A0A5K4FC06_SCHMA Loading...

Myb_DNA-bind_5 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FC06, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 635 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.1Very low45.6Very low244 Ų244156.2 Ų156.2100%1.20285%0.846SS**  0166.30-78.4179.4166.900108.7
2A46.6Very low45.2Very low100 Ų100153.1 Ų153.183%0.82685%0.845SS**  trans65110-163.300000113.2
3Q40.7Very low44.8Very low162 Ų162150.8 Ų150.876%0.75784%0.838SS**  trans-125.6129.3176.4176.3-17124.300106.4
4F54.1Low44.5Very low205 Ų205153.1 Ų153.190%0.89984%0.839SS**  trans-133.4132.9171.4-88.4-84.2000109.3
5Q48.7Very low44.2Very low155 Ų155152.7 Ų152.772%0.72483%0.834SS**PPolyproline II helixtrans-103146.7176.8-66.5-171.5-300110.5
6P51.3Low44.2Very low126 Ų126150.6 Ų150.682%0.81883%0.83SS**PPolyproline II helixtrans-75.7139.8169.132-33.1000111
7I55.2Low44.4Very low156 Ų156146.9 Ų146.980%0.882%0.817SS**PPolyproline II helixtrans-88.3131.1175.9-65.7171.1000109.6
8S37.7Very low44.8Very low113 Ų113148.4 Ų148.479%0.7982%0.817SS**PPolyproline II helixtrans-79.2128.7171.4-64.30000111.4
9L45Very low45.1Very low165 Ų165149 Ų14986%0.86481%0.814SS**  trans-116.6100171.5-95.3166000110.4
10S37.4Very low45.3Very low112 Ų112145 Ų14578%0.78380%0.797SS**  trans-106.8100.317653.40000110.9
11Q42.4Very low45.9Very low180 Ų180142.6 Ų142.684%0.84179%0.786SS**  trans-136117162.9-78.6-168.8-500110.1
12S41.4Very low46.7Very low119 Ų119138 Ų13883%0.83276%0.762SS**  trans-90.9107.2173.451.80000110.1Q14S12-Q14 PolarHBondContact O-N 2.88Å
13V39.5Very low47.4Very low124 Ų124139.5 Ų139.575%0.75275%0.752SS**  trans-74.5116.8174.7-179.90000109.6L15V13-L15 HydrophobicContact CG1-CD1 4.27Å; V13-L15 PolarHBondContact O-N 2.86Å
14Q40.3Very low48.6Very low183 Ų183138.1 Ų138.186%0.85575%0.745SS**  trans-90.1101.6-176.1-173.9172-3.100111S12S12-Q14 PolarHBondContact O-N 2.88Å
15L40.9Very low49.2Very low146 Ų146134.3 Ų134.376%0.76473%0.73SS**  trans-74.3130.8173.4-85.675.2000110.9V13V13-L15 HydrophobicContact CG1-CD1 4.27Å; V13-L15 PolarHBondContact O-N 2.86Å
16P44Very low49.7Very low120 Ų120134 Ų13478%0.77973%0.729SS**  trans-74.7131170.730.1-33.1000111.1Q18P16-Q18 PolarHBondContact O-N 3.43Å
17S47.1Very low50.3Low87 Ų87133.8 Ų133.861%0.60872%0.717SS**  trans-81.1108.2179.348.20000111.7Q19 S20S17-Q19 PolarHBondContact O-N 2.91Å; S17-S20 PolarHBondContact O-N 3.41Å; S17-S20 PolarHBondContact O-OG 3.02Å
18Q51.8Low50.5Low174 Ų174132.6 Ų132.681%0.81371%0.708SS**THydrogen-bonded Turntrans-52.7-23.4-179.6-79.1-155.146.500114.9P16 S20 V21P16-Q18 PolarHBondContact O-N 3.43Å; Q18-S20 PolarHBondContact O-N 3.12Å; Q18-V21 PolarHBondContact O-N 3.18Å
19Q50.2Low51.3Low160 Ų160132.9 Ų132.975%0.74870%0.699SS**Hα-helixtrans-60.8-25.9-177.6-159.2171.522.300113.7S17S17-Q19 PolarHBondContact O-N 2.91Å
20S50.5Low51.5Low69 Ų69132 Ų13248%0.48370%0.695SS.*Hα-helixtrans-69.5-46.7176.154.70000112.8S17 Q18 Q22 Q23 Q24S17-S20 PolarHBondContact O-N 3.41Å; S17-S20 PolarHBondContact O-OG 3.02Å; Q18-S20 PolarHBondContact O-N 3.12Å; S20-Q22 PolarHBondContact O-N 3Å; S20-Q23 PolarHBondContact O-N 2.95Å; S20-Q24 PolarHBondContact O-N 3.07Å
21V57.1Low52.3Low95 Ų95134.4 Ų134.458%0.57669%0.694SS**Hα-helixtrans-63.8-43.5-174.3-171.30000111.3Q18 Q23 Q24 Q25Q18-V21 PolarHBondContact O-N 3.18Å; V21-Q23 VanDerWaalsContact C-N 3.34Å; V21-Q23 PolarHBondContact O-N 3.41Å; V21-Q24 PolarHBondContact O-N 3.09Å; V21-Q25 PolarHBondContact O-N 3.48Å
22Q57.8Low52.6Low146 Ų146133.4 Ų133.468%0.68269%0.689SS**Hα-helixtrans-66-35.4179.2-169.8173.270.900112.3S20 Q26S20-Q22 PolarHBondContact O-N 3Å; Q22-Q26 PolarHBondContact O-N 3.48Å
23Q63Low52.6Low133 Ų133134.7 Ų134.762%0.62169%0.687SS**Hα-helixtrans-72.7-30.7176.5-168.9173.296.200112.4S20 V21 Q27S20-Q23 PolarHBondContact O-N 2.95Å; V21-Q23 VanDerWaalsContact C-N 3.34Å; V21-Q23 PolarHBondContact O-N 3.41Å; Q23-Q27 PolarHBondContact O-N 3.33Å
24Q65.2Low52.4Low133 Ų133134 Ų13462%0.62168%0.684SS**Hα-helixtrans-72.8-41.5174.7-163.9172.72200111.9S20 V21 Q26 Q27 Q28S20-Q24 PolarHBondContact O-N 3.07Å; V21-Q24 PolarHBondContact O-N 3.09Å; Q24-Q26 VanDerWaalsContact C-N 3.34Å; Q24-Q26 PolarHBondContact O-N 3.38Å; Q24-Q27 PolarHBondContact O-N 3.48Å; Q24-Q28 PolarHBondContact O-N 3.5Å
25Q66.9Low52.1Low125 Ų125130.1 Ų130.158%0.58468%0.677SS**Hα-helixtrans-63.2-38.4176.2-170.1172.662.600112.1V21 Q27 Q28 I29V21-Q25 PolarHBondContact O-N 3.48Å; Q25-Q27 VanDerWaalsContact C-N 3.3Å; Q25-Q27 PolarHBondContact O-N 3.12Å; Q25-Q28 PolarHBondContact O-N 3.06Å; Q25-I29 PolarHBondContact O-N 3.43Å
26Q59.2Low51.8Low147 Ų147131 Ų13169%0.68768%0.677SS**Hα-helixtrans-66.6-29.2176.2-167.2169.596.400113Q22 Q24 L30Q22-Q26 PolarHBondContact O-N 3.48Å; Q24-Q26 VanDerWaalsContact C-N 3.34Å; Q24-Q26 PolarHBondContact O-N 3.38Å; Q26-L30 PolarHBondContact O-N 3.31Å
27Q63.5Low51.5Low122 Ų122135.7 Ų135.757%0.5768%0.681SS**Hα-helixtrans-73.9-33.8174.1-78-177.969.300113.4Q23 Q24 Q25 Q31Q23-Q27 PolarHBondContact O-N 3.33Å; Q24-Q27 PolarHBondContact O-N 3.48Å; Q25-Q27 VanDerWaalsContact C-N 3.3Å; Q25-Q27 PolarHBondContact O-N 3.12Å; Q27-Q31 PolarHBondContact O-N 3.15Å
28Q58.8Low50.9Low132 Ų132139.6 Ų139.662%0.61769%0.689SS**Hα-helixtrans-65.9-43.8175.6-76.9-174.7-23.200112.1Q24 Q25 L30 Q31Q24-Q28 PolarHBondContact O-N 3.5Å; Q25-Q28 PolarHBondContact O-N 3.06Å; Q28-L30 VanDerWaalsContact C-N 3.27Å; Q28-L30 PolarHBondContact O-N 2.8Å; Q28-Q31 PolarHBondContact O-N 3.42Å; Q28-Q31 VanDerWaalsContact O-N 3.12Å
29I55.8Low50Low118 Ų118138.8 Ų138.861%0.60569%0.69SS**Hα-helixtrans-61.3-36.9179.7-66.3168.4000111.4Q25 Q31Q25-I29 PolarHBondContact O-N 3.43Å; I29-Q31 VanDerWaalsContact C-N 3.27Å; I29-Q31 PolarHBondContact O-N 3.25Å
30L49.3Very low49.4Very low148 Ų148138.8 Ų138.878%0.77569%0.69SS**THydrogen-bonded Turntrans-76-10.7-179.8-150.773000113.9Q26 Q28Q26-L30 PolarHBondContact O-N 3.31Å; Q28-L30 VanDerWaalsContact C-N 3.27Å; Q28-L30 PolarHBondContact O-N 2.8Å
31Q54.2Low48.9Very low161 Ų161141.2 Ų141.275%0.75270%0.704SS**THydrogen-bonded Turntrans-103.4-11.1-174.8-148.3169.4115.400113.9Q27 Q28 I29Q27-Q31 PolarHBondContact O-N 3.15Å; Q28-Q31 PolarHBondContact O-N 3.42Å; Q28-Q31 VanDerWaalsContact O-N 3.12Å; I29-Q31 VanDerWaalsContact C-N 3.27Å; I29-Q31 PolarHBondContact O-N 3.25Å
32Q47.8Very low48Very low160 Ų160141.8 Ų141.875%0.74871%0.711SS**SBendtrans-92.12.2-177-74.6-169.3-13.900115.8P34Q32-P34 WeakPolarHBondContact O-CD 3.49Å
33N41.8Very low46.8Very low146 Ų146142.9 Ų142.978%0.78172%0.721SS**  trans-122.180.8-178.6-79.3-85.9000114.8
34P34.4Very low45.8Very low108 Ų108143.6 Ų143.670%0.70173%0.728SS**  trans-118.353.4172.441.7-30.6000114.1Q32Q32-P34 WeakPolarHBondContact O-CD 3.49Å
35C34.5Very low44.4Very low103 Ų103145 Ų14570%0.69673%0.732SS**  trans-123108.8165.5-67.40000108.9
36Q35.6Very low43Very low163 Ų163145 Ų14576%0.76274%0.743SS**  55.98578.2-73.3-71.315.600113.7
37Y36.4Very low42Very low220 Ų220144 Ų14486%0.86374%0.738SS**  trans-136.8102.2156.1-78.4-72.9000109.7
38Q34.4Very low40.7Very low169 Ų169146.6 Ų146.679%0.7975%0.748SS**  trans-66148.1168.7-17572.912.200109.5
39L34.2Very low39.5Very low157 Ų157144.9 Ų144.982%0.82275%0.75SS**  trans-78133170.9-69.2105.6000111.2
40E38Very low38.5Very low160 Ų160144.4 Ų144.475%0.74876%0.758SS**  trans-141.5120.1160.9-95-60.2155.300108.8C42E40-C42 PolarHBondContact O-N 2.63Å
41P39.9Very low37.7Very low120 Ų120145.6 Ų145.678%0.77976%0.764SS**  trans-91.989.1-178.534.6-31.8000111.9D43P41-D43 PolarHBondContact O-N 2.82Å
42C37.2Very low36.7Very low107 Ų107144.9 Ų144.972%0.72376%0.764SS**  trans-74.3104.7177.6-70.10000113.1E40 I44E40-C42 PolarHBondContact O-N 2.63Å; C42-I44 PolarHBondContact O-N 3.5Å
43D31.8Very low36.3Very low168 Ų168142.7 Ų142.790%0.89876%0.763SS**  trans-71.3110.4167.9-135.5-33.7000110.1P41P41-D43 PolarHBondContact O-N 2.82Å
44I41.9Very low35.9Very low148 Ų148140.8 Ų140.876%0.75976%0.761SS**  trans-123.8104.4176.1-59.1-175.6000110.8C42C42-I44 PolarHBondContact O-N 3.5Å
45K37.1Very low36.1Very low163 Ų163142.8 Ų142.871%0.70977%0.765SS**  trans-71.2127.8177178.5-178.4-179.2179.90111.3
46P37.6Very low35.9Very low125 Ų125143.1 Ų143.181%0.81277%0.768SS**  trans-75.3128.2177.330.2-33.6000111.1
47Q38.8Very low35.9Very low126 Ų126144.1 Ų144.159%0.58977%0.773SS**  trans-143.6149.1166-66.8-159.3-62.100111.4
48F35.7Very low35.6Very low177 Ų177139.9 Ų139.978%0.77677%0.77SS**  trans66.2156.9170-48.7-63.3000116.6
49S33.4Very low35.8Very low96 Ų96140.1 Ų140.167%0.67178%0.776SS**  cis-179.7148.4-43.6-1000000106.3
50S34.1Very low35.8Very low108 Ų108139.9 Ų139.976%0.75578%0.775SS**  trans39.5109.3155.960.10000119.1
51L34.1Very low35.5Very low173 Ų173137.4 Ų137.491%0.90678%0.775SS**  trans-158.1113.9134.3-109.4162.6000109.6
52I32.6Very low35.3Very low146 Ų146136.8 Ų136.875%0.74977%0.77SS**  trans-113119.9176.1-61.2172.4000107.6
53P39.2Very low35.4Very low114 Ų114138.8 Ų138.874%0.7477%0.773SS**  trans-90.398.61675.114.3000109.6
54S33.1Very low35.7Very low106 Ų106137.4 Ų137.474%0.74177%0.766SS**  trans-76.1123.1166.4-62.30000109.6
55I38.8Very low35.7Very low150 Ų150134.9 Ų134.977%0.76976%0.761SS**  trans-115.2109.2171-57.7179.2000108.5
56S30.4Very low35.8Very low110 Ų110134 Ų13477%0.76976%0.764SS**  trans-119.8119.5166.3-57.10000107.7
57Q36.3Very low36.2Very low184 Ų184136.1 Ų136.186%0.8677%0.769SS**  trans-128.4112.6168.8-74.2-165.8-8.600109.5
58T30.2Very low36.2Very low131 Ų131136.9 Ų136.980%0.80478%0.777SS**  trans-87.7124.4176.5-31.40000108.9
59L38.2Very low36.5Very low174 Ų174136.9 Ų136.991%0.91178%0.781SS**  trans-132.2143.8159.8-80.6178.3000110.2
60N32.7Very low36.7Very low151 Ų151138.8 Ų138.881%0.80778%0.784SS**  trans-94.6-179.1-172.3-105.7-21000111.7
61S33.3Very low36.7Very low108 Ų108140.2 Ų140.276%0.75578%0.782SS**  trans84.1140163.6-54.70000116.1
62T35.2Very low36.9Very low107 Ų107136.7 Ų136.766%0.65677%0.772SS**  cis-164.8139.4-7.1-99.30000110.5
63N38.3Very low37Very low150 Ų150138.6 Ų138.680%0.80278%0.778SS**  trans60.6166.6163.8-69.5-11.8000118.7
64N39.4Very low36.8Very low139 Ų139137.2 Ų137.274%0.74378%0.784SS**  cis-166.4173.5-40.3-168.712.8000107.6
65S40.7Very low36.8Very low94 Ų94135.4 Ų135.466%0.65778%0.782SS**  trans73.884.8163.4-57.10000118.3
66N40.6Very low36.5Very low144 Ų144136.9 Ų136.977%0.7779%0.79SS**  13.7132.6121.5-51.9-16.6000118.3
67N45.2Very low36.7Very low171 Ų171135 Ų13591%0.91479%0.788SS**  -161.7172.4103.2-96.3-30.5000112.3
68N38.5Very low36.6Very low142 Ų142131.4 Ų131.476%0.75978%0.783SS**  trans-131.5-175.5-159.8-163.4-2.6000111.5
69M41.9Very low36.9Very low176 Ų176131.8 Ų131.887%0.86779%0.785SS**  trans85.4110.3-172.6-49.8-157.1-59.500113.1
70N37.4Very low36.7Very low137 Ų137126.6 Ų126.673%0.73377%0.774SS**  cis89.8146.319.4-156.517.8000115.8
71L35.1Very low36.6Very low137 Ų137123.8 Ų123.872%0.71777%0.772SS**  trans65.6114.2-177.5-91.961.5000115.1
72S38Very low36.5Very low99 Ų99126 Ų12669%0.69277%0.774SS**  91.2155.868.381.10000112.4
73Q35Very low36.3Very low187 Ų187127.9 Ų127.987%0.87478%0.777SS**  cis-159.3141.96.6-156.1175.50.600110.8
74G33.7Very low36Very low84 Ų84126.6 Ų126.687%0.86678%0.775SS**  trans72.9167.816500000117.2
75G34.1Very low35.9Very low68 Ų68125.5 Ų125.570%0.70177%0.773SS**  cis171.7113.8-10.600000116.2
76I33.3Very low35.4Very low181 Ų181129.1 Ų129.193%0.92878%0.784SS**  trans52.9112.1143.7-43.6170.1000118.8
77G33.5Very low35Very low71 Ų71129.1 Ų129.173%0.73278%0.784SS**  trans158.390.316700000110.7
78S34.5Very low34.7Very low108 Ų108127.9 Ų127.976%0.75578%0.778SS**  cis79.5126.749.5-162.20000113.3
79V36.7Very low34.8Very low140 Ų140127.8 Ų127.885%0.84878%0.782SS**  trans63.5131.4-177.3-156.90000113.5
80G32.8Very low34.4Very low65 Ų65126.1 Ų126.167%0.6778%0.782SS**  cis130.2158-0.800000112
81A31.8Very low34.3Very low92 Ų92125.2 Ų125.276%0.7679%0.786SS**  trans74.2131.6166.900000119
82L30.9Very low34.3Very low154 Ų154122.2 Ų122.281%0.80679%0.788SS**  trans90.5121.6146.6-64.5163.7000122.2
83M30.1Very low34.4Very low146 Ų146125.2 Ų125.272%0.71980%0.795SS**  trans77.3123.3132.7-70.217469.600121.6
84T32.9Very low34.5Very low124 Ų124124 Ų12476%0.76179%0.794SS**  trans66.2146.1148.8520000116.2
85T36.9Very low34.7Very low116 Ų116127.7 Ų127.771%0.71279%0.794SS**  cis-144.2148.531.6-61.30000111.7D87T85-D87 HydrophobicContact CG2-CB 4.26Å
86L31.4Very low34.7Very low169 Ų169130.6 Ų130.689%0.88580%0.798SS**  trans-95.5113.3157.8-88170000107.7
87D31.8Very low34.9Very low144 Ų144128.5 Ų128.577%0.7779%0.794SS**  trans-163171158.7-118.7-44.2000111.1T85T85-D87 HydrophobicContact CG2-CB 4.26Å
88N38.1Very low35Very low146 Ų146131.5 Ų131.578%0.78180%0.798SS**  trans6692.8-174.5-60.5-29.1000116
89V40.7Very low34.9Very low140 Ų140129.6 Ų129.685%0.84880%0.796SS**  -152.2106.399.2-178.50000109.1
90V33.4Very low35Very low141 Ų141131.6 Ų131.686%0.85580%0.796SS**  trans-139.898.6164.1177.20000109.2
91S36Very low35Very low117 Ų117137.9 Ų137.982%0.81881%0.805SS**  trans-175.3136.9157.4-87.10000110.8
92G33.9Very low35.2Very low74 Ų74140.1 Ų140.176%0.76381%0.809SS**  trans85.5142.6-174.200000112.8
93I41.8Very low35.9Very low163 Ų163138.6 Ų138.684%0.83681%0.806SS**  cis-133.4131.64.5-65.7167.8000109.1
94N35.2Very low36.5Very low162 Ų162137 Ų13787%0.86681%0.809SS**  trans-84.4120.7168.6-64.8-23.2000109.7
95N38.4Very low37.1Very low160 Ų160137.9 Ų137.986%0.85681%0.806SS**  trans-157.1152.7141.5-136.6-17.7000113.2
96V34.1Very low37.4Very low129 Ų129137.1 Ų137.178%0.78280%0.798SS**  trans-108.8117.8-173176.80000110.7
97T37.9Very low38.4Very low138 Ų138136.7 Ų136.785%0.84779%0.791SS**  trans-136134.1157.2-54.90000109.9
98T36.6Very low39.5Very low133 Ų133132.6 Ų132.682%0.81678%0.777SS**  trans-65.9135.6-174.147.60000114.7
99G31.7Very low40.2Very low69 Ų69129.4 Ų129.471%0.71176%0.76SS**  trans105.982.4135.300000118.4
100Q38.3Very low40.9Very low181 Ų181126 Ų12685%0.84674%0.74SS**  trans-154.3140.8136.2-112.1163.327.800111.9V102Q100-V102 PolarHBondContact O-N 3.41Å
101F32.4Very low41.6Very low197 Ų197121.9 Ų121.986%0.86472%0.72SS**  trans-46107.6-167.3-59.4-93.6000116.3T103F101-T103 PolarHBondContact O-N 3.45Å
102V35.9Very low42.3Very low139 Ų139120.2 Ų120.284%0.84271%0.708SS**  trans-83.994.8156.7-176.30000107.7Q100 S104Q100-V102 PolarHBondContact O-N 3.41Å; V102-S104 PolarHBondContact O-N 2.91Å
103T45.8Very low43Very low122 Ų122124 Ų12475%0.74871%0.71SS**  trans-67123.2173.3-53.20000109.3F101 M105F101-T103 PolarHBondContact O-N 3.45Å; T103-M105 PolarHBondContact O-N 3.32Å
104S42.4Very low43.3Very low112 Ų112123.2 Ų123.278%0.78371%0.707SS**  trans-56.9112.1178.3-51.70000110.9V102 N106V102-S104 PolarHBondContact O-N 2.91Å; S104-N106 PolarHBondContact O-N 3.26Å
105M46.2Very low43.5Very low143 Ų143122.7 Ų122.770%0.70470%0.701SS**  trans-59.2133.5175.4-172.6173.1-69.200109.4T103 D109T103-M105 PolarHBondContact O-N 3.32Å; M105-D109 HydrophobicContact CG-CB 3.76Å; M105-D109 HydrophobicContact SD-CB 4.28Å
106N44.5Very low43.6Very low101 Ų101122.2 Ų122.254%0.5470%0.699SS.*  trans-74.1147.5-168.9-168.4-21.7000109.8S104 A108 D109 V110S104-N106 PolarHBondContact O-N 3.26Å; N106-A108 HydrophobicContact CB-CB 4.4Å; N106-A108 PolarHBondContact O-N 3.37Å; N106-A108 VanDerWaalsContact O-N 3.08Å; N106-A108 PolarHBondContact OD1-N 3.13Å; N106-D109 VanDerWaalsContact CB-OD2 3.28Å; N106-D109 WeakPolarHBondContact CB-OD2 3.27Å; N106-D109 PolarHBondContact N-OD2 3.42Å; N106-D109 WeakPolarHBondContact O-CB 3.28Å; N106-D109 PolarHBondContact O-N 3.42Å; N106-V110 PolarHBondContact O-N 2.93Å
107H50.5Low43.8Very low160 Ų160122 Ų12274%0.74170%0.7SS**Hα-helixtrans-57.3-23.4171.1-84.2-81.3000112.5V110 A111H107-V110 WeakPolarHBondContact O-CG2 3.49Å; H107-A111 WeakPolarHBondContact O-CB 3.45Å; H107-A111 PolarHBondContact O-N 3.31Å
108A56.6Low43.7Very low58 Ų58120.3 Ų120.348%0.47969%0.694SS.*Hα-helixtrans-62.9-36.4169.500000113.7N106 A111 S112N106-A108 HydrophobicContact CB-CB 4.4Å; N106-A108 PolarHBondContact O-N 3.37Å; N106-A108 VanDerWaalsContact O-N 3.08Å; N106-A108 PolarHBondContact OD1-N 3.13Å; A108-A111 PolarHBondContact O-N 2.86Å; A108-S112 PolarHBondContact O-N 3.1Å
109D51.3Low44.1Very low79 Ų79123.8 Ų123.842%0.42270%0.698SS.*Hα-helixtrans-73.2-44.4-176.8-55.7-46.4000110.6M105 N106 A111 S112 L113M105-D109 HydrophobicContact CG-CB 3.76Å; M105-D109 HydrophobicContact SD-CB 4.28Å; N106-D109 VanDerWaalsContact CB-OD2 3.28Å; N106-D109 WeakPolarHBondContact CB-OD2 3.27Å; N106-D109 PolarHBondContact N-OD2 3.42Å; N106-D109 WeakPolarHBondContact O-CB 3.28Å; N106-D109 PolarHBondContact O-N 3.42Å; D109-A111 VanDerWaalsContact C-N 3.34Å; D109-S112 WeakPolarHBondContact O-CB 3.48Å; D109-S112 PolarHBondContact O-N 3.42Å; D109-S112 PolarHBondContact O-OG 2.94Å; D109-L113 PolarHBondContact O-N 3.49Å
110V56.8Low44.5Very low69 Ų69131.1 Ų131.142%0.41870%0.704SS.*Hα-helixtrans-70.4-27.7172.8-70.40000112.9N106 H107 S112 L113 L114N106-V110 PolarHBondContact O-N 2.93Å; H107-V110 WeakPolarHBondContact O-CG2 3.49Å; V110-S112 VanDerWaalsContact C-N 3.33Å; V110-L113 WeakPolarHBondContact O-CB 3.29Å; V110-L113 PolarHBondContact O-N 2.95Å; V110-L114 PolarHBondContact O-N 2.92Å
111A48.1Very low44.7Very low53 Ų53126.2 Ų126.244%0.43869%0.694SS.*Hα-helixtrans-66.5-34.7168.900000112H107 A108 D109 L113 L114 M115H107-A111 WeakPolarHBondContact O-CB 3.45Å; H107-A111 PolarHBondContact O-N 3.31Å; A108-A111 PolarHBondContact O-N 2.86Å; D109-A111 VanDerWaalsContact C-N 3.34Å; A111-L113 PolarHBondContact O-N 3.42Å; A111-L114 PolarHBondContact O-N 2.9Å; A111-L114 VanDerWaalsContact O-N 3.13Å; A111-M115 WeakPolarHBondContact O-CG 3.44Å; A111-M115 PolarHBondContact O-N 2.97Å
112S50.5Low46Very low82 Ų82121.3 Ų121.357%0.57367%0.674SS**Hα-helixtrans-62.5-30.4174.185.70000112.7A108 D109 V110 L114A108-S112 PolarHBondContact O-N 3.1Å; D109-S112 WeakPolarHBondContact O-CB 3.48Å; D109-S112 PolarHBondContact O-N 3.42Å; D109-S112 PolarHBondContact O-OG 2.94Å; V110-S112 VanDerWaalsContact C-N 3.33Å; S112-L114 VanDerWaalsContact C-N 3.32Å
113L49Very low48Very low153 Ų153119.6 Ų119.680%0.80166%0.664SS**Hα-helixtrans-74.4-21.4176.9-150.177.3000113.3D109 V110 A111D109-L113 PolarHBondContact O-N 3.49Å; V110-L113 WeakPolarHBondContact O-CB 3.29Å; V110-L113 PolarHBondContact O-N 2.95Å; A111-L113 PolarHBondContact O-N 3.42Å
114L46.4Very low49.9Very low147 Ų147114.7 Ų114.777%0.7763%0.633SS**Hα-helixtrans-100.7-1.8-179.5-71.6170.2000113.5V110 A111 S112 N116V110-L114 PolarHBondContact O-N 2.92Å; A111-L114 PolarHBondContact O-N 2.9Å; A111-L114 VanDerWaalsContact O-N 3.13Å; S112-L114 VanDerWaalsContact C-N 3.32Å; L114-N116 PolarHBondContact O-N 3.43Å
115M41Very low51.9Low151 Ų151113.1 Ų113.174%0.74462%0.618SS**SBendtrans-72117.2171.5-60.3-144.280.900109.6A111A111-M115 WeakPolarHBondContact O-CG 3.44Å; A111-M115 PolarHBondContact O-N 2.97Å
116N39.2Very low53.7Low151 Ų151110.6 Ų110.681%0.80761%0.606SS**  trans-46.2135172.7-91.7-51.2000110.6L114 S118L114-N116 PolarHBondContact O-N 3.43Å; N116-S118 PolarHBondContact O-N 3.33Å
117P38.4Very low55.7Low124 Ų124109.3 Ų109.381%0.80560%0.599SS**  trans-72.274.7178.530.2-35.3000110.5K119P117-K119 PolarHBondContact O-N 3.12Å
118S37Very low57.6Low103 Ų103102 Ų10272%0.7257%0.566SS**  trans-58.4104-176.4-176.20000110.7N116 R120N116-S118 PolarHBondContact O-N 3.33Å; S118-R120 PolarHBondContact O-N 2.83Å
119K44.8Very low59.2Low205 Ų20599.4 Ų99.489%0.89154%0.544SS*.  trans20.946.4169.9-62.5-174.7-179.5179.90116P117 A121P117-K119 PolarHBondContact O-N 3.12Å; K119-A121 VanDerWaalsContact C-N 3.26Å; K119-A121 PolarHBondContact O-N 3.26Å
120R38.9Very low61Low224 Ų22498.5 Ų98.585%0.84554%0.536SS*.  trans-71.188178.6-176.3179.9-74.1168.3-1.8107.5S118S118-R120 PolarHBondContact O-N 2.83Å
121A44Very low62.6Low78 Ų7896.3 Ų96.365%0.64552%0.523SS*.  trans-45.5139.2-173.400000110.7K119 T123K119-A121 VanDerWaalsContact C-N 3.26Å; K119-A121 PolarHBondContact O-N 3.26Å; A121-T123 VanDerWaalsContact C-N 3.25Å; A121-T123 PolarHBondContact O-N 3.4Å
122E58.1Low64.8Low93 Ų9393.8 Ų93.844%0.43550%0.502SS..  trans-61.284.1-169.1-75.2-160.169.200113.6F124 R175 Q179 K183E122-F124 HydrophobicContact CB-CE2 4.43Å; E122-F124 PolarHBondContact O-N 2.93Å; E122-R175 IonicContact OE1-CZ 3.02Å; E122-R175 IonicContact OE1-NH1 3.16Å; E122-R175 PolarHBondContact OE1-NH1 3.43Å; E122-Q179 PolarHBondContact OE1-NE2 3.32Å; E122-Q179 VanDerWaalsContact OE1-NE2 3.07Å; E122-Q179 WeakPolarHBondContact OE2-CG 3.41Å; E122-Q179 PolarHBondContact OE2-NE2 3.03Å; E122-K183 PolarHBondContact O-NZ 3.41Å
