A0A3Q0KFW9_SCHMA Loading...

Putative poly(P)/ATP NAD kinase

AlphaFold DB , UniProt , Accession A0A3Q0KFW9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 505 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M48.8Very low53.8Low235 Ų235168.1 Ų168.1100%1.15884%0.838SS**  0127.40-71.6-168.9147.400108.9
2P62.2Low52.9Low124 Ų124165.6 Ų165.681%0.80584%0.838SS**  trans-73.9136177.130.8-32.8000110.5V4P2-V4 PolarHBondContact O-N 3.35Å
3K50.9Low52.5Low208 Ų208166.4 Ų166.490%0.90483%0.832SS**  trans-84.3109.3175.8-68.4175.6179.9174.40108.7F5K3-F5 PolarHBondContact O-N 3.19Å
4V60.1Low52.5Low129 Ų129162.6 Ų162.678%0.78282%0.822SS**  trans-78.1113.1177.7-173.90000109.5P2P2-V4 PolarHBondContact O-N 3.35Å
5F56.6Low51.9Low185 Ų185162.9 Ų162.981%0.81182%0.819SS**  trans-84.7125.3177.7-168-95.8000109.8K3K3-F5 PolarHBondContact O-N 3.19Å
6R59.6Low51.7Low229 Ų229162.3 Ų162.386%0.86482%0.817SS**  trans-108.5120.9170.7-72.5-169.6177.8-139.3-0.7109.4
7P54.8Low51.7Low104 Ų104163.9 Ų163.968%0.67582%0.817SS**  trans-73.7145.7179.430.2-33.9000111.6
8S52.4Low51.3Low101 Ų101161.7 Ų161.771%0.70681%0.814SS**  trans-80.6121.9176.2-177.80000110.6K10S8-K10 PolarHBondContact O-N 2.98Å
9I48.8Very low51.1Low165 Ų165161.3 Ų161.385%0.84682%0.815SS**  trans-70.8110.3175.1-62.8171.2000109.1
10K49.7Very low50.6Low181 Ų181162.5 Ų162.579%0.78782%0.818SS**  trans-134.9119.5163-72.9-172.3179.2178.60110.2S8S8-K10 PolarHBondContact O-N 2.98Å
11Q48.4Very low50.6Low188 Ų188161.4 Ų161.488%0.87982%0.819SS**  trans57.883.6160.2-57.7-175.3-500117.1K13Q11-K13 PolarHBondContact O-N 2.87Å
12V42.7Very low50.3Low138 Ų138159 Ų15984%0.83681%0.805SS**  trans-82.7105.2152.6179.20000107.7
13K47.6Very low49.1Very low176 Ų176158.7 Ų158.777%0.76580%0.801SS**  trans-92115.6167.7-172.6162.5-178173.60108.1Q11 H15Q11-K13 PolarHBondContact O-N 2.87Å; K13-H15 PolarHBondContact O-N 2.79Å
14T52.2Low48.7Very low113 Ų113158.4 Ų158.469%0.69380%0.803SS**  trans-69.1124.4-177.540.10000111.1
15H44.3Very low47.6Very low168 Ų168159.3 Ų159.378%0.77880%0.799SS**  trans-116.492.6161.8-79.5-83.9000107.6K13K13-H15 PolarHBondContact O-N 2.79Å
16I48.8Very low47Very low153 Ų153158.8 Ų158.879%0.78580%0.802SS**  trans-82.4114.9168.1-62.2176.7000106.4
17K50.4Low46.4Very low189 Ų189157.7 Ų157.782%0.82280%0.798SS**PPolyproline II helixtrans-77.1122.4169.7-74.3-178.3174.2-177.10108.6
18T45Very low45.8Very low124 Ų124157.6 Ų157.676%0.76180%0.797SS**PPolyproline II helixtrans-76126.5162.943.50000108.9
19N47.5Very low45.4Very low155 Ų155160.8 Ų160.883%0.82981%0.806SS**PPolyproline II helixtrans-86.4129.6163.7-80.4-11.6000108.5
20E42.2Very low45Very low185 Ų185161.5 Ų161.586%0.86481%0.806SS**PPolyproline II helixtrans-82.4137175-61.1171.514600109.5
21V50.1Low44.6Very low139 Ų139159.5 Ų159.584%0.84281%0.809SS**  trans-133.897.2162.7-178.90000108.9
22E41.4Very low44.4Very low184 Ų184156.1 Ų156.186%0.8681%0.806SS**  trans26.5109.1143.8-152.5157.7-167.300120.5
23T36.8Very low44.4Very low119 Ų119157.4 Ų157.473%0.7381%0.808SS**  trans-27.6137.8156.9-43.10000117.5E25T23-E25 HydrophobicContact CG2-CB 4.46Å
24Q43.5Very low44Very low202 Ų202154 Ų15494%0.94480%0.804SS**  trans-131.6144.4132.9-71.8-161.48.300110.9
25E36.7Very low43.5Very low148 Ų148156 Ų15669%0.69281%0.806SS**  trans-112.3125.9-160.1175.8-175-168.600111.4T23T23-E25 HydrophobicContact CG2-CB 4.46Å
26I44.7Very low43.4Very low174 Ų174153.7 Ų153.789%0.89281%0.806SS**  trans-137.5108.5160.8-54.8-178.8000110
27R46.1Very low43.3Very low206 Ų206151.1 Ų151.178%0.77780%0.801SS**  trans-93.9177164.3-86.3-178.3168.7-159.31109.6
28P42.4Very low42.7Very low101 Ų101151.4 Ų151.466%0.65680%0.802SS**  cis-132.8-177.5-43.238-22.9000111.1
29N44.8Very low42.7Very low168 Ų168154.3 Ų154.390%0.89881%0.807SS**  trans-159.1144.6134.6-107.6-29.5000112.4
30Q40.4Very low42.5Very low181 Ų181152 Ų15285%0.84680%0.803SS**  trans-106.9136.8-174.4-59.6177.5-6.300110.9
31V41.2Very low42.7Very low138 Ų138147.9 Ų147.984%0.83680%0.795SS**  trans-144.7104.3156.7-177.30000110.9
32S43.1Very low42.3Very low117 Ų117146.7 Ų146.782%0.81879%0.792SS**  trans56.7135.2138.1-49.60000124
33D42.7Very low42Very low166 Ų166143.3 Ų143.389%0.88879%0.788SS**  trans-82.8175.5-172.1-89-53.6000117.8
34P39.4Very low42.2Very low103 Ų103144.2 Ų144.267%0.66979%0.787SS**  trans-115.9175.7-165.843.3-34.7000116.8
35Q42.1Very low42Very low156 Ų156141.7 Ų141.773%0.72978%0.779SS**  trans-148148.6162.3-90.4-55.1-8200111.4
36P42.4Very low41.9Very low120 Ų120140.1 Ų140.178%0.77978%0.779SS**  -137.9157.392.135.7-21.4000116.8
37S45.8Very low41.9Very low98 Ų98137.6 Ų137.669%0.68578%0.777SS**  trans-58.5138.5170.643.80000113.2
38K39.3Very low42Very low196 Ų196137 Ų13785%0.85278%0.783SS**  73.796.658.6-75.5-167.5179.3179.80116.2
39E44.2Very low42Very low184 Ų184137.1 Ų137.186%0.8678%0.784SS**  trans-142.7106.2143.2-68.4-168.7155.900106.7
40S43.1Very low41.7Very low106 Ų106138.4 Ų138.474%0.74178%0.781SS**  45120.199.7560000114.7
41S46Very low41.8Very low100 Ų100135.4 Ų135.470%0.69978%0.777SS**  -169.8149.459.7-57.10000114.1
42S42.3Very low41.5Very low113 Ų113133.9 Ų133.979%0.7977%0.773SS**  trans53.9160.5146.660.20000120.9
43C35.1Very low41.6Very low113 Ų113133.9 Ų133.976%0.76477%0.773SS**  cis-175.1159.2-20.1-950000106.9
44I42Very low41.5Very low138 Ų138132.2 Ų132.271%0.70877%0.771SS**  cis-171.7156.4-24.7-156176.3000108.3
45I39.4Very low41.4Very low150 Ų150135.3 Ų135.377%0.76978%0.781SS**  trans67.1153.5166.9-69.4169.1000116.8
46T34.1Very low41.5Very low115 Ų115133.5 Ų133.571%0.70678%0.783SS**  cis-178.1136.5-33.8-710000105.9
47S45Very low41.4Very low121 Ų121132.7 Ų132.785%0.84678%0.78SS**  trans-178.5145.3145.136.50000113.6
48E47.5Very low41.5Very low192 Ų192136.8 Ų136.890%0.89779%0.789SS**  trans-97.9176.8-172.5-94.5-158.6147.700114.1
49P42.1Very low41.5Very low104 Ų104135 Ų13568%0.67579%0.788SS**  trans-113.2171.1-154.341.8-35.7000117.4
50K39Very low41.4Very low196 Ų196131.9 Ų131.985%0.85278%0.784SS**  trans66.7171.4160.2-99.1179.4160.7169.40115.6
51P41.3Very low40.8Very low117 Ų117132.3 Ų132.376%0.7679%0.786SS**  cis-127.7178.66.638.9-20.9000116.9
52S36.5Very low40.6Very low106 Ų106136.1 Ų136.174%0.74179%0.792SS**  trans-79.8147.7175.149.80000114.5
53S43.7Very low40.7Very low118 Ų118135.9 Ų135.983%0.82579%0.787SS**  trans-139.4152.7166-62.50000111.6
54P40.4Very low40.9Very low130 Ų130136 Ų13684%0.84479%0.786SS**  trans-105.2174.7-160.639.4-34.2000116.4
55L39.1Very low41.1Very low168 Ų168138.1 Ų138.188%0.8879%0.79SS**  trans-71.8156.7179.2-81.898.6000114.7
56P43.8Very low41Very low118 Ų118137 Ų13777%0.76679%0.79SS**  trans-88.4135176.734.7-34.1000115.1
57S40.7Very low41.4Very low103 Ų103135.3 Ų135.372%0.7279%0.788SS**  trans16133.6133.9-161.10000121
58Q46.6Very low41.2Very low185 Ų185135.8 Ų135.886%0.86479%0.786SS**  -175.6126.5104.5-95169.711.900114
59N40.3Very low41.2Very low157 Ų157131.4 Ų131.484%0.8477%0.774SS**  trans-88.7-179.4160.2-74.1-33.6000108.8
60P41.4Very low41Very low119 Ų119137.3 Ų137.377%0.77378%0.783SS**  cis-130.316625.419.98.4000115
61C31.4Very low41.2Very low115 Ų115135.1 Ų135.178%0.77778%0.78SS**  74.611356.5-158.20000116.1
62E40.8Very low41.4Very low180 Ų180134.5 Ų134.584%0.84177%0.774SS**  trans-179.7102.5147.1-103171.6-155.500110.4
63T44.4Very low41.9Very low109 Ų109136.4 Ų136.467%0.66978%0.776SS**  76.5130.399.361.20000119.1
64P40.3Very low42Very low115 Ų115136.4 Ų136.475%0.74777%0.773SS**  trans-109.4166.2-175.241.4-36.2000116.6
65K45.3Very low42.4Very low182 Ų182137.2 Ų137.279%0.79177%0.77SS**  trans-168.9163.7167.2-85.9116-155.7173.20109.8
66T37.8Very low42.9Very low126 Ų126136.6 Ų136.677%0.77377%0.767SS**  cis-170.2146.3-22.1-87.40000111.4
67A41Very low42.8Very low81 Ų81138.1 Ų138.167%0.66977%0.769SS**  trans64.4110.6157.700000124.8
68T42.1Very low43Very low131 Ų131139.8 Ų139.880%0.80477%0.774SS**  15170.4115150000122.8
69P46.4Very low42.7Very low99 Ų99140.9 Ų140.964%0.64377%0.771SS**  cis-144.2173.4-8.131.7-8000119.9
70R38.9Very low42.9Very low228 Ų228139.3 Ų139.386%0.8677%0.766SS**  trans66.5128.6145.1-75.7165.3-159.2-108.55.2122.7
71L42.9Very low43Very low151 Ų151139.6 Ų139.679%0.79176%0.761SS**  -173.2137.198.3-96.7169.6000112.8
72T44.8Very low44Very low104 Ų104137.7 Ų137.764%0.63875%0.749SS**  trans26.2142.1146.654.80000121.8
73D48.4Very low44.3Very low146 Ų146136.5 Ų136.578%0.78174%0.744SS**  cis-160.4166.2-2.6-93.1-30.2000109.7
74P46.1Very low44.2Very low118 Ų118141 Ų14177%0.76675%0.748SS**  trans-108.9156.3-167.739.2-31.8000115.7
75D47.2Very low44.5Very low147 Ų147139.5 Ų139.579%0.78674%0.741SS**  trans-158152144.6-149.7-0.3000114.5
76L49.8Very low44.8Very low155 Ų155136.4 Ų136.481%0.81273%0.729SS**  trans68.7109.8167.4-54.9-176.1000121.5
77D42.6Very low45.3Very low150 Ų150137.3 Ų137.380%0.80273%0.725SS**  trans-73.8133.1174.5-77.8-62.7000115.6
78V45.3Very low45.7Very low137 Ų137136.9 Ų136.983%0.8371%0.713SS**  -145.391.6128.9-177.70000108.5V80V78-V80 HydrophobicContact CG1-CG2 4.42Å; V78-V80 PolarHBondContact O-N 2.77Å
79R39Very low46.3Very low209 Ų209133.6 Ų133.679%0.78970%0.696SS**  trans-91.1100.1179-162.9170-171.4137.52.2111.2
80V46.2Very low46.7Very low123 Ų123135.1 Ų135.175%0.74569%0.694SS**  trans-98.9127.6162.9175.70000108V78 S82V78-V80 HydrophobicContact CG1-CG2 4.42Å; V78-V80 PolarHBondContact O-N 2.77Å; V80-S82 PolarHBondContact O-N 2.74Å
81D43.1Very low47.5Very low126 Ų126131.1 Ų131.167%0.67469%0.685SS**  trans-64.992.2-171.1-64.1-53.4000113.5
82S51.3Low48.3Very low75 Ų75128.4 Ų128.452%0.52467%0.671SS.*  trans-76.1-23.7-177.2-159.70000113.5V80 S85V80-S82 PolarHBondContact O-N 2.74Å; S82-S85 PolarHBondContact O-N 3.32Å
83E46.8Very low48.8Very low155 Ų155128 Ų12872%0.72467%0.668SS**Hα-helixtrans-75.7-29.4-168.8-60.3-169.4163.400113.8S85 Q86E83-S85 VanDerWaalsContact C-N 3.32Å; E83-S85 PolarHBondContact O-N 2.94Å; E83-Q86 PolarHBondContact O-N 2.93Å
84R44Very low49.3Very low203 Ų203126.5 Ų126.577%0.76666%0.66SS**Hα-helixtrans-74.1-23.9178-157.4172.9-167.2-170.43.9113.2V88R84-V88 WeakPolarHBondContact O-CG2 3.24Å
85S46.4Very low49.8Very low84 Ų84127.4 Ų127.459%0.58766%0.657SS**Hα-helixtrans-76.5-27.1177.8-630000112.5S82 E83 S89S82-S85 PolarHBondContact O-N 3.32Å; E83-S85 VanDerWaalsContact C-N 3.32Å; E83-S85 PolarHBondContact O-N 2.94Å; S85-S89 WeakPolarHBondContact O-CB 3.43Å; S85-S89 PolarHBondContact O-N 2.99Å; S85-S89 PolarHBondContact O-OG 3.37Å
86Q50.4Low50.2Low116 Ų116128.4 Ų128.454%0.54266%0.655SS.*Hα-helixtrans-73.7-49.6-179.9-66-177.33.600111.3E83 V88 S89 E90E83-Q86 PolarHBondContact O-N 2.93Å; Q86-V88 PolarHBondContact O-N 3.16Å; Q86-S89 PolarHBondContact O-N 3.47Å; Q86-S89 VanDerWaalsContact O-N 3.08Å; Q86-S89 PolarHBondContact O-OG 2.87Å; Q86-E90 PolarHBondContact O-N 3.49Å
87Q48.1Very low50.7Low146 Ų146125.4 Ų125.468%0.68264%0.643SS**Hα-helixtrans-58.9-41.5177.2-74.7-173.9-33.700113.4S89 E90 E91Q87-S89 VanDerWaalsContact C-N 3.32Å; Q87-S89 PolarHBondContact O-N 2.94Å; Q87-E90 PolarHBondContact O-N 2.7Å; Q87-E91 PolarHBondContact O-N 3.03Å
88V50.5Low51.4Low71 Ų71123.5 Ų123.543%0.4364%0.641SS.*Hα-helixtrans-69.5-31.4177.8177.80000111.7R84 Q86 I92R84-V88 WeakPolarHBondContact O-CG2 3.24Å; Q86-V88 PolarHBondContact O-N 3.16Å; V88-I92 HydrophobicContact CG1-CD1 3.75Å; V88-I92 HydrophobicContact CG1-CG1 4.46Å; V88-I92 WeakPolarHBondContact O-CB 3.37Å; V88-I92 VanDerWaalsContact O-CG1 3.29Å; V88-I92 WeakPolarHBondContact O-CG1 3.48Å; V88-I92 PolarHBondContact O-N 2.79Å
89S55Low52.1Low63 Ų63126.5 Ų126.544%0.44164%0.644SS.*Hα-helixtrans-69.3-38.117574.70000112.5S85 Q86 Q87 V93S85-S89 WeakPolarHBondContact O-CB 3.43Å; S85-S89 PolarHBondContact O-N 2.99Å; S85-S89 PolarHBondContact O-OG 3.37Å; Q86-S89 PolarHBondContact O-N 3.47Å; Q86-S89 VanDerWaalsContact O-N 3.08Å; Q86-S89 PolarHBondContact O-OG 2.87Å; Q87-S89 VanDerWaalsContact C-N 3.32Å; Q87-S89 PolarHBondContact O-N 2.94Å; S89-V93 WeakPolarHBondContact O-CB 3.28Å; S89-V93 WeakPolarHBondContact O-CG2 3.35Å; S89-V93 PolarHBondContact O-N 2.88Å; S89-V93 VanDerWaalsContact O-N 3.11Å
90E53.4Low53.1Low130 Ų130125.6 Ų125.661%0.60765%0.645SS**Hα-helixtrans-73.7-35.7177.8-67.3-173.7172.100112.7Q86 Q87 N94Q86-E90 PolarHBondContact O-N 3.49Å; Q87-E90 PolarHBondContact O-N 2.7Å; E90-N94 PolarHBondContact O-N 2.95Å; E90-N94 PolarHBondContact O-ND2 3.23Å
91E55.4Low53.3Low144 Ų144125.3 Ų125.367%0.67365%0.646SS**Hα-helixtrans-68.5-37.8176.9-164.4172.1-155.900112.1Q87Q87-E91 PolarHBondContact O-N 3.03Å
92I60Low53.7Low94 Ų94130.2 Ų130.248%0.48266%0.655SS.*Hα-helixtrans-74-34.8177.2-66172.3000112V88 N94 L95 F96V88-I92 HydrophobicContact CG1-CD1 3.75Å; V88-I92 HydrophobicContact CG1-CG1 4.46Å; V88-I92 WeakPolarHBondContact O-CB 3.37Å; V88-I92 VanDerWaalsContact O-CG1 3.29Å; V88-I92 WeakPolarHBondContact O-CG1 3.48Å; V88-I92 PolarHBondContact O-N 2.79Å; I92-N94 VanDerWaalsContact C-N 3.34Å; I92-L95 PolarHBondContact O-N 3.38Å; I92-F96 HydrophobicContact CG2-CE2 4.5Å; I92-F96 WeakPolarHBondContact O-CD2 3.47Å
93V56.7Low53.6Low97 Ų97136.1 Ų136.159%0.58867%0.671SS**Hα-helixtrans-68.5-33.5176.9168.50000111.8S89 L95 F96S89-V93 WeakPolarHBondContact O-CB 3.28Å; S89-V93 WeakPolarHBondContact O-CG2 3.35Å; S89-V93 PolarHBondContact O-N 2.88Å; S89-V93 VanDerWaalsContact O-N 3.11Å; V93-L95 VanDerWaalsContact C-N 3.27Å; V93-L95 PolarHBondContact O-N 2.98Å; V93-F96 PolarHBondContact O-N 3.36Å
94N58.1Low53.7Low114 Ų114135.1 Ų135.161%0.6167%0.669SS**Hα-helixtrans-71.5-15.3177.9-78.4-50.2000114.8E90 I92 F96E90-N94 PolarHBondContact O-N 2.95Å; E90-N94 PolarHBondContact O-ND2 3.23Å; I92-N94 VanDerWaalsContact C-N 3.34Å; N94-F96 VanDerWaalsContact C-N 3.33Å
95L56.3Low54Low136 Ų136134.9 Ų134.971%0.71267%0.674SS**THydrogen-bonded Turntrans-74-20174.2-87154.1000113.8I92 V93I92-L95 PolarHBondContact O-N 3.38Å; V93-L95 VanDerWaalsContact C-N 3.27Å; V93-L95 PolarHBondContact O-N 2.98Å
96F56.9Low54.3Low168 Ų168136 Ų13674%0.73768%0.677SS**THydrogen-bonded Turntrans-106.96.4-178.4-63.3-78.7000114.1I92 V93 N94 S98I92-F96 HydrophobicContact CG2-CE2 4.5Å; I92-F96 WeakPolarHBondContact O-CD2 3.47Å; V93-F96 PolarHBondContact O-N 3.36Å; N94-F96 VanDerWaalsContact C-N 3.33Å; F96-S98 PolarHBondContact O-N 3.5Å; F96-S98 VanDerWaalsContact O-N 3.09Å
97V59.4Low54.4Low92 Ų92139.5 Ų139.556%0.55869%0.69SS**SBendtrans-70.2107.3171.5178.40000109K99V97-K99 PolarHBondContact O-N 3.02Å
98S58.3Low54.6Low110 Ų110137.1 Ų137.177%0.76969%0.686SS**  trans-51.6103.3173.4-54.40000110.4F96 K100F96-S98 PolarHBondContact O-N 3.5Å; F96-S98 VanDerWaalsContact O-N 3.09Å; S98-K100 PolarHBondContact O-N 3.4Å
99K58.3Low54.9Low201 Ų201139.4 Ų139.487%0.87470%0.7SS**  trans-57.6113.2174.2-73.3-177.6179.3173.10107.7V97V97-K99 PolarHBondContact O-N 3.02Å
100K61.1Low55Low190 Ų190142.4 Ų142.483%0.82671%0.707SS**  trans-43.4129.2173.1-68.1178.6180176.60107.6S98 R102S98-K100 PolarHBondContact O-N 3.4Å; K100-R102 PolarHBondContact O-N 2.88Å
101P49.9Very low55.6Low116 Ų116142.9 Ų142.975%0.75372%0.719SS**  trans-55.3118.5-174.621.8-32.8000108K103P101-K103 PolarHBondContact O-N 3.48Å
102R52Low56Low230 Ų230141.8 Ų141.887%0.86872%0.717SS**  trans-58107.3172.7-84.7-177.3172.8166.8-3.5105.6K100 I104K100-R102 PolarHBondContact O-N 2.88Å; R102-I104 HydrophobicContact CB-CG1 4.28Å; R102-I104 PolarHBondContact O-N 3.04Å
103K48.8Very low56.1Low198 Ų198139.1 Ų139.186%0.86171%0.706SS**  trans-66.281166.5-71.2-170.3178.5-1760106.6P101 K105P101-K103 PolarHBondContact O-N 3.48Å; K103-K105 PolarHBondContact O-N 2.81Å
104I49.5Very low56.5Low135 Ų135138.6 Ų138.669%0.69270%0.704SS**  trans-64.694.8167-57.8177.2000104.5R102 V106R102-I104 HydrophobicContact CB-CG1 4.28Å; R102-I104 PolarHBondContact O-N 3.04Å; I104-V106 HydrophobicContact CG2-CG2 3.84Å; I104-V106 PolarHBondContact O-N 3.04Å
105K50.2Low56.8Low197 Ų197137.3 Ų137.386%0.85770%0.7SS**  trans-65.284162.1-77.7-173.7174.8-176.80106.2K103 K107K103-K105 PolarHBondContact O-N 2.81Å; K105-K107 PolarHBondContact O-N 3.36Å
106V52.5Low57.2Low107 Ų107137 Ų13765%0.64870%0.7SS**  trans-58.5108.7162.1179.80000104.8I104 T108I104-V106 HydrophobicContact CG2-CG2 3.84Å; I104-V106 PolarHBondContact O-N 3.04Å; V106-T108 VanDerWaalsContact C-N 3.28Å; V106-T108 PolarHBondContact O-N 3.3Å; V106-T108 PolarHBondContact O-OG1 2.94Å
107K52.3Low57.8Low190 Ų190135.1 Ų135.183%0.82669%0.693SS**  trans-63.299.4167.7-93.1-174.6171.8-177.50105.9K105 T109K105-K107 PolarHBondContact O-N 3.36Å; K107-T109 PolarHBondContact O-N 3.26Å
108T51.8Low58.4Low96 Ų96135.3 Ų135.359%0.58970%0.696SS**  trans-74.479.4174.8-51.30000107.9V106V106-T108 VanDerWaalsContact C-N 3.28Å; V106-T108 PolarHBondContact O-N 3.3Å; V106-T108 PolarHBondContact O-OG1 2.94Å
109T56.1Low59.2Low120 Ų120131.9 Ų131.974%0.73667%0.669SS**  trans-111.644.3172.4-45.30000109.1K107K107-T109 PolarHBondContact O-N 3.26Å
110E58.1Low60.2Low126 Ų126126.8 Ų126.859%0.58965%0.651SS**  trans-110.7109.1167.7-73.7-88.213000105.2L112E110-L112 PolarHBondContact O-N 3.14Å
111V65.8Low61.2Low139 Ų139129.1 Ų129.184%0.84266%0.655SS**PPolyproline II helixtrans-65.9127.6176.6178.30000107.4
112L63.7Low62.8Low121 Ų121128.2 Ų128.263%0.63466%0.657SS**PPolyproline II helixtrans-58.7136.5175.8-76.5166.8000109.2E110 H131E110-L112 PolarHBondContact O-N 3.14Å; L112-H131 HydrophobicContact CD2-CB 4.03Å
113P62.3Low64.2Low39 Ų39121.1 Ų121.125%0.25364%0.643SS.*PPolyproline II helixtrans-57.5146.2177.5-16.625.6000110.7V115 L119 S128P113-V115 PolarHBondContact O-N 2.93Å; P113-L119 HydrophobicContact CB-CD1 3.66Å; P113-L119 HydrophobicContact CG-CD1 3.49Å; P113-L119 VanDerWaalsContact CG-CD1 3.49Å; P113-S128 WeakPolarHBondContact CG-OG 3.23Å
114P65.6Low65.8Low85 Ų85113.8 Ų113.855%0.55262%0.615SS**PPolyproline II helixtrans-52.7134.9165.8-22.633.3000110D116 Q117P114-D116 PolarHBondContact O-N 2.97Å; P114-D116 VanDerWaalsContact O-N 3.15Å; P114-Q117 HydrophobicContact CB-CB 4.48Å; P114-Q117 PolarHBondContact O-N 3.41Å
115V63.4Low67.5Low88 Ų88110 Ų11053%0.53360%0.597SS.*THydrogen-bonded Turntrans-60.1-27.4-177.9178.40000111.6P113P113-V115 PolarHBondContact O-N 2.93Å
116D64.8Low69.2Low130 Ų130107.1 Ų107.170%0.69559%0.591SS**THydrogen-bonded Turntrans-89.7-12.3-170.5-49.1-57.6000114.2P114P114-D116 PolarHBondContact O-N 2.97Å; P114-D116 VanDerWaalsContact O-N 3.15Å
117Q69.8Low70.3Confident127 Ų127109.5 Ų109.559%0.59359%0.588SS**SBendtrans-94.3131.8-176.4-155.873.928.200110.8P114 L119 W132P114-Q117 HydrophobicContact CB-CB 4.48Å; P114-Q117 PolarHBondContact O-N 3.41Å; Q117-L119 PolarHBondContact O-N 2.92Å; Q117-W132 PolarHBondContact O-NE1 3.43Å
118P72.8Confident71.7Confident96 Ų96101.1 Ų101.162%0.62355%0.553SS**PPolyproline II helixtrans-61.1132.3168.525.8-33.6000110.1D120P118-D120 PolarHBondContact O-N 2.94Å
