VanDerWaalsContact O-N 3.17Å; H296-R300 VanDerWaalsContact O-CB 3.25Å; H296-R300 WeakPolarHBondContact O-CB 3.27Å; H296-R300 PolarHBondContact O-N 3.25Å
297H55.2Low66.5Low118 Ų118113.9 Ų113.955%0.54660%0.598SS.*Hα-helixtrans-68.1-41.1174.2-149.195000111.3D293 D294 Y301D293-H297 PolarHBondContact O-N 2.88Å; D294-H297 PolarHBondContact O-N 2.93Å; H297-Y301 VanDerWaalsContact O-CB 3.31Å; H297-Y301 WeakPolarHBondContact O-CB 3.18Å; H297-Y301 PolarHBondContact O-N 3.2Å
298S69.8Low68.5Low66 Ų66117 Ų11746%0.46260%0.597SS.*Hα-helixtrans-61.1-49174.5-173.60000112.4D294 Y301 Q302D294-S298 WeakPolarHBondContact O-CB 3.35Å; D294-S298 PolarHBondContact O-N 2.99Å; S298-Y301 PolarHBondContact O-N 2.73Å; S298-Q302 WeakPolarHBondContact O-CG 3.42Å; S298-Q302 PolarHBondContact O-N 2.68Å
299D79.7Confident71.2Confident98 Ų98111.4 Ų111.452%0.52458%0.581SS.*Hα-helixtrans-66.2-39.4178.7-177.251.1000112.8L295 Y301 Q302 T303L295-D299 PolarHBondContact O-N 2.76Å; L295-D299 VanDerWaalsContact O-N 3.13Å; D299-Y301 VanDerWaalsContact C-N 3.32Å; D299-Y301 PolarHBondContact O-N 3.08Å; D299-Q302 PolarHBondContact O-N 2.8Å; D299-T303 WeakPolarHBondContact O-CB 3.36Å; D299-T303 PolarHBondContact O-N 2.65Å; D299-T303 PolarHBondContact O-OG1 2.95Å
300R82.9Confident73.6Confident186 Ų186110.2 Ų110.270%0.70257%0.565SS**Hα-helixtrans-61.7-40.1172.4-172.5-178.1-67-1741.2111.6H296 T303 F304H296-R300 VanDerWaalsContact O-CB 3.25Å; H296-R300 WeakPolarHBondContact O-CB 3.27Å; H296-R300 PolarHBondContact O-N 3.25Å; R300-T303 PolarHBondContact O-N 2.75Å; R300-F304 WeakPolarHBondContact O-CB 3.45Å; R300-F304 PolarHBondContact O-N 3.47Å
301Y87.3Confident75.9Confident136 Ų136114.3 Ų114.353%0.53357%0.567SS.*Hα-helixtrans-69.1-42.3177.3-174.2-106.6000112.3H297 S298 D299 T303 F304 L305H297-Y301 VanDerWaalsContact O-CB 3.31Å; H297-Y301 WeakPolarHBondContact O-CB 3.18Å; H297-Y301 PolarHBondContact O-N 3.2Å; S298-Y301 PolarHBondContact O-N 2.73Å; D299-Y301 VanDerWaalsContact C-N 3.32Å; D299-Y301 PolarHBondContact O-N 3.08Å; Y301-T303 VanDerWaalsContact C-N 3.33Å; Y301-T303 PolarHBondContact O-N 2.98Å; Y301-F304 WeakPolarHBondContact O-CB 3.32Å; Y301-F304 PolarHBondContact O-N 2.71Å; Y301-L305 HydrophobicContact CD1-CD1 3.99Å; Y301-L305 HydrophobicContact CD1-CG 4.34Å; Y301-L305 HydrophobicContact CE1-CD1 3.58Å; Y301-L305 HydrophobicContact CE1-CD2 4.42Å; Y301-L305 HydrophobicContact CE1-CG 4.03Å; Y301-L305 WeakPolarHBondContact O-CG 3.35Å; Y301-L305 PolarHBondContact O-N 3.47Å
302Q88.6Confident77.9Confident103 Ų103114.5 Ų114.548%0.48155%0.552SS.*Hα-helixtrans-59.9-42.9172.7-73.4-71.26.600111.9S298 D299 L305 R306S298-Q302 WeakPolarHBondContact O-CG 3.42Å; S298-Q302 PolarHBondContact O-N 2.68Å; D299-Q302 PolarHBondContact O-N 2.8Å; Q302-L305 PolarHBondContact O-N 2.99Å; Q302-R306 WeakPolarHBondContact O-CB 3.36Å; Q302-R306 PolarHBondContact O-N 3.26Å
303T88.4Confident79.5Confident63 Ų63114 Ų11439%0.38755%0.549SS..Hα-helixtrans-61.5-43.9173.9-65.90000111.5D299 R300 Y301 R306 V307D299-T303 WeakPolarHBondContact O-CB 3.36Å; D299-T303 PolarHBondContact O-N 2.65Å; D299-T303 PolarHBondContact O-OG1 2.95Å; R300-T303 PolarHBondContact O-N 2.75Å; Y301-T303 VanDerWaalsContact C-N 3.33Å; Y301-T303 PolarHBondContact O-N 2.98Å; T303-R306 PolarHBondContact O-N 2.64Å; T303-V307 HydrophobicContact CG2-CG2 4.48Å; T303-V307 WeakPolarHBondContact O-CG2 3.09Å; T303-V307 PolarHBondContact O-N 3Å
304F92.2Very high81Confident111 Ų111115.3 Ų115.349%0.48755%0.545SS..Hα-helixtrans-60.1-45.5174.5170.6-100.9000112.6R300 Y301 R306 V307 R308R300-F304 WeakPolarHBondContact O-CB 3.45Å; R300-F304 PolarHBondContact O-N 3.47Å; Y301-F304 WeakPolarHBondContact O-CB 3.32Å; Y301-F304 PolarHBondContact O-N 2.71Å; F304-R306 PolarHBondContact O-N 3.5Å; F304-V307 PolarHBondContact O-N 3.48Å; F304-R308 VanDerWaalsContact O-CB 3.27Å; F304-R308 WeakPolarHBondContact O-CB 3.5Å; F304-R308 PolarHBondContact O-N 3.38Å
305L94.2Very high82.1Confident66 Ų66113.3 Ų113.335%0.34653%0.534SS..Hα-helixtrans-60.7-43.5176.2-70.2-179.9000111.7Y301 Q302 R308 A309Y301-L305 HydrophobicContact CD1-CD1 3.99Å; Y301-L305 HydrophobicContact CD1-CG 4.34Å; Y301-L305 HydrophobicContact CE1-CD1 3.58Å; Y301-L305 HydrophobicContact CE1-CD2 4.42Å; Y301-L305 HydrophobicContact CE1-CG 4.03Å; Y301-L305 WeakPolarHBondContact O-CG 3.35Å; Y301-L305 PolarHBondContact O-N 3.47Å; Q302-L305 PolarHBondContact O-N 2.99Å; L305-R308 PolarHBondContact O-N 3.06Å; L305-A309 WeakPolarHBondContact O-CB 3.14Å; L305-A309 PolarHBondContact O-N 3.5Å
306R93.1Very high83.1Confident178 Ų178111.1 Ų111.167%0.67252%0.523SS*.Hα-helixtrans-61.6-46.8176.8-166.3-175.6-60.6166.54.3111.8Q302 T303 F304 A309 N310Q302-R306 WeakPolarHBondContact O-CB 3.36Å; Q302-R306 PolarHBondContact O-N 3.26Å; T303-R306 PolarHBondContact O-N 2.64Å; F304-R306 PolarHBondContact O-N 3.5Å; R306-A309 PolarHBondContact O-N 2.84Å; R306-N310 WeakPolarHBondContact O-CB 3.37Å; R306-N310 PolarHBondContact O-N 3.36Å
307V94.8Very high83.7Confident90 Ų90107.7 Ų107.755%0.54552%0.517SS..Hα-helixtrans-64-40.5176.6170.90000111.3T303 F304 N310 R311T303-V307 HydrophobicContact CG2-CG2 4.48Å; T303-V307 WeakPolarHBondContact O-CG2 3.09Å; T303-V307 PolarHBondContact O-N 3Å; F304-V307 PolarHBondContact O-N 3.48Å; V307-N310 PolarHBondContact O-N 2.88Å; V307-R311 WeakPolarHBondContact O-CB 3.49Å; V307-R311 PolarHBondContact O-N 2.73Å
308R92.3Very high84.2Confident164 Ų164109.1 Ų109.162%0.61952%0.518SS*.Hα-helixtrans-63-46.8176.4-176176.1-179.6160.30.1111.7F304 L305 R311 Q312F304-R308 VanDerWaalsContact O-CB 3.27Å; F304-R308 WeakPolarHBondContact O-CB 3.5Å; F304-R308 PolarHBondContact O-N 3.38Å; L305-R308 PolarHBondContact O-N 3.06Å; R308-R311 PolarHBondContact O-N 3.02Å; R308-Q312 WeakPolarHBondContact O-CB 3.39Å; R308-Q312 PolarHBondContact O-N 3.2Å
309A88.5Confident83.9Confident56 Ų56111.3 Ų111.346%0.46352%0.523SS..Hα-helixtrans-61.5-46176.200000111.6L305 R306 R311 Q312 T313L305-A309 WeakPolarHBondContact O-CB 3.14Å; L305-A309 PolarHBondContact O-N 3.5Å; R306-A309 PolarHBondContact O-N 2.84Å; A309-R311 PolarHBondContact O-N 3.03Å; A309-Q312 PolarHBondContact O-N 2.89Å; A309-T313 PolarHBondContact O-N 3.06Å; A309-T313 PolarHBondContact O-OG1 3.14Å; A309-T313 VanDerWaalsContact O-OG1 3.08Å
310N89.3Confident82.8Confident99 Ų99108.7 Ų108.753%0.52952%0.519SS..Hα-helixtrans-64.2-42.3179-160.1-65.9000112R306 V307 Q312 T313 R314R306-N310 WeakPolarHBondContact O-CB 3.37Å; R306-N310 PolarHBondContact O-N 3.36Å; V307-N310 PolarHBondContact O-N 2.88Å; N310-Q312 PolarHBondContact O-N 3.01Å; N310-T313 PolarHBondContact O-N 3.06Å; N310-R314 WeakPolarHBondContact O-CG 3.48Å; N310-R314 PolarHBondContact O-N 2.85Å
311R90.8Very high81.4Confident173 Ų173107.9 Ų107.965%0.65352%0.521SS*.Hα-helixtrans-59.7-43.6172.1-179.4179.5-83.5-131.82.1111.5V307 R308 A309 R314 L315V307-R311 WeakPolarHBondContact O-CB 3.49Å; V307-R311 PolarHBondContact O-N 2.73Å; R308-R311 PolarHBondContact O-N 3.02Å; A309-R311 PolarHBondContact O-N 3.03Å; R311-R314 PolarHBondContact O-N 3.21Å; R311-L315 HydrophobicContact CG-CD1 4.23Å; R311-L315 WeakPolarHBondContact O-CG 3.09Å; R311-L315 PolarHBondContact O-N 2.82Å
312Q87.9Confident79.6Confident96 Ų96108.6 Ų108.645%0.44953%0.531SS..Hα-helixtrans-62.8-43.9177.7-169.163.950.300111.8R308 A309 N310 R314 L315 N316R308-Q312 WeakPolarHBondContact O-CB 3.39Å; R308-Q312 PolarHBondContact O-N 3.2Å; A309-Q312 PolarHBondContact O-N 2.89Å; N310-Q312 PolarHBondContact O-N 3.01Å; Q312-R314 VanDerWaalsContact C-N 3.34Å; Q312-R314 PolarHBondContact O-N 2.74Å; Q312-L315 PolarHBondContact O-N 2.89Å; Q312-N316 PolarHBondContact NE2-OD1 3.32Å; Q312-N316 WeakPolarHBondContact O-CB 3.29Å; Q312-N316 VanDerWaalsContact O-CG 3.25Å; Q312-N316 PolarHBondContact O-N 3.48Å; Q312-N316 PolarHBondContact O-OD1 3.45Å
313T83.2Confident77.9Confident95 Ų95111.4 Ų111.458%0.58354%0.542SS*.Hα-helixtrans-59.3-44.2175.6-57.90000111.4A309 N310 L315 N316 A317A309-T313 PolarHBondContact O-N 3.06Å; A309-T313 PolarHBondContact O-OG1 3.14Å; A309-T313 VanDerWaalsContact O-OG1 3.08Å; N310-T313 PolarHBondContact O-N 3.06Å; T313-L315 PolarHBondContact O-N 2.82Å; T313-N316 PolarHBondContact O-N 2.61Å; T313-A317 WeakPolarHBondContact O-CB 3.46Å; T313-A317 PolarHBondContact O-N 3.02Å
314R81.5Confident76.1Confident139 Ų139119.5 Ų119.553%0.52557%0.565SS.*Hα-helixtrans-65.2-34.4176.7-70.117871.2-115.79.5113.2N310 R311 Q312 R318N310-R314 WeakPolarHBondContact O-CG 3.48Å; N310-R314 PolarHBondContact O-N 2.85Å; R311-R314 PolarHBondContact O-N 3.21Å; Q312-R314 VanDerWaalsContact C-N 3.34Å; Q312-R314 PolarHBondContact O-N 2.74Å; R314-R318 WeakPolarHBondContact O-CG 3.14Å; R314-R318 PolarHBondContact O-N 3.04Å
315L76.4Confident73.9Confident79 Ų79125.3 Ų125.341%0.41458%0.584SS.*Hα-helixtrans-69.4-48.5173.6-71.6170000111.1R311 Q312 T313 A317 R318 I319R311-L315 HydrophobicContact CG-CD1 4.23Å; R311-L315 WeakPolarHBondContact O-CG 3.09Å; R311-L315 PolarHBondContact O-N 2.82Å; Q312-L315 PolarHBondContact O-N 2.89Å; T313-L315 PolarHBondContact O-N 2.82Å; L315-A317 VanDerWaalsContact C-N 3.3Å; L315-A317 PolarHBondContact O-N 2.88Å; L315-R318 PolarHBondContact O-N 3.39Å; L315-I319 WeakPolarHBondContact O-CG1 3.2Å; L315-I319 PolarHBondContact O-N 2.94Å
316N73.1Confident71.6Confident87 Ų87131.4 Ų131.447%0.46561%0.607SS.*Hα-helixtrans-60.5-38.8178.8-68.3-0.8000111.9Q312 T313 R318 I319 G320Q312-N316 PolarHBondContact NE2-OD1 3.32Å; Q312-N316 WeakPolarHBondContact O-CB 3.29Å; Q312-N316 VanDerWaalsContact O-CG 3.25Å; Q312-N316 PolarHBondContact O-N 3.48Å; Q312-N316 PolarHBondContact O-OD1 3.45Å; T313-N316 PolarHBondContact O-N 2.61Å; N316-R318 VanDerWaalsContact C-N 3.32Å; N316-R318 PolarHBondContact O-N 3.2Å; N316-I319 PolarHBondContact O-N 2.97Å; N316-G320 PolarHBondContact O-N 3.11Å
317A68.7Low69.4Low58 Ų58131.7 Ų131.748%0.47962%0.617SS.*Hα-helixtrans-64.9-30.6175.500000113.6T313 L315T313-A317 WeakPolarHBondContact O-CB 3.46Å; T313-A317 PolarHBondContact O-N 3.02Å; L315-A317 VanDerWaalsContact C-N 3.3Å; L315-A317 PolarHBondContact O-N 2.88Å
318R64.8Low66.8Low148 Ų148134.8 Ų134.856%0.55863%0.63SS**Hα-helixtrans-74.6-44.8172.3-67.3174.1-167.3-163.90.9111.3R314 L315 N316 G320 K321 M322R314-R318 WeakPolarHBondContact O-CG 3.14Å; R314-R318 PolarHBondContact O-N 3.04Å; L315-R318 PolarHBondContact O-N 3.39Å; N316-R318 VanDerWaalsContact C-N 3.32Å; N316-R318 PolarHBondContact O-N 3.2Å; R318-G320 VanDerWaalsContact C-N 3.32Å; R318-G320 PolarHBondContact O-N 3.27Å; R318-K321 PolarHBondContact O-N 2.98Å; R318-K321 VanDerWaalsContact O-N 3.16Å; R318-M322 PolarHBondContact O-N 3.02Å
319I63.5Low64.1Low112 Ų112135.9 Ų135.957%0.57464%0.642SS**Hα-helixtrans-59.7-42.2178.6-66.5163.7000110.9L315 N316 K321 M322 K323L315-I319 WeakPolarHBondContact O-CG1 3.2Å; L315-I319 PolarHBondContact O-N 2.94Å; N316-I319 PolarHBondContact O-N 2.97Å; I319-K321 VanDerWaalsContact C-N 3.32Å; I319-K321 PolarHBondContact O-N 3.41Å; I319-M322 PolarHBondContact O-N 2.76Å; I319-K323 PolarHBondContact O-N 3.28Å
320G56.8Low61.5Low43 Ų43136.6 Ų136.644%0.44366%0.655SS.*Hα-helixtrans-61.3-33.8176.300000114.4N316 R318N316-G320 PolarHBondContact O-N 3.11Å; R318-G320 VanDerWaalsContact C-N 3.32Å; R318-G320 PolarHBondContact O-N 3.27Å
321K54.8Low58.9Low170 Ų170141.1 Ų141.174%0.73967%0.673SS**Hα-helixtrans-74.6-29.6177.6-72-175.1179.2-170.20113.2R318 I319R318-K321 PolarHBondContact O-N 2.98Å; R318-K321 VanDerWaalsContact O-N 3.16Å; I319-K321 VanDerWaalsContact C-N 3.32Å; I319-K321 PolarHBondContact O-N 3.41Å
322M49.3Very low56.1Low150 Ų150143.1 Ų143.174%0.73968%0.681SS**Hα-helixtrans-81.2-30178.8-53.7-142.480.700112.7R318 I319 R324 R325R318-M322 PolarHBondContact O-N 3.02Å; I319-M322 PolarHBondContact O-N 2.76Å; M322-R324 PolarHBondContact O-N 2.86Å; M322-R325 PolarHBondContact O-N 3Å
323K52.6Low53.5Low163 Ų163145.9 Ų145.971%0.70969%0.693SS**Hα-helixtrans-67.3-33.5176.7-168.1173.3179.1-178.90113.1I319 R325 K326I319-K323 PolarHBondContact O-N 3.28Å; K323-R325 PolarHBondContact O-N 3.44Å; K323-K326 PolarHBondContact O-N 3.44Å
