A0A087YGC9_POEFO Loading...

Forkhead box P4

AlphaFold DB , UniProt , Accession A0A087YGC9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 668 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31Very low30.6Very low226 Ų226157.2 Ų157.2100%1.11385%0.845SS**  0108.20-64165-174.300105
2M32.7Very low30.4Very low182 Ų182154.8 Ų154.890%0.89784%0.84SS**  76.913695.6-72.5170.4172.400112.4
3V30.6Very low30.5Very low122 Ų122152.7 Ų152.774%0.73984%0.836SS**  cis-161.8-175.1-24.6104.80000108.2
4E34.8Very low31.2Very low161 Ų161151.2 Ų151.275%0.75284%0.838SS**  trans-44.9163.8173.5-64142.4110.500115.1
5S29.8Very low31Very low121 Ų121148.2 Ų148.285%0.84683%0.831SS**  -163.4168.452.8-66.90000115.4
6A32.6Very low30.7Very low92 Ų92147.5 Ų147.576%0.7683%0.825SS**  trans-100.8168.4168.500000112
7S29.6Very low30.7Very low126 Ų126148.2 Ų148.288%0.88182%0.82SS**  trans-169.3154.5146.1-83.40000112.1
8E30.6Very low30.4Very low178 Ų178148.6 Ų148.683%0.83282%0.821SS**  trans-91.8173.8-179.8-61.4161.798.700112
9T29.8Very low30.3Very low141 Ų141144.5 Ų144.587%0.86582%0.816SS**  trans-146.6132.8155.3-70.80000110.6
10I27.5Very low30.2Very low132 Ų132144.2 Ų144.268%0.67782%0.817SS**  trans-96.2145.9-175.2-61.6160000109.7T12I10-T12 HydrophobicContact CG2-CG2 4.1Å
11R28Very low30.1Very low248 Ų248142.4 Ų142.494%0.93681%0.814SS**  trans-135131.5149.6-75.5-163.8175.7-172.2-0.6111.1
12T28Very low29.9Very low128 Ų128136 Ų13679%0.78579%0.792SS**  trans-106.7177.4179.536.60000111.5I10I10-T12 HydrophobicContact CG2-CG2 4.1Å
13T31.9Very low29.6Very low128 Ų128135.2 Ų135.279%0.78579%0.79SS**  trans-70.3173.7-173.656.90000113.6
14P39.6Very low29.5Very low132 Ų132134.5 Ų134.586%0.85779%0.79SS**  -134.7-179.693.738.6-28.1000114.5
15S29.1Very low29.1Very low106 Ų106132.4 Ų132.474%0.74179%0.793SS**  trans-133.6148179.7174.80000109.7
16N25.8Very low29.1Very low137 Ų137135 Ų13573%0.73379%0.792SS**  trans176.6160.5162.3-92.8-19.7000109.9
17Q30.4Very low28.9Very low159 Ų159136.5 Ų136.574%0.74380%0.797SS**  cis-165.8-178.8-41.6-123.7-169.2103.800108.4
18N25.9Very low29Very low156 Ų156138.1 Ų138.183%0.83480%0.796SS**  trans74.1141.7177.2-50.8-16.9000117
19G27.8Very low28.9Very low71 Ų71133.4 Ų133.473%0.73280%0.795SS**  cis136.998.2-22.800000117.3
20V28.3Very low28.9Very low138 Ų138130.6 Ų130.684%0.83679%0.794SS**  trans-160.1138.8150.7-87.70000106.3
21S27.5Very low28.9Very low106 Ų106128.5 Ų128.574%0.74181%0.805SS**  cis79.312932.6-55.20000113.4
22S27.1Very low28.9Very low93 Ų93120.5 Ų120.565%0.6580%0.8SS**  cis-168.4143.8-0.4-101.50000112.9
23L27.6Very low29.1Very low165 Ų165124.7 Ų124.786%0.86480%0.801SS**  trans58.5175.6149-51.3170000116
24S26.7Very low29Very low106 Ų106126.5 Ų126.574%0.74180%0.801SS**  cis-157.6171.61.3-5.70000106.8
25S26.8Very low28.5Very low117 Ų117124.1 Ų124.182%0.81880%0.8SS**  cis-162.4-176.4-1.6-106.30000109.5
26Q30.3Very low28.5Very low177 Ų177123 Ų12383%0.82781%0.806SS**  trans-81.1165.9175.2-63.7157.9-100.700114.3
27S29.2Very low28.8Very low123 Ų123122.1 Ų122.186%0.8681%0.81SS**  trans-142.6146.614958.90000111.1
28D30Very low29.2Very low159 Ų159122 Ų12285%0.8581%0.814SS**  trans-98.1156.6-173.1-93.7-63.5000114.3
29G29Very low29.5Very low79 Ų79118.2 Ų118.281%0.81481%0.813SS**  trans104.3150.4134.300000119.8
30G29.2Very low29.8Very low83 Ų83122 Ų12286%0.85682%0.816SS**  trans107.699.4158.800000116.1
31G28.2Very low30.1Very low88 Ų88121.2 Ų121.291%0.90781%0.812SS**  trans-86.1166.817500000114.7
32G28Very low30.5Very low80 Ų80123.5 Ų123.583%0.82582%0.816SS**  trans-160.1164.2174.500000110.7
33R31.9Very low30.9Very low216 Ų216122.4 Ų122.482%0.81582%0.82SS**  trans-132.5160-174.4-71170.848.3169.8-5.2112.6
34E29.9Very low31.4Very low166 Ų166124.1 Ų124.178%0.77682%0.823SS**  trans78.9157.3158.4-37.8-155.2155.300117.7
35G28.8Very low32.3Very low82 Ų82124.4 Ų124.485%0.84582%0.815SS**  trans107.685-179.100000114.2
36G30.9Very low33.1Very low83 Ų83121.9 Ų121.986%0.85680%0.798SS**  trans-101.8151170.100000112.3
37S31.5Very low34Very low118 Ų118118.5 Ų118.583%0.82579%0.791SS**  trans-147.1145163.7-175.10000110.1
38N39.2Very low35Very low155 Ų155115 Ų11583%0.82978%0.775SS**  trans-76.5157.7174-63-17.8000110.6
39G30.9Very low35.7Very low78 Ų78112.9 Ų112.980%0.80476%0.76SS**  trans-172.277.6178.800000111.9
40D35.3Very low36.7Very low149 Ų149111.2 Ų111.280%0.79774%0.738SS**  trans-70.9130.9170.8-61.7-81.6000110.9
41T34.2Very low38Very low122 Ų122112 Ų11275%0.74873%0.726SS**  -178.6138.5128.219.40000113.4
42N35.5Very low39.2Very low154 Ų154111.6 Ų111.682%0.82471%0.709SS**  trans46.382.8143.1-53.9-9.5000119.3
43G35Very low40.8Very low71 Ų71112.7 Ų112.773%0.73270%0.696SS**PPolyproline II helixtrans-86.5133.1148.900000110.7I45G43-I45 PolarHBondContact O-N 2.87Å
44E39.5Very low42.3Very low200 Ų200109.1 Ų109.194%0.93569%0.688SS**PPolyproline II helixtrans-73.3122.4173.6-71.5-162.796.500111S46E44-S46 PolarHBondContact O-N 2.93Å
45I45Very low43.8Very low112 Ų112104.1 Ų104.157%0.57468%0.675SS**PPolyproline II helixtrans-83.2117.1-177.2-56.3170.6000108.8G43 E49 A50 L53G43-I45 PolarHBondContact O-N 2.87Å; I45-E49 HydrophobicContact CG2-CB 3.85Å; I45-A50 HydrophobicContact CG2-CB 4.08Å; I45-L53 HydrophobicContact CG2-CD1 4.39Å
46S44.1Very low45.7Very low65 Ų65106 Ų10646%0.45566%0.662SS.*PPolyproline II helixtrans-61145.1179.5-177.50000111.5E44 G48 E49 A50E44-S46 PolarHBondContact O-N 2.93Å; S46-G48 PolarHBondContact O-N 3.33Å; S46-E49 CarbonylContact O-C 3.05Å; S46-E49 WeakPolarHBondContact O-CA 3.49Å; S46-E49 WeakPolarHBondContact O-CB 3.33Å; S46-E49 PolarHBondContact O-N 2.86Å; S46-A50 PolarHBondContact O-N 3.22Å
47P48.9Very low47.4Very low105 Ų105108.3 Ų108.368%0.68265%0.651SS**Hα-helixtrans-55.4-29.3-178.4-28.635.8000114.7V51P47-V51 WeakPolarHBondContact O-CG2 3.4Å; P47-V51 PolarHBondContact O-N 3.16Å
48G49.3Very low48.6Very low51 Ų51105.6 Ų105.653%0.52664%0.636SS.*Hα-helixtrans-70.5-38172.900000113.3S46 S52S46-G48 PolarHBondContact O-N 3.33Å; G48-S52 WeakPolarHBondContact O-CB 3.41Å; G48-S52 PolarHBondContact O-N 3.46Å
49E45.4Very low50Low114 Ų114102.9 Ų102.953%0.53362%0.62SS.*Hα-helixtrans-72.6-38.1175.4-67.1-175.6124.800111.6I45 S46 V51 S52 L53I45-E49 HydrophobicContact CG2-CB 3.85Å; S46-E49 CarbonylContact O-C 3.05Å; S46-E49 WeakPolarHBondContact O-CA 3.49Å; S46-E49 WeakPolarHBondContact O-CB 3.33Å; S46-E49 PolarHBondContact O-N 2.86Å; E49-V51 VanDerWaalsContact C-N 3.31Å; E49-V51 PolarHBondContact O-N 3.3Å; E49-S52 CarbonylContact O-C 3.49Å; E49-S52 PolarHBondContact O-N 2.88Å; E49-S52 VanDerWaalsContact O-N 3.1Å; E49-L53 WeakPolarHBondContact O-CB 3.39Å; E49-L53 PolarHBondContact O-N 3.25Å
50A49.7Very low51.7Low44 Ų44103.9 Ų103.936%0.36460%0.604SS.*Hα-helixtrans-58.8-42.2173.200000111.7I45 S46 Q54I45-A50 HydrophobicContact CG2-CB 4.08Å; S46-A50 PolarHBondContact O-N 3.22Å; A50-Q54 WeakPolarHBondContact O-CB 3.37Å; A50-Q54 PolarHBondContact O-N 3.28Å
51V56.1Low53Low100 Ų10099.3 Ų99.361%0.60659%0.587SS**Hα-helixtrans-67.5-37.8173.6170.60000111.6P47 E49 Q54 A55P47-V51 WeakPolarHBondContact O-CG2 3.4Å; P47-V51 PolarHBondContact O-N 3.16Å; E49-V51 VanDerWaalsContact C-N 3.31Å; E49-V51 PolarHBondContact O-N 3.3Å; V51-Q54 PolarHBondContact O-N 2.78Å; V51-A55 VanDerWaalsContact O-CB 3.3Å; V51-A55 WeakPolarHBondContact O-CB 3.23Å; V51-A55 PolarHBondContact O-N 3Å
52S53.8Low54.1Low78 Ų7895.8 Ų95.855%0.54557%0.57SS.*Hα-helixtrans-68.1-43.1176.6-1640000112.7G48 E49 A55 E56G48-S52 WeakPolarHBondContact O-CB 3.41Å; G48-S52 PolarHBondContact O-N 3.46Å; E49-S52 CarbonylContact O-C 3.49Å; E49-S52 PolarHBondContact O-N 2.88Å; E49-S52 VanDerWaalsContact O-N 3.1Å; S52-A55 PolarHBondContact O-N 3.33Å; S52-E56 WeakPolarHBondContact O-CB 3.35Å; S52-E56 PolarHBondContact O-N 2.89Å
53L61.6Low55.5Low103 Ų10396.3 Ų96.354%0.53956%0.561SS.*Hα-helixtrans-60.7-45.6172.1-102.6126.1000111I45 E49 A55 E56 Q57I45-L53 HydrophobicContact CG2-CD1 4.39Å; E49-L53 WeakPolarHBondContact O-CB 3.39Å; E49-L53 PolarHBondContact O-N 3.25Å; L53-A55 VanDerWaalsContact C-N 3.33Å; L53-A55 PolarHBondContact O-N 2.61Å; L53-E56 PolarHBondContact O-N 2.79Å; L53-Q57 WeakPolarHBondContact O-CB 3.08Å; L53-Q57 PolarHBondContact O-N 3.29Å
54Q63.3Low56.9Low141 Ų14199.1 Ų99.166%0.65956%0.555SS**Hα-helixtrans-69.3-32.2179.6-165.4162.426.600112.3A50 V51 A58A50-Q54 WeakPolarHBondContact O-CB 3.37Å; A50-Q54 PolarHBondContact O-N 3.28Å; V51-Q54 PolarHBondContact O-N 2.78Å; Q54-A58 VanDerWaalsContact O-CB 3.23Å; Q54-A58 WeakPolarHBondContact O-CB 3.3Å; Q54-A58 PolarHBondContact O-N 3.13Å
55A62.8Low57.9Low61 Ų6196.1 Ų96.150%0.50454%0.539SS..Hα-helixtrans-67.9-42171.100000112.3V51 S52 L53 A58 L59V51-A55 VanDerWaalsContact O-CB 3.3Å; V51-A55 WeakPolarHBondContact O-CB 3.23Å; V51-A55 PolarHBondContact O-N 3Å; S52-A55 PolarHBondContact O-N 3.33Å; L53-A55 VanDerWaalsContact C-N 3.33Å; L53-A55 PolarHBondContact O-N 2.61Å; A55-A58 PolarHBondContact O-N 2.64Å; A55-L59 WeakPolarHBondContact O-CB 3.47Å; A55-L59 PolarHBondContact O-N 3.44Å
56E67.6Low58.8Low121 Ų12196.3 Ų96.357%0.56554%0.541SS*.Hα-helixtrans-72.3-37.4178.1-172.8154.1112.900112.3S52 L53 L59 Q60S52-E56 WeakPolarHBondContact O-CB 3.35Å; S52-E56 PolarHBondContact O-N 2.89Å; L53-E56 PolarHBondContact O-N 2.79Å; E56-L59 CarbonylContact O-C 3.5Å; E56-L59 WeakPolarHBondContact O-CB 3.45Å; E56-L59 PolarHBondContact O-N 3.29Å; E56-L59 VanDerWaalsContact O-N 3.16Å; E56-Q60 WeakPolarHBondContact O-CG 3.47Å; E56-Q60 PolarHBondContact O-N 3.31Å
57Q67.2Low59.7Low133 Ų13399 Ų9962%0.62155%0.549SS*.Hα-helixtrans-65.7-38.5173.2-166.6176.440.200111.2L53 L59 Q60 A61L53-Q57 WeakPolarHBondContact O-CB 3.08Å; L53-Q57 PolarHBondContact O-N 3.29Å; Q57-L59 VanDerWaalsContact C-N 3.35Å; Q57-Q60 PolarHBondContact O-N 3.23Å; Q57-A61 WeakPolarHBondContact O-CB 3.45Å; Q57-A61 PolarHBondContact O-N 2.86Å
58A56.6Low60.2Low61 Ų61100.4 Ų100.450%0.50455%0.547SS..Hα-helixtrans-64.5-37.417000000112.3Q54 A55 A61 A62Q54-A58 VanDerWaalsContact O-CB 3.23Å; Q54-A58 WeakPolarHBondContact O-CB 3.3Å; Q54-A58 PolarHBondContact O-N 3.13Å; A55-A58 PolarHBondContact O-N 2.64Å; A58-A61 PolarHBondContact O-N 2.71Å; A58-A62 WeakPolarHBondContact O-CB 3.38Å; A58-A62 PolarHBondContact O-N 3.18Å
59L67.6Low60.3Low97 Ų97103.9 Ų103.951%0.50855%0.549SS..Hα-helixtrans-70.5-35.2175.9-171.163.6000112.4A55 E56 Q57 R63A55-L59 WeakPolarHBondContact O-CB 3.47Å; A55-L59 PolarHBondContact O-N 3.44Å; E56-L59 CarbonylContact O-C 3.5Å; E56-L59 WeakPolarHBondContact O-CB 3.45Å; E56-L59 PolarHBondContact O-N 3.29Å; E56-L59 VanDerWaalsContact O-N 3.16Å; Q57-L59 VanDerWaalsContact C-N 3.35Å; L59-R63 WeakPolarHBondContact O-CG 3.27Å; L59-R63 PolarHBondContact O-N 3.25Å
60Q67.3Low60.4Low100 Ų100102.4 Ų102.447%0.46756%0.556SS.*Hα-helixtrans-67.5-43.9170.7-73.4-1729.800111.4E56 Q57 A62 R63 Q64E56-Q60 WeakPolarHBondContact O-CG 3.47Å; E56-Q60 PolarHBondContact O-N 3.31Å; Q57-Q60 PolarHBondContact O-N 3.23Å; Q60-A62 VanDerWaalsContact C-N 3.33Å; Q60-A62 PolarHBondContact O-N 3.12Å; Q60-R63 WeakPolarHBondContact O-CB 3.3Å; Q60-R63 PolarHBondContact O-N 3.47Å; Q60-R63 VanDerWaalsContact O-N 3.16Å; Q60-Q64 WeakPolarHBondContact O-CG 3.21Å; Q60-Q64 PolarHBondContact O-N 3.26Å
61A63.2Low60.3Low53 Ų53103.5 Ų103.544%0.43856%0.561SS.*Hα-helixtrans-60.5-41.8174.200000111.7Q57 A58 R63 Q64 F65Q57-A61 WeakPolarHBondContact O-CB 3.45Å; Q57-A61 PolarHBondContact O-N 2.86Å; A58-A61 PolarHBondContact O-N 2.71Å; A61-R63 PolarHBondContact O-N 3.07Å; A61-Q64 PolarHBondContact O-N 2.9Å; A61-F65 WeakPolarHBondContact O-CB 3.43Å; A61-F65 PolarHBondContact O-N 2.92Å
62A57.2Low59.7Low48 Ų48101.6 Ų101.640%0.39756%0.562SS.*Hα-helixtrans-63.2-38.7173.900000112.7A58 Q60 L66A58-A62 WeakPolarHBondContact O-CB 3.38Å; A58-A62 PolarHBondContact O-N 3.18Å; Q60-A62 VanDerWaalsContact C-N 3.33Å; Q60-A62 PolarHBondContact O-N 3.12Å; A62-L66 WeakPolarHBondContact O-CG 3.45Å; A62-L66 PolarHBondContact O-N 3.14Å
63R64.1Low59.2Low165 Ų165105.3 Ų105.362%0.62357%0.574SS**Hα-helixtrans-65.2-44.1172.5-79.5175.4169.3169.1-1.6112.2L59 Q60 A61 L66 L67L59-R63 WeakPolarHBondContact O-CG 3.27Å; L59-R63 PolarHBondContact O-N 3.25Å; Q60-R63 WeakPolarHBondContact O-CB 3.3Å; Q60-R63 PolarHBondContact O-N 3.47Å; Q60-R63 VanDerWaalsContact O-N 3.16Å; A61-R63 PolarHBondContact O-N 3.07Å; R63-L66 PolarHBondContact O-N 3.15Å; R63-L67 WeakPolarHBondContact O-CG 3.46Å; R63-L67 PolarHBondContact O-N 2.86Å
64Q64.2Low58Low129 Ų129108.2 Ų108.260%0.60359%0.591SS**Hα-helixtrans-62.6-41.9176-72.3177.23.200111.3Q60 A61 L66 L67 Q68Q60-Q64 WeakPolarHBondContact O-CG 3.21Å; Q60-Q64 PolarHBondContact O-N 3.26Å; A61-Q64 PolarHBondContact O-N 2.9Å; Q64-L66 PolarHBondContact O-N 2.8Å; Q64-L67 PolarHBondContact O-N 2.94Å; Q64-Q68 WeakPolarHBondContact O-CB 3.38Å; Q64-Q68 PolarHBondContact O-N 3.47Å
65F61.2Low56.5Low138 Ų138106.9 Ų106.961%0.60560%0.597SS**Hα-helixtrans-64.8-37176.3-171.1-104.9000113.1A61 Q68 Q69A61-F65 WeakPolarHBondContact O-CB 3.43Å; A61-F65 PolarHBondContact O-N 2.92Å; F65-Q68 PolarHBondContact O-N 3.29Å; F65-Q69 PolarHBondContact O-N 3.5Å; F65-Q69 VanDerWaalsContact O-N 3.1Å
66L63.3Low55.4Low116 Ų116110.3 Ų110.361%0.60761%0.614SS**Hα-helixtrans-67.9-41172.4-80.9165.6000112.5A62 R63 Q64 Q68 Q69 A70A62-L66 WeakPolarHBondContact O-CG 3.45Å; A62-L66 PolarHBondContact O-N 3.14Å; R63-L66 PolarHBondContact O-N 3.15Å; Q64-L66 PolarHBondContact O-N 2.8Å; L66-Q68 VanDerWaalsContact C-N 3.33Å; L66-Q69 PolarHBondContact O-N 2.89Å; L66-A70 PolarHBondContact O-N 3.44Å; L66-A70 VanDerWaalsContact O-N 3.08Å
67L64.3Low53.6Low122 Ų122107.9 Ų107.964%0.63962%0.622SS**Hα-helixtrans-65.3-36.7173.4-71.5166.8000111.6R63 Q64 A70 S71R63-L67 WeakPolarHBondContact O-CG 3.46Å; R63-L67 PolarHBondContact O-N 2.86Å; Q64-L67 PolarHBondContact O-N 2.94Å; L67-A70 WeakPolarHBondContact O-CB 3.37Å; L67-A70 PolarHBondContact O-N 3.4Å; L67-S71 PolarHBondContact O-N 2.98Å
68Q57.9Low51.9Low134 Ų134106.9 Ų106.963%0.62663%0.63SS**Hα-helixtrans-63.8-42.4176.5-159.179.390.200111.3Q64 F65 L66 A70 S71 G72Q64-Q68 WeakPolarHBondContact O-CB 3.38Å; Q64-Q68 PolarHBondContact O-N 3.47Å; F65-Q68 PolarHBondContact O-N 3.29Å; L66-Q68 VanDerWaalsContact C-N 3.33Å; Q68-A70 PolarHBondContact O-N 2.9Å; Q68-S71 WeakPolarHBondContact CA-OG 3.37Å; Q68-S71 PolarHBondContact NE2-OG 3.2Å; Q68-S71 PolarHBondContact O-N 3.28Å; Q68-S71 PolarHBondContact O-OG 3.42Å; Q68-G72 PolarHBondContact O-N 3.44Å
69Q51.3Low50.7Low124 Ų124111.2 Ų111.258%0.57964%0.644SS**Hα-helixtrans-63.7-37.9172.6-77.1-175.577.300112.6F65 L66 S71 G72F65-Q69 PolarHBondContact O-N 3.5Å; F65-Q69 VanDerWaalsContact O-N 3.1Å; L66-Q69 PolarHBondContact O-N 2.89Å; Q69-S71 VanDerWaalsContact C-N 3.28Å; Q69-S71 PolarHBondContact O-N 3.06Å; Q69-G72 PolarHBondContact O-N 2.8Å
70A48.6Very low49.2Very low82 Ų82115.3 Ų115.368%0.67866%0.661SS**Hα-helixtrans-64.6-30.8173.500000112.9L66 L67 Q68 G72L66-A70 PolarHBondContact O-N 3.44Å; L66-A70 VanDerWaalsContact O-N 3.08Å; L67-A70 WeakPolarHBondContact O-CB 3.37Å; L67-A70 PolarHBondContact O-N 3.4Å; Q68-A70 PolarHBondContact O-N 2.9Å; A70-G72 VanDerWaalsContact C-N 3.31Å
71S46.6Very low47.6Very low68 Ų68116 Ų11648%0.47667%0.671SS.*THydrogen-bonded Turntrans-78.2-8.1174.766.90000114.8L67 Q68 Q69 L73L67-S71 PolarHBondContact O-N 2.98Å; Q68-S71 WeakPolarHBondContact CA-OG 3.37Å; Q68-S71 PolarHBondContact NE2-OG 3.2Å; Q68-S71 PolarHBondContact O-N 3.28Å; Q68-S71 PolarHBondContact O-OG 3.42Å; Q69-S71 VanDerWaalsContact C-N 3.28Å; Q69-S71 PolarHBondContact O-N 3.06Å; S71-L73 PolarHBondContact O-N 3.41Å
72G44.3Very low46.3Very low59 Ų59122.7 Ų122.761%0.60869%0.691SS**THydrogen-bonded Turntrans-73.4-3.5-172.500000116.4Q68 Q69 A70Q68-G72 PolarHBondContact O-N 3.44Å; Q69-G72 PolarHBondContact O-N 2.8Å; A70-G72 VanDerWaalsContact C-N 3.31Å
73L42.8Very low45Very low156 Ų156129.9 Ų129.982%0.81772%0.716SS**SBendtrans-124.262.5-178.8-68.2179.1000112.3S71S71-L73 PolarHBondContact O-N 3.41Å
74N37Very low43.3Very low164 Ų164127.1 Ų127.188%0.87772%0.722SS**  trans-152.2134.4157.7-94.1-58.8000110.6
75S31Very low42Very low114 Ų114126.7 Ų126.780%0.79773%0.73SS**  trans-133.5142.4171.9-158.50000108
76P39.4Very low40.4Very low132 Ų132126.9 Ų126.986%0.85774%0.742SS**  trans-82.3146.5-156.231.3-36.1000114.6
77G29.8Very low38.8Very low71 Ų71130.2 Ų130.273%0.73276%0.755SS**  trans-169.564.5-178.400000116.1
78S31.1Very low37.1Very low112 Ų112130.7 Ų130.778%0.78376%0.762SS**  trans60.8110.8153-53.60000121.7
79N32.6Very low36.1Very low151 Ų151129.7 Ų129.781%0.80777%0.768SS**  trans7293.5136.9-60.14.7000122.5
80E36.4Very low35.5Very low184 Ų184130.7 Ų130.786%0.8678%0.782SS**  87.7157.2122.9-128.9-168.1120.700122.6
81V33.6Very low34.8Very low113 Ų113132 Ų13269%0.68579%0.786SS**  trans75.873.3169.6-158.20000119.6
82K35.7Very low34.5Very low195 Ų195138.1 Ų138.185%0.84881%0.81SS**  53.694.5115.1-169.9-176.6-176.6177.80119.1
83Q29.9Very low34.2Very low199 Ų199139.6 Ų139.693%0.9382%0.816SS**  trans-160.6165152.4-125.1165.287.700114.6
84S27.4Very low33.7Very low107 Ų107140.1 Ų140.175%0.74882%0.816SS**  trans-161.1165.6177.563.20000110.7
85P37.2Very low33.7Very low119 Ų119141.2 Ų141.277%0.77382%0.818SS**  cis-126.2144.2-35.334.9-21.2000112.2
86V27.6Very low34.3Very low142 Ų142140.7 Ų140.786%0.86182%0.815SS**  trans-132.3153.9175.1-1770000111.7
87Q29.6Very low34.4Very low186 Ų186140.7 Ų140.787%0.86982%0.815SS**  trans-63.4152.7-166.6-58161.98.300114.9
88V29.9Very low34.7Very low132 Ų132145.4 Ų145.480%0.882%0.818SS**  trans-119.3123.4169.5-179.10000110
89P36.8Very low35.2Very low114 Ų114149.1 Ų149.174%0.7483%0.825SS**  trans-79.9140.7176.3-12.428.9000113.2
90V38.2Very low35.9Very low144 Ų144147 Ų14787%0.87381%0.813SS**  trans-100.199.8174.1178.90000110.2
91S34.5Very low36.9Very low110 Ų110141.7 Ų141.777%0.76979%0.793SS**  trans-146.467.8-177-700000114.3
92M39.5Very low37.8Very low197 Ų197141.3 Ų141.397%0.9779%0.792SS**  trans-142.675.4162.8-86-157.9168.900112.3
93A37.4Very low38.5Very low89 Ų89139.5 Ų139.574%0.73679%0.787SS**  trans-164.384.4166.800000112.2
94M33.8Very low39.6Very low167 Ų167134.8 Ų134.882%0.82377%0.765SS**  trans-169.495.2153-84.2-40.8166.500109.8
95M37.1Very low40.6Very low187 Ų187133.7 Ų133.792%0.92175%0.749SS**  trans-133.3135.3167.5-63.8-83.211900107.1
96S42.2Very low41.3Very low103 Ų103134.5 Ų134.572%0.7274%0.743SS**  trans-79.5149.1-177.642.70000112.2Q98S96-Q98 PolarHBondContact O-N 3.31Å; S96-Q98 VanDerWaalsContact O-N 3.08Å
97P43.1Very low42.5Very low133 Ų133136 Ų13686%0.86474%0.74SS**  trans-74103.3-178.229.7-34.1000111
98Q34.4Very low43.5Very low170 Ų170132.5 Ų132.579%0.79473%0.726SS**  trans-76.6156.8158.6-65-170.25.600109.9S96 I100S96-Q98 PolarHBondContact O-N 3.31Å; S96-Q98 VanDerWaalsContact O-N 3.08Å; Q98-I100 VanDerWaalsContact C-N 3.32Å; Q98-I100 PolarHBondContact O-N 2.8Å
99M42.9Very low44.7Very low190 Ų190128.3 Ų128.394%0.93670%0.699SS**  trans-71.381.5-177.7-71.8-82.8-74.900111.3T101M99-T101 PolarHBondContact O-N 2.71Å
100I47.5Very low46.1Very low106 Ų106125.1 Ų125.154%0.54468%0.68SS.*  trans-61.9118.9173.4-68.9172.2000108.9Q98 Q104 M105Q98-I100 VanDerWaalsContact C-N 3.32Å; Q98-I100 PolarHBondContact O-N 2.8Å; I100-Q104 HydrophobicContact CG2-CB 3.89Å; I100-M105 HydrophobicContact CG2-CB 4.36Å
101T57.6Low47.4Very low73 Ų73123.3 Ų123.345%0.44867%0.671SS.*  trans-71151.1175.152.20000110.6M99 Q103 Q104 M105M99-T101 PolarHBondContact O-N 2.71Å; T101-Q103 PolarHBondContact O-N 2.79Å; T101-Q104 PolarHBondContact O-N 2.8Å; T101-M105 PolarHBondContact O-N 2.85Å
102P51.3Low48.6Very low104 Ų104122.5 Ų122.568%0.67566%0.663SS**Hα-helixtrans-63.5-10.8-176.224.7-34.9000114.4Q106P102-Q106 PolarHBondContact O-NE2 2.73Å
103Q51.6Low49.5Very low157 Ų157118.2 Ų118.273%0.73464%0.641SS**Hα-helixtrans-80.7-38.2171.4-71.5171.3-30.400112.4T101 Q106T101-Q103 PolarHBondContact O-N 2.79Å; Q103-Q106 PolarHBondContact O-N 3.37Å
104Q51.3Low50.9Low101 Ų101117.9 Ų117.947%0.47263%0.626SS.*Hα-helixtrans-68.5-34.5174.1-87.2-174.4-30.700112.3I100 T101 Q106 Q107 I108I100-Q104 HydrophobicContact CG2-CB 3.89Å; T101-Q104 PolarHBondContact O-N 2.8Å; Q104-Q106 PolarHBondContact O-N 3.5Å; Q104-Q107 PolarHBondContact O-N 2.84Å; Q104-I108 HydrophobicContact CB-CD1 4.47Å; Q104-I108 WeakPolarHBondContact O-CG1 3.37Å; Q104-I108 PolarHBondContact O-N 2.86Å
105M48.9Very low52.7Low83 Ų83116.4 Ų116.441%0.40962%0.617SS.*Hα-helixtrans-58.9-31.9178.1-165.5174.3-168.800112.8I100 T101 Q107 I108 L109 L117I100-M105 HydrophobicContact CG2-CB 4.36Å; T101-M105 PolarHBondContact O-N 2.85Å; M105-Q107 VanDerWaalsContact C-N 3.33Å; M105-Q107 PolarHBondContact O-N 3.37Å; M105-I108 PolarHBondContact O-N 2.66Å; M105-L109 HydrophobicContact CE-CD1 4.34Å; M105-L109 HydrophobicContact CE-CD2 4.15Å; M105-L109 HydrophobicContact CG-CD1 4.01Å; M105-L109 PolarHBondContact O-N 3.14Å; M105-L117 HydrophobicContact CE-CD2 3.52Å
106Q53.3Low54.1Low137 Ų137110.3 Ų110.364%0.6460%0.597SS**Hα-helixtrans-76.4-13.1178.2-73.4170.780.200114.3P102 Q103 Q104P102-Q106 PolarHBondContact O-NE2 2.73Å; Q103-Q106 PolarHBondContact O-N 3.37Å; Q104-Q106 PolarHBondContact O-N 3.5Å
107Q51Low55.6Low173 Ų173108.5 Ų108.581%0.80858%0.579SS**Hα-helixtrans-97.3-16.2173.1-74.3-173-26.800113.4Q104 M105Q104-Q107 PolarHBondContact O-N 2.84Å; M105-Q107 VanDerWaalsContact C-N 3.33Å; M105-Q107 PolarHBondContact O-N 3.37Å
108I51.8Low57.1Low112 Ų112106.2 Ų106.257%0.57456%0.558SS**Hα-helixtrans-100.7-29.7-172.5-63.7168.4000112.2Q104 M105Q104-I108 HydrophobicContact CB-CD1 4.47Å; Q104-I108 WeakPolarHBondContact O-CG1 3.37Å; Q104-I108 PolarHBondContact O-N 2.86Å; M105-I108 PolarHBondContact O-N 2.66Å
109L53.8Low59.1Low44 Ų44103.2 Ų103.223%0.2354%0.544CS..SBendtrans-91.1125.6174.4-8269.8000110.1M105 Q113 L117M105-L109 HydrophobicContact CE-CD1 4.34Å; M105-L109 HydrophobicContact CE-CD2 4.15Å; M105-L109 HydrophobicContact CG-CD1 4.01Å; M105-L109 PolarHBondContact O-N 3.14Å; L109-Q113 HydrophobicContact CB-CB 4.1Å; L109-Q113 HydrophobicContact CD2-CB 4.31Å; L109-Q113 HydrophobicContact CG-CB 4.16Å; L109-L117 HydrophobicContact CD2-CD2 4.1Å
110S67.8Low60.6Low48 Ų4899.9 Ų99.934%0.33653%0.527SS..  trans-61153.7168.163.40000111P112 Q113 L114S110-P112 VanDerWaalsContact C-CD 3.49Å; S110-Q113 WeakPolarHBondContact O-CA 3.42Å; S110-Q113 WeakPolarHBondContact O-CB 3.42Å; S110-Q113 PolarHBondContact O-N 3.48Å; S110-Q113 WeakPolarHBondContact OG-CG 3.4Å; S110-Q113 PolarHBondContact OG-OE1 3.28Å; S110-L114 PolarHBondContact O-N 3.07Å
111P64.6Low61.6Low106 Ų106100.3 Ų100.369%0.68853%0.526SS*.Hα-helixtrans-46.9-44.9178.7-29.135.4000115.6Q113 L114 Q115P111-Q113 PolarHBondContact O-N 2.87Å; P111-L114 PolarHBondContact O-N 3.28Å; P111-Q115 PolarHBondContact O-N 3.15Å
112P59.1Low61.9Low92 Ų92100.7 Ų100.760%0.59752%0.523SS*.Hα-helixtrans-68-29175.726.3-35.1000113.9S110 A116S110-P112 VanDerWaalsContact C-CD 3.49Å; P112-A116 VanDerWaalsContact O-CB 3.26Å; P112-A116 WeakPolarHBondContact O-CB 3.33Å; P112-A116 PolarHBondContact O-N 3.48Å
113Q58.8Low62.5Low108 Ų10898.3 Ų98.351%0.50551%0.512SS..Hα-helixtrans-70.5-39.5173.5-72167.8-56.900111.6L109 S110 P111 A116 L117L109-Q113 HydrophobicContact CB-CB 4.1Å; L109-Q113 HydrophobicContact CD2-CB 4.31Å; L109-Q113 HydrophobicContact CG-CB 4.16Å; S110-Q113 WeakPolarHBondContact O-CA 3.42Å; S110-Q113 WeakPolarHBondContact O-CB 3.42Å; S110-Q113 PolarHBondContact O-N 3.48Å; S110-Q113 WeakPolarHBondContact OG-CG 3.4Å; S110-Q113 PolarHBondContact OG-OE1 3.28Å; P111-Q113 PolarHBondContact O-N 2.87Å; Q113-A116 PolarHBondContact O-N 3.22Å; Q113-L117 WeakPolarHBondContact O-CB 3.38Å; Q113-L117 PolarHBondContact O-N 2.96Å
114L66.4Low63.2Low81 Ų8195.3 Ų95.342%0.42450%0.501SS..Hα-helixtrans-64.7-42174.6-175.562.7000111.1S110 P111 L117 L118S110-L114 PolarHBondContact O-N 3.07Å; P111-L114 PolarHBondContact O-N 3.28Å; L114-L117 PolarHBondContact O-N 3.41Å; L114-L118 PolarHBondContact O-N 2.88Å
115Q71.6Confident64.1Low136 Ų13693.5 Ų93.564%0.63649%0.493SS*.Hα-helixtrans-68.4-37.4176.3-170.11521.600112.5P111 L117 L118 Q119P111-Q115 PolarHBondContact O-N 3.15Å; Q115-L117 VanDerWaalsContact C-N 3.35Å; Q115-L117 PolarHBondContact O-N 3.34Å; Q115-L118 PolarHBondContact O-N 3.36Å; Q115-Q119 VanDerWaalsContact O-CB 3.29Å; Q115-Q119 WeakPolarHBondContact O-CB 3.38Å; Q115-Q119 PolarHBondContact O-N 3.05Å
116A68.3Low64.9Low60 Ų6093.7 Ų93.750%0.49650%0.495SS..Hα-helixtrans-63.5-38.3172.600000112.4P112 Q113 Q119 Q120P112-A116 VanDerWaalsContact O-CB 3.26Å; P112-A116 WeakPolarHBondContact O-CB 3.33Å; P112-A116 PolarHBondContact O-N 3.48Å; Q113-A116 PolarHBondContact O-N 3.22Å; A116-Q119 PolarHBondContact O-N 3.4Å; A116-Q120 WeakPolarHBondContact O-CB 3.21Å; A116-Q120 PolarHBondContact O-N 3.13Å
