A0A087XJF1_POEFO Loading...

NK6 homeobox 2

AlphaFold DB , UniProt , Accession A0A087XJF1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 281 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
1M39.4Very low46.1Very low236 Ų236153.4 Ų153.4100%1.16385%0.851SS**  089.40-62.1170.592.800105.6
2L40.6Very low46.1Very low179 Ų179154.6 Ų154.694%0.93785%0.845SS**  45121.1101.1-55.7179.2000111.2
3A49.6Very low46.1Very low102 Ų102150.9 Ų150.984%0.84384%0.838SS**  cis-157.5154.443.400000114
4V46.2Very low46.2Very low142 Ų142146.4 Ų146.486%0.86183%0.83SS**  trans-75.1146.51691660000110.4
5G46Very low46.5Very low72 Ų72149.5 Ų149.574%0.74283%0.831SS**  trans-155.288.6162.200000108.8
6Q44.1Very low46.8Very low165 Ų165148.1 Ų148.177%0.77183%0.827SS**  84.1107.592.1-161.8118.93.500112.2
7M51.8Low46.9Very low180 Ų180149.4 Ų149.489%0.88783%0.831SS**  trans-86.3128.1170.932.716911700108.1
8D49.8Very low46.7Very low151 Ų151145.1 Ų145.181%0.80783%0.826SS**  trans-118.9101.2168-105.5-67000109.4
9A49.4Very low46.6Very low95 Ų95143.2 Ų143.279%0.78582%0.822SS**  trans-90.9125.9158.600000107.3
10N39.6Very low47Very low118 Ų118142.5 Ų142.563%0.63182%0.821SS**  trans161.2107.5146.3-177.324.8000109.4
11R50.7Low47.5Very low247 Ų247141.5 Ų141.593%0.93282%0.82SS**  trans-149.496.1134.5-76.7-150163.2-127.5-5.2109.5S13R11-S13 PolarHBondContact O-N 3.4Å
12Q46Very low48.1Very low168 Ų168138.9 Ų138.979%0.78581%0.809SS**  trans-48.3124.8159.5-60.4164.610.900109.6
13S46.5Very low48.6Very low107 Ų107134.8 Ų134.875%0.74880%0.801SS**  trans-118.777.1165.7-152.20000107.4R11R11-S13 PolarHBondContact O-N 3.4Å
14A47.8Very low48.5Very low88 Ų88133.8 Ų133.873%0.72779%0.793SS**  trans-102.584.6174.500000108.1
15F49.7Very low48.7Very low192 Ų192135.2 Ų135.284%0.84280%0.795SS**  trans-96.592.4164.4-75.7-79000108.8
16V51.7Low48.9Very low127 Ų127140.7 Ų140.777%0.7780%0.801SS**  trans22.5104.7143.5-169.70000116.2G18V16-G18 PolarHBondContact O-N 3.23Å
17L48.8Very low49.2Very low171 Ų171138.6 Ų138.690%0.89580%0.795SS**  trans-58101.6154.2-72.2162.7000108.6S19L17-S19 VanDerWaalsContact C-N 3.33Å; L17-S19 PolarHBondContact O-N 3.37Å
18G42.3Very low48.6Very low72 Ų72138.7 Ų138.774%0.74280%0.795SS**  trans-65.493.8166.700000109.6V16V16-G18 PolarHBondContact O-N 3.23Å
19S46.5Very low48.9Very low108 Ų108137.3 Ų137.376%0.75579%0.792SS**PPolyproline II helixtrans-68.6120.1166.242.20000109L17 P21L17-S19 VanDerWaalsContact C-N 3.33Å; L17-S19 PolarHBondContact O-N 3.37Å; S19-P21 WeakPolarHBondContact O-CD 3.49Å
20T53.8Low48.8Very low130 Ų130139 Ų13980%0.79878%0.784SS**PPolyproline II helixtrans-74.9119.2166.846.40000108.7L22T20-L22 PolarHBondContact O-N 3.14Å
21P57.3Low49.3Very low122 Ų122141.5 Ų141.579%0.79279%0.794SS**PPolyproline II helixtrans-74.4124.7174.528.6-31.4000110.4S19 A23S19-P21 WeakPolarHBondContact O-CD 3.49Å; P21-A23 PolarHBondContact O-N 3.36Å
22L52.7Low49.1Very low181 Ų181137.9 Ų137.995%0.94879%0.785SS**  trans-66.1109.1161.2-103.7127.1000108.9T20T20-L22 PolarHBondContact O-N 3.14Å
23A51.5Low49.2Very low92 Ų92135.8 Ų135.876%0.7678%0.784SS**  trans-124.9104.9157.200000105.7P21P21-A23 PolarHBondContact O-N 3.36Å
24A46.9Very low49Very low82 Ų82136.4 Ų136.468%0.67879%0.789SS**  65.1102.57200000112.9
25L50.7Low48.7Very low172 Ų172140 Ų14090%0.90179%0.794SS**  trans67.6138.1147.3-85.7136.9000120.1
26H48.5Very low48.3Very low187 Ų187139.8 Ų139.887%0.86679%0.794SS**  trans89.195.9164.8-125.4-118.8000116.8
27N50.7Low48.2Very low121 Ų121139.6 Ų139.665%0.64780%0.795SS**  172.792.3122.2-166.411.2000110.7
28M40Very low47.6Very low181 Ų181142.3 Ų142.389%0.89280%0.795SS**  trans-151.977.5160.837.7-17454.200110.6
29T55.4Low47.5Very low122 Ų122143.1 Ų143.175%0.74880%0.795SS**  trans-145.370.7154.4-510000108.4
30E48.5Very low47.2Very low131 Ų131145.3 Ų145.361%0.61280%0.797SS**  trans-15795.3154.543.8-171159.900110.4K32E30-K32 PolarHBondContact O-N 3.15Å
31M49.3Very low46.9Very low170 Ų170147.1 Ų147.184%0.83780%0.797SS**  trans-53114.7148.645.4-103173.200109.8
32K47Very low46Very low172 Ų172150.5 Ų150.575%0.74880%0.802SS**  trans-149.587.1162.1-104.5161-176.9177.20110.4E30E30-K32 PolarHBondContact O-N 3.15Å
33T48.4Very low45.4Very low123 Ų123147.7 Ų147.776%0.75580%0.797SS**  trans24.5114.5132.960.80000117L35T33-L35 PolarHBondContact O-N 3.12Å