324R50.1Low50.9Low232 Ų232144.5 Ų144.588%0.87570%0.699SS**THydrogen-bonded Turntrans-70.4-9.3176.9-85.4-169.3174.9-177-1.2115.2M322M322-R324 PolarHBondContact O-N 2.86Å
325R47Very low48.3Very low234 Ų234143.7 Ų143.788%0.88371%0.714SS**THydrogen-bonded Turntrans-99.46.3175.8-92-172173-175.6-2.8114.2M322 K323M322-R325 PolarHBondContact O-N 3Å; K323-R325 PolarHBondContact O-N 3.44Å
326K44.6Very low45.8Very low193 Ų193144.2 Ų144.284%0.83972%0.723SS**SBendtrans-121.428.4-175.6-150.2-163.8176.5-173.70113.9K323K323-K326 PolarHBondContact O-N 3.44Å
327Q46.6Very low43.6Very low185 Ų185148.3 Ų148.386%0.86474%0.742SS**SBendtrans-146.446.6175.4-160.6-178.4-200110.7
328D40.8Very low41.9Very low154 Ų154149.2 Ų149.282%0.82475%0.749SS**SBendtrans-147.660.1168.6-166.835.4000109.9
329E36.3Very low40.5Very low187 Ų187149.6 Ų149.687%0.87476%0.757SS**SBendtrans-156.1125.3154.3-98.5-154.3116.200108.3
330G33.9Very low39Very low72 Ų72151.3 Ų151.374%0.74277%0.768SS**  trans94.690.8168.700000116.7
331Q33.4Very low38Very low194 Ų194156.6 Ų156.691%0.90779%0.785SS**  -163.8110.1122.2-155.181.8-3.100110.8
332R32.3Very low37.1Very low215 Ų215153 Ų15381%0.81179%0.787SS**  trans-122135.9161.6-152.8-150.7-172.8-155.811.9102.2
333E32.7Very low37Very low153 Ų153152.2 Ų152.272%0.71579%0.791SS**  cis-147171.429.5-68.2163.6162.100107.3
334G28.9Very low36.2Very low67 Ų67151.1 Ų151.169%0.69179%0.793SS**  cis168.9-174.20.300000109.9
335S26.9Very low36Very low122 Ų122147.4 Ų147.485%0.85379%0.789SS**  trans71.8139171.6-137.80000116.1
336C24Very low35.5Very low89 Ų89144.8 Ų144.860%0.60179%0.786SS**  cis-173.1161.2-11.547.50000109.8
337M28.3Very low35.5Very low174 Ų174144.2 Ų144.286%0.85779%0.786SS**  trans66.4150.2166.5-46.7-42.5177.700116.1
338A32.9Very low35Very low76 Ų76144.1 Ų144.163%0.62879%0.786SS**  cis-155.5175.6-1000000108.9
339E34.6Very low35.2Very low157 Ų157144 Ų14473%0.73479%0.785SS**  trans-44.3160.7158.152.5-96.376.100113.4
340D32.1Very low35.3Very low148 Ų148141.7 Ų141.779%0.79178%0.779SS**  cis-166.3-179.141.7-129.7-29.5000113.3
341D35.9Very low36.2Very low153 Ų153142.9 Ų142.982%0.81877%0.768SS**  trans-56.6145.6171.7-91.8-56.7000115.3
342A36.3Very low37.3Very low94 Ų94145 Ų14578%0.77777%0.768SS**  trans-169.6131.4133.600000112
343V46.1Very low38.7Very low135 Ų135138.8 Ų138.882%0.81875%0.747SS**  trans-85.2127.4163.9-156.60000107.5
344D36Very low40.1Very low139 Ų139135.8 Ų135.874%0.74373%0.733SS**  trans-130.7131.6167-160.74.7000110.4
345I45.5Very low42.4Very low154 Ų154137.4 Ų137.479%0.7972%0.723SS**  trans-11787.6-179.7-59175.8000106.6
346E37Very low44.7Very low179 Ų179136 Ų13684%0.83670%0.699SS**  trans-128.8146.8160.3-71.8-150.8-161.400112.6
347H45.6Very low47.5Very low181 Ų181137.3 Ų137.384%0.83870%0.697SS**  trans-96.6102-162.1164.8-165.4000109.6
348E35Very low49.5Very low184 Ų184136.6 Ų136.686%0.8668%0.684SS**  trans-124.9130.7160.9-85.5-146.212400113.4N350E348-N350 PolarHBondContact O-N 3.24Å; E348-N350 VanDerWaalsContact O-N 3.07Å
349N46.4Very low51.1Low151 Ų151138.2 Ų138.281%0.80769%0.69SS**  trans-56.2101.8170.316761.9000111.1
350N38.2Very low52.9Low138 Ų138133.7 Ų133.774%0.73869%0.686SS**  trans-136.4110.5173.8-157.6-10.2000110.8E348 R352E348-N350 PolarHBondContact O-N 3.24Å; E348-N350 VanDerWaalsContact O-N 3.07Å; N350-R352 VanDerWaalsContact C-N 3.34Å; N350-R352 PolarHBondContact O-N 2.98Å
351N52.9Low53.7Low98 Ų98132.5 Ų132.552%0.52468%0.676SS.*  trans-61.996.1171.2-93.2-6000108.8F353N351-F353 HydrophobicContact CB-CD1 4.44Å; N351-F353 HydrophobicContact CB-CD2 4.3Å; N351-F353 HydrophobicContact CB-CE1 3.88Å; N351-F353 HydrophobicContact CB-CE2 3.73Å; N351-F353 HydrophobicContact CB-CZ 3.5Å; N351-F353 WeakPolarHBondContact O-CD2 3.26Å; N351-F353 PolarHBondContact O-N 3.45Å
352R55.1Low56Low237 Ų237131.2 Ų131.289%0.89466%0.663SS**  trans-72.274.9176.2-172.2176.1175.3157.7-0.8110.1N350 E354N350-R352 VanDerWaalsContact C-N 3.34Å; N350-R352 PolarHBondContact O-N 2.98Å; R352-E354 PolarHBondContact O-N 3.25Å
353F61.4Low58Low85 Ų85132.6 Ų132.637%0.37365%0.648SS.*  trans-55.6122.2170.2-59.6-61.3000109N351 E355 I364 T368 L369N351-F353 HydrophobicContact CB-CD1 4.44Å; N351-F353 HydrophobicContact CB-CD2 4.3Å; N351-F353 HydrophobicContact CB-CE1 3.88Å; N351-F353 HydrophobicContact CB-CE2 3.73Å; N351-F353 HydrophobicContact CB-CZ 3.5Å; N351-F353 WeakPolarHBondContact O-CD2 3.26Å; N351-F353 PolarHBondContact O-N 3.45Å; F353-E355 PolarHBondContact O-N 2.83Å; F353-I364 HydrophobicContact CB-CD1 4.03Å; F353-I364 HydrophobicContact CB-CG1 4.19Å; F353-I364 HydrophobicContact CB-CG2 3.79Å; F353-I364 HydrophobicContact CD1-CG2 4.43Å; F353-I364 HydrophobicContact CG-CD1 4.35Å; F353-I364 HydrophobicContact CG-CG2 4.4Å; F353-T368 WeakPolarHBondContact CD1-O 3.36Å; F353-L369 HydrophobicContact CD1-CD2 3.75Å; F353-L369 HydrophobicContact CE1-CD2 3.76Å
354E63Low59.6Low91 Ų91129.5 Ų129.543%0.42563%0.626SS.*  trans-82.194.2-175.2-164.4-174.9-17100109.1R352 R365 T368R352-E354 PolarHBondContact O-N 3.25Å; E354-R365 WeakPolarHBondContact O-CG 3.37Å; E354-R365 PolarHBondContact O-N 2.86Å; E354-R365 IonicContact OE1-CZ 2.76Å; E354-R365 IonicContact OE1-NH1 3.81Å; E354-R365 PolarHBondContact OE1-NH1 3.22Å; E354-R365 IonicContact OE1-NH2 3.46Å; E354-R365 WeakPolarHBondContact OE2-CD 3.28Å; E354-R365 IonicContact OE2-CZ 2.71Å; E354-R365 IonicContact OE2-NE 2.6Å; E354-R365 IonicContact OE2-NH1 3.28Å; E354-R365 PolarHBondContact OE2-NH1 3.3Å; E354-T368 HydrophobicContact CB-CG2 3.64Å; E354-T368 PolarHBondContact N-OG1 3.15Å
355E76.4Confident61.5Low101 Ų101127.5 Ų127.547%0.47261%0.608SS.*EExtended strand (participates in β ladder)trans-81.5132.5179.9-159.6177.4-143.400110.9F353 K362 R363 I364F353-E355 PolarHBondContact O-N 2.83Å; E355-K362 VanDerWaalsContact CD-CB 3.43Å; E355-K362 HydrophobicContact CG-CB 3.83Å; E355-K362 HydrophobicContact CG-CD 4.37Å; E355-K362 WeakPolarHBondContact OE1-CB 3.4Å; E355-K362 WeakPolarHBondContact OE2-CD 3.4Å; E355-K362 IonicContact OE2-NZ 3.67Å; E355-R363 CarbonylContact C-O 3.59Å; E355-R363 WeakPolarHBondContact CA-O 3.3Å; E355-I364 HydrophobicContact CB-CG1 4.48Å; E355-I364 HydrophobicContact CG-CG1 4.29Å
356Y75.8Confident62.6Low92 Ų92123.6 Ų123.636%0.36160%0.599SS.*EExtended strand (participates in β ladder)trans-128.9144174.973.9-74.9000110.1W358 R363 R365Y356-W358 HydrophobicContact CE2-CB 4.32Å; Y356-R363 WeakPolarHBondContact CD1-O 3.33Å; Y356-R363 HydrophobicContact CE1-CB 4.11Å; Y356-R363 PolarHBondContact N-O 3.43Å; Y356-R363 PolarHBondContact O-N 3.38Å; Y356-R363 VanDerWaalsContact O-O 3.11Å; Y356-R365 HydrophobicContact CD1-CG 3.44Å; Y356-R365 VanDerWaalsContact CD1-CG 3.44Å; Y356-R365 HydrophobicContact CE1-CG 3.68Å; Y356-R365 HydrophobicContact CG-CG 4.43Å
357E82.1Confident63.9Low117 Ų117117.9 Ų117.955%0.54758%0.576SS.*EExtended strand (participates in β ladder)trans-93.7131.1-177.7-163.8169.1161.300111.3G360 K362E357-G360 VanDerWaalsContact OE1-CA 3.27Å; E357-G360 WeakPolarHBondContact OE1-CA 3.03Å; E357-K362 HydrophobicContact CB-CG 4.45Å; E357-K362 HydrophobicContact CG-CG 4.22Å
358W70.9Confident64.8Low158 Ų158111 Ų11160%0.59855%0.547SS*.EExtended strand (participates in β ladder)trans-134.6117.9175.9-173.8-93.9000110.3Y356 G360 Q361Y356-W358 HydrophobicContact CE2-CB 4.32Å; W358-G360 PolarHBondContact O-N 3.38Å; W358-Q361 PolarHBondContact N-O 2.9Å; W358-Q361 PolarHBondContact O-N 2.98Å
359C66.1Low66.2Low110 Ų110107.3 Ų107.374%0.74353%0.533SS*.THydrogen-bonded Turntrans55.541.5-176.4-61.70000114.3Q361C359-Q361 PolarHBondContact O-N 2.89Å
360G72.8Confident66.8Low63 Ų63104.6 Ų104.665%0.64952%0.518SS*.THydrogen-bonded Turntrans78.73.7178.700000114.7E357 W358E357-G360 VanDerWaalsContact OE1-CA 3.27Å; E357-G360 WeakPolarHBondContact OE1-CA 3.03Å; W358-G360 PolarHBondContact O-N 3.38Å
361Q49.7Very low67.5Low123 Ų123107.2 Ų107.258%0.57553%0.525SS*.EExtended strand (participates in β ladder)trans-120.5121.5177.2-169.1174.53.500109.5W358 C359W358-Q361 PolarHBondContact N-O 2.9Å; W358-Q361 PolarHBondContact O-N 2.98Å; C359-Q361 PolarHBondContact O-N 2.89Å
362K83.4Confident67.9Low126 Ų126105.6 Ų105.655%0.54853%0.532SS..EExtended strand (participates in β ladder)trans-71.4142.4176.1-57.4-163.3-177.4-178.10111.4E355 E357E355-K362 VanDerWaalsContact CD-CB 3.43Å; E355-K362 HydrophobicContact CG-CB 3.83Å; E355-K362 HydrophobicContact CG-CD 4.37Å; E355-K362 WeakPolarHBondContact OE1-CB 3.4Å; E355-K362 WeakPolarHBondContact OE2-CD 3.4Å; E355-K362 IonicContact OE2-NZ 3.67Å; E357-K362 HydrophobicContact CB-CG 4.45Å; E357-K362 HydrophobicContact CG-CG 4.22Å
363R79Confident68.3Low122 Ų12295.2 Ų95.246%0.4650%0.499SS..EExtended strand (participates in β ladder)trans-143.8138.5-177.2-62.1-176.2-179.8-154.8-4.6109.8E355 Y356E355-R363 CarbonylContact C-O 3.59Å; E355-R363 WeakPolarHBondContact CA-O 3.3Å; Y356-R363 WeakPolarHBondContact CD1-O 3.33Å; Y356-R363 HydrophobicContact CE1-CB 4.11Å; Y356-R363 PolarHBondContact N-O 3.43Å; Y356-R363 PolarHBondContact O-N 3.38Å; Y356-R363 VanDerWaalsContact O-O 3.11Å
364I79.6Confident67.9Low71 Ų7196 Ų9636%0.36450%0.502SS..EExtended strand (participates in β ladder)trans-82.5137.2176.4-65.5168.6000110F353 E355 A366 L369F353-I364 HydrophobicContact CB-CD1 4.03Å; F353-I364 HydrophobicContact CB-CG1 4.19Å; F353-I364 HydrophobicContact CB-CG2 3.79Å; F353-I364 HydrophobicContact CD1-CG2 4.43Å; F353-I364 HydrophobicContact CG-CD1 4.35Å; F353-I364 HydrophobicContact CG-CG2 4.4Å; E355-I364 HydrophobicContact CB-CG1 4.48Å; E355-I364 HydrophobicContact CG-CG1 4.29Å; I364-A366 PolarHBondContact O-N 2.87Å; I364-L369 HydrophobicContact CG2-CD1 4.17Å; I364-L369 HydrophobicContact CG2-CD2 3.9Å; I364-L369 HydrophobicContact CG2-CG 3.75Å
365R74.9Confident67.7Low97 Ų97100.5 Ų100.537%0.36652%0.515SS..  trans-67.7123171.2-68.7-176-171.7152.612.9110.2E354 Y356 T367 T368E354-R365 WeakPolarHBondContact O-CG 3.37Å; E354-R365 PolarHBondContact O-N 2.86Å; E354-R365 IonicContact OE1-CZ 2.76Å; E354-R365 IonicContact OE1-NH1 3.81Å; E354-R365 PolarHBondContact OE1-NH1 3.22Å; E354-R365 IonicContact OE1-NH2 3.46Å; E354-R365 WeakPolarHBondContact OE2-CD 3.28Å; E354-R365 IonicContact OE2-CZ 2.71Å; E354-R365 IonicContact OE2-NE 2.6Å; E354-R365 IonicContact OE2-NH1 3.28Å; E354-R365 PolarHBondContact OE2-NH1 3.3Å; Y356-R365 HydrophobicContact CD1-CG 3.44Å; Y356-R365 VanDerWaalsContact CD1-CG 3.44Å; Y356-R365 HydrophobicContact CE1-CG 3.68Å; Y356-R365 HydrophobicContact CG-CG 4.43Å; R365-T367 PolarHBondContact O-N 2.75Å; R365-T368 PolarHBondContact O-N 2.84Å; R365-T368 PolarHBondContact O-OG1 3.24Å
366A69Low66.7Low72 Ų7298.3 Ų98.360%0.59552%0.52SS*.G310 helixtrans-53.6-30.8178.900000113.4I364 T368 L369I364-A366 PolarHBondContact O-N 2.87Å; A366-T368 PolarHBondContact O-N 3.32Å; A366-L369 PolarHBondContact O-N 3.5Å
367T63.6Low65.9Low59 Ų5996.5 Ų96.536%0.36252%0.521SS..G310 helixtrans-64.9-12.2175530000114.8R365 G373 F374R365-T367 PolarHBondContact O-N 2.75Å; T367-G373 WeakPolarHBondContact O-CA 3.46Å; T367-F374 HydrophobicContact CG2-CD2 3.93Å
368T66.1Low64.7Low37 Ų3794 Ų9423%0.22753%0.527CS..G310 helixtrans-109.1-5.9176.462.30000113.9F353 E354 R365 A366 L370F353-T368 WeakPolarHBondContact CD1-O 3.36Å; E354-T368 HydrophobicContact CB-CG2 3.64Å; E354-T368 PolarHBondContact N-OG1 3.15Å; R365-T368 PolarHBondContact O-N 2.84Å; R365-T368 PolarHBondContact O-OG1 3.24Å; A366-T368 PolarHBondContact O-N 3.32Å; T368-L370 VanDerWaalsContact C-N 3.28Å
369L63.3Low63.7Low106 Ų10693 Ų9356%0.55553%0.527SS*.SBendtrans-82.3-9.4169.4-68.8169.7000112.5F353 I364 A366F353-L369 HydrophobicContact CD1-CD2 3.75Å; F353-L369 HydrophobicContact CE1-CD2 3.76Å; I364-L369 HydrophobicContact CG2-CD1 4.17Å; I364-L369 HydrophobicContact CG2-CD2 3.9Å; I364-L369 HydrophobicContact CG2-CG 3.75Å; A366-L369 PolarHBondContact O-N 3.5Å
370L58.7Low63.2Low94 Ų9495 Ų9549%0.49253%0.529SS..SBendtrans-93.6123.8175.3-74.6152.5000109.4T368 G372 G373T368-L370 VanDerWaalsContact C-N 3.28Å; L370-G372 PolarHBondContact O-N 3.49Å; L370-G373 WeakPolarHBondContact O-CA 3.42Å; L370-G373 PolarHBondContact O-N 3.42Å