117L72.4Confident65.7Low65 Ų6593.5 Ų93.534%0.3450%0.495SS..Hα-helixtrans-66.6-42.3175.2-175.465.4000111.9M105 L109 Q113 L114 Q115 Q120 Q121M105-L117 HydrophobicContact CE-CD2 3.52Å; L109-L117 HydrophobicContact CD2-CD2 4.1Å; Q113-L117 WeakPolarHBondContact O-CB 3.38Å; Q113-L117 PolarHBondContact O-N 2.96Å; L114-L117 PolarHBondContact O-N 3.41Å; Q115-L117 VanDerWaalsContact C-N 3.35Å; Q115-L117 PolarHBondContact O-N 3.34Å; L117-Q120 PolarHBondContact O-N 2.98Å; L117-Q121 PolarHBondContact O-N 3.27Å
118L75.3Confident66.4Low84 Ų8492.9 Ų92.944%0.4449%0.492SS..Hα-helixtrans-63.9-42174.5-169.570.2000111.4L114 Q115 Q120 Q121 Q122 L189L114-L118 PolarHBondContact O-N 2.88Å; Q115-L118 PolarHBondContact O-N 3.36Å; L118-Q120 VanDerWaalsContact C-N 3.34Å; L118-Q120 PolarHBondContact O-N 3.45Å; L118-Q121 PolarHBondContact O-N 3.45Å; L118-Q122 WeakPolarHBondContact O-CB 3.38Å; L118-Q122 PolarHBondContact O-N 3.21Å; L118-L189 HydrophobicContact CD1-CD2 4.43Å; L118-L189 HydrophobicContact CD2-CD2 4.33Å
119Q76.1Confident66.8Low107 Ų10790.1 Ų90.150%0.548%0.478SS..Hα-helixtrans-63.1-40.1176.3-167.4708600111.8Q115 A116 Q122 A123Q115-Q119 VanDerWaalsContact O-CB 3.29Å; Q115-Q119 WeakPolarHBondContact O-CB 3.38Å; Q115-Q119 PolarHBondContact O-N 3.05Å; A116-Q119 PolarHBondContact O-N 3.4Å; Q119-Q122 PolarHBondContact O-N 3.48Å; Q119-A123 WeakPolarHBondContact O-CB 3.26Å; Q119-A123 PolarHBondContact O-N 3.43Å
120Q73.8Confident67Low120 Ų12095.5 Ų95.556%0.56150%0.499SS*.Hα-helixtrans-65.1-43.8174.7-176.8-179.1100.900111.7A116 L117 L118 Q122 A123 L124A116-Q120 WeakPolarHBondContact O-CB 3.21Å; A116-Q120 PolarHBondContact O-N 3.13Å; L117-Q120 PolarHBondContact O-N 2.98Å; L118-Q120 VanDerWaalsContact C-N 3.34Å; L118-Q120 PolarHBondContact O-N 3.45Å; Q120-Q122 PolarHBondContact O-N 3.14Å; Q120-A123 PolarHBondContact O-N 3.31Å; Q120-L124 HydrophobicContact CG-CD1 4.34Å; Q120-L124 WeakPolarHBondContact O-CG 3.44Å; Q120-L124 PolarHBondContact O-N 3.06Å
121Q69.8Low66.8Low116 Ų11694.9 Ų94.954%0.54250%0.501SS..Hα-helixtrans-61.3-43.4175.6-172.1-176.396.900111.5L117 L118 L124 M125L117-Q121 PolarHBondContact O-N 3.27Å; L118-Q121 PolarHBondContact O-N 3.45Å; Q121-L124 PolarHBondContact O-N 3.25Å; Q121-M125 PolarHBondContact O-N 3.15Å
122Q62.4Low66.5Low80 Ų8096.3 Ų96.337%0.37449%0.493SS..Hα-helixtrans-63.8-39.9175.9-171.3178.272.500112L118 Q119 Q120 M125 L126L118-Q122 WeakPolarHBondContact O-CB 3.38Å; L118-Q122 PolarHBondContact O-N 3.21Å; Q119-Q122 PolarHBondContact O-N 3.48Å; Q120-Q122 PolarHBondContact O-N 3.14Å; Q122-M125 PolarHBondContact O-N 3.09Å; Q122-L126 HydrophobicContact CG-CD1 4.44Å; Q122-L126 WeakPolarHBondContact O-CG 3.41Å; Q122-L126 PolarHBondContact O-N 3.49Å
123A64.2Low66.4Low55 Ų5595.5 Ų95.546%0.45548%0.48SS..Hα-helixtrans-64.2-42.4175.700000112.5Q119 Q120 L126 Q127Q119-A123 WeakPolarHBondContact O-CB 3.26Å; Q119-A123 PolarHBondContact O-N 3.43Å; Q120-A123 PolarHBondContact O-N 3.31Å; A123-L126 PolarHBondContact O-N 3.07Å; A123-Q127 WeakPolarHBondContact O-CB 3.43Å; A123-Q127 PolarHBondContact O-N 2.82Å
124L67.2Low66.6Low93 Ų9396.6 Ų96.649%0.48748%0.484SS..Hα-helixtrans-64.7-40.9175.8-71.8168.1000112Q120 Q121 Q127 Q128Q120-L124 HydrophobicContact CG-CD1 4.34Å; Q120-L124 WeakPolarHBondContact O-CG 3.44Å; Q120-L124 PolarHBondContact O-N 3.06Å; Q121-L124 PolarHBondContact O-N 3.25Å; L124-Q127 PolarHBondContact O-N 2.89Å; L124-Q128 WeakPolarHBondContact O-CG 3.26Å; L124-Q128 PolarHBondContact O-N 2.9Å
125M69.3Low66.5Low64 Ų6498.3 Ų98.332%0.31549%0.489SS..Hα-helixtrans-59.9-46.2173.9-169.5-167.5-56.600111.5Q121 Q122 Q127 Q128 L129 L184Q121-M125 PolarHBondContact O-N 3.15Å; Q122-M125 PolarHBondContact O-N 3.09Å; M125-Q127 VanDerWaalsContact C-N 3.3Å; M125-Q127 PolarHBondContact O-N 2.86Å; M125-Q128 PolarHBondContact O-N 3.34Å; M125-L129 PolarHBondContact O-N 3.25Å; M125-L184 HydrophobicContact SD-CD1 4.33Å
126L66.8Low65.8Low86 Ų8694 Ų9445%0.4547%0.472SS..Hα-helixtrans-65.7-31.4176.4-72170.2000112.7Q122 A123 K130Q122-L126 HydrophobicContact CG-CD1 4.44Å; Q122-L126 WeakPolarHBondContact O-CG 3.41Å; Q122-L126 PolarHBondContact O-N 3.49Å; A123-L126 PolarHBondContact O-N 3.07Å; L126-K130 WeakPolarHBondContact O-CB 3.47Å; L126-K130 VanDerWaalsContact O-CG 3.27Å; L126-K130 WeakPolarHBondContact O-CG 3.36Å; L126-K130 PolarHBondContact O-N 3.24Å
127Q69.8Low65.2Low134 Ų13499.8 Ų99.863%0.62648%0.481SS*.Hα-helixtrans-69-42.7174.3-169.6174.912.600111.7A123 L124 M125 K130 G131A123-Q127 WeakPolarHBondContact O-CB 3.43Å; A123-Q127 PolarHBondContact O-N 2.82Å; L124-Q127 PolarHBondContact O-N 2.89Å; M125-Q127 VanDerWaalsContact C-N 3.3Å; M125-Q127 PolarHBondContact O-N 2.86Å; Q127-K130 PolarHBondContact O-N 2.91Å; Q127-G131 PolarHBondContact O-N 3.09Å
128Q65.9Low64.9Low160 Ų160101.3 Ų101.375%0.74849%0.487SS*.Hα-helixtrans-61.2-45173.1-66.9-120.1-70.400111.5L124 M125 K130 G131 Y132L124-Q128 WeakPolarHBondContact O-CG 3.26Å; L124-Q128 PolarHBondContact O-N 2.9Å; M125-Q128 PolarHBondContact O-N 3.34Å; Q128-K130 VanDerWaalsContact C-N 3.35Å; Q128-K130 PolarHBondContact O-N 3.44Å; Q128-G131 WeakPolarHBondContact O-CA 3.4Å; Q128-G131 PolarHBondContact O-N 3.47Å; Q128-G131 VanDerWaalsContact O-N 3.13Å; Q128-Y132 PolarHBondContact O-N 3.38Å
129L60Low64.5Low54 Ų54103.5 Ų103.528%0.28350%0.495SS..Hα-helixtrans-62-39.6177.2-174.663.9000112.3M125 Y132 K133M125-L129 PolarHBondContact O-N 3.25Å; L129-Y132 PolarHBondContact O-N 2.93Å; L129-K133 WeakPolarHBondContact O-CB 3.43Å; L129-K133 WeakPolarHBondContact O-CG 3.46Å; L129-K133 PolarHBondContact O-N 3.41Å
130K56.7Low63.7Low156 Ų156102.1 Ų102.168%0.67849%0.49SS*.Hα-helixtrans-65.1-37.9173.3-75.8172-179.2-178.90112.3L126 Q127 Q128 K134L126-K130 WeakPolarHBondContact O-CB 3.47Å; L126-K130 VanDerWaalsContact O-CG 3.27Å; L126-K130 WeakPolarHBondContact O-CG 3.36Å; L126-K130 PolarHBondContact O-N 3.24Å; Q127-K130 PolarHBondContact O-N 2.91Å; Q128-K130 VanDerWaalsContact C-N 3.35Å; Q128-K130 PolarHBondContact O-N 3.44Å; K130-K134 WeakPolarHBondContact O-CB 3.5Å; K130-K134 PolarHBondContact O-N 2.78Å
131G64.6Low63.2Low36 Ų36102.8 Ų102.837%0.37149%0.492SS..Hα-helixtrans-59.4-55.3172.100000111.6Q127 Q128 K133 K134 E135Q127-G131 PolarHBondContact O-N 3.09Å; Q128-G131 WeakPolarHBondContact O-CA 3.4Å; Q128-G131 PolarHBondContact O-N 3.47Å; Q128-G131 VanDerWaalsContact O-N 3.13Å; G131-K133 PolarHBondContact O-N 3.19Å; G131-K134 WeakPolarHBondContact O-CB 3.44Å; G131-K134 PolarHBondContact O-N 3.28Å; G131-E135 PolarHBondContact O-N 3.08Å
132Y58Low62.9Low136 Ų136102 Ų10253%0.53349%0.49SS..Hα-helixtrans-56.8-46.6178.7-175.8-105.6000112.4Q128 L129 K134 E135 T136Q128-Y132 PolarHBondContact O-N 3.38Å; L129-Y132 PolarHBondContact O-N 2.93Å; Y132-K134 VanDerWaalsContact C-N 3.32Å; Y132-K134 PolarHBondContact O-N 3.18Å; Y132-E135 PolarHBondContact O-N 2.95Å; Y132-T136 WeakPolarHBondContact O-CB 3.12Å; Y132-T136 PolarHBondContact O-N 2.89Å; Y132-T136 PolarHBondContact O-OG1 3.34Å; Y132-T136 VanDerWaalsContact O-OG1 3.04Å
133K57.9Low63Low74 Ų74103.8 Ų103.832%0.32250%0.499SS..Hα-helixtrans-61.6-36175.8-71.7-172.8-179.9-1640112.9L129 G131 R137 Y173 E177L129-K133 WeakPolarHBondContact O-CB 3.43Å; L129-K133 WeakPolarHBondContact O-CG 3.46Å; L129-K133 PolarHBondContact O-N 3.41Å; G131-K133 PolarHBondContact O-N 3.19Å; K133-R137 WeakPolarHBondContact O-CB 3.2Å; K133-R137 PolarHBondContact O-N 2.75Å; K133-Y173 WeakPolarHBondContact CE-OH 3.49Å; K133-Y173 HydrophobicContact CG-CE2 4.43Å; K133-Y173 PolarHBondContact NZ-OH 2.66Å; K133-E177 IonicContact NZ-OE2 2.77Å; K133-E177 PolarHBondContact NZ-OE2 2.96Å
134K61.6Low62.6Low132 Ų132105.2 Ų105.257%0.57450%0.499SS*.Hα-helixtrans-67.2-44.7174.7-175.8-172.1174.3-1700111.4K130 G131 Y132 R137 Q138K130-K134 WeakPolarHBondContact O-CB 3.5Å; K130-K134 PolarHBondContact O-N 2.78Å; G131-K134 WeakPolarHBondContact O-CB 3.44Å; G131-K134 PolarHBondContact O-N 3.28Å; Y132-K134 VanDerWaalsContact C-N 3.32Å; Y132-K134 PolarHBondContact O-N 3.18Å; K134-R137 PolarHBondContact O-N 3.4Å; K134-Q138 PolarHBondContact O-N 3.03Å
135E65.6Low61.9Low116 Ų116104.4 Ų104.454%0.54250%0.498SS..Hα-helixtrans-68.9-44.4-177.9-172.7171.7-163.200112G131 Y132 R137 Q138 Q139G131-E135 PolarHBondContact O-N 3.08Å; Y132-E135 PolarHBondContact O-N 2.95Å; E135-R137 VanDerWaalsContact C-N 3.33Å; E135-R137 PolarHBondContact O-N 3.13Å; E135-Q138 WeakPolarHBondContact O-CB 3.46Å; E135-Q138 PolarHBondContact O-N 3.16Å; E135-Q139 PolarHBondContact O-N 2.97Å
136T56Low61.1Low46 Ų46106.6 Ų106.628%0.28252%0.515SS..Hα-helixtrans-58-44.4171.7-57.40000111.3Y132 Q138 Q139 L140Y132-T136 WeakPolarHBondContact O-CB 3.12Å; Y132-T136 PolarHBondContact O-N 2.89Å; Y132-T136 PolarHBondContact O-OG1 3.34Å; Y132-T136 VanDerWaalsContact O-OG1 3.04Å; T136-Q138 VanDerWaalsContact C-N 3.27Å; T136-Q138 PolarHBondContact O-N 3.39Å; T136-Q139 PolarHBondContact O-N 3.47Å; T136-L140 WeakPolarHBondContact O-CB 3.4Å; T136-L140 PolarHBondContact O-N 3.41Å
137R55.7Low60.4Low181 Ų181108.5 Ų108.568%0.68352%0.521SS*.Hα-helixtrans-61.5-34.9175-171.6-176.271.1175.86112.3K133 K134 E135 F141K133-R137 WeakPolarHBondContact O-CB 3.2Å; K133-R137 PolarHBondContact O-N 2.75Å; K134-R137 PolarHBondContact O-N 3.4Å; E135-R137 VanDerWaalsContact C-N 3.33Å; E135-R137 PolarHBondContact O-N 3.13Å; R137-F141 WeakPolarHBondContact O-CB 3.32Å; R137-F141 PolarHBondContact O-N 3.07Å
138Q66.6Low59.4Low97 Ų97110.2 Ų110.245%0.45353%0.529SS..Hα-helixtrans-73.1-38.6178.9-165.3166.217.400112.2K134 E135 T136 F141 L142K134-Q138 PolarHBondContact O-N 3.03Å; E135-Q138 WeakPolarHBondContact O-CB 3.46Å; E135-Q138 PolarHBondContact O-N 3.16Å; T136-Q138 VanDerWaalsContact C-N 3.27Å; T136-Q138 PolarHBondContact O-N 3.39Å; Q138-F141 PolarHBondContact O-N 2.95Å; Q138-L142 PolarHBondContact O-N 3.29Å
139Q65.9Low58.4Low131 Ų131108 Ų10861%0.61253%0.528SS*.Hα-helixtrans-62.2-44.6169.7-70.8-170.84.900111.8E135 T136 F141 L142 Q143E135-Q139 PolarHBondContact O-N 2.97Å; T136-Q139 PolarHBondContact O-N 3.47Å; Q139-F141 VanDerWaalsContact C-N 3.31Å; Q139-F141 PolarHBondContact O-N 3.48Å; Q139-L142 PolarHBondContact O-N 3.28Å; Q139-Q143 WeakPolarHBondContact O-CB 3.46Å; Q139-Q143 PolarHBondContact O-N 3.3Å
140L59Low57.6Low77 Ų77110.8 Ų110.840%0.40356%0.559SS.*Hα-helixtrans-63.5-37.8179.9-140165.3000111.5T136 L144 T166T136-L140 WeakPolarHBondContact O-CB 3.4Å; T136-L140 PolarHBondContact O-N 3.41Å; L140-L144 HydrophobicContact CD2-CD1 4.1Å; L140-L144 PolarHBondContact O-N 3.1Å; L140-L144 VanDerWaalsContact O-N 3.17Å; L140-T166 HydrophobicContact CD2-CG2 4.4Å
141F64.2Low56.9Low135 Ų135106.5 Ų106.559%0.59256%0.56SS**Hα-helixtrans-65.1-46.5171.5-178.6-98.6000112.6R137 Q138 Q139 Q143 L144 T145R137-F141 WeakPolarHBondContact O-CB 3.32Å; R137-F141 PolarHBondContact O-N 3.07Å; Q138-F141 PolarHBondContact O-N 2.95Å; Q139-F141 VanDerWaalsContact C-N 3.31Å; Q139-F141 PolarHBondContact O-N 3.48Å; F141-Q143 VanDerWaalsContact C-N 3.29Å; F141-Q143 PolarHBondContact O-N 2.84Å; F141-L144 WeakPolarHBondContact O-CB 3.25Å; F141-L144 PolarHBondContact O-N 3.24Å; F141-L144 VanDerWaalsContact O-N 3.14Å; F141-T145 HydrophobicContact CE1-CG2 4.17Å; F141-T145 HydrophobicContact CZ-CG2 4.16Å; F141-T145 PolarHBondContact O-N 3.34Å; F141-T145 VanDerWaalsContact O-N 3.09Å; F141-T145 PolarHBondContact O-OG1 3.16Å
142L63.5Low55.9Low98 Ų98114.3 Ų114.351%0.51358%0.584SS.*Hα-helixtrans-58.4-40.4175.6-107.367.6000112.1Q138 Q139 L144 T145 T146Q138-L142 PolarHBondContact O-N 3.29Å; Q139-L142 PolarHBondContact O-N 3.28Å; L142-L144 VanDerWaalsContact C-N 3.29Å; L142-L144 PolarHBondContact O-N 2.88Å; L142-T145 WeakPolarHBondContact CA-OG1 3.41Å; L142-T145 PolarHBondContact O-N 2.77Å; L142-T145 PolarHBondContact O-OG1 3.03Å; L142-T145 VanDerWaalsContact O-OG1 3.04Å; L142-T146 WeakPolarHBondContact O-CG2 3.28Å; L142-T146 PolarHBondContact O-N 3.29Å; L142-T146 PolarHBondContact O-OG1 3.26Å; L142-T146 VanDerWaalsContact O-OG1 3.08Å
143Q64.5Low55.1Low118 Ų118117 Ų11755%0.55160%0.601SS**Hα-helixtrans-72.4-21.4179.5-167.9167.85.400113.1Q139 F141Q139-Q143 WeakPolarHBondContact O-CB 3.46Å; Q139-Q143 PolarHBondContact O-N 3.3Å; F141-Q143 VanDerWaalsContact C-N 3.29Å; F141-Q143 PolarHBondContact O-N 2.84Å
144L56Low54.4Low86 Ų86118.4 Ų118.445%0.4563%0.627SS.*Hα-helixtrans-74-42.5167.2-107.567.5000111.6L140 F141 L142 L162L140-L144 HydrophobicContact CD2-CD1 4.1Å; L140-L144 PolarHBondContact O-N 3.1Å; L140-L144 VanDerWaalsContact O-N 3.17Å; F141-L144 WeakPolarHBondContact O-CB 3.25Å; F141-L144 PolarHBondContact O-N 3.24Å; F141-L144 VanDerWaalsContact O-N 3.14Å; L142-L144 VanDerWaalsContact C-N 3.29Å; L142-L144 PolarHBondContact O-N 2.88Å; L144-L162 HydrophobicContact CG-CD2 4.44Å
145T52.5Low53Low76 Ų76116.1 Ų116.147%0.46663%0.632SS.*Hα-helixtrans-74.3-30-178.247.10000113.9F141 L142 Q147F141-T145 HydrophobicContact CE1-CG2 4.17Å; F141-T145 HydrophobicContact CZ-CG2 4.16Å; F141-T145 PolarHBondContact O-N 3.34Å; F141-T145 VanDerWaalsContact O-N 3.09Å; F141-T145 PolarHBondContact O-OG1 3.16Å; L142-T145 WeakPolarHBondContact CA-OG1 3.41Å; L142-T145 PolarHBondContact O-N 2.77Å; L142-T145 PolarHBondContact O-OG1 3.03Å; L142-T145 VanDerWaalsContact O-OG1 3.04Å; T145-Q147 VanDerWaalsContact C-N 3.31Å; T145-Q147 PolarHBondContact O-N 3.46Å
146T53Low51.8Low110 Ų110120 Ų12068%0.67565%0.647SS**THydrogen-bonded Turntrans-77.4-9.9177.953.10000114.8L142L142-T146 WeakPolarHBondContact O-CG2 3.28Å; L142-T146 PolarHBondContact O-N 3.29Å; L142-T146 PolarHBondContact O-OG1 3.26Å; L142-T146 VanDerWaalsContact O-OG1 3.08Å
147Q52.6Low51.2Low125 Ų125123.7 Ų123.758%0.58466%0.661SS**THydrogen-bonded Turntrans-95.913175.9-73.9-143108.800114.6T145 P149T145-Q147 VanDerWaalsContact C-N 3.31Å; T145-Q147 PolarHBondContact O-N 3.46Å; Q147-P149 VanDerWaalsContact O-CD 3.28Å; Q147-P149 WeakPolarHBondContact O-CD 3.17Å
148Q47.1Very low50.7Low170 Ų170119.3 Ų119.379%0.79466%0.656SS**  trans-84.4111.8174.5-162.2175.4109.300110.4
149P45.7Very low49.6Very low113 Ų113120 Ų12073%0.73467%0.667SS**  trans-76.7134.1-17531-34.7000111.7Q147 G151Q147-P149 VanDerWaalsContact O-CD 3.28Å; Q147-P149 WeakPolarHBondContact O-CD 3.17Å; P149-G151 PolarHBondContact O-N 3.39Å; P149-G151 VanDerWaalsContact O-N 3.16Å
150A43Very low48.7Very low113 Ų113116.9 Ų116.993%0.93466%0.657SS**  trans-79.992173.800000110.9
151G42.1Very low48.1Very low67 Ų67116.1 Ų116.169%0.69166%0.661SS**SBendtrans158109.9170.200000116.7P149P149-G151 PolarHBondContact O-N 3.39Å; P149-G151 VanDerWaalsContact O-N 3.16Å
152K43.8Very low47.5Very low200 Ų200112.4 Ų112.487%0.8765%0.648SS**  trans7.7124.3151.5-64.4179.9177.1-179.60119.4
153Q40.5Very low46.8Very low193 Ų193109.5 Ų109.590%0.90264%0.638SS**  trans91.8126.5154.2-59.7-171.191.200120.6
154A43.4Very low46.3Very low103 Ų103109.2 Ų109.285%0.85164%0.64SS**  trans33.4102.1149.500000121.5
155A31.9Very low46.3Very low84 Ų84107.9 Ų107.969%0.69464%0.641SS**  trans-157.9141143.100000110.7E157A155-E157 PolarHBondContact O-N 2.96Å
156K40.7Very low46.4Very low196 Ų196106.8 Ų106.885%0.85263%0.634SS**SBendtrans-92.325.2177.6-80.2-171.3177.1179.20114
157E43.4Very low46.7Very low125 Ų125103.8 Ų103.858%0.58461%0.612SS**  trans-122.94.5-171.8-101.1-72.189.100119.4A155 T160A155-E157 PolarHBondContact O-N 2.96Å; E157-T160 WeakPolarHBondContact OE1-CB 3.08Å; E157-T160 PolarHBondContact OE1-OG1 3.39Å
158P45.7Very low47Very low88 Ų88101.2 Ų101.257%0.57161%0.607SS**Hα-helixtrans-78.3-21.9-178.632.1-35.3000114.3L162P158-L162 PolarHBondContact O-N 2.86Å
159V43.7Very low47.7Very low112 Ų11298 Ų9868%0.67959%0.592SS**Hα-helixtrans-74.5-41.4-172-175.50000111.5A161 L162 A163V159-A161 VanDerWaalsContact C-N 3.35Å; V159-A161 PolarHBondContact O-N 2.9Å; V159-L162 PolarHBondContact O-N 3.45Å; V159-A163 PolarHBondContact O-N 3.48Å
160T46Very low48.2Very low65 Ų6598.1 Ų98.140%0.39959%0.585SS.*Hα-helixtrans-60-43.7-179.3-28.60000111.5E157 A163 L164E157-T160 WeakPolarHBondContact OE1-CB 3.08Å; E157-T160 PolarHBondContact OE1-OG1 3.39Å; T160-A163 PolarHBondContact O-N 3.46Å; T160-L164 WeakPolarHBondContact O-CG 3.36Å; T160-L164 PolarHBondContact O-N 2.88Å; T160-L164 VanDerWaalsContact O-N 3.13Å
161A47Very low49.3Very low61 Ų6196.6 Ų96.650%0.50456%0.561SS.*Hα-helixtrans-65.4-39176.500000112.9V159 L164 A165V159-A161 VanDerWaalsContact C-N 3.35Å; V159-A161 PolarHBondContact O-N 2.9Å; A161-L164 PolarHBondContact O-N 3.47Å; A161-A165 WeakPolarHBondContact O-CB 3.44Å; A161-A165 PolarHBondContact O-N 2.72Å
162L51.9Low50.4Low58 Ų58101.8 Ų101.830%0.30456%0.56SS.*Hα-helixtrans-67.7-36.7177.9-169.868.2000112L144 P158 V159 A165 T166L144-L162 HydrophobicContact CG-CD2 4.44Å; P158-L162 PolarHBondContact O-N 2.86Å; V159-L162 PolarHBondContact O-N 3.45Å; L162-A165 PolarHBondContact O-N 3.08Å; L162-T166 PolarHBondContact O-N 3.38Å; L162-T166 VanDerWaalsContact O-N 3.14Å; L162-T166 PolarHBondContact O-OG1 2.84Å
163A48.5Very low51.2Low37 Ų3796.5 Ų96.531%0.30654%0.535SS..Hα-helixtrans-64.5-45.2173.700000112V159 T160 A165 T166 Q167V159-A163 PolarHBondContact O-N 3.48Å; T160-A163 PolarHBondContact O-N 3.46Å; A163-A165 VanDerWaalsContact C-N 3.33Å; A163-A165 PolarHBondContact O-N 2.77Å; A163-T166 PolarHBondContact O-N 3.28Å; A163-T166 PolarHBondContact O-OG1 2.92Å; A163-T166 VanDerWaalsContact O-OG1 3.1Å; A163-Q167 PolarHBondContact O-N 3.39Å
164L54.3Low52.2Low112 Ų11291.5 Ų91.559%0.58651%0.513SS*.Hα-helixtrans-63.2-36.6176-72.8166.5000112.5T160 A161 P168T160-L164 WeakPolarHBondContact O-CG 3.36Å; T160-L164 PolarHBondContact O-N 2.88Å; T160-L164 VanDerWaalsContact O-N 3.13Å; A161-L164 PolarHBondContact O-N 3.47Å; L164-P168 WeakPolarHBondContact O-CD 3.22Å
165A55.2Low53.4Low57 Ų5792.8 Ų92.847%0.47150%0.501SS..Hα-helixtrans-70.8-27.3176.300000113.9A161 L162 A163A161-A165 WeakPolarHBondContact O-CB 3.44Å; A161-A165 PolarHBondContact O-N 2.72Å; L162-A165 PolarHBondContact O-N 3.08Å; A163-A165 VanDerWaalsContact C-N 3.33Å; A163-A165 PolarHBondContact O-N 2.77Å
166T55.3Low55.2Low54 Ų5492.3 Ų92.333%0.33149%0.49SS..Hα-helixtrans-90.8-28.4-178.444.40000113.7L140 L162 A163 Q169 L170L140-T166 HydrophobicContact CD2-CG2 4.4Å; L162-T166 PolarHBondContact O-N 3.38Å; L162-T166 VanDerWaalsContact O-N 3.14Å; L162-T166 PolarHBondContact O-OG1 2.84Å; A163-T166 PolarHBondContact O-N 3.28Å; A163-T166 PolarHBondContact O-OG1 2.92Å; A163-T166 VanDerWaalsContact O-OG1 3.1Å; T166-Q169 PolarHBondContact O-N 2.84Å; T166-L170 PolarHBondContact O-N 3.09Å
167Q57.8Low56.2Low46 Ų4686.6 Ų86.622%0.21547%0.466CS..Hα-helixtrans-48-50.3175-172.8-178.9101.200114.8A163 Q169 L170 I171A163-Q167 PolarHBondContact O-N 3.39Å; Q167-Q169 VanDerWaalsContact C-N 3.32Å; Q167-Q169 PolarHBondContact O-N 2.93Å; Q167-L170 PolarHBondContact O-N 3.46Å; Q167-I171 HydrophobicContact CG-CD1 4.15Å; Q167-I171 WeakPolarHBondContact O-CG1 3.15Å; Q167-I171 PolarHBondContact O-N 2.95Å; Q167-I171 VanDerWaalsContact O-N 3.12Å
168P60.4Low57.1Low72 Ų7286.4 Ų86.447%0.46847%0.465SS..Hα-helixtrans-67.3-29-17825.6-35.1000113.6L164 R172L164-P168 WeakPolarHBondContact O-CD 3.22Å; P168-R172 WeakPolarHBondContact O-CB 3.46Å; P168-R172 PolarHBondContact O-N 2.9Å
169Q60.7Low58.1Low102 Ų10288.8 Ų88.848%0.47747%0.469SS..Hα-helixtrans-70.4-38175.6-59.4-676.100111.1T166 Q167 R172 Y173T166-Q169 PolarHBondContact O-N 2.84Å; Q167-Q169 VanDerWaalsContact C-N 3.32Å; Q167-Q169 PolarHBondContact O-N 2.93Å; Q169-R172 PolarHBondContact O-N 3.5Å; Q169-Y173 WeakPolarHBondContact O-CB 3.23Å; Q169-Y173 PolarHBondContact O-N 2.91Å
170L57.1Low58.9Low115 Ų11586.7 Ų86.760%0.60245%0.452SS*.Hα-helixtrans-64.8-43.1176.2-16075.9000111.5T166 Q167 R172 Y173 I174T166-L170 PolarHBondContact O-N 3.09Å; Q167-L170 PolarHBondContact O-N 3.46Å; L170-R172 VanDerWaalsContact C-N 3.35Å; L170-R172 PolarHBondContact O-N 3.23Å; L170-Y173 WeakPolarHBondContact O-CB 3.42Å; L170-Y173 PolarHBondContact O-N 3.06Å; L170-I174 HydrophobicContact CG-CD1 4.46Å; L170-I174 WeakPolarHBondContact O-CG1 3.1Å; L170-I174 PolarHBondContact O-N 3.02Å
171I66.3Low59.9Low82 Ų8288.1 Ų88.142%0.42146%0.456SS..Hα-helixtrans-60.4-45.1174-66168.1000110.5Q167 Y173 I174 Q175Q167-I171 HydrophobicContact CG-CD1 4.15Å; Q167-I171 WeakPolarHBondContact O-CG1 3.15Å; Q167-I171 PolarHBondContact O-N 2.95Å; Q167-I171 VanDerWaalsContact O-N 3.12Å; I171-Y173 VanDerWaalsContact C-N 3.33Å; I171-Y173 PolarHBondContact O-N 3.26Å; I171-I174 PolarHBondContact O-N 3.49Å; I171-Q175 WeakPolarHBondContact O-CB 3.28Å; I171-Q175 PolarHBondContact O-N 3.27Å
172R65.4Low60.7Low176 Ų17689.8 Ų89.866%0.66446%0.456SS*.Hα-helixtrans-63.3-37.6178.2-161.1-179.8-165.6-172.15.5112.6P168 Q169 L170 V176P168-R172 WeakPolarHBondContact O-CB 3.46Å; P168-R172 PolarHBondContact O-N 2.9Å; Q169-R172 PolarHBondContact O-N 3.5Å; L170-R172 VanDerWaalsContact C-N 3.35Å; L170-R172 PolarHBondContact O-N 3.23Å; R172-V176 WeakPolarHBondContact O-CG2 3.37Å; R172-V176 PolarHBondContact O-N 3.3Å; R172-V176 VanDerWaalsContact O-N 3.15Å
173Y59.9Low61.2Low89 Ų8991.2 Ų91.235%0.34946%0.464SS..Hα-helixtrans-61.7-48.3173171.4-82.9000111.5K133 Q169 L170 I171 Q175 V176 E177K133-Y173 WeakPolarHBondContact CE-OH 3.49Å; K133-Y173 HydrophobicContact CG-CE2 4.43Å; K133-Y173 PolarHBondContact NZ-OH 2.66Å; Q169-Y173 WeakPolarHBondContact O-CB 3.23Å; Q169-Y173 PolarHBondContact O-N 2.91Å; L170-Y173 WeakPolarHBondContact O-CB 3.42Å; L170-Y173 PolarHBondContact O-N 3.06Å; I171-Y173 VanDerWaalsContact C-N 3.33Å; I171-Y173 PolarHBondContact O-N 3.26Å; Y173-Q175 VanDerWaalsContact C-N 3.34Å; Y173-Q175 PolarHBondContact O-N 3.36Å; Y173-V176 PolarHBondContact O-N 3.06Å; Y173-E177 PolarHBondContact O-N 2.86Å; Y173-E177 PolarHBondContact OH-OE2 2.99Å
174I61.9Low61.6Low88 Ų8891.6 Ų91.645%0.45146%0.46SS..Hα-helixtrans-62.7-40.6179-66.6165.1000111.1L170 I171 V176 E177 Q178L170-I174 HydrophobicContact CG-CD1 4.46Å; L170-I174 WeakPolarHBondContact O-CG1 3.1Å; L170-I174 PolarHBondContact O-N 3.02Å; I171-I174 PolarHBondContact O-N 3.49Å; I174-V176 PolarHBondContact O-N 3.36Å; I174-E177 PolarHBondContact O-N 3.15Å; I174-Q178 PolarHBondContact O-N 3.34Å
175Q68.1Low61.7Low129 Ų12991.8 Ų91.860%0.60346%0.458SS*.Hα-helixtrans-57.7-46.4175.7-166.687.25.100111.7I171 Y173 Q179I171-Q175 WeakPolarHBondContact O-CB 3.28Å; I171-Q175 PolarHBondContact O-N 3.27Å; Y173-Q175 VanDerWaalsContact C-N 3.34Å; Y173-Q175 PolarHBondContact O-N 3.36Å; Q175-Q179 WeakPolarHBondContact O-CB 3.18Å; Q175-Q179 PolarHBondContact O-N 3.33Å
176V70.8Confident61.7Low75 Ų7599.7 Ų99.746%0.45548%0.476SS..Hα-helixtrans-68.5-39.6179.6170.60000111.4R172 Y173 I174 Q179 H180R172-V176 WeakPolarHBondContact O-CG2 3.37Å; R172-V176 PolarHBondContact O-N 3.3Å; R172-V176 VanDerWaalsContact O-N 3.15Å; Y173-V176 PolarHBondContact O-N 3.06Å; I174-V176 PolarHBondContact O-N 3.36Å; V176-Q179 PolarHBondContact O-N 3.24Å; V176-H180 WeakPolarHBondContact O-CB 3.45Å; V176-H180 PolarHBondContact O-N 3.45Å
177E61.4Low61.5Low75 Ų75102 Ų10235%0.3548%0.483SS..Hα-helixtrans-65.2-44.1178.1-165.8165100.300111.8K133 Y173 I174 H180 I181K133-E177 IonicContact NZ-OE2 2.77Å; K133-E177 PolarHBondContact NZ-OE2 2.96Å; Y173-E177 PolarHBondContact O-N 2.86Å; Y173-E177 PolarHBondContact OH-OE2 2.99Å; I174-E177 PolarHBondContact O-N 3.15Å; E177-H180 PolarHBondContact O-N 3.16Å; E177-I181 HydrophobicContact CG-CD1 4.27Å; E177-I181 VanDerWaalsContact O-CG1 3.32Å; E177-I181 WeakPolarHBondContact O-CG1 3.32Å; E177-I181 PolarHBondContact O-N 3.13Å
178Q60.8Low61.2Low121 Ų121102.7 Ų102.757%0.56550%0.503SS*.Hα-helixtrans-60-46.1171.9-93.3-16374.100112.7I174 H180 I181 L182I174-Q178 PolarHBondContact O-N 3.34Å; Q178-H180 VanDerWaalsContact C-N 3.26Å; Q178-H180 PolarHBondContact O-N 2.89Å; Q178-I181 PolarHBondContact O-N 3.43Å; Q178-L182 PolarHBondContact O-N 2.83Å
179Q67Low60.8Low138 Ų138102.2 Ų102.265%0.64550%0.496SS*.Hα-helixtrans-64.7-32.8-178.7-165.1175.545.700111.9Q175 V176 N183Q175-Q179 WeakPolarHBondContact O-CB 3.18Å; Q175-Q179 PolarHBondContact O-N 3.33Å; V176-Q179 PolarHBondContact O-N 3.24Å; Q179-N183 WeakPolarHBondContact O-CB 3.44Å; Q179-N183 PolarHBondContact O-N 3.23Å; Q179-N183 VanDerWaalsContact O-N 3.16Å
180H62Low60.1Low69 Ų69100.6 Ų100.632%0.31949%0.493SS..Hα-helixtrans-68.7-44.5173-173.663.8000112.1V176 E177 Q178 L182 N183 L184V176-H180 WeakPolarHBondContact O-CB 3.45Å; V176-H180 PolarHBondContact O-N 3.45Å; E177-H180 PolarHBondContact O-N 3.16Å; Q178-H180 VanDerWaalsContact C-N 3.26Å; Q178-H180 PolarHBondContact O-N 2.89Å; H180-L182 PolarHBondContact O-N 3.45Å; H180-N183 WeakPolarHBondContact O-CA 3.5Å; H180-N183 WeakPolarHBondContact O-CB 3.38Å; H180-N183 PolarHBondContact O-N 2.98Å; H180-L184 WeakPolarHBondContact O-CD1 3.28Å; H180-L184 PolarHBondContact O-N 3.47Å