123T78.2Confident66.8Low103 Ų10390.6 Ų90.663%0.63248%0.478SS*.PPolyproline II helixtrans-72.8117.1169.5410000106.6A121 R175A121-T123 VanDerWaalsContact C-N 3.25Å; A121-T123 PolarHBondContact O-N 3.4Å; T123-R175 PolarHBondContact O-NH2 2.96Å
124F85.5Confident68.9Low20 Ų2090 Ų909%0.08847%0.47CS..PPolyproline II helixtrans-90.6135.8166-73.5-133.9000105.4E122 E128 V129 M132 M165 R175 Q179 V180 K183E122-F124 HydrophobicContact CB-CE2 4.43Å; E122-F124 PolarHBondContact O-N 2.93Å; F124-E128 WeakPolarHBondContact CA-OE2 3.33Å; F124-E128 HydrophobicContact CB-CG 4.42Å; F124-E128 WeakPolarHBondContact CB-OE2 3.32Å; F124-E128 HydrophobicContact CD1-CG 4.03Å; F124-V129 HydrophobicContact CB-CG2 3.48Å; F124-V129 VanDerWaalsContact CB-CG2 3.48Å; F124-V129 HydrophobicContact CD1-CG2 4.37Å; F124-V129 HydrophobicContact CG-CG2 4.33Å; F124-M132 HydrophobicContact CD1-SD 4.47Å; F124-M132 HydrophobicContact CE1-SD 4.22Å; F124-M165 HydrophobicContact CD1-CE 4.16Å; F124-M165 HydrophobicContact CE1-CE 4.02Å; F124-R175 HydrophobicContact CE1-CG 4.02Å; F124-R175 HydrophobicContact CZ-CG 4.02Å; F124-Q179 HydrophobicContact CZ-CB 4.39Å; F124-V180 HydrophobicContact CE1-CG2 4.41Å; F124-K183 HydrophobicContact CB-CD 4.44Å; F124-K183 HydrophobicContact CD1-CB 4.39Å; F124-K183 HydrophobicContact CD1-CD 4.42Å; F124-K183 HydrophobicContact CD1-CG 3.85Å; F124-K183 HydrophobicContact CD2-CB 4.4Å; F124-K183 HydrophobicContact CD2-CD 3.65Å; F124-K183 HydrophobicContact CD2-CG 3.93Å; F124-K183 HydrophobicContact CE1-CB 3.91Å; F124-K183 HydrophobicContact CE1-CG 3.89Å; F124-K183 HydrophobicContact CE2-CB 3.91Å; F124-K183 HydrophobicContact CE2-CD 3.93Å; F124-K183 HydrophobicContact CE2-CG 3.96Å; F124-K183 HydrophobicContact CG-CD 3.92Å; F124-K183 HydrophobicContact CG-CG 3.87Å; F124-K183 HydrophobicContact CZ-CB 3.65Å; F124-K183 HydrophobicContact CZ-CD 4.43Å; F124-K183 HydrophobicContact CZ-CG 3.95Å
125V85.7Confident71.1Confident79 Ų7983.8 Ų83.848%0.47944%0.436SS..PPolyproline II helixtrans-64.2150176.2-176.20000108.8D127 E128 V129V125-D127 PolarHBondContact O-N 2.94Å; V125-E128 HydrophobicContact CB-CB 3.97Å; V125-E128 PolarHBondContact N-OE2 3.47Å; V125-E128 WeakPolarHBondContact O-CB 3.17Å; V125-E128 PolarHBondContact O-N 2.97Å; V125-E128 VanDerWaalsContact O-N 3.12Å; V125-V129 WeakPolarHBondContact O-CG2 3.42Å; V125-V129 PolarHBondContact O-N 2.89Å
126I84Confident73.6Confident89 Ų8976.6 Ų76.646%0.45640%0.401SS..Hα-helixtrans-54.4-44.2-178-69.6173.1000110.8V129 K130I126-V129 PolarHBondContact O-N 3.33Å; I126-K130 WeakPolarHBondContact O-CG 3.44Å; I126-K130 PolarHBondContact O-N 3.41Å
127D86.2Confident76.1Confident74 Ų7473 Ų7340%0.39638%0.38SS..Hα-helixtrans-77.2-26.4-179-53-58.6000113.6V125 V129 K130 V131 W169V125-D127 PolarHBondContact O-N 2.94Å; D127-V129 VanDerWaalsContact C-N 3.32Å; D127-K130 PolarHBondContact O-N 3.2Å; D127-K130 WeakPolarHBondContact OD1-CD 3.47Å; D127-K130 IonicContact OD1-NZ 3.34Å; D127-K130 PolarHBondContact OD1-NZ 3.41Å; D127-V131 WeakPolarHBondContact O-CG2 3.46Å; D127-V131 PolarHBondContact O-N 3Å; D127-W169 HydrophobicContact CB-CZ2 3.81Å
128E89.8Confident78.6Confident7 Ų770.1 Ų70.13%0.03337%0.366CS..Hα-helixtrans-61.1-42.2165.8178.7-172.9-171.200110.3F124 V125 V131 M132 M165 R175F124-E128 WeakPolarHBondContact CA-OE2 3.33Å; F124-E128 HydrophobicContact CB-CG 4.42Å; F124-E128 WeakPolarHBondContact CB-OE2 3.32Å; F124-E128 HydrophobicContact CD1-CG 4.03Å; V125-E128 HydrophobicContact CB-CB 3.97Å; V125-E128 PolarHBondContact N-OE2 3.47Å; V125-E128 WeakPolarHBondContact O-CB 3.17Å; V125-E128 PolarHBondContact O-N 2.97Å; V125-E128 VanDerWaalsContact O-N 3.12Å; E128-V131 PolarHBondContact O-N 3.26Å; E128-M132 PolarHBondContact O-N 3.44Å; E128-M165 HydrophobicContact CG-CE 3.59Å; E128-R175 WeakPolarHBondContact OE1-CG 3.4Å; E128-R175 IonicContact OE1-CZ 3.91Å; E128-R175 IonicContact OE1-NE 2.74Å; E128-R175 PolarHBondContact OE1-NE 3.49Å; E128-R175 IonicContact OE1-NH2 2.76Å; E128-R175 PolarHBondContact OE1-NH2 3.42Å; E128-R175 VanDerWaalsContact OE1-NH2 3.15Å; E128-R175 IonicContact OE2-CZ 2.75Å; E128-R175 IonicContact OE2-NE 3.04Å; E128-R175 IonicContact OE2-NH2 2.74Å; E128-R175 PolarHBondContact OE2-NH2 3.32Å
129V89.7Confident81.3Confident4 Ų466.9 Ų66.92%0.02434%0.338CS..Hα-helixtrans-70.1-35.6173.9-173.10000112F124 V125 I126 D127 V131 M132 L133 L187 T209F124-V129 HydrophobicContact CB-CG2 3.48Å; F124-V129 VanDerWaalsContact CB-CG2 3.48Å; F124-V129 HydrophobicContact CD1-CG2 4.37Å; F124-V129 HydrophobicContact CG-CG2 4.33Å; V125-V129 WeakPolarHBondContact O-CG2 3.42Å; V125-V129 PolarHBondContact O-N 2.89Å; I126-V129 PolarHBondContact O-N 3.33Å; D127-V129 VanDerWaalsContact C-N 3.32Å; V129-V131 VanDerWaalsContact C-N 3.29Å; V129-V131 PolarHBondContact O-N 3.06Å; V129-M132 HydrophobicContact CG1-CE 4.01Å; V129-M132 WeakPolarHBondContact O-CB 3.42Å; V129-M132 PolarHBondContact O-N 3.02Å; V129-L133 HydrophobicContact CG1-CD1 4.24Å; V129-L133 HydrophobicContact CG1-CG 4.25Å; V129-L133 VanDerWaalsContact O-CG 3.31Å; V129-L133 WeakPolarHBondContact O-CG 3.48Å; V129-L133 PolarHBondContact O-N 3.25Å; V129-L187 HydrophobicContact CG1-CD1 3.65Å; V129-T209 HydrophobicContact CB-CG2 4.21Å; V129-T209 HydrophobicContact CG1-CG2 3.48Å; V129-T209 VanDerWaalsContact CG1-CG2 3.48Å
130K89.4Confident83.5Confident60 Ų6060.1 Ų60.126%0.26131%0.308SS..Hα-helixtrans-60.9-38.9172.8-69.8175.1-170.9167.90112.1I126 D127 K134 E208I126-K130 WeakPolarHBondContact O-CG 3.44Å; I126-K130 PolarHBondContact O-N 3.41Å; D127-K130 PolarHBondContact O-N 3.2Å; D127-K130 WeakPolarHBondContact OD1-CD 3.47Å; D127-K130 IonicContact OD1-NZ 3.34Å; D127-K130 PolarHBondContact OD1-NZ 3.41Å; K130-K134 WeakPolarHBondContact O-CG 3.45Å; K130-K134 PolarHBondContact O-N 2.85Å; K130-E208 WeakPolarHBondContact CE-OE1 3.37Å; K130-E208 WeakPolarHBondContact CE-OE2 3.44Å; K130-E208 IonicContact NZ-OE1 2.82Å; K130-E208 PolarHBondContact NZ-OE1 3.45Å; K130-E208 IonicContact NZ-OE2 3.97Å; K130-E208 PolarHBondContact NZ-OE2 3.17Å
131V91.4Very high85.8Confident23 Ų2355.8 Ų55.814%0.13930%0.297CS..Hα-helixtrans-65.2-47.9172.3170.60000110.8D127 E128 V129 L133 K134 E135 M165 R168D127-V131 WeakPolarHBondContact O-CG2 3.46Å; D127-V131 PolarHBondContact O-N 3Å; E128-V131 PolarHBondContact O-N 3.26Å; V129-V131 VanDerWaalsContact C-N 3.29Å; V129-V131 PolarHBondContact O-N 3.06Å; V131-L133 VanDerWaalsContact C-N 3.3Å; V131-L133 PolarHBondContact O-N 3.25Å; V131-K134 PolarHBondContact O-N 3.4Å; V131-K134 VanDerWaalsContact O-N 3.16Å; V131-E135 HydrophobicContact CG1-CG 4.38Å; V131-E135 PolarHBondContact O-N 3.03Å; V131-M165 HydrophobicContact CG1-CG 4Å; V131-R168 HydrophobicContact CG1-CB 4.19Å; V131-R168 HydrophobicContact CG1-CG 4.42Å
132M93.2Very high88.1Confident0 Ų054 Ų540%028%0.276CS..Hα-helixtrans-52.9-46.2177.3-170.8-174.483.900112.2F124 E128 V129 E135 I136 V161 M165 V180 K183 W184 L187F124-M132 HydrophobicContact CD1-SD 4.47Å; F124-M132 HydrophobicContact CE1-SD 4.22Å; E128-M132 PolarHBondContact O-N 3.44Å; V129-M132 HydrophobicContact CG1-CE 4.01Å; V129-M132 WeakPolarHBondContact O-CB 3.42Å; V129-M132 PolarHBondContact O-N 3.02Å; M132-E135 PolarHBondContact O-N 3.5Å; M132-I136 HydrophobicContact CE-CD1 4.12Å; M132-I136 HydrophobicContact CG-CD1 3.78Å; M132-I136 WeakPolarHBondContact O-CB 3.49Å; M132-I136 WeakPolarHBondContact O-CG1 3.45Å; M132-I136 PolarHBondContact O-N 3.16Å; M132-I136 HydrophobicContact SD-CD1 4.48Å; M132-V161 HydrophobicContact CG-CG1 4.49Å; M132-M165 HydrophobicContact CB-CE 3.86Å; M132-M165 HydrophobicContact CB-SD 3.59Å; M132-M165 VanDerWaalsContact CB-SD 3.59Å; M132-M165 HydrophobicContact CG-CE 4.24Å; M132-M165 HydrophobicContact CG-SD 3.62Å; M132-V180 HydrophobicContact CG-CG1 3.87Å; M132-V180 HydrophobicContact SD-CG1 3.96Å; M132-K183 HydrophobicContact CE-CG 4.24Å; M132-K183 HydrophobicContact SD-CB 4.17Å; M132-K183 HydrophobicContact SD-CG 4.1Å; M132-W184 HydrophobicContact CE-CB 4.2Å; M132-W184 HydrophobicContact CE-CE3 4.49Å; M132-L187 HydrophobicContact CE-CD1 3.77Å
133L92.6Very high89.7Confident14 Ų1450.3 Ų50.37%0.07326%0.26CS..Hα-helixtrans-64.8-40.4-180-67.1172.7000112.4V129 V131 I136 E137 W184 A212 V213V129-L133 HydrophobicContact CG1-CD1 4.24Å; V129-L133 HydrophobicContact CG1-CG 4.25Å; V129-L133 VanDerWaalsContact O-CG 3.31Å; V129-L133 WeakPolarHBondContact O-CG 3.48Å; V129-L133 PolarHBondContact O-N 3.25Å; V131-L133 VanDerWaalsContact C-N 3.3Å; V131-L133 PolarHBondContact O-N 3.25Å; L133-I136 PolarHBondContact O-N 3.45Å; L133-E137 WeakPolarHBondContact O-CB 3.42Å; L133-E137 PolarHBondContact O-N 3.48Å; L133-W184 HydrophobicContact CD2-CE3 3.98Å; L133-W184 HydrophobicContact CD2-CZ3 3.61Å; L133-A212 HydrophobicContact CD1-CB 3.7Å; L133-V213 HydrophobicContact CD1-CG2 4.01Å; L133-V213 HydrophobicContact CD2-CG2 3.74Å
134K92.6Very high90.2Very high142 Ų14248.2 Ų48.262%0.61724%0.244SC*.Hα-helixtrans-63.9-42.6176.2-71.6174.8179.3-176.80112.5K130 V131 E137 A138K130-K134 WeakPolarHBondContact O-CG 3.45Å; K130-K134 PolarHBondContact O-N 2.85Å; V131-K134 PolarHBondContact O-N 3.4Å; V131-K134 VanDerWaalsContact O-N 3.16Å; K134-E137 PolarHBondContact O-N 3.43Å; K134-A138 PolarHBondContact O-N 3.41Å
135E94.2Very high90.3Very high15 Ų1548.7 Ų48.77%0.0725%0.25CS..Hα-helixtrans-72.6-33.5179.5-66.7-62158.400112.7V131 M132 E137 R139 V161 C164 R168V131-E135 HydrophobicContact CG1-CG 4.38Å; V131-E135 PolarHBondContact O-N 3.03Å; M132-E135 PolarHBondContact O-N 3.5Å; E135-E137 VanDerWaalsContact C-N 3.33Å; E135-R139 PolarHBondContact O-N 3.28Å; E135-R139 PolarHBondContact O-NH1 2.93Å; E135-R139 IonicContact OE2-CZ 3.15Å; E135-R139 IonicContact OE2-NH1 3.39Å; E135-R139 PolarHBondContact OE2-NH1 3Å; E135-V161 HydrophobicContact CB-CB 4.41Å; E135-V161 HydrophobicContact CB-CG1 3.98Å; E135-V161 HydrophobicContact CB-CG2 4.08Å; E135-C164 VanDerWaalsContact CD-CB 3.48Å; E135-C164 HydrophobicContact CG-CB 3.8Å; E135-R168 IonicContact OE1-CZ 3.15Å; E135-R168 IonicContact OE1-NE 2.66Å; E135-R168 PolarHBondContact OE1-NE 3.48Å; E135-R168 IonicContact OE1-NH2 2.68Å; E135-R168 PolarHBondContact OE1-NH2 3.03Å
136I93.7Very high90.1Very high0 Ų053.1 Ų53.10%027%0.27CS..Hα-helixtrans-65.2-37.9168.6-70168.8000110.4M132 L133 R139 K140 L143 W158 V161 W184 F216M132-I136 HydrophobicContact CE-CD1 4.12Å; M132-I136 HydrophobicContact CG-CD1 3.78Å; M132-I136 WeakPolarHBondContact O-CB 3.49Å; M132-I136 WeakPolarHBondContact O-CG1 3.45Å; M132-I136 PolarHBondContact O-N 3.16Å; M132-I136 HydrophobicContact SD-CD1 4.48Å; L133-I136 PolarHBondContact O-N 3.45Å; I136-R139 CarbonylContact O-C 3.27Å; I136-R139 PolarHBondContact O-N 3.07Å; I136-K140 WeakPolarHBondContact O-CA 3.46Å; I136-K140 PolarHBondContact O-N 2.85Å; I136-L143 HydrophobicContact CB-CD1 4.28Å; I136-L143 HydrophobicContact CG1-CD1 4.19Å; I136-L143 HydrophobicContact CG2-CD1 4.14Å; I136-W158 HydrophobicContact CD1-CH2 3.87Å; I136-W158 HydrophobicContact CD1-CZ3 3.75Å; I136-W158 HydrophobicContact CG1-CH2 4.09Å; I136-W158 HydrophobicContact CG1-CZ3 3.82Å; I136-V161 HydrophobicContact CG1-CG1 4.19Å; I136-V161 HydrophobicContact CG1-CG2 4.28Å; I136-W184 HydrophobicContact CD1-CB 4.05Å; I136-W184 HydrophobicContact CD1-CD2 3.85Å; I136-W184 HydrophobicContact CD1-CE3 3.8Å; I136-W184 HydrophobicContact CD1-CG 3.98Å; I136-W184 HydrophobicContact CG2-CZ2 4.41Å; I136-F216 HydrophobicContact CG2-CE2 4.09Å; I136-F216 HydrophobicContact CG2-CZ 3.75Å
137E90.4Very high90.1Very high77 Ų7751.3 Ų51.336%0.3627%0.266SS..Hα-helixtrans-67.1-43.2178-159.9-170.1160.200112.8L133 K134 E135 R139 K140 F216L133-E137 WeakPolarHBondContact O-CB 3.42Å; L133-E137 PolarHBondContact O-N 3.48Å; K134-E137 PolarHBondContact O-N 3.43Å; E135-E137 VanDerWaalsContact C-N 3.33Å; E137-R139 PolarHBondContact O-N 3.45Å; E137-K140 HydrophobicContact CG-CD 3.84Å; E137-K140 VanDerWaalsContact CG-NZ 3.31Å; E137-K140 WeakPolarHBondContact O-CB 3.46Å; E137-K140 VanDerWaalsContact O-CD 3.24Å; E137-K140 WeakPolarHBondContact O-CD 3.44Å; E137-K140 WeakPolarHBondContact O-CE 3.32Å; E137-K140 WeakPolarHBondContact O-CG 3.36Å; E137-K140 PolarHBondContact O-N 2.95Å; E137-K140 IonicContact OE1-NZ 3.97Å; E137-K140 PolarHBondContact OE1-NZ 3.31Å; E137-F216 HydrophobicContact CB-CD2 4.3Å; E137-F216 HydrophobicContact CB-CE2 3.84Å; E137-F216 HydrophobicContact CG-CD2 4.2Å; E137-F216 HydrophobicContact CG-CE2 3.92Å
138A92.1Very high90Very high62 Ų6252.5 Ų52.551%0.51228%0.277SS..Hα-helixtrans-55.5-36.7173.300000112.1K134 H141K134-A138 PolarHBondContact O-N 3.41Å; A138-H141 PolarHBondContact O-CE1 2.95Å; A138-H141 PolarHBondContact O-ND1 3.49Å
139R93.1Very high89.7Confident36 Ų3657 Ų5714%0.13631%0.309CS..THydrogen-bonded Turntrans-101.912.9-176.3-65175.5-17782.2-3.5114.4E135 I136 E137 H141 I142 L143 E160 C164E135-R139 PolarHBondContact O-N 3.28Å; E135-R139 PolarHBondContact O-NH1 2.93Å; E135-R139 IonicContact OE2-CZ 3.15Å; E135-R139 IonicContact OE2-NH1 3.39Å; E135-R139 PolarHBondContact OE2-NH1 3Å; I136-R139 CarbonylContact O-C 3.27Å; I136-R139 PolarHBondContact O-N 3.07Å; E137-R139 PolarHBondContact O-N 3.45Å; R139-H141 PolarHBondContact O-N 3.31Å; R139-H141 VanDerWaalsContact O-N 3.12Å; R139-I142 PolarHBondContact O-N 3.12Å; R139-L143 HydrophobicContact CB-CD1 3.79Å; R139-L143 HydrophobicContact CB-CG 4.08Å; R139-L143 PolarHBondContact O-N 2.9Å; R139-E160 IonicContact CZ-OE2 3.92Å; R139-E160 VanDerWaalsContact CZ-OE2 3.29Å; R139-E160 IonicContact NE-OE2 2.96Å; R139-E160 PolarHBondContact NE-OE2 2.95Å; R139-E160 IonicContact NH2-OE2 3.81Å; R139-E160 PolarHBondContact NH2-OE2 2.93Å; R139-C164 PolarHBondContact NH2-SG 3.33Å
140K90.5Very high89.6Confident62 Ų6257.8 Ų57.827%0.2732%0.315SS..Hα-helixtrans-55.9-34.5-173.663.8-167.2159.5-169.40114.1I136 E137 I142 L144 F216 H220I136-K140 WeakPolarHBondContact O-CA 3.46Å; I136-K140 PolarHBondContact O-N 2.85Å; E137-K140 HydrophobicContact CG-CD 3.84Å; E137-K140 VanDerWaalsContact CG-NZ 3.31Å; E137-K140 WeakPolarHBondContact O-CB 3.46Å; E137-K140 VanDerWaalsContact O-CD 3.24Å; E137-K140 WeakPolarHBondContact O-CD 3.44Å; E137-K140 WeakPolarHBondContact O-CE 3.32Å; E137-K140 WeakPolarHBondContact O-CG 3.36Å; E137-K140 PolarHBondContact O-N 2.95Å; E137-K140 IonicContact OE1-NZ 3.97Å; E137-K140 PolarHBondContact OE1-NZ 3.31Å; K140-I142 VanDerWaalsContact C-N 3.28Å; K140-I142 PolarHBondContact O-N 3.36Å; K140-L144 HydrophobicContact CB-CD1 3.97Å; K140-L144 HydrophobicContact CB-CG 4.26Å; K140-L144 VanDerWaalsContact O-CB 3.3Å; K140-L144 WeakPolarHBondContact O-CB 3.43Å; K140-L144 WeakPolarHBondContact O-CG 3.38Å; K140-L144 PolarHBondContact O-N 2.92Å; K140-F216 HydrophobicContact CB-CZ 4.34Å; K140-H220 VanDerWaalsContact CD-NE2 3.27Å; K140-H220 WeakPolarHBondContact CD-NE2 3.47Å; K140-H220 PolarHBondContact NZ-CE1 2.93Å; K140-H220 PolarHBondContact NZ-NE2 2.92Å
141H87.8Confident89.6Confident134 Ų13459.1 Ų59.162%0.6232%0.324SS*.Hα-helixtrans-64.1-27.7177.962.4-85.2000113.5A138 R139A138-H141 PolarHBondContact O-CE1 2.95Å; A138-H141 PolarHBondContact O-ND1 3.49Å; R139-H141 PolarHBondContact O-N 3.31Å; R139-H141 VanDerWaalsContact O-N 3.12Å
142I92Very high89.6Confident39 Ų3966.8 Ų66.820%0.235%0.351CS..Hα-helixtrans-90.6-53.9170.6-67.1159.4000110.1R139 K140 L144 S145 L153 K154 A157R139-I142 PolarHBondContact O-N 3.12Å; K140-I142 VanDerWaalsContact C-N 3.28Å; K140-I142 PolarHBondContact O-N 3.36Å; I142-L144 PolarHBondContact O-N 3.36Å; I142-S145 WeakPolarHBondContact O-CB 3.44Å; I142-S145 PolarHBondContact O-N 3.34Å; I142-S145 PolarHBondContact O-OG 3.19Å; I142-L153 HydrophobicContact CG2-CB 3.81Å; I142-K154 HydrophobicContact CG2-CG 4.19Å; I142-K154 WeakPolarHBondContact O-CE 3.43Å; I142-A157 HydrophobicContact CB-CB 4.37Å; I142-A157 HydrophobicContact CG2-CB 3.78Å
143L92.2Very high89.6Confident16 Ų1671 Ų718%0.08437%0.373CS..Hα-helixtrans-64.9-37.6-168.5-69.7175.1000113.6I136 R139 A157 W158 V161I136-L143 HydrophobicContact CB-CD1 4.28Å; I136-L143 HydrophobicContact CG1-CD1 4.19Å; I136-L143 HydrophobicContact CG2-CD1 4.14Å; R139-L143 HydrophobicContact CB-CD1 3.79Å; R139-L143 HydrophobicContact CB-CG 4.08Å; R139-L143 PolarHBondContact O-N 2.9Å; L143-A157 HydrophobicContact CD2-CB 3.5Å; L143-A157 HydrophobicContact CG-CB 3.92Å; L143-W158 HydrophobicContact CD1-CH2 4.49Å; L143-W158 HydrophobicContact CD2-CD2 3.86Å; L143-W158 HydrophobicContact CD2-CE3 4.48Å; L143-W158 HydrophobicContact CD2-CG 4.04Å; L143-W158 HydrophobicContact CD2-CZ2 4.07Å; L143-V161 HydrophobicContact CD1-CG2 4.11Å
144L88.1Confident89.7Confident59 Ų5972 Ų7231%0.30938%0.377SS..THydrogen-bonded Turntrans-93.5-1.8-179-50.6-178.1000113.7K140 I142 W184 F216 H220K140-L144 HydrophobicContact CB-CD1 3.97Å; K140-L144 HydrophobicContact CB-CG 4.26Å; K140-L144 VanDerWaalsContact O-CB 3.3Å; K140-L144 WeakPolarHBondContact O-CB 3.43Å; K140-L144 WeakPolarHBondContact O-CG 3.38Å; K140-L144 PolarHBondContact O-N 2.92Å; I142-L144 PolarHBondContact O-N 3.36Å; L144-W184 HydrophobicContact CD2-CZ2 4.15Å; L144-F216 HydrophobicContact CD1-CE1 3.65Å; L144-F216 HydrophobicContact CD1-CZ 3.8Å; L144-F216 HydrophobicContact CD2-CE1 4.15Å; L144-F216 HydrophobicContact CD2-CZ 4.4Å; L144-F216 HydrophobicContact CG-CE1 4.43Å; L144-F216 HydrophobicContact CG-CZ 4.45Å; L144-H220 HydrophobicContact CD1-CB 3.75Å
145S86.9Confident89.7Confident31 Ų3173.9 Ų73.922%0.21738%0.38CS..  trans-62137.9-176.563.10000111.8I142 T150 K154I142-S145 WeakPolarHBondContact O-CB 3.44Å; I142-S145 PolarHBondContact O-N 3.34Å; I142-S145 PolarHBondContact O-OG 3.19Å; S145-T150 WeakPolarHBondContact OG-CB 3.46Å; S145-T150 WeakPolarHBondContact OG-CG2 3.3Å; S145-T150 PolarHBondContact OG-OG1 2.68Å; S145-K154 VanDerWaalsContact O-CE 3.23Å; S145-K154 WeakPolarHBondContact O-CE 3.28Å; S145-K154 PolarHBondContact O-NZ 3.24Å; S145-K154 VanDerWaalsContact OG-CE 3.31Å; S145-K154 WeakPolarHBondContact OG-CE 3.3Å
146L81.9Confident89.7Confident171 Ų17179.6 Ų79.690%0.89540%0.401SS*.  trans-80.8-19.2-179-63.2177.3000113.3P148L146-P148 WeakPolarHBondContact O-CD 3.39Å
147S84.6Confident89.8Confident52 Ų5279.7 Ų79.736%0.36440%0.401SS..  trans-68.7128.5-175.9179.60000112.6S149 T150 K154S147-S149 PolarHBondContact O-N 2.95Å; S147-S149 PolarHBondContact OG-N 3.36Å; S147-S149 PolarHBondContact OG-OG 3.46Å; S147-T150 PolarHBondContact O-N 3.35Å; S147-T150 PolarHBondContact O-OG1 3.41Å; S147-K154 PolarHBondContact O-NZ 3.46Å
148P83.1Confident90.1Very high98 Ų9877.3 Ų77.364%0.63639%0.389SS*.G310 helixtrans-61.4-26.7172.2-24.535.3000114.3L146 T150 N151L146-P148 WeakPolarHBondContact O-CD 3.39Å; P148-T150 PolarHBondContact O-N 3.22Å; P148-T150 VanDerWaalsContact O-N 3.1Å; P148-N151 WeakPolarHBondContact O-CB 3.46Å; P148-N151 PolarHBondContact O-N 2.96Å; P148-N151 PolarHBondContact O-ND2 3.03Å
149S84.4Confident90.3Very high101 Ų10179 Ų7971%0.70639%0.386SS*.G310 helixtrans-59.7-25.3179.465.40000113S147 N151S147-S149 PolarHBondContact O-N 2.95Å; S147-S149 PolarHBondContact OG-N 3.36Å; S147-S149 PolarHBondContact OG-OG 3.46Å; S149-N151 VanDerWaalsContact C-N 3.29Å; S149-N151 PolarHBondContact O-N 3.49Å
150T87.5Confident90.5Very high22 Ų2281.4 Ų81.414%0.13540%0.399CS..G310 helixtrans-78.3-5179.165.10000114S145 S147 P148 R152 L153 K154S145-T150 WeakPolarHBondContact OG-CB 3.46Å; S145-T150 WeakPolarHBondContact OG-CG2 3.3Å; S145-T150 PolarHBondContact OG-OG1 2.68Å; S147-T150 PolarHBondContact O-N 3.35Å; S147-T150 PolarHBondContact O-OG1 3.41Å; P148-T150 PolarHBondContact O-N 3.22Å; P148-T150 VanDerWaalsContact O-N 3.1Å; T150-R152 PolarHBondContact O-N 2.95Å; T150-R152 VanDerWaalsContact O-N 3.09Å; T150-L153 CarbonylContact O-C 3.53Å; T150-L153 WeakPolarHBondContact O-CA 3.49Å; T150-L153 WeakPolarHBondContact O-CB 3.32Å; T150-L153 PolarHBondContact O-N 2.72Å; T150-K154 PolarHBondContact O-N 3.46Å; T150-K154 WeakPolarHBondContact OG1-CE 3.47Å; T150-K154 PolarHBondContact OG1-NZ 2.95Å
151N90Very high90.7Very high87 Ų8778.5 Ų78.547%0.46539%0.386SS..Hα-helixtrans-57.8-31.5-171.9-74.3-14.6000113.8P148 S149 R155P148-N151 WeakPolarHBondContact O-CB 3.46Å; P148-N151 PolarHBondContact O-N 2.96Å; P148-N151 PolarHBondContact O-ND2 3.03Å; S149-N151 VanDerWaalsContact C-N 3.29Å; S149-N151 PolarHBondContact O-N 3.49Å; N151-R155 PolarHBondContact O-N 3.19Å