371E53.2Low61.9Low192 Ų19296.6 Ų96.690%0.89752%0.52SS*.THydrogen-bonded Turntrans-61.3122173.9-163.4169.3-179.200109.6
372G62.7Low61.5Low64 Ų6496.5 Ų96.566%0.6653%0.532SS*.THydrogen-bonded Turntrans87.40.3-169.800000115.9L370 G376L370-G372 PolarHBondContact O-N 3.49Å; G372-G376 PolarHBondContact O-N 3.29Å; G372-G376 VanDerWaalsContact O-N 3.16Å
373G62.9Low59.7Low20 Ų2095 Ų9521%0.20654%0.537CS..Hα-helixtrans62.8-159.9173.300000114.9T367 L370 R375 G376 S377T367-G373 WeakPolarHBondContact O-CA 3.46Å; L370-G373 WeakPolarHBondContact O-CA 3.42Å; L370-G373 PolarHBondContact O-N 3.42Å; G373-R375 PolarHBondContact O-N 3.27Å; G373-R375 VanDerWaalsContact O-N 3.16Å; G373-G376 PolarHBondContact O-N 2.68Å; G373-S377 PolarHBondContact O-N 2.73Å
374F53.2Low58.5Low102 Ų10292.9 Ų92.945%0.44755%0.554SS.*Hα-helixtrans-60.3-27.6-177-167.6-101.9000113.7T367 S377 F379T367-F374 HydrophobicContact CG2-CD2 3.93Å; F374-S377 WeakPolarHBondContact O-CB 3.37Å; F374-S377 PolarHBondContact O-N 3.48Å; F374-F379 HydrophobicContact CE1-CB 4.01Å; F374-F379 HydrophobicContact CE2-CD2 4.4Å; F374-F379 HydrophobicContact CZ-CB 3.97Å; F374-F379 HydrophobicContact CZ-CD2 4.36Å; F374-F379 HydrophobicContact CZ-CG 4.1Å
375R57.9Low56.8Low184 Ų18498.1 Ų98.169%0.69457%0.574SS**Hα-helixtrans-74.6-30.1174.8-68.1-170.5-176.8-86.32.9113G373 S377 M381G373-R375 PolarHBondContact O-N 3.27Å; G373-R375 VanDerWaalsContact O-N 3.16Å; R375-S377 PolarHBondContact O-N 3.3Å; R375-M381 HydrophobicContact CG-SD 4.43Å; R375-M381 VanDerWaalsContact CZ-SD 3.56Å
376G55.9Low55.6Low56 Ų56101.9 Ų101.958%0.57760%0.596SS**Hα-helixtrans-68.8-17171.900000114G372 G373 G378G372-G376 PolarHBondContact O-N 3.29Å; G372-G376 VanDerWaalsContact O-N 3.16Å; G373-G376 PolarHBondContact O-N 2.68Å; G376-G378 VanDerWaalsContact C-N 3.28Å; G376-G378 PolarHBondContact O-N 2.94Å
377S59.3Low54.5Low53 Ų53104.4 Ų104.437%0.37160%0.599SS.*THydrogen-bonded Turntrans-78.50.1-177.7-172.50000115.1G373 F374 R375 F379G373-S377 PolarHBondContact O-N 2.73Å; F374-S377 WeakPolarHBondContact O-CB 3.37Å; F374-S377 PolarHBondContact O-N 3.48Å; R375-S377 PolarHBondContact O-N 3.3Å; S377-F379 PolarHBondContact O-N 3.1Å
378G57.3Low54.1Low66 Ų66107.6 Ų107.668%0.6862%0.621SS**THydrogen-bonded Turntrans70.98.3179.700000115.7G376 I380G376-G378 VanDerWaalsContact C-N 3.28Å; G376-G378 PolarHBondContact O-N 2.94Å; G378-I380 PolarHBondContact O-N 2.96Å
379F48.4Very low53.7Low135 Ų135113 Ų11359%0.59265%0.648SS**  trans-72.2121170.1-84.9-84.6000110F374 S377 M381F374-F379 HydrophobicContact CE1-CB 4.01Å; F374-F379 HydrophobicContact CE2-CD2 4.4Å; F374-F379 HydrophobicContact CZ-CB 3.97Å; F374-F379 HydrophobicContact CZ-CD2 4.36Å; F374-F379 HydrophobicContact CZ-CG 4.1Å; S377-F379 PolarHBondContact O-N 3.1Å; F379-M381 PolarHBondContact O-N 3.12Å
380I56Low53.2Low152 Ų152112 Ų11278%0.77965%0.651SS**  trans-65.2104.5175.5-62171.8000108.4G378 C382G378-I380 PolarHBondContact O-N 2.96Å; I380-C382 PolarHBondContact O-N 3.5Å
381M45.4Very low53.2Low97 Ų97115.1 Ų115.148%0.47867%0.668SS.*  trans-76.2114.7154.9-64-167.377.500106.6R375 F379 S383R375-M381 HydrophobicContact CG-SD 4.43Å; R375-M381 VanDerWaalsContact CZ-SD 3.56Å; F379-M381 PolarHBondContact O-N 3.12Å; M381-S383 PolarHBondContact O-N 3.37Å
382C41.8Very low53.7Low122 Ų122109.8 Ų109.882%0.82466%0.656SS**  trans-65.683.1166.2-59.80000108.5I380 G384I380-C382 PolarHBondContact O-N 3.5Å; C382-G384 PolarHBondContact O-N 3.25Å
383S45.5Very low53.9Low94 Ų94114.1 Ų114.166%0.65766%0.664SS**  trans-61.7106158.152.10000105.9M381 K385M381-S383 PolarHBondContact O-N 3.37Å; S383-K385 PolarHBondContact O-N 2.76Å
384G53Low53.9Low78 Ų78120.2 Ų120.280%0.80469%0.691SS**  trans-56.3101.6176.700000109C382C382-G384 PolarHBondContact O-N 3.25Å
385K44Very low54.3Low180 Ų180122 Ų12278%0.78371%0.705SS**  trans-78.2127.4152.7-75-171.9173.4-174.60105.5S383 N387S383-K385 PolarHBondContact O-N 2.76Å; K385-N387 PolarHBondContact O-N 2.97Å
386E50.8Low54.6Low177 Ų177119.5 Ų119.583%0.82771%0.71SS**  trans-48.7104.6168.256.6-129.311500110.8P388E386-P388 WeakPolarHBondContact O-CD 3.34Å
387N45.2Very low54.9Low124 Ų124124.1 Ų124.166%0.66372%0.722SS**  trans-94.9103157.1-110.312.8000105K385 D389K385-N387 PolarHBondContact O-N 2.97Å; N387-D389 PolarHBondContact O-N 3.43Å
388P56Low54.9Low127 Ų127123.2 Ų123.283%0.82572%0.721SS**THydrogen-bonded Turntrans-75.222.4-178.833.2-37.3000113.2E386E386-P388 WeakPolarHBondContact O-CD 3.34Å
389D56.8Low55.3Low149 Ų149125.3 Ų125.380%0.79772%0.717SS**THydrogen-bonded Turntrans-138.533.9-171.8-158.524.5000110.5N387N387-D389 PolarHBondContact O-N 3.43Å
390S54.3Low56.4Low87 Ų87122.8 Ų122.861%0.60871%0.709SS**  trans-142.317.6176.6-55.80000112.6
391D57.6Low57.4Low159 Ų159117.4 Ų117.485%0.8568%0.683SS**  trans-95.930.1166.6-113.614.9000109.8D393D391-D393 VanDerWaalsContact C-N 3.31Å; D391-D393 PolarHBondContact O-N 3.17Å
392A63.3Low58.8Low79 Ų79120.9 Ų120.965%0.65370%0.703SS**  trans-70.294.1167.900000107.6L394A392-L394 PolarHBondContact O-N 2.71Å
393D67.3Low60.8Low155 Ų155121.5 Ų121.583%0.82969%0.694SS**  trans-47.3106.4165.5-75.2-42.8000107.8D391 D395D391-D393 VanDerWaalsContact C-N 3.31Å; D391-D393 PolarHBondContact O-N 3.17Å; D393-D395 PolarHBondContact O-N 3.5Å; D393-D395 VanDerWaalsContact O-N 3.12Å
394L62.4Low62.6Low149 Ų149120.3 Ų120.378%0.7868%0.675SS**  trans-68.8112.1171.5-64.8178.5000105.7A392 V396A392-L394 PolarHBondContact O-N 2.71Å; L394-V396 HydrophobicContact CB-CG2 4.35Å; L394-V396 WeakPolarHBondContact O-CG2 3.45Å; L394-V396 PolarHBondContact O-N 3.15Å
395D62.8Low64.2Low138 Ų138118.1 Ų118.174%0.73865%0.653SS**  trans-69.378.3178.3-126.2-10.4000108.7D393 D397 G398D393-D395 PolarHBondContact O-N 3.5Å; D393-D395 VanDerWaalsContact O-N 3.12Å; D395-D397 PolarHBondContact O-N 3.5Å; D395-G398 PolarHBondContact O-N 3.13Å
396V63.1Low66.3Low132 Ų132117.3 Ų117.380%0.865%0.65SS**THydrogen-bonded Turntrans-69.3-21.8-180173.90000111L394 G398L394-V396 HydrophobicContact CB-CG2 4.35Å; L394-V396 WeakPolarHBondContact O-CG2 3.45Å; L394-V396 PolarHBondContact O-N 3.15Å; V396-G398 VanDerWaalsContact C-N 3.29Å
397D62.8Low68.3Low153 Ų153112.5 Ų112.582%0.81863%0.633SS**THydrogen-bonded Turntrans-9526.9169.7-61.8-37.9000111.6D395 D399D395-D397 PolarHBondContact O-N 3.5Å; D397-D399 PolarHBondContact O-N 3.08Å
398G60Low70.5Confident34 Ų34111.2 Ų111.235%0.35162%0.624SS.*  trans-51.4124.2178.600000111.7D395 V396 D400D395-G398 PolarHBondContact O-N 3.13Å; V396-G398 VanDerWaalsContact C-N 3.29Å; G398-D400 PolarHBondContact O-N 3.38Å
399D64.8Low72.4Confident111 Ų111105.7 Ų105.759%0.59459%0.586SS**  trans-7193.6-178.3-178.115.2000110.7D397 T401 L402D397-D399 PolarHBondContact O-N 3.08Å; D399-T401 VanDerWaalsContact CG-CB 3.45Å; D399-T401 PolarHBondContact O-N 3.09Å; D399-T401 WeakPolarHBondContact OD1-CB 3.44Å; D399-T401 PolarHBondContact OD1-N 2.9Å; D399-T401 VanDerWaalsContact OD1-N 3.14Å; D399-T401 PolarHBondContact OD1-OG1 3.07Å; D399-T401 WeakPolarHBondContact OD2-CB 3.2Å; D399-T401 PolarHBondContact OD2-OG1 3.26Å; D399-L402 PolarHBondContact O-N 3.07Å
400D71.3Confident74.1Confident81 Ų81102.1 Ų102.143%0.43357%0.57SS.*THydrogen-bonded Turntrans-48.5-13.2173.2-76.7-14.9000113.8G398 L402 E403 Y404G398-D400 PolarHBondContact O-N 3.38Å; D400-L402 PolarHBondContact O-N 3.2Å; D400-E403 PolarHBondContact O-N 3.45Å; D400-Y404 HydrophobicContact CB-CD2 4.15Å; D400-Y404 PolarHBondContact O-N 2.86Å
401T76.9Confident76Confident39 Ų39103.1 Ų103.124%0.23957%0.565CS.*Hα-helixtrans-52.2-30167.4-61.80000113.2D399 G405 K406D399-T401 VanDerWaalsContact CG-CB 3.45Å; D399-T401 PolarHBondContact O-N 3.09Å; D399-T401 WeakPolarHBondContact OD1-CB 3.44Å; D399-T401 PolarHBondContact OD1-N 2.9Å; D399-T401 VanDerWaalsContact OD1-N 3.14Å; D399-T401 PolarHBondContact OD1-OG1 3.07Å; D399-T401 WeakPolarHBondContact OD2-CB 3.2Å; D399-T401 PolarHBondContact OD2-OG1 3.26Å; T401-G405 WeakPolarHBondContact O-CA 3.41Å; T401-G405 PolarHBondContact O-N 3.43Å; T401-K406 HydrophobicContact CG2-CB 4.47Å; T401-K406 HydrophobicContact CG2-CG 3.63Å
402L75.4Confident77.5Confident170 Ų170100 Ų10089%0.8956%0.561SS**Hα-helixtrans-71.6-32.4175.8-74.5176.5000113.3D399 D400D399-L402 PolarHBondContact O-N 3.07Å; D400-L402 PolarHBondContact O-N 3.2Å
403E83.1Confident78.9Confident136 Ų13699.8 Ų99.864%0.63655%0.549SS*.Hα-helixtrans-90.9-45.1-178-172.2176.8165.600111.8D400D400-E403 PolarHBondContact O-N 3.45Å
404Y83.3Confident80.1Confident68 Ų6893.1 Ų93.127%0.26751%0.514SS..Hα-helixtrans-108.7-0.5-172.2-60.6-76.7000114.1D400 I528 W531 R562D400-Y404 HydrophobicContact CB-CD2 4.15Å; D400-Y404 PolarHBondContact O-N 2.86Å; Y404-I528 HydrophobicContact CD1-CB 4.07Å; Y404-I528 HydrophobicContact CD1-CG2 3.51Å; Y404-I528 HydrophobicContact CD2-CD1 4.32Å; Y404-I528 HydrophobicContact CE1-CB 4.23Å; Y404-I528 HydrophobicContact CE1-CG2 4.1Å; Y404-I528 HydrophobicContact CG-CB 4.34Å; Y404-I528 HydrophobicContact CG-CD1 4.3Å; Y404-I528 HydrophobicContact CG-CG2 3.85Å; Y404-W531 HydrophobicContact CD1-CH2 4.45Å; Y404-W531 AromaticContact CE1-CH2 3.75Å; Y404-W531 HydrophobicContact CE1-CH2 3.75Å; Y404-W531 AromaticContact CE1-CZ2 3.76Å; Y404-W531 HydrophobicContact CE1-CZ2 3.76Å; Y404-R562 PolarHBondContact O-NE 3.21Å
405G87.8Confident81.4Confident32 Ų3288.4 Ų88.433%0.3349%0.489SS..  trans70.5172.1-17200000112.9T401 R562T401-G405 WeakPolarHBondContact O-CA 3.41Å; T401-G405 PolarHBondContact O-N 3.43Å; G405-R562 PolarHBondContact O-NH2 2.72Å
406K87.7Confident82.5Confident164 Ų16486.2 Ų86.271%0.71348%0.483SS*.SBendtrans-58.9146.1-178.2-67.5-179.3-179.8-1780111.6T401 Q408T401-K406 HydrophobicContact CG2-CB 4.47Å; T401-K406 HydrophobicContact CG2-CG 3.63Å; K406-Q408 PolarHBondContact O-N 2.92Å
407P91.9Very high83Confident75 Ų7584 Ų8449%0.48747%0.471SS..  trans-49.6124.2170.4-28.836.2000111.7
408Q92.8Very high82.8Confident98 Ų9881.7 Ų81.746%0.45846%0.463SS..SBendtrans-86.6-14.4178.6-67.7-179.7-14.900112.6K406K406-Q408 PolarHBondContact O-N 2.92Å
409Y94.6Very high82.8Confident10 Ų1082.1 Ų82.14%0.03947%0.468CS..  trans-138.9151.9-175.4-64.5-83.7000110.1D413 L525 E536 L540 P558 G559 L561 R563Y409-D413 HydrophobicContact CD1-CB 4.16Å; Y409-L525 HydrophobicContact CD2-CD1 4.29Å; Y409-L525 HydrophobicContact CE1-CD1 4.33Å; Y409-L525 HydrophobicContact CE2-CD1 3.63Å; Y409-L525 HydrophobicContact CE2-CD2 3.87Å; Y409-L525 HydrophobicContact CE2-CG 4.39Å; Y409-L525 WeakPolarHBondContact OH-CD2 3.48Å; Y409-E536 HydrophobicContact CE1-CG 4.24Å; Y409-E536 WeakPolarHBondContact CE1-OE1 3.48Å; Y409-E536 PolarHBondContact OH-OE1 3.37Å; Y409-E536 PolarHBondContact OH-OE2 3.15Å; Y409-L540 HydrophobicContact CD1-CD1 4.36Å; Y409-L540 HydrophobicContact CD1-CD2 4.05Å; Y409-L540 HydrophobicContact CE1-CD1 4.2Å; Y409-P558 WeakPolarHBondContact CB-O 3.31Å; Y409-G559 WeakPolarHBondContact O-CA 3.14Å; Y409-G559 PolarHBondContact O-N 2.78Å; Y409-L561 HydrophobicContact CD2-CB 3.81Å; Y409-L561 HydrophobicContact CE2-CB 4.39Å; Y409-R563 HydrophobicContact CE2-CG 4.42Å; Y409-R563 PolarHBondContact OH-NE 3.26Å; Y409-R563 PolarHBondContact OH-NH1 3.4Å; Y409-R563 PolarHBondContact OH-NH2 3.27Å
410T93.8Very high81.8Confident74 Ų7485.2 Ų85.245%0.45448%0.479SS..  trans-130.8172.3-17770.70000110.5A412 D413 P558T410-A412 PolarHBondContact O-N 2.9Å; T410-A412 VanDerWaalsContact O-N 3.15Å; T410-A412 PolarHBondContact OG1-N 2.94Å; T410-D413 WeakPolarHBondContact CA-OD2 3.32Å; T410-D413 WeakPolarHBondContact CB-OD2 3.38Å; T410-D413 PolarHBondContact N-OD2 3.16Å; T410-D413 PolarHBondContact O-N 3.12Å; T410-D413 VanDerWaalsContact O-N 3.13Å; T410-D413 PolarHBondContact OG1-OD2 2.96Å; T410-P558 VanDerWaalsContact O-CB 3.31Å; T410-P558 WeakPolarHBondContact O-CB 3.3Å
411E92.8Very high80.7Confident108 Ų10887.1 Ų87.151%0.50549%0.485SS..THydrogen-bonded Turntrans-63.1-14.6173.6-68.1-65.417000113.7K547 P558E411-K547 IonicContact OE1-NZ 2.71Å; E411-K547 WeakPolarHBondContact OE2-CE 3.41Å; E411-K547 IonicContact OE2-NZ 2.95Å; E411-K547 PolarHBondContact OE2-NZ 3.06Å; E411-P558 WeakPolarHBondContact OE1-CD 3.45Å