181I66.9Low59.1Low95 Ų95100.9 Ų100.949%0.48750%0.501SS..Hα-helixtrans-59.8-44.7176.8-68.9163.6000111.3E177 Q178 N183 L184 Q185E177-I181 HydrophobicContact CG-CD1 4.27Å; E177-I181 VanDerWaalsContact O-CG1 3.32Å; E177-I181 WeakPolarHBondContact O-CG1 3.32Å; E177-I181 PolarHBondContact O-N 3.13Å; Q178-I181 PolarHBondContact O-N 3.43Å; I181-N183 VanDerWaalsContact C-N 3.26Å; I181-N183 PolarHBondContact O-N 2.92Å; I181-L184 PolarHBondContact O-N 3.26Å; I181-Q185 PolarHBondContact O-N 3.43Å
182L62.3Low57.9Low96 Ų96105.4 Ų105.450%0.50353%0.526SS..Hα-helixtrans-61-35.5174.1-75.2167.1000112.3Q178 H180 Q185 R186Q178-L182 PolarHBondContact O-N 2.83Å; H180-L182 PolarHBondContact O-N 3.45Å; L182-Q185 PolarHBondContact O-N 3.34Å; L182-R186 WeakPolarHBondContact O-CG 3.45Å; L182-R186 PolarHBondContact O-N 3.25Å
183N62.9Low56.4Low88 Ų88105.8 Ų105.847%0.47154%0.535SS..Hα-helixtrans-68.1-40.6177.2-153-52.7000111.9Q179 H180 I181 R186 Q187Q179-N183 WeakPolarHBondContact O-CB 3.44Å; Q179-N183 PolarHBondContact O-N 3.23Å; Q179-N183 VanDerWaalsContact O-N 3.16Å; H180-N183 WeakPolarHBondContact O-CA 3.5Å; H180-N183 WeakPolarHBondContact O-CB 3.38Å; H180-N183 PolarHBondContact O-N 2.98Å; I181-N183 VanDerWaalsContact C-N 3.26Å; I181-N183 PolarHBondContact O-N 2.92Å; N183-R186 PolarHBondContact O-N 3.4Å; N183-Q187 WeakPolarHBondContact O-CG 3.38Å; N183-Q187 PolarHBondContact O-N 3.32Å; N183-Q187 PolarHBondContact O-NE2 2.94Å; N183-Q187 PolarHBondContact OD1-NE2 3Å
184L56.9Low55.4Low45 Ų45106.5 Ų106.524%0.23655%0.551CS.*Hα-helixtrans-61.8-41.6172.9-9462.6000112.2M125 H180 I181 Q187 L189M125-L184 HydrophobicContact SD-CD1 4.33Å; H180-L184 WeakPolarHBondContact O-CD1 3.28Å; H180-L184 PolarHBondContact O-N 3.47Å; I181-L184 PolarHBondContact O-N 3.26Å; L184-Q187 PolarHBondContact O-N 3.03Å; L184-L189 PolarHBondContact O-N 3.45Å
185Q55.6Low54.4Low116 Ų116108.8 Ų108.854%0.54257%0.569SS.*Hα-helixtrans-61.1-45.3173.3-97.6-173.1-12.500112.2I181 L182 Q187 G188 V190I181-Q185 PolarHBondContact O-N 3.43Å; L182-Q185 PolarHBondContact O-N 3.34Å; Q185-Q187 PolarHBondContact O-N 3.42Å; Q185-G188 PolarHBondContact O-N 2.71Å; Q185-V190 HydrophobicContact CG-CB 4.23Å; Q185-V190 HydrophobicContact CG-CG2 4.26Å
186R55.2Low52.7Low223 Ų223107.9 Ų107.984%0.84258%0.583SS**Hα-helixtrans-67.3-13.7178.9-70.1-157.275.9-110.2-2.7114.5L182 N183L182-R186 WeakPolarHBondContact O-CG 3.45Å; L182-R186 PolarHBondContact O-N 3.25Å; N183-R186 PolarHBondContact O-N 3.4Å
187Q51.2Low50.8Low102 Ų102108.5 Ų108.548%0.47760%0.596SS.*THydrogen-bonded Turntrans-91.20.5172.7-69.2174.761.200113.2N183 L184 Q185 L189N183-Q187 WeakPolarHBondContact O-CG 3.38Å; N183-Q187 PolarHBondContact O-N 3.32Å; N183-Q187 PolarHBondContact O-NE2 2.94Å; N183-Q187 PolarHBondContact OD1-NE2 3Å; L184-Q187 PolarHBondContact O-N 3.03Å; Q185-Q187 PolarHBondContact O-N 3.42Å; Q187-L189 VanDerWaalsContact C-N 3.25Å; Q187-L189 HydrophobicContact CB-CD1 4.03Å; Q187-L189 HydrophobicContact CB-CG 4.09Å; Q187-L189 PolarHBondContact O-N 2.9Å
188G52.9Low49.4Very low61 Ų61112.2 Ų112.263%0.62962%0.615SS**THydrogen-bonded Turntrans73.912-179.300000114.5Q185 V190Q185-G188 PolarHBondContact O-N 2.71Å; G188-V190 PolarHBondContact O-N 3.03Å
189L50.9Low48.1Very low61 Ų61115.9 Ų115.932%0.31963%0.632SS.*  trans-8713.9-175.1-62.6174.2000113.6L118 L184 Q187L118-L189 HydrophobicContact CD1-CD2 4.43Å; L118-L189 HydrophobicContact CD2-CD2 4.33Å; L184-L189 PolarHBondContact O-N 3.45Å; Q187-L189 VanDerWaalsContact C-N 3.25Å; Q187-L189 HydrophobicContact CB-CD1 4.03Å; Q187-L189 HydrophobicContact CB-CG 4.09Å; Q187-L189 PolarHBondContact O-N 2.9Å
190V45.8Very low46.5Very low69 Ų69114.5 Ų114.542%0.41864%0.638SS.*SBendtrans-132.3131.5172.9-178.10000107.6Q185 G188 L192Q185-V190 HydrophobicContact CG-CB 4.23Å; Q185-V190 HydrophobicContact CG-CG2 4.26Å; G188-V190 PolarHBondContact O-N 3.03Å; V190-L192 PolarHBondContact O-N 3.21Å
191P37.3Very low45Very low121 Ų121117.1 Ų117.179%0.78665%0.654SS**  trans-60.5131.8-178.3-24.734.4000113.1Q193P191-Q193 PolarHBondContact O-N 3.47Å
192L40.9Very low43.4Very low177 Ų177121.2 Ų121.293%0.92767%0.671SS**  trans-72.4100160.2-74.7172.6000108.7V190V190-L192 PolarHBondContact O-N 3.21Å
193Q34.1Very low42.1Very low183 Ų183125.7 Ų125.786%0.85569%0.689SS**  trans-96.6122.6163.4-163.5173.523.900109P191P191-Q193 PolarHBondContact O-N 3.47Å
194P37.8Very low40.6Very low105 Ų105124 Ų12468%0.68269%0.687SS**  trans-74.5133.2-175.628-33.5000112.8
195T40.9Very low39.5Very low136 Ų136126.5 Ų126.583%0.83472%0.715SS**SBendtrans45.499.1147.856.50000119.5
196A33.8Very low38.3Very low109 Ų109127.9 Ų127.990%0.90172%0.723SS**SBendtrans-161.49.814400000116.4
197A31.1Very low37.4Very low89 Ų89121 Ų12174%0.73671%0.708SS**SBendtrans-146.7-8.8-17400000117.4Q199A197-Q199 PolarHBondContact O-N 3.3Å
198M30.8Very low37Very low152 Ų152121.2 Ų121.275%0.74972%0.718SS**THydrogen-bonded Turntrans-10075.6-175.4-77.5-97.764.100112.2
199Q34Very low36.7Very low198 Ų198121.9 Ų121.993%0.92571%0.713SS**THydrogen-bonded Turntrans-1515.2167.5-132.9173.67.700116.8A197A197-Q199 PolarHBondContact O-N 3.3Å
200S33.4Very low36.2Very low109 Ų109123.3 Ų123.376%0.76272%0.721SS**SBendtrans-124.89.917962.10000115.4
201L31.1Very low36.2Very low124 Ų124125 Ų12565%0.64973%0.727SS**  trans-130.231-179.2-111.6165.8000114Q203 A204L201-Q203 VanDerWaalsContact C-N 3.34Å; L201-A204 HydrophobicContact CD2-CB 3.74Å
202Q33.3Very low36.5Very low182 Ų182124.7 Ų124.785%0.8572%0.716SS**SBendtrans-89.5-0.7164.7-150.880.520.600112.3
203Q34.8Very low36.6Very low190 Ų190123.1 Ų123.189%0.88870%0.703SS**SBendtrans-128.956.8-172.9-70.3-178.4-14.600111.5L201L201-Q203 VanDerWaalsContact C-N 3.34Å
204A31.9Very low36.9Very low51 Ų51119.7 Ų119.742%0.42169%0.69SS.*  trans-143.947.2170.800000111.5L201 M206L201-A204 HydrophobicContact CD2-CB 3.74Å; A204-M206 HydrophobicContact CB-CE 4.4Å; A204-M206 PolarHBondContact O-N 3.16Å
205A33.3Very low37.2Very low99 Ų99121.8 Ų121.882%0.81869%0.685SS**  trans-72.676.1166.500000109
206M31Very low37.1Very low145 Ų145123.8 Ų123.871%0.71468%0.682SS**  trans-65.6133.5175.1-61.4-65.296.400109.2A204A204-M206 HydrophobicContact CB-CE 4.4Å; A204-M206 PolarHBondContact O-N 3.16Å
207C36.2Very low37.3Very low77 Ų77126.2 Ų126.252%0.5267%0.674SS.*  trans-71.3147.9-177.4-93.50000110.8S209 D210C207-S209 PolarHBondContact O-N 2.82Å; C207-D210 PolarHBondContact O-N 3.28Å
208P42.9Very low37.6Very low108 Ų108127.8 Ų127.870%0.70168%0.675SS**Hα-helixtrans-62.6-17.2179.125.5-34.3000113.5
209S45Very low38Very low75 Ų75123.8 Ų123.852%0.52466%0.662SS.*Hα-helixtrans-62.3-44.3176.5-44.80000113.3C207 L211 Q212 Q213C207-S209 PolarHBondContact O-N 2.82Å; S209-L211 VanDerWaalsContact C-N 3.27Å; S209-L211 PolarHBondContact O-N 2.76Å; S209-Q212 PolarHBondContact O-N 2.83Å; S209-Q213 PolarHBondContact O-N 3.29Å
210D42Very low37.7Very low90 Ų90117.6 Ų117.648%0.48165%0.651SS.*Hα-helixtrans-68.1-30.7-169.9-55.2-49.3000111.7C207 Q212 Q213 L214C207-D210 PolarHBondContact O-N 3.28Å; D210-Q212 VanDerWaalsContact C-N 3.31Å; D210-Q212 PolarHBondContact O-N 2.9Å; D210-Q213 PolarHBondContact O-N 3.47Å; D210-L214 PolarHBondContact O-N 3.38Å
211L45.4Very low37.5Very low105 Ų105117.4 Ų117.455%0.5565%0.645SS.*Hα-helixtrans-67.6-28.8175.5-164.572.9000112.7S209S209-L211 VanDerWaalsContact C-N 3.27Å; S209-L211 PolarHBondContact O-N 2.76Å
212Q42.9Very low37.7Very low115 Ų115117.3 Ų117.354%0.53765%0.652SS.*Hα-helixtrans-77.8-31175.2-65.4-171.7-14.100111.9S209 D210 W215 K216S209-Q212 PolarHBondContact O-N 2.83Å; D210-Q212 VanDerWaalsContact C-N 3.31Å; D210-Q212 PolarHBondContact O-N 2.9Å; Q212-W215 PolarHBondContact O-N 3.45Å; Q212-K216 PolarHBondContact O-N 2.9Å
213Q42.7Very low37.4Very low144 Ų144113.9 Ų113.967%0.67365%0.648SS**Hα-helixtrans-70.1-43.4-178.2-163.4147.7-41.800111.8S209 D210 W215 K216 E217S209-Q213 PolarHBondContact O-N 3.29Å; D210-Q213 PolarHBondContact O-N 3.47Å; Q213-W215 VanDerWaalsContact C-N 3.3Å; Q213-W215 PolarHBondContact O-N 3.47Å; Q213-K216 WeakPolarHBondContact O-CB 3.43Å; Q213-K216 PolarHBondContact O-N 2.83Å; Q213-E217 PolarHBondContact O-N 3.18Å
214L41.7Very low37.2Very low110 Ų110109.6 Ų109.658%0.57665%0.645SS**Hα-helixtrans-56.2-39.8171.7-92151.6000113.2D210 K216 E217 V218D210-L214 PolarHBondContact O-N 3.38Å; L214-K216 VanDerWaalsContact C-N 3.28Å; L214-K216 PolarHBondContact O-N 2.93Å; L214-E217 PolarHBondContact O-N 3.46Å; L214-V218 WeakPolarHBondContact O-CG2 3.32Å; L214-V218 PolarHBondContact O-N 3.32Å
215W42.2Very low37Very low150 Ų150115.4 Ų115.457%0.56866%0.664SS**Hα-helixtrans-67.7-27.9176.2-98.289.2000113.4Q212 Q213 S219Q212-W215 PolarHBondContact O-N 3.45Å; Q213-W215 VanDerWaalsContact C-N 3.3Å; Q213-W215 PolarHBondContact O-N 3.47Å; W215-S219 PolarHBondContact O-OG 3.01Å
216K40.2Very low36.7Very low178 Ų178118.6 Ų118.677%0.77467%0.667SS**Hα-helixtrans-76.7-28.4179.1-157.6174.9-174.6-1790112.3Q212 Q213 L214Q212-K216 PolarHBondContact O-N 2.9Å; Q213-K216 WeakPolarHBondContact O-CB 3.43Å; Q213-K216 PolarHBondContact O-N 2.83Å; L214-K216 VanDerWaalsContact C-N 3.28Å; L214-K216 PolarHBondContact O-N 2.93Å
217E37.8Very low36.5Very low159 Ų159116.3 Ų116.374%0.74367%0.671SS**Hα-helixtrans-78.6-33.9179.5-166.1165.7-15700112.8Q213 L214Q213-E217 PolarHBondContact O-N 3.18Å; L214-E217 PolarHBondContact O-N 3.46Å
218V36.3Very low36.1Very low122 Ų122119.4 Ų119.474%0.73968%0.681SS**Hα-helixtrans-76.3-22.3177.71750000113.2L214 G220L214-V218 WeakPolarHBondContact O-CG2 3.32Å; L214-V218 PolarHBondContact O-N 3.32Å; V218-G220 PolarHBondContact O-N 3.02Å; V218-G220 VanDerWaalsContact O-N 3.12Å
219S39.3Very low35.4Very low68 Ų68122.2 Ų122.248%0.47668%0.683SS.*SBendtrans-85.126.9-171.5-550000114.8W215 V221W215-S219 PolarHBondContact O-OG 3.01Å; S219-V221 PolarHBondContact O-N 3.39Å; S219-V221 VanDerWaalsContact O-N 3.17Å
220G29Very low34.5Very low69 Ų69127.8 Ų127.871%0.71170%0.701SS**  trans-70.2106.5-164.900000115.8V218V218-G220 PolarHBondContact O-N 3.02Å; V218-G220 VanDerWaalsContact O-N 3.12Å
221V28.7Very low33.7Very low105 Ų105127.6 Ų127.664%0.63671%0.711SS**  trans-116.4129159-1790000107.9S219 S223S219-V221 PolarHBondContact O-N 3.39Å; S219-V221 VanDerWaalsContact O-N 3.17Å; V221-S223 PolarHBondContact O-N 2.96Å
222P35.7Very low32.8Very low121 Ų121132.4 Ų132.479%0.78673%0.731SS**  trans-69.8123.717928-33.6000110.6
223S26Very low32.1Very low110 Ų110130 Ų13077%0.76974%0.737SS**  trans-81.3139.2163-171.80000109.4V221V221-S223 PolarHBondContact O-N 2.96Å
224A31.1Very low31.4Very low100 Ų100131.7 Ų131.783%0.82675%0.749SS**  trans-14051.2-171.900000111.8
225E27.8Very low30.6Very low174 Ų174132.9 Ų132.981%0.81376%0.756SS**  trans-146.488.7169.657-167.9134.100111.8
226D26Very low30Very low166 Ų166132.2 Ų132.289%0.88876%0.763SS**  trans-15598.9137.5-145.8-25.5000111.3
227A27.9Very low29.3Very low96 Ų96128.6 Ų128.679%0.79376%0.761SS**  trans-161.891.1173.400000111.5
228L27.4Very low28.8Very low142 Ų142126.7 Ų126.774%0.74376%0.76SS**  trans-167.7123.7133.8-154.948.9000115.3
229K28.3Very low28.5Very low168 Ų168127.6 Ų127.673%0.7376%0.761SS**  trans64.3101.3157-68.7162.3-167.4169.60120.6
230Q25.6Very low27.9Very low192 Ų192128.7 Ų128.790%0.89777%0.768SS**  -165.6126.5104.5-96.6149.4103.100107
231A26.4Very low27.9Very low85 Ų85130.3 Ų130.370%0.70277%0.768SS**  90.5111.35600000112
232E26.6Very low27.8Very low206 Ų206132 Ų13296%0.96377%0.774SS**  trans63.3134.7172.6-50.5-174.5141.600116.4
233G27.1Very low27.3Very low64 Ų64130.3 Ų130.366%0.6677%0.765SS**  cis168.7167.9-7.200000111
234L29.3Very low27.3Very low180 Ų180131.5 Ų131.594%0.94277%0.768SS**  trans68.3150.7168.8-49177000115.7
235D24.2Very low27.1Very low135 Ų135131.7 Ų131.772%0.72276%0.763SS**  cis-150.2-178.8-12.6-158.37000111.1
236L29Very low27.1Very low137 Ų137127.8 Ų127.872%0.71776%0.76SS**  trans-29.5148.6167.5-64.1156.2000115.9
237S26.6Very low27.1Very low102 Ų102129.5 Ų129.571%0.71376%0.76SS**  -168.9152.859.8-57.90000115.2
238T27.4Very low28.3Very low118 Ų118130.2 Ų130.272%0.72476%0.757SS**  trans3.8150.5146.464.10000120.3
239N28.2Very low28.3Very low142 Ų142133 Ų13376%0.75976%0.763SS**  cis-166.2170.142.8-149.40.3000116
240S27.1Very low28.2Very low91 Ų91129 Ų12964%0.63676%0.762SS**  trans72.787158.3-57.20000120.3
241S29Very low28.2Very low102 Ų102124.8 Ų124.871%0.71376%0.759SS**  24.6143.4100.6-43.40000118.6
242N27.3Very low28.1Very low140 Ų140126.5 Ų126.575%0.74977%0.766SS**  cis-159.2133.410.1-114-9.1000108.2
243S25.4Very low28Very low87 Ų87120.4 Ų120.461%0.60875%0.751SS**  81.7125.883.7-61.90000116.7
244T25.8Very low28Very low134 Ų134126.3 Ų126.382%0.82276%0.761SS**  trans64153.215354.20000119.9
245S25.8Very low28Very low105 Ų105124.2 Ų124.273%0.73475%0.749SS**  cis-174.5159.1-19.653.70000111.5
246A28.2Very low28.2Very low91 Ų91124 Ų12475%0.75276%0.755SS**  trans73.5124152.200000122.7
247F27.5Very low28.1Very low202 Ų202124.7 Ų124.789%0.88676%0.759SS**  trans-38.5-178.2148.2-60.2-78.4000118
248P52.3Low28Very low111 Ų111128.1 Ų128.172%0.72176%0.763SS**  cis-136.3-161.6-1423.82.5000114.6
249K27.2Very low27.8Very low202 Ų202127.4 Ų127.488%0.87876%0.763SS**  trans91.1152161-67.2-175.5174176.80117.7
250A26.7Very low27.7Very low84 Ų84128.4 Ų128.469%0.69477%0.767SS**  cis-172.9162.5-23.700000111.5
251A24.7Very low28Very low103 Ų103129.7 Ų129.785%0.85177%0.774SS**  trans65163.6163.600000116.8
252S23.7Very low27.9Very low121 Ų121132.6 Ų132.685%0.84678%0.781SS**  cis-144.1177-4.3-157.10000111.4
253A26.3Very low27.8Very low78 Ų78129 Ų12965%0.64578%0.778SS**  trans-71.8163.5-177.300000115
254H27.1Very low27.9Very low188 Ų188133.2 Ų133.287%0.8779%0.788SS**  -165.6143.7114.6-105.3-73.3000112.9
255I29.4Very low27.8Very low135 Ų135133 Ų13369%0.69278%0.782SS**  trans-126.4144.4167.8-70.9174.8000107.4L257I255-L257 HydrophobicContact CG2-CD1 4.47Å
256P28.3Very low28Very low130 Ų130136.5 Ų136.584%0.84479%0.786SS**  trans-119.3142.8137.2-3.824.6000112.2
257L25.6Very low28.4Very low152 Ų152138.6 Ų138.680%0.79679%0.789SS**  trans-103.7147.7174.6-143.186.2000109.2I255I255-L257 HydrophobicContact CG2-CD1 4.47Å
258H25.2Very low28.9Very low175 Ų175134.2 Ų134.281%0.8178%0.781SS**  trans-174.7151.1136.1-118.2-84.7000116.5
259S23.6Very low27.7Very low102 Ų102138.1 Ų138.171%0.71379%0.787SS**  trans64.1111.5149.1-59.30000122.6
260L24.8Very low27.8Very low163 Ų163138.6 Ų138.685%0.85378%0.783SS**  trans-72.4158138.9-85.4165.3000109.5
261P35.1Very low27.8Very low118 Ų118139.4 Ų139.477%0.76678%0.776SS**  -153.5164.360.741.9-21.4000120.2
262N25.3Very low28.1Very low163 Ų163144 Ų14487%0.87277%0.772SS**  trans57.6124.4146.5-167.443.2000121.3
263G26Very low28.4Very low66 Ų66145.3 Ų145.368%0.6877%0.774SS**  trans157.986.6162.500000117.8
264Q27Very low28.8Very low175 Ų175147.1 Ų147.182%0.81877%0.771SS**  trans26.7132155-78.9-177.4-51.300123.5
265N25Very low28.7Very low130 Ų130146.8 Ų146.870%0.69577%0.77SS**  trans77.2165.8144.5-72.7-44.3000120.7
266H29.5Very low29.2Very low178 Ų178147.6 Ų147.682%0.82477%0.771SS**  trans81.1105.1176.5-53.9-76.5000118
267T35.3Very low29.3Very low134 Ų134149 Ų14982%0.82277%0.766SS**  trans-68.9147.9149.655.60000108.6
268P38.1Very low30.1Very low110 Ų110149.5 Ų149.571%0.71477%0.769SS**  -157.7161.380.541.7-22000118.7
269K27.3Very low30.6Very low194 Ų194144.6 Ų144.684%0.84375%0.754SS**  trans49.2138.6138.5-73.4-179176.1175.40123.3
270R30.7Very low31.6Very low211 Ų211144.1 Ų144.180%0.79675%0.751SS**  trans74.8151158.2-64.1-179.387102.222.9116.4
271D25.2Very low33.1Very low102 Ų102141.6 Ų141.655%0.54575%0.747SS.*  cis-141.3131.2-11.4-105.7-30.6000106.7
272R30.9Very low34.7Very low200 Ų200139 Ų13976%0.75572%0.724SS**  68.18983.9-165.2-167.1-174.8-132.70.2115.3
273V30.1Very low37.2Very low148 Ų148136.9 Ų136.990%0.89772%0.719SS**  trans-131.6150144.6-1790000107.5
274I35.8Very low39.6Very low115 Ų115136.3 Ų136.359%0.5970%0.701SS**  trans-105.6141.3-174.5-62.3163.1000109.2E276I274-E276 HydrophobicContact CG2-CG 4.1Å
275H25.5Very low42.2Very low182 Ų182130.3 Ų130.384%0.84367%0.671SS**  trans-135.8131.9138.9-147.5-80.3000108.6
276E39.2Very low44.8Very low151 Ų151125 Ų12571%0.70665%0.646SS**  trans-86.1147.7171.2-61.6-167.5146.500109.3I274I274-E276 HydrophobicContact CG2-CG 4.1Å
277E29.3Very low46.9Very low159 Ų159125.3 Ų125.374%0.74365%0.648SS**  trans-145.4110.8166.4-159.8-176.4107.500109.2S279E277-S279 PolarHBondContact O-N 3.42Å; E277-S279 WeakPolarHBondContact OE1-CB 3.3Å; E277-S279 PolarHBondContact OE1-OG 2.93Å
278L43.6Very low49Very low163 Ų163119.9 Ų119.985%0.85362%0.619SS**  trans-80.762.2176.6-80.277.6000110.4S280L278-S280 VanDerWaalsContact C-N 3.31Å; L278-S280 PolarHBondContact O-N 3.25Å
279S34.4Very low51.2Low72 Ų72118.1 Ų118.150%0.50360%0.601SS.*  trans-81.175.8-178.5-85.30000113.2E277 S281E277-S279 PolarHBondContact O-N 3.42Å; E277-S279 WeakPolarHBondContact OE1-CB 3.3Å; E277-S279 PolarHBondContact OE1-OG 2.93Å; S279-S281 PolarHBondContact O-N 2.79Å
280S45.6Very low54Low92 Ų92109 Ų10964%0.64356%0.562SS**  trans50.553.7138.363.10000119L278 H282 M302L278-S280 VanDerWaalsContact C-N 3.31Å; L278-S280 PolarHBondContact O-N 3.25Å; S280-H282 PolarHBondContact O-N 2.8Å; S280-M302 WeakPolarHBondContact O-CE 3.43Å
281S57.1Low56.3Low110 Ų110103.1 Ų103.177%0.76954%0.542SS*.  trans-82.9102161.6-65.60000111S279S279-S281 PolarHBondContact O-N 2.79Å
282H66.9Low58.9Low65 Ų65102.4 Ų102.430%0.30153%0.532SS..  trans-67.9137175.9-178.7-99.9000110.9S280 L284 Y285 M302 F305S280-H282 PolarHBondContact O-N 2.8Å; H282-L284 PolarHBondContact ND1-N 3.16Å; H282-L284 PolarHBondContact O-N 2.88Å; H282-Y285 PolarHBondContact O-N 3.46Å; H282-Y285 VanDerWaalsContact O-O 3.07Å; H282-M302 HydrophobicContact CB-CE 3.57Å; H282-M302 HydrophobicContact CB-SD 4.06Å; H282-F305 HydrophobicContact CB-CE1 4.23Å; H282-F305 AromaticContact CE1-CE1 3.71Å; H282-F305 AromaticContact CE1-CZ 3.69Å; H282-F305 AromaticContact CG-CE1 3.8Å; H282-F305 AromaticContact ND1-CE1 3.17Å; H282-F305 WeakPolarHBondContact ND1-CE1 3.44Å; H282-F305 AromaticContact ND1-CZ 3.29Å; H282-F305 VanDerWaalsContact ND1-CZ 3.29Å; H282-F305 WeakPolarHBondContact ND1-CZ 3.3Å
283P77.9Confident60.9Low118 Ų11898.3 Ų98.377%0.76653%0.531SS*.THydrogen-bonded Turntrans-60.7-19-171-27.135.9000116.5
284L77.6Confident62.8Low54 Ų5495.4 Ų95.428%0.28353%0.531SS..THydrogen-bonded Turntrans-105.612.8177.8-57.7175.3000113H282 K291 W292 F305H282-L284 PolarHBondContact ND1-N 3.16Å; H282-L284 PolarHBondContact O-N 2.88Å; L284-K291 PolarHBondContact O-N 3.5Å; L284-W292 HydrophobicContact CD1-CE3 3.66Å; L284-W292 HydrophobicContact CD1-CZ3 3.94Å; L284-F305 HydrophobicContact CB-CE2 4.44Å; L284-F305 HydrophobicContact CB-CZ 4.05Å; L284-F305 VanDerWaalsContact O-CE2 3.23Å; L284-F305 WeakPolarHBondContact O-CE2 3.33Å
285Y81.3Confident64.9Low49 Ų4991.1 Ų91.119%0.19251%0.511CS..EExtended strand (participates in β ladder)trans-126.3132.4177.1177.9-104.6000110.4H282 C299 E300 M302 F305H282-Y285 PolarHBondContact O-N 3.46Å; H282-Y285 VanDerWaalsContact O-O 3.07Å; Y285-C299 HydrophobicContact CE2-CB 4.18Å; Y285-C299 WeakPolarHBondContact CE2-O 3.37Å; Y285-C299 PolarHBondContact OH-O 2.91Å; Y285-E300 PolarHBondContact OH-O 2.78Å; Y285-M302 HydrophobicContact CD1-CE 3.34Å; Y285-M302 HydrophobicContact CD1-SD 4.15Å; Y285-M302 HydrophobicContact CE1-CB 4.32Å; Y285-M302 HydrophobicContact CE1-CE 3.98Å; Y285-M302 HydrophobicContact CG-CE 3.87Å; Y285-M302 HydrophobicContact CG-SD 4.24Å; Y285-M302 PolarHBondContact OH-N 2.9Å; Y285-F305 HydrophobicContact CD2-CB 3.43Å; Y285-F305 VanDerWaalsContact CD2-CB 3.43Å; Y285-F305 HydrophobicContact CD2-CD1 4.15Å; Y285-F305 AromaticContact CD2-CD2 3.7Å; Y285-F305 HydrophobicContact CD2-CD2 3.7Å; Y285-F305 AromaticContact CD2-CG 3.45Å; Y285-F305 HydrophobicContact CD2-CG 3.45Å; Y285-F305 VanDerWaalsContact CD2-CG 3.45Å; Y285-F305 HydrophobicContact CE2-CB 3.71Å; Y285-F305 HydrophobicContact CE2-CG 4.25Å; Y285-F305 HydrophobicContact CG-CB 4.26Å; Y285-F305 HydrophobicContact CG-CD1 4.22Å; Y285-F305 HydrophobicContact CG-CD2 4.3Å; Y285-F305 AromaticContact CG-CG 3.97Å; Y285-F305 HydrophobicContact CG-CG 3.97Å
286G78.9Confident67.4Low18 Ų1891.2 Ų91.219%0.18651%0.512CS..EExtended strand (participates in β ladder)trans178.6149.3171.300000110.9G288 E289 K291G286-G288 PolarHBondContact O-N 2.87Å; G286-E289 WeakPolarHBondContact O-CG 3.4Å; G286-E289 PolarHBondContact O-N 2.99Å; G286-K291 VanDerWaalsContact O-CE 3.24Å; G286-K291 WeakPolarHBondContact O-CE 3.35Å
287H74.6Confident69.4Low185 Ų18585.2 Ų85.286%0.85649%0.488SS*.THydrogen-bonded Turntrans60.816.2-172.3-50.6-94.1000115.3E289H287-E289 HydrophobicContact CB-CG 4.43Å
288G79.5Confident71.9Confident20 Ų2084.2 Ų84.221%0.20649%0.487CS..THydrogen-bonded Turntrans79.326.4-179.600000114.1G286 L298 C299G286-G288 PolarHBondContact O-N 2.87Å; G288-L298 WeakPolarHBondContact O-CA 3.46Å; G288-C299 CarbonylContact C-O 3.58Å; G288-C299 VanDerWaalsContact C-O 3.29Å; G288-C299 VanDerWaalsContact CA-O 3.28Å; G288-C299 WeakPolarHBondContact CA-O 3.08Å; G288-C299 CarbonylContact O-C 3.55Å; G288-C299 PolarHBondContact O-N 2.77Å
289E83.8Confident73.8Confident73 Ų7376.6 Ų76.634%0.34145%0.447SS..EExtended strand (participates in β ladder)trans-135.9152.1-179.652.3170.7-146.700111.9G286 H287 K291 L298G286-E289 WeakPolarHBondContact O-CG 3.4Å; G286-E289 PolarHBondContact O-N 2.99Å; H287-E289 HydrophobicContact CB-CG 4.43Å; E289-K291 HydrophobicContact CG-CG 4.43Å; E289-K291 IonicContact OE1-NZ 2.66Å; E289-K291 PolarHBondContact OE1-NZ 2.93Å; E289-L298 HydrophobicContact CB-CD2 4.26Å
290C86.4Confident76.1Confident3 Ų380.8 Ų80.82%0.0246%0.459CS..EExtended strand (participates in β ladder)trans-80.8111.8171.3-176.40000110.6W292 A297 F305 H308C290-W292 PolarHBondContact O-N 3.35Å; C290-A297 HydrophobicContact CB-CB 4.28Å; C290-A297 PolarHBondContact N-O 3.36Å; C290-F305 HydrophobicContact CB-CD2 4.12Å; C290-F305 HydrophobicContact CB-CE2 4.13Å; C290-H308 WeakPolarHBondContact CB-NE2 3.45Å; C290-H308 VanDerWaalsContact SG-CD2 3.55Å; C290-H308 PolarHBondContact SG-NE2 3.47Å
291K79.6Confident77.9Confident87 Ų8780.8 Ų80.838%0.37845%0.452SS..  trans-88.130.8-179.2-60.6-178.2-179-70.60113.1L284 G286 E289L284-K291 PolarHBondContact O-N 3.5Å; G286-K291 VanDerWaalsContact O-CE 3.24Å; G286-K291 WeakPolarHBondContact O-CE 3.35Å; E289-K291 HydrophobicContact CG-CG 4.43Å; E289-K291 IonicContact OE1-NZ 2.66Å; E289-K291 PolarHBondContact OE1-NZ 2.93Å
292W79.3Confident79Confident87 Ų8777.9 Ų77.933%0.3343%0.426SS..SBendtrans-73139.6173.2-170.8-82.6000110.3L284 C290 G294 C295 L309 H313L284-W292 HydrophobicContact CD1-CE3 3.66Å; L284-W292 HydrophobicContact CD1-CZ3 3.94Å; C290-W292 PolarHBondContact O-N 3.35Å; W292-G294 PolarHBondContact O-N 3.22Å; W292-C295 HydrophobicContact CB-CB 3.91Å; W292-C295 PolarHBondContact O-N 2.84Å; W292-L309 HydrophobicContact CE3-CD1 3.84Å; W292-L309 HydrophobicContact CZ3-CD1 4.13Å; W292-H313 WeakPolarHBondContact CB-CD2 3.28Å; W292-H313 VanDerWaalsContact CB-NE2 3.33Å; W292-H313 WeakPolarHBondContact CB-NE2 3.35Å; W292-H313 AromaticContact CD1-CD2 3.93Å; W292-H313 AromaticContact CD1-CE1 4Å; W292-H313 AromaticContact CD1-NE2 3.83Å; W292-H313 HydrophobicContact CD2-CB 4.09Å; W292-H313 AromaticContact CD2-CD2 3.62Å; W292-H313 AromaticContact CD2-CG 3.82Å; W292-H313 HydrophobicContact CE3-CB 4.06Å; W292-H313 AromaticContact CE3-CD2 3.93Å; W292-H313 AromaticContact CG-CD2 3.35Å; W292-H313 AromaticContact CG-CG 3.87Å; W292-H313 AromaticContact CG-NE2 3.53Å; W292-H313 HydrophobicContact CZ3-CB 4.28Å
293P72.4Confident79.9Confident113 Ų11377.5 Ų77.573%0.73444%0.44SS*.THydrogen-bonded Turntrans-59.4110.6-178-25.835.5000113.1
294G69.8Low80.1Confident88 Ų8875.5 Ų75.591%0.90742%0.42SS*.THydrogen-bonded Turntrans87.914.2-177.200000114.9W292W292-G294 PolarHBondContact O-N 3.22Å
295C80.6Confident80.5Confident24 Ų2472.9 Ų72.916%0.16241%0.407CS..  trans-108.4145.6166.8-1690000110.6W292 A297 H308 H313W292-C295 HydrophobicContact CB-CB 3.91Å; W292-C295 PolarHBondContact O-N 2.84Å; C295-A297 VanDerWaalsContact SG-CB 3.51Å; C295-A297 PolarHBondContact SG-N 3.28Å; C295-A297 VanDerWaalsContact SG-N 3.43Å; C295-H308 VanDerWaalsContact SG-CE1 3.57Å; C295-H308 PolarHBondContact SG-NE2 3.5Å; C295-H308 VanDerWaalsContact SG-NE2 3.42Å; C295-H313 WeakPolarHBondContact CB-NE2 3.16Å; C295-H313 PolarHBondContact SG-NE2 3.23Å
296E76.8Confident80.6Confident185 Ų18573.8 Ų73.886%0.86441%0.414SS*.  trans-131.222.9178-62179.4175.900110.7L298E296-L298 PolarHBondContact O-N 2.9Å