34S42Very low45.4Very low121 Ų121148.9 Ų148.985%0.84680%0.797SS**  trans-47.8122.4165.5-49.60000112.4
35L42Very low45.1Very low162 Ų162150.1 Ų150.185%0.84881%0.807SS**  trans-93.6104.3167.2-131.778.7000107.9T33T33-L35 PolarHBondContact O-N 3.12Å
36F40.5Very low44.4Very low189 Ų189145.5 Ų145.583%0.82980%0.801SS**  trans-135.7120156.1-94-77.2000107
37P49.4Very low44Very low122 Ų122146.7 Ų146.779%0.79280%0.804SS**  trans-88116.1173.632.6-25.7000108.6
38Y35.7Very low43.7Very low228 Ų228150.8 Ų150.889%0.89482%0.816SS**  trans-118.9130.2158.3-110.8-88.7000108.6
39A40.3Very low44Very low90 Ų90146.9 Ų146.974%0.74481%0.813SS**  trans-67.1143.8-174.600000113.2
40L40.9Very low43.6Very low153 Ų153146.9 Ų146.980%0.80182%0.815SS**  -176.8128.8129.6-107163.6000112.6
41Q47.3Very low43.5Very low169 Ų169145.3 Ų145.379%0.7982%0.818SS**  trans58.4110.5140.2-143.286.4-6.400120.8
42Q37.7Very low43.4Very low192 Ų192145.9 Ų145.990%0.89782%0.824SS**  trans-72.9138.4159.4-72.2163.4-11.600112.1
43S41Very low43.4Very low123 Ų123142.2 Ų142.286%0.8682%0.82SS**  -175.9153.1125.4-144.70000111.9
44P50.3Low43Very low117 Ų117143.8 Ų143.876%0.7682%0.824SS**  trans-109.5157.2-153.340.5-32.1000114.8
45A40.5Very low43.4Very low107 Ų107146.9 Ų146.988%0.88483%0.83SS**  trans162.2135.3137.700000111.7
46G37.2Very low43.3Very low75 Ų75143.8 Ų143.877%0.77382%0.822SS**  trans105.474.7152.500000117.2
47F40.5Very low43.8Very low212 Ų212140.1 Ų140.193%0.9382%0.82SS**  trans-73.1121163.4-67.7-87.5000111
48K42.8Very low43.5Very low207 Ų207142.6 Ų142.690%0.982%0.821SS**  trans-142108.9149.6-88-171.2176.1-178.70108.3
49A47.8Very low43.8Very low100 Ų100139.7 Ų139.783%0.82682%0.819SS**  trans-80.1140.1171.100000110.3
50P46.2Very low43.9Very low121 Ų121141.2 Ų141.279%0.78682%0.824SS**  trans-89.3132.6159.731.6-26.2000110.9
51S45.7Very low44.1Very low98 Ų98137.3 Ų137.369%0.68582%0.821SS**  trans-38.5129.3168.3168.30000114.1S53S51-S53 PolarHBondContact O-N 2.74Å; S51-S53 PolarHBondContact OG-OG 3.1Å
52L48.1Very low43.9Very low183 Ų183132.6 Ų132.696%0.95882%0.817SS**  trans-78.694.3163.3-69.4173.8000108.9
53S47.8Very low44.7Very low95 Ų95129.1 Ų129.166%0.66481%0.81SS**  trans-131.7132.2167.146.60000108.7S51S51-S53 PolarHBondContact O-N 2.74Å; S51-S53 PolarHBondContact OG-OG 3.1Å
54N39.6Very low45.4Very low156 Ų156129 Ų12983%0.83481%0.806SS**  trans84.786.7179.1-83.1-5.7000118.4S56N54-S56 VanDerWaalsContact C-N 3.33Å; N54-S56 PolarHBondContact O-N 3.12Å; N54-S56 VanDerWaalsContact O-N 3.14Å
55L50.9Low45.7Very low185 Ų185130.2 Ų130.297%0.96980%0.801SS**  trans-56.795.1135.3-170.775.1000109.1
56S39.5Very low46.9Very low97 Ų97127 Ų12768%0.67878%0.778SS**  trans-147.6118.2158.8-171.60000109.4N54 Q58N54-S56 VanDerWaalsContact C-N 3.33Å; N54-S56 PolarHBondContact O-N 3.12Å; N54-S56 VanDerWaalsContact O-N 3.14Å; S56-Q58 PolarHBondContact O-N 3.37Å
57S50.6Low48Very low113 Ų113129.9 Ų129.979%0.7978%0.775SS**  trans-25.6112.5170.4-48.80000115.3
58Q43.1Very low49Very low173 Ų173124.6 Ų124.681%0.80876%0.764SS**  trans-155.584.5150.1-143.1167.2-88.300112.4S56 S60S56-Q58 PolarHBondContact O-N 3.37Å; Q58-S60 PolarHBondContact O-N 3.44Å; Q58-S60 VanDerWaalsContact O-N 3.15Å
59I41.8Very low50Low168 Ų168118.4 Ų118.486%0.86274%0.74SS**  trans-57.9106.3155.431.6169.1000108.8G61I59-G61 PolarHBondContact O-N 3.02Å; I59-G61 VanDerWaalsContact O-N 3.12Å
60S42.4Very low50.7Low121 Ų121119.8 Ų119.885%0.84673%0.733SS**  trans-74.893.3164.6-66.70000108.8Q58Q58-S60 PolarHBondContact O-N 3.44Å; Q58-S60 VanDerWaalsContact O-N 3.15Å
61G45.5Very low51.5Low71 Ų71121.2 Ų121.273%0.73273%0.733SS**  trans-165.8118.617200000110.7I59I59-G61 PolarHBondContact O-N 3.02Å; I59-G61 VanDerWaalsContact O-N 3.12Å
62G42.3Very low52Low70 Ų70119.3 Ų119.372%0.72273%0.729SS**SBendtrans119127165.500000113.6
63T55.4Low52.6Low120 Ų120119.8 Ų119.874%0.73672%0.718SS**  trans-0.5141.2154.544.10000118.1H65T63-H65 PolarHBondContact O-N 2.89Å
64P56.4Low52.6Low120 Ų120120.4 Ų120.478%0.77972%0.719SS**SBendtrans-71.427.8-168.331.6-38.3000116.3
65H55.9Low53.3Low142 Ų142121.5 Ų121.566%0.65772%0.723SS**  trans-136.695.7175.8-60.877.2000108.7T63T63-H65 PolarHBondContact O-N 2.89Å
66G66.1Low52.9Low39 Ų39118.3 Ų118.340%0.40271%0.712SS.*  trans-73.3154.2172.400000111.2S68 D69G66-S68 PolarHBondContact O-N 3.29Å; G66-D69 PolarHBondContact O-N 3.24Å