412A90.3Very high79.5Confident93 Ų9390.1 Ų90.177%0.76951%0.505SS*.THydrogen-bonded Turntrans-80.1-24.1174.400000113.5T410 V414T410-A412 PolarHBondContact O-N 2.9Å; T410-A412 VanDerWaalsContact O-N 3.15Å; T410-A412 PolarHBondContact OG1-N 2.94Å; A412-V414 VanDerWaalsContact C-N 3.27Å; A412-V414 PolarHBondContact O-N 3.06Å
413D91.7Very high78.5Confident75 Ų7584.2 Ų84.240%0.40149%0.486SS..SBendtrans-82.3-9.5-179.3-53.5-69.9000112.4Y409 T410 I415 L540Y409-D413 HydrophobicContact CD1-CB 4.16Å; T410-D413 WeakPolarHBondContact CA-OD2 3.32Å; T410-D413 WeakPolarHBondContact CB-OD2 3.38Å; T410-D413 PolarHBondContact N-OD2 3.16Å; T410-D413 PolarHBondContact O-N 3.12Å; T410-D413 VanDerWaalsContact O-N 3.13Å; T410-D413 PolarHBondContact OG1-OD2 2.96Å; D413-I415 PolarHBondContact O-N 2.89Å; D413-L540 HydrophobicContact CB-CD2 4.3Å
414V93.1Very high77.2Confident16 Ų1682.2 Ų82.210%0.09748%0.477CS..  trans-67.3116.1179.3175.90000110.3A412 P416 L543 G544 P558A412-V414 VanDerWaalsContact C-N 3.27Å; A412-V414 PolarHBondContact O-N 3.06Å; V414-P416 WeakPolarHBondContact O-CD 3.43Å; V414-L543 HydrophobicContact CG2-CB 4.5Å; V414-G544 VanDerWaalsContact CG1-N 3.28Å; V414-P558 HydrophobicContact CG2-CB 4.14Å; V414-P558 HydrophobicContact CG2-CG 3.21Å
415I90.4Very high75.8Confident50 Ų5081.2 Ų81.226%0.25648%0.482SS..  trans-70.1110.1176.9-60.8166.9000108.4D413 E537 L540 R541D413-I415 PolarHBondContact O-N 2.89Å; I415-E537 HydrophobicContact CD1-CG 4.37Å; I415-L540 HydrophobicContact CD1-CB 3.99Å; I415-L540 HydrophobicContact CG1-CB 4.04Å; I415-L540 PolarHBondContact N-O 3.44Å; I415-R541 HydrophobicContact CB-CG 3.93Å; I415-R541 HydrophobicContact CD1-CG 3.87Å; I415-R541 HydrophobicContact CG2-CG 3.85Å
416P85.7Confident74.4Confident92 Ų9287.5 Ų87.560%0.59750%0.5SS*.  trans-67.7143.3-178.9-17.333000110.1V414 T418V414-P416 WeakPolarHBondContact O-CD 3.43Å; P416-T418 VanDerWaalsContact C-N 3.31Å; P416-T418 PolarHBondContact O-N 3.12Å
417C71.9Confident73Confident84 Ų8485.7 Ų85.757%0.56849%0.494SS*.  trans-72.490.8166.4-63.50000109.2G419C417-G419 VanDerWaalsContact C-N 3.27Å; C417-G419 PolarHBondContact O-N 2.76Å
418T59Low71.7Confident105 Ų10587.5 Ų87.564%0.64449%0.491SS*.  trans-6584.8170.548.80000109.7P416 E420P416-T418 VanDerWaalsContact C-N 3.31Å; P416-T418 PolarHBondContact O-N 3.12Å; T418-E420 PolarHBondContact O-N 3.04Å
419G59.5Low70.3Confident44 Ų4489.7 Ų89.745%0.45450%0.502SS..THydrogen-bonded Turntrans-67.4-2.8-175.100000115.8C417 R428C417-G419 VanDerWaalsContact C-N 3.27Å; C417-G419 PolarHBondContact O-N 2.76Å; G419-R428 PolarHBondContact O-NH2 3.4Å; G419-R428 VanDerWaalsContact O-NH2 3.08Å
420E45.5Very low68.9Low176 Ų17692.3 Ų92.382%0.82253%0.525SS*.THydrogen-bonded Turntrans-134.654.8-172-59.8-165.8170.700112.9T418T418-E420 PolarHBondContact O-N 3.04Å
421E46.5Very low67.3Low120 Ų12093.9 Ų93.956%0.56153%0.531SS*.  trans-71.3126.4148.9-98.3-60.2129.200108.6G423 E424E421-G423 PolarHBondContact O-N 3.4Å; E421-E424 HydrophobicContact CB-CG 4.41Å; E421-E424 PolarHBondContact O-N 2.98Å; E421-E424 VanDerWaalsContact O-N 3.09Å
422P51.9Low66Low102 Ų10297.6 Ų97.666%0.66254%0.54SS*.Hα-helixtrans-59.2-18.4-175.3-26.935.4000115.1
423G55Low64.5Low47 Ų4794.8 Ų94.849%0.48552%0.52SS..Hα-helixtrans-71.5-45.9173.600000113.7E421 A425 K426 E427E421-G423 PolarHBondContact O-N 3.4Å; G423-A425 PolarHBondContact O-N 3.01Å; G423-K426 WeakPolarHBondContact O-CB 3.44Å; G423-K426 PolarHBondContact O-N 2.94Å; G423-E427 PolarHBondContact O-N 3.42Å
424E56.5Low62.9Low94 Ų9494.3 Ų94.344%0.43953%0.526SS..Hα-helixtrans-71.9-32.2-173.3-64.9-170.1177.700113.2E421 K426 E427 R428E421-E424 HydrophobicContact CB-CG 4.41Å; E421-E424 PolarHBondContact O-N 2.98Å; E421-E424 VanDerWaalsContact O-N 3.09Å; E424-K426 VanDerWaalsContact C-N 3.29Å; E424-E427 PolarHBondContact O-N 3.09Å; E424-R428 WeakPolarHBondContact O-CB 3.4Å; E424-R428 WeakPolarHBondContact O-CG 3.49Å; E424-R428 PolarHBondContact O-N 2.96Å; E424-R428 PolarHBondContact O-NE 3.04Å; E424-R428 IonicContact OE2-CZ 3.88Å; E424-R428 IonicContact OE2-NH2 3.9Å; E424-R428 PolarHBondContact OE2-NH2 3.3Å
425A54Low61.1Low46 Ų4699.6 Ų99.638%0.3856%0.559SS.*Hα-helixtrans-61.5-42.517300000110.3G423 R428 E429G423-A425 PolarHBondContact O-N 3.01Å; A425-R428 PolarHBondContact O-N 2.96Å; A425-E429 WeakPolarHBondContact O-CB 3.37Å; A425-E429 PolarHBondContact O-N 3.38Å
426K57.2Low59.5Low165 Ų165104.2 Ų104.272%0.71758%0.583SS**Hα-helixtrans-67.1-34.1176.8-172178-179.8-178.90112.6G423 E424 A430G423-K426 WeakPolarHBondContact O-CB 3.44Å; G423-K426 PolarHBondContact O-N 2.94Å; E424-K426 VanDerWaalsContact C-N 3.29Å; K426-A430 WeakPolarHBondContact O-CB 3.37Å; K426-A430 PolarHBondContact O-N 3.43Å
427E59.3Low57.8Low126 Ų126106.1 Ų106.159%0.58959%0.588SS**Hα-helixtrans-71.3-43173.1-171.3173.3-17000112G423 E424 E429 A430 L431G423-E427 PolarHBondContact O-N 3.42Å; E424-E427 PolarHBondContact O-N 3.09Å; E427-E429 VanDerWaalsContact C-N 3.31Å; E427-E429 PolarHBondContact O-N 2.81Å; E427-A430 PolarHBondContact O-N 2.85Å; E427-L431 HydrophobicContact CG-CD1 4.23Å; E427-L431 WeakPolarHBondContact O-CB 3.11Å; E427-L431 WeakPolarHBondContact O-CG 3.39Å; E427-L431 PolarHBondContact O-N 3.01Å
428R63.5Low56.5Low112 Ų112106.7 Ų106.742%0.42361%0.608SS.*Hα-helixtrans-62.4-36172.6-75.8178.3-106.4137.5-11.4112.3G419 E424 A425 R432G419-R428 PolarHBondContact O-NH2 3.4Å; G419-R428 VanDerWaalsContact O-NH2 3.08Å; E424-R428 WeakPolarHBondContact O-CB 3.4Å; E424-R428 WeakPolarHBondContact O-CG 3.49Å; E424-R428 PolarHBondContact O-N 2.96Å; E424-R428 PolarHBondContact O-NE 3.04Å; E424-R428 IonicContact OE2-CZ 3.88Å; E424-R428 IonicContact OE2-NH2 3.9Å; E424-R428 PolarHBondContact OE2-NH2 3.3Å; A425-R428 PolarHBondContact O-N 2.96Å; R428-R432 WeakPolarHBondContact O-CB 3.32Å; R428-R432 VanDerWaalsContact O-CG 3.3Å; R428-R432 WeakPolarHBondContact O-CG 3.47Å; R428-R432 PolarHBondContact O-N 2.75Å
429E63.2Low55.8Low145 Ų145104.2 Ų104.268%0.67860%0.603SS**Hα-helixtrans-65.5-45.8171.8-163.289.4-135.300110.9A425 E427 R432 G433A425-E429 WeakPolarHBondContact O-CB 3.37Å; A425-E429 PolarHBondContact O-N 3.38Å; E427-E429 VanDerWaalsContact C-N 3.31Å; E427-E429 PolarHBondContact O-N 2.81Å; E429-R432 PolarHBondContact O-N 3.41Å; E429-G433 PolarHBondContact O-N 2.6Å
430A66.2Low55.1Low64 Ų64108.1 Ų108.153%0.52962%0.62SS.*Hα-helixtrans-63.8-40.9177.400000112.7K426 E427 G433 A434K426-A430 WeakPolarHBondContact O-CB 3.37Å; K426-A430 PolarHBondContact O-N 3.43Å; E427-A430 PolarHBondContact O-N 2.85Å; A430-G433 PolarHBondContact O-N 3.15Å; A430-A434 WeakPolarHBondContact O-CB 3.31Å; A430-A434 PolarHBondContact O-N 3.44Å
431L59.8Low54.8Low108 Ų108105.9 Ų105.957%0.56562%0.621SS**Hα-helixtrans-64.6-39.6174.2-73166.9000111.8E427 A434 V435E427-L431 HydrophobicContact CG-CD1 4.23Å; E427-L431 WeakPolarHBondContact O-CB 3.11Å; E427-L431 WeakPolarHBondContact O-CG 3.39Å; E427-L431 PolarHBondContact O-N 3.01Å; L431-A434 PolarHBondContact O-N 2.97Å; L431-V435 WeakPolarHBondContact O-CG2 3.27Å; L431-V435 PolarHBondContact O-N 2.8Å
432R65.8Low54.2Low186 Ų186105.8 Ų105.870%0.70263%0.634SS**Hα-helixtrans-64.8-38.1171.5-74.5175.4-177.3-800.3112.1R428 E429 L436R428-R432 WeakPolarHBondContact O-CB 3.32Å; R428-R432 VanDerWaalsContact O-CG 3.3Å; R428-R432 WeakPolarHBondContact O-CG 3.47Å; R428-R432 PolarHBondContact O-N 2.75Å; E429-R432 PolarHBondContact O-N 3.41Å; R432-L436 PolarHBondContact O-N 3.49Å
433G58.2Low53.7Low34 Ų34107.6 Ų107.635%0.35164%0.643SS.*Hα-helixtrans-64.8-39174.400000113.6E429 A430 L436 N437E429-G433 PolarHBondContact O-N 2.6Å; A430-G433 PolarHBondContact O-N 3.15Å; G433-L436 PolarHBondContact O-N 3.17Å; G433-N437 PolarHBondContact O-N 3.01Å
434A58Low53.2Low65 Ų65116.5 Ų116.554%0.53766%0.662SS.*Hα-helixtrans-68.9-33.517800000113.1A430 L431 L436A430-A434 WeakPolarHBondContact O-CB 3.31Å; A430-A434 PolarHBondContact O-N 3.44Å; L431-A434 PolarHBondContact O-N 2.97Å; A434-L436 VanDerWaalsContact C-N 3.32Å; A434-L436 PolarHBondContact O-N 3Å
435V56.2Low52.2Low127 Ų127120.2 Ų120.277%0.7768%0.683SS**Hα-helixtrans-71.6-25.2176.9171.60000112.6L431L431-V435 WeakPolarHBondContact O-CG2 3.27Å; L431-V435 PolarHBondContact O-N 2.8Å
436L56.3Low51.1Low147 Ų147123.8 Ų123.877%0.7770%0.7SS**Hα-helixtrans-92.3-23.4-179.9-67.4175000114.1R432 G433 A434R432-L436 PolarHBondContact O-N 3.49Å; G433-L436 PolarHBondContact O-N 3.17Å; A434-L436 VanDerWaalsContact C-N 3.32Å; A434-L436 PolarHBondContact O-N 3Å
437N50.8Low50.1Low132 Ų132122.1 Ų122.171%0.70671%0.707SS**SBendtrans-114.293.1176.8-75.3-44000110.5G433 G439G433-N437 PolarHBondContact O-N 3.01Å; N437-G439 PolarHBondContact O-N 3.37Å
438G45.1Very low48.9Very low95 Ų95123.6 Ų123.698%0.97971%0.713SS**  trans-65.686.2-176.900000114.5
439G44.2Very low47.4Very low53 Ų53127.2 Ų127.255%0.54673%0.733SS.*  trans-127145.7165.700000110.7N437N437-G439 PolarHBondContact O-N 3.37Å
440P44.1Very low45.8Very low126 Ų126126.1 Ų126.182%0.81874%0.741SS**PPolyproline II helixtrans-71139.9-173.928.8-34.7000111.9S442P440-S442 PolarHBondContact O-N 3.23Å
441P39.7Very low44.5Very low130 Ų130132.2 Ų132.284%0.84476%0.756SS**PPolyproline II helixtrans-72.8118.2-18028.9-33.5000111.2
442S32.9Very low43.3Very low118 Ų118139 Ų13983%0.82577%0.774SS**PPolyproline II helixtrans-89.2123.2167.7-171.20000109.7P440 R444P440-S442 PolarHBondContact O-N 3.23Å; S442-R444 PolarHBondContact O-N 3.29Å; S442-R444 VanDerWaalsContact O-N 3.16Å
443T42.5Very low41.7Very low140 Ų140133.9 Ų133.986%0.85977%0.771SS**  trans-69.6102.8-177190000112.3
444R44.1Very low40.4Very low234 Ų234140.2 Ų140.288%0.88380%0.797SS**  trans-163.982.6157.4-141.2-178-71.6179.9-4.2115.1S442S442-R444 PolarHBondContact O-N 3.29Å; S442-R444 VanDerWaalsContact O-N 3.16Å
445I35.1Very low39.1Very low171 Ų171144.5 Ų144.588%0.87781%0.811SS**  trans-134.7130.2151.7-59-176.5000108.7
446T32Very low38Very low121 Ų121147.3 Ų147.374%0.74282%0.815SS**  trans-87.3134.2179.543.80000111.6
447P34.9Very low37Very low131 Ų131147.4 Ų147.485%0.85181%0.814SS**  trans-86.5101156.614.82.3000108.8
448E34.3Very low36.6Very low156 Ų156147 Ų14773%0.72982%0.818SS**  trans-80.4166153.7-152.9-174.9-168.200108.6
449F31.3Very low36Very low189 Ų189146.7 Ų146.783%0.82980%0.801SS**  trans76.167.6-176.2-53.4-80.9000116.6
450S30.6Very low35.3Very low121 Ų121150.9 Ų150.985%0.84682%0.816SS**  trans-136.6109.8132.1-167.70000109.6
451K38.5Very low35Very low193 Ų193149.4 Ų149.484%0.83981%0.809SS**  trans-108.389.5-174.1-178.1-166.4174.4-178.80110.1
452W34Very low34.5Very low251 Ų251150.6 Ų150.695%0.95181%0.808SS**  trans-138.9122.1144.1-76.1-52.4000109.2
453A32.2Very low34.5Very low78 Ų78148.5 Ų148.565%0.64581%0.806SS**  trans-82.3142.4176.600000109.9
454N30.8Very low34Very low166 Ų166150.7 Ų150.789%0.88881%0.806SS**  trans-143.3112.4137.9-86.6-56.4000107.1
455D32.3Very low33.2Very low155 Ų155144 Ų14483%0.82980%0.795SS**  trans-62.5133.9161.8-63.7-88.1000108.9
456E31.9Very low33.2Very low186 Ų186140.6 Ų140.687%0.86979%0.786SS**  -175.2128.2101.9-161.6168.4118.400109
457M35.8Very low33.2Very low150 Ų150143.8 Ų143.874%0.73979%0.79SS**  trans-114.8149.7174.8-158162.163.300107.3
458P41.8Very low33Very low122 Ų122145 Ų14579%0.79278%0.784SS**  -139.6136.4104.734.7-22.6000114.2
459S32.4Very low32.8Very low89 Ų89145.4 Ų145.462%0.62279%0.786SS**  trans-74.7144.7161-54.50000110.1
460T29.2Very low32.9Very low141 Ų141140.9 Ų140.987%0.86578%0.784SS**  trans-128.7116.7152.355.20000109.7
461S39.4Very low33Very low96 Ų96141.8 Ų141.867%0.67178%0.777SS**  trans-85.7-173.9172.858.60000111.8
462N28.9Very low33.1Very low154 Ų154142.1 Ų142.182%0.82478%0.781SS**  trans81.7122.4175.9-46.310.6000112.4
463G32.8Very low33.3Very low75 Ų75138.3 Ų138.377%0.77377%0.771SS**  cis96.8980.400000113.5
464E30.8Very low33.3Very low186 Ų186140.2 Ų140.287%0.86978%0.775SS**  trans-162.8145.9152.7-171.2152.4115.700113.2
465S28.7Very low33.5Very low93 Ų93138.7 Ų138.765%0.6578%0.776SS**  trans67.7108153-81.90000124.9
466S33.8Very low33.6Very low99 Ų99139.8 Ų139.869%0.69277%0.773SS**  69.2118.6110-64.20000123.1
467K33.3Very low34.2Very low188 Ų188138.9 Ų138.982%0.81777%0.774SS**  trans48.6116.8131.7-72.2-179.2174.21790118.6
