A0A096MYQ2_PAPAN Loading...

Heterochromatin protein 1-binding protein 3

AlphaFold DB (A0A2K6RRC7), UniProt , Accession A0A096MYQ2, Species PAPAN (Papio anubis, Olive baboon), Gene HP1BP3, Length 553 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.4Very low37.8Very low237 Ų237137.1 Ų137.1100%1.16780%0.795SS**  01100-80.1-70-166.900106.5
2A36.4Very low37.9Very low96 Ų96137.2 Ų137.279%0.79378%0.782SS**  trans61.5142.7175.800000116.3
3T44.7Very low38.6Very low120 Ų120135.8 Ų135.874%0.73678%0.781SS**  cis-136.6150.7-18.953.20000106.5
4D38Very low38.3Very low141 Ų141137.8 Ų137.875%0.75478%0.776SS**  cis66.4127.948.7-54.6111.7000112.1
5T43.9Very low38Very low126 Ų126134.6 Ų134.677%0.77377%0.774SS**  cis-140.6176.611.750.60000110
6S39.9Very low38Very low110 Ų110136.4 Ų136.477%0.76978%0.779SS**  cis76139.223.5-69.90000117.1
7Q40Very low38.5Very low187 Ų187135.5 Ų135.587%0.87478%0.78SS**  cis-174167.8-20.2-120.9-80.24.200107.8
8G32.3Very low38.3Very low58 Ų58136.6 Ų136.660%0.59878%0.781SS**  trans97.4160.8165.700000118.8
9E36.5Very low38.1Very low168 Ų168138.2 Ų138.279%0.78579%0.785SS**  cis-167.1155.4-17.7-134.5-161.513900113.9
10L35.8Very low37.9Very low136 Ų136138.2 Ų138.271%0.71279%0.788SS**  trans55.8168.4157-69.4169.3000120.5
11V33.3Very low37.6Very low129 Ų129135.2 Ų135.278%0.78279%0.787SS**  cis-136.2159.51.7-153.90000111
12H39Very low37.6Very low138 Ų138128.4 Ų128.464%0.63977%0.769SS**  trans-91.7158.2164.9-95.1-72.4000113.9K14H12-K14 HydrophobicContact CB-CD 4.23Å; H12-K14 PolarHBondContact CD2-NZ 3.34Å; H12-K14 PolarHBondContact NE2-NZ 2.82Å
13P48.1Very low37.6Very low119 Ų119132.5 Ų132.577%0.77377%0.772SS**  trans-102.7161.513935.7-30.1000111.7
14K34.1Very low37.1Very low164 Ų164133.4 Ų133.471%0.71377%0.771SS**  trans-160.2112.5-171.2-126.5142.2178.1165.30117.8H12H12-K14 HydrophobicContact CB-CD 4.23Å; H12-K14 PolarHBondContact CD2-NZ 3.34Å; H12-K14 PolarHBondContact NE2-NZ 2.82Å
15A34.1Very low36.9Very low90 Ų90132.9 Ų132.974%0.74477%0.767SS**  trans63.1145.1154.800000122.9
16L37.2Very low36.6Very low163 Ų163136.1 Ų136.185%0.85377%0.773SS**  trans35.1147138.3-64.5178.1000121.4
17P46.8Very low36.5Very low121 Ų121134.5 Ų134.579%0.78677%0.767SS**  -155.3-159.255.544.5-21.8000117.7
18L34.7Very low36.1Very low155 Ų155131.8 Ų131.881%0.81276%0.758SS**  trans-77.4164.7174.2-54.7110.1000113.4
19I34.7Very low36.4Very low167 Ų167136.6 Ų136.686%0.85676%0.762SS**  179.6159.1116.5-93.3161.3000114.2
20V35Very low36.4Very low139 Ų139136.4 Ų136.484%0.84277%0.766SS**  trans-50146.5178.3-179.30000116.3
21G30Very low36.2Very low75 Ų75133.4 Ų133.477%0.77377%0.768SS**  trans-160.2154.5162.100000111.9
22A35.3Very low36.3Very low95 Ų95135.6 Ų135.679%0.78577%0.769SS**  trans-145179.4-17800000111.4
23Q35.2Very low36.1Very low182 Ų182137.2 Ų137.285%0.8578%0.775SS**  trans88.4151.8-178.9-63.2-17368.900115.9
24L35.1Very low35.7Very low138 Ų138137.8 Ų137.872%0.72378%0.776SS**  cis-168164-29.1-159.973.4000108.3
25I34.9Very low35.8Very low131 Ų131138.5 Ų138.567%0.67278%0.782SS**  trans46.5121.9167.3-2171.2000119.3
26H36.8Very low35.9Very low193 Ų193141.4 Ų141.489%0.89479%0.785SS**  -153.1157.7102.2-105.4-79.5000108.8
27A37.8Very low35.7Very low77 Ų77139.2 Ų139.264%0.63678%0.783SS**  trans-138-179.4-168.500000111.7
28D31Very low35.2Very low130 Ų130139.7 Ų139.770%0.69578%0.784SS**  trans72.9143.8172.5-75.8-5.9000117.3
29K39.4Very low35.3Very low158 Ų158140.2 Ų140.269%0.68778%0.784SS**  cis-165-175.1-21.2-131.9-174.1-153.782.70110
30L35.9Very low36Very low165 Ų165138.5 Ų138.586%0.86478%0.784SS**  trans74.9135.8173.9-45178.4000114.2
31G32.5Very low36.3Very low72 Ų72138.3 Ų138.374%0.74278%0.776SS**  cis99.3134.14.300000112.2
32E34.7Very low36.6Very low175 Ų175146.3 Ų146.382%0.81878%0.783SS**  cis-162.1-177.36-156.6-172.190.300110.5
33K35Very low36.5Very low172 Ų172151.8 Ų151.875%0.74878%0.784SS**  trans77.3124.8174.3-52.1-164.3176-160.90116.4
34V38.8Very low36.3Very low131 Ų131149.2 Ų149.279%0.79478%0.781SS**  cis78108.17.6-163.60000117.4
35E36Very low36.1Very low180 Ų180149 Ų14984%0.84179%0.785SS**  trans165.5105.2137.4-92.4170-151.400106.4
36D38Very low35.8Very low151 Ų151150.2 Ų150.281%0.80779%0.793SS**  77.1117.372.6-163.918.9000114.9
37S32.9Very low35.6Very low117 Ų117146.1 Ų146.182%0.81879%0.786SS**  trans-168.6128.9165.6-89.80000114.6
38T36.1Very low35.2Very low131 Ų131148.2 Ų148.280%0.80479%0.791SS**  trans-38.1158.6174.3-176.70000120.4
39M35.2Very low35.3Very low166 Ų166152.6 Ų152.682%0.81880%0.798SS**  trans-68.7165.4161.6-63.1-178.817200113
40P50.6Low34.8Very low130 Ų130153.2 Ų153.284%0.84480%0.803SS**  -142.8-172.3115.539-25.3000116.1
41I40.9Very low34.7Very low135 Ų135150.4 Ų150.469%0.69279%0.793SS**  trans-111140.8-163.7-61.6156.2000113.5
42R36.3Very low35.6Very low243 Ų243152.4 Ų152.492%0.91779%0.793SS**  trans-166.7143.1144.1-89.1132.8-165.4-132.66.4107.9
43R33.7Very low36Very low210 Ų210150.3 Ų150.379%0.79280%0.795SS**  cis87.4108.730-88.9-166.3165.2104.3-4116.7
44T30.3Very low35.8Very low129 Ų129151.8 Ų151.879%0.79180%0.801SS**  trans65.2157.815258.50000117.2
45V31.6Very low35.6Very low133 Ų133151.3 Ų151.381%0.80680%0.803SS**  cis-139.5-179.312.3-75.70000112.1
46N29.4Very low35.6Very low156 Ų156151.5 Ų151.583%0.83480%0.801SS**  trans-78.3161.2163.6-72.5-0.7000112.4
47S31.5Very low35.4Very low108 Ų108151.2 Ų151.276%0.75580%0.799SS**  150.5159.7110.4-160.90000116.1
48T29.7Very low35.3Very low121 Ų121149.4 Ų149.474%0.74279%0.791SS**  trans79.793.9149.8-47.70000121.2
49R33.7Very low35Very low222 Ų222152.2 Ų152.284%0.83880%0.795SS**  3136.9128.6176.3-172.4-175.3176.12119.2
50E28.2Very low34.7Very low170 Ų170147.7 Ų147.779%0.79479%0.791SS**  trans-159.3145.4151.6-115.3-70.971.600112.3
51T33.6Very low33.8Very low106 Ų106150.9 Ų150.965%0.6580%0.795SS**  trans-174.3157.1179.852.70000111.3
52P50.5Low33.3Very low114 Ų114153.2 Ų153.274%0.7480%0.803SS**  cis-126.2-167.1-4741.9-27.1000110.1
53P42.9Very low33Very low132 Ų132150.5 Ų150.586%0.85780%0.8SS**  trans-111.3172.615836.1-27.9000113.8
54K31.2Very low33.1Very low203 Ų203147.6 Ų147.688%0.88379%0.793SS**  trans-152.2138.1-161.7174.5-177.2-178.6177.80111.5
55S34.7Very low33.7Very low120 Ų120146.7 Ų146.784%0.83979%0.79SS**  trans-144.4163.2170.451.30000112.7
56K36.7Very low33.8Very low184 Ų184147.2 Ų147.280%0.878%0.784SS**  trans-113.2-178.3-175.9-82.3-178.2164.6-170.30109.3
57L33Very low34.8Very low145 Ų145145.5 Ų145.576%0.75978%0.781SS**  cis-164.7167.214.2-136.3157.6000109.9
58A32.2Very low34.9Very low79 Ų79147.6 Ų147.665%0.65378%0.784SS**  trans70156.7155.300000118.1
59E29.2Very low34.9Very low191 Ų191150 Ų15089%0.89379%0.79SS**  cis-159.4159.1-3.2-144.1158.7-154.500111.8
60G29.8Very low34.5Very low71 Ų71143.6 Ų143.673%0.73278%0.779SS**  trans71.4153.3164.400000118.7
61E30.1Very low34.8Very low197 Ų197140.3 Ų140.392%0.92178%0.775SS**  cis-155.9-175-17.4-144.9169.1-173.800109.9
62E30.1Very low34.8Very low183 Ų183143.6 Ų143.686%0.85578%0.783SS**  trans-85.4160.4-165.3-52.5-174.7117.800116
63E31.3Very low33.9Very low187 Ų187145.8 Ų145.887%0.87478%0.784SS**  -160.7142.4114-148.8177.5176.500112.1
64K34.9Very low34.1Very low148 Ų148143.9 Ų143.964%0.64377%0.774SS**  trans-148.2141.7166.3-160.9-162.4-172.2-162.90108.5E66K64-E66 WeakPolarHBondContact CE-OE1 3.48Å; K64-E66 WeakPolarHBondContact CE-OE2 3.29Å; K64-E66 IonicContact NZ-OE1 2.93Å; K64-E66 PolarHBondContact NZ-OE1 2.98Å; K64-E66 IonicContact NZ-OE2 2.59Å; K64-E66 PolarHBondContact NZ-OE2 3.27Å
65P43.5Very low33.9Very low111 Ų111140.2 Ų140.272%0.72177%0.768SS**  trans-142.715113233.8-19.2000115.6
66E33.3Very low33.7Very low144 Ų144139.1 Ų139.167%0.67376%0.76SS**  trans-109.4169.8151-66.4145.9167.100106.8K64K64-E66 WeakPolarHBondContact CE-OE1 3.48Å; K64-E66 WeakPolarHBondContact CE-OE2 3.29Å; K64-E66 IonicContact NZ-OE1 2.93Å; K64-E66 PolarHBondContact NZ-OE1 2.98Å; K64-E66 IonicContact NZ-OE2 2.59Å; K64-E66 PolarHBondContact NZ-OE2 3.27Å
67P51.7Low33.3Very low120 Ų120135.7 Ų135.778%0.77976%0.755SS**  -152.5177.595.739.2-20.1000117.2
68D32.4Very low33.2Very low152 Ų152134.1 Ų134.181%0.81375%0.751SS**  trans-55165.2-171.8-48.3-83.8000120.8
69I29.7Very low33.5Very low170 Ų170138 Ų13887%0.87276%0.756SS**  trans-145.3148.9136.852.3169000113.4
70S26.2Very low33.8Very low88 Ų88137 Ų13762%0.61575%0.751SS**  trans2.6137.3156.1-163.70000120.2
71S33.7Very low34Very low102 Ų102140.4 Ų140.471%0.71375%0.748SS**  cis90.6157.530.993.10000116.4
72E33Very low34.1Very low174 Ų174138.2 Ų138.281%0.81374%0.738SS**  trans79.4144.1-175.2-55.6-178.5140.200117
73E31.9Very low34Very low160 Ų160135.3 Ų135.375%0.74873%0.728SS**  cis-161150.5-20.1-129.9-149.893.600112.4
74S48.5Very low33.9Very low93 Ų93134.9 Ų134.965%0.6573%0.726SS**  trans44.5168.6143.3-57.30000123.4
75V26.3Very low33.6Very low126 Ų126133.5 Ų133.576%0.76473%0.73SS**  cis-156.4152.310.181.30000113.8
76S30.7Very low34.3Very low96 Ų96133.7 Ų133.767%0.67173%0.731SS**  trans62.5158.3144-127.20000122.7
77T28.6Very low34.9Very low112 Ų112132.1 Ų132.169%0.68773%0.734SS**  cis-158.7150.64.4-21.80000111.6
78V30.4Very low33.9Very low113 Ų113130.4 Ų130.469%0.68573%0.73SS**  trans53126.2141.4162.90000119.6
79E38Very low33.6Very low161 Ų161129.1 Ų129.175%0.75273%0.727SS**  cis-152.4-135.4-13-14874.6-73.500107.7
80E35.6Very low33.6Very low170 Ų170125.8 Ų125.879%0.79472%0.719SS**  cis-165.6164-2.2-133.3-164.3135.200105.6
81Q33.9Very low33.7Very low141 Ų141126.2 Ų126.266%0.65972%0.722SS**  cis-143.1-103.9-9.5-165.8-143-21.700110.5
82E31.8Very low33.5Very low152 Ų152130.5 Ų130.571%0.7173%0.731SS**  trans-156.7174.8-159.1-81.4-178.2122.800111.2
83N27.8Very low33.2Very low121 Ų121126.2 Ų126.265%0.64773%0.725SS**  cis-173.7143.9-25.6171.429.5000107.6
84E30.2Very low33Very low179 Ų179126.3 Ų126.384%0.83673%0.726SS**  178.8149.9129.5-99.6-159146.800113.1
85T28.8Very low32.1Very low119 Ų119129.4 Ų129.473%0.7373%0.73SS**  trans-163.4178.1-173.338.60000109.5
86P58.4Low32.6Very low115 Ų115128 Ų12875%0.74772%0.724SS**  cis-119.7-103.7-30.324.7-0.6000109.6
87P46.3Very low32.2Very low111 Ų111133.4 Ų133.472%0.72174%0.735SS**  cis-120.5165.41.442.7-28.7000116.6
88A29.4Very low32Very low84 Ų84132 Ų13269%0.69474%0.742SS**  trans69.5138.5146.700000119.6
89T26.1Very low31.8Very low125 Ų125135.8 Ų135.877%0.76775%0.753SS**  cis-158.6153-0.52.20000112.4
90S29.3Very low31.8Very low99 Ų99132.4 Ų132.469%0.69275%0.745SS**  trans8.8149.2142.858.50000120.6
91S30.1Very low31.3Very low98 Ų98132.9 Ų132.969%0.68575%0.747SS**  cis-178.5134.7342.90000108.1
92E27.5Very low30.8Very low191 Ų191132 Ų13289%0.89375%0.747SS**  88.6163.6101.1-163.6166.7108.300115.1
93A28.1Very low30.5Very low84 Ų84132.2 Ų132.269%0.69475%0.748SS**  trans69.497.717000000120.1
94E27.4Very low30.4Very low163 Ų163133.1 Ų133.176%0.76275%0.748SS**  46.3123125.6-64.6-148.684.700124.1
95Q28.5Very low30.2Very low157 Ų157131.8 Ų131.873%0.73474%0.74SS**  40.3156114.3-66.8-162.682.600122.5
96P38.2Very low30.1Very low98 Ų98135 Ų13564%0.63675%0.746SS**  cis-144.4179.6-3340.7-23.2000114.8
97K22.5Very low28.5Very low208 Ų208137.3 Ų137.390%0.90475%0.747SS**  trans59.8107139.6-172.2-175.2-173.6-177.10119.5
98G24.1Very low27.6Very low82 Ų82138.7 Ų138.785%0.84575%0.748SS**  trans-173.790.4168.100000115.8
99E24.9Very low27.6Very low193 Ų193143.5 Ų143.590%0.90275%0.754SS**  trans-89.4171.2160.4-113.5178.416200109.3
100P39.5Very low27.8Very low91 Ų91143.3 Ų143.359%0.59176%0.758SS**  cis-140.3-159.3-6.940.2-19.1000114
101E25.3Very low27.8Very low179 Ų179143.2 Ų143.284%0.83676%0.757SS**  trans67.3160.6153-73168.2-154.400119.3
102N23.4Very low27.7Very low122 Ų122146.8 Ų146.865%0.65276%0.763SS**  cis-165.9169.8-35.4-17126.9000108.6
103E25.6Very low27.8Very low158 Ų158144.5 Ų144.574%0.73875%0.752SS**  trans63.9163.6166.2-69.5157-147.900116.8
104E25.1Very low27.7Very low139 Ų139146 Ų14665%0.6575%0.752SS**  cis-139.3134.5-32.1-109-158.1149.800106.1
105K24.7Very low28Very low152 Ų152146.1 Ų146.166%0.66175%0.751SS**  59110.995.5156.4-129.1-179.8-176.10116.8
106E26.5Very low28Very low185 Ų185146.8 Ų146.886%0.86475%0.751SS**  trans-169.2130.2137.7-101176.9173.300105.8
107E26.2Very low27.6Very low165 Ų165148.2 Ų148.277%0.77175%0.754SS**  6783.853.1-69.1-135.9147.800115.4
108N26.2Very low28Very low139 Ų139147.9 Ų147.974%0.74376%0.755SS**  173.1164.9116.7-92.3-72.4000109.8
109K30.2Very low28.3Very low185 Ų185151.4 Ų151.480%0.80475%0.747SS**  cis165118-33.9169.5-176.5178-178.30107.6
110S29.2Very low28.6Very low122 Ų122148.6 Ų148.685%0.85374%0.738SS**  trans-154142.8161.247.60000111.7
111S30.7Very low28.1Very low97 Ų97152.8 Ų152.868%0.67875%0.75SS**  trans-91.1-178.9167.956.80000109.1
112E27Very low28.3Very low172 Ų172149.5 Ų149.580%0.80475%0.747SS**  cis-153.7-172.418.8-152.6141.9115.400113
113E29.5Very low28.8Very low144 Ų144153.2 Ų153.267%0.67376%0.757SS**  trans-62.5155.9-174.5-62.4-169.271.200113.9K115E113-K115 IonicContact OE1-NZ 3.9Å
114T27.8Very low29.2Very low114 Ų114154.1 Ų154.170%0.69976%0.762SS**  -169.7127.976.7-63.90000113.9
115K33.3Very low29.6Very low166 Ų166156.5 Ų156.572%0.72277%0.769SS**  trans26.3135.8148-56.8163.8-176.3107.80117.8E113E113-K115 IonicContact OE1-NZ 3.9Å
116K28.8Very low30.5Very low172 Ų172157.3 Ų157.375%0.74878%0.776SS**  -174.1152.759.5-171170.6179.2-75.40112.9
117D28.9Very low31Very low128 Ų128157.9 Ų157.968%0.68478%0.775SS**  trans38.3106.4163-57.9-17.9000121.1
118E31.6Very low32Very low200 Ų200159.2 Ų159.294%0.93578%0.779SS**  -151.9176104.2-135.2-170113.500111.5
119K29.3Very low32.9Very low156 Ų156157.3 Ų157.368%0.67877%0.772SS**  trans-144121.5-163.2131.1-95.5154.5-950113.8
120D30.8Very low34.2Very low134 Ų134156.2 Ų156.272%0.71777%0.767SS**  trans-160.9-176.8142.3-130.3-65.5000114.7
121Q30.3Very low36.2Very low180 Ų180155.9 Ų155.984%0.84175%0.75SS**  trans71.849.4177.6-56.3-160.139.600117.7K123Q121-K123 PolarHBondContact O-N 2.89Å; Q121-K123 VanDerWaalsContact O-N 3.17Å
122S29.7Very low38.7Very low110 Ų110155.1 Ų155.177%0.76974%0.741SS**  trans-63112.6150.458.70000109.9E124S122-E124 PolarHBondContact O-N 3.16Å
123K33.2Very low41.5Very low200 Ų200148.8 Ų148.887%0.8771%0.713SS**  trans-55.299.2172.6-92.6176.2174.6165.20110.8Q121 K125Q121-K123 PolarHBondContact O-N 2.89Å; Q121-K123 VanDerWaalsContact O-N 3.17Å; K123-K125 PolarHBondContact O-N 3.34Å
124E34Very low44.3Very low177 Ų177142.1 Ų142.183%0.82768%0.682SS**  trans-69.294.9172.4-174166-161.100109.1S122 E126S122-E124 PolarHBondContact O-N 3.16Å; E124-E126 PolarHBondContact O-N 3.32Å
125K34.6Very low47Very low188 Ų188142.1 Ų142.182%0.81769%0.687SS**  trans-64.398.1169.7-74-178.8177.8175.30108.3K123 K127K123-K125 PolarHBondContact O-N 3.34Å; K125-K127 PolarHBondContact O-N 2.87Å
126E42Very low49.6Very low170 Ų170135.6 Ų135.679%0.79466%0.658SS**  trans-43.7111.8172.6-70.8-165.7130.800110.2E124 K128E124-E126 PolarHBondContact O-N 3.32Å; E126-K128 PolarHBondContact O-N 2.82Å
127K36.9Very low52.6Low197 Ų197128 Ų12886%0.85763%0.627SS**  trans-72.186.3176.8-74.9174.1-179.1163.60107.8K125 V129K125-K127 PolarHBondContact O-N 2.87Å; K127-V129 PolarHBondContact O-N 3.01Å
128K47.2Very low55.4Low193 Ų193124.1 Ų124.184%0.83961%0.608SS**  trans-40.397.4178.3-69.6-172.6177.6-176.40110.1E126 K130E126-K128 PolarHBondContact O-N 2.82Å; K128-K130 PolarHBondContact O-N 2.85Å
129V46.8Very low57.8Low99 Ų99115.9 Ų115.960%0.657%0.57SS**  trans-61130.5-178.9179.70000106.2K127 K131K127-V129 PolarHBondContact O-N 3.01Å; V129-K131 PolarHBondContact O-N 3.21Å
130K57.6Low60Low162 Ų162110.9 Ų110.970%0.70456%0.555SS**  trans-69.286.3-176.6-65.7-175.7-179.5-177.80108.3K128 T132K128-K130 PolarHBondContact O-N 2.85Å; K130-T132 PolarHBondContact O-N 3.24Å; K130-T132 PolarHBondContact O-OG1 2.95Å
131K69.2Low61.9Low114 Ų114108.4 Ų108.450%0.49655%0.554SS.*  trans-48.7104.8-175.7-63.9-162.2176.7-168.90107.8V129 F413V129-K131 PolarHBondContact O-N 3.21Å; K131-F413 HydrophobicContact CB-CZ 4.37Å
132T83.3Confident63.7Low81 Ų81103.3 Ų103.350%0.49754%0.538SS..PPolyproline II helixtrans-79.2130.6-176.1-67.40000106.6K130 P134 N394 W396K130-T132 PolarHBondContact O-N 3.24Å; K130-T132 PolarHBondContact O-OG1 2.95Å; T132-P134 WeakPolarHBondContact O-CD 3.49Å; T132-N394 PolarHBondContact N-O 3.42Å; T132-W396 PolarHBondContact O-NE1 2.85Å
133I85.9Confident65.9Low39 Ų39102.4 Ų102.420%0.252%0.521CS..PPolyproline II helixtrans-67.6124.9-179.1-43.6173.1000108.6A137 L139 L144 A147 F413I133-A137 HydrophobicContact CG2-CB 3.93Å; I133-L139 HydrophobicContact CG2-CD1 3.89Å; I133-L144 HydrophobicContact CD1-CD2 4.23Å; I133-L144 HydrophobicContact CG2-CD2 4.31Å; I133-A147 HydrophobicContact CD1-CB 3.52Å; I133-A147 HydrophobicContact CG1-CB 4.18Å; I133-F413 HydrophobicContact CG2-CD1 4.44Å; I133-F413 HydrophobicContact CG2-CE1 4.18Å
134P88.9Confident67.9Low5 Ų595.5 Ų95.53%0.03249%0.493CS..PPolyproline II helixtrans-72.5149.8173.223.8-23.6000110.8T132 W136 A137 W396 F413T132-P134 WeakPolarHBondContact O-CD 3.49Å; P134-W136 HydrophobicContact CB-CD2 3.95Å; P134-W136 HydrophobicContact CB-CG 4.17Å; P134-W136 HydrophobicContact CB-CZ2 3.99Å; P134-W136 HydrophobicContact CG-CD2 3.96Å; P134-W136 HydrophobicContact CG-CE3 4.29Å; P134-W136 HydrophobicContact CG-CH2 3.98Å; P134-W136 HydrophobicContact CG-CZ2 3.63Å; P134-W136 HydrophobicContact CG-CZ3 4.3Å; P134-W136 PolarHBondContact O-N 2.9Å; P134-W136 VanDerWaalsContact O-N 3.15Å; P134-A137 HydrophobicContact CG-CB 4.04Å; P134-A137 WeakPolarHBondContact O-CB 3.31Å; P134-A137 PolarHBondContact O-N 3Å; P134-A137 VanDerWaalsContact O-N 3.1Å; P134-W396 HydrophobicContact CB-CD2 3.78Å; P134-W396 HydrophobicContact CB-CE3 4.31Å; P134-W396 HydrophobicContact CB-CG 3.98Å; P134-W396 HydrophobicContact CB-CZ2 4.17Å; P134-W396 HydrophobicContact CG-CB 4.38Å; P134-W396 HydrophobicContact CG-CD2 4.28Å; P134-W396 HydrophobicContact CG-CG 3.92Å; P134-F413 VanDerWaalsContact CD-CD2 3.48Å; P134-F413 HydrophobicContact CG-CB 4.38Å; P134-F413 HydrophobicContact CG-CD2 3.79Å; P134-F413 HydrophobicContact CG-CE2 4.28Å; P134-F413 HydrophobicContact CG-CG 4.12Å
135S85.5Confident69.6Low114 Ų11489 Ų8980%0.79747%0.47SS*.THydrogen-bonded Turntrans-62.9-19.9-178.735.90000114.5
136W87.6Confident71.5Confident28 Ų2888.6 Ų88.611%0.10646%0.463CS..THydrogen-bonded Turntrans-86.4-13.417752.4-108.9000114.1P134 T138 P264 W396 L411 F413 Y415P134-W136 HydrophobicContact CB-CD2 3.95Å; P134-W136 HydrophobicContact CB-CG 4.17Å; P134-W136 HydrophobicContact CB-CZ2 3.99Å; P134-W136 HydrophobicContact CG-CD2 3.96Å; P134-W136 HydrophobicContact CG-CE3 4.29Å; P134-W136 HydrophobicContact CG-CH2 3.98Å; P134-W136 HydrophobicContact CG-CZ2 3.63Å; P134-W136 HydrophobicContact CG-CZ3 4.3Å; P134-W136 PolarHBondContact O-N 2.9Å; P134-W136 VanDerWaalsContact O-N 3.15Å; W136-T138 PolarHBondContact O-N 3.41Å; W136-P264 HydrophobicContact CB-CG 4.3Å; W136-P264 HydrophobicContact CD2-CB 4Å; W136-P264 HydrophobicContact CD2-CG 3.28Å; W136-P264 HydrophobicContact CE3-CB 3.96Å; W136-P264 HydrophobicContact CE3-CG 3.75Å; W136-P264 HydrophobicContact CG-CB 4.39Å; W136-P264 HydrophobicContact CG-CG 3.54Å; W136-P264 HydrophobicContact CH2-CG 4.24Å; W136-P264 HydrophobicContact CZ2-CG 3.81Å; W136-P264 HydrophobicContact CZ3-CB 4.32Å; W136-P264 HydrophobicContact CZ3-CG 4.21Å; W136-W396 HydrophobicContact CZ2-CB 4.29Å; W136-L411 HydrophobicContact CH2-CB 4.41Å; W136-L411 HydrophobicContact CH2-CD1 4.36Å; W136-L411 HydrophobicContact CH2-CD2 4.22Å; W136-L411 HydrophobicContact CZ3-CD1 4.35Å; W136-F413 HydrophobicContact CH2-CB 4.15Å; W136-F413 HydrophobicContact CZ3-CB 3.97Å; W136-Y415 HydrophobicContact CB-CD2 4.35Å; W136-Y415 HydrophobicContact CB-CE2 4.22Å; W136-Y415 HydrophobicContact CE3-CD2 4.09Å; W136-Y415 HydrophobicContact CE3-CG 4.28Å; W136-Y415 VanDerWaalsContact O-CD2 3.31Å; W136-Y415 WeakPolarHBondContact O-CD2 3.24Å
137A90.4Very high72.6Confident14 Ų1481.7 Ų81.712%0.11644%0.435CS..  trans-63.5120.8-173.500000112.4I133 P134 L139 F413 P414I133-A137 HydrophobicContact CG2-CB 3.93Å; P134-A137 HydrophobicContact CG-CB 4.04Å; P134-A137 WeakPolarHBondContact O-CB 3.31Å; P134-A137 PolarHBondContact O-N 3Å; P134-A137 VanDerWaalsContact O-N 3.1Å; A137-L139 HydrophobicContact CB-CG 4.3Å; A137-L139 PolarHBondContact O-N 3.32Å; A137-F413 HydrophobicContact CB-CB 3.81Å; A137-F413 HydrophobicContact CB-CD1 4.15Å; A137-F413 HydrophobicContact CB-CG 4.15Å; A137-P414 CarbonylContact C-O 3.32Å; A137-P414 WeakPolarHBondContact CA-O 3.21Å
138T88.8Confident73.9Confident46 Ų4677 Ų7728%0.28242%0.417SS..  trans-85.652.2-179.8-36.90000111.6W136 P414 Y415 Y416W136-T138 PolarHBondContact O-N 3.41Å; T138-P414 PolarHBondContact N-O 3.5Å; T138-Y415 WeakPolarHBondContact OG1-CA 3.37Å; T138-Y416 HydrophobicContact CG2-CD2 3.83Å; T138-Y416 HydrophobicContact CG2-CG 4.33Å; T138-Y416 PolarHBondContact OG1-N 3.49Å
139L81.2Confident74.5Confident26 Ų2676.7 Ų76.714%0.13642%0.415CS..  trans-74.4143.5173.9-70.3177.4000110.9I133 A137 Q143 L144 F413 P414I133-L139 HydrophobicContact CG2-CD1 3.89Å; A137-L139 HydrophobicContact CB-CG 4.3Å; A137-L139 PolarHBondContact O-N 3.32Å; L139-Q143 HydrophobicContact CB-CB 4.13Å; L139-Q143 HydrophobicContact CD2-CB 4.24Å; L139-L144 HydrophobicContact CB-CD2 3.84Å; L139-L144 HydrophobicContact CB-CG 3.78Å; L139-L144 HydrophobicContact CD1-CD2 4.1Å; L139-L144 WeakPolarHBondContact O-CD1 3.44Å; L139-F413 HydrophobicContact CD1-CD1 4Å; L139-F413 HydrophobicContact CD1-CE1 4.2Å; L139-F413 HydrophobicContact CG-CD1 4.44Å; L139-P414 HydrophobicContact CD2-CG 4.22Å
140S76.6Confident75Confident51 Ų5180 Ų8036%0.35742%0.424SS..  trans-63.7155.6172.664.80000111.8S142 Q143 L144S140-S142 PolarHBondContact O-N 3.4Å; S140-S142 VanDerWaalsContact O-N 3.11Å; S140-S142 PolarHBondContact OG-OG 2.86Å; S140-Q143 PolarHBondContact O-N 2.94Å; S140-Q143 VanDerWaalsContact OG-CD 3.26Å; S140-Q143 WeakPolarHBondContact OG-CG 3.5Å; S140-Q143 PolarHBondContact OG-N 3.17Å; S140-Q143 PolarHBondContact OG-OE1 3.42Å; S140-L144 PolarHBondContact O-N 2.97Å
141A69.3Low74.7Confident83 Ų8374.7 Ų74.769%0.68641%0.405SS*.Hα-helixtrans-55.4-32.9-17900000113.5A145A141-A145 VanDerWaalsContact O-CB 3.25Å; A141-A145 WeakPolarHBondContact O-CB 3.36Å; A141-A145 PolarHBondContact O-N 3.46Å
142S69.3Low73.8Confident73 Ų7374.7 Ų74.751%0.5142%0.417SS..Hα-helixtrans-73.8-37.4176.160.80000112.8S140 R146S140-S142 PolarHBondContact O-N 3.4Å; S140-S142 VanDerWaalsContact O-N 3.11Å; S140-S142 PolarHBondContact OG-OG 2.86Å; S142-R146 WeakPolarHBondContact O-CB 3.35Å; S142-R146 VanDerWaalsContact O-CG 3.27Å; S142-R146 WeakPolarHBondContact O-CG 3.46Å; S142-R146 PolarHBondContact O-N 3.1Å
143Q75.6Confident71.7Confident90 Ų9078.7 Ų78.742%0.42143%0.432SS..Hα-helixtrans-67.4-44.9172.1-72.6163.5-45.300111.2L139 S140 A145 R146 A147L139-Q143 HydrophobicContact CB-CB 4.13Å; L139-Q143 HydrophobicContact CD2-CB 4.24Å; S140-Q143 PolarHBondContact O-N 2.94Å; S140-Q143 VanDerWaalsContact OG-CD 3.26Å; S140-Q143 WeakPolarHBondContact OG-CG 3.5Å; S140-Q143 PolarHBondContact OG-N 3.17Å; S140-Q143 PolarHBondContact OG-OE1 3.42Å; Q143-A145 PolarHBondContact O-N 2.9Å; Q143-R146 PolarHBondContact O-N 3.26Å; Q143-A147 WeakPolarHBondContact O-CB 3.21Å; Q143-A147 PolarHBondContact O-N 3.12Å
144L75.1Confident69.7Low55 Ų5579.1 Ų79.129%0.28844%0.442SS..Hα-helixtrans-57-47.8172.9-72.5172.2000110.9I133 L139 S140 R146 A147 Q148I133-L144 HydrophobicContact CD1-CD2 4.23Å; I133-L144 HydrophobicContact CG2-CD2 4.31Å; L139-L144 HydrophobicContact CB-CD2 3.84Å; L139-L144 HydrophobicContact CB-CG 3.78Å; L139-L144 HydrophobicContact CD1-CD2 4.1Å; L139-L144 WeakPolarHBondContact O-CD1 3.44Å; S140-L144 PolarHBondContact O-N 2.97Å; L144-R146 PolarHBondContact O-N 3.37Å; L144-A147 PolarHBondContact O-N 3.16Å; L144-Q148 WeakPolarHBondContact O-CB 3.47Å; L144-Q148 WeakPolarHBondContact O-CG 3.43Å; L144-Q148 PolarHBondContact O-N 3.42Å
145A69.6Low67.4Low40 Ų4082.4 Ų82.433%0.33147%0.465SS..Hα-helixtrans-63.6-39.7177.700000113A141 Q143 K149A141-A145 VanDerWaalsContact O-CB 3.25Å; A141-A145 WeakPolarHBondContact O-CB 3.36Å; A141-A145 PolarHBondContact O-N 3.46Å; Q143-A145 PolarHBondContact O-N 2.9Å; A145-K149 WeakPolarHBondContact O-CB 3.45Å; A145-K149 WeakPolarHBondContact O-CG 3.31Å; A145-K149 PolarHBondContact O-N 3.5Å