152R91.2Very high91Very high185 Ų18572.5 Ų72.570%0.69836%0.36SS*.Hα-helixtrans-69.5-37.6171.6-177.9178.6173.9-167-1.4112.8T150T150-R152 PolarHBondContact O-N 2.95Å; T150-R152 VanDerWaalsContact O-N 3.09Å
153L92.8Very high91.1Very high88 Ų8874.4 Ų74.446%0.46137%0.374SS..Hα-helixtrans-71.5-36.7175.5-61.7173.3000111.3I142 T150 R155 R156 A157I142-L153 HydrophobicContact CG2-CB 3.81Å; T150-L153 CarbonylContact O-C 3.53Å; T150-L153 WeakPolarHBondContact O-CA 3.49Å; T150-L153 WeakPolarHBondContact O-CB 3.32Å; T150-L153 PolarHBondContact O-N 2.72Å; L153-R155 PolarHBondContact O-N 3.44Å; L153-R156 PolarHBondContact O-N 3.08Å; L153-A157 WeakPolarHBondContact O-CB 3.21Å; L153-A157 PolarHBondContact O-N 3Å
154K94.3Very high91.2Very high35 Ų3575.1 Ų75.115%0.15238%0.379CS..Hα-helixtrans-61.6-39.4176-74.9169.8174.7150.50112.8I142 S145 S147 T150 A157 W158I142-K154 HydrophobicContact CG2-CG 4.19Å; I142-K154 WeakPolarHBondContact O-CE 3.43Å; S145-K154 VanDerWaalsContact O-CE 3.23Å; S145-K154 WeakPolarHBondContact O-CE 3.28Å; S145-K154 PolarHBondContact O-NZ 3.24Å; S145-K154 VanDerWaalsContact OG-CE 3.31Å; S145-K154 WeakPolarHBondContact OG-CE 3.3Å; S147-K154 PolarHBondContact O-NZ 3.46Å; T150-K154 PolarHBondContact O-N 3.46Å; T150-K154 WeakPolarHBondContact OG1-CE 3.47Å; T150-K154 PolarHBondContact OG1-NZ 2.95Å; K154-A157 PolarHBondContact O-N 2.93Å; K154-W158 PolarHBondContact O-N 3.42Å
155R93.7Very high91.4Very high182 Ų18272.6 Ų72.669%0.68737%0.366SS*.Hα-helixtrans-59.6-54.7174.1-72.3-178.8-177.1153.11110.9N151 L153 A157 W158 E159N151-R155 PolarHBondContact O-N 3.19Å; L153-R155 PolarHBondContact O-N 3.44Å; R155-A157 VanDerWaalsContact C-N 3.32Å; R155-A157 PolarHBondContact O-N 3.34Å; R155-W158 PolarHBondContact O-N 3.18Å; R155-E159 VanDerWaalsContact C-OE1 3.32Å; R155-E159 WeakPolarHBondContact O-CG 3.48Å; R155-E159 PolarHBondContact O-N 3.25Å
156R94.2Very high91.6Very high135 Ų13571.6 Ų71.651%0.50936%0.36SS..Hα-helixtrans-56-41.7173.9-77-176.5172.7177-6.6113.5L153 W158 E159 E160L153-R156 PolarHBondContact O-N 3.08Å; R156-W158 VanDerWaalsContact C-N 3.32Å; R156-W158 PolarHBondContact O-N 3.01Å; R156-E159 WeakPolarHBondContact CA-OE2 3.47Å; R156-E159 WeakPolarHBondContact O-CB 3.27Å; R156-E159 PolarHBondContact O-N 3.44Å; R156-E160 WeakPolarHBondContact O-CB 3.45Å; R156-E160 WeakPolarHBondContact O-CG 3.41Å; R156-E160 PolarHBondContact O-N 3.23Å
157A95.5Very high92Very high1 Ų168.7 Ų68.71%0.00835%0.345CS..Hα-helixtrans-66-32.9177.500000112.5I142 L143 L153 K154 R155 V161I142-A157 HydrophobicContact CB-CB 4.37Å; I142-A157 HydrophobicContact CG2-CB 3.78Å; L143-A157 HydrophobicContact CD2-CB 3.5Å; L143-A157 HydrophobicContact CG-CB 3.92Å; L153-A157 WeakPolarHBondContact O-CB 3.21Å; L153-A157 PolarHBondContact O-N 3Å; K154-A157 PolarHBondContact O-N 2.93Å; R155-A157 VanDerWaalsContact C-N 3.32Å; R155-A157 PolarHBondContact O-N 3.34Å; A157-V161 VanDerWaalsContact O-CG2 3.26Å; A157-V161 WeakPolarHBondContact O-CG2 3.33Å; A157-V161 PolarHBondContact O-N 3.42Å
158W97.2Very high92.2Very high27 Ų2773.4 Ų73.410%0.10236%0.355CS..Hα-helixtrans-72.3-39.4171-75.6120.9000112.8I136 L143 K154 R155 R156 V161 A162 A177 V180 K181 W184I136-W158 HydrophobicContact CD1-CH2 3.87Å; I136-W158 HydrophobicContact CD1-CZ3 3.75Å; I136-W158 HydrophobicContact CG1-CH2 4.09Å; I136-W158 HydrophobicContact CG1-CZ3 3.82Å; L143-W158 HydrophobicContact CD1-CH2 4.49Å; L143-W158 HydrophobicContact CD2-CD2 3.86Å; L143-W158 HydrophobicContact CD2-CE3 4.48Å; L143-W158 HydrophobicContact CD2-CG 4.04Å; L143-W158 HydrophobicContact CD2-CZ2 4.07Å; K154-W158 PolarHBondContact O-N 3.42Å; R155-W158 PolarHBondContact O-N 3.18Å; R156-W158 VanDerWaalsContact C-N 3.32Å; R156-W158 PolarHBondContact O-N 3.01Å; W158-V161 PolarHBondContact O-N 3.47Å; W158-A162 PolarHBondContact O-N 3.44Å; W158-A177 HydrophobicContact CB-CB 4.08Å; W158-V180 HydrophobicContact CE3-CG1 3.97Å; W158-V180 HydrophobicContact CZ3-CG1 3.93Å; W158-K181 HydrophobicContact CD2-CB 3.93Å; W158-K181 HydrophobicContact CD2-CG 4.26Å; W158-K181 HydrophobicContact CE3-CB 4.17Å; W158-K181 HydrophobicContact CG-CB 4.33Å; W158-K181 HydrophobicContact CZ2-CB 4.45Å; W158-K181 HydrophobicContact CZ2-CG 4.19Å; W158-W184 HydrophobicContact CH2-CB 3.81Å; W158-W184 AromaticContact CH2-CD1 3.37Å; W158-W184 AromaticContact CH2-CG 3.62Å; W158-W184 HydrophobicContact CH2-CG 3.62Å; W158-W184 AromaticContact CZ2-CD1 3.68Å; W158-W184 HydrophobicContact CZ2-CG 4.36Å; W158-W184 HydrophobicContact CZ3-CB 4.29Å
159E96.3Very high92.2Very high97 Ų9772.8 Ų72.845%0.45334%0.34SS..Hα-helixtrans-58-47.8171.6-66.1150.9-150.200110.5R155 R156 A162 V163 A177R155-E159 VanDerWaalsContact C-OE1 3.32Å; R155-E159 WeakPolarHBondContact O-CG 3.48Å; R155-E159 PolarHBondContact O-N 3.25Å; R156-E159 WeakPolarHBondContact CA-OE2 3.47Å; R156-E159 WeakPolarHBondContact O-CB 3.27Å; R156-E159 PolarHBondContact O-N 3.44Å; E159-A162 PolarHBondContact O-N 2.89Å; E159-V163 WeakPolarHBondContact O-CG2 3.33Å; E159-V163 PolarHBondContact O-N 3.01Å; E159-A177 HydrophobicContact CG-CB 4.25Å
160E95.7Very high91.9Very high88 Ų8872.2 Ų72.241%0.41133%0.334SS..Hα-helixtrans-62.6-43.3176-77.6179.9-129.900113.1R139 R156 A162 V163 C164R139-E160 IonicContact CZ-OE2 3.92Å; R139-E160 VanDerWaalsContact CZ-OE2 3.29Å; R139-E160 IonicContact NE-OE2 2.96Å; R139-E160 PolarHBondContact NE-OE2 2.95Å; R139-E160 IonicContact NH2-OE2 3.81Å; R139-E160 PolarHBondContact NH2-OE2 2.93Å; R156-E160 WeakPolarHBondContact O-CB 3.45Å; R156-E160 WeakPolarHBondContact O-CG 3.41Å; R156-E160 PolarHBondContact O-N 3.23Å; E160-A162 VanDerWaalsContact C-N 3.3Å; E160-A162 PolarHBondContact O-N 2.89Å; E160-V163 PolarHBondContact O-N 3.34Å; E160-C164 WeakPolarHBondContact O-CB 3.38Å; E160-C164 PolarHBondContact O-N 2.94Å; E160-C164 PolarHBondContact O-SG 3.29Å; E160-C164 VanDerWaalsContact O-SG 3.33Å
161V96.1Very high91.2Very high0 Ų079.9 Ų79.90%037%0.368CS..Hα-helixtrans-59.8-44.1175171.90000110.2M132 E135 I136 L143 A157 W158 C164 M165 V180M132-V161 HydrophobicContact CG-CG1 4.49Å; E135-V161 HydrophobicContact CB-CB 4.41Å; E135-V161 HydrophobicContact CB-CG1 3.98Å; E135-V161 HydrophobicContact CB-CG2 4.08Å; I136-V161 HydrophobicContact CG1-CG1 4.19Å; I136-V161 HydrophobicContact CG1-CG2 4.28Å; L143-V161 HydrophobicContact CD1-CG2 4.11Å; A157-V161 VanDerWaalsContact O-CG2 3.26Å; A157-V161 WeakPolarHBondContact O-CG2 3.33Å; A157-V161 PolarHBondContact O-N 3.42Å; W158-V161 PolarHBondContact O-N 3.47Å; V161-C164 PolarHBondContact O-N 2.85Å; V161-M165 HydrophobicContact CG1-CG 4.42Å; V161-M165 HydrophobicContact CG1-SD 4.06Å; V161-M165 WeakPolarHBondContact O-CB 3.46Å; V161-M165 VanDerWaalsContact O-CG 3.27Å; V161-M165 WeakPolarHBondContact O-CG 3.31Å; V161-M165 PolarHBondContact O-N 3.27Å; V161-V180 HydrophobicContact CG1-CG1 3.7Å
162A94.7Very high90.4Very high8 Ų877 Ų777%0.06636%0.356CS..Hα-helixtrans-64.3-40.9177.800000112.6W158 E159 E160 M165 A166 V180W158-A162 PolarHBondContact O-N 3.44Å; E159-A162 PolarHBondContact O-N 2.89Å; E160-A162 VanDerWaalsContact C-N 3.3Å; E160-A162 PolarHBondContact O-N 2.89Å; A162-M165 PolarHBondContact O-N 3.46Å; A162-A166 WeakPolarHBondContact O-CB 3.46Å; A162-A166 PolarHBondContact O-N 2.94Å; A162-V180 HydrophobicContact CB-CG2 4.11Å
163V93.6Very high89.9Confident80 Ų8073.1 Ų73.149%0.48536%0.355SS..Hα-helixtrans-65-46174.31700000111.4E159 E160 M165 A166 N167E159-V163 WeakPolarHBondContact O-CG2 3.33Å; E159-V163 PolarHBondContact O-N 3.01Å; E160-V163 PolarHBondContact O-N 3.34Å; V163-M165 VanDerWaalsContact C-N 3.32Å; V163-M165 PolarHBondContact O-N 3.02Å; V163-A166 PolarHBondContact O-N 3.44Å; V163-N167 WeakPolarHBondContact O-CB 3.41Å; V163-N167 PolarHBondContact O-N 2.82Å; V163-N167 PolarHBondContact O-OD1 2.82Å
164C93.6Very high89.7Confident30 Ų3077.8 Ų77.820%0.20337%0.366CS..Hα-helixtrans-63.9-36.1176.6-720000112.2E135 R139 E160 V161 R168E135-C164 VanDerWaalsContact CD-CB 3.48Å; E135-C164 HydrophobicContact CG-CB 3.8Å; R139-C164 PolarHBondContact NH2-SG 3.33Å; E160-C164 WeakPolarHBondContact O-CB 3.38Å; E160-C164 PolarHBondContact O-N 2.94Å; E160-C164 PolarHBondContact O-SG 3.29Å; E160-C164 VanDerWaalsContact O-SG 3.33Å; V161-C164 PolarHBondContact O-N 2.85Å; C164-R168 WeakPolarHBondContact O-CB 3.41Å; C164-R168 WeakPolarHBondContact O-CD 3.36Å; C164-R168 VanDerWaalsContact O-CG 3.27Å; C164-R168 WeakPolarHBondContact O-CG 3.33Å; C164-R168 PolarHBondContact O-N 2.68Å; C164-R168 VanDerWaalsContact O-N 3.15Å
165M93.1Very high89.5Confident6 Ų677.8 Ų77.83%0.0337%0.365CS..Hα-helixtrans-62.8-51170.6-76.4177.968.300111.5F124 E128 V131 M132 V161 A162 V163 N167 R168 W169 V180F124-M165 HydrophobicContact CD1-CE 4.16Å; F124-M165 HydrophobicContact CE1-CE 4.02Å; E128-M165 HydrophobicContact CG-CE 3.59Å; V131-M165 HydrophobicContact CG1-CG 4Å; M132-M165 HydrophobicContact CB-CE 3.86Å; M132-M165 HydrophobicContact CB-SD 3.59Å; M132-M165 VanDerWaalsContact CB-SD 3.59Å; M132-M165 HydrophobicContact CG-CE 4.24Å; M132-M165 HydrophobicContact CG-SD 3.62Å; V161-M165 HydrophobicContact CG1-CG 4.42Å; V161-M165 HydrophobicContact CG1-SD 4.06Å; V161-M165 WeakPolarHBondContact O-CB 3.46Å; V161-M165 VanDerWaalsContact O-CG 3.27Å; V161-M165 WeakPolarHBondContact O-CG 3.31Å; V161-M165 PolarHBondContact O-N 3.27Å; A162-M165 PolarHBondContact O-N 3.46Å; V163-M165 VanDerWaalsContact C-N 3.32Å; V163-M165 PolarHBondContact O-N 3.02Å; M165-N167 VanDerWaalsContact C-N 3.31Å; M165-N167 PolarHBondContact O-N 3.34Å; M165-R168 CarbonylContact O-C 3.41Å; M165-R168 PolarHBondContact O-N 2.9Å; M165-R168 VanDerWaalsContact O-N 3.14Å; M165-W169 PolarHBondContact O-N 3.44Å; M165-V180 HydrophobicContact CE-CG2 4.28Å; M165-V180 HydrophobicContact SD-CG1 3.95Å; M165-V180 HydrophobicContact SD-CG2 3.69Å
166A90.7Very high89.4Confident11 Ų1172.6 Ų72.69%0.09135%0.354CS..Hα-helixtrans-61.9-35.9179.900000113A162 V163 W169 R174A162-A166 WeakPolarHBondContact O-CB 3.46Å; A162-A166 PolarHBondContact O-N 2.94Å; V163-A166 PolarHBondContact O-N 3.44Å; A166-W169 CarbonylContact O-C 3.6Å; A166-W169 VanDerWaalsContact O-C 3.27Å; A166-W169 PolarHBondContact O-N 3.49Å; A166-R174 HydrophobicContact CB-CG 4.22Å
167N90.6Very high89.5Confident110 Ų11067.1 Ų67.159%0.58834%0.337SS*.Hα-helixtrans-71.7-29.2176.8-67.8-6.5000112.6V163 M165V163-N167 WeakPolarHBondContact O-CB 3.41Å; V163-N167 PolarHBondContact O-N 2.82Å; V163-N167 PolarHBondContact O-OD1 2.82Å; M165-N167 VanDerWaalsContact C-N 3.31Å; M165-N167 PolarHBondContact O-N 3.34Å
168R88.2Confident89.4Confident150 Ų15072.4 Ų72.457%0.56637%0.366SS*.Hα-helixtrans-84.9-19.7174.1-69.3170.7-177.2-79.810.7113.2V131 E135 C164 M165 P170V131-R168 HydrophobicContact CG1-CB 4.19Å; V131-R168 HydrophobicContact CG1-CG 4.42Å; E135-R168 IonicContact OE1-CZ 3.15Å; E135-R168 IonicContact OE1-NE 2.66Å; E135-R168 PolarHBondContact OE1-NE 3.48Å; E135-R168 IonicContact OE1-NH2 2.68Å; E135-R168 PolarHBondContact OE1-NH2 3.03Å; C164-R168 WeakPolarHBondContact O-CB 3.41Å; C164-R168 WeakPolarHBondContact O-CD 3.36Å; C164-R168 VanDerWaalsContact O-CG 3.27Å; C164-R168 WeakPolarHBondContact O-CG 3.33Å; C164-R168 PolarHBondContact O-N 2.68Å; C164-R168 VanDerWaalsContact O-N 3.15Å; M165-R168 CarbonylContact O-C 3.41Å; M165-R168 PolarHBondContact O-N 2.9Å; M165-R168 VanDerWaalsContact O-N 3.14Å; R168-P170 VanDerWaalsContact C-CD 3.49Å
169W82.6Confident89.2Confident86 Ų8673.8 Ų73.833%0.32637%0.373SS..  trans-127.465.4179.4-80.288.8000111.7D127 M165 A166 H171 A172D127-W169 HydrophobicContact CB-CZ2 3.81Å; M165-W169 PolarHBondContact O-N 3.44Å; A166-W169 CarbonylContact O-C 3.6Å; A166-W169 VanDerWaalsContact O-C 3.27Å; A166-W169 PolarHBondContact O-N 3.49Å; W169-H171 PolarHBondContact O-N 2.66Å; W169-H171 VanDerWaalsContact O-N 3.12Å; W169-A172 HydrophobicContact CB-CB 4.02Å; W169-A172 HydrophobicContact CE3-CB 4.35Å; W169-A172 PolarHBondContact O-N 3.48Å; W169-A172 VanDerWaalsContact O-N 3.15Å
170P78Confident89.1Confident89 Ų8969.1 Ų69.158%0.57835%0.351SS*.THydrogen-bonded Turntrans-64.9-17.5-176.827.8-36.5000114R168R168-P170 VanDerWaalsContact C-CD 3.49Å
171H73.6Confident89Confident183 Ų18368.3 Ų68.385%0.84735%0.347SS*.THydrogen-bonded Turntrans-94.6-2.4179.7-51.2-59.3000114W169W169-H171 PolarHBondContact O-N 2.66Å; W169-H171 VanDerWaalsContact O-N 3.12Å
172A73.7Confident88.9Confident25 Ų2574.9 Ų74.921%0.20738%0.375CS..SBendtrans-97.5155.3178.700000111.5W169 R174W169-A172 HydrophobicContact CB-CB 4.02Å; W169-A172 HydrophobicContact CE3-CB 4.35Å; W169-A172 PolarHBondContact O-N 3.48Å; W169-A172 VanDerWaalsContact O-N 3.15Å; A172-R174 PolarHBondContact O-N 3.02Å
173P80.9Confident88.8Confident105 Ų10576.7 Ų76.768%0.68238%0.382SS*.  trans-54.3124.3167.3-24.434.7000110.7R175P173-R175 PolarHBondContact O-N 3.49Å; P173-R175 VanDerWaalsContact O-N 3.07Å
174R87.6Confident88.8Confident185 Ų18573.8 Ų73.870%0.69836%0.362SS*.  trans-62.9111.2-178-70.8-176.9174.5-98.1-1.6110.2A166 A172A166-R174 HydrophobicContact CB-CG 4.22Å; A172-R174 PolarHBondContact O-N 3.02Å
175R89.8Confident88.7Confident36 Ų3676.8 Ų76.814%0.13637%0.373CS..  trans-69.6142.2174.4-55.9-61.8-176177.4-4.1111E122 T123 F124 E128 P173 Q179 V180E122-R175 IonicContact OE1-CZ 3.02Å; E122-R175 IonicContact OE1-NH1 3.16Å; E122-R175 PolarHBondContact OE1-NH1 3.43Å; T123-R175 PolarHBondContact O-NH2 2.96Å; F124-R175 HydrophobicContact CE1-CG 4.02Å; F124-R175 HydrophobicContact CZ-CG 4.02Å; E128-R175 WeakPolarHBondContact OE1-CG 3.4Å; E128-R175 IonicContact OE1-CZ 3.91Å; E128-R175 IonicContact OE1-NE 2.74Å; E128-R175 PolarHBondContact OE1-NE 3.49Å; E128-R175 IonicContact OE1-NH2 2.76Å; E128-R175 PolarHBondContact OE1-NH2 3.42Å; E128-R175 VanDerWaalsContact OE1-NH2 3.15Å; E128-R175 IonicContact OE2-CZ 2.75Å; E128-R175 IonicContact OE2-NE 3.04Å; E128-R175 IonicContact OE2-NH2 2.74Å; E128-R175 PolarHBondContact OE2-NH2 3.32Å; P173-R175 PolarHBondContact O-N 3.49Å; P173-R175 VanDerWaalsContact O-N 3.07Å; R175-Q179 VanDerWaalsContact CA-OE1 3.32Å; R175-Q179 HydrophobicContact CB-CB 4.4Å; R175-V180 HydrophobicContact CB-CG2 3.74Å; R175-V180 HydrophobicContact CG-CG2 4.49Å
176T92.9Very high88.6Confident72 Ų7280.2 Ų80.244%0.44239%0.391SS..  trans-80.2161.316870.10000111.3D178 Q179 V180T176-D178 PolarHBondContact O-N 3.49Å; T176-Q179 PolarHBondContact O-N 3.41Å; T176-Q179 WeakPolarHBondContact OG1-CG 3.43Å; T176-Q179 PolarHBondContact OG1-N 2.92Å; T176-Q179 PolarHBondContact OG1-OE1 3.07Å; T176-V180 WeakPolarHBondContact O-CG2 3.4Å; T176-V180 PolarHBondContact O-N 3.41Å; T176-V180 VanDerWaalsContact O-N 3.09Å
177A94.6Very high88.6Confident20 Ų2080.6 Ų80.617%0.16539%0.392CS..Hα-helixtrans-52.8-4117400000112.1W158 E159 V180 K181W158-A177 HydrophobicContact CB-CB 4.08Å; E159-A177 HydrophobicContact CG-CB 4.25Å; A177-V180 PolarHBondContact O-N 3.02Å; A177-K181 VanDerWaalsContact O-CB 3.25Å; A177-K181 WeakPolarHBondContact O-CB 3.43Å; A177-K181 PolarHBondContact O-N 3.3Å
178D93.9Very high88.4Confident113 Ų11376 Ų7660%0.60437%0.367SS*.Hα-helixtrans-71.8-35.1179.7-64.3-68.7000113.4T176 K182T176-D178 PolarHBondContact O-N 3.49Å; D178-K182 WeakPolarHBondContact O-CB 3.26Å; D178-K182 PolarHBondContact O-N 2.76Å
179Q93.1Very high88.4Confident55 Ų5572 Ų7226%0.25736%0.363SS..Hα-helixtrans-63.8-46.1172.9-73.5170.6-35.800111.2E122 F124 R175 T176 K182 K183E122-Q179 PolarHBondContact OE1-NE2 3.32Å; E122-Q179 VanDerWaalsContact OE1-NE2 3.07Å; E122-Q179 WeakPolarHBondContact OE2-CG 3.41Å; E122-Q179 PolarHBondContact OE2-NE2 3.03Å; F124-Q179 HydrophobicContact CZ-CB 4.39Å; R175-Q179 VanDerWaalsContact CA-OE1 3.32Å; R175-Q179 HydrophobicContact CB-CB 4.4Å; T176-Q179 PolarHBondContact O-N 3.41Å; T176-Q179 WeakPolarHBondContact OG1-CG 3.43Å; T176-Q179 PolarHBondContact OG1-N 2.92Å; T176-Q179 PolarHBondContact OG1-OE1 3.07Å; Q179-K182 PolarHBondContact O-N 2.98Å; Q179-K183 WeakPolarHBondContact O-CB 3.41Å; Q179-K183 PolarHBondContact O-N 3.02Å
180V94.3Very high88.6Confident0 Ų074.4 Ų74.40%038%0.376CS..Hα-helixtrans-61.4-48.2176.21730000111F124 M132 W158 V161 A162 M165 R175 T176 A177 K183 W184F124-V180 HydrophobicContact CE1-CG2 4.41Å; M132-V180 HydrophobicContact CG-CG1 3.87Å; M132-V180 HydrophobicContact SD-CG1 3.96Å; W158-V180 HydrophobicContact CE3-CG1 3.97Å; W158-V180 HydrophobicContact CZ3-CG1 3.93Å; V161-V180 HydrophobicContact CG1-CG1 3.7Å; A162-V180 HydrophobicContact CB-CG2 4.11Å; M165-V180 HydrophobicContact CE-CG2 4.28Å; M165-V180 HydrophobicContact SD-CG1 3.95Å; M165-V180 HydrophobicContact SD-CG2 3.69Å; R175-V180 HydrophobicContact CB-CG2 3.74Å; R175-V180 HydrophobicContact CG-CG2 4.49Å; T176-V180 WeakPolarHBondContact O-CG2 3.4Å; T176-V180 PolarHBondContact O-N 3.41Å; T176-V180 VanDerWaalsContact O-N 3.09Å; A177-V180 PolarHBondContact O-N 3.02Å; V180-K183 WeakPolarHBondContact O-CB 3.34Å; V180-K183 PolarHBondContact O-N 2.87Å; V180-W184 PolarHBondContact O-N 3.38Å
181K94.4Very high88.8Confident71 Ų7170.2 Ų70.231%0.30935%0.348SS..Hα-helixtrans-60.5-49.7176.6179.4-166.1159.7-154.80111.7W158 A177 K183 W184 E185W158-K181 HydrophobicContact CD2-CB 3.93Å; W158-K181 HydrophobicContact CD2-CG 4.26Å; W158-K181 HydrophobicContact CE3-CB 4.17Å; W158-K181 HydrophobicContact CG-CB 4.33Å; W158-K181 HydrophobicContact CZ2-CB 4.45Å; W158-K181 HydrophobicContact CZ2-CG 4.19Å; A177-K181 VanDerWaalsContact O-CB 3.25Å; A177-K181 WeakPolarHBondContact O-CB 3.43Å; A177-K181 PolarHBondContact O-N 3.3Å; K181-K183 PolarHBondContact O-N 3.16Å; K181-W184 WeakPolarHBondContact O-CB 3.4Å; K181-W184 PolarHBondContact O-N 3.07Å; K181-W184 VanDerWaalsContact O-N 3.15Å; K181-E185 WeakPolarHBondContact CE-OE1 3.48Å; K181-E185 WeakPolarHBondContact CE-OE2 3.45Å; K181-E185 HydrophobicContact CG-CG 4.48Å; K181-E185 IonicContact NZ-OE1 3.83Å; K181-E185 WeakPolarHBondContact O-CG 3.4Å; K181-E185 PolarHBondContact O-N 3.14Å
182K93.6Very high89.2Confident137 Ų13765.6 Ų65.660%0.59633%0.326SS*.Hα-helixtrans-60-35.7177.2-173.7172.9-177.8176.70110.9D178 Q179 N186D178-K182 WeakPolarHBondContact O-CB 3.26Å; D178-K182 PolarHBondContact O-N 2.76Å; Q179-K182 PolarHBondContact O-N 2.98Å; K182-N186 VanDerWaalsContact O-CB 3.32Å; K182-N186 WeakPolarHBondContact O-CB 3.07Å; K182-N186 PolarHBondContact O-N 2.88Å; K182-N186 VanDerWaalsContact O-N 3.07Å; K182-N186 PolarHBondContact O-ND2 3.36Å
183K92.6Very high89.6Confident47 Ų4773 Ų7320%0.20435%0.348CS..Hα-helixtrans-66.2-46.9173.9-171.567.3169.7-150.40112.2E122 F124 M132 Q179 V180 K181 N186 L187E122-K183 PolarHBondContact O-NZ 3.41Å; F124-K183 HydrophobicContact CB-CD 4.44Å; F124-K183 HydrophobicContact CD1-CB 4.39Å; F124-K183 HydrophobicContact CD1-CD 4.42Å; F124-K183 HydrophobicContact CD1-CG 3.85Å; F124-K183 HydrophobicContact CD2-CB 4.4Å; F124-K183 HydrophobicContact CD2-CD 3.65Å; F124-K183 HydrophobicContact CD2-CG 3.93Å; F124-K183 HydrophobicContact CE1-CB 3.91Å; F124-K183 HydrophobicContact CE1-CG 3.89Å; F124-K183 HydrophobicContact CE2-CB 3.91Å; F124-K183 HydrophobicContact CE2-CD 3.93Å; F124-K183 HydrophobicContact CE2-CG 3.96Å; F124-K183 HydrophobicContact CG-CD 3.92Å; F124-K183 HydrophobicContact CG-CG 3.87Å; F124-K183 HydrophobicContact CZ-CB 3.65Å; F124-K183 HydrophobicContact CZ-CD 4.43Å; F124-K183 HydrophobicContact CZ-CG 3.95Å; M132-K183 HydrophobicContact CE-CG 4.24Å; M132-K183 HydrophobicContact SD-CB 4.17Å; M132-K183 HydrophobicContact SD-CG 4.1Å; Q179-K183 WeakPolarHBondContact O-CB 3.41Å; Q179-K183 PolarHBondContact O-N 3.02Å; V180-K183 WeakPolarHBondContact O-CB 3.34Å; V180-K183 PolarHBondContact O-N 2.87Å; K181-K183 PolarHBondContact O-N 3.16Å; K183-N186 PolarHBondContact O-N 3.06Å; K183-L187 HydrophobicContact CG-CD1 4.4Å; K183-L187 WeakPolarHBondContact O-CG 3.36Å; K183-L187 PolarHBondContact O-N 2.87Å