119L74.6Confident73.2Confident38 Ų38101.9 Ų101.920%0.19955%0.553CS.*PPolyproline II helixtrans-68.9116-173-146.170.7000110.9P113 Q117 R121 V124 S128 W132P113-L119 HydrophobicContact CB-CD1 3.66Å; P113-L119 HydrophobicContact CG-CD1 3.49Å; P113-L119 VanDerWaalsContact CG-CD1 3.49Å; Q117-L119 PolarHBondContact O-N 2.92Å; L119-R121 PolarHBondContact O-N 3.44Å; L119-V124 HydrophobicContact CB-CG2 4.14Å; L119-V124 HydrophobicContact CD2-CB 4.24Å; L119-V124 HydrophobicContact CD2-CG1 3.71Å; L119-V124 HydrophobicContact CD2-CG2 3.7Å; L119-V124 HydrophobicContact CG-CG2 3.75Å; L119-S128 VanDerWaalsContact CD1-OG 3.32Å; L119-S128 WeakPolarHBondContact CD1-OG 3.45Å; L119-S128 WeakPolarHBondContact CD2-OG 3.48Å; L119-W132 HydrophobicContact CB-CD2 4.41Å; L119-W132 HydrophobicContact CB-CG 4.37Å; L119-W132 HydrophobicContact CD1-CB 4.31Å; L119-W132 HydrophobicContact CD1-CG 4.03Å; L119-W132 HydrophobicContact CD2-CB 4.13Å; L119-W132 HydrophobicContact CD2-CG 4.31Å; L119-W132 HydrophobicContact CG-CG 4.48Å
120D79.7Confident74.4Confident94 Ų94102.5 Ų102.550%0.50355%0.551SS.*PPolyproline II helixtrans-66.6121.3-176.3164.741.7000111.5P118 A122 S123 V124P118-D120 PolarHBondContact O-N 2.94Å; D120-A122 PolarHBondContact O-N 3.08Å; D120-A122 PolarHBondContact OD1-N 2.9Å; D120-S123 PolarHBondContact O-N 3.39Å; D120-S123 PolarHBondContact O-OG 2.68Å; D120-S123 PolarHBondContact OD2-OG 2.8Å; D120-V124 WeakPolarHBondContact O-CG2 3.31Å; D120-V124 PolarHBondContact O-N 3.01Å; D120-V124 VanDerWaalsContact O-N 3.12Å
121R82.4Confident75.5Confident240 Ų240100.8 Ų100.891%0.90654%0.543SS*.THydrogen-bonded Turntrans-57.4-25.9-172.3-64.2-177.6-176.1171.51.9113.5L119L119-R121 PolarHBondContact O-N 3.44Å
122A82.9Confident76.1Confident97 Ų9798.1 Ų98.180%0.80252%0.518SS*.THydrogen-bonded Turntrans-81.2-26.4178.400000113.7D120D120-A122 PolarHBondContact O-N 3.08Å; D120-A122 PolarHBondContact OD1-N 2.9Å
123S81.4Confident76.8Confident81 Ų8194.9 Ų94.957%0.56650%0.503SS*.THydrogen-bonded Turntrans-110.52.2-175.556.70000114.5D120 T125D120-S123 PolarHBondContact O-N 3.39Å; D120-S123 PolarHBondContact O-OG 2.68Å; D120-S123 PolarHBondContact OD2-OG 2.8Å; S123-T125 PolarHBondContact O-N 2.78Å
124V81.9Confident77.4Confident44 Ų4495.2 Ų95.227%0.26751%0.505SS..  trans-63.8107.3178.1-179.70000112.2L119 D120 L129L119-V124 HydrophobicContact CB-CG2 4.14Å; L119-V124 HydrophobicContact CD2-CB 4.24Å; L119-V124 HydrophobicContact CD2-CG1 3.71Å; L119-V124 HydrophobicContact CD2-CG2 3.7Å; L119-V124 HydrophobicContact CG-CG2 3.75Å; D120-V124 WeakPolarHBondContact O-CG2 3.31Å; D120-V124 PolarHBondContact O-N 3.01Å; D120-V124 VanDerWaalsContact O-N 3.12Å; V124-L129 HydrophobicContact CG1-CB 3.91Å; V124-L129 HydrophobicContact CG1-CD1 3.54Å; V124-L129 HydrophobicContact CG1-CG 3.55Å
125T85.4Confident77.6Confident54 Ų5495.5 Ų95.533%0.33151%0.506SS..  trans-77.9150.216168.50000110.6S123 R127 S128 L129S123-T125 PolarHBondContact O-N 2.78Å; T125-R127 PolarHBondContact O-N 2.81Å; T125-R127 VanDerWaalsContact O-N 3.11Å; T125-S128 WeakPolarHBondContact O-CA 3.46Å; T125-S128 VanDerWaalsContact O-CB 3.26Å; T125-S128 WeakPolarHBondContact O-CB 3.38Å; T125-S128 PolarHBondContact O-N 3.33Å; T125-S128 VanDerWaalsContact OG1-CB 3.3Å; T125-S128 WeakPolarHBondContact OG1-CB 3.34Å; T125-S128 PolarHBondContact OG1-N 3.16Å; T125-S128 VanDerWaalsContact OG1-N 3.17Å; T125-L129 PolarHBondContact O-N 3.31Å
126L85.2Confident78.1Confident138 Ų13898.4 Ų98.472%0.72352%0.518SS*.Hα-helixtrans-54.4-33.7175.7179.264.4000112.1L129 L130L126-L129 WeakPolarHBondContact O-CB 3.47Å; L126-L129 PolarHBondContact O-N 3.13Å; L126-L130 WeakPolarHBondContact O-CB 3.36Å; L126-L130 PolarHBondContact O-N 2.84Å
127R77Confident78.6Confident156 Ų156100.1 Ų100.159%0.58952%0.519SS*.Hα-helixtrans-70-39.8177.4-169.3174.8-171.897.14.9112.1T125 L130 H131T125-R127 PolarHBondContact O-N 2.81Å; T125-R127 VanDerWaalsContact O-N 3.11Å; R127-L130 PolarHBondContact O-N 3.17Å; R127-H131 PolarHBondContact O-CD2 3.22Å; R127-H131 PolarHBondContact O-N 3.34Å
128S81Confident78.6Confident14 Ų1498.4 Ų98.410%0.09852%0.52CS..Hα-helixtrans-60-47.7171.6-172.70000110.9P113 L119 T125 L130 H131 W132P113-S128 WeakPolarHBondContact CG-OG 3.23Å; L119-S128 VanDerWaalsContact CD1-OG 3.32Å; L119-S128 WeakPolarHBondContact CD1-OG 3.45Å; L119-S128 WeakPolarHBondContact CD2-OG 3.48Å; T125-S128 WeakPolarHBondContact O-CA 3.46Å; T125-S128 VanDerWaalsContact O-CB 3.26Å; T125-S128 WeakPolarHBondContact O-CB 3.38Å; T125-S128 PolarHBondContact O-N 3.33Å; T125-S128 VanDerWaalsContact OG1-CB 3.3Å; T125-S128 WeakPolarHBondContact OG1-CB 3.34Å; T125-S128 PolarHBondContact OG1-N 3.16Å; T125-S128 VanDerWaalsContact OG1-N 3.17Å; S128-L130 VanDerWaalsContact C-N 3.26Å; S128-L130 PolarHBondContact O-N 2.99Å; S128-H131 PolarHBondContact O-N 3.17Å; S128-H131 VanDerWaalsContact O-N 3.15Å; S128-W132 WeakPolarHBondContact O-CB 3.43Å; S128-W132 PolarHBondContact O-N 2.87Å
129L84.2Confident78.4Confident112 Ų11295.4 Ų95.459%0.58650%0.5SS*.Hα-helixtrans-56.8-34.2173.7-124167.8000113.6V124 T125 L126V124-L129 HydrophobicContact CG1-CB 3.91Å; V124-L129 HydrophobicContact CG1-CD1 3.54Å; V124-L129 HydrophobicContact CG1-CG 3.55Å; T125-L129 PolarHBondContact O-N 3.31Å; L126-L129 WeakPolarHBondContact O-CB 3.47Å; L126-L129 PolarHBondContact O-N 3.13Å
130L81.5Confident78.1Confident133 Ų13396.9 Ų96.970%0.69651%0.512SS*.Hα-helixtrans-81.1-16.8-178-146.3124.7000113.8L126 R127 S128L126-L130 WeakPolarHBondContact O-CB 3.36Å; L126-L130 PolarHBondContact O-N 2.84Å; R127-L130 PolarHBondContact O-N 3.17Å; S128-L130 VanDerWaalsContact C-N 3.26Å; S128-L130 PolarHBondContact O-N 2.99Å
131H80.8Confident77.6Confident90 Ų9097.3 Ų97.342%0.41752%0.518SS..Hα-helixtrans-114.5-16.6-178.1-68.6-54.4000114.2L112 R127 S128 V133L112-H131 HydrophobicContact CD2-CB 4.03Å; R127-H131 PolarHBondContact O-CD2 3.22Å; R127-H131 PolarHBondContact O-N 3.34Å; S128-H131 PolarHBondContact O-N 3.17Å; S128-H131 VanDerWaalsContact O-N 3.15Å; H131-V133 PolarHBondContact O-N 3.01Å
132W78.3Confident77.1Confident84 Ų8493.7 Ų93.732%0.31851%0.505SS..  trans-68126.9176.9-172.380.4000111.3Q117 L119 S128 P134Q117-W132 PolarHBondContact O-NE1 3.43Å; L119-W132 HydrophobicContact CB-CD2 4.41Å; L119-W132 HydrophobicContact CB-CG 4.37Å; L119-W132 HydrophobicContact CD1-CB 4.31Å; L119-W132 HydrophobicContact CD1-CG 4.03Å; L119-W132 HydrophobicContact CD2-CB 4.13Å; L119-W132 HydrophobicContact CD2-CG 4.31Å; L119-W132 HydrophobicContact CG-CG 4.48Å; S128-W132 WeakPolarHBondContact O-CB 3.43Å; S128-W132 PolarHBondContact O-N 2.87Å; W132-P134 HydrophobicContact CE3-CB 4.37Å; W132-P134 HydrophobicContact CE3-CG 4.37Å; W132-P134 HydrophobicContact CH2-CB 3.59Å; W132-P134 HydrophobicContact CH2-CG 4.38Å; W132-P134 HydrophobicContact CZ2-CB 4.43Å; W132-P134 HydrophobicContact CZ3-CB 3.56Å; W132-P134 HydrophobicContact CZ3-CG 3.82Å
133V78.2Confident75.9Confident53 Ų5395.9 Ų95.932%0.32149%0.493SS..  trans-112.9111.5178.6174.70000108.1H131 T135H131-V133 PolarHBondContact O-N 3.01Å; V133-T135 PolarHBondContact O-N 3.22Å
134P74.5Confident74.9Confident45 Ų4596.4 Ų96.429%0.29249%0.486SS..  trans-62.3128.9172.719.8-26.7000110.4W132 N136 K137W132-P134 HydrophobicContact CE3-CB 4.37Å; W132-P134 HydrophobicContact CE3-CG 4.37Å; W132-P134 HydrophobicContact CH2-CB 3.59Å; W132-P134 HydrophobicContact CH2-CG 4.38Å; W132-P134 HydrophobicContact CZ2-CB 4.43Å; W132-P134 HydrophobicContact CZ3-CB 3.56Å; W132-P134 HydrophobicContact CZ3-CG 3.82Å; P134-N136 PolarHBondContact O-N 3.39Å; P134-N136 VanDerWaalsContact O-N 3.09Å; P134-K137 HydrophobicContact CG-CB 4.27Å; P134-K137 CarbonylContact O-C 3.56Å; P134-K137 PolarHBondContact O-N 3.01Å
135T69.8Low73.7Confident91 Ų91101.1 Ų101.156%0.55851%0.506SS*.THydrogen-bonded Turntrans-49.3-37.517852.30000113.3V133 K137V133-T135 PolarHBondContact O-N 3.22Å; T135-K137 VanDerWaalsContact C-N 3.28Å; T135-K137 PolarHBondContact O-N 3.49Å
136N74Confident72.3Confident149 Ų149107.8 Ų107.880%0.79753%0.525SS*.THydrogen-bonded Turntrans-73.8-9.7-180-62.8-22.3000114.8P134P134-N136 PolarHBondContact O-N 3.39Å; P134-N136 VanDerWaalsContact O-N 3.09Å
137K75Confident70.9Confident166 Ų166106.3 Ų106.372%0.72252%0.517SS*.SBendtrans-144.177.3-179.4-64.2-172.8-179.4-1770110.4P134 T135P134-K137 HydrophobicContact CG-CB 4.27Å; P134-K137 CarbonylContact O-C 3.56Å; P134-K137 PolarHBondContact O-N 3.01Å; T135-K137 VanDerWaalsContact C-N 3.28Å; T135-K137 PolarHBondContact O-N 3.49Å
138P70.9Confident69.7Low92 Ų92104.8 Ų104.860%0.59752%0.52SS*.PPolyproline II helixtrans-55.7149.3171.625.2-34.8000110.6
139P68.9Low68.3Low33 Ų33108.6 Ų108.621%0.21455%0.547CS..PPolyproline II helixtrans-61137.8179.326.5-34.9000109.9T141 R143P139-T141 PolarHBondContact O-N 2.9Å; P139-R143 HydrophobicContact CB-CB 4Å
140P67.7Low66.8Low69 Ų69108.7 Ų108.745%0.44855%0.553SS.*PPolyproline II helixtrans-56.1141.3176.424-34.8000110.4Y142 R143P140-Y142 HydrophobicContact CB-CD1 3.94Å; P140-Y142 HydrophobicContact CB-CE1 3.83Å; P140-Y142 HydrophobicContact CG-CD1 3.99Å; P140-Y142 HydrophobicContact CG-CE1 3.43Å; P140-Y142 VanDerWaalsContact CG-CE1 3.43Å; P140-Y142 PolarHBondContact O-N 2.84Å; P140-R143 PolarHBondContact O-N 2.75Å
141T68.5Low65.1Low103 Ų103107.7 Ų107.763%0.63255%0.552SS**THydrogen-bonded Turntrans-49.6-35.1-161.6-39.50000114.5P139 R143 Q144P139-T141 PolarHBondContact O-N 2.9Å; T141-R143 PolarHBondContact O-N 2.99Å; T141-Q144 WeakPolarHBondContact O-CB 3.24Å; T141-Q144 PolarHBondContact O-N 2.82Å
142Y71.6Confident62.7Low163 Ų163108.8 Ų108.864%0.63957%0.569SS**Hα-helixtrans-58.3-20.217781.4-96.9000114.7P140P140-Y142 HydrophobicContact CB-CD1 3.94Å; P140-Y142 HydrophobicContact CB-CE1 3.83Å; P140-Y142 HydrophobicContact CG-CD1 3.99Å; P140-Y142 HydrophobicContact CG-CE1 3.43Å; P140-Y142 VanDerWaalsContact CG-CE1 3.43Å; P140-Y142 PolarHBondContact O-N 2.84Å
143R59.3Low60.6Low144 Ų144110 Ų11054%0.54359%0.59SS.*Hα-helixtrans-78.8-28.8174.1-102.5-176.3177.7164.30.1113.1P139 P140 T141 R146 L147P139-R143 HydrophobicContact CB-CB 4Å; P140-R143 PolarHBondContact O-N 2.75Å; T141-R143 PolarHBondContact O-N 2.99Å; R143-R146 PolarHBondContact O-N 2.97Å; R143-L147 PolarHBondContact O-N 2.89Å
144Q59.3Low58.6Low91 Ų91116 Ų11643%0.42562%0.619SS.*Hα-helixtrans-65.9-41.9-177.2-67.3178.1-25.700111.1T141 R146 L147 N148T141-Q144 WeakPolarHBondContact O-CB 3.24Å; T141-Q144 PolarHBondContact O-N 2.82Å; Q144-R146 PolarHBondContact O-N 2.96Å; Q144-L147 PolarHBondContact O-N 3.09Å; Q144-L147 VanDerWaalsContact O-N 3.13Å; Q144-N148 PolarHBondContact O-N 3.19Å; Q144-N148 VanDerWaalsContact O-N 3.11Å; Q144-N148 PolarHBondContact O-OD1 3.33Å
145E56Low56.8Low143 Ų143118.8 Ų118.867%0.66864%0.639SS**Hα-helixtrans-55.2-36.4175.1-62.1-175.4164.500112.5S149E145-S149 WeakPolarHBondContact O-CB 3.43Å; E145-S149 PolarHBondContact O-N 3.11Å; E145-S149 PolarHBondContact O-OG 2.84Å
146R56.7Low55.3Low195 Ų195120 Ų12074%0.73665%0.651SS**Hα-helixtrans-76.9-30-178.4-155.3172.7-167.1143.61.3113.4R143 Q144 T150R143-R146 PolarHBondContact O-N 2.97Å; Q144-R146 PolarHBondContact O-N 2.96Å; R146-T150 PolarHBondContact O-OG1 3.38Å
147L56.4Low53.6Low107 Ų107120.4 Ų120.456%0.5665%0.654SS**Hα-helixtrans-73.1-46.1175.5-67.6174.3000110.7R143 Q144 S149 T150R143-L147 PolarHBondContact O-N 2.89Å; Q144-L147 PolarHBondContact O-N 3.09Å; Q144-L147 VanDerWaalsContact O-N 3.13Å; L147-S149 PolarHBondContact O-N 2.88Å; L147-T150 PolarHBondContact O-N 3.05Å
148N51.9Low52.2Low123 Ų123119.4 Ų119.466%0.65866%0.661SS**Hα-helixtrans-61.9-30.8178.4-61.51.5000112.1Q144 T150Q144-N148 PolarHBondContact O-N 3.19Å; Q144-N148 VanDerWaalsContact O-N 3.11Å; Q144-N148 PolarHBondContact O-OD1 3.33Å; N148-T150 PolarHBondContact O-N 3.33Å
149S51.1Low50.7Low94 Ų94123.2 Ų123.266%0.65767%0.671SS**THydrogen-bonded Turntrans-70.4-12.8176-60.40000114.7E145 L147E145-S149 WeakPolarHBondContact O-CB 3.43Å; E145-S149 PolarHBondContact O-N 3.11Å; E145-S149 PolarHBondContact O-OG 2.84Å; L147-S149 PolarHBondContact O-N 2.88Å
150T53Low49.2Very low115 Ų115125.8 Ų125.871%0.70670%0.695SS**THydrogen-bonded Turntrans-106.5-11.6-167.9-53.20000113.6R146 L147 N148R146-T150 PolarHBondContact O-OG1 3.38Å; L147-T150 PolarHBondContact O-N 3.05Å; N148-T150 PolarHBondContact O-N 3.33Å
151T44.6Very low47.8Very low112 Ų112128.5 Ų128.569%0.68772%0.716SS**SBendtrans-105.8-8-170.646.30000115.8
152C31.4Very low46.3Very low113 Ų113130.4 Ų130.476%0.76472%0.722SS**SBendtrans-127.774-175.4-69.20000113.5
153S32.8Very low45.2Very low108 Ų108131.1 Ų131.176%0.75573%0.731SS**  trans-169.869.5157.515.70000111
154L36.3Very low44.2Very low181 Ų181129.4 Ų129.495%0.94873%0.733SS**  trans-113.153.1175-108.9168.9000110.8
155S36.5Very low43.4Very low102 Ų102133.3 Ų133.371%0.71376%0.756SS**  trans-170.1149.3173.650.40000112.3
156S39.1Very low42.7Very low116 Ų116134 Ų13481%0.81176%0.756SS**  trans78.1133175.474.60000118.1
157D37.6Very low41.9Very low159 Ų159129.7 Ų129.785%0.8576%0.756SS**  trans-97.3132.9-172-44.6-98.2000111.5
158V47.3Very low41.4Very low144 Ų144131.7 Ų131.787%0.87376%0.762SS**  trans-145.7135.7157-167.90000111.8
159E38.4Very low40.6Very low172 Ų172132.9 Ų132.980%0.80477%0.769SS**  trans-27.7139.4169.1-75.5-86.311700119.9
160A37.8Very low40.1Very low88 Ų88133.9 Ų133.973%0.72777%0.767SS**  trans10.7122.8142.700000121.4
161S37.8Very low39.5Very low126 Ų126135.5 Ų135.588%0.88177%0.771SS**  -150.3130125.356.70000111.4
162D36.9Very low39.1Very low142 Ų142136.5 Ų136.576%0.75978%0.777SS**  trans-89.5143.5-174.2-175.411.8000111.6D164D162-D164 PolarHBondContact OD1-N 3.05Å
163H47.9Very low39.5Very low179 Ų179139.4 Ų139.483%0.82978%0.78SS**  trans-154.966169.4-106.8-49.6000113.4L165H163-L165 PolarHBondContact O-N 3.08Å
164D38.6Very low39.6Very low107 Ų107140.3 Ų140.357%0.57278%0.78SS**  trans22.692.3137.3-151.514.7000116.9D162 K166D162-D164 PolarHBondContact OD1-N 3.05Å; D164-K166 PolarHBondContact O-N 2.72Å; D164-K166 IonicContact OD1-NZ 3.01Å; D164-K166 PolarHBondContact OD1-NZ 3.47Å; D164-K166 IonicContact OD2-NZ 3.16Å; D164-K166 PolarHBondContact OD2-NZ 3.42Å
165L43.1Very low39.7Very low174 Ų174137.2 Ų137.291%0.91177%0.771SS**  trans-85.185.8166.4-76.5172000110.2H163 S167H163-L165 PolarHBondContact O-N 3.08Å; L165-S167 PolarHBondContact O-N 3.34Å
166K42.4Very low39.5Very low157 Ų157137.7 Ų137.768%0.68377%0.766SS**  trans-80.2104.2166.8-81.2-179.1173.762.90110.8D164 H168D164-K166 PolarHBondContact O-N 2.72Å; D164-K166 IonicContact OD1-NZ 3.01Å; D164-K166 PolarHBondContact OD1-NZ 3.47Å; D164-K166 IonicContact OD2-NZ 3.16Å; D164-K166 PolarHBondContact OD2-NZ 3.42Å; K166-H168 PolarHBondContact O-N 3.18Å
167S39.1Very low39.7Very low105 Ų105140.6 Ų140.673%0.73477%0.771SS**  trans-56.8126.8157.847.40000109.2L165L165-S167 PolarHBondContact O-N 3.34Å
168H44.8Very low40.1Very low149 Ų149140.2 Ų140.269%0.6976%0.762SS**  trans-118.791.7169.9-149.6-52000107.5K166 N170K166-H168 PolarHBondContact O-N 3.18Å; H168-N170 PolarHBondContact CE1-OD1 3.44Å; H168-N170 PolarHBondContact ND1-ND2 3.3Å; H168-N170 PolarHBondContact ND1-OD1 3.46Å; H168-N170 PolarHBondContact O-N 3.46Å; H168-N170 PolarHBondContact O-ND2 2.87Å
169D35.5Very low39.6Very low148 Ų148142.2 Ų142.279%0.79176%0.762SS**  trans-57.6120.5163.2-63.2-50.3000107
170N41.4Very low39.4Very low114 Ų114141.5 Ų141.561%0.6176%0.764SS**  trans-129.2119.9168.5-72.6-63000105.8H168 T172H168-N170 PolarHBondContact CE1-OD1 3.44Å; H168-N170 PolarHBondContact ND1-ND2 3.3Å; H168-N170 PolarHBondContact ND1-OD1 3.46Å; H168-N170 PolarHBondContact O-N 3.46Å; H168-N170 PolarHBondContact O-ND2 2.87Å; N170-T172 PolarHBondContact O-N 2.72Å; N170-T172 VanDerWaalsContact O-N 3.15Å
171N39.6Very low39.6Very low150 Ų150142.2 Ų142.280%0.80276%0.763SS**  trans-53.1120.2177.5-67.9-30.3000109.6E173N171-E173 VanDerWaalsContact C-N 3.28Å; N171-E173 PolarHBondContact O-N 2.97Å
172T36.5Very low39.6Very low132 Ų132140.3 Ų140.381%0.8176%0.755SS**  trans-76.389164.1-58.50000106.9N170 T174N170-T172 PolarHBondContact O-N 2.72Å; N170-T172 VanDerWaalsContact O-N 3.15Å; T172-T174 PolarHBondContact O-N 2.75Å; T172-T174 VanDerWaalsContact O-N 3.12Å
173E39.3Very low39.4Very low175 Ų175143.5 Ų143.582%0.81876%0.762SS**  trans-62111.7166.6-70.6177.8164.200108.1N171N171-E173 VanDerWaalsContact C-N 3.28Å; N171-E173 PolarHBondContact O-N 2.97Å
174T36.5Very low38.5Very low126 Ų126140.6 Ų140.677%0.77376%0.761SS**  trans-66.9123.8176.943.40000109.9T172T172-T174 PolarHBondContact O-N 2.75Å; T172-T174 VanDerWaalsContact O-N 3.12Å
175P38.1Very low38.3Very low116 Ų116140.9 Ų140.975%0.75377%0.771SS**  trans-79.1134.6-179.831.1-33.7000112.1
176D32.1Very low37.9Very low113 Ų113138.6 Ų138.660%0.60477%0.769SS**  trans37.788.8151.1-69.1-1000118.6K178D176-K178 HydrophobicContact CB-CD 4.48Å; D176-K178 HydrophobicContact CB-CG 4.29Å; D176-K178 PolarHBondContact O-N 2.91Å; D176-K178 VanDerWaalsContact OD2-CE 3.31Å; D176-K178 WeakPolarHBondContact OD2-CE 3.44Å; D176-K178 IonicContact OD2-NZ 2.73Å; D176-K178 PolarHBondContact OD2-NZ 2.89Å
177L44Very low37.7Very low176 Ų176135.3 Ų135.392%0.92177%0.766SS**  trans-84.288140.3-73.3-178.9000108.5E179L177-E179 PolarHBondContact O-N 3.27Å
178K44.9Very low37.9Very low151 Ų151137 Ų13766%0.65777%0.767SS**  trans-74.3103.1170.2-83.3169.6171.5141.10109.5D176 N180D176-K178 HydrophobicContact CB-CD 4.48Å; D176-K178 HydrophobicContact CB-CG 4.29Å; D176-K178 PolarHBondContact O-N 2.91Å; D176-K178 VanDerWaalsContact OD2-CE 3.31Å; D176-K178 WeakPolarHBondContact OD2-CE 3.44Å; D176-K178 IonicContact OD2-NZ 2.73Å; D176-K178 PolarHBondContact OD2-NZ 2.89Å; K178-N180 VanDerWaalsContact C-N 3.33Å; K178-N180 PolarHBondContact O-N 3.1Å
179E36.3Very low38.2Very low187 Ų187135.7 Ų135.787%0.87477%0.769SS**  trans-62.489.2171.3-66.3-175.8148.400111.1L177 S181L177-E179 PolarHBondContact O-N 3.27Å; E179-S181 PolarHBondContact O-N 3.34Å
180N36Very low39.2Very low157 Ų157140.3 Ų140.384%0.8478%0.777SS**  trans-91.362.3160.9-72.8-53.3000109.1K178K178-N180 VanDerWaalsContact C-N 3.33Å; K178-N180 PolarHBondContact O-N 3.1Å
181S39.9Very low40.4Very low103 Ų103137.9 Ų137.972%0.7277%0.77SS**  trans-79.3119.4166.9-173.90000109.1E179 K183E179-S181 PolarHBondContact O-N 3.34Å; S181-K183 PolarHBondContact O-N 3.25Å; S181-K183 VanDerWaalsContact O-N 3.13Å
182A39.4Very low42.3Very low85 Ų85135.3 Ų135.370%0.70276%0.756SS**  trans-74.2104.6-178.500000111.1C184A182-C184 PolarHBondContact O-N 3.23Å; A182-C184 VanDerWaalsContact O-N 3.09Å
183K31.5Very low44.2Very low209 Ų209133.1 Ų133.191%0.90974%0.744SS**  trans43.557.5142.5-163.279.2177.4-1780115.3S181S181-K183 PolarHBondContact O-N 3.25Å; S181-K183 VanDerWaalsContact O-N 3.13Å
184C29.2Very low46.2Very low118 Ų118130.4 Ų130.480%0.79773%0.734SS**  trans-80.4137.9166.1-74.10000111A182A182-C184 PolarHBondContact O-N 3.23Å; A182-C184 VanDerWaalsContact O-N 3.09Å
185S34.1Very low48.7Very low114 Ų114126.2 Ų126.280%0.79771%0.713SS**  trans-66.1144.6179.342.60000112.2S187S185-S187 PolarHBondContact O-N 3.11Å; S185-S187 VanDerWaalsContact O-N 3.11Å