146R74.4Confident65.6Low181 Ų18179.4 Ų79.468%0.68344%0.444SS*.Hα-helixtrans-64.3-49.2175.5-76.8172.9179.6-1760.5111.6S142 Q143 L144 K149 Q150S142-R146 WeakPolarHBondContact O-CB 3.35Å; S142-R146 VanDerWaalsContact O-CG 3.27Å; S142-R146 WeakPolarHBondContact O-CG 3.46Å; S142-R146 PolarHBondContact O-N 3.1Å; Q143-R146 PolarHBondContact O-N 3.26Å; L144-R146 PolarHBondContact O-N 3.37Å; R146-K149 PolarHBondContact O-N 2.93Å; R146-Q150 PolarHBondContact O-N 2.96Å
147A65.1Low63.7Low25 Ų2584.6 Ų84.621%0.20748%0.481CS..Hα-helixtrans-67.8-39.9179.800000112I133 Q143 L144 K149 Q150 T151I133-A147 HydrophobicContact CD1-CB 3.52Å; I133-A147 HydrophobicContact CG1-CB 4.18Å; Q143-A147 WeakPolarHBondContact O-CB 3.21Å; Q143-A147 PolarHBondContact O-N 3.12Å; L144-A147 PolarHBondContact O-N 3.16Å; A147-K149 PolarHBondContact O-N 2.94Å; A147-Q150 PolarHBondContact O-N 3.18Å; A147-Q150 VanDerWaalsContact O-N 3.11Å; A147-T151 PolarHBondContact O-N 3.36Å
148Q64.9Low61.8Low99 Ų9993.1 Ų93.146%0.46351%0.51SS..Hα-helixtrans-58.7-45.8171.8-78.4177600111.8L144 Q150 T151 A154L144-Q148 WeakPolarHBondContact O-CB 3.47Å; L144-Q148 WeakPolarHBondContact O-CG 3.43Å; L144-Q148 PolarHBondContact O-N 3.42Å; Q148-Q150 PolarHBondContact O-N 2.9Å; Q148-T151 PolarHBondContact O-N 3.21Å; Q148-T151 VanDerWaalsContact O-O 3.08Å; Q148-T151 PolarHBondContact O-OG1 3.15Å; Q148-A154 HydrophobicContact CB-CB 3.81Å; Q148-A154 HydrophobicContact CG-CB 4.48Å; Q148-A154 WeakPolarHBondContact O-CB 3.29Å
149K59.4Low60.4Low186 Ų18694.3 Ų94.381%0.80952%0.519SS*.Hα-helixtrans-59.5-25.9175.2-77.6174179.2-172.60113.6A145 R146 A147A145-K149 WeakPolarHBondContact O-CB 3.45Å; A145-K149 WeakPolarHBondContact O-CG 3.31Å; A145-K149 PolarHBondContact O-N 3.5Å; R146-K149 PolarHBondContact O-N 2.93Å; A147-K149 PolarHBondContact O-N 2.94Å
150Q58.2Low60.1Low167 Ų16799.5 Ų99.578%0.7854%0.54SS*.Hα-helixtrans-84.7-12174.4-68.2176.8-5.200113.3R146 A147 Q148R146-Q150 PolarHBondContact O-N 2.96Å; A147-Q150 PolarHBondContact O-N 3.18Å; A147-Q150 VanDerWaalsContact O-N 3.11Å; Q148-Q150 PolarHBondContact O-N 2.9Å
151T50.8Low60.5Low52 Ų5298.5 Ų98.532%0.31953%0.53SS..SBendtrans-93.3130.5172.466.20000111.7A147 Q148 M153 A154A147-T151 PolarHBondContact O-N 3.36Å; Q148-T151 PolarHBondContact O-N 3.21Å; Q148-T151 VanDerWaalsContact O-O 3.08Å; Q148-T151 PolarHBondContact O-OG1 3.15Å; T151-M153 PolarHBondContact O-N 2.84Å; T151-A154 PolarHBondContact O-N 3.03Å
152P49Very low61.3Low114 Ų11495.5 Ų95.574%0.7450%0.503SS*.THydrogen-bonded Turntrans-74.523.3-179.133-37.7000113.9
153M41Very low62.2Low164 Ų16494.5 Ų94.581%0.80850%0.499SS*.THydrogen-bonded Turntrans-127.2-7.5-173.6-73.7-83.1-100.600113.2T151 S155T151-M153 PolarHBondContact O-N 2.84Å; M153-S155 PolarHBondContact O-N 2.88Å
154A42.1Very low62.8Low49 Ų4990.3 Ų90.341%0.40548%0.479SS..  trans-76.859.3-178.500000113.5Q148 T151 S156Q148-A154 HydrophobicContact CB-CB 3.81Å; Q148-A154 HydrophobicContact CG-CB 4.48Å; Q148-A154 WeakPolarHBondContact O-CB 3.29Å; T151-A154 PolarHBondContact O-N 3.03Å; A154-S156 PolarHBondContact O-N 2.79Å
155S41.7Very low63.5Low74 Ų7487.7 Ų87.752%0.51747%0.466SS..  trans-65122.3163172.80000109.6M153M153-S155 PolarHBondContact O-N 2.88Å
156S47Very low64.5Low51 Ų5187.2 Ų87.236%0.35746%0.458SS..  trans-44.6159.9165.1630000112.9A154 R158A154-S156 PolarHBondContact O-N 2.79Å; S156-R158 PolarHBondContact O-N 3.29Å
157P48.2Very low65.3Low137 Ų13781.9 Ų81.989%0.8944%0.441SS*.SBendtrans-70.330.3-175.431.6-38.5000115.8
158R50.3Low66.6Low193 Ų19380.7 Ų80.773%0.72843%0.431SS*.SBendtrans-59.9126.1160.5-72.8-169.3-81.1-112.25108.3S156 K160S156-R158 PolarHBondContact O-N 3.29Å; R158-K160 PolarHBondContact O-N 2.86Å; R158-K160 VanDerWaalsContact O-N 3.11Å
159P59.5Low67.9Low71 Ų7176 Ų7646%0.46141%0.409SS..PPolyproline II helixtrans-60.7119.8-179.723.2-32000109.5A163 I164P159-A163 HydrophobicContact CB-CB 4.45Å; P159-I164 HydrophobicContact CB-CG1 4.05Å; P159-I164 HydrophobicContact CG-CD1 4.19Å; P159-I164 HydrophobicContact CG-CG1 4.08Å; P159-I164 WeakPolarHBondContact O-CD1 3.25Å
160K75.5Confident69.4Low134 Ų13474 Ų7458%0.58340%0.401SS*.PPolyproline II helixtrans-60.8147.7178.9-65.5177.2-179175.10108.9R158 D162 A163 I164R158-K160 PolarHBondContact O-N 2.86Å; R158-K160 VanDerWaalsContact O-N 3.11Å; K160-D162 PolarHBondContact O-N 2.8Å; K160-A163 WeakPolarHBondContact O-CB 3.29Å; K160-A163 PolarHBondContact O-N 3.43Å; K160-I164 PolarHBondContact O-N 2.9Å
161M85.3Confident70.9Confident30 Ų3068.8 Ų68.815%0.14839%0.386CS..Hα-helixtrans-49.3-31.7-174.3-174.560.2-176.600114.2A163 I164 L165 I187 L194 L196 L203 A206M161-A163 VanDerWaalsContact C-N 3.33Å; M161-A163 PolarHBondContact O-N 2.81Å; M161-I164 PolarHBondContact O-N 3.39Å; M161-L165 WeakPolarHBondContact O-CB 3.46Å; M161-L165 PolarHBondContact O-N 3Å; M161-I187 HydrophobicContact CE-CD1 4.21Å; M161-L194 HydrophobicContact CE-CD2 4.45Å; M161-L194 HydrophobicContact SD-CD2 3.52Å; M161-L194 VanDerWaalsContact SD-CD2 3.52Å; M161-L196 HydrophobicContact CE-CD1 4.05Å; M161-L196 HydrophobicContact CE-CD2 4.26Å; M161-L203 HydrophobicContact CE-CB 3.97Å; M161-L203 HydrophobicContact CE-CD1 3.77Å; M161-L203 HydrophobicContact CE-CG 4.48Å; M161-A206 HydrophobicContact CB-CB 4.39Å; M161-A206 HydrophobicContact CE-CB 4.45Å; M161-A206 HydrophobicContact CG-CB 3.52Å
162D85.7Confident72.7Confident21 Ų2167.5 Ų67.511%0.11238%0.379CS..Hα-helixtrans-63.1-35.5176.7-51.2-25.3000112.8K160 T166 R209 R213K160-D162 PolarHBondContact O-N 2.8Å; D162-T166 WeakPolarHBondContact O-CB 3.34Å; D162-T166 PolarHBondContact O-N 3.04Å; D162-T166 PolarHBondContact O-OG1 2.8Å; D162-R209 VanDerWaalsContact CG-NH2 3.34Å; D162-R209 IonicContact OD1-CZ 3.5Å; D162-R209 VanDerWaalsContact OD1-CZ 3.22Å; D162-R209 IonicContact OD1-NE 3.23Å; D162-R209 PolarHBondContact OD1-NE 2.73Å; D162-R209 IonicContact OD1-NH2 3.28Å; D162-R209 PolarHBondContact OD1-NH2 3.18Å; D162-R209 IonicContact OD2-CZ 2.69Å; D162-R209 IonicContact OD2-NE 3.99Å; D162-R209 PolarHBondContact OD2-NE 3.28Å; D162-R209 IonicContact OD2-NH2 2.93Å; D162-R209 PolarHBondContact OD2-NH2 3.17Å; D162-R213 VanDerWaalsContact CG-NH1 3.31Å; D162-R213 IonicContact OD1-NH1 3.73Å; D162-R213 IonicContact OD2-CZ 2.66Å; D162-R213 IonicContact OD2-NH1 3.65Å; D162-R213 PolarHBondContact OD2-NH1 3.32Å; D162-R213 IonicContact OD2-NH2 2.66Å
163A88Confident74.6Confident51 Ų5167.8 Ų67.842%0.42137%0.369SS..Hα-helixtrans-73.2-48.7177.400000111.1P159 K160 M161 L165 T166 E167P159-A163 HydrophobicContact CB-CB 4.45Å; K160-A163 WeakPolarHBondContact O-CB 3.29Å; K160-A163 PolarHBondContact O-N 3.43Å; M161-A163 VanDerWaalsContact C-N 3.33Å; M161-A163 PolarHBondContact O-N 2.81Å; A163-L165 PolarHBondContact O-N 3.45Å; A163-T166 WeakPolarHBondContact O-CB 3.42Å; A163-T166 PolarHBondContact O-N 3.1Å; A163-T166 VanDerWaalsContact O-N 3.09Å; A163-E167 WeakPolarHBondContact O-CB 3.32Å; A163-E167 PolarHBondContact O-N 2.76Å
164I88.6Confident76.8Confident3 Ų365.5 Ų65.52%0.01536%0.356CS..Hα-helixtrans-55.7-42.7174.2-60.7177.3000110.4P159 K160 M161 E167 A168 I187 Y191 L194P159-I164 HydrophobicContact CB-CG1 4.05Å; P159-I164 HydrophobicContact CG-CD1 4.19Å; P159-I164 HydrophobicContact CG-CG1 4.08Å; P159-I164 WeakPolarHBondContact O-CD1 3.25Å; K160-I164 PolarHBondContact O-N 2.9Å; M161-I164 PolarHBondContact O-N 3.39Å; I164-E167 PolarHBondContact O-N 3.37Å; I164-A168 VanDerWaalsContact O-CB 3.31Å; I164-A168 WeakPolarHBondContact O-CB 3.01Å; I164-A168 PolarHBondContact O-N 3.48Å; I164-I187 HydrophobicContact CG2-CB 4.4Å; I164-I187 HydrophobicContact CG2-CD1 3.96Å; I164-I187 HydrophobicContact CG2-CG1 3.82Å; I164-I187 HydrophobicContact CG2-CG2 3.66Å; I164-Y191 HydrophobicContact CG2-CD2 3.79Å; I164-Y191 HydrophobicContact CG2-CE2 3.82Å; I164-L194 HydrophobicContact CD1-CD1 4.08Å; I164-L194 HydrophobicContact CD1-CD2 4.01Å
165L89.8Confident78.7Confident0 Ų073.9 Ų73.90%038%0.384CS..Hα-helixtrans-64.3-44.1175.8177.960000112.4M161 A163 E167 A168 I169 I183 L203 A206 L207 E210M161-L165 WeakPolarHBondContact O-CB 3.46Å; M161-L165 PolarHBondContact O-N 3Å; A163-L165 PolarHBondContact O-N 3.45Å; L165-E167 VanDerWaalsContact C-N 3.31Å; L165-E167 PolarHBondContact O-N 2.63Å; L165-A168 PolarHBondContact O-N 3.45Å; L165-I169 HydrophobicContact CD1-CD1 3.81Å; L165-I169 HydrophobicContact CD1-CG1 4.21Å; L165-I169 HydrophobicContact CG-CD1 3.94Å; L165-I169 VanDerWaalsContact O-CG1 3.26Å; L165-I169 WeakPolarHBondContact O-CG1 3.34Å; L165-I169 PolarHBondContact O-N 2.88Å; L165-I183 HydrophobicContact CD1-CG2 3.74Å; L165-L203 HydrophobicContact CD1-CD1 3.85Å; L165-A206 HydrophobicContact CD2-CB 3.93Å; L165-L207 HydrophobicContact CD1-CD2 3.87Å; L165-L207 HydrophobicContact CD1-CG 4.17Å; L165-L207 HydrophobicContact CD2-CD2 4.1Å; L165-L207 HydrophobicContact CD2-CG 4.15Å; L165-E210 HydrophobicContact CD2-CB 4.31Å
166T90.3Very high80.6Confident29 Ų2973 Ų7318%0.17838%0.378CS..Hα-helixtrans-63.9-38.2177.6-61.10000111.6D162 A163 K170 V230D162-T166 WeakPolarHBondContact O-CB 3.34Å; D162-T166 PolarHBondContact O-N 3.04Å; D162-T166 PolarHBondContact O-OG1 2.8Å; A163-T166 WeakPolarHBondContact O-CB 3.42Å; A163-T166 PolarHBondContact O-N 3.1Å; A163-T166 VanDerWaalsContact O-N 3.09Å; T166-K170 WeakPolarHBondContact O-CG 3.26Å; T166-K170 PolarHBondContact O-N 3Å; T166-V230 HydrophobicContact CG2-CG1 4.36Å; T166-V230 HydrophobicContact CG2-CG2 4Å
167E91.6Very high82.6Confident69 Ų6970.7 Ų70.732%0.32236%0.361SS..Hα-helixtrans-67.5-48.5175.2-172179.2161.400111.6A163 I164 L165 I169 K170 A171 K190 Y191A163-E167 WeakPolarHBondContact O-CB 3.32Å; A163-E167 PolarHBondContact O-N 2.76Å; I164-E167 PolarHBondContact O-N 3.37Å; L165-E167 VanDerWaalsContact C-N 3.31Å; L165-E167 PolarHBondContact O-N 2.63Å; E167-I169 VanDerWaalsContact C-N 3.33Å; E167-I169 PolarHBondContact O-N 3.09Å; E167-K170 WeakPolarHBondContact O-CB 3.49Å; E167-K170 PolarHBondContact O-N 3.32Å; E167-K170 VanDerWaalsContact O-N 3.1Å; E167-A171 PolarHBondContact O-N 2.74Å; E167-K190 IonicContact OE1-NZ 2.63Å; E167-K190 PolarHBondContact OE1-NZ 2.93Å; E167-Y191 PolarHBondContact OE2-OH 2.88Å
168A92.1Very high84.6Confident0 Ų064.1 Ų64.10%032%0.319CS..Hα-helixtrans-60.5-38.417700000112.8I164 L165 K170 A171 C172 I183 Y186 I187I164-A168 VanDerWaalsContact O-CB 3.31Å; I164-A168 WeakPolarHBondContact O-CB 3.01Å; I164-A168 PolarHBondContact O-N 3.48Å; L165-A168 PolarHBondContact O-N 3.45Å; A168-K170 VanDerWaalsContact C-N 3.33Å; A168-K170 PolarHBondContact O-N 2.89Å; A168-A171 PolarHBondContact O-N 3.02Å; A168-C172 VanDerWaalsContact O-CB 3.29Å; A168-C172 WeakPolarHBondContact O-CB 3.3Å; A168-C172 PolarHBondContact O-N 3.46Å; A168-I183 HydrophobicContact CB-CG2 4.03Å; A168-Y186 HydrophobicContact CB-CD1 3.58Å; A168-Y186 HydrophobicContact CB-CE1 4.17Å; A168-Y186 HydrophobicContact CB-CG 4.33Å; A168-I187 HydrophobicContact CB-CD1 3.99Å; A168-I187 HydrophobicContact CB-CG1 3.77Å
169I91.5Very high86.6Confident1 Ų156.6 Ų56.61%0.00530%0.296CS..Hα-helixtrans-68.5-32.4176.2-66.7165.2000111.7L165 E167 F173 A178 I183 I216 F228 V230L165-I169 HydrophobicContact CD1-CD1 3.81Å; L165-I169 HydrophobicContact CD1-CG1 4.21Å; L165-I169 HydrophobicContact CG-CD1 3.94Å; L165-I169 VanDerWaalsContact O-CG1 3.26Å; L165-I169 WeakPolarHBondContact O-CG1 3.34Å; L165-I169 PolarHBondContact O-N 2.88Å; E167-I169 VanDerWaalsContact C-N 3.33Å; E167-I169 PolarHBondContact O-N 3.09Å; I169-F173 WeakPolarHBondContact O-CB 3.47Å; I169-F173 PolarHBondContact O-N 3.36Å; I169-A178 HydrophobicContact CB-CB 4.36Å; I169-A178 HydrophobicContact CG1-CB 4.43Å; I169-A178 HydrophobicContact CG2-CB 4.1Å; I169-I183 HydrophobicContact CD1-CD1 4.26Å; I169-I183 HydrophobicContact CG1-CD1 3.56Å; I169-I183 HydrophobicContact CG1-CG1 3.97Å; I169-I216 HydrophobicContact CD1-CD1 4.28Å; I169-I216 HydrophobicContact CD1-CG2 3.73Å; I169-F228 HydrophobicContact CD1-CB 4.19Å; I169-V230 HydrophobicContact CB-CG2 3.98Å; I169-V230 HydrophobicContact CG2-CG2 3.73Å
170K90.8Very high88Confident143 Ų14354.8 Ų54.862%0.62228%0.283SS*.Hα-helixtrans-70.6-47173-71.2169.6-179.9-179.70111.5T166 E167 A168 F173 V230T166-K170 WeakPolarHBondContact O-CG 3.26Å; T166-K170 PolarHBondContact O-N 3Å; E167-K170 WeakPolarHBondContact O-CB 3.49Å; E167-K170 PolarHBondContact O-N 3.32Å; E167-K170 VanDerWaalsContact O-N 3.1Å; A168-K170 VanDerWaalsContact C-N 3.33Å; A168-K170 PolarHBondContact O-N 2.89Å; K170-F173 VanDerWaalsContact O-CB 3.31Å; K170-F173 WeakPolarHBondContact O-CB 3.38Å; K170-F173 PolarHBondContact O-N 3.15Å; K170-V230 HydrophobicContact CG-CG2 4.39Å
171A90.8Very high88.8Confident58 Ų5853.1 Ų53.148%0.47928%0.284SS..Hα-helixtrans-68.5-36.5-177.900000112.9E167 A168 F173 Y186E167-A171 PolarHBondContact O-N 2.74Å; A168-A171 PolarHBondContact O-N 3.02Å; A171-F173 VanDerWaalsContact C-N 3.35Å; A171-Y186 HydrophobicContact CB-CD2 4.09Å; A171-Y186 HydrophobicContact CB-CE1 4.16Å; A171-Y186 HydrophobicContact CB-CE2 3.41Å; A171-Y186 VanDerWaalsContact CB-CE2 3.41Å; A171-Y186 VanDerWaalsContact CB-CZ 3.45Å
172C88.8Confident89Confident25 Ų2553 Ų5317%0.16929%0.287CS..THydrogen-bonded Turntrans-94.821.7176-61.30000113.4A168 Q174 A178 A182 Y186A168-C172 VanDerWaalsContact O-CB 3.29Å; A168-C172 WeakPolarHBondContact O-CB 3.3Å; A168-C172 PolarHBondContact O-N 3.46Å; C172-Q174 PolarHBondContact O-N 3.21Å; C172-A178 HydrophobicContact CB-CB 3.97Å; C172-A178 WeakPolarHBondContact O-CA 3.3Å; C172-A178 VanDerWaalsContact O-CB 3.24Å; C172-A178 WeakPolarHBondContact O-CB 3.44Å; C172-A182 HydrophobicContact CB-CB 3.98Å; C172-Y186 VanDerWaalsContact SG-CB 3.59Å
173F87.9Confident89.3Confident121 Ų12152 Ų5253%0.53128%0.282SS..  trans-68.2123.9-179-177.6-99.5000111.4I169 K170 A171 V229I169-F173 WeakPolarHBondContact O-CB 3.47Å; I169-F173 PolarHBondContact O-N 3.36Å; K170-F173 VanDerWaalsContact O-CB 3.31Å; K170-F173 WeakPolarHBondContact O-CB 3.38Å; K170-F173 PolarHBondContact O-N 3.15Å; A171-F173 VanDerWaalsContact C-N 3.35Å; F173-V229 HydrophobicContact CD2-CG2 4.42Å; F173-V229 HydrophobicContact CE2-CB 4.47Å; F173-V229 HydrophobicContact CE2-CG1 3.9Å; F173-V229 HydrophobicContact CE2-CG2 3.83Å
174Q87.1Confident89.4Confident116 Ų11654 Ų5454%0.54228%0.279SS..  trans-120.8171.9174.7-66.3-177.9-26.500109.8C172 S176 G177C172-Q174 PolarHBondContact O-N 3.21Å; Q174-S176 PolarHBondContact O-N 3.39Å; Q174-G177 PolarHBondContact O-N 3.3Å
175K82.9Confident89.6Confident225 Ų22561.3 Ų61.398%0.97831%0.31SS*.THydrogen-bonded Turntrans-53.2-25.4179.1-64.4-178.8180177.80113.9
176S81.6Confident89.7Confident56 Ų5664.1 Ų64.139%0.39232%0.322SS..THydrogen-bonded Turntrans-1038.8176.355.20000114.9Q174 S227Q174-S176 PolarHBondContact O-N 3.39Å; S176-S227 WeakPolarHBondContact O-CB 3.19Å
177G88.1Confident89.7Confident1 Ų162.8 Ų62.81%0.0131%0.313CS..  trans80.5167-167.600000114.1Q174 F228 V229Q174-G177 PolarHBondContact O-N 3.3Å; G177-F228 CarbonylContact C-O 3.58Å; G177-F228 WeakPolarHBondContact CA-O 3.28Å; G177-V229 VanDerWaalsContact CA-CG2 3.45Å
178A91.1Very high89.6Confident0 Ų062.2 Ų62.20%031%0.312CS..EExtended strand (participates in β ladder)trans-76.3127.4-177.700000111.3I169 C172 I183 S227 F228I169-A178 HydrophobicContact CB-CB 4.36Å; I169-A178 HydrophobicContact CG1-CB 4.43Å; I169-A178 HydrophobicContact CG2-CB 4.1Å; C172-A178 HydrophobicContact CB-CB 3.97Å; C172-A178 WeakPolarHBondContact O-CA 3.3Å; C172-A178 VanDerWaalsContact O-CB 3.24Å; C172-A178 WeakPolarHBondContact O-CB 3.44Å; A178-I183 HydrophobicContact CB-CD1 4.08Å; A178-I183 HydrophobicContact CB-CG1 3.97Å; A178-S227 CarbonylContact O-C 3.56Å; A178-S227 WeakPolarHBondContact O-CA 3.3Å; A178-F228 PolarHBondContact N-O 2.96Å; A178-F228 PolarHBondContact O-N 3.48Å
179S91.7Very high89.4Confident34 Ų3470.4 Ų70.424%0.23835%0.35CS..EExtended strand (participates in β ladder)trans-78.7153.7177.773.10000112.2V181 A182 I183 G226S179-V181 PolarHBondContact O-N 2.78Å; S179-V181 VanDerWaalsContact O-N 3.16Å; S179-A182 PolarHBondContact O-N 3.4Å; S179-A182 VanDerWaalsContact O-N 3.12Å; S179-A182 WeakPolarHBondContact OG-CB 3.38Å; S179-A182 PolarHBondContact OG-N 2.8Å; S179-A182 VanDerWaalsContact OG-N 3.16Å; S179-I183 WeakPolarHBondContact O-CD1 3.43Å; S179-I183 VanDerWaalsContact O-CG1 3.25Å; S179-I183 WeakPolarHBondContact O-CG1 3.49Å; S179-I183 PolarHBondContact O-N 3.15Å; S179-G226 WeakPolarHBondContact CA-O 3.29Å
180V89.9Confident89.4Confident33 Ų3374.8 Ų74.820%0.237%0.369CS..Hα-helixtrans-52.7-37.3173.9-175.80000112R184 L203 L207 A224 G226 F228V180-R184 VanDerWaalsContact O-CB 3.29Å; V180-R184 WeakPolarHBondContact O-CB 3.49Å; V180-R184 PolarHBondContact O-N 3.04Å; V180-L203 HydrophobicContact CG1-CD2 4.35Å; V180-L207 HydrophobicContact CG1-CD1 4.29Å; V180-L207 HydrophobicContact CG2-CD1 4.17Å; V180-A224 WeakPolarHBondContact CG2-O 3.19Å; V180-G226 PolarHBondContact N-O 3.06Å; V180-F228 HydrophobicContact CG2-CD2 4.33Å; V180-F228 HydrophobicContact CG2-CE2 3.67Å
181V90.5Very high89.1Confident100 Ų10070.1 Ų70.161%0.60635%0.348SS*.Hα-helixtrans-68.3-44.3-179.6-176.80000111.1S179 R184 K185S179-V181 PolarHBondContact O-N 2.78Å; S179-V181 VanDerWaalsContact O-N 3.16Å; V181-R184 PolarHBondContact O-N 3.04Å; V181-K185 WeakPolarHBondContact O-CG 3.38Å; V181-K185 PolarHBondContact O-N 2.84Å
182A91.1Very high88.7Confident26 Ų2672 Ų7222%0.21536%0.355CS..Hα-helixtrans-63.9-46.2175.700000111.4C172 S179 R184 K185 Y186C172-A182 HydrophobicContact CB-CB 3.98Å; S179-A182 PolarHBondContact O-N 3.4Å; S179-A182 VanDerWaalsContact O-N 3.12Å; S179-A182 WeakPolarHBondContact OG-CB 3.38Å; S179-A182 PolarHBondContact OG-N 2.8Å; S179-A182 VanDerWaalsContact OG-N 3.16Å; A182-R184 VanDerWaalsContact C-N 3.35Å; A182-R184 PolarHBondContact O-N 3.15Å; A182-K185 PolarHBondContact O-N 3.01Å; A182-Y186 WeakPolarHBondContact O-CB 3.47Å; A182-Y186 PolarHBondContact O-N 2.95Å
183I91.4Very high88.2Confident0 Ų076.2 Ų76.20%038%0.384CS..Hα-helixtrans-57.4-46.2175.4-64.6160.7000110.7L165 A168 I169 A178 S179 Y186 I187 L203 F228L165-I183 HydrophobicContact CD1-CG2 3.74Å; A168-I183 HydrophobicContact CB-CG2 4.03Å; I169-I183 HydrophobicContact CD1-CD1 4.26Å; I169-I183 HydrophobicContact CG1-CD1 3.56Å; I169-I183 HydrophobicContact CG1-CG1 3.97Å; A178-I183 HydrophobicContact CB-CD1 4.08Å; A178-I183 HydrophobicContact CB-CG1 3.97Å; S179-I183 WeakPolarHBondContact O-CD1 3.43Å; S179-I183 VanDerWaalsContact O-CG1 3.25Å; S179-I183 WeakPolarHBondContact O-CG1 3.49Å; S179-I183 PolarHBondContact O-N 3.15Å; I183-Y186 PolarHBondContact O-N 3.5Å; I183-I187 HydrophobicContact CG2-CD1 3.76Å; I183-I187 VanDerWaalsContact O-CG1 3.29Å; I183-I187 WeakPolarHBondContact O-CG1 3.38Å; I183-I187 PolarHBondContact O-N 2.81Å; I183-L203 HydrophobicContact CG2-CD1 3.87Å; I183-L203 HydrophobicContact CG2-CD2 4.46Å; I183-F228 HydrophobicContact CD1-CD2 4.49Å
184R90.4Very high87.8Confident95 Ų9572.6 Ų72.636%0.35837%0.371SS..Hα-helixtrans-64.6-45179.7-164.7180-170.4-165.42111.6V180 V181 A182 I187 I188 L196 E197 L203V180-R184 VanDerWaalsContact O-CB 3.29Å; V180-R184 WeakPolarHBondContact O-CB 3.49Å; V180-R184 PolarHBondContact O-N 3.04Å; V181-R184 PolarHBondContact O-N 3.04Å; A182-R184 VanDerWaalsContact C-N 3.35Å; A182-R184 PolarHBondContact O-N 3.15Å; R184-I187 PolarHBondContact O-N 3.44Å; R184-I188 HydrophobicContact CG-CD1 3.96Å; R184-I188 WeakPolarHBondContact O-CB 3.37Å; R184-I188 VanDerWaalsContact O-CG1 3.29Å; R184-I188 WeakPolarHBondContact O-CG1 3.44Å; R184-I188 PolarHBondContact O-N 2.92Å; R184-L196 PolarHBondContact NE-O 2.95Å; R184-L196 VanDerWaalsContact NE-O 3.1Å; R184-L196 PolarHBondContact NH2-O 3.48Å; R184-E197 PolarHBondContact NH2-O 3.22Å; R184-L203 HydrophobicContact CB-CD2 3.76Å; R184-L203 HydrophobicContact CG-CD2 3.97Å
185K92.5Very high87.5Confident155 Ų15569.8 Ų69.867%0.67436%0.358SS*.Hα-helixtrans-60.5-45.1175.6-75.6-169.5174.2-165.50111.9V181 A182 I187 I188 H189V181-K185 WeakPolarHBondContact O-CG 3.38Å; V181-K185 PolarHBondContact O-N 2.84Å; A182-K185 PolarHBondContact O-N 3.01Å; K185-I187 PolarHBondContact O-N 3.07Å; K185-I188 PolarHBondContact O-N 3.39Å; K185-H189 WeakPolarHBondContact O-CB 3.34Å; K185-H189 PolarHBondContact O-N 3.02Å
186Y91.3Very high87.5Confident60 Ų6059.2 Ų59.224%0.23531%0.311CS..Hα-helixtrans-60-46.9178.2-174.7-91.4000112.4A168 A171 C172 A182 I183 H189 K190A168-Y186 HydrophobicContact CB-CD1 3.58Å; A168-Y186 HydrophobicContact CB-CE1 4.17Å; A168-Y186 HydrophobicContact CB-CG 4.33Å; A171-Y186 HydrophobicContact CB-CD2 4.09Å; A171-Y186 HydrophobicContact CB-CE1 4.16Å; A171-Y186 HydrophobicContact CB-CE2 3.41Å; A171-Y186 VanDerWaalsContact CB-CE2 3.41Å; A171-Y186 VanDerWaalsContact CB-CZ 3.45Å; C172-Y186 VanDerWaalsContact SG-CB 3.59Å; A182-Y186 WeakPolarHBondContact O-CB 3.47Å; A182-Y186 PolarHBondContact O-N 2.95Å; I183-Y186 PolarHBondContact O-N 3.5Å; Y186-H189 PolarHBondContact O-N 3.44Å; Y186-K190 HydrophobicContact CE1-CB 4.4Å; Y186-K190 HydrophobicContact CE1-CD 3.67Å; Y186-K190 VanDerWaalsContact O-CB 3.3Å; Y186-K190 WeakPolarHBondContact O-CB 3.49Å; Y186-K190 PolarHBondContact O-N 3.45Å; Y186-K190 WeakPolarHBondContact OH-CD 3.46Å; Y186-K190 PolarHBondContact OH-NZ 3.49Å; Y186-K190 VanDerWaalsContact OH-NZ 3.17Å
187I90.4Very high87.4Confident0 Ų063.7 Ų63.70%033%0.326CS..Hα-helixtrans-72.1-34.5-178.1-55.5166.6000111.1M161 I164 A168 I183 R184 K185 Y191 L194 L196 L203M161-I187 HydrophobicContact CE-CD1 4.21Å; I164-I187 HydrophobicContact CG2-CB 4.4Å; I164-I187 HydrophobicContact CG2-CD1 3.96Å; I164-I187 HydrophobicContact CG2-CG1 3.82Å; I164-I187 HydrophobicContact CG2-CG2 3.66Å; A168-I187 HydrophobicContact CB-CD1 3.99Å; A168-I187 HydrophobicContact CB-CG1 3.77Å; I183-I187 HydrophobicContact CG2-CD1 3.76Å; I183-I187 VanDerWaalsContact O-CG1 3.29Å; I183-I187 WeakPolarHBondContact O-CG1 3.38Å; I183-I187 PolarHBondContact O-N 2.81Å; R184-I187 PolarHBondContact O-N 3.44Å; K185-I187 PolarHBondContact O-N 3.07Å; I187-Y191 HydrophobicContact CG2-CD2 4.02Å; I187-Y191 CarbonylContact O-C 3.53Å; I187-Y191 VanDerWaalsContact O-C 3.32Å; I187-Y191 VanDerWaalsContact O-CA 3.3Å; I187-Y191 WeakPolarHBondContact O-CA 3.24Å; I187-Y191 WeakPolarHBondContact O-CB 3.4Å; I187-Y191 PolarHBondContact O-N 3.47Å; I187-L194 HydrophobicContact CG2-CD2 3.91Å; I187-L196 HydrophobicContact CB-CD1 3.69Å; I187-L196 HydrophobicContact CD1-CD1 4.2Å; I187-L196 HydrophobicContact CG2-CD1 3.37Å; I187-L203 HydrophobicContact CD1-CD1 4.27Å
188I90.4Very high86.9Confident58 Ų5873.3 Ų73.330%0.29736%0.362SS..Hα-helixtrans-61.2-46.8172.2-71.3168.9000110.8R184 K185 P192 L196R184-I188 HydrophobicContact CG-CD1 3.96Å; R184-I188 WeakPolarHBondContact O-CB 3.37Å; R184-I188 VanDerWaalsContact O-CG1 3.29Å; R184-I188 WeakPolarHBondContact O-CG1 3.44Å; R184-I188 PolarHBondContact O-N 2.92Å; K185-I188 PolarHBondContact O-N 3.39Å; I188-P192 WeakPolarHBondContact O-CA 3.21Å; I188-L196 HydrophobicContact CG1-CB 4.01Å
189H88.1Confident86.5Confident172 Ų17279.1 Ų79.180%0.79638%0.384SS*.Hα-helixtrans-71.6-34.1-178.3-167.9-52.5000113.4K185 Y186K185-H189 WeakPolarHBondContact O-CB 3.34Å; K185-H189 PolarHBondContact O-N 3.02Å; Y186-H189 PolarHBondContact O-N 3.44Å
190K89.8Confident85.9Confident92 Ų9278.2 Ų78.240%0.438%0.381SS..Hα-helixtrans-93.7-25.2-177-165.6172.6-173.6-176.80113.9E167 Y186E167-K190 IonicContact OE1-NZ 2.63Å; E167-K190 PolarHBondContact OE1-NZ 2.93Å; Y186-K190 HydrophobicContact CE1-CB 4.4Å; Y186-K190 HydrophobicContact CE1-CD 3.67Å; Y186-K190 VanDerWaalsContact O-CB 3.3Å; Y186-K190 WeakPolarHBondContact O-CB 3.49Å; Y186-K190 PolarHBondContact O-N 3.45Å; Y186-K190 WeakPolarHBondContact OH-CD 3.46Å; Y186-K190 PolarHBondContact OH-NZ 3.49Å; Y186-K190 VanDerWaalsContact OH-NZ 3.17Å
191Y86.1Confident85.7Confident46 Ų4683.2 Ų83.218%0.1840%0.397CS..  trans-136.465.5-178.9-55.2-84000110.5I164 E167 I187 S193 L194I164-Y191 HydrophobicContact CG2-CD2 3.79Å; I164-Y191 HydrophobicContact CG2-CE2 3.82Å; E167-Y191 PolarHBondContact OE2-OH 2.88Å; I187-Y191 HydrophobicContact CG2-CD2 4.02Å; I187-Y191 CarbonylContact O-C 3.53Å; I187-Y191 VanDerWaalsContact O-C 3.32Å; I187-Y191 VanDerWaalsContact O-CA 3.3Å; I187-Y191 WeakPolarHBondContact O-CA 3.24Å; I187-Y191 WeakPolarHBondContact O-CB 3.4Å; I187-Y191 PolarHBondContact O-N 3.47Å; Y191-S193 PolarHBondContact O-N 2.94Å; Y191-S193 VanDerWaalsContact O-N 3.15Å; Y191-L194 WeakPolarHBondContact O-CB 3.5Å; Y191-L194 PolarHBondContact O-N 3.43Å