184W92.7Very high89.5Confident19 Ų1970.8 Ų70.87%0.07233%0.328CS..Hα-helixtrans-59.1-50.4175.7168.1-111.7000112.2M132 L133 I136 L144 W158 V180 K181 N186 L187 V188 F216M132-W184 HydrophobicContact CE-CB 4.2Å; M132-W184 HydrophobicContact CE-CE3 4.49Å; L133-W184 HydrophobicContact CD2-CE3 3.98Å; L133-W184 HydrophobicContact CD2-CZ3 3.61Å; I136-W184 HydrophobicContact CD1-CB 4.05Å; I136-W184 HydrophobicContact CD1-CD2 3.85Å; I136-W184 HydrophobicContact CD1-CE3 3.8Å; I136-W184 HydrophobicContact CD1-CG 3.98Å; I136-W184 HydrophobicContact CG2-CZ2 4.41Å; L144-W184 HydrophobicContact CD2-CZ2 4.15Å; W158-W184 HydrophobicContact CH2-CB 3.81Å; W158-W184 AromaticContact CH2-CD1 3.37Å; W158-W184 AromaticContact CH2-CG 3.62Å; W158-W184 HydrophobicContact CH2-CG 3.62Å; W158-W184 AromaticContact CZ2-CD1 3.68Å; W158-W184 HydrophobicContact CZ2-CG 4.36Å; W158-W184 HydrophobicContact CZ3-CB 4.29Å; V180-W184 PolarHBondContact O-N 3.38Å; K181-W184 WeakPolarHBondContact O-CB 3.4Å; K181-W184 PolarHBondContact O-N 3.07Å; K181-W184 VanDerWaalsContact O-N 3.15Å; W184-N186 VanDerWaalsContact C-N 3.29Å; W184-N186 PolarHBondContact O-N 3.12Å; W184-L187 PolarHBondContact O-N 3.1Å; W184-L187 VanDerWaalsContact O-N 3.15Å; W184-V188 HydrophobicContact CD2-CG2 3.71Å; W184-V188 VanDerWaalsContact CE2-CG2 3.44Å; W184-V188 HydrophobicContact CE3-CG2 3.87Å; W184-V188 HydrophobicContact CG-CG2 4.48Å; W184-V188 HydrophobicContact CH2-CG2 3.5Å; W184-V188 HydrophobicContact CZ2-CG2 3.36Å; W184-V188 HydrophobicContact CZ3-CG2 3.76Å; W184-V188 WeakPolarHBondContact O-CG2 3.34Å; W184-V188 PolarHBondContact O-N 3.21Å; W184-F216 AromaticContact CH2-CD1 3.55Å; W184-F216 HydrophobicContact CH2-CD1 3.55Å; W184-F216 AromaticContact CH2-CE1 3.42Å; W184-F216 HydrophobicContact CH2-CE1 3.42Å; W184-F216 VanDerWaalsContact CH2-CE1 3.42Å; W184-F216 HydrophobicContact CH2-CG 4.32Å; W184-F216 HydrophobicContact CH2-CZ 4.09Å; W184-F216 HydrophobicContact CZ2-CD1 4.28Å; W184-F216 AromaticContact CZ2-CE1 3.75Å; W184-F216 HydrophobicContact CZ2-CE1 3.75Å; W184-F216 HydrophobicContact CZ2-CZ 4.39Å; W184-F216 HydrophobicContact CZ3-CD1 4.47Å; W184-F216 HydrophobicContact CZ3-CE1 4.5Å
185E92.5Very high89.1Confident92 Ų9262.5 Ų62.543%0.4330%0.298SS..Hα-helixtrans-61-37.9179.5-71.9172.2160.200111.7K181 S189K181-E185 WeakPolarHBondContact CE-OE1 3.48Å; K181-E185 WeakPolarHBondContact CE-OE2 3.45Å; K181-E185 HydrophobicContact CG-CG 4.48Å; K181-E185 IonicContact NZ-OE1 3.83Å; K181-E185 WeakPolarHBondContact O-CG 3.4Å; K181-E185 PolarHBondContact O-N 3.14Å; E185-S189 WeakPolarHBondContact O-CB 3.5Å; E185-S189 PolarHBondContact O-N 3.36Å; E185-S189 PolarHBondContact O-OG 3.04Å
186N90.5Very high88.7Confident79 Ų7968.9 Ų68.942%0.42232%0.322SS..Hα-helixtrans-64.1-45.8172.3-89.7-68.1000113.1K182 K183 W184 S189 K190K182-N186 VanDerWaalsContact O-CB 3.32Å; K182-N186 WeakPolarHBondContact O-CB 3.07Å; K182-N186 PolarHBondContact O-N 2.88Å; K182-N186 VanDerWaalsContact O-N 3.07Å; K182-N186 PolarHBondContact O-ND2 3.36Å; K183-N186 PolarHBondContact O-N 3.06Å; W184-N186 VanDerWaalsContact C-N 3.29Å; W184-N186 PolarHBondContact O-N 3.12Å; N186-S189 PolarHBondContact O-N 2.92Å; N186-K190 WeakPolarHBondContact O-CB 3.02Å; N186-K190 WeakPolarHBondContact O-CG 3.35Å; N186-K190 PolarHBondContact O-N 2.74Å
187L89.9Confident88Confident18 Ų1868.3 Ų68.39%0.09433%0.325CS..Hα-helixtrans-63.2-49.7177.6-72.7170.2000111.2V129 M132 K183 W184 S189 K190 T191 T209 V213V129-L187 HydrophobicContact CG1-CD1 3.65Å; M132-L187 HydrophobicContact CE-CD1 3.77Å; K183-L187 HydrophobicContact CG-CD1 4.4Å; K183-L187 WeakPolarHBondContact O-CG 3.36Å; K183-L187 PolarHBondContact O-N 2.87Å; W184-L187 PolarHBondContact O-N 3.1Å; W184-L187 VanDerWaalsContact O-N 3.15Å; L187-S189 VanDerWaalsContact C-N 3.27Å; L187-S189 PolarHBondContact O-N 3.35Å; L187-K190 PolarHBondContact O-N 3.09Å; L187-T191 PolarHBondContact O-N 3.31Å; L187-T191 PolarHBondContact O-OG1 3.48Å; L187-T209 HydrophobicContact CD1-CG2 4.18Å; L187-T209 HydrophobicContact CD2-CG2 3.96Å; L187-V213 HydrophobicContact CB-CG2 4.15Å; L187-V213 HydrophobicContact CD1-CG2 4.31Å
188V87.8Confident86.6Confident13 Ų1369.7 Ų69.78%0.07934%0.341CS..Hα-helixtrans-59-40176.8171.10000111.3W184 K192 L217W184-V188 HydrophobicContact CD2-CG2 3.71Å; W184-V188 VanDerWaalsContact CE2-CG2 3.44Å; W184-V188 HydrophobicContact CE3-CG2 3.87Å; W184-V188 HydrophobicContact CG-CG2 4.48Å; W184-V188 HydrophobicContact CH2-CG2 3.5Å; W184-V188 HydrophobicContact CZ2-CG2 3.36Å; W184-V188 HydrophobicContact CZ3-CG2 3.76Å; W184-V188 WeakPolarHBondContact O-CG2 3.34Å; W184-V188 PolarHBondContact O-N 3.21Å; V188-K192 HydrophobicContact CG1-CD 3.78Å; V188-K192 HydrophobicContact CG1-CG 4.28Å; V188-K192 VanDerWaalsContact O-CB 3.24Å; V188-K192 WeakPolarHBondContact O-CB 3.1Å; V188-K192 VanDerWaalsContact O-CG 3.27Å; V188-K192 WeakPolarHBondContact O-CG 3.41Å; V188-K192 PolarHBondContact O-N 3.02Å; V188-L217 HydrophobicContact CG1-CD1 4.21Å; V188-L217 HydrophobicContact CG1-CD2 4.14Å; V188-L217 HydrophobicContact CG2-CD1 4.39Å; V188-L217 HydrophobicContact CG2-CD2 4.27Å
189S88.2Confident85Confident68 Ų6870.4 Ų70.448%0.47634%0.34SS..Hα-helixtrans-68.6-41.2178.1-630000112.5E185 N186 L187 R193E185-S189 WeakPolarHBondContact O-CB 3.5Å; E185-S189 PolarHBondContact O-N 3.36Å; E185-S189 PolarHBondContact O-OG 3.04Å; N186-S189 PolarHBondContact O-N 2.92Å; L187-S189 VanDerWaalsContact C-N 3.27Å; L187-S189 PolarHBondContact O-N 3.35Å; S189-R193 VanDerWaalsContact O-CB 3.31Å; S189-R193 WeakPolarHBondContact O-CB 3.47Å; S189-R193 PolarHBondContact O-N 3.4Å
190K85.3Confident83.6Confident136 Ų13668.8 Ų68.859%0.59133%0.333SS*.Hα-helixtrans-63.3-46.7173.9-74.5-178.5179.4-169.60111.3N186 L187 R193 K194N186-K190 WeakPolarHBondContact O-CB 3.02Å; N186-K190 WeakPolarHBondContact O-CG 3.35Å; N186-K190 PolarHBondContact O-N 2.74Å; L187-K190 PolarHBondContact O-N 3.09Å; K190-R193 WeakPolarHBondContact O-CB 3.48Å; K190-R193 PolarHBondContact O-N 3.17Å; K190-R193 VanDerWaalsContact O-N 3.14Å; K190-K194 PolarHBondContact O-N 3.47Å
191T82.7Confident81.6Confident1 Ų172.5 Ų72.51%0.00636%0.356CS..Hα-helixtrans-63.9-46.5176.4-57.30000111.7L187 R193 K194 V195 W206 V213 M214 L217L187-T191 PolarHBondContact O-N 3.31Å; L187-T191 PolarHBondContact O-OG1 3.48Å; T191-R193 PolarHBondContact O-N 3.48Å; T191-K194 PolarHBondContact O-N 2.69Å; T191-V195 HydrophobicContact CG2-CG2 4.34Å; T191-V195 WeakPolarHBondContact O-CB 3.38Å; T191-V195 VanDerWaalsContact O-CG2 3.24Å; T191-V195 WeakPolarHBondContact O-CG2 3.38Å; T191-V195 PolarHBondContact O-N 3.08Å; T191-W206 HydrophobicContact CG2-CZ2 4.34Å; T191-V213 HydrophobicContact CG2-CG1 4.3Å; T191-V213 WeakPolarHBondContact OG1-CG1 3.46Å; T191-M214 HydrophobicContact CG2-CB 4.04Å; T191-L217 HydrophobicContact CG2-CD1 4.02Å
192K82.2Confident79.7Confident86 Ų8675.4 Ų75.437%0.37438%0.382SS..Hα-helixtrans-65.1-18.3174.1-73.7177.8179.8173.80113.7V188 R196V188-K192 HydrophobicContact CG1-CD 3.78Å; V188-K192 HydrophobicContact CG1-CG 4.28Å; V188-K192 VanDerWaalsContact O-CB 3.24Å; V188-K192 WeakPolarHBondContact O-CB 3.1Å; V188-K192 VanDerWaalsContact O-CG 3.27Å; V188-K192 WeakPolarHBondContact O-CG 3.41Å; V188-K192 PolarHBondContact O-N 3.02Å; K192-R196 WeakPolarHBondContact O-CG 3.21Å; K192-R196 PolarHBondContact O-N 2.74Å; K192-R196 PolarHBondContact O-NE 3.44Å
193R83.1Confident77.3Confident179 Ų17976.9 Ų76.968%0.67539%0.391SS*.Hα-helixtrans-80.2-50.7170.5-167.7-177.9-69.8-177.3-2.8110.4S189 K190 T191 V195 R196 A197S189-R193 VanDerWaalsContact O-CB 3.31Å; S189-R193 WeakPolarHBondContact O-CB 3.47Å; S189-R193 PolarHBondContact O-N 3.4Å; K190-R193 WeakPolarHBondContact O-CB 3.48Å; K190-R193 PolarHBondContact O-N 3.17Å; K190-R193 VanDerWaalsContact O-N 3.14Å; T191-R193 PolarHBondContact O-N 3.48Å; R193-V195 VanDerWaalsContact C-N 3.34Å; R193-V195 PolarHBondContact O-N 2.97Å; R193-R196 PolarHBondContact O-N 2.92Å; R193-R196 VanDerWaalsContact O-N 3.1Å; R193-A197 PolarHBondContact O-N 3.17Å
194K78.4Confident75.2Confident59 Ų5980.8 Ų80.826%0.25741%0.414SS..Hα-helixtrans-55.9-45.3174.6-74.8-156.4171.7-159.50112.3K190 T191 R196 A197 H199 D205 W206K190-K194 PolarHBondContact O-N 3.47Å; T191-K194 PolarHBondContact O-N 2.69Å; K194-R196 VanDerWaalsContact C-N 3.32Å; K194-R196 PolarHBondContact O-N 3.01Å; K194-A197 PolarHBondContact O-N 3.13Å; K194-A197 VanDerWaalsContact O-N 3.13Å; K194-H199 PolarHBondContact O-N 3.27Å; K194-D205 VanDerWaalsContact NZ-CB 3.32Å; K194-D205 PolarHBondContact NZ-O 3.48Å; K194-W206 HydrophobicContact CB-CH2 3.82Å; K194-W206 HydrophobicContact CB-CZ3 3.84Å; K194-W206 HydrophobicContact CD-CE3 3.99Å; K194-W206 HydrophobicContact CD-CH2 3.88Å; K194-W206 HydrophobicContact CD-CZ3 3.38Å; K194-W206 HydrophobicContact CG-CH2 4.44Å; K194-W206 HydrophobicContact CG-CZ3 4.23Å
195V78.7Confident73.3Confident12 Ų1286.1 Ų86.17%0.07344%0.444CS..Hα-helixtrans-59.5-38.8176.1172.10000112.5T191 R193 I200 M214 R227T191-V195 HydrophobicContact CG2-CG2 4.34Å; T191-V195 WeakPolarHBondContact O-CB 3.38Å; T191-V195 VanDerWaalsContact O-CG2 3.24Å; T191-V195 WeakPolarHBondContact O-CG2 3.38Å; T191-V195 PolarHBondContact O-N 3.08Å; R193-V195 VanDerWaalsContact C-N 3.34Å; R193-V195 PolarHBondContact O-N 2.97Å; V195-I200 HydrophobicContact CB-CD1 4.15Å; V195-I200 HydrophobicContact CG1-CD1 4.16Å; V195-I200 HydrophobicContact CG2-CD1 3.88Å; V195-M214 HydrophobicContact CG2-CE 3.77Å; V195-R227 HydrophobicContact CG1-CB 3.99Å
196R80.5Confident71.7Confident170 Ų17084.4 Ų84.464%0.64243%0.433SS*.Hα-helixtrans-74-27176.7-82.3-174.7-70.1164.3-4.1113.5K192 R193 K194 G198K192-R196 WeakPolarHBondContact O-CG 3.21Å; K192-R196 PolarHBondContact O-N 2.74Å; K192-R196 PolarHBondContact O-NE 3.44Å; R193-R196 PolarHBondContact O-N 2.92Å; R193-R196 VanDerWaalsContact O-N 3.1Å; K194-R196 VanDerWaalsContact C-N 3.32Å; K194-R196 PolarHBondContact O-N 3.01Å; R196-G198 PolarHBondContact O-N 2.83Å
197A78.5Confident70.6Confident60 Ų6084.5 Ų84.550%0.49643%0.434SS..THydrogen-bonded Turntrans-80.62-18000000113.5R193 K194 H199R193-A197 PolarHBondContact O-N 3.17Å; K194-A197 PolarHBondContact O-N 3.13Å; K194-A197 VanDerWaalsContact O-N 3.13Å; A197-H199 HydrophobicContact CB-CB 4.48Å; A197-H199 PolarHBondContact O-N 3.04Å; A197-H199 PolarHBondContact O-ND1 2.75Å
198G66Low69.7Low49 Ų4989.3 Ų89.351%0.50546%0.456SS..THydrogen-bonded Turntrans67.3-0.7-173.400000114.5R196 I200R196-G198 PolarHBondContact O-N 2.83Å; G198-I200 PolarHBondContact O-N 3.02Å
199H61.1Low68.9Low128 Ų12889.2 Ų89.259%0.59346%0.455SS*.  trans-79.466.1-179.9-73.757.5000110.2K194 A197 W206K194-H199 PolarHBondContact O-N 3.27Å; A197-H199 HydrophobicContact CB-CB 4.48Å; A197-H199 PolarHBondContact O-N 3.04Å; A197-H199 PolarHBondContact O-ND1 2.75Å; H199-W206 WeakPolarHBondContact O-CZ3 3.31Å
200I61.7Low68.2Low20 Ų2086.9 Ų86.910%0.10344%0.438CS..  trans-116.950.7170.2-45.2-174.8000108.2V195 G198 M214 Y228 S231 T232V195-I200 HydrophobicContact CB-CD1 4.15Å; V195-I200 HydrophobicContact CG1-CD1 4.16Å; V195-I200 HydrophobicContact CG2-CD1 3.88Å; G198-I200 PolarHBondContact O-N 3.02Å; I200-M214 HydrophobicContact CD1-CE 3.9Å; I200-M214 HydrophobicContact CG1-CE 4.17Å; I200-M214 HydrophobicContact CG2-CE 3.83Å; I200-M214 HydrophobicContact CG2-SD 4.38Å; I200-Y228 HydrophobicContact CD1-CD2 3.9Å; I200-Y228 HydrophobicContact CG2-CD2 4.09Å; I200-Y228 HydrophobicContact CG2-CE2 3.69Å; I200-S231 WeakPolarHBondContact CD1-OG 3.47Å; I200-T232 HydrophobicContact CB-CG2 4.36Å; I200-T232 HydrophobicContact CG2-CG2 3.63Å
201T53.8Low67.6Low79 Ų7982.4 Ų82.449%0.48543%0.426SS..  trans-84.3136.6163.747.90000108.4E203T201-E203 PolarHBondContact O-N 3.41Å
202P54.7Low67.3Low132 Ų13284.1 Ų84.186%0.85744%0.44SS*.SBendtrans-76.26179.332.2-36.5000113.6
203E43.4Very low67.1Low168 Ų16880 Ų8079%0.78542%0.422SS*.SBendtrans-103.7-34.6-157.7-161.4164.9-160.800114.1T201T201-E203 PolarHBondContact O-N 3.41Å
204L47.7Very low66.9Low128 Ų12872 Ų7267%0.6739%0.393SS*.SBendtrans-131.7145.9179.9-102.672.7000112.5W206L204-W206 VanDerWaalsContact C-N 3.28Å; L204-W206 PolarHBondContact O-N 3.04Å; L204-W206 VanDerWaalsContact O-N 3.13Å
205D52.1Low67Low132 Ų13274.7 Ų74.771%0.70641%0.406SS*.SBendtrans55.224.3171.3-710.3000117.9K194K194-D205 VanDerWaalsContact NZ-CB 3.32Å; K194-D205 PolarHBondContact NZ-O 3.48Å
206W59.1Low67Low55 Ų5574.6 Ų74.621%0.20840%0.404CS..  trans-100.479.3173.2-142.7-80000112.4T191 K194 H199 L204 N210 A211 M214T191-W206 HydrophobicContact CG2-CZ2 4.34Å; K194-W206 HydrophobicContact CB-CH2 3.82Å; K194-W206 HydrophobicContact CB-CZ3 3.84Å; K194-W206 HydrophobicContact CD-CE3 3.99Å; K194-W206 HydrophobicContact CD-CH2 3.88Å; K194-W206 HydrophobicContact CD-CZ3 3.38Å; K194-W206 HydrophobicContact CG-CH2 4.44Å; K194-W206 HydrophobicContact CG-CZ3 4.23Å; H199-W206 WeakPolarHBondContact O-CZ3 3.31Å; L204-W206 VanDerWaalsContact C-N 3.28Å; L204-W206 PolarHBondContact O-N 3.04Å; L204-W206 VanDerWaalsContact O-N 3.13Å; W206-N210 HydrophobicContact CD2-CB 4.42Å; W206-N210 HydrophobicContact CZ2-CB 4.04Å; W206-N210 PolarHBondContact NE1-O 2.89Å; W206-A211 VanDerWaalsContact NE1-CA 3.34Å; W206-M214 HydrophobicContact CH2-CE 3.29Å; W206-M214 HydrophobicContact CH2-SD 4.19Å; W206-M214 HydrophobicContact CZ2-CB 4.11Å; W206-M214 HydrophobicContact CZ2-CE 3.27Å; W206-M214 HydrophobicContact CZ2-CG 4.46Å; W206-M214 HydrophobicContact CZ2-SD 3.58Å; W206-M214 VanDerWaalsContact CZ2-SD 3.58Å; W206-M214 HydrophobicContact CZ3-CE 4.18Å
207N68.6Low67Low82 Ų8266.9 Ų66.944%0.43938%0.376SS..  trans-61.9153.7174.874.79.5000112T209 N210 A211N207-T209 PolarHBondContact O-N 2.99Å; N207-T209 VanDerWaalsContact O-N 3.14Å; N207-N210 WeakPolarHBondContact O-CB 3.32Å; N207-N210 PolarHBondContact O-N 3.46Å; N207-N210 VanDerWaalsContact OD1-CB 3.3Å; N207-N210 WeakPolarHBondContact OD1-CB 3.45Å; N207-N210 PolarHBondContact OD1-N 3.32Å; N207-N210 PolarHBondContact OD1-ND2 3.14Å; N207-N210 VanDerWaalsContact OD1-ND2 3.16Å; N207-A211 PolarHBondContact O-N 3.24Å; N207-A211 VanDerWaalsContact O-N 3.13Å
208E70.1Confident67Low118 Ų11865.1 Ų65.155%0.55136%0.359SS*.Hα-helixtrans-53-38.5-176.5-166.7-168.6166.800112.2K130 N210 A211 A212K130-E208 WeakPolarHBondContact CE-OE1 3.37Å; K130-E208 WeakPolarHBondContact CE-OE2 3.44Å; K130-E208 IonicContact NZ-OE1 2.82Å; K130-E208 PolarHBondContact NZ-OE1 3.45Å; K130-E208 IonicContact NZ-OE2 3.97Å; K130-E208 PolarHBondContact NZ-OE2 3.17Å; E208-N210 PolarHBondContact O-N 3.33Å; E208-A211 WeakPolarHBondContact O-CB 3.14Å; E208-A211 PolarHBondContact O-N 3.29Å; E208-A212 PolarHBondContact O-N 3.48Å
209T70.3Confident67.7Low11 Ų1167.6 Ų67.67%0.06736%0.358CS..Hα-helixtrans-57.4-47.4173.8-510000112.7V129 L187 N207 A211 A212 V213V129-T209 HydrophobicContact CB-CG2 4.21Å; V129-T209 HydrophobicContact CG1-CG2 3.48Å; V129-T209 VanDerWaalsContact CG1-CG2 3.48Å; L187-T209 HydrophobicContact CD1-CG2 4.18Å; L187-T209 HydrophobicContact CD2-CG2 3.96Å; N207-T209 PolarHBondContact O-N 2.99Å; N207-T209 VanDerWaalsContact O-N 3.14Å; T209-A211 VanDerWaalsContact C-N 3.29Å; T209-A211 PolarHBondContact O-N 2.82Å; T209-A212 PolarHBondContact O-N 3.32Å; T209-V213 VanDerWaalsContact O-CG2 3.25Å; T209-V213 WeakPolarHBondContact O-CG2 3.24Å; T209-V213 PolarHBondContact O-N 3.44Å
210N73.3Confident68.5Low20 Ų2064.7 Ų64.711%0.10734%0.344CS..Hα-helixtrans-67.4-31.2178-71.3-22.8000111.4W206 N207 E208 M214W206-N210 HydrophobicContact CD2-CB 4.42Å; W206-N210 HydrophobicContact CZ2-CB 4.04Å; W206-N210 PolarHBondContact NE1-O 2.89Å; N207-N210 WeakPolarHBondContact O-CB 3.32Å; N207-N210 PolarHBondContact O-N 3.46Å; N207-N210 VanDerWaalsContact OD1-CB 3.3Å; N207-N210 WeakPolarHBondContact OD1-CB 3.45Å; N207-N210 PolarHBondContact OD1-N 3.32Å; N207-N210 PolarHBondContact OD1-ND2 3.14Å; N207-N210 VanDerWaalsContact OD1-ND2 3.16Å; E208-N210 PolarHBondContact O-N 3.33Å; N210-M214 WeakPolarHBondContact O-CB 3.27Å; N210-M214 PolarHBondContact O-N 3.12Å
211A73.6Confident69.3Low41 Ų4165.2 Ų65.234%0.33935%0.349SS..Hα-helixtrans-64.8-50.617400000110.7W206 N207 E208 T209 V213 M214 Q215W206-A211 VanDerWaalsContact NE1-CA 3.34Å; N207-A211 PolarHBondContact O-N 3.24Å; N207-A211 VanDerWaalsContact O-N 3.13Å; E208-A211 WeakPolarHBondContact O-CB 3.14Å; E208-A211 PolarHBondContact O-N 3.29Å; T209-A211 VanDerWaalsContact C-N 3.29Å; T209-A211 PolarHBondContact O-N 2.82Å; A211-V213 PolarHBondContact O-N 3.45Å; A211-M214 PolarHBondContact O-N 2.92Å; A211-Q215 WeakPolarHBondContact O-CB 3.42Å; A211-Q215 PolarHBondContact O-N 2.87Å
212A76.9Confident70.2Confident37 Ų3765.9 Ų65.931%0.30636%0.355SS..Hα-helixtrans-60-43176.200000112.4L133 E208 T209 M214 Q215 F216L133-A212 HydrophobicContact CD1-CB 3.7Å; E208-A212 PolarHBondContact O-N 3.48Å; T209-A212 PolarHBondContact O-N 3.32Å; A212-M214 PolarHBondContact O-N 3Å; A212-Q215 PolarHBondContact O-N 2.87Å; A212-F216 VanDerWaalsContact O-CB 3.27Å; A212-F216 WeakPolarHBondContact O-CB 3.39Å; A212-F216 PolarHBondContact O-N 3.48Å
213V78.2Confident71.1Confident0 Ų063.3 Ų63.30%034%0.339CS..Hα-helixtrans-63.9-38.7175.3172.90000111.8L133 L187 T191 T209 A211 L217L133-V213 HydrophobicContact CD1-CG2 4.01Å; L133-V213 HydrophobicContact CD2-CG2 3.74Å; L187-V213 HydrophobicContact CB-CG2 4.15Å; L187-V213 HydrophobicContact CD1-CG2 4.31Å; T191-V213 HydrophobicContact CG2-CG1 4.3Å; T191-V213 WeakPolarHBondContact OG1-CG1 3.46Å; T209-V213 VanDerWaalsContact O-CG2 3.25Å; T209-V213 WeakPolarHBondContact O-CG2 3.24Å; T209-V213 PolarHBondContact O-N 3.44Å; A211-V213 PolarHBondContact O-N 3.45Å; V213-L217 HydrophobicContact CG1-CD1 3.87Å; V213-L217 HydrophobicContact CG1-CG 4.37Å; V213-L217 WeakPolarHBondContact O-CB 3.27Å; V213-L217 WeakPolarHBondContact O-CG 3.5Å; V213-L217 PolarHBondContact O-N 2.88Å
214M78.1Confident72.6Confident12 Ų1255.9 Ų55.96%0.05931%0.305CS..Hα-helixtrans-69.3-43.2177172.8175.6-9700112.2T191 V195 I200 W206 N210 A211 A212 L217 T218 Y228T191-M214 HydrophobicContact CG2-CB 4.04Å; V195-M214 HydrophobicContact CG2-CE 3.77Å; I200-M214 HydrophobicContact CD1-CE 3.9Å; I200-M214 HydrophobicContact CG1-CE 4.17Å; I200-M214 HydrophobicContact CG2-CE 3.83Å; I200-M214 HydrophobicContact CG2-SD 4.38Å; W206-M214 HydrophobicContact CH2-CE 3.29Å; W206-M214 HydrophobicContact CH2-SD 4.19Å; W206-M214 HydrophobicContact CZ2-CB 4.11Å; W206-M214 HydrophobicContact CZ2-CE 3.27Å; W206-M214 HydrophobicContact CZ2-CG 4.46Å; W206-M214 HydrophobicContact CZ2-SD 3.58Å; W206-M214 VanDerWaalsContact CZ2-SD 3.58Å; W206-M214 HydrophobicContact CZ3-CE 4.18Å; N210-M214 WeakPolarHBondContact O-CB 3.27Å; N210-M214 PolarHBondContact O-N 3.12Å; A211-M214 PolarHBondContact O-N 2.92Å; A212-M214 PolarHBondContact O-N 3Å; M214-L217 PolarHBondContact O-N 2.65Å; M214-T218 HydrophobicContact CG-CG2 4.5Å; M214-T218 WeakPolarHBondContact O-CB 3.21Å; M214-T218 WeakPolarHBondContact O-CG2 3.17Å; M214-T218 PolarHBondContact O-N 3.08Å; M214-T218 PolarHBondContact O-OG1 3.37Å; M214-Y228 HydrophobicContact CE-CD2 3.8Å; M214-Y228 HydrophobicContact CE-CE2 3.81Å; M214-Y228 HydrophobicContact CG-CD2 4.19Å; M214-Y228 HydrophobicContact CG-CE2 4.02Å; M214-Y228 HydrophobicContact SD-CD2 3.88Å; M214-Y228 HydrophobicContact SD-CE2 3.36Å; M214-Y228 WeakPolarHBondContact SD-CE2 3.42Å
215Q80Confident74.1Confident115 Ų11557 Ų5754%0.53730%0.3SS..Hα-helixtrans-59.5-49.5174.5-176.2174.91.100110.6A211 A212 L217 T218 Q219A211-Q215 WeakPolarHBondContact O-CB 3.42Å; A211-Q215 PolarHBondContact O-N 2.87Å; A212-Q215 PolarHBondContact O-N 2.87Å; Q215-L217 PolarHBondContact O-N 3.3Å; Q215-T218 PolarHBondContact O-N 2.94Å; Q215-T218 PolarHBondContact O-OG1 3.29Å; Q215-Q219 WeakPolarHBondContact O-CB 3.31Å; Q215-Q219 VanDerWaalsContact O-CG 3.26Å; Q215-Q219 WeakPolarHBondContact O-CG 3.43Å; Q215-Q219 PolarHBondContact O-N 3.22Å
216F79.5Confident75.2Confident9 Ų956.3 Ų56.34%0.03930%0.296CS..Hα-helixtrans-56.9-47.9174.2-177-76.3000112.5I136 E137 K140 L144 W184 A212 T218 Q219 H220I136-F216 HydrophobicContact CG2-CE2 4.09Å; I136-F216 HydrophobicContact CG2-CZ 3.75Å; E137-F216 HydrophobicContact CB-CD2 4.3Å; E137-F216 HydrophobicContact CB-CE2 3.84Å; E137-F216 HydrophobicContact CG-CD2 4.2Å; E137-F216 HydrophobicContact CG-CE2 3.92Å; K140-F216 HydrophobicContact CB-CZ 4.34Å; L144-F216 HydrophobicContact CD1-CE1 3.65Å; L144-F216 HydrophobicContact CD1-CZ 3.8Å; L144-F216 HydrophobicContact CD2-CE1 4.15Å; L144-F216 HydrophobicContact CD2-CZ 4.4Å; L144-F216 HydrophobicContact CG-CE1 4.43Å; L144-F216 HydrophobicContact CG-CZ 4.45Å; W184-F216 AromaticContact CH2-CD1 3.55Å; W184-F216 HydrophobicContact CH2-CD1 3.55Å; W184-F216 AromaticContact CH2-CE1 3.42Å; W184-F216 HydrophobicContact CH2-CE1 3.42Å; W184-F216 VanDerWaalsContact CH2-CE1 3.42Å; W184-F216 HydrophobicContact CH2-CG 4.32Å; W184-F216 HydrophobicContact CH2-CZ 4.09Å; W184-F216 HydrophobicContact CZ2-CD1 4.28Å; W184-F216 AromaticContact CZ2-CE1 3.75Å; W184-F216 HydrophobicContact CZ2-CE1 3.75Å; W184-F216 HydrophobicContact CZ2-CZ 4.39Å; W184-F216 HydrophobicContact CZ3-CD1 4.47Å; W184-F216 HydrophobicContact CZ3-CE1 4.5Å; A212-F216 VanDerWaalsContact O-CB 3.27Å; A212-F216 WeakPolarHBondContact O-CB 3.39Å; A212-F216 PolarHBondContact O-N 3.48Å; F216-T218 PolarHBondContact O-N 3.24Å; F216-Q219 PolarHBondContact O-N 3Å; F216-H220 WeakPolarHBondContact O-CB 3.39Å; F216-H220 PolarHBondContact O-N 3.33Å