67I59.4Low53.3Low137 Ų137120.3 Ų120.370%0.70372%0.72SS**THydrogen-bonded Turntrans-54.1-23.5179.3-84.8162.6000113D69 I70I67-D69 VanDerWaalsContact C-N 3.32Å; I67-D69 PolarHBondContact O-N 2.95Å; I67-I70 PolarHBondContact O-N 3.36Å
68S62.2Low52.9Low100 Ų100119.4 Ų119.470%0.69972%0.72SS**Hα-helixtrans-61.3-33.2175.6-33.50000113.7G66 I70G66-S68 PolarHBondContact O-N 3.29Å; S68-I70 VanDerWaalsContact C-N 3.29Å; S68-I70 PolarHBondContact O-N 3.02Å
69D63.2Low53Low77 Ų77114.6 Ų114.641%0.41272%0.716SS.*Hα-helixtrans-72.4-21.5-179.5-87.7-84.7000113.5G66 I67 R73G66-D69 PolarHBondContact O-N 3.24Å; I67-D69 VanDerWaalsContact C-N 3.32Å; I67-D69 PolarHBondContact O-N 2.95Å; D69-R73 IonicContact OD1-NH2 2.9Å
70I61.7Low53.2Low129 Ų129114.6 Ų114.666%0.66271%0.713SS**Hα-helixtrans-81.5-31.8-176.5-58.3176.4000110.8I67 S68I67-I70 PolarHBondContact O-N 3.36Å; S68-I70 VanDerWaalsContact C-N 3.29Å; S68-I70 PolarHBondContact O-N 3.02Å
71L63.9Low53.6Low152 Ų152115.7 Ų115.780%0.79671%0.708SS**Hα-helixtrans-93.1-10.9-173.3-62.6175.1000113.8
72G56.7Low53.6Low58 Ų58120.5 Ų120.560%0.59872%0.716SS**SBendtrans-106.21.2-169.300000117.5P74G72-P74 VanDerWaalsContact O-CD 3.26Å; G72-P74 WeakPolarHBondContact O-CD 3.45Å
73R60Low53.7Low193 Ų193122.5 Ų122.573%0.72872%0.719SS**  trans-91.4114.4-175.2-68-174.1-177.3-121.3-3112.3D69D69-R73 IonicContact OD1-NH2 2.9Å
74P47.4Very low53.3Low107 Ų107119.5 Ų119.570%0.69571%0.712SS**  trans-67.6132.9164.728.3-31.8000109.3G72 T76G72-P74 VanDerWaalsContact O-CD 3.26Å; G72-P74 WeakPolarHBondContact O-CD 3.45Å; P74-T76 PolarHBondContact O-N 3.34Å
75I54.7Low52.7Low179 Ų179123.5 Ų123.592%0.91872%0.718SS**  trans-64.6105.1170.7-96.5169.3000107.4
76T43.6Very low52.3Low118 Ų118122.9 Ų122.972%0.72473%0.726SS**  trans-113.6124.316665.60000108.3P74P74-T76 PolarHBondContact O-N 3.34Å
77T48Very low51.4Low139 Ų139131.8 Ų131.885%0.85375%0.747SS**  trans-59.3156.9171-1350000110.7
78A41.2Very low51.1Low95 Ų95133.3 Ų133.379%0.78576%0.755SS**  trans98.7111.317100000117.7
79G44.9Very low50.3Low71 Ų71135.8 Ų135.873%0.73276%0.76SS**  92.4111.1124.700000118.6
80Q46.7Very low49.1Very low168 Ų168135.7 Ų135.779%0.78578%0.778SS**  trans89.9114.5145-58.7-67.47.900119.8
81L50.2Low48.3Very low145 Ų145138.5 Ų138.576%0.75979%0.793SS**  trans58.794.7141.7-48.6176.5000117.9
82L44.7Very low47.1Very low172 Ų172135.4 Ų135.490%0.90179%0.79SS**  -179147.4115.3-94.1150.3000111
83S45.4Very low46.7Very low112 Ų112137.6 Ų137.678%0.78380%0.802SS**  trans-59.5125.5-169.9490000115.7
84G47.4Very low46Very low56 Ų56134.5 Ų134.558%0.57781%0.805SS**  88.592.6122.200000118.3
85F42.9Very low45.9Very low205 Ų205136.3 Ų136.390%0.89981%0.814SS**  trans-167.4132.8134.6-76.9-66.2000108.4R87F85-R87 PolarHBondContact O-N 3.12Å
86P47.6Very low45.3Very low128 Ų128132.5 Ų132.583%0.83181%0.809SS**  trans-78.9122.1175.229.6-29.2000110.9
87R46.9Very low45.1Very low227 Ų227131.9 Ų131.986%0.85782%0.816SS**  trans-68.9128.4166.7-76.1-96.2-173.8148.2-0.9109.6F85F85-R87 PolarHBondContact O-N 3.12Å
88I54.1Low45Very low169 Ų169128.3 Ų128.387%0.86781%0.807SS**  trans-88.4102.416548155000109.2
89N46Very low45.2Very low151 Ų151132 Ų13281%0.80781%0.81SS**  trans-131.7134.6168.9-107.256.7000109.3
90G37.3Very low45.1Very low75 Ų75137.4 Ų137.477%0.77381%0.809SS**  trans114.380.9154.400000116.4A92G90-A92 PolarHBondContact O-N 3.37Å
91L44.5Very low45Very low188 Ų188138.2 Ų138.298%0.98481%0.811SS**  trans-8297.1146.6-92.5121.7000107.1
92A39.7Very low44.5Very low88 Ų88136 Ų13673%0.72781%0.807SS**  trans-100.2120161.600000107.6G90 T94G90-A92 PolarHBondContact O-N 3.37Å; A92-T94 PolarHBondContact O-N 3Å
93A48.4Very low45.3Very low103 Ų103132.6 Ų132.685%0.85180%0.795SS**  trans-64.2127171.100000109.5
94T44.5Very low45.2Very low129 Ų129131.7 Ų131.779%0.79180%0.795SS**  trans-121.9104.5163.158.30000108.3A92A92-T94 PolarHBondContact O-N 3Å
95T46.1Very low44.8Very low144 Ų144134.9 Ų134.988%0.88380%0.803SS**  trans-58.1123.315946.50000109.6
96A40.3Very low45.3Very low100 Ų100131 Ų13183%0.82680%0.801SS**  trans-152.8137.9158.700000110
97A39.7Very low45.1Very low105 Ų105135.4 Ų135.487%0.86880%0.801SS**  trans-76.5153-162.400000114.8
98G46.7Very low44.9Very low63 Ų63135 Ų13565%0.64980%0.801SS**  trans53.6108.4142.600000118.8
99M45.5Very low44.6Very low173 Ų173132.8 Ų132.885%0.85280%0.798SS**  trans-146.8135.1136.7-78.2-52.7158.500110.7