192P82.2Confident85.6Confident96 Ų9681 Ų8162%0.62338%0.381SS*.G310 helixtrans-57.3-31178.522.6-33.5000112.3I188 L194 E195I188-P192 WeakPolarHBondContact O-CA 3.21Å; P192-L194 PolarHBondContact O-N 3.07Å; P192-E195 PolarHBondContact O-N 3.18Å
193S78.5Confident85.5Confident114 Ų11479.9 Ų79.980%0.79737%0.372SS*.G310 helixtrans-61.4-9.1173.7570000115.5Y191Y191-S193 PolarHBondContact O-N 2.94Å; Y191-S193 VanDerWaalsContact O-N 3.15Å
194L79.4Confident85.4Confident46 Ų4686.5 Ų86.524%0.24140%0.4CS..G310 helixtrans-86.3-10.3173.6-122.675.7000113.7M161 I164 I187 Y191 P192 L196M161-L194 HydrophobicContact CE-CD2 4.45Å; M161-L194 HydrophobicContact SD-CD2 3.52Å; M161-L194 VanDerWaalsContact SD-CD2 3.52Å; I164-L194 HydrophobicContact CD1-CD1 4.08Å; I164-L194 HydrophobicContact CD1-CD2 4.01Å; I187-L194 HydrophobicContact CG2-CD2 3.91Å; Y191-L194 WeakPolarHBondContact O-CB 3.5Å; Y191-L194 PolarHBondContact O-N 3.43Å; P192-L194 PolarHBondContact O-N 3.07Å; L194-L196 HydrophobicContact CB-CG 4.35Å; L194-L196 HydrophobicContact CD2-CD1 4.22Å; L194-L196 HydrophobicContact CD2-CG 4.36Å; L194-L196 PolarHBondContact O-N 2.69Å
195E80.4Confident85.3Confident57 Ų5787.8 Ų87.827%0.26641%0.41SS..  trans49.635.3175.5-152.9-173.5-155.700114.3P192 E197 R198 R199P192-E195 PolarHBondContact O-N 3.18Å; E195-E197 PolarHBondContact O-N 2.93Å; E195-R198 HydrophobicContact CG-CB 4.28Å; E195-R198 HydrophobicContact CG-CG 4.42Å; E195-R198 PolarHBondContact O-N 3.17Å; E195-R198 VanDerWaalsContact O-N 3.15Å; E195-R198 WeakPolarHBondContact OE1-CD 3.36Å; E195-R198 IonicContact OE1-CZ 2.71Å; E195-R198 IonicContact OE1-NE 3.22Å; E195-R198 IonicContact OE1-NH1 3.86Å; E195-R198 PolarHBondContact OE1-NH1 2.95Å; E195-R199 HydrophobicContact CB-CG 4.37Å; E195-R199 WeakPolarHBondContact O-CB 3.38Å; E195-R199 PolarHBondContact O-N 3.38Å; E195-R199 IonicContact OE2-CZ 3.87Å; E195-R199 IonicContact OE2-NE 2.68Å; E195-R199 PolarHBondContact OE2-NE 2.71Å; E195-R199 IonicContact OE2-NH2 2.72Å; E195-R199 PolarHBondContact OE2-NH2 2.88Å
196L81.9Confident85.1Confident2 Ų280.5 Ų80.51%0.0138%0.379CS..THydrogen-bonded Turntrans-66.3-7.3-173.5-85.9179000115.2M161 R184 I187 I188 L194 G200 L202 L203M161-L196 HydrophobicContact CE-CD1 4.05Å; M161-L196 HydrophobicContact CE-CD2 4.26Å; R184-L196 PolarHBondContact NE-O 2.95Å; R184-L196 VanDerWaalsContact NE-O 3.1Å; R184-L196 PolarHBondContact NH2-O 3.48Å; I187-L196 HydrophobicContact CB-CD1 3.69Å; I187-L196 HydrophobicContact CD1-CD1 4.2Å; I187-L196 HydrophobicContact CG2-CD1 3.37Å; I188-L196 HydrophobicContact CG1-CB 4.01Å; L194-L196 HydrophobicContact CB-CG 4.35Å; L194-L196 HydrophobicContact CD2-CD1 4.22Å; L194-L196 HydrophobicContact CD2-CG 4.36Å; L194-L196 PolarHBondContact O-N 2.69Å; L196-G200 PolarHBondContact O-N 3.01Å; L196-L202 HydrophobicContact CD2-CB 4.19Å; L196-L203 HydrophobicContact CD2-CB 3.98Å
197E79.4Confident85.1Confident150 Ų15077.7 Ų77.770%0.70137%0.368SS*.THydrogen-bonded Turntrans-65.1-58.5168-170.2147.5-109.100110.4R184 E195R184-E197 PolarHBondContact NH2-O 3.22Å; E195-E197 PolarHBondContact O-N 2.93Å
198R78.9Confident85Confident204 Ų20484.5 Ų84.577%0.7740%0.398SS*.THydrogen-bonded Turntrans-73.4-43.3173.2-58.7-172.6-178.9128.4-4.8111.8E195 G200E195-R198 HydrophobicContact CG-CB 4.28Å; E195-R198 HydrophobicContact CG-CG 4.42Å; E195-R198 PolarHBondContact O-N 3.17Å; E195-R198 VanDerWaalsContact O-N 3.15Å; E195-R198 WeakPolarHBondContact OE1-CD 3.36Å; E195-R198 IonicContact OE1-CZ 2.71Å; E195-R198 IonicContact OE1-NE 3.22Å; E195-R198 IonicContact OE1-NH1 3.86Å; E195-R198 PolarHBondContact OE1-NH1 2.95Å; R198-G200 VanDerWaalsContact C-N 3.34Å; R198-G200 PolarHBondContact O-N 3.35Å
199R81.2Confident84.9Confident121 Ų12187 Ų8746%0.45740%0.404SS..THydrogen-bonded Turntrans-92.535.9-171.2-52.8-173.3-163.7-158.53.5114.6E195 Y201 L202E195-R199 HydrophobicContact CB-CG 4.37Å; E195-R199 WeakPolarHBondContact O-CB 3.38Å; E195-R199 PolarHBondContact O-N 3.38Å; E195-R199 IonicContact OE2-CZ 3.87Å; E195-R199 IonicContact OE2-NE 2.68Å; E195-R199 PolarHBondContact OE2-NE 2.71Å; E195-R199 IonicContact OE2-NH2 2.72Å; E195-R199 PolarHBondContact OE2-NH2 2.88Å; R199-Y201 HydrophobicContact CB-CE1 3.99Å; R199-Y201 HydrophobicContact CG-CE1 4.42Å; R199-Y201 PolarHBondContact O-N 3.39Å; R199-L202 HydrophobicContact CB-CD1 3.79Å; R199-L202 HydrophobicContact CB-CG 4.27Å; R199-L202 WeakPolarHBondContact O-CB 3.48Å; R199-L202 PolarHBondContact O-N 3.27Å
200G79.8Confident84.9Confident16 Ų1679.4 Ų79.417%0.16537%0.369CS..Hα-helixtrans-58.3-16.2-175.100000115.9L196 R198 L202 K204L196-G200 PolarHBondContact O-N 3.01Å; R198-G200 VanDerWaalsContact C-N 3.34Å; R198-G200 PolarHBondContact O-N 3.35Å; G200-L202 VanDerWaalsContact C-N 3.35Å; G200-K204 PolarHBondContact O-N 3.07Å
201Y87.1Confident84.9Confident137 Ų13777.9 Ų77.954%0.53736%0.364SS..Hα-helixtrans-66.7-31.9173.770-86.5000113.1R199 L203 K204 Q205R199-Y201 HydrophobicContact CB-CE1 3.99Å; R199-Y201 HydrophobicContact CG-CE1 4.42Å; R199-Y201 PolarHBondContact O-N 3.39Å; Y201-L203 VanDerWaalsContact C-N 3.32Å; Y201-L203 PolarHBondContact O-N 3.23Å; Y201-K204 PolarHBondContact O-N 2.71Å; Y201-Q205 WeakPolarHBondContact O-CB 3.43Å; Y201-Q205 PolarHBondContact O-N 2.7Å
202L88.1Confident85Confident53 Ų5381.6 Ų81.628%0.27739%0.387SS..Hα-helixtrans-61.3-41.1179.5-66.3174.9000111.6L196 R199 G200 Q205 A206L196-L202 HydrophobicContact CD2-CB 4.19Å; R199-L202 HydrophobicContact CB-CD1 3.79Å; R199-L202 HydrophobicContact CB-CG 4.27Å; R199-L202 WeakPolarHBondContact O-CB 3.48Å; R199-L202 PolarHBondContact O-N 3.27Å; G200-L202 VanDerWaalsContact C-N 3.35Å; L202-Q205 PolarHBondContact O-N 2.76Å; L202-A206 WeakPolarHBondContact O-CB 3.44Å; L202-A206 PolarHBondContact O-N 3.28Å
203L88.7Confident85.1Confident4 Ų483.2 Ų83.22%0.02138%0.381CS..Hα-helixtrans-66.3-42.7175.4178.959.1000111.8M161 L165 V180 I183 R184 I187 L196 Y201 Q205 A206 L207M161-L203 HydrophobicContact CE-CB 3.97Å; M161-L203 HydrophobicContact CE-CD1 3.77Å; M161-L203 HydrophobicContact CE-CG 4.48Å; L165-L203 HydrophobicContact CD1-CD1 3.85Å; V180-L203 HydrophobicContact CG1-CD2 4.35Å; I183-L203 HydrophobicContact CG2-CD1 3.87Å; I183-L203 HydrophobicContact CG2-CD2 4.46Å; R184-L203 HydrophobicContact CB-CD2 3.76Å; R184-L203 HydrophobicContact CG-CD2 3.97Å; I187-L203 HydrophobicContact CD1-CD1 4.27Å; L196-L203 HydrophobicContact CD2-CB 3.98Å; Y201-L203 VanDerWaalsContact C-N 3.32Å; Y201-L203 PolarHBondContact O-N 3.23Å; L203-Q205 VanDerWaalsContact C-N 3.34Å; L203-Q205 PolarHBondContact O-N 3.11Å; L203-A206 PolarHBondContact O-N 3.23Å; L203-L207 HydrophobicContact CD1-CD1 4.12Å; L203-L207 HydrophobicContact CD1-CG 4.27Å; L203-L207 HydrophobicContact CG-CD1 4.08Å; L203-L207 WeakPolarHBondContact O-CB 3.37Å; L203-L207 WeakPolarHBondContact O-CG 3.38Å; L203-L207 PolarHBondContact O-N 2.72Å
204K88Confident85.3Confident138 Ų13879.4 Ų79.460%0.636%0.36SS*.Hα-helixtrans-61.4-41.6175.3-66.3178.1-179.2178.20111.6G200 Y201 K208 A224G200-K204 PolarHBondContact O-N 3.07Å; Y201-K204 PolarHBondContact O-N 2.71Å; K204-K208 WeakPolarHBondContact O-CB 3.16Å; K204-K208 PolarHBondContact O-N 2.72Å; K204-K208 VanDerWaalsContact O-N 3.07Å; K204-A224 HydrophobicContact CB-CB 4.42Å; K204-A224 HydrophobicContact CG-CB 4.46Å
205Q89.7Confident85.6Confident122 Ų12278.8 Ų78.857%0.5736%0.358SS*.Hα-helixtrans-68.7-43179.3-168.8179.516.200111.9Y201 L202 L203 K208 R209Y201-Q205 WeakPolarHBondContact O-CB 3.43Å; Y201-Q205 PolarHBondContact O-N 2.7Å; L202-Q205 PolarHBondContact O-N 2.76Å; L203-Q205 VanDerWaalsContact C-N 3.34Å; L203-Q205 PolarHBondContact O-N 3.11Å; Q205-K208 PolarHBondContact O-N 2.83Å; Q205-R209 PolarHBondContact O-N 2.95Å
206A88.8Confident86Confident2 Ų276.2 Ų76.22%0.01735%0.346CS..Hα-helixtrans-64.4-46.1175.800000112.1M161 L165 L202 L203 K208 R209 E210M161-A206 HydrophobicContact CB-CB 4.39Å; M161-A206 HydrophobicContact CE-CB 4.45Å; M161-A206 HydrophobicContact CG-CB 3.52Å; L165-A206 HydrophobicContact CD2-CB 3.93Å; L202-A206 WeakPolarHBondContact O-CB 3.44Å; L202-A206 PolarHBondContact O-N 3.28Å; L203-A206 PolarHBondContact O-N 3.23Å; A206-K208 VanDerWaalsContact C-N 3.33Å; A206-K208 PolarHBondContact O-N 3.1Å; A206-R209 PolarHBondContact O-N 3.19Å; A206-R209 VanDerWaalsContact O-N 3.17Å; A206-E210 WeakPolarHBondContact O-CB 3.22Å; A206-E210 PolarHBondContact O-N 2.68Å
207L89.8Confident86.4Confident2 Ų282.6 Ų82.61%0.0137%0.374CS..Hα-helixtrans-56.2-45.1173.7-79.7165.7000111.9L165 V180 L203 E210 L211 I216 F228L165-L207 HydrophobicContact CD1-CD2 3.87Å; L165-L207 HydrophobicContact CD1-CG 4.17Å; L165-L207 HydrophobicContact CD2-CD2 4.1Å; L165-L207 HydrophobicContact CD2-CG 4.15Å; V180-L207 HydrophobicContact CG1-CD1 4.29Å; V180-L207 HydrophobicContact CG2-CD1 4.17Å; L203-L207 HydrophobicContact CD1-CD1 4.12Å; L203-L207 HydrophobicContact CD1-CG 4.27Å; L203-L207 HydrophobicContact CG-CD1 4.08Å; L203-L207 WeakPolarHBondContact O-CB 3.37Å; L203-L207 WeakPolarHBondContact O-CG 3.38Å; L203-L207 PolarHBondContact O-N 2.72Å; L207-E210 PolarHBondContact O-N 2.72Å; L207-L211 VanDerWaalsContact O-CB 3.24Å; L207-L211 WeakPolarHBondContact O-CB 3.45Å; L207-L211 PolarHBondContact O-N 3.29Å; L207-I216 HydrophobicContact CD2-CD1 3.72Å; L207-F228 HydrophobicContact CD1-CE2 4.4Å; L207-F228 HydrophobicContact CD2-CD1 4.32Å; L207-F228 HydrophobicContact CD2-CD2 3.87Å; L207-F228 HydrophobicContact CD2-CE1 4.42Å; L207-F228 HydrophobicContact CD2-CE2 3.99Å; L207-F228 HydrophobicContact CD2-CG 4.05Å; L207-F228 HydrophobicContact CD2-CZ 4.26Å
208K89.2Confident86.9Confident143 Ų14378.1 Ų78.162%0.62235%0.353SS*.Hα-helixtrans-63.3-42.1176.4-170.3176.9-179.4-178.60112K204 Q205 A206 N212K204-K208 WeakPolarHBondContact O-CB 3.16Å; K204-K208 PolarHBondContact O-N 2.72Å; K204-K208 VanDerWaalsContact O-N 3.07Å; Q205-K208 PolarHBondContact O-N 2.83Å; A206-K208 VanDerWaalsContact C-N 3.33Å; A206-K208 PolarHBondContact O-N 3.1Å; K208-N212 WeakPolarHBondContact O-CB 3.46Å; K208-N212 PolarHBondContact O-N 2.8Å; K208-N212 PolarHBondContact O-OD1 3.34Å
209R88.8Confident87.4Confident110 Ų11072.5 Ų72.542%0.41534%0.341SS..Hα-helixtrans-62.7-46.4176.4174.5163.267.1-155-0.4112.1D162 Q205 A206 N212 R213D162-R209 VanDerWaalsContact CG-NH2 3.34Å; D162-R209 IonicContact OD1-CZ 3.5Å; D162-R209 VanDerWaalsContact OD1-CZ 3.22Å; D162-R209 IonicContact OD1-NE 3.23Å; D162-R209 PolarHBondContact OD1-NE 2.73Å; D162-R209 IonicContact OD1-NH2 3.28Å; D162-R209 PolarHBondContact OD1-NH2 3.18Å; D162-R209 IonicContact OD2-CZ 2.69Å; D162-R209 IonicContact OD2-NE 3.99Å; D162-R209 PolarHBondContact OD2-NE 3.28Å; D162-R209 IonicContact OD2-NH2 2.93Å; D162-R209 PolarHBondContact OD2-NH2 3.17Å; Q205-R209 PolarHBondContact O-N 2.95Å; A206-R209 PolarHBondContact O-N 3.19Å; A206-R209 VanDerWaalsContact O-N 3.17Å; R209-N212 PolarHBondContact O-N 2.84Å; R209-R213 WeakPolarHBondContact O-CG 3.34Å; R209-R213 PolarHBondContact O-N 3.37Å
210E88Confident87.6Confident13 Ų1374 Ų746%0.06135%0.351CS..Hα-helixtrans-79-26.3-171.9-14554.4-147.600112.9L165 A206 L207 R213 G214 V215 I216L165-E210 HydrophobicContact CD2-CB 4.31Å; A206-E210 WeakPolarHBondContact O-CB 3.22Å; A206-E210 PolarHBondContact O-N 2.68Å; L207-E210 PolarHBondContact O-N 2.72Å; E210-R213 IonicContact OE1-NH1 3.68Å; E210-R213 WeakPolarHBondContact OE2-CD 3.46Å; E210-R213 IonicContact OE2-CZ 3.13Å; E210-R213 IonicContact OE2-NE 2.7Å; E210-R213 IonicContact OE2-NH1 2.72Å; E210-R213 PolarHBondContact OE2-NH1 3.03Å; E210-G214 PolarHBondContact O-N 3.42Å; E210-V215 HydrophobicContact CG-CB 3.96Å; E210-V215 HydrophobicContact CG-CG1 4.07Å; E210-V215 PolarHBondContact O-N 3.08Å; E210-V215 VanDerWaalsContact O-N 3.15Å; E210-V215 WeakPolarHBondContact OE1-CB 3.42Å; E210-V215 WeakPolarHBondContact OE1-CG1 3.45Å; E210-V215 WeakPolarHBondContact OE1-CG2 3.48Å; E210-I216 HydrophobicContact CB-CD1 4.13Å; E210-I216 HydrophobicContact CB-CG1 4.15Å; E210-I216 HydrophobicContact CG-CG2 4.3Å; E210-I216 PolarHBondContact O-N 2.86Å
211L89.6Confident87.8Confident59 Ų5975.9 Ų75.931%0.30937%0.37SS..Hα-helixtrans-69.8-44.5167.1-176141000111.2L207 R213 G214 I216 Q218 F228L207-L211 VanDerWaalsContact O-CB 3.24Å; L207-L211 WeakPolarHBondContact O-CB 3.45Å; L207-L211 PolarHBondContact O-N 3.29Å; L211-R213 PolarHBondContact O-N 3.19Å; L211-G214 PolarHBondContact O-N 2.87Å; L211-I216 HydrophobicContact CB-CD1 4.42Å; L211-I216 HydrophobicContact CB-CG1 4.1Å; L211-Q218 HydrophobicContact CD1-CB 3.85Å; L211-F228 HydrophobicContact CD1-CD1 4.42Å; L211-F228 HydrophobicContact CD1-CE1 3.84Å
212N87Confident87.4Confident124 Ų12478.6 Ų78.666%0.66339%0.385SS*.Hα-helixtrans-61.3-30.6173.9-74.88.4000112.7K208 R209 G214K208-N212 WeakPolarHBondContact O-CB 3.46Å; K208-N212 PolarHBondContact O-N 2.8Å; K208-N212 PolarHBondContact O-OD1 3.34Å; R209-N212 PolarHBondContact O-N 2.84Å; N212-G214 VanDerWaalsContact C-N 3.27Å; N212-G214 PolarHBondContact O-N 3.04Å
213R84.3Confident86.9Confident130 Ų13078.2 Ų78.249%0.49139%0.394SS..THydrogen-bonded Turntrans-75.6-8172.6-78169.2160.2168.6-3.8114.6D162 R209 E210 L211 V215D162-R213 VanDerWaalsContact CG-NH1 3.31Å; D162-R213 IonicContact OD1-NH1 3.73Å; D162-R213 IonicContact OD2-CZ 2.66Å; D162-R213 IonicContact OD2-NH1 3.65Å; D162-R213 PolarHBondContact OD2-NH1 3.32Å; D162-R213 IonicContact OD2-NH2 2.66Å; R209-R213 WeakPolarHBondContact O-CG 3.34Å; R209-R213 PolarHBondContact O-N 3.37Å; E210-R213 IonicContact OE1-NH1 3.68Å; E210-R213 WeakPolarHBondContact OE2-CD 3.46Å; E210-R213 IonicContact OE2-CZ 3.13Å; E210-R213 IonicContact OE2-NE 2.7Å; E210-R213 IonicContact OE2-NH1 2.72Å; E210-R213 PolarHBondContact OE2-NH1 3.03Å; L211-R213 PolarHBondContact O-N 3.19Å; R213-V215 HydrophobicContact CB-CG2 4.1Å; R213-V215 PolarHBondContact O-N 3.22Å
214G83.9Confident86.2Confident35 Ų3580.1 Ų80.136%0.36141%0.41SS..THydrogen-bonded Turntrans59.426.4-174.200000113.8E210 L211 N212 K233E210-G214 PolarHBondContact O-N 3.42Å; L211-G214 PolarHBondContact O-N 2.87Å; N212-G214 VanDerWaalsContact C-N 3.27Å; N212-G214 PolarHBondContact O-N 3.04Å; G214-K233 WeakPolarHBondContact O-CE 3.46Å
215V86Confident85.9Confident33 Ų3377.8 Ų77.820%0.241%0.411CS..SBendtrans-90-27.6174.9171.20000110.6E210 R213 V231E210-V215 HydrophobicContact CG-CB 3.96Å; E210-V215 HydrophobicContact CG-CG1 4.07Å; E210-V215 PolarHBondContact O-N 3.08Å; E210-V215 VanDerWaalsContact O-N 3.15Å; E210-V215 WeakPolarHBondContact OE1-CB 3.42Å; E210-V215 WeakPolarHBondContact OE1-CG1 3.45Å; E210-V215 WeakPolarHBondContact OE1-CG2 3.48Å; R213-V215 HydrophobicContact CB-CG2 4.1Å; R213-V215 PolarHBondContact O-N 3.22Å; V215-V231 WeakPolarHBondContact O-CB 3.36Å; V215-V231 PolarHBondContact O-N 3.1Å
216I88.8Confident85.7Confident2 Ų272.7 Ų72.71%0.0139%0.391CS..EExtended strand (participates in β ladder)trans-116.2146.3165.166.1175.9000110.5I169 L207 E210 L211 F228 V229 V230I169-I216 HydrophobicContact CD1-CD1 4.28Å; I169-I216 HydrophobicContact CD1-CG2 3.73Å; L207-I216 HydrophobicContact CD2-CD1 3.72Å; E210-I216 HydrophobicContact CB-CD1 4.13Å; E210-I216 HydrophobicContact CB-CG1 4.15Å; E210-I216 HydrophobicContact CG-CG2 4.3Å; E210-I216 PolarHBondContact O-N 2.86Å; L211-I216 HydrophobicContact CB-CD1 4.42Å; L211-I216 HydrophobicContact CB-CG1 4.1Å; I216-F228 HydrophobicContact CD1-CB 4.41Å; I216-F228 HydrophobicContact CD1-CD1 3.82Å; I216-F228 HydrophobicContact CD1-CE1 4.46Å; I216-F228 HydrophobicContact CD1-CG 4.27Å; I216-F228 HydrophobicContact CG1-CD1 4.39Å; I216-V229 CarbonylContact C-O 3.56Å; I216-V229 VanDerWaalsContact CA-O 3.3Å; I216-V229 WeakPolarHBondContact CA-O 3.36Å; I216-V230 HydrophobicContact CG2-CG2 4.34Å
217K89.8Confident85.8Confident137 Ų13773.3 Ų73.360%0.59640%0.396SS*.EExtended strand (participates in β ladder)trans-109.8139.6168.5-83.6173-173.5-178.40109.8F228 V229 V231K217-F228 WeakPolarHBondContact O-CA 3.49Å; K217-V229 PolarHBondContact N-O 3.48Å; K217-V229 PolarHBondContact O-N 3.14Å; K217-V231 HydrophobicContact CB-CG2 4.07Å; K217-V231 HydrophobicContact CD-CG2 3.75Å; K217-V231 HydrophobicContact CG-CG2 3.53Å
218Q90.6Very high85.9Confident55 Ų5573.3 Ų73.326%0.25740%0.396SS..EExtended strand (participates in β ladder)trans-80.8121.6168.2-176.4158.637.900108.8L211 K220 G221 G223 S225 F228L211-Q218 HydrophobicContact CD1-CB 3.85Å; Q218-K220 WeakPolarHBondContact CG-O 3.29Å; Q218-G221 VanDerWaalsContact NE2-C 3.33Å; Q218-G223 PolarHBondContact NE2-O 2.91Å; Q218-G223 PolarHBondContact OE1-O 2.99Å; Q218-S225 PolarHBondContact NE2-O 2.98Å; Q218-F228 HydrophobicContact CB-CD1 4.13Å; Q218-F228 HydrophobicContact CB-CE1 3.87Å; Q218-F228 HydrophobicContact CG-CE1 4.08Å; Q218-F228 HydrophobicContact CG-CZ 4.47Å
219V88.8Confident85.9Confident87 Ų8768.2 Ų68.253%0.52738%0.377SS..EExtended strand (participates in β ladder)trans-94.6-31.8178.5175.60000111.2S227 V229V219-S227 PolarHBondContact N-O 2.84Å; V219-V229 HydrophobicContact CG2-CB 4.18Å; V219-V229 HydrophobicContact CG2-CG2 3.55Å
220K85.1Confident86Confident151 Ų15164.3 Ų64.366%0.65737%0.365SS*.EExtended strand (participates in β ladder)trans-143.8148.5178.9-170.4172.1-178.1177.40109.8Q218 G226 S227Q218-K220 WeakPolarHBondContact CG-O 3.29Å; K220-G226 CarbonylContact O-C 3.54Å; K220-G226 WeakPolarHBondContact O-CA 3.4Å; K220-S227 PolarHBondContact O-N 3.48Å
221G84.9Confident85.9Confident56 Ų5665.4 Ų65.458%0.57737%0.372SS*.EExtended strand (participates in β ladder)trans89-173.9-179.200000113.7Q218 S225Q218-G221 VanDerWaalsContact NE2-C 3.33Å; G221-S225 WeakPolarHBondContact CA-O 3.47Å
222K78.7Confident85.1Confident194 Ų19470.9 Ų70.984%0.84340%0.396SS*.EExtended strand (participates in β ladder)trans-140.4131.6-178.3-170.5175.8-178.3179.90109.7S225K222-S225 PolarHBondContact N-O 3.29Å
223G77.2Confident83.5Confident45 Ų4571.6 Ų71.646%0.46439%0.393SS..THydrogen-bonded Turntrans67.6-143.6-177.900000112Q218 S225Q218-G223 PolarHBondContact NE2-O 2.91Å; Q218-G223 PolarHBondContact OE1-O 2.99Å; G223-S225 PolarHBondContact O-N 2.9Å; G223-S225 VanDerWaalsContact O-N 3.15Å
224A73.8Confident81.5Confident44 Ų4469.3 Ų69.336%0.36440%0.398SS..THydrogen-bonded Turntrans-72.9-1.4-175.300000115.2V180 K204V180-A224 WeakPolarHBondContact CG2-O 3.19Å; K204-A224 HydrophobicContact CB-CB 4.42Å; K204-A224 HydrophobicContact CG-CB 4.46Å
225S80.6Confident79.5Confident89 Ų8979.8 Ų79.862%0.62243%0.426SS*.EExtended strand (participates in β ladder)trans-107.1124.3175.7-174.40000110.6Q218 G221 K222 G223Q218-S225 PolarHBondContact NE2-O 2.98Å; G221-S225 WeakPolarHBondContact CA-O 3.47Å; K222-S225 PolarHBondContact N-O 3.29Å; G223-S225 PolarHBondContact O-N 2.9Å; G223-S225 VanDerWaalsContact O-N 3.15Å
226G87.1Confident77.3Confident15 Ų1587.1 Ų87.116%0.15546%0.455CS..EExtended strand (participates in β ladder)trans160.1-162.3-178.100000116.4S179 V180 K220S179-G226 WeakPolarHBondContact CA-O 3.29Å; V180-G226 PolarHBondContact N-O 3.06Å; K220-G226 CarbonylContact O-C 3.54Å; K220-G226 WeakPolarHBondContact O-CA 3.4Å
227S89.1Confident74.8Confident15 Ų1592.6 Ų92.611%0.10549%0.489CS..EExtended strand (participates in β ladder)trans-115.9134.3170.4-61.40000110S176 A178 V219 K220S176-S227 WeakPolarHBondContact O-CB 3.19Å; A178-S227 CarbonylContact O-C 3.56Å; A178-S227 WeakPolarHBondContact O-CA 3.3Å; V219-S227 PolarHBondContact N-O 2.84Å; K220-S227 PolarHBondContact O-N 3.48Å
228F91.8Very high72.4Confident2 Ų292.3 Ų92.31%0.00950%0.501CS..EExtended strand (participates in β ladder)trans-122.6148.5-171.1-61.4-86.6000111.7I169 G177 A178 V180 I183 L207 L211 I216 K217 Q218I169-F228 HydrophobicContact CD1-CB 4.19Å; G177-F228 CarbonylContact C-O 3.58Å; G177-F228 WeakPolarHBondContact CA-O 3.28Å; A178-F228 PolarHBondContact N-O 2.96Å; A178-F228 PolarHBondContact O-N 3.48Å; V180-F228 HydrophobicContact CG2-CD2 4.33Å; V180-F228 HydrophobicContact CG2-CE2 3.67Å; I183-F228 HydrophobicContact CD1-CD2 4.49Å; L207-F228 HydrophobicContact CD1-CE2 4.4Å; L207-F228 HydrophobicContact CD2-CD1 4.32Å; L207-F228 HydrophobicContact CD2-CD2 3.87Å; L207-F228 HydrophobicContact CD2-CE1 4.42Å; L207-F228 HydrophobicContact CD2-CE2 3.99Å; L207-F228 HydrophobicContact CD2-CG 4.05Å; L207-F228 HydrophobicContact CD2-CZ 4.26Å; L211-F228 HydrophobicContact CD1-CD1 4.42Å; L211-F228 HydrophobicContact CD1-CE1 3.84Å; I216-F228 HydrophobicContact CD1-CB 4.41Å; I216-F228 HydrophobicContact CD1-CD1 3.82Å; I216-F228 HydrophobicContact CD1-CE1 4.46Å; I216-F228 HydrophobicContact CD1-CG 4.27Å; I216-F228 HydrophobicContact CG1-CD1 4.39Å; K217-F228 WeakPolarHBondContact O-CA 3.49Å; Q218-F228 HydrophobicContact CB-CD1 4.13Å; Q218-F228 HydrophobicContact CB-CE1 3.87Å; Q218-F228 HydrophobicContact CG-CE1 4.08Å; Q218-F228 HydrophobicContact CG-CZ 4.47Å
229V91Very high70.2Confident37 Ų3798.7 Ų98.722%0.22453%0.531CS..EExtended strand (participates in β ladder)trans-132.4132.6177.5175.70000109.1F173 G177 I216 K217 V219 V231F173-V229 HydrophobicContact CD2-CG2 4.42Å; F173-V229 HydrophobicContact CE2-CB 4.47Å; F173-V229 HydrophobicContact CE2-CG1 3.9Å; F173-V229 HydrophobicContact CE2-CG2 3.83Å; G177-V229 VanDerWaalsContact CA-CG2 3.45Å; I216-V229 CarbonylContact C-O 3.56Å; I216-V229 VanDerWaalsContact CA-O 3.3Å; I216-V229 WeakPolarHBondContact CA-O 3.36Å; K217-V229 PolarHBondContact N-O 3.48Å; K217-V229 PolarHBondContact O-N 3.14Å; V219-V229 HydrophobicContact CG2-CB 4.18Å; V219-V229 HydrophobicContact CG2-CG2 3.55Å; V229-V231 PolarHBondContact O-N 3.15Å
230V90.8Very high67.9Low27 Ų27104.3 Ų104.316%0.16455%0.548CS..EExtended strand (participates in β ladder)trans-64.8122.1170.9176.60000108.8T166 I169 K170 I216 Q232T166-V230 HydrophobicContact CG2-CG1 4.36Å; T166-V230 HydrophobicContact CG2-CG2 4Å; I169-V230 HydrophobicContact CB-CG2 3.98Å; I169-V230 HydrophobicContact CG2-CG2 3.73Å; K170-V230 HydrophobicContact CG-CG2 4.39Å; I216-V230 HydrophobicContact CG2-CG2 4.34Å; V230-Q232 PolarHBondContact O-N 2.99Å
231V85.9Confident65.8Low36 Ų36103 Ų10322%0.21856%0.558CS.*  trans-70.6100.5169.9-174.10000107.4V215 K217 V229 K233V215-V231 WeakPolarHBondContact O-CB 3.36Å; V215-V231 PolarHBondContact O-N 3.1Å; K217-V231 HydrophobicContact CB-CG2 4.07Å; K217-V231 HydrophobicContact CD-CG2 3.75Å; K217-V231 HydrophobicContact CG-CG2 3.53Å; V229-V231 PolarHBondContact O-N 3.15Å; V231-K233 HydrophobicContact CG1-CG 4.34Å; V231-K233 PolarHBondContact O-N 3.3Å
232Q71.6Confident63.9Low174 Ų174112.2 Ų112.281%0.81358%0.575SS**  trans-59.4101.4164-73.8-179.6-30.500108.2V230 S234V230-Q232 PolarHBondContact O-N 2.99Å; Q232-S234 PolarHBondContact O-N 2.84Å
233K53.2Low62Low139 Ų139109.8 Ų109.860%0.60457%0.572SS**  trans-73.659.7175-70.4-177178.4177.20110.7G214 V231G214-K233 WeakPolarHBondContact O-CE 3.46Å; V231-K233 HydrophobicContact CG1-CG 4.34Å; V231-K233 PolarHBondContact O-N 3.3Å
234S42.6Very low60.2Low83 Ų83119.4 Ų119.458%0.5859%0.594SS**  trans-51.6138.5151.563.40000107.9Q232 K236Q232-S234 PolarHBondContact O-N 2.84Å; S234-K236 PolarHBondContact O-N 2.92Å
235R42.2Very low59Low254 Ų254126.4 Ų126.496%0.95862%0.616SS**SBendtrans-69.675.2-170.4-62.4179.2-176.2170.90.7111.6
236K39Very low57Low187 Ų187130.1 Ų130.181%0.81363%0.629SS**  trans-121.1101.3175.6-70.1-170.2175.7-177.10110S234S234-K236 PolarHBondContact O-N 2.92Å
237T36.8Very low55.2Low118 Ų118140.9 Ų140.972%0.72467%0.665SS**  trans-65.7153.3170.4440000110.9Q239T237-Q239 PolarHBondContact O-N 2.78Å
238P40.7Very low52.8Low130 Ų130145.8 Ų145.884%0.84470%0.699SS**  trans-70.5110.3174.228.8-33.1000110K240P238-K240 PolarHBondContact O-N 2.81Å
239Q42.8Very low50.2Low190 Ų190150.6 Ų150.689%0.88873%0.733SS**  trans-75.9112.1175.1-76.5-156.6-15.100111.8T237T237-Q239 PolarHBondContact O-N 2.78Å
240K41.6Very low47.9Very low205 Ų205153.9 Ų153.989%0.89176%0.764SS**  trans-155.664.8149.7-155.2-179.2-179.9-179.30115P238P238-K240 PolarHBondContact O-N 2.81Å
241S39.5Very low45.4Very low122 Ų122158.4 Ų158.485%0.85379%0.791SS**  trans-155.5116.8148.549.70000111.1
242R45.8Very low42.9Very low250 Ų250163.4 Ų163.494%0.94382%0.817SS**  trans-94.396.5175.6180-167.577.3163.92.3109
243N38.8Very low41.7Very low143 Ų143160.1 Ų160.177%0.76581%0.811SS**  trans174.6102.4135.6-174.217.9000112.7
244R38.8Very low41.2Very low248 Ų248161 Ų16194%0.93682%0.817SS**  -157.6120.7126.8-132.9171.4179.9156.4-0.1110.2