217L81.1Confident75.9Confident9 Ų960.2 Ų60.25%0.04731%0.31CS..Hα-helixtrans-68.5-32.7-179.3-74.3172.8000112.9V188 T191 V213 M214 Q215 S221 V224V188-L217 HydrophobicContact CG1-CD1 4.21Å; V188-L217 HydrophobicContact CG1-CD2 4.14Å; V188-L217 HydrophobicContact CG2-CD1 4.39Å; V188-L217 HydrophobicContact CG2-CD2 4.27Å; T191-L217 HydrophobicContact CG2-CD1 4.02Å; V213-L217 HydrophobicContact CG1-CD1 3.87Å; V213-L217 HydrophobicContact CG1-CG 4.37Å; V213-L217 WeakPolarHBondContact O-CB 3.27Å; V213-L217 WeakPolarHBondContact O-CG 3.5Å; V213-L217 PolarHBondContact O-N 2.88Å; M214-L217 PolarHBondContact O-N 2.65Å; Q215-L217 PolarHBondContact O-N 3.3Å; L217-S221 WeakPolarHBondContact O-CA 3.3Å; L217-S221 WeakPolarHBondContact O-CB 3.32Å; L217-S221 PolarHBondContact O-N 2.93Å; L217-V224 HydrophobicContact CB-CB 4.39Å; L217-V224 HydrophobicContact CB-CG1 3.99Å
218T78.3Confident76.1Confident22 Ų2259.9 Ų59.914%0.13530%0.303CS..Hα-helixtrans-77.9-26.5175.952.40000112.6M214 Q215 F216 V224 R225 Y228M214-T218 HydrophobicContact CG-CG2 4.5Å; M214-T218 WeakPolarHBondContact O-CB 3.21Å; M214-T218 WeakPolarHBondContact O-CG2 3.17Å; M214-T218 PolarHBondContact O-N 3.08Å; M214-T218 PolarHBondContact O-OG1 3.37Å; Q215-T218 PolarHBondContact O-N 2.94Å; Q215-T218 PolarHBondContact O-OG1 3.29Å; F216-T218 PolarHBondContact O-N 3.24Å; T218-V224 HydrophobicContact CG2-CG1 4.22Å; T218-R225 WeakPolarHBondContact O-CB 3.27Å; T218-R225 WeakPolarHBondContact O-CD 3.49Å; T218-R225 WeakPolarHBondContact O-CG 3.45Å; T218-Y228 HydrophobicContact CG2-CD1 3.86Å; T218-Y228 HydrophobicContact CG2-CD2 4.27Å; T218-Y228 HydrophobicContact CG2-CG 3.63Å
219Q80.9Confident76.1Confident102 Ų10258.4 Ų58.448%0.47730%0.299SS..Hα-helixtrans-75.8-34.4170.1-72.4170.7-26.400112.9Q215 F216Q215-Q219 WeakPolarHBondContact O-CB 3.31Å; Q215-Q219 VanDerWaalsContact O-CG 3.26Å; Q215-Q219 WeakPolarHBondContact O-CG 3.43Å; Q215-Q219 PolarHBondContact O-N 3.22Å; F216-Q219 PolarHBondContact O-N 3Å
220H77.4Confident76.1Confident67 Ų6763 Ų6331%0.3133%0.327SS..Hα-helixtrans-120.84.4-167.8-58-33.9000115.7K140 L144 F216K140-H220 VanDerWaalsContact CD-NE2 3.27Å; K140-H220 WeakPolarHBondContact CD-NE2 3.47Å; K140-H220 PolarHBondContact NZ-CE1 2.93Å; K140-H220 PolarHBondContact NZ-NE2 2.92Å; L144-H220 HydrophobicContact CD1-CB 3.75Å; F216-H220 WeakPolarHBondContact O-CB 3.39Å; F216-H220 PolarHBondContact O-N 3.33Å
221S77.2Confident75.7Confident30 Ų3064 Ų6421%0.2134%0.335CS..  trans-136.197.9172.8-161.90000110.7L217 P223 V224 R225L217-S221 WeakPolarHBondContact O-CA 3.3Å; L217-S221 WeakPolarHBondContact O-CB 3.32Å; L217-S221 PolarHBondContact O-N 2.93Å; S221-P223 VanDerWaalsContact C-CD 3.43Å; S221-P223 VanDerWaalsContact C-N 3.31Å; S221-V224 WeakPolarHBondContact O-CA 3.49Å; S221-V224 PolarHBondContact O-N 2.86Å; S221-R225 PolarHBondContact O-N 3.45Å
222P74.2Confident75.1Confident93 Ų9364.7 Ų64.760%0.60434%0.335SS*.Hα-helixtrans-51.5-38.7-179.2-26.433.6000114.9V224 R225 L226P222-V224 VanDerWaalsContact C-N 3.28Å; P222-V224 PolarHBondContact O-N 2.74Å; P222-R225 WeakPolarHBondContact O-CB 3.47Å; P222-R225 PolarHBondContact O-N 2.84Å; P222-L226 WeakPolarHBondContact O-CG 3.45Å; P222-L226 PolarHBondContact O-N 3.05Å
223P73.6Confident73.9Confident79 Ų7966.8 Ų66.851%0.51335%0.345SS..Hα-helixtrans-65-26.4174.8-23.335.5000114.4S221 R227S221-P223 VanDerWaalsContact C-CD 3.43Å; S221-P223 VanDerWaalsContact C-N 3.31Å; P223-R227 WeakPolarHBondContact O-CG 3.49Å
224V74.5Confident72.3Confident12 Ų1271.4 Ų71.47%0.07338%0.375CS..Hα-helixtrans-80.7-40.3173.5-175.30000110.2L217 T218 S221 P222 L226 R227 Y228L217-V224 HydrophobicContact CB-CB 4.39Å; L217-V224 HydrophobicContact CB-CG1 3.99Å; T218-V224 HydrophobicContact CG2-CG1 4.22Å; S221-V224 WeakPolarHBondContact O-CA 3.49Å; S221-V224 PolarHBondContact O-N 2.86Å; P222-V224 VanDerWaalsContact C-N 3.28Å; P222-V224 PolarHBondContact O-N 2.74Å; V224-L226 PolarHBondContact O-N 3.16Å; V224-R227 PolarHBondContact O-N 3.48Å; V224-Y228 VanDerWaalsContact O-CB 3.31Å; V224-Y228 WeakPolarHBondContact O-CB 3.48Å; V224-Y228 PolarHBondContact O-N 3.25Å
225R79.7Confident70.7Confident152 Ų15275.7 Ų75.757%0.57441%0.406SS*.Hα-helixtrans-55.3-49.7174.7-168.5177.6172.2176.5-3.9112T218 S221 P222 Y228 L229T218-R225 WeakPolarHBondContact O-CB 3.27Å; T218-R225 WeakPolarHBondContact O-CD 3.49Å; T218-R225 WeakPolarHBondContact O-CG 3.45Å; S221-R225 PolarHBondContact O-N 3.45Å; P222-R225 WeakPolarHBondContact O-CB 3.47Å; P222-R225 PolarHBondContact O-N 2.84Å; R225-Y228 PolarHBondContact O-N 2.9Å; R225-L229 HydrophobicContact CG-CD1 4.33Å; R225-L229 WeakPolarHBondContact O-CG 3.24Å; R225-L229 PolarHBondContact O-N 3.41Å
226L74.2Confident68.9Low117 Ų11777.2 Ų77.261%0.61342%0.417SS*.Hα-helixtrans-59.2-48.9178.3-71.8170.2000111.9P222 V224 Y228 L229 T230P222-L226 WeakPolarHBondContact O-CG 3.45Å; P222-L226 PolarHBondContact O-N 3.05Å; V224-L226 PolarHBondContact O-N 3.16Å; L226-Y228 PolarHBondContact O-N 3.29Å; L226-L229 PolarHBondContact O-N 3.48Å; L226-T230 PolarHBondContact O-N 3.19Å; L226-T230 VanDerWaalsContact O-N 3.09Å; L226-T230 PolarHBondContact O-OG1 2.71Å
227R74.5Confident67.2Low137 Ų13786.5 Ų86.552%0.51746%0.457SS..Hα-helixtrans-63.2-42.8179.3-71178.6-173.1-159.40.1112.4V195 P223 V224 L229 T230 S231V195-R227 HydrophobicContact CG1-CB 3.99Å; P223-R227 WeakPolarHBondContact O-CG 3.49Å; V224-R227 PolarHBondContact O-N 3.48Å; R227-L229 VanDerWaalsContact C-N 3.34Å; R227-L229 PolarHBondContact O-N 3.4Å; R227-T230 WeakPolarHBondContact CA-OG1 3.27Å; R227-T230 PolarHBondContact O-N 3.27Å; R227-T230 PolarHBondContact O-OG1 2.76Å; R227-S231 WeakPolarHBondContact O-CB 3.35Å; R227-S231 PolarHBondContact O-N 3.17Å; R227-S231 VanDerWaalsContact O-N 3.08Å; R227-S231 PolarHBondContact O-OG 3.3Å
228Y71.9Confident65.1Low74 Ų7492.8 Ų92.829%0.2949%0.491SS..Hα-helixtrans-59-44.4176.9179.1-103.4000111.6I200 M214 T218 V224 R225 L226 S231 T232I200-Y228 HydrophobicContact CD1-CD2 3.9Å; I200-Y228 HydrophobicContact CG2-CD2 4.09Å; I200-Y228 HydrophobicContact CG2-CE2 3.69Å; M214-Y228 HydrophobicContact CE-CD2 3.8Å; M214-Y228 HydrophobicContact CE-CE2 3.81Å; M214-Y228 HydrophobicContact CG-CD2 4.19Å; M214-Y228 HydrophobicContact CG-CE2 4.02Å; M214-Y228 HydrophobicContact SD-CD2 3.88Å; M214-Y228 HydrophobicContact SD-CE2 3.36Å; M214-Y228 WeakPolarHBondContact SD-CE2 3.42Å; T218-Y228 HydrophobicContact CG2-CD1 3.86Å; T218-Y228 HydrophobicContact CG2-CD2 4.27Å; T218-Y228 HydrophobicContact CG2-CG 3.63Å; V224-Y228 VanDerWaalsContact O-CB 3.31Å; V224-Y228 WeakPolarHBondContact O-CB 3.48Å; V224-Y228 PolarHBondContact O-N 3.25Å; R225-Y228 PolarHBondContact O-N 2.9Å; L226-Y228 PolarHBondContact O-N 3.29Å; Y228-S231 WeakPolarHBondContact CA-OG 3.4Å; Y228-S231 PolarHBondContact O-N 2.91Å; Y228-S231 PolarHBondContact O-OG 3.43Å; Y228-S231 VanDerWaalsContact O-OG 3.13Å; Y228-T232 HydrophobicContact CD2-CG2 3.99Å; Y228-T232 HydrophobicContact CE1-CG2 4.18Å; Y228-T232 HydrophobicContact CE2-CG2 3.57Å; Y228-T232 HydrophobicContact CG-CG2 4.47Å; Y228-T232 WeakPolarHBondContact O-CB 3.3Å; Y228-T232 WeakPolarHBondContact O-CG2 3.44Å; Y228-T232 PolarHBondContact O-N 2.95Å; Y228-T232 PolarHBondContact O-OG1 2.91Å
229L71.8Confident63Low88 Ų88100.1 Ų100.146%0.46153%0.529SS..Hα-helixtrans-60.3-51.1175.2-68.8168000111.2R225 L226 R227 S231 T232 T233R225-L229 HydrophobicContact CG-CD1 4.33Å; R225-L229 WeakPolarHBondContact O-CG 3.24Å; R225-L229 PolarHBondContact O-N 3.41Å; L226-L229 PolarHBondContact O-N 3.48Å; R227-L229 VanDerWaalsContact C-N 3.34Å; R227-L229 PolarHBondContact O-N 3.4Å; L229-S231 PolarHBondContact O-N 3Å; L229-S231 VanDerWaalsContact O-N 3.08Å; L229-T232 PolarHBondContact O-N 3.13Å; L229-T232 PolarHBondContact O-OG1 3.38Å; L229-T233 PolarHBondContact O-N 3.46Å; L229-T233 PolarHBondContact O-OG1 2.96Å
230T69.7Low60.7Low108 Ų10898.1 Ų98.166%0.66354%0.535SS*.Hα-helixtrans-63.3-16.1179.453.60000115L226 R227 T233L226-T230 PolarHBondContact O-N 3.19Å; L226-T230 VanDerWaalsContact O-N 3.09Å; L226-T230 PolarHBondContact O-OG1 2.71Å; R227-T230 WeakPolarHBondContact CA-OG1 3.27Å; R227-T230 PolarHBondContact O-N 3.27Å; R227-T230 PolarHBondContact O-OG1 2.76Å; T230-T233 PolarHBondContact O-OG1 3.41Å
231S63.5Low58.6Low39 Ų39102 Ų10227%0.27356%0.559SS.*Hα-helixtrans-106.9-8.7179.2470000114.1I200 R227 Y228 L229I200-S231 WeakPolarHBondContact CD1-OG 3.47Å; R227-S231 WeakPolarHBondContact O-CB 3.35Å; R227-S231 PolarHBondContact O-N 3.17Å; R227-S231 VanDerWaalsContact O-N 3.08Å; R227-S231 PolarHBondContact O-OG 3.3Å; Y228-S231 WeakPolarHBondContact CA-OG 3.4Å; Y228-S231 PolarHBondContact O-N 2.91Å; Y228-S231 PolarHBondContact O-OG 3.43Å; Y228-S231 VanDerWaalsContact O-OG 3.13Å; L229-S231 PolarHBondContact O-N 3Å; L229-S231 VanDerWaalsContact O-N 3.08Å
232T61.8Low56.7Low56 Ų56107.7 Ų107.734%0.34459%0.586SS.*Hα-helixtrans-109.4-13.3175.151.60000113.5I200 Y228 L229 P234I200-T232 HydrophobicContact CB-CG2 4.36Å; I200-T232 HydrophobicContact CG2-CG2 3.63Å; Y228-T232 HydrophobicContact CD2-CG2 3.99Å; Y228-T232 HydrophobicContact CE1-CG2 4.18Å; Y228-T232 HydrophobicContact CE2-CG2 3.57Å; Y228-T232 HydrophobicContact CG-CG2 4.47Å; Y228-T232 WeakPolarHBondContact O-CB 3.3Å; Y228-T232 WeakPolarHBondContact O-CG2 3.44Å; Y228-T232 PolarHBondContact O-N 2.95Å; Y228-T232 PolarHBondContact O-OG1 2.91Å; L229-T232 PolarHBondContact O-N 3.13Å; L229-T232 PolarHBondContact O-OG1 3.38Å; T232-P234 WeakPolarHBondContact O-CD 3.26Å
233T51.2Low54.6Low82 Ų82112 Ų11250%0.50360%0.598SS.*SBendtrans-63.6118.9160.545.80000109.9L229 T230L229-T233 PolarHBondContact O-N 3.46Å; L229-T233 PolarHBondContact O-OG1 2.96Å; T230-T233 PolarHBondContact O-OG1 3.41Å
234P45.3Very low52.8Low97 Ų97113 Ų11363%0.6361%0.607SS**  trans-60.9154.2167.527.6-34.1000109.9T232 L236T232-P234 WeakPolarHBondContact O-CD 3.26Å; P234-L236 PolarHBondContact O-N 3.28Å
235S43.5Very low50.8Low101 Ų101117 Ų11771%0.70664%0.64SS**SBendtrans-72.835.2-163.449.50000116.4F237 N238S235-F237 PolarHBondContact O-N 3.21Å; S235-F237 VanDerWaalsContact O-N 3.16Å; S235-N238 WeakPolarHBondContact O-CB 3.22Å; S235-N238 PolarHBondContact O-N 2.93Å
236L43Very low48.8Very low148 Ų148115.4 Ų115.478%0.77565%0.653SS**G310 helixtrans-62.9-17.6177.4-67.4172.3000113.9P234 N238P234-L236 PolarHBondContact O-N 3.28Å; L236-N238 VanDerWaalsContact C-N 3.34Å
237F44.5Very low46.9Very low203 Ų203114.9 Ų114.989%0.8966%0.659SS**G310 helixtrans-86.33.5171.9-79.2-75000114.5S235 L239S235-F237 PolarHBondContact O-N 3.21Å; S235-F237 VanDerWaalsContact O-N 3.16Å; F237-L239 VanDerWaalsContact C-N 3.3Å
238N36.3Very low45.1Very low141 Ų141114.5 Ų114.575%0.75467%0.672SS**G310 helixtrans-92.613.6175-146.67.6000113.2S235 L236S235-N238 WeakPolarHBondContact O-CB 3.22Å; S235-N238 PolarHBondContact O-N 2.93Å; L236-N238 VanDerWaalsContact C-N 3.34Å
239L34.4Very low43.4Very low176 Ų176116.5 Ų116.592%0.92170%0.697SS**  trans-103.674.1173.7-131.975.4000109.2F237F237-L239 VanDerWaalsContact C-N 3.3Å
240G32.9Very low41.8Very low60 Ų60117 Ų11762%0.61971%0.708SS**  trans-163.810.6-169.800000117.1L242G240-L242 PolarHBondContact O-N 3.14Å
241N32Very low40.7Very low150 Ų150120.2 Ų120.280%0.80272%0.718SS**  trans-78.361.2174.1-167.337.5000111.4
242L37.4Very low39.5Very low148 Ų148126.4 Ų126.478%0.77575%0.746SS**  trans-116.293.9173.8-88167.9000108.9G240 S244G240-L242 PolarHBondContact O-N 3.14Å; L242-S244 PolarHBondContact O-N 3.49Å
243Q31.6Very low38.2Very low185 Ų185128.8 Ų128.886%0.86477%0.766SS**  trans-7270.6168.9-68178.6-1900109.9A245Q243-A245 PolarHBondContact O-N 2.88Å; Q243-A245 VanDerWaalsContact O-N 3.14Å
244S34.4Very low37.5Very low100 Ų100131.4 Ų131.470%0.69978%0.781SS**  trans-75.698174.3-65.90000109.6L242 S246L242-S244 PolarHBondContact O-N 3.49Å; S244-S246 PolarHBondContact O-N 2.93Å
245A32.8Very low36.9Very low94 Ų94130.4 Ų130.478%0.77778%0.781SS**  trans-70.6119.6-178.600000112.1Q243Q243-A245 PolarHBondContact O-N 2.88Å; Q243-A245 VanDerWaalsContact O-N 3.14Å
246S37.3Very low36.5Very low119 Ų119129.4 Ų129.483%0.83278%0.779SS**  trans-123.783.716363.40000109.3S244S244-S246 PolarHBondContact O-N 2.93Å
247S34.4Very low36.2Very low107 Ų107126.6 Ų126.675%0.74878%0.778SS**  trans-73.5134.2-174.9-530000112.8
248T38.1Very low35.6Very low129 Ų129121.6 Ų121.679%0.79177%0.774SS**  trans-168.3131.3135.121.70000111.5
249S36.2Very low35.5Very low115 Ų115119.7 Ų119.780%0.80478%0.777SS**  trans54.4133.7160.846.50000119.3
250S38.3Very low35.6Very low99 Ų99115.3 Ų115.369%0.69277%0.767SS**  cis-162.61423.949.60000112.2
251M45.1Very low35.8Very low176 Ų176119 Ų11987%0.86778%0.777SS**  trans52.9119.7144-66.6179.6173.400118.2
252L39.4Very low36Very low168 Ų168116.1 Ų116.188%0.8877%0.774SS**  cis-146.7152.829.9-81.3109.2000114.3
253S34.8Very low36Very low107 Ų107114 Ų11475%0.74877%0.772SS**  trans-80.2-176.1162-48.50000110.5
254T35Very low36.4Very low136 Ų136110 Ų11083%0.83476%0.764SS**  cis-162.8178.815.5-18.60000106
255A33.9Very low36.5Very low76 Ų76110.5 Ų110.563%0.62877%0.767SS**  cis-155-172.5-0.400000107.1
256A35.2Very low36.8Very low80 Ų80110.8 Ų110.866%0.66176%0.764SS**  cis-139.6-127.8-2.900000106.6M602A256-M602 HydrophobicContact CB-CE 3.94Å
257A35.8Very low36.8Very low90 Ų90109.8 Ų109.874%0.74476%0.757SS**  cis-167.7157.2-18.100000106.5
258A32.3Very low37.1Very low97 Ų97112.1 Ų112.180%0.80276%0.758SS**  cis-160.8169-25.700000109.1
259A35.1Very low37Very low101 Ų101112.7 Ų112.784%0.83576%0.756SS**  trans10213316300000116.7
260A35.6Very low36.8Very low85 Ų85111.8 Ų111.870%0.70275%0.748SS**  cis-159.6174.5-9.200000111.4
261V37.9Very low36.5Very low138 Ų138112.4 Ų112.484%0.83675%0.748SS**  trans52.5109.3163.5-760000118.2
262A35.5Very low36.1Very low88 Ų88111.8 Ų111.873%0.72775%0.748SS**  91.1142.879.100000112.4
263S38.2Very low35.8Very low105 Ų105106.7 Ų106.773%0.73474%0.737SS**  cis-161163.92.1-119.80000112.3
264S38.3Very low35.9Very low101 Ų101111.1 Ų111.171%0.70674%0.743SS**  trans62112.2152.9-53.90000118.7
265S37.2Very low35.9Very low109 Ų109111 Ų11176%0.76274%0.737SS**  93.2140.391.770.20000113.7
266S39.4Very low36.1Very low100 Ų100115.6 Ų115.670%0.69975%0.745SS**  cis-169.7150.5-3440000111.2
267S36.2Very low36.4Very low98 Ų98117.9 Ų117.969%0.68575%0.745SS**  trans29.7145.2136.581.30000121.3
268M41.8Very low36.5Very low156 Ų156120.4 Ų120.477%0.76875%0.746SS**  cis-156.317122.6-71.1-171.3170.300112.2
269N35.4Very low36.8Very low142 Ų142121 Ų12176%0.75974%0.744SS**  trans39.1149.5132.5-66.5-6.3000123.2
270C31.7Very low37Very low95 Ų95123.3 Ų123.364%0.64274%0.742SS**  cis-171.7155.9-1454.90000112.7
271T33.4Very low37Very low112 Ų112122.7 Ų122.769%0.68773%0.733SS**  trans54.2148.4145.350.40000123.6
272N36.1Very low37.1Very low163 Ų163127 Ų12787%0.87274%0.736SS**  trans74.7143.1167.7-53.1-20.4000116.1
273G32.3Very low37.2Very low62 Ų62126.1 Ų126.164%0.63974%0.736SS**  cis159.6162.5-7.200000112.9
274F36.7Very low37.2Very low200 Ų200129.7 Ų129.788%0.87775%0.746SS**  trans77.1108.7172.6-77.1-97.7000120.9
275N36.5Very low37.1Very low132 Ų132130.1 Ų130.171%0.70675%0.749SS**  25.2134.1124.6-57.8-26.3000121.8
276H38.3Very low37.1Very low174 Ų174132.2 Ų132.281%0.80675%0.751SS**  -172.4114120.9-106.5-89000108.5
277I40.2Very low37.1Very low128 Ų128131.4 Ų131.466%0.65675%0.745SS**  79.5117.488.2-72.6-172.3000116.2
278N37.7Very low37.1Very low143 Ų143133 Ų13377%0.76575%0.746SS**  trans56.7154.2158-66.4-9.6000119.1
279S40.2Very low36.9Very low108 Ų108134.9 Ų134.976%0.75575%0.75SS**  cis-150.7164.528.2-490000115.2
280N37.9Very low37Very low150 Ų150133.4 Ų133.480%0.80274%0.742SS**  trans-22.6161.9160.2-46.4-17.4000117.4
281S36.3Very low37.1Very low73 Ų73134.9 Ų134.951%0.5174%0.744SS.*  cis-174.6164.939.6-161.30000115
282Y40.2Very low37.2Very low228 Ų228133.8 Ų133.889%0.89474%0.74SS**  trans67143.1169.4-40.7-64.7000115.5
283G36.2Very low37.2Very low70 Ų70136.8 Ų136.872%0.72274%0.741SS**  cis132.1125.211.100000107.5
284L40.1Very low37.4Very low180 Ų180140.3 Ų140.394%0.94275%0.745SS**  cis-143.4172.944.4-72.6163.5000112.9
285S35Very low37.3Very low110 Ų110136.2 Ų136.277%0.76974%0.737SS**  trans-113.6157.6-172.7-49.80000114.1
286N36.8Very low37.3Very low153 Ų153135.7 Ų135.782%0.81874%0.739SS**  trans-166.9109.7135.4-96.4-4.9000107
287S39.4Very low37.2Very low82 Ų82133.1 Ų133.157%0.57374%0.735SS**  82.2140.259.974.60000113.9
288N37.7Very low37.1Very low132 Ų132133 Ų13371%0.70674%0.736SS**  cis-172.8140.3-21.4-106.9-7.7000107.5L290N288-L290 HydrophobicContact CB-CD1 4.36Å
289F36.2Very low37.2Very low195 Ų195132 Ų13286%0.85573%0.73SS**  trans174.599.4142.1-117.4-96.4000105.9
290L37.9Very low37.2Very low112 Ų112133.8 Ų133.859%0.58673%0.731SS**  51.4103.677.9-71.7111.4000111.8N288N288-L290 HydrophobicContact CB-CD1 4.36Å
291D33.8Very low37.5Very low126 Ų126130.6 Ų130.667%0.67472%0.721SS**  90.8115.871.6-86.7-56.3000111
292S34.7Very low37.7Very low88 Ų88134.6 Ų134.662%0.61574%0.737SS**  68.8117.283-56.10000112.6
293Y37Very low37.7Very low227 Ų227128.7 Ų128.789%0.8973%0.729SS**  -169.6110.9123.3-96-59.1000113
294N37.4Very low38.1Very low135 Ų135129.9 Ų129.972%0.72273%0.726SS**  trans29.4121.7139.7-152.111.3000121.7
295T33.3Very low38.5Very low114 Ų114127.9 Ų127.970%0.69972%0.715SS**  trans-11.6133.6139.9-2.60000117.7
296T37Very low38.8Very low122 Ų122129 Ų12975%0.74871%0.712SS**  179.6126109.3-70.30000112.4
297T36.3Very low39.3Very low119 Ų119128.6 Ų128.673%0.7371%0.709SS**  trans-5.3129.7156-18.70000119
298N37Very low39.4Very low127 Ų127130.6 Ų130.668%0.67971%0.713SS**  155.5158.687.8-151.36.2000114.3
299N41Very low39.4Very low120 Ų120129 Ų12964%0.64271%0.712SS**  trans63.6112.1157.1-69.8-23.4000122.2
300N40.7Very low39.5Very low146 Ų146124.3 Ų124.378%0.78170%0.703SS**  94.7130.7123.1-88.3-5.8000123.8
301S42.8Very low39.6Very low84 Ų84126.3 Ų126.359%0.58771%0.713SS**  trans8190.9134.7-61.70000121.4
302N41Very low39.8Very low157 Ų157129.8 Ų129.884%0.8472%0.722SS**  78.5156.6123.2-62.1-9.2000120.5
303S41.1Very low40.3Very low104 Ų104131.2 Ų131.273%0.72773%0.73SS**  trans63.9105.1-175.1-156.80000113.7
304S44.3Very low40.3Very low95 Ų95126.5 Ų126.566%0.66472%0.72SS**  65135.861.598.60000112.4
305I47.5Very low40.3Very low138 Ų138127.4 Ų127.471%0.70873%0.725SS**  cis-154.5142.127.6-143.4153.9000113.5
306N41.6Very low40.6Very low132 Ų132129.2 Ų129.271%0.70673%0.725SS**  trans62.7154.6152.4-70.9-6.5000121.2
307I47.3Very low40.5Very low146 Ų146132.5 Ų132.575%0.74973%0.732SS**  cis138.7101.344.6-65.4150.9000112.6
308N40.9Very low40.5Very low123 Ų123132.7 Ų132.766%0.65874%0.738SS**  cis-158.61634-168.815.5000111.2
309S37.9Very low40.4Very low98 Ų98130.9 Ų130.969%0.68574%0.736SS**  trans63145.7146.860.50000120.7
310S38.9Very low40Very low97 Ų97130.3 Ų130.368%0.67874%0.741SS**  cis-143.2126.212.858.70000115.3
311I41.1Very low39.9Very low154 Ų154131.7 Ų131.779%0.7974%0.741SS**  trans50.495.3134.1-47.1173.1000117.6
312F37.2Very low39.8Very low199 Ų199135.6 Ų135.687%0.87375%0.751SS**  -100.2162.7128.2-88.5-90.8000108.4
313P44.4Very low39.6Very low119 Ų119136.1 Ų136.177%0.77375%0.754SS**  -124117.6119.833.5-29.8000111.9
314N37.1Very low39.3Very low127 Ų127136 Ų13668%0.67975%0.753SS**  trans-69.9132.5158.6179.27.6000108
315N38.1Very low38.7Very low154 Ų154138.1 Ų138.182%0.82476%0.762SS**  trans-128.3119.1166.6-162.811.4000109.3
316Q38.7Very low38.3Very low152 Ų152136.5 Ų136.571%0.7176%0.763SS**  trans-85.7134.1-176.4-58.6179.415.200110.1
317Q36.7Very low38.1Very low191 Ų191139.7 Ų139.789%0.89377%0.77SS**  trans-151.9108.1149.5-118169.422.200111.4S319Q317-S319 PolarHBondContact O-N 3.16Å
318S34.6Very low37.8Very low123 Ų123137.7 Ų137.786%0.8677%0.769SS**  trans-71.5122.4174.8-53.70000110.2
319S35.1Very low37.7Very low89 Ų89139 Ų13962%0.62278%0.776SS**  trans-142.4126.516355.10000111.2Q317Q317-S319 PolarHBondContact O-N 3.16Å
320S33.9Very low37.7Very low109 Ų109143.5 Ų143.576%0.76278%0.784SS**  trans-78.9121.8174.2175.60000109.5