100Y42.7Very low44.8Very low185 Ų185134.4 Ų134.473%0.72580%0.797SS**  trans-41.1145.1179.359.2-82.2000117.1
101F44.9Very low45.5Very low184 Ų184136.3 Ų136.381%0.80780%0.796SS**  trans-77.3132.6169.4-177.5-99.7000110.8P103F101-P103 HydrophobicContact CE1-CB 4.16Å; F101-P103 HydrophobicContact CE1-CG 4.04Å; F101-P103 HydrophobicContact CZ-CB 4.29Å
102S40.1Very low45.8Very low99 Ų99135.4 Ų135.469%0.69279%0.791SS**  trans-141126.6163.3-97.40000109.6
103P59.8Low46.5Very low100 Ų100135.1 Ų135.165%0.64979%0.789SS**  trans-97.6128.1179.835.1-27.3000110.2F101F101-P103 HydrophobicContact CE1-CB 4.16Å; F101-P103 HydrophobicContact CE1-CG 4.04Å; F101-P103 HydrophobicContact CZ-CB 4.29Å
104A43.9Very low46.6Very low93 Ų93139 Ų13977%0.76979%0.79SS**  trans166.7144.613700000112.6
105V39.4Very low46.8Very low123 Ų123138.9 Ų138.975%0.74578%0.784SS**  trans81.8102.1162.6-155.90000117.2R107V105-R107 PolarHBondContact O-N 3.43Å
106S53.7Low47Very low123 Ų123138.7 Ų138.786%0.8679%0.785SS**  trans-31.7111159-58.90000113.5
107R43.9Very low47.7Very low221 Ų221138.1 Ų138.183%0.83479%0.788SS**  trans-132.2127.9154.3-63.9-165.6-151.7-135.18.1108.3V105V105-R107 PolarHBondContact O-N 3.43Å
108Y42.7Very low48.3Very low219 Ų219143.5 Ų143.586%0.85979%0.787SS**  trans-43.5142.7174.5-80.2-98.8000112.1K110Y108-K110 PolarHBondContact O-N 2.9Å; Y108-K110 VanDerWaalsContact O-N 3.09Å
109P47.3Very low48.7Very low123 Ų123144.6 Ų144.680%0.79979%0.789SS**  trans-66.4115.9174.428.3-30.8000108.5
110K49.8Very low49.4Very low184 Ų184141.9 Ų141.980%0.878%0.784SS**  trans-58.4136.9169.4-76.7153176.3169.90108.7Y108 L112Y108-K110 PolarHBondContact O-N 2.9Å; Y108-K110 VanDerWaalsContact O-N 3.09Å; K110-L112 PolarHBondContact O-N 3.14Å
111P51.6Low50.6Low115 Ų115139.4 Ų139.475%0.74778%0.783SS**  trans-62.7131.5174.926.3-31.6000109A113P111-A113 PolarHBondContact O-N 2.85Å
112L51.2Low51.3Low169 Ų169138.2 Ų138.289%0.88578%0.777SS**SBendtrans-64.646.8177.6-173.267.9000112.4K110K110-L112 PolarHBondContact O-N 3.14Å
113A53.4Low52.6Low82 Ų82142.5 Ų142.568%0.67878%0.778SS**  trans-94.1-6.1-167.800000114.6P111P111-A113 PolarHBondContact O-N 2.85Å
114E50.8Low51.9Low184 Ų184142.8 Ų142.886%0.8678%0.78SS**  trans-12281.5-179.4-73.7-165.7143.600111.6
115L48.5Very low52.5Low128 Ų128141 Ų14167%0.6777%0.77SS**  trans-125.8123.2148.8-73.6175.6000107.2G117L115-G117 PolarHBondContact O-N 3.4Å
116P50.3Low53.5Low139 Ų139140.4 Ų140.490%0.90377%0.767SS**THydrogen-bonded Turntrans-64.4120.3177.625.4-31.3000109.1
117G55.3Low53.5Low88 Ų88142.6 Ų142.691%0.90777%0.766SS**THydrogen-bonded Turntrans115.9-0.7172.200000116.9L115L115-G117 PolarHBondContact O-N 3.4Å
118R53.8Low53.8Low219 Ų219140 Ų14083%0.82676%0.763SS**  trans-106.5112.2170.5-158.6165.6-173.1158.50.8110.3
119A53.7Low54.1Low86 Ų86133.6 Ų133.671%0.71176%0.763SS**  trans-55.3125.8173.500000108.9I121A119-I121 PolarHBondContact O-N 3.11Å
120P60.2Low54Low115 Ų115130.2 Ų130.275%0.74775%0.746SS**  trans-58.2135.7176.323.6-31.4000108.1F122P120-F122 PolarHBondContact O-N 3.01Å
121I69Low54.1Low134 Ų134127 Ų12769%0.68774%0.743SS**  trans-64.691172.4-60.2170.7000106.3A119 W123A119-I121 PolarHBondContact O-N 3.11Å; I121-W123 HydrophobicContact CG2-CZ2 4.38Å; I121-W123 PolarHBondContact O-N 2.98Å; I121-W123 VanDerWaalsContact O-N 3.14Å
122F59.2Low54.2Low158 Ų158132 Ų13269%0.69375%0.748SS**  trans-73.5102.8176.5177.5-109.8000106.9P120 P124P120-F122 PolarHBondContact O-N 3.01Å; F122-P124 HydrophobicContact CD1-CB 4.1Å; F122-P124 HydrophobicContact CD1-CG 3.75Å; F122-P124 HydrophobicContact CE1-CB 3.59Å; F122-P124 HydrophobicContact CE1-CG 3.76Å; F122-P124 HydrophobicContact CZ-CB 4.28Å; F122-P124 WeakPolarHBondContact O-CD 3.45Å
123W66.6Low54.1Low190 Ų190134 Ų13472%0.7274%0.743SS**  trans-76.1101.6163.4-65.698.9000107.1I121 G125 V126I121-W123 HydrophobicContact CG2-CZ2 4.38Å; I121-W123 PolarHBondContact O-N 2.98Å; I121-W123 VanDerWaalsContact O-N 3.14Å; W123-G125 PolarHBondContact O-N 3.41Å; W123-V126 HydrophobicContact CB-CB 4.44Å; W123-V126 PolarHBondContact O-N 2.86Å
124P46.5Very low53.6Low106 Ų106135.7 Ų135.769%0.68874%0.741SS**THydrogen-bonded Turntrans-64.9113.6179-10.628.4000107.1F122F122-P124 HydrophobicContact CD1-CB 4.1Å; F122-P124 HydrophobicContact CD1-CG 3.75Å; F122-P124 HydrophobicContact CE1-CB 3.59Å; F122-P124 HydrophobicContact CE1-CG 3.76Å; F122-P124 HydrophobicContact CZ-CB 4.28Å; F122-P124 WeakPolarHBondContact O-CD 3.45Å