245K49.3Very low41.5Very low191 Ų191162.3 Ų162.383%0.8382%0.824SS**  trans-88.4114.5174.7-171.6-177.1-175.2-173.50107.6
246N39Very low42.1Very low167 Ų167159 Ų15989%0.89382%0.819SS**  trans-168157.4142.8-95.5-1.5000109.2
247R50Low43.7Very low241 Ų241154.2 Ų154.291%0.90981%0.805SS**  trans-141.6163.2-164.5-178.4-177.9178.8-159.10.1108.6
248S38.3Very low46Very low117 Ų117154.2 Ų154.282%0.81880%0.795SS**  trans90.3143.7-171.5890000112.7
249S37.4Very low48.2Very low103 Ų103148.8 Ų148.872%0.7276%0.759SS**  cis-130.3155.2-13.250.20000109.8V251S249-V251 PolarHBondContact O-N 3.43Å
250A42.5Very low50.3Low107 Ų107141.5 Ų141.588%0.88473%0.725SS**  trans-93.490.5175.700000109.2
251V38.6Very low52.5Low121 Ų121134.1 Ų134.173%0.73370%0.695SS**  trans-83.1141.2152.4-173.30000106.4S249S249-V251 PolarHBondContact O-N 3.43Å
252D33.1Very low54.9Low142 Ų142128.9 Ų128.976%0.75966%0.658SS**  trans-60.2125.7172.8-156.1-30.3000108E254D252-E254 VanDerWaalsContact C-N 3.35Å; D252-E254 PolarHBondContact O-N 2.95Å
253P44.9Very low57.1Low104 Ų104117.1 Ų117.168%0.67561%0.614SS**  trans-67.494.2-176.526.3-36.7000111
254E42.6Very low59.6Low157 Ų157110.3 Ų110.373%0.73458%0.577SS**  trans-39.1126.7156.2-173.6-170.1-173.700107.8D252 Q256D252-E254 VanDerWaalsContact C-N 3.35Å; D252-E254 PolarHBondContact O-N 2.95Å; E254-Q256 VanDerWaalsContact C-N 3.33Å; E254-Q256 PolarHBondContact O-N 2.68Å
255P49.9Very low62.1Low111 Ų111100.2 Ų100.272%0.72154%0.542SS*.  trans-70.189.2-163.426.9-35.9000110.8V257P255-V257 WeakPolarHBondContact O-CA 3.19Å; P255-V257 PolarHBondContact O-N 3.08Å
256Q55.7Low64.2Low185 Ų18591.1 Ų91.186%0.86450%0.502SS*.  trans-32.596.1-171.2-71.4-173.7-16.800112.2E254 K258E254-Q256 VanDerWaalsContact C-N 3.33Å; E254-Q256 PolarHBondContact O-N 2.68Å; Q256-K258 PolarHBondContact O-N 2.67Å; Q256-K258 VanDerWaalsContact O-N 3.1Å
257V71.6Confident66.7Low86 Ų8683.1 Ų83.152%0.52146%0.46SS..  trans-67.8116.7-169-168.20000107.5P255 L259 D261 V262P255-V257 WeakPolarHBondContact O-CA 3.19Å; P255-V257 PolarHBondContact O-N 3.08Å; V257-L259 PolarHBondContact O-N 3.19Å; V257-D261 HydrophobicContact CG1-CB 4.4Å; V257-V262 HydrophobicContact CB-CG2 4.22Å; V257-V262 HydrophobicContact CG1-CG2 3.62Å
258K85.1Confident68.7Low119 Ų11971.7 Ų71.752%0.51742%0.417SS..  trans-65.6138.5-179.1-55.4-175.3-128.276.80107.7Q256 E260 D261 V262Q256-K258 PolarHBondContact O-N 2.67Å; Q256-K258 VanDerWaalsContact O-N 3.1Å; K258-E260 HydrophobicContact CB-CB 4.31Å; K258-E260 PolarHBondContact O-N 3.32Å; K258-D261 WeakPolarHBondContact CB-OD2 3.31Å; K258-D261 IonicContact NZ-OD2 3.98Å; K258-D261 PolarHBondContact NZ-OD2 2.66Å; K258-D261 WeakPolarHBondContact O-CA 3.47Å; K258-D261 WeakPolarHBondContact O-CB 3.18Å; K258-D261 PolarHBondContact O-N 2.79Å; K258-V262 PolarHBondContact O-N 3.08Å
259L86.7Confident71.1Confident16 Ų1671 Ų718%0.08440%0.396CS..Hα-helixtrans-56.1-27.6176.4-168.557.3000112.2V257 D261 V262 L263 V368 L383 L384 T387V257-L259 PolarHBondContact O-N 3.19Å; L259-D261 VanDerWaalsContact C-N 3.29Å; L259-D261 PolarHBondContact O-N 2.66Å; L259-V262 HydrophobicContact CD1-CB 4.33Å; L259-V262 HydrophobicContact CD1-CG1 4.47Å; L259-V262 PolarHBondContact O-N 3.08Å; L259-L263 VanDerWaalsContact O-CG 3.3Å; L259-L263 WeakPolarHBondContact O-CG 3.23Å; L259-L263 PolarHBondContact O-N 2.92Å; L259-L263 VanDerWaalsContact O-N 3.08Å; L259-V368 HydrophobicContact CD1-CG1 4.31Å; L259-V368 HydrophobicContact CD1-CG2 3.85Å; L259-L383 HydrophobicContact CD2-CD2 4.44Å; L259-L383 HydrophobicContact CD2-CG 4.07Å; L259-L384 HydrophobicContact CD2-CB 3.93Å; L259-L384 HydrophobicContact CD2-CD1 4.09Å; L259-T387 HydrophobicContact CB-CG2 4.18Å; L259-T387 HydrophobicContact CG-CG2 4.19Å
260E87.2Confident73.6Confident36 Ų3668.3 Ų68.317%0.16837%0.373CS..Hα-helixtrans-57.4-34.7170.1-64.7174.8-137.900114.4K258 T387 K390 W396K258-E260 HydrophobicContact CB-CB 4.31Å; K258-E260 PolarHBondContact O-N 3.32Å; E260-T387 HydrophobicContact CB-CG2 4.4Å; E260-T387 HydrophobicContact CG-CG2 3.71Å; E260-K390 HydrophobicContact CG-CD 4.46Å; E260-K390 WeakPolarHBondContact OE1-CD 3.42Å; E260-K390 IonicContact OE1-NZ 3.84Å; E260-K390 PolarHBondContact OE1-NZ 3.01Å; E260-K390 IonicContact OE2-NZ 2.74Å; E260-K390 PolarHBondContact OE2-NZ 3.4Å; E260-W396 HydrophobicContact CB-CZ3 4.43Å
261D88.1Confident75.9Confident50 Ų5063.4 Ų63.427%0.26733%0.332SS..Hα-helixtrans-91.4-21.5-179-59.4-53.6000111.5V257 K258 L259V257-D261 HydrophobicContact CG1-CB 4.4Å; K258-D261 WeakPolarHBondContact CB-OD2 3.31Å; K258-D261 IonicContact NZ-OD2 3.98Å; K258-D261 PolarHBondContact NZ-OD2 2.66Å; K258-D261 WeakPolarHBondContact O-CA 3.47Å; K258-D261 WeakPolarHBondContact O-CB 3.18Å; K258-D261 PolarHBondContact O-N 2.79Å; L259-D261 VanDerWaalsContact C-N 3.29Å; L259-D261 PolarHBondContact O-N 2.66Å
262V89.3Confident78.1Confident12 Ų1262.9 Ų62.97%0.07332%0.322CS..Hα-helixtrans-76.9-41174.4174.60000112.6V257 K258 L259 L265 A266 Y367 H372V257-V262 HydrophobicContact CB-CG2 4.22Å; V257-V262 HydrophobicContact CG1-CG2 3.62Å; K258-V262 PolarHBondContact O-N 3.08Å; L259-V262 HydrophobicContact CD1-CB 4.33Å; L259-V262 HydrophobicContact CD1-CG1 4.47Å; L259-V262 PolarHBondContact O-N 3.08Å; V262-L265 WeakPolarHBondContact O-CB 3.27Å; V262-L265 PolarHBondContact O-N 2.86Å; V262-A266 PolarHBondContact O-N 2.97Å; V262-A266 VanDerWaalsContact O-N 3.08Å; V262-Y367 HydrophobicContact CG1-CE1 4.17Å; V262-H372 VanDerWaalsContact CG1-NE2 3.29Å; V262-H372 WeakPolarHBondContact CG1-NE2 3.07Å
263L91.9Very high80.7Confident3 Ų359.3 Ų59.32%0.01631%0.307CS..Hα-helixtrans-49.7-42.3-171.7-82.1167.5000115L259 L265 A266 F267 L364 L384 T387 L388 M397L259-L263 VanDerWaalsContact O-CG 3.3Å; L259-L263 WeakPolarHBondContact O-CG 3.23Å; L259-L263 PolarHBondContact O-N 2.92Å; L259-L263 VanDerWaalsContact O-N 3.08Å; L263-L265 VanDerWaalsContact C-N 3.3Å; L263-L265 PolarHBondContact O-N 3.36Å; L263-A266 PolarHBondContact O-N 3.02Å; L263-F267 HydrophobicContact CD2-CE2 4.21Å; L263-F267 WeakPolarHBondContact O-CD2 3.36Å; L263-F267 PolarHBondContact O-N 3.25Å; L263-L364 HydrophobicContact CD2-CD2 4.04Å; L263-L384 HydrophobicContact CD2-CD1 4.01Å; L263-T387 HydrophobicContact CD1-CG2 3.47Å; L263-T387 VanDerWaalsContact CD1-CG2 3.47Å; L263-L388 HydrophobicContact CD1-CD2 3.82Å; L263-L388 HydrophobicContact CD2-CD2 3.97Å; L263-M397 HydrophobicContact CD1-SD 4.12Å
264P92.1Very high82.9Confident0 Ų056.3 Ų56.30%028%0.283CS..Hα-helixtrans-61.4-36.8178.8-22.234000113.2W136 T268 L411 Y415W136-P264 HydrophobicContact CB-CG 4.3Å; W136-P264 HydrophobicContact CD2-CB 4Å; W136-P264 HydrophobicContact CD2-CG 3.28Å; W136-P264 HydrophobicContact CE3-CB 3.96Å; W136-P264 HydrophobicContact CE3-CG 3.75Å; W136-P264 HydrophobicContact CG-CB 4.39Å; W136-P264 HydrophobicContact CG-CG 3.54Å; W136-P264 HydrophobicContact CH2-CG 4.24Å; W136-P264 HydrophobicContact CZ2-CG 3.81Å; W136-P264 HydrophobicContact CZ3-CB 4.32Å; W136-P264 HydrophobicContact CZ3-CG 4.21Å; P264-T268 WeakPolarHBondContact O-CB 3.46Å; P264-T268 PolarHBondContact O-N 2.81Å; P264-T268 PolarHBondContact O-OG1 3.21Å; P264-L411 HydrophobicContact CB-CD1 4.3Å; P264-Y415 VanDerWaalsContact C-CE1 3.45Å; P264-Y415 HydrophobicContact CB-CD1 3.46Å; P264-Y415 VanDerWaalsContact CB-CD1 3.46Å; P264-Y415 HydrophobicContact CB-CD2 4.08Å; P264-Y415 HydrophobicContact CB-CE1 3.59Å; P264-Y415 HydrophobicContact CB-CE2 4.18Å; P264-Y415 HydrophobicContact CB-CG 3.72Å; P264-Y415 WeakPolarHBondContact O-CD1 3.3Å
265L91.9Very high85.2Confident36 Ų3651.3 Ų51.319%0.18826%0.26CS..Hα-helixtrans-71.6-43.5175.9-176.259.2000110.9V262 L263 F267 T268 R269 Y415 V421 L422V262-L265 WeakPolarHBondContact O-CB 3.27Å; V262-L265 PolarHBondContact O-N 2.86Å; L263-L265 VanDerWaalsContact C-N 3.3Å; L263-L265 PolarHBondContact O-N 3.36Å; L265-F267 VanDerWaalsContact C-N 3.33Å; L265-F267 PolarHBondContact O-N 2.83Å; L265-T268 WeakPolarHBondContact O-CB 3.35Å; L265-T268 PolarHBondContact O-N 3.12Å; L265-R269 WeakPolarHBondContact O-CG 3.44Å; L265-R269 PolarHBondContact O-N 3.1Å; L265-Y415 HydrophobicContact CB-CE1 4.39Å; L265-V421 HydrophobicContact CD1-CG1 4.35Å; L265-V421 HydrophobicContact CD2-CG1 4.28Å; L265-L422 HydrophobicContact CD1-CD2 4.25Å
266A91.4Very high87.3Confident0 Ų046.2 Ų46.20%023%0.227CC..Hα-helixtrans-56-47173.500000111.3V262 L263 T268 R269 L270 L364 Y367V262-A266 PolarHBondContact O-N 2.97Å; V262-A266 VanDerWaalsContact O-N 3.08Å; L263-A266 PolarHBondContact O-N 3.02Å; A266-T268 VanDerWaalsContact C-N 3.33Å; A266-T268 PolarHBondContact O-N 3.36Å; A266-R269 PolarHBondContact O-N 2.98Å; A266-L270 HydrophobicContact CB-CD1 4.38Å; A266-L270 VanDerWaalsContact O-CB 3.26Å; A266-L270 WeakPolarHBondContact O-CB 3.31Å; A266-L270 WeakPolarHBondContact O-CD1 3.3Å; A266-L270 WeakPolarHBondContact O-CG 3.26Å; A266-L270 PolarHBondContact O-N 3.47Å; A266-L364 HydrophobicContact CB-CD2 4.2Å; A266-Y367 HydrophobicContact CB-CD1 3.61Å; A266-Y367 HydrophobicContact CB-CD2 4.49Å; A266-Y367 HydrophobicContact CB-CE1 3.51Å; A266-Y367 HydrophobicContact CB-CE2 4.38Å; A266-Y367 HydrophobicContact CB-CG 4.14Å
267F92.5Very high89Confident0 Ų038.9 Ų38.90%020%0.196CC..Hα-helixtrans-59.1-41.3173.6-90.1-114.7000112.5L263 L265 R269 L270 C271 K357 C359 L364 M397 F409 L411L263-F267 HydrophobicContact CD2-CE2 4.21Å; L263-F267 WeakPolarHBondContact O-CD2 3.36Å; L263-F267 PolarHBondContact O-N 3.25Å; L265-F267 VanDerWaalsContact C-N 3.33Å; L265-F267 PolarHBondContact O-N 2.83Å; F267-R269 VanDerWaalsContact C-N 3.34Å; F267-R269 PolarHBondContact O-N 3.42Å; F267-L270 PolarHBondContact O-N 3.04Å; F267-C271 WeakPolarHBondContact O-CB 3.41Å; F267-C271 PolarHBondContact O-N 2.81Å; F267-K357 WeakPolarHBondContact CD1-O 3.36Å; F267-C359 HydrophobicContact CD1-CB 3.72Å; F267-C359 HydrophobicContact CD2-CB 4.11Å; F267-C359 HydrophobicContact CE1-CB 3.65Å; F267-C359 HydrophobicContact CE2-CB 4.05Å; F267-C359 HydrophobicContact CG-CB 3.97Å; F267-C359 HydrophobicContact CZ-CB 3.8Å; F267-L364 HydrophobicContact CD2-CD2 3.72Å; F267-L364 HydrophobicContact CE2-CD1 3.57Å; F267-L364 HydrophobicContact CE2-CD2 3.54Å; F267-L364 HydrophobicContact CE2-CG 4.14Å; F267-L364 HydrophobicContact CZ-CD1 3.95Å; F267-M397 HydrophobicContact CD2-CE 4.39Å; F267-M397 HydrophobicContact CE1-CE 4.07Å; F267-M397 HydrophobicContact CE2-CE 3.38Å; F267-M397 HydrophobicContact CZ-CE 3.18Å; F267-F409 HydrophobicContact CE1-CB 4.26Å; F267-F409 WeakPolarHBondContact CE1-O 3.5Å; F267-F409 HydrophobicContact CZ-CB 3.77Å; F267-L411 HydrophobicContact CB-CD1 4.01Å; F267-L411 HydrophobicContact CB-CD2 4.29Å; F267-L411 HydrophobicContact CB-CG 4.16Å; F267-L411 HydrophobicContact CD1-CD1 4.45Å; F267-L411 HydrophobicContact CD1-CD2 3.73Å; F267-L411 HydrophobicContact CD1-CG 3.69Å; F267-L411 HydrophobicContact CD2-CD2 4.19Å; F267-L411 HydrophobicContact CE1-CD2 4.04Å; F267-L411 HydrophobicContact CE1-CG 4.29Å; F267-L411 HydrophobicContact CE2-CD2 4.47Å; F267-L411 HydrophobicContact CG-CD1 4.38Å; F267-L411 HydrophobicContact CG-CD2 3.81Å; F267-L411 HydrophobicContact CG-CG 4Å; F267-L411 HydrophobicContact CZ-CD2 4.41Å
268T91.8Very high90.1Very high1 Ų136.1 Ų36.11%0.00618%0.177CC..Hα-helixtrans-66.2-37.7179-53.50000111.8P264 L265 A266 K274 A351 K357 Y415 P417 L422P264-T268 WeakPolarHBondContact O-CB 3.46Å; P264-T268 PolarHBondContact O-N 2.81Å; P264-T268 PolarHBondContact O-OG1 3.21Å; L265-T268 WeakPolarHBondContact O-CB 3.35Å; L265-T268 PolarHBondContact O-N 3.12Å; A266-T268 VanDerWaalsContact C-N 3.33Å; A266-T268 PolarHBondContact O-N 3.36Å; T268-K274 PolarHBondContact O-NZ 3.08Å; T268-A351 WeakPolarHBondContact CG2-O 3.3Å; T268-K357 VanDerWaalsContact OG1-CE 3.24Å; T268-K357 WeakPolarHBondContact OG1-CE 3.48Å; T268-Y415 WeakPolarHBondContact OG1-CD1 3.47Å; T268-P417 HydrophobicContact CG2-CG 3.98Å; T268-L422 HydrophobicContact CG2-CD2 3.66Å
269R89.5Confident90.4Very high102 Ų10234 Ų3439%0.38518%0.177SC..Hα-helixtrans-71.1-43.2174.1-65.6-49-148.3119.29.4112.7L265 A266 F267 K274 Y367 L422L265-R269 WeakPolarHBondContact O-CG 3.44Å; L265-R269 PolarHBondContact O-N 3.1Å; A266-R269 PolarHBondContact O-N 2.98Å; F267-R269 VanDerWaalsContact C-N 3.34Å; F267-R269 PolarHBondContact O-N 3.42Å; R269-K274 PolarHBondContact O-NZ 3.32Å; R269-Y367 HydrophobicContact CB-CE2 4.13Å; R269-Y367 HydrophobicContact CG-CE2 4.3Å; R269-L422 PolarHBondContact NE-O 2.91Å; R269-L422 VanDerWaalsContact NE-O 3.08Å; R269-L422 PolarHBondContact NH2-O 2.9Å
270L89.6Confident90.7Very high46 Ų4635 Ų3524%0.24118%0.182CC..Hα-helixtrans-93.2-13.5-170.8-61167.8000115.5A266 F267 E272 C359 A363 L364 Y367A266-L270 HydrophobicContact CB-CD1 4.38Å; A266-L270 VanDerWaalsContact O-CB 3.26Å; A266-L270 WeakPolarHBondContact O-CB 3.31Å; A266-L270 WeakPolarHBondContact O-CD1 3.3Å; A266-L270 WeakPolarHBondContact O-CG 3.26Å; A266-L270 PolarHBondContact O-N 3.47Å; F267-L270 PolarHBondContact O-N 3.04Å; L270-E272 PolarHBondContact O-N 3.15Å; L270-C359 VanDerWaalsContact CB-SG 3.53Å; L270-A363 HydrophobicContact CD1-CB 4.19Å; L270-A363 HydrophobicContact CD2-CB 4.34Å; L270-L364 HydrophobicContact CD1-CD2 3.94Å; L270-Y367 HydrophobicContact CD1-CD2 4.09Å; L270-Y367 HydrophobicContact CD1-CG 3.97Å; L270-Y367 HydrophobicContact CD2-CD2 4.09Å; L270-Y367 HydrophobicContact CG-CD2 4.05Å; L270-Y367 HydrophobicContact CG-CG 4.44Å
271C89.8Confident91Very high4 Ų433.3 Ų33.33%0.02717%0.174CC..  trans-67.3131.2179.7-1770000110.7F267 K274 N354 P356 T358F267-C271 WeakPolarHBondContact O-CB 3.41Å; F267-C271 PolarHBondContact O-N 2.81Å; C271-K274 WeakPolarHBondContact O-CG 3.36Å; C271-K274 PolarHBondContact O-NZ 2.96Å; C271-N354 PolarHBondContact SG-ND2 3.18Å; C271-N354 VanDerWaalsContact SG-ND2 3.37Å; C271-P356 PolarHBondContact SG-O 3.21Å; C271-T358 WeakPolarHBondContact CA-O 3.21Å; C271-T358 VanDerWaalsContact CB-O 3.26Å; C271-T358 WeakPolarHBondContact CB-O 3.4Å; C271-T358 PolarHBondContact SG-N 3.19Å; C271-T358 VanDerWaalsContact SG-N 3.38Å; C271-T358 PolarHBondContact SG-O 3.13Å; C271-T358 VanDerWaalsContact SG-O 3.38Å
272E86.5Confident91.3Very high110 Ų11034.8 Ų34.851%0.51418%0.176SC..SBendtrans-137.5138178.1-57.4-171.6151.200108.1L270 K330L270-E272 PolarHBondContact O-N 3.15Å; E272-K330 WeakPolarHBondContact OE1-CE 3.34Å; E272-K330 IonicContact OE1-NZ 3.67Å; E272-K330 PolarHBondContact OE1-NZ 3.19Å; E272-K330 IonicContact OE2-NZ 3.68Å; E272-K330 PolarHBondContact OE2-NZ 3.24Å
273P87.6Confident91.5Very high68 Ų6839.8 Ų39.844%0.44220%0.196SC..SBendcis-64.7172.9-2.330.5-37.1000113.2E275 Q327 N354P273-E275 HydrophobicContact CB-CG 4.27Å; P273-E275 WeakPolarHBondContact CB-OE1 3.23Å; P273-E275 HydrophobicContact CG-CG 4.48Å; P273-E275 WeakPolarHBondContact CG-OE1 3.4Å; P273-Q327 HydrophobicContact CB-CG 4.31Å; P273-Q327 VanDerWaalsContact CB-NE2 3.34Å; P273-N354 PolarHBondContact O-ND2 3.33Å
274K90.2Very high91.6Very high41 Ų4139.7 Ų39.718%0.17820%0.196CC..  trans-116.198.7176.2-68.4-166-169.4-54.70109.5T268 R269 C271 Q327 L328 I350T268-K274 PolarHBondContact O-NZ 3.08Å; R269-K274 PolarHBondContact O-NZ 3.32Å; C271-K274 WeakPolarHBondContact O-CG 3.36Å; C271-K274 PolarHBondContact O-NZ 2.96Å; K274-Q327 WeakPolarHBondContact O-CA 3.21Å; K274-L328 HydrophobicContact CB-CB 4.2Å; K274-L328 HydrophobicContact CD-CD2 4.3Å; K274-L328 PolarHBondContact O-N 2.9Å; K274-I350 HydrophobicContact CB-CG2 4.22Å; K274-I350 WeakPolarHBondContact O-CG2 3.3Å
275E91.4Very high91.7Very high51 Ų5139.7 Ų39.724%0.23820%0.196CC..EExtended strand (participates in β ladder)trans-126.4143.5-171-71.4170-151.600111.1P273 I317 T325 F326 Q327 N354P273-E275 HydrophobicContact CB-CG 4.27Å; P273-E275 WeakPolarHBondContact CB-OE1 3.23Å; P273-E275 HydrophobicContact CG-CG 4.48Å; P273-E275 WeakPolarHBondContact CG-OE1 3.4Å; E275-I317 VanDerWaalsContact CD-CD1 3.4Å; E275-I317 HydrophobicContact CG-CD1 4.04Å; E275-I317 VanDerWaalsContact OE1-CD1 3.26Å; E275-I317 WeakPolarHBondContact OE1-CD1 3.4Å; E275-T325 HydrophobicContact CB-CG2 4.24Å; E275-F326 WeakPolarHBondContact CA-O 3.17Å; E275-Q327 HydrophobicContact CG-CB 3.73Å; E275-Q327 HydrophobicContact CG-CG 3.69Å; E275-Q327 PolarHBondContact OE1-NE2 3.25Å; E275-N354 PolarHBondContact N-OD1 3.32Å; E275-N354 VanDerWaalsContact O-CA 3.26Å; E275-N354 WeakPolarHBondContact O-CA 3.25Å; E275-N354 PolarHBondContact O-OD1 3.14Å
276A92.9Very high91.7Very high4 Ų439.9 Ų39.93%0.03320%0.2CC..EExtended strand (participates in β ladder)trans-148.2145.9164.700000111.3I281 F326 I350 M353A276-I281 HydrophobicContact CB-CD1 4.1Å; A276-I281 HydrophobicContact CB-CG1 3.72Å; A276-F326 PolarHBondContact N-O 2.75Å; A276-F326 PolarHBondContact O-N 3.37Å; A276-I350 HydrophobicContact CB-CB 4.42Å; A276-I350 HydrophobicContact CB-CG1 4.12Å; A276-M353 HydrophobicContact CB-CB 4.24Å
277S92.9Very high91.8Very high31 Ų3145.3 Ų45.322%0.21723%0.226CC..EExtended strand (participates in β ladder)trans-79.4151172.263.20000111.6S279 L280 I281 G324S277-S279 PolarHBondContact O-N 2.57Å; S277-S279 PolarHBondContact OG-OG 3.46Å; S277-L280 PolarHBondContact O-N 2.92Å; S277-L280 WeakPolarHBondContact OG-CG 3.33Å; S277-I281 WeakPolarHBondContact O-CG1 3.5Å; S277-I281 PolarHBondContact O-N 3.47Å; S277-G324 CarbonylContact C-O 3.57Å; S277-G324 VanDerWaalsContact CA-O 3.25Å; S277-G324 WeakPolarHBondContact CA-O 3.41Å
278Y93.1Very high91.7Very high29 Ų2948.6 Ų48.611%0.11424%0.239CC..Hα-helixtrans-47.6-37.5178.3175.4-93.6000113.2I281 R282 P298 L301 K302 L305 G324Y278-I281 PolarHBondContact O-N 3.15Å; Y278-R282 VanDerWaalsContact O-CB 3.32Å; Y278-R282 WeakPolarHBondContact O-CB 3.34Å; Y278-R282 PolarHBondContact O-N 3.11Å; Y278-P298 WeakPolarHBondContact OH-CB 3.31Å; Y278-L301 HydrophobicContact CD2-CD2 4.19Å; Y278-L301 HydrophobicContact CD2-CG 4.44Å; Y278-L301 HydrophobicContact CE2-CD2 3.65Å; Y278-L301 HydrophobicContact CE2-CG 3.82Å; Y278-K302 HydrophobicContact CE2-CG 3.62Å; Y278-L305 HydrophobicContact CD2-CD1 3.63Å; Y278-L305 HydrophobicContact CE2-CD1 4.14Å; Y278-G324 PolarHBondContact N-O 3.18Å
279S92.6Very high91.7Very high75 Ų7550.3 Ų50.352%0.52425%0.245SC..Hα-helixtrans-71.2-33.7-179.861.20000113.2S277 K283S277-S279 PolarHBondContact O-N 2.57Å; S277-S279 PolarHBondContact OG-OG 3.46Å; S279-K283 WeakPolarHBondContact O-CB 3.43Å; S279-K283 PolarHBondContact O-N 2.94Å
280L92.3Very high91.7Very high36 Ų3649.8 Ų49.819%0.18826%0.255CS..Hα-helixtrans-74.5-41.2172.3-62.1178.9000111S277 K283 Y284 M353S277-L280 PolarHBondContact O-N 2.92Å; S277-L280 WeakPolarHBondContact OG-CG 3.33Å; L280-K283 PolarHBondContact O-N 3.27Å; L280-Y284 PolarHBondContact O-N 3.47Å; L280-M353 HydrophobicContact CB-CB 3.95Å; L280-M353 HydrophobicContact CB-CE 4.06Å; L280-M353 HydrophobicContact CB-CG 4.22Å; L280-M353 HydrophobicContact CD1-CB 4.48Å; L280-M353 HydrophobicContact CD2-CE 3.83Å; L280-M353 HydrophobicContact CG-CE 4.4Å
281I93.6Very high91.7Very high0 Ų057.3 Ų57.30%029%0.286CS..Hα-helixtrans-59.9-51.9175.5-62.9170.1000110.3A276 S277 Y278 K283 Y284 V285 L301 L305 F326 I346 A349 I350A276-I281 HydrophobicContact CB-CD1 4.1Å; A276-I281 HydrophobicContact CB-CG1 3.72Å; S277-I281 WeakPolarHBondContact O-CG1 3.5Å; S277-I281 PolarHBondContact O-N 3.47Å; Y278-I281 PolarHBondContact O-N 3.15Å; I281-K283 VanDerWaalsContact C-N 3.32Å; I281-K283 PolarHBondContact O-N 3Å; I281-Y284 PolarHBondContact O-N 3.33Å; I281-V285 HydrophobicContact CG2-CG2 4.24Å; I281-V285 VanDerWaalsContact O-CG2 3.31Å; I281-V285 WeakPolarHBondContact O-CG2 3.11Å; I281-V285 PolarHBondContact O-N 3.21Å; I281-L301 HydrophobicContact CG2-CD1 3.78Å; I281-L301 HydrophobicContact CG2-CD2 4.16Å; I281-L305 HydrophobicContact CD1-CD2 4.2Å; I281-F326 HydrophobicContact CD1-CD2 4.17Å; I281-I346 HydrophobicContact CG2-CG1 4.39Å; I281-A349 HydrophobicContact CB-CB 4.31Å; I281-A349 HydrophobicContact CG1-CB 4.34Å; I281-A349 HydrophobicContact CG2-CB 3.97Å; I281-I350 HydrophobicContact CD1-CD1 4.27Å; I281-I350 HydrophobicContact CD1-CG1 3.81Å; I281-I350 HydrophobicContact CG1-CG1 4.17Å
282R93.7Very high91.6Very high82 Ų8258.8 Ų58.831%0.30929%0.293SS..Hα-helixtrans-55-45.7176.4-177.8175.5-175.7-174.18.3111.9Y278 V285 S286 V294 D295 L301Y278-R282 VanDerWaalsContact O-CB 3.32Å; Y278-R282 WeakPolarHBondContact O-CB 3.34Å; Y278-R282 PolarHBondContact O-N 3.11Å; R282-V285 PolarHBondContact O-N 3.48Å; R282-S286 WeakPolarHBondContact O-CB 3.25Å; R282-S286 PolarHBondContact O-N 2.79Å; R282-V294 HydrophobicContact CG-CG1 4.07Å; R282-D295 IonicContact NE-OD1 3.85Å; R282-D295 PolarHBondContact NH2-O 3.18Å; R282-L301 HydrophobicContact CB-CD2 3.85Å; R282-L301 HydrophobicContact CG-CD2 4.47Å
283K93.4Very high91.6Very high116 Ų11661.2 Ų61.250%0.50430%0.298SS..Hα-helixtrans-60.9-45.3179.6-173.8-171.9-60.3172.70112.2S279 L280 I281 Q287S279-K283 WeakPolarHBondContact O-CB 3.43Å; S279-K283 PolarHBondContact O-N 2.94Å; L280-K283 PolarHBondContact O-N 3.27Å; I281-K283 VanDerWaalsContact C-N 3.32Å; I281-K283 PolarHBondContact O-N 3Å; K283-Q287 WeakPolarHBondContact O-CB 3.21Å; K283-Q287 PolarHBondContact O-N 2.93Å
284Y94.1Very high91.7Very high2 Ų258.1 Ų58.11%0.00828%0.277CS..Hα-helixtrans-67.5-44.2178.7-171.2-89.2000112.3L280 I281 Q287 Y288 Y289 A349 A352 M353 P417 P419L280-Y284 PolarHBondContact O-N 3.47Å; I281-Y284 PolarHBondContact O-N 3.33Å; Y284-Q287 PolarHBondContact O-N 2.86Å; Y284-Y288 HydrophobicContact CD1-CD2 4.05Å; Y284-Y288 AromaticContact CD2-CD2 3.61Å; Y284-Y288 HydrophobicContact CD2-CD2 3.61Å; Y284-Y288 AromaticContact CD2-CE2 3.64Å; Y284-Y288 HydrophobicContact CD2-CE2 3.64Å; Y284-Y288 AromaticContact CE1-CD2 3.9Å; Y284-Y288 HydrophobicContact CE1-CD2 3.9Å; Y284-Y288 AromaticContact CE2-CD2 3.41Å; Y284-Y288 HydrophobicContact CE2-CD2 3.41Å; Y284-Y288 VanDerWaalsContact CE2-CD2 3.41Å; Y284-Y288 AromaticContact CE2-CE2 3.36Å; Y284-Y288 HydrophobicContact CE2-CE2 3.36Å; Y284-Y288 AromaticContact CG-CD2 3.94Å; Y284-Y288 HydrophobicContact CG-CD2 3.94Å; Y284-Y288 HydrophobicContact CG-CE2 4.41Å; Y284-Y288 AromaticContact CZ-CD2 3.59Å; Y284-Y288 AromaticContact CZ-CE2 3.95Å; Y284-Y288 PolarHBondContact O-N 3.44Å; Y284-Y289 HydrophobicContact CE1-CE2 4.17Å; Y284-A349 VanDerWaalsContact CD1-CA 3.44Å; Y284-A349 HydrophobicContact CD1-CB 3.57Å; Y284-A349 HydrophobicContact CE1-CB 4.4Å; Y284-A349 HydrophobicContact CG-CB 3.92Å; Y284-A352 HydrophobicContact CD2-CB 3.74Å; Y284-A352 HydrophobicContact CE1-CB 4.44Å; Y284-A352 HydrophobicContact CE2-CB 3.16Å; Y284-M353 HydrophobicContact CD2-CG 4.04Å; Y284-M353 HydrophobicContact CD2-SD 3.68Å; Y284-M353 HydrophobicContact CG-CG 4.19Å; Y284-M353 HydrophobicContact CG-SD 4.29Å; Y284-P417 VanDerWaalsContact CE2-O 3.26Å; Y284-P417 WeakPolarHBondContact CE2-O 3.43Å; Y284-P417 PolarHBondContact OH-O 3.32Å; Y284-P419 HydrophobicContact CE1-CG 4.02Å; Y284-P419 VanDerWaalsContact OH-CD 3.27Å; Y284-P419 WeakPolarHBondContact OH-CD 3.29Å
285V94Very high91.5Very high0 Ų059.8 Ų59.80%029%0.288CS..Hα-helixtrans-68.2-37.8-179.9-178.70000111.3I281 R282 Y289 L292 V294 M342 A345 A349I281-V285 HydrophobicContact CG2-CG2 4.24Å; I281-V285 VanDerWaalsContact O-CG2 3.31Å; I281-V285 WeakPolarHBondContact O-CG2 3.11Å; I281-V285 PolarHBondContact O-N 3.21Å; R282-V285 PolarHBondContact O-N 3.48Å; V285-Y289 CarbonylContact O-C 3.59Å; V285-Y289 VanDerWaalsContact O-C 3.29Å; V285-Y289 VanDerWaalsContact O-CA 3.28Å; V285-Y289 WeakPolarHBondContact O-CA 3.18Å; V285-Y289 WeakPolarHBondContact O-CB 3.24Å; V285-Y289 PolarHBondContact O-N 2.99Å; V285-L292 HydrophobicContact CG1-CB 4.44Å; V285-L292 HydrophobicContact CG1-CD1 3.75Å; V285-V294 HydrophobicContact CG1-CB 4.5Å; V285-V294 HydrophobicContact CG1-CG2 3.63Å; V285-M342 HydrophobicContact CG1-CE 4.17Å; V285-A345 HydrophobicContact CG1-CB 4.18Å; V285-A345 HydrophobicContact CG2-CB 4.12Å; V285-A349 HydrophobicContact CG2-CB 4.1Å
286S93.4Very high91.4Very high39 Ų3963.7 Ų63.727%0.27331%0.309SS..Hα-helixtrans-54.9-53.7168.3173.90000111.8R282 D295R282-S286 WeakPolarHBondContact O-CB 3.25Å; R282-S286 PolarHBondContact O-N 2.79Å; S286-D295 WeakPolarHBondContact CB-OD2 3.46Å; S286-D295 PolarHBondContact OG-OD1 2.94Å; S286-D295 PolarHBondContact OG-OD2 2.84Å
287Q92.1Very high91.2Very high115 Ų11569.8 Ų69.854%0.53733%0.331SS..Hα-helixtrans-67.2-41.2-173.4-178177.3-16.400113.8K283 Y284K283-Q287 WeakPolarHBondContact O-CB 3.21Å; K283-Q287 PolarHBondContact O-N 2.93Å; Y284-Q287 PolarHBondContact O-N 2.86Å