468Q30.9Very low34.4Very low157 Ų157136.3 Ų136.373%0.73477%0.771SS**  -174.1152.981.2-120.3162.5-67.900114.2
469E29.5Very low34.2Very low164 Ų164137.6 Ų137.677%0.76677%0.771SS**  trans60.9110.1146.6-78.5159.6-143.400123.9
470A33.3Very low35.3Very low95 Ų95141.8 Ų141.879%0.78579%0.785SS**  trans-27.1132.6147.500000117.7
471M32.2Very low36.1Very low140 Ų140143.4 Ų143.469%0.6978%0.783SS**  trans-15295140.1-171.267.361.700110.2K473M471-K473 HydrophobicContact CG-CB 4.47Å; M471-K473 HydrophobicContact CG-CD 3.79Å; M471-K473 HydrophobicContact CG-CG 3.82Å; M471-K473 PolarHBondContact O-N 2.83Å; M471-K473 HydrophobicContact SD-CD 4.2Å; M471-K473 HydrophobicContact SD-CG 4.17Å
472Q41.3Very low36.4Very low200 Ų200147.9 Ų147.994%0.93579%0.79SS**  trans-66.5113158.7-75.6178.2-25.500107.7
473K37.8Very low37.5Very low171 Ų171147.7 Ų147.774%0.74379%0.787SS**  trans-120.8126.3165.2-92.1173.9-178.7172.20110M471M471-K473 HydrophobicContact CG-CB 4.47Å; M471-K473 HydrophobicContact CG-CD 3.79Å; M471-K473 HydrophobicContact CG-CG 3.82Å; M471-K473 PolarHBondContact O-N 2.83Å; M471-K473 HydrophobicContact SD-CD 4.2Å; M471-K473 HydrophobicContact SD-CG 4.17Å
474T32.7Very low38.9Very low118 Ų118147.9 Ų147.972%0.72477%0.773SS**  trans-65146.9-174.941.80000111.8K476T474-K476 PolarHBondContact O-N 2.93Å
475C34.3Very low40.2Very low133 Ų133147 Ų14790%0.89977%0.77SS**  trans-57.3111.7171.8-43.70000109.2
476K35.2Very low41.7Very low178 Ų178148.1 Ų148.177%0.77477%0.768SS**  trans-105.2116.6165.8-71.1-173.3176.6-174.20107.4T474 S478T474-K476 PolarHBondContact O-N 2.93Å; K476-S478 PolarHBondContact O-N 3.03Å
477N44.1Very low43.2Very low168 Ų168145.9 Ų145.990%0.89875%0.753SS**  trans-65.6116.4163.7-68.3-28.8000107.2
478S40.5Very low44.9Very low95 Ų95139.4 Ų139.466%0.66473%0.734SS**  trans-121.1106.5168.352.50000108.2K476K476-S478 PolarHBondContact O-N 3.03Å
479D38.2Very low47Very low149 Ų149135.5 Ų135.580%0.79772%0.721SS**  trans53.3136.4143.7-55.9-59.6000121.2E481D479-E481 PolarHBondContact O-N 2.99Å
480I54.6Low49.5Very low178 Ų178131.6 Ų131.691%0.91371%0.708SS**  trans-75.387.5176.7-60161.9000108
481E46Very low52Low175 Ų175130.7 Ų130.782%0.81869%0.693SS**  trans-78.3146.5161-65.8-158.3150.200110.2D479 I483D479-E481 PolarHBondContact O-N 2.99Å; E481-I483 PolarHBondContact O-N 3.09Å
482K44.7Very low54.8Low190 Ų190129.6 Ų129.683%0.82669%0.685SS**  trans-52.2141.6-177.4-75.3176.4173.9177.40110.6T484K482-T484 PolarHBondContact O-N 2.88Å
483I52.1Low57.2Low149 Ų149125.9 Ų125.976%0.76467%0.667SS**  trans-63.589.3166.6-50.6168.1000107.6E481E481-I483 PolarHBondContact O-N 3.09Å
484T62.2Low59.7Low79 Ų79120.8 Ų120.849%0.48566%0.657SS.*  trans-70.7155.5166.748.20000109K482 D486 S487K482-T484 PolarHBondContact O-N 2.88Å; T484-D486 PolarHBondContact O-N 2.97Å; T484-D486 VanDerWaalsContact O-N 3.12Å; T484-S487 VanDerWaalsContact O-CB 3.29Å; T484-S487 WeakPolarHBondContact O-CB 3.2Å; T484-S487 PolarHBondContact O-N 3.02Å
485E59.3Low62.6Low169 Ų169120.3 Ų120.379%0.7965%0.649SS**Hα-helixtrans-58.7-29.1-177.1-64.4174.914500111.5S487 A488 V489E485-S487 VanDerWaalsContact C-N 3.29Å; E485-S487 PolarHBondContact O-N 3.2Å; E485-A488 WeakPolarHBondContact O-CB 3.37Å; E485-A488 PolarHBondContact O-N 3.47Å; E485-A488 VanDerWaalsContact O-N 3.09Å; E485-V489 WeakPolarHBondContact O-CG2 3.27Å; E485-V489 PolarHBondContact O-N 3.3Å
486D59.2Low65.5Low116 Ų116119 Ų11962%0.6263%0.629SS**Hα-helixtrans-61.1-31.2173.1-51.2-50.2000113.6T484 V489 T490T484-D486 PolarHBondContact O-N 2.97Å; T484-D486 VanDerWaalsContact O-N 3.12Å; D486-V489 PolarHBondContact O-N 3.15Å; D486-T490 WeakPolarHBondContact O-CB 3.41Å; D486-T490 WeakPolarHBondContact O-CG2 3.38Å; D486-T490 PolarHBondContact O-N 3.4Å; D486-T490 PolarHBondContact O-OG1 2.91Å
487S66.4Low68.2Low52 Ų52113.3 Ų113.336%0.36462%0.615SS.*Hα-helixtrans-70.9-37.6173.9-173.50000111.3T484 E485 T490 T491T484-S487 VanDerWaalsContact O-CB 3.29Å; T484-S487 WeakPolarHBondContact O-CB 3.2Å; T484-S487 PolarHBondContact O-N 3.02Å; E485-S487 VanDerWaalsContact C-N 3.29Å; E485-S487 PolarHBondContact O-N 3.2Å; S487-T490 WeakPolarHBondContact CA-OG1 3.18Å; S487-T490 PolarHBondContact O-OG1 2.93Å; S487-T491 WeakPolarHBondContact O-CB 3.4Å; S487-T491 VanDerWaalsContact O-CG2 3.32Å; S487-T491 WeakPolarHBondContact O-CG2 3.49Å; S487-T491 PolarHBondContact O-N 2.85Å; S487-T491 PolarHBondContact O-OG1 2.84Å
488A68.7Low70.5Confident52 Ų52113.6 Ų113.643%0.4360%0.603SS.*Hα-helixtrans-69-38.6172.800000111.7E485 T491 F492E485-A488 WeakPolarHBondContact O-CB 3.37Å; E485-A488 PolarHBondContact O-N 3.47Å; E485-A488 VanDerWaalsContact O-N 3.09Å; A488-T491 WeakPolarHBondContact CA-OG1 3.3Å; A488-T491 PolarHBondContact O-OG1 2.92Å; A488-T491 VanDerWaalsContact O-OG1 3.1Å; A488-F492 WeakPolarHBondContact O-CB 3.45Å; A488-F492 PolarHBondContact O-N 3.08Å
489V75.3Confident73Confident75 Ų75112.6 Ų112.646%0.45559%0.593SS.*Hα-helixtrans-66.3-48.7175.7173.10000111.2E485 D486 T491 F492 E493E485-V489 WeakPolarHBondContact O-CG2 3.27Å; E485-V489 PolarHBondContact O-N 3.3Å; D486-V489 PolarHBondContact O-N 3.15Å; V489-T491 PolarHBondContact O-N 3.3Å; V489-F492 WeakPolarHBondContact O-CB 3.07Å; V489-F492 PolarHBondContact O-N 3.44Å; V489-E493 WeakPolarHBondContact O-CG 3.33Å; V489-E493 PolarHBondContact O-N 3.42Å
490T80.9Confident75.5Confident82 Ų82114.3 Ų114.350%0.50359%0.588SS.*Hα-helixtrans-66.1-37.5179.648.60000112.8D486 S487 A494D486-T490 WeakPolarHBondContact O-CB 3.41Å; D486-T490 WeakPolarHBondContact O-CG2 3.38Å; D486-T490 PolarHBondContact O-N 3.4Å; D486-T490 PolarHBondContact O-OG1 2.91Å; S487-T490 WeakPolarHBondContact CA-OG1 3.18Å; S487-T490 PolarHBondContact O-OG1 2.93Å; T490-A494 WeakPolarHBondContact O-CB 3.39Å; T490-A494 PolarHBondContact O-N 3.34Å
491T87Confident77.1Confident75 Ų75109 Ų10946%0.4656%0.559SS.*Hα-helixtrans-67.9-37.7171.850.70000112.3S487 A488 V489 A494 L495S487-T491 WeakPolarHBondContact O-CB 3.4Å; S487-T491 VanDerWaalsContact O-CG2 3.32Å; S487-T491 WeakPolarHBondContact O-CG2 3.49Å; S487-T491 PolarHBondContact O-N 2.85Å; S487-T491 PolarHBondContact O-OG1 2.84Å; A488-T491 WeakPolarHBondContact CA-OG1 3.3Å; A488-T491 PolarHBondContact O-OG1 2.92Å; A488-T491 VanDerWaalsContact O-OG1 3.1Å; V489-T491 PolarHBondContact O-N 3.3Å; T491-A494 PolarHBondContact O-N 3.25Å; T491-L495 WeakPolarHBondContact O-CB 3.27Å; T491-L495 VanDerWaalsContact O-CG 3.25Å; T491-L495 WeakPolarHBondContact O-CG 3.48Å; T491-L495 PolarHBondContact O-N 3.12Å
492F89.6Confident78.9Confident118 Ų118104.6 Ų104.652%0.51854%0.541SS..Hα-helixtrans-65.8-39174.5-177.9-127.7000112.8A488 V489 L495 K496A488-F492 WeakPolarHBondContact O-CB 3.45Å; A488-F492 PolarHBondContact O-N 3.08Å; V489-F492 WeakPolarHBondContact O-CB 3.07Å; V489-F492 PolarHBondContact O-N 3.44Å; F492-L495 PolarHBondContact O-N 2.85Å; F492-K496 HydrophobicContact CD1-CD 4.44Å; F492-K496 HydrophobicContact CE1-CD 4.31Å; F492-K496 HydrophobicContact CZ-CD 4.45Å; F492-K496 WeakPolarHBondContact O-CB 3.11Å; F492-K496 WeakPolarHBondContact O-CG 3.43Å; F492-K496 PolarHBondContact O-N 2.84Å
493E91.7Very high80.9Confident122 Ų122100.7 Ų100.757%0.5753%0.526SS*.Hα-helixtrans-67.9-41.8172.7-72.2-167.5155.300112.3V489 L495 K496 A497V489-E493 WeakPolarHBondContact O-CG 3.33Å; V489-E493 PolarHBondContact O-N 3.42Å; E493-L495 VanDerWaalsContact C-N 3.33Å; E493-L495 PolarHBondContact O-N 3.37Å; E493-K496 PolarHBondContact O-N 3.2Å; E493-A497 WeakPolarHBondContact O-CB 3.25Å; E493-A497 PolarHBondContact O-N 3.22Å
494A91.3Very high82.3Confident63 Ų6398.9 Ų98.952%0.52151%0.509SS..Hα-helixtrans-61.8-39.7173.700000112.1T490 T491 A497 R498T490-A494 WeakPolarHBondContact O-CB 3.39Å; T490-A494 PolarHBondContact O-N 3.34Å; T491-A494 PolarHBondContact O-N 3.25Å; A494-A497 PolarHBondContact O-N 2.89Å; A494-R498 WeakPolarHBondContact O-CB 3.35Å; A494-R498 PolarHBondContact O-N 2.83Å
495L93.9Very high82.8Confident109 Ų10999.4 Ų99.457%0.57151%0.506SS*.Hα-helixtrans-66.4-43.2173.8-74.1169.3000111.6T491 F492 E493 A497 R498 V499T491-L495 WeakPolarHBondContact O-CB 3.27Å; T491-L495 VanDerWaalsContact O-CG 3.25Å; T491-L495 WeakPolarHBondContact O-CG 3.48Å; T491-L495 PolarHBondContact O-N 3.12Å; F492-L495 PolarHBondContact O-N 2.85Å; E493-L495 VanDerWaalsContact C-N 3.33Å; E493-L495 PolarHBondContact O-N 3.37Å; L495-A497 PolarHBondContact O-N 2.86Å; L495-R498 CarbonylContact O-C 3.29Å; L495-R498 PolarHBondContact O-N 3.06Å; L495-V499 WeakPolarHBondContact O-CG2 3.43Å; L495-V499 PolarHBondContact O-N 2.86Å
496K93.9Very high83.4Confident106 Ų10695 Ų9546%0.46149%0.488SS..Hα-helixtrans-60.7-42.5173.1-80.2173.6172.3173.40112.6F492 E493 R498 V499 R500F492-K496 HydrophobicContact CD1-CD 4.44Å; F492-K496 HydrophobicContact CE1-CD 4.31Å; F492-K496 HydrophobicContact CZ-CD 4.45Å; F492-K496 WeakPolarHBondContact O-CB 3.11Å; F492-K496 WeakPolarHBondContact O-CG 3.43Å; F492-K496 PolarHBondContact O-N 2.84Å; E493-K496 PolarHBondContact O-N 3.2Å; K496-R498 VanDerWaalsContact C-N 3.33Å; K496-V499 PolarHBondContact O-N 2.94Å; K496-R500 WeakPolarHBondContact O-CG 3.36Å; K496-R500 PolarHBondContact O-N 3.49Å
497A92.9Very high83.9Confident58 Ų5894 Ų9448%0.47949%0.49SS..Hα-helixtrans-63.2-41.2175.500000111.1E493 A494 L495 R500 E501E493-A497 WeakPolarHBondContact O-CB 3.25Å; E493-A497 PolarHBondContact O-N 3.22Å; A494-A497 PolarHBondContact O-N 2.89Å; L495-A497 PolarHBondContact O-N 2.86Å; A497-R500 PolarHBondContact O-N 3.4Å; A497-E501 WeakPolarHBondContact O-CB 3.4Å; A497-E501 PolarHBondContact O-N 3.4Å
498R91.8Very high84Confident174 Ų17498.5 Ų98.566%0.65750%0.499SS*.Hα-helixtrans-66.9-38174.9-172.2171.8-177.2147.70.8112.9A494 L495 K496 E501 L502A494-R498 WeakPolarHBondContact O-CB 3.35Å; A494-R498 PolarHBondContact O-N 2.83Å; L495-R498 CarbonylContact O-C 3.29Å; L495-R498 PolarHBondContact O-N 3.06Å; K496-R498 VanDerWaalsContact C-N 3.33Å; R498-E501 PolarHBondContact O-N 3.17Å; R498-L502 HydrophobicContact CG-CD1 4.32Å; R498-L502 WeakPolarHBondContact O-CB 3.4Å; R498-L502 VanDerWaalsContact O-CG 3.27Å; R498-L502 WeakPolarHBondContact O-CG 3.4Å; R498-L502 PolarHBondContact O-N 3.41Å
499V92.8Very high83.7Confident74 Ų7497.3 Ų97.345%0.44849%0.492SS..Hα-helixtrans-63.6-48.6173.2168.20000110.1L495 K496 E501 L502 E503L495-V499 WeakPolarHBondContact O-CG2 3.43Å; L495-V499 PolarHBondContact O-N 2.86Å; K496-V499 PolarHBondContact O-N 2.94Å; V499-E501 VanDerWaalsContact C-N 3.31Å; V499-E501 PolarHBondContact O-N 3.27Å; V499-L502 CarbonylContact O-C 3.6Å; V499-L502 WeakPolarHBondContact O-CB 3.38Å; V499-L502 PolarHBondContact O-N 3.46Å; V499-L502 VanDerWaalsContact O-N 3.11Å; V499-E503 HydrophobicContact CG1-CG 4.32Å; V499-E503 WeakPolarHBondContact O-CB 3.41Å; V499-E503 WeakPolarHBondContact O-CG 3.48Å; V499-E503 PolarHBondContact O-N 3.05Å
500R91.9Very high83.3Confident185 Ų18597.4 Ų97.470%0.69849%0.49SS*.Hα-helixtrans-60.5-37.5175.2-73.9177.7175.4-179.5-1.5113.2K496 A497 R504K496-R500 WeakPolarHBondContact O-CG 3.36Å; K496-R500 PolarHBondContact O-N 3.49Å; A497-R500 PolarHBondContact O-N 3.4Å; R500-R504 VanDerWaalsContact O-CB 3.31Å; R500-R504 WeakPolarHBondContact O-CB 3.43Å; R500-R504 PolarHBondContact O-N 3.19Å
501E88Confident82.9Confident65 Ų65100.6 Ų100.630%0.30449%0.493SS..Hα-helixtrans-68.1-38.7174.6175.253.3-147.400111.7A497 R498 V499 R504 Q505A497-E501 WeakPolarHBondContact O-CB 3.4Å; A497-E501 PolarHBondContact O-N 3.4Å; R498-E501 PolarHBondContact O-N 3.17Å; V499-E501 VanDerWaalsContact C-N 3.31Å; V499-E501 PolarHBondContact O-N 3.27Å; E501-R504 WeakPolarHBondContact O-CB 3.48Å; E501-R504 PolarHBondContact O-N 3.47Å; E501-R504 IonicContact OE1-CZ 3.48Å; E501-R504 IonicContact OE1-NE 3.7Å; E501-R504 IonicContact OE1-NH2 2.68Å; E501-R504 PolarHBondContact OE1-NH2 3.46Å; E501-R504 IonicContact OE2-CZ 3.15Å; E501-R504 IonicContact OE2-NE 2.76Å; E501-R504 PolarHBondContact OE2-NE 3.2Å; E501-R504 IonicContact OE2-NH2 2.73Å; E501-R504 PolarHBondContact OE2-NH2 3.39Å; E501-Q505 WeakPolarHBondContact O-CG 3.37Å; E501-Q505 PolarHBondContact O-N 3.32Å; E501-Q505 PolarHBondContact OE1-NE2 2.99Å