125G56.8Low53.7Low54 Ų54132.1 Ų132.156%0.55773%0.734SS**THydrogen-bonded Turntrans115.70.9175.800000117.3W123W123-G125 PolarHBondContact O-N 3.41Å
126V59.7Low53.6Low112 Ų112136.3 Ų136.368%0.67974%0.741SS**SBendtrans-93.3-18.1174.5120.50000113.9W123W123-V126 HydrophobicContact CB-CB 4.44Å; W123-V126 PolarHBondContact O-N 2.86Å
127M53.2Low53.6Low169 Ų169135.6 Ų135.683%0.83373%0.734SS**SBendtrans-110.6-5.7-178.5-67.6-87.38900114.5
128Q50Low53.2Low167 Ų167137.4 Ų137.478%0.7873%0.729SS**SBendtrans-133.3113.7172.2-83.9173.6-11.300108.1A130Q128-A130 PolarHBondContact O-N 3Å; Q128-A130 VanDerWaalsContact O-N 3.08Å
129G49.4Very low52.5Low83 Ų83132 Ų13286%0.85672%0.724SS**  trans-52.5116.9176.200000109.9
130A46.1Very low52.2Low53 Ų53134.1 Ų134.144%0.43873%0.73SS.*  trans-67.3137.8-177.800000110.6Q128 W132Q128-A130 PolarHBondContact O-N 3Å; Q128-A130 VanDerWaalsContact O-N 3.08Å; A130-W132 PolarHBondContact O-N 3Å
131P51.4Low51.6Low115 Ų115133.7 Ų133.775%0.74773%0.73SS**SBendtrans-67.9-1.1-179.326.6-33.9000114.2R133 D134P131-R133 PolarHBondContact O-N 3.41Å; P131-D134 PolarHBondContact O-N 3.08Å
132W52.4Low50.8Low221 Ų221136.7 Ų136.784%0.83774%0.741SS**  trans-69.518.5172.7-49.2106.1000114.3A130A130-W132 PolarHBondContact O-N 3Å
133R50.8Low50.2Low211 Ų211132.7 Ų132.780%0.79674%0.737SS**  trans-119.450.6170-66.8-69.6-176.3-82.6-5108.5P131 P135P131-R133 PolarHBondContact O-N 3.41Å; R133-P135 VanDerWaalsContact O-CD 3.23Å; R133-P135 WeakPolarHBondContact O-CD 3.36Å
134D42.7Very low49.4Very low118 Ų118131.5 Ų131.563%0.63175%0.745SS**  trans-76.1114.4167.8-156.4-22.7000108.6P131 R136P131-D134 PolarHBondContact O-N 3.08Å; D134-R136 PolarHBondContact O-N 3.35Å; D134-R136 WeakPolarHBondContact OD1-CG 3.41Å
135P52.6Low49.7Very low108 Ų108133.1 Ų133.170%0.70175%0.747SS**  trans-82.75.9-176.3-5.925.4000113.5R133 V137R133-P135 VanDerWaalsContact O-CD 3.23Å; R133-P135 WeakPolarHBondContact O-CD 3.36Å; P135-V137 VanDerWaalsContact C-N 3.29Å; P135-V137 PolarHBondContact O-N 3.19Å; P135-V137 VanDerWaalsContact O-N 3.12Å
136R46.7Very low49.2Very low216 Ų216138 Ų13882%0.81576%0.757SS**  trans-86.935-168-61-162.7-147.3-158.27.4116.1D134D134-R136 PolarHBondContact O-N 3.35Å; D134-R136 WeakPolarHBondContact OD1-CG 3.41Å
137V50.7Low48.7Very low125 Ų125138.6 Ų138.676%0.75876%0.761SS**  trans-128.799.3164.6-172.30000109.2P135 C139P135-V137 VanDerWaalsContact C-N 3.29Å; P135-V137 PolarHBondContact O-N 3.19Å; P135-V137 VanDerWaalsContact O-N 3.12Å; V137-C139 PolarHBondContact O-N 2.98Å; V137-C139 VanDerWaalsContact O-N 3.1Å
138P45.2Very low48.8Very low126 Ų126135 Ų13582%0.81875%0.745SS**  trans-70.2103.9169.4-11.627.4000108.9
139C40.6Very low49.2Very low104 Ų104137.3 Ų137.370%0.70375%0.753SS**  trans-88.4126.8160.7-175.90000107.5V137 S141V137-C139 PolarHBondContact O-N 2.98Å; V137-C139 VanDerWaalsContact O-N 3.1Å; C139-S141 PolarHBondContact O-N 3.37Å
140P45.7Very low49.6Very low132 Ų132139.8 Ų139.886%0.85775%0.746SS**  trans-82.586-17833.8-30.7000108.6
141S48.4Very low50.3Low105 Ų105140.2 Ų140.273%0.73476%0.756SS**SBendtrans-144.4113.8160.8-165.30000109.3C139 A143C139-S141 PolarHBondContact O-N 3.37Å; S141-A143 PolarHBondContact O-N 3.48Å
142Q51.4Low50.6Low197 Ų197142.4 Ų142.492%0.92175%0.754SS**  trans-29.6114-172.5-65.6177.7-500114.6
143A46.6Very low51Low74 Ų74140.7 Ų140.761%0.61275%0.752SS**  trans-94.5118.5164.500000108.6S141 L145S141-A143 PolarHBondContact O-N 3.48Å; A143-L145 VanDerWaalsContact C-N 3.31Å; A143-L145 HydrophobicContact CB-CD2 3.97Å; A143-L145 HydrophobicContact CB-CG 4.21Å; A143-L145 PolarHBondContact O-N 2.99Å
144N50.8Low51.9Low165 Ų165139.1 Ų139.188%0.88275%0.751SS**  trans-69.892.6163.7-157.724.3000107.3M146N144-M146 PolarHBondContact O-N 3.34Å; N144-M146 VanDerWaalsContact O-N 3.17Å
145L51.7Low53.3Low141 Ų141142 Ų14274%0.73876%0.76SS**  trans-80.990.3-179.3-63.9174.7000108.9A143 V147A143-L145 VanDerWaalsContact C-N 3.31Å; A143-L145 HydrophobicContact CB-CD2 3.97Å; A143-L145 HydrophobicContact CB-CG 4.21Å; A143-L145 PolarHBondContact O-N 2.99Å; L145-V147 PolarHBondContact O-N 3.16Å
146M48.1Very low54.8Low156 Ų156141.8 Ų141.877%0.76876%0.762SS**  trans-77.9108.2166.4-151.7171.396.200107.6N144N144-M146 PolarHBondContact O-N 3.34Å; N144-M146 VanDerWaalsContact O-N 3.17Å