288Y92.1Very high91Very high69 Ų6970 Ų7027%0.27133%0.332SS..Hα-helixtrans-107.7-17-171.9-65.7-69.4000114.8Y284 Y416 P419Y284-Y288 HydrophobicContact CD1-CD2 4.05Å; Y284-Y288 AromaticContact CD2-CD2 3.61Å; Y284-Y288 HydrophobicContact CD2-CD2 3.61Å; Y284-Y288 AromaticContact CD2-CE2 3.64Å; Y284-Y288 HydrophobicContact CD2-CE2 3.64Å; Y284-Y288 AromaticContact CE1-CD2 3.9Å; Y284-Y288 HydrophobicContact CE1-CD2 3.9Å; Y284-Y288 AromaticContact CE2-CD2 3.41Å; Y284-Y288 HydrophobicContact CE2-CD2 3.41Å; Y284-Y288 VanDerWaalsContact CE2-CD2 3.41Å; Y284-Y288 AromaticContact CE2-CE2 3.36Å; Y284-Y288 HydrophobicContact CE2-CE2 3.36Å; Y284-Y288 AromaticContact CG-CD2 3.94Å; Y284-Y288 HydrophobicContact CG-CD2 3.94Å; Y284-Y288 HydrophobicContact CG-CE2 4.41Å; Y284-Y288 AromaticContact CZ-CD2 3.59Å; Y284-Y288 AromaticContact CZ-CE2 3.95Å; Y284-Y288 PolarHBondContact O-N 3.44Å; Y288-Y416 PolarHBondContact OH-O 3.11Å; Y288-P419 HydrophobicContact CG-CG 4.18Å
289Y91.8Very high90.8Very high36 Ų3674 Ų7414%0.14135%0.351CS..  trans-127.656.1-179.7-60.4-90.4000112.3Y284 V285 K291 L292 Y344 A345 S348 P419Y284-Y289 HydrophobicContact CE1-CE2 4.17Å; V285-Y289 CarbonylContact O-C 3.59Å; V285-Y289 VanDerWaalsContact O-C 3.29Å; V285-Y289 VanDerWaalsContact O-CA 3.28Å; V285-Y289 WeakPolarHBondContact O-CA 3.18Å; V285-Y289 WeakPolarHBondContact O-CB 3.24Å; V285-Y289 PolarHBondContact O-N 2.99Å; Y289-K291 PolarHBondContact O-N 2.81Å; Y289-L292 HydrophobicContact CG-CD1 4.28Å; Y289-L292 WeakPolarHBondContact O-CB 3.37Å; Y289-L292 PolarHBondContact O-N 3.45Å; Y289-Y344 HydrophobicContact CE1-CD1 4.32Å; Y289-Y344 VanDerWaalsContact OH-CD1 3.31Å; Y289-Y344 WeakPolarHBondContact OH-CD1 3.48Å; Y289-Y344 WeakPolarHBondContact OH-CE1 2.74Å; Y289-A345 HydrophobicContact CD1-CB 4.05Å; Y289-A345 HydrophobicContact CD2-CB 3.61Å; Y289-A345 HydrophobicContact CE1-CB 4.07Å; Y289-A345 HydrophobicContact CE2-CB 3.62Å; Y289-A345 HydrophobicContact CG-CB 3.81Å; Y289-S348 PolarHBondContact OH-OG 2.68Å; Y289-P419 HydrophobicContact CD2-CG 4.46Å; Y289-P419 HydrophobicContact CE2-CB 4.36Å; Y289-P419 HydrophobicContact CE2-CG 3.56Å; Y289-P419 WeakPolarHBondContact OH-CB 3.34Å
290P89.3Confident90.7Very high91 Ų9173.8 Ų73.859%0.59134%0.344SS*.G310 helixtrans-57.8-23.5-178.524.3-35.3000113.4L292 R293P290-L292 PolarHBondContact O-N 3.23Å; P290-R293 PolarHBondContact O-N 2.85Å; P290-R293 VanDerWaalsContact O-N 3.08Å
291K88.6Confident90.7Very high205 Ų20572.1 Ų72.189%0.89134%0.335SS*.G310 helixtrans-55-31.1171.9-64.4-173.4178.5-175.30113.3Y289 R293Y289-K291 PolarHBondContact O-N 2.81Å; K291-R293 VanDerWaalsContact C-N 3.33Å
292L88.1Confident90.7Very high34 Ų3475.4 Ų75.418%0.17835%0.35CS..G310 helixtrans-78.8-13.7-179.8-64.2173.7000113.3V285 Y289 P290 V294 L341 M342 A345V285-L292 HydrophobicContact CG1-CB 4.44Å; V285-L292 HydrophobicContact CG1-CD1 3.75Å; Y289-L292 HydrophobicContact CG-CD1 4.28Å; Y289-L292 WeakPolarHBondContact O-CB 3.37Å; Y289-L292 PolarHBondContact O-N 3.45Å; P290-L292 PolarHBondContact O-N 3.23Å; L292-V294 HydrophobicContact CB-CG2 3.89Å; L292-V294 PolarHBondContact O-N 3.22Å; L292-V294 VanDerWaalsContact O-N 3.15Å; L292-L341 HydrophobicContact CD2-CB 4.43Å; L292-M342 HydrophobicContact CD1-CE 4.26Å; L292-M342 HydrophobicContact CD1-SD 3.93Å; L292-M342 HydrophobicContact CD2-SD 4.28Å; L292-M342 HydrophobicContact CG-SD 4.49Å; L292-A345 HydrophobicContact CD1-CB 3.63Å
293R86.9Confident90.7Very high162 Ų16275.8 Ų75.861%0.61136%0.358SS*.  trans50.435.5176.6-60-173.9178.1-168.71114.8P290 K291 D295 I296 R297P290-R293 PolarHBondContact O-N 2.85Å; P290-R293 VanDerWaalsContact O-N 3.08Å; K291-R293 VanDerWaalsContact C-N 3.33Å; R293-D295 PolarHBondContact O-N 3.41Å; R293-I296 HydrophobicContact CB-CD1 4.48Å; R293-I296 PolarHBondContact O-N 2.98Å; R293-I296 VanDerWaalsContact O-N 3.14Å; R293-R297 PolarHBondContact O-N 2.96Å
294V88.9Confident90.6Very high2 Ų271 Ų711%0.01234%0.34CS..THydrogen-bonded Turntrans-62-25.6-174.5-178.30000113R282 V285 L292 R297 P298 L301 M342R282-V294 HydrophobicContact CG-CG1 4.07Å; V285-V294 HydrophobicContact CG1-CB 4.5Å; V285-V294 HydrophobicContact CG1-CG2 3.63Å; L292-V294 HydrophobicContact CB-CG2 3.89Å; L292-V294 PolarHBondContact O-N 3.22Å; L292-V294 VanDerWaalsContact O-N 3.15Å; V294-R297 CarbonylContact O-C 3.55Å; V294-P298 VanDerWaalsContact O-CA 3.24Å; V294-P298 WeakPolarHBondContact O-CA 3.18Å; V294-L301 HydrophobicContact CG1-CB 3.57Å; V294-L301 HydrophobicContact CG1-CD2 3.73Å; V294-L301 HydrophobicContact CG1-CG 4.27Å; V294-L301 HydrophobicContact CG2-CB 4.43Å; V294-M342 HydrophobicContact CG2-CE 4.34Å
295D86.5Confident90.5Very high77 Ų7770.9 Ų70.941%0.41234%0.34SS..THydrogen-bonded Turntrans-68.4-40.4176.8-58.4-56.3000112.7R282 S286 R293R282-D295 IonicContact NE-OD1 3.85Å; R282-D295 PolarHBondContact NH2-O 3.18Å; S286-D295 WeakPolarHBondContact CB-OD2 3.46Å; S286-D295 PolarHBondContact OG-OD1 2.94Å; S286-D295 PolarHBondContact OG-OD2 2.84Å; R293-D295 PolarHBondContact O-N 3.41Å
296I89.5Confident90.5Very high132 Ų13273.7 Ų73.768%0.67735%0.353SS*.THydrogen-bonded Turntrans-76.3-40.5177-54.3173.5000110.3R293 P298R293-I296 HydrophobicContact CB-CD1 4.48Å; R293-I296 PolarHBondContact O-N 2.98Å; R293-I296 VanDerWaalsContact O-N 3.14Å; I296-P298 WeakPolarHBondContact O-CD 3.31Å
297R87.8Confident90.4Very high133 Ų13379.3 Ų79.350%0.50237%0.368SS..  trans-124.771.7-177.4-57-170.2-59.9177.51.9112R293 V294 Q299 L300R293-R297 PolarHBondContact O-N 2.96Å; V294-R297 CarbonylContact O-C 3.55Å; R297-Q299 PolarHBondContact O-N 2.74Å; R297-Q299 VanDerWaalsContact O-N 3.13Å; R297-L300 HydrophobicContact CB-CD1 3.73Å; R297-L300 PolarHBondContact O-N 3.24Å; R297-L300 VanDerWaalsContact O-N 3.16Å
298P88.9Confident90.4Very high35 Ų3573.9 Ų73.923%0.22734%0.342CS..Hα-helixtrans-61.4-22.7179.923.6-33.8000113.3Y278 V294 I296 L300 L301 K302Y278-P298 WeakPolarHBondContact OH-CB 3.31Å; V294-P298 VanDerWaalsContact O-CA 3.24Å; V294-P298 WeakPolarHBondContact O-CA 3.18Å; I296-P298 WeakPolarHBondContact O-CD 3.31Å; P298-L300 PolarHBondContact O-N 2.82Å; P298-L301 PolarHBondContact O-N 2.95Å; P298-K302 PolarHBondContact O-N 3.38Å; P298-K302 VanDerWaalsContact O-N 3.07Å
299Q89.8Confident90.4Very high112 Ų11272.4 Ų72.452%0.52334%0.341SS..Hα-helixtrans-61.4-28.1177.1-52.7-64.533.100113.1R297 K302 N303R297-Q299 PolarHBondContact O-N 2.74Å; R297-Q299 VanDerWaalsContact O-N 3.13Å; Q299-K302 PolarHBondContact O-N 3.28Å; Q299-N303 WeakPolarHBondContact O-CB 3.14Å; Q299-N303 PolarHBondContact O-N 2.57Å; Q299-N303 PolarHBondContact O-OD1 3.11Å
300L90.9Very high90.3Very high72 Ų7276.8 Ų76.838%0.37736%0.362SS..Hα-helixtrans-67.1-43.5176-87.177.8000111.8R297 P298 A304R297-L300 HydrophobicContact CB-CD1 3.73Å; R297-L300 PolarHBondContact O-N 3.24Å; R297-L300 VanDerWaalsContact O-N 3.16Å; P298-L300 PolarHBondContact O-N 2.82Å; L300-A304 VanDerWaalsContact O-CB 3.3Å; L300-A304 WeakPolarHBondContact O-CB 3.26Å; L300-A304 PolarHBondContact O-N 3.16Å
301L92.4Very high90.4Very high0 Ų079.7 Ų79.70%036%0.362CS..Hα-helixtrans-64.8-42.4174.717062.7000110.7Y278 I281 R282 V294 P298 A304 L305 M342 I346Y278-L301 HydrophobicContact CD2-CD2 4.19Å; Y278-L301 HydrophobicContact CD2-CG 4.44Å; Y278-L301 HydrophobicContact CE2-CD2 3.65Å; Y278-L301 HydrophobicContact CE2-CG 3.82Å; I281-L301 HydrophobicContact CG2-CD1 3.78Å; I281-L301 HydrophobicContact CG2-CD2 4.16Å; R282-L301 HydrophobicContact CB-CD2 3.85Å; R282-L301 HydrophobicContact CG-CD2 4.47Å; V294-L301 HydrophobicContact CG1-CB 3.57Å; V294-L301 HydrophobicContact CG1-CD2 3.73Å; V294-L301 HydrophobicContact CG1-CG 4.27Å; V294-L301 HydrophobicContact CG2-CB 4.43Å; P298-L301 PolarHBondContact O-N 2.95Å; L301-A304 PolarHBondContact O-N 3.42Å; L301-L305 HydrophobicContact CD1-CD1 3.76Å; L301-L305 HydrophobicContact CD1-CG 3.94Å; L301-L305 HydrophobicContact CG-CD1 3.89Å; L301-L305 HydrophobicContact CG-CG 4.47Å; L301-L305 WeakPolarHBondContact O-CB 3.45Å; L301-L305 WeakPolarHBondContact O-CG 3.48Å; L301-L305 PolarHBondContact O-N 2.9Å; L301-M342 HydrophobicContact CB-CE 4.09Å; L301-M342 HydrophobicContact CD1-CE 3.57Å; L301-M342 HydrophobicContact CG-CE 4.42Å; L301-I346 HydrophobicContact CD1-CD1 3.9Å; L301-I346 HydrophobicContact CD1-CG1 3.68Å
302K92.6Very high90.3Very high69 Ų6971.4 Ų71.430%0.333%0.334SS..Hα-helixtrans-58.7-52.3177.1-77.7-179160.9-170.30112.3Y278 P298 Q299 A304 L305 Q306 A322Y278-K302 HydrophobicContact CE2-CG 3.62Å; P298-K302 PolarHBondContact O-N 3.38Å; P298-K302 VanDerWaalsContact O-N 3.07Å; Q299-K302 PolarHBondContact O-N 3.28Å; K302-A304 VanDerWaalsContact C-N 3.27Å; K302-A304 PolarHBondContact O-N 2.94Å; K302-L305 PolarHBondContact O-N 3.42Å; K302-Q306 WeakPolarHBondContact O-CB 3.49Å; K302-Q306 PolarHBondContact O-N 2.96Å; K302-A322 HydrophobicContact CB-CB 3.52Å; K302-A322 HydrophobicContact CD-CB 4.44Å; K302-A322 HydrophobicContact CG-CB 3.85Å; K302-A322 VanDerWaalsContact O-CB 3.32Å; K302-A322 WeakPolarHBondContact O-CB 3.48Å
303N92.8Very high90.3Very high91 Ų9171.2 Ų71.249%0.48733%0.332SS..Hα-helixtrans-66.4-30.7-178.9-64.78.8000111.9Q299 R307Q299-N303 WeakPolarHBondContact O-CB 3.14Å; Q299-N303 PolarHBondContact O-N 2.57Å; Q299-N303 PolarHBondContact O-OD1 3.11Å; N303-R307 WeakPolarHBondContact O-CB 3.38Å; N303-R307 WeakPolarHBondContact O-CD 3.4Å; N303-R307 VanDerWaalsContact O-CG 3.25Å; N303-R307 WeakPolarHBondContact O-CG 3.36Å; N303-R307 PolarHBondContact O-N 2.92Å; N303-R307 VanDerWaalsContact O-N 3.08Å
304A92.4Very high90.5Very high15 Ų1563.6 Ų63.612%0.12430%0.304CS..Hα-helixtrans-70.8-41.5173.500000112.8L300 L301 K302 A308 M342 I346L300-A304 VanDerWaalsContact O-CB 3.3Å; L300-A304 WeakPolarHBondContact O-CB 3.26Å; L300-A304 PolarHBondContact O-N 3.16Å; L301-A304 PolarHBondContact O-N 3.42Å; K302-A304 VanDerWaalsContact C-N 3.27Å; K302-A304 PolarHBondContact O-N 2.94Å; A304-A308 WeakPolarHBondContact O-CB 3.44Å; A304-A308 PolarHBondContact O-N 3.1Å; A304-M342 HydrophobicContact CB-CG 3.5Å; A304-I346 HydrophobicContact CB-CD1 3.83Å
305L92.8Very high90.6Very high0 Ų067.3 Ų67.30%032%0.321CS..Hα-helixtrans-64.3-44.3173.9-74.1166.7000111.6Y278 I281 L301 K302 A308 V309 L314 F326 I346Y278-L305 HydrophobicContact CD2-CD1 3.63Å; Y278-L305 HydrophobicContact CE2-CD1 4.14Å; I281-L305 HydrophobicContact CD1-CD2 4.2Å; L301-L305 HydrophobicContact CD1-CD1 3.76Å; L301-L305 HydrophobicContact CD1-CG 3.94Å; L301-L305 HydrophobicContact CG-CD1 3.89Å; L301-L305 HydrophobicContact CG-CG 4.47Å; L301-L305 WeakPolarHBondContact O-CB 3.45Å; L301-L305 WeakPolarHBondContact O-CG 3.48Å; L301-L305 PolarHBondContact O-N 2.9Å; K302-L305 PolarHBondContact O-N 3.42Å; L305-A308 PolarHBondContact O-N 2.86Å; L305-V309 WeakPolarHBondContact O-CG2 3.42Å; L305-V309 PolarHBondContact O-N 2.7Å; L305-L314 HydrophobicContact CD2-CD1 3.63Å; L305-F326 HydrophobicContact CB-CE1 4.32Å; L305-F326 HydrophobicContact CB-CZ 4.21Å; L305-F326 HydrophobicContact CD1-CD2 4.28Å; L305-F326 HydrophobicContact CD1-CE2 3.87Å; L305-F326 HydrophobicContact CD1-CZ 4.26Å; L305-F326 HydrophobicContact CD2-CD1 4.49Å; L305-F326 HydrophobicContact CD2-CD2 4.12Å; L305-F326 HydrophobicContact CD2-CE2 4.4Å; L305-F326 HydrophobicContact CD2-CG 4.18Å; L305-I346 HydrophobicContact CD2-CD1 4.12Å; L305-I346 HydrophobicContact CD2-CG1 4.38Å; L305-I346 HydrophobicContact CD2-CG2 3.68Å; L305-I346 HydrophobicContact CG-CD1 4.17Å
306Q92.8Very high90.9Very high59 Ų5966.2 Ų66.228%0.27631%0.314SS..Hα-helixtrans-56.1-51.8176.1-175.560.341.900111.1K302 A308 V309 E310 G321 A322K302-Q306 WeakPolarHBondContact O-CB 3.49Å; K302-Q306 PolarHBondContact O-N 2.96Å; Q306-A308 VanDerWaalsContact C-N 3.32Å; Q306-A308 PolarHBondContact O-N 2.75Å; Q306-V309 PolarHBondContact O-N 3.26Å; Q306-V309 VanDerWaalsContact O-N 3.15Å; Q306-E310 VanDerWaalsContact CG-OE1 3.27Å; Q306-E310 WeakPolarHBondContact CG-OE1 3.26Å; Q306-E310 PolarHBondContact NE2-OE1 3.46Å; Q306-E310 WeakPolarHBondContact O-CG 3.27Å; Q306-E310 PolarHBondContact O-N 2.93Å; Q306-G321 VanDerWaalsContact OE1-C 3.3Å; Q306-G321 VanDerWaalsContact OE1-CA 3.3Å; Q306-A322 HydrophobicContact CB-CB 4.3Å
307R91.6Very high91Very high157 Ų15763.8 Ų63.859%0.59230%0.301SS*.Hα-helixtrans-61.5-35.1175.3-73.3170.8179.2-179.3-2.3113.7N303 V309 E310 R311N303-R307 WeakPolarHBondContact O-CB 3.38Å; N303-R307 WeakPolarHBondContact O-CD 3.4Å; N303-R307 VanDerWaalsContact O-CG 3.25Å; N303-R307 WeakPolarHBondContact O-CG 3.36Å; N303-R307 PolarHBondContact O-N 2.92Å; N303-R307 VanDerWaalsContact O-N 3.08Å; R307-V309 VanDerWaalsContact C-N 3.34Å; R307-E310 WeakPolarHBondContact CA-OE2 3.06Å; R307-E310 PolarHBondContact O-N 3.26Å; R307-R311 VanDerWaalsContact O-CB 3.29Å; R307-R311 WeakPolarHBondContact O-CB 3.3Å; R307-R311 WeakPolarHBondContact O-CD 3.42Å; R307-R311 WeakPolarHBondContact O-CG 3.34Å; R307-R311 PolarHBondContact O-N 3.37Å
308A91Very high91Very high0 Ų061.2 Ų61.20%030%0.3CS..Hα-helixtrans-70.8-29.9177.400000112.4A304 L305 Q306 Q313 L314 L337A304-A308 WeakPolarHBondContact O-CB 3.44Å; A304-A308 PolarHBondContact O-N 3.1Å; L305-A308 PolarHBondContact O-N 2.86Å; Q306-A308 VanDerWaalsContact C-N 3.32Å; Q306-A308 PolarHBondContact O-N 2.75Å; A308-Q313 WeakPolarHBondContact O-CA 3.43Å; A308-Q313 WeakPolarHBondContact O-CB 3.44Å; A308-Q313 PolarHBondContact O-N 3.06Å; A308-L314 HydrophobicContact CB-CB 4.36Å; A308-L314 HydrophobicContact CB-CD1 3.74Å; A308-L314 HydrophobicContact CB-CG 3.88Å; A308-L314 PolarHBondContact O-N 3.34Å; A308-L337 HydrophobicContact CB-CD1 3.74Å
309V92.3Very high90.8Very high38 Ų3861.8 Ų61.823%0.2331%0.312CS..Hα-helixtrans-73.2-45.2169.9174.50000110.9L305 Q306 R307 R311 G312 L314 Q316 F326L305-V309 WeakPolarHBondContact O-CG2 3.42Å; L305-V309 PolarHBondContact O-N 2.7Å; Q306-V309 PolarHBondContact O-N 3.26Å; Q306-V309 VanDerWaalsContact O-N 3.15Å; R307-V309 VanDerWaalsContact C-N 3.34Å; V309-R311 VanDerWaalsContact C-N 3.26Å; V309-R311 PolarHBondContact O-N 2.69Å; V309-G312 WeakPolarHBondContact O-CA 3.48Å; V309-G312 PolarHBondContact O-N 3.4Å; V309-L314 WeakPolarHBondContact CA-O 3.41Å; V309-L314 HydrophobicContact CG2-CB 3.88Å; V309-Q316 HydrophobicContact CG2-CB 4.47Å; V309-F326 HydrophobicContact CG2-CD1 3.82Å; V309-F326 HydrophobicContact CG2-CE1 3.9Å
310E91.3Very high90.4Very high128 Ų12866 Ų6660%0.59833%0.329SS*.Hα-helixtrans-59.7-34.6176.1-70.8158.4178.700112.6Q306 R307 G312Q306-E310 VanDerWaalsContact CG-OE1 3.27Å; Q306-E310 WeakPolarHBondContact CG-OE1 3.26Å; Q306-E310 PolarHBondContact NE2-OE1 3.46Å; Q306-E310 WeakPolarHBondContact O-CG 3.27Å; Q306-E310 PolarHBondContact O-N 2.93Å; R307-E310 WeakPolarHBondContact CA-OE2 3.06Å; R307-E310 PolarHBondContact O-N 3.26Å; E310-G312 PolarHBondContact O-N 3.27Å
311R89.8Confident89.8Confident153 Ų15364 Ų6458%0.57733%0.326SS*.THydrogen-bonded Turntrans-77.90.5172.9-71.7169.6167.5-167.8-10.2114.3R307 V309 Q313 E343R307-R311 VanDerWaalsContact O-CB 3.29Å; R307-R311 WeakPolarHBondContact O-CB 3.3Å; R307-R311 WeakPolarHBondContact O-CD 3.42Å; R307-R311 WeakPolarHBondContact O-CG 3.34Å; R307-R311 PolarHBondContact O-N 3.37Å; V309-R311 VanDerWaalsContact C-N 3.26Å; V309-R311 PolarHBondContact O-N 2.69Å; R311-Q313 HydrophobicContact CB-CG 3.87Å; R311-Q313 PolarHBondContact O-N 3.01Å; R311-E343 IonicContact CZ-OE1 2.71Å; R311-E343 IonicContact NH1-OE1 2.65Å; R311-E343 PolarHBondContact NH1-OE1 3.46Å
312G87.8Confident89.1Confident31 Ų3165 Ų6532%0.3233%0.334SS..THydrogen-bonded Turntrans65.612.9-175.900000115.2V309 E310 K329V309-G312 WeakPolarHBondContact O-CA 3.48Å; V309-G312 PolarHBondContact O-N 3.4Å; E310-G312 PolarHBondContact O-N 3.27Å; G312-K329 WeakPolarHBondContact O-CD 3.47Å
313Q88.2Confident88.7Confident29 Ų2964.5 Ų64.514%0.13634%0.34CS..SBendtrans-82.4-29.1-179.4-58.5179.1-24.400111.9A308 R311 K329 L336 L337A308-Q313 WeakPolarHBondContact O-CA 3.43Å; A308-Q313 WeakPolarHBondContact O-CB 3.44Å; A308-Q313 PolarHBondContact O-N 3.06Å; R311-Q313 HydrophobicContact CB-CG 3.87Å; R311-Q313 PolarHBondContact O-N 3.01Å; Q313-K329 PolarHBondContact O-N 3.48Å; Q313-K329 VanDerWaalsContact O-N 3.17Å; Q313-L336 HydrophobicContact CB-CB 4.27Å; Q313-L336 HydrophobicContact CG-CB 3.87Å; Q313-L336 HydrophobicContact CG-CD1 4.47Å; Q313-L336 PolarHBondContact NE2-O 3.14Å; Q313-L337 HydrophobicContact CB-CD1 4.34Å
314L90.6Very high88.5Confident3 Ų361.1 Ų61.12%0.01633%0.326CS..EExtended strand (participates in β ladder)trans-119.3152.1170.7-66-177.9000110.1L305 A308 V309 F326 Q327 L328 L337 I346 I350L305-L314 HydrophobicContact CD2-CD1 3.63Å; A308-L314 HydrophobicContact CB-CB 4.36Å; A308-L314 HydrophobicContact CB-CD1 3.74Å; A308-L314 HydrophobicContact CB-CG 3.88Å; A308-L314 PolarHBondContact O-N 3.34Å; V309-L314 WeakPolarHBondContact CA-O 3.41Å; V309-L314 HydrophobicContact CG2-CB 3.88Å; L314-F326 HydrophobicContact CD1-CB 4.26Å; L314-Q327 CarbonylContact C-O 3.29Å; L314-Q327 WeakPolarHBondContact CA-O 3.35Å; L314-Q327 WeakPolarHBondContact CD2-O 3.47Å; L314-L328 HydrophobicContact CD2-CB 4.39Å; L314-L328 HydrophobicContact CD2-CD1 3.91Å; L314-L337 HydrophobicContact CD1-CD2 4.22Å; L314-L337 HydrophobicContact CD2-CD2 3.93Å; L314-L337 HydrophobicContact CG-CD2 4.16Å; L314-I346 HydrophobicContact CD1-CG2 4.15Å; L314-I350 HydrophobicContact CD1-CD1 4.16Å; L314-I350 HydrophobicContact CD2-CD1 3.56Å
315E91.3Very high88.5Confident80 Ų8062 Ų6237%0.37433%0.33SS..EExtended strand (participates in β ladder)trans-117.8133.6173.2-167.5163.2136.100109.6F326 Q327 K329E315-F326 CarbonylContact O-C 3.53Å; E315-F326 WeakPolarHBondContact O-CA 3.47Å; E315-Q327 HydrophobicContact CB-CB 4.43Å; E315-Q327 PolarHBondContact N-O 3.43Å; E315-Q327 PolarHBondContact O-N 2.84Å; E315-K329 IonicContact OE2-NZ 2.71Å; E315-K329 PolarHBondContact OE2-NZ 2.87Å
316Q92.3Very high88.5Confident54 Ų5462 Ų6225%0.25233%0.33SS..EExtended strand (participates in β ladder)trans-94.9100.4-178.3-179.3170.524.900110.3V309 G321 S323 F326V309-Q316 HydrophobicContact CG2-CB 4.47Å; Q316-G321 PolarHBondContact NE2-O 3.21Å; Q316-G321 PolarHBondContact OE1-O 3.45Å; Q316-S323 PolarHBondContact NE2-O 3.22Å; Q316-F326 HydrophobicContact CB-CD1 4.49Å; Q316-F326 HydrophobicContact CB-CE1 4.44Å; Q316-F326 HydrophobicContact CG-CE1 4.41Å
317I90.8Very high88.5Confident80 Ų8061.5 Ų61.541%0.4133%0.327SS..EExtended strand (participates in β ladder)trans-76.5-28.9178.7-64.1178000111.4E275 T325 Q327E275-I317 VanDerWaalsContact CD-CD1 3.4Å; E275-I317 HydrophobicContact CG-CD1 4.04Å; E275-I317 VanDerWaalsContact OE1-CD1 3.26Å; E275-I317 WeakPolarHBondContact OE1-CD1 3.4Å; I317-T325 PolarHBondContact N-O 3Å; I317-T325 VanDerWaalsContact N-O 3.11Å; I317-Q327 HydrophobicContact CD1-CB 3.71Å; I317-Q327 HydrophobicContact CD1-CG 4.26Å; I317-Q327 HydrophobicContact CG1-CB 4.18Å
318T89Confident88.4Confident80 Ų8054.8 Ų54.849%0.49130%0.303SS..EExtended strand (participates in β ladder)trans-149.1142.2-174.7-48.30000111G324 T325T318-G324 CarbonylContact O-C 3.57Å; T318-G324 VanDerWaalsContact O-CA 3.29Å; T318-G324 WeakPolarHBondContact O-CA 3.26Å; T318-T325 PolarHBondContact O-N 3.35Å
319G83.7Confident88.2Confident46 Ų4659 Ų5947%0.47432%0.321SS..SBendtrans103.9-171.9-179.600000112.8
320K81.9Confident87.4Confident200 Ų20063.3 Ų63.387%0.8734%0.337SS*.SBendtrans-135.5134.1171.8-66.8-172.7178.1-174.60108.4
321G79.5Confident85.6Confident31 Ų3160.2 Ų60.232%0.3233%0.33SS..SBendtrans58.2-144.2-176.600000112.5Q306 Q316 S323Q306-G321 VanDerWaalsContact OE1-C 3.3Å; Q306-G321 VanDerWaalsContact OE1-CA 3.3Å; Q316-G321 PolarHBondContact NE2-O 3.21Å; Q316-G321 PolarHBondContact OE1-O 3.45Å; G321-S323 PolarHBondContact O-N 2.94Å
322A76.9Confident84.1Confident20 Ų2056 Ų5617%0.16533%0.334CS..SBendtrans-73.141.1-173.800000116.6K302 Q306K302-A322 HydrophobicContact CB-CB 3.52Å; K302-A322 HydrophobicContact CD-CB 4.44Å; K302-A322 HydrophobicContact CG-CB 3.85Å; K302-A322 VanDerWaalsContact O-CB 3.32Å; K302-A322 WeakPolarHBondContact O-CB 3.48Å; Q306-A322 HydrophobicContact CB-CB 4.3Å
323S84.2Confident82.4Confident60 Ų6063.5 Ų63.542%0.4236%0.361SS..  trans-148154.2-178.3-167.60000112.5Q316 G321Q316-S323 PolarHBondContact NE2-O 3.22Å; G321-S323 PolarHBondContact O-N 2.94Å
324G89.6Confident81.1Confident19 Ų1970.4 Ų70.420%0.19639%0.39CS..SBendtrans100.9-137.1178.400000113.3S277 Y278 T318S277-G324 CarbonylContact C-O 3.57Å; S277-G324 VanDerWaalsContact CA-O 3.25Å; S277-G324 WeakPolarHBondContact CA-O 3.41Å; Y278-G324 PolarHBondContact N-O 3.18Å; T318-G324 CarbonylContact O-C 3.57Å; T318-G324 VanDerWaalsContact O-CA 3.29Å; T318-G324 WeakPolarHBondContact O-CA 3.26Å
325T92.3Very high80Confident34 Ų3473 Ų7321%0.20941%0.408CS..EExtended strand (participates in β ladder)trans-115.8128.2-170.7-57.80000111.5E275 I317 T318E275-T325 HydrophobicContact CB-CG2 4.24Å; I317-T325 PolarHBondContact N-O 3Å; I317-T325 VanDerWaalsContact N-O 3.11Å; T318-T325 PolarHBondContact O-N 3.35Å
326F92.9Very high78.9Confident1 Ų172.9 Ų72.90%0.00441%0.409CS..EExtended strand (participates in β ladder)trans-115125.9-177.9-57.6-86000110.2E275 A276 I281 L305 V309 L314 E315 Q316E275-F326 WeakPolarHBondContact CA-O 3.17Å; A276-F326 PolarHBondContact N-O 2.75Å; A276-F326 PolarHBondContact O-N 3.37Å; I281-F326 HydrophobicContact CD1-CD2 4.17Å; L305-F326 HydrophobicContact CB-CE1 4.32Å; L305-F326 HydrophobicContact CB-CZ 4.21Å; L305-F326 HydrophobicContact CD1-CD2 4.28Å; L305-F326 HydrophobicContact CD1-CE2 3.87Å; L305-F326 HydrophobicContact CD1-CZ 4.26Å; L305-F326 HydrophobicContact CD2-CD1 4.49Å; L305-F326 HydrophobicContact CD2-CD2 4.12Å; L305-F326 HydrophobicContact CD2-CE2 4.4Å; L305-F326 HydrophobicContact CD2-CG 4.18Å; V309-F326 HydrophobicContact CG2-CD1 3.82Å; V309-F326 HydrophobicContact CG2-CE1 3.9Å; L314-F326 HydrophobicContact CD1-CB 4.26Å; E315-F326 CarbonylContact O-C 3.53Å; E315-F326 WeakPolarHBondContact O-CA 3.47Å; Q316-F326 HydrophobicContact CB-CD1 4.49Å; Q316-F326 HydrophobicContact CB-CE1 4.44Å; Q316-F326 HydrophobicContact CG-CE1 4.41Å
327Q91.9Very high78.2Confident47 Ų4770.3 Ų70.322%0.2240%0.397CS..EExtended strand (participates in β ladder)trans-94.6141.7169.9-168.5-17787.200109.5P273 K274 E275 L314 E315 I317 K329P273-Q327 HydrophobicContact CB-CG 4.31Å; P273-Q327 VanDerWaalsContact CB-NE2 3.34Å; K274-Q327 WeakPolarHBondContact O-CA 3.21Å; E275-Q327 HydrophobicContact CG-CB 3.73Å; E275-Q327 HydrophobicContact CG-CG 3.69Å; E275-Q327 PolarHBondContact OE1-NE2 3.25Å; L314-Q327 CarbonylContact C-O 3.29Å; L314-Q327 WeakPolarHBondContact CA-O 3.35Å; L314-Q327 WeakPolarHBondContact CD2-O 3.47Å; E315-Q327 HydrophobicContact CB-CB 4.43Å; E315-Q327 PolarHBondContact N-O 3.43Å; E315-Q327 PolarHBondContact O-N 2.84Å; I317-Q327 HydrophobicContact CD1-CB 3.71Å; I317-Q327 HydrophobicContact CD1-CG 4.26Å; I317-Q327 HydrophobicContact CG1-CB 4.18Å; Q327-K329 PolarHBondContact O-N 3.4Å
328L90.1Very high77.1Confident16 Ų1668.8 Ų68.88%0.08440%0.401CS..EExtended strand (participates in β ladder)trans-78.6112.4171.2-178.367.6000110.2K274 L314 P335 L337 L347 I350K274-L328 HydrophobicContact CB-CB 4.2Å; K274-L328 HydrophobicContact CD-CD2 4.3Å; K274-L328 PolarHBondContact O-N 2.9Å; L314-L328 HydrophobicContact CD2-CB 4.39Å; L314-L328 HydrophobicContact CD2-CD1 3.91Å; L328-P335 HydrophobicContact CD1-CB 4.29Å; L328-P335 HydrophobicContact CD2-CB 3.99Å; L328-P335 HydrophobicContact CD2-CG 4.01Å; L328-L337 HydrophobicContact CD1-CB 3.99Å; L328-L337 HydrophobicContact CD1-CD2 4.44Å; L328-L347 HydrophobicContact CD1-CD1 4.06Å; L328-L347 HydrophobicContact CD2-CD1 3.56Å; L328-L347 HydrophobicContact CG-CD1 4.47Å; L328-I350 HydrophobicContact CB-CG2 4.3Å
329K86.2Confident76.6Confident89 Ų8968.7 Ų68.739%0.38742%0.416SS..  trans-69.4135176.2-150.1-176-170.5890109G312 Q313 E315 Q327G312-K329 WeakPolarHBondContact O-CD 3.47Å; Q313-K329 PolarHBondContact O-N 3.48Å; Q313-K329 VanDerWaalsContact O-N 3.17Å; E315-K329 IonicContact OE2-NZ 2.71Å; E315-K329 PolarHBondContact OE2-NZ 2.87Å; Q327-K329 PolarHBondContact O-N 3.4Å
330K75.1Confident76.7Confident129 Ų12968.9 Ų68.956%0.56141%0.41SS*.BIsolated β-bridgetrans-91.3141.6178.5-55.3-168.6-152.6173.80111E272E272-K330 WeakPolarHBondContact OE1-CE 3.34Å; E272-K330 IonicContact OE1-NZ 3.67Å; E272-K330 PolarHBondContact OE1-NZ 3.19Å; E272-K330 IonicContact OE2-NZ 3.68Å; E272-K330 PolarHBondContact OE2-NZ 3.24Å