297A81.8Confident80.8Confident24 Ų2479.8 Ų79.820%0.19844%0.435CS..  trans-73.2118.4-174.700000112C290 C295 H308C290-A297 HydrophobicContact CB-CB 4.28Å; C290-A297 PolarHBondContact N-O 3.36Å; C295-A297 VanDerWaalsContact SG-CB 3.51Å; C295-A297 PolarHBondContact SG-N 3.28Å; C295-A297 VanDerWaalsContact SG-N 3.43Å; A297-H308 WeakPolarHBondContact CB-CE1 3.47Å
298L82.2Confident81.3Confident139 Ų13971.7 Ų71.773%0.72840%0.398SS*.BIsolated β-bridgetrans-69.9133.6170.7-59.1179.6000110G288 E289 E296G288-L298 WeakPolarHBondContact O-CA 3.46Å; E289-L298 HydrophobicContact CB-CD2 4.26Å; E296-L298 PolarHBondContact O-N 2.9Å
299C82.8Confident81.5Confident3 Ų371.9 Ų71.92%0.0239%0.394CS..  trans-138.898.6-176.5-66.20000107.6Y285 G288 D301 Q304 F305Y285-C299 HydrophobicContact CE2-CB 4.18Å; Y285-C299 WeakPolarHBondContact CE2-O 3.37Å; Y285-C299 PolarHBondContact OH-O 2.91Å; G288-C299 CarbonylContact C-O 3.58Å; G288-C299 VanDerWaalsContact C-O 3.29Å; G288-C299 VanDerWaalsContact CA-O 3.28Å; G288-C299 WeakPolarHBondContact CA-O 3.08Å; G288-C299 CarbonylContact O-C 3.55Å; G288-C299 PolarHBondContact O-N 2.77Å; C299-D301 VanDerWaalsContact C-N 3.29Å; C299-D301 PolarHBondContact O-N 3.08Å; C299-Q304 HydrophobicContact CB-CB 4.48Å; C299-F305 HydrophobicContact CB-CB 3.75Å
300E83.2Confident81.4Confident159 Ų15973.3 Ų73.374%0.74340%0.404SS*.SBendtrans-68-30.6-169.4-53.8174.3142.300112.5Y285Y285-E300 PolarHBondContact OH-O 2.78Å
301D82.4Confident81.2Confident93 Ų9378.5 Ų78.550%0.49743%0.431SS..SBendtrans-118.6156.1173.1-51.9-77000112.3C299 G303 Q304 F305C299-D301 VanDerWaalsContact C-N 3.29Å; C299-D301 PolarHBondContact O-N 3.08Å; D301-G303 PolarHBondContact O-N 2.94Å; D301-Q304 HydrophobicContact CB-CG 4.07Å; D301-Q304 WeakPolarHBondContact O-CA 3.37Å; D301-Q304 WeakPolarHBondContact O-CB 3.46Å; D301-Q304 PolarHBondContact O-N 3.07Å; D301-Q304 PolarHBondContact OD2-NE2 3.32Å; D301-F305 PolarHBondContact O-N 2.85Å
302M80.9Confident81.1Confident48 Ų4880.5 Ų80.524%0.23644%0.442CS..Hα-helixtrans-54.3-36.1166.2179.258.780.700112.2S280 H282 Y285 Q304 F305 I306S280-M302 WeakPolarHBondContact O-CE 3.43Å; H282-M302 HydrophobicContact CB-CE 3.57Å; H282-M302 HydrophobicContact CB-SD 4.06Å; Y285-M302 HydrophobicContact CD1-CE 3.34Å; Y285-M302 HydrophobicContact CD1-SD 4.15Å; Y285-M302 HydrophobicContact CE1-CB 4.32Å; Y285-M302 HydrophobicContact CE1-CE 3.98Å; Y285-M302 HydrophobicContact CG-CE 3.87Å; Y285-M302 HydrophobicContact CG-SD 4.24Å; Y285-M302 PolarHBondContact OH-N 2.9Å; M302-Q304 VanDerWaalsContact C-N 3.34Å; M302-Q304 PolarHBondContact O-N 3.32Å; M302-F305 PolarHBondContact O-N 3.33Å; M302-F305 HydrophobicContact SD-CD1 3.66Å; M302-F305 HydrophobicContact SD-CE1 4.38Å; M302-F305 HydrophobicContact SD-CG 4.5Å; M302-I306 HydrophobicContact CG-CG1 4.38Å; M302-I306 WeakPolarHBondContact O-CG1 3.24Å; M302-I306 PolarHBondContact O-N 3Å; M302-I306 HydrophobicContact SD-CD1 4.28Å; M302-I306 HydrophobicContact SD-CG1 3.99Å
303G84.9Confident80.9Confident57 Ų5777.8 Ų77.859%0.58843%0.433SS*.Hα-helixtrans-65.5-35.717600000113.2D301 K307D301-G303 PolarHBondContact O-N 2.94Å; G303-K307 PolarHBondContact O-N 3.06Å
304Q83.7Confident80.8Confident76 Ų7673.8 Ų73.836%0.35541%0.41SS..Hα-helixtrans-69.8-45.1173.1-59.1-1743600110.4C299 D301 M302 I306 K307 H308C299-Q304 HydrophobicContact CB-CB 4.48Å; D301-Q304 HydrophobicContact CB-CG 4.07Å; D301-Q304 WeakPolarHBondContact O-CA 3.37Å; D301-Q304 WeakPolarHBondContact O-CB 3.46Å; D301-Q304 PolarHBondContact O-N 3.07Å; D301-Q304 PolarHBondContact OD2-NE2 3.32Å; M302-Q304 VanDerWaalsContact C-N 3.34Å; M302-Q304 PolarHBondContact O-N 3.32Å; Q304-I306 PolarHBondContact O-N 3.46Å; Q304-K307 WeakPolarHBondContact O-CB 3.41Å; Q304-K307 PolarHBondContact O-N 3.5Å; Q304-K307 VanDerWaalsContact O-N 3.16Å; Q304-H308 PolarHBondContact O-N 2.97Å
305F85.7Confident80.7Confident0 Ų076.3 Ų76.30%040%0.401CS..Hα-helixtrans-57-48176166.6-94.2000112.8H282 L284 Y285 C290 C299 D301 M302 K307 H308 L309H282-F305 HydrophobicContact CB-CE1 4.23Å; H282-F305 AromaticContact CE1-CE1 3.71Å; H282-F305 AromaticContact CE1-CZ 3.69Å; H282-F305 AromaticContact CG-CE1 3.8Å; H282-F305 AromaticContact ND1-CE1 3.17Å; H282-F305 WeakPolarHBondContact ND1-CE1 3.44Å; H282-F305 AromaticContact ND1-CZ 3.29Å; H282-F305 VanDerWaalsContact ND1-CZ 3.29Å; H282-F305 WeakPolarHBondContact ND1-CZ 3.3Å; L284-F305 HydrophobicContact CB-CE2 4.44Å; L284-F305 HydrophobicContact CB-CZ 4.05Å; L284-F305 VanDerWaalsContact O-CE2 3.23Å; L284-F305 WeakPolarHBondContact O-CE2 3.33Å; Y285-F305 HydrophobicContact CD2-CB 3.43Å; Y285-F305 VanDerWaalsContact CD2-CB 3.43Å; Y285-F305 HydrophobicContact CD2-CD1 4.15Å; Y285-F305 AromaticContact CD2-CD2 3.7Å; Y285-F305 HydrophobicContact CD2-CD2 3.7Å; Y285-F305 AromaticContact CD2-CG 3.45Å; Y285-F305 HydrophobicContact CD2-CG 3.45Å; Y285-F305 VanDerWaalsContact CD2-CG 3.45Å; Y285-F305 HydrophobicContact CE2-CB 3.71Å; Y285-F305 HydrophobicContact CE2-CG 4.25Å; Y285-F305 HydrophobicContact CG-CB 4.26Å; Y285-F305 HydrophobicContact CG-CD1 4.22Å; Y285-F305 HydrophobicContact CG-CD2 4.3Å; Y285-F305 AromaticContact CG-CG 3.97Å; Y285-F305 HydrophobicContact CG-CG 3.97Å; C290-F305 HydrophobicContact CB-CD2 4.12Å; C290-F305 HydrophobicContact CB-CE2 4.13Å; C299-F305 HydrophobicContact CB-CB 3.75Å; D301-F305 PolarHBondContact O-N 2.85Å; M302-F305 PolarHBondContact O-N 3.33Å; M302-F305 HydrophobicContact SD-CD1 3.66Å; M302-F305 HydrophobicContact SD-CE1 4.38Å; M302-F305 HydrophobicContact SD-CG 4.5Å; F305-K307 VanDerWaalsContact C-N 3.27Å; F305-K307 PolarHBondContact O-N 3.44Å; F305-H308 PolarHBondContact O-N 3.14Å; F305-L309 HydrophobicContact CE1-CB 4.47Å; F305-L309 HydrophobicContact CE1-CD2 3.98Å; F305-L309 HydrophobicContact CE2-CD1 4.45Å; F305-L309 HydrophobicContact CZ-CB 4.29Å; F305-L309 HydrophobicContact CZ-CD1 4.03Å; F305-L309 HydrophobicContact CZ-CD2 3.94Å; F305-L309 HydrophobicContact CZ-CG 4.33Å; F305-L309 VanDerWaalsContact O-CB 3.27Å; F305-L309 WeakPolarHBondContact O-CB 3.11Å; F305-L309 PolarHBondContact O-N 3.25Å
306I84Confident80.4Confident67 Ų6779.9 Ų79.934%0.34442%0.419SS..Hα-helixtrans-64.1-34.3179-66.8-65.7000111M302 Q304 N310M302-I306 HydrophobicContact CG-CG1 4.38Å; M302-I306 WeakPolarHBondContact O-CG1 3.24Å; M302-I306 PolarHBondContact O-N 3Å; M302-I306 HydrophobicContact SD-CD1 4.28Å; M302-I306 HydrophobicContact SD-CG1 3.99Å; Q304-I306 PolarHBondContact O-N 3.46Å; I306-N310 PolarHBondContact O-N 2.56Å; I306-N310 VanDerWaalsContact O-N 3.16Å; I306-N310 PolarHBondContact O-ND2 3.38Å
307K83.1Confident80.4Confident145 Ų14578 Ų7863%0.6342%0.415SS*.Hα-helixtrans-69.5-44.2174.8-173-178.9177-172.80112.2G303 Q304 F305 N311G303-K307 PolarHBondContact O-N 3.06Å; Q304-K307 WeakPolarHBondContact O-CB 3.41Å; Q304-K307 PolarHBondContact O-N 3.5Å; Q304-K307 VanDerWaalsContact O-N 3.16Å; F305-K307 VanDerWaalsContact C-N 3.27Å; F305-K307 PolarHBondContact O-N 3.44Å; K307-N311 WeakPolarHBondContact O-CB 3.33Å; K307-N311 PolarHBondContact O-N 3.21Å; K307-N311 PolarHBondContact O-ND2 2.91Å
308H85.3Confident80Confident14 Ų1486.3 Ų86.37%0.06544%0.441CS..Hα-helixtrans-59.4-50.7173.7161.373.8000111.1C290 C295 A297 Q304 F305 N310 N311 E312 H313C290-H308 WeakPolarHBondContact CB-NE2 3.45Å; C290-H308 VanDerWaalsContact SG-CD2 3.55Å; C290-H308 PolarHBondContact SG-NE2 3.47Å; C295-H308 VanDerWaalsContact SG-CE1 3.57Å; C295-H308 PolarHBondContact SG-NE2 3.5Å; C295-H308 VanDerWaalsContact SG-NE2 3.42Å; A297-H308 WeakPolarHBondContact CB-CE1 3.47Å; Q304-H308 PolarHBondContact O-N 2.97Å; F305-H308 PolarHBondContact O-N 3.14Å; H308-N310 VanDerWaalsContact C-N 3.33Å; H308-N310 PolarHBondContact O-N 3.34Å; H308-N311 PolarHBondContact O-N 3.13Å; H308-E312 VanDerWaalsContact CE1-CD 3.43Å; H308-E312 IonicContact CE1-OE1 2.78Å; H308-E312 IonicContact CE1-OE2 3.87Å; H308-E312 PolarHBondContact CE1-OE2 3.31Å; H308-E312 VanDerWaalsContact CE1-OE2 3.28Å; H308-E312 IonicContact CG-OE1 3.08Å; H308-E312 IonicContact ND1-OE1 3.71Å; H308-E312 PolarHBondContact ND1-OE1 2.98Å; H308-E312 IonicContact ND1-OE2 2.56Å; H308-E312 PolarHBondContact ND1-OE2 2.88Å; H308-E312 PolarHBondContact O-N 3.4Å; H308-H313 AromaticContact CE1-NE2 3.96Å; H308-H313 AromaticContact NE2-CD2 3.77Å; H308-H313 AromaticContact NE2-NE2 3.4Å; H308-H313 PolarHBondContact NE2-NE2 3.33Å
309L83.4Confident79.9Confident24 Ų2481.1 Ų81.113%0.12642%0.416CS..Hα-helixtrans-55.3-44.8179.6-172.976.1000112.1W292 F305 N311 H313 A314W292-L309 HydrophobicContact CE3-CD1 3.84Å; W292-L309 HydrophobicContact CZ3-CD1 4.13Å; F305-L309 HydrophobicContact CE1-CB 4.47Å; F305-L309 HydrophobicContact CE1-CD2 3.98Å; F305-L309 HydrophobicContact CE2-CD1 4.45Å; F305-L309 HydrophobicContact CZ-CB 4.29Å; F305-L309 HydrophobicContact CZ-CD1 4.03Å; F305-L309 HydrophobicContact CZ-CD2 3.94Å; F305-L309 HydrophobicContact CZ-CG 4.33Å; F305-L309 VanDerWaalsContact O-CB 3.27Å; F305-L309 WeakPolarHBondContact O-CB 3.11Å; F305-L309 PolarHBondContact O-N 3.25Å; L309-N311 VanDerWaalsContact C-N 3.33Å; L309-N311 PolarHBondContact O-N 2.89Å; L309-H313 HydrophobicContact CD1-CB 4.04Å; L309-H313 CarbonylContact O-C 3.57Å; L309-H313 VanDerWaalsContact O-CA 3.28Å; L309-H313 WeakPolarHBondContact O-CA 3.38Å; L309-H313 WeakPolarHBondContact O-CB 3.4Å; L309-H313 PolarHBondContact O-N 2.86Å; L309-H313 VanDerWaalsContact O-N 3.09Å; L309-A314 PolarHBondContact O-N 3.45Å
310N81.9Confident79.8Confident103 Ų10383 Ų8355%0.55143%0.428SS*.Hα-helixtrans-73.8-20.3179.3-76-70.6000114.1I306 H308I306-N310 PolarHBondContact O-N 2.56Å; I306-N310 VanDerWaalsContact O-N 3.16Å; I306-N310 PolarHBondContact O-ND2 3.38Å; H308-N310 VanDerWaalsContact C-N 3.33Å; H308-N310 PolarHBondContact O-N 3.34Å
311N81.8Confident79.7Confident112 Ų11277.8 Ų77.860%0.59941%0.412SS*.Hα-helixtrans-98.1-39.6-176.9-71.5-8.6000113.4K307 H308 L309K307-N311 WeakPolarHBondContact O-CB 3.33Å; K307-N311 PolarHBondContact O-N 3.21Å; K307-N311 PolarHBondContact O-ND2 2.91Å; H308-N311 PolarHBondContact O-N 3.13Å; L309-N311 VanDerWaalsContact C-N 3.33Å; L309-N311 PolarHBondContact O-N 2.89Å
312E76.4Confident79.4Confident129 Ų12979 Ų7960%0.60342%0.415SS*.Hα-helixtrans-107.4-19.2-174.2-68.7173.3-11600112.8H308H308-E312 VanDerWaalsContact CE1-CD 3.43Å; H308-E312 IonicContact CE1-OE1 2.78Å; H308-E312 IonicContact CE1-OE2 3.87Å; H308-E312 PolarHBondContact CE1-OE2 3.31Å; H308-E312 VanDerWaalsContact CE1-OE2 3.28Å; H308-E312 IonicContact CG-OE1 3.08Å; H308-E312 IonicContact ND1-OE1 3.71Å; H308-E312 PolarHBondContact ND1-OE1 2.98Å; H308-E312 IonicContact ND1-OE2 2.56Å; H308-E312 PolarHBondContact ND1-OE2 2.88Å; H308-E312 PolarHBondContact O-N 3.4Å
313H75.9Confident79.5Confident31 Ų3180.6 Ų80.614%0.14443%0.429CS..SBendtrans-123.938.7176.4-57.1-20.4000111.1W292 C295 H308 L309W292-H313 WeakPolarHBondContact CB-CD2 3.28Å; W292-H313 VanDerWaalsContact CB-NE2 3.33Å; W292-H313 WeakPolarHBondContact CB-NE2 3.35Å; W292-H313 AromaticContact CD1-CD2 3.93Å; W292-H313 AromaticContact CD1-CE1 4Å; W292-H313 AromaticContact CD1-NE2 3.83Å; W292-H313 HydrophobicContact CD2-CB 4.09Å; W292-H313 AromaticContact CD2-CD2 3.62Å; W292-H313 AromaticContact CD2-CG 3.82Å; W292-H313 HydrophobicContact CE3-CB 4.06Å; W292-H313 AromaticContact CE3-CD2 3.93Å; W292-H313 AromaticContact CG-CD2 3.35Å; W292-H313 AromaticContact CG-CG 3.87Å; W292-H313 AromaticContact CG-NE2 3.53Å; W292-H313 HydrophobicContact CZ3-CB 4.28Å; C295-H313 WeakPolarHBondContact CB-NE2 3.16Å; C295-H313 PolarHBondContact SG-NE2 3.23Å; H308-H313 AromaticContact CE1-NE2 3.96Å; H308-H313 AromaticContact NE2-CD2 3.77Å; H308-H313 AromaticContact NE2-NE2 3.4Å; H308-H313 PolarHBondContact NE2-NE2 3.33Å; L309-H313 HydrophobicContact CD1-CB 4.04Å; L309-H313 CarbonylContact O-C 3.57Å; L309-H313 VanDerWaalsContact O-CA 3.28Å; L309-H313 WeakPolarHBondContact O-CA 3.38Å; L309-H313 WeakPolarHBondContact O-CB 3.4Å; L309-H313 PolarHBondContact O-N 2.86Å; L309-H313 VanDerWaalsContact O-N 3.09Å
314A69.6Low79.7Confident29 Ų2985.6 Ų85.624%0.2443%0.43CS..  trans-51.3146.7176.600000112.1L309 D316 S319L309-A314 PolarHBondContact O-N 3.45Å; A314-D316 WeakPolarHBondContact CB-OD1 3.41Å; A314-D316 PolarHBondContact O-N 3.27Å; A314-S319 PolarHBondContact O-OG 2.89Å
315L68.6Low80.1Confident141 Ų14185.9 Ų85.974%0.73844%0.437SS*.  trans-7834.6-179-65175.2000112.8T320L315-T320 PolarHBondContact O-OG1 3.48Å
316D73.6Confident80Confident99 Ų9991.8 Ų91.853%0.52947%0.465SS..  trans-44.6153.2177-61.2-17.3000112.4A314 R318 S319 T320A314-D316 WeakPolarHBondContact CB-OD1 3.41Å; A314-D316 PolarHBondContact O-N 3.27Å; D316-R318 HydrophobicContact CB-CB 4.49Å; D316-R318 PolarHBondContact O-N 3.48Å; D316-S319 PolarHBondContact N-OG 3.46Å; D316-S319 PolarHBondContact O-N 3.44Å; D316-S319 PolarHBondContact O-OG 3.47Å; D316-S319 VanDerWaalsContact O-OG 3.06Å; D316-T320 WeakPolarHBondContact O-CB 3.37Å; D316-T320 PolarHBondContact O-N 3.04Å; D316-T320 PolarHBondContact O-OG1 2.74Å
317D77.4Confident80.3Confident146 Ų14694.6 Ų94.678%0.78148%0.478SS*.Hα-helixtrans-52.8-28.2173.2-69.1-56.1000112.6A321D317-A321 WeakPolarHBondContact O-CB 3.2Å; D317-A321 PolarHBondContact O-N 2.96Å
318R74.2Confident80.7Confident198 Ų19893.9 Ų93.975%0.74748%0.477SS*.Hα-helixtrans-69.8-47.2175.4-163.2-179.9-165.8-176.34.7113.3D316 A321 Q322D316-R318 HydrophobicContact CB-CB 4.49Å; D316-R318 PolarHBondContact O-N 3.48Å; R318-A321 PolarHBondContact O-N 2.89Å; R318-Q322 WeakPolarHBondContact O-CG 3.42Å; R318-Q322 PolarHBondContact O-N 3.46Å
319S78.4Confident81.1Confident30 Ų3096.6 Ų96.621%0.2149%0.494CS..Hα-helixtrans-72.5-38.3178.561.80000110.4A314 D316 Q322 C323A314-S319 PolarHBondContact O-OG 2.89Å; D316-S319 PolarHBondContact N-OG 3.46Å; D316-S319 PolarHBondContact O-N 3.44Å; D316-S319 PolarHBondContact O-OG 3.47Å; D316-S319 VanDerWaalsContact O-OG 3.06Å; S319-Q322 PolarHBondContact O-N 2.89Å; S319-C323 WeakPolarHBondContact O-CB 3.47Å; S319-C323 PolarHBondContact O-N 3.16Å
320T82.1Confident81.6Confident43 Ų4399.1 Ų99.126%0.26451%0.511SS..Hα-helixtrans-59.2-44.8170.3-69.90000112.3L315 D316 C323 R324L315-T320 PolarHBondContact O-OG1 3.48Å; D316-T320 WeakPolarHBondContact O-CB 3.37Å; D316-T320 PolarHBondContact O-N 3.04Å; D316-T320 PolarHBondContact O-OG1 2.74Å; T320-C323 PolarHBondContact O-N 2.89Å; T320-R324 WeakPolarHBondContact O-CG 3.49Å; T320-R324 PolarHBondContact O-N 2.86Å; T320-R324 VanDerWaalsContact O-N 3.13Å
321A80.3Confident82.1Confident48 Ų4899.8 Ų99.840%0.39751%0.511SS..Hα-helixtrans-66.1-42.5175.800000112.2D317 R318 C323 R324 V325D317-A321 WeakPolarHBondContact O-CB 3.2Å; D317-A321 PolarHBondContact O-N 2.96Å; R318-A321 PolarHBondContact O-N 2.89Å; A321-C323 VanDerWaalsContact C-N 3.33Å; A321-C323 PolarHBondContact O-N 3.1Å; A321-R324 PolarHBondContact O-N 2.99Å; A321-V325 WeakPolarHBondContact O-CG2 3.5Å; A321-V325 PolarHBondContact O-N 3.4Å
322Q77.3Confident82.5Confident120 Ų12099.8 Ų99.856%0.56151%0.507SS*.Hα-helixtrans-60.4-41.8174.9-76.3178.2-4.900112R318 S319 R324 V325 Q326R318-Q322 WeakPolarHBondContact O-CG 3.42Å; R318-Q322 PolarHBondContact O-N 3.46Å; S319-Q322 PolarHBondContact O-N 2.89Å; Q322-R324 PolarHBondContact O-N 3.38Å; Q322-V325 PolarHBondContact O-N 3.27Å; Q322-Q326 WeakPolarHBondContact O-CG 3.27Å; Q322-Q326 PolarHBondContact O-N 3.42Å
323C83.1Confident83.4Confident81 Ų8198.6 Ų98.655%0.54750%0.504SS..Hα-helixtrans-58.6-45.7174.5-176.60000111.9S319 T320 A321 V325 Q326 M327S319-C323 WeakPolarHBondContact O-CB 3.47Å; S319-C323 PolarHBondContact O-N 3.16Å; T320-C323 PolarHBondContact O-N 2.89Å; A321-C323 VanDerWaalsContact C-N 3.33Å; A321-C323 PolarHBondContact O-N 3.1Å; C323-V325 PolarHBondContact O-N 2.84Å; C323-Q326 PolarHBondContact O-N 3.29Å; C323-M327 WeakPolarHBondContact O-CB 3.5Å; C323-M327 PolarHBondContact O-N 3.49Å
324R87.9Confident84.3Confident161 Ų161102.3 Ų102.361%0.60852%0.522SS*.Hα-helixtrans-62-42176.4-67.4170.9-167.9-85.91.3112.3T320 A321 Q322 M327 Q328T320-R324 WeakPolarHBondContact O-CG 3.49Å; T320-R324 PolarHBondContact O-N 2.86Å; T320-R324 VanDerWaalsContact O-N 3.13Å; A321-R324 PolarHBondContact O-N 2.99Å; Q322-R324 PolarHBondContact O-N 3.38Å; R324-M327 PolarHBondContact O-N 2.82Å; R324-Q328 PolarHBondContact O-N 3.12Å
325V91.8Very high85.5Confident83 Ų83104.4 Ų104.450%0.50353%0.528SS..Hα-helixtrans-64.8-43.9176171.70000111.3A321 Q322 C323 M327 Q328 V329A321-V325 WeakPolarHBondContact O-CG2 3.5Å; A321-V325 PolarHBondContact O-N 3.4Å; Q322-V325 PolarHBondContact O-N 3.27Å; C323-V325 PolarHBondContact O-N 2.84Å; V325-M327 VanDerWaalsContact C-N 3.33Å; V325-M327 PolarHBondContact O-N 3.23Å; V325-Q328 PolarHBondContact O-N 2.85Å; V325-V329 WeakPolarHBondContact O-CG2 3.17Å; V325-V329 PolarHBondContact O-N 3.1Å
326Q84.2Confident86.5Confident124 Ų124102 Ų10258%0.57951%0.513SS*.Hα-helixtrans-61.7-41.4175.7-70.3-67.7-3.600111.6Q322 C323 Q328 V329 V330Q322-Q326 WeakPolarHBondContact O-CG 3.27Å; Q322-Q326 PolarHBondContact O-N 3.42Å; C323-Q326 PolarHBondContact O-N 3.29Å; Q326-Q328 PolarHBondContact O-N 3.2Å; Q326-V329 PolarHBondContact O-N 2.99Å; Q326-V330 WeakPolarHBondContact O-CG2 3.41Å; Q326-V330 PolarHBondContact O-N 3.47Å
327M89.7Confident87.6Confident126 Ų126103.2 Ų103.262%0.62152%0.519SS*.Hα-helixtrans-64-37.7176.3-173.3161.85600112.5C323 R324 V325 V330 Q331C323-M327 WeakPolarHBondContact O-CB 3.5Å; C323-M327 PolarHBondContact O-N 3.49Å; R324-M327 PolarHBondContact O-N 2.82Å; V325-M327 VanDerWaalsContact C-N 3.33Å; V325-M327 PolarHBondContact O-N 3.23Å; M327-V330 PolarHBondContact O-N 2.99Å; M327-Q331 WeakPolarHBondContact O-CB 3.34Å; M327-Q331 PolarHBondContact O-N 3.09Å
328Q91.6Very high88.4Confident130 Ų13099.1 Ų99.161%0.60751%0.505SS*.Hα-helixtrans-65-39.9171.2-75-178.8-26.300112.6R324 V325 Q326 Q331 Q332R324-Q328 PolarHBondContact O-N 3.12Å; V325-Q328 PolarHBondContact O-N 2.85Å; Q326-Q328 PolarHBondContact O-N 3.2Å; Q328-Q331 PolarHBondContact O-N 3.47Å; Q328-Q332 WeakPolarHBondContact O-CB 3.29Å; Q328-Q332 PolarHBondContact O-N 3.02Å
329V93.4Very high89.4Confident71 Ų7195.8 Ų95.843%0.4350%0.496SS..Hα-helixtrans-63.7-43.2175.5170.60000111.1V325 Q326 Q332 L333V325-V329 WeakPolarHBondContact O-CG2 3.17Å; V325-V329 PolarHBondContact O-N 3.1Å; Q326-V329 PolarHBondContact O-N 2.99Å; V329-Q332 PolarHBondContact O-N 2.98Å; V329-L333 HydrophobicContact CG1-CD1 4.19Å; V329-L333 WeakPolarHBondContact O-CG 3.46Å; V329-L333 PolarHBondContact O-N 3.2Å
330V94.4Very high90Very high77 Ų7798.9 Ų98.947%0.46751%0.507SS..Hα-helixtrans-61.8-48.9174.81720000110.9Q326 M327 Q332 L333 E334Q326-V330 WeakPolarHBondContact O-CG2 3.41Å; Q326-V330 PolarHBondContact O-N 3.47Å; M327-V330 PolarHBondContact O-N 2.99Å; V330-Q332 VanDerWaalsContact C-N 3.29Å; V330-Q332 PolarHBondContact O-N 3.04Å; V330-L333 WeakPolarHBondContact O-CB 3.38Å; V330-L333 PolarHBondContact O-N 3.33Å; V330-E334 HydrophobicContact CG1-CG 4.49Å; V330-E334 PolarHBondContact O-N 3.25Å
331Q93.5Very high90.5Very high117 Ų117100.3 Ų100.355%0.54752%0.519SS..Hα-helixtrans-58.5-40.4177.9-175176.351.100112.2M327 Q328 E334 I335M327-Q331 WeakPolarHBondContact O-CB 3.34Å; M327-Q331 PolarHBondContact O-N 3.09Å; Q328-Q331 PolarHBondContact O-N 3.47Å; Q331-E334 PolarHBondContact O-N 3.38Å; Q331-I335 HydrophobicContact CG-CD1 4.19Å; Q331-I335 VanDerWaalsContact O-CG1 3.3Å; Q331-I335 WeakPolarHBondContact O-CG1 3.33Å; Q331-I335 PolarHBondContact O-N 3.29Å
332Q90.4Very high91.3Very high112 Ų112104.6 Ų104.652%0.52353%0.531SS..Hα-helixtrans-65.8-37.2176-178.361.718.600112.3Q328 V329 V330 I335 Q336Q328-Q332 WeakPolarHBondContact O-CB 3.29Å; Q328-Q332 PolarHBondContact O-N 3.02Å; V329-Q332 PolarHBondContact O-N 2.98Å; V330-Q332 VanDerWaalsContact C-N 3.29Å; V330-Q332 PolarHBondContact O-N 3.04Å; Q332-I335 PolarHBondContact O-N 3.46Å; Q332-Q336 WeakPolarHBondContact O-CB 3.45Å; Q332-Q336 PolarHBondContact O-N 3.45Å
333L94.8Very high91.9Very high104 Ų104105.1 Ų105.155%0.54553%0.528SS..Hα-helixtrans-68.1-37.7173.8-71169000112V329 V330 Q336 L337V329-L333 HydrophobicContact CG1-CD1 4.19Å; V329-L333 WeakPolarHBondContact O-CG 3.46Å; V329-L333 PolarHBondContact O-N 3.2Å; V330-L333 WeakPolarHBondContact O-CB 3.38Å; V330-L333 PolarHBondContact O-N 3.33Å; L333-Q336 PolarHBondContact O-N 3.08Å; L333-L337 WeakPolarHBondContact O-CB 3.35Å; L333-L337 PolarHBondContact O-N 3.14Å
334E95.3Very high92.3Very high109 Ų109105.9 Ų105.951%0.50953%0.525SS..Hα-helixtrans-64.5-43173.7-69.9-173.1133.900111.8V330 Q331 Q336 L337 A338V330-E334 HydrophobicContact CG1-CG 4.49Å; V330-E334 PolarHBondContact O-N 3.25Å; Q331-E334 PolarHBondContact O-N 3.38Å; E334-Q336 VanDerWaalsContact C-N 3.31Å; E334-Q336 PolarHBondContact O-N 3.4Å; E334-L337 PolarHBondContact O-N 3.5Å; E334-A338 WeakPolarHBondContact O-CB 3.3Å; E334-A338 PolarHBondContact O-N 2.77Å
335I94Very high92.7Very high72 Ų72103.6 Ų103.637%0.36952%0.522SS..Hα-helixtrans-61.1-40.2173.7-69.5164.3000111.1Q331 Q332 K339Q331-I335 HydrophobicContact CG-CD1 4.19Å; Q331-I335 VanDerWaalsContact O-CG1 3.3Å; Q331-I335 WeakPolarHBondContact O-CG1 3.33Å; Q331-I335 PolarHBondContact O-N 3.29Å; Q332-I335 PolarHBondContact O-N 3.46Å; I335-K339 HydrophobicContact CG2-CD 4.42Å; I335-K339 WeakPolarHBondContact O-CG 3.4Å; I335-K339 PolarHBondContact O-N 2.79Å; I335-K339 VanDerWaalsContact O-N 3.14Å
336Q89.9Confident92.7Very high90 Ų90102.3 Ų102.342%0.42152%0.52SS..Hα-helixtrans-70.6-38.4177.6-174.2166.3-14.600112.3Q332 L333 E334 K339 E340Q332-Q336 WeakPolarHBondContact O-CB 3.45Å; Q332-Q336 PolarHBondContact O-N 3.45Å; L333-Q336 PolarHBondContact O-N 3.08Å; E334-Q336 VanDerWaalsContact C-N 3.31Å; E334-Q336 PolarHBondContact O-N 3.4Å; Q336-K339 PolarHBondContact O-N 3.16Å; Q336-E340 PolarHBondContact O-N 3Å
337L95.9Very high93.1Very high125 Ų125101.5 Ų101.565%0.65452%0.517SS*.Hα-helixtrans-63.9-40.8173.6-178.663000111.5L333 E334 E340 S341L333-L337 WeakPolarHBondContact O-CB 3.35Å; L333-L337 PolarHBondContact O-N 3.14Å; E334-L337 PolarHBondContact O-N 3.5Å; L337-E340 PolarHBondContact O-N 3.22Å; L337-S341 VanDerWaalsContact O-CB 3.25Å; L337-S341 WeakPolarHBondContact O-CB 3.17Å; L337-S341 PolarHBondContact O-N 2.93Å
338A94.7Very high93.1Very high60 Ų6099.6 Ų99.650%0.49651%0.508SS..Hα-helixtrans-60.7-44.6175.200000111.8E334 S341 E342E334-A338 WeakPolarHBondContact O-CB 3.3Å; E334-A338 PolarHBondContact O-N 2.77Å; A338-S341 WeakPolarHBondContact O-CB 3.28Å; A338-S341 PolarHBondContact O-N 2.93Å; A338-E342 PolarHBondContact O-N 3.49Å
339K94.1Very high92.8Very high129 Ų12996.4 Ų96.456%0.56150%0.497SS*.Hα-helixtrans-64.8-42.7177.7-73.1173.6179.5179.30113.3I335 Q336 S341 E342 R343I335-K339 HydrophobicContact CG2-CD 4.42Å; I335-K339 WeakPolarHBondContact O-CG 3.4Å; I335-K339 PolarHBondContact O-N 2.79Å; I335-K339 VanDerWaalsContact O-N 3.14Å; Q336-K339 PolarHBondContact O-N 3.16Å; K339-S341 VanDerWaalsContact C-N 3.32Å; K339-E342 PolarHBondContact O-N 2.96Å; K339-R343 VanDerWaalsContact O-CB 3.31Å; K339-R343 WeakPolarHBondContact O-CB 3.43Å; K339-R343 PolarHBondContact O-N 2.94Å
340E92.2Very high92.3Very high95 Ų9599.8 Ų99.844%0.44451%0.508SS..Hα-helixtrans-71.6-28.3175.3-74.3-67.7118.900112.1Q336 L337 R343 L344Q336-E340 PolarHBondContact O-N 3Å; L337-E340 PolarHBondContact O-N 3.22Å; E340-R343 VanDerWaalsContact CD-NH1 3.34Å; E340-R343 WeakPolarHBondContact OE1-CD 3.09Å; E340-R343 IonicContact OE1-CZ 2.66Å; E340-R343 IonicContact OE1-NE 2.64Å; E340-R343 IonicContact OE1-NH1 2.75Å; E340-R343 PolarHBondContact OE1-NH1 2.93Å; E340-R343 IonicContact OE2-NH1 3.97Å; E340-R343 PolarHBondContact OE2-NH1 3.4Å; E340-R343 VanDerWaalsContact OE2-NH1 3.08Å; E340-L344 VanDerWaalsContact O-CB 3.31Å; E340-L344 WeakPolarHBondContact O-CB 3.13Å; E340-L344 PolarHBondContact O-N 2.58Å
341S92.8Very high91.8Very high72 Ų72102.4 Ų102.450%0.50352%0.519SS..Hα-helixtrans-66.8-45.5170.5-169.20000111.9L337 A338 K339 R343 L344 Q345L337-S341 VanDerWaalsContact O-CB 3.25Å; L337-S341 WeakPolarHBondContact O-CB 3.17Å; L337-S341 PolarHBondContact O-N 2.93Å; A338-S341 WeakPolarHBondContact O-CB 3.28Å; A338-S341 PolarHBondContact O-N 2.93Å; K339-S341 VanDerWaalsContact C-N 3.32Å; S341-R343 VanDerWaalsContact C-N 3.35Å; S341-R343 PolarHBondContact O-N 3.23Å; S341-L344 PolarHBondContact O-N 2.93Å; S341-Q345 WeakPolarHBondContact O-CB 3.41Å; S341-Q345 PolarHBondContact O-N 2.98Å
342E96Very high91Very high139 Ų139103.4 Ų103.465%0.6552%0.523SS*.Hα-helixtrans-59-45.9173.2-175.5-170.9175.100111.2A338 K339 L344 Q345 A346A338-E342 PolarHBondContact O-N 3.49Å; K339-E342 PolarHBondContact O-N 2.96Å; E342-L344 PolarHBondContact O-N 3Å; E342-Q345 PolarHBondContact O-N 3.28Å; E342-A346 WeakPolarHBondContact O-CB 3.24Å; E342-A346 PolarHBondContact O-N 3.22Å