147V48.5Very low56.5Low125 Ų125141.9 Ų141.976%0.75876%0.762SS**  trans-88.9105.3-179.5-158.10000107.4L145L145-V147 PolarHBondContact O-N 3.16Å
148D55.1Low58.2Low93 Ų93141.8 Ų141.850%0.49776%0.764SS.*  trans-68.8149.7169-73.9-68.4000110.5D150 G151D148-D150 PolarHBondContact O-N 3.1Å; D148-G151 PolarHBondContact O-N 3.44Å; D148-G151 VanDerWaalsContact O-N 3.16Å
149K58Low60.5Low216 Ų216142 Ų14294%0.93976%0.763SS**THydrogen-bonded Turntrans-57.4-7.3-173.1-157.8174.6171.6-164.30115
150D58.4Low63.1Low134 Ų134140.1 Ų140.172%0.71774%0.743SS**THydrogen-bonded Turntrans-102.78.1-178.6-61-61.1000114.8D148 K152D148-D150 PolarHBondContact O-N 3.1Å; D150-K152 WeakPolarHBondContact O-CG 3.2Å; D150-K152 PolarHBondContact O-N 3.23Å
151G59.7Low65.6Low63 Ų63137 Ų13765%0.64972%0.724SS**  trans65.63.8170.600000115.7D148 K153D148-G151 PolarHBondContact O-N 3.44Å; D148-G151 VanDerWaalsContact O-N 3.16Å; G151-K153 PolarHBondContact O-N 3.34Å
152K58.5Low67.9Low161 Ų161134.6 Ų134.670%0.772%0.716SS**  trans-87.8105.1174.7-46.4-63.6178170.40108.5D150 K154D150-K152 WeakPolarHBondContact O-CG 3.2Å; D150-K152 PolarHBondContact O-N 3.23Å; K152-K154 VanDerWaalsContact C-N 3.32Å; K152-K154 PolarHBondContact O-N 3.24Å
153K61.4Low70.2Confident185 Ų185132.7 Ų132.780%0.80471%0.707SS**  trans-6184.7172.751.4-176.8175.2-176.50112.1G151 H155G151-K153 PolarHBondContact O-N 3.34Å; K153-H155 PolarHBondContact O-N 2.92Å
154K69.4Low72.6Confident177 Ų177131.1 Ų131.177%0.7769%0.687SS**  trans-74.3118.8168.5-67.2-161.6179.3-179.50107.8K152 S156K152-K154 VanDerWaalsContact C-N 3.32Å; K152-K154 PolarHBondContact O-N 3.24Å; K154-S156 VanDerWaalsContact C-N 3.29Å; K154-S156 PolarHBondContact O-N 3.09Å
155H71.9Confident74.8Confident179 Ų179126.8 Ų126.883%0.82966%0.663SS**  trans-67.194.3170.7-77.268.9000107.7K153K153-H155 PolarHBondContact O-N 2.92Å
156S84Confident77.1Confident104 Ų104126.7 Ų126.773%0.72766%0.657SS**PPolyproline II helixtrans-64.8137.7170.5-171.60000108.6K154 P158K154-S156 VanDerWaalsContact C-N 3.29Å; K154-S156 PolarHBondContact O-N 3.09Å; S156-P158 WeakPolarHBondContact O-CD 3.34Å
157R83.5Confident79.4Confident217 Ų217120.4 Ų120.482%0.81963%0.63SS**PPolyproline II helixtrans-63.7129.6176.2-72.2-178.3-177.6-890.7108T159R157-T159 PolarHBondContact O-N 3.47Å
158P86.3Confident81.8Confident123 Ų123114.4 Ų114.480%0.79959%0.594SS**PPolyproline II helixtrans-55.5127172.8-24.233.4000110S156S156-P158 WeakPolarHBondContact O-CD 3.34Å
159T93.1Very high83.9Confident130 Ų130111.6 Ų111.680%0.79858%0.578SS**PPolyproline II helixtrans-102.9144.117454.60000109.4R157R157-T159 PolarHBondContact O-N 3.47Å
160F95.7Very high85.8Confident65 Ų65106.8 Ų106.829%0.28556%0.557SS.*PPolyproline II helixtrans-77.3146.5173.9-56.8-49.8000110Q164 I165 M192 Q196 W200F160-Q164 HydrophobicContact CB-CB 4.31Å; F160-I165 HydrophobicContact CB-CD1 4.37Å; F160-I165 HydrophobicContact CB-CG1 3.94Å; F160-M192 HydrophobicContact CD1-CE 3.51Å; F160-M192 HydrophobicContact CD1-SD 4.44Å; F160-M192 HydrophobicContact CD2-CE 4.33Å; F160-M192 HydrophobicContact CE1-CE 3.28Å; F160-M192 HydrophobicContact CE2-CE 4.15Å; F160-M192 HydrophobicContact CG-CE 4.05Å; F160-M192 HydrophobicContact CZ-CE 3.63Å; F160-Q196 HydrophobicContact CZ-CB 4.38Å; F160-W200 AromaticContact CD2-CD1 3.73Å; F160-W200 AromaticContact CE2-CD1 3.67Å
161S97.4Very high87.7Confident67 Ų67101.7 Ų101.747%0.46953%0.531SS..PPolyproline II helixtrans-62.8153.2174171.50000111.2Q163 Q164 I165S161-Q163 VanDerWaalsContact C-N 3.25Å; S161-Q163 PolarHBondContact O-N 3.38Å; S161-Q163 PolarHBondContact OG-N 2.87Å; S161-Q164 WeakPolarHBondContact O-CB 3.46Å; S161-Q164 PolarHBondContact O-N 2.96Å; S161-Q164 VanDerWaalsContact O-N 3.07Å; S161-I165 WeakPolarHBondContact O-CG1 3.48Å; S161-I165 PolarHBondContact O-N 3.29Å
162G97.4Very high89.5Confident54 Ų5498.9 Ų98.956%0.55750%0.501SS*.Hα-helixtrans-55.8-39.5175.700000112.9Q164 I165 F166G162-Q164 PolarHBondContact O-N 3.42Å; G162-I165 PolarHBondContact O-N 3.48Å; G162-F166 WeakPolarHBondContact O-CB 3.23Å; G162-F166 PolarHBondContact O-N 2.88Å