186S35.9Very low51.2Low125 Ų125124.9 Ų124.987%0.87470%0.704SS**SBendtrans-77.788.3-178.153.90000113.2
187S37.4Very low54Low88 Ų88122.4 Ų122.462%0.61569%0.688SS**  trans-165.8154.7141.568.30000110.9S185S185-S187 PolarHBondContact O-N 3.11Å; S185-S187 VanDerWaalsContact O-N 3.11Å
188D43Very low56.4Low141 Ų141119.8 Ų119.875%0.75468%0.675SS**SBendtrans72.3107.4158.4-46.8-46.8000120.2
189V51.3Low58.6Low121 Ų121119 Ų11973%0.73367%0.668SS**  trans54.6102.9152.7-162.30000118.3S191V189-S191 PolarHBondContact O-N 2.73Å
190Y57Low61.4Low245 Ų245115.9 Ų115.996%0.96166%0.656SS**  trans-65.489.7161.1-83.9-96.1000111
191S66.3Low64Low64 Ų64110.7 Ų110.745%0.44863%0.628SS.*  trans-90.6116.1168.8-62.60000110.2V189 P193V189-S191 PolarHBondContact O-N 2.73Å; S191-P193 WeakPolarHBondContact O-CD 3.37Å
192D78.9Confident66.5Low95 Ų95111 Ų11151%0.50864%0.637SS.*  trans-66.1120.4173.3-177.5-6.6000109.5L194 A195 Q197D192-L194 PolarHBondContact O-N 2.84Å; D192-L194 VanDerWaalsContact OD1-CB 3.31Å; D192-L194 WeakPolarHBondContact OD1-CB 3.45Å; D192-L194 PolarHBondContact OD1-N 3.14Å; D192-A195 HydrophobicContact CB-CB 4.05Å; D192-A195 PolarHBondContact O-N 2.87Å; D192-Q197 PolarHBondContact O-NE2 2.86Å
193P76.8Confident69Low86 Ų86113.4 Ų113.456%0.55864%0.638SS**THydrogen-bonded Turntrans-72.2-4.2178.632.3-37.7000113.7S191S191-P193 WeakPolarHBondContact O-CD 3.37Å
194L82.7Confident71.9Confident119 Ų119106.1 Ų106.162%0.62362%0.622SS**THydrogen-bonded Turntrans-97.1-10.7174.7-142.977.1000113D192 V215D192-L194 PolarHBondContact O-N 2.84Å; D192-L194 VanDerWaalsContact OD1-CB 3.31Å; D192-L194 WeakPolarHBondContact OD1-CB 3.45Å; D192-L194 PolarHBondContact OD1-N 3.14Å; L194-V215 HydrophobicContact CD1-CG1 3.52Å; L194-V215 HydrophobicContact CG-CG1 4.3Å
195A87.6Confident74.9Confident38 Ų38104.9 Ų104.931%0.31461%0.608SS.*SBendtrans-102.5151.2178.100000110.9D192 Q197 S212D192-A195 HydrophobicContact CB-CB 4.05Å; D192-A195 PolarHBondContact O-N 2.87Å; A195-Q197 PolarHBondContact O-N 3.02Å; A195-S212 PolarHBondContact O-OG 3.4Å; A195-S212 VanDerWaalsContact O-OG 3.05Å
196P91Very high77.7Confident87 Ų87105.6 Ų105.657%0.56560%0.601SS**PPolyproline II helixtrans-62.3127.9173-2233.7000112.1L208 L213P196-L208 HydrophobicContact CB-CD1 4.2Å; P196-L213 HydrophobicContact CB-CD2 4.39Å
197Q91.9Very high80.5Confident61 Ų61103 Ų10329%0.28558%0.58SS.*PPolyproline II helixtrans-102.4151.5-177.6-63.1178.410.500112.1D192 A195 D209 S212D192-Q197 PolarHBondContact O-NE2 2.86Å; A195-Q197 PolarHBondContact O-N 3.02Å; Q197-D209 PolarHBondContact O-N 3.48Å; Q197-S212 WeakPolarHBondContact CB-OG 3.42Å; Q197-S212 WeakPolarHBondContact CG-OG 3.49Å; Q197-S212 PolarHBondContact N-OG 3.45Å
198L92.9Very high83.1Confident121 Ų121102.3 Ų102.363%0.63457%0.569SS**EExtended strand (participates in β ladder)trans-107144.4175.2-58.2178.7000109.9I206 V207 L208L198-I206 HydrophobicContact CB-CG2 4.04Å; L198-I206 HydrophobicContact CD1-CG2 3.88Å; L198-I206 HydrophobicContact CG-CG2 4.42Å; L198-V207 WeakPolarHBondContact CA-O 3.21Å; L198-L208 HydrophobicContact CD2-CB 4.34Å; L198-L208 HydrophobicContact CD2-CD1 3.82Å
199R91.6Very high85.4Confident136 Ų13696.5 Ų96.551%0.51354%0.538SS..EExtended strand (participates in β ladder)trans-128151.7178.1-178.4169.166.1-150.32.6109.6V207 D209R199-V207 PolarHBondContact N-O 3.07Å; R199-V207 PolarHBondContact O-N 2.88Å; R199-D209 HydrophobicContact CB-CB 4.39Å; R199-D209 IonicContact CZ-OD1 3.76Å; R199-D209 IonicContact CZ-OD2 3.52Å; R199-D209 IonicContact NE-OD2 3.95Å; R199-D209 IonicContact NH1-OD1 3.19Å; R199-D209 PolarHBondContact NH1-OD1 2.93Å; R199-D209 IonicContact NH1-OD2 2.79Å; R199-D209 PolarHBondContact NH1-OD2 3.46Å; R199-D209 IonicContact NH2-OD1 3.93Å
200I94.5Very high87.2Confident120 Ų12098.2 Ų98.262%0.61554%0.538SS*.EExtended strand (participates in β ladder)trans-90.4130.3174-54.6176.8000108.4N205I200-N205 CarbonylContact C-O 3.57Å; I200-N205 WeakPolarHBondContact CA-O 3.5Å
201D91.9Very high88.6Confident48 Ų4891.3 Ų91.326%0.25752%0.521SS..  trans-75.2171.9175.582.1-3.5000112N203 G204 N205 V207D201-N203 PolarHBondContact O-N 3.25Å; D201-N203 VanDerWaalsContact O-N 3.09Å; D201-N203 VanDerWaalsContact OD1-C 3.27Å; D201-N203 VanDerWaalsContact OD1-CA 3.27Å; D201-N203 WeakPolarHBondContact OD1-CA 3.29Å; D201-N203 WeakPolarHBondContact OD1-CB 3.35Å; D201-N203 PolarHBondContact OD1-N 2.96Å; D201-N203 PolarHBondContact OD2-ND2 3.17Å; D201-G204 PolarHBondContact O-N 2.74Å; D201-G204 VanDerWaalsContact O-N 3.12Å; D201-G204 PolarHBondContact OD1-N 3.04Å; D201-N205 PolarHBondContact N-O 3.12Å; D201-N205 PolarHBondContact OD1-N 3.43Å; D201-N205 PolarHBondContact OD1-ND2 3.1Å; D201-N205 PolarHBondContact OD2-ND2 3.1Å; D201-V207 HydrophobicContact CB-CG2 3.95Å
202A92Very high89.7Confident111 Ų11189 Ų8992%0.91751%0.505SS*.THydrogen-bonded Turntrans-65.3-10.6178.400000114.2
203N91.5Very high90Very high134 Ų13489.2 Ų89.272%0.71751%0.506SS*.THydrogen-bonded Turntrans-99-3.5178.6-47.5-57.2000112.3D201D201-N203 PolarHBondContact O-N 3.25Å; D201-N203 VanDerWaalsContact O-N 3.09Å; D201-N203 VanDerWaalsContact OD1-C 3.27Å; D201-N203 VanDerWaalsContact OD1-CA 3.27Å; D201-N203 WeakPolarHBondContact OD1-CA 3.29Å; D201-N203 WeakPolarHBondContact OD1-CB 3.35Å; D201-N203 PolarHBondContact OD1-N 2.96Å; D201-N203 PolarHBondContact OD2-ND2 3.17Å
204G92.8Very high90.5Very high56 Ų5691.7 Ų91.758%0.57751%0.513SS*.SBendtrans89.56.4-177.700000115.4D201D201-G204 PolarHBondContact O-N 2.74Å; D201-G204 VanDerWaalsContact O-N 3.12Å; D201-G204 PolarHBondContact OD1-N 3.04Å
205N92.9Very high90.5Very high92 Ų9289.5 Ų89.549%0.49251%0.505SS..  trans-81.7147.9176.8-52.3-60.4000111.4I200 D201 V207I200-N205 CarbonylContact C-O 3.57Å; I200-N205 WeakPolarHBondContact CA-O 3.5Å; D201-N205 PolarHBondContact N-O 3.12Å; D201-N205 PolarHBondContact OD1-N 3.43Å; D201-N205 PolarHBondContact OD1-ND2 3.1Å; D201-N205 PolarHBondContact OD2-ND2 3.1Å; N205-V207 HydrophobicContact CB-CG2 4.38Å
206I92.7Very high90.1Very high130 Ų13095.9 Ų95.967%0.66753%0.528SS*.EExtended strand (participates in β ladder)trans-83.1119.4172.4-55.9173.1000108.7L198L198-I206 HydrophobicContact CB-CG2 4.04Å; L198-I206 HydrophobicContact CD1-CG2 3.88Å; L198-I206 HydrophobicContact CG-CG2 4.42Å
207V93.9Very high89.4Confident69 Ų69100.5 Ų100.542%0.41854%0.539SS..EExtended strand (participates in β ladder)trans-126.3149.7-176.7-177.10000109.6L198 R199 D201 N205L198-V207 WeakPolarHBondContact CA-O 3.21Å; R199-V207 PolarHBondContact N-O 3.07Å; R199-V207 PolarHBondContact O-N 2.88Å; D201-V207 HydrophobicContact CB-CG2 3.95Å; N205-V207 HydrophobicContact CB-CG2 4.38Å
208L91.9Very high88.4Confident75 Ų75105.6 Ų105.639%0.39356%0.556SS.*EExtended strand (participates in β ladder)trans-71.3135175.9-17563.3000110.6P196 L198 E210 L213P196-L208 HydrophobicContact CB-CD1 4.2Å; L198-L208 HydrophobicContact CD2-CB 4.34Å; L198-L208 HydrophobicContact CD2-CD1 3.82Å; L208-E210 PolarHBondContact O-N 3.44Å; L208-L213 HydrophobicContact CD2-CD1 3.91Å; L208-L213 HydrophobicContact CD2-CD2 4.23Å; L208-L213 HydrophobicContact CD2-CG 4.31Å; L208-L213 HydrophobicContact CG-CD1 4.45Å
209D90.8Very high87.2Confident19 Ų19106.2 Ų106.210%0.10256%0.56CS.*  trans-80.3105.5173.8-161.5-29.4000110.2Q197 R199 T211 S212Q197-D209 PolarHBondContact O-N 3.48Å; R199-D209 HydrophobicContact CB-CB 4.39Å; R199-D209 IonicContact CZ-OD1 3.76Å; R199-D209 IonicContact CZ-OD2 3.52Å; R199-D209 IonicContact NE-OD2 3.95Å; R199-D209 IonicContact NH1-OD1 3.19Å; R199-D209 PolarHBondContact NH1-OD1 2.93Å; R199-D209 IonicContact NH1-OD2 2.79Å; R199-D209 PolarHBondContact NH1-OD2 3.46Å; R199-D209 IonicContact NH2-OD1 3.93Å; D209-T211 VanDerWaalsContact CG-OG1 3.3Å; D209-T211 PolarHBondContact O-N 3.04Å; D209-T211 VanDerWaalsContact O-N 3.16Å; D209-T211 WeakPolarHBondContact OD1-CB 3.44Å; D209-T211 PolarHBondContact OD1-N 2.93Å; D209-T211 PolarHBondContact OD1-OG1 3.41Å; D209-S212 WeakPolarHBondContact O-CB 3.38Å; D209-S212 PolarHBondContact O-N 3.46Å
210E90Very high85.6Confident156 Ų156106.3 Ų106.373%0.72957%0.571SS**G310 helixtrans-56.4-29.5178.6-61.1-178.7166.200112.9L208 S212 L213L208-E210 PolarHBondContact O-N 3.44Å; E210-S212 VanDerWaalsContact C-N 3.3Å; E210-S212 PolarHBondContact O-N 2.9Å; E210-L213 PolarHBondContact O-N 3.39Å
211T86.9Confident84Confident100 Ų100108.2 Ų108.261%0.61358%0.575SS**G310 helixtrans-70.6-29.7177.666.50000112D209 L213 L214D209-T211 VanDerWaalsContact CG-OG1 3.3Å; D209-T211 PolarHBondContact O-N 3.04Å; D209-T211 VanDerWaalsContact O-N 3.16Å; D209-T211 WeakPolarHBondContact OD1-CB 3.44Å; D209-T211 PolarHBondContact OD1-N 2.93Å; D209-T211 PolarHBondContact OD1-OG1 3.41Å; T211-L213 VanDerWaalsContact C-N 3.33Å; T211-L213 PolarHBondContact O-N 3.32Å; T211-L214 PolarHBondContact O-N 2.65Å
212S87.8Confident82.6Confident16 Ų16110.1 Ų110.111%0.11259%0.585CS.*G310 helixtrans-77.8-15.7179.2-177.20000113.6A195 Q197 D209 E210 L214A195-S212 PolarHBondContact O-OG 3.4Å; A195-S212 VanDerWaalsContact O-OG 3.05Å; Q197-S212 WeakPolarHBondContact CB-OG 3.42Å; Q197-S212 WeakPolarHBondContact CG-OG 3.49Å; Q197-S212 PolarHBondContact N-OG 3.45Å; D209-S212 WeakPolarHBondContact O-CB 3.38Å; D209-S212 PolarHBondContact O-N 3.46Å; E210-S212 VanDerWaalsContact C-N 3.3Å; E210-S212 PolarHBondContact O-N 2.9Å; S212-L214 PolarHBondContact O-N 3Å
213L86.6Confident81.3Confident99 Ų99108.4 Ų108.452%0.51857%0.571SS.*G310 helixtrans-70.9-19.9171.4-71.9170.5000112.4P196 L208 E210 T211P196-L213 HydrophobicContact CB-CD2 4.39Å; L208-L213 HydrophobicContact CD2-CD1 3.91Å; L208-L213 HydrophobicContact CD2-CD2 4.23Å; L208-L213 HydrophobicContact CD2-CG 4.31Å; L208-L213 HydrophobicContact CG-CD1 4.45Å; E210-L213 PolarHBondContact O-N 3.39Å; T211-L213 VanDerWaalsContact C-N 3.33Å; T211-L213 PolarHBondContact O-N 3.32Å
214L86.1Confident80.2Confident138 Ų138111.2 Ų111.272%0.72358%0.577SS**  trans-100.283.5-179-61.4-179.2000110.5T211 S212 E216T211-L214 PolarHBondContact O-N 2.65Å; S212-L214 PolarHBondContact O-N 3Å; L214-E216 PolarHBondContact O-N 2.88Å
215V83.8Confident79.5Confident74 Ų74113.5 Ų113.545%0.44858%0.58SS.*  trans-70.399.7170177.80000109.1L194 K217L194-V215 HydrophobicContact CD1-CG1 3.52Å; L194-V215 HydrophobicContact CG-CG1 4.3Å; V215-K217 PolarHBondContact O-N 3.05Å; V215-K217 VanDerWaalsContact O-N 3.11Å
216E79.1Confident78.9Confident171 Ų171114.1 Ų114.180%0.79958%0.583SS**  trans-57.3117.7165.8-71.5-169.5164.600109.1L214 R218L214-E216 PolarHBondContact O-N 2.88Å; E216-R218 VanDerWaalsContact C-N 3.26Å; E216-R218 PolarHBondContact O-N 3.39Å
217K76.8Confident78.4Confident184 Ų184117.9 Ų117.980%0.859%0.588SS**  trans-65.392.3168.9-177.4-166.2175.1-165.50107.5V215 D219V215-K217 PolarHBondContact O-N 3.05Å; V215-K217 VanDerWaalsContact O-N 3.11Å; K217-D219 PolarHBondContact O-N 2.87Å
218R70.2Confident77.8Confident168 Ų168123.1 Ų123.163%0.63461%0.608SS**  trans-49.5127.7168.8-74.3-176.6168.481.80108.2E216 N220E216-R218 VanDerWaalsContact C-N 3.26Å; E216-R218 PolarHBondContact O-N 3.39Å; R218-N220 VanDerWaalsContact CB-OD1 3.26Å; R218-N220 WeakPolarHBondContact CB-OD1 3.47Å; R218-N220 PolarHBondContact O-N 3.2Å
219D66.5Low77.2Confident134 Ų134123.5 Ų123.572%0.71761%0.609SS**  trans-70.564.8164.6-74.3-37000109.1K217 F221 D222K217-D219 PolarHBondContact O-N 2.87Å; D219-F221 CarbonylContact O-C 3.23Å; D219-F221 VanDerWaalsContact O-C 3.23Å; D219-F221 PolarHBondContact O-N 3.07Å; D219-D222 PolarHBondContact O-N 3.29Å
220N59.4Low76.8Confident139 Ų139125 Ų12574%0.74362%0.622SS**  trans-64-4.3174.5-76.6-17.5000112.1R218R218-N220 VanDerWaalsContact CB-OD1 3.26Å; R218-N220 WeakPolarHBondContact CB-OD1 3.47Å; R218-N220 PolarHBondContact O-N 3.2Å
221F60.8Low76.3Confident160 Ų160125.1 Ų125.170%0.70262%0.622SS**SBendtrans-96.794154.1-110.1-95.2000108.7D219 A223 L226D219-F221 CarbonylContact O-C 3.23Å; D219-F221 VanDerWaalsContact O-C 3.23Å; D219-F221 PolarHBondContact O-N 3.07Å; F221-A223 PolarHBondContact O-N 2.89Å; F221-L226 HydrophobicContact CD1-CD1 3.9Å; F221-L226 HydrophobicContact CD1-CG 4.38Å; F221-L226 HydrophobicContact CE1-CD1 4.07Å; F221-L226 HydrophobicContact CE1-CD2 4.18Å; F221-L226 HydrophobicContact CE1-CG 4.42Å
222D62.2Low75.9Confident87 Ų87129.1 Ų129.147%0.46563%0.634SS.*  trans-6688.8171.5-155.4-4.3000107.7D219 K224 T225D219-D222 PolarHBondContact O-N 3.29Å; D222-K224 PolarHBondContact O-N 2.71Å; D222-T225 HydrophobicContact CB-CG2 4Å; D222-T225 WeakPolarHBondContact O-CB 3.47Å; D222-T225 PolarHBondContact O-N 2.89Å; D222-T225 PolarHBondContact O-OG1 3.48Å
223A64.6Low75.2Confident75 Ų75132.4 Ų132.462%0.6265%0.653SS**THydrogen-bonded Turntrans-57.4-19.2-175.200000112.4F221 T225 L226F221-A223 PolarHBondContact O-N 2.89Å; A223-T225 VanDerWaalsContact C-N 3.28Å; A223-T225 PolarHBondContact O-N 2.98Å; A223-L226 PolarHBondContact O-N 3.27Å
224K69.3Low74.6Confident194 Ų194130.1 Ų130.184%0.84365%0.654SS**THydrogen-bonded Turntrans-65.1-24.6171-62.4170.8-176.7167.20113.7D222D222-K224 PolarHBondContact O-N 2.71Å
225T77.2Confident73.9Confident104 Ų104129.3 Ų129.364%0.63865%0.649SS**THydrogen-bonded Turntrans-84.9-19.117665.70000113D222 A223 R227D222-T225 HydrophobicContact CB-CG2 4Å; D222-T225 WeakPolarHBondContact O-CB 3.47Å; D222-T225 PolarHBondContact O-N 2.89Å; D222-T225 PolarHBondContact O-OG1 3.48Å; A223-T225 VanDerWaalsContact C-N 3.28Å; A223-T225 PolarHBondContact O-N 2.98Å; T225-R227 PolarHBondContact O-N 2.84Å
226L80.2Confident73.6Confident105 Ų105131.1 Ų131.155%0.5566%0.655SS.*SBendtrans-78.9114.2175.6-68-178.3000110.2F221 A223F221-L226 HydrophobicContact CD1-CD1 3.9Å; F221-L226 HydrophobicContact CD1-CG 4.38Å; F221-L226 HydrophobicContact CE1-CD1 4.07Å; F221-L226 HydrophobicContact CE1-CD2 4.18Å; F221-L226 HydrophobicContact CE1-CG 4.42Å; A223-L226 PolarHBondContact O-N 3.27Å
227R81.6Confident73.6Confident209 Ų209127.8 Ų127.879%0.78965%0.651SS**  trans-69.9131.8169.669.3-177.6-174.4-125.9-4.5110.1T225 I229T225-R227 PolarHBondContact O-N 2.84Å; R227-I229 HydrophobicContact CG-CD1 4.25Å; R227-I229 HydrophobicContact CG-CG1 3.98Å
228H81.3Confident74Confident179 Ų179123.5 Ų123.583%0.82964%0.64SS**  trans-67.3134.1166.5-177.581.5000109.7
229I80.5Confident74.8Confident82 Ų82121 Ų12142%0.42164%0.639SS.*  trans-126.9120.1177.3-53.6178000107R227 E231R227-I229 HydrophobicContact CG-CD1 4.25Å; R227-I229 HydrophobicContact CG-CG1 3.98Å; I229-E231 PolarHBondContact O-N 2.84Å
230S81.1Confident75.9Confident52 Ų52123.8 Ų123.836%0.36464%0.641SS.*  trans-78.4115.2173.7172.90000110.3E232 T233S230-E232 VanDerWaalsContact C-N 3.29Å; S230-E232 PolarHBondContact O-N 2.98Å; S230-T233 PolarHBondContact O-OG1 2.93Å
231E80.7Confident77.1Confident158 Ų158126.6 Ų126.674%0.73864%0.641SS**G310 helixtrans-68.6-26.5-179.1-60.5-175.7176.600112.9I229 T233 G234 L236I229-E231 PolarHBondContact O-N 2.84Å; E231-T233 PolarHBondContact O-N 2.86Å; E231-T233 VanDerWaalsContact O-N 3.15Å; E231-G234 PolarHBondContact O-N 3.49Å; E231-L236 HydrophobicContact CG-CD1 4.47Å
232E78.7Confident78.2Confident184 Ų184121.8 Ų121.886%0.8663%0.628SS**G310 helixtrans-60.8-25-179-171.6178-170.900113.1S230 G234S230-E232 VanDerWaalsContact C-N 3.29Å; S230-E232 PolarHBondContact O-N 2.98Å; E232-G234 PolarHBondContact O-N 2.7Å
233T72.7Confident79.3Confident85 Ų85125.9 Ų125.952%0.52164%0.641SS.*G310 helixtrans-66.7-2.1-178.558.80000115S230 E231 I235S230-T233 PolarHBondContact O-OG1 2.93Å; E231-T233 PolarHBondContact O-N 2.86Å; E231-T233 VanDerWaalsContact O-N 3.15Å; T233-I235 PolarHBondContact O-N 3.13Å; T233-I235 VanDerWaalsContact O-N 3.15Å; T233-I235 WeakPolarHBondContact OG1-CD1 3.39Å; T233-I235 VanDerWaalsContact OG1-CG1 3.24Å; T233-I235 WeakPolarHBondContact OG1-CG1 3.36Å
234G74.2Confident80.3Confident51 Ų51129.2 Ų129.253%0.52664%0.638SS.*SBendtrans69.28.9177.500000114.8E231 E232 L236E231-G234 PolarHBondContact O-N 3.49Å; E232-G234 PolarHBondContact O-N 2.7Å; G234-L236 PolarHBondContact O-N 3.26Å
235I71.9Confident80.7Confident120 Ų120125.1 Ų125.162%0.61563%0.631SS**  trans-59.6-30.3179.5-66.1171.1000111.3T233 S237T233-I235 PolarHBondContact O-N 3.13Å; T233-I235 VanDerWaalsContact O-N 3.15Å; T233-I235 WeakPolarHBondContact OG1-CD1 3.39Å; T233-I235 VanDerWaalsContact OG1-CG1 3.24Å; T233-I235 WeakPolarHBondContact OG1-CG1 3.36Å; I235-S237 PolarHBondContact O-N 3.29Å
236L75.9Confident80.4Confident113 Ų113125.7 Ų125.759%0.59264%0.637SS**  trans-93.960-179.4-60.2175.9000111.7E231 G234 V238E231-L236 HydrophobicContact CG-CD1 4.47Å; G234-L236 PolarHBondContact O-N 3.26Å; L236-V238 PolarHBondContact O-N 3.18Å
237S80.3Confident79.9Confident100 Ų100129.7 Ų129.770%0.69965%0.645SS**  trans-71.1112.8172.954.20000111.3I235I235-S237 PolarHBondContact O-N 3.29Å
238V84.8Confident79Confident94 Ų94125.4 Ų125.457%0.5764%0.638SS**  trans-98.197.7-175.2176.80000111.1L236 F243L236-V238 PolarHBondContact O-N 3.18Å; V238-F243 HydrophobicContact CG1-CD2 4.28Å; V238-F243 HydrophobicContact CG1-CE1 4.45Å; V238-F243 HydrophobicContact CG1-CE2 3.27Å; V238-F243 HydrophobicContact CG1-CZ 3.37Å; V238-F243 HydrophobicContact CG2-CZ 4.39Å
239D87.9Confident78Confident117 Ų117118.2 Ų118.263%0.62661%0.611SS**  trans-81.4160.1168.6-86.3-4.9000112.2R241 S242D239-R241 PolarHBondContact O-N 3.24Å; D239-S242 PolarHBondContact O-N 2.89Å; D239-S242 PolarHBondContact O-OG 3.38Å
240Y87.7Confident76.9Confident191 Ų191121.7 Ų121.775%0.74963%0.625SS**THydrogen-bonded Turntrans-50.9-15167.7175-95.8000114.7R244Y240-R244 PolarHBondContact OH-NH2 2.81Å
241R84.5Confident75.9Confident198 Ų198122.5 Ų122.575%0.74764%0.642SS**THydrogen-bonded Turntrans-103.6-10.1-179.4-65.6-179.6176.2173.71114.7D239 R244D239-R241 PolarHBondContact O-N 3.24Å; R241-R244 PolarHBondContact O-N 3.41Å
242S85.3Confident76Confident60 Ų60121.5 Ų121.542%0.4263%0.631SS.*THydrogen-bonded Turntrans-65.3-41.7-172.861.40000112.9D239 R244D239-S242 PolarHBondContact O-N 2.89Å; D239-S242 PolarHBondContact O-OG 3.38Å; S242-R244 PolarHBondContact O-N 3.29Å
243F85.3Confident76.5Confident172 Ų172121 Ų12175%0.75463%0.626SS**THydrogen-bonded Turntrans-782.9-178-55.7-65.7000114.8V238V238-F243 HydrophobicContact CG1-CD2 4.28Å; V238-F243 HydrophobicContact CG1-CE1 4.45Å; V238-F243 HydrophobicContact CG1-CE2 3.27Å; V238-F243 HydrophobicContact CG1-CZ 3.37Å; V238-F243 HydrophobicContact CG2-CZ 4.39Å
244R85.6Confident77.4Confident145 Ų145118.6 Ų118.655%0.54761%0.608SS.*SBendtrans-86.2136174.8-66.5-178.5177.8-94.64.1108.2Y240 R241 S242Y240-R244 PolarHBondContact OH-NH2 2.81Å; R241-R244 PolarHBondContact O-N 3.41Å; S242-R244 PolarHBondContact O-N 3.29Å
245P77Confident78.2Confident108 Ų108119.1 Ų119.170%0.70160%0.601SS**PPolyproline II helixtrans-54.5138.4177.523.2-33.6000109.4R247P245-R247 PolarHBondContact O-N 3.38Å; P245-R247 VanDerWaalsContact O-N 3.08Å