343R90.4Very high90Very high131 Ų131104.2 Ų104.249%0.49453%0.529SS..Hα-helixtrans-61.2-41.7176.4-175.4-173.6-178-166.90.1112.5K339 E340 S341 A346 M347K339-R343 VanDerWaalsContact O-CB 3.31Å; K339-R343 WeakPolarHBondContact O-CB 3.43Å; K339-R343 PolarHBondContact O-N 2.94Å; E340-R343 VanDerWaalsContact CD-NH1 3.34Å; E340-R343 WeakPolarHBondContact OE1-CD 3.09Å; E340-R343 IonicContact OE1-CZ 2.66Å; E340-R343 IonicContact OE1-NE 2.64Å; E340-R343 IonicContact OE1-NH1 2.75Å; E340-R343 PolarHBondContact OE1-NH1 2.93Å; E340-R343 IonicContact OE2-NH1 3.97Å; E340-R343 PolarHBondContact OE2-NH1 3.4Å; E340-R343 VanDerWaalsContact OE2-NH1 3.08Å; S341-R343 VanDerWaalsContact C-N 3.35Å; S341-R343 PolarHBondContact O-N 3.23Å; R343-A346 PolarHBondContact O-N 3.3Å; R343-M347 WeakPolarHBondContact O-CB 3.23Å; R343-M347 PolarHBondContact O-N 3.46Å
344L92.6Very high88.4Confident96 Ų96110.3 Ų110.350%0.50354%0.544SS..Hα-helixtrans-66.1-42.8174.6178.960.4000111E340 S341 E342 A346 M347 M348E340-L344 VanDerWaalsContact O-CB 3.31Å; E340-L344 WeakPolarHBondContact O-CB 3.13Å; E340-L344 PolarHBondContact O-N 2.58Å; S341-L344 PolarHBondContact O-N 2.93Å; E342-L344 PolarHBondContact O-N 3Å; L344-A346 VanDerWaalsContact C-N 3.35Å; L344-A346 PolarHBondContact O-N 3.44Å; L344-M347 WeakPolarHBondContact O-CB 3.43Å; L344-M347 PolarHBondContact O-N 3.03Å; L344-M348 HydrophobicContact CD1-CG 4.48Å; L344-M348 HydrophobicContact CG-SD 4.36Å; L344-M348 WeakPolarHBondContact O-CG 3.28Å; L344-M348 PolarHBondContact O-N 3.25Å
345Q95.2Very high86.6Confident113 Ų113111.2 Ų111.253%0.52856%0.56SS.*Hα-helixtrans-62.3-41.3176-175.361.422.800111.5S341 E342 M348 T349S341-Q345 WeakPolarHBondContact O-CB 3.41Å; S341-Q345 PolarHBondContact O-N 2.98Å; E342-Q345 PolarHBondContact O-N 3.28Å; Q345-M348 PolarHBondContact O-N 2.73Å; Q345-T349 WeakPolarHBondContact O-CG2 3.25Å; Q345-T349 PolarHBondContact O-N 2.81Å; Q345-T349 PolarHBondContact O-OG1 3.07Å
346A91.4Very high84.5Confident56 Ų56113.2 Ų113.246%0.46358%0.58SS.*Hα-helixtrans-65.2-36.2174.300000112.6E342 R343 L344 T349 H350E342-A346 WeakPolarHBondContact O-CB 3.24Å; E342-A346 PolarHBondContact O-N 3.22Å; R343-A346 PolarHBondContact O-N 3.3Å; L344-A346 VanDerWaalsContact C-N 3.35Å; L344-A346 PolarHBondContact O-N 3.44Å; A346-T349 WeakPolarHBondContact CA-OG1 3.31Å; A346-T349 PolarHBondContact O-OG1 3.36Å; A346-T349 VanDerWaalsContact O-OG1 3.1Å; A346-H350 WeakPolarHBondContact O-CB 3.48Å; A346-H350 PolarHBondContact O-N 3.05Å
347M92.7Very high82.3Confident108 Ų108117.7 Ų117.753%0.53260%0.601SS.*Hα-helixtrans-65.9-42.2171.8-168.9-173.3-55.800111.2R343 L344 H350 L351R343-M347 WeakPolarHBondContact O-CB 3.23Å; R343-M347 PolarHBondContact O-N 3.46Å; L344-M347 WeakPolarHBondContact O-CB 3.43Å; L344-M347 PolarHBondContact O-N 3.03Å; M347-H350 PolarHBondContact O-N 3.42Å; M347-L351 WeakPolarHBondContact O-CG 3.43Å; M347-L351 PolarHBondContact O-N 3.46Å
348M89.6Confident79.7Confident86 Ų86117.5 Ų117.542%0.42461%0.607SS.*Hα-helixtrans-67.1-41.1176.4-72.1-178.967.500112.3L344 Q345 L351 H352L344-M348 HydrophobicContact CD1-CG 4.48Å; L344-M348 HydrophobicContact CG-SD 4.36Å; L344-M348 WeakPolarHBondContact O-CG 3.28Å; L344-M348 PolarHBondContact O-N 3.25Å; Q345-M348 PolarHBondContact O-N 2.73Å; M348-L351 PolarHBondContact O-N 2.99Å; M348-H352 PolarHBondContact O-N 3.34Å; M348-H352 PolarHBondContact O-ND1 3.17Å
349T85.5Confident77Confident62 Ų62124 Ų12438%0.3862%0.624SS.*Hα-helixtrans-66.7-39.2175.555.10000111.5Q345 A346 L351 H352 M353Q345-T349 WeakPolarHBondContact O-CG2 3.25Å; Q345-T349 PolarHBondContact O-N 2.81Å; Q345-T349 PolarHBondContact O-OG1 3.07Å; A346-T349 WeakPolarHBondContact CA-OG1 3.31Å; A346-T349 PolarHBondContact O-OG1 3.36Å; A346-T349 VanDerWaalsContact O-OG1 3.1Å; T349-L351 VanDerWaalsContact C-N 3.35Å; T349-L351 PolarHBondContact O-N 2.94Å; T349-H352 CarbonylContact O-C 3.29Å; T349-H352 PolarHBondContact O-N 3.06Å; T349-H352 VanDerWaalsContact O-N 3.07Å; T349-M353 WeakPolarHBondContact O-CG 3.44Å; T349-M353 PolarHBondContact O-N 2.99Å
350H83.1Confident74.3Confident143 Ų143123 Ų12366%0.66263%0.631SS**Hα-helixtrans-58.6-43.1173.3-178.271.6000112.5A346 M347 H352 M353A346-H350 WeakPolarHBondContact O-CB 3.48Å; A346-H350 PolarHBondContact O-N 3.05Å; M347-H350 PolarHBondContact O-N 3.42Å; H350-H352 PolarHBondContact O-N 3.36Å; H350-M353 PolarHBondContact O-N 3.17Å; H350-M353 VanDerWaalsContact O-N 3.17Å
351L82.9Confident71.6Confident131 Ų131126.6 Ų126.669%0.68665%0.646SS**Hα-helixtrans-64.7-23.5175.4-71.4169.2000113.7M347 M348 T349M347-L351 WeakPolarHBondContact O-CG 3.43Å; M347-L351 PolarHBondContact O-N 3.46Å; M348-L351 PolarHBondContact O-N 2.99Å; T349-L351 VanDerWaalsContact C-N 3.35Å; T349-L351 PolarHBondContact O-N 2.94Å
352H77.6Confident68.9Low138 Ų138130.1 Ų130.164%0.63966%0.659SS**Hα-helixtrans-96-2.3175.7-62.4113.2000113.9M348 T349 H350 R354M348-H352 PolarHBondContact O-N 3.34Å; M348-H352 PolarHBondContact O-ND1 3.17Å; T349-H352 CarbonylContact O-C 3.29Å; T349-H352 PolarHBondContact O-N 3.06Å; T349-H352 VanDerWaalsContact O-N 3.07Å; H350-H352 PolarHBondContact O-N 3.36Å; H352-R354 PolarHBondContact O-N 3.42Å
353M70.3Confident66.2Low130 Ų130131.1 Ų131.164%0.6466%0.664SS**  trans-71.9109.8170.8-72.3-60.499.900109.8T349 H350T349-M353 WeakPolarHBondContact O-CG 3.44Å; T349-M353 PolarHBondContact O-N 2.99Å; H350-M353 PolarHBondContact O-N 3.17Å; H350-M353 VanDerWaalsContact O-N 3.17Å
354R61.1Low64.1Low232 Ų232130.3 Ų130.388%0.87568%0.675SS**PPolyproline II helixtrans-59.7133.5170.5-66.6-178.2-177.2163.51.4109.4H352 S356H352-R354 PolarHBondContact O-N 3.42Å; R354-S356 PolarHBondContact O-N 3.42Å; R354-S356 VanDerWaalsContact O-N 3.17Å
355P57.5Low61.3Low128 Ų128134.6 Ų134.683%0.83170%0.698SS**PPolyproline II helixtrans-57.7120.8167.5-22.333.2000109.7E357P355-E357 PolarHBondContact O-N 2.89Å
356S49.9Very low58.4Low113 Ų113135.9 Ų135.979%0.7971%0.708SS**PPolyproline II helixtrans-66.1126.5171.5550000109.4R354R354-S356 PolarHBondContact O-N 3.42Å; R354-S356 VanDerWaalsContact O-N 3.17Å
357E42.8Very low55.6Low184 Ų184140.7 Ų140.786%0.8673%0.725SS**PPolyproline II helixtrans-57.6138.1-178.6-72.2170.992.400112.1P355 K359P355-E357 PolarHBondContact O-N 2.89Å; E357-K359 PolarHBondContact O-N 3.3Å; E357-K359 VanDerWaalsContact O-N 3.13Å
358P41.9Very low52.6Low122 Ų122140.5 Ų140.579%0.79274%0.741SS**  trans-66.4114.9174.827.7-32.9000109.6P360P358-P360 WeakPolarHBondContact O-CD 3.48Å
359K37.6Very low49.8Very low195 Ų195141.9 Ų141.985%0.84876%0.759SS**  trans-53.6119.4178.1-160.592.3172.6-173.60109.9E357 F361E357-K359 PolarHBondContact O-N 3.3Å; E357-K359 VanDerWaalsContact O-N 3.13Å; K359-F361 PolarHBondContact O-N 2.83Å
360P36.3Very low47.5Very low110 Ų110145.1 Ų145.171%0.71478%0.784SS**  trans-70.8103.3179.726.6-33.2000110.5P358P358-P360 WeakPolarHBondContact O-CD 3.48Å
361F36.9Very low44.9Very low169 Ų169142 Ų14274%0.74179%0.79SS**  trans-78.7115.6174179.1-99.1000109.7K359 Q363K359-F361 PolarHBondContact O-N 2.83Å; F361-Q363 HydrophobicContact CE1-CG 3.74Å; F361-Q363 HydrophobicContact CZ-CG 3.94Å
362N36.2Very low42.5Very low147 Ų147141 Ų14179%0.78679%0.794SS**  trans-115.8142.1169.5-83.2-78.1000110
363Q38.1Very low40.5Very low160 Ų160141.3 Ų141.375%0.74880%0.8SS**  trans-97.7169.6-177.9-103.3-172.7-2.300112.1F361F361-Q363 HydrophobicContact CE1-CG 3.74Å; F361-Q363 HydrophobicContact CZ-CG 3.94Å
364P47.2Very low38.8Very low114 Ų114141.6 Ų141.674%0.7480%0.804SS**  trans-90.7150.5-152.434.8-37.5000115
365L33.9Very low37.5Very low185 Ų185138.6 Ų138.697%0.96980%0.797SS**  trans-142.2173.5147.5-95.4-178.7000109.8
366N34.9Very low36.4Very low140 Ų140141.1 Ų141.175%0.74979%0.79SS**  trans-119.1161.9-153-137.7-29.9000113.9
367L32Very low35.2Very low158 Ų158141.2 Ų141.283%0.82778%0.781SS**  trans53.2111.8160.4-104.566.5000120.5
368A28.5Very low34.6Very low104 Ų104136.7 Ų136.786%0.8677%0.77SS**  -173.2160127.900000110.9
369S32Very low33.9Very low114 Ų114139.9 Ų139.980%0.79778%0.775SS**  trans-121.4164.4-169.8-58.20000114.3
370S36.1Very low33.4Very low130 Ų130134.8 Ų134.891%0.90977%0.769SS**  trans76.7144.6160.2-50.70000117.7
371G30.1Very low33Very low77 Ų77138 Ų13879%0.79477%0.768SS**  cis157148.9-9.800000113.9
372S31Very low34Very low110 Ų110134.6 Ų134.677%0.76976%0.763SS**  trans-176.9120.3163.7-164.30000108
373L35.8Very low33.6Very low145 Ų145134.9 Ų134.976%0.75976%0.759SS**  56.9125.381.7-83.3162.4000113.6
374L34.8Very low33Very low137 Ų137129.7 Ų129.772%0.71775%0.749SS**  cis-134.1166.17.9-57107.3000110.5
375K33.3Very low32.6Very low168 Ų168131.2 Ų131.273%0.7375%0.75SS**  cis87.7113.914.9-176149.2-175.3167.70119
376R34.2Very low33.3Very low181 Ų181127.1 Ų127.168%0.68373%0.734SS**  trans103.9141.8168-65.2-165.3-140.276.3-10114.9
377D26Very low33.2Very low115 Ų115127.7 Ų127.762%0.61573%0.732SS**  cis-152.8153.5-10.5-100.5-26.5000108.2
378S29.5Very low33.8Very low90 Ų90125.8 Ų125.863%0.62973%0.729SS**  62.612768.9-32.40000112.2
379E27.7Very low35.1Very low189 Ų189126.4 Ų126.488%0.88372%0.724SS**  cis-149.1-156.60.3-126.6172.482.100108.7
380A26.1Very low35.2Very low87 Ų87127.2 Ų127.272%0.71973%0.725SS**  cis-153-13719.300000112.2
381Y29Very low35.1Very low178 Ų178127 Ų12770%0.69872%0.723SS**  trans-154-168.8-168.9-149-133.5000109.2
382P58Low35.3Very low98 Ų98128.3 Ų128.364%0.63673%0.727SS**  cis-127.6-166.51.541.8-20.3000114.1
383E27.3Very low35.3Very low153 Ų153128 Ų12872%0.71573%0.73SS**  cis-155.9154.716.4-173.853-107.500112.4
384G25.8Very low35.5Very low51 Ų51127.6 Ų127.653%0.52673%0.734SS.*  trans139.2124155.100000118
385L38.2Very low36.1Very low146 Ų146126 Ų12676%0.76473%0.732SS**  trans-124.5176.4-178.2-93169.4000110.9
386P48.6Very low35.9Very low98 Ų98125.7 Ų125.764%0.63674%0.737SS**  cis-144.5153.327.930.3-4.4000122.1
387H33.5Very low35.8Very low153 Ų153123.1 Ų123.171%0.70874%0.742SS**  trans1.9167.7143.858.9-123.1000122.9
388P45.3Very low36.8Very low118 Ų118122.6 Ų122.677%0.76674%0.744SS**  cis-136.9-177.224.739.6-16.8000118.1
389P55.8Low36.7Very low116 Ų116125.6 Ų125.675%0.75375%0.753SS**  trans-128-177.6-155.344.8-32.5000117.2
390T32.2Very low36.9Very low132 Ų132125.5 Ų125.581%0.8174%0.744SS**  167.9148.7122.9-68.40000113
391S34Very low37.1Very low124 Ų124128.8 Ų128.887%0.86774%0.744SS**  trans-125.1172.7178.4-70.20000113.4
392A36.1Very low37.3Very low106 Ų106123.3 Ų123.388%0.87674%0.743SS**  trans-83.8159.8-163.400000118.1
393A30.8Very low36.5Very low102 Ų102124.6 Ų124.684%0.84375%0.751SS**  trans-157.2159.3151.200000111.4
394T39.8Very low36.7Very low137 Ų137122.3 Ų122.384%0.8475%0.752SS**  trans-109.217017964.70000110.7
395P47.2Very low37.2Very low105 Ų105126.2 Ų126.268%0.68277%0.765SS**  -164.1-168.676.744-20.5000118.6
396I28.9Very low37.3Very low161 Ų161126.1 Ų126.183%0.82676%0.764SS**  trans86.7137.2156.7-63.9165.9000121
397T32.5Very low36.4Very low127 Ų127126.2 Ų126.278%0.77977%0.767SS**  trans-112164177.560000111.2
398P46Very low36.3Very low103 Ų103123.4 Ų123.467%0.66976%0.764SS**  -164.6-167.174.845.7-23.1000119
399L27.4Very low35.6Very low154 Ų154122.9 Ų122.981%0.80676%0.763SS**  trans72.4144.1156.3-95.538000119
400R31.6Very low34.4Very low186 Ų186122.8 Ų122.870%0.70277%0.766SS**  cis-166.6148.8-8.5-130.8-81.8134.4151.4-0.3113
401Q30.4Very low34.4Very low156 Ų156123 Ų12373%0.72976%0.761SS**  trans60.6146162-93.6150-50.200118.8
402G34.4Very low34.3Very low64 Ų64126 Ų12666%0.6676%0.761SS**  cis106.5141.61000000111.4
403P41.5Very low34Very low125 Ų125126.7 Ų126.781%0.81275%0.754SS**  cis-107.2171.921.940.7-32.5000114
404S30.8Very low34Very low104 Ų104130.2 Ų130.273%0.72775%0.753SS**  cis83.294.329-64.10000117.6
405V36.6Very low33.5Very low134 Ų134127.7 Ų127.781%0.81274%0.741SS**  trans-135.2123.5132.5-79.20000106.9
406I39.4Very low32.7Very low144 Ų144130.6 Ų130.674%0.73875%0.745SS**  71.7126.860.7-63.9168.6000110.2
407S30.9Very low32.8Very low99 Ų99127.6 Ų127.669%0.69274%0.739SS**  cis-178.6-179.1-10.3-102.10000107.8
408S30.9Very low32.7Very low95 Ų95129.6 Ų129.666%0.66474%0.739SS**  cis-176.1161.5-35.8-83.40000107.3
409S30.8Very low32.2Very low106 Ų106129.9 Ų129.974%0.74174%0.739SS**  trans38.5121.6148.1-54.50000121.3
410S30.2Very low32.5Very low115 Ų115130.3 Ų130.380%0.80474%0.736SS**  -164.2142.7124.2-860000112.1
411L32.8Very low32.8Very low135 Ų135127.8 Ų127.871%0.70774%0.744SS**  cis-163.9142.7-29.6-125.5171.7000106.4
412H32.1Very low33.1Very low188 Ų188126.8 Ų126.887%0.8775%0.748SS**  trans-102.9133.4160.1-75.2102.7000107.8
413T28.9Very low33.5Very low120 Ų120126.2 Ų126.274%0.73674%0.742SS**  trans-120.6151170.235.40000111
414H30.2Very low33.4Very low176 Ų176126.9 Ų126.982%0.81575%0.747SS**  trans-59.2167.4-172.3-49.2-97000112.8
415S29.7Very low33.6Very low85 Ų85129 Ų12959%0.59475%0.748SS**  cis-169.4-179.729.1-160.60000114.7
416H30.5Very low33.8Very low166 Ų166133.5 Ų133.577%0.76975%0.751SS**  trans7598.7155.3-59.7-55.1000122.2
417S30.6Very low33.7Very low98 Ų98137.6 Ų137.669%0.68576%0.757SS**  75.2127.9117.969.10000124.3
418H31.4Very low34.1Very low169 Ų169143.5 Ų143.578%0.78276%0.764SS**  trans84.4116.1142.6-79.6-60.5000123.4
419T34.8Very low34.3Very low108 Ų108146.5 Ų146.566%0.66377%0.773SS**  trans78.9142140.463.40000123.7
420H33.9Very low34.6Very low163 Ų163144.5 Ų144.576%0.75576%0.759SS**  trans68.6114.4167.6-54.5-64000119.6
421P37.7Very low35Very low134 Ų134144.5 Ų144.587%0.8775%0.75SS**  trans-84.8127.1169.933.5-31.2000111.7
422V37.2Very low35.2Very low134 Ų134146.7 Ų146.781%0.81275%0.753SS**  trans-111.7147.4167.2178.30000108.8
423G43.5Very low35.3Very low52 Ų52148.4 Ų148.454%0.53675%0.754SS.*  trans-63.2171.1-170.100000116.3I425G423-I425 PolarHBondContact O-N 3.34Å
424P38.5Very low35.8Very low140 Ų140146.8 Ų146.891%0.90975%0.746SS**  trans-66.2100-169.726.7-35.2000112.8
425I34.3Very low36.6Very low148 Ų148141.7 Ų141.776%0.75973%0.728SS**  trans-64.1134.3173.9-93.1171.5000111.1G423 R427G423-I425 PolarHBondContact O-N 3.34Å; I425-R427 PolarHBondContact O-N 2.94Å; I425-R427 VanDerWaalsContact O-N 3.12Å
426R40.8Very low38.4Very low229 Ų229141.7 Ų141.786%0.86473%0.726SS**  trans-53.3113.4174.2-162-178-160.7-178.56.8109.3R428R426-R428 PolarHBondContact O-N 3.27Å
427R37.2Very low40.3Very low230 Ų230135.1 Ų135.187%0.86870%0.696SS**  trans-60.9103.5-176-82-168.3176.1-174.10.6111.4I425 N429I425-R427 PolarHBondContact O-N 2.94Å; I425-R427 VanDerWaalsContact O-N 3.12Å; R427-N429 PolarHBondContact O-N 3.41Å; R427-N429 VanDerWaalsContact O-N 3.13Å
428R40Very low42.1Very low222 Ų222132.7 Ų132.784%0.83868%0.682SS**  trans-69.196163.5-171.3-179.9-163.7150.42.5107.3R426 S430R426-R428 PolarHBondContact O-N 3.27Å; R428-S430 PolarHBondContact O-N 3.08Å
429N36.1Very low44.1Very low158 Ų158126.7 Ų126.785%0.84566%0.659SS**  trans-64.498.4176.1-89.612.5000109.3R427R427-N429 PolarHBondContact O-N 3.41Å; R427-N429 VanDerWaalsContact O-N 3.13Å
430S35.9Very low45.9Very low65 Ų65124.7 Ų124.746%0.45564%0.642SS.*  trans-129.2126.6-174.4-122.90000110.9R428 K432R428-S430 PolarHBondContact O-N 3.08Å; S430-K432 PolarHBondContact O-N 2.86Å
431D38.9Very low48.1Very low114 Ų114116.9 Ų116.961%0.6161%0.606SS**SBendtrans60.638.3143.4-55.2-69000118.6
432K36.1Very low49.8Very low181 Ų181113.8 Ų113.879%0.78759%0.591SS**SBendtrans-130111.4158-49.7-68.6166.2-176.10108.1S430S430-K432 PolarHBondContact O-N 2.86Å
433Y35.4Very low51.4Low225 Ų225114.2 Ų114.288%0.88259%0.585SS**  trans53.399.4-178.2-56.7-79.8000116.1T435Y433-T435 PolarHBondContact O-N 3.45Å
434C38.7Very low53Low85 Ų85114.7 Ų114.757%0.57458%0.575SS**  trans-75.4103152.8-178.80000106.6
435T47Very low54.7Low70 Ų70110.3 Ų110.343%0.42955%0.547SS..  trans-51.1137.7164.3-17.60000108.1Y433 I437Y433-T435 PolarHBondContact O-N 3.45Å; T435-I437 PolarHBondContact O-N 3.45Å
436P68Low56.7Low84 Ų84108.2 Ų108.255%0.54553%0.534SS..  trans-57.5135171.3-2434.2000109.1A438 S439 E440P436-A438 PolarHBondContact O-N 3.48Å; P436-A438 VanDerWaalsContact O-N 3.09Å; P436-S439 WeakPolarHBondContact O-CA 3.36Å; P436-S439 WeakPolarHBondContact O-CB 3.31Å; P436-S439 PolarHBondContact O-N 2.89Å; P436-E440 PolarHBondContact O-N 3.16Å
437I70.9Confident58.7Low28 Ų28101.3 Ų101.314%0.14451%0.51CS..Hα-helixtrans-54.4-33.5178-65.8158.5000110.6T435 S439 E440 L441 F457T435-I437 PolarHBondContact O-N 3.45Å; I437-S439 VanDerWaalsContact C-N 3.34Å; I437-S439 PolarHBondContact O-N 2.86Å; I437-E440 PolarHBondContact O-N 3.48Å; I437-L441 WeakPolarHBondContact O-CB 3.5Å; I437-L441 PolarHBondContact O-N 2.97Å; I437-F457 HydrophobicContact CG1-CE1 4.37Å; I437-F457 HydrophobicContact CG2-CD1 4.26Å; I437-F457 HydrophobicContact CG2-CE1 4.14Å; I437-F457 HydrophobicContact CG2-CZ 4.34Å
438A68.3Low61Low48 Ų4891.3 Ų91.340%0.39747%0.473SS..Hα-helixtrans-60.7-36.1172.400000114P436 A442 H465P436-A438 PolarHBondContact O-N 3.48Å; P436-A438 VanDerWaalsContact O-N 3.09Å; A438-A442 WeakPolarHBondContact O-CB 3.38Å; A438-A442 PolarHBondContact O-N 3.03Å; A438-H465 WeakPolarHBondContact CA-NE2 3.45Å
439S71.9Confident63.1Low43 Ų4384.5 Ų84.530%0.30145%0.449SS..Hα-helixtrans-74.1-44.3178.1-167.60000111.4P436 I437 A442 Q443P436-S439 WeakPolarHBondContact O-CA 3.36Å; P436-S439 WeakPolarHBondContact O-CB 3.31Å; P436-S439 PolarHBondContact O-N 2.89Å; I437-S439 VanDerWaalsContact C-N 3.34Å; I437-S439 PolarHBondContact O-N 2.86Å; S439-A442 PolarHBondContact O-N 2.96Å; S439-Q443 WeakPolarHBondContact O-CB 3.45Å; S439-Q443 VanDerWaalsContact O-CG 3.23Å; S439-Q443 WeakPolarHBondContact O-CG 3.42Å; S439-Q443 PolarHBondContact O-N 3.35Å; S439-Q443 PolarHBondContact OG-NE2 3.46Å; S439-Q443 VanDerWaalsContact OG-NE2 3.08Å
440E74.3Confident65.3Low65 Ų6582 Ų8230%0.30444%0.436SS..Hα-helixtrans-64.7-41.1176.6-168.5-177.5160.100111.6P436 I437 N444 F457P436-E440 PolarHBondContact O-N 3.16Å; I437-E440 PolarHBondContact O-N 3.48Å; E440-N444 WeakPolarHBondContact O-CB 3.34Å; E440-N444 PolarHBondContact O-N 2.99Å; E440-N444 VanDerWaalsContact O-N 3.15Å; E440-N444 PolarHBondContact O-ND2 2.91Å; E440-F457 HydrophobicContact CB-CZ 4.46Å; E440-F457 HydrophobicContact CG-CZ 4.18Å
441L79.1Confident67.5Low0 Ų079.5 Ų79.50%042%0.419CS..Hα-helixtrans-73.5-31.4177.3-173.958.7000113I437 N444 C445 Y448 W483 K487 F488I437-L441 WeakPolarHBondContact O-CB 3.5Å; I437-L441 PolarHBondContact O-N 2.97Å; L441-N444 CarbonylContact O-C 3.56Å; L441-C445 VanDerWaalsContact O-CA 3.28Å; L441-C445 WeakPolarHBondContact O-CA 3.42Å; L441-C445 PolarHBondContact O-N 3.13Å; L441-Y448 HydrophobicContact CD1-CD2 3.8Å; L441-Y448 HydrophobicContact CD1-CE2 4.43Å; L441-Y448 HydrophobicContact CD1-CG 4.42Å; L441-W483 HydrophobicContact CD2-CH2 4.07Å; L441-W483 HydrophobicContact CD2-CZ2 4.13Å; L441-K487 HydrophobicContact CD2-CD 4.48Å; L441-K487 HydrophobicContact CD2-CG 4.08Å; L441-F488 HydrophobicContact CD1-CE1 3.55Å; L441-F488 HydrophobicContact CD1-CZ 3.68Å; L441-F488 HydrophobicContact CD2-CZ 3.93Å; L441-F488 HydrophobicContact CG-CZ 4.5Å
442A73.8Confident69.7Low68 Ų6877.5 Ų77.556%0.56241%0.408SS*.Hα-helixtrans-68.9-47.6172.700000111.5A438 S439 N444 C445A438-A442 WeakPolarHBondContact O-CB 3.38Å; A438-A442 PolarHBondContact O-N 3.03Å; S439-A442 PolarHBondContact O-N 2.96Å; A442-N444 PolarHBondContact O-N 3.06Å; A442-C445 VanDerWaalsContact O-CB 3.22Å; A442-C445 WeakPolarHBondContact O-CB 3.44Å; A442-C445 PolarHBondContact O-N 3.42Å
443Q71.6Confident72Confident144 Ų14472.3 Ų72.367%0.67339%0.392SS*.Hα-helixtrans-61-32.8178.3-71.1171.537.900112.5S439S439-Q443 WeakPolarHBondContact O-CB 3.45Å; S439-Q443 VanDerWaalsContact O-CG 3.23Å; S439-Q443 WeakPolarHBondContact O-CG 3.42Å; S439-Q443 PolarHBondContact O-N 3.35Å; S439-Q443 PolarHBondContact OG-NE2 3.46Å; S439-Q443 VanDerWaalsContact OG-NE2 3.08Å
444N75.8Confident74.5Confident62 Ų6268.7 Ų68.733%0.33238%0.377SS..THydrogen-bonded Turntrans-104.619179.5-63.5-86.9000113.2E440 L441 A442 E446 F447 Y448E440-N444 WeakPolarHBondContact O-CB 3.34Å; E440-N444 PolarHBondContact O-N 2.99Å; E440-N444 VanDerWaalsContact O-N 3.15Å; E440-N444 PolarHBondContact O-ND2 2.91Å; L441-N444 CarbonylContact O-C 3.56Å; A442-N444 PolarHBondContact O-N 3.06Å; N444-E446 PolarHBondContact O-N 3.36Å; N444-F447 PolarHBondContact O-N 3.06Å; N444-Y448 HydrophobicContact CB-CD2 3.68Å; N444-Y448 HydrophobicContact CB-CE2 3.54Å; N444-Y448 VanDerWaalsContact O-CD2 3.3Å; N444-Y448 WeakPolarHBondContact O-CD2 3.44Å; N444-Y448 PolarHBondContact O-N 3.39Å
445C75.5Confident76.9Confident47 Ų4765 Ų6532%0.31835%0.351SS..Hα-helixtrans-53.1-57.7-173.5174.30000112.3L441 A442 F447 Y448 K449L441-C445 VanDerWaalsContact O-CA 3.28Å; L441-C445 WeakPolarHBondContact O-CA 3.42Å; L441-C445 PolarHBondContact O-N 3.13Å; A442-C445 VanDerWaalsContact O-CB 3.22Å; A442-C445 WeakPolarHBondContact O-CB 3.44Å; A442-C445 PolarHBondContact O-N 3.42Å; C445-F447 VanDerWaalsContact C-N 3.3Å; C445-F447 PolarHBondContact O-N 3.17Å; C445-Y448 PolarHBondContact O-N 3.04Å; C445-K449 WeakPolarHBondContact O-CB 3.48Å; C445-K449 PolarHBondContact O-N 3.2Å
446E74.8Confident78.8Confident105 Ų10566 Ų6649%0.49136%0.359SS..Hα-helixtrans-67.8-29.2-177-61.5-58.111000112.8N444 K449 N450N444-E446 PolarHBondContact O-N 3.36Å; E446-K449 WeakPolarHBondContact OE1-CD 3.45Å; E446-K449 IonicContact OE1-NZ 2.8Å; E446-K449 PolarHBondContact OE1-NZ 3.42Å; E446-K449 WeakPolarHBondContact OE2-CD 3.43Å; E446-K449 IonicContact OE2-NZ 3.15Å; E446-K449 PolarHBondContact OE2-NZ 3.12Å; E446-N450 WeakPolarHBondContact O-CB 3.4Å; E446-N450 PolarHBondContact O-N 2.82Å
447F83.6Confident79.8Confident83 Ų8363.4 Ų63.436%0.36434%0.339SS..Hα-helixtrans-63.4-52.5173178.1-98.6000110.8N444 C445 K449 N450 A451 V453N444-F447 PolarHBondContact O-N 3.06Å; C445-F447 VanDerWaalsContact C-N 3.3Å; C445-F447 PolarHBondContact O-N 3.17Å; F447-K449 PolarHBondContact O-N 3.17Å; F447-N450 PolarHBondContact O-N 3.1Å; F447-A451 HydrophobicContact CD2-CB 4.36Å; F447-A451 HydrophobicContact CE1-CB 4.44Å; F447-A451 HydrophobicContact CE2-CB 4.08Å; F447-A451 HydrophobicContact CZ-CB 4.12Å; F447-A451 WeakPolarHBondContact O-CB 3.16Å; F447-A451 PolarHBondContact O-N 3.13Å; F447-V453 HydrophobicContact CE1-CB 4.43Å; F447-V453 HydrophobicContact CZ-CG2 4.2Å
448Y85.6Confident80.9Confident21 Ų2166.3 Ų66.38%0.08236%0.358CS..Hα-helixtrans-70.2-30.2-178.5-76.9-55.8000113.9L441 N444 C445 N450 P455 P456 F488 A489L441-Y448 HydrophobicContact CD1-CD2 3.8Å; L441-Y448 HydrophobicContact CD1-CE2 4.43Å; L441-Y448 HydrophobicContact CD1-CG 4.42Å; N444-Y448 HydrophobicContact CB-CD2 3.68Å; N444-Y448 HydrophobicContact CB-CE2 3.54Å; N444-Y448 VanDerWaalsContact O-CD2 3.3Å; N444-Y448 WeakPolarHBondContact O-CD2 3.44Å; N444-Y448 PolarHBondContact O-N 3.39Å; C445-Y448 PolarHBondContact O-N 3.04Å; Y448-N450 VanDerWaalsContact C-N 3.31Å; Y448-N450 PolarHBondContact O-N 2.86Å; Y448-P455 HydrophobicContact CD1-CB 4.48Å; Y448-P455 HydrophobicContact CD1-CG 4.28Å; Y448-P455 HydrophobicContact CE1-CB 4.24Å; Y448-P455 HydrophobicContact CE1-CG 4.47Å; Y448-P456 WeakPolarHBondContact OH-CD 3.43Å; Y448-F488 HydrophobicContact CD1-CD1 4.27Å; Y448-F488 HydrophobicContact CD1-CE1 4.38Å; Y448-F488 HydrophobicContact CG-CD1 4.12Å; Y448-F488 HydrophobicContact CG-CE1 4.05Å; Y448-F488 CarbonylContact O-C 3.56Å; Y448-F488 WeakPolarHBondContact O-CA 3.48Å; Y448-A489 PolarHBondContact O-N 3.48Å
449K84.4Confident82.2Confident78 Ų7866.3 Ų66.334%0.33935%0.348SS..Hα-helixtrans-68.7-26.1176.3-179.4-167.6177.4-170.80113.3C445 E446 F447 R492C445-K449 WeakPolarHBondContact O-CB 3.48Å; C445-K449 PolarHBondContact O-N 3.2Å; E446-K449 WeakPolarHBondContact OE1-CD 3.45Å; E446-K449 IonicContact OE1-NZ 2.8Å; E446-K449 PolarHBondContact OE1-NZ 3.42Å; E446-K449 WeakPolarHBondContact OE2-CD 3.43Å; E446-K449 IonicContact OE2-NZ 3.15Å; E446-K449 PolarHBondContact OE2-NZ 3.12Å; F447-K449 PolarHBondContact O-N 3.17Å; K449-R492 VanDerWaalsContact O-CZ 3.31Å; K449-R492 PolarHBondContact O-NH1 2.93Å; K449-R492 PolarHBondContact O-NH2 2.99Å
450N81.4Confident83.2Confident107 Ų10764.8 Ų64.857%0.57234%0.338SS*.Hα-helixtrans-117.6-26.6-173.1-68.135.7000114.2E446 F447 Y448E446-N450 WeakPolarHBondContact O-CB 3.4Å; E446-N450 PolarHBondContact O-N 2.82Å; F447-N450 PolarHBondContact O-N 3.1Å; Y448-N450 VanDerWaalsContact C-N 3.31Å; Y448-N450 PolarHBondContact O-N 2.86Å
451A83.4Confident84.1Confident11 Ų1162.4 Ų62.49%0.09133%0.329CS..SBendtrans-93.2132.9177.100000111.6F447 V453F447-A451 HydrophobicContact CD2-CB 4.36Å; F447-A451 HydrophobicContact CE1-CB 4.44Å; F447-A451 HydrophobicContact CE2-CB 4.08Å; F447-A451 HydrophobicContact CZ-CB 4.12Å; F447-A451 WeakPolarHBondContact O-CB 3.16Å; F447-A451 PolarHBondContact O-N 3.13Å; A451-V453 HydrophobicContact CB-CG2 4.08Å; A451-V453 PolarHBondContact O-N 3Å