502L83Confident82.7Confident84 Ų84101.6 Ų101.644%0.4449%0.489SS..Hα-helixtrans-66.3-46172-72.4168.1000111.1R498 V499 R504 Q505 L506R498-L502 HydrophobicContact CG-CD1 4.32Å; R498-L502 WeakPolarHBondContact O-CB 3.4Å; R498-L502 VanDerWaalsContact O-CG 3.27Å; R498-L502 WeakPolarHBondContact O-CG 3.4Å; R498-L502 PolarHBondContact O-N 3.41Å; V499-L502 CarbonylContact O-C 3.6Å; V499-L502 WeakPolarHBondContact O-CB 3.38Å; V499-L502 PolarHBondContact O-N 3.46Å; V499-L502 VanDerWaalsContact O-N 3.11Å; L502-R504 PolarHBondContact O-N 2.85Å; L502-Q505 CarbonylContact O-C 3.54Å; L502-Q505 WeakPolarHBondContact O-CA 3.44Å; L502-Q505 WeakPolarHBondContact O-CB 3.44Å; L502-Q505 PolarHBondContact O-N 3.21Å; L502-L506 WeakPolarHBondContact O-CB 3.46Å; L502-L506 WeakPolarHBondContact O-CG 3.46Å; L502-L506 PolarHBondContact O-N 3.39Å
503E86.1Confident82.7Confident107 Ų10799.8 Ų99.850%0.548%0.481SS..Hα-helixtrans-55.4-38.2172-71.4167.7165.900111.8V499 L506 S507V499-E503 HydrophobicContact CG1-CG 4.32Å; V499-E503 WeakPolarHBondContact O-CB 3.41Å; V499-E503 WeakPolarHBondContact O-CG 3.48Å; V499-E503 PolarHBondContact O-N 3.05Å; E503-L506 PolarHBondContact O-N 3.23Å; E503-S507 WeakPolarHBondContact O-CB 3.12Å; E503-S507 PolarHBondContact O-N 3.04Å; E503-S507 PolarHBondContact O-OG 2.77Å
504R81.8Confident82.9Confident111 Ų11194 Ų9442%0.41945%0.454SS..Hα-helixtrans-67.7-40.6172.5-166.5-177.968.986.1-0.5112.5R500 E501 L502 L506 S507 R508R500-R504 VanDerWaalsContact O-CB 3.31Å; R500-R504 WeakPolarHBondContact O-CB 3.43Å; R500-R504 PolarHBondContact O-N 3.19Å; E501-R504 WeakPolarHBondContact O-CB 3.48Å; E501-R504 PolarHBondContact O-N 3.47Å; E501-R504 IonicContact OE1-CZ 3.48Å; E501-R504 IonicContact OE1-NE 3.7Å; E501-R504 IonicContact OE1-NH2 2.68Å; E501-R504 PolarHBondContact OE1-NH2 3.46Å; E501-R504 IonicContact OE2-CZ 3.15Å; E501-R504 IonicContact OE2-NE 2.76Å; E501-R504 PolarHBondContact OE2-NE 3.2Å; E501-R504 IonicContact OE2-NH2 2.73Å; E501-R504 PolarHBondContact OE2-NH2 3.39Å; L502-R504 PolarHBondContact O-N 2.85Å; R504-L506 VanDerWaalsContact C-N 3.35Å; R504-S507 WeakPolarHBondContact CA-OG 3.33Å; R504-S507 PolarHBondContact O-N 3.03Å; R504-S507 PolarHBondContact O-OG 3.43Å; R504-R508 WeakPolarHBondContact O-CB 3.34Å; R504-R508 WeakPolarHBondContact O-CG 3.39Å; R504-R508 PolarHBondContact O-N 2.9Å
505Q72.5Confident83Confident90 Ų9096.7 Ų96.742%0.42146%0.458SS..Hα-helixtrans-67.7-35.3174.2-71.2171.523.800112.3E501 L502E501-Q505 WeakPolarHBondContact O-CG 3.37Å; E501-Q505 PolarHBondContact O-N 3.32Å; E501-Q505 PolarHBondContact OE1-NE2 2.99Å; L502-Q505 CarbonylContact O-C 3.54Å; L502-Q505 WeakPolarHBondContact O-CA 3.44Å; L502-Q505 WeakPolarHBondContact O-CB 3.44Å; L502-Q505 PolarHBondContact O-N 3.21Å
506L72.3Confident83Confident77 Ų7794.8 Ų94.840%0.40345%0.448SS..Hα-helixtrans-64.8-43174-67.8168.3000111.2L502 E503 R504L502-L506 WeakPolarHBondContact O-CB 3.46Å; L502-L506 WeakPolarHBondContact O-CG 3.46Å; L502-L506 PolarHBondContact O-N 3.39Å; E503-L506 PolarHBondContact O-N 3.23Å; R504-L506 VanDerWaalsContact C-N 3.35Å
507S69.2Low83Confident96 Ų9692 Ų9267%0.67144%0.442SS*.Hα-helixtrans-83.1-13.9-178.950.10000115E503 R504 G509E503-S507 WeakPolarHBondContact O-CB 3.12Å; E503-S507 PolarHBondContact O-N 3.04Å; E503-S507 PolarHBondContact O-OG 2.77Å; R504-S507 WeakPolarHBondContact CA-OG 3.33Å; R504-S507 PolarHBondContact O-N 3.03Å; R504-S507 PolarHBondContact O-OG 3.43Å; S507-G509 PolarHBondContact O-N 3.38Å
508R68.4Low83Confident145 Ų14596.2 Ų96.255%0.54745%0.453SS..THydrogen-bonded Turntrans-70.2-3.3172.2-83.8173.572.4173.67.1114.7R504 D510R504-R508 WeakPolarHBondContact O-CB 3.34Å; R504-R508 WeakPolarHBondContact O-CG 3.39Å; R504-R508 PolarHBondContact O-N 2.9Å; R508-D510 IonicContact CZ-OD2 3.75Å; R508-D510 IonicContact NE-OD2 3.56Å; R508-D510 IonicContact NH2-OD2 3.55Å; R508-D510 PolarHBondContact O-N 3.13Å; R508-D510 VanDerWaalsContact O-N 3.08Å
509G63.6Low83Confident27 Ų2793.2 Ų93.228%0.27845%0.45SS..SBendtrans73-6.9178.700000115.2S507 R511 Y512S507-G509 PolarHBondContact O-N 3.38Å; G509-R511 PolarHBondContact O-N 3.21Å; G509-Y512 PolarHBondContact O-N 2.92Å
510D67.4Low82.9Confident78 Ų7893.5 Ų93.542%0.41746%0.456SS..THydrogen-bonded Turntrans-59.5-11.8-175-83.7-41.5000114.8R508 K513R508-D510 IonicContact CZ-OD2 3.75Å; R508-D510 IonicContact NE-OD2 3.56Å; R508-D510 IonicContact NH2-OD2 3.55Å; R508-D510 PolarHBondContact O-N 3.13Å; R508-D510 VanDerWaalsContact O-N 3.08Å; D510-K513 VanDerWaalsContact OD1-CE 3.28Å; D510-K513 WeakPolarHBondContact OD1-CE 3.33Å; D510-K513 IonicContact OD1-NZ 2.88Å; D510-K513 PolarHBondContact OD1-NZ 2.87Å
511R71.6Confident83Confident149 Ų14987.4 Ų87.456%0.56243%0.433SS*.THydrogen-bonded Turntrans-82.9-20.1176-56.9-158.7-56172.80.4115G509G509-R511 PolarHBondContact O-N 3.21Å
512Y82.6Confident83.2Confident96 Ų9687.9 Ų87.938%0.37644%0.443SS..SBendtrans-117.562.5-169.4-55.9-71000111G509 Y521G509-Y512 PolarHBondContact O-N 2.92Å; Y512-Y521 VanDerWaalsContact C-CD2 3.49Å; Y512-Y521 WeakPolarHBondContact O-CD2 3.5Å; Y512-Y521 PolarHBondContact O-N 3.37Å
513K91.1Very high83.8Confident80 Ų8088.4 Ų88.435%0.34845%0.445SS..BIsolated β-bridgetrans-109.8141.1178.4-69.1176.1172.9177.40111.3D510 M518 D519 Y521D510-K513 VanDerWaalsContact OD1-CE 3.28Å; D510-K513 WeakPolarHBondContact OD1-CE 3.33Å; D510-K513 IonicContact OD1-NZ 2.88Å; D510-K513 PolarHBondContact OD1-NZ 2.87Å; K513-M518 WeakPolarHBondContact CD-O 3.39Å; K513-D519 CarbonylContact C-O 3.54Å; K513-D519 VanDerWaalsContact CA-O 3.26Å; K513-D519 WeakPolarHBondContact CA-O 3.3Å; K513-Y521 PolarHBondContact O-OH 3.42Å
514C94.4Very high84.3Confident1 Ų184.1 Ų84.11%0.00743%0.426CS..  trans-74.6128.4174.5177.40000110.2I516 M518 D519 Y521 H534 C535C514-I516 PolarHBondContact O-N 3.29Å; C514-M518 WeakPolarHBondContact O-CA 3.45Å; C514-M518 PolarHBondContact O-N 3.17Å; C514-D519 PolarHBondContact N-O 3.16Å; C514-Y521 VanDerWaalsContact CA-CE1 3.49Å; C514-Y521 HydrophobicContact CB-CD1 3.77Å; C514-Y521 HydrophobicContact CB-CE1 3.65Å; C514-H534 PolarHBondContact SG-ND1 2.85Å; C514-H534 VanDerWaalsContact SG-ND1 3.41Å; C514-C535 WeakPolarHBondContact CB-SG 3.45Å
515L93.3Very high85Confident118 Ų11878.8 Ų78.862%0.61841%0.406SS*.THydrogen-bonded Turntrans-67.6-3.5-178.7-57.5-179000114.9Q551L515-Q551 HydrophobicContact CD1-CG 4.28Å
516I94.6Very high86.1Confident70 Ų7074.9 Ų74.936%0.35939%0.388SS..THydrogen-bonded Turntrans-100.2-56.7-179.8-64.9167.4000111.2C514 H534 C538 P550C514-I516 PolarHBondContact O-N 3.29Å; I516-H534 HydrophobicContact CD1-CB 4.33Å; I516-H534 WeakPolarHBondContact CD1-ND1 3.33Å; I516-C538 HydrophobicContact CB-CB 3.93Å; I516-C538 HydrophobicContact CD1-CB 3.75Å; I516-C538 HydrophobicContact CG1-CB 4.44Å; I516-C538 HydrophobicContact CG2-CB 3.9Å; I516-P550 HydrophobicContact CD1-CB 3.71Å; I516-P550 HydrophobicContact CD1-CG 3.71Å; I516-P550 HydrophobicContact CG1-CB 4.46Å
517C94.3Very high87.3Confident48 Ų4871.2 Ų71.232%0.32437%0.369SS..THydrogen-bonded Turntrans-87.3-10.6177.661.10000113.7D519 C535C517-D519 PolarHBondContact O-N 3.35Å; C517-C535 VanDerWaalsContact SG-SG 3.68Å
518M92.3Very high88.5Confident146 Ų14667.5 Ų67.572%0.71934%0.342SS*.  trans63.7-5-175.7-51.8-172.1-175.500115.8K513 C514K513-M518 WeakPolarHBondContact CD-O 3.39Å; C514-M518 WeakPolarHBondContact O-CA 3.45Å; C514-M518 PolarHBondContact O-N 3.17Å
519D91.6Very high89.7Confident110 Ų11065.2 Ų65.259%0.58834%0.337SS*.SBendtrans-82.6170.4172.9-62.4-48.6000113.1K513 C514 C517K513-D519 CarbonylContact C-O 3.54Å; K513-D519 VanDerWaalsContact CA-O 3.26Å; K513-D519 WeakPolarHBondContact CA-O 3.3Å; C514-D519 PolarHBondContact N-O 3.16Å; C517-D519 PolarHBondContact O-N 3.35Å
520S91.2Very high91.2Very high81 Ų8164.9 Ų64.957%0.56633%0.33SS*.BIsolated β-bridgetrans-55.2147166.6-56.70000111.2S522S520-S522 PolarHBondContact O-N 3.47Å
521Y93.3Very high92.6Very high56 Ų5668.6 Ų68.622%0.2234%0.339CS..  trans-61.8112-177.1-68.9-78.8000113.3Y512 K513 C514 P524 V533 L566Y512-Y521 VanDerWaalsContact C-CD2 3.49Å; Y512-Y521 WeakPolarHBondContact O-CD2 3.5Å; Y512-Y521 PolarHBondContact O-N 3.37Å; K513-Y521 PolarHBondContact O-OH 3.42Å; C514-Y521 VanDerWaalsContact CA-CE1 3.49Å; C514-Y521 HydrophobicContact CB-CD1 3.77Å; C514-Y521 HydrophobicContact CB-CE1 3.65Å; Y521-P524 HydrophobicContact CD1-CB 4.13Å; Y521-P524 HydrophobicContact CG-CB 4.11Å; Y521-V533 HydrophobicContact CD1-CG1 4.09Å; Y521-V533 HydrophobicContact CE1-CB 4.3Å; Y521-V533 HydrophobicContact CE1-CG1 3.72Å; Y521-L566 HydrophobicContact CD2-CD1 3.48Å; Y521-L566 VanDerWaalsContact CD2-CD1 3.48Å; Y521-L566 HydrophobicContact CE2-CD1 3.91Å; Y521-L566 HydrophobicContact CG-CD1 3.93Å
522S93.6Very high93.8Very high75 Ų7564 Ų6452%0.52432%0.324SS..SBendtrans-86.7114.7162.8-175.20000108.9S520 C535 E536S520-S522 PolarHBondContact O-N 3.47Å; S522-C535 PolarHBondContact N-SG 3.44Å; S522-C535 VanDerWaalsContact N-SG 3.38Å; S522-C535 VanDerWaalsContact O-CA 3.29Å; S522-C535 WeakPolarHBondContact O-CA 3.34Å; S522-C535 WeakPolarHBondContact O-CB 3.5Å; S522-E536 PolarHBondContact O-N 3.01Å
523M95.1Very high94.5Very high95 Ų9560.8 Ų60.847%0.46831%0.314SS..SBendtrans48.470-178.4-62-173-68.500112.6L525 E536 R563M523-L525 PolarHBondContact O-N 2.92Å; M523-E536 HydrophobicContact CB-CB 3.97Å; M523-E536 WeakPolarHBondContact CB-OE2 3.38Å; M523-E536 WeakPolarHBondContact CE-OE2 3.33Å; M523-E536 WeakPolarHBondContact O-CB 3.39Å; M523-E536 PolarHBondContact O-N 3.38Å; M523-R563 PolarHBondContact SD-NH1 2.98Å
524P96Very high94.7Very high17 Ų1757 Ų5711%0.1130%0.298CS..EExtended strand (participates in β ladder)trans-62.9128.9-17722.6-29.9000111.8Y521 V533 H534 I564 L566Y521-P524 HydrophobicContact CD1-CB 4.13Å; Y521-P524 HydrophobicContact CG-CB 4.11Å; P524-V533 HydrophobicContact CB-CG1 3.79Å; P524-H534 WeakPolarHBondContact CA-O 3.38Å; P524-I564 HydrophobicContact CB-CD1 4.42Å; P524-I564 HydrophobicContact CB-CG1 3.91Å; P524-I564 HydrophobicContact CG-CG1 4.15Å; P524-I564 WeakPolarHBondContact O-CG1 3.27Å; P524-I564 PolarHBondContact O-N 3.37Å; P524-L566 HydrophobicContact CB-CD1 3.82Å; P524-L566 HydrophobicContact CB-CG 4.33Å; P524-L566 HydrophobicContact CG-CD1 3.92Å; P524-L566 HydrophobicContact CG-CG 4.06Å
525L96.9Very high94.9Very high0 Ų057.3 Ų57.30%030%0.299CS..EExtended strand (participates in β ladder)trans-113.5144169.7-42.1-178.4000110.1Y409 M523 V533 H534 E536 W539 L561 R562 R563Y409-L525 HydrophobicContact CD2-CD1 4.29Å; Y409-L525 HydrophobicContact CE1-CD1 4.33Å; Y409-L525 HydrophobicContact CE2-CD1 3.63Å; Y409-L525 HydrophobicContact CE2-CD2 3.87Å; Y409-L525 HydrophobicContact CE2-CG 4.39Å; Y409-L525 WeakPolarHBondContact OH-CD2 3.48Å; M523-L525 PolarHBondContact O-N 2.92Å; L525-V533 WeakPolarHBondContact O-CA 3.42Å; L525-H534 PolarHBondContact N-O 2.97Å; L525-H534 PolarHBondContact O-N 2.89Å; L525-H534 VanDerWaalsContact O-N 3.11Å; L525-E536 HydrophobicContact CD1-CB 3.97Å; L525-E536 HydrophobicContact CD1-CG 4.13Å; L525-E536 HydrophobicContact CD2-CB 4.32Å; L525-E536 HydrophobicContact CG-CB 4.03Å; L525-W539 HydrophobicContact CD1-CB 4.38Å; L525-W539 PolarHBondContact O-NE1 3.48Å; L525-L561 HydrophobicContact CD1-CB 4.21Å; L525-L561 HydrophobicContact CD1-CD1 3.95Å; L525-R562 CarbonylContact C-O 3.56Å; L525-R562 VanDerWaalsContact CA-O 3.3Å; L525-R562 WeakPolarHBondContact CA-O 3.19Å; L525-R563 HydrophobicContact CD2-CB 4.11Å; L525-R563 HydrophobicContact CD2-CG 3.42Å; L525-R563 VanDerWaalsContact CD2-CG 3.42Å
526T96.6Very high95Very high8 Ų852.8 Ų52.85%0.04928%0.275CS..EExtended strand (participates in β ladder)trans-110.4153.2166.4-161.30000110.7W531 H532 L561 R562 I564T526-W531 HydrophobicContact CG2-CE3 4.27Å; T526-W531 HydrophobicContact CG2-CZ3 4.41Å; T526-W531 VanDerWaalsContact OG1-C 3.23Å; T526-W531 WeakPolarHBondContact OG1-CA 3.44Å; T526-W531 PolarHBondContact OG1-O 3.43Å; T526-H532 WeakPolarHBondContact CA-O 3.25Å; T526-H532 PolarHBondContact OG1-O 2.96Å; T526-L561 CarbonylContact O-C 3.6Å; T526-L561 WeakPolarHBondContact O-CA 3.19Å; T526-R562 PolarHBondContact N-O 3.49Å; T526-R562 PolarHBondContact O-N 3.36Å; T526-I564 HydrophobicContact CG2-CG2 3.67Å