246P71.1Confident79Confident117 Ų117115.9 Ų115.976%0.7658%0.583SS**PPolyproline II helixtrans-50.8122.1173-26.334.7000108.8D248P246-D248 VanDerWaalsContact C-N 3.31Å; P246-D248 PolarHBondContact O-N 3.02Å
247R69.2Low79.6Confident189 Ų189116.5 Ų116.571%0.71358%0.578SS**  trans-72.195173.3-79.2-168.7-71.7-126.8-1.9108P245 G249 H250P245-R247 PolarHBondContact O-N 3.38Å; P245-R247 VanDerWaalsContact O-N 3.08Å; R247-G249 PolarHBondContact O-N 2.79Å; R247-G249 VanDerWaalsContact O-N 3.12Å; R247-H250 HydrophobicContact CB-CB 3.81Å; R247-H250 WeakPolarHBondContact O-CB 3.34Å; R247-H250 PolarHBondContact O-N 3.38Å
248D62.4Low80.1Confident119 Ų119112.9 Ų112.964%0.63655%0.55SS*.THydrogen-bonded Turntrans-40.5118.5168.7-68.6-19.4000109.8P246 K284P246-D248 VanDerWaalsContact C-N 3.31Å; P246-D248 PolarHBondContact O-N 3.02Å; D248-K284 IonicContact OD2-NZ 2.76Å; D248-K284 PolarHBondContact OD2-NZ 2.72Å
249G61.1Low80.5Confident27 Ų27108.6 Ų108.628%0.27852%0.524SS..THydrogen-bonded Turntrans92.3-10.6-179.400000116.4R247 G251 R252R247-G249 PolarHBondContact O-N 2.79Å; R247-G249 VanDerWaalsContact O-N 3.12Å; G249-G251 PolarHBondContact O-N 3.43Å; G249-R252 PolarHBondContact O-N 2.73Å
250H56.4Low80.7Confident155 Ų155103.7 Ų103.772%0.71850%0.498SS*.THydrogen-bonded Turntrans-72.775.3176.3-163.473.3000112.5R247R247-H250 HydrophobicContact CB-CB 3.81Å; R247-H250 WeakPolarHBondContact O-CB 3.34Å; R247-H250 PolarHBondContact O-N 3.38Å
251G62.1Low80.8Confident69 Ų6996.7 Ų96.771%0.71147%0.47SS*.THydrogen-bonded Turntrans153-18.8-17900000113.9G249 K253G249-G251 PolarHBondContact O-N 3.43Å; G251-K253 PolarHBondContact O-N 3.13Å
252R82.1Confident81.2Confident137 Ų13787.3 Ų87.352%0.51744%0.435SS..  trans-73.394176.1-69.9-168.6-174.1-82.5-0110.1G249 R283G249-R252 PolarHBondContact O-N 2.73Å; R252-R283 PolarHBondContact O-NH1 3.35Å; R252-R283 PolarHBondContact O-NH2 3.2Å
253K89.2Confident81.6Confident173 Ų17384.5 Ų84.575%0.75242%0.415SS*.PPolyproline II helixtrans-52.4146.4167-63.2-177.4-179.5-177.30109.1G251 R283G251-K253 PolarHBondContact O-N 3.13Å; K253-R283 PolarHBondContact O-NH2 2.91Å
254W90.8Very high81.9Confident36 Ų3681.2 Ų81.214%0.13640%0.398CS..PPolyproline II helixtrans-77.6126.9171.7-75.570.2000107.7E258 F262 R283 E287 L288 K291 R294W254-E258 WeakPolarHBondContact CA-OE2 3.39Å; W254-E258 HydrophobicContact CE3-CG 3.73Å; W254-E258 HydrophobicContact CZ3-CG 3.75Å; W254-F262 HydrophobicContact CZ3-CB 4.35Å; W254-R283 HydrophobicContact CH2-CG 4.14Å; W254-R283 HydrophobicContact CZ2-CG 4.4Å; W254-E287 HydrophobicContact CZ2-CB 4.41Å; W254-L288 HydrophobicContact CH2-CD2 3.9Å; W254-K291 HydrophobicContact CD2-CB 4.47Å; W254-K291 HydrophobicContact CD2-CD 3.59Å; W254-K291 HydrophobicContact CD2-CG 4.06Å; W254-K291 HydrophobicContact CE3-CD 3.75Å; W254-K291 HydrophobicContact CE3-CG 3.97Å; W254-K291 HydrophobicContact CG-CD 4.07Å; W254-K291 HydrophobicContact CH2-CB 3.84Å; W254-K291 HydrophobicContact CH2-CD 4.42Å; W254-K291 HydrophobicContact CH2-CG 3.8Å; W254-K291 HydrophobicContact CZ2-CB 3.53Å; W254-K291 HydrophobicContact CZ2-CD 4.26Å; W254-K291 HydrophobicContact CZ2-CG 3.86Å; W254-K291 HydrophobicContact CZ3-CB 4.39Å; W254-K291 HydrophobicContact CZ3-CD 4.16Å; W254-K291 HydrophobicContact CZ3-CG 3.84Å; W254-R294 VanDerWaalsContact CD1-NH1 3.3Å
255T90.7Very high82.2Confident62 Ų6274.3 Ų74.338%0.3837%0.372SS..PPolyproline II helixtrans-78.9164.2171.865.50000110E258 T259T255-E258 PolarHBondContact N-OE2 3.07Å; T255-E258 WeakPolarHBondContact OG1-CB 3.44Å; T255-E258 PolarHBondContact OG1-N 3.05Å; T255-E258 VanDerWaalsContact OG1-N 3.16Å; T255-T259 WeakPolarHBondContact O-CB 3.43Å; T255-T259 PolarHBondContact O-N 2.84Å; T255-T259 PolarHBondContact O-OG1 2.73Å
256E88.9Confident83Confident51 Ų5169.2 Ų69.224%0.23834%0.338CS..Hα-helixtrans-58.5-56.3171.7168.3143.2-126.700111E258 T259 T260 F379 H382 L383E256-E258 VanDerWaalsContact C-N 3.27Å; E256-E258 PolarHBondContact O-N 3.41Å; E256-T259 CarbonylContact O-C 3.45Å; E256-T259 WeakPolarHBondContact O-CA 3.48Å; E256-T259 WeakPolarHBondContact O-CB 3.36Å; E256-T259 PolarHBondContact O-N 3.28Å; E256-T260 PolarHBondContact O-N 2.74Å; E256-T260 PolarHBondContact O-OG1 3.07Å; E256-F379 HydrophobicContact CB-CE2 3.9Å; E256-F379 HydrophobicContact CB-CZ 3.94Å; E256-H382 IonicContact OE1-CD2 3.99Å; E256-H382 PolarHBondContact OE1-CD2 2.65Å; E256-L383 HydrophobicContact CB-CD1 4.35Å; E256-L383 HydrophobicContact CG-CD1 3.91Å; E256-L383 WeakPolarHBondContact OE1-CA 3.36Å
257R89Confident83.9Confident126 Ų12663.7 Ų63.748%0.47530%0.303SS..Hα-helixtrans-51.2-44.3176.6-61.3176.467.4175.35.9112.6T260 R261 D323 E326R257-T260 PolarHBondContact O-N 3.24Å; R257-R261 PolarHBondContact O-N 2.87Å; R257-D323 IonicContact CZ-OD1 2.82Å; R257-D323 VanDerWaalsContact CZ-OD1 3.31Å; R257-D323 IonicContact NE-OD1 3.35Å; R257-D323 IonicContact NH2-OD1 3.84Å; R257-D323 PolarHBondContact NH2-OD1 3.17Å; R257-E326 IonicContact NH1-OE2 2.74Å; R257-E326 PolarHBondContact NH1-OE2 3.12Å
258E91.7Very high84.9Confident25 Ų2555.2 Ų55.212%0.11727%0.272CS..Hα-helixtrans-68-35.5176.7-174.3-177.3-139.100112.6W254 T255 E256 F262 F280 R283W254-E258 WeakPolarHBondContact CA-OE2 3.39Å; W254-E258 HydrophobicContact CE3-CG 3.73Å; W254-E258 HydrophobicContact CZ3-CG 3.75Å; T255-E258 PolarHBondContact N-OE2 3.07Å; T255-E258 WeakPolarHBondContact OG1-CB 3.44Å; T255-E258 PolarHBondContact OG1-N 3.05Å; T255-E258 VanDerWaalsContact OG1-N 3.16Å; E256-E258 VanDerWaalsContact C-N 3.27Å; E256-E258 PolarHBondContact O-N 3.41Å; E258-F262 PolarHBondContact O-N 3.49Å; E258-F280 HydrophobicContact CG-CD1 4.1Å; E258-F280 HydrophobicContact CG-CE1 3.87Å; E258-R283 VanDerWaalsContact OE1-CG 3.28Å; E258-R283 WeakPolarHBondContact OE1-CG 2.97Å; E258-R283 IonicContact OE1-CZ 3.05Å; E258-R283 IonicContact OE1-NE 2.89Å; E258-R283 PolarHBondContact OE1-NE 2.9Å; E258-R283 IonicContact OE1-NH2 3.61Å; E258-R283 PolarHBondContact OE1-NH2 2.82Å; E258-R283 IonicContact OE2-CZ 2.65Å; E258-R283 IonicContact OE2-NE 2.71Å; E258-R283 IonicContact OE2-NH2 3.71Å; E258-R283 PolarHBondContact OE2-NH2 3.26Å
259T92.8Very high86.3Confident3 Ų350.9 Ų50.92%0.01825%0.249CC..Hα-helixtrans-71-40.1174.9-59.20000111.6T255 E256 F262 Y263 K291 L383 I387T255-T259 WeakPolarHBondContact O-CB 3.43Å; T255-T259 PolarHBondContact O-N 2.84Å; T255-T259 PolarHBondContact O-OG1 2.73Å; E256-T259 CarbonylContact O-C 3.45Å; E256-T259 WeakPolarHBondContact O-CA 3.48Å; E256-T259 WeakPolarHBondContact O-CB 3.36Å; E256-T259 PolarHBondContact O-N 3.28Å; T259-F262 WeakPolarHBondContact O-CA 3.2Å; T259-F262 WeakPolarHBondContact O-CB 3.3Å; T259-F262 PolarHBondContact O-N 2.8Å; T259-Y263 HydrophobicContact CG2-CD2 3.9Å; T259-Y263 HydrophobicContact CG2-CE2 3.69Å; T259-Y263 VanDerWaalsContact O-CD2 3.31Å; T259-Y263 WeakPolarHBondContact O-CD2 3.3Å; T259-Y263 PolarHBondContact O-N 3.14Å; T259-K291 PolarHBondContact OG1-NZ 3.12Å; T259-L383 HydrophobicContact CG2-CD1 4.13Å; T259-L383 HydrophobicContact CG2-CD2 3.97Å; T259-L383 HydrophobicContact CG2-CG 4.39Å; T259-I387 HydrophobicContact CG2-CD1 4.27Å
260T91.2Very high87.8Confident15 Ų1550.4 Ų50.49%0.09224%0.243CC..Hα-helixtrans-63.4-40.6173-55.60000111.1E256 R257 F262 Y263 R264 V390E256-T260 PolarHBondContact O-N 2.74Å; E256-T260 PolarHBondContact O-OG1 3.07Å; R257-T260 PolarHBondContact O-N 3.24Å; T260-F262 VanDerWaalsContact C-N 3.29Å; T260-F262 PolarHBondContact O-N 3.37Å; T260-Y263 PolarHBondContact O-N 3.47Å; T260-R264 WeakPolarHBondContact O-CG 3.47Å; T260-R264 PolarHBondContact O-N 2.97Å; T260-V390 HydrophobicContact CG2-CG2 4.3Å
261R90.5Very high89.6Confident44 Ų4446.7 Ų46.717%0.16623%0.232CC..Hα-helixtrans-59.6-39.4169.5-176179.5-78.410910.7111.5R257 R264 A265 F280 L318 D323R257-R261 PolarHBondContact O-N 2.87Å; R261-R264 PolarHBondContact O-N 3.39Å; R261-A265 WeakPolarHBondContact O-CB 3.41Å; R261-A265 PolarHBondContact O-N 2.68Å; R261-F280 HydrophobicContact CB-CE1 4.03Å; R261-F280 HydrophobicContact CB-CZ 4.03Å; R261-F280 HydrophobicContact CG-CE1 3.86Å; R261-F280 HydrophobicContact CG-CE2 4.41Å; R261-F280 HydrophobicContact CG-CZ 3.63Å; R261-L318 WeakPolarHBondContact CD-O 3.32Å; R261-L318 PolarHBondContact NE-O 3.47Å; R261-D323 IonicContact CZ-OD2 2.72Å; R261-D323 IonicContact NH1-OD2 3.42Å; R261-D323 PolarHBondContact NH1-OD2 3.05Å; R261-D323 IonicContact NH2-OD2 3.59Å; R261-D323 PolarHBondContact NH2-OD2 3.16Å
262F93.5Very high91.1Very high0 Ų046.7 Ų46.70%022%0.215CC..Hα-helixtrans-62.3-45.6178.5172.6-93.9000112.3W254 E258 T259 T260 A265 L266 M276 F280 L288 K291 F292 E295W254-F262 HydrophobicContact CZ3-CB 4.35Å; E258-F262 PolarHBondContact O-N 3.49Å; T259-F262 WeakPolarHBondContact O-CA 3.2Å; T259-F262 WeakPolarHBondContact O-CB 3.3Å; T259-F262 PolarHBondContact O-N 2.8Å; T260-F262 VanDerWaalsContact C-N 3.29Å; T260-F262 PolarHBondContact O-N 3.37Å; F262-A265 PolarHBondContact O-N 2.92Å; F262-L266 HydrophobicContact CE1-CD2 4.39Å; F262-L266 VanDerWaalsContact O-CB 3.31Å; F262-L266 WeakPolarHBondContact O-CB 3.49Å; F262-L266 PolarHBondContact O-N 2.93Å; F262-M276 HydrophobicContact CD2-SD 3.85Å; F262-M276 HydrophobicContact CE2-SD 3.82Å; F262-F280 HydrophobicContact CB-CZ 4.03Å; F262-L288 HydrophobicContact CD2-CD2 3.95Å; F262-L288 HydrophobicContact CE2-CD2 4.31Å; F262-K291 HydrophobicContact CD1-CG 4.02Å; F262-K291 HydrophobicContact CD2-CG 3.89Å; F262-K291 HydrophobicContact CE1-CG 3.99Å; F262-K291 HydrophobicContact CE2-CB 4.28Å; F262-K291 HydrophobicContact CE2-CG 3.86Å; F262-K291 HydrophobicContact CG-CG 3.98Å; F262-K291 HydrophobicContact CZ-CB 4.48Å; F262-K291 HydrophobicContact CZ-CG 3.92Å; F262-F292 HydrophobicContact CZ-CB 3.95Å; F262-F292 HydrophobicContact CZ-CD2 4.27Å; F262-E295 HydrophobicContact CE1-CG 4.13Å
263Y93.2Very high91.8Very high2 Ų241.4 Ų41.41%0.00820%0.196CC..Hα-helixtrans-68.7-35.3176-76.3-80.8000113.2T259 T260 L266 S267 E295 L302 V303 A306 I387T259-Y263 HydrophobicContact CG2-CD2 3.9Å; T259-Y263 HydrophobicContact CG2-CE2 3.69Å; T259-Y263 VanDerWaalsContact O-CD2 3.31Å; T259-Y263 WeakPolarHBondContact O-CD2 3.3Å; T259-Y263 PolarHBondContact O-N 3.14Å; T260-Y263 PolarHBondContact O-N 3.47Å; Y263-L266 HydrophobicContact CD1-CD2 4.44Å; Y263-L266 PolarHBondContact O-N 2.9Å; Y263-S267 WeakPolarHBondContact O-CB 3.16Å; Y263-S267 PolarHBondContact O-N 3.22Å; Y263-E295 HydrophobicContact CE2-CG 4.31Å; Y263-E295 WeakPolarHBondContact OH-CB 3.36Å; Y263-E295 PolarHBondContact OH-OE2 3.45Å; Y263-E295 VanDerWaalsContact OH-OE2 3.1Å; Y263-L302 HydrophobicContact CD1-CB 4.16Å; Y263-L302 HydrophobicContact CE1-CB 3.45Å; Y263-L302 VanDerWaalsContact CE1-CB 3.45Å; Y263-L302 HydrophobicContact CE1-CD1 4.49Å; Y263-L302 HydrophobicContact CE2-CD1 4.48Å; Y263-V303 HydrophobicContact CE1-CG2 3.95Å; Y263-A306 HydrophobicContact CD1-CB 4.21Å; Y263-I387 HydrophobicContact CD1-CG2 4.1Å; Y263-I387 HydrophobicContact CD2-CD1 3.36Å; Y263-I387 HydrophobicContact CD2-CG1 3.83Å; Y263-I387 HydrophobicContact CD2-CG2 4.01Å; Y263-I387 HydrophobicContact CE2-CD1 3.39Å; Y263-I387 HydrophobicContact CE2-CG1 4.35Å; Y263-I387 HydrophobicContact CG-CD1 4.22Å; Y263-I387 HydrophobicContact CG-CG1 4.34Å; Y263-I387 HydrophobicContact CG-CG2 3.72Å
264R90.3Very high92Very high102 Ų10239.9 Ų39.939%0.38519%0.187SC..Hα-helixtrans-61.4-47.1170.5-71.8-178.6-178.9-154.5-1.4111.7T260 R261 L266 S267 T268 L318 V390T260-R264 WeakPolarHBondContact O-CG 3.47Å; T260-R264 PolarHBondContact O-N 2.97Å; R261-R264 PolarHBondContact O-N 3.39Å; R264-L266 PolarHBondContact O-N 3.05Å; R264-S267 PolarHBondContact O-N 3.43Å; R264-T268 PolarHBondContact O-N 3.38Å; R264-T268 PolarHBondContact O-OG1 2.86Å; R264-L318 HydrophobicContact CB-CD2 3.88Å; R264-V390 HydrophobicContact CG-CG1 3.76Å; R264-V390 VanDerWaalsContact NE-CG1 3.34Å
265A92.3Very high92.1Very high0 Ų040.6 Ų40.60%020%0.195CC..Hα-helixtrans-64.7-39.1178.800000112R261 F262 S267 T268 I269 M276 F280 L318R261-A265 WeakPolarHBondContact O-CB 3.41Å; R261-A265 PolarHBondContact O-N 2.68Å; F262-A265 PolarHBondContact O-N 2.92Å; A265-S267 VanDerWaalsContact C-N 3.3Å; A265-S267 PolarHBondContact O-N 3.3Å; A265-T268 PolarHBondContact O-N 3.05Å; A265-T268 VanDerWaalsContact O-N 3.16Å; A265-I269 HydrophobicContact CB-CD1 4.45Å; A265-I269 WeakPolarHBondContact O-CB 3.29Å; A265-I269 PolarHBondContact O-N 3.35Å; A265-M276 HydrophobicContact CB-CE 4.21Å; A265-M276 HydrophobicContact CB-CG 3.96Å; A265-M276 HydrophobicContact CB-SD 4.32Å; A265-F280 HydrophobicContact CB-CE2 4.26Å; A265-L318 HydrophobicContact CB-CD2 4.13Å
266L93.6Very high92.2Very high1 Ų137.7 Ų37.71%0.00518%0.177CC..Hα-helixtrans-62.1-36.3174.4-171.465.8000112.2F262 Y263 R264 G270 M276 F292 V303 A306 L307F262-L266 HydrophobicContact CE1-CD2 4.39Å; F262-L266 VanDerWaalsContact O-CB 3.31Å; F262-L266 WeakPolarHBondContact O-CB 3.49Å; F262-L266 PolarHBondContact O-N 2.93Å; Y263-L266 HydrophobicContact CD1-CD2 4.44Å; Y263-L266 PolarHBondContact O-N 2.9Å; R264-L266 PolarHBondContact O-N 3.05Å; L266-G270 WeakPolarHBondContact O-CA 2.95Å; L266-G270 PolarHBondContact O-N 3.48Å; L266-M276 HydrophobicContact CB-CE 4.31Å; L266-M276 HydrophobicContact CD1-CE 4.25Å; L266-F292 HydrophobicContact CD1-CD2 4.01Å; L266-F292 HydrophobicContact CD1-CE2 3.97Å; L266-F292 HydrophobicContact CD2-CD2 4.36Å; L266-F292 HydrophobicContact CD2-CE2 4.28Å; L266-V303 HydrophobicContact CD2-CG1 4.29Å; L266-A306 HydrophobicContact CB-CB 4.37Å; L266-A306 HydrophobicContact CD2-CB 3.99Å; L266-A306 HydrophobicContact CG-CB 4.21Å; L266-L307 HydrophobicContact CD1-CD2 3.83Å; L266-L307 HydrophobicContact CD1-CG 4.48Å; L266-L307 HydrophobicContact CG-CD2 4.01Å; L266-L307 HydrophobicContact CG-CG 4.32Å
267S91.5Very high92.4Very high1 Ų137.8 Ų37.81%0.00718%0.178CC..Hα-helixtrans-73.8-26.1174167.90000113.6Y263 R264 A265 A306 N309 R310 R311Y263-S267 WeakPolarHBondContact O-CB 3.16Å; Y263-S267 PolarHBondContact O-N 3.22Å; R264-S267 PolarHBondContact O-N 3.43Å; A265-S267 VanDerWaalsContact C-N 3.3Å; A265-S267 PolarHBondContact O-N 3.3Å; S267-A306 VanDerWaalsContact CA-O 3.3Å; S267-A306 WeakPolarHBondContact CA-O 3.32Å; S267-N309 PolarHBondContact OG-O 3.35Å; S267-R310 CarbonylContact O-C 3.33Å; S267-R310 WeakPolarHBondContact O-CA 3.36Å; S267-R311 PolarHBondContact O-N 3.47Å; S267-R311 WeakPolarHBondContact OG-CD 3.43Å; S267-R311 PolarHBondContact OG-NH1 3.22Å
268T89.8Confident92.4Very high11 Ų1138.2 Ų38.27%0.06718%0.183CC..Hα-helixtrans-85-56.1177.8-39.50000112R264 A265 Y313 L315 L318R264-T268 PolarHBondContact O-N 3.38Å; R264-T268 PolarHBondContact O-OG1 2.86Å; A265-T268 PolarHBondContact O-N 3.05Å; A265-T268 VanDerWaalsContact O-N 3.16Å; T268-Y313 HydrophobicContact CG2-CD2 4.31Å; T268-Y313 VanDerWaalsContact OG1-CD2 3.31Å; T268-Y313 WeakPolarHBondContact OG1-CD2 3.29Å; T268-L315 HydrophobicContact CG2-CD2 3.82Å; T268-L318 WeakPolarHBondContact OG1-CD2 3.45Å
269I91.4Very high92.3Very high29 Ų2937.2 Ų37.215%0.14918%0.178CC..Hα-helixtrans-91.9-30.5-167.6-62.9160.9000110.8A265 D272 V275 M276 M279 L315A265-I269 HydrophobicContact CB-CD1 4.45Å; A265-I269 WeakPolarHBondContact O-CB 3.29Å; A265-I269 PolarHBondContact O-N 3.35Å; I269-D272 HydrophobicContact CG2-CB 4.05Å; I269-V275 HydrophobicContact CD1-CG1 3.99Å; I269-V275 HydrophobicContact CG1-CG1 4.08Å; I269-V275 HydrophobicContact CG2-CB 3.89Å; I269-V275 HydrophobicContact CG2-CG1 3.94Å; I269-M276 HydrophobicContact CD1-CB 4.2Å; I269-M279 HydrophobicContact CD1-CG 3.94Å; I269-L315 HydrophobicContact CD1-CD2 4.31Å; I269-L315 HydrophobicContact CG1-CD2 4.01Å
270G92.7Very high92.2Very high16 Ų1637.4 Ų37.417%0.16518%0.179CC..  trans79-145.9-165.500000111.7L266 D272 M276L266-G270 WeakPolarHBondContact O-CA 2.95Å; L266-G270 PolarHBondContact O-N 3.48Å; G270-D272 VanDerWaalsContact C-N 3.33Å; G270-D272 PolarHBondContact O-N 2.92Å; G270-M276 WeakPolarHBondContact O-CE 3.09Å
271T94.2Very high92Very high78 Ų7841.3 Ų41.348%0.47921%0.205SC..SBendtrans-84.97.8-171.951.60000115F273 F292 L307T271-F273 WeakPolarHBondContact O-CD2 3.5Å; T271-F273 VanDerWaalsContact O-CE2 3.23Å; T271-F273 WeakPolarHBondContact O-CE2 3.33Å; T271-F273 PolarHBondContact O-N 3.05Å; T271-F292 HydrophobicContact CG2-CE2 4.28Å; T271-F292 HydrophobicContact CG2-CZ 4.31Å; T271-L307 HydrophobicContact CG2-CD2 4.02Å
272D94.6Very high91.9Very high68 Ų6845.4 Ų45.436%0.36422%0.22SC..  trans-78.993.3173.6-169.5-3.6000112.2I269 G270 Y274 V275 M276 R285I269-D272 HydrophobicContact CG2-CB 4.05Å; G270-D272 VanDerWaalsContact C-N 3.33Å; G270-D272 PolarHBondContact O-N 2.92Å; D272-Y274 PolarHBondContact O-N 3.42Å; D272-Y274 WeakPolarHBondContact OD1-CB 3.22Å; D272-Y274 PolarHBondContact OD1-N 3.4Å; D272-V275 PolarHBondContact O-N 2.87Å; D272-V275 WeakPolarHBondContact OD2-CG2 3.24Å; D272-M276 WeakPolarHBondContact O-CB 3.15Å; D272-M276 PolarHBondContact O-N 2.94Å; D272-R285 IonicContact OD1-NH1 2.84Å; D272-R285 PolarHBondContact OD1-NH1 3.18Å
273F95.3Very high91.8Very high26 Ų2646 Ų4611%0.11422%0.222CC..Hα-helixtrans-66.6-13.4178.5-52-65.7000114.9T271 M276 E277 R285 L288 V289 F292T271-F273 WeakPolarHBondContact O-CD2 3.5Å; T271-F273 VanDerWaalsContact O-CE2 3.23Å; T271-F273 WeakPolarHBondContact O-CE2 3.33Å; T271-F273 PolarHBondContact O-N 3.05Å; F273-M276 HydrophobicContact CD1-SD 4.33Å; F273-E277 WeakPolarHBondContact O-CB 3.46Å; F273-E277 PolarHBondContact O-N 2.96Å; F273-E277 VanDerWaalsContact O-N 3.11Å; F273-R285 HydrophobicContact CB-CG 3.92Å; F273-L288 HydrophobicContact CB-CB 4.39Å; F273-L288 HydrophobicContact CD1-CB 4.14Å; F273-V289 HydrophobicContact CB-CG2 4.11Å; F273-V289 HydrophobicContact CD1-CG2 4.49Å; F273-V289 HydrophobicContact CD2-CG2 3.42Å; F273-V289 VanDerWaalsContact CD2-CG2 3.42Å; F273-V289 HydrophobicContact CE2-CG2 3.93Å; F273-V289 HydrophobicContact CG-CG2 3.74Å; F273-F292 HydrophobicContact CE1-CB 3.69Å; F273-F292 HydrophobicContact CE1-CD2 4.16Å; F273-F292 AromaticContact CE1-CG 3.96Å; F273-F292 HydrophobicContact CE1-CG 3.96Å; F273-F292 HydrophobicContact CZ-CB 3.74Å; F273-F292 HydrophobicContact CZ-CD1 4.05Å; F273-F292 HydrophobicContact CZ-CD2 4.09Å; F273-F292 AromaticContact CZ-CG 3.67Å; F273-F292 HydrophobicContact CZ-CG 3.67Å
274Y94.2Very high91.7Very high142 Ų14250.9 Ų50.956%0.55724%0.243SC*.Hα-helixtrans-84.1-43.2178.1179.3-112.7000110.9D272 M276 E277 R285D272-Y274 PolarHBondContact O-N 3.42Å; D272-Y274 WeakPolarHBondContact OD1-CB 3.22Å; D272-Y274 PolarHBondContact OD1-N 3.4Å; Y274-M276 VanDerWaalsContact C-N 3.29Å; Y274-E277 WeakPolarHBondContact O-CB 3.3Å; Y274-E277 PolarHBondContact O-N 2.81Å; Y274-R285 VanDerWaalsContact CB-NH1 3.29Å