321F37.6Very low37.8Very low175 Ų175147.5 Ų147.577%0.76879%0.794SS**  trans-102.490170-85.6-82.7000110.8
322M41.6Very low37.7Very low165 Ų165146 Ų14681%0.81379%0.787SS**  trans-68.5126.3157.5-71.4-169.2174.100109.1S324M322-S324 VanDerWaalsContact C-N 3.25Å; M322-S324 PolarHBondContact O-N 3.13Å
323L36.5Very low37.8Very low169 Ų169144.3 Ų144.389%0.88578%0.782SS**  trans-73.781.2169.5-84.777.1000110T325L323-T325 PolarHBondContact O-N 2.8Å
324S33.9Very low37.8Very low101 Ų101145.8 Ų145.871%0.70678%0.784SS**  trans-73.5121.4168.8-171.50000110.2M322 S326M322-S324 VanDerWaalsContact C-N 3.25Å; M322-S324 PolarHBondContact O-N 3.13Å; S324-S326 PolarHBondContact O-N 3.23Å; S324-S326 VanDerWaalsContact O-N 3.08Å
325T32.7Very low38.1Very low139 Ų139145.5 Ų145.585%0.85378%0.782SS**  trans-82.981.4-178.254.60000111.7L323L323-T325 PolarHBondContact O-N 2.8Å
326S38.3Very low38.3Very low104 Ų104146.3 Ų146.373%0.72778%0.778SS**  trans-80.1121.6173.6-66.70000111.8S324S324-S326 PolarHBondContact O-N 3.23Å; S324-S326 VanDerWaalsContact O-N 3.08Å
327K37.9Very low38.4Very low199 Ų199145.9 Ų145.987%0.86578%0.781SS**  trans-68.5126.5163.4-76.9179.5172.9-178.70109.4
328S40.5Very low38.8Very low105 Ų105142.8 Ų142.873%0.73478%0.78SS**  trans-102.6110.9156.545.80000109.2
329N38.7Very low39.4Very low150 Ų150142.1 Ų142.180%0.80278%0.776SS**  trans-72.5128.6159.4-67.7-13.4000106.7
330F37.8Very low39.8Very low193 Ų193145 Ų14585%0.84678%0.784SS**  trans-128.2101.4167.5-130.8-86.5000109.3
331M41.1Very low40.6Very low181 Ų181147.5 Ų147.589%0.89279%0.789SS**  trans-135.6102.7174.1-174.3179.3-166.100105.1
332N38.8Very low40.9Very low121 Ų121143.3 Ų143.365%0.64778%0.781SS**  trans-127.6130.8173.3-151.352.7000108.7D334N332-D334 PolarHBondContact ND2-OD2 3.22Å
333Q40.9Very low41.3Very low164 Ų164142.2 Ų142.277%0.76678%0.779SS**  trans-90139.4165.1-63.7176.1-8.400107.3
334D44Very low41.7Very low150 Ų150140.5 Ų140.580%0.80277%0.771SS**  trans-129.3143.1163.1-84.1-66.9000109.3N332N332-D334 PolarHBondContact ND2-OD2 3.22Å
335N43.7Very low42Very low122 Ų122141.4 Ų141.465%0.65277%0.772SS**  trans-147.4127-147.9-163-1.6000112
336K42.5Very low42.3Very low170 Ų170140.6 Ų140.674%0.73977%0.767SS**  trans74.2141.5157.4-84.6166.4-175.6-179.10122.7
337N41Very low42.4Very low143 Ų143141 Ų14177%0.76577%0.765SS**  trans85.999.5136.5-73.413.4000122.8
338S43.6Very low42.6Very low126 Ų126137.4 Ų137.488%0.88176%0.756SS**  -169.8151.2127.5-83.10000108.8
339S47.1Very low42.7Very low109 Ų109138.3 Ų138.376%0.76275%0.752SS**  cis-156.2158.6-12-179.30000109.8
340N44.1Very low43Very low150 Ų150137 Ų13780%0.80275%0.746SS**  trans-43.1148.5-177-49.7-28.7000117.6
341N50Low43.4Very low162 Ų162134.6 Ų134.687%0.86674%0.741SS**  -153.6162.8110.5-149.3-6.2000111.9
342S45.1Very low43.4Very low86 Ų86130.9 Ų130.960%0.60173%0.733SS**  trans-115.3154.6-163.2-56.10000114.3
343N49Very low43.5Very low143 Ų143130.7 Ų130.777%0.76574%0.741SS**  172.2129110.2-84.4-25.3000116.1
344N44.3Very low43.7Very low132 Ų132127.4 Ų127.471%0.70674%0.736SS**  trans62.9117.8138.5-73.92.9000125.2
345T41.4Very low43.7Very low121 Ų121126.7 Ų126.774%0.74273%0.732SS**  66.5143.8127.961.80000121.1
346T39.3Very low43.6Very low121 Ų121127 Ų12774%0.74273%0.734SS**  cis-160.8166.7-10.6-90.10000109
347T40.9Very low43.5Very low113 Ų113125.3 Ų125.369%0.69373%0.733SS**  trans-55.6167.9176.257.30000113.9
348N41.2Very low43.4Very low123 Ų123125.3 Ų125.366%0.65874%0.739SS**  cis-174.9152.847.3-140.11.8000115.4
349N42.5Very low43.1Very low124 Ų124123.1 Ų123.166%0.66374%0.736SS**  trans63.4133140.3-81.4-1000126.9
350N45Very low42.9Very low124 Ų124126.2 Ų126.266%0.66374%0.738SS**  trans101.6113.5130.3-70.80.5000124.6
351N45.8Very low42.9Very low142 Ų142126 Ų12676%0.75974%0.736SS**  95.7130.2122.2-78.30.8000125.5
352S41Very low42.4Very low102 Ų102121.9 Ų121.971%0.71372%0.72SS**  trans88.7110.8138.8-65.60000122.6
353S41.8Very low42.2Very low117 Ų117127.3 Ų127.382%0.81873%0.733SS**  46.7138.7115.7-620000120.7
354S45.1Very low41.7Very low96 Ų96124 Ų12467%0.67173%0.733SS**  cis-174154.722.845.20000115.5
355N42.7Very low41.5Very low134 Ų134124.4 Ų124.472%0.71774%0.735SS**  trans59.8112.8135.9-62.83.2000124.6
356N42.3Very low41.6Very low128 Ų128127.5 Ų127.568%0.68474%0.741SS**  84.7128.4113.9-61.9-2.4000124.9
357N41Very low41.6Very low136 Ų136129.7 Ų129.773%0.72774%0.743SS**  trans83.1104.8135.1-66.21.1000123.3
358T37.1Very low42.1Very low143 Ų143128.2 Ų128.288%0.87774%0.735SS**  51111.9112.9-43.60000120.2
359G39.3Very low42.2Very low79 Ų79129 Ų12981%0.81474%0.739SS**  trans-165.8113.9169.800000115.3
360Q42.6Very low42.1Very low175 Ų175129.4 Ų129.482%0.81874%0.741SS**  trans-55.8158.1-177.6-100.1-179.7-10.700119.9
361L42.6Very low42.2Very low146 Ų146129.9 Ų129.976%0.76474%0.743SS**  trans64151.6147-61.3161.7000119.5
362S39.8Very low42Very low74 Ų74129.7 Ų129.752%0.51774%0.742SS.*  cis164.8154-24.8-176.80000107.2
363F41.2Very low41.9Very low200 Ų200129 Ų12988%0.87774%0.738SS**  trans73.8141.1169.7-47.4-68.1000118.9
364G38.3Very low42Very low75 Ų75128.4 Ų128.477%0.77373%0.733SS**  trans158.467.3175.800000115.9
365N40.5Very low41.9Very low140 Ų140128.9 Ų128.975%0.74973%0.732SS**  trans-54.8150.4-178.2-43.2-23000114.6
366H43.4Very low42.1Very low186 Ų186129.9 Ų129.986%0.86173%0.733SS**  -172.9147.1106.6-110.1-81.9000116.4
367E39.9Very low42.3Very low167 Ų167131.7 Ų131.778%0.7874%0.737SS**  trans-94.9-174.6174.6-106.4-160114.900112
368P50.2Low42.6Very low82 Ų82133.1 Ų133.153%0.53275%0.745SS.*  cis-141.2-148.3-3638.2-17.1000112.8
369N44.2Very low42.7Very low138 Ų138133.7 Ų133.774%0.73874%0.742SS**  trans85.5143.2166.6-53.4-46.3000116.3
370N40.2Very low43.2Very low133 Ų133136.9 Ų136.971%0.71175%0.746SS**  cis-160.514134.2-127.4-7.3000115
371L47.4Very low43.1Very low134 Ų134134.9 Ų134.970%0.70274%0.74SS**  trans60146.5136.7-70.6168.9000126.1
372N42.5Very low43Very low139 Ų139136.7 Ų136.774%0.74375%0.747SS**  trans77.6144.1150.1-67.6-4.5000121
373S38.1Very low43.2Very low88 Ų88137.9 Ų137.962%0.61575%0.751SS**  cis-174.5148.7-18.750.60000111.9
374S42.8Very low42.9Very low103 Ų103134.5 Ų134.572%0.7274%0.743SS**  trans60.4154.3148.756.90000119.7
375T44.2Very low42.9Very low106 Ų106138.9 Ų138.965%0.6575%0.746SS**  cis-153.7145.7-0.4-2.70000111.7
376E46.5Very low43Very low156 Ų156137.4 Ų137.473%0.72974%0.743SS**  trans49.3114.4135.7-71.9153.8-152.700123.6
377E47.6Very low42.8Very low166 Ų166135.5 Ų135.578%0.77674%0.739SS**  62.2124.5119.4-63.6172.1-153.500122.4
378N45.7Very low42.9Very low166 Ų166133.7 Ų133.789%0.88874%0.739SS**  -169142.4108.9-103.8-89.1000111.3
379D40.7Very low42.5Very low155 Ų155138.1 Ų138.183%0.82975%0.752SS**  trans-80.2159.3175.9-76.5-56.1000113.2
380V49.2Very low42Very low146 Ų146139.1 Ų139.189%0.88576%0.758SS**  -157.2129.2123.8164.30000109.3
381D39.9Very low42Very low132 Ų132139.1 Ų139.171%0.70676%0.763SS**  trans-81.4150.6176.4-136.6-28.5000112.8
382M41.4Very low41.6Very low184 Ų184139.3 Ų139.391%0.90677%0.77SS**  177.6169.2118.8-96-159.2-158.500114.4
383T43.3Very low41.6Very low99 Ų99139.3 Ų139.361%0.60778%0.775SS**  trans-133178.8-152.250.90000114.4
384N34.5Very low41.6Very low130 Ų130141.3 Ų141.370%0.69578%0.783SS**  trans80.8127.4162-58.1-44000119.6
385I39.7Very low41.6Very low166 Ų166145.6 Ų145.685%0.85179%0.792SS**  -159.299.299.7-91.3153.4000106.4
386T42.5Very low41.5Very low110 Ų110144.2 Ų144.268%0.67580%0.798SS**  86.912085.2-58.30000113.3
387N38.4Very low41.2Very low146 Ų146141.3 Ų141.378%0.78180%0.801SS**PPolyproline II helixtrans-98144.4173.6-174.619.3000109.8
388V42.1Very low40.9Very low128 Ų128139.2 Ų139.278%0.77681%0.805SS**PPolyproline II helixtrans-100.8120.8-175.1-179.60000110.7
389Q40.9Very low40.6Very low175 Ų175138.6 Ų138.682%0.81880%0.802SS**PPolyproline II helixtrans-101.5153.6172.8-72.9-174.8-49.200111.8
390N35.1Very low40.8Very low160 Ų160138 Ų13886%0.85680%0.804SS**  trans-104.5117.6179.2-130.512000109.4
391T40.4Very low40.3Very low133 Ų133134.5 Ų134.582%0.81680%0.797SS**  trans-143.3134.7167.139.20000110.4
392T38.7Very low40.2Very low138 Ų138135.5 Ų135.585%0.84780%0.802SS**  trans-127.1120.7180-47.20000108.7
393T42.2Very low40.1Very low138 Ų138134.4 Ų134.485%0.84780%0.798SS**  trans-134.9143.7173.7-47.90000110.4
394V38.8Very low40.1Very low130 Ų130135.7 Ų135.779%0.78881%0.806SS**  trans-83.8144.6-165-177.90000112.5
395E42.4Very low40.3Very low194 Ų194133.4 Ų133.491%0.90781%0.813SS**  173.3151.5129.9-95.2172.5-158.900110.3
396G41.7Very low40.5Very low76 Ų76130.6 Ų130.678%0.78481%0.808SS**  trans160.3-4.5174.800000123.9
397A39.3Very low40.7Very low96 Ų96132 Ų13279%0.79382%0.816SS**  trans61.5154.816700000121.1
398S41Very low40.8Very low122 Ų122131.3 Ų131.385%0.85381%0.808SS**  trans63.3147.2-179.569.40000116.8
399D40.1Very low41.2Very low153 Ų153132.9 Ų132.982%0.81881%0.807SS**  cis-133.9173.30.5-156-3.3000112.1
400V44.9Very low41.6Very low143 Ų143127.8 Ų127.887%0.86779%0.79SS**  trans-89.6123.1-169-178.20000112.7
401G38.8Very low42.3Very low72 Ų72128.1 Ų128.174%0.74279%0.785SS**  trans-163102.3173.500000114.1
402N37.5Very low42.6Very low152 Ų152128.5 Ų128.581%0.81378%0.781SS**  trans-99.6104.9179.4178.524.6000111.1
403I40.7Very low42.8Very low161 Ų161126.8 Ų126.883%0.82677%0.774SS**  trans-134.1131.4171.7-60.9-177.1000110.5
404T43.1Very low42.9Very low127 Ų127124.2 Ų124.278%0.77976%0.762SS**  trans-86.2135.5178.5510000112.9
405G38.2Very low43Very low81 Ų81126.7 Ų126.784%0.83576%0.763SS**  trans96.6117.3146.900000117.7
406S43.1Very low42.9Very low107 Ų107120.2 Ų120.275%0.74874%0.739SS**  trans-163.6118.6134.5-1750000108.6H408S406-H408 PolarHBondContact O-N 2.89Å
407V47.3Very low43.2Very low139 Ų139122 Ų12284%0.84274%0.736SS**  trans-88.9103.7171.8-177.90000106.9E409V407-E409 PolarHBondContact O-N 3.5Å; V407-E409 VanDerWaalsContact O-N 3.09Å
408H41.1Very low44Very low132 Ų132124.2 Ų124.261%0.61173%0.729SS**  trans-72.1104.5-171.6-142.7-83.2000110.9S406 S410S406-H408 PolarHBondContact O-N 2.89Å; H408-S410 PolarHBondContact CE1-OG 3.28Å; H408-S410 VanDerWaalsContact CE1-OG 3.31Å; H408-S410 PolarHBondContact ND1-OG 3.36Å; H408-S410 PolarHBondContact O-N 2.96Å
409E48.9Very low44.1Very low161 Ų161125.2 Ų125.275%0.75272%0.724SS**G310 helixtrans-65.2-6.1-172.2-61.8-166.4130.900115.3V407 F411 L412V407-E409 PolarHBondContact O-N 3.5Å; V407-E409 VanDerWaalsContact O-N 3.09Å; E409-F411 PolarHBondContact O-N 2.94Å; E409-L412 PolarHBondContact O-N 2.96Å; E409-L412 VanDerWaalsContact O-N 3.1Å
410S49.3Very low44.3Very low68 Ų68126.4 Ų126.448%0.47673%0.725SS.*G310 helixtrans-59.3-13-175-50.40000115.6H408 L412H408-S410 PolarHBondContact CE1-OG 3.28Å; H408-S410 VanDerWaalsContact CE1-OG 3.31Å; H408-S410 PolarHBondContact ND1-OG 3.36Å; H408-S410 PolarHBondContact O-N 2.96Å; S410-L412 VanDerWaalsContact C-N 3.26Å; S410-L412 PolarHBondContact O-N 3.39Å
411F50.2Low44Very low168 Ų168124.1 Ų124.174%0.73772%0.715SS**G310 helixtrans-72.7-12174.6-74.3-77.4000114.5E409 S414E409-F411 PolarHBondContact O-N 2.94Å; F411-S414 PolarHBondContact O-OG 3.22Å; F411-S414 VanDerWaalsContact O-OG 3.12Å
412L46.9Very low44.3Very low140 Ų140130.1 Ų130.173%0.73372%0.721SS**SBendtrans-91.9-27176.2-62.1-179.1000113.1E409 S410 S414E409-L412 PolarHBondContact O-N 2.96Å; E409-L412 VanDerWaalsContact O-N 3.1Å; S410-L412 VanDerWaalsContact C-N 3.26Å; S410-L412 PolarHBondContact O-N 3.39Å; L412-S414 VanDerWaalsContact C-N 3.27Å; L412-S414 PolarHBondContact O-N 2.85Å
413S44.3Very low44.7Very low102 Ų102129.1 Ų129.171%0.71372%0.715SS**G310 helixtrans-72.7-16.5180-48.80000114.1F415S413-F415 VanDerWaalsContact C-N 3.3Å; S413-F415 PolarHBondContact O-N 3.4Å
414S42.9Very low44.5Very low84 Ų84128.8 Ų128.859%0.58771%0.714SS**G310 helixtrans-77.7-8.3-17853.10000114.4F411 L412 S416F411-S414 PolarHBondContact O-OG 3.22Å; F411-S414 VanDerWaalsContact O-OG 3.12Å; L412-S414 VanDerWaalsContact C-N 3.27Å; L412-S414 PolarHBondContact O-N 2.85Å; S414-S416 PolarHBondContact O-N 2.9Å
415F42.2Very low44.6Very low183 Ų183132.7 Ų132.780%0.80372%0.721SS**G310 helixtrans-83.421.2178.5-84.7-82.8000114.9S413 P417S413-F415 VanDerWaalsContact C-N 3.3Å; S413-F415 PolarHBondContact O-N 3.4Å; F415-P417 VanDerWaalsContact O-CD 3.28Å; F415-P417 WeakPolarHBondContact O-CD 3.41Å
416S39.3Very low44.4Very low58 Ų58132.5 Ų132.541%0.40672%0.719SS.*  trans-92.5104.9168.6-176.90000110.9S414 F418S414-S416 PolarHBondContact O-N 2.9Å; S416-F418 PolarHBondContact O-N 3.25Å
417P49.1Very low44.6Very low112 Ų112134.7 Ų134.773%0.72772%0.721SS**THydrogen-bonded Turntrans-73.55.9-175.130.9-36.3000114.6F415F415-P417 VanDerWaalsContact O-CD 3.28Å; F415-P417 WeakPolarHBondContact O-CD 3.41Å
418F55.6Low44.4Very low144 Ų144133.8 Ų133.863%0.63272%0.718SS**THydrogen-bonded Turntrans-111.8-1.8-174.7-79.4-80.3000115.2S416 L450S416-F418 PolarHBondContact O-N 3.25Å; F418-L450 HydrophobicContact CE2-CD2 4.09Å; F418-L450 HydrophobicContact CZ-CD2 3.8Å
419N43.2Very low44.1Very low142 Ų142133.2 Ų133.276%0.75973%0.73SS**  trans-106.39.4-179.1-88.4-23.7000114.9
420Q43.5Very low43.9Very low178 Ų178131.4 Ų131.483%0.83273%0.729SS**SBendtrans-89.7118.6165.7-72.2-166.92.100110.3F422Q420-F422 PolarHBondContact O-N 3.1Å
421S39.3Very low43.8Very low95 Ų95133.4 Ų133.466%0.66474%0.739SS**  trans-49.5130.4-174.9-49.20000113.7I423S421-I423 PolarHBondContact O-N 3.36Å
422F44.1Very low43.5Very low199 Ų199133.9 Ų133.987%0.87374%0.743SS**SBendtrans-70.736.9164.8-77.6-86.8000112.5Q420Q420-F422 PolarHBondContact O-N 3.1Å
423I46.5Very low43.7Very low131 Ų131131 Ų13167%0.67274%0.735SS**  trans-129.183.1-168.8-50.9175.8000108.5S421S421-I423 PolarHBondContact O-N 3.36Å
424N35.9Very low44.1Very low153 Ų153134.5 Ų134.582%0.81874%0.738SS**  trans166.159.1144.7-84.5-14.6000111.8
425F46.6Very low44.2Very low209 Ų209138.5 Ų138.592%0.91774%0.741SS**  trans-96.5104.4148.6-108.8-86.5000107.6L427F425-L427 PolarHBondContact O-N 3.5Å; F425-L427 VanDerWaalsContact O-N 3.1Å
426G33.8Very low44.9Very low77 Ų77134.5 Ų134.579%0.79473%0.732SS**  trans-69104.8-175.200000112.1
427L46.3Very low45.8Very low153 Ų153135.8 Ų135.880%0.80174%0.737SS**  trans-128.2140.1165.2-70.3175.2000108.7F425F425-L427 PolarHBondContact O-N 3.5Å; F425-L427 VanDerWaalsContact O-N 3.1Å
428P42.6Very low46.6Very low120 Ų120137.1 Ų137.178%0.77973%0.732SS**  trans-67.7137.3-173.626.9-34.4000112.3T430P428-T430 PolarHBondContact O-N 3.38Å; P428-T430 VanDerWaalsContact O-N 3.14Å
429S36.1Very low47.6Very low121 Ų121132.9 Ų132.985%0.84672%0.72SS**  trans-85.779.1-168.956.40000113.7
430T44.3Very low49.4Very low122 Ų122134.4 Ų134.475%0.74872%0.716SS**  trans-148.780.4167.351.90000113P428P428-T430 PolarHBondContact O-N 3.38Å; P428-T430 VanDerWaalsContact O-N 3.14Å
431T46.9Very low51.2Low110 Ų110129.6 Ų129.668%0.67570%0.695SS**  trans-179.8110147.716.10000109.4
432E43.5Very low53.5Low178 Ų178128.7 Ų128.783%0.83268%0.682SS**  trans-88.2174.5-169.6-59.1-172.513800113.7F434E432-F434 PolarHBondContact O-N 3.42Å
433S52.5Low55.4Low80 Ų80124.7 Ų124.756%0.55967%0.666SS**SBendtrans70.1-50175.275.60000119T436S433-T436 PolarHBondContact O-OG1 3.03Å
434F51Low57.4Low176 Ų176124.2 Ų124.277%0.77266%0.659SS**Hα-helixtrans-73.3-35.1-170-74.8-76.5000114.4E432 T436E432-F434 PolarHBondContact O-N 3.42Å; F434-T436 VanDerWaalsContact C-N 3.34Å; F434-T436 PolarHBondContact O-N 3.13Å
435Y45.9Very low60Low168 Ų168121.5 Ų121.566%0.65964%0.642SS**Hα-helixtrans-69.8-26.1-176.9-71-76.2000114.1S439Y435-S439 WeakPolarHBondContact O-CB 3.25Å; Y435-S439 PolarHBondContact O-N 2.75Å
436T55.9Low62.1Low98 Ų98116.1 Ų116.160%0.60162%0.622SS**Hα-helixtrans-73.8-39.4-177.555.80000112.2S433 F434 S439 R440S433-T436 PolarHBondContact O-OG1 3.03Å; F434-T436 VanDerWaalsContact C-N 3.34Å; F434-T436 PolarHBondContact O-N 3.13Å; T436-S439 PolarHBondContact O-N 2.93Å; T436-R440 WeakPolarHBondContact O-CB 3.33Å; T436-R440 PolarHBondContact O-N 2.82Å
437T58.6Low64.9Low85 Ų85120.3 Ų120.352%0.52162%0.615SS.*Hα-helixtrans-64.3-47.9175.1-52.90000111.1S439 R440 D441T437-S439 VanDerWaalsContact C-N 3.32Å; T437-S439 PolarHBondContact O-N 3.01Å; T437-R440 WeakPolarHBondContact O-CB 3.4Å; T437-R440 PolarHBondContact O-N 2.94Å; T437-D441 PolarHBondContact O-N 3.23Å
438F66.5Low67.1Low140 Ų140118 Ų11861%0.61460%0.603SS**Hα-helixtrans-60.4-40.9178.1-172.5-113.3000112.3R440 D441 I442F438-R440 PolarHBondContact O-N 2.96Å; F438-D441 PolarHBondContact O-N 3.19Å; F438-I442 HydrophobicContact CD1-CD1 3.81Å; F438-I442 HydrophobicContact CE1-CD1 3.47Å; F438-I442 VanDerWaalsContact CE1-CD1 3.47Å; F438-I442 HydrophobicContact CE2-CD1 4.3Å; F438-I442 HydrophobicContact CG-CD1 4.37Å; F438-I442 HydrophobicContact CZ-CD1 3.74Å; F438-I442 WeakPolarHBondContact O-CG1 3.49Å; F438-I442 PolarHBondContact O-N 2.81Å; F438-I442 VanDerWaalsContact O-N 3.12Å
439S76.9Confident69.5Low56 Ų56116.8 Ų116.839%0.39259%0.587SS.*Hα-helixtrans-60.3-43.4172.6-174.10000112.2Y435 T436 T437 D441 I442 Q443Y435-S439 WeakPolarHBondContact O-CB 3.25Å; Y435-S439 PolarHBondContact O-N 2.75Å; T436-S439 PolarHBondContact O-N 2.93Å; T437-S439 VanDerWaalsContact C-N 3.32Å; T437-S439 PolarHBondContact O-N 3.01Å; S439-D441 PolarHBondContact O-N 2.89Å; S439-I442 PolarHBondContact O-N 3.46Å; S439-Q443 VanDerWaalsContact O-CG 3.31Å; S439-Q443 WeakPolarHBondContact O-CG 3.43Å; S439-Q443 PolarHBondContact O-N 3.46Å
440R80.2Confident72.2Confident174 Ų174114.7 Ų114.766%0.65757%0.566SS**Hα-helixtrans-66.1-37.5-179.2-160.8178.5-162179.57.1113T436 T437 F438 Q443 K444T436-R440 WeakPolarHBondContact O-CB 3.33Å; T436-R440 PolarHBondContact O-N 2.82Å; T437-R440 WeakPolarHBondContact O-CB 3.4Å; T437-R440 PolarHBondContact O-N 2.94Å; F438-R440 PolarHBondContact O-N 2.96Å; R440-Q443 PolarHBondContact O-N 3.44Å; R440-K444 WeakPolarHBondContact O-CG 3.15Å; R440-K444 PolarHBondContact O-N 3.43Å; R440-K444 VanDerWaalsContact O-N 3.07Å
441D83.1Confident74.7Confident76 Ų76114.9 Ų114.941%0.40656%0.556SS.*Hα-helixtrans-75.8-34.7178.9-67.7-33.2000112.1T437 F438 S439 Q443 K444 E445T437-D441 PolarHBondContact O-N 3.23Å; F438-D441 PolarHBondContact O-N 3.19Å; S439-D441 PolarHBondContact O-N 2.89Å; D441-Q443 VanDerWaalsContact C-N 3.33Å; D441-Q443 PolarHBondContact O-N 2.86Å; D441-K444 PolarHBondContact O-N 2.94Å; D441-K444 WeakPolarHBondContact OD1-CE 3.45Å; D441-K444 IonicContact OD1-NZ 2.68Å; D441-K444 PolarHBondContact OD1-NZ 2.88Å; D441-E445 PolarHBondContact O-N 3.33Å
442I87.1Confident76.9Confident77 Ų77115.3 Ų115.340%0.39555%0.551SS.*Hα-helixtrans-61.6-41167.7-70.8170.4000111.2F438 S439 E445 L446F438-I442 HydrophobicContact CD1-CD1 3.81Å; F438-I442 HydrophobicContact CE1-CD1 3.47Å; F438-I442 VanDerWaalsContact CE1-CD1 3.47Å; F438-I442 HydrophobicContact CE2-CD1 4.3Å; F438-I442 HydrophobicContact CG-CD1 4.37Å; F438-I442 HydrophobicContact CZ-CD1 3.74Å; F438-I442 WeakPolarHBondContact O-CG1 3.49Å; F438-I442 PolarHBondContact O-N 2.81Å; F438-I442 VanDerWaalsContact O-N 3.12Å; S439-I442 PolarHBondContact O-N 3.46Å; I442-E445 PolarHBondContact O-N 3.41Å; I442-L446 HydrophobicContact CG2-CD1 3.85Å; I442-L446 HydrophobicContact CG2-CG 4.33Å; I442-L446 WeakPolarHBondContact O-CB 3.27Å; I442-L446 WeakPolarHBondContact O-CG 3.41Å; I442-L446 PolarHBondContact O-N 3.31Å
443Q83.4Confident79.3Confident115 Ų115111 Ų11154%0.53753%0.53SS..Hα-helixtrans-63.2-39.9176.1-75.3171-400112.6S439 R440 D441 Y447S439-Q443 VanDerWaalsContact O-CG 3.31Å; S439-Q443 WeakPolarHBondContact O-CG 3.43Å; S439-Q443 PolarHBondContact O-N 3.46Å; R440-Q443 PolarHBondContact O-N 3.44Å; D441-Q443 VanDerWaalsContact C-N 3.33Å; D441-Q443 PolarHBondContact O-N 2.86Å; Q443-Y447 WeakPolarHBondContact O-CB 3.38Å; Q443-Y447 PolarHBondContact O-N 3.43Å
444K89.3Confident81.3Confident120 Ų120112.6 Ų112.652%0.52253%0.529SS..Hα-helixtrans-61.7-46.2173.2-69.1170.1-168164.90111.7R440 D441 Y447 L448R440-K444 WeakPolarHBondContact O-CG 3.15Å; R440-K444 PolarHBondContact O-N 3.43Å; R440-K444 VanDerWaalsContact O-N 3.07Å; D441-K444 PolarHBondContact O-N 2.94Å; D441-K444 WeakPolarHBondContact OD1-CE 3.45Å; D441-K444 IonicContact OD1-NZ 2.68Å; D441-K444 PolarHBondContact OD1-NZ 2.88Å; K444-Y447 PolarHBondContact O-N 3.39Å; K444-L448 WeakPolarHBondContact O-CB 3.35Å; K444-L448 PolarHBondContact O-N 2.89Å