163Q97.8Very high91.4Very high157 Ų15797.5 Ų97.573%0.73450%0.497SS*.Hα-helixtrans-63.8-40.2176.3-174.5-179.23.300112.1S161 F166 A167S161-Q163 VanDerWaalsContact C-N 3.25Å; S161-Q163 PolarHBondContact O-N 3.38Å; S161-Q163 PolarHBondContact OG-N 2.87Å; Q163-F166 PolarHBondContact O-N 3.23Å; Q163-A167 PolarHBondContact O-N 3.45Å; Q163-A167 VanDerWaalsContact O-N 3.13Å
164Q98Very high93.1Very high42 Ų4295.8 Ų95.820%0.19649%0.491CS..Hα-helixtrans-64.7-46.6176.6-68.1173.1-37.300110.6F160 S161 G162 F166 A167 L168 L190 M192F160-Q164 HydrophobicContact CB-CB 4.31Å; S161-Q164 WeakPolarHBondContact O-CB 3.46Å; S161-Q164 PolarHBondContact O-N 2.96Å; S161-Q164 VanDerWaalsContact O-N 3.07Å; G162-Q164 PolarHBondContact O-N 3.42Å; Q164-F166 VanDerWaalsContact C-N 3.33Å; Q164-F166 PolarHBondContact O-N 3.24Å; Q164-A167 PolarHBondContact O-N 2.93Å; Q164-L168 WeakPolarHBondContact O-CB 3.23Å; Q164-L168 WeakPolarHBondContact O-CD1 3.32Å; Q164-L168 WeakPolarHBondContact O-CG 3.41Å; Q164-L168 PolarHBondContact O-N 3.33Å; Q164-L190 HydrophobicContact CG-CB 4.49Å; Q164-L190 HydrophobicContact CG-CD2 4.42Å; Q164-L190 PolarHBondContact NE2-O 3.29Å; Q164-M192 HydrophobicContact CB-SD 4.2Å; Q164-M192 HydrophobicContact CG-SD 4.29Å
165I97.9Very high94.4Very high74 Ų7489.4 Ų89.438%0.37947%0.467SS..Hα-helixtrans-60.7-44.1178-64.5168.1000110.8F160 S161 G162 L168 E169F160-I165 HydrophobicContact CB-CD1 4.37Å; F160-I165 HydrophobicContact CB-CG1 3.94Å; S161-I165 WeakPolarHBondContact O-CG1 3.48Å; S161-I165 PolarHBondContact O-N 3.29Å; G162-I165 PolarHBondContact O-N 3.48Å; I165-L168 PolarHBondContact O-N 3.03Å; I165-E169 WeakPolarHBondContact O-CB 3.45Å; I165-E169 PolarHBondContact O-N 3Å
166F98.3Very high95.6Very high138 Ų13883.7 Ų83.761%0.60544%0.44SS*.Hα-helixtrans-59.8-48.8179.5174.7-99.7000112.2G162 Q163 Q164 L168 E169 K170G162-F166 WeakPolarHBondContact O-CB 3.23Å; G162-F166 PolarHBondContact O-N 2.88Å; Q163-F166 PolarHBondContact O-N 3.23Å; Q164-F166 VanDerWaalsContact C-N 3.33Å; Q164-F166 PolarHBondContact O-N 3.24Å; F166-L168 PolarHBondContact O-N 3.45Å; F166-E169 PolarHBondContact O-N 2.74Å; F166-K170 WeakPolarHBondContact O-CB 3.44Å; F166-K170 PolarHBondContact O-N 2.81Å
167A97.9Very high96.3Very high24 Ų2485.8 Ų85.820%0.19843%0.433CS..Hα-helixtrans-66.3-38.4178.900000112.5Q163 Q164 E169 K170 T171 L190Q163-A167 PolarHBondContact O-N 3.45Å; Q163-A167 VanDerWaalsContact O-N 3.13Å; Q164-A167 PolarHBondContact O-N 2.93Å; A167-E169 VanDerWaalsContact C-N 3.34Å; A167-K170 PolarHBondContact O-N 3.02Å; A167-T171 WeakPolarHBondContact O-CB 3.36Å; A167-T171 PolarHBondContact O-N 3.33Å; A167-T171 PolarHBondContact O-OG1 2.78Å; A167-L190 HydrophobicContact CB-CD1 4.27Å; A167-L190 HydrophobicContact CB-CD2 3.67Å; A167-L190 HydrophobicContact CB-CG 4.47Å
168L98.5Very high97Very high0 Ų076.4 Ų76.40%040%0.399CS..Hα-helixtrans-61-43.9174.3-72.8165000111.2Q164 I165 F166 T171 F172 L186 L190 M192 V197 W200 F201Q164-L168 WeakPolarHBondContact O-CB 3.23Å; Q164-L168 WeakPolarHBondContact O-CD1 3.32Å; Q164-L168 WeakPolarHBondContact O-CG 3.41Å; Q164-L168 PolarHBondContact O-N 3.33Å; I165-L168 PolarHBondContact O-N 3.03Å; F166-L168 PolarHBondContact O-N 3.45Å; L168-T171 PolarHBondContact O-N 2.91Å; L168-F172 WeakPolarHBondContact O-CB 3.26Å; L168-F172 PolarHBondContact O-N 3Å; L168-L186 HydrophobicContact CD2-CD2 3.93Å; L168-L190 HydrophobicContact CD1-CD1 4.48Å; L168-L190 HydrophobicContact CD2-CD1 3.93Å; L168-L190 HydrophobicContact CG-CD1 3.77Å; L168-M192 HydrophobicContact CD1-CE 4.28Å; L168-M192 HydrophobicContact CD1-SD 4.15Å; L168-V197 HydrophobicContact CD2-CG1 4.2Å; L168-V197 HydrophobicContact CD2-CG2 4.49Å; L168-W200 HydrophobicContact CB-CD2 3.96Å; L168-W200 HydrophobicContact CB-CE3 3.9Å; L168-W200 HydrophobicContact CB-CH2 3.66Å; L168-W200 HydrophobicContact CB-CZ2 3.68Å; L168-W200 HydrophobicContact CB-CZ3 3.76Å; L168-W200 HydrophobicContact CD1-CD2 3.84Å; L168-W200 HydrophobicContact CD1-CE3 4.49Å; L168-W200 HydrophobicContact CD1-CG 3.83Å; L168-W200 HydrophobicContact CD1-CZ2 4.48Å; L168-W200 HydrophobicContact CD2-CD2 4.32Å; L168-W200 HydrophobicContact CD2-CE3 4.23Å; L168-W200 HydrophobicContact CG-CD2 4.27Å; L168-W200 HydrophobicContact CG-CE3 4.44Å; L168-F201 HydrophobicContact CD2-CD2 4.47Å; L168-F201 HydrophobicContact CD2-CE2 3.96Å