275V92.2Very high91.9Very high51 Ų5151.1 Ų51.131%0.30924%0.244SC..Hα-helixtrans-64.7-39.4169.11780000110I269 D272 E277 K278I269-V275 HydrophobicContact CD1-CG1 3.99Å; I269-V275 HydrophobicContact CG1-CG1 4.08Å; I269-V275 HydrophobicContact CG2-CB 3.89Å; I269-V275 HydrophobicContact CG2-CG1 3.94Å; D272-V275 PolarHBondContact O-N 2.87Å; D272-V275 WeakPolarHBondContact OD2-CG2 3.24Å; V275-E277 VanDerWaalsContact C-N 3.33Å; V275-E277 PolarHBondContact O-N 2.75Å; V275-K278 PolarHBondContact O-N 3.22Å
276M92.5Very high91.9Very high0 Ų054.9 Ų54.90%027%0.271CS..Hα-helixtrans-62.6-34.6176-168.4178.1-64.700113.4F262 A265 L266 I269 G270 D272 F273 Y274 K278 M279 F280 L288F262-M276 HydrophobicContact CD2-SD 3.85Å; F262-M276 HydrophobicContact CE2-SD 3.82Å; A265-M276 HydrophobicContact CB-CE 4.21Å; A265-M276 HydrophobicContact CB-CG 3.96Å; A265-M276 HydrophobicContact CB-SD 4.32Å; L266-M276 HydrophobicContact CB-CE 4.31Å; L266-M276 HydrophobicContact CD1-CE 4.25Å; I269-M276 HydrophobicContact CD1-CB 4.2Å; G270-M276 WeakPolarHBondContact O-CE 3.09Å; D272-M276 WeakPolarHBondContact O-CB 3.15Å; D272-M276 PolarHBondContact O-N 2.94Å; F273-M276 HydrophobicContact CD1-SD 4.33Å; Y274-M276 VanDerWaalsContact C-N 3.29Å; M276-K278 PolarHBondContact O-N 2.95Å; M276-M279 VanDerWaalsContact O-CB 3.31Å; M276-M279 WeakPolarHBondContact O-CB 3.46Å; M276-M279 WeakPolarHBondContact O-CG 3.18Å; M276-M279 PolarHBondContact O-N 2.97Å; M276-F280 HydrophobicContact CG-CD2 4.16Å; M276-F280 HydrophobicContact CG-CE2 3.83Å; M276-F280 WeakPolarHBondContact O-CD2 3.46Å; M276-F280 HydrophobicContact SD-CE2 4.43Å; M276-L288 HydrophobicContact CB-CD1 4.2Å; M276-L288 HydrophobicContact CG-CD1 4.04Å; M276-L288 HydrophobicContact CG-CD2 4.25Å; M276-L288 HydrophobicContact SD-CD1 4.46Å; M276-L288 HydrophobicContact SD-CD2 3.96Å
277E92.9Very high91.8Very high54 Ų5456.3 Ų56.325%0.25228%0.277SS..Hα-helixtrans-56-36.4178.8-175.5166-142.400112.7F273 Y274 V275 M279 F280 K284 R285 L288F273-E277 WeakPolarHBondContact O-CB 3.46Å; F273-E277 PolarHBondContact O-N 2.96Å; F273-E277 VanDerWaalsContact O-N 3.11Å; Y274-E277 WeakPolarHBondContact O-CB 3.3Å; Y274-E277 PolarHBondContact O-N 2.81Å; V275-E277 VanDerWaalsContact C-N 3.33Å; V275-E277 PolarHBondContact O-N 2.75Å; E277-M279 PolarHBondContact O-N 2.96Å; E277-M279 VanDerWaalsContact O-N 3.13Å; E277-F280 CarbonylContact O-C 3.44Å; E277-F280 PolarHBondContact O-N 3.39Å; E277-K284 VanDerWaalsContact OE1-CA 3.24Å; E277-K284 WeakPolarHBondContact OE1-CA 3.39Å; E277-R285 VanDerWaalsContact CD-N 3.29Å; E277-R285 PolarHBondContact OE1-N 3.04Å; E277-R285 WeakPolarHBondContact OE2-CB 3.31Å; E277-L288 HydrophobicContact CB-CD1 4.14Å
278K90.6Very high92Very high135 Ų13556.3 Ų56.359%0.58728%0.277SS*.THydrogen-bonded Turntrans-59.7-26.1175.9-60.2-173.7177.1-173.60113.3V275 M276 F280 F319V275-K278 PolarHBondContact O-N 3.22Å; M276-K278 PolarHBondContact O-N 2.95Å; K278-F280 VanDerWaalsContact C-N 3.31Å; K278-F319 VanDerWaalsContact O-CE1 3.26Å; K278-F319 WeakPolarHBondContact O-CE1 3.29Å
279M88.5Confident92.2Very high3 Ų357.6 Ų57.62%0.01529%0.285CS..THydrogen-bonded Turntrans-82-11.4179.2-39.6-48.4-70.700112.6I269 M276 E277 L315 L318 F319I269-M279 HydrophobicContact CD1-CG 3.94Å; M276-M279 VanDerWaalsContact O-CB 3.31Å; M276-M279 WeakPolarHBondContact O-CB 3.46Å; M276-M279 WeakPolarHBondContact O-CG 3.18Å; M276-M279 PolarHBondContact O-N 2.97Å; E277-M279 PolarHBondContact O-N 2.96Å; E277-M279 VanDerWaalsContact O-N 3.13Å; M279-L315 HydrophobicContact CE-CB 4.13Å; M279-L315 WeakPolarHBondContact CE-O 3.42Å; M279-L318 HydrophobicContact CE-CB 3.47Å; M279-L318 VanDerWaalsContact CE-CB 3.47Å; M279-F319 HydrophobicContact CE-CD1 4.49Å; M279-F319 HydrophobicContact CE-CD2 3.71Å; M279-F319 HydrophobicContact CE-CE1 4.45Å; M279-F319 HydrophobicContact CE-CE2 3.68Å; M279-F319 HydrophobicContact CE-CG 4.14Å; M279-F319 HydrophobicContact CE-CZ 4.06Å; M279-F319 HydrophobicContact SD-CE1 4.16Å; M279-F319 HydrophobicContact SD-CE2 4.05Å; M279-F319 HydrophobicContact SD-CZ 3.83Å
280F90.8Very high92.3Very high7 Ų759.3 Ų59.33%0.03130%0.299CS..  trans-127.680.3-176.9-65.1-88.4000111E258 R261 F262 A265 M276 E277 K278 R282 R283 L288E258-F280 HydrophobicContact CG-CD1 4.1Å; E258-F280 HydrophobicContact CG-CE1 3.87Å; R261-F280 HydrophobicContact CB-CE1 4.03Å; R261-F280 HydrophobicContact CB-CZ 4.03Å; R261-F280 HydrophobicContact CG-CE1 3.86Å; R261-F280 HydrophobicContact CG-CE2 4.41Å; R261-F280 HydrophobicContact CG-CZ 3.63Å; F262-F280 HydrophobicContact CB-CZ 4.03Å; A265-F280 HydrophobicContact CB-CE2 4.26Å; M276-F280 HydrophobicContact CG-CD2 4.16Å; M276-F280 HydrophobicContact CG-CE2 3.83Å; M276-F280 WeakPolarHBondContact O-CD2 3.46Å; M276-F280 HydrophobicContact SD-CE2 4.43Å; E277-F280 CarbonylContact O-C 3.44Å; E277-F280 PolarHBondContact O-N 3.39Å; K278-F280 VanDerWaalsContact C-N 3.31Å; F280-R282 PolarHBondContact O-N 2.88Å; F280-R283 HydrophobicContact CB-CB 3.84Å; F280-R283 HydrophobicContact CB-CG 4.22Å; F280-R283 PolarHBondContact O-N 3.21Å; F280-L288 HydrophobicContact CD2-CD1 4.24Å; F280-L288 HydrophobicContact CD2-CD2 3.75Å; F280-L288 HydrophobicContact CE2-CD2 3.9Å; F280-L288 HydrophobicContact CG-CD2 4.25Å; F280-L288 HydrophobicContact CZ-CD2 4.48Å
281P87.7Confident92.4Very high98 Ų9858.7 Ų58.764%0.63629%0.292SS*.THydrogen-bonded Turntrans-61-8.8-177.726-36.2000114.5P320P281-P320 HydrophobicContact CG-CG 3.78Å
282R87.9Confident92.5Very high129 Ų12956.3 Ų56.349%0.48728%0.275SS..THydrogen-bonded Turntrans-114.66-178.9-61.5-179.6171.7-80.310.4113.7F280 E324F280-R282 PolarHBondContact O-N 2.88Å; R282-E324 IonicContact CZ-OE1 3.14Å; R282-E324 IonicContact CZ-OE2 2.65Å; R282-E324 IonicContact NE-OE1 3.51Å; R282-E324 PolarHBondContact NE-OE1 2.9Å; R282-E324 IonicContact NE-OE2 3.57Å; R282-E324 VanDerWaalsContact NH2-CD 3.27Å; R282-E324 IonicContact NH2-OE1 2.68Å; R282-E324 PolarHBondContact NH2-OE1 3.08Å; R282-E324 VanDerWaalsContact NH2-OE1 3.14Å; R282-E324 IonicContact NH2-OE2 3.35Å; R282-E324 PolarHBondContact NH2-OE2 2.9Å
283R91.2Very high92.6Very high14 Ų1459 Ų595%0.05328%0.284CS..  trans-129.5140.3178.2-63.8-65.7-173.4171.6-0.2111.9R252 K253 W254 E258 F280 E287R252-R283 PolarHBondContact O-NH1 3.35Å; R252-R283 PolarHBondContact O-NH2 3.2Å; K253-R283 PolarHBondContact O-NH2 2.91Å; W254-R283 HydrophobicContact CH2-CG 4.14Å; W254-R283 HydrophobicContact CZ2-CG 4.4Å; E258-R283 VanDerWaalsContact OE1-CG 3.28Å; E258-R283 WeakPolarHBondContact OE1-CG 2.97Å; E258-R283 IonicContact OE1-CZ 3.05Å; E258-R283 IonicContact OE1-NE 2.89Å; E258-R283 PolarHBondContact OE1-NE 2.9Å; E258-R283 IonicContact OE1-NH2 3.61Å; E258-R283 PolarHBondContact OE1-NH2 2.82Å; E258-R283 IonicContact OE2-CZ 2.65Å; E258-R283 IonicContact OE2-NE 2.71Å; E258-R283 IonicContact OE2-NH2 3.71Å; E258-R283 PolarHBondContact OE2-NH2 3.26Å; F280-R283 HydrophobicContact CB-CB 3.84Å; F280-R283 HydrophobicContact CB-CG 4.22Å; F280-R283 PolarHBondContact O-N 3.21Å; R283-E287 VanDerWaalsContact CA-OE2 3.27Å; R283-E287 WeakPolarHBondContact CA-OE2 3.49Å; R283-E287 VanDerWaalsContact CD-OE2 3.24Å; R283-E287 WeakPolarHBondContact CD-OE2 3.46Å; R283-E287 IonicContact CZ-OE1 3.8Å; R283-E287 IonicContact NH1-OE1 3.7Å; R283-E287 PolarHBondContact NH1-OE1 3.38Å
284K91.5Very high92.6Very high104 Ų10461.5 Ų61.545%0.45229%0.292SS..  trans-88.4154.7173.9-63.7-179.6176.8-179.40111.2D248 E277 S286 E287 L288D248-K284 IonicContact OD2-NZ 2.76Å; D248-K284 PolarHBondContact OD2-NZ 2.72Å; E277-K284 VanDerWaalsContact OE1-CA 3.24Å; E277-K284 WeakPolarHBondContact OE1-CA 3.39Å; K284-S286 PolarHBondContact O-N 2.95Å; K284-S286 VanDerWaalsContact O-N 3.09Å; K284-E287 PolarHBondContact N-OE2 3.15Å; K284-E287 WeakPolarHBondContact O-CA 3.28Å; K284-E287 WeakPolarHBondContact O-CB 3.42Å; K284-E287 PolarHBondContact O-N 3.04Å; K284-L288 PolarHBondContact O-N 3.43Å
285R93.5Very high92.6Very high107 Ų10754.9 Ų54.940%0.40427%0.266SS..Hα-helixtrans-49.1-37.5176169.9173.4168.9103.3-6.9112.9D272 F273 Y274 E277 E287 L288 V289D272-R285 IonicContact OD1-NH1 2.84Å; D272-R285 PolarHBondContact OD1-NH1 3.18Å; F273-R285 HydrophobicContact CB-CG 3.92Å; Y274-R285 VanDerWaalsContact CB-NH1 3.29Å; E277-R285 VanDerWaalsContact CD-N 3.29Å; E277-R285 PolarHBondContact OE1-N 3.04Å; E277-R285 WeakPolarHBondContact OE2-CB 3.31Å; R285-E287 VanDerWaalsContact C-N 3.33Å; R285-E287 PolarHBondContact O-N 2.94Å; R285-L288 PolarHBondContact O-N 2.82Å; R285-V289 WeakPolarHBondContact O-CG2 3.49Å; R285-V289 PolarHBondContact O-N 3.06Å
286S92.5Very high92.7Very high79 Ų7957 Ų5755%0.55227%0.273SS*.Hα-helixtrans-64.7-32.5176.5570000113.6K284 S290K284-S286 PolarHBondContact O-N 2.95Å; K284-S286 VanDerWaalsContact O-N 3.09Å; S286-S290 WeakPolarHBondContact O-CB 3.08Å; S286-S290 PolarHBondContact O-N 2.95Å; S286-S290 VanDerWaalsContact O-N 3.12Å; S286-S290 PolarHBondContact O-OG 3.39Å
287E93.1Very high92.8Very high31 Ų3165.4 Ų65.415%0.14531%0.309CS..Hα-helixtrans-73.2-37.9173-64.3-175.896.600111.7W254 R283 K284 R285 S290 K291W254-E287 HydrophobicContact CZ2-CB 4.41Å; R283-E287 VanDerWaalsContact CA-OE2 3.27Å; R283-E287 WeakPolarHBondContact CA-OE2 3.49Å; R283-E287 VanDerWaalsContact CD-OE2 3.24Å; R283-E287 WeakPolarHBondContact CD-OE2 3.46Å; R283-E287 IonicContact CZ-OE1 3.8Å; R283-E287 IonicContact NH1-OE1 3.7Å; R283-E287 PolarHBondContact NH1-OE1 3.38Å; K284-E287 PolarHBondContact N-OE2 3.15Å; K284-E287 WeakPolarHBondContact O-CA 3.28Å; K284-E287 WeakPolarHBondContact O-CB 3.42Å; K284-E287 PolarHBondContact O-N 3.04Å; R285-E287 VanDerWaalsContact C-N 3.33Å; R285-E287 PolarHBondContact O-N 2.94Å; E287-S290 CarbonylContact O-C 3.57Å; E287-S290 WeakPolarHBondContact O-CB 3.19Å; E287-S290 PolarHBondContact O-N 2.94Å; E287-K291 WeakPolarHBondContact O-CB 3.37Å; E287-K291 PolarHBondContact O-N 3.42Å
288L94.5Very high92.7Very high0 Ų067.7 Ų67.70%032%0.316CS..Hα-helixtrans-64.6-45.7175.9-69.9167.4000111.7W254 F262 F273 M276 E277 F280 K284 R285 S290 K291 F292W254-L288 HydrophobicContact CH2-CD2 3.9Å; F262-L288 HydrophobicContact CD2-CD2 3.95Å; F262-L288 HydrophobicContact CE2-CD2 4.31Å; F273-L288 HydrophobicContact CB-CB 4.39Å; F273-L288 HydrophobicContact CD1-CB 4.14Å; M276-L288 HydrophobicContact CB-CD1 4.2Å; M276-L288 HydrophobicContact CG-CD1 4.04Å; M276-L288 HydrophobicContact CG-CD2 4.25Å; M276-L288 HydrophobicContact SD-CD1 4.46Å; M276-L288 HydrophobicContact SD-CD2 3.96Å; E277-L288 HydrophobicContact CB-CD1 4.14Å; F280-L288 HydrophobicContact CD2-CD1 4.24Å; F280-L288 HydrophobicContact CD2-CD2 3.75Å; F280-L288 HydrophobicContact CE2-CD2 3.9Å; F280-L288 HydrophobicContact CG-CD2 4.25Å; F280-L288 HydrophobicContact CZ-CD2 4.48Å; K284-L288 PolarHBondContact O-N 3.43Å; R285-L288 PolarHBondContact O-N 2.82Å; L288-S290 VanDerWaalsContact C-N 3.27Å; L288-S290 PolarHBondContact O-N 3.03Å; L288-K291 WeakPolarHBondContact O-CB 3.04Å; L288-K291 PolarHBondContact O-N 3.45Å; L288-K291 VanDerWaalsContact O-N 3.14Å; L288-F292 PolarHBondContact O-N 2.87Å
289V94.9Very high92.8Very high38 Ų3863 Ų6323%0.2330%0.297CS..Hα-helixtrans-57.8-42.2171.2173.10000111F273 R285 K291 F292 K293F273-V289 HydrophobicContact CB-CG2 4.11Å; F273-V289 HydrophobicContact CD1-CG2 4.49Å; F273-V289 HydrophobicContact CD2-CG2 3.42Å; F273-V289 VanDerWaalsContact CD2-CG2 3.42Å; F273-V289 HydrophobicContact CE2-CG2 3.93Å; F273-V289 HydrophobicContact CG-CG2 3.74Å; R285-V289 WeakPolarHBondContact O-CG2 3.49Å; R285-V289 PolarHBondContact O-N 3.06Å; V289-K291 VanDerWaalsContact C-N 3.32Å; V289-K291 PolarHBondContact O-N 2.86Å; V289-F292 PolarHBondContact O-N 3.03Å; V289-K293 HydrophobicContact CG1-CD 4.3Å; V289-K293 WeakPolarHBondContact O-CG 3.5Å; V289-K293 PolarHBondContact O-N 2.88Å
290S94.1Very high93Very high65 Ų6566 Ų6646%0.45532%0.317SS..Hα-helixtrans-70.8-26178.6-61.10000113.5S286 E287 L288 R294S286-S290 WeakPolarHBondContact O-CB 3.08Å; S286-S290 PolarHBondContact O-N 2.95Å; S286-S290 VanDerWaalsContact O-N 3.12Å; S286-S290 PolarHBondContact O-OG 3.39Å; E287-S290 CarbonylContact O-C 3.57Å; E287-S290 WeakPolarHBondContact O-CB 3.19Å; E287-S290 PolarHBondContact O-N 2.94Å; L288-S290 VanDerWaalsContact C-N 3.27Å; L288-S290 PolarHBondContact O-N 3.03Å; S290-R294 WeakPolarHBondContact O-CB 3.47Å; S290-R294 PolarHBondContact O-N 3.15Å
291K94.8Very high93.1Very high4 Ų472.7 Ų72.72%0.01734%0.343CS..Hα-helixtrans-75.1-48.6172.1174.963.9169.3176.60110.1W254 T259 F262 E287 L288 V289 K293 R294 E295W254-K291 HydrophobicContact CD2-CB 4.47Å; W254-K291 HydrophobicContact CD2-CD 3.59Å; W254-K291 HydrophobicContact CD2-CG 4.06Å; W254-K291 HydrophobicContact CE3-CD 3.75Å; W254-K291 HydrophobicContact CE3-CG 3.97Å; W254-K291 HydrophobicContact CG-CD 4.07Å; W254-K291 HydrophobicContact CH2-CB 3.84Å; W254-K291 HydrophobicContact CH2-CD 4.42Å; W254-K291 HydrophobicContact CH2-CG 3.8Å; W254-K291 HydrophobicContact CZ2-CB 3.53Å; W254-K291 HydrophobicContact CZ2-CD 4.26Å; W254-K291 HydrophobicContact CZ2-CG 3.86Å; W254-K291 HydrophobicContact CZ3-CB 4.39Å; W254-K291 HydrophobicContact CZ3-CD 4.16Å; W254-K291 HydrophobicContact CZ3-CG 3.84Å; T259-K291 PolarHBondContact OG1-NZ 3.12Å; F262-K291 HydrophobicContact CD1-CG 4.02Å; F262-K291 HydrophobicContact CD2-CG 3.89Å; F262-K291 HydrophobicContact CE1-CG 3.99Å; F262-K291 HydrophobicContact CE2-CB 4.28Å; F262-K291 HydrophobicContact CE2-CG 3.86Å; F262-K291 HydrophobicContact CG-CG 3.98Å; F262-K291 HydrophobicContact CZ-CB 4.48Å; F262-K291 HydrophobicContact CZ-CG 3.92Å; E287-K291 WeakPolarHBondContact O-CB 3.37Å; E287-K291 PolarHBondContact O-N 3.42Å; L288-K291 WeakPolarHBondContact O-CB 3.04Å; L288-K291 PolarHBondContact O-N 3.45Å; L288-K291 VanDerWaalsContact O-N 3.14Å; V289-K291 VanDerWaalsContact C-N 3.32Å; V289-K291 PolarHBondContact O-N 2.86Å; K291-K293 PolarHBondContact O-N 3.38Å; K291-R294 WeakPolarHBondContact O-CA 3.31Å; K291-R294 WeakPolarHBondContact O-CB 3.43Å; K291-R294 PolarHBondContact O-N 3.27Å; K291-E295 HydrophobicContact CD-CG 3.89Å; K291-E295 WeakPolarHBondContact CD-OE1 3.23Å; K291-E295 VanDerWaalsContact CE-OE1 3.3Å; K291-E295 WeakPolarHBondContact CE-OE1 3.19Å; K291-E295 HydrophobicContact CG-CG 4.34Å; K291-E295 IonicContact NZ-OE1 2.65Å; K291-E295 PolarHBondContact NZ-OE1 3.21Å; K291-E295 WeakPolarHBondContact O-CG 3.33Å; K291-E295 PolarHBondContact O-N 3.04Å
292F96.1Very high93.3Very high27 Ų2768.2 Ų68.212%0.11831%0.314CS..Hα-helixtrans-53-54.6175.1-177-93.4000111.8F262 L266 T271 F273 L288 V289 R294 E295 E296 V303 L307F262-F292 HydrophobicContact CZ-CB 3.95Å; F262-F292 HydrophobicContact CZ-CD2 4.27Å; L266-F292 HydrophobicContact CD1-CD2 4.01Å; L266-F292 HydrophobicContact CD1-CE2 3.97Å; L266-F292 HydrophobicContact CD2-CD2 4.36Å; L266-F292 HydrophobicContact CD2-CE2 4.28Å; T271-F292 HydrophobicContact CG2-CE2 4.28Å; T271-F292 HydrophobicContact CG2-CZ 4.31Å; F273-F292 HydrophobicContact CE1-CB 3.69Å; F273-F292 HydrophobicContact CE1-CD2 4.16Å; F273-F292 AromaticContact CE1-CG 3.96Å; F273-F292 HydrophobicContact CE1-CG 3.96Å; F273-F292 HydrophobicContact CZ-CB 3.74Å; F273-F292 HydrophobicContact CZ-CD1 4.05Å; F273-F292 HydrophobicContact CZ-CD2 4.09Å; F273-F292 AromaticContact CZ-CG 3.67Å; F273-F292 HydrophobicContact CZ-CG 3.67Å; L288-F292 PolarHBondContact O-N 2.87Å; V289-F292 PolarHBondContact O-N 3.03Å; F292-R294 PolarHBondContact O-N 3.24Å; F292-E295 PolarHBondContact O-N 3.26Å; F292-E295 VanDerWaalsContact O-N 3.12Å; F292-E296 VanDerWaalsContact O-CB 3.29Å; F292-E296 WeakPolarHBondContact O-CB 3.4Å; F292-E296 PolarHBondContact O-N 3.26Å; F292-V303 HydrophobicContact CE2-CG1 3.69Å; F292-V303 HydrophobicContact CZ-CG1 4.02Å; F292-L307 HydrophobicContact CE2-CD1 4.39Å; F292-L307 HydrophobicContact CZ-CD1 4.5Å
293K95.7Very high93.6Very high124 Ų12462.3 Ų62.354%0.53929%0.292SS..Hα-helixtrans-62.4-14.2176.8-69.3-178.4178.8-174.90114.8V289 K291 K297V289-K293 HydrophobicContact CG1-CD 4.3Å; V289-K293 WeakPolarHBondContact O-CG 3.5Å; V289-K293 PolarHBondContact O-N 2.88Å; K291-K293 PolarHBondContact O-N 3.38Å; K293-K297 WeakPolarHBondContact O-CD 3.3Å; K293-K297 WeakPolarHBondContact O-CG 3.21Å
294R94.8Very high93.7Very high80 Ų8065.6 Ų65.630%0.30231%0.311SS..Hα-helixtrans-89.9-44.6174.1-178.2-170.1-60137.86110.8W254 S290 K291 F292 K297 R298W254-R294 VanDerWaalsContact CD1-NH1 3.3Å; S290-R294 WeakPolarHBondContact O-CB 3.47Å; S290-R294 PolarHBondContact O-N 3.15Å; K291-R294 WeakPolarHBondContact O-CA 3.31Å; K291-R294 WeakPolarHBondContact O-CB 3.43Å; K291-R294 PolarHBondContact O-N 3.27Å; F292-R294 PolarHBondContact O-N 3.24Å; R294-K297 PolarHBondContact O-N 2.85Å; R294-R298 WeakPolarHBondContact O-CG 3.4Å; R294-R298 PolarHBondContact O-N 3.09Å; R294-R298 VanDerWaalsContact O-N 3.16Å
295E94.6Very high93.7Very high2 Ų261.8 Ų61.81%0.00929%0.294CS..Hα-helixtrans-68.8-40.2178.3-64.2-42134.700111.6F262 Y263 K291 F292 K297 R298 N299 V303F262-E295 HydrophobicContact CE1-CG 4.13Å; Y263-E295 HydrophobicContact CE2-CG 4.31Å; Y263-E295 WeakPolarHBondContact OH-CB 3.36Å; Y263-E295 PolarHBondContact OH-OE2 3.45Å; Y263-E295 VanDerWaalsContact OH-OE2 3.1Å; K291-E295 HydrophobicContact CD-CG 3.89Å; K291-E295 WeakPolarHBondContact CD-OE1 3.23Å; K291-E295 VanDerWaalsContact CE-OE1 3.3Å; K291-E295 WeakPolarHBondContact CE-OE1 3.19Å; K291-E295 HydrophobicContact CG-CG 4.34Å; K291-E295 IonicContact NZ-OE1 2.65Å; K291-E295 PolarHBondContact NZ-OE1 3.21Å; K291-E295 WeakPolarHBondContact O-CG 3.33Å; K291-E295 PolarHBondContact O-N 3.04Å; F292-E295 PolarHBondContact O-N 3.26Å; F292-E295 VanDerWaalsContact O-N 3.12Å; E295-K297 PolarHBondContact O-N 3.45Å; E295-K297 VanDerWaalsContact O-N 3.13Å; E295-R298 PolarHBondContact O-N 2.88Å; E295-N299 CarbonylContact O-C 3.52Å; E295-N299 WeakPolarHBondContact O-CA 3.41Å; E295-N299 PolarHBondContact O-N 2.85Å; E295-N299 PolarHBondContact OE2-ND2 3.48Å; E295-N299 VanDerWaalsContact OE2-ND2 3.14Å; E295-V303 HydrophobicContact CB-CG2 3.83Å
296E94.9Very high93.7Very high95 Ų9556.7 Ų56.744%0.44428%0.275SS..THydrogen-bonded Turntrans-52.9-34.3171.2-179.8-178.3-136.900112.6F292F292-E296 VanDerWaalsContact O-CB 3.29Å; F292-E296 WeakPolarHBondContact O-CB 3.4Å; F292-E296 PolarHBondContact O-N 3.26Å
297K94.7Very high93.6Very high177 Ų17756 Ų5677%0.7727%0.265SS*.THydrogen-bonded Turntrans-89.9-12178.7-66.1-176.1-177.7-167.20114.8K293 R294 E295K293-K297 WeakPolarHBondContact O-CD 3.3Å; K293-K297 WeakPolarHBondContact O-CG 3.21Å; R294-K297 PolarHBondContact O-N 2.85Å; E295-K297 PolarHBondContact O-N 3.45Å; E295-K297 VanDerWaalsContact O-N 3.13Å
298R91.4Very high93.5Very high102 Ų10264.1 Ų64.139%0.38529%0.294SS..THydrogen-bonded Turntrans-106.5-54.1-178.3-77.4179.9168.8-113.6-11.5111.3R294 E295 P300 E380R294-R298 WeakPolarHBondContact O-CG 3.4Å; R294-R298 PolarHBondContact O-N 3.09Å; R294-R298 VanDerWaalsContact O-N 3.16Å; E295-R298 PolarHBondContact O-N 2.88Å; R298-P300 VanDerWaalsContact C-CD 3.41Å; R298-P300 WeakPolarHBondContact O-CD 3.34Å; R298-E380 IonicContact CZ-OE2 2.7Å; R298-E380 IonicContact NH1-OE1 3.31Å; R298-E380 PolarHBondContact NH1-OE1 3.19Å; R298-E380 IonicContact NH1-OE2 2.68Å; R298-E380 PolarHBondContact NH1-OE2 3.36Å