445E88.8Confident83.4Confident96 Ų96109.7 Ų109.745%0.44952%0.518SS..Hα-helixtrans-63.8-45.1-179.5-179.458.2-158.400111.3D441 I442 Y447 L448 Q449D441-E445 PolarHBondContact O-N 3.33Å; I442-E445 PolarHBondContact O-N 3.41Å; E445-Y447 VanDerWaalsContact C-N 3.33Å; E445-Y447 PolarHBondContact O-N 3.36Å; E445-L448 PolarHBondContact O-N 2.96Å; E445-Q449 WeakPolarHBondContact O-CB 3.5Å; E445-Q449 WeakPolarHBondContact O-CG 3.23Å; E445-Q449 PolarHBondContact O-N 3.25Å; E445-Q449 PolarHBondContact OE1-NE2 3.14Å
446L91.3Very high85.8Confident96 Ų96106.4 Ų106.450%0.50351%0.511SS..Hα-helixtrans-60-41.1174.1-73.3169.8000112.4I442 L450I442-L446 HydrophobicContact CG2-CD1 3.85Å; I442-L446 HydrophobicContact CG2-CG 4.33Å; I442-L446 WeakPolarHBondContact O-CB 3.27Å; I442-L446 WeakPolarHBondContact O-CG 3.41Å; I442-L446 PolarHBondContact O-N 3.31Å; L446-L450 VanDerWaalsContact O-CB 3.3Å; L446-L450 WeakPolarHBondContact O-CB 3.31Å; L446-L450 PolarHBondContact O-N 3.08Å
447Y92Very high87.8Confident166 Ų166108.5 Ų108.565%0.65151%0.508SS*.Hα-helixtrans-66.5-39.9175.8-179.7-98.8000112.4Q443 K444 E445 L450 K451Q443-Y447 WeakPolarHBondContact O-CB 3.38Å; Q443-Y447 PolarHBondContact O-N 3.43Å; K444-Y447 PolarHBondContact O-N 3.39Å; E445-Y447 VanDerWaalsContact C-N 3.33Å; E445-Y447 PolarHBondContact O-N 3.36Å; Y447-L450 PolarHBondContact O-N 3.15Å; Y447-K451 WeakPolarHBondContact O-CB 3.46Å; Y447-K451 PolarHBondContact O-N 3.42Å
448L93.7Very high89.3Confident103 Ų103108.9 Ų108.954%0.53951%0.505SS..Hα-helixtrans-66.6-43.7177.2-175.660.9000111.6K444 E445 K451 Q452K444-L448 WeakPolarHBondContact O-CB 3.35Å; K444-L448 PolarHBondContact O-N 2.89Å; E445-L448 PolarHBondContact O-N 2.96Å; L448-K451 PolarHBondContact O-N 3.12Å; L448-Q452 PolarHBondContact O-N 2.93Å
449Q92.5Very high90.6Very high95 Ų95105 Ų10544%0.44449%0.49SS..Hα-helixtrans-61.9-43.7173.6-71.5179.214.300111.6E445 K451 Q452 E453E445-Q449 WeakPolarHBondContact O-CB 3.5Å; E445-Q449 WeakPolarHBondContact O-CG 3.23Å; E445-Q449 PolarHBondContact O-N 3.25Å; E445-Q449 PolarHBondContact OE1-NE2 3.14Å; Q449-K451 VanDerWaalsContact C-N 3.35Å; Q449-K451 PolarHBondContact O-N 2.65Å; Q449-Q452 PolarHBondContact O-N 3.15Å; Q449-E453 WeakPolarHBondContact O-CB 3.37Å; Q449-E453 PolarHBondContact O-N 3.12Å
450L93.8Very high91.5Very high77 Ų77106.8 Ų106.840%0.40350%0.495SS..Hα-helixtrans-63.1-39.9176.7-175.666.3000112F418 L446 Y447 E453 H454F418-L450 HydrophobicContact CE2-CD2 4.09Å; F418-L450 HydrophobicContact CZ-CD2 3.8Å; L446-L450 VanDerWaalsContact O-CB 3.3Å; L446-L450 WeakPolarHBondContact O-CB 3.31Å; L446-L450 PolarHBondContact O-N 3.08Å; Y447-L450 PolarHBondContact O-N 3.15Å; L450-E453 PolarHBondContact O-N 3.28Å; L450-H454 WeakPolarHBondContact O-CB 3.46Å; L450-H454 PolarHBondContact O-N 2.81Å
451K95Very high92.2Very high126 Ų126103.2 Ų103.255%0.54849%0.488SS..Hα-helixtrans-62.3-47.8173.8-177.5-177.6174.6-1750111.3Y447 L448 Q449 E453 H454 E455Y447-K451 WeakPolarHBondContact O-CB 3.46Å; Y447-K451 PolarHBondContact O-N 3.42Å; L448-K451 PolarHBondContact O-N 3.12Å; Q449-K451 VanDerWaalsContact C-N 3.35Å; Q449-K451 PolarHBondContact O-N 2.65Å; K451-E453 VanDerWaalsContact C-N 3.32Å; K451-E453 PolarHBondContact O-N 2.94Å; K451-H454 PolarHBondContact O-N 2.73Å; K451-E455 WeakPolarHBondContact O-CB 3.24Å; K451-E455 PolarHBondContact O-N 2.68Å
452Q94.9Very high92.8Very high120 Ų120105.8 Ų105.856%0.56149%0.492SS*.Hα-helixtrans-62.8-38.9178-170.6-178.529.800111.8L448 Q449 E455 L456L448-Q452 PolarHBondContact O-N 2.93Å; Q449-Q452 PolarHBondContact O-N 3.15Å; Q452-E455 PolarHBondContact O-N 3.03Å; Q452-L456 HydrophobicContact CG-CD1 4.35Å; Q452-L456 VanDerWaalsContact O-CG 3.32Å; Q452-L456 WeakPolarHBondContact O-CG 3.39Å; Q452-L456 PolarHBondContact O-N 3Å
453E92.5Very high93.3Very high87 Ų87107 Ų10741%0.40750%0.499SS..Hα-helixtrans-67.1-40.5176.1-152.6-152.4154.300111.8Q449 L450 K451 L456 R457Q449-E453 WeakPolarHBondContact O-CB 3.37Å; Q449-E453 PolarHBondContact O-N 3.12Å; L450-E453 PolarHBondContact O-N 3.28Å; K451-E453 VanDerWaalsContact C-N 3.32Å; K451-E453 PolarHBondContact O-N 2.94Å; E453-L456 PolarHBondContact O-N 3.38Å; E453-R457 VanDerWaalsContact CD-NH2 3.31Å; E453-R457 WeakPolarHBondContact O-CB 3.31Å; E453-R457 WeakPolarHBondContact O-CG 3.46Å; E453-R457 PolarHBondContact O-N 3.32Å; E453-R457 IonicContact OE1-CZ 2.71Å; E453-R457 IonicContact OE1-NE 3.14Å; E453-R457 PolarHBondContact OE1-NE 3.47Å; E453-R457 IonicContact OE1-NH2 3.97Å; E453-R457 PolarHBondContact OE1-NH2 3.31Å; E453-R457 IonicContact OE2-CZ 3.29Å; E453-R457 IonicContact OE2-NE 2.75Å; E453-R457 IonicContact OE2-NH2 2.94Å; E453-R457 PolarHBondContact OE2-NH2 3.43Å
454H95.9Very high93.9Very high114 Ų114106.9 Ų106.953%0.52850%0.498SS..Hα-helixtrans-61.2-45.7174.217981.3000111.8L450 K451 L456 R457 M458L450-H454 WeakPolarHBondContact O-CB 3.46Å; L450-H454 PolarHBondContact O-N 2.81Å; K451-H454 PolarHBondContact O-N 2.73Å; H454-L456 PolarHBondContact O-N 2.83Å; H454-R457 PolarHBondContact O-N 2.84Å; H454-M458 VanDerWaalsContact O-CG 3.32Å; H454-M458 WeakPolarHBondContact O-CG 3.36Å; H454-M458 PolarHBondContact O-N 3.09Å
455E95.1Very high94.2Very high114 Ų114108 Ų10853%0.53350%0.503SS..Hα-helixtrans-58-48.8176.3-170.3170.7172.500111.5K451 Q452 R457 M458 D459K451-E455 WeakPolarHBondContact O-CB 3.24Å; K451-E455 PolarHBondContact O-N 2.68Å; Q452-E455 PolarHBondContact O-N 3.03Å; E455-R457 PolarHBondContact O-N 2.82Å; E455-M458 PolarHBondContact O-N 3.31Å; E455-D459 PolarHBondContact O-N 3.39Å
456L96.3Very high94.4Very high99 Ų99108.5 Ų108.552%0.51851%0.505SS..Hα-helixtrans-62.2-37.9175.4-71170.6000113.2Q452 E453 H454 D459 I460Q452-L456 HydrophobicContact CG-CD1 4.35Å; Q452-L456 VanDerWaalsContact O-CG 3.32Å; Q452-L456 WeakPolarHBondContact O-CG 3.39Å; Q452-L456 PolarHBondContact O-N 3Å; E453-L456 PolarHBondContact O-N 3.38Å; H454-L456 PolarHBondContact O-N 2.83Å; L456-D459 PolarHBondContact O-N 3.39Å; L456-I460 WeakPolarHBondContact O-CD1 3.44Å; L456-I460 VanDerWaalsContact O-CG1 3.27Å; L456-I460 WeakPolarHBondContact O-CG1 3.37Å; L456-I460 PolarHBondContact O-N 3.33Å
457R96.2Very high94.6Very high142 Ų142107.4 Ų107.454%0.53650%0.503SS..Hα-helixtrans-63.8-41.7174.4-74167.9178.3-151.911.2111.4E453 H454 E455 I460 L461E453-R457 VanDerWaalsContact CD-NH2 3.31Å; E453-R457 WeakPolarHBondContact O-CB 3.31Å; E453-R457 WeakPolarHBondContact O-CG 3.46Å; E453-R457 PolarHBondContact O-N 3.32Å; E453-R457 IonicContact OE1-CZ 2.71Å; E453-R457 IonicContact OE1-NE 3.14Å; E453-R457 PolarHBondContact OE1-NE 3.47Å; E453-R457 IonicContact OE1-NH2 3.97Å; E453-R457 PolarHBondContact OE1-NH2 3.31Å; E453-R457 IonicContact OE2-CZ 3.29Å; E453-R457 IonicContact OE2-NE 2.75Å; E453-R457 IonicContact OE2-NH2 2.94Å; E453-R457 PolarHBondContact OE2-NH2 3.43Å; H454-R457 PolarHBondContact O-N 2.84Å; E455-R457 PolarHBondContact O-N 2.82Å; R457-I460 PolarHBondContact O-N 2.91Å; R457-L461 WeakPolarHBondContact O-CG 3.17Å; R457-L461 PolarHBondContact O-N 3.14Å; R457-L461 VanDerWaalsContact O-N 3.08Å
458M90.6Very high94.7Very high94 Ų94106 Ų10646%0.46350%0.496SS..Hα-helixtrans-68.3-35.8177.5-67.4-64.4-82.800112.4H454 E455 L461 R462H454-M458 VanDerWaalsContact O-CG 3.32Å; H454-M458 WeakPolarHBondContact O-CG 3.36Å; H454-M458 PolarHBondContact O-N 3.09Å; E455-M458 PolarHBondContact O-N 3.31Å; M458-L461 PolarHBondContact O-N 2.79Å; M458-L461 HydrophobicContact SD-CD1 4.2Å; M458-R462 PolarHBondContact O-N 2.98Å
459D94.7Very high94.8Very high58 Ų58104.8 Ų104.831%0.3149%0.49SS..Hα-helixtrans-65.3-43.3172.9-82.710.9000112.5E455 L456 L461 R462 L463E455-D459 PolarHBondContact O-N 3.39Å; L456-D459 PolarHBondContact O-N 3.39Å; D459-L461 VanDerWaalsContact C-N 3.35Å; D459-L461 PolarHBondContact O-N 3.26Å; D459-R462 WeakPolarHBondContact O-CB 3.43Å; D459-R462 PolarHBondContact O-N 3.02Å; D459-R462 IonicContact OD1-CZ 2.71Å; D459-R462 IonicContact OD1-NH1 2.76Å; D459-R462 PolarHBondContact OD1-NH1 2.92Å; D459-R462 IonicContact OD1-NH2 2.72Å; D459-R462 PolarHBondContact OD1-NH2 2.89Å; D459-L463 WeakPolarHBondContact O-CG 3.45Å; D459-L463 PolarHBondContact O-N 2.87Å
460I95.5Very high95Very high94 Ų94106 Ų10648%0.48250%0.499SS..Hα-helixtrans-59.5-44.9174.3-71.2163.9000110.8L456 R457 R462 L463 Q464L456-I460 WeakPolarHBondContact O-CD1 3.44Å; L456-I460 VanDerWaalsContact O-CG1 3.27Å; L456-I460 WeakPolarHBondContact O-CG1 3.37Å; L456-I460 PolarHBondContact O-N 3.33Å; R457-I460 PolarHBondContact O-N 2.91Å; I460-R462 VanDerWaalsContact C-N 3.32Å; I460-R462 PolarHBondContact O-N 2.91Å; I460-L463 PolarHBondContact O-N 2.94Å; I460-Q464 HydrophobicContact CG2-CG 4.44Å; I460-Q464 WeakPolarHBondContact O-CB 3.32Å; I460-Q464 VanDerWaalsContact O-CG 3.3Å; I460-Q464 WeakPolarHBondContact O-CG 3.36Å; I460-Q464 PolarHBondContact O-N 3.15Å
461L94.8Very high95Very high98 Ų98107.9 Ų107.951%0.51351%0.506SS..Hα-helixtrans-62.5-37.9176-71.4168.3000112.2R457 M458 D459 Q464 K465R457-L461 WeakPolarHBondContact O-CG 3.17Å; R457-L461 PolarHBondContact O-N 3.14Å; R457-L461 VanDerWaalsContact O-N 3.08Å; M458-L461 PolarHBondContact O-N 2.79Å; M458-L461 HydrophobicContact SD-CD1 4.2Å; D459-L461 VanDerWaalsContact C-N 3.35Å; D459-L461 PolarHBondContact O-N 3.26Å; L461-Q464 PolarHBondContact O-N 3.42Å; L461-K465 WeakPolarHBondContact O-CB 3.45Å; L461-K465 PolarHBondContact O-N 3.4Å
462R96Very high94.9Very high131 Ų131105.2 Ų105.249%0.49450%0.496SS..Hα-helixtrans-65.8-43.6176.4-157.4-174.8-49.81059.3111.7M458 D459 I460 K465 Q466M458-R462 PolarHBondContact O-N 2.98Å; D459-R462 WeakPolarHBondContact O-CB 3.43Å; D459-R462 PolarHBondContact O-N 3.02Å; D459-R462 IonicContact OD1-CZ 2.71Å; D459-R462 IonicContact OD1-NH1 2.76Å; D459-R462 PolarHBondContact OD1-NH1 2.92Å; D459-R462 IonicContact OD1-NH2 2.72Å; D459-R462 PolarHBondContact OD1-NH2 2.89Å; I460-R462 VanDerWaalsContact C-N 3.32Å; I460-R462 PolarHBondContact O-N 2.91Å; R462-K465 PolarHBondContact O-N 3.04Å; R462-Q466 WeakPolarHBondContact O-CG 3.35Å; R462-Q466 PolarHBondContact O-N 3.03Å
463L96.3Very high94.9Very high101 Ų101104 Ų10453%0.52949%0.493SS..Hα-helixtrans-64.3-44.7175.4-72.9167.8000111.6D459 I460 K465 Q466 T467D459-L463 WeakPolarHBondContact O-CG 3.45Å; D459-L463 PolarHBondContact O-N 2.87Å; I460-L463 PolarHBondContact O-N 2.94Å; L463-K465 VanDerWaalsContact C-N 3.34Å; L463-K465 PolarHBondContact O-N 3.26Å; L463-Q466 PolarHBondContact O-N 2.89Å; L463-Q466 VanDerWaalsContact O-N 3.16Å; L463-T467 PolarHBondContact O-N 2.91Å; L463-T467 PolarHBondContact O-OG1 3.07Å
464Q95.8Very high94.9Very high113 Ų113105.7 Ų105.753%0.52850%0.504SS..Hα-helixtrans-58.3-44.1174.9-75173.5-12.300111.9I460 L461 Q466 T467 W468I460-Q464 HydrophobicContact CG2-CG 4.44Å; I460-Q464 WeakPolarHBondContact O-CB 3.32Å; I460-Q464 VanDerWaalsContact O-CG 3.3Å; I460-Q464 WeakPolarHBondContact O-CG 3.36Å; I460-Q464 PolarHBondContact O-N 3.15Å; L461-Q464 PolarHBondContact O-N 3.42Å; Q464-Q466 PolarHBondContact O-N 3.15Å; Q464-T467 PolarHBondContact O-N 3.35Å; Q464-W468 WeakPolarHBondContact O-CB 3.4Å; Q464-W468 PolarHBondContact O-N 2.9Å
465K96Very high94.8Very high145 Ų145105.8 Ų105.863%0.6350%0.504SS*.Hα-helixtrans-60.4-42.6174.7-176.6176.7180176.90112.2L461 R462 L463 L469L461-K465 WeakPolarHBondContact O-CB 3.45Å; L461-K465 PolarHBondContact O-N 3.4Å; R462-K465 PolarHBondContact O-N 3.04Å; L463-K465 VanDerWaalsContact C-N 3.34Å; L463-K465 PolarHBondContact O-N 3.26Å; K465-L469 HydrophobicContact CG-CD1 4.38Å; K465-L469 VanDerWaalsContact O-CG 3.32Å; K465-L469 WeakPolarHBondContact O-CG 3.33Å; K465-L469 PolarHBondContact O-N 2.92Å; K465-L469 VanDerWaalsContact O-N 3.07Å
466Q94.3Very high94.7Very high106 Ų106106.8 Ų106.850%0.49551%0.506SS..Hα-helixtrans-64.9-44.7175.4-73.9175.2-2600112.1R462 L463 Q464 W468 L469 L470R462-Q466 WeakPolarHBondContact O-CG 3.35Å; R462-Q466 PolarHBondContact O-N 3.03Å; L463-Q466 PolarHBondContact O-N 2.89Å; L463-Q466 VanDerWaalsContact O-N 3.16Å; Q464-Q466 PolarHBondContact O-N 3.15Å; Q466-W468 VanDerWaalsContact C-N 3.35Å; Q466-W468 PolarHBondContact O-N 3.28Å; Q466-L469 PolarHBondContact O-N 3.07Å; Q466-L470 WeakPolarHBondContact O-CG 3.42Å; Q466-L470 PolarHBondContact O-N 3Å
467T93.8Very high94.5Very high72 Ų72108.6 Ų108.644%0.44251%0.51SS..Hα-helixtrans-60-43.2176.4-55.20000111.8L463 Q464 L470 Q471L463-T467 PolarHBondContact O-N 2.91Å; L463-T467 PolarHBondContact O-OG1 3.07Å; Q464-T467 PolarHBondContact O-N 3.35Å; T467-L470 PolarHBondContact O-N 2.96Å; T467-Q471 WeakPolarHBondContact O-CG 3.43Å; T467-Q471 PolarHBondContact O-N 3.4Å
468W95.6Very high94.1Very high136 Ų136106.6 Ų106.652%0.51551%0.508SS..Hα-helixtrans-64.3-41.5176.6-179.283.8000112.5Q464 Q466 L470 Q471 M472Q464-W468 WeakPolarHBondContact O-CB 3.4Å; Q464-W468 PolarHBondContact O-N 2.9Å; Q466-W468 VanDerWaalsContact C-N 3.35Å; Q466-W468 PolarHBondContact O-N 3.28Å; W468-L470 PolarHBondContact O-N 2.83Å; W468-Q471 PolarHBondContact O-N 2.64Å; W468-M472 HydrophobicContact CD2-CG 4.13Å; W468-M472 HydrophobicContact CE3-CG 4.39Å; W468-M472 HydrophobicContact CH2-CG 4.16Å; W468-M472 HydrophobicContact CZ2-CG 3.87Å; W468-M472 HydrophobicContact CZ2-SD 4.31Å; W468-M472 HydrophobicContact CZ3-CG 4.41Å; W468-M472 WeakPolarHBondContact O-CB 3.49Å; W468-M472 WeakPolarHBondContact O-CG 3.48Å; W468-M472 PolarHBondContact O-N 3.25Å
469L95.9Very high94.1Very high78 Ų78107.9 Ų107.941%0.40851%0.511SS..Hα-helixtrans-62.8-40.4174.1-73.1169.2000112.2K465 Q466 M472 N473K465-L469 HydrophobicContact CG-CD1 4.38Å; K465-L469 VanDerWaalsContact O-CG 3.32Å; K465-L469 WeakPolarHBondContact O-CG 3.33Å; K465-L469 PolarHBondContact O-N 2.92Å; K465-L469 VanDerWaalsContact O-N 3.07Å; Q466-L469 PolarHBondContact O-N 3.07Å; L469-M472 PolarHBondContact O-N 2.71Å; L469-N473 WeakPolarHBondContact O-CB 3.34Å; L469-N473 VanDerWaalsContact O-CG 3.27Å; L469-N473 PolarHBondContact O-N 3.15Å; L469-N473 PolarHBondContact O-ND2 3.25Å
470L95.9Very high93.7Very high122 Ų122107.6 Ų107.664%0.63952%0.517SS*.Hα-helixtrans-62.8-45.2174.5-76.1161.3000111.7Q466 T467 W468 N473 L474Q466-L470 WeakPolarHBondContact O-CG 3.42Å; Q466-L470 PolarHBondContact O-N 3Å; T467-L470 PolarHBondContact O-N 2.96Å; W468-L470 PolarHBondContact O-N 2.83Å; L470-N473 PolarHBondContact O-N 3.35Å; L470-L474 WeakPolarHBondContact O-CB 3.46Å; L470-L474 PolarHBondContact O-N 3.37Å
471Q94.3Very high93.1Very high115 Ų115108.8 Ų108.854%0.53752%0.52SS..Hα-helixtrans-61.3-44.2175-73.1172.3-16.400112T467 W468 N473 L474 F475T467-Q471 WeakPolarHBondContact O-CG 3.43Å; T467-Q471 PolarHBondContact O-N 3.4Å; W468-Q471 PolarHBondContact O-N 2.64Å; Q471-N473 PolarHBondContact O-N 3.36Å; Q471-L474 PolarHBondContact O-N 3.22Å; Q471-F475 WeakPolarHBondContact O-CB 3.11Å; Q471-F475 PolarHBondContact O-N 3.05Å
472M92.8Very high92.6Very high70 Ų70109.8 Ų109.835%0.34552%0.522SS..Hα-helixtrans-63.2-39.2175.8-77.3-67.2105.400112.7W468 L469 K476W468-M472 HydrophobicContact CD2-CG 4.13Å; W468-M472 HydrophobicContact CE3-CG 4.39Å; W468-M472 HydrophobicContact CH2-CG 4.16Å; W468-M472 HydrophobicContact CZ2-CG 3.87Å; W468-M472 HydrophobicContact CZ2-SD 4.31Å; W468-M472 HydrophobicContact CZ3-CG 4.41Å; W468-M472 WeakPolarHBondContact O-CB 3.49Å; W468-M472 WeakPolarHBondContact O-CG 3.48Å; W468-M472 PolarHBondContact O-N 3.25Å; L469-M472 PolarHBondContact O-N 2.71Å; M472-K476 WeakPolarHBondContact O-CB 3.34Å; M472-K476 VanDerWaalsContact O-CG 3.27Å; M472-K476 WeakPolarHBondContact O-CG 3.43Å; M472-K476 PolarHBondContact O-N 3.36Å
473N94.1Very high91.7Very high94 Ų94107.4 Ų107.450%0.50352%0.518SS..Hα-helixtrans-70-38.4176.6-72.7-18000112.1L469 L470 Q471 K476 K477L469-N473 WeakPolarHBondContact O-CB 3.34Å; L469-N473 VanDerWaalsContact O-CG 3.27Å; L469-N473 PolarHBondContact O-N 3.15Å; L469-N473 PolarHBondContact O-ND2 3.25Å; L470-N473 PolarHBondContact O-N 3.35Å; Q471-N473 PolarHBondContact O-N 3.36Å; N473-K476 PolarHBondContact O-N 3.05Å; N473-K477 PolarHBondContact O-N 3.4Å
474L93.2Very high90.9Very high123 Ų123105.8 Ų105.864%0.64452%0.515SS*.Hα-helixtrans-63.4-44.3173.3-177.262.3000111.6L470 Q471 K477 M478L470-L474 WeakPolarHBondContact O-CB 3.46Å; L470-L474 PolarHBondContact O-N 3.37Å; Q471-L474 PolarHBondContact O-N 3.22Å; L474-K477 PolarHBondContact O-N 3.49Å; L474-M478 WeakPolarHBondContact O-CB 2.94Å; L474-M478 PolarHBondContact O-N 3.31Å
475F93Very high90Very high117 Ų117103.8 Ų103.851%0.51351%0.514SS..Hα-helixtrans-63.1-42.2176.1-176.3-100.6000112.3Q471 M478 K479Q471-F475 WeakPolarHBondContact O-CB 3.11Å; Q471-F475 PolarHBondContact O-N 3.05Å; F475-M478 HydrophobicContact CD2-CE 3.92Å; F475-M478 HydrophobicContact CE2-CE 4.11Å; F475-M478 PolarHBondContact O-N 3.09Å; F475-K479 WeakPolarHBondContact O-CB 3.25Å; F475-K479 PolarHBondContact O-N 3.1Å
476K93.2Very high88.9Confident135 Ų135103.2 Ų103.259%0.58752%0.517SS*.Hα-helixtrans-59.7-45.1172.4-76.1171.5-178177.40111.9M472 N473 K479 A480M472-K476 WeakPolarHBondContact O-CB 3.34Å; M472-K476 VanDerWaalsContact O-CG 3.27Å; M472-K476 WeakPolarHBondContact O-CG 3.43Å; M472-K476 PolarHBondContact O-N 3.36Å; N473-K476 PolarHBondContact O-N 3.05Å; K476-K479 PolarHBondContact O-N 3.32Å; K476-A480 WeakPolarHBondContact O-CB 3.14Å; K476-A480 PolarHBondContact O-N 2.71Å
477K91.7Very high87.6Confident137 Ų137106.5 Ų106.560%0.59653%0.53SS*.Hα-helixtrans-61-50.4176.6-173.3-175.3173.5-172.20111.1N473 L474 K479 A480 E481N473-K477 PolarHBondContact O-N 3.4Å; L474-K477 PolarHBondContact O-N 3.49Å; K477-K479 VanDerWaalsContact C-N 3.3Å; K477-K479 PolarHBondContact O-N 2.8Å; K477-A480 WeakPolarHBondContact O-CB 3.37Å; K477-A480 PolarHBondContact O-N 3.48Å; K477-A480 VanDerWaalsContact O-N 3.12Å; K477-E481 WeakPolarHBondContact O-CB 3.35Å; K477-E481 PolarHBondContact O-N 2.81Å
478M88.9Confident85.9Confident99 Ų99107.5 Ų107.549%0.48854%0.54SS..Hα-helixtrans-59-39.4178.8-173.9-176.472.400112.3L474 F475 E481 Q482L474-M478 WeakPolarHBondContact O-CB 2.94Å; L474-M478 PolarHBondContact O-N 3.31Å; F475-M478 HydrophobicContact CD2-CE 3.92Å; F475-M478 HydrophobicContact CE2-CE 4.11Å; F475-M478 PolarHBondContact O-N 3.09Å; M478-E481 PolarHBondContact O-N 3.23Å; M478-Q482 PolarHBondContact O-N 3.18Å
479K89.4Confident83.7Confident122 Ų122105 Ų10553%0.5354%0.543SS..Hα-helixtrans-67.6-41.8174.8-173.3175.4-179.8179.70112.1F475 K476 K477 E481 Q482 I483F475-K479 WeakPolarHBondContact O-CB 3.25Å; F475-K479 PolarHBondContact O-N 3.1Å; K476-K479 PolarHBondContact O-N 3.32Å; K477-K479 VanDerWaalsContact C-N 3.3Å; K477-K479 PolarHBondContact O-N 2.8Å; K479-E481 VanDerWaalsContact C-N 3.31Å; K479-E481 PolarHBondContact O-N 3.27Å; K479-Q482 PolarHBondContact O-N 3.46Å; K479-I483 HydrophobicContact CG-CD1 4.14Å; K479-I483 WeakPolarHBondContact O-CD1 3.28Å; K479-I483 VanDerWaalsContact O-CG1 3.29Å; K479-I483 WeakPolarHBondContact O-CG1 3.37Å; K479-I483 PolarHBondContact O-N 2.9Å
480A87Confident81.8Confident52 Ų52107.2 Ų107.243%0.4356%0.562SS.*Hα-helixtrans-62.6-39.3174.200000111.5K476 K477 I483 S484K476-A480 WeakPolarHBondContact O-CB 3.14Å; K476-A480 PolarHBondContact O-N 2.71Å; K477-A480 WeakPolarHBondContact O-CB 3.37Å; K477-A480 PolarHBondContact O-N 3.48Å; K477-A480 VanDerWaalsContact O-N 3.12Å; A480-I483 PolarHBondContact O-N 3.07Å; A480-S484 WeakPolarHBondContact O-CB 3.44Å; A480-S484 PolarHBondContact O-N 2.94Å; A480-S484 PolarHBondContact O-OG 3.44Å; A480-S484 VanDerWaalsContact O-OG 3.07Å
481E83.9Confident79.5Confident118 Ų118106.9 Ų106.955%0.55157%0.57SS**Hα-helixtrans-69.4-37.6178.9-163.5168.9156.700112.6K477 M478 K479 S484 S485K477-E481 WeakPolarHBondContact O-CB 3.35Å; K477-E481 PolarHBondContact O-N 2.81Å; M478-E481 PolarHBondContact O-N 3.23Å; K479-E481 VanDerWaalsContact C-N 3.31Å; K479-E481 PolarHBondContact O-N 3.27Å; E481-S484 PolarHBondContact O-N 2.86Å; E481-S485 WeakPolarHBondContact O-CB 3.36Å; E481-S485 PolarHBondContact O-N 3.22Å; E481-S485 PolarHBondContact O-OG 2.93Å
482Q82.8Confident77.4Confident119 Ų119108.9 Ų108.956%0.55658%0.584SS**Hα-helixtrans-61.6-43.3167.9-79.1-171.3-2.100112.2M478 K479 S485 L486M478-Q482 PolarHBondContact O-N 3.18Å; K479-Q482 PolarHBondContact O-N 3.46Å; Q482-S485 WeakPolarHBondContact CA-OG 3.4Å; Q482-S485 PolarHBondContact O-N 2.7Å; Q482-S485 PolarHBondContact O-OG 2.72Å; Q482-L486 WeakPolarHBondContact O-CG 3.33Å; Q482-L486 PolarHBondContact O-N 2.8Å; Q482-L486 VanDerWaalsContact O-N 3.13Å