331S53.5Low77Confident63 Ų6365.8 Ų65.844%0.44140%0.402SS..SBendtrans-145.579.8171.1-51.10000108.3L336S331-L336 VanDerWaalsContact OG-CD1 3.3Å; S331-L336 WeakPolarHBondContact OG-CD1 3.45Å
332G57.5Low77.5Confident65 Ų6565.3 Ų65.367%0.6739%0.392SS*.SBendtrans81.6-166.5-165.900000113.4K334G332-K334 VanDerWaalsContact C-N 3.27Å; G332-K334 PolarHBondContact O-N 2.93Å
333E53Low78.1Confident188 Ų18865.4 Ų65.488%0.87939%0.389SS*.SBendtrans-73.4-14.9-176.4-62.3-165.8136.100114.3
334K61.9Low78.5Confident173 Ų17366.4 Ų66.475%0.75238%0.384SS*.SBendtrans-106.2135.7-177.9-66.4176.6-175.51710110.5G332G332-K334 VanDerWaalsContact C-N 3.27Å; G332-K334 PolarHBondContact O-N 2.93Å
335P66.3Low78.6Confident59 Ų5965.5 Ų65.538%0.38338%0.375SS..BIsolated β-bridgetrans-58.1135.1167.8-26.336.7000112.2L328 L337 L347L328-P335 HydrophobicContact CD1-CB 4.29Å; L328-P335 HydrophobicContact CD2-CB 3.99Å; L328-P335 HydrophobicContact CD2-CG 4.01Å; P335-L337 PolarHBondContact O-N 3.37Å; P335-L347 HydrophobicContact CB-CD1 3.6Å; P335-L347 HydrophobicContact CB-CD2 3.87Å; P335-L347 HydrophobicContact CB-CG 4.41Å; P335-L347 HydrophobicContact CG-CD1 3.72Å; P335-L347 HydrophobicContact CG-CD2 4.06Å
336L69.2Low78.6Confident76 Ų7663.9 Ų63.940%0.39837%0.365SS..SBendtrans-69.1-20.2170.1-66.1-173.2000113.2Q313 S331 G338Q313-L336 HydrophobicContact CB-CB 4.27Å; Q313-L336 HydrophobicContact CG-CB 3.87Å; Q313-L336 HydrophobicContact CG-CD1 4.47Å; Q313-L336 PolarHBondContact NE2-O 3.14Å; S331-L336 VanDerWaalsContact OG-CD1 3.3Å; S331-L336 WeakPolarHBondContact OG-CD1 3.45Å; L336-G338 VanDerWaalsContact C-N 3.3Å; L336-G338 PolarHBondContact O-N 3.21Å
337L75.9Confident78.6Confident0 Ų064.5 Ų64.50%037%0.368CS..  trans-79.673.3-174.9-169.466.2000111.8A308 Q313 L314 L328 P335 E343 I346 L347A308-L337 HydrophobicContact CB-CD1 3.74Å; Q313-L337 HydrophobicContact CB-CD1 4.34Å; L314-L337 HydrophobicContact CD1-CD2 4.22Å; L314-L337 HydrophobicContact CD2-CD2 3.93Å; L314-L337 HydrophobicContact CG-CD2 4.16Å; L328-L337 HydrophobicContact CD1-CB 3.99Å; L328-L337 HydrophobicContact CD1-CD2 4.44Å; P335-L337 PolarHBondContact O-N 3.37Å; L337-E343 HydrophobicContact CD1-CB 3.78Å; L337-E343 HydrophobicContact CD1-CG 3.79Å; L337-E343 HydrophobicContact CG-CB 4.06Å; L337-I346 HydrophobicContact CD2-CB 4.08Å; L337-I346 HydrophobicContact CD2-CG2 3.69Å; L337-L347 HydrophobicContact CD2-CB 4.19Å; L337-L347 HydrophobicContact CG-CB 4.4Å; L337-L347 WeakPolarHBondContact O-CD2 3.1Å
338G69.3Low78.6Confident49 Ų4962.2 Ų62.251%0.50536%0.357SS..  trans-151.8139.9176.400000111.7L336L336-G338 VanDerWaalsContact C-N 3.3Å; L336-G338 PolarHBondContact O-N 3.21Å
339G77.4Confident78.7Confident77 Ų7761.5 Ų61.579%0.79435%0.353SS*.SBendtrans158.5-73.2-176.800000110.5
340S85.4Confident79.1Confident50 Ų5057.2 Ų57.235%0.3534%0.335SS..SBendtrans-83.1158.1173.272.80000113.4M342 E343 Y344S340-M342 PolarHBondContact O-N 3.39Å; S340-M342 PolarHBondContact OG-N 2.94Å; S340-E343 WeakPolarHBondContact CB-OE2 3.31Å; S340-E343 PolarHBondContact N-OE2 2.9Å; S340-E343 PolarHBondContact O-N 2.98Å; S340-E343 VanDerWaalsContact OG-CD 3.25Å; S340-E343 WeakPolarHBondContact OG-CG 3.48Å; S340-E343 PolarHBondContact OG-N 3.34Å; S340-E343 VanDerWaalsContact OG-N 3.11Å; S340-E343 PolarHBondContact OG-OE2 3.24Å; S340-Y344 WeakPolarHBondContact O-CB 3.27Å; S340-Y344 PolarHBondContact O-N 3.1Å
341L88.6Confident79.8Confident135 Ų13551.6 Ų51.671%0.70731%0.312SS*.Hα-helixtrans-56.1-27.9169.4-68.5170.5000113L292 A345L292-L341 HydrophobicContact CD2-CB 4.43Å; L341-A345 VanDerWaalsContact O-CB 3.23Å; L341-A345 WeakPolarHBondContact O-CB 3.18Å; L341-A345 PolarHBondContact O-N 3.19Å; L341-A345 VanDerWaalsContact O-N 3.14Å
342M90.1Very high81.7Confident21 Ų2148.6 Ų48.610%0.10329%0.291CS..Hα-helixtrans-77.5-46.3-179.6-170.269.9-118.300111V285 L292 V294 L301 A304 S340 A345 I346V285-M342 HydrophobicContact CG1-CE 4.17Å; L292-M342 HydrophobicContact CD1-CE 4.26Å; L292-M342 HydrophobicContact CD1-SD 3.93Å; L292-M342 HydrophobicContact CD2-SD 4.28Å; L292-M342 HydrophobicContact CG-SD 4.49Å; V294-M342 HydrophobicContact CG2-CE 4.34Å; L301-M342 HydrophobicContact CB-CE 4.09Å; L301-M342 HydrophobicContact CD1-CE 3.57Å; L301-M342 HydrophobicContact CG-CE 4.42Å; A304-M342 HydrophobicContact CB-CG 3.5Å; S340-M342 PolarHBondContact O-N 3.39Å; S340-M342 PolarHBondContact OG-N 2.94Å; M342-A345 PolarHBondContact O-N 3.07Å; M342-I346 HydrophobicContact CE-CD1 4.02Å; M342-I346 HydrophobicContact CE-CG1 3.89Å; M342-I346 HydrophobicContact CG-CD1 4.34Å; M342-I346 VanDerWaalsContact O-CG1 3.29Å; M342-I346 WeakPolarHBondContact O-CG1 3.27Å; M342-I346 PolarHBondContact O-N 3.07Å
343E90.4Very high83.3Confident23 Ų2345.7 Ų45.711%0.10726%0.26CS..Hα-helixtrans-63.5-44.2175.9-69.9153.214500110.9R311 L337 S340 A345 I346 L347R311-E343 IonicContact CZ-OE1 2.71Å; R311-E343 IonicContact NH1-OE1 2.65Å; R311-E343 PolarHBondContact NH1-OE1 3.46Å; L337-E343 HydrophobicContact CD1-CB 3.78Å; L337-E343 HydrophobicContact CD1-CG 3.79Å; L337-E343 HydrophobicContact CG-CB 4.06Å; S340-E343 WeakPolarHBondContact CB-OE2 3.31Å; S340-E343 PolarHBondContact N-OE2 2.9Å; S340-E343 PolarHBondContact O-N 2.98Å; S340-E343 VanDerWaalsContact OG-CD 3.25Å; S340-E343 WeakPolarHBondContact OG-CG 3.48Å; S340-E343 PolarHBondContact OG-N 3.34Å; S340-E343 VanDerWaalsContact OG-N 3.11Å; S340-E343 PolarHBondContact OG-OE2 3.24Å; E343-A345 VanDerWaalsContact C-N 3.32Å; E343-A345 PolarHBondContact O-N 3.05Å; E343-I346 PolarHBondContact O-N 3.24Å; E343-I346 VanDerWaalsContact O-N 3.16Å; E343-L347 WeakPolarHBondContact O-CB 3.44Å; E343-L347 PolarHBondContact O-N 3.01Å
344Y90.9Very high85.1Confident81 Ų8137.1 Ų37.132%0.31822%0.22SC..Hα-helixtrans-61.9-37174.6-177.8-98.3000113Y289 S340 S348 F423Y289-Y344 HydrophobicContact CE1-CD1 4.32Å; Y289-Y344 VanDerWaalsContact OH-CD1 3.31Å; Y289-Y344 WeakPolarHBondContact OH-CD1 3.48Å; Y289-Y344 WeakPolarHBondContact OH-CE1 2.74Å; S340-Y344 WeakPolarHBondContact O-CB 3.27Å; S340-Y344 PolarHBondContact O-N 3.1Å; Y344-S348 WeakPolarHBondContact O-CB 3.33Å; Y344-S348 PolarHBondContact O-N 3.48Å; Y344-S348 PolarHBondContact O-OG 3.48Å; Y344-F423 HydrophobicContact CE2-CD2 4.41Å; Y344-F423 VanDerWaalsContact OH-CB 3.3Å; Y344-F423 WeakPolarHBondContact OH-CB 3.26Å
345A92.3Very high86.3Confident0 Ų033 Ų330%020%0.204CC..Hα-helixtrans-68.4-38174.400000112.3V285 Y289 L292 L341 M342 E343 A349V285-A345 HydrophobicContact CG1-CB 4.18Å; V285-A345 HydrophobicContact CG2-CB 4.12Å; Y289-A345 HydrophobicContact CD1-CB 4.05Å; Y289-A345 HydrophobicContact CD2-CB 3.61Å; Y289-A345 HydrophobicContact CE1-CB 4.07Å; Y289-A345 HydrophobicContact CE2-CB 3.62Å; Y289-A345 HydrophobicContact CG-CB 3.81Å; L292-A345 HydrophobicContact CD1-CB 3.63Å; L341-A345 VanDerWaalsContact O-CB 3.23Å; L341-A345 WeakPolarHBondContact O-CB 3.18Å; L341-A345 PolarHBondContact O-N 3.19Å; L341-A345 VanDerWaalsContact O-N 3.14Å; M342-A345 PolarHBondContact O-N 3.07Å; E343-A345 VanDerWaalsContact C-N 3.32Å; E343-A345 PolarHBondContact O-N 3.05Å; A345-A349 VanDerWaalsContact O-CB 3.31Å; A345-A349 WeakPolarHBondContact O-CB 3.36Å; A345-A349 PolarHBondContact O-N 3Å
346I92.8Very high87.3Confident0 Ų033.9 Ų33.90%021%0.21CC..Hα-helixtrans-65.9-46.3173.2-66.2161.5000110.5I281 L301 A304 L305 L314 L337 M342 E343 S348 A349 I350I281-I346 HydrophobicContact CG2-CG1 4.39Å; L301-I346 HydrophobicContact CD1-CD1 3.9Å; L301-I346 HydrophobicContact CD1-CG1 3.68Å; A304-I346 HydrophobicContact CB-CD1 3.83Å; L305-I346 HydrophobicContact CD2-CD1 4.12Å; L305-I346 HydrophobicContact CD2-CG1 4.38Å; L305-I346 HydrophobicContact CD2-CG2 3.68Å; L305-I346 HydrophobicContact CG-CD1 4.17Å; L314-I346 HydrophobicContact CD1-CG2 4.15Å; L337-I346 HydrophobicContact CD2-CB 4.08Å; L337-I346 HydrophobicContact CD2-CG2 3.69Å; M342-I346 HydrophobicContact CE-CD1 4.02Å; M342-I346 HydrophobicContact CE-CG1 3.89Å; M342-I346 HydrophobicContact CG-CD1 4.34Å; M342-I346 VanDerWaalsContact O-CG1 3.29Å; M342-I346 WeakPolarHBondContact O-CG1 3.27Å; M342-I346 PolarHBondContact O-N 3.07Å; E343-I346 PolarHBondContact O-N 3.24Å; E343-I346 VanDerWaalsContact O-N 3.16Å; I346-S348 VanDerWaalsContact C-N 3.33Å; I346-S348 PolarHBondContact O-N 2.93Å; I346-A349 WeakPolarHBondContact O-CB 3.27Å; I346-A349 PolarHBondContact O-N 3.22Å; I346-A349 VanDerWaalsContact O-N 3.1Å; I346-I350 HydrophobicContact CG2-CD1 3.72Å; I346-I350 HydrophobicContact CG2-CG1 4.3Å; I346-I350 WeakPolarHBondContact O-CG1 3.38Å; I346-I350 PolarHBondContact O-N 3.41Å
347L91.8Very high88.3Confident13 Ų1330.7 Ų30.77%0.06819%0.193CC..Hα-helixtrans-57.2-47.1175.4175.162000111.3L328 P335 L337 E343 A349 I350 A351 F423L328-L347 HydrophobicContact CD1-CD1 4.06Å; L328-L347 HydrophobicContact CD2-CD1 3.56Å; L328-L347 HydrophobicContact CG-CD1 4.47Å; P335-L347 HydrophobicContact CB-CD1 3.6Å; P335-L347 HydrophobicContact CB-CD2 3.87Å; P335-L347 HydrophobicContact CB-CG 4.41Å; P335-L347 HydrophobicContact CG-CD1 3.72Å; P335-L347 HydrophobicContact CG-CD2 4.06Å; L337-L347 HydrophobicContact CD2-CB 4.19Å; L337-L347 HydrophobicContact CG-CB 4.4Å; L337-L347 WeakPolarHBondContact O-CD2 3.1Å; E343-L347 WeakPolarHBondContact O-CB 3.44Å; E343-L347 PolarHBondContact O-N 3.01Å; L347-A349 VanDerWaalsContact C-N 3.3Å; L347-A349 PolarHBondContact O-N 3.11Å; L347-I350 PolarHBondContact O-N 3.13Å; L347-A351 VanDerWaalsContact O-CB 3.3Å; L347-A351 WeakPolarHBondContact O-CB 3.44Å; L347-A351 PolarHBondContact O-N 3.16Å; L347-F423 HydrophobicContact CD2-CZ 4.22Å; L347-F423 HydrophobicContact CG-CZ 4.24Å
348S92.3Very high89.1Confident0 Ų032.7 Ų32.70%021%0.205CC..Hα-helixtrans-58.8-42175.1-59.10000111.9Y289 Y344 I346 A352 L422Y289-S348 PolarHBondContact OH-OG 2.68Å; Y344-S348 WeakPolarHBondContact O-CB 3.33Å; Y344-S348 PolarHBondContact O-N 3.48Å; Y344-S348 PolarHBondContact O-OG 3.48Å; I346-S348 VanDerWaalsContact C-N 3.33Å; I346-S348 PolarHBondContact O-N 2.93Å; S348-A352 VanDerWaalsContact O-CB 3.26Å; S348-A352 WeakPolarHBondContact O-CB 3.47Å; S348-A352 PolarHBondContact O-N 3.3Å; S348-L422 VanDerWaalsContact O-CD1 3.27Å; S348-L422 WeakPolarHBondContact O-CD1 3.43Å
349A93.7Very high90.2Very high0 Ų030.6 Ų30.60%018%0.182CC..Hα-helixtrans-68.2-45.9179.700000112.7I281 Y284 V285 A345 I346 L347 A352 M353I281-A349 HydrophobicContact CB-CB 4.31Å; I281-A349 HydrophobicContact CG1-CB 4.34Å; I281-A349 HydrophobicContact CG2-CB 3.97Å; Y284-A349 VanDerWaalsContact CD1-CA 3.44Å; Y284-A349 HydrophobicContact CD1-CB 3.57Å; Y284-A349 HydrophobicContact CE1-CB 4.4Å; Y284-A349 HydrophobicContact CG-CB 3.92Å; V285-A349 HydrophobicContact CG2-CB 4.1Å; A345-A349 VanDerWaalsContact O-CB 3.31Å; A345-A349 WeakPolarHBondContact O-CB 3.36Å; A345-A349 PolarHBondContact O-N 3Å; I346-A349 WeakPolarHBondContact O-CB 3.27Å; I346-A349 PolarHBondContact O-N 3.22Å; I346-A349 VanDerWaalsContact O-N 3.1Å; L347-A349 VanDerWaalsContact C-N 3.3Å; L347-A349 PolarHBondContact O-N 3.11Å; A349-A352 PolarHBondContact O-N 3.07Å; A349-M353 WeakPolarHBondContact O-CB 3.33Å; A349-M353 WeakPolarHBondContact O-CG 3.4Å; A349-M353 PolarHBondContact O-N 3.04Å
350I92.8Very high90.9Very high0 Ų029 Ų290%016%0.159CC..Hα-helixtrans-62.9-44.6177.1-65.1168.8000109.8K274 A276 I281 L314 L328 I346 L347 N354K274-I350 HydrophobicContact CB-CG2 4.22Å; K274-I350 WeakPolarHBondContact O-CG2 3.3Å; A276-I350 HydrophobicContact CB-CB 4.42Å; A276-I350 HydrophobicContact CB-CG1 4.12Å; I281-I350 HydrophobicContact CD1-CD1 4.27Å; I281-I350 HydrophobicContact CD1-CG1 3.81Å; I281-I350 HydrophobicContact CG1-CG1 4.17Å; L314-I350 HydrophobicContact CD1-CD1 4.16Å; L314-I350 HydrophobicContact CD2-CD1 3.56Å; L328-I350 HydrophobicContact CB-CG2 4.3Å; I346-I350 HydrophobicContact CG2-CD1 3.72Å; I346-I350 HydrophobicContact CG2-CG1 4.3Å; I346-I350 WeakPolarHBondContact O-CG1 3.38Å; I346-I350 PolarHBondContact O-N 3.41Å; L347-I350 PolarHBondContact O-N 3.13Å; I350-N354 WeakPolarHBondContact O-CB 3.43Å; I350-N354 PolarHBondContact O-N 2.89Å
351A91.6Very high91.2Very high10 Ų1026.8 Ų26.88%0.08314%0.144CC..Hα-helixtrans-60.6-47.2175.800000112.5T268 L347 L422T268-A351 WeakPolarHBondContact CG2-O 3.3Å; L347-A351 VanDerWaalsContact O-CB 3.3Å; L347-A351 WeakPolarHBondContact O-CB 3.44Å; L347-A351 PolarHBondContact O-N 3.16Å; A351-L422 HydrophobicContact CB-CD1 3.97Å
352A92.8Very high91.4Very high0 Ų025.2 Ų25.20%014%0.14CC..Hα-helixtrans-70.6-43.1-178.700000113.5Y284 S348 A349 K357 P417 L422Y284-A352 HydrophobicContact CD2-CB 3.74Å; Y284-A352 HydrophobicContact CE1-CB 4.44Å; Y284-A352 HydrophobicContact CE2-CB 3.16Å; S348-A352 VanDerWaalsContact O-CB 3.26Å; S348-A352 WeakPolarHBondContact O-CB 3.47Å; S348-A352 PolarHBondContact O-N 3.3Å; A349-A352 PolarHBondContact O-N 3.07Å; A352-K357 WeakPolarHBondContact O-CE 3.32Å; A352-K357 PolarHBondContact O-NZ 3.24Å; A352-P417 HydrophobicContact CB-CG 4.44Å; A352-L422 HydrophobicContact CB-CD1 3.89Å
353M90.8Very high91.5Very high4 Ų425.6 Ų25.62%0.0215%0.146CC..Hα-helixtrans-90.8-4.9-166.6-58.8-56.4-60.300114.4A276 L280 Y284 A349 E355 Y416A276-M353 HydrophobicContact CB-CB 4.24Å; L280-M353 HydrophobicContact CB-CB 3.95Å; L280-M353 HydrophobicContact CB-CE 4.06Å; L280-M353 HydrophobicContact CB-CG 4.22Å; L280-M353 HydrophobicContact CD1-CB 4.48Å; L280-M353 HydrophobicContact CD2-CE 3.83Å; L280-M353 HydrophobicContact CG-CE 4.4Å; Y284-M353 HydrophobicContact CD2-CG 4.04Å; Y284-M353 HydrophobicContact CD2-SD 3.68Å; Y284-M353 HydrophobicContact CG-CG 4.19Å; Y284-M353 HydrophobicContact CG-SD 4.29Å; A349-M353 WeakPolarHBondContact O-CB 3.33Å; A349-M353 WeakPolarHBondContact O-CG 3.4Å; A349-M353 PolarHBondContact O-N 3.04Å; M353-E355 PolarHBondContact O-N 3.28Å; M353-Y416 HydrophobicContact CE-CD1 3.59Å; M353-Y416 HydrophobicContact CE-CD2 3.93Å; M353-Y416 HydrophobicContact CE-CE1 3.52Å; M353-Y416 HydrophobicContact CE-CE2 3.88Å; M353-Y416 HydrophobicContact CE-CG 3.81Å; M353-Y416 HydrophobicContact SD-CD1 3.45Å; M353-Y416 WeakPolarHBondContact SD-CD1 3.49Å; M353-Y416 HydrophobicContact SD-CD2 4.17Å; M353-Y416 HydrophobicContact SD-CE1 4.02Å; M353-Y416 HydrophobicContact SD-CG 3.55Å; M353-Y416 VanDerWaalsContact SD-CG 3.55Å
354N90.8Very high91.6Very high8 Ų824.5 Ų24.54%0.04314%0.141CC..  trans-53.5124.4177.6-168.434000112.5C271 P273 E275 I350 K357C271-N354 PolarHBondContact SG-ND2 3.18Å; C271-N354 VanDerWaalsContact SG-ND2 3.37Å; P273-N354 PolarHBondContact O-ND2 3.33Å; E275-N354 PolarHBondContact N-OD1 3.32Å; E275-N354 VanDerWaalsContact O-CA 3.26Å; E275-N354 WeakPolarHBondContact O-CA 3.25Å; E275-N354 PolarHBondContact O-OD1 3.14Å; I350-N354 WeakPolarHBondContact O-CB 3.43Å; I350-N354 PolarHBondContact O-N 2.89Å; N354-K357 WeakPolarHBondContact O-CE 3.45Å; N354-K357 WeakPolarHBondContact O-CG 3.43Å; N354-K357 PolarHBondContact O-NZ 2.89Å
355E86.8Confident91.6Very high87 Ų8723.2 Ų23.241%0.40714%0.137SC..SBendtrans-146.2135.8177.9-72.5-172.6171.300109.6M353 P414 Y416M353-E355 PolarHBondContact O-N 3.28Å; E355-P414 WeakPolarHBondContact OE1-CB 3.5Å; E355-Y416 HydrophobicContact CG-CE1 4.39Å; E355-Y416 WeakPolarHBondContact OE1-CE1 3.22Å; E355-Y416 VanDerWaalsContact OE1-CZ 3.24Å; E355-Y416 PolarHBondContact OE1-OH 3.17Å; E355-Y416 PolarHBondContact OE2-OH 2.78Å
356P87.3Confident91.6Very high78 Ų7828.8 Ų28.851%0.50616%0.161SC..SBendcis-77.3133.94.331.1-34.6000113.4C271 T358 Q410C271-P356 PolarHBondContact SG-O 3.21Å; P356-T358 HydrophobicContact CB-CG2 4.27Å; P356-T358 HydrophobicContact CG-CG2 4.32Å; P356-T358 PolarHBondContact O-N 2.85Å; P356-Q410 HydrophobicContact CB-CG 4.37Å
357K91Very high91.5Very high8 Ų829.9 Ų29.94%0.03517%0.166CC..  trans-74.996.2172.3-66.8-170171.166.40109.9F267 T268 A352 N354 Q410 L411 Y415F267-K357 WeakPolarHBondContact CD1-O 3.36Å; T268-K357 VanDerWaalsContact OG1-CE 3.24Å; T268-K357 WeakPolarHBondContact OG1-CE 3.48Å; A352-K357 WeakPolarHBondContact O-CE 3.32Å; A352-K357 PolarHBondContact O-NZ 3.24Å; N354-K357 WeakPolarHBondContact O-CE 3.45Å; N354-K357 WeakPolarHBondContact O-CG 3.43Å; N354-K357 PolarHBondContact O-NZ 2.89Å; K357-Q410 WeakPolarHBondContact O-CA 3.29Å; K357-L411 HydrophobicContact CB-CB 4.42Å; K357-L411 HydrophobicContact CB-CD1 3.97Å; K357-L411 HydrophobicContact CB-CG 4.07Å; K357-L411 HydrophobicContact CD-CD1 3.98Å; K357-L411 PolarHBondContact O-N 2.9Å; K357-Y415 WeakPolarHBondContact CE-O 3.13Å; K357-Y415 PolarHBondContact NZ-O 2.88Å
358T91.8Very high91.4Very high42 Ų4229.3 Ų29.326%0.25816%0.163SC..EExtended strand (participates in β ladder)trans-105.2154.4173.274.40000110.9C271 P356 F409 Q410C271-T358 WeakPolarHBondContact CA-O 3.21Å; C271-T358 VanDerWaalsContact CB-O 3.26Å; C271-T358 WeakPolarHBondContact CB-O 3.4Å; C271-T358 PolarHBondContact SG-N 3.19Å; C271-T358 VanDerWaalsContact SG-N 3.38Å; C271-T358 PolarHBondContact SG-O 3.13Å; C271-T358 VanDerWaalsContact SG-O 3.38Å; P356-T358 HydrophobicContact CB-CG2 4.27Å; P356-T358 HydrophobicContact CG-CG2 4.32Å; P356-T358 PolarHBondContact O-N 2.85Å; T358-F409 CarbonylContact C-O 3.35Å; T358-F409 VanDerWaalsContact CA-O 3.3Å; T358-F409 WeakPolarHBondContact CA-O 3.41Å; T358-Q410 HydrophobicContact CG2-CB 4.16Å; T358-Q410 HydrophobicContact CG2-CG 4.09Å
359C92Very high91.3Very high5 Ų532.4 Ų32.43%0.03418%0.179CC..EExtended strand (participates in β ladder)trans-154.8142.7174.4-1700000111.4F267 L270 L364 T408 F409F267-C359 HydrophobicContact CD1-CB 3.72Å; F267-C359 HydrophobicContact CD2-CB 4.11Å; F267-C359 HydrophobicContact CE1-CB 3.65Å; F267-C359 HydrophobicContact CE2-CB 4.05Å; F267-C359 HydrophobicContact CG-CB 3.97Å; F267-C359 HydrophobicContact CZ-CB 3.8Å; L270-C359 VanDerWaalsContact CB-SG 3.53Å; C359-L364 HydrophobicContact CB-CD2 4.33Å; C359-L364 HydrophobicContact CB-CG 4.32Å; C359-T408 WeakPolarHBondContact O-CA 3.18Å; C359-F409 PolarHBondContact N-O 3.02Å; C359-F409 PolarHBondContact O-N 3.08Å
360S93.1Very high91Very high44 Ų4437.8 Ų37.831%0.30820%0.204SC..EExtended strand (participates in β ladder)trans-75.8147.2172.777.30000111.6T362 A363 L364S360-T362 PolarHBondContact O-N 2.93Å; S360-A363 PolarHBondContact O-N 3.24Å; S360-A363 WeakPolarHBondContact OG-CB 3.37Å; S360-A363 PolarHBondContact OG-N 3.37Å; S360-A363 VanDerWaalsContact OG-N 3.09Å; S360-L364 WeakPolarHBondContact O-CG 3.43Å; S360-L364 PolarHBondContact O-N 2.73Å; S360-L364 VanDerWaalsContact O-N 3.08Å
361T92.1Very high90.6Very high4 Ų441.6 Ų41.63%0.02522%0.224CC..Hα-helixtrans-59.8-29.5172.249.50000112.4K365 L388 S406 G407 F409T361-K365 VanDerWaalsContact O-CD 3.28Å; T361-K365 WeakPolarHBondContact O-CD 3.06Å; T361-K365 WeakPolarHBondContact O-CG 3.26Å; T361-K365 PolarHBondContact O-N 2.88Å; T361-L388 HydrophobicContact CG2-CD1 4.31Å; T361-S406 WeakPolarHBondContact OG1-CA 3.34Å; T361-G407 WeakPolarHBondContact CG2-O 3.38Å; T361-G407 PolarHBondContact N-O 3.35Å; T361-G407 PolarHBondContact OG1-N 2.93Å; T361-G407 PolarHBondContact OG1-O 2.85Å; T361-F409 HydrophobicContact CG2-CD2 3.66Å; T361-F409 HydrophobicContact CG2-CE2 3.48Å; T361-F409 VanDerWaalsContact CG2-CE2 3.48Å
362T92.3Very high90.2Very high102 Ų10244.3 Ų44.363%0.62624%0.235SC*.Hα-helixtrans-67.5-46.4176.2-520000111.6S360 L364 K365 K366S360-T362 PolarHBondContact O-N 2.93Å; T362-L364 PolarHBondContact O-N 3.24Å; T362-K365 PolarHBondContact O-N 2.98Å; T362-K366 PolarHBondContact O-N 2.85Å; T362-K366 VanDerWaalsContact O-N 3.07Å
363A92.7Very high89.4Confident28 Ų2849.3 Ų49.323%0.23127%0.267CS..Hα-helixtrans-62.7-41175.400000111.9L270 S360 K365 K366 Y367L270-A363 HydrophobicContact CD1-CB 4.19Å; L270-A363 HydrophobicContact CD2-CB 4.34Å; S360-A363 PolarHBondContact O-N 3.24Å; S360-A363 WeakPolarHBondContact OG-CB 3.37Å; S360-A363 PolarHBondContact OG-N 3.37Å; S360-A363 VanDerWaalsContact OG-N 3.09Å; A363-K365 PolarHBondContact O-N 2.95Å; A363-K366 PolarHBondContact O-N 2.8Å; A363-Y367 WeakPolarHBondContact O-CB 3.47Å; A363-Y367 PolarHBondContact O-N 3.43Å
364L91.8Very high88.5Confident0 Ų050.5 Ų50.50%028%0.281CS..Hα-helixtrans-62.9-38.6174.9-66169.8000112.7L263 A266 F267 L270 C359 S360 T362 V368 L384 L388L263-L364 HydrophobicContact CD2-CD2 4.04Å; A266-L364 HydrophobicContact CB-CD2 4.2Å; F267-L364 HydrophobicContact CD2-CD2 3.72Å; F267-L364 HydrophobicContact CE2-CD1 3.57Å; F267-L364 HydrophobicContact CE2-CD2 3.54Å; F267-L364 HydrophobicContact CE2-CG 4.14Å; F267-L364 HydrophobicContact CZ-CD1 3.95Å; L270-L364 HydrophobicContact CD1-CD2 3.94Å; C359-L364 HydrophobicContact CB-CD2 4.33Å; C359-L364 HydrophobicContact CB-CG 4.32Å; S360-L364 WeakPolarHBondContact O-CG 3.43Å; S360-L364 PolarHBondContact O-N 2.73Å; S360-L364 VanDerWaalsContact O-N 3.08Å; T362-L364 PolarHBondContact O-N 3.24Å; L364-V368 WeakPolarHBondContact O-CB 3.4Å; L364-V368 VanDerWaalsContact O-CG2 3.23Å; L364-V368 WeakPolarHBondContact O-CG2 3.24Å; L364-V368 PolarHBondContact O-N 3.32Å; L364-L384 HydrophobicContact CB-CD2 4.24Å; L364-L388 HydrophobicContact CD1-CD1 4.28Å; L364-L388 HydrophobicContact CD1-CD2 4.33Å
365K91.8Very high87.6Confident55 Ų5557.1 Ų57.124%0.23932%0.322CS..Hα-helixtrans-63.2-47.3175.8-70.4160-171.8165.90110.9T361 T362 A363 L369 M381 L384 F405T361-K365 VanDerWaalsContact O-CD 3.28Å; T361-K365 WeakPolarHBondContact O-CD 3.06Å; T361-K365 WeakPolarHBondContact O-CG 3.26Å; T361-K365 PolarHBondContact O-N 2.88Å; T362-K365 PolarHBondContact O-N 2.98Å; A363-K365 PolarHBondContact O-N 2.95Å; K365-L369 WeakPolarHBondContact O-CG 3.08Å; K365-L369 PolarHBondContact O-N 2.75Å; K365-M381 HydrophobicContact CB-CE 4.41Å; K365-M381 HydrophobicContact CB-SD 3.74Å; K365-M381 HydrophobicContact CD-SD 4.46Å; K365-M381 HydrophobicContact CG-SD 3.61Å; K365-L384 HydrophobicContact CG-CD2 4.06Å; K365-F405 VanDerWaalsContact CE-CE1 3.49Å; K365-F405 HydrophobicContact CG-CZ 4.47Å; K365-F405 PolarHBondContact NZ-O 3.38Å
366K92.1Very high87.4Confident116 Ų11657.9 Ų57.950%0.50433%0.329SS..Hα-helixtrans-56.4-57.8175.3-179.5177.7174.8-175.70110.8T362 A363 V368 L369 E370T362-K366 PolarHBondContact O-N 2.85Å; T362-K366 VanDerWaalsContact O-N 3.07Å; A363-K366 PolarHBondContact O-N 2.8Å; K366-V368 VanDerWaalsContact C-N 3.34Å; K366-V368 PolarHBondContact O-N 2.83Å; K366-L369 PolarHBondContact O-N 2.92Å; K366-L369 VanDerWaalsContact O-N 3.1Å; K366-E370 WeakPolarHBondContact CE-OE1 3.41Å; K366-E370 VanDerWaalsContact CG-CD 3.5Å; K366-E370 VanDerWaalsContact CG-OE1 3.27Å; K366-E370 WeakPolarHBondContact CG-OE1 3.22Å; K366-E370 WeakPolarHBondContact CG-OE2 3.48Å; K366-E370 IonicContact NZ-OE1 2.62Å; K366-E370 WeakPolarHBondContact O-CG 3.42Å; K366-E370 PolarHBondContact O-N 2.85Å; K366-E370 VanDerWaalsContact O-N 3.08Å
367Y90.8Very high87.4Confident24 Ų2457.1 Ų57.19%0.09433%0.325CS..Hα-helixtrans-56.5-41.9-178.6-178.6-79.5000113.7V262 A266 R269 L270 A363 E370 N371V262-Y367 HydrophobicContact CG1-CE1 4.17Å; A266-Y367 HydrophobicContact CB-CD1 3.61Å; A266-Y367 HydrophobicContact CB-CD2 4.49Å; A266-Y367 HydrophobicContact CB-CE1 3.51Å; A266-Y367 HydrophobicContact CB-CE2 4.38Å; A266-Y367 HydrophobicContact CB-CG 4.14Å; R269-Y367 HydrophobicContact CB-CE2 4.13Å; R269-Y367 HydrophobicContact CG-CE2 4.3Å; L270-Y367 HydrophobicContact CD1-CD2 4.09Å; L270-Y367 HydrophobicContact CD1-CG 3.97Å; L270-Y367 HydrophobicContact CD2-CD2 4.09Å; L270-Y367 HydrophobicContact CG-CD2 4.05Å; L270-Y367 HydrophobicContact CG-CG 4.44Å; A363-Y367 WeakPolarHBondContact O-CB 3.47Å; A363-Y367 PolarHBondContact O-N 3.43Å; Y367-E370 PolarHBondContact O-N 3.3Å; Y367-N371 HydrophobicContact CD1-CB 4.24Å; Y367-N371 WeakPolarHBondContact CD2-ND2 3.34Å; Y367-N371 HydrophobicContact CE1-CB 3.88Å; Y367-N371 WeakPolarHBondContact O-CB 3.45Å; Y367-N371 PolarHBondContact O-N 3.4Å; Y367-N371 PolarHBondContact O-ND2 3.04Å
368V89.8Confident87.2Confident1 Ų163.4 Ų63.41%0.00636%0.359CS..Hα-helixtrans-69.9-32.2-179169.30000112.1L259 L364 K366 H372 Q380 M381 L384L259-V368 HydrophobicContact CD1-CG1 4.31Å; L259-V368 HydrophobicContact CD1-CG2 3.85Å; L364-V368 WeakPolarHBondContact O-CB 3.4Å; L364-V368 VanDerWaalsContact O-CG2 3.23Å; L364-V368 WeakPolarHBondContact O-CG2 3.24Å; L364-V368 PolarHBondContact O-N 3.32Å; K366-V368 VanDerWaalsContact C-N 3.34Å; K366-V368 PolarHBondContact O-N 2.83Å; V368-H372 CarbonylContact O-C 3.5Å; V368-H372 VanDerWaalsContact O-C 3.29Å; V368-H372 WeakPolarHBondContact O-CA 3.26Å; V368-H372 PolarHBondContact O-N 2.95Å; V368-H372 VanDerWaalsContact O-O 3.13Å; V368-Q380 HydrophobicContact CG1-CB 4.28Å; V368-M381 HydrophobicContact CG1-CE 4.3Å; V368-L384 HydrophobicContact CB-CD2 4.49Å; V368-L384 HydrophobicContact CG2-CD1 4.34Å; V368-L384 HydrophobicContact CG2-CD2 4.27Å