452D83.4Confident84.9Confident72 Ų7262.5 Ų62.539%0.38533%0.329SS..  trans-73.935.1176.5-71.4-47000113.4A489 Y490 R493D452-A489 WeakPolarHBondContact OD1-CB 3.46Å; D452-Y490 WeakPolarHBondContact O-CD2 3.47Å; D452-R493 IonicContact OD1-CZ 3.68Å; D452-R493 IonicContact OD1-NH1 2.79Å; D452-R493 PolarHBondContact OD1-NH1 3.34Å; D452-R493 IonicContact OD1-NH2 3.78Å; D452-R493 IonicContact OD2-CZ 3.63Å; D452-R493 IonicContact OD2-NH1 2.71Å; D452-R493 PolarHBondContact OD2-NH1 2.86Å; D452-R493 IonicContact OD2-NH2 2.84Å; D452-R493 PolarHBondContact OD2-NH2 3.01Å
453V86Confident85.9Confident73 Ų7359.2 Ų59.244%0.44230%0.303SS..PPolyproline II helixtrans-91.5129-179.1177.90000109.5F447 A451 P455F447-V453 HydrophobicContact CE1-CB 4.43Å; F447-V453 HydrophobicContact CZ-CG2 4.2Å; A451-V453 HydrophobicContact CB-CG2 4.08Å; A451-V453 PolarHBondContact O-N 3Å; V453-P455 WeakPolarHBondContact O-CD 3.48Å
454R87.1Confident87.1Confident149 Ų14954.7 Ų54.756%0.56228%0.279SS*.PPolyproline II helixtrans-63.1125.6173.8-178.7174.9171.4175.8-2.9110Y490R454-Y490 HydrophobicContact CB-CD1 4.04Å; R454-Y490 HydrophobicContact CB-CD2 4.11Å; R454-Y490 HydrophobicContact CB-CE1 3.82Å; R454-Y490 HydrophobicContact CB-CE2 3.9Å; R454-Y490 HydrophobicContact CB-CG 4.18Å; R454-Y490 HydrophobicContact CG-CD1 4.15Å; R454-Y490 HydrophobicContact CG-CE1 3.72Å
455P88.1Confident87.9Confident6 Ų652.8 Ų52.84%0.03927%0.268CS..PPolyproline II helixtrans-63.1145.9179.6-23.134.3000112.5Y448 V453 F457 F488 F491Y448-P455 HydrophobicContact CD1-CB 4.48Å; Y448-P455 HydrophobicContact CD1-CG 4.28Å; Y448-P455 HydrophobicContact CE1-CB 4.24Å; Y448-P455 HydrophobicContact CE1-CG 4.47Å; V453-P455 WeakPolarHBondContact O-CD 3.48Å; P455-F457 HydrophobicContact CB-CD2 3.88Å; P455-F457 PolarHBondContact O-N 3.33Å; P455-F488 HydrophobicContact CB-CD1 4.24Å; P455-F488 HydrophobicContact CB-CE1 3.86Å; P455-F488 HydrophobicContact CB-CZ 4.43Å; P455-F488 HydrophobicContact CG-CD1 3.18Å; P455-F488 HydrophobicContact CG-CD2 4.47Å; P455-F488 HydrophobicContact CG-CE1 3.27Å; P455-F488 HydrophobicContact CG-CG 3.85Å; P455-F488 HydrophobicContact CG-CZ 3.99Å; P455-F491 HydrophobicContact CG-CE2 4.29Å
456P88Confident88.9Confident91 Ų9150.6 Ų50.659%0.59125%0.253SS*.SBendtrans-75.929.3179.834.1-37.4000113.3Y448Y448-P456 WeakPolarHBondContact OH-CD 3.43Å
457F89.6Confident89.9Confident31 Ų3145.6 Ų45.614%0.13623%0.23CC..SBendtrans-119.8147.1-174.9-56-64000111.6I437 E440 P455 L462I437-F457 HydrophobicContact CG1-CE1 4.37Å; I437-F457 HydrophobicContact CG2-CD1 4.26Å; I437-F457 HydrophobicContact CG2-CE1 4.14Å; I437-F457 HydrophobicContact CG2-CZ 4.34Å; E440-F457 HydrophobicContact CB-CZ 4.46Å; E440-F457 HydrophobicContact CG-CZ 4.18Å; P455-F457 HydrophobicContact CB-CD2 3.88Å; P455-F457 PolarHBondContact O-N 3.33Å; F457-L462 HydrophobicContact CB-CD1 4.32Å; F457-L462 HydrophobicContact CB-CD2 3.83Å; F457-L462 HydrophobicContact CB-CG 3.82Å; F457-L462 HydrophobicContact CD2-CD2 3.98Å; F457-L462 HydrophobicContact CG-CD2 4.22Å
458T93.8Very high90.3Very high89 Ų8943.9 Ų43.955%0.54622%0.224SC..  trans-72.4150.9173.158.40000111.3A460 S461 L462T458-A460 VanDerWaalsContact C-N 3.29Å; T458-A460 PolarHBondContact O-N 2.69Å; T458-S461 WeakPolarHBondContact O-CB 3.41Å; T458-S461 PolarHBondContact O-N 3.41Å; T458-S461 WeakPolarHBondContact OG1-CB 3.46Å; T458-S461 PolarHBondContact OG1-N 3.13Å; T458-S461 PolarHBondContact OG1-OG 3.17Å; T458-L462 PolarHBondContact O-N 3.05Å
459Y94.9Very high90.5Very high47 Ų4747.3 Ų47.318%0.18424%0.241CC..Hα-helixtrans-52.7-46.2175.3-76.5-68000111.7S461 L462 I463 F484 F491 W498 V502 N505Y459-S461 VanDerWaalsContact C-N 3.29Å; Y459-S461 PolarHBondContact O-N 3.42Å; Y459-L462 PolarHBondContact O-N 3.2Å; Y459-L462 VanDerWaalsContact O-N 3.16Å; Y459-I463 WeakPolarHBondContact O-CB 3.46Å; Y459-I463 WeakPolarHBondContact O-CD1 3.34Å; Y459-I463 WeakPolarHBondContact O-CG1 3.39Å; Y459-I463 PolarHBondContact O-N 3.43Å; Y459-F484 AromaticContact CD1-CE1 3.73Å; Y459-F484 HydrophobicContact CD1-CE1 3.73Å; Y459-F484 HydrophobicContact CD1-CZ 4.07Å; Y459-F484 AromaticContact CE1-CE1 3.94Å; Y459-F484 HydrophobicContact CE1-CE1 3.94Å; Y459-F491 AromaticContact CE1-CE1 3.92Å; Y459-F491 HydrophobicContact CE1-CE1 3.92Å; Y459-F491 HydrophobicContact CE1-CZ 4.09Å; Y459-W498 HydrophobicContact CE1-CB 4.31Å; Y459-W498 WeakPolarHBondContact OH-CB 3.3Å; Y459-V502 HydrophobicContact CD1-CG2 3.97Å; Y459-V502 HydrophobicContact CE1-CG2 4.24Å; Y459-N505 WeakPolarHBondContact CB-OD1 3.36Å
460A93.9Very high90.9Very high11 Ų1144.2 Ų44.29%0.09123%0.23CC..Hα-helixtrans-56.2-38.1174.400000113.9T458 R464 N505 F512T458-A460 VanDerWaalsContact C-N 3.29Å; T458-A460 PolarHBondContact O-N 2.69Å; A460-R464 VanDerWaalsContact O-CB 3.28Å; A460-R464 WeakPolarHBondContact O-CB 3.23Å; A460-R464 PolarHBondContact O-N 3.18Å; A460-N505 PolarHBondContact N-OD1 3.06Å; A460-F512 HydrophobicContact CB-CE2 4.15Å; A460-F512 HydrophobicContact CB-CZ 4.24Å; A460-F512 WeakPolarHBondContact O-CZ 3.29Å
461S93.3Very high91.4Very high15 Ų1544.8 Ų44.811%0.10524%0.239CC..Hα-helixtrans-70.3-38.8176.9-62.60000112.5T458 Y459 H465 Y530T458-S461 WeakPolarHBondContact O-CB 3.41Å; T458-S461 PolarHBondContact O-N 3.41Å; T458-S461 WeakPolarHBondContact OG1-CB 3.46Å; T458-S461 PolarHBondContact OG1-N 3.13Å; T458-S461 PolarHBondContact OG1-OG 3.17Å; Y459-S461 VanDerWaalsContact C-N 3.29Å; Y459-S461 PolarHBondContact O-N 3.42Å; S461-H465 PolarHBondContact O-N 3.4Å; S461-H465 VanDerWaalsContact O-N 3.09Å; S461-Y530 PolarHBondContact OG-OH 3.39Å
462L94.7Very high91.7Very high2 Ų249.8 Ų49.81%0.0126%0.264CS..Hα-helixtrans-70.4-45.8177.1-69.3177.6000112.3F457 T458 Y459 R464 H465 A466 W483 F484 F488 F491F457-L462 HydrophobicContact CB-CD1 4.32Å; F457-L462 HydrophobicContact CB-CD2 3.83Å; F457-L462 HydrophobicContact CB-CG 3.82Å; F457-L462 HydrophobicContact CD2-CD2 3.98Å; F457-L462 HydrophobicContact CG-CD2 4.22Å; T458-L462 PolarHBondContact O-N 3.05Å; Y459-L462 PolarHBondContact O-N 3.2Å; Y459-L462 VanDerWaalsContact O-N 3.16Å; L462-R464 PolarHBondContact O-N 2.67Å; L462-H465 PolarHBondContact O-N 3.18Å; L462-H465 VanDerWaalsContact O-N 3.15Å; L462-A466 PolarHBondContact O-N 3.01Å; L462-W483 HydrophobicContact CB-CZ3 4.17Å; L462-W483 HydrophobicContact CD2-CH2 4.22Å; L462-W483 HydrophobicContact CD2-CZ3 4.4Å; L462-F484 HydrophobicContact CB-CE1 4.23Å; L462-F484 HydrophobicContact CB-CE2 4.17Å; L462-F484 HydrophobicContact CB-CZ 3.56Å; L462-F484 HydrophobicContact CD1-CE1 3.97Å; L462-F484 HydrophobicContact CD1-CZ 4.16Å; L462-F488 HydrophobicContact CD1-CE2 4.4Å; L462-F488 HydrophobicContact CD2-CE2 3.96Å; L462-F488 HydrophobicContact CD2-CZ 3.65Å; L462-F491 HydrophobicContact CD1-CE2 4.23Å; L462-F491 HydrophobicContact CD1-CZ 4.45Å
463I95.9Very high92.2Very high0 Ų053.4 Ų53.40%027%0.272CS..Hα-helixtrans-60.6-45.6176.7-65.9162.5000110.2Y459 H465 A466 I467 I480 F484 V502 N505 L506 F512Y459-I463 WeakPolarHBondContact O-CB 3.46Å; Y459-I463 WeakPolarHBondContact O-CD1 3.34Å; Y459-I463 WeakPolarHBondContact O-CG1 3.39Å; Y459-I463 PolarHBondContact O-N 3.43Å; I463-H465 VanDerWaalsContact C-N 3.32Å; I463-H465 PolarHBondContact O-N 3.14Å; I463-A466 PolarHBondContact O-N 3.45Å; I463-I467 HydrophobicContact CG2-CD1 3.88Å; I463-I467 WeakPolarHBondContact O-CG1 3.45Å; I463-I467 PolarHBondContact O-N 2.96Å; I463-I480 HydrophobicContact CG1-CG2 4.36Å; I463-I480 HydrophobicContact CG2-CD1 4.43Å; I463-F484 HydrophobicContact CG1-CE2 3.94Å; I463-F484 HydrophobicContact CG1-CZ 3.99Å; I463-V502 HydrophobicContact CD1-CB 4.43Å; I463-V502 HydrophobicContact CD1-CG1 4.06Å; I463-V502 HydrophobicContact CD1-CG2 4.39Å; I463-V502 HydrophobicContact CG1-CG1 4.37Å; I463-N505 HydrophobicContact CD1-CB 3.73Å; I463-L506 HydrophobicContact CD1-CG 4.46Å; I463-L506 HydrophobicContact CG2-CD2 3.66Å; I463-L506 HydrophobicContact CG2-CG 4.45Å; I463-F512 HydrophobicContact CB-CE1 4.1Å; I463-F512 HydrophobicContact CB-CZ 3.87Å; I463-F512 HydrophobicContact CG2-CD1 3.97Å; I463-F512 HydrophobicContact CG2-CE1 3.51Å; I463-F512 HydrophobicContact CG2-CE2 4.29Å; I463-F512 HydrophobicContact CG2-CZ 3.7Å
464R95.1Very high92.6Very high49 Ų4952.4 Ų52.419%0.18526%0.263CS..Hα-helixtrans-58.4-43.7173.8171.8175.9174-72.93.8111.8A460 L462 L468 F512 V525 E527 Y530A460-R464 VanDerWaalsContact O-CB 3.28Å; A460-R464 WeakPolarHBondContact O-CB 3.23Å; A460-R464 PolarHBondContact O-N 3.18Å; L462-R464 PolarHBondContact O-N 2.67Å; R464-L468 HydrophobicContact CG-CD1 3.67Å; R464-L468 HydrophobicContact CG-CG 4.3Å; R464-L468 WeakPolarHBondContact O-CB 3.33Å; R464-L468 WeakPolarHBondContact O-CG 3.41Å; R464-L468 PolarHBondContact O-N 3.28Å; R464-F512 HydrophobicContact CB-CE1 4.27Å; R464-V525 HydrophobicContact CB-CG2 4.39Å; R464-V525 HydrophobicContact CG-CG1 4.13Å; R464-V525 HydrophobicContact CG-CG2 4.34Å; R464-E527 IonicContact CZ-OE1 3.45Å; R464-E527 IonicContact CZ-OE2 3.28Å; R464-E527 IonicContact NE-OE1 3.18Å; R464-E527 IonicContact NE-OE2 3.39Å; R464-E527 PolarHBondContact NE-OE2 3.29Å; R464-E527 IonicContact NH2-OE1 2.71Å; R464-E527 PolarHBondContact NH2-OE1 3.29Å; R464-E527 IonicContact NH2-OE2 3.54Å; R464-E527 PolarHBondContact NH2-OE2 3.48Å; R464-Y530 HydrophobicContact CB-CE2 4.38Å; R464-Y530 VanDerWaalsContact CD-CD1 3.45Å; R464-Y530 VanDerWaalsContact CD-CZ 3.47Å
465H94.3Very high93Very high21 Ų2146.2 Ų46.210%0.09724%0.241CC..Hα-helixtrans-65.1-44.2178.9-174.21.6000111.6A438 S461 L462 I463 I467 L468 E469 W483A438-H465 WeakPolarHBondContact CA-NE2 3.45Å; S461-H465 PolarHBondContact O-N 3.4Å; S461-H465 VanDerWaalsContact O-N 3.09Å; L462-H465 PolarHBondContact O-N 3.18Å; L462-H465 VanDerWaalsContact O-N 3.15Å; I463-H465 VanDerWaalsContact C-N 3.32Å; I463-H465 PolarHBondContact O-N 3.14Å; H465-I467 VanDerWaalsContact C-N 3.35Å; H465-I467 PolarHBondContact O-N 3.47Å; H465-L468 PolarHBondContact O-N 3.5Å; H465-E469 IonicContact CE1-OE2 2.76Å; H465-E469 VanDerWaalsContact O-CB 3.26Å; H465-E469 WeakPolarHBondContact O-CB 3.49Å; H465-E469 PolarHBondContact O-N 3.19Å; H465-W483 HydrophobicContact CB-CH2 4.44Å; H465-W483 HydrophobicContact CB-CZ2 4.47Å
466A95.5Very high93.4Very high1 Ų147.9 Ų47.91%0.00825%0.251CS..Hα-helixtrans-55-49.5176.700000111.8L462 I463 E469 S470 L475 W483L462-A466 PolarHBondContact O-N 3.01Å; I463-A466 PolarHBondContact O-N 3.45Å; A466-E469 PolarHBondContact O-N 3.18Å; A466-S470 PolarHBondContact O-N 3.22Å; A466-L475 HydrophobicContact CB-CD1 4.13Å; A466-L475 WeakPolarHBondContact O-CD1 3.48Å; A466-W483 HydrophobicContact CB-CB 4.21Å; A466-W483 HydrophobicContact CB-CD2 3.4Å; A466-W483 HydrophobicContact CB-CE3 3.64Å; A466-W483 HydrophobicContact CB-CG 3.66Å; A466-W483 HydrophobicContact CB-CH2 4.38Å; A466-W483 HydrophobicContact CB-CZ2 4.19Å; A466-W483 HydrophobicContact CB-CZ3 4.11Å
467I95.2Very high93.8Very high0 Ų045.9 Ų45.90%024%0.235CC..Hα-helixtrans-66.2-42-179.8-63.2166.7000111I463 H465 E469 S470 R473 L475 I480 F512 W523 V525I463-I467 HydrophobicContact CG2-CD1 3.88Å; I463-I467 WeakPolarHBondContact O-CG1 3.45Å; I463-I467 PolarHBondContact O-N 2.96Å; H465-I467 VanDerWaalsContact C-N 3.35Å; H465-I467 PolarHBondContact O-N 3.47Å; I467-E469 VanDerWaalsContact C-N 3.32Å; I467-E469 PolarHBondContact O-N 2.8Å; I467-S470 WeakPolarHBondContact O-CB 3.47Å; I467-S470 PolarHBondContact O-N 3.1Å; I467-S470 PolarHBondContact O-OG 2.92Å; I467-R473 WeakPolarHBondContact CG2-O 3.33Å; I467-R473 WeakPolarHBondContact O-CA 3.46Å; I467-L475 HydrophobicContact CG1-CB 4.31Å; I467-L475 HydrophobicContact CG1-CD1 4.38Å; I467-L475 HydrophobicContact CG1-CG 4.5Å; I467-I480 HydrophobicContact CD1-CD1 4.16Å; I467-I480 HydrophobicContact CG1-CD1 4.26Å; I467-I480 HydrophobicContact CG1-CG1 4.48Å; I467-F512 HydrophobicContact CD1-CD1 4.17Å; I467-F512 HydrophobicContact CD1-CE1 4.43Å; I467-W523 HydrophobicContact CD1-CB 4.19Å; I467-V525 HydrophobicContact CB-CG2 3.85Å; I467-V525 HydrophobicContact CD1-CG2 3.8Å; I467-V525 HydrophobicContact CG1-CG2 4.43Å; I467-V525 HydrophobicContact CG2-CG2 3.83Å
468L92.6Very high94.1Very high47 Ų4749 Ų4925%0.24625%0.253CS..Hα-helixtrans-76.9-13.3179.1-66.8177.4000114.9R464 H465 R473R464-L468 HydrophobicContact CG-CD1 3.67Å; R464-L468 HydrophobicContact CG-CG 4.3Å; R464-L468 WeakPolarHBondContact O-CB 3.33Å; R464-L468 WeakPolarHBondContact O-CG 3.41Å; R464-L468 PolarHBondContact O-N 3.28Å; H465-L468 PolarHBondContact O-N 3.5Å; L468-R473 PolarHBondContact O-NH1 3.45Å
469E91Very high94.2Very high94 Ų9448.9 Ų48.944%0.43925%0.246SC..Hα-helixtrans-83.7-17.8169.9-175.3170.9-155.800111.9H465 A466 I467 W483 K487H465-E469 IonicContact CE1-OE2 2.76Å; H465-E469 VanDerWaalsContact O-CB 3.26Å; H465-E469 WeakPolarHBondContact O-CB 3.49Å; H465-E469 PolarHBondContact O-N 3.19Å; A466-E469 PolarHBondContact O-N 3.18Å; I467-E469 VanDerWaalsContact C-N 3.32Å; I467-E469 PolarHBondContact O-N 2.8Å; E469-W483 PolarHBondContact OE2-NE1 2.86Å; E469-K487 IonicContact OE1-NZ 3.75Å; E469-K487 PolarHBondContact OE1-NZ 3.08Å; E469-K487 IonicContact OE2-NZ 3.85Å; E469-K487 PolarHBondContact OE2-NZ 3.42Å
470S92.3Very high94.2Very high13 Ų1346.6 Ų46.69%0.09124%0.238CC..SBendtrans-72.4144.2169.777.70000111.4A466 I467 D472 R473 Q474A466-S470 PolarHBondContact O-N 3.22Å; I467-S470 WeakPolarHBondContact O-CB 3.47Å; I467-S470 PolarHBondContact O-N 3.1Å; I467-S470 PolarHBondContact O-OG 2.92Å; S470-D472 VanDerWaalsContact C-N 3.35Å; S470-D472 PolarHBondContact O-N 3.35Å; S470-R473 PolarHBondContact O-N 3.41Å; S470-R473 WeakPolarHBondContact OG-CA 3.42Å; S470-R473 PolarHBondContact OG-N 3Å; S470-Q474 PolarHBondContact OG-N 2.99Å; S470-Q474 VanDerWaalsContact OG-N 3.13Å; S470-Q474 PolarHBondContact OG-O 3.28Å
471P90.7Very high94.3Very high118 Ų11847.1 Ų47.177%0.76624%0.237SC*.THydrogen-bonded Turntrans-62.3-43.6-179.224.8-33.2000111.6R473P471-R473 PolarHBondContact O-N 3.38Å
472D91.1Very high94.4Very high116 Ų11649.8 Ų49.862%0.6225%0.251SS*.THydrogen-bonded Turntrans-79.3-1-176.5-57.5-15000113.4S470 Q474S470-D472 VanDerWaalsContact C-N 3.35Å; S470-D472 PolarHBondContact O-N 3.35Å; D472-Q474 HydrophobicContact CB-CG 3.72Å; D472-Q474 PolarHBondContact O-N 3.02Å; D472-Q474 VanDerWaalsContact O-N 3.16Å
473R92.9Very high94.4Very high148 Ų14850.3 Ų50.356%0.55825%0.252SS*.SBendtrans54.228-174.5-50.9-162.4175.7-67.2-2.7114.6I467 L468 S470 P471I467-R473 WeakPolarHBondContact CG2-O 3.33Å; I467-R473 WeakPolarHBondContact O-CA 3.46Å; L468-R473 PolarHBondContact O-NH1 3.45Å; S470-R473 PolarHBondContact O-N 3.41Å; S470-R473 WeakPolarHBondContact OG-CA 3.42Å; S470-R473 PolarHBondContact OG-N 3Å; P471-R473 PolarHBondContact O-N 3.38Å
474Q94.6Very high94.4Very high52 Ų5250.3 Ų50.324%0.24325%0.252CS..EExtended strand (participates in β ladder)trans-144.8141.2-178.571-168.4-6.700109.7S470 D472 V522 W523 T524S470-Q474 PolarHBondContact OG-N 2.99Å; S470-Q474 VanDerWaalsContact OG-N 3.13Å; S470-Q474 PolarHBondContact OG-O 3.28Å; D472-Q474 HydrophobicContact CB-CG 3.72Å; D472-Q474 PolarHBondContact O-N 3.02Å; D472-Q474 VanDerWaalsContact O-N 3.16Å; Q474-V522 HydrophobicContact CB-CB 4.17Å; Q474-V522 HydrophobicContact CB-CG2 3.97Å; Q474-V522 HydrophobicContact CG-CB 4.4Å; Q474-V522 HydrophobicContact CG-CG1 4.49Å; Q474-V522 HydrophobicContact CG-CG2 4.23Å; Q474-W523 WeakPolarHBondContact CA-O 3.34Å; Q474-T524 HydrophobicContact CB-CG2 3.77Å
475L96.1Very high94.3Very high20 Ų2049.8 Ų49.811%0.10525%0.254CS..EExtended strand (participates in β ladder)trans-140.7142.6174.6-70.8179.6000111.1A466 I467 E479 I480 W523A466-L475 HydrophobicContact CB-CD1 4.13Å; A466-L475 WeakPolarHBondContact O-CD1 3.48Å; I467-L475 HydrophobicContact CG1-CB 4.31Å; I467-L475 HydrophobicContact CG1-CD1 4.38Å; I467-L475 HydrophobicContact CG1-CG 4.5Å; L475-E479 HydrophobicContact CB-CB 4.23Å; L475-E479 HydrophobicContact CD2-CB 3.92Å; L475-I480 HydrophobicContact CB-CD1 4.37Å; L475-I480 HydrophobicContact CB-CG1 3.82Å; L475-I480 HydrophobicContact CD1-CG1 4.12Å; L475-W523 PolarHBondContact N-O 3.49Å; L475-W523 PolarHBondContact O-N 3.35Å
476T96.6Very high94.2Very high41 Ų4156.8 Ų56.825%0.25228%0.28SS..  trans-65.6160.1165.766.40000111N478 E479 I480 V522T476-N478 PolarHBondContact O-N 2.98Å; T476-E479 VanDerWaalsContact CB-OE2 3.23Å; T476-E479 WeakPolarHBondContact CB-OE2 3.37Å; T476-E479 VanDerWaalsContact CG2-OE2 3.3Å; T476-E479 WeakPolarHBondContact CG2-OE2 3.37Å; T476-E479 PolarHBondContact N-OE2 2.64Å; T476-E479 PolarHBondContact O-N 2.82Å; T476-E479 VanDerWaalsContact O-N 3.15Å; T476-E479 WeakPolarHBondContact OG1-CG 3.38Å; T476-E479 PolarHBondContact OG1-N 2.97Å; T476-E479 PolarHBondContact OG1-OE2 2.98Å; T476-I480 WeakPolarHBondContact O-CG1 3.48Å; T476-I480 PolarHBondContact O-N 3.49Å; T476-I480 VanDerWaalsContact O-N 3.07Å; T476-V522 HydrophobicContact CG2-CG1 3.99Å
477L95.8Very high93.8Very high49 Ų4958.9 Ų58.926%0.25729%0.289SS..Hα-helixtrans-56-33.6174.9-179.460.8000112.6Y481 V502 R503 L506L477-Y481 HydrophobicContact CD1-CD1 4.45Å; L477-Y481 HydrophobicContact CD1-CE1 3.7Å; L477-Y481 HydrophobicContact CD1-CE2 4.42Å; L477-Y481 HydrophobicContact CD2-CE2 4.42Å; L477-Y481 HydrophobicContact CG-CE1 4.13Å; L477-Y481 HydrophobicContact CG-CE2 3.94Å; L477-Y481 VanDerWaalsContact O-CG 3.29Å; L477-Y481 PolarHBondContact O-N 3.31Å; L477-Y481 VanDerWaalsContact O-N 3.14Å; L477-V502 HydrophobicContact CD1-CG1 4.35Å; L477-R503 HydrophobicContact CD1-CG 4.21Å; L477-R503 HydrophobicContact CD2-CG 4.11Å; L477-L506 HydrophobicContact CD1-CD1 3.55Å
478N95.4Very high93.7Very high97 Ų9758.9 Ų58.952%0.51929%0.289SS..Hα-helixtrans-72.2-39.7178.7-167.247.7000112.1T476 I480 Y481 N482T476-N478 PolarHBondContact O-N 2.98Å; N478-I480 VanDerWaalsContact C-N 3.33Å; N478-I480 PolarHBondContact O-N 3.36Å; N478-Y481 WeakPolarHBondContact O-CB 3.49Å; N478-Y481 PolarHBondContact O-N 3.43Å; N478-N482 VanDerWaalsContact O-CG 3.25Å; N478-N482 PolarHBondContact O-N 3.2Å; N478-N482 PolarHBondContact O-ND2 2.88Å
479E95.8Very high93.6Very high85 Ų8556.8 Ų56.840%0.39728%0.278SS..Hα-helixtrans-68.5-33.8176.4-68159.2123.900112L475 T476 N482 W483L475-E479 HydrophobicContact CB-CB 4.23Å; L475-E479 HydrophobicContact CD2-CB 3.92Å; T476-E479 VanDerWaalsContact CB-OE2 3.23Å; T476-E479 WeakPolarHBondContact CB-OE2 3.37Å; T476-E479 VanDerWaalsContact CG2-OE2 3.3Å; T476-E479 WeakPolarHBondContact CG2-OE2 3.37Å; T476-E479 PolarHBondContact N-OE2 2.64Å; T476-E479 PolarHBondContact O-N 2.82Å; T476-E479 VanDerWaalsContact O-N 3.15Å; T476-E479 WeakPolarHBondContact OG1-CG 3.38Å; T476-E479 PolarHBondContact OG1-N 2.97Å; T476-E479 PolarHBondContact OG1-OE2 2.98Å; E479-N482 CarbonylContact O-C 3.53Å; E479-N482 PolarHBondContact O-N 3.18Å; E479-W483 WeakPolarHBondContact O-CB 3.49Å; E479-W483 PolarHBondContact O-N 2.75Å
480I95.9Very high93.6Very high0 Ų056.4 Ų56.40%027%0.273CS..Hα-helixtrans-61.3-45.7169.7-63.2167.6000110I463 I467 L475 T476 N478 N482 W483 F484 V502 L506 W523I463-I480 HydrophobicContact CG1-CG2 4.36Å; I463-I480 HydrophobicContact CG2-CD1 4.43Å; I467-I480 HydrophobicContact CD1-CD1 4.16Å; I467-I480 HydrophobicContact CG1-CD1 4.26Å; I467-I480 HydrophobicContact CG1-CG1 4.48Å; L475-I480 HydrophobicContact CB-CD1 4.37Å; L475-I480 HydrophobicContact CB-CG1 3.82Å; L475-I480 HydrophobicContact CD1-CG1 4.12Å; T476-I480 WeakPolarHBondContact O-CG1 3.48Å; T476-I480 PolarHBondContact O-N 3.49Å; T476-I480 VanDerWaalsContact O-N 3.07Å; N478-I480 VanDerWaalsContact C-N 3.33Å; N478-I480 PolarHBondContact O-N 3.36Å; I480-N482 VanDerWaalsContact C-N 3.34Å; I480-N482 PolarHBondContact O-N 3.31Å; I480-W483 PolarHBondContact O-N 2.72Å; I480-F484 HydrophobicContact CG2-CD2 4.08Å; I480-F484 HydrophobicContact CG2-CE2 4.03Å; I480-F484 VanDerWaalsContact O-CD2 3.32Å; I480-F484 WeakPolarHBondContact O-CD2 3.27Å; I480-F484 PolarHBondContact O-N 3.25Å; I480-V502 HydrophobicContact CG2-CG1 3.95Å; I480-L506 HydrophobicContact CD1-CD1 4.26Å; I480-L506 HydrophobicContact CD1-CD2 4.33Å; I480-W523 HydrophobicContact CD1-CB 4.2Å; I480-W523 HydrophobicContact CD1-CG 4.46Å
481Y96Very high93.5Very high21 Ų2156 Ų568%0.08227%0.27CS..Hα-helixtrans-58.9-44.4173.9-62.1-23.4000112.3L477 N478 W483 F484 T485 W498 K499 V502 R503L477-Y481 HydrophobicContact CD1-CD1 4.45Å; L477-Y481 HydrophobicContact CD1-CE1 3.7Å; L477-Y481 HydrophobicContact CD1-CE2 4.42Å; L477-Y481 HydrophobicContact CD2-CE2 4.42Å; L477-Y481 HydrophobicContact CG-CE1 4.13Å; L477-Y481 HydrophobicContact CG-CE2 3.94Å; L477-Y481 VanDerWaalsContact O-CG 3.29Å; L477-Y481 PolarHBondContact O-N 3.31Å; L477-Y481 VanDerWaalsContact O-N 3.14Å; N478-Y481 WeakPolarHBondContact O-CB 3.49Å; N478-Y481 PolarHBondContact O-N 3.43Å; Y481-W483 VanDerWaalsContact C-N 3.31Å; Y481-W483 PolarHBondContact O-N 3.06Å; Y481-F484 PolarHBondContact O-N 3.12Å; Y481-T485 PolarHBondContact O-N 3.23Å; Y481-T485 VanDerWaalsContact O-N 3.14Å; Y481-T485 PolarHBondContact O-OG1 3.35Å; Y481-W498 HydrophobicContact CD1-CH2 4.24Å; Y481-W498 AromaticContact CD1-CZ3 3.78Å; Y481-W498 HydrophobicContact CD1-CZ3 3.78Å; Y481-W498 HydrophobicContact CG-CH2 4.39Å; Y481-W498 HydrophobicContact CG-CZ3 4.38Å; Y481-K499 HydrophobicContact CD1-CB 4.46Å; Y481-K499 HydrophobicContact CD1-CD 4.45Å; Y481-K499 HydrophobicContact CD1-CG 3.86Å; Y481-K499 HydrophobicContact CD2-CD 4.09Å; Y481-K499 HydrophobicContact CD2-CG 4.38Å; Y481-K499 HydrophobicContact CE1-CB 3.85Å; Y481-K499 HydrophobicContact CE1-CD 4.4Å; Y481-K499 HydrophobicContact CE1-CG 3.73Å; Y481-K499 HydrophobicContact CE2-CD 4.03Å; Y481-K499 HydrophobicContact CE2-CG 4.27Å; Y481-K499 HydrophobicContact CG-CD 4.29Å; Y481-K499 HydrophobicContact CG-CG 4.17Å; Y481-V502 HydrophobicContact CD1-CG1 4.35Å; Y481-V502 HydrophobicContact CE1-CB 4.26Å; Y481-V502 HydrophobicContact CE1-CG1 3.98Å; Y481-R503 WeakPolarHBondContact OH-CD 3.49Å; Y481-R503 VanDerWaalsContact OH-CG 3.26Å; Y481-R503 WeakPolarHBondContact OH-CG 3.4Å; Y481-R503 PolarHBondContact OH-NH1 3.26Å
482N95.1Very high93.6Very high72 Ų7256 Ų5639%0.38526%0.255SS..Hα-helixtrans-71.2-23.3179.7-66.6-19.7000113N478 E479 I480 T485 R486N478-N482 VanDerWaalsContact O-CG 3.25Å; N478-N482 PolarHBondContact O-N 3.2Å; N478-N482 PolarHBondContact O-ND2 2.88Å; E479-N482 CarbonylContact O-C 3.53Å; E479-N482 PolarHBondContact O-N 3.18Å; I480-N482 VanDerWaalsContact C-N 3.34Å; I480-N482 PolarHBondContact O-N 3.31Å; N482-T485 PolarHBondContact O-OG1 3.2Å; N482-R486 WeakPolarHBondContact O-CB 3.44Å; N482-R486 WeakPolarHBondContact O-CG 3.45Å; N482-R486 PolarHBondContact O-N 2.69Å; N482-R486 PolarHBondContact O-NE 2.95Å
483W94.9Very high93.3Very high13 Ų1358.4 Ų58.45%0.04926%0.255CS..Hα-helixtrans-71.5-47.4169.2-175.297.1000110.5L441 L462 H465 A466 E469 E479 I480 Y481 T485 R486 K487 F488L441-W483 HydrophobicContact CD2-CH2 4.07Å; L441-W483 HydrophobicContact CD2-CZ2 4.13Å; L462-W483 HydrophobicContact CB-CZ3 4.17Å; L462-W483 HydrophobicContact CD2-CH2 4.22Å; L462-W483 HydrophobicContact CD2-CZ3 4.4Å; H465-W483 HydrophobicContact CB-CH2 4.44Å; H465-W483 HydrophobicContact CB-CZ2 4.47Å; A466-W483 HydrophobicContact CB-CB 4.21Å; A466-W483 HydrophobicContact CB-CD2 3.4Å; A466-W483 HydrophobicContact CB-CE3 3.64Å; A466-W483 HydrophobicContact CB-CG 3.66Å; A466-W483 HydrophobicContact CB-CH2 4.38Å; A466-W483 HydrophobicContact CB-CZ2 4.19Å; A466-W483 HydrophobicContact CB-CZ3 4.11Å; E469-W483 PolarHBondContact OE2-NE1 2.86Å; E479-W483 WeakPolarHBondContact O-CB 3.49Å; E479-W483 PolarHBondContact O-N 2.75Å; I480-W483 PolarHBondContact O-N 2.72Å; Y481-W483 VanDerWaalsContact C-N 3.31Å; Y481-W483 PolarHBondContact O-N 3.06Å; W483-T485 PolarHBondContact O-N 3.5Å; W483-R486 PolarHBondContact O-N 3.45Å; W483-K487 HydrophobicContact CD2-CB 4.37Å; W483-K487 HydrophobicContact CE3-CB 4.49Å; W483-K487 HydrophobicContact CH2-CG 4.35Å; W483-K487 HydrophobicContact CZ2-CD 4.05Å; W483-K487 HydrophobicContact CZ2-CG 4.04Å; W483-K487 VanDerWaalsContact O-CB 3.25Å; W483-K487 WeakPolarHBondContact O-CB 3.47Å; W483-K487 PolarHBondContact O-N 3.43Å; W483-F488 HydrophobicContact CE3-CE2 4.41Å; W483-F488 AromaticContact CH2-CE2 3.92Å; W483-F488 HydrophobicContact CH2-CE2 3.92Å; W483-F488 HydrophobicContact CH2-CZ 4.35Å; W483-F488 AromaticContact CZ3-CE2 3.64Å; W483-F488 HydrophobicContact CZ3-CE2 3.64Å; W483-F488 HydrophobicContact CZ3-CZ 4.48Å