483I78.3Confident75.2Confident81 Ų81114.3 Ų114.342%0.41561%0.61SS.*Hα-helixtrans-64.7-45.4176.9-68165.1000110.2K479 A480 S485 L486 F487K479-I483 HydrophobicContact CG-CD1 4.14Å; K479-I483 WeakPolarHBondContact O-CD1 3.28Å; K479-I483 VanDerWaalsContact O-CG1 3.29Å; K479-I483 WeakPolarHBondContact O-CG1 3.37Å; K479-I483 PolarHBondContact O-N 2.9Å; A480-I483 PolarHBondContact O-N 3.07Å; I483-S485 PolarHBondContact O-N 2.76Å; I483-L486 PolarHBondContact O-N 2.76Å; I483-F487 HydrophobicContact CG2-CD2 3.88Å; I483-F487 HydrophobicContact CG2-CE2 3.94Å; I483-F487 VanDerWaalsContact O-CD2 3.28Å; I483-F487 WeakPolarHBondContact O-CD2 3.43Å; I483-F487 PolarHBondContact O-N 2.64Å; I483-F487 VanDerWaalsContact O-N 3.15Å
484S78.1Confident73.1Confident67 Ų67117.7 Ų117.747%0.46963%0.625SS.*Hα-helixtrans-62.3-37.8177.8-65.90000112.8A480 E481 F487 S488A480-S484 WeakPolarHBondContact O-CB 3.44Å; A480-S484 PolarHBondContact O-N 2.94Å; A480-S484 PolarHBondContact O-OG 3.44Å; A480-S484 VanDerWaalsContact O-OG 3.07Å; E481-S484 PolarHBondContact O-N 2.86Å; S484-F487 PolarHBondContact O-N 3.13Å; S484-S488 WeakPolarHBondContact O-CB 3.22Å; S484-S488 PolarHBondContact O-N 3.43Å; S484-S488 PolarHBondContact O-OG 3.29Å
485S77.4Confident70.8Confident71 Ų71118.6 Ų118.650%0.49763%0.631SS.*Hα-helixtrans-72.8-33177.750.30000113.1E481 Q482 I483 F487 S488E481-S485 WeakPolarHBondContact O-CB 3.36Å; E481-S485 PolarHBondContact O-N 3.22Å; E481-S485 PolarHBondContact O-OG 2.93Å; Q482-S485 WeakPolarHBondContact CA-OG 3.4Å; Q482-S485 PolarHBondContact O-N 2.7Å; Q482-S485 PolarHBondContact O-OG 2.72Å; I483-S485 PolarHBondContact O-N 2.76Å; S485-F487 VanDerWaalsContact C-N 3.34Å; S485-S488 PolarHBondContact O-N 3.33Å
486L72.6Confident68.5Low133 Ų133119.1 Ų119.170%0.69664%0.644SS**Hα-helixtrans-62.6-39170.5-71.7167.8000112.3Q482 I483Q482-L486 WeakPolarHBondContact O-CG 3.33Å; Q482-L486 PolarHBondContact O-N 2.8Å; Q482-L486 VanDerWaalsContact O-N 3.13Å; I483-L486 PolarHBondContact O-N 2.76Å
487F67.5Low66.5Low175 Ų175117.6 Ų117.677%0.76865%0.646SS**Hα-helixtrans-88.3-17.1178-71.6-66.7000114.9I483 S484 S485 S489I483-F487 HydrophobicContact CG2-CD2 3.88Å; I483-F487 HydrophobicContact CG2-CE2 3.94Å; I483-F487 VanDerWaalsContact O-CD2 3.28Å; I483-F487 WeakPolarHBondContact O-CD2 3.43Å; I483-F487 PolarHBondContact O-N 2.64Å; I483-F487 VanDerWaalsContact O-N 3.15Å; S484-F487 PolarHBondContact O-N 3.13Å; S485-F487 VanDerWaalsContact C-N 3.34Å; F487-S489 VanDerWaalsContact C-N 3.3Å
488S58.4Low64.1Low93 Ų93115.6 Ų115.665%0.6565%0.649SS**  trans-88.27.4177.1-54.90000113.6S484 S485S484-S488 WeakPolarHBondContact O-CB 3.22Å; S484-S488 PolarHBondContact O-N 3.43Å; S484-S488 PolarHBondContact O-OG 3.29Å; S485-S488 PolarHBondContact O-N 3.33Å
489S49.2Very low62Low83 Ų83117.8 Ų117.858%0.5867%0.668SS**SBendtrans-66.3123.6170.4-690000109.2F487 S491F487-S489 VanDerWaalsContact C-N 3.3Å; S489-S491 PolarHBondContact O-N 3.38Å
490P55.2Low60.1Low125 Ų125117.9 Ų117.981%0.81268%0.679SS**  trans-66.5109-175.526.1-33.6000110L492P490-L492 PolarHBondContact O-N 2.99Å
491S49.4Very low58.3Low115 Ų115120.9 Ų120.980%0.80469%0.694SS**  trans-58.4134.6175.1-168.40000109.7S489 M493S489-S491 PolarHBondContact O-N 3.38Å; S491-M493 PolarHBondContact O-N 3.17Å; S491-M493 VanDerWaalsContact O-N 3.12Å
492L48.7Very low56.4Low157 Ų157122.8 Ų122.882%0.82271%0.707SS**  trans-55.6117.3-171-66.7164.9000110.6P490 M494P490-L492 PolarHBondContact O-N 2.99Å; L492-M494 PolarHBondContact O-N 3.25Å
493M47.8Very low54.6Low184 Ų184123.2 Ų123.291%0.90672%0.718SS**  trans-63.9102.2168.8-77.2-174.668.100108.7S491 N495S491-M493 PolarHBondContact O-N 3.17Å; S491-M493 VanDerWaalsContact O-N 3.12Å; M493-N495 PolarHBondContact O-N 3.44Å
494M50.5Low52.8Low166 Ų166125.3 Ų125.382%0.81874%0.735SS**  trans-55.3102.1171.1-75.5-78.7-153.400109.2L492 T496L492-M494 PolarHBondContact O-N 3.25Å; M494-T496 HydrophobicContact CB-CG2 4.17Å; M494-T496 PolarHBondContact O-N 2.99Å
495N43Very low51.3Low141 Ų141128 Ų12875%0.75475%0.749SS**  trans-78.372.9178.3-171.119.8000110.3M493 T497M493-N495 PolarHBondContact O-N 3.44Å; N495-T497 PolarHBondContact O-N 3.08Å; N495-T497 PolarHBondContact OD1-OG1 3.48Å
496T46.3Very low49.6Very low129 Ų129130.4 Ų130.479%0.79176%0.76SS**  trans-75.564-178.854.40000111.9M494M494-T496 HydrophobicContact CB-CG2 4.17Å; M494-T496 PolarHBondContact O-N 2.99Å
497T49.9Very low48.2Very low103 Ų103129.6 Ų129.663%0.63276%0.761SS**  trans-100100.8176.9-59.90000110.2N495N495-T497 PolarHBondContact O-N 3.08Å; N495-T497 PolarHBondContact OD1-OG1 3.48Å
498S42.8Very low47.2Very low95 Ų95127.7 Ų127.766%0.66476%0.764SS**  trans26.1112.9159.859.20000119.1
499V43.9Very low46.7Very low144 Ų144128.6 Ų128.687%0.87377%0.767SS**  trans-50.2130.9163.7-78.50000113.9
500T50.7Low46.7Very low125 Ų125131.4 Ų131.477%0.76778%0.781SS**  trans-140.4101.5161.2-520000109.1L502T500-L502 PolarHBondContact O-N 3.24Å
501P47.7Very low46.4Very low114 Ų114130.7 Ų130.774%0.7478%0.777SS**  trans-80.9114.8-178.830.6-32.3000111.4
502L44.5Very low46.1Very low159 Ų159131 Ų13183%0.83277%0.774SS**  trans-98.593.5175-171.671.3000110.6T500T500-L502 PolarHBondContact O-N 3.24Å
503T44.8Very low45.9Very low127 Ų127129.6 Ų129.678%0.77977%0.772SS**  trans-96.3115.4173.445.80000111.4
504T40.8Very low45.9Very low126 Ų126125.3 Ų125.377%0.77377%0.766SS**  trans-109.9100.9-179.7-11.40000110.9
505T45.7Very low45.8Very low124 Ų124123.1 Ų123.176%0.76176%0.764SS**  trans-146.5107.5175.5-20000113.2
506T42.8Very low45.8Very low120 Ų120122 Ų12274%0.73677%0.767SS**  trans49.883.4140.3-41.50000119.8
507T43.6Very low45.9Very low117 Ų117123.7 Ų123.772%0.71877%0.768SS**  35.4145.1128.354.20000123.7
508T46Very low45.7Very low135 Ų135123.2 Ų123.283%0.82877%0.769SS**  trans82.9146.2151.341.80000119.7
509P48.3Very low45.8Very low111 Ų111124.2 Ų124.272%0.72177%0.771SS**  trans-139.4170.3-135.142.6-24.9000117.2
510T47.8Very low45.8Very low142 Ų142122.9 Ų122.987%0.87177%0.768SS**  trans-170.6161.2130.915.40000110.4
511P48.5Very low45.5Very low111 Ų111122.3 Ų122.372%0.72177%0.769SS**  trans-104.7-179.3-159.441-37.9000114.8
512T45Very low45.1Very low122 Ų122123.6 Ų123.675%0.74878%0.775SS**  175.2123.4121.1-73.70000113.9
513T44.6Very low45Very low127 Ų127120.5 Ų120.578%0.77977%0.772SS**  trans70.494.8149.7-57.80000123.4
514A46.8Very low44.9Very low93 Ų93120 Ų12077%0.76977%0.769SS**  89.4153.5116.700000124.2
515P48.5Very low44.8Very low121 Ų121119.7 Ų119.779%0.78677%0.767SS**  trans-134.2175.1-165.443.7-25.7000117
516S42.9Very low44.6Very low116 Ų116120 Ų12081%0.81177%0.769SS**  trans170.8164.6149.537.40000111.7
517M48.5Very low44.4Very low165 Ų165120.1 Ų120.181%0.81377%0.769SS**  cis-166.3166.2-36.2-103-160.374.800109
518S44.4Very low44.5Very low93 Ų93120.8 Ų120.865%0.6577%0.773SS**  trans73.3156.2155.6-60.40000120.3
519T47Very low44.3Very low117 Ų117121.9 Ų121.972%0.71877%0.774SS**  -179.3156.2-50.730.90000111.1
520S43.1Very low44.7Very low115 Ų115122.1 Ų122.180%0.80478%0.776SS**  trans68.9158.7156.3-77.70000119.9
521S43.6Very low44.4Very low114 Ų114122 Ų12280%0.79778%0.775SS**  cis-167.1174.6-2351.80000111.9
522V40.7Very low44.1Very low141 Ų141121.7 Ų121.786%0.85578%0.775SS**  trans-86.9147.4-169172.80000115.3
523A41.4Very low44Very low93 Ų93121.6 Ų121.677%0.76978%0.779SS**  trans-169.3176.614700000113.3
524T41.9Very low44.1Very low118 Ų118123.5 Ų123.572%0.72478%0.782SS**  -148.9140.1-86.7-44.80000111.1
525T39.3Very low43.9Very low119 Ų119125.9 Ų125.973%0.7378%0.781SS**  trans26131.1158.157.20000124.3
526T41.7Very low43.7Very low131 Ų131125.2 Ų125.280%0.80478%0.78SS**  165.4129.3113.942.80000110.1
527T39.7Very low43.6Very low121 Ų121126 Ų12674%0.74278%0.78SS**  83.4107.366.1-48.20000115
528T44.5Very low43Very low131 Ų131123.2 Ų123.280%0.80478%0.775SS**  trans168.1112.3135.440.10000114.4
529D42.5Very low42.5Very low158 Ų158124.9 Ų124.985%0.84578%0.782SS**  53.5158.2127.4-69.812000126.3
530P55.6Low42Very low116 Ų116125.6 Ų125.675%0.75379%0.786SS**  trans-132.1174.4-149.144.2-28.6000118
531V42Very low41.7Very low141 Ų141125.9 Ų125.986%0.85579%0.788SS**  trans-151.8128.8164.6-120.60000117.3
532S41.8Very low41.6Very low103 Ų103128.3 Ų128.372%0.7279%0.79SS**  trans42.9119.6141.564.20000125.1
533S44.2Very low41.4Very low120 Ų120126.5 Ų126.584%0.83978%0.784SS**  177.8126.1120.936.80000108.7
534M45.8Very low41.1Very low168 Ų168127 Ų12783%0.82878%0.782SS**  cis92.3122.543.5-80.7-164.569.400115.7
535N43.5Very low40.9Very low142 Ų142128.8 Ų128.876%0.75979%0.787SS**  trans103.595.7173-57.3-17.7000114.7
536S42.9Very low40.9Very low108 Ų108129.1 Ų129.176%0.75579%0.789SS**  86.2108.655.3-64.80000114.7
537T40.9Very low40.9Very low133 Ų133129.3 Ų129.382%0.81679%0.79SS**  177132.3113.1-68.60000112.8
538C35.9Very low40.7Very low106 Ų106129.4 Ų129.472%0.71679%0.791SS**  trans-12.4122.2166.3-57.70000118.7
539T34.5Very low40.4Very low127 Ų127129 Ų12978%0.77979%0.788SS**  71.1114.463.366.20000117
540T36.9Very low40.6Very low132 Ų132127.6 Ų127.681%0.8179%0.785SS**  -164.1119.8127.1-71.80000109.5
541S35.9Very low39.7Very low122 Ų122128.8 Ų128.885%0.85379%0.785SS**  trans-147.3127.816839.70000108.5
542I42.7Very low39.5Very low164 Ų164131.6 Ų131.684%0.84179%0.789SS**PPolyproline II helixtrans-98.7138.4-174.9-63.3178.6000109.3
543S35.1Very low39.2Very low103 Ų103132.8 Ų132.872%0.7279%0.792SS**PPolyproline II helixtrans-73.8143.2-166.4-163.30000114.1
544S36.9Very low39.1Very low103 Ų103133.5 Ų133.572%0.7279%0.791SS**PPolyproline II helixtrans-76.3132.3158.2-59.90000109.7
545N36.7Very low38.7Very low156 Ų156130.1 Ų130.183%0.83478%0.784SS**  trans-103.5114.2163-821000108.6
546T39.1Very low38.3Very low127 Ų127131.1 Ų131.178%0.77979%0.79SS**  trans-117.9110178.3-45.50000108.4
547T41.4Very low38Very low134 Ų134131.9 Ų131.982%0.82280%0.795SS**  trans-76.4128.5-177.8-46.90000111.1
548T35.5Very low37.6Very low123 Ų123130.2 Ų130.276%0.75579%0.789SS**  trans-61.3139179-47.30000112.4
549V39.9Very low37.8Very low122 Ų122132.6 Ų132.674%0.73979%0.793SS**  trans-113.4124.2161.8177.70000107.9
550T44.9Very low38Very low129 Ų129133 Ų13379%0.79179%0.789SS**  trans-83.6128.9172.642.60000110.3
551N37.4Very low38.2Very low141 Ų141132.4 Ų132.475%0.75479%0.787SS**  trans-87.1136.5174.5-64.9-29.6000110.7
552E37.9Very low38.6Very low200 Ų200135.2 Ų135.294%0.93578%0.784SS**  trans-118146.6151.9-71.4-159146.500109.7
553T36.3Very low38.2Very low128 Ų128136.6 Ų136.679%0.78578%0.784SS**  trans-117.4124.1-165.4-62.70000110.3
554T40.4Very low38.3Very low135 Ų135139.5 Ų139.583%0.82879%0.791SS**  trans-150.7110.1161.2-70.70000112.6
555S38.2Very low38.1Very low97 Ų97140.5 Ų140.568%0.67879%0.793SS**  trans45.1102.8140.9-53.10000122
556N35.9Very low38.5Very low164 Ų164138.9 Ų138.988%0.87779%0.793SS**  38.3115.5121.4-59.6-11.3000120.7
557S35.6Very low38.3Very low124 Ų124140.4 Ų140.487%0.86780%0.797SS**  -152.8151118.1-166.20000110.8
558S32.4Very low38.1Very low97 Ų97139.1 Ų139.168%0.67879%0.793SS**  trans-131123.5-171.4172.20000111.4
559I40.6Very low38.3Very low157 Ų157141.6 Ų141.681%0.80580%0.8SS**  trans-135.3119.5170.6-59.3-177.9000109.2
560I38.9Very low38Very low135 Ų135140.1 Ų140.169%0.69280%0.795SS**  trans-115.6117.7177-61170.7000109.1
561P41.4Very low37.7Very low119 Ų119142.1 Ų142.177%0.77380%0.795SS**PPolyproline II helixtrans-73.8131.1162.6-14.731000110.4
562K43.5Very low37.5Very low182 Ų182142 Ų14279%0.79179%0.794SS**PPolyproline II helixtrans-86.5140-173.9-65.8174.9-178.3173.60112.3L564K562-L564 PolarHBondContact O-N 2.85Å
563K33.7Very low37.6Very low193 Ų193141.2 Ų141.284%0.83979%0.787SS**PPolyproline II helixtrans-68.2119.2162.7-175.4178.8-176.6178.50109
564L37.5Very low37.4Very low164 Ų164144.8 Ų144.886%0.85979%0.792SS**  trans-104.4120.2174.5-90.1165.8000110.5K562K562-L564 PolarHBondContact O-N 2.85Å
565T33.3Very low37.2Very low124 Ų124143.7 Ų143.776%0.76179%0.79SS**  trans-118.5121.9165.944.20000108.3
566S45.5Very low37.2Very low121 Ų121148.1 Ų148.185%0.84680%0.797SS**  trans-123.1137.3166.847.10000109
567N34Very low37Very low159 Ų159147.5 Ų147.585%0.8579%0.788SS**  trans-121.4158.8176-124.40.9000107.9
568S36.7Very low37.3Very low108 Ų108151.1 Ų151.176%0.75579%0.792SS**  trans66.3113.6171.1-53.20000117
569I41Very low37.4Very low174 Ų174155.7 Ų155.789%0.89280%0.803SS**  -157.2136.8103-94.4153.1000108.1
570S33.7Very low37.2Very low91 Ų91152.1 Ų152.164%0.63680%0.804SS**  trans-103.2136174.751.40000110.5
571H37.7Very low36.8Very low172 Ų172149.3 Ų149.380%0.79681%0.809SS**  170.9152.7124.5-95.4-69.3000114.2
572L33.8Very low36.9Very low138 Ų138153 Ų15372%0.72382%0.816SS**  trans76.6118.9150.9-11164.9000122
573K38.7Very low36.8Very low183 Ų183153.4 Ų153.480%0.79682%0.82SS**  trans38.2110.3139.3-66.1176.6-179.6177.10117.9
574K33.6Very low36.8Very low203 Ų203153.5 Ų153.588%0.88382%0.824SS**  64.194.976.5-174.2-164.9174.91760113.5
575S36.3Very low36.8Very low112 Ų112154.2 Ų154.278%0.78382%0.823SS**  trans-168129.8133.652.20000113.7
576K37.2Very low37Very low190 Ų190156 Ų15683%0.82682%0.822SS**  trans76.3143.4142.3-136.6173.7-176.5-164.50121.8
577E31.9Very low36.4Very low151 Ų151159.8 Ų159.871%0.70683%0.827SS**  trans-62.8158.1173.7-49.3103.9147.900113.7
578E41.1Very low36.7Very low200 Ų200158.4 Ų158.494%0.93582%0.818SS**  trans-144.7147.7138.4-141.8157.1-131.200109.5
579E34.8Very low36.5Very low194 Ų194162.4 Ų162.491%0.90783%0.825SS**  trans-99.2162.5-173.4-66.6-176.1106.100112.4
580G36.4Very low36.1Very low82 Ų82158.1 Ų158.185%0.84581%0.81SS**  trans158.2109.117600000112.2
581G31.7Very low36Very low76 Ų76161.6 Ų161.678%0.78482%0.816SS**  cis112.958.9-1.900000113.4
582E43.5Very low35.6Very low196 Ų196159 Ų15992%0.91682%0.816SS**  trans-130.2156.3166-72.2-170.2170.100110
583E39.8Very low35.4Very low190 Ų190159.2 Ų159.289%0.88882%0.817SS**  trans-112.4177.7-143.4-59.6-170.1110.300115.4
584E34.4Very low35.3Very low196 Ų196157 Ų15792%0.91681%0.812SS**  trans-71.6122.3166.3-60.9176.4127.800108.5
585Q37.8Very low35.4Very low179 Ų179152 Ų15284%0.83680%0.802SS**  trans-130.5150.7167.7-162.5161.335.100112.4
586E37.3Very low35.1Very low161 Ų161156.5 Ų156.575%0.75281%0.808SS**  trans-70.9157.5-155.2-69.1159.9108.400116.4I588E586-I588 PolarHBondContact O-N 3.13Å
587E33.2Very low35Very low201 Ų201154.8 Ų154.894%0.93981%0.808SS**  trans-51.390.4157.1-178.1165.7-130.300111.9
588I40.7Very low35Very low129 Ų129152.6 Ų152.666%0.66281%0.809SS**  trans-106.8101.4166.7-57.1-178.2000109.5E586 S590E586-I588 PolarHBondContact O-N 3.13Å; I588-S590 PolarHBondContact O-N 2.95Å; I588-S590 VanDerWaalsContact O-N 3.12Å
589E32.7Very low34.7Very low193 Ų193151.2 Ų151.290%0.90281%0.807SS**  trans-69.599.1164.3-178.8173.4-147.800109.1
590S32.8Very low35Very low83 Ų83147 Ų14758%0.5880%0.8SS**  trans-150.3111172.4-840000114.7I588I588-S590 PolarHBondContact O-N 2.95Å; I588-S590 VanDerWaalsContact O-N 3.12Å
591Q30.2Very low35.1Very low165 Ų165148.7 Ų148.777%0.77180%0.795SS**  trans51.1104139.3-54.9-174.838.200117.8I593Q591-I593 PolarHBondContact O-N 2.93Å
592C29.2Very low35.7Very low116 Ų116151.5 Ų151.578%0.78479%0.79SS**  trans-66.595.6159.6-172.40000109.7I594C592-I594 VanDerWaalsContact C-N 3.3Å; C592-I594 PolarHBondContact O-N 2.98Å
593I30.8Very low36.1Very low144 Ų144151 Ų15174%0.73879%0.785SS**  trans-71.789.2172.2-58.6179.6000108.3Q591 S595Q591-I593 PolarHBondContact O-N 2.93Å; I593-S595 PolarHBondContact O-N 3.23Å
594I35.9Very low36.7Very low137 Ų137147.9 Ų147.970%0.70378%0.781SS**  trans-72.4107.7168.7-61.4177.1000107.6C592 K596C592-I594 VanDerWaalsContact C-N 3.3Å; C592-I594 PolarHBondContact O-N 2.98Å; I594-K596 PolarHBondContact O-N 2.97Å
595S35.3Very low36.9Very low97 Ų97147.4 Ų147.468%0.67878%0.779SS**  trans-55.5121.8175-62.90000110.9I593 N597I593-S595 PolarHBondContact O-N 3.23Å; S595-N597 VanDerWaalsContact C-N 3.26Å; S595-N597 PolarHBondContact O-N 3.28Å
596K31.4Very low37.2Very low206 Ų206147.1 Ų147.190%0.89678%0.783SS**  trans-75.962.8-172.5-66.3-176.9177.6178.40113.6I594 S598I594-K596 PolarHBondContact O-N 2.97Å; K596-S598 PolarHBondContact O-N 3.12Å; K596-S598 VanDerWaalsContact O-N 3.13Å
597N35.2Very low37.3Very low155 Ų155142.4 Ų142.483%0.82978%0.777SS**  trans-86.981.6171-80.633.7000111.1S595S595-N597 VanDerWaalsContact C-N 3.26Å; S595-N597 PolarHBondContact O-N 3.28Å
598S30.9Very low37.9Very low105 Ų105137.9 Ų137.973%0.73477%0.768SS**  trans-13117.9161.7168.70000117.1K596K596-S598 PolarHBondContact O-N 3.12Å; K596-S598 VanDerWaalsContact O-N 3.13Å
599L35.8Very low37.9Very low171 Ų171139.3 Ų139.390%0.89578%0.777SS**  trans-161121.6145.3-105.3150.6000109.1
600S41.2Very low38.2Very low106 Ų106133.5 Ų133.574%0.74177%0.769SS**  trans-89.4144-167.6-53.90000113.5
601P38.5Very low38.6Very low116 Ų116136.8 Ų136.875%0.75378%0.778SS**  trans-72.4129.3163.431.1-32.3000110
602M43.5Very low39.1Very low136 Ų136135.7 Ų135.767%0.6778%0.778SS**  trans-97108.1-173.4-177.2165.759.800111.3A256A256-M602 HydrophobicContact CB-CE 3.94Å
603F52.2Low39.5Very low184 Ų184137.3 Ų137.381%0.80778%0.779SS**PPolyproline II helixtrans-86.1136.5167.7-83.4-89000110.6
604P51.5Low40Very low125 Ų125139.9 Ų139.981%0.81279%0.787SS**PPolyproline II helixtrans-68.8135.3167-1630.7000111.2
605Q39.8Very low40.2Very low186 Ų186139.7 Ų139.787%0.86979%0.787SS**PPolyproline II helixtrans-102.7128.5163.9-89.6-169.8-3200110
606D42.9Very low40.5Very low174 Ų174139 Ų13993%0.9378%0.782SS**  trans-160.8133.5150.6-93.5-41.4000106.5
607G40Very low40.9Very low61 Ų61136.8 Ų136.863%0.62978%0.775SS**  cis-178.8161.2-8.600000112.1
608S45.4Very low41Very low106 Ų106136.2 Ų136.274%0.74177%0.768SS**  trans72.3123168.676.50000120.8
609N40Very low41.4Very low160 Ų160136.7 Ų136.786%0.85676%0.762SS**  trans55.2123.7130.2-49.1-11.6000121.2
610G39.5Very low41.4Very low71 Ų71134.9 Ų134.973%0.73275%0.754SS**  cis152.9-179.7-9.900000115.7
611I42.3Very low41.3Very low151 Ų151137.2 Ų137.277%0.77476%0.757SS**  trans76.2104.7151.8-51.1-176.8000119.3
612N39.8Very low41.5Very low142 Ų142138.3 Ų138.376%0.75976%0.756SS**  trans72.8107.6143.1-60.61000123.3
613N37.1Very low41.3Very low151 Ų151137.4 Ų137.481%0.80775%0.754SS**  0.7139.4124-50.6-6.7000118.4
614H43Very low40.7Very low197 Ų197134.1 Ų134.191%0.91274%0.744SS**  -146.3163117.7-129.6-85.6000113.2
615D39.4Very low40.2Very low133 Ų133136.2 Ų136.271%0.71174%0.743SS**  trans-97.8171.1-155.4-148-39.2000115
616S41.3Very low40.1Very low82 Ų82132.3 Ų132.357%0.57374%0.735SS**  trans76.4117.9144.2-70.40000123.3
617Q39.5Very low39.9Very low160 Ų160133.6 Ų133.675%0.74873%0.727SS**  79121.9122.9-69.6-174.9-30.600123.6
618Q38.1Very low39.9Very low144 Ų144137 Ų13767%0.67373%0.73SS**  90.8137.5125.4-77.7-170.4-82.900124
619D38.6Very low39.7Very low114 Ų114137.5 Ų137.561%0.6173%0.725SS**  trans71.5114.7141.8-659.6000122.4
620N36.7Very low39.9Very low134 Ų134136.1 Ų136.172%0.71772%0.717SS**  47.4122.7128.6-51.8-52.8000119.8
621L39.2Very low40.2Very low154 Ų154140.3 Ų140.381%0.80672%0.717SS**  -179.8140.798.3-91.7170000113.9
622L41.3Very low40.8Very low140 Ų140139.5 Ų139.573%0.73372%0.72SS**  trans26.9141.3144.3-94.964.4000124.4
623N39.4Very low41.5Very low117 Ų117137.2 Ų137.263%0.62671%0.711SS**  106.3131.8128.4-86.232.5000124
624D40.3Very low42.3Very low115 Ų115139.4 Ų139.462%0.61571%0.714SS**  trans79.692.3132.2-61-9.6000123.8
625H41.8Very low42.8Very low168 Ų168143.2 Ų143.278%0.77873%0.727SS**  86.7141.5109.2-90.5-6.5000122.8
626C36.7Very low42.9Very low105 Ų105143.7 Ų143.771%0.70973%0.728SS**  trans74.1151.4146.8-74.50000120
627R38.3Very low43Very low201 Ų201146.9 Ų146.976%0.75874%0.736SS**  cis-171.1-180-31.4-145.6174.682.3-179.66108
628L40.8Very low43.2Very low133 Ų133146.2 Ų146.270%0.69674%0.736SS**  trans80.2145164.9-56.1170.5000117.3
629N41.8Very low43.5Very low116 Ų116146.4 Ų146.462%0.6274%0.739SS**  cis-169.2164.8-33.2-12551.6000111
630N43.3Very low43.8Very low131 Ų131148.4 Ų148.470%0.70175%0.747SS**  trans66.5134163.5-55.34.8000117
631E46.1Very low44.3Very low158 Ų158149.3 Ų149.374%0.73875%0.75SS**  cis108.9114.217.6-175.7-177.2-167.200113.2
632T54.9Low44.7Very low134 Ų134149 Ų14982%0.82275%0.745SS**  trans-152.784.7159.5-54.40000112.3
633T53.8Low44.9Very low95 Ų95149.7 Ų149.758%0.58375%0.746SS**  trans29.1141.6134.314.20000123.8
634K53.3Low45.4Very low197 Ų197152.4 Ų152.486%0.85776%0.756SS**  trans81.1142.6154.1-62.7156.6-173.6169.50116.5
635K53.6Low45.9Very low276 Ų276155.8 Ų155.8100%1.277%0.769SS**  cis-140.304.7-164.9-175.7178.7-172.60111.2

Retrieved 635 of 635 residues in 234.6 ms (Link to these results)