527S96Very high95.1Very high0 Ų054.4 Ų54.40%028%0.281CS..EExtended strand (participates in β ladder)trans-95.1127.5169.7165.80000109.5Q529 C530 W531 T556S527-Q529 PolarHBondContact O-N 3.34Å; S527-Q529 VanDerWaalsContact O-N 3.15Å; S527-Q529 PolarHBondContact OG-N 2.9Å; S527-C530 PolarHBondContact O-N 2.94Å; S527-W531 VanDerWaalsContact O-CA 3.32Å; S527-W531 WeakPolarHBondContact O-CA 3.4Å; S527-W531 PolarHBondContact O-N 3.47Å; S527-T556 WeakPolarHBondContact OG-CG2 3.44Å
528I94.6Very high95.2Very high18 Ų1852.8 Ų52.89%0.09227%0.27CS..THydrogen-bonded Turntrans-60.9-23.4177.164.9-176.6000112.6Y404 W531 D560 R562Y404-I528 HydrophobicContact CD1-CB 4.07Å; Y404-I528 HydrophobicContact CD1-CG2 3.51Å; Y404-I528 HydrophobicContact CD2-CD1 4.32Å; Y404-I528 HydrophobicContact CE1-CB 4.23Å; Y404-I528 HydrophobicContact CE1-CG2 4.1Å; Y404-I528 HydrophobicContact CG-CB 4.34Å; Y404-I528 HydrophobicContact CG-CD1 4.3Å; Y404-I528 HydrophobicContact CG-CG2 3.85Å; I528-W531 PolarHBondContact O-NE1 3.31Å; I528-D560 HydrophobicContact CG1-CB 3.99Å; I528-D560 PolarHBondContact N-O 2.96Å; I528-R562 HydrophobicContact CG2-CG 3.85Å
529Q93.8Very high95.4Very high96 Ų9645.9 Ų45.945%0.44924%0.236SC..THydrogen-bonded Turntrans-77.6-26-178.5-55-60.4-22.700113.8S527 T554 D560S527-Q529 PolarHBondContact O-N 3.34Å; S527-Q529 VanDerWaalsContact O-N 3.15Å; S527-Q529 PolarHBondContact OG-N 2.9Å; Q529-T554 HydrophobicContact CB-CG2 4.36Å; Q529-D560 HydrophobicContact CG-CB 4.02Å; Q529-D560 VanDerWaalsContact CG-CG 3.46Å; Q529-D560 PolarHBondContact NE2-OD1 2.82Å
530C95.8Very high95.7Very high21 Ų2141.1 Ų41.114%0.14221%0.211CC..THydrogen-bonded Turntrans-148.3-1.5-170.770.20000115.9S527 H532 C549 T554S527-C530 PolarHBondContact O-N 2.94Å; C530-H532 PolarHBondContact O-CE1 3.48Å; C530-H532 PolarHBondContact O-N 3.16Å; C530-H532 PolarHBondContact O-ND1 3.2Å; C530-H532 PolarHBondContact SG-ND1 3.46Å; C530-H532 VanDerWaalsContact SG-ND1 3.37Å; C530-C549 PolarHBondContact SG-SG 2.92Å; C530-T554 HydrophobicContact CB-CG2 4.46Å
531W96Very high95.9Very high155 Ų15543.4 Ų43.459%0.58721%0.207SC*.  trans58.99.9172.8-57.991.8000117Y404 T526 S527 I528Y404-W531 HydrophobicContact CD1-CH2 4.45Å; Y404-W531 AromaticContact CE1-CH2 3.75Å; Y404-W531 HydrophobicContact CE1-CH2 3.75Å; Y404-W531 AromaticContact CE1-CZ2 3.76Å; Y404-W531 HydrophobicContact CE1-CZ2 3.76Å; T526-W531 HydrophobicContact CG2-CE3 4.27Å; T526-W531 HydrophobicContact CG2-CZ3 4.41Å; T526-W531 VanDerWaalsContact OG1-C 3.23Å; T526-W531 WeakPolarHBondContact OG1-CA 3.44Å; T526-W531 PolarHBondContact OG1-O 3.43Å; S527-W531 VanDerWaalsContact O-CA 3.32Å; S527-W531 WeakPolarHBondContact O-CA 3.4Å; S527-W531 PolarHBondContact O-N 3.47Å; I528-W531 PolarHBondContact O-NE1 3.31Å
532H96.6Very high96Very high54 Ų5442.4 Ų42.425%0.2521%0.206CC..  trans-73.5141174.2-64.2105.7000111.8T526 C530 W539 Q551 C552T526-H532 WeakPolarHBondContact CA-O 3.25Å; T526-H532 PolarHBondContact OG1-O 2.96Å; C530-H532 PolarHBondContact O-CE1 3.48Å; C530-H532 PolarHBondContact O-N 3.16Å; C530-H532 PolarHBondContact O-ND1 3.2Å; C530-H532 PolarHBondContact SG-ND1 3.46Å; C530-H532 VanDerWaalsContact SG-ND1 3.37Å; H532-W539 WeakPolarHBondContact O-CZ2 3.38Å; H532-Q551 HydrophobicContact CB-CB 4.4Å; H532-Q551 PolarHBondContact CD2-OE1 3Å; H532-C552 PolarHBondContact CE1-SG 3.39Å; H532-C552 PolarHBondContact ND1-SG 3.07Å; H532-C552 VanDerWaalsContact ND1-SG 3.41Å
533V96.8Very high96.1Very high28 Ų2838.8 Ų38.817%0.1718%0.181CC..EExtended strand (participates in β ladder)trans-109.8133.6-174.6-173.90000111.7Y521 P524 L525 Q551 I564 L566Y521-V533 HydrophobicContact CD1-CG1 4.09Å; Y521-V533 HydrophobicContact CE1-CB 4.3Å; Y521-V533 HydrophobicContact CE1-CG1 3.72Å; P524-V533 HydrophobicContact CB-CG1 3.79Å; L525-V533 WeakPolarHBondContact O-CA 3.42Å; V533-Q551 PolarHBondContact O-NE2 3.31Å; V533-I564 HydrophobicContact CB-CD1 4.45Å; V533-I564 HydrophobicContact CG1-CD1 3.82Å; V533-I564 HydrophobicContact CG2-CD1 3.69Å; V533-L566 HydrophobicContact CG1-CD1 4.29Å
534H96.9Very high96Very high1 Ų135.7 Ų35.71%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-145.1165.3169.5-65.1-80.1000110.8C514 I516 P524 L525 C538 W539 Q551C514-H534 PolarHBondContact SG-ND1 2.85Å; C514-H534 VanDerWaalsContact SG-ND1 3.41Å; I516-H534 HydrophobicContact CD1-CB 4.33Å; I516-H534 WeakPolarHBondContact CD1-ND1 3.33Å; P524-H534 WeakPolarHBondContact CA-O 3.38Å; L525-H534 PolarHBondContact N-O 2.97Å; L525-H534 PolarHBondContact O-N 2.89Å; L525-H534 VanDerWaalsContact O-N 3.11Å; H534-C538 HydrophobicContact CB-CB 4.25Å; H534-W539 HydrophobicContact CB-CG 4.18Å; H534-W539 AromaticContact CD2-CE2 3.97Å; H534-Q551 PolarHBondContact CE1-NE2 3.31Å; H534-Q551 WeakPolarHBondContact NE2-CG 3.42Å; H534-Q551 PolarHBondContact NE2-NE2 3.42Å
535C96.8Very high95.8Very high6 Ų638 Ų384%0.04119%0.194CC..EExtended strand (participates in β ladder)trans-59149.4168-53.20000111.1C514 C517 S522 E537 C538 W539C514-C535 WeakPolarHBondContact CB-SG 3.45Å; C517-C535 VanDerWaalsContact SG-SG 3.68Å; S522-C535 PolarHBondContact N-SG 3.44Å; S522-C535 VanDerWaalsContact N-SG 3.38Å; S522-C535 VanDerWaalsContact O-CA 3.29Å; S522-C535 WeakPolarHBondContact O-CA 3.34Å; S522-C535 WeakPolarHBondContact O-CB 3.5Å; C535-E537 PolarHBondContact O-N 3.45Å; C535-C538 HydrophobicContact CB-CB 4.18Å; C535-C538 WeakPolarHBondContact O-CB 3.5Å; C535-C538 PolarHBondContact O-N 3.34Å; C535-W539 PolarHBondContact O-N 3.02Å
536E96.8Very high95.5Very high23 Ų2344.4 Ų44.411%0.10722%0.222CC..Hα-helixtrans-48.8-54.4176.3172.4164.8-15600113.2Y409 S522 M523 L525 C538 W539 L540 R563Y409-E536 HydrophobicContact CE1-CG 4.24Å; Y409-E536 WeakPolarHBondContact CE1-OE1 3.48Å; Y409-E536 PolarHBondContact OH-OE1 3.37Å; Y409-E536 PolarHBondContact OH-OE2 3.15Å; S522-E536 PolarHBondContact O-N 3.01Å; M523-E536 HydrophobicContact CB-CB 3.97Å; M523-E536 WeakPolarHBondContact CB-OE2 3.38Å; M523-E536 WeakPolarHBondContact CE-OE2 3.33Å; M523-E536 WeakPolarHBondContact O-CB 3.39Å; M523-E536 PolarHBondContact O-N 3.38Å; L525-E536 HydrophobicContact CD1-CB 3.97Å; L525-E536 HydrophobicContact CD1-CG 4.13Å; L525-E536 HydrophobicContact CD2-CB 4.32Å; L525-E536 HydrophobicContact CG-CB 4.03Å; E536-C538 VanDerWaalsContact C-N 3.3Å; E536-C538 PolarHBondContact O-N 3.08Å; E536-W539 PolarHBondContact O-N 3.33Å; E536-L540 HydrophobicContact CG-CD1 3.81Å; E536-L540 WeakPolarHBondContact O-CG 3.31Å; E536-L540 PolarHBondContact O-N 2.9Å; E536-R563 IonicContact OE1-CZ 2.65Å; E536-R563 IonicContact OE1-NH1 3.56Å; E536-R563 IonicContact OE1-NH2 3.96Å; E536-R563 PolarHBondContact OE1-NH2 3.45Å; E536-R563 IonicContact OE2-CZ 3.99Å; E536-R563 VanDerWaalsContact OE2-CZ 3.23Å; E536-R563 IonicContact OE2-NH1 3.23Å; E536-R563 PolarHBondContact OE2-NH1 2.88Å; E536-R563 IonicContact OE2-NH2 3.72Å; E536-R563 PolarHBondContact OE2-NH2 3.38Å
537E96.5Very high95.4Very high104 Ų10448 Ų4849%0.48624%0.237SC..Hα-helixtrans-60.9-37.3177.2-74.3-165.2-136.500113.3I415 C535 W539 L540 R541I415-E537 HydrophobicContact CD1-CG 4.37Å; C535-E537 PolarHBondContact O-N 3.45Å; E537-W539 VanDerWaalsContact C-N 3.35Å; E537-L540 PolarHBondContact O-N 2.93Å; E537-R541 VanDerWaalsContact O-CB 3.27Å; E537-R541 WeakPolarHBondContact O-CB 3.43Å; E537-R541 WeakPolarHBondContact O-CG 3.43Å; E537-R541 PolarHBondContact O-N 3.45Å; E537-R541 IonicContact OE2-CZ 3.97Å; E537-R541 IonicContact OE2-NE 2.71Å; E537-R541 PolarHBondContact OE2-NE 3.47Å; E537-R541 IonicContact OE2-NH2 2.75Å; E537-R541 PolarHBondContact OE2-NH2 2.86Å
538C96.6Very high95.4Very high15 Ų1550.7 Ų50.710%0.10125%0.251CS..Hα-helixtrans-68.2-37.8-179-62.90000111.4I516 H534 C535 E536 T542I516-C538 HydrophobicContact CB-CB 3.93Å; I516-C538 HydrophobicContact CD1-CB 3.75Å; I516-C538 HydrophobicContact CG1-CB 4.44Å; I516-C538 HydrophobicContact CG2-CB 3.9Å; H534-C538 HydrophobicContact CB-CB 4.25Å; C535-C538 HydrophobicContact CB-CB 4.18Å; C535-C538 WeakPolarHBondContact O-CB 3.5Å; C535-C538 PolarHBondContact O-N 3.34Å; E536-C538 VanDerWaalsContact C-N 3.3Å; E536-C538 PolarHBondContact O-N 3.08Å; C538-T542 WeakPolarHBondContact O-CB 3.4Å; C538-T542 PolarHBondContact O-N 3.33Å; C538-T542 PolarHBondContact O-OG1 2.92Å
539W97Very high95.4Very high0 Ų049.9 Ų49.90%025%0.247CC..Hα-helixtrans-63.9-55.8170.3-93.7119.5000111.2L525 H532 H534 C535 E536 E537 R541 T542 L543 C549 P550 T556 L561L525-W539 HydrophobicContact CD1-CB 4.38Å; L525-W539 PolarHBondContact O-NE1 3.48Å; H532-W539 WeakPolarHBondContact O-CZ2 3.38Å; H534-W539 HydrophobicContact CB-CG 4.18Å; H534-W539 AromaticContact CD2-CE2 3.97Å; C535-W539 PolarHBondContact O-N 3.02Å; E536-W539 PolarHBondContact O-N 3.33Å; E537-W539 VanDerWaalsContact C-N 3.35Å; W539-R541 PolarHBondContact O-N 2.9Å; W539-T542 PolarHBondContact O-N 3.01Å; W539-L543 HydrophobicContact CE3-CD1 4.29Å; W539-L543 HydrophobicContact CE3-CD2 4.36Å; W539-L543 HydrophobicContact CE3-CG 4.18Å; W539-L543 HydrophobicContact CZ3-CD2 4.35Å; W539-L543 WeakPolarHBondContact O-CG 3.34Å; W539-L543 PolarHBondContact O-N 3.19Å; W539-C549 HydrophobicContact CH2-CB 3.97Å; W539-C549 HydrophobicContact CZ3-CB 4.37Å; W539-P550 HydrophobicContact CE3-CG 4.31Å; W539-P550 HydrophobicContact CZ3-CG 4.35Å; W539-T556 HydrophobicContact CH2-CG2 4.06Å; W539-T556 HydrophobicContact CZ3-CG2 3.76Å; W539-L561 HydrophobicContact CB-CD1 3.86Å; W539-L561 HydrophobicContact CD2-CD1 4.32Å; W539-L561 HydrophobicContact CD2-CD2 3.59Å; W539-L561 HydrophobicContact CE3-CD1 4.48Å; W539-L561 HydrophobicContact CE3-CD2 3.79Å; W539-L561 HydrophobicContact CG-CD1 4.09Å; W539-L561 HydrophobicContact CG-CD2 4.01Å; W539-L561 HydrophobicContact CH2-CD2 4.22Å; W539-L561 HydrophobicContact CZ2-CD2 4.07Å; W539-L561 HydrophobicContact CZ3-CD2 4.08Å
540L96.6Very high95.5Very high11 Ų1147.3 Ų47.36%0.05824%0.238CC..Hα-helixtrans-63.8-38.2-173.5-64.8172000112.7Y409 D413 I415 E536 E537 G544 L561Y409-L540 HydrophobicContact CD1-CD1 4.36Å; Y409-L540 HydrophobicContact CD1-CD2 4.05Å; Y409-L540 HydrophobicContact CE1-CD1 4.2Å; D413-L540 HydrophobicContact CB-CD2 4.3Å; I415-L540 HydrophobicContact CD1-CB 3.99Å; I415-L540 HydrophobicContact CG1-CB 4.04Å; I415-L540 PolarHBondContact N-O 3.44Å; E536-L540 HydrophobicContact CG-CD1 3.81Å; E536-L540 WeakPolarHBondContact O-CG 3.31Å; E536-L540 PolarHBondContact O-N 2.9Å; E537-L540 PolarHBondContact O-N 2.93Å; L540-G544 PolarHBondContact O-N 2.9Å; L540-L561 HydrophobicContact CD2-CD1 4.48Å
541R95.6Very high95.4Very high129 Ų12949.9 Ų49.949%0.48725%0.248SC..Hα-helixtrans-65.8-40171.9-69172.3-168-89.54.2112.1I415 E537 W539 G544 A545I415-R541 HydrophobicContact CB-CG 3.93Å; I415-R541 HydrophobicContact CD1-CG 3.87Å; I415-R541 HydrophobicContact CG2-CG 3.85Å; E537-R541 VanDerWaalsContact O-CB 3.27Å; E537-R541 WeakPolarHBondContact O-CB 3.43Å; E537-R541 WeakPolarHBondContact O-CG 3.43Å; E537-R541 PolarHBondContact O-N 3.45Å; E537-R541 IonicContact OE2-CZ 3.97Å; E537-R541 IonicContact OE2-NE 2.71Å; E537-R541 PolarHBondContact OE2-NE 3.47Å; E537-R541 IonicContact OE2-NH2 2.75Å; E537-R541 PolarHBondContact OE2-NH2 2.86Å; W539-R541 PolarHBondContact O-N 2.9Å; R541-G544 PolarHBondContact O-N 3.22Å; R541-A545 PolarHBondContact O-N 2.71Å
542T95.1Very high95.5Very high34 Ų3444.9 Ų44.921%0.20924%0.236CC..Hα-helixtrans-67.3-44.5177.9-54.90000111.1C538 W539 G544 A545 K546 P550C538-T542 WeakPolarHBondContact O-CB 3.4Å; C538-T542 PolarHBondContact O-N 3.33Å; C538-T542 PolarHBondContact O-OG1 2.92Å; W539-T542 PolarHBondContact O-N 3.01Å; T542-G544 PolarHBondContact O-N 2.71Å; T542-A545 PolarHBondContact O-N 3.18Å; T542-K546 PolarHBondContact O-N 2.79Å; T542-P550 HydrophobicContact CG2-CB 4.2Å; T542-P550 HydrophobicContact CG2-CG 3.83Å