484F94.7Very high92.8Very high0 Ų056.4 Ų56.40%026%0.256CS..Hα-helixtrans-57.2-44.5178.8-91.6-111.4000112.8Y459 L462 I463 I480 Y481 F488 F491 W498 V502Y459-F484 AromaticContact CD1-CE1 3.73Å; Y459-F484 HydrophobicContact CD1-CE1 3.73Å; Y459-F484 HydrophobicContact CD1-CZ 4.07Å; Y459-F484 AromaticContact CE1-CE1 3.94Å; Y459-F484 HydrophobicContact CE1-CE1 3.94Å; L462-F484 HydrophobicContact CB-CE1 4.23Å; L462-F484 HydrophobicContact CB-CE2 4.17Å; L462-F484 HydrophobicContact CB-CZ 3.56Å; L462-F484 HydrophobicContact CD1-CE1 3.97Å; L462-F484 HydrophobicContact CD1-CZ 4.16Å; I463-F484 HydrophobicContact CG1-CE2 3.94Å; I463-F484 HydrophobicContact CG1-CZ 3.99Å; I480-F484 HydrophobicContact CG2-CD2 4.08Å; I480-F484 HydrophobicContact CG2-CE2 4.03Å; I480-F484 VanDerWaalsContact O-CD2 3.32Å; I480-F484 WeakPolarHBondContact O-CD2 3.27Å; I480-F484 PolarHBondContact O-N 3.25Å; Y481-F484 PolarHBondContact O-N 3.12Å; F484-F488 PolarHBondContact O-N 3.37Å; F484-F491 HydrophobicContact CB-CB 4.42Å; F484-F491 HydrophobicContact CB-CD2 4.31Å; F484-F491 HydrophobicContact CD1-CD1 4.31Å; F484-F491 AromaticContact CD1-CD2 3.47Å; F484-F491 HydrophobicContact CD1-CD2 3.47Å; F484-F491 VanDerWaalsContact CD1-CD2 3.47Å; F484-F491 HydrophobicContact CD1-CE1 4.33Å; F484-F491 AromaticContact CD1-CE2 3.53Å; F484-F491 HydrophobicContact CD1-CE2 3.53Å; F484-F491 AromaticContact CD1-CG 3.91Å; F484-F491 HydrophobicContact CD1-CG 3.91Å; F484-F491 AromaticContact CD1-CZ 3.97Å; F484-F491 HydrophobicContact CD1-CZ 3.97Å; F484-F491 HydrophobicContact CE1-CD2 4.23Å; F484-F491 AromaticContact CE1-CE2 3.8Å; F484-F491 HydrophobicContact CE1-CE2 3.8Å; F484-F491 AromaticContact CE1-CZ 3.96Å; F484-F491 HydrophobicContact CE1-CZ 3.96Å; F484-F491 HydrophobicContact CG-CD2 4.31Å; F484-W498 HydrophobicContact CB-CE3 4.47Å; F484-W498 HydrophobicContact CB-CH2 4.01Å; F484-W498 HydrophobicContact CB-CZ3 3.81Å; F484-W498 HydrophobicContact CD1-CE3 4.28Å; F484-W498 HydrophobicContact CD1-CZ3 4.36Å; F484-W498 HydrophobicContact CG-CZ3 4.17Å; F484-V502 HydrophobicContact CE1-CG2 4.12Å; F484-V502 HydrophobicContact CE2-CG2 4.37Å; F484-V502 HydrophobicContact CZ-CG2 4.04Å
485T93.5Very high92.5Very high37 Ų3757 Ų5723%0.22726%0.262CS..Hα-helixtrans-76.3-28.7-178.954.50000114.3Y481 N482 W483 R492 W498Y481-T485 PolarHBondContact O-N 3.23Å; Y481-T485 VanDerWaalsContact O-N 3.14Å; Y481-T485 PolarHBondContact O-OG1 3.35Å; N482-T485 PolarHBondContact O-OG1 3.2Å; W483-T485 PolarHBondContact O-N 3.5Å; T485-R492 WeakPolarHBondContact O-CG 3.42Å; T485-R492 PolarHBondContact O-NE 2.97Å; T485-W498 HydrophobicContact CG2-CH2 3.95Å; T485-W498 HydrophobicContact CG2-CZ2 3.65Å
486R92.4Very high92.1Very high168 Ų16859.5 Ų59.563%0.63429%0.286SS*.Hα-helixtrans-73.4-52.4173.1-75.1-178.8-62.2148.7-0.4111.3N482 W483 F488 R492N482-R486 WeakPolarHBondContact O-CB 3.44Å; N482-R486 WeakPolarHBondContact O-CG 3.45Å; N482-R486 PolarHBondContact O-N 2.69Å; N482-R486 PolarHBondContact O-NE 2.95Å; W483-R486 PolarHBondContact O-N 3.45Å; R486-F488 VanDerWaalsContact C-N 3.33Å; R486-F488 PolarHBondContact O-N 2.94Å; R486-R492 PolarHBondContact O-NH2 3.3Å
487K88.1Confident91.8Very high45 Ų4562.2 Ų62.220%0.19630%0.303CS..Hα-helixtrans-71.1-24.1-171.5-153.291.2173.9-163.40113.3L441 E469 W483L441-K487 HydrophobicContact CD2-CD 4.48Å; L441-K487 HydrophobicContact CD2-CG 4.08Å; E469-K487 IonicContact OE1-NZ 3.75Å; E469-K487 PolarHBondContact OE1-NZ 3.08Å; E469-K487 IonicContact OE2-NZ 3.85Å; E469-K487 PolarHBondContact OE2-NZ 3.42Å; W483-K487 HydrophobicContact CD2-CB 4.37Å; W483-K487 HydrophobicContact CE3-CB 4.49Å; W483-K487 HydrophobicContact CH2-CG 4.35Å; W483-K487 HydrophobicContact CZ2-CD 4.05Å; W483-K487 HydrophobicContact CZ2-CG 4.04Å; W483-K487 VanDerWaalsContact O-CB 3.25Å; W483-K487 WeakPolarHBondContact O-CB 3.47Å; W483-K487 PolarHBondContact O-N 3.43Å
488F92.3Very high91.8Very high1 Ų160.3 Ų60.30%0.00429%0.293CS..  trans-136.1133.2-176.6-54.6-76000112.6L441 Y448 P455 L462 W483 F484 R486 F491L441-F488 HydrophobicContact CD1-CE1 3.55Å; L441-F488 HydrophobicContact CD1-CZ 3.68Å; L441-F488 HydrophobicContact CD2-CZ 3.93Å; L441-F488 HydrophobicContact CG-CZ 4.5Å; Y448-F488 HydrophobicContact CD1-CD1 4.27Å; Y448-F488 HydrophobicContact CD1-CE1 4.38Å; Y448-F488 HydrophobicContact CG-CD1 4.12Å; Y448-F488 HydrophobicContact CG-CE1 4.05Å; Y448-F488 CarbonylContact O-C 3.56Å; Y448-F488 WeakPolarHBondContact O-CA 3.48Å; P455-F488 HydrophobicContact CB-CD1 4.24Å; P455-F488 HydrophobicContact CB-CE1 3.86Å; P455-F488 HydrophobicContact CB-CZ 4.43Å; P455-F488 HydrophobicContact CG-CD1 3.18Å; P455-F488 HydrophobicContact CG-CD2 4.47Å; P455-F488 HydrophobicContact CG-CE1 3.27Å; P455-F488 HydrophobicContact CG-CG 3.85Å; P455-F488 HydrophobicContact CG-CZ 3.99Å; L462-F488 HydrophobicContact CD1-CE2 4.4Å; L462-F488 HydrophobicContact CD2-CE2 3.96Å; L462-F488 HydrophobicContact CD2-CZ 3.65Å; W483-F488 HydrophobicContact CE3-CE2 4.41Å; W483-F488 AromaticContact CH2-CE2 3.92Å; W483-F488 HydrophobicContact CH2-CE2 3.92Å; W483-F488 HydrophobicContact CH2-CZ 4.35Å; W483-F488 AromaticContact CZ3-CE2 3.64Å; W483-F488 HydrophobicContact CZ3-CE2 3.64Å; W483-F488 HydrophobicContact CZ3-CZ 4.48Å; F484-F488 PolarHBondContact O-N 3.37Å; R486-F488 VanDerWaalsContact C-N 3.33Å; R486-F488 PolarHBondContact O-N 2.94Å; F488-F491 HydrophobicContact CB-CD2 3.7Å; F488-F491 HydrophobicContact CB-CE2 4.29Å; F488-F491 AromaticContact CD2-CD2 3.79Å; F488-F491 HydrophobicContact CD2-CD2 3.79Å; F488-F491 AromaticContact CD2-CE2 3.92Å; F488-F491 HydrophobicContact CD2-CE2 3.92Å; F488-F491 AromaticContact CG-CD2 3.96Å; F488-F491 HydrophobicContact CG-CD2 3.96Å; F488-F491 HydrophobicContact CG-CE2 4.14Å
489A90.6Very high91.7Very high2 Ų258.5 Ų58.52%0.01728%0.28CS..SBendtrans-67-41.7172.600000112.2Y448 D452 F491 R492Y448-A489 PolarHBondContact O-N 3.48Å; D452-A489 WeakPolarHBondContact OD1-CB 3.46Å; A489-F491 PolarHBondContact O-N 3.36Å; A489-F491 VanDerWaalsContact O-N 3.08Å; A489-R492 VanDerWaalsContact O-CB 3.28Å; A489-R492 WeakPolarHBondContact O-CB 3.4Å; A489-R492 WeakPolarHBondContact O-CG 3.39Å; A489-R492 PolarHBondContact O-N 2.91Å
490Y90.7Very high91.7Very high87 Ų8755.6 Ų55.634%0.34127%0.273SS..G310 helixtrans-49.3-38.4-178.8177.8-103.2000114.6D452 R454 R492D452-Y490 WeakPolarHBondContact O-CD2 3.47Å; R454-Y490 HydrophobicContact CB-CD1 4.04Å; R454-Y490 HydrophobicContact CB-CD2 4.11Å; R454-Y490 HydrophobicContact CB-CE1 3.82Å; R454-Y490 HydrophobicContact CB-CE2 3.9Å; R454-Y490 HydrophobicContact CB-CG 4.18Å; R454-Y490 HydrophobicContact CG-CD1 4.15Å; R454-Y490 HydrophobicContact CG-CE1 3.72Å; Y490-R492 VanDerWaalsContact C-N 3.33Å; Y490-R492 PolarHBondContact O-N 3.44Å
491F90.9Very high91.7Very high4 Ų456.4 Ų56.42%0.01828%0.282CS..G310 helixtrans-84.20.3-179.3-62.5-59.8000114.2P455 Y459 L462 F484 F488 A489 W498P455-F491 HydrophobicContact CG-CE2 4.29Å; Y459-F491 AromaticContact CE1-CE1 3.92Å; Y459-F491 HydrophobicContact CE1-CE1 3.92Å; Y459-F491 HydrophobicContact CE1-CZ 4.09Å; L462-F491 HydrophobicContact CD1-CE2 4.23Å; L462-F491 HydrophobicContact CD1-CZ 4.45Å; F484-F491 HydrophobicContact CB-CB 4.42Å; F484-F491 HydrophobicContact CB-CD2 4.31Å; F484-F491 HydrophobicContact CD1-CD1 4.31Å; F484-F491 AromaticContact CD1-CD2 3.47Å; F484-F491 HydrophobicContact CD1-CD2 3.47Å; F484-F491 VanDerWaalsContact CD1-CD2 3.47Å; F484-F491 HydrophobicContact CD1-CE1 4.33Å; F484-F491 AromaticContact CD1-CE2 3.53Å; F484-F491 HydrophobicContact CD1-CE2 3.53Å; F484-F491 AromaticContact CD1-CG 3.91Å; F484-F491 HydrophobicContact CD1-CG 3.91Å; F484-F491 AromaticContact CD1-CZ 3.97Å; F484-F491 HydrophobicContact CD1-CZ 3.97Å; F484-F491 HydrophobicContact CE1-CD2 4.23Å; F484-F491 AromaticContact CE1-CE2 3.8Å; F484-F491 HydrophobicContact CE1-CE2 3.8Å; F484-F491 AromaticContact CE1-CZ 3.96Å; F484-F491 HydrophobicContact CE1-CZ 3.96Å; F484-F491 HydrophobicContact CG-CD2 4.31Å; F488-F491 HydrophobicContact CB-CD2 3.7Å; F488-F491 HydrophobicContact CB-CE2 4.29Å; F488-F491 AromaticContact CD2-CD2 3.79Å; F488-F491 HydrophobicContact CD2-CD2 3.79Å; F488-F491 AromaticContact CD2-CE2 3.92Å; F488-F491 HydrophobicContact CD2-CE2 3.92Å; F488-F491 AromaticContact CG-CD2 3.96Å; F488-F491 HydrophobicContact CG-CD2 3.96Å; F488-F491 HydrophobicContact CG-CE2 4.14Å; A489-F491 PolarHBondContact O-N 3.36Å; A489-F491 VanDerWaalsContact O-N 3.08Å; F491-W498 HydrophobicContact CB-CD2 4.24Å; F491-W498 HydrophobicContact CB-CG 4.49Å; F491-W498 HydrophobicContact CB-CZ2 4.25Å; F491-W498 HydrophobicContact CD1-CB 3.8Å; F491-W498 AromaticContact CD1-CD1 3.84Å; F491-W498 HydrophobicContact CD1-CD2 4.01Å; F491-W498 AromaticContact CD1-CG 3.63Å; F491-W498 HydrophobicContact CD1-CG 3.63Å; F491-W498 HydrophobicContact CE1-CB 4.02Å; F491-W498 HydrophobicContact CE1-CG 4.34Å; F491-W498 HydrophobicContact CG-CD2 4.43Å; F491-W498 HydrophobicContact CG-CG 4.45Å; F491-W498 VanDerWaalsContact O-CE2 3.22Å; F491-W498 VanDerWaalsContact O-CZ2 3.32Å; F491-W498 WeakPolarHBondContact O-CZ2 3.43Å; F491-W498 PolarHBondContact O-NE1 3.24Å
492R91.4Very high91.7Very high119 Ų11955.4 Ų55.445%0.44928%0.278SS..G310 helixtrans-73.8-27.9175.6-61177.1-170.6141.19112.3K449 T485 R486 A489 Y490K449-R492 VanDerWaalsContact O-CZ 3.31Å; K449-R492 PolarHBondContact O-NH1 2.93Å; K449-R492 PolarHBondContact O-NH2 2.99Å; T485-R492 WeakPolarHBondContact O-CG 3.42Å; T485-R492 PolarHBondContact O-NE 2.97Å; R486-R492 PolarHBondContact O-NH2 3.3Å; A489-R492 VanDerWaalsContact O-CB 3.28Å; A489-R492 WeakPolarHBondContact O-CB 3.4Å; A489-R492 WeakPolarHBondContact O-CG 3.39Å; A489-R492 PolarHBondContact O-N 2.91Å; Y490-R492 VanDerWaalsContact C-N 3.33Å; Y490-R492 PolarHBondContact O-N 3.44Å
493R85.8Confident91.8Very high165 Ų16557.9 Ų57.962%0.62328%0.282SS*.SBendtrans-95.8163.4175-53.7-165.5-166.4101.111.8111.5D452 T495D452-R493 IonicContact OD1-CZ 3.68Å; D452-R493 IonicContact OD1-NH1 2.79Å; D452-R493 PolarHBondContact OD1-NH1 3.34Å; D452-R493 IonicContact OD1-NH2 3.78Å; D452-R493 IonicContact OD2-CZ 3.63Å; D452-R493 IonicContact OD2-NH1 2.71Å; D452-R493 PolarHBondContact OD2-NH1 2.86Å; D452-R493 IonicContact OD2-NH2 2.84Å; D452-R493 PolarHBondContact OD2-NH2 3.01Å; R493-T495 PolarHBondContact O-N 3.35Å
494N81.9Confident91.9Very high107 Ų10762.4 Ų62.457%0.57230%0.303SS*.  trans39.369.6-179.3-1751.4000113.9A496 T497N494-A496 VanDerWaalsContact C-N 3.27Å; N494-A496 PolarHBondContact O-N 2.95Å; N494-T497 PolarHBondContact ND2-OG1 2.92Å; N494-T497 PolarHBondContact OD1-OG1 3.44Å
495T87.9Confident92Very high63 Ų6363.4 Ų63.439%0.38731%0.308SS..Hα-helixtrans-70.9-19.3-173.376.30000114.5R493 K499R493-T495 PolarHBondContact O-N 3.35Å; T495-K499 WeakPolarHBondContact O-CB 3.36Å; T495-K499 WeakPolarHBondContact O-CD 3.41Å; T495-K499 WeakPolarHBondContact O-CG 3.37Å; T495-K499 PolarHBondContact O-N 3.36Å
496A89.1Confident92.1Very high73 Ų7361.8 Ų61.860%0.60330%0.298SS*.Hα-helixtrans-65.7-53.5-17900000111.9N494 G500N494-A496 VanDerWaalsContact C-N 3.27Å; N494-A496 PolarHBondContact O-N 2.95Å; A496-G500 PolarHBondContact O-N 3.03Å; A496-G500 VanDerWaalsContact O-N 3.07Å
497T90.3Very high92.2Very high99 Ų9958.3 Ų58.361%0.60730%0.3SS*.Hα-helixtrans-61.7-50.2-172.8-53.30000112.4N494 G500 G501N494-T497 PolarHBondContact ND2-OG1 2.92Å; N494-T497 PolarHBondContact OD1-OG1 3.44Å; T497-G500 PolarHBondContact O-N 3.42Å; T497-G501 PolarHBondContact O-N 3.26Å; T497-G501 VanDerWaalsContact O-N 3.13Å
498W94Very high92.5Very high9 Ų960.4 Ų60.43%0.03431%0.313CS..Hα-helixtrans-77.3-33.3-175.970.2-105000113.1Y459 Y481 F484 T485 F491 G500 G501 V502Y459-W498 HydrophobicContact CE1-CB 4.31Å; Y459-W498 WeakPolarHBondContact OH-CB 3.3Å; Y481-W498 HydrophobicContact CD1-CH2 4.24Å; Y481-W498 AromaticContact CD1-CZ3 3.78Å; Y481-W498 HydrophobicContact CD1-CZ3 3.78Å; Y481-W498 HydrophobicContact CG-CH2 4.39Å; Y481-W498 HydrophobicContact CG-CZ3 4.38Å; F484-W498 HydrophobicContact CB-CE3 4.47Å; F484-W498 HydrophobicContact CB-CH2 4.01Å; F484-W498 HydrophobicContact CB-CZ3 3.81Å; F484-W498 HydrophobicContact CD1-CE3 4.28Å; F484-W498 HydrophobicContact CD1-CZ3 4.36Å; F484-W498 HydrophobicContact CG-CZ3 4.17Å; T485-W498 HydrophobicContact CG2-CH2 3.95Å; T485-W498 HydrophobicContact CG2-CZ2 3.65Å; F491-W498 HydrophobicContact CB-CD2 4.24Å; F491-W498 HydrophobicContact CB-CG 4.49Å; F491-W498 HydrophobicContact CB-CZ2 4.25Å; F491-W498 HydrophobicContact CD1-CB 3.8Å; F491-W498 AromaticContact CD1-CD1 3.84Å; F491-W498 HydrophobicContact CD1-CD2 4.01Å; F491-W498 AromaticContact CD1-CG 3.63Å; F491-W498 HydrophobicContact CD1-CG 3.63Å; F491-W498 HydrophobicContact CE1-CB 4.02Å; F491-W498 HydrophobicContact CE1-CG 4.34Å; F491-W498 HydrophobicContact CG-CD2 4.43Å; F491-W498 HydrophobicContact CG-CG 4.45Å; F491-W498 VanDerWaalsContact O-CE2 3.22Å; F491-W498 VanDerWaalsContact O-CZ2 3.32Å; F491-W498 WeakPolarHBondContact O-CZ2 3.43Å; F491-W498 PolarHBondContact O-NE1 3.24Å; W498-G500 VanDerWaalsContact C-N 3.27Å; W498-G500 PolarHBondContact O-N 3.3Å; W498-G501 PolarHBondContact O-N 3.15Å; W498-G501 VanDerWaalsContact O-N 3.16Å; W498-V502 HydrophobicContact CE3-CG2 4.08Å; W498-V502 HydrophobicContact CZ3-CG2 4.44Å; W498-V502 WeakPolarHBondContact O-CG2 3.49Å; W498-V502 PolarHBondContact O-N 3.4Å
499K95Very high92.6Very high58 Ų5862.3 Ų62.325%0.25232%0.321SS..Hα-helixtrans-64.4-34.6173-70.7178.7176.31730111.5Y481 T495 R503Y481-K499 HydrophobicContact CD1-CB 4.46Å; Y481-K499 HydrophobicContact CD1-CD 4.45Å; Y481-K499 HydrophobicContact CD1-CG 3.86Å; Y481-K499 HydrophobicContact CD2-CD 4.09Å; Y481-K499 HydrophobicContact CD2-CG 4.38Å; Y481-K499 HydrophobicContact CE1-CB 3.85Å; Y481-K499 HydrophobicContact CE1-CD 4.4Å; Y481-K499 HydrophobicContact CE1-CG 3.73Å; Y481-K499 HydrophobicContact CE2-CD 4.03Å; Y481-K499 HydrophobicContact CE2-CG 4.27Å; Y481-K499 HydrophobicContact CG-CD 4.29Å; Y481-K499 HydrophobicContact CG-CG 4.17Å; T495-K499 WeakPolarHBondContact O-CB 3.36Å; T495-K499 WeakPolarHBondContact O-CD 3.41Å; T495-K499 WeakPolarHBondContact O-CG 3.37Å; T495-K499 PolarHBondContact O-N 3.36Å; K499-R503 WeakPolarHBondContact O-CG 3.13Å; K499-R503 PolarHBondContact O-N 3.04Å
500G95.9Very high92.7Very high25 Ų2569.5 Ų69.526%0.25835%0.352SS..Hα-helixtrans-59.8-50.3168.700000112.1A496 T497 W498 V502 R503 H504A496-G500 PolarHBondContact O-N 3.03Å; A496-G500 VanDerWaalsContact O-N 3.07Å; T497-G500 PolarHBondContact O-N 3.42Å; W498-G500 VanDerWaalsContact C-N 3.27Å; W498-G500 PolarHBondContact O-N 3.3Å; G500-V502 VanDerWaalsContact C-N 3.35Å; G500-V502 PolarHBondContact O-N 2.92Å; G500-R503 PolarHBondContact O-N 3.35Å; G500-H504 WeakPolarHBondContact O-CB 3.38Å; G500-H504 PolarHBondContact O-N 3.48Å
501G95.3Very high92.9Very high17 Ų1765.4 Ų65.418%0.17534%0.336CS..Hα-helixtrans-57.2-41.6175.600000114T497 W498 H504 N505T497-G501 PolarHBondContact O-N 3.26Å; T497-G501 VanDerWaalsContact O-N 3.13Å; W498-G501 PolarHBondContact O-N 3.15Å; W498-G501 VanDerWaalsContact O-N 3.16Å; G501-H504 PolarHBondContact O-N 3.4Å; G501-N505 PolarHBondContact O-N 3.35Å; G501-N505 PolarHBondContact O-ND2 3.47Å
502V96.5Very high93.1Very high0 Ų065.7 Ų65.70%034%0.337CS..Hα-helixtrans-64-48.2175.9168.90000111.5Y459 I463 L477 I480 Y481 F484 W498 G500 H504 N505 L506Y459-V502 HydrophobicContact CD1-CG2 3.97Å; Y459-V502 HydrophobicContact CE1-CG2 4.24Å; I463-V502 HydrophobicContact CD1-CB 4.43Å; I463-V502 HydrophobicContact CD1-CG1 4.06Å; I463-V502 HydrophobicContact CD1-CG2 4.39Å; I463-V502 HydrophobicContact CG1-CG1 4.37Å; L477-V502 HydrophobicContact CD1-CG1 4.35Å; I480-V502 HydrophobicContact CG2-CG1 3.95Å; Y481-V502 HydrophobicContact CD1-CG1 4.35Å; Y481-V502 HydrophobicContact CE1-CB 4.26Å; Y481-V502 HydrophobicContact CE1-CG1 3.98Å; F484-V502 HydrophobicContact CE1-CG2 4.12Å; F484-V502 HydrophobicContact CE2-CG2 4.37Å; F484-V502 HydrophobicContact CZ-CG2 4.04Å; W498-V502 HydrophobicContact CE3-CG2 4.08Å; W498-V502 HydrophobicContact CZ3-CG2 4.44Å; W498-V502 WeakPolarHBondContact O-CG2 3.49Å; W498-V502 PolarHBondContact O-N 3.4Å; G500-V502 VanDerWaalsContact C-N 3.35Å; G500-V502 PolarHBondContact O-N 2.92Å; V502-H504 VanDerWaalsContact C-N 3.33Å; V502-H504 PolarHBondContact O-N 3.26Å; V502-N505 PolarHBondContact O-N 3.42Å; V502-L506 HydrophobicContact CG1-CD1 4.02Å; V502-L506 WeakPolarHBondContact O-CG 3.48Å; V502-L506 PolarHBondContact O-N 3.03Å
503R96.8Very high93.3Very high124 Ų12462.9 Ų62.947%0.46833%0.334SS..Hα-helixtrans-58.7-44.6176.5-71.9-173.1-60.3-966.8111.9L477 Y481 K499 G500 L506 S507L477-R503 HydrophobicContact CD1-CG 4.21Å; L477-R503 HydrophobicContact CD2-CG 4.11Å; Y481-R503 WeakPolarHBondContact OH-CD 3.49Å; Y481-R503 VanDerWaalsContact OH-CG 3.26Å; Y481-R503 WeakPolarHBondContact OH-CG 3.4Å; Y481-R503 PolarHBondContact OH-NH1 3.26Å; K499-R503 WeakPolarHBondContact O-CG 3.13Å; K499-R503 PolarHBondContact O-N 3.04Å; G500-R503 PolarHBondContact O-N 3.35Å; R503-L506 PolarHBondContact O-N 3.32Å; R503-S507 PolarHBondContact O-N 3.45Å; R503-S507 VanDerWaalsContact O-N 3.15Å; R503-S507 PolarHBondContact O-OG 3.33Å
504H96.4Very high93.8Very high108 Ų10862.5 Ų62.550%0.533%0.332SS..Hα-helixtrans-61.6-42.4176.6175.466.8000112.4G500 G501 V502 L506 S507 L508G500-H504 WeakPolarHBondContact O-CB 3.38Å; G500-H504 PolarHBondContact O-N 3.48Å; G501-H504 PolarHBondContact O-N 3.4Å; V502-H504 VanDerWaalsContact C-N 3.33Å; V502-H504 PolarHBondContact O-N 3.26Å; H504-L506 PolarHBondContact O-N 2.88Å; H504-S507 PolarHBondContact O-N 2.97Å; H504-S507 PolarHBondContact O-OG 3.02Å; H504-L508 WeakPolarHBondContact O-CB 3.48Å; H504-L508 PolarHBondContact O-N 3.33Å
505N96.4Very high94.4Very high20 Ų2060.1 Ų60.111%0.10732%0.321CS..Hα-helixtrans-64.7-39.4178-86.6-114000112.3Y459 A460 I463 G501 V502 L508 H509 F512Y459-N505 WeakPolarHBondContact CB-OD1 3.36Å; A460-N505 PolarHBondContact N-OD1 3.06Å; I463-N505 HydrophobicContact CD1-CB 3.73Å; G501-N505 PolarHBondContact O-N 3.35Å; G501-N505 PolarHBondContact O-ND2 3.47Å; V502-N505 PolarHBondContact O-N 3.42Å; N505-L508 PolarHBondContact O-N 3.48Å; N505-H509 PolarHBondContact O-CD2 3.44Å; N505-H509 PolarHBondContact O-N 3.34Å; N505-F512 WeakPolarHBondContact O-CD2 3.49Å
506L96.3Very high94.7Very high3 Ų364.7 Ų64.72%0.01634%0.338CS..Hα-helixtrans-64-36.3176.8-72.1167.4000112.5I463 L477 I480 V502 R503 H504 F512 W523I463-L506 HydrophobicContact CD1-CG 4.46Å; I463-L506 HydrophobicContact CG2-CD2 3.66Å; I463-L506 HydrophobicContact CG2-CG 4.45Å; L477-L506 HydrophobicContact CD1-CD1 3.55Å; I480-L506 HydrophobicContact CD1-CD1 4.26Å; I480-L506 HydrophobicContact CD1-CD2 4.33Å; V502-L506 HydrophobicContact CG1-CD1 4.02Å; V502-L506 WeakPolarHBondContact O-CG 3.48Å; V502-L506 PolarHBondContact O-N 3.03Å; R503-L506 PolarHBondContact O-N 3.32Å; H504-L506 PolarHBondContact O-N 2.88Å; L506-F512 HydrophobicContact CD2-CB 3.86Å; L506-F512 HydrophobicContact CD2-CD1 4.17Å; L506-F512 HydrophobicContact CD2-CD2 4.14Å; L506-F512 HydrophobicContact CD2-CG 3.79Å; L506-W523 HydrophobicContact CB-CD2 4.34Å; L506-W523 HydrophobicContact CB-CE3 4.22Å; L506-W523 HydrophobicContact CB-CH2 3.94Å; L506-W523 HydrophobicContact CB-CZ2 4.07Å; L506-W523 HydrophobicContact CB-CZ3 4.01Å; L506-W523 HydrophobicContact CD1-CD2 4.27Å; L506-W523 HydrophobicContact CD1-CG 4.4Å; L506-W523 HydrophobicContact CD1-CZ2 4.49Å; L506-W523 HydrophobicContact CD2-CB 4.28Å; L506-W523 HydrophobicContact CD2-CD2 3.86Å; L506-W523 HydrophobicContact CD2-CE3 3.94Å; L506-W523 HydrophobicContact CD2-CG 4.01Å; L506-W523 HydrophobicContact CG-CD2 4.39Å; L506-W523 WeakPolarHBondContact O-CZ3 3.45Å
507S95.3Very high94.6Very high95 Ų9564.2 Ų64.266%0.66433%0.326SS*.Hα-helixtrans-84.1-27.8175.857.80000114.5R503 H504R503-S507 PolarHBondContact O-N 3.45Å; R503-S507 VanDerWaalsContact O-N 3.15Å; R503-S507 PolarHBondContact O-OG 3.33Å; H504-S507 PolarHBondContact O-N 2.97Å; H504-S507 PolarHBondContact O-OG 3.02Å
508L94.4Very high94.2Very high90 Ų9066.2 Ų66.247%0.47134%0.338SS..Hα-helixtrans-77.5-34.3-176.9-178.469.6000113.5H504 N505H504-L508 WeakPolarHBondContact O-CB 3.48Å; H504-L508 PolarHBondContact O-N 3.33Å; N505-L508 PolarHBondContact O-N 3.48Å
509H93.4Very high93.6Very high40 Ų4075.2 Ų75.219%0.18538%0.377CS..  trans-106108.6-171.2-61.3-50000111.3N505 C511 F512 R533N505-H509 PolarHBondContact O-CD2 3.44Å; N505-H509 PolarHBondContact O-N 3.34Å; H509-C511 PolarHBondContact O-N 3.33Å; H509-F512 HydrophobicContact CB-CD2 3.84Å; H509-F512 HydrophobicContact CB-CE2 4.01Å; H509-F512 PolarHBondContact O-N 2.96Å; H509-R533 PolarHBondContact ND1-NH1 3.05Å
510K92.7Very high93.4Very high154 Ų15474.1 Ų74.167%0.6738%0.382SS*.THydrogen-bonded Turntrans-49-20.4176.6-72.3-172.6174.7-171.30115.5F512 E529 R533K510-F512 VanDerWaalsContact C-N 3.25Å; K510-F512 PolarHBondContact O-N 3.24Å; K510-E529 HydrophobicContact CB-CG 3.75Å; K510-E529 WeakPolarHBondContact CB-OE1 3.17Å; K510-R533 VanDerWaalsContact N-NH2 3.2Å
511C94.1Very high93.3Very high1 Ų173.8 Ų73.81%0.00738%0.377CS..THydrogen-bonded Turntrans-74.8-10.5175.458.20000114.1H509 V525 D526 E529 Y530H509-C511 PolarHBondContact O-N 3.33Å; C511-V525 CarbonylContact O-C 3.59Å; C511-V525 VanDerWaalsContact O-CA 3.27Å; C511-V525 WeakPolarHBondContact O-CA 3.38Å; C511-D526 WeakPolarHBondContact CB-O 3.4Å; C511-D526 PolarHBondContact O-N 3.35Å; C511-E529 HydrophobicContact CB-CB 4.13Å; C511-E529 HydrophobicContact CB-CG 4.12Å; C511-Y530 HydrophobicContact CB-CD2 4.48Å
512F96.8Very high93.3Very high9 Ų973.4 Ų73.44%0.03937%0.371CS..EExtended strand (participates in β ladder)trans-98.1114.8166.2-57.9-57.2000108.8A460 I463 R464 I467 N505 L506 H509 K510 W523 T524 V525A460-F512 HydrophobicContact CB-CE2 4.15Å; A460-F512 HydrophobicContact CB-CZ 4.24Å; A460-F512 WeakPolarHBondContact O-CZ 3.29Å; I463-F512 HydrophobicContact CB-CE1 4.1Å; I463-F512 HydrophobicContact CB-CZ 3.87Å; I463-F512 HydrophobicContact CG2-CD1 3.97Å; I463-F512 HydrophobicContact CG2-CE1 3.51Å; I463-F512 HydrophobicContact CG2-CE2 4.29Å; I463-F512 HydrophobicContact CG2-CZ 3.7Å; R464-F512 HydrophobicContact CB-CE1 4.27Å; I467-F512 HydrophobicContact CD1-CD1 4.17Å; I467-F512 HydrophobicContact CD1-CE1 4.43Å; N505-F512 WeakPolarHBondContact O-CD2 3.49Å; L506-F512 HydrophobicContact CD2-CB 3.86Å; L506-F512 HydrophobicContact CD2-CD1 4.17Å; L506-F512 HydrophobicContact CD2-CD2 4.14Å; L506-F512 HydrophobicContact CD2-CG 3.79Å; H509-F512 HydrophobicContact CB-CD2 3.84Å; H509-F512 HydrophobicContact CB-CE2 4.01Å; H509-F512 PolarHBondContact O-N 2.96Å; K510-F512 VanDerWaalsContact C-N 3.25Å; K510-F512 PolarHBondContact O-N 3.24Å; F512-W523 HydrophobicContact CB-CE3 4.1Å; F512-W523 HydrophobicContact CB-CZ3 4.39Å; F512-T524 WeakPolarHBondContact CA-O 3.26Å; F512-V525 HydrophobicContact CD1-CG2 4.01Å; F512-V525 HydrophobicContact CE1-CG2 3.96Å
513V95.7Very high93.4Very high61 Ų6175.2 Ų75.237%0.3738%0.378SS..EExtended strand (participates in β ladder)trans-108.1129.1-178.5-178.10000108.3V515 W523 T524V513-V515 HydrophobicContact CG1-CG2 4.15Å; V513-W523 WeakPolarHBondContact O-CA 3.44Å; V513-T524 PolarHBondContact N-O 3.25Å; V513-T524 VanDerWaalsContact N-O 3.12Å; V513-T524 PolarHBondContact O-N 3Å; V513-T524 PolarHBondContact O-OG1 3.36Å
514R96Very high93.3Very high156 Ų15670.9 Ų70.959%0.58937%0.365SS*.EExtended strand (participates in β ladder)trans-81.4119.6169.9178.6-178167.5102.1-5.6108A521 V522 W523R514-A521 HydrophobicContact CG-CB 3.99Å; R514-A521 VanDerWaalsContact NH2-CB 3.34Å; R514-V522 WeakPolarHBondContact CA-O 3.4Å; R514-W523 HydrophobicContact CB-CD2 4.39Å; R514-W523 HydrophobicContact CB-CE3 4.06Å; R514-W523 HydrophobicContact CB-CH2 4.06Å; R514-W523 HydrophobicContact CB-CZ2 4.37Å; R514-W523 HydrophobicContact CB-CZ3 3.9Å
515V94.8Very high93.3Very high57 Ų5766.8 Ų66.835%0.34535%0.348SS..EExtended strand (participates in β ladder)trans-113.2134.9176.9-1780000108.3V513 A521 V522 T524V513-V515 HydrophobicContact CG1-CG2 4.15Å; V515-A521 CarbonylContact O-C 3.57Å; V515-A521 WeakPolarHBondContact O-CA 3.44Å; V515-V522 HydrophobicContact CB-CG2 4.09Å; V515-V522 PolarHBondContact N-O 3Å; V515-V522 PolarHBondContact O-N 2.84Å; V515-T524 HydrophobicContact CB-CG2 4.42Å; V515-T524 HydrophobicContact CG2-CG2 3.81Å
516E94.1Very high93.2Very high159 Ų15968.7 Ų68.774%0.74336%0.358SS*.  trans-81.1134174.4-164.8126.2-11200109.9
517N86Confident92.9Very high63 Ų6371.2 Ų71.234%0.33737%0.37SS..  trans-131.7160.8178.9-173.14.9000108.5K519 G520 V522N517-K519 PolarHBondContact O-N 3.04Å; N517-G520 WeakPolarHBondContact CB-O 3.46Å; N517-G520 PolarHBondContact N-O 3.04Å; N517-G520 CarbonylContact O-C 3.56Å; N517-G520 WeakPolarHBondContact O-CA 3.41Å; N517-G520 PolarHBondContact O-N 3.22Å; N517-V522 HydrophobicContact CB-CG1 4.5Å; N517-V522 HydrophobicContact CB-CG2 4.41Å