299N91.3Very high92.9Very high36 Ų3666.1 Ų66.119%0.19331%0.305CS..  trans-128.859.6-168.2-58-44.4000109.6E295 Y301 L302 V303E295-N299 CarbonylContact O-C 3.52Å; E295-N299 WeakPolarHBondContact O-CA 3.41Å; E295-N299 PolarHBondContact O-N 2.85Å; E295-N299 PolarHBondContact OE2-ND2 3.48Å; E295-N299 VanDerWaalsContact OE2-ND2 3.14Å; N299-Y301 PolarHBondContact O-N 3.36Å; N299-Y301 VanDerWaalsContact O-N 3.17Å; N299-L302 HydrophobicContact CB-CB 4.19Å; N299-L302 HydrophobicContact CB-CD1 3.73Å; N299-L302 HydrophobicContact CB-CG 3.96Å; N299-L302 PolarHBondContact O-N 2.83Å; N299-L302 VanDerWaalsContact O-N 3.17Å; N299-V303 PolarHBondContact O-N 3.02Å
300P93.3Very high92.2Very high66 Ų6673.9 Ų73.943%0.42933%0.33SS..Hα-helixtrans-59.7-28.8-177.524.5-34.4000112.5R298 N304R298-P300 VanDerWaalsContact C-CD 3.41Å; R298-P300 WeakPolarHBondContact O-CD 3.34Å; P300-N304 WeakPolarHBondContact O-CB 3.38Å; P300-N304 VanDerWaalsContact O-CG 3.29Å; P300-N304 PolarHBondContact O-N 3.22Å; P300-N304 PolarHBondContact O-ND2 3.03Å
301Y92.9Very high91.4Very high149 Ų14972.2 Ų72.258%0.58431%0.314SS*.Hα-helixtrans-59.8-54.3173.5174.2-106.7000112.1N299 V303 N304 Q305 D388N299-Y301 PolarHBondContact O-N 3.36Å; N299-Y301 VanDerWaalsContact O-N 3.17Å; Y301-V303 VanDerWaalsContact C-N 3.31Å; Y301-V303 PolarHBondContact O-N 2.96Å; Y301-N304 PolarHBondContact O-N 3.47Å; Y301-Q305 WeakPolarHBondContact O-CB 3.39Å; Y301-Q305 PolarHBondContact O-N 2.99Å; Y301-Q305 PolarHBondContact OH-OE1 3.17Å; Y301-D388 WeakPolarHBondContact CE1-OD1 3.46Å
302L92.1Very high90.4Very high4 Ų479.1 Ų79.12%0.02136%0.357CS..Hα-helixtrans-59.5-40.9179.9-57.5-178000112.2Y263 N299 Q305 A306 I387 D388Y263-L302 HydrophobicContact CD1-CB 4.16Å; Y263-L302 HydrophobicContact CE1-CB 3.45Å; Y263-L302 VanDerWaalsContact CE1-CB 3.45Å; Y263-L302 HydrophobicContact CE1-CD1 4.49Å; Y263-L302 HydrophobicContact CE2-CD1 4.48Å; N299-L302 HydrophobicContact CB-CB 4.19Å; N299-L302 HydrophobicContact CB-CD1 3.73Å; N299-L302 HydrophobicContact CB-CG 3.96Å; N299-L302 PolarHBondContact O-N 2.83Å; N299-L302 VanDerWaalsContact O-N 3.17Å; L302-Q305 PolarHBondContact O-N 2.84Å; L302-A306 WeakPolarHBondContact O-CB 3.42Å; L302-A306 PolarHBondContact O-N 3.19Å; L302-I387 HydrophobicContact CB-CG2 4.43Å; L302-I387 HydrophobicContact CD1-CB 4.32Å; L302-I387 HydrophobicContact CD1-CD1 3.88Å; L302-I387 HydrophobicContact CD1-CG2 4.2Å; L302-I387 HydrophobicContact CD2-CB 4.5Å; L302-I387 HydrophobicContact CD2-CG2 4.1Å; L302-I387 HydrophobicContact CG-CG2 4.49Å; L302-D388 VanDerWaalsContact CD2-CG 3.5Å; L302-D388 WeakPolarHBondContact CD2-OD1 3.4Å
303V94Very high88.9Confident5 Ų580.8 Ų80.83%0.0336%0.362CS..Hα-helixtrans-64-46.8177.5174.20000110.5Y263 L266 F292 E295 N299 Y301 A306 L307Y263-V303 HydrophobicContact CE1-CG2 3.95Å; L266-V303 HydrophobicContact CD2-CG1 4.29Å; F292-V303 HydrophobicContact CE2-CG1 3.69Å; F292-V303 HydrophobicContact CZ-CG1 4.02Å; E295-V303 HydrophobicContact CB-CG2 3.83Å; N299-V303 PolarHBondContact O-N 3.02Å; Y301-V303 VanDerWaalsContact C-N 3.31Å; Y301-V303 PolarHBondContact O-N 2.96Å; V303-A306 PolarHBondContact O-N 3.42Å; V303-L307 HydrophobicContact CG1-CD1 4.03Å; V303-L307 WeakPolarHBondContact O-CB 3.27Å; V303-L307 VanDerWaalsContact O-CG 3.3Å; V303-L307 WeakPolarHBondContact O-CG 3.38Å; V303-L307 PolarHBondContact O-N 3.11Å
304N93.7Very high87.4Confident83 Ų8380.2 Ų80.244%0.44437%0.365SS..Hα-helixtrans-65.4-38.8177.4-76.7-46.9000112.6P300 Y301 L307 R308P300-N304 WeakPolarHBondContact O-CB 3.38Å; P300-N304 VanDerWaalsContact O-CG 3.29Å; P300-N304 PolarHBondContact O-N 3.22Å; P300-N304 PolarHBondContact O-ND2 3.03Å; Y301-N304 PolarHBondContact O-N 3.47Å; N304-L307 PolarHBondContact O-N 2.73Å; N304-R308 WeakPolarHBondContact O-CB 3.33Å; N304-R308 WeakPolarHBondContact O-CG 3.47Å; N304-R308 PolarHBondContact O-N 3.11Å
305Q91.8Very high86.1Confident23 Ų2379.9 Ų79.911%0.10737%0.369CS..Hα-helixtrans-68-42.6177.5-175.6176-9.100111.8Y301 L302 L307 R308 N309 D388 L391Y301-Q305 WeakPolarHBondContact O-CB 3.39Å; Y301-Q305 PolarHBondContact O-N 2.99Å; Y301-Q305 PolarHBondContact OH-OE1 3.17Å; L302-Q305 PolarHBondContact O-N 2.84Å; Q305-L307 VanDerWaalsContact C-N 3.33Å; Q305-L307 PolarHBondContact O-N 3.16Å; Q305-R308 PolarHBondContact O-N 2.97Å; Q305-N309 VanDerWaalsContact O-CB 3.3Å; Q305-N309 WeakPolarHBondContact O-CB 3.41Å; Q305-N309 VanDerWaalsContact O-CG 3.32Å; Q305-N309 PolarHBondContact O-N 3.06Å; Q305-D388 PolarHBondContact OE1-OD1 3.15Å; Q305-D388 VanDerWaalsContact OE1-OD1 3.1Å; Q305-L391 HydrophobicContact CB-CD1 4.07Å; Q305-L391 HydrophobicContact CG-CB 4.27Å; Q305-L391 HydrophobicContact CG-CD1 3.89Å
306A91.8Very high84.6Confident0 Ų085.7 Ų85.70%040%0.399CS..Hα-helixtrans-61.2-41.3174.100000111.8Y263 L266 S267 L302 V303 N309 L391Y263-A306 HydrophobicContact CD1-CB 4.21Å; L266-A306 HydrophobicContact CB-CB 4.37Å; L266-A306 HydrophobicContact CD2-CB 3.99Å; L266-A306 HydrophobicContact CG-CB 4.21Å; S267-A306 VanDerWaalsContact CA-O 3.3Å; S267-A306 WeakPolarHBondContact CA-O 3.32Å; L302-A306 WeakPolarHBondContact O-CB 3.42Å; L302-A306 PolarHBondContact O-N 3.19Å; V303-A306 PolarHBondContact O-N 3.42Å; A306-N309 CarbonylContact O-C 3.6Å; A306-L391 HydrophobicContact CB-CD1 4.21Å; A306-L391 HydrophobicContact CB-CD2 4.36Å
307L92Very high83.1Confident64 Ų6487.3 Ų87.334%0.33541%0.411SS..Hα-helixtrans-73.3-32.4178.7-70.1173.5000113.8L266 T271 F292 V303 N304 Q305L266-L307 HydrophobicContact CD1-CD2 3.83Å; L266-L307 HydrophobicContact CD1-CG 4.48Å; L266-L307 HydrophobicContact CG-CD2 4.01Å; L266-L307 HydrophobicContact CG-CG 4.32Å; T271-L307 HydrophobicContact CG2-CD2 4.02Å; F292-L307 HydrophobicContact CE2-CD1 4.39Å; F292-L307 HydrophobicContact CZ-CD1 4.5Å; V303-L307 HydrophobicContact CG1-CD1 4.03Å; V303-L307 WeakPolarHBondContact O-CB 3.27Å; V303-L307 VanDerWaalsContact O-CG 3.3Å; V303-L307 WeakPolarHBondContact O-CG 3.38Å; V303-L307 PolarHBondContact O-N 3.11Å; N304-L307 PolarHBondContact O-N 2.73Å; Q305-L307 VanDerWaalsContact C-N 3.33Å; Q305-L307 PolarHBondContact O-N 3.16Å
308R90.4Very high81.6Confident202 Ų20279.5 Ų79.576%0.76238%0.377SS*.Hα-helixtrans-69.5-44.3173.1-76.2169.1179.1-174.2-1.4111.5N304 Q305 R310N304-R308 WeakPolarHBondContact O-CB 3.33Å; N304-R308 WeakPolarHBondContact O-CG 3.47Å; N304-R308 PolarHBondContact O-N 3.11Å; Q305-R308 PolarHBondContact O-N 2.97Å; R308-R310 PolarHBondContact O-N 3.2Å
309N81.4Confident80.3Confident42 Ų4278.7 Ų78.723%0.22538%0.377CS..SBendtrans-84.167.8180-61.6-8.6000109.6S267 Q305 A306 R311 T395S267-N309 PolarHBondContact OG-O 3.35Å; Q305-N309 VanDerWaalsContact O-CB 3.3Å; Q305-N309 WeakPolarHBondContact O-CB 3.41Å; Q305-N309 VanDerWaalsContact O-CG 3.32Å; Q305-N309 PolarHBondContact O-N 3.06Å; A306-N309 CarbonylContact O-C 3.6Å; N309-R311 PolarHBondContact O-N 2.88Å; N309-T395 WeakPolarHBondContact ND2-CG2 3.39Å
310R80.6Confident78.9Confident202 Ų20278.6 Ų78.676%0.76238%0.378SS*.  trans-69.8122.4173.7-171.7176.6-176.3-120.3-0.6109.5S267 R308S267-R310 CarbonylContact O-C 3.33Å; S267-R310 WeakPolarHBondContact O-CA 3.36Å; R308-R310 PolarHBondContact O-N 3.2Å
311R76.3Confident76.9Confident30 Ų3080.3 Ų80.311%0.11339%0.391CS..  trans-117.8140.5-173.7-69.2177.3-174.6139.7-31.3112.7S267 N309 Y313 V390 L391S267-R311 PolarHBondContact O-N 3.47Å; S267-R311 WeakPolarHBondContact OG-CD 3.43Å; S267-R311 PolarHBondContact OG-NH1 3.22Å; N309-R311 PolarHBondContact O-N 2.88Å; R311-Y313 VanDerWaalsContact C-N 3.29Å; R311-Y313 HydrophobicContact CB-CD2 3.7Å; R311-Y313 HydrophobicContact CB-CE2 3.76Å; R311-Y313 HydrophobicContact CB-CG 4.38Å; R311-Y313 VanDerWaalsContact CD-OH 3.29Å; R311-Y313 WeakPolarHBondContact CD-OH 3.45Å; R311-Y313 HydrophobicContact CG-CE2 4.18Å; R311-Y313 PolarHBondContact O-N 3.16Å; R311-Y313 VanDerWaalsContact O-N 3.16Å; R311-V390 PolarHBondContact NH2-O 3.15Å; R311-L391 VanDerWaalsContact NH2-CA 3.31Å; R311-L391 PolarHBondContact NH2-O 3.15Å
312T74.3Confident74.9Confident149 Ų14978.5 Ų78.591%0.91440%0.4SS*.  trans-84.768.7169.852.30000109.9
313Y65.5Low72.8Confident62 Ų6280.1 Ų80.124%0.24341%0.409CS..  trans-84.1140.1168.1-67.5-66.9000110.4T268 R311 L315 L318T268-Y313 HydrophobicContact CG2-CD2 4.31Å; T268-Y313 VanDerWaalsContact OG1-CD2 3.31Å; T268-Y313 WeakPolarHBondContact OG1-CD2 3.29Å; R311-Y313 VanDerWaalsContact C-N 3.29Å; R311-Y313 HydrophobicContact CB-CD2 3.7Å; R311-Y313 HydrophobicContact CB-CE2 3.76Å; R311-Y313 HydrophobicContact CB-CG 4.38Å; R311-Y313 VanDerWaalsContact CD-OH 3.29Å; R311-Y313 WeakPolarHBondContact CD-OH 3.45Å; R311-Y313 HydrophobicContact CG-CE2 4.18Å; R311-Y313 PolarHBondContact O-N 3.16Å; R311-Y313 VanDerWaalsContact O-N 3.16Å; Y313-L315 PolarHBondContact O-N 3.25Å; Y313-L315 VanDerWaalsContact O-N 3.13Å; Y313-L318 HydrophobicContact CD2-CD1 4.3Å; Y313-L318 HydrophobicContact CG-CD1 4.12Å
314D64.2Low70.9Confident111 Ų11185.2 Ų85.259%0.59443%0.433SS*.  trans-58.3116.8158.8-76.1-37.7000109.1I316 N317D314-I316 HydrophobicContact CB-CB 4.49Å; D314-I316 PolarHBondContact O-N 3.38Å; D314-N317 PolarHBondContact O-N 2.93Å
315L68.1Low68.8Low73 Ų7389.6 Ų89.638%0.38245%0.451SS..G310 helixtrans-52.6-33.3179.3-62.2172.7000110.9T268 I269 M279 Y313 N317 L318 F319T268-L315 HydrophobicContact CG2-CD2 3.82Å; I269-L315 HydrophobicContact CD1-CD2 4.31Å; I269-L315 HydrophobicContact CG1-CD2 4.01Å; M279-L315 HydrophobicContact CE-CB 4.13Å; M279-L315 WeakPolarHBondContact CE-O 3.42Å; Y313-L315 PolarHBondContact O-N 3.25Å; Y313-L315 VanDerWaalsContact O-N 3.13Å; L315-N317 PolarHBondContact O-N 3.47Å; L315-N317 VanDerWaalsContact O-N 3.15Å; L315-L318 PolarHBondContact O-N 3.09Å; L315-F319 HydrophobicContact CB-CE2 4.31Å; L315-F319 WeakPolarHBondContact O-CD2 3.33Å; L315-F319 PolarHBondContact O-N 3.34Å
316I62.2Low66.9Low124 Ų12495.4 Ų95.464%0.63648%0.478SS*.G310 helixtrans-44.8-44.7174.9-58.4169.5000111.8D314 L318 F319D314-I316 HydrophobicContact CB-CB 4.49Å; D314-I316 PolarHBondContact O-N 3.38Å; I316-L318 VanDerWaalsContact C-N 3.3Å; I316-L318 PolarHBondContact O-N 3.33Å; I316-F319 PolarHBondContact O-N 2.9Å
317N63.5Low64.7Low130 Ų130100.7 Ų100.770%0.69551%0.506SS*.G310 helixtrans-78.7-8-176-68.1-25.9000114.4D314 L315D314-N317 PolarHBondContact O-N 2.93Å; L315-N317 PolarHBondContact O-N 3.47Å; L315-N317 VanDerWaalsContact O-N 3.15Å
318L62.5Low62.4Low12 Ų12101.8 Ų101.86%0.06352%0.524CS..G310 helixtrans-95.8-15.2174.1-78.290.4000113R261 R264 A265 T268 M279 Y313 L315 I316R261-L318 WeakPolarHBondContact CD-O 3.32Å; R261-L318 PolarHBondContact NE-O 3.47Å; R264-L318 HydrophobicContact CB-CD2 3.88Å; A265-L318 HydrophobicContact CB-CD2 4.13Å; T268-L318 WeakPolarHBondContact OG1-CD2 3.45Å; M279-L318 HydrophobicContact CE-CB 3.47Å; M279-L318 VanDerWaalsContact CE-CB 3.47Å; Y313-L318 HydrophobicContact CD2-CD1 4.3Å; Y313-L318 HydrophobicContact CG-CD1 4.12Å; L315-L318 PolarHBondContact O-N 3.09Å; I316-L318 VanDerWaalsContact C-N 3.3Å; I316-L318 PolarHBondContact O-N 3.33Å
319F65.3Low60.1Low86 Ų86100.9 Ų100.938%0.37753%0.526SS..SBendtrans-61.9149.4173.5-73.9-88.1000110.9K278 M279 L315 I316 S321K278-F319 VanDerWaalsContact O-CE1 3.26Å; K278-F319 WeakPolarHBondContact O-CE1 3.29Å; M279-F319 HydrophobicContact CE-CD1 4.49Å; M279-F319 HydrophobicContact CE-CD2 3.71Å; M279-F319 HydrophobicContact CE-CE1 4.45Å; M279-F319 HydrophobicContact CE-CE2 3.68Å; M279-F319 HydrophobicContact CE-CG 4.14Å; M279-F319 HydrophobicContact CE-CZ 4.06Å; M279-F319 HydrophobicContact SD-CE1 4.16Å; M279-F319 HydrophobicContact SD-CE2 4.05Å; M279-F319 HydrophobicContact SD-CZ 3.83Å; L315-F319 HydrophobicContact CB-CE2 4.31Å; L315-F319 WeakPolarHBondContact O-CD2 3.33Å; L315-F319 PolarHBondContact O-N 3.34Å; I316-F319 PolarHBondContact O-N 2.9Å; F319-S321 VanDerWaalsContact C-N 3.29Å; F319-S321 PolarHBondContact O-N 3.4Å
320P60.6Low57.8Low33 Ų33103.9 Ų103.921%0.21455%0.547CS..  trans-7478-179.830.1-35.2000112.8P281 S322 D323P281-P320 HydrophobicContact CG-CG 3.78Å; P320-S322 PolarHBondContact O-N 3.2Å; P320-D323 HydrophobicContact CB-CB 4.16Å
321S51Low55.6Low102 Ų102101 Ų10171%0.71355%0.547SS*.SBendtrans-62.8103.2158.1-59.10000109.1F319F319-S321 VanDerWaalsContact C-N 3.29Å; F319-S321 PolarHBondContact O-N 3.4Å
322S50.8Low53.8Low111 Ų111108.2 Ų108.278%0.77658%0.579SS**SBendtrans71.127.4170.4-55.40000119.5P320 E324P320-S322 PolarHBondContact O-N 3.2Å; S322-E324 PolarHBondContact O-N 3.25Å
323D49.6Very low52.1Low38 Ų38106.1 Ų106.120%0.20357%0.571CS.*THydrogen-bonded Turntrans-82.16.4171.4-78.3-9.1000114.6R257 R261 P320 E325R257-D323 IonicContact CZ-OD1 2.82Å; R257-D323 VanDerWaalsContact CZ-OD1 3.31Å; R257-D323 IonicContact NE-OD1 3.35Å; R257-D323 IonicContact NH2-OD1 3.84Å; R257-D323 PolarHBondContact NH2-OD1 3.17Å; R261-D323 IonicContact CZ-OD2 2.72Å; R261-D323 IonicContact NH1-OD2 3.42Å; R261-D323 PolarHBondContact NH1-OD2 3.05Å; R261-D323 IonicContact NH2-OD2 3.59Å; R261-D323 PolarHBondContact NH2-OD2 3.16Å; P320-D323 HydrophobicContact CB-CB 4.16Å; D323-E325 PolarHBondContact O-N 2.98Å
324E52.6Low50.8Low112 Ų112108.3 Ų108.352%0.52360%0.595SS.*THydrogen-bonded Turntrans-79.8-8.5-167.8-73.9-70.5106.300115.2R282 S322R282-E324 IonicContact CZ-OE1 3.14Å; R282-E324 IonicContact CZ-OE2 2.65Å; R282-E324 IonicContact NE-OE1 3.51Å; R282-E324 PolarHBondContact NE-OE1 2.9Å; R282-E324 IonicContact NE-OE2 3.57Å; R282-E324 VanDerWaalsContact NH2-CD 3.27Å; R282-E324 IonicContact NH2-OE1 2.68Å; R282-E324 PolarHBondContact NH2-OE1 3.08Å; R282-E324 VanDerWaalsContact NH2-OE1 3.14Å; R282-E324 IonicContact NH2-OE2 3.35Å; R282-E324 PolarHBondContact NH2-OE2 2.9Å; S322-E324 PolarHBondContact O-N 3.25Å
325E50.3Low49.8Very low176 Ų176111.8 Ų111.882%0.82261%0.605SS**SBendtrans-94.8-22.8-166.6-160.1154.2-15300114.9D323 N327D323-E325 PolarHBondContact O-N 2.98Å; E325-N327 PolarHBondContact O-N 2.85Å
326E51.5Low48.4Very low145 Ų145112.4 Ų112.468%0.67862%0.615SS**THydrogen-bonded Turntrans-87.6-0.4-168.6-142.2-170.2146.700115.4R257R257-E326 IonicContact NH1-OE2 2.74Å; R257-E326 PolarHBondContact NH1-OE2 3.12Å
327N46.8Very low47.5Very low111 Ų111113.5 Ų113.559%0.59462%0.622SS**THydrogen-bonded Turntrans-112.48.6-178.7-83.7-92.5000114.7E325 K329E325-N327 PolarHBondContact O-N 2.85Å; N327-K329 VanDerWaalsContact C-N 3.35Å; N327-K329 PolarHBondContact O-N 2.73Å
328A43.2Very low46.8Very low86 Ų86118.7 Ų118.771%0.71163%0.632SS**  trans-68.491.9164.500000109.4
329K40.9Very low46Very low184 Ų184127.7 Ų127.780%0.867%0.671SS**  trans-56.3129.3177-64.1172.4-176.7169.70109.4N327 D331N327-K329 VanDerWaalsContact C-N 3.35Å; N327-K329 PolarHBondContact O-N 2.73Å; K329-D331 PolarHBondContact O-N 3.39Å
330P34.6Very low45Very low105 Ų105132 Ų13268%0.68269%0.689SS**  trans-66.1129.7159.928.2-32.3000108.2K332P330-K332 PolarHBondContact O-N 2.72Å
331D34.1Very low44.2Very low140 Ų140134.8 Ų134.875%0.74972%0.715SS**  trans-60108.5176.8-75-49.2000110.5K329 S333K329-D331 PolarHBondContact O-N 3.39Å; D331-S333 PolarHBondContact O-N 2.67Å
332K38.5Very low43.8Very low183 Ų183139.6 Ų139.680%0.79672%0.723SS**  trans-81.345.2176.9-67.8-174.8-179.8177.10111.6P330 S334P330-K332 PolarHBondContact O-N 2.72Å; K332-S334 VanDerWaalsContact C-N 3.3Å
333S37.4Very low43.4Very low105 Ų105139.5 Ų139.573%0.73472%0.721SS**  trans-79.5-9.2173.651.70000113.4D331D331-S333 PolarHBondContact O-N 2.67Å
334S38.9Very low43.1Very low107 Ų107144.3 Ų144.375%0.74875%0.747SS**SBendtrans-1149.9-169.858.60000116.5K332K332-S334 VanDerWaalsContact C-N 3.3Å
335K42.4Very low43.2Very low185 Ų185147.7 Ų147.780%0.80476%0.763SS**SBendtrans-130.94.1-172.9-119.4166.2-174.2166.20117.6
336S40.6Very low42.9Very low85 Ų85147.4 Ų147.459%0.59477%0.767SS**SBendtrans-82.3-30.7175.648.40000114.2R338S336-R338 PolarHBondContact O-N 3.24Å; S336-R338 VanDerWaalsContact O-N 3.13Å
337N41.8Very low42.4Very low148 Ų148145 Ų14579%0.79177%0.766SS**THydrogen-bonded Turntrans-70.4-9-172-75.1-4.4000115.6
338R48.7Very low42.5Very low238 Ų238147.1 Ų147.190%0.89878%0.776SS**THydrogen-bonded Turntrans-944.7-177.2-149.4171.1-177.3167.50.6115.1S336S336-R338 PolarHBondContact O-N 3.24Å; S336-R338 VanDerWaalsContact O-N 3.13Å
339K45.5Very low42.3Very low202 Ų202151.5 Ų151.588%0.87878%0.782SS**SBendtrans-115.9-2176.8-79.6-167174.2-171.90115.4
340K45.1Very low42.1Very low176 Ų176149.3 Ų149.377%0.76579%0.788SS**SBendtrans-96.2-14177.7-162.5161.6-178.6179.60114.3K342K340-K342 PolarHBondContact O-N 2.73Å
341A44.1Very low42.4Very low92 Ų92150.5 Ų150.576%0.7679%0.789SS**THydrogen-bonded Turntrans-93.331.9-178.600000114.6
342K42.8Very low42.3Very low203 Ų203151.1 Ų151.188%0.88379%0.787SS**THydrogen-bonded Turntrans-142.932.2178.2-157.2177.8174.4171.70112.7K340K340-K342 PolarHBondContact O-N 2.73Å
343C41.7Very low42.5Very low108 Ų108151.6 Ų151.673%0.7379%0.792SS**SBendtrans-128.5-1.1178.5-154.20000113.5
344D43Very low42.5Very low140 Ų140152 Ų15275%0.74980%0.795SS**SBendtrans-109.741.7-167.2-51.9-49.2000112
345Q55.8Low42.3Very low182 Ų182152.3 Ų152.385%0.8580%0.796SS**SBendtrans-134.1-7.7-178.5-131.6174.34.900116
346D43Very low42.1Very low170 Ų170150.9 Ų150.991%0.90980%0.797SS**  trans-10781.2172.6-62.1-35.1000109.2
347S42.4Very low42.4Very low95 Ų95156.1 Ų156.166%0.66481%0.812SS**  trans-116.7166.1170.856.70000110.4
348I47.7Very low42.4Very low156 Ų156156.9 Ų156.980%0.882%0.816SS**  trans103137.6174-54.8155.9000114.4
349E39Very low42.3Very low177 Ų177150.9 Ų150.983%0.82781%0.808SS**  trans67.390.5172.8-85.9176.5174.200119.8
350C37.6Very low41.9Very low138 Ų138149.1 Ų149.193%0.93281%0.808SS**  -163.3121104.6-92.50000109.5
351N39.2Very low42Very low131 Ų131144.7 Ų144.770%0.70181%0.805SS**  trans-95.4154-177.8-166.835.4000112.3
352E33.3Very low41.9Very low153 Ų153146.4 Ų146.472%0.71581%0.805SS**  trans5.3123.3159.5-68158160.900118.8
353Q42.8Very low41.9Very low193 Ų193142.6 Ų142.690%0.90280%0.804SS**  -170.5134.1113.2-102.5160.832.500114.9
354S36.1Very low42.3Very low113 Ų113146.2 Ų146.279%0.7981%0.808SS**  trans75.7118.6138.7-149.50000122.3
355C34.8Very low42.2Very low113 Ų113145.4 Ų145.476%0.76481%0.81SS**  trans87.3112.3137.9-132.40000121.5
356N39.3Very low41.7Very low155 Ų155146.3 Ų146.383%0.82981%0.811SS**  trans-49.8138160.6-49.7-65.5000113.2
357Q47.1Very low41.9Very low196 Ų196143.2 Ų143.292%0.91680%0.803SS**  trans-133.8141.3142.8-68.7-164.511.200109.8
358N42.1Very low42Very low164 Ų164149.6 Ų149.688%0.87781%0.813SS**  trans-83.3173.2-170-116.4-11.7000112
359P46.2Very low41.7Very low111 Ų111153.3 Ų153.372%0.72182%0.816SS**  trans-91.1138.3-157.834.9-36.1000114.2
360D36.9Very low41.7Very low165 Ų165154 Ų15488%0.88282%0.817SS**  trans-169.9111.6130.5-134-22.7000110.5