369L88.9Confident87Confident65 Ų6568.4 Ų68.434%0.3438%0.375SS..Hα-helixtrans-71-37.1173.7-68.7170.5000112K365 K366 S377 M381K365-L369 WeakPolarHBondContact O-CG 3.08Å; K365-L369 PolarHBondContact O-N 2.75Å; K366-L369 PolarHBondContact O-N 2.92Å; K366-L369 VanDerWaalsContact O-N 3.1Å; L369-S377 WeakPolarHBondContact CD2-OG 3.47Å; L369-M381 HydrophobicContact CD1-CE 4.21Å; L369-M381 HydrophobicContact CD1-SD 4.41Å; L369-M381 HydrophobicContact CD2-CE 3.83Å; L369-M381 HydrophobicContact CG-CE 3.71Å
370E88.3Confident86.7Confident113 Ų11369.4 Ų69.453%0.52838%0.379SS..Hα-helixtrans-78.2-46.1-177.9-68.7167.5162.200113.4K366 Y367K366-E370 WeakPolarHBondContact CE-OE1 3.41Å; K366-E370 VanDerWaalsContact CG-CD 3.5Å; K366-E370 VanDerWaalsContact CG-OE1 3.27Å; K366-E370 WeakPolarHBondContact CG-OE1 3.22Å; K366-E370 WeakPolarHBondContact CG-OE2 3.48Å; K366-E370 IonicContact NZ-OE1 2.62Å; K366-E370 WeakPolarHBondContact O-CG 3.42Å; K366-E370 PolarHBondContact O-N 2.85Å; K366-E370 VanDerWaalsContact O-N 3.08Å; Y367-E370 PolarHBondContact O-N 3.3Å
371N84.9Confident86.6Confident79 Ų7969 Ų6942%0.42237%0.372SS..Hα-helixtrans-92-21.1-172.3-64.7-99.3000112.6Y367Y367-N371 HydrophobicContact CD1-CB 4.24Å; Y367-N371 WeakPolarHBondContact CD2-ND2 3.34Å; Y367-N371 HydrophobicContact CE1-CB 3.88Å; Y367-N371 WeakPolarHBondContact O-CB 3.45Å; Y367-N371 PolarHBondContact O-N 3.4Å; Y367-N371 PolarHBondContact O-ND2 3.04Å
372H81.7Confident86.5Confident68 Ų6874 Ų7432%0.31540%0.395SS..SBendtrans-134.762.7177.7-59.4-58.4000111.3V262 V368 G374 Q380V262-H372 VanDerWaalsContact CG1-NE2 3.29Å; V262-H372 WeakPolarHBondContact CG1-NE2 3.07Å; V368-H372 CarbonylContact O-C 3.5Å; V368-H372 VanDerWaalsContact O-C 3.29Å; V368-H372 WeakPolarHBondContact O-CA 3.26Å; V368-H372 PolarHBondContact O-N 2.95Å; V368-H372 VanDerWaalsContact O-O 3.13Å; H372-G374 PolarHBondContact O-N 3.21Å; H372-Q380 PolarHBondContact O-NE2 3.43Å
373P77.3Confident86.5Confident104 Ų10472 Ų7268%0.67538%0.38SS*.  trans-59102.7178.425.5-35000110.4
374G71.6Confident86.4Confident30 Ų3070.6 Ų70.631%0.30937%0.369SS..  trans-86.6155.1175.500000110.9H372 N376H372-G374 PolarHBondContact O-N 3.21Å; G374-N376 PolarHBondContact O-N 2.89Å
375T72.6Confident86.5Confident146 Ų14674.3 Ų74.390%0.89639%0.385SS*.SBendtrans-52.4-18.6178.2-34.80000114.1
376N80.8Confident86.5Confident104 Ų10477.4 Ų77.456%0.55640%0.398SS*.  trans-141.7116.4172.8-75.5-91.1000110.7G374 N378 Y379 Q380G374-N376 PolarHBondContact O-N 2.89Å; N376-N378 VanDerWaalsContact C-N 3.35Å; N376-N378 PolarHBondContact O-N 2.86Å; N376-Y379 WeakPolarHBondContact O-CB 3.41Å; N376-Y379 PolarHBondContact O-N 3.36Å; N376-Q380 PolarHBondContact O-N 2.84Å; N376-Q380 VanDerWaalsContact O-N 3.15Å
377S87.8Confident86.5Confident61 Ų6172.2 Ų72.243%0.42738%0.377SS..Hα-helixtrans-52.5-48.8173.9164.80000112.3L369 Y379 Q380 M381L369-S377 WeakPolarHBondContact CD2-OG 3.47Å; S377-Y379 PolarHBondContact O-N 2.75Å; S377-Q380 PolarHBondContact O-N 3.43Å; S377-M381 WeakPolarHBondContact O-CG 3.45Å; S377-M381 PolarHBondContact O-N 3.48Å
378N87Confident86.6Confident141 Ų14171.2 Ų71.275%0.75437%0.373SS*.Hα-helixtrans-56.5-34.5176.7-76.7-63.1000113.5N376 H382N376-N378 VanDerWaalsContact C-N 3.35Å; N376-N378 PolarHBondContact O-N 2.86Å; N378-H382 WeakPolarHBondContact O-CB 3.17Å; N378-H382 PolarHBondContact O-N 3.27Å; N378-H382 VanDerWaalsContact O-N 3.13Å
379Y87.9Confident86.7Confident147 Ų14774.6 Ų74.658%0.57639%0.388SS*.Hα-helixtrans-70.3-43.5175.6-177.5-91.8000111.3N376 S377 M381 H382 L383N376-Y379 WeakPolarHBondContact O-CB 3.41Å; N376-Y379 PolarHBondContact O-N 3.36Å; S377-Y379 PolarHBondContact O-N 2.75Å; Y379-M381 VanDerWaalsContact C-N 3.32Å; Y379-M381 PolarHBondContact O-N 2.83Å; Y379-H382 PolarHBondContact O-N 3.27Å; Y379-L383 HydrophobicContact CE1-CD2 4.29Å; Y379-L383 WeakPolarHBondContact O-CB 3.46Å; Y379-L383 PolarHBondContact O-N 3.46Å
380Q86.5Confident86.9Confident26 Ų2675.6 Ų75.612%0.12139%0.39CS..Hα-helixtrans-61.4-39.6175.8-65.8-65.648.300112.1V368 H372 N376 S377 H382 L383 L384V368-Q380 HydrophobicContact CG1-CB 4.28Å; H372-Q380 PolarHBondContact O-NE2 3.43Å; N376-Q380 PolarHBondContact O-N 2.84Å; N376-Q380 VanDerWaalsContact O-N 3.15Å; S377-Q380 PolarHBondContact O-N 3.43Å; Q380-H382 VanDerWaalsContact C-N 3.35Å; Q380-H382 PolarHBondContact O-N 2.71Å; Q380-L383 PolarHBondContact O-N 3.08Å; Q380-L384 VanDerWaalsContact O-CB 3.31Å; Q380-L384 WeakPolarHBondContact O-CB 3.44Å; Q380-L384 PolarHBondContact O-N 3.34Å
381M90.4Very high87Confident34 Ų3470.3 Ų70.317%0.16737%0.366CS..Hα-helixtrans-65.2-37.8175.8-61.7-58.992.900112.3K365 V368 L369 S377 Y379 L384 K385K365-M381 HydrophobicContact CB-CE 4.41Å; K365-M381 HydrophobicContact CB-SD 3.74Å; K365-M381 HydrophobicContact CD-SD 4.46Å; K365-M381 HydrophobicContact CG-SD 3.61Å; V368-M381 HydrophobicContact CG1-CE 4.3Å; L369-M381 HydrophobicContact CD1-CE 4.21Å; L369-M381 HydrophobicContact CD1-SD 4.41Å; L369-M381 HydrophobicContact CD2-CE 3.83Å; L369-M381 HydrophobicContact CG-CE 3.71Å; S377-M381 WeakPolarHBondContact O-CG 3.45Å; S377-M381 PolarHBondContact O-N 3.48Å; Y379-M381 VanDerWaalsContact C-N 3.32Å; Y379-M381 PolarHBondContact O-N 2.83Å; M381-L384 HydrophobicContact CE-CD2 4.44Å; M381-K385 WeakPolarHBondContact O-CB 3.3Å; M381-K385 PolarHBondContact O-N 2.9Å
382H89.9Confident87.3Confident111 Ų11170.2 Ų70.251%0.51436%0.363SS..Hα-helixtrans-71.5-35.9174.8-173.968.4000112.8N378 Y379 Q380 K386N378-H382 WeakPolarHBondContact O-CB 3.17Å; N378-H382 PolarHBondContact O-N 3.27Å; N378-H382 VanDerWaalsContact O-N 3.13Å; Y379-H382 PolarHBondContact O-N 3.27Å; Q380-H382 VanDerWaalsContact C-N 3.35Å; Q380-H382 PolarHBondContact O-N 2.71Å; H382-K386 PolarHBondContact O-N 2.82Å
383L90.9Very high87.7Confident58 Ų5873.9 Ų73.930%0.30438%0.378SS..Hα-helixtrans-65.1-49.2173.7-176.260.7000110.4L259 Y379 Q380 K385 K386 T387L259-L383 HydrophobicContact CD2-CD2 4.44Å; L259-L383 HydrophobicContact CD2-CG 4.07Å; Y379-L383 HydrophobicContact CE1-CD2 4.29Å; Y379-L383 WeakPolarHBondContact O-CB 3.46Å; Y379-L383 PolarHBondContact O-N 3.46Å; Q380-L383 PolarHBondContact O-N 3.08Å; L383-K385 VanDerWaalsContact C-N 3.33Å; L383-K385 PolarHBondContact O-N 3.05Å; L383-K386 PolarHBondContact O-N 3.47Å; L383-K386 VanDerWaalsContact O-N 3.12Å; L383-T387 WeakPolarHBondContact O-CB 3.36Å; L383-T387 PolarHBondContact O-N 2.94Å; L383-T387 PolarHBondContact O-OG1 3.15Å
384L91.8Very high88.3Confident0 Ų071 Ų710%036%0.356CS..Hα-helixtrans-55.3-44.9174.3179.858.5000112L259 L263 L364 K365 V368 Q380 M381 K386 T387 L388 F405L259-L384 HydrophobicContact CD2-CB 3.93Å; L259-L384 HydrophobicContact CD2-CD1 4.09Å; L263-L384 HydrophobicContact CD2-CD1 4.01Å; L364-L384 HydrophobicContact CB-CD2 4.24Å; K365-L384 HydrophobicContact CG-CD2 4.06Å; V368-L384 HydrophobicContact CB-CD2 4.49Å; V368-L384 HydrophobicContact CG2-CD1 4.34Å; V368-L384 HydrophobicContact CG2-CD2 4.27Å; Q380-L384 VanDerWaalsContact O-CB 3.31Å; Q380-L384 WeakPolarHBondContact O-CB 3.44Å; Q380-L384 PolarHBondContact O-N 3.34Å; M381-L384 HydrophobicContact CE-CD2 4.44Å; L384-K386 PolarHBondContact O-N 3.29Å; L384-T387 PolarHBondContact O-N 2.93Å; L384-L388 HydrophobicContact CD1-CD1 4.36Å; L384-L388 HydrophobicContact CD1-CD2 4.49Å; L384-L388 HydrophobicContact CD1-CG 4.11Å; L384-L388 WeakPolarHBondContact O-CG 3.48Å; L384-L388 PolarHBondContact O-N 2.99Å; L384-F405 HydrophobicContact CB-CZ 4.31Å; L384-F405 HydrophobicContact CD2-CZ 4.18Å; L384-F405 HydrophobicContact CG-CE2 4.08Å; L384-F405 HydrophobicContact CG-CZ 4.07Å
385K92.6Very high89.1Confident78 Ų7870 Ų7034%0.33935%0.346SS..Hα-helixtrans-58.2-47.4174.8-178.5170-179.2173.90112.4M381 L383 T387 Q389 F405M381-K385 WeakPolarHBondContact O-CB 3.3Å; M381-K385 PolarHBondContact O-N 2.9Å; L383-K385 VanDerWaalsContact C-N 3.33Å; L383-K385 PolarHBondContact O-N 3.05Å; K385-T387 VanDerWaalsContact C-N 3.34Å; K385-Q389 WeakPolarHBondContact O-CB 3.33Å; K385-Q389 WeakPolarHBondContact O-CG 3.36Å; K385-Q389 PolarHBondContact O-N 3.36Å; K385-F405 VanDerWaalsContact CA-CE2 3.42Å; K385-F405 HydrophobicContact CB-CD1 3.98Å; K385-F405 HydrophobicContact CB-CD2 3.7Å; K385-F405 HydrophobicContact CB-CE1 3.98Å; K385-F405 HydrophobicContact CB-CE2 3.71Å; K385-F405 HydrophobicContact CB-CG 3.84Å; K385-F405 HydrophobicContact CB-CZ 3.85Å; K385-F405 HydrophobicContact CD-CB 3.78Å; K385-F405 HydrophobicContact CD-CD1 3.89Å; K385-F405 HydrophobicContact CD-CD2 4.44Å; K385-F405 HydrophobicContact CD-CG 3.79Å; K385-F405 HydrophobicContact CG-CB 3.92Å; K385-F405 HydrophobicContact CG-CD1 4.12Å; K385-F405 HydrophobicContact CG-CD2 3.82Å; K385-F405 HydrophobicContact CG-CE2 4.36Å; K385-F405 HydrophobicContact CG-CG 3.68Å
386K92.7Very high90Very high119 Ų11964.3 Ų64.352%0.51731%0.309SS..Hα-helixtrans-64.4-38.2176.4-81.1170.9162.71660112.2H382 L383 L384 K390H382-K386 PolarHBondContact O-N 2.82Å; L383-K386 PolarHBondContact O-N 3.47Å; L383-K386 VanDerWaalsContact O-N 3.12Å; L384-K386 PolarHBondContact O-N 3.29Å; K386-K390 WeakPolarHBondContact O-CB 3.27Å; K386-K390 PolarHBondContact O-N 3.46Å; K386-K390 VanDerWaalsContact O-N 3.1Å
387T92.3Very high90.5Very high8 Ų859.6 Ų59.65%0.04928%0.283CS..Hα-helixtrans-66.8-52179.3-60.90000111.2L259 E260 L263 L383 L384 K385 Q389 K390 C391L259-T387 HydrophobicContact CB-CG2 4.18Å; L259-T387 HydrophobicContact CG-CG2 4.19Å; E260-T387 HydrophobicContact CB-CG2 4.4Å; E260-T387 HydrophobicContact CG-CG2 3.71Å; L263-T387 HydrophobicContact CD1-CG2 3.47Å; L263-T387 VanDerWaalsContact CD1-CG2 3.47Å; L383-T387 WeakPolarHBondContact O-CB 3.36Å; L383-T387 PolarHBondContact O-N 2.94Å; L383-T387 PolarHBondContact O-OG1 3.15Å; L384-T387 PolarHBondContact O-N 2.93Å; K385-T387 VanDerWaalsContact C-N 3.34Å; T387-Q389 VanDerWaalsContact C-N 3.34Å; T387-Q389 PolarHBondContact O-N 3.18Å; T387-K390 WeakPolarHBondContact O-CA 3.38Å; T387-K390 WeakPolarHBondContact O-CB 3.41Å; T387-K390 PolarHBondContact O-N 2.91Å; T387-C391 PolarHBondContact O-N 3.15Å; T387-C391 PolarHBondContact O-SG 2.8Å
388L92.6Very high90.7Very high2 Ų261.5 Ų61.51%0.0129%0.285CS..Hα-helixtrans-57.2-46.6177.7-67.8-177.8000111.5L263 T361 L364 L384 K390 C391 E392 M397 F405 F409L263-L388 HydrophobicContact CD1-CD2 3.82Å; L263-L388 HydrophobicContact CD2-CD2 3.97Å; T361-L388 HydrophobicContact CG2-CD1 4.31Å; L364-L388 HydrophobicContact CD1-CD1 4.28Å; L364-L388 HydrophobicContact CD1-CD2 4.33Å; L384-L388 HydrophobicContact CD1-CD1 4.36Å; L384-L388 HydrophobicContact CD1-CD2 4.49Å; L384-L388 HydrophobicContact CD1-CG 4.11Å; L384-L388 WeakPolarHBondContact O-CG 3.48Å; L384-L388 PolarHBondContact O-N 2.99Å; L388-K390 PolarHBondContact O-N 2.82Å; L388-C391 PolarHBondContact O-N 2.76Å; L388-C391 VanDerWaalsContact O-N 3.14Å; L388-E392 VanDerWaalsContact O-CB 3.27Å; L388-E392 WeakPolarHBondContact O-CB 3.32Å; L388-E392 PolarHBondContact O-N 2.96Å; L388-M397 HydrophobicContact CD2-CE 3.5Å; L388-M397 HydrophobicContact CD2-SD 4.08Å; L388-F405 HydrophobicContact CD1-CD2 4.3Å; L388-F405 HydrophobicContact CD1-CE2 3.97Å; L388-F409 HydrophobicContact CB-CE1 4.42Å; L388-F409 HydrophobicContact CD1-CD2 4.3Å; L388-F409 HydrophobicContact CD1-CE2 4.16Å; L388-F409 HydrophobicContact CD1-CZ 4.38Å
389Q92.4Very high91Very high72 Ų7257.1 Ų57.134%0.33626%0.26SS..Hα-helixtrans-62.1-23.8176.1-72.7-175.7-25.300114K385 T387 K393K385-Q389 WeakPolarHBondContact O-CB 3.33Å; K385-Q389 WeakPolarHBondContact O-CG 3.36Å; K385-Q389 PolarHBondContact O-N 3.36Å; T387-Q389 VanDerWaalsContact C-N 3.34Å; T387-Q389 PolarHBondContact O-N 3.18Å; Q389-K393 WeakPolarHBondContact O-CB 3.27Å; Q389-K393 VanDerWaalsContact O-CD 3.27Å; Q389-K393 WeakPolarHBondContact O-CD 3.46Å; Q389-K393 WeakPolarHBondContact O-CG 3.28Å; Q389-K393 PolarHBondContact O-N 3.18Å
390K91.9Very high91.3Very high87 Ų8754.5 Ų54.538%0.37826%0.255SS..Hα-helixtrans-80.2-44173.6-168.6-162-174.8-165.30110.9E260 K386 T387 L388 K393 N394E260-K390 HydrophobicContact CG-CD 4.46Å; E260-K390 WeakPolarHBondContact OE1-CD 3.42Å; E260-K390 IonicContact OE1-NZ 3.84Å; E260-K390 PolarHBondContact OE1-NZ 3.01Å; E260-K390 IonicContact OE2-NZ 2.74Å; E260-K390 PolarHBondContact OE2-NZ 3.4Å; K386-K390 WeakPolarHBondContact O-CB 3.27Å; K386-K390 PolarHBondContact O-N 3.46Å; K386-K390 VanDerWaalsContact O-N 3.1Å; T387-K390 WeakPolarHBondContact O-CA 3.38Å; T387-K390 WeakPolarHBondContact O-CB 3.41Å; T387-K390 PolarHBondContact O-N 2.91Å; L388-K390 PolarHBondContact O-N 2.82Å; K390-K393 PolarHBondContact O-N 3.02Å; K390-N394 WeakPolarHBondContact O-CB 3.36Å; K390-N394 PolarHBondContact O-N 3.31Å; K390-N394 PolarHBondContact O-OD1 2.9Å
391C91.4Very high91.5Very high2 Ų256.5 Ų56.51%0.01427%0.272CS..Hα-helixtrans-63.9-41.8178-59.20000111.6T387 L388 N394 G395 W396 M397T387-C391 PolarHBondContact O-N 3.15Å; T387-C391 PolarHBondContact O-SG 2.8Å; L388-C391 PolarHBondContact O-N 2.76Å; L388-C391 VanDerWaalsContact O-N 3.14Å; C391-N394 PolarHBondContact O-N 3.4Å; C391-G395 PolarHBondContact O-N 2.9Å; C391-W396 HydrophobicContact CB-CB 4.19Å; C391-W396 HydrophobicContact CB-CE3 4.21Å; C391-W396 WeakPolarHBondContact O-CB 3.49Å; C391-W396 PolarHBondContact O-N 3.17Å; C391-M397 HydrophobicContact CB-CB 4.14Å; C391-M397 HydrophobicContact CB-CG 3.81Å; C391-M397 HydrophobicContact CB-SD 3.43Å; C391-M397 WeakPolarHBondContact CB-SD 3.17Å; C391-M397 PolarHBondContact O-N 2.92Å
392E91.3Very high91.4Very high77 Ų7756.8 Ų56.836%0.3628%0.284SS..Hα-helixtrans-53.6-57.4169.7-177.3-167.1173.700111.3L388 N394 G395 M397L388-E392 VanDerWaalsContact O-CB 3.27Å; L388-E392 WeakPolarHBondContact O-CB 3.32Å; L388-E392 PolarHBondContact O-N 2.96Å; E392-N394 VanDerWaalsContact C-N 3.25Å; E392-N394 PolarHBondContact O-N 2.98Å; E392-G395 WeakPolarHBondContact O-CA 3.25Å; E392-G395 PolarHBondContact O-N 3.42Å; E392-M397 WeakPolarHBondContact CA-O 3.45Å
393K90.6Very high91.1Very high144 Ų14460.6 Ų60.663%0.62630%0.299SS*.Hα-helixtrans-63.8-25.3179.6-72.2172-172.4177.10114.4Q389 K390 G395Q389-K393 WeakPolarHBondContact O-CB 3.27Å; Q389-K393 VanDerWaalsContact O-CD 3.27Å; Q389-K393 WeakPolarHBondContact O-CD 3.46Å; Q389-K393 WeakPolarHBondContact O-CG 3.28Å; Q389-K393 PolarHBondContact O-N 3.18Å; K390-K393 PolarHBondContact O-N 3.02Å; K393-G395 VanDerWaalsContact C-N 3.29Å
394N88.6Confident90.7Very high43 Ų4359.5 Ų59.523%0.2330%0.301CS..THydrogen-bonded Turntrans-80.3-11.5173.2-70.2-9.7000113T132 K390 C391 E392 W396T132-N394 PolarHBondContact N-O 3.42Å; K390-N394 WeakPolarHBondContact O-CB 3.36Å; K390-N394 PolarHBondContact O-N 3.31Å; K390-N394 PolarHBondContact O-OD1 2.9Å; C391-N394 PolarHBondContact O-N 3.4Å; E392-N394 VanDerWaalsContact C-N 3.25Å; E392-N394 PolarHBondContact O-N 2.98Å; N394-W396 VanDerWaalsContact C-N 3.33Å; N394-W396 HydrophobicContact CB-CD2 3.73Å; N394-W396 HydrophobicContact CB-CE3 4.45Å; N394-W396 HydrophobicContact CB-CG 3.79Å; N394-W396 HydrophobicContact CB-CZ2 4.26Å; N394-W396 VanDerWaalsContact ND2-CH2 3.35Å; N394-W396 WeakPolarHBondContact ND2-CH2 3.39Å; N394-W396 VanDerWaalsContact ND2-CZ2 3.26Å; N394-W396 WeakPolarHBondContact ND2-CZ2 3.29Å
395G89.4Confident90.4Very high9 Ų961.6 Ų61.69%0.09331%0.311CS..THydrogen-bonded Turntrans74.419.2-171.900000114C391 E392 K393 C412 F413C391-G395 PolarHBondContact O-N 2.9Å; E392-G395 WeakPolarHBondContact O-CA 3.25Å; E392-G395 PolarHBondContact O-N 3.42Å; K393-G395 VanDerWaalsContact C-N 3.29Å; G395-C412 WeakPolarHBondContact O-CB 3.48Å; G395-F413 WeakPolarHBondContact O-CE2 3.39Å
396W91.1Very high90.1Very high28 Ų2860.3 Ų60.311%0.10631%0.311CS..SBendtrans-80-27.8178-61-11.1000112.7T132 P134 W136 E260 C391 N394 C412T132-W396 PolarHBondContact O-NE1 2.85Å; P134-W396 HydrophobicContact CB-CD2 3.78Å; P134-W396 HydrophobicContact CB-CE3 4.31Å; P134-W396 HydrophobicContact CB-CG 3.98Å; P134-W396 HydrophobicContact CB-CZ2 4.17Å; P134-W396 HydrophobicContact CG-CB 4.38Å; P134-W396 HydrophobicContact CG-CD2 4.28Å; P134-W396 HydrophobicContact CG-CG 3.92Å; W136-W396 HydrophobicContact CZ2-CB 4.29Å; E260-W396 HydrophobicContact CB-CZ3 4.43Å; C391-W396 HydrophobicContact CB-CB 4.19Å; C391-W396 HydrophobicContact CB-CE3 4.21Å; C391-W396 WeakPolarHBondContact O-CB 3.49Å; C391-W396 PolarHBondContact O-N 3.17Å; N394-W396 VanDerWaalsContact C-N 3.33Å; N394-W396 HydrophobicContact CB-CD2 3.73Å; N394-W396 HydrophobicContact CB-CE3 4.45Å; N394-W396 HydrophobicContact CB-CG 3.79Å; N394-W396 HydrophobicContact CB-CZ2 4.26Å; N394-W396 VanDerWaalsContact ND2-CH2 3.35Å; N394-W396 WeakPolarHBondContact ND2-CH2 3.39Å; N394-W396 VanDerWaalsContact ND2-CZ2 3.26Å; N394-W396 WeakPolarHBondContact ND2-CZ2 3.29Å; W396-C412 WeakPolarHBondContact O-CB 3.34Å; W396-C412 PolarHBondContact O-N 3.37Å
397M92.2Very high90Very high5 Ų555.9 Ų55.93%0.02530%0.3CS..EExtended strand (participates in β ladder)trans-141.5158.2-176.9-60.8174.964.900109.3L263 F267 L388 C391 E392 F409 Q410 L411 C412L263-M397 HydrophobicContact CD1-SD 4.12Å; F267-M397 HydrophobicContact CD2-CE 4.39Å; F267-M397 HydrophobicContact CE1-CE 4.07Å; F267-M397 HydrophobicContact CE2-CE 3.38Å; F267-M397 HydrophobicContact CZ-CE 3.18Å; L388-M397 HydrophobicContact CD2-CE 3.5Å; L388-M397 HydrophobicContact CD2-SD 4.08Å; C391-M397 HydrophobicContact CB-CB 4.14Å; C391-M397 HydrophobicContact CB-CG 3.81Å; C391-M397 HydrophobicContact CB-SD 3.43Å; C391-M397 WeakPolarHBondContact CB-SD 3.17Å; C391-M397 PolarHBondContact O-N 2.92Å; E392-M397 WeakPolarHBondContact CA-O 3.45Å; M397-F409 HydrophobicContact CE-CB 4.14Å; M397-Q410 CarbonylContact C-O 3.29Å; M397-Q410 WeakPolarHBondContact CA-O 3.48Å; M397-Q410 WeakPolarHBondContact CB-O 3.48Å; M397-L411 HydrophobicContact CE-CD2 4.23Å; M397-L411 HydrophobicContact CG-CD2 3.95Å; M397-L411 HydrophobicContact SD-CD2 4.32Å; M397-C412 VanDerWaalsContact CA-SG 3.56Å
398E92.2Very high90.1Very high101 Ų10157.7 Ų57.747%0.47231%0.311SS..EExtended strand (participates in β ladder)trans-133.5139.5-177.4-169.9152.6-165.200109.4I400 F409 Q410E398-I400 HydrophobicContact CB-CD1 4.44Å; E398-I400 HydrophobicContact CG-CD1 4.21Å; E398-F409 CarbonylContact O-C 3.48Å; E398-F409 WeakPolarHBondContact O-CA 3.37Å; E398-Q410 PolarHBondContact N-O 3.34Å; E398-Q410 PolarHBondContact O-N 2.97Å
399Q93.4Very high90.2Very high48 Ų4857.7 Ų57.722%0.22431%0.311CS..EExtended strand (participates in β ladder)trans-88.3106.7176.1-179.7160.738.900108.5S401 G404 S406 F409Q399-S401 WeakPolarHBondContact CG-O 3.48Å; Q399-S401 PolarHBondContact NE2-O 3Å; Q399-G404 PolarHBondContact NE2-O 3.37Å; Q399-G404 PolarHBondContact OE1-O 3.49Å; Q399-S406 PolarHBondContact NE2-O 3.38Å; Q399-F409 HydrophobicContact CB-CD1 4.14Å; Q399-F409 HydrophobicContact CB-CE1 3.78Å; Q399-F409 HydrophobicContact CB-CZ 4.01Å; Q399-F409 HydrophobicContact CG-CE1 4.31Å; Q399-F409 HydrophobicContact CG-CE2 4.28Å; Q399-F409 HydrophobicContact CG-CZ 4.04Å
400I92.8Very high90.2Very high92 Ų9256.9 Ų56.947%0.47231%0.307SS..EExtended strand (participates in β ladder)trans-82.3-30.7-177.4-55.1-58.9000111E398 T408 Q410E398-I400 HydrophobicContact CB-CD1 4.44Å; E398-I400 HydrophobicContact CG-CD1 4.21Å; I400-T408 PolarHBondContact N-O 3.32Å; I400-Q410 HydrophobicContact CD1-CB 3.92Å; I400-Q410 HydrophobicContact CG1-CB 3.61Å
401S91.9Very high90.3Very high69 Ų6953.3 Ų53.348%0.48329%0.292SS..EExtended strand (participates in β ladder)trans-150.8161.1177.3-173.30000111.9Q399 G407 T408Q399-S401 WeakPolarHBondContact CG-O 3.48Å; Q399-S401 PolarHBondContact NE2-O 3Å; S401-G407 CarbonylContact O-C 3.56Å; S401-G407 WeakPolarHBondContact O-CA 3.46Å; S401-T408 WeakPolarHBondContact CB-OG1 3.35Å; S401-T408 PolarHBondContact N-O 2.65Å; S401-T408 PolarHBondContact N-OG1 3.09Å; S401-T408 PolarHBondContact O-N 2.96Å
402G86.6Confident90.2Very high40 Ų4055.1 Ų55.141%0.41230%0.304SS..SBendtrans86.3-178.3-175.400000113.6
403K85.1Confident90.2Very high191 Ų19152.8 Ų52.883%0.8329%0.293SS*.SBendtrans-135.7112.4-179.6-165.970.6173.2-174.80110S406K403-S406 PolarHBondContact N-OG 2.8Å; K403-S406 VanDerWaalsContact N-OG 3.14Å; K403-S406 PolarHBondContact O-OG 2.87Å
404G83Confident90.2Very high34 Ų3447.4 Ų47.435%0.35127%0.272SS..SBendtrans74.5-125.1-176.600000111.3Q399 S406Q399-G404 PolarHBondContact NE2-O 3.37Å; Q399-G404 PolarHBondContact OE1-O 3.49Å; G404-S406 VanDerWaalsContact C-N 3.26Å; G404-S406 PolarHBondContact O-N 3.03Å; G404-S406 VanDerWaalsContact O-N 3.11Å
405F84Confident90.4Very high45 Ų4546.6 Ų46.620%0.19727%0.266CS..SBendtrans-90.646.9-171.9-168.5-125.8000114K365 L384 K385 L388K365-F405 VanDerWaalsContact CE-CE1 3.49Å; K365-F405 HydrophobicContact CG-CZ 4.47Å; K365-F405 PolarHBondContact NZ-O 3.38Å; L384-F405 HydrophobicContact CB-CZ 4.31Å; L384-F405 HydrophobicContact CD2-CZ 4.18Å; L384-F405 HydrophobicContact CG-CE2 4.08Å; L384-F405 HydrophobicContact CG-CZ 4.07Å; K385-F405 VanDerWaalsContact CA-CE2 3.42Å; K385-F405 HydrophobicContact CB-CD1 3.98Å; K385-F405 HydrophobicContact CB-CD2 3.7Å; K385-F405 HydrophobicContact CB-CE1 3.98Å; K385-F405 HydrophobicContact CB-CE2 3.71Å; K385-F405 HydrophobicContact CB-CG 3.84Å; K385-F405 HydrophobicContact CB-CZ 3.85Å; K385-F405 HydrophobicContact CD-CB 3.78Å; K385-F405 HydrophobicContact CD-CD1 3.89Å; K385-F405 HydrophobicContact CD-CD2 4.44Å; K385-F405 HydrophobicContact CD-CG 3.79Å; K385-F405 HydrophobicContact CG-CB 3.92Å; K385-F405 HydrophobicContact CG-CD1 4.12Å; K385-F405 HydrophobicContact CG-CD2 3.82Å; K385-F405 HydrophobicContact CG-CE2 4.36Å; K385-F405 HydrophobicContact CG-CG 3.68Å; L388-F405 HydrophobicContact CD1-CD2 4.3Å; L388-F405 HydrophobicContact CD1-CE2 3.97Å
406S87.6Confident90.5Very high50 Ų5048.2 Ų48.235%0.3527%0.27SS..SBendtrans-144.4175.3-177.962.70000111.1T361 Q399 K403 G404T361-S406 WeakPolarHBondContact OG1-CA 3.34Å; Q399-S406 PolarHBondContact NE2-O 3.38Å; K403-S406 PolarHBondContact N-OG 2.8Å; K403-S406 VanDerWaalsContact N-OG 3.14Å; K403-S406 PolarHBondContact O-OG 2.87Å; G404-S406 VanDerWaalsContact C-N 3.26Å; G404-S406 PolarHBondContact O-N 3.03Å; G404-S406 VanDerWaalsContact O-N 3.11Å
407G90.6Very high90.6Very high27 Ų2747.1 Ų47.128%0.27827%0.266SS..SBendtrans69.2-145.9176.700000114.3T361 S401T361-G407 WeakPolarHBondContact CG2-O 3.38Å; T361-G407 PolarHBondContact N-O 3.35Å; T361-G407 PolarHBondContact OG1-N 2.93Å; T361-G407 PolarHBondContact OG1-O 2.85Å; S401-G407 CarbonylContact O-C 3.56Å; S401-G407 WeakPolarHBondContact O-CA 3.46Å
408T93.6Very high90.5Very high45 Ų4548.8 Ų48.828%0.27628%0.279SS..EExtended strand (participates in β ladder)trans-120.3146.3-170.655.50000112.4C359 I400 S401C359-T408 WeakPolarHBondContact O-CA 3.18Å; I400-T408 PolarHBondContact N-O 3.32Å; S401-T408 WeakPolarHBondContact CB-OG1 3.35Å; S401-T408 PolarHBondContact N-O 2.65Å; S401-T408 PolarHBondContact N-OG1 3.09Å; S401-T408 PolarHBondContact O-N 2.96Å
409F94.2Very high90.4Very high3 Ų344.9 Ų44.91%0.01326%0.262CS..EExtended strand (participates in β ladder)trans-122.1159.1176.3-75.9-101.5000109.8F267 T358 C359 T361 L388 M397 E398 Q399F267-F409 HydrophobicContact CE1-CB 4.26Å; F267-F409 WeakPolarHBondContact CE1-O 3.5Å; F267-F409 HydrophobicContact CZ-CB 3.77Å; T358-F409 CarbonylContact C-O 3.35Å; T358-F409 VanDerWaalsContact CA-O 3.3Å; T358-F409 WeakPolarHBondContact CA-O 3.41Å; C359-F409 PolarHBondContact N-O 3.02Å; C359-F409 PolarHBondContact O-N 3.08Å; T361-F409 HydrophobicContact CG2-CD2 3.66Å; T361-F409 HydrophobicContact CG2-CE2 3.48Å; T361-F409 VanDerWaalsContact CG2-CE2 3.48Å; L388-F409 HydrophobicContact CB-CE1 4.42Å; L388-F409 HydrophobicContact CD1-CD2 4.3Å; L388-F409 HydrophobicContact CD1-CE2 4.16Å; L388-F409 HydrophobicContact CD1-CZ 4.38Å; M397-F409 HydrophobicContact CE-CB 4.14Å; E398-F409 CarbonylContact O-C 3.48Å; E398-F409 WeakPolarHBondContact O-CA 3.37Å; Q399-F409 HydrophobicContact CB-CD1 4.14Å; Q399-F409 HydrophobicContact CB-CE1 3.78Å; Q399-F409 HydrophobicContact CB-CZ 4.01Å; Q399-F409 HydrophobicContact CG-CE1 4.31Å; Q399-F409 HydrophobicContact CG-CE2 4.28Å; Q399-F409 HydrophobicContact CG-CZ 4.04Å