518V82.4Confident92.6Very high142 Ų14271.1 Ų71.186%0.86137%0.365SS*.THydrogen-bonded Turntrans-63.5-7-173.7-58.90000114.7
519K81.9Confident92.4Very high198 Ų19868.3 Ų68.386%0.86135%0.35SS*.THydrogen-bonded Turntrans-113.619173.5-62.6-177.6-179.1177.10112.8N517N517-K519 PolarHBondContact O-N 3.04Å
520G90.3Very high92Very high35 Ų3567.2 Ų67.236%0.36134%0.344SS..SBendtrans96.8176.7-171.700000113N517N517-G520 WeakPolarHBondContact CB-O 3.46Å; N517-G520 PolarHBondContact N-O 3.04Å; N517-G520 CarbonylContact O-C 3.56Å; N517-G520 WeakPolarHBondContact O-CA 3.41Å; N517-G520 PolarHBondContact O-N 3.22Å
521A93.5Very high91.7Very high18 Ų1865.1 Ų65.115%0.14934%0.337CS..  trans-80.2138.1-168.700000115R514 V515R514-A521 HydrophobicContact CG-CB 3.99Å; R514-A521 VanDerWaalsContact NH2-CB 3.34Å; V515-A521 CarbonylContact O-C 3.57Å; V515-A521 WeakPolarHBondContact O-CA 3.44Å
522V96.2Very high91.2Very high9 Ų971.5 Ų71.56%0.05536%0.364CS..EExtended strand (participates in β ladder)trans-110.9165.4176.3-64.40000111Q474 T476 R514 V515 N517Q474-V522 HydrophobicContact CB-CB 4.17Å; Q474-V522 HydrophobicContact CB-CG2 3.97Å; Q474-V522 HydrophobicContact CG-CB 4.4Å; Q474-V522 HydrophobicContact CG-CG1 4.49Å; Q474-V522 HydrophobicContact CG-CG2 4.23Å; T476-V522 HydrophobicContact CG2-CG1 3.99Å; R514-V522 WeakPolarHBondContact CA-O 3.4Å; V515-V522 HydrophobicContact CB-CG2 4.09Å; V515-V522 PolarHBondContact N-O 3Å; V515-V522 PolarHBondContact O-N 2.84Å; N517-V522 HydrophobicContact CB-CG1 4.5Å; N517-V522 HydrophobicContact CB-CG2 4.41Å
523W97.3Very high89.8Confident38 Ų3876.3 Ų76.314%0.14438%0.382CS..EExtended strand (participates in β ladder)trans-112.2127.6171.9-66.493.3000110.3I467 Q474 L475 I480 L506 F512 V513 R514I467-W523 HydrophobicContact CD1-CB 4.19Å; Q474-W523 WeakPolarHBondContact CA-O 3.34Å; L475-W523 PolarHBondContact N-O 3.49Å; L475-W523 PolarHBondContact O-N 3.35Å; I480-W523 HydrophobicContact CD1-CB 4.2Å; I480-W523 HydrophobicContact CD1-CG 4.46Å; L506-W523 HydrophobicContact CB-CD2 4.34Å; L506-W523 HydrophobicContact CB-CE3 4.22Å; L506-W523 HydrophobicContact CB-CH2 3.94Å; L506-W523 HydrophobicContact CB-CZ2 4.07Å; L506-W523 HydrophobicContact CB-CZ3 4.01Å; L506-W523 HydrophobicContact CD1-CD2 4.27Å; L506-W523 HydrophobicContact CD1-CG 4.4Å; L506-W523 HydrophobicContact CD1-CZ2 4.49Å; L506-W523 HydrophobicContact CD2-CB 4.28Å; L506-W523 HydrophobicContact CD2-CD2 3.86Å; L506-W523 HydrophobicContact CD2-CE3 3.94Å; L506-W523 HydrophobicContact CD2-CG 4.01Å; L506-W523 HydrophobicContact CG-CD2 4.39Å; L506-W523 WeakPolarHBondContact O-CZ3 3.45Å; F512-W523 HydrophobicContact CB-CE3 4.1Å; F512-W523 HydrophobicContact CB-CZ3 4.39Å; V513-W523 WeakPolarHBondContact O-CA 3.44Å; R514-W523 HydrophobicContact CB-CD2 4.39Å; R514-W523 HydrophobicContact CB-CE3 4.06Å; R514-W523 HydrophobicContact CB-CH2 4.06Å; R514-W523 HydrophobicContact CB-CZ2 4.37Å; R514-W523 HydrophobicContact CB-CZ3 3.9Å
524T95.8Very high88.3Confident32 Ų3278.5 Ų78.520%0.19638%0.383CS..EExtended strand (participates in β ladder)trans-109.5171.2174.260.90000110.6Q474 F512 V513 V515Q474-T524 HydrophobicContact CB-CG2 3.77Å; F512-T524 WeakPolarHBondContact CA-O 3.26Å; V513-T524 PolarHBondContact N-O 3.25Å; V513-T524 VanDerWaalsContact N-O 3.12Å; V513-T524 PolarHBondContact O-N 3Å; V513-T524 PolarHBondContact O-OG1 3.36Å; V515-T524 HydrophobicContact CB-CG2 4.42Å; V515-T524 HydrophobicContact CG2-CG2 3.81Å
525V95.7Very high85.9Confident23 Ų2376.5 Ų76.514%0.13939%0.391CS..EExtended strand (participates in β ladder)trans-116.2119.7172.9-178.50000110.6R464 I467 C511 F512 E527R464-V525 HydrophobicContact CB-CG2 4.39Å; R464-V525 HydrophobicContact CG-CG1 4.13Å; R464-V525 HydrophobicContact CG-CG2 4.34Å; I467-V525 HydrophobicContact CB-CG2 3.85Å; I467-V525 HydrophobicContact CD1-CG2 3.8Å; I467-V525 HydrophobicContact CG1-CG2 4.43Å; I467-V525 HydrophobicContact CG2-CG2 3.83Å; C511-V525 CarbonylContact O-C 3.59Å; C511-V525 VanDerWaalsContact O-CA 3.27Å; C511-V525 WeakPolarHBondContact O-CA 3.38Å; F512-V525 HydrophobicContact CD1-CG2 4.01Å; F512-V525 HydrophobicContact CE1-CG2 3.96Å; V525-E527 PolarHBondContact O-N 3.02Å
526D93.9Very high83.7Confident60 Ų6079.7 Ų79.732%0.32141%0.413SS..  trans-76.4104158.6179.3-12.6000108.4C511 V528 E529 Y530C511-D526 WeakPolarHBondContact CB-O 3.4Å; C511-D526 PolarHBondContact O-N 3.35Å; D526-V528 VanDerWaalsContact C-N 3.3Å; D526-V528 PolarHBondContact O-N 3.04Å; D526-V528 WeakPolarHBondContact OD1-CA 3.43Å; D526-V528 WeakPolarHBondContact OD1-CB 3.43Å; D526-V528 PolarHBondContact OD1-N 2.91Å; D526-E529 HydrophobicContact CB-CB 3.97Å; D526-E529 VanDerWaalsContact CG-CB 3.47Å; D526-E529 PolarHBondContact OD1-N 2.96Å; D526-E529 VanDerWaalsContact OD2-CB 3.3Å; D526-E529 WeakPolarHBondContact OD2-CB 3.35Å; D526-Y530 WeakPolarHBondContact O-CB 3.42Å; D526-Y530 PolarHBondContact O-N 3.06Å
527E90Very high81.3Confident55 Ų5578.7 Ų78.726%0.25741%0.406SS..Hα-helixtrans-65.1-32.7178.8-177.158.4-159.700112.5R464 V525 Y530 Q531R464-E527 IonicContact CZ-OE1 3.45Å; R464-E527 IonicContact CZ-OE2 3.28Å; R464-E527 IonicContact NE-OE1 3.18Å; R464-E527 IonicContact NE-OE2 3.39Å; R464-E527 PolarHBondContact NE-OE2 3.29Å; R464-E527 IonicContact NH2-OE1 2.71Å; R464-E527 PolarHBondContact NH2-OE1 3.29Å; R464-E527 IonicContact NH2-OE2 3.54Å; R464-E527 PolarHBondContact NH2-OE2 3.48Å; V525-E527 PolarHBondContact O-N 3.02Å; E527-Y530 PolarHBondContact O-N 3.45Å; E527-Q531 WeakPolarHBondContact O-CB 3.43Å; E527-Q531 WeakPolarHBondContact O-CG 3.32Å; E527-Q531 PolarHBondContact O-N 3.16Å; E527-Q531 PolarHBondContact OE1-NE2 3.29Å
528V88.8Confident79.2Confident93 Ų9385 Ų8556%0.56444%0.436SS*.Hα-helixtrans-72.9-44.7-179-168.70000109.8D526 Y530 Q531 K532D526-V528 VanDerWaalsContact C-N 3.3Å; D526-V528 PolarHBondContact O-N 3.04Å; D526-V528 WeakPolarHBondContact OD1-CA 3.43Å; D526-V528 WeakPolarHBondContact OD1-CB 3.43Å; D526-V528 PolarHBondContact OD1-N 2.91Å; V528-Y530 VanDerWaalsContact C-N 3.33Å; V528-Q531 PolarHBondContact O-N 3.2Å; V528-K532 WeakPolarHBondContact O-CG 3.41Å; V528-K532 PolarHBondContact O-N 3.44Å
529E90.2Very high77.4Confident32 Ų3284.1 Ų84.115%0.1543%0.431CS..Hα-helixtrans-67.4-31.8172.9-174.766.1-16900112.3K510 C511 D526 K532 R533K510-E529 HydrophobicContact CB-CG 3.75Å; K510-E529 WeakPolarHBondContact CB-OE1 3.17Å; C511-E529 HydrophobicContact CB-CB 4.13Å; C511-E529 HydrophobicContact CB-CG 4.12Å; D526-E529 HydrophobicContact CB-CB 3.97Å; D526-E529 VanDerWaalsContact CG-CB 3.47Å; D526-E529 PolarHBondContact OD1-N 2.96Å; D526-E529 VanDerWaalsContact OD2-CB 3.3Å; D526-E529 WeakPolarHBondContact OD2-CB 3.35Å; E529-K532 WeakPolarHBondContact OE2-CD 3.49Å; E529-K532 WeakPolarHBondContact OE2-CE 3.4Å; E529-K532 IonicContact OE2-NZ 3.87Å; E529-K532 PolarHBondContact OE2-NZ 3.33Å; E529-R533 WeakPolarHBondContact O-CG 3.47Å; E529-R533 PolarHBondContact O-N 3.03Å; E529-R533 IonicContact OE1-NE 2.71Å
530Y86.8Confident75.2Confident17 Ų1777.7 Ų77.77%0.06742%0.421CS..Hα-helixtrans-65.8-40.5170.8-177.8-95.4000111.5S461 R464 C511 D526 E527 V528 R533 R534S461-Y530 PolarHBondContact OG-OH 3.39Å; R464-Y530 HydrophobicContact CB-CE2 4.38Å; R464-Y530 VanDerWaalsContact CD-CD1 3.45Å; R464-Y530 VanDerWaalsContact CD-CZ 3.47Å; C511-Y530 HydrophobicContact CB-CD2 4.48Å; D526-Y530 WeakPolarHBondContact O-CB 3.42Å; D526-Y530 PolarHBondContact O-N 3.06Å; E527-Y530 PolarHBondContact O-N 3.45Å; V528-Y530 VanDerWaalsContact C-N 3.33Å; Y530-R533 PolarHBondContact O-N 3.3Å; Y530-R534 VanDerWaalsContact CE1-NE 3.33Å; Y530-R534 PolarHBondContact OH-NH2 3.37Å
531Q85.3Confident72.3Confident110 Ų11080.5 Ų80.551%0.51444%0.435SS..Hα-helixtrans-70.9-40.7178.4-74.617720.800112.7E527 V528 R533 R534E527-Q531 WeakPolarHBondContact O-CB 3.43Å; E527-Q531 WeakPolarHBondContact O-CG 3.32Å; E527-Q531 PolarHBondContact O-N 3.16Å; E527-Q531 PolarHBondContact OE1-NE2 3.29Å; V528-Q531 PolarHBondContact O-N 3.2Å; Q531-R533 PolarHBondContact O-N 3.19Å; Q531-R533 VanDerWaalsContact O-N 3.13Å; Q531-R534 PolarHBondContact O-N 3.02Å
532K83.6Confident69.8Low134 Ų13485.7 Ų85.758%0.58347%0.467SS*.Hα-helixtrans-54.2-30.5172.9-73.8175.3-129.2158.40113.4V528 E529V528-K532 WeakPolarHBondContact O-CG 3.41Å; V528-K532 PolarHBondContact O-N 3.44Å; E529-K532 WeakPolarHBondContact OE2-CD 3.49Å; E529-K532 WeakPolarHBondContact OE2-CE 3.4Å; E529-K532 IonicContact OE2-NZ 3.87Å; E529-K532 PolarHBondContact OE2-NZ 3.33Å
533R67.9Low67.4Low111 Ų11190.7 Ų90.742%0.41950%0.498SS..THydrogen-bonded Turntrans-81.3-14179-73.4177.6174.5-1125.4114.1H509 K510 E529 Y530 Q531H509-R533 PolarHBondContact ND1-NH1 3.05Å; K510-R533 VanDerWaalsContact N-NH2 3.2Å; E529-R533 WeakPolarHBondContact O-CG 3.47Å; E529-R533 PolarHBondContact O-N 3.03Å; E529-R533 IonicContact OE1-NE 2.71Å; Y530-R533 PolarHBondContact O-N 3.3Å; Q531-R533 PolarHBondContact O-N 3.19Å; Q531-R533 VanDerWaalsContact O-N 3.13Å
534R63.1Low64.9Low106 Ų10696.3 Ų96.340%0.453%0.53SS..SBendtrans-82.4135166.5-65.7-176.5172.2-157.1-5.4107.5Y530 Q531 P536Y530-R534 VanDerWaalsContact CE1-NE 3.33Å; Y530-R534 PolarHBondContact OH-NH2 3.37Å; Q531-R534 PolarHBondContact O-N 3.02Å; R534-P536 WeakPolarHBondContact O-CD 3.47Å
535P47.2Very low62.4Low115 Ų115101.2 Ų101.275%0.74756%0.559SS**PPolyproline II helixtrans-51128168.4-25.234.3000108.9K537P535-K537 PolarHBondContact O-N 3.43Å; P535-K537 VanDerWaalsContact O-N 3.1Å
536P46.9Very low59.8Low124 Ų124109.3 Ų109.381%0.80559%0.593SS**PPolyproline II helixtrans-53.7123.1175.6-27.235.3000108.9R534 M538R534-P536 WeakPolarHBondContact O-CD 3.47Å; P536-M538 PolarHBondContact O-N 3.29Å
537K45.3Very low57.3Low138 Ų138114.1 Ų114.160%0.662%0.618SS**PPolyproline II helixtrans-55.4136.2166.9-71.7-178.2174.9-179.80106.8P535 T539P535-K537 PolarHBondContact O-N 3.43Å; P535-K537 VanDerWaalsContact O-N 3.1Å; K537-T539 PolarHBondContact O-N 3.37Å
538M40.7Very low54.7Low196 Ų196119.8 Ų119.897%0.96665%0.647SS**  trans-74.760.5177-160174.278.500110.5P536 G540P536-M538 PolarHBondContact O-N 3.29Å; M538-G540 PolarHBondContact O-N 2.89Å
539T45Very low52.4Low122 Ų122122.6 Ų122.675%0.74866%0.657SS**PPolyproline II helixtrans-73.1117167.7-175.30000107.3K537 S541K537-T539 PolarHBondContact O-N 3.37Å; T539-S541 PolarHBondContact O-N 3.21Å
540G35.3Very low50Low63 Ų63127.1 Ų127.165%0.64969%0.693SS**PPolyproline II helixtrans-58.1139.1174.200000109.9M538M538-G540 PolarHBondContact O-N 2.89Å
541S29.3Very low47.2Very low94 Ų94130.1 Ų130.166%0.65773%0.729SS**PPolyproline II helixtrans-60.9137.2170.9-165.80000108.9T539 T543T539-S541 PolarHBondContact O-N 3.21Å; S541-T543 PolarHBondContact O-N 3.06Å; S541-T543 PolarHBondContact OG-OG1 3.17Å
542P42.7Very low44.9Very low128 Ų128134 Ų13483%0.83175%0.752SS**THydrogen-bonded Turntrans-70.811.9-168.528.8-36.7000115.3
543T44.5Very low42.4Very low113 Ų113131.2 Ų131.269%0.69376%0.761SS**THydrogen-bonded Turntrans-109.42-162.6-12.30000115.8S541S541-T543 PolarHBondContact O-N 3.06Å; S541-T543 PolarHBondContact OG-OG1 3.17Å
544L45.8Very low40.8Very low157 Ų157136.5 Ų136.582%0.82279%0.787SS**  trans-121.926.8-174.9-78176.2000115.7K546L544-K546 PolarHBondContact O-N 3.4Å
545V43Very low39.4Very low134 Ų134135 Ų13581%0.81281%0.805SS**  trans-100.157.2174.8-164.10000111.6
546K41Very low38.9Very low193 Ų193135.1 Ų135.184%0.83981%0.808SS**SBendtrans-152.629.4172.2-147.1-175.8176.7-179.70116.2L544L544-K546 PolarHBondContact O-N 3.4Å
547N40.2Very low38.5Very low161 Ų161137.8 Ų137.886%0.86182%0.815SS**SBendtrans-149.418.7177.1-119.210000116.7
548M35.7Very low38.5Very low175 Ų175137 Ų13786%0.86282%0.817SS**  trans-127.436.1179.4-65.1-161-66.200113.9
549I40.9Very low38.7Very low152 Ų152132 Ų13278%0.77981%0.808SS**SBendtrans-131.166167.6-48.886.5000109.6
550S39.7Very low38.4Very low127 Ų127131.5 Ų131.589%0.88881%0.809SS**SBendtrans-173.4126.6161.9-96.20000108.5
551G29Very low38.5Very low80 Ų80137.1 Ų137.183%0.82581%0.812SS**  trans109.780.9176.700000115.2
552L37.2Very low39.2Very low191 Ų191140.6 Ų140.6100%182%0.817SS**  trans-80.3116.4154.5-75.5169.8000107.7
553G29.1Very low39.3Very low75 Ų75139 Ų13977%0.77382%0.816SS**  trans-138.5144-179.200000111.2
554F35.2Very low39.1Very low222 Ų222137.5 Ų137.597%0.97481%0.814SS**  trans-82.9135.5-169.4-126.4-111.9000112.8
555G34.1Very low38.7Very low74 Ų74137.2 Ų137.276%0.76381%0.813SS**  trans89.1104.8148.100000119.2
556S36.3Very low38.3Very low118 Ų118135.2 Ų135.283%0.82581%0.811SS**  trans-163.299.7133-170.60000111.3
557L38.9Very low37.8Very low181 Ų181135.2 Ų135.295%0.94881%0.813SS**  trans-142.756.7169.6-76.4-179.5000109.9
558N46Very low37.3Very low120 Ų120133.6 Ų133.664%0.64282%0.815SS**  trans-142.470.6176.7-170.433.2000112.4
559A44.3Very low37.2Very low93 Ų93131.1 Ų131.177%0.76981%0.814SS**SBendtrans-134.3-17.5173.300000113.6
560S39.3Very low36.7Very low110 Ų110132 Ų13277%0.76982%0.82SS**SBendtrans-99.3-12.7-176.149.40000114.8
561Y35.8Very low36.2Very low181 Ų181130.9 Ų130.971%0.7181%0.812SS**SBendtrans-88.5-25.3-176.9-160.6-102.5000113.4A563Y561-A563 VanDerWaalsContact C-N 3.35Å; Y561-A563 PolarHBondContact O-N 3.41Å
562Q44.9Very low36.2Very low167 Ų167134.5 Ų134.578%0.7881%0.812SS**THydrogen-bonded Turntrans-84.1-7.3-172.2-146.4168.117.900114.1
563A44.6Very low36Very low96 Ų96132.6 Ų132.679%0.79380%0.802SS**THydrogen-bonded Turntrans-92.32.5-178.500000114.5Y561Y561-A563 VanDerWaalsContact C-N 3.35Å; Y561-A563 PolarHBondContact O-N 3.41Å
564A39.3Very low35.9Very low80 Ų80135.9 Ų135.966%0.66180%0.802SS**SBendtrans-114.49.5-167.300000115.3
565L37.5Very low35.6Very low151 Ų151130.2 Ų130.279%0.79179%0.79SS**SBendtrans-12214.1-172-66.3178000114.7
566A35.5Very low35.2Very low93 Ų93132.1 Ų132.177%0.76979%0.791SS**SBendtrans-132.575.3-176.900000112.3
567E30.6Very low35.8Very low192 Ų192131.6 Ų131.690%0.89779%0.785SS**  trans176.495.4143.1-102172.3-160.300111
568S30.5Very low35.4Very low127 Ų127130.3 Ų130.389%0.88878%0.778SS**  trans-165.666.8165-85.80000112.4
569S32Very low34.7Very low123 Ų123130.9 Ų130.986%0.8679%0.786SS**  trans-155.1105.8165.7380000110.4
570L31.9Very low34.1Very low171 Ų171132.7 Ų132.790%0.89579%0.787SS**  trans-78.2139.1174.9-64.3168.6000110.5
571S28.4Very low34.8Very low103 Ų103132.8 Ų132.872%0.7279%0.786SS**  trans174.7130.6130.2-84.40000115.8
572L29.4Very low35.3Very low156 Ų156129.4 Ų129.482%0.81779%0.786SS**  trans75.6133.8135.3-67.3171000122.8
573L33Very low34.5Very low152 Ų152126.8 Ų126.880%0.79679%0.786SS**  trans81.591.9152.5-64.5170.5000122.2
574N27.2Very low33.8Very low144 Ų144127 Ų12777%0.7779%0.788SS**  73.4149.3110.2-157.628.4000122.6
575S28.3Very low33.4Very low103 Ų103127.2 Ų127.272%0.7279%0.79SS**  trans71.412416355.20000121.2
576S26Very low33.1Very low114 Ų114124.9 Ų124.980%0.79779%0.786SS**  trans-98.1-171.8154-42.60000108.5
577P47.6Very low33Very low107 Ų107127.8 Ų127.870%0.69579%0.787SS**  cis-141.9-169.44.145.1-26.4000116.1
578L30.5Very low33.1Very low153 Ų153124.4 Ų124.480%0.80178%0.776SS**  trans66.6161164.5-95.956.4000115.7
579V31.8Very low33.1Very low132 Ų132125.3 Ų125.380%0.877%0.768SS**  cis-136.7-176.98.1-127.60000111.3
580T31.9Very low33Very low131 Ų131126.4 Ų126.480%0.80476%0.763SS**  trans-94.4-142.2177.746.90000113.5
581P55.3Low32.9Very low113 Ų113126.3 Ų126.373%0.73476%0.758SS**  -112.3-158.8-125.540.6-19.2000111.9
582P44.4Very low33.1Very low109 Ų109127.5 Ų127.571%0.70876%0.76SS**  cis-145.8171.84.944.9-25.7000119.6
583S30Very low33.1Very low113 Ų113123.3 Ų123.379%0.7976%0.755SS**  trans70.7154.5142.1-70.50000123.2
584A29.2Very low32.9Very low101 Ų101124 Ų12484%0.83575%0.754SS**  trans69.9155.6161.100000118.1
585A30.3Very low33Very low84 Ų84123.2 Ų123.269%0.69475%0.749SS**  cis-167.3166.6-28.900000110
586S31.2Very low33.2Very low102 Ų102125.1 Ų125.171%0.71375%0.752SS**  trans63119.2150.7-61.60000121.4
587L33.6Very low33.6Very low153 Ų153126.7 Ų126.780%0.80176%0.756SS**  trans65.5158.8133.3-54.5173.4000116.9
588N31.7Very low32.7Very low122 Ų122126.6 Ų126.665%0.65276%0.758SS**  cis-168164.825.9-145.3-4.2000111.7
589M31.1Very low32.5Very low146 Ų146124 Ų12472%0.71975%0.753SS**  trans58.4157.3157.8-54.6-49.4-118.600119.6
590L30.7Very low32.6Very low145 Ų145123.2 Ų123.276%0.75975%0.748SS**  cis166.8174.2-33.5-104.4-172.9000105.9
591H29.9Very low32.6Very low169 Ų169123.2 Ų123.278%0.78275%0.747SS**  trans77.3107.3172-121-125.2000115.5
592V32Very low31.4Very low128 Ų128125 Ų12578%0.77675%0.746SS**  88.3133.984.1157.20000112.7
593G28.3Very low30.8Very low68 Ų68126.5 Ų126.570%0.70174%0.744SS**  cis166.7-153.2-2.200000112.5
594H30.2Very low30.8Very low168 Ų168126.3 Ų126.378%0.77874%0.738SS**  trans99136.7170.9-147.6-70.6000119.1
595D29.2Very low30.7Very low127 Ų127128.5 Ų128.568%0.67974%0.735SS**  trans-64.4169.4175.8-52.4-105.1000113
596D31.3Very low30.7Very low143 Ų143128.7 Ų128.777%0.76573%0.732SS**  cis-158.3153.940.9-109.5-69.4000113.9
597V35.8Very low30.6Very low147 Ų147131.8 Ų131.889%0.89174%0.74SS**  164156.5127.773.20000111.9
598S27.5Very low30.4Very low105 Ų105128.2 Ų128.273%0.73474%0.74SS**  trans-123173.7-154.8-166.80000116.4
599S28Very low30.2Very low99 Ų99127.6 Ų127.669%0.69275%0.746SS**  trans77.5140166.8-60.50000118.5
600T32Very low30.1Very low114 Ų114126.5 Ų126.570%0.69975%0.751SS**  cis-167.5143.4-1120.90000109.9
601V33.4Very low30.2Very low131 Ų131124.9 Ų124.979%0.79475%0.752SS**  trans55.3146.1154.3-53.10000119.8
602E30.3Very low30.9Very low150 Ų150122.1 Ų122.170%0.70175%0.748SS**  cis-154.8163.9-1.9-131.8-168.9139.400113.3
603Q30.5Very low30.8Very low142 Ų142121.7 Ų121.766%0.66475%0.747SS**  trans65115.4148.3-79.8-175.535.100124.1
604V30.5Very low30.8Very low109 Ų109126.5 Ų126.566%0.66176%0.755SS**  trans71.5112138.3-54.70000123.4
605N27.7Very low30.8Very low146 Ų146123.9 Ų123.978%0.78176%0.756SS**  56.4147.1120.6-54.17000121.7
606S30.3Very low31.6Very low89 Ų89122.9 Ų122.962%0.62276%0.756SS**  cis-172.4142.8-20.4-92.90000108.3
607N29.2Very low31.4Very low167 Ų167123.9 Ų123.989%0.89376%0.756SS**  trans65.2154170.7-48.1-18.7000115.1
608G29.5Very low31.1Very low78 Ų78124 Ų12480%0.80475%0.747SS**  cis-156.1163.1-4.100000110.4
609S27.8Very low31Very low109 Ų109129.8 Ų129.876%0.76275%0.754SS**  trans-99.2148.8-160.648.70000116.1
610C27.1Very low30.8Very low123 Ų123129.8 Ų129.883%0.83175%0.754SS**  trans59.1123.7146.2-62.10000121.5
611S32.8Very low30.8Very low111 Ų111132.9 Ų132.978%0.77676%0.761SS**  trans-62.5161.8144.1-36.80000110.7
612P45.5Very low31.1Very low110 Ų110132.2 Ų132.271%0.71476%0.759SS**  -153.8143.985.639.5-20.3000118.3
613T29.4Very low30.9Very low120 Ų120131.4 Ų131.474%0.73676%0.764SS**  trans31.3135.913866.10000124.1
614L29.8Very low30.7Very low169 Ų169132.5 Ų132.589%0.88577%0.769SS**  trans131.8136.7132.2-67.6-174000116.2
615S29.2Very low30.5Very low112 Ų112132.6 Ų132.678%0.78377%0.769SS**  trans-97.4171.9167.1-44.90000110.4
616P45.7Very low30.4Very low106 Ų106134.2 Ų134.269%0.68877%0.769SS**  -157.3170.884.741.4-22.4000117.9
617Q27.5Very low30.3Very low164 Ų164137 Ų13777%0.76677%0.772SS**  trans64155.8154.1-78.8174.2-56.400118.6
618Q28.9Very low30.1Very low151 Ų151137.3 Ų137.371%0.70677%0.768SS**  cis-164.8146.8-19.2-130.1172.8-42.500108.8
619Y25.9Very low30.8Very low225 Ų225138.2 Ų138.288%0.88276%0.76SS**  trans169.3-171.8135.6-108.7-90.5000113
620S23.9Very low30.8Very low99 Ų99137.9 Ų137.969%0.69275%0.754SS**  trans-117162.2-146.657.50000118.9
621H31.8Very low30.9Very low180 Ų180140.5 Ų140.583%0.83375%0.754SS**  trans-42.9158.5161.3-66.7-60.5000115.1
622P39Very low31.1Very low116 Ų116142.5 Ų142.575%0.75376%0.761SS**  -159.3159.461.343.9-21.6000122.8
623V27.3Very low31.2Very low133 Ų133146 Ų14681%0.80677%0.768SS**  trans74.9135.4133.31650000125.1
624H25.4Very low31.4Very low166 Ų166149.1 Ų149.177%0.76977%0.774SS**  trans88111151.5-111.524.5000125.6
625V26.8Very low31.7Very low110 Ų110146.9 Ų146.967%0.66776%0.763SS**  43129.2114.91740000122.1
626K24.9Very low31.7Very low181 Ų181146.8 Ų146.879%0.78776%0.762SS**  -164.1177.1113.2-154.5147.3-171.2-172.20114.3
627E29.1Very low31.2Very low146 Ų146152.6 Ų152.668%0.68277%0.771SS**  trans-96159.7-159.4-55.7148.59800116.6
628E24.1Very low32.2Very low174 Ų174150.2 Ų150.281%0.81377%0.769SS**  trans44.3-179.1139.5-103.6-145.599.100122.4
629P45.1Very low32.3Very low97 Ų97149.4 Ų149.463%0.6377%0.774SS**  cis-135.9-168.93.538.8-17.6000118.4
630T28.4Very low32.5Very low102 Ų102143.6 Ų143.663%0.62677%0.766SS**  trans85.7106.5146.637.50000123.7
631E29.5Very low32.7Very low178 Ų178145.7 Ų145.783%0.83277%0.769SS**  46133.7116-61.4179.2166.700124.3
632V36.4Very low32.6Very low154 Ų154144.5 Ų144.593%0.93377%0.768SS**  -157162.6116.6-75.60000110.9
633E46.3Very low32.2Very low182 Ų182144 Ų14485%0.8577%0.774SS**  trans-140.5140.7-177.1-179.1-172.7135.100112.4
634E34.4Very low32.3Very low187 Ų187140.8 Ų140.887%0.87477%0.768SS**  trans-171123155.2-106-176.894.800105.3
635D36.7Very low32.6Very low121 Ų121139.4 Ų139.465%0.64777%0.771SS**  cis79.3128.845.8-162.343.2000116.9
636S29.4Very low32.8Very low110 Ų110139.4 Ų139.477%0.76977%0.771SS**  trans163.2120.5156.7-80.70000111
637R34.6Very low33Very low229 Ų229138.8 Ų138.886%0.86477%0.771SS**  trans-103-160.1173-62.4-178.1174.6-178.1-1108.8
638P48.4Very low33Very low114 Ų114137.3 Ų137.374%0.7478%0.777SS**  cis-149.31781.744.7-23.7000119.6
639V31.8Very low33.4Very low133 Ų133137.1 Ų137.181%0.80678%0.78SS**  trans70.5101.9139.5162.70000123
640S28.7Very low33.3Very low103 Ų103138.2 Ų138.272%0.7279%0.787SS**  70.1158.1110.4-143.90000126.1
641L29.1Very low33.6Very low143 Ų143140.9 Ų140.975%0.74980%0.797SS**  trans92.4110.5156.2-56.4-176.7000124
642L29.8Very low34.2Very low155 Ų155138.1 Ų138.181%0.81279%0.794SS**  56.2123.1123.6-62.5177.6000125.9
643A30.1Very low33.8Very low107 Ų107135.3 Ų135.388%0.88478%0.782SS**  78.1146.6124.200000124.7
644G29.1Very low33.1Very low65 Ų65132.7 Ų132.767%0.6777%0.773SS**  trans135.6104.9170.200000113.2
645V31.1Very low33.1Very low137 Ų137131.4 Ų131.483%0.8377%0.767SS**  72.811870.6173.90000111.5
646T31Very low33Very low110 Ų110136.1 Ų136.168%0.67578%0.776SS**  -152.3153.955.348.30000116.8
647H30.6Very low33.1Very low168 Ų168137.1 Ų137.178%0.77877%0.773SS**  trans26.4151.7142.7-40.8-58.9000122.9
648S28.4Very low33.5Very low115 Ų115133 Ų13380%0.80477%0.767SS**  cis-151.2171.326.2-610000114.6
649L32.5Very low32.9Very low169 Ų169135.4 Ų135.489%0.88577%0.769SS**  trans-118.4-174.4177.6-68.2166.8000110.5
650P43.7Very low33.1Very low120 Ų120137.7 Ų137.778%0.77977%0.771SS**  cis-137.1-1671.342.7-22.5000116.5
651L33Very low33.3Very low158 Ų158139.3 Ų139.383%0.82777%0.771SS**  trans-79166.1165.4-61.2165.2000111.9
652P43.8Very low33.8Very low121 Ų121139.2 Ų139.279%0.78677%0.771SS**  -127.1170.280.88.614.8000113.2
653S28.2Very low34.8Very low95 Ų95137 Ų13766%0.66477%0.766SS**  cis95.7118.728.3-123.90000115.5
654D30.5Very low35.6Very low127 Ų127137.5 Ų137.568%0.67976%0.758SS**  trans76.1112.2147.7-52.9-50.4000124.7
655E33.6Very low36.3Very low160 Ų160142.5 Ų142.575%0.74876%0.764SS**  75.1145.8124.3-65.7-170.813900124.3
656R35.2Very low37.1Very low219 Ų219143.4 Ų143.483%0.82676%0.759SS**  trans83159.1167-65166.5-60.41764.3117.3
657D32Very low37.9Very low132 Ų132145.1 Ų145.171%0.70676%0.763SS**  cis-177-174-32.3-149.5-36.4000105.6
658L42.9Very low38.6Very low143 Ų143149.7 Ų149.775%0.74979%0.785SS**  trans70.4129179.9-56.8110.1000113.8
659E36.2Very low39.1Very low164 Ų164151.4 Ų151.477%0.76678%0.784SS**  cis94.1139.540.1-75.3-165.2114.300114.1
660E35.3Very low39.4Very low181 Ų181150.5 Ų150.585%0.84678%0.778SS**  trans61.5154.2177.3-68.517520.500116.2
661D32.4Very low39.2Very low136 Ų136152.2 Ų152.273%0.72778%0.778SS**  cis-138.5166.26.5-169.7-148.8000112.2
662L41.2Very low39.5Very low142 Ų142151.8 Ų151.874%0.74378%0.775SS**  trans-132116.1178.2-143.3-176.1000110.3
663P51Low39.3Very low109 Ų109153.8 Ų153.871%0.70878%0.775SS**  trans-95.6138.6161.8-13.531.5000113
664T44.9Very low40Very low116 Ų116157.7 Ų157.771%0.71278%0.782SS**  trans-89.4-164.6174.3-50.80000110.2
665E45.3Very low40.7Very low171 Ų171159.9 Ų159.980%0.79979%0.789SS**  trans83.4157.6165-38.9-8999.900116
666E46.5Very low41.2Very low155 Ų155159.8 Ų159.872%0.72479%0.793SS**  -162.4160.8-62.2-164.3-179.3106.200106.2
667L49.2Very low41.7Very low147 Ų147154.9 Ų154.977%0.7779%0.79SS**  trans67.3154.8177.7-55.5112.9000114.9
668E44.1Very low42.6Very low263 Ų263157 Ų157100%1.22980%0.798SS**  cis-128.6011.3-171.2176.911600112

Retrieved 668 of 668 residues in 90 ms (Link to these results)