361A46.1Very low41.9Very low84 Ų84152.6 Ų152.669%0.69481%0.809SS**  trans-174.9101167.700000113.4S363A361-S363 PolarHBondContact O-N 3.05Å
362T42.9Very low42Very low127 Ų127151.6 Ų151.678%0.77981%0.807SS**  trans36.786.1143.562.70000117.7K364T362-K364 PolarHBondContact O-N 2.99Å
363S43.8Very low42.6Very low123 Ų123150.3 Ų150.386%0.8680%0.804SS**  trans-69.7104.2169.564.60000111.2A361A361-S363 PolarHBondContact O-N 3.05Å
364K49.5Very low43Very low184 Ų184152.4 Ų152.480%0.880%0.804SS**  trans-58.5135.2172.7-69177.3-179.8173.50109.5T362 K366T362-K364 PolarHBondContact O-N 2.99Å; K364-K366 PolarHBondContact O-N 2.83Å
365P39.8Very low44.1Very low124 Ų124151.8 Ų151.881%0.80578%0.784SS**  trans-63.4115.2-179.725.2-33.2000109.6S367P365-S367 VanDerWaalsContact C-N 3.33Å; P365-S367 PolarHBondContact O-N 2.97Å
366K46.9Very low45.7Very low200 Ų200152 Ų15287%0.8778%0.778SS**  trans-62.196.6172.6-76-178.6178.6174.50108.5K364 R368K364-K366 PolarHBondContact O-N 2.83Å; K366-R368 VanDerWaalsContact C-N 3.32Å; K366-R368 PolarHBondContact O-N 3.3Å
367S46.5Very low47.3Very low105 Ų105148.8 Ų148.873%0.73477%0.765SS**  trans-58.194.8175.4-179.10000109.4P365 R369P365-S367 VanDerWaalsContact C-N 3.33Å; P365-S367 PolarHBondContact O-N 2.97Å; S367-R369 PolarHBondContact O-N 2.93Å
368R44.5Very low48.8Very low230 Ų230145 Ų14587%0.86875%0.752SS**  trans-65.786.5168-80.4177.45797.93.5107K366 K370K366-R368 VanDerWaalsContact C-N 3.32Å; K366-R368 PolarHBondContact O-N 3.3Å; R368-K370 VanDerWaalsContact C-N 3.32Å; R368-K370 PolarHBondContact O-N 3.12Å
369R42.4Very low50.5Low233 Ų233140.8 Ų140.888%0.87973%0.726SS**  trans-50.8104.3163-62.9-177.387.21504.7105.6S367 S371S367-R369 PolarHBondContact O-N 2.93Å; R369-S371 PolarHBondContact O-N 2.98Å
370K38.4Very low52Low191 Ų191137 Ų13783%0.8370%0.698SS**  trans-54.7116.2173-81.5172.6178.2166.20104.9R368 V372R368-K370 VanDerWaalsContact C-N 3.32Å; R368-K370 PolarHBondContact O-N 3.12Å; K370-V372 HydrophobicContact CB-CG2 4.45Å; K370-V372 PolarHBondContact O-N 3.05Å
371S40.4Very low54.1Low110 Ų110133 Ų13377%0.76968%0.677SS**  trans-64.977.5157.445.80000106.5R369 L373R369-S371 PolarHBondContact O-N 2.98Å; S371-L373 VanDerWaalsContact C-N 3.26Å; S371-L373 PolarHBondContact O-N 3.35Å
372V41.8Very low55.9Low109 Ų109133.9 Ų133.966%0.66167%0.666SS**  trans-51109151178.60000102.8K370 R374K370-V372 HydrophobicContact CB-CG2 4.45Å; K370-V372 PolarHBondContact O-N 3.05Å; V372-R374 PolarHBondContact O-N 3.45Å
373L47.3Very low57.8Low126 Ų126128.2 Ų128.266%0.6663%0.631SS**  trans-53.799.7167.9-72.9170.3000104.9S371 R375S371-L373 VanDerWaalsContact C-N 3.26Å; S371-L373 PolarHBondContact O-N 3.35Å; L373-R375 PolarHBondContact O-N 3.09Å
374R49.5Very low59.6Low238 Ų238123.3 Ų123.390%0.89860%0.597SS**  trans-62100.8167.8-74.1-168.4176.6-166.3-0.8103.2V372V372-R374 PolarHBondContact O-N 3.45Å
375R59.1Low61.4Low100 Ų100120.4 Ų120.438%0.37759%0.586SS.*  trans-75.6144.3168.1-64.8177.9-168.4171.70.9105.8L373 E380L373-R375 PolarHBondContact O-N 3.09Å; R375-E380 HydrophobicContact CB-CG 4.47Å; R375-E380 WeakPolarHBondContact CD-OE1 3.41Å; R375-E380 IonicContact CZ-OE1 2.73Å; R375-E380 IonicContact NE-OE1 2.67Å; R375-E380 IonicContact NH1-OE1 3.28Å; R375-E380 PolarHBondContact NH1-OE1 3.35Å
376D68.8Low63.5Low116 Ų116116.5 Ų116.562%0.6256%0.56SS**  trans-59.4123.3178.2-51.1-64.5000107.5D378 F379 E380D376-D378 PolarHBondContact O-N 3.4Å; D376-F379 HydrophobicContact CB-CB 4.41Å; D376-F379 WeakPolarHBondContact O-CB 3.3Å; D376-F379 PolarHBondContact O-N 2.99Å; D376-E380 PolarHBondContact O-N 3.25Å
377P74.2Confident65.2Low88 Ų88107 Ų10757%0.57152%0.519SS*.Hα-helixtrans-60.4-35.8-175.123.2-31.9000110.7F379 E380 L381P377-F379 PolarHBondContact O-N 3.37Å; P377-E380 PolarHBondContact O-N 3.13Å; P377-E380 VanDerWaalsContact O-N 3.1Å; P377-L381 WeakPolarHBondContact O-CG 3.46Å; P377-L381 PolarHBondContact O-N 3.36Å
378D78.5Confident67Low118 Ų118104 Ų10463%0.63149%0.494SS*.Hα-helixtrans-56.6-35176-45.6-16.9000112.2D376 H382D376-D378 PolarHBondContact O-N 3.4Å; D378-H382 VanDerWaalsContact O-CB 3.29Å; D378-H382 WeakPolarHBondContact O-CB 3.26Å; D378-H382 PolarHBondContact O-N 2.97Å
379F77Confident68.8Low75 Ų7595.7 Ų95.733%0.32947%0.471SS..Hα-helixtrans-70.5-42.9175.5173.5-93.4000112.2E256 D376 P377 L381 L383E256-F379 HydrophobicContact CB-CE2 3.9Å; E256-F379 HydrophobicContact CB-CZ 3.94Å; D376-F379 HydrophobicContact CB-CB 4.41Å; D376-F379 WeakPolarHBondContact O-CB 3.3Å; D376-F379 PolarHBondContact O-N 2.99Å; P377-F379 PolarHBondContact O-N 3.37Å; F379-L381 VanDerWaalsContact C-N 3.33Å; F379-L383 HydrophobicContact CE1-CD2 4.01Å; F379-L383 HydrophobicContact CZ-CD2 4.31Å; F379-L383 WeakPolarHBondContact O-CB 3.46Å; F379-L383 PolarHBondContact O-N 3.05Å
380E78.4Confident70.6Confident30 Ų3085.3 Ų85.314%0.1443%0.433CS..Hα-helixtrans-72.2-30.9177.9-59.2-98.4159.500110.9R298 R375 D376 P377 S384R298-E380 IonicContact CZ-OE2 2.7Å; R298-E380 IonicContact NH1-OE1 3.31Å; R298-E380 PolarHBondContact NH1-OE1 3.19Å; R298-E380 IonicContact NH1-OE2 2.68Å; R298-E380 PolarHBondContact NH1-OE2 3.36Å; R375-E380 HydrophobicContact CB-CG 4.47Å; R375-E380 WeakPolarHBondContact CD-OE1 3.41Å; R375-E380 IonicContact CZ-OE1 2.73Å; R375-E380 IonicContact NE-OE1 2.67Å; R375-E380 IonicContact NH1-OE1 3.28Å; R375-E380 PolarHBondContact NH1-OE1 3.35Å; D376-E380 PolarHBondContact O-N 3.25Å; P377-E380 PolarHBondContact O-N 3.13Å; P377-E380 VanDerWaalsContact O-N 3.1Å; E380-S384 WeakPolarHBondContact O-CB 3.44Å; E380-S384 PolarHBondContact O-N 3.34Å; E380-S384 PolarHBondContact O-OG 3.13Å
381L80.7Confident72.5Confident83 Ų8376.2 Ų76.244%0.43539%0.394SS..Hα-helixtrans-64.7-56.7171-75.3173.2000111.5P377 F379 L383 S384 E385P377-L381 WeakPolarHBondContact O-CG 3.46Å; P377-L381 PolarHBondContact O-N 3.36Å; F379-L381 VanDerWaalsContact C-N 3.33Å; L381-L383 VanDerWaalsContact C-N 3.25Å; L381-L383 PolarHBondContact O-N 2.76Å; L381-S384 WeakPolarHBondContact CA-OG 3.35Å; L381-S384 CarbonylContact O-C 3.37Å; L381-S384 WeakPolarHBondContact O-CA 3.44Å; L381-S384 PolarHBondContact O-N 3.47Å; L381-S384 PolarHBondContact O-OG 3.13Å; L381-E385 WeakPolarHBondContact O-CG 3.38Å; L381-E385 PolarHBondContact O-N 3.22Å
382H83.1Confident74.3Confident102 Ų10273.1 Ų73.147%0.47237%0.372SS..Hα-helixtrans-57.3-39.6178.5-176.664.2000112.4E256 D378 E385 T386E256-H382 IonicContact OE1-CD2 3.99Å; E256-H382 PolarHBondContact OE1-CD2 2.65Å; D378-H382 VanDerWaalsContact O-CB 3.29Å; D378-H382 WeakPolarHBondContact O-CB 3.26Å; D378-H382 PolarHBondContact O-N 2.97Å; H382-E385 PolarHBondContact O-N 3.31Å; H382-T386 VanDerWaalsContact O-CB 3.24Å; H382-T386 WeakPolarHBondContact O-CB 3.42Å; H382-T386 PolarHBondContact O-N 3.28Å; H382-T386 PolarHBondContact O-OG1 3.38Å
383L83.3Confident75.5Confident7 Ų771.9 Ų71.94%0.03736%0.359CS..Hα-helixtrans-63.2-44.9173.8177.659.2000111.3E256 T259 F379 L381 T386 I387E256-L383 HydrophobicContact CB-CD1 4.35Å; E256-L383 HydrophobicContact CG-CD1 3.91Å; E256-L383 WeakPolarHBondContact OE1-CA 3.36Å; T259-L383 HydrophobicContact CG2-CD1 4.13Å; T259-L383 HydrophobicContact CG2-CD2 3.97Å; T259-L383 HydrophobicContact CG2-CG 4.39Å; F379-L383 HydrophobicContact CE1-CD2 4.01Å; F379-L383 HydrophobicContact CZ-CD2 4.31Å; F379-L383 WeakPolarHBondContact O-CB 3.46Å; F379-L383 PolarHBondContact O-N 3.05Å; L381-L383 VanDerWaalsContact C-N 3.25Å; L381-L383 PolarHBondContact O-N 2.76Å; L383-T386 PolarHBondContact O-N 2.74Å; L383-I387 HydrophobicContact CD1-CD1 3.8Å; L383-I387 HydrophobicContact CD1-CG1 4.25Å; L383-I387 HydrophobicContact CG-CD1 3.79Å; L383-I387 WeakPolarHBondContact O-CB 3.31Å; L383-I387 WeakPolarHBondContact O-CD1 3.27Å; L383-I387 WeakPolarHBondContact O-CG1 3.42Å; L383-I387 PolarHBondContact O-N 2.86Å
384S82.6Confident75.9Confident20 Ų2070.8 Ų70.814%0.1435%0.349CS..Hα-helixtrans-63.8-43.3177.168.50000112.6E380 L381 I387 D388E380-S384 WeakPolarHBondContact O-CB 3.44Å; E380-S384 PolarHBondContact O-N 3.34Å; E380-S384 PolarHBondContact O-OG 3.13Å; L381-S384 WeakPolarHBondContact CA-OG 3.35Å; L381-S384 CarbonylContact O-C 3.37Å; L381-S384 WeakPolarHBondContact O-CA 3.44Å; L381-S384 PolarHBondContact O-N 3.47Å; L381-S384 PolarHBondContact O-OG 3.13Å; S384-I387 PolarHBondContact O-N 2.95Å; S384-D388 WeakPolarHBondContact O-CB 3.24Å; S384-D388 PolarHBondContact O-N 3.37Å
385E85.6Confident76.3Confident123 Ų12362.6 Ų62.658%0.57533%0.326SS*.Hα-helixtrans-63.9-40.6174.6-70.1175179.100111.8L381 H382 D388 C389L381-E385 WeakPolarHBondContact O-CG 3.38Å; L381-E385 PolarHBondContact O-N 3.22Å; H382-E385 PolarHBondContact O-N 3.31Å; E385-D388 PolarHBondContact O-N 3.48Å; E385-C389 WeakPolarHBondContact O-CB 3.42Å; E385-C389 PolarHBondContact O-N 3.15Å
386T85.1Confident75.9Confident42 Ų4262.1 Ų62.126%0.25833%0.331SS..Hα-helixtrans-63.9-42.3175.3-65.80000111.4H382 L383 V390H382-T386 VanDerWaalsContact O-CB 3.24Å; H382-T386 WeakPolarHBondContact O-CB 3.42Å; H382-T386 PolarHBondContact O-N 3.28Å; H382-T386 PolarHBondContact O-OG1 3.38Å; L383-T386 PolarHBondContact O-N 2.74Å; T386-V390 WeakPolarHBondContact O-CB 3.34Å; T386-V390 VanDerWaalsContact O-CG2 3.27Å; T386-V390 WeakPolarHBondContact O-CG2 3.13Å; T386-V390 PolarHBondContact O-N 3.34Å
387I82.2Confident75Confident2 Ų261.1 Ų61.11%0.0133%0.333CS..Hα-helixtrans-64.9-49174.5-66.6155.4000109.9T259 Y263 L302 L383 S384 C389 V390 L391T259-I387 HydrophobicContact CG2-CD1 4.27Å; Y263-I387 HydrophobicContact CD1-CG2 4.1Å; Y263-I387 HydrophobicContact CD2-CD1 3.36Å; Y263-I387 HydrophobicContact CD2-CG1 3.83Å; Y263-I387 HydrophobicContact CD2-CG2 4.01Å; Y263-I387 HydrophobicContact CE2-CD1 3.39Å; Y263-I387 HydrophobicContact CE2-CG1 4.35Å; Y263-I387 HydrophobicContact CG-CD1 4.22Å; Y263-I387 HydrophobicContact CG-CG1 4.34Å; Y263-I387 HydrophobicContact CG-CG2 3.72Å; L302-I387 HydrophobicContact CB-CG2 4.43Å; L302-I387 HydrophobicContact CD1-CB 4.32Å; L302-I387 HydrophobicContact CD1-CD1 3.88Å; L302-I387 HydrophobicContact CD1-CG2 4.2Å; L302-I387 HydrophobicContact CD2-CB 4.5Å; L302-I387 HydrophobicContact CD2-CG2 4.1Å; L302-I387 HydrophobicContact CG-CG2 4.49Å; L383-I387 HydrophobicContact CD1-CD1 3.8Å; L383-I387 HydrophobicContact CD1-CG1 4.25Å; L383-I387 HydrophobicContact CG-CD1 3.79Å; L383-I387 WeakPolarHBondContact O-CB 3.31Å; L383-I387 WeakPolarHBondContact O-CD1 3.27Å; L383-I387 WeakPolarHBondContact O-CG1 3.42Å; L383-I387 PolarHBondContact O-N 2.86Å; S384-I387 PolarHBondContact O-N 2.95Å; I387-C389 VanDerWaalsContact C-N 3.34Å; I387-C389 PolarHBondContact O-N 3.05Å; I387-V390 CarbonylContact O-C 3.32Å; I387-V390 WeakPolarHBondContact O-CA 3.24Å; I387-V390 WeakPolarHBondContact O-CB 3.28Å; I387-V390 PolarHBondContact O-N 2.97Å; I387-V390 VanDerWaalsContact O-N 3.13Å; I387-L391 HydrophobicContact CG2-CD1 3.8Å; I387-L391 HydrophobicContact CG2-CG 4.01Å; I387-L391 WeakPolarHBondContact O-CB 3.02Å; I387-L391 VanDerWaalsContact O-CG 3.28Å; I387-L391 WeakPolarHBondContact O-CG 3.45Å; I387-L391 PolarHBondContact O-N 3Å
388D83.5Confident73.7Confident40 Ų4064.9 Ų64.921%0.21435%0.348CS..Hα-helixtrans-61.4-39.9179.7-83.9-22.8000112.4Y301 L302 Q305 S384 E385 L391 S392Y301-D388 WeakPolarHBondContact CE1-OD1 3.46Å; L302-D388 VanDerWaalsContact CD2-CG 3.5Å; L302-D388 WeakPolarHBondContact CD2-OD1 3.4Å; Q305-D388 PolarHBondContact OE1-OD1 3.15Å; Q305-D388 VanDerWaalsContact OE1-OD1 3.1Å; S384-D388 WeakPolarHBondContact O-CB 3.24Å; S384-D388 PolarHBondContact O-N 3.37Å; E385-D388 PolarHBondContact O-N 3.48Å; D388-L391 CarbonylContact O-C 3.57Å; D388-L391 PolarHBondContact O-N 3.44Å; D388-S392 WeakPolarHBondContact O-CB 3.39Å; D388-S392 PolarHBondContact O-N 2.72Å
389C83.8Confident72Confident56 Ų5662.9 Ų62.938%0.37835%0.348SS..Hα-helixtrans-61.1-48.2172.7-169.10000110.7E385 I387 L391 S392 Q393E385-C389 WeakPolarHBondContact O-CB 3.42Å; E385-C389 PolarHBondContact O-N 3.15Å; I387-C389 VanDerWaalsContact C-N 3.34Å; I387-C389 PolarHBondContact O-N 3.05Å; C389-L391 VanDerWaalsContact C-N 3.28Å; C389-L391 PolarHBondContact O-N 3.37Å; C389-S392 PolarHBondContact O-N 3Å; C389-Q393 WeakPolarHBondContact O-CB 3.36Å; C389-Q393 WeakPolarHBondContact O-CG 3.49Å; C389-Q393 PolarHBondContact O-N 3.14Å; C389-Q393 PolarHBondContact SG-NE2 3.46Å
390V78.7Confident70.1Confident15 Ų1562.2 Ų62.29%0.09136%0.363CS..Hα-helixtrans-64.3-27.9174.2166.50000113T260 R264 R311 T386 I387T260-V390 HydrophobicContact CG2-CG2 4.3Å; R264-V390 HydrophobicContact CG-CG1 3.76Å; R264-V390 VanDerWaalsContact NE-CG1 3.34Å; R311-V390 PolarHBondContact NH2-O 3.15Å; T386-V390 WeakPolarHBondContact O-CB 3.34Å; T386-V390 VanDerWaalsContact O-CG2 3.27Å; T386-V390 WeakPolarHBondContact O-CG2 3.13Å; T386-V390 PolarHBondContact O-N 3.34Å; I387-V390 CarbonylContact O-C 3.32Å; I387-V390 WeakPolarHBondContact O-CA 3.24Å; I387-V390 WeakPolarHBondContact O-CB 3.28Å; I387-V390 PolarHBondContact O-N 2.97Å; I387-V390 VanDerWaalsContact O-N 3.13Å
391L79.9Confident68.1Low0 Ų069 Ų690%040%0.4CS..Hα-helixtrans-82.1-33175.8-68.2-173.6000112.2Q305 A306 R311 I387 D388 C389Q305-L391 HydrophobicContact CB-CD1 4.07Å; Q305-L391 HydrophobicContact CG-CB 4.27Å; Q305-L391 HydrophobicContact CG-CD1 3.89Å; A306-L391 HydrophobicContact CB-CD1 4.21Å; A306-L391 HydrophobicContact CB-CD2 4.36Å; R311-L391 VanDerWaalsContact NH2-CA 3.31Å; R311-L391 PolarHBondContact NH2-O 3.15Å; I387-L391 HydrophobicContact CG2-CD1 3.8Å; I387-L391 HydrophobicContact CG2-CG 4.01Å; I387-L391 WeakPolarHBondContact O-CB 3.02Å; I387-L391 VanDerWaalsContact O-CG 3.28Å; I387-L391 WeakPolarHBondContact O-CG 3.45Å; I387-L391 PolarHBondContact O-N 3Å; D388-L391 CarbonylContact O-C 3.57Å; D388-L391 PolarHBondContact O-N 3.44Å; C389-L391 VanDerWaalsContact C-N 3.28Å; C389-L391 PolarHBondContact O-N 3.37Å
392S77.4Confident66.6Low46 Ų4676 Ų7632%0.32242%0.42SS..Hα-helixtrans-89.4-30-174.9-175.30000114.4D388 C389 F394 T395 N396D388-S392 WeakPolarHBondContact O-CB 3.39Å; D388-S392 PolarHBondContact O-N 2.72Å; C389-S392 PolarHBondContact O-N 3Å; S392-F394 PolarHBondContact O-N 3.4Å; S392-T395 PolarHBondContact O-N 2.96Å; S392-T395 PolarHBondContact O-OG1 3.4Å; S392-T395 VanDerWaalsContact O-OG1 3.05Å; S392-N396 PolarHBondContact O-ND2 2.65Å
393Q67.5Low64.5Low83 Ų8380 Ų8039%0.38844%0.436SS..THydrogen-bonded Turntrans-52.9-17.4177-84.6171.621.300114.5C389C389-Q393 WeakPolarHBondContact O-CB 3.36Å; C389-Q393 WeakPolarHBondContact O-CG 3.49Å; C389-Q393 PolarHBondContact O-N 3.14Å; C389-Q393 PolarHBondContact SG-NE2 3.46Å
394F55.8Low62.4Low102 Ų10283.9 Ų83.945%0.44746%0.463SS..THydrogen-bonded Turntrans-123.40.8-176.5-51.8-83.9000113.8S392S392-F394 PolarHBondContact O-N 3.4Å
395T56.8Low60.4Low66 Ų6690.8 Ų90.841%0.40549%0.493SS..THydrogen-bonded Turntrans-83.9-20169.153.40000112.2N309 S392N309-T395 WeakPolarHBondContact ND2-CG2 3.39Å; S392-T395 PolarHBondContact O-N 2.96Å; S392-T395 PolarHBondContact O-OG1 3.4Å; S392-T395 VanDerWaalsContact O-OG1 3.05Å
396N50.6Low58.3Low90 Ų9089.4 Ų89.448%0.48150%0.497SS..SBendtrans-99.86.6-175.3-52.7-31.7000112.6S392 D398 A399S392-N396 PolarHBondContact O-ND2 2.65Å; N396-D398 PolarHBondContact O-N 3.37Å; N396-A399 CarbonylContact O-C 3.54Å; N396-A399 WeakPolarHBondContact O-CA 3.31Å; N396-A399 PolarHBondContact O-N 3.06Å
397S50.3Low56.3Low95 Ų9595.1 Ų95.166%0.66452%0.524SS*.THydrogen-bonded Turntrans-72.7-4.5-179.8-56.90000114.3
398D46.7Very low54.1Low168 Ų168103.1 Ų103.190%0.89856%0.562SS**THydrogen-bonded Turntrans-97.36.8166.3-153.225.3000111.8N396N396-D398 PolarHBondContact O-N 3.37Å
399A43.9Very low52Low75 Ų75108.6 Ų108.662%0.6259%0.591SS**SBendtrans-148.157.2-171.500000113.8N396N396-A399 CarbonylContact O-C 3.54Å; N396-A399 WeakPolarHBondContact O-CA 3.31Å; N396-A399 PolarHBondContact O-N 3.06Å
400G36.7Very low50Low62 Ų62112.5 Ų112.564%0.63961%0.613SS**  trans75129.4155.700000117.5R402G400-R402 PolarHBondContact O-N 3.12Å; G400-R402 VanDerWaalsContact O-N 3.07Å
401D35.5Very low47.9Very low172 Ų172115.7 Ų115.792%0.9265%0.649SS**  trans-42.3109.5178.1-79.1-58.9000114.9
402R48.9Very low46Very low230 Ų230121.1 Ų121.187%0.86869%0.687SS**  trans-127.695.3158.3-68.1-167.7-169.6172.66.3109.9G400 C404G400-R402 PolarHBondContact O-N 3.12Å; G400-R402 VanDerWaalsContact O-N 3.07Å; R402-C404 PolarHBondContact O-N 3.42Å
403K39.1Very low44.1Very low186 Ų186126.5 Ų126.581%0.80971%0.712SS**  trans-53.297.1174.4-173.6173.3-175.5173.80111Q405K403-Q405 PolarHBondContact O-N 3.41Å
404C39.8Very low43Very low88 Ų88131.4 Ų131.460%0.59574%0.735SS**  trans-65104169.8-67.20000109.1R402 S406R402-C404 PolarHBondContact O-N 3.42Å; C404-S406 PolarHBondContact O-N 3.38Å
405Q41.8Very low42.1Very low165 Ų165134.8 Ų134.877%0.77175%0.752SS**  trans-71.6128.4174.5-63.9-173.214.600109.3K403 I407K403-Q405 PolarHBondContact O-N 3.41Å; Q405-I407 PolarHBondContact O-N 3.39Å
406S41Very low41Very low94 Ų94139.8 Ų139.866%0.65777%0.769SS**  trans-63.5125176.7172.90000110C404 Q408C404-S406 PolarHBondContact O-N 3.38Å; S406-Q408 VanDerWaalsContact C-N 3.34Å; S406-Q408 PolarHBondContact O-N 2.68Å
407I42.6Very low40.3Very low163 Ų163145 Ų14584%0.83679%0.787SS**  trans-71.193.7169.1-58.4174.1000108Q405Q405-I407 PolarHBondContact O-N 3.39Å
408Q36.1Very low39.9Very low169 Ų169150 Ų15079%0.7979%0.791SS**  trans-122.383.1158.7-72.5-170.422.600107.2S406S406-Q408 VanDerWaalsContact C-N 3.34Å; S406-Q408 PolarHBondContact O-N 2.68Å
409D39.6Very low39.3Very low156 Ų156149.5 Ų149.583%0.83479%0.789SS**  trans-125.7130.9169.5-89.7-50.3000111.1
410T41.8Very low39.2Very low138 Ų138151.5 Ų151.585%0.84779%0.793SS**  trans-92.6131.9-170.149.50000111.7
411G34.7Very low39.3Very low81 Ų81156.1 Ų156.184%0.83580%0.803SS**  trans49101.2144.700000119.4
412S40Very low39.6Very low114 Ų114155.5 Ų155.580%0.79779%0.794SS**  trans-155.6111.7144.9-175.20000110.3Q414S412-Q414 PolarHBondContact O-N 3.08Å
413D36.8Very low38.8Very low159 Ų159154 Ų15485%0.8579%0.789SS**  trans-68.7117.2172.9-81.4-57.7000110.7
414Q43.5Very low38.7Very low187 Ų187155.6 Ų155.687%0.87479%0.791SS**  trans-155.4123141.7-118.1156.597.300115.2S412S412-Q414 PolarHBondContact O-N 3.08Å
415Q38.5Very low38.7Very low173 Ų173157.4 Ų157.481%0.80879%0.791SS**  trans-28.2120.5176.8-51.2-179.919.700117.2
416F33.8Very low38.3Very low170 Ų170157.4 Ų157.475%0.74679%0.789SS**  trans-139.796.9141.4-106-72.1000111.8R418F416-R418 PolarHBondContact O-N 3.2Å
417K34.9Very low38.1Very low199 Ų199164.3 Ų164.387%0.86580%0.8SS**  trans-74.9106.6168.3-67.6174.3-180171.50109.2
418R41.6Very low37.9Very low201 Ų201163.7 Ų163.776%0.75879%0.794SS**  trans-136.5130.6161.2-74.1-164.8172.5105.40.5111.4F416F416-R418 PolarHBondContact O-N 3.2Å
419N34.4Very low38Very low157 Ų157160.1 Ų160.184%0.8479%0.787SS**  trans-60.9134.8178-73-41.4000111.7
420T42.8Very low38Very low117 Ų117158.1 Ų158.172%0.71879%0.786SS**  trans-13074165.447.40000111.2H422T420-H422 PolarHBondContact O-N 2.95Å