410Q93.8Very high90Very high55 Ų5545 Ų4526%0.25728%0.276SS..EExtended strand (participates in β ladder)trans-131.7149.2176.4179.8169.6-38.900110.5P356 K357 T358 M397 E398 I400P356-Q410 HydrophobicContact CB-CG 4.37Å; K357-Q410 WeakPolarHBondContact O-CA 3.29Å; T358-Q410 HydrophobicContact CG2-CB 4.16Å; T358-Q410 HydrophobicContact CG2-CG 4.09Å; M397-Q410 CarbonylContact C-O 3.29Å; M397-Q410 WeakPolarHBondContact CA-O 3.48Å; M397-Q410 WeakPolarHBondContact CB-O 3.48Å; E398-Q410 PolarHBondContact N-O 3.34Å; E398-Q410 PolarHBondContact O-N 2.97Å; I400-Q410 HydrophobicContact CD1-CB 3.92Å; I400-Q410 HydrophobicContact CG1-CB 3.61Å
411L92.6Very high89.8Confident12 Ų1243.6 Ų43.66%0.06327%0.272CS..EExtended strand (participates in β ladder)trans-78.5128.6170-56.6-173.5000110.6W136 P264 F267 K357 M397 F413W136-L411 HydrophobicContact CH2-CB 4.41Å; W136-L411 HydrophobicContact CH2-CD1 4.36Å; W136-L411 HydrophobicContact CH2-CD2 4.22Å; W136-L411 HydrophobicContact CZ3-CD1 4.35Å; P264-L411 HydrophobicContact CB-CD1 4.3Å; F267-L411 HydrophobicContact CB-CD1 4.01Å; F267-L411 HydrophobicContact CB-CD2 4.29Å; F267-L411 HydrophobicContact CB-CG 4.16Å; F267-L411 HydrophobicContact CD1-CD1 4.45Å; F267-L411 HydrophobicContact CD1-CD2 3.73Å; F267-L411 HydrophobicContact CD1-CG 3.69Å; F267-L411 HydrophobicContact CD2-CD2 4.19Å; F267-L411 HydrophobicContact CE1-CD2 4.04Å; F267-L411 HydrophobicContact CE1-CG 4.29Å; F267-L411 HydrophobicContact CE2-CD2 4.47Å; F267-L411 HydrophobicContact CG-CD1 4.38Å; F267-L411 HydrophobicContact CG-CD2 3.81Å; F267-L411 HydrophobicContact CG-CG 4Å; F267-L411 HydrophobicContact CZ-CD2 4.41Å; K357-L411 HydrophobicContact CB-CB 4.42Å; K357-L411 HydrophobicContact CB-CD1 3.97Å; K357-L411 HydrophobicContact CB-CG 4.07Å; K357-L411 HydrophobicContact CD-CD1 3.98Å; K357-L411 PolarHBondContact O-N 2.9Å; M397-L411 HydrophobicContact CE-CD2 4.23Å; M397-L411 HydrophobicContact CG-CD2 3.95Å; M397-L411 HydrophobicContact SD-CD2 4.32Å; L411-F413 VanDerWaalsContact C-N 3.29Å
412C90.9Very high89.5Confident40 Ų4040.3 Ų40.327%0.2725%0.249SC..SBendtrans-81-8.3176.9-63.50000113.9G395 W396 M397G395-C412 WeakPolarHBondContact O-CB 3.48Å; W396-C412 WeakPolarHBondContact O-CB 3.34Å; W396-C412 PolarHBondContact O-N 3.37Å; M397-C412 VanDerWaalsContact CA-SG 3.56Å
413F90.4Very high89.3Confident27 Ų2740.6 Ų40.612%0.11824%0.239CC..SBendtrans-130.3138.3-176.4-71.2-85.8000110K131 I133 P134 W136 A137 L139 G395 L411K131-F413 HydrophobicContact CB-CZ 4.37Å; I133-F413 HydrophobicContact CG2-CD1 4.44Å; I133-F413 HydrophobicContact CG2-CE1 4.18Å; P134-F413 VanDerWaalsContact CD-CD2 3.48Å; P134-F413 HydrophobicContact CG-CB 4.38Å; P134-F413 HydrophobicContact CG-CD2 3.79Å; P134-F413 HydrophobicContact CG-CE2 4.28Å; P134-F413 HydrophobicContact CG-CG 4.12Å; W136-F413 HydrophobicContact CH2-CB 4.15Å; W136-F413 HydrophobicContact CZ3-CB 3.97Å; A137-F413 HydrophobicContact CB-CB 3.81Å; A137-F413 HydrophobicContact CB-CD1 4.15Å; A137-F413 HydrophobicContact CB-CG 4.15Å; L139-F413 HydrophobicContact CD1-CD1 4Å; L139-F413 HydrophobicContact CD1-CE1 4.2Å; L139-F413 HydrophobicContact CG-CD1 4.44Å; G395-F413 WeakPolarHBondContact O-CE2 3.39Å; L411-F413 VanDerWaalsContact C-N 3.29Å
414P90.6Very high89.1Confident31 Ų3135.7 Ų35.720%0.20123%0.226CC..  trans-52142.3170.1-31.138000113.1A137 T138 L139 E355 Y416A137-P414 CarbonylContact C-O 3.32Å; A137-P414 WeakPolarHBondContact CA-O 3.21Å; T138-P414 PolarHBondContact N-O 3.5Å; L139-P414 HydrophobicContact CD2-CG 4.22Å; E355-P414 WeakPolarHBondContact OE1-CB 3.5Å; P414-Y416 HydrophobicContact CB-CE1 4.33Å; P414-Y416 HydrophobicContact CB-CE2 4.08Å
415Y92Very high88.5Confident26 Ų2642.1 Ų42.110%0.10225%0.245CC..  trans-143.5116.6174.5-179.6-119.2000108.9W136 T138 P264 L265 T268 K357 P417W136-Y415 HydrophobicContact CB-CD2 4.35Å; W136-Y415 HydrophobicContact CB-CE2 4.22Å; W136-Y415 HydrophobicContact CE3-CD2 4.09Å; W136-Y415 HydrophobicContact CE3-CG 4.28Å; W136-Y415 VanDerWaalsContact O-CD2 3.31Å; W136-Y415 WeakPolarHBondContact O-CD2 3.24Å; T138-Y415 WeakPolarHBondContact OG1-CA 3.37Å; P264-Y415 VanDerWaalsContact C-CE1 3.45Å; P264-Y415 HydrophobicContact CB-CD1 3.46Å; P264-Y415 VanDerWaalsContact CB-CD1 3.46Å; P264-Y415 HydrophobicContact CB-CD2 4.08Å; P264-Y415 HydrophobicContact CB-CE1 3.59Å; P264-Y415 HydrophobicContact CB-CE2 4.18Å; P264-Y415 HydrophobicContact CB-CG 3.72Å; P264-Y415 WeakPolarHBondContact O-CD1 3.3Å; L265-Y415 HydrophobicContact CB-CE1 4.39Å; T268-Y415 WeakPolarHBondContact OG1-CD1 3.47Å; K357-Y415 WeakPolarHBondContact CE-O 3.13Å; K357-Y415 PolarHBondContact NZ-O 2.88Å; Y415-P417 HydrophobicContact CD1-CG 4.14Å; Y415-P417 HydrophobicContact CE1-CB 3.88Å; Y415-P417 HydrophobicContact CE1-CG 3.67Å
416Y92.3Very high87.1Confident43 Ų4349.5 Ų49.517%0.16928%0.277CS..  trans-123.979.8-178.9-47.6-46.1000108.8T138 Y288 M353 E355 P414T138-Y416 HydrophobicContact CG2-CD2 3.83Å; T138-Y416 HydrophobicContact CG2-CG 4.33Å; T138-Y416 PolarHBondContact OG1-N 3.49Å; Y288-Y416 PolarHBondContact OH-O 3.11Å; M353-Y416 HydrophobicContact CE-CD1 3.59Å; M353-Y416 HydrophobicContact CE-CD2 3.93Å; M353-Y416 HydrophobicContact CE-CE1 3.52Å; M353-Y416 HydrophobicContact CE-CE2 3.88Å; M353-Y416 HydrophobicContact CE-CG 3.81Å; M353-Y416 HydrophobicContact SD-CD1 3.45Å; M353-Y416 WeakPolarHBondContact SD-CD1 3.49Å; M353-Y416 HydrophobicContact SD-CD2 4.17Å; M353-Y416 HydrophobicContact SD-CE1 4.02Å; M353-Y416 HydrophobicContact SD-CG 3.55Å; M353-Y416 VanDerWaalsContact SD-CG 3.55Å; E355-Y416 HydrophobicContact CG-CE1 4.39Å; E355-Y416 WeakPolarHBondContact OE1-CE1 3.22Å; E355-Y416 VanDerWaalsContact OE1-CZ 3.24Å; E355-Y416 PolarHBondContact OE1-OH 3.17Å; E355-Y416 PolarHBondContact OE2-OH 2.78Å; P414-Y416 HydrophobicContact CB-CE1 4.33Å; P414-Y416 HydrophobicContact CB-CE2 4.08Å
417P92.1Very high84.7Confident5 Ų553.5 Ų53.53%0.03229%0.29CS..  trans-63.1145-17922.8-31.5000112T268 Y284 A352 Y415 V421 L422T268-P417 HydrophobicContact CG2-CG 3.98Å; Y284-P417 VanDerWaalsContact CE2-O 3.26Å; Y284-P417 WeakPolarHBondContact CE2-O 3.43Å; Y284-P417 PolarHBondContact OH-O 3.32Å; A352-P417 HydrophobicContact CB-CG 4.44Å; Y415-P417 HydrophobicContact CD1-CG 4.14Å; Y415-P417 HydrophobicContact CE1-CB 3.88Å; Y415-P417 HydrophobicContact CE1-CG 3.67Å; P417-V421 HydrophobicContact CB-CB 4.24Å; P417-V421 HydrophobicContact CB-CG1 3.97Å; P417-L422 HydrophobicContact CB-CD2 4.33Å; P417-L422 HydrophobicContact CB-CG 4.19Å; P417-L422 HydrophobicContact CG-CD2 3.56Å; P417-L422 HydrophobicContact CG-CG 3.78Å
418S90.9Very high82.6Confident40 Ų4056.4 Ų56.428%0.2830%0.304SS..  trans-68159.7174.764.50000111.7G420 V421 L422S418-G420 VanDerWaalsContact C-N 3.28Å; S418-G420 PolarHBondContact O-N 2.98Å; S418-V421 PolarHBondContact O-N 3.11Å; S418-V421 WeakPolarHBondContact OG-CG2 3.34Å; S418-L422 PolarHBondContact O-N 2.77Å
419P89.3Confident79.7Confident20 Ų2061.3 Ų61.313%0.1333%0.328CS..Hα-helixtrans-57-37-175.1-29.236000114.5Y284 Y288 Y289 V421 L422 F423Y284-P419 HydrophobicContact CE1-CG 4.02Å; Y284-P419 VanDerWaalsContact OH-CD 3.27Å; Y284-P419 WeakPolarHBondContact OH-CD 3.29Å; Y288-P419 HydrophobicContact CG-CG 4.18Å; Y289-P419 HydrophobicContact CD2-CG 4.46Å; Y289-P419 HydrophobicContact CE2-CB 4.36Å; Y289-P419 HydrophobicContact CE2-CG 3.56Å; Y289-P419 WeakPolarHBondContact OH-CB 3.34Å; P419-V421 VanDerWaalsContact C-N 3.34Å; P419-L422 PolarHBondContact O-N 2.75Å; P419-F423 PolarHBondContact O-N 2.8Å
420G86Confident77.1Confident50 Ų5068.1 Ų68.152%0.51537%0.365SS..Hα-helixtrans-74.7-17.6176.900000114.9S418 P424S418-G420 VanDerWaalsContact C-N 3.28Å; S418-G420 PolarHBondContact O-N 2.98Å; G420-P424 WeakPolarHBondContact O-CA 3.09Å
421V88.5Confident74.5Confident62 Ų6269.4 Ų69.438%0.37638%0.38SS..Hα-helixtrans-87.1-34.9170.81740000110.6L265 P417 S418 P419L265-V421 HydrophobicContact CD1-CG1 4.35Å; L265-V421 HydrophobicContact CD2-CG1 4.28Å; P417-V421 HydrophobicContact CB-CB 4.24Å; P417-V421 HydrophobicContact CB-CG1 3.97Å; S418-V421 PolarHBondContact O-N 3.11Å; S418-V421 WeakPolarHBondContact OG-CG2 3.34Å; P419-V421 VanDerWaalsContact C-N 3.34Å
422L85.5Confident71.7Confident1 Ų180.2 Ų80.21%0.00542%0.42CS..Hα-helixtrans-63.3-59.9169.5-84.2-176.3000111.1L265 T268 R269 S348 A351 A352 P417 S418 P419 P424L265-L422 HydrophobicContact CD1-CD2 4.25Å; T268-L422 HydrophobicContact CG2-CD2 3.66Å; R269-L422 PolarHBondContact NE-O 2.91Å; R269-L422 VanDerWaalsContact NE-O 3.08Å; R269-L422 PolarHBondContact NH2-O 2.9Å; S348-L422 VanDerWaalsContact O-CD1 3.27Å; S348-L422 WeakPolarHBondContact O-CD1 3.43Å; A351-L422 HydrophobicContact CB-CD1 3.97Å; A352-L422 HydrophobicContact CB-CD1 3.89Å; P417-L422 HydrophobicContact CB-CD2 4.33Å; P417-L422 HydrophobicContact CB-CG 4.19Å; P417-L422 HydrophobicContact CG-CD2 3.56Å; P417-L422 HydrophobicContact CG-CG 3.78Å; S418-L422 PolarHBondContact O-N 2.77Å; P419-L422 PolarHBondContact O-N 2.75Å; L422-P424 WeakPolarHBondContact O-CD 3.36Å
423F83.3Confident69Low45 Ų4585.7 Ų85.720%0.19745%0.447CS..SBendtrans-118.185.9-177-54.6-83.7000108.1Y344 L347 P419 K425Y344-F423 HydrophobicContact CE2-CD2 4.41Å; Y344-F423 VanDerWaalsContact OH-CB 3.3Å; Y344-F423 WeakPolarHBondContact OH-CB 3.26Å; L347-F423 HydrophobicContact CD2-CZ 4.22Å; L347-F423 HydrophobicContact CG-CZ 4.24Å; P419-F423 PolarHBondContact O-N 2.8Å; F423-K425 PolarHBondContact O-N 2.62Å
424P80.1Confident66.4Low88 Ų8893 Ų9357%0.57148%0.481SS*.  trans-53.3130.6164-22.633.2000108.4G420 L422 K426G420-P424 WeakPolarHBondContact O-CA 3.09Å; L422-P424 WeakPolarHBondContact O-CD 3.36Å; P424-K426 PolarHBondContact O-N 2.79Å
425K69.4Low63.5Low169 Ų16998.8 Ų98.874%0.73551%0.51SS*.  trans-60121.4161.9-75.3-172.5168.5-1620107.1F423 E427F423-K425 PolarHBondContact O-N 2.62Å; K425-E427 WeakPolarHBondContact CD-OE1 3.49Å; K425-E427 PolarHBondContact O-N 3.41Å
426K55.3Low60.9Low201 Ų201105.8 Ų105.887%0.87454%0.544SS*.  trans-73.1103.8149-70-172.1174.6-169.30105.2P424P424-K426 PolarHBondContact O-N 2.79Å
427E37.7Very low58Low133 Ų133110.9 Ų110.962%0.62157%0.574SS**  trans-60.8140.8151.3-51.4-57.4151.600106.1K425K425-E427 WeakPolarHBondContact CD-OE1 3.49Å; K425-E427 PolarHBondContact O-N 3.41Å
428P45.8Very low55.6Low88 Ų88120 Ų12057%0.57162%0.616SS**  trans-61.8151.2172.628.3-33.9000110.1D430P428-D430 WeakPolarHBondContact CG-OD1 3.5Å; P428-D430 PolarHBondContact O-N 3.14Å
429D33Very low52.7Low148 Ų148125.8 Ų125.879%0.79164%0.644SS**  trans-88.981.4174.2-157.3-13.9000107.3S431D429-S431 PolarHBondContact O-N 2.86Å; D429-S431 PolarHBondContact OD1-OG 3.17Å
430D39.2Very low50.1Low147 Ų147133.7 Ų133.779%0.78668%0.679SS**  trans-67.176.6-175.7-66.4-30.8000110.8P428P428-D430 WeakPolarHBondContact CG-OD1 3.5Å; P428-D430 PolarHBondContact O-N 3.14Å
431S40Very low47.4Very low82 Ų82136.9 Ų136.957%0.57369%0.694SS**  trans-151.443.7-179.258.60000114D429D429-S431 PolarHBondContact O-N 2.86Å; D429-S431 PolarHBondContact OD1-OG 3.17Å
432R33.4Very low44.8Very low238 Ų238139 Ų13990%0.89871%0.711SS**  trans-141.192.4158.5-68.9-165.3-177.9-143.8-4.2110.9
433D35.4Very low42.1Very low156 Ų156147.8 Ų147.883%0.83475%0.752SS**  trans-68174.1142.7-51.1-76.3000108.8
434E34.9Very low39.6Very low181 Ų181155 Ų15585%0.84679%0.787SS**  trans84.2110.5-157.7-58.6172.2-164.800112.9
435D30.5Very low37.3Very low151 Ų151158.7 Ų158.781%0.80780%0.802SS**  cis-165.2-165.5-21.9-107.1-32.5000107
436E36.7Very low35.5Very low174 Ų174155.2 Ų155.281%0.81380%0.799SS**  trans-56.1152.2165.2-65.3162.8153.400110.2
437D30.3Very low34.4Very low150 Ų150154.5 Ų154.580%0.80280%0.798SS**  -141.2163.750.1-68-60.9000115.2
438E42.5Very low34.2Very low195 Ų195155 Ų15591%0.91181%0.806SS**  trans-88.4122.5162.5-64.5-179.5139.300109.8
439D29.6Very low33.6Very low162 Ų162158.9 Ų158.987%0.86682%0.816SS**  trans-126112.4167.5-102.8-39000109.6
440E35.5Very low33.8Very low186 Ų186160.1 Ų160.187%0.86982%0.817SS**  trans-75.1139.1169.7-67.7-170.4126.600110.2
441S29.5Very low34.2Very low117 Ų117158 Ų15882%0.81881%0.812SS**  trans-132.984.5169.7-170.60000109.4
442S34.3Very low35Very low107 Ų107159.3 Ų159.375%0.74882%0.818SS**  trans-112.996.7171.757.50000109.2
443E28.4Very low36Very low185 Ų185152.5 Ų152.586%0.86480%0.804SS**  trans-94.199.8167.4-66.8-172.6158.700108.9
444E30.9Very low36.1Very low197 Ų197153.3 Ų153.392%0.92180%0.801SS**  trans-127.1166.2157-79.4-160.9171.600109.7
445D30.5Very low35.9Very low166 Ų166154.2 Ų154.289%0.88880%0.796SS**  trans-74.3165.8-139.3-139.4-18.4000117.3
446S32.1Very low36Very low96 Ų96156 Ų15667%0.67179%0.792SS**  trans-92138.4176.2158.50000111.9
447E32.7Very low36Very low185 Ų185154.5 Ų154.586%0.86479%0.788SS**  -175.9166.3126.9-103.3169.8175.800114.4
448D32.4Very low36.4Very low145 Ų145154.6 Ų154.678%0.77578%0.784SS**  trans78.196.8160.7-106.2-142.9000124.3
449E33.1Very low35.8Very low169 Ų169153.8 Ų153.879%0.7978%0.777SS**  73.2101.7121.6-155.5148.8115.400123.9
450E37Very low35.9Very low174 Ų174155.7 Ų155.781%0.81378%0.778SS**  trans51.1152.2135.7-70.3-108.4100.500123.3
451P47.8Very low36.1Very low103 Ų103153 Ų15367%0.66978%0.775SS**  trans-124.7-127.1-139.529.6-4.3000116.8
452P58.3Low37.4Very low109 Ų109153 Ų15371%0.70877%0.772SS**  -110.8-157.7-118.137.2-17.2000111.2
453P54.3Low37.4Very low94 Ų94152.1 Ų152.161%0.6177%0.771SS**  cis-159-164.715.838.5-11.2000120
454K35.8Very low37.5Very low174 Ų174153 Ų15376%0.75777%0.772SS**  trans102.5119.4139.4-82.6159.6-164.51540121.4
455R32.5Very low37.8Very low200 Ų200148.7 Ų148.776%0.75576%0.763SS**  trans75.3149139.2-68.7158.651.2116.8-15.8116.2
456R31.1Very low38.7Very low189 Ų189146.7 Ų146.771%0.71376%0.759SS**  cis-162.5131.113.7-140.6168.358.3-168.1-6.7113.3
457L36.9Very low38.8Very low141 Ų141145.4 Ų145.474%0.73876%0.761SS**  10.6115.2128.8-90.2158.1000118.4
458Q38.3Very low38.9Very low153 Ų153147 Ų14772%0.71577%0.766SS**  157.3125.1103.5-98.3178.255.200118.1
459K31.3Very low39Very low177 Ų177144.2 Ų144.277%0.7776%0.762SS**  58.8122120-171.3-177.4-176.6176.90121.1
460K31.5Very low39.1Very low202 Ų202142.5 Ų142.588%0.87876%0.763SS**  -171.1131.9128.6-104.3157.2-173.7178.40115.8
461T39.6Very low38.8Very low131 Ų131139.3 Ų139.380%0.80476%0.761SS**  trans-129-171.5151.658.50000105.5
462P56.3Low38.1Very low117 Ų117141.7 Ų141.776%0.7677%0.773SS**  cis-142.5-1492.943.2-21000114.3
463A34.2Very low37Very low87 Ų87145.2 Ų145.272%0.71978%0.777SS**  trans89.7145.4156.500000118.5
464K31.1Very low36.1Very low205 Ų205148.8 Ų148.889%0.89179%0.785SS**  cis-158.4177.3-11.7-131175.6178.3176.10112.8
465S37.9Very low35.9Very low105 Ų105152 Ų15273%0.73479%0.793SS**  trans-99.6-163.8-179.959.30000112.9
466P49.2Very low35.9Very low124 Ų124145.6 Ų145.681%0.80579%0.789SS**  cis-129.8-159.9-2.345.1-26.7000113.3
467G33.9Very low36Very low70 Ų70142.9 Ų142.972%0.72280%0.8SS**  cis145.9153.2-14.800000115.8
468K34.3Very low35.9Very low219 Ų219145.8 Ų145.895%0.95281%0.806SS**  trans73.7148.6178.5-92.5-180178176.70118.1
469A34.4Very low36Very low85 Ų85143.5 Ų143.570%0.70280%0.804SS**  cis-133.9-132.5-2.200000112.4
470T34.6Very low36.1Very low133 Ų133141.5 Ų141.582%0.81681%0.807SS**  cis-144.5-117.310.2-41.40000113.8
471S31Very low37Very low108 Ų108137.6 Ų137.676%0.75580%0.802SS**  trans-165.6158.5-163.862.40000118.2
472V34.4Very low36.6Very low153 Ų153141 Ų14193%0.92781%0.806SS**  trans-173.8171.7144.2141.50000110.3
473K34.3Very low35.4Very low183 Ų183142 Ų14280%0.79681%0.809SS**  trans-151.1146.6-146.7-178.9-175-177.3177.80116.2
474Q35.7Very low35.3Very low168 Ų168143.1 Ų143.179%0.78581%0.812SS**  trans142.2127.4147.7-78-176.922.900112.7
475R32.4Very low35.4Very low241 Ų241137.9 Ų137.991%0.90981%0.808SS**  56.7134.281.7-68.1-172.5173.7-164.8-1.7115
476G31Very low35.2Very low66 Ų66137.5 Ų137.568%0.6881%0.811SS**  cis166163.8-9.100000114.6
477S33.7Very low34.7Very low133 Ų133139.5 Ų139.593%0.9381%0.809SS**  trans70.5143.5163.948.40000123.8
478K34.6Very low34.6Very low202 Ų202147.2 Ų147.288%0.87882%0.816SS**  trans-86173.9162.7-102.4176.6179.4172.50109.9
479P41.2Very low34.4Very low104 Ų104140 Ų14068%0.67581%0.805SS**  cis-154.9173.634.742.3-19.8000121
480T33Very low34.4Very low136 Ų136146.3 Ų146.383%0.83482%0.816SS**  trans66.5159.6148.443.90000122.9
481P50.6Low34.2Very low119 Ų119145.1 Ų145.177%0.77382%0.82SS**  trans-114.3167.9-164.142.6-33.9000117.6
482K31.1Very low34.3Very low203 Ų203151.1 Ų151.188%0.88383%0.826SS**  trans-155.1170.1171-78.6-175.9-177.4173.70109.8
483V30.9Very low34.6Very low137 Ų137148.6 Ų148.683%0.8381%0.813SS**  cis-174.9142.1-47134.20000109.1
484S31.9Very low34.9Very low111 Ų111147.7 Ų147.778%0.77682%0.816SS**  trans-160.2120.4158.153.50000108.6
485A34.3Very low35.3Very low96 Ų96145.2 Ų145.279%0.79381%0.814SS**  70.6128.557.800000112.3
486A33.2Very low35.4Very low97 Ų97143.2 Ų143.280%0.80281%0.812SS**  cis-135.9-164200000109.6
487Q38.4Very low35.4Very low165 Ų165150.4 Ų150.477%0.77183%0.825SS**  cis-140.3147.915.4-86.7-150.477.700111.2
488R31.5Very low35.3Very low232 Ų232148.3 Ų148.388%0.87582%0.816SS**  39.5127.6102.2-68-177.2163.6-149.80117.1
489G30.6Very low35.9Very low69 Ų69144 Ų14471%0.71181%0.809SS**  cis-176.2178.4-5.700000116.1
490K34.5Very low35.9Very low217 Ų217145.3 Ų145.394%0.94382%0.817SS**  trans36.2140.6143.5-60.9-176.3174.9-174.20119.7
491A29.9Very low35.8Very low108 Ų108148.2 Ų148.289%0.89382%0.818SS**  cis-147.6-154.818.700000115.1
492R32.9Very low34.9Very low233 Ų233146.8 Ų146.888%0.87982%0.816SS**  trans-135.9177.2-162.1-161.9-160.1170.6-1393.5108
493P42Very low35.1Very low101 Ų101147.2 Ų147.266%0.65682%0.818SS**  cis-121.3-174.5-24.59.317.5000115.4
494L39.2Very low35.3Very low164 Ų164146.7 Ų146.786%0.85982%0.815SS**  trans-48.8157.1164.5-61.6163.5000115.7
495P44.1Very low35.5Very low115 Ų115147.3 Ų147.375%0.74782%0.816SS**  -153.3154.683.839.9-20.5000120.2
496K35.3Very low35.3Very low200 Ų200146.6 Ų146.687%0.8781%0.811SS**  trans30120144.5-57.1176.1-178.5177.30121.6
497K29.9Very low35.2Very low216 Ų216152 Ų15294%0.93982%0.816SS**  -168.5150.2127.8-119.1174.8-177.4176.40115.6
498A32.8Very low34.9Very low90 Ų90154.5 Ų154.574%0.74482%0.824SS**  trans-165.1166.5161.700000107.6
499P47.3Very low34.8Very low112 Ų112148 Ų14873%0.72782%0.82SS**  cis-112.4-158.5-13.641.1-27000111
500P39.8Very low35.1Very low131 Ų131154.7 Ų154.785%0.85182%0.824SS**  -132.3-176.6114.738.7-31.3000114.3
501K31.7Very low35.1Very low197 Ų197150.3 Ų150.386%0.85782%0.818SS**  trans-104.3145.5-161.8-62175.5-179.7174.40115.2
502A32.4Very low35.3Very low89 Ų89148.1 Ų148.174%0.73680%0.796SS**  trans25.4138.5139.900000122.7
503K35.1Very low36.1Very low212 Ų212142.9 Ų142.992%0.92279%0.792SS**  -131.2140.1124-74.7-166.7177.5-177.90110.4
504T34.4Very low35.5Very low126 Ų126143.7 Ų143.777%0.77380%0.795SS**  trans-109.9168.2165.949.80000109.3
505P36.4Very low35.2Very low123 Ų123141.3 Ų141.380%0.79979%0.787SS**  -118.1137.2110.6-7.327000111.8
506A30.8Very low34.8Very low81 Ų81143.2 Ų143.267%0.66979%0.79SS**  58.290.690.800000112.9
507K31.1Very low34.5Very low211 Ų211142.1 Ų142.192%0.91779%0.785SS**  45.7105.992.8-76.4-170.1175.3-177.90114.3
508K31.2Very low34.8Very low217 Ų217141.1 Ų141.194%0.94378%0.78SS**  trans-134153.8135.5-100.7-174.6178.3-179.90109.1
509A30.3Very low35Very low95 Ų95141.9 Ų141.979%0.78578%0.778SS**  trans-103.1167.2-167.800000113.3
510R35.2Very low34.2Very low210 Ų210142 Ų14279%0.79278%0.781SS**  trans-36.9139.9163.3-177.9-173.3-165.7-1327.7114.1S512R510-S512 PolarHBondContact NE-OG 2.59Å; R510-S512 PolarHBondContact NH2-OG 2.93Å
511P35.2Very low33.6Very low126 Ų126139.6 Ų139.682%0.81878%0.781SS**  trans-120.7134.6143.535.3-27.5000113
512S34.6Very low33.3Very low62 Ų62133.8 Ų133.843%0.43478%0.776SS.*  trans-174.7135.916561.50000104.7R510R510-S512 PolarHBondContact NE-OG 2.59Å; R510-S512 PolarHBondContact NH2-OG 2.93Å
513P48.8Very low33.1Very low123 Ų123135 Ų13580%0.79978%0.78SS**  cis-115.6-155.936.322.22.8000110.9
514T30.7Very low32.8Very low117 Ų117129.6 Ų129.672%0.71877%0.768SS**  cis-158.2142.435.539.30000115.7
515V31.5Very low32.7Very low114 Ų114133 Ų13369%0.69177%0.773SS**  46.1124.5129.2-161.90000117.6K517V515-K517 HydrophobicContact CG1-CG 4.48Å
516I35.3Very low32.5Very low156 Ų156136.7 Ų136.780%0.878%0.776SS**  -172.8148.989-80.2168.6000106.9
517K29.3Very low33.1Very low176 Ų176138.5 Ų138.577%0.76578%0.781SS**  cis-160.3159.7-25.3-101.1-175.2179.1177.10106.8V515V515-K517 HydrophobicContact CG1-CG 4.48Å
518K36.4Very low33.2Very low195 Ų195132.3 Ų132.385%0.84877%0.769SS**  trans-91.7154.2155.8-76-173177.7-177.80110
519P38.3Very low33.4Very low106 Ų106128.6 Ų128.669%0.68877%0.765SS**  -110.6160.6114.8-1736.4000111
520S29.5Very low33.6Very low114 Ų114129.5 Ų129.580%0.79777%0.766SS**  cis57.3126.53669.20000114.3
521G26.5Very low33.6Very low82 Ų82123.3 Ų123.385%0.84576%0.759SS**  cis133.8125.23.600000110.2
522G26.7Very low33.7Very low74 Ų74128.1 Ų128.176%0.76376%0.761SS**  trans101.6127.6165.200000118.3
523S27.2Very low33.8Very low115 Ų115132.8 Ų132.880%0.80477%0.774SS**  trans88.4149.8148.690.10000121.5
524S30.2Very low33.1Very low98 Ų98132.7 Ų132.769%0.68576%0.763SS**  trans84.498.7143.4-55.70000121.9
525K30.7Very low33.2Very low198 Ų198133 Ų13386%0.86176%0.764SS**  trans57.7112.6134.2-62.6177.7179.81760120.9
526K32.8Very low33.2Very low200 Ų200136.7 Ų136.787%0.8777%0.771SS**  39.6141.7106-95.9-173.5179.2-1760119.2
527P42.8Very low33.4Very low119 Ų119136.7 Ų136.777%0.77377%0.771SS**  -142.5164.464.940.4-25000118.7
528A33.6Very low34.3Very low81 Ų81134.7 Ų134.767%0.66978%0.776SS**  trans50.3143.4143.500000121.3
529T36.8Very low33.9Very low139 Ų139129.2 Ų129.285%0.85378%0.775SS**  cis-165.5166.1-6.9110000107.2
530S33.8Very low33.9Very low115 Ų115134.7 Ų134.780%0.80479%0.788SS**  cis-132.8-151.3-1.155.50000107.5
531A35.6Very low34Very low80 Ų80132.8 Ų132.866%0.66179%0.786SS**  cis-141.1142.8-11.100000106.4
532R36.8Very low34.3Very low227 Ų227138.9 Ų138.986%0.85779%0.789SS**  48.2134.986.9-65.8-169.2172.6-168.4-1.3116.3
533K35.9Very low34.7Very low160 Ų160140.1 Ų140.170%0.69679%0.787SS**  cis-119.5-141.17.9-146-164.7-172.3-51.80114.9
534E33.8Very low35Very low121 Ų121140.3 Ų140.357%0.56578%0.783SS**  trans-160.7162.4-146.3-64.4138.3-111.300111.4
535V34.5Very low35.2Very low122 Ų122143.5 Ų143.574%0.73979%0.789SS**  cis-178.1158.5-26.667.90000110.6
536K30.5Very low35.5Very low193 Ų193142.6 Ų142.684%0.83979%0.785SS**  trans86.6143149.2-107.3176.8175.4178.90123.8
537L39Very low35.9Very low155 Ų155142.4 Ų142.481%0.81278%0.784SS**  trans-83.9162.9150.6-52.8166.2000109.4
538P47.8Very low35.7Very low135 Ų135140.2 Ų140.288%0.87777%0.772SS**  -156.3-179.276.542.4-22.4000116.7
539G29.6Very low35.9Very low79 Ų79145.2 Ų145.281%0.81478%0.779SS**  trans150.8123.2156.300000116.3
540K37.4Very low36.1Very low222 Ų222149.5 Ų149.597%0.96578%0.78SS**  trans-115.5136.6164.7-78.8-175.3175.8-178.80109.2
541G30.9Very low36.5Very low74 Ų74150.3 Ų150.376%0.76378%0.779SS**  trans178.6103168.900000116.6
542K34.2Very low37.2Very low209 Ų209155.8 Ų155.891%0.90979%0.788SS**  trans27.7129.8146.6-52.5175.3-178.81790119.7
543S33.8Very low37.7Very low101 Ų101158 Ų15871%0.70680%0.804SS**  161.1124.591.9-150.50000115.3
544T34.1Very low37.8Very low118 Ų118158 Ų15872%0.72481%0.81SS**  trans34.7136139.460.50000124.5
545M34.7Very low38Very low165 Ų165159.9 Ų159.981%0.81382%0.822SS**  trans71.8152.6155.5-73-168.6178.100117.2
546K36.3Very low38.2Very low180 Ų180162 Ų16278%0.78383%0.827SS**  cis-149.8170.98.9-133.4160.2-175.1174.20112.7
547K41.4Very low38.7Very low195 Ų195160.2 Ų160.285%0.84883%0.826SS**  trans-44.5164.6161.7-73.5176.2175.6179.50114.1
548S39.2Very low38.7Very low74 Ų74160.5 Ų160.552%0.51783%0.827SS.*  cis-163.9169.4-7.742.20000108.7
549F37.2Very low38Very low185 Ų185162.2 Ų162.281%0.81182%0.824SS**  -163.9173.675.4-77.6-70.5000109.6
550R40.9Very low38.6Very low230 Ų230168.1 Ų168.187%0.86883%0.825SS**  cis83.9137.732-146.1-172.1-168.9-1615115.4
551V41.9Very low38.7Very low132 Ų132164 Ų16480%0.881%0.814SS**  trans81.2115-172.7-171.30000112.1
552K51.2Low39.4Very low195 Ų195171.5 Ų171.585%0.84882%0.818SS**  cis90.995.223.3-166.8-159.7176.6-173.60114.8
553K48Very low39.9Very low274 Ų274168.1 Ų168.1100%1.19181%0.81SS**  -142.80119.6-150.7172.1-175.1-178.20109.4

Retrieved 553 of 553 residues in 168.6 ms (Link to these results)