543L95.3Very high95.4Very high0 Ų047.4 Ų47.40%025%0.252CS..Hα-helixtrans-66.2-16.6175.9-63.9-173.4000113.6V414 W539 K546 K547 T556 P558 L561V414-L543 HydrophobicContact CG2-CB 4.5Å; W539-L543 HydrophobicContact CE3-CD1 4.29Å; W539-L543 HydrophobicContact CE3-CD2 4.36Å; W539-L543 HydrophobicContact CE3-CG 4.18Å; W539-L543 HydrophobicContact CZ3-CD2 4.35Å; W539-L543 WeakPolarHBondContact O-CG 3.34Å; W539-L543 PolarHBondContact O-N 3.19Å; L543-K546 WeakPolarHBondContact CA-O 3.27Å; L543-K547 WeakPolarHBondContact O-CD 3.45Å; L543-K547 WeakPolarHBondContact O-CE 3.36Å; L543-K547 PolarHBondContact O-NZ 3.36Å; L543-T556 VanDerWaalsContact CD2-O 3.25Å; L543-T556 WeakPolarHBondContact CD2-O 3.37Å; L543-P558 HydrophobicContact CD1-CB 4.43Å; L543-P558 HydrophobicContact CD1-CG 4.14Å; L543-L561 HydrophobicContact CD1-CD1 3.8Å; L543-L561 HydrophobicContact CD1-CG 4.38Å
544G93.3Very high95.4Very high30 Ų3049 Ų4931%0.30926%0.261SS..Hα-helixtrans-75.5-31.8168.900000113.7V414 L540 R541 T542V414-G544 VanDerWaalsContact CG1-N 3.28Å; L540-G544 PolarHBondContact O-N 2.9Å; R541-G544 PolarHBondContact O-N 3.22Å; T542-G544 PolarHBondContact O-N 2.71Å
545A91.8Very high95.3Very high64 Ų6455.2 Ų55.253%0.52929%0.293SS..Hα-helixtrans-86.4-42.9174.100000112.9R541 T542R541-A545 PolarHBondContact O-N 2.71Å; T542-A545 PolarHBondContact O-N 3.18Å
546K90.2Very high95.3Very high135 Ų13554.9 Ų54.959%0.58729%0.291SS*.  trans-151.4125.1-168.4-60.5175.9-173.4170.80109.4T542 L543 L548T542-K546 PolarHBondContact O-N 2.79Å; L543-K546 WeakPolarHBondContact CA-O 3.27Å; K546-L548 HydrophobicContact CB-CG 4.47Å; K546-L548 PolarHBondContact O-N 2.86Å
547K94.6Very high95.2Very high85 Ų8555.5 Ų55.537%0.3730%0.3SS..SBendtrans-74.446.9176.7-56.4-64.3176.1-171.50113E411 L543 T556E411-K547 IonicContact OE1-NZ 2.71Å; E411-K547 WeakPolarHBondContact OE2-CE 3.41Å; E411-K547 IonicContact OE2-NZ 2.95Å; E411-K547 PolarHBondContact OE2-NZ 3.06Å; L543-K547 WeakPolarHBondContact O-CD 3.45Å; L543-K547 WeakPolarHBondContact O-CE 3.36Å; L543-K547 PolarHBondContact O-NZ 3.36Å; K547-T556 CarbonylContact C-O 3.6Å; K547-T556 VanDerWaalsContact C-O 3.29Å; K547-T556 PolarHBondContact O-N 2.88Å
548L95.9Very high95.1Very high56 Ų5650.6 Ų50.629%0.29328%0.278SS..BIsolated β-bridgetrans-136.3147.3-172-55.3177.7000109.9K546 N553 T554 I555K546-L548 HydrophobicContact CB-CG 4.47Å; K546-L548 PolarHBondContact O-N 2.86Å; L548-N553 HydrophobicContact CD1-CB 4.48Å; L548-T554 CarbonylContact C-O 3.54Å; L548-T554 WeakPolarHBondContact CA-O 3.38Å; L548-I555 HydrophobicContact CD2-CB 4.47Å; L548-I555 HydrophobicContact CD2-CG1 3.88Å
549C96.5Very high95Very high0 Ų051 Ų510%028%0.284CS..  trans-60.3131.6171.8174.90000111.8C530 W539 Q551 N553 T554C530-C549 PolarHBondContact SG-SG 2.92Å; W539-C549 HydrophobicContact CH2-CB 3.97Å; W539-C549 HydrophobicContact CZ3-CB 4.37Å; C549-Q551 PolarHBondContact O-N 3.36Å; C549-Q551 PolarHBondContact SG-N 2.91Å; C549-N553 WeakPolarHBondContact O-CA 3.44Å; C549-N553 PolarHBondContact O-N 3.16Å; C549-T554 PolarHBondContact N-O 3.38Å
550P94.4Very high94.9Very high42 Ų4252.2 Ų52.227%0.27329%0.29SS..THydrogen-bonded Turntrans-61.5-23.1-179.7-14.520.4000115.5I516 W539 T542I516-P550 HydrophobicContact CD1-CB 3.71Å; I516-P550 HydrophobicContact CD1-CG 3.71Å; I516-P550 HydrophobicContact CG1-CB 4.46Å; W539-P550 HydrophobicContact CE3-CG 4.31Å; W539-P550 HydrophobicContact CZ3-CG 4.35Å; T542-P550 HydrophobicContact CG2-CB 4.2Å; T542-P550 HydrophobicContact CG2-CG 3.83Å
551Q95.1Very high94.9Very high76 Ų7651.7 Ų51.736%0.35529%0.288SS..THydrogen-bonded Turntrans-96.4-48.3-176.8-69.4179.645.700113L515 H532 V533 H534 C549L515-Q551 HydrophobicContact CD1-CG 4.28Å; H532-Q551 HydrophobicContact CB-CB 4.4Å; H532-Q551 PolarHBondContact CD2-OE1 3Å; V533-Q551 PolarHBondContact O-NE2 3.31Å; H534-Q551 PolarHBondContact CE1-NE2 3.31Å; H534-Q551 WeakPolarHBondContact NE2-CG 3.42Å; H534-Q551 PolarHBondContact NE2-NE2 3.42Å; C549-Q551 PolarHBondContact O-N 3.36Å; C549-Q551 PolarHBondContact SG-N 2.91Å
552C96.6Very high94.9Very high49 Ų4946.6 Ų46.633%0.33127%0.269SS..THydrogen-bonded Turntrans-112.1-4.3-171.566.60000115H532 T554H532-C552 PolarHBondContact CE1-SG 3.39Å; H532-C552 PolarHBondContact ND1-SG 3.07Å; H532-C552 VanDerWaalsContact ND1-SG 3.41Å; C552-T554 PolarHBondContact O-N 3.34Å; C552-T554 VanDerWaalsContact O-N 3.12Å; C552-T554 PolarHBondContact SG-OG1 2.91Å
553N95.3Very high94.9Very high107 Ų10749.6 Ų49.657%0.57228%0.276SS*.  trans56.915.6-174-57.3-60.6000115.7L548 C549L548-N553 HydrophobicContact CD1-CB 4.48Å; C549-N553 WeakPolarHBondContact O-CA 3.44Å; C549-N553 PolarHBondContact O-N 3.16Å
554T96.9Very high94.9Very high61 Ų6151.8 Ų51.837%0.37429%0.287SS..  trans-58141165.2-57.70000108.9Q529 C530 L548 C549 C552 T556Q529-T554 HydrophobicContact CB-CG2 4.36Å; C530-T554 HydrophobicContact CB-CG2 4.46Å; L548-T554 CarbonylContact C-O 3.54Å; L548-T554 WeakPolarHBondContact CA-O 3.38Å; C549-T554 PolarHBondContact N-O 3.38Å; C552-T554 PolarHBondContact O-N 3.34Å; C552-T554 VanDerWaalsContact O-N 3.12Å; C552-T554 PolarHBondContact SG-OG1 2.91Å; T554-T556 PolarHBondContact O-N 3.21Å; T554-T556 PolarHBondContact O-OG1 3Å
555I95.4Very high94.7Very high132 Ų13260.8 Ų60.868%0.67731%0.314SS*.BIsolated β-bridgetrans-59.2134.4175.1-60.3173.1000108.4L548L548-I555 HydrophobicContact CD2-CB 4.47Å; L548-I555 HydrophobicContact CD2-CG1 3.88Å
556T95.9Very high94.3Very high0 Ų064 Ų640%032%0.321CS..  trans-149.2123.3-178.2-61.10000108.4S527 W539 L543 K547 T554 D560 L561S527-T556 WeakPolarHBondContact OG-CG2 3.44Å; W539-T556 HydrophobicContact CH2-CG2 4.06Å; W539-T556 HydrophobicContact CZ3-CG2 3.76Å; L543-T556 VanDerWaalsContact CD2-O 3.25Å; L543-T556 WeakPolarHBondContact CD2-O 3.37Å; K547-T556 CarbonylContact C-O 3.6Å; K547-T556 VanDerWaalsContact C-O 3.29Å; K547-T556 PolarHBondContact O-N 2.88Å; T554-T556 PolarHBondContact O-N 3.21Å; T554-T556 PolarHBondContact O-OG1 3Å; T556-D560 WeakPolarHBondContact CA-OD2 3.13Å; T556-D560 HydrophobicContact CG2-CB 4Å; T556-L561 HydrophobicContact CG2-CD2 4.22Å
557A94.5Very high94.5Very high36 Ų3660.5 Ų60.530%0.29831%0.308SS..  trans-92162.7170.800000110.1G559 D560A557-G559 PolarHBondContact O-N 3.27Å; A557-D560 PolarHBondContact N-OD2 3.29Å; A557-D560 WeakPolarHBondContact O-CB 3.43Å; A557-D560 PolarHBondContact O-N 3Å; A557-D560 VanDerWaalsContact O-N 3.12Å
558P94.7Very high94.5Very high1 Ų159.2 Ų59.21%0.00630%0.304CS..G310 helixtrans-58.6-36.3172.6-22.234.8000111.4Y409 T410 E411 V414 L543 D560 L561Y409-P558 WeakPolarHBondContact CB-O 3.31Å; T410-P558 VanDerWaalsContact O-CB 3.31Å; T410-P558 WeakPolarHBondContact O-CB 3.3Å; E411-P558 WeakPolarHBondContact OE1-CD 3.45Å; V414-P558 HydrophobicContact CG2-CB 4.14Å; V414-P558 HydrophobicContact CG2-CG 3.21Å; L543-P558 HydrophobicContact CD1-CB 4.43Å; L543-P558 HydrophobicContact CD1-CG 4.14Å; P558-D560 PolarHBondContact O-N 3.07Å; P558-D560 VanDerWaalsContact O-N 3.1Å; P558-L561 WeakPolarHBondContact O-CB 3.14Å; P558-L561 WeakPolarHBondContact O-CG 3.45Å; P558-L561 PolarHBondContact O-N 2.85Å
559G94.8Very high94.4Very high23 Ų2359.3 Ų59.324%0.23731%0.305CS..G310 helixtrans-60.9-18.1177.400000115.1Y409 A557 L561 R562Y409-G559 WeakPolarHBondContact O-CA 3.14Å; Y409-G559 PolarHBondContact O-N 2.78Å; A557-G559 PolarHBondContact O-N 3.27Å; G559-L561 VanDerWaalsContact C-N 3.32Å; G559-R562 PolarHBondContact O-NH1 3.31Å
560D94.8Very high94.3Very high25 Ų2562.8 Ų62.813%0.13432%0.323CS..G310 helixtrans-80.3-11.2174.2-63-47.2000113.1I528 Q529 T556 A557 P558I528-D560 HydrophobicContact CG1-CB 3.99Å; I528-D560 PolarHBondContact N-O 2.96Å; Q529-D560 HydrophobicContact CG-CB 4.02Å; Q529-D560 VanDerWaalsContact CG-CG 3.46Å; Q529-D560 PolarHBondContact NE2-OD1 2.82Å; T556-D560 WeakPolarHBondContact CA-OD2 3.13Å; T556-D560 HydrophobicContact CG2-CB 4Å; A557-D560 PolarHBondContact N-OD2 3.29Å; A557-D560 WeakPolarHBondContact O-CB 3.43Å; A557-D560 PolarHBondContact O-N 3Å; A557-D560 VanDerWaalsContact O-N 3.12Å; P558-D560 PolarHBondContact O-N 3.07Å; P558-D560 VanDerWaalsContact O-N 3.1Å
561L96.3Very high94.3Very high0 Ų064.1 Ų64.10%033%0.326CS..EExtended strand (participates in β ladder)trans-83.6137.2-173.8-59.4-179.9000111.7Y409 L525 T526 W539 L540 L543 T556 P558 G559Y409-L561 HydrophobicContact CD2-CB 3.81Å; Y409-L561 HydrophobicContact CE2-CB 4.39Å; L525-L561 HydrophobicContact CD1-CB 4.21Å; L525-L561 HydrophobicContact CD1-CD1 3.95Å; T526-L561 CarbonylContact O-C 3.6Å; T526-L561 WeakPolarHBondContact O-CA 3.19Å; W539-L561 HydrophobicContact CB-CD1 3.86Å; W539-L561 HydrophobicContact CD2-CD1 4.32Å; W539-L561 HydrophobicContact CD2-CD2 3.59Å; W539-L561 HydrophobicContact CE3-CD1 4.48Å; W539-L561 HydrophobicContact CE3-CD2 3.79Å; W539-L561 HydrophobicContact CG-CD1 4.09Å; W539-L561 HydrophobicContact CG-CD2 4.01Å; W539-L561 HydrophobicContact CH2-CD2 4.22Å; W539-L561 HydrophobicContact CZ2-CD2 4.07Å; W539-L561 HydrophobicContact CZ3-CD2 4.08Å; L540-L561 HydrophobicContact CD2-CD1 4.48Å; L543-L561 HydrophobicContact CD1-CD1 3.8Å; L543-L561 HydrophobicContact CD1-CG 4.38Å; T556-L561 HydrophobicContact CG2-CD2 4.22Å; P558-L561 WeakPolarHBondContact O-CB 3.14Å; P558-L561 WeakPolarHBondContact O-CG 3.45Å; P558-L561 PolarHBondContact O-N 2.85Å; G559-L561 VanDerWaalsContact C-N 3.32Å
562R95.6Very high94.2Very high23 Ų2363.3 Ų63.39%0.08732%0.324CS..EExtended strand (participates in β ladder)trans-131.9132.4173.9-63.7-63.9179.5-76-3.3110.4Y404 G405 L525 T526 I528 G559Y404-R562 PolarHBondContact O-NE 3.21Å; G405-R562 PolarHBondContact O-NH2 2.72Å; L525-R562 CarbonylContact C-O 3.56Å; L525-R562 VanDerWaalsContact CA-O 3.3Å; L525-R562 WeakPolarHBondContact CA-O 3.19Å; T526-R562 PolarHBondContact N-O 3.49Å; T526-R562 PolarHBondContact O-N 3.36Å; I528-R562 HydrophobicContact CG2-CG 3.85Å; G559-R562 PolarHBondContact O-NH1 3.31Å
563R95.6Very high94.1Very high96 Ų9664.4 Ų64.436%0.36232%0.324SS..EExtended strand (participates in β ladder)trans-61.5135.5169.1-70.1-179.4-176.9-77.61.3109.8Y409 M523 L525 E536Y409-R563 HydrophobicContact CE2-CG 4.42Å; Y409-R563 PolarHBondContact OH-NE 3.26Å; Y409-R563 PolarHBondContact OH-NH1 3.4Å; Y409-R563 PolarHBondContact OH-NH2 3.27Å; M523-R563 PolarHBondContact SD-NH1 2.98Å; L525-R563 HydrophobicContact CD2-CB 4.11Å; L525-R563 HydrophobicContact CD2-CG 3.42Å; L525-R563 VanDerWaalsContact CD2-CG 3.42Å; E536-R563 IonicContact OE1-CZ 2.65Å; E536-R563 IonicContact OE1-NH1 3.56Å; E536-R563 IonicContact OE1-NH2 3.96Å; E536-R563 PolarHBondContact OE1-NH2 3.45Å; E536-R563 IonicContact OE2-CZ 3.99Å; E536-R563 VanDerWaalsContact OE2-CZ 3.23Å; E536-R563 IonicContact OE2-NH1 3.23Å; E536-R563 PolarHBondContact OE2-NH1 2.88Å; E536-R563 IonicContact OE2-NH2 3.72Å; E536-R563 PolarHBondContact OE2-NH2 3.38Å
564I94.1Very high94Very high47 Ų4761.1 Ų61.124%0.24131%0.305CS..  trans-124.5170.217363.9169.8000110.4P524 T526 V533 L566P524-I564 HydrophobicContact CB-CD1 4.42Å; P524-I564 HydrophobicContact CB-CG1 3.91Å; P524-I564 HydrophobicContact CG-CG1 4.15Å; P524-I564 WeakPolarHBondContact O-CG1 3.27Å; P524-I564 PolarHBondContact O-N 3.37Å; T526-I564 HydrophobicContact CG2-CG2 3.67Å; V533-I564 HydrophobicContact CB-CD1 4.45Å; V533-I564 HydrophobicContact CG1-CD1 3.82Å; V533-I564 HydrophobicContact CG2-CD1 3.69Å; I564-L566 HydrophobicContact CD1-CD2 3.79Å; I564-L566 HydrophobicContact CD1-CG 4.13Å; I564-L566 HydrophobicContact CG1-CG 4.45Å
565Y90.8Very high93.7Very high219 Ų21961.1 Ų61.186%0.85930%0.299SS*.  trans-122.3134.3174-57.3-85000107.9
566L82.3Confident93.6Very high131 Ų13154.6 Ų54.669%0.68627%0.265SS*.  trans-121.40-172.3-67.7178.9000111.5Y521 P524 V533 I564Y521-L566 HydrophobicContact CD2-CD1 3.48Å; Y521-L566 VanDerWaalsContact CD2-CD1 3.48Å; Y521-L566 HydrophobicContact CE2-CD1 3.91Å; Y521-L566 HydrophobicContact CG-CD1 3.93Å; P524-L566 HydrophobicContact CB-CD1 3.82Å; P524-L566 HydrophobicContact CB-CG 4.33Å; P524-L566 HydrophobicContact CG-CD1 3.92Å; P524-L566 HydrophobicContact CG-CG 4.06Å; V533-L566 HydrophobicContact CG1-CD1 4.29Å; I564-L566 HydrophobicContact CD1-CD2 3.79Å; I564-L566 HydrophobicContact CD1-CG 4.13Å; I564-L566 HydrophobicContact CG1-CG 4.45Å

Retrieved 566 of 566 residues in 243.1 ms (Link to these results)