421N38.2Very low38.5Very low159 Ų159162.5 Ų162.585%0.8579%0.787SS**  trans-71.863.6154.8-78.5-52.3000109.3R423N421-R423 PolarHBondContact O-N 3.31Å
422H40.9Very low39.8Very low159 Ų159163.8 Ų163.874%0.73678%0.783SS**  trans-94.588.9175.6-96.2-63.7000111.7T420 Y424T420-H422 PolarHBondContact O-N 2.95Å; H422-Y424 PolarHBondContact O-N 3.35Å
423R33.9Very low41.2Very low200 Ų200164.1 Ų164.176%0.75578%0.78SS**  trans-39118.4156-176.7177.8-177.5135.2-1.2110.8N421 E425N421-R423 PolarHBondContact O-N 3.31Å; R423-E425 VanDerWaalsContact C-N 3.33Å; R423-E425 WeakPolarHBondContact CD-OE1 3.07Å; R423-E425 HydrophobicContact CG-CG 4.25Å; R423-E425 IonicContact CZ-OE1 3.52Å; R423-E425 IonicContact NE-OE1 3.39Å; R423-E425 PolarHBondContact NE-OE1 2.96Å; R423-E425 IonicContact NH2-OE1 3.49Å; R423-E425 PolarHBondContact NH2-OE1 3.45Å; R423-E425 PolarHBondContact O-N 2.8Å
424Y35.5Very low43.1Very low218 Ų218159.4 Ų159.486%0.85576%0.758SS**  trans-66.790.9168.8-101.8-102.7000109.1H422H422-Y424 PolarHBondContact O-N 3.35Å
425E39.5Very low45.2Very low127 Ų127153.1 Ų153.159%0.59374%0.735SS**  trans-81.9123164.9-76.2-60.1156.200109.4R423 R427R423-E425 VanDerWaalsContact C-N 3.33Å; R423-E425 WeakPolarHBondContact CD-OE1 3.07Å; R423-E425 HydrophobicContact CG-CG 4.25Å; R423-E425 IonicContact CZ-OE1 3.52Å; R423-E425 IonicContact NE-OE1 3.39Å; R423-E425 PolarHBondContact NE-OE1 2.96Å; R423-E425 IonicContact NH2-OE1 3.49Å; R423-E425 PolarHBondContact NH2-OE1 3.45Å; R423-E425 PolarHBondContact O-N 2.8Å; E425-R427 PolarHBondContact O-N 2.71Å
426F33.4Very low47.4Very low164 Ų164150.6 Ų150.672%0.71973%0.727SS**  trans-7497.3-170.5-155.3-70000109.4H428F426-H428 AromaticContact CD1-CD2 3.31Å; F426-H428 WeakPolarHBondContact CD1-CD2 3.26Å; F426-H428 AromaticContact CD1-CG 3.79Å; F426-H428 AromaticContact CD1-NE2 3.51Å; F426-H428 AromaticContact CE1-CD2 3.54Å; F426-H428 AromaticContact CE1-CE1 3.45Å; F426-H428 VanDerWaalsContact CE1-CE1 3.45Å; F426-H428 WeakPolarHBondContact CE1-CE1 3.15Å; F426-H428 AromaticContact CE1-CG 3.9Å; F426-H428 AromaticContact CE1-ND1 3.84Å; F426-H428 AromaticContact CE1-NE2 3.23Å; F426-H428 WeakPolarHBondContact CE1-NE2 3.12Å; F426-H428 PolarHBondContact O-N 2.8Å
427R38.4Very low50Low239 Ų239149.7 Ų149.790%0.90272%0.724SS**  trans-70.976.5170.6-73.7-164.8-177.4-149.82.8110.7E425 S429E425-R427 PolarHBondContact O-N 2.71Å; R427-S429 PolarHBondContact O-N 3.46Å
428H37.7Very low52.6Low150 Ų150145.3 Ų145.369%0.69471%0.707SS**  trans-61.886.8144.7-78.2-67.4000107F426 S430F426-H428 AromaticContact CD1-CD2 3.31Å; F426-H428 WeakPolarHBondContact CD1-CD2 3.26Å; F426-H428 AromaticContact CD1-CG 3.79Å; F426-H428 AromaticContact CD1-NE2 3.51Å; F426-H428 AromaticContact CE1-CD2 3.54Å; F426-H428 AromaticContact CE1-CE1 3.45Å; F426-H428 VanDerWaalsContact CE1-CE1 3.45Å; F426-H428 WeakPolarHBondContact CE1-CE1 3.15Å; F426-H428 AromaticContact CE1-CG 3.9Å; F426-H428 AromaticContact CE1-ND1 3.84Å; F426-H428 AromaticContact CE1-NE2 3.23Å; F426-H428 WeakPolarHBondContact CE1-NE2 3.12Å; F426-H428 PolarHBondContact O-N 2.8Å; H428-S430 VanDerWaalsContact C-N 3.32Å; H428-S430 PolarHBondContact O-N 3.02Å
429S37.8Very low54.7Low94 Ų94140.2 Ų140.266%0.65769%0.693SS**  trans-67.2100.4164.4-174.20000106.7R427 R431R427-S429 PolarHBondContact O-N 3.46Å; S429-R431 PolarHBondContact O-N 3.45Å
430S40.5Very low57.4Low114 Ų114137.5 Ų137.580%0.79768%0.678SS**  trans-6087.5166.8-580000107.6H428 S432H428-S430 VanDerWaalsContact C-N 3.32Å; H428-S430 PolarHBondContact O-N 3.02Å; S430-S432 VanDerWaalsContact C-N 3.33Å; S430-S432 PolarHBondContact O-N 2.75Å
431R51.1Low59.7Low231 Ų231135.6 Ų135.687%0.87267%0.669SS**  trans-63.999173.2-74.3-171.5176.9-159.2-0.4107.2S429 T433S429-R431 PolarHBondContact O-N 3.45Å; R431-T433 PolarHBondContact O-N 3.35Å
432S62Low62Low107 Ų107132.9 Ų132.975%0.74865%0.653SS**PPolyproline II helixtrans-49131161.8-173.90000107.6S430S430-S432 VanDerWaalsContact C-N 3.33Å; S430-S432 PolarHBondContact O-N 2.75Å
433T70.8Confident64.3Low121 Ų121131 Ų13174%0.74264%0.643SS**PPolyproline II helixtrans-57.7127.4169.945.90000108R431R431-T433 PolarHBondContact O-N 3.35Å
434P76.3Confident66.9Low61 Ų61127.9 Ų127.940%0.39664%0.635SS.*PPolyproline II helixtrans-61.6145.4179.225.2-33.4000110.1E438 M439P434-E438 VanDerWaalsContact CA-OE2 3.24Å; P434-E438 WeakPolarHBondContact CA-OE2 3.31Å; P434-E438 HydrophobicContact CB-CB 4.02Å; P434-M439 HydrophobicContact CB-CG 4.22Å; P434-M439 HydrophobicContact CG-CG 3.83Å; P434-M439 HydrophobicContact CG-SD 4.31Å
435S86.6Confident69.3Low55 Ų55120.3 Ų120.339%0.38562%0.617SS.*PPolyproline II helixtrans-56.6152.1174.2172.40000110.7Q437 E438 M439S435-Q437 PolarHBondContact O-N 3.11Å; S435-Q437 PolarHBondContact OG-N 2.8Å; S435-E438 PolarHBondContact N-OE2 3.23Å; S435-E438 WeakPolarHBondContact O-CA 3.24Å; S435-E438 WeakPolarHBondContact O-CB 3.46Å; S435-E438 PolarHBondContact O-N 2.87Å; S435-M439 PolarHBondContact O-N 3.19Å
436L85.7Confident71.4Confident120 Ų120118.8 Ų118.863%0.62861%0.61SS**Hα-helixtrans-54-37.8173.6-150.1176.3000110.9M439 I440L436-M439 PolarHBondContact O-N 2.86Å; L436-I440 HydrophobicContact CD2-CD1 3.44Å; L436-I440 VanDerWaalsContact CD2-CD1 3.44Å; L436-I440 HydrophobicContact CD2-CG1 3.86Å; L436-I440 WeakPolarHBondContact O-CG1 3.31Å; L436-I440 PolarHBondContact O-N 3.26Å
437Q89.1Confident73.7Confident150 Ų150116.3 Ų116.370%0.70160%0.604SS**Hα-helixtrans-66.8-34.3174.5-76.7175.7-59.900113.7S435 S441S435-Q437 PolarHBondContact O-N 3.11Å; S435-Q437 PolarHBondContact OG-N 2.8Å; Q437-S441 WeakPolarHBondContact O-CB 3.46Å; Q437-S441 PolarHBondContact O-N 3.13Å; Q437-S441 PolarHBondContact O-OG 3.34Å
438E87.8Confident75.8Confident107 Ų107108.8 Ų108.850%0.558%0.582SS.*Hα-helixtrans-69.7-42.9174.3-67.8174.8135.800110.4P434 S435 I440 S441 I442P434-E438 VanDerWaalsContact CA-OE2 3.24Å; P434-E438 WeakPolarHBondContact CA-OE2 3.31Å; P434-E438 HydrophobicContact CB-CB 4.02Å; S435-E438 PolarHBondContact N-OE2 3.23Å; S435-E438 WeakPolarHBondContact O-CA 3.24Å; S435-E438 WeakPolarHBondContact O-CB 3.46Å; S435-E438 PolarHBondContact O-N 2.87Å; E438-I440 PolarHBondContact O-N 3.01Å; E438-S441 PolarHBondContact O-N 3.09Å; E438-S441 VanDerWaalsContact O-N 3.16Å; E438-I442 VanDerWaalsContact O-CG1 3.28Å; E438-I442 WeakPolarHBondContact O-CG1 3.26Å; E438-I442 PolarHBondContact O-N 3.36Å
439M87.2Confident77.7Confident95 Ų95104.1 Ų104.147%0.46857%0.569SS.*Hα-helixtrans-61.4-41.7175.1-66.9-168.5-71.400112.5P434 S435 L436 I442 K443P434-M439 HydrophobicContact CB-CG 4.22Å; P434-M439 HydrophobicContact CG-CG 3.83Å; P434-M439 HydrophobicContact CG-SD 4.31Å; S435-M439 PolarHBondContact O-N 3.19Å; L436-M439 PolarHBondContact O-N 2.86Å; M439-I442 PolarHBondContact O-N 3.47Å; M439-K443 WeakPolarHBondContact O-CB 3.41Å; M439-K443 PolarHBondContact O-N 3.05Å
440I90.9Very high79.1Confident100 Ų100102.7 Ų102.751%0.51356%0.559SS.*Hα-helixtrans-61.8-44172.8-71.9168.6000110.7L436 E438 K443 K444L436-I440 HydrophobicContact CD2-CD1 3.44Å; L436-I440 VanDerWaalsContact CD2-CD1 3.44Å; L436-I440 HydrophobicContact CD2-CG1 3.86Å; L436-I440 WeakPolarHBondContact O-CG1 3.31Å; L436-I440 PolarHBondContact O-N 3.26Å; E438-I440 PolarHBondContact O-N 3.01Å; I440-K443 PolarHBondContact O-N 3.39Å; I440-K444 WeakPolarHBondContact O-CB 3.46Å; I440-K444 PolarHBondContact O-N 3.01Å
441S89.5Confident80.2Confident76 Ų76104.5 Ų104.553%0.53155%0.553SS.*Hα-helixtrans-64.3-42.4-179.5-59.90000111.9Q437 E438 K444 A445Q437-S441 WeakPolarHBondContact O-CB 3.46Å; Q437-S441 PolarHBondContact O-N 3.13Å; Q437-S441 PolarHBondContact O-OG 3.34Å; E438-S441 PolarHBondContact O-N 3.09Å; E438-S441 VanDerWaalsContact O-N 3.16Å; S441-K444 PolarHBondContact O-N 2.93Å; S441-A445 PolarHBondContact O-N 3.02Å
442I87.2Confident80.7Confident102 Ų102102 Ų10252%0.52355%0.548SS..Hα-helixtrans-62.6-48.3174.8-67.7162.7000110.4E438 M439 K444 A445 E446E438-I442 VanDerWaalsContact O-CG1 3.28Å; E438-I442 WeakPolarHBondContact O-CG1 3.26Å; E438-I442 PolarHBondContact O-N 3.36Å; M439-I442 PolarHBondContact O-N 3.47Å; I442-K444 VanDerWaalsContact C-N 3.3Å; I442-K444 PolarHBondContact O-N 3.5Å; I442-A445 PolarHBondContact O-N 3.42Å; I442-E446 WeakPolarHBondContact O-CB 3.39Å; I442-E446 PolarHBondContact O-N 2.89Å
443K88.4Confident80.5Confident119 Ų119103.4 Ų103.452%0.51755%0.547SS..Hα-helixtrans-65.5-31.2179-81.6-74.2164.7-157.60113.3M439 I440 E446 L447M439-K443 WeakPolarHBondContact O-CB 3.41Å; M439-K443 PolarHBondContact O-N 3.05Å; I440-K443 PolarHBondContact O-N 3.39Å; K443-E446 WeakPolarHBondContact CD-OE2 3.37Å; K443-E446 VanDerWaalsContact CE-OE2 3.24Å; K443-E446 WeakPolarHBondContact CE-OE2 3.33Å; K443-E446 IonicContact NZ-OE1 2.72Å; K443-E446 PolarHBondContact NZ-OE1 2.79Å; K443-E446 IonicContact NZ-OE2 3.55Å; K443-E446 PolarHBondContact NZ-OE2 3.19Å; K443-L447 PolarHBondContact O-N 3.11Å; K443-L447 VanDerWaalsContact O-N 3.14Å
444K89.6Confident79.6Confident136 Ų136104.2 Ų104.259%0.59155%0.547SS*.Hα-helixtrans-68-45.7172.6-171.4169.2-178.8175.60111.5I440 S441 I442 E446 L447 D448I440-K444 WeakPolarHBondContact O-CB 3.46Å; I440-K444 PolarHBondContact O-N 3.01Å; S441-K444 PolarHBondContact O-N 2.93Å; I442-K444 VanDerWaalsContact C-N 3.3Å; I442-K444 PolarHBondContact O-N 3.5Å; K444-E446 VanDerWaalsContact C-N 3.31Å; K444-E446 PolarHBondContact O-N 2.67Å; K444-L447 PolarHBondContact O-N 2.8Å; K444-D448 PolarHBondContact O-N 3.16Å
445A85.6Confident78.3Confident59 Ų59108.7 Ų108.749%0.48857%0.567SS.*Hα-helixtrans-62.2-36.7175.800000112.9S441 I442 D448 A449S441-A445 PolarHBondContact O-N 3.02Å; I442-A445 PolarHBondContact O-N 3.42Å; A445-D448 PolarHBondContact O-N 3.48Å; A445-A449 WeakPolarHBondContact O-CB 3.46Å; A445-A449 PolarHBondContact O-N 2.97Å
446E83.7Confident76.4Confident94 Ų94115.1 Ų115.144%0.43959%0.591SS.*Hα-helixtrans-66-39.7175.7-169-178.4166.800112.5I442 K443 K444 S450I442-E446 WeakPolarHBondContact O-CB 3.39Å; I442-E446 PolarHBondContact O-N 2.89Å; K443-E446 WeakPolarHBondContact CD-OE2 3.37Å; K443-E446 VanDerWaalsContact CE-OE2 3.24Å; K443-E446 WeakPolarHBondContact CE-OE2 3.33Å; K443-E446 IonicContact NZ-OE1 2.72Å; K443-E446 PolarHBondContact NZ-OE1 2.79Å; K443-E446 IonicContact NZ-OE2 3.55Å; K443-E446 PolarHBondContact NZ-OE2 3.19Å; K444-E446 VanDerWaalsContact C-N 3.31Å; K444-E446 PolarHBondContact O-N 2.67Å; E446-S450 WeakPolarHBondContact O-CB 3.34Å; E446-S450 PolarHBondContact O-N 3.26Å; E446-S450 PolarHBondContact O-OG 2.89Å
447L82.1Confident74.3Confident112 Ų112114.5 Ų114.559%0.58660%0.596SS**Hα-helixtrans-67.8-40.9173.1-85.3167.7000112.4K443 K444 A449 S450 K451K443-L447 PolarHBondContact O-N 3.11Å; K443-L447 VanDerWaalsContact O-N 3.14Å; K444-L447 PolarHBondContact O-N 2.8Å; L447-A449 VanDerWaalsContact C-N 3.32Å; L447-S450 PolarHBondContact O-N 2.88Å; L447-K451 WeakPolarHBondContact O-CG 3.27Å; L447-K451 PolarHBondContact O-N 2.82Å; L447-K451 VanDerWaalsContact O-N 3.08Å
448D82.4Confident72.3Confident81 Ų81114.2 Ų114.243%0.43360%0.6SS.*Hα-helixtrans-70.3-29.8178.8-69.6-23.5000111.8K444 A445K444-D448 PolarHBondContact O-N 3.16Å; A445-D448 PolarHBondContact O-N 3.48Å
449A76.4Confident70.6Confident52 Ų52116.4 Ų116.443%0.4361%0.612SS.*Hα-helixtrans-70.9-46.9169.300000112.3A445 L447 K451 K452A445-A449 WeakPolarHBondContact O-CB 3.46Å; A445-A449 PolarHBondContact O-N 2.97Å; L447-A449 VanDerWaalsContact C-N 3.32Å; A449-K451 PolarHBondContact O-N 3.45Å; A449-K452 PolarHBondContact O-N 3.06Å
450S68.1Low68.4Low64 Ų64119.2 Ų119.245%0.44863%0.629SS.*Hα-helixtrans-63.6-25.6179.4-59.30000113.5E446 L447 K452 N454E446-S450 WeakPolarHBondContact O-CB 3.34Å; E446-S450 PolarHBondContact O-N 3.26Å; E446-S450 PolarHBondContact O-OG 2.89Å; L447-S450 PolarHBondContact O-N 2.88Å; S450-K452 VanDerWaalsContact C-N 3.33Å; S450-N454 PolarHBondContact O-ND2 2.95Å
451K63.8Low66.2Low153 Ų153120 Ų12067%0.66564%0.643SS**THydrogen-bonded Turntrans-73.3-18.9173.4-77.9177.2177.8177.60114.3L447 A449L447-K451 WeakPolarHBondContact O-CG 3.27Å; L447-K451 PolarHBondContact O-N 2.82Å; L447-K451 VanDerWaalsContact O-N 3.08Å; A449-K451 PolarHBondContact O-N 3.45Å
452K61.6Low63.9Low178 Ų178121.9 Ų121.977%0.77465%0.653SS**THydrogen-bonded Turntrans-89.7-11.5178.3-73.1-177.1176.9-179.30114A449 S450A449-K452 PolarHBondContact O-N 3.06Å; S450-K452 VanDerWaalsContact C-N 3.33Å
453N58.4Low61.8Low136 Ų136126 Ų12673%0.72767%0.671SS**SBendtrans-101.413.5-177.7-59.7-13.3000113.1
454N52.1Low59.2Low138 Ų138128.2 Ų128.274%0.73869%0.687SS**SBendtrans-122.127.1-176.3-95.4-54.1000112.5S450S450-N454 PolarHBondContact O-ND2 2.95Å
455L48.6Very low56.9Low155 Ų155126.6 Ų126.681%0.81269%0.693SS**SBendtrans-147.547.3-178.7-141.1109.6000112.6
456E47.1Very low54.5Low190 Ų190129.9 Ų129.989%0.88871%0.707SS**  trans-156.983.1167.4-159.473.6-119.700108.9
457S41.5Very low52.3Low107 Ų107131.2 Ų131.275%0.74872%0.722SS**  trans-155.991.7176.762.90000111.1
458D45.5Very low50.3Low144 Ų144130.5 Ų130.577%0.7773%0.726SS**  trans-152.4131166.6-96.1-42000110.4
459M52.4Low48.2Very low154 Ų154135 Ų13576%0.75974%0.744SS**  trans59.2118.9168.8-41.4-50.4163.800116.7
460D42.6Very low46.9Very low154 Ų154138 Ų13882%0.82476%0.762SS**  cis-161.2168.935.9-103.2-39.7000111.7
461S43.3Very low45.7Very low116 Ų116142 Ų14281%0.81178%0.779SS**  trans-137.1162.8-178.6-97.90000113.8
462P41.6Very low45Very low115 Ų115140.3 Ų140.375%0.74778%0.783SS**  trans-98.3170.6-142.837.6-38.7000116
463Q42.3Very low44.4Very low190 Ų190138.7 Ų138.789%0.88879%0.788SS**  trans-127.5147.3167.8-81.5-69.8-6.800112.1
464L34.3Very low43.7Very low164 Ų164139.2 Ų139.286%0.85979%0.791SS**  trans-111.2138.5-173.9-80.8155.7000112
465S41.1Very low43.4Very low103 Ų103139.9 Ų139.972%0.7280%0.8SS**  trans-173.9121.2156.112.30000108.1
466T34.9Very low43Very low127 Ų127137.8 Ų137.878%0.77980%0.799SS**  44.3123.68364.80000112.5
467T38.1Very low43.1Very low123 Ų123139 Ų13976%0.75580%0.801SS**  -170.9161.752.4-36.10000111.4
468S40.9Very low43Very low96 Ų96142.4 Ų142.467%0.67181%0.805SS**  trans44.2113.5152.656.10000120.2
469E37Very low43Very low175 Ų175145.7 Ų145.782%0.81881%0.812SS**  76.3107.272.1-170.8175-151.200115.4
470S49.6Very low42.4Very low115 Ų115142.9 Ų142.980%0.80481%0.814SS**  trans-170.8141.5146.3320000110.4
471N42.8Very low42.6Very low149 Ų149140.4 Ų140.480%0.79781%0.808SS**  trans-104.4-160.8-177.1-62.5-78.1000111.2
472P48.6Very low42.9Very low117 Ų117144.2 Ų144.276%0.7681%0.81SS**  -123.1-177.8-110.536.6-16.1000113.7
473V50.6Low42.9Very low145 Ų145150.7 Ų150.788%0.87982%0.82SS**  trans-135.5136.7167.2178.30000111.3
474D42Very low43.1Very low147 Ų147147.5 Ų147.579%0.78682%0.815SS**  trans-64.4160.1-179-61.7-80000115.2
475T46.8Very low43.6Very low152 Ų152148.7 Ų148.793%0.93381%0.814SS**  -152.4144.2125.810.50000111.3
476S40.6Very low43.6Very low111 Ų111149.5 Ų149.578%0.77682%0.82SS**  trans-91.9150.4-168.150.70000113.5
477K49.5Very low44.4Very low214 Ų214153.5 Ų153.593%0.9382%0.822SS**  trans-153.9123.2139.4-118.5161.1-170.5167.50113.7
478E39.5Very low44.6Very low179 Ų179158 Ų15884%0.83683%0.827SS**  trans-80.2140.5-176.8178.2-172.7168.500112.2
479K45.4Very low45.1Very low214 Ų214164.3 Ų164.393%0.9384%0.836SS**  trans-159.3126.8146.5-115168.9-172179.50111.7
480A38.1Very low45.6Very low95 Ų95160.7 Ų160.779%0.78583%0.827SS**  trans-85.3142.3-170.200000114.1
481S46.9Very low45.5Very low102 Ų102164.4 Ų164.471%0.71383%0.829SS**  trans-159.3110.1149.5-161.60000114.1
482K51.2Low45.9Very low196 Ų196164 Ų16485%0.85283%0.825SS**  trans52.5108.3141.6-60.6175.6-177.1176.70119.8
483R40.5Very low46.1Very low251 Ų251164.8 Ų164.895%0.94782%0.823SS**PPolyproline II helixtrans-70.7141.4169.4-57.2178.3178.9-162.2-1.1113.2
484P45.9Very low46Very low122 Ų122164.8 Ų164.879%0.79282%0.817SS**PPolyproline II helixtrans-91.2167.5151.634-28.2000111.9
485K45.6Very low46.4Very low189 Ų189167 Ų16782%0.82282%0.821SS**PPolyproline II helixtrans-79.6132.4-165.9-62.2167-178.5175.40112.7
486S41.2Very low46.5Very low121 Ų121168.8 Ų168.885%0.84682%0.815SS**PPolyproline II helixtrans-76120172.553.90000111.5
487Y51Low46.7Very low211 Ų211170.3 Ų170.383%0.82781%0.814SS**PPolyproline II helixtrans-95123.4163.6-79.9-85000109.9R489Y487-R489 PolarHBondContact O-N 2.79Å
488Y43Very low46.4Very low217 Ų217164.9 Ų164.985%0.85180%0.803SS**PPolyproline II helixtrans-69.5116.5176-165.9-91.2000109.3
489R50.6Low46.9Very low229 Ų229164.9 Ų164.986%0.86480%0.803SS**  trans-104.5125.4162-84-168.3179-1085.4108.3Y487 K491Y487-R489 PolarHBondContact O-N 2.79Å; R489-K491 PolarHBondContact O-N 2.85Å
490P48.2Very low47.1Very low98 Ų98160.5 Ų160.564%0.63679%0.794SS**  trans-64.7134.6173.128.1-33000109.2I492P490-I492 PolarHBondContact O-N 2.89Å
491K48.5Very low47.6Very low193 Ų193163.4 Ų163.484%0.83980%0.795SS**  trans-67.5121.5166.5-67.2179.5179.2179.90107.3R489R489-K491 PolarHBondContact O-N 2.85Å
492I51.1Low47.5Very low141 Ų141167.2 Ų167.272%0.72381%0.807SS**  trans-86.1107.9167-60.9170.3000105.5P490 L494P490-I492 PolarHBondContact O-N 2.89Å; I492-L494 PolarHBondContact O-N 3.12Å; I492-L494 VanDerWaalsContact O-N 3.08Å
493D51.3Low47.1Very low134 Ų134161.5 Ų161.572%0.71780%0.803SS**  trans-66.6108.1173.9-80.7-30000109.3F495D493-F495 PolarHBondContact O-N 3.09Å
494L49.8Very low47.3Very low145 Ų145158.4 Ų158.476%0.75980%0.799SS**THydrogen-bonded Turntrans-70.713.5-179.4-78.5159.6000114I492I492-L494 PolarHBondContact O-N 3.12Å; I492-L494 VanDerWaalsContact O-N 3.08Å
495F48.8Very low47.2Very low194 Ų194167.6 Ų167.685%0.85182%0.82SS**THydrogen-bonded Turntrans-97.18.7-176.8-100.1-87.6000114.8D493D493-F495 PolarHBondContact O-N 3.09Å
496K50.8Low47.3Very low189 Ų189166.5 Ų166.582%0.82282%0.82SS**SBendtrans-120.222-179.2-91.1-174.4173.3-178.10115.6
497L43.6Very low47.6Very low142 Ų142168.9 Ų168.974%0.74382%0.819SS**SBendtrans-118.918.5179.4-71.8174.3000114.2
498S44.4Very low47.5Very low101 Ų101166.6 Ų166.671%0.70682%0.818SS**SBendtrans-101.1-8.2176.250.10000114.7
499E48.8Very low47.7Very low178 Ų178163.6 Ų163.683%0.83282%0.816SS**SBendtrans-114.269.3-175.3-67.2-178.814900111.3
500T50.5Low47.5Very low122 Ų122159.5 Ų159.575%0.74881%0.813SS**SBendtrans-159.69.9170.3-1.80000114.4
501I47.7Very low47.5Very low156 Ų156163.6 Ų163.680%0.883%0.825SS**SBendtrans-129.227-175.5-40.8-177.2000111.3
502L46Very low47.4Very low183 Ų183161.5 Ų161.596%0.95882%0.824SS**  trans-142.687.1170.2-75.4175.6000108.1
503G41.2Very low47.1Very low75 Ų75163.1 Ų163.177%0.77383%0.832SS**  trans-171.323.5-170.900000116.3
504E44.5Very low46.8Very low186 Ų186165.5 Ų165.587%0.86984%0.841SS**  trans-145.191.2165.9-75.6-163.8157.600109.5
505Y45.5Very low46.5Very low315 Ų315167.4 Ų167.4100%1.23585%0.849SS**  trans-163.20157.3-105.7-66.1000109.9

Retrieved 505 of 505 residues in 153.8 ms (Link to these results)