169E98.4Very high97.5Very high34 Ų3473 Ų7316%0.15938%0.381CS..Hα-helixtrans-66.7-46.6178.2-164.263.9-128.400111.9I165 F166 A167 T171 F172 E173 W200 R204I165-E169 WeakPolarHBondContact O-CB 3.45Å; I165-E169 PolarHBondContact O-N 3Å; F166-E169 PolarHBondContact O-N 2.74Å; A167-E169 VanDerWaalsContact C-N 3.34Å; E169-T171 VanDerWaalsContact C-N 3.26Å; E169-T171 PolarHBondContact O-N 3.46Å; E169-F172 WeakPolarHBondContact O-CA 3.32Å; E169-F172 WeakPolarHBondContact O-CB 3.44Å; E169-F172 PolarHBondContact O-N 3.49Å; E169-E173 PolarHBondContact O-N 3.31Å; E169-W200 HydrophobicContact CB-CH2 4.45Å; E169-R204 VanDerWaalsContact CD-NE 3.31Å; E169-R204 IonicContact OE1-CZ 2.63Å; E169-R204 IonicContact OE1-NE 2.94Å; E169-R204 PolarHBondContact OE1-NE 3.16Å; E169-R204 IonicContact OE1-NH1 3.29Å; E169-R204 IonicContact OE1-NH2 3.98Å; E169-R204 PolarHBondContact OE1-NH2 3.43Å; E169-R204 IonicContact OE2-CZ 3.25Å; E169-R204 IonicContact OE2-NE 3.85Å; E169-R204 PolarHBondContact OE2-NE 2.87Å; E169-R204 IonicContact OE2-NH1 2.95Å; E169-R204 PolarHBondContact OE2-NH1 3.14Å; E169-R204 IonicContact OE2-NH2 3.27Å; E169-R204 PolarHBondContact OE2-NH2 3.37Å
170K98.3Very high97.7Very high114 Ų11468.4 Ų68.450%0.49636%0.36SS..Hα-helixtrans-55.5-43.3175.6-175.7178.3-177.8179.70111.8F166 A167 Q174F166-K170 WeakPolarHBondContact O-CB 3.44Å; F166-K170 PolarHBondContact O-N 2.81Å; A167-K170 PolarHBondContact O-N 3.02Å; K170-Q174 PolarHBondContact O-N 3.01Å
171T97.6Very high97.8Very high28 Ų2869.9 Ų69.917%0.17238%0.376CS..Hα-helixtrans-69.6-37.3177.2-47.60000111.2A167 L168 E169 E173 Q174 T175 L178 L186 F201A167-T171 WeakPolarHBondContact O-CB 3.36Å; A167-T171 PolarHBondContact O-N 3.33Å; A167-T171 PolarHBondContact O-OG1 2.78Å; L168-T171 PolarHBondContact O-N 2.91Å; E169-T171 VanDerWaalsContact C-N 3.26Å; E169-T171 PolarHBondContact O-N 3.46Å; T171-E173 VanDerWaalsContact C-N 3.32Å; T171-E173 PolarHBondContact O-N 3.44Å; T171-Q174 WeakPolarHBondContact O-CB 3.1Å; T171-Q174 PolarHBondContact O-N 3.5Å; T171-T175 HydrophobicContact CG2-CG2 4.46Å; T171-T175 PolarHBondContact O-N 3.36Å; T171-L178 HydrophobicContact CG2-CD2 3.93Å; T171-L186 HydrophobicContact CG2-CD2 4.11Å; T171-F201 HydrophobicContact CG2-CZ 4.29Å
172F98.4Very high97.9Very high4 Ų470.3 Ų70.32%0.01837%0.37CS..Hα-helixtrans-64-35.6177.4-175.2-99.8000112.9L168 E169 Q174 T175 K176 W200 F201 R204 R205 W208L168-F172 WeakPolarHBondContact O-CB 3.26Å; L168-F172 PolarHBondContact O-N 3Å; E169-F172 WeakPolarHBondContact O-CA 3.32Å; E169-F172 WeakPolarHBondContact O-CB 3.44Å; E169-F172 PolarHBondContact O-N 3.49Å; F172-Q174 VanDerWaalsContact C-N 3.32Å; F172-T175 CarbonylContact C-O 3.38Å; F172-T175 WeakPolarHBondContact CA-O 3.5Å; F172-T175 CarbonylContact O-C 3.36Å; F172-K176 HydrophobicContact CD1-CD 3.96Å; F172-K176 HydrophobicContact CD2-CD 4.29Å; F172-K176 HydrophobicContact CE1-CD 3.43Å; F172-K176 VanDerWaalsContact CE1-CD 3.43Å; F172-K176 HydrophobicContact CE2-CB 4.22Å; F172-K176 HydrophobicContact CE2-CD 3.81Å; F172-K176 HydrophobicContact CG-CD 4.36Å; F172-K176 HydrophobicContact CZ-CB 4.44Å; F172-K176 HydrophobicContact CZ-CD 3.35Å; F172-K176 HydrophobicContact CZ-CG 4.46Å; F172-K176 WeakPolarHBondContact O-CD 3.35Å; F172-K176 WeakPolarHBondContact O-CE 3.48Å; F172-K176 PolarHBondContact O-NZ 3.16Å; F172-W200 HydrophobicContact CB-CH2 4.47Å; F172-W200 HydrophobicContact CB-CZ3 4.14Å; F172-W200 HydrophobicContact CG-CZ3 4.48Å; F172-F201 HydrophobicContact CB-CE1 4.21Å; F172-F201 HydrophobicContact CB-CZ 4.3Å; F172-F201 AromaticContact CD2-CD1 3.85Å; F172-F201 HydrophobicContact CD2-CD1 3.85Å; F172-F201 AromaticContact CD2-CE1 3.78Å; F172-F201 HydrophobicContact CD2-CE1 3.78Å; F172-F201 HydrophobicContact CE2-CD1 4.49Å; F172-R204 HydrophobicContact CD1-CG 3.62Å; F172-R204 HydrophobicContact CD2-CB 4.21Å; F172-R204 HydrophobicContact CD2-CG 3.64Å; F172-R204 HydrophobicContact CE1-CG 3.58Å; F172-R204 HydrophobicContact CE2-CB 4.05Å; F172-R204 HydrophobicContact CE2-CG 3.61Å; F172-R204 HydrophobicContact CG-CG 3.65Å; F172-R204 HydrophobicContact CZ-CB 4.32Å; F172-R204 HydrophobicContact CZ-CG 3.57Å; F172-R205 HydrophobicContact CE2-CG 3.82Å; F172-R205 HydrophobicContact CZ-CG 4.23Å; F172-W208 HydrophobicContact CE1-CB 4.47Å; F172-W208 HydrophobicContact CE1-CG 4.49Å; F172-W208 HydrophobicContact CZ-CB 4.23Å; F172-W208 HydrophobicContact CZ-CG 4.39Å
173E97.9Very high97.9Very high132 Ų13270.6 Ų70.662%0.61736%0.355SS*.Hα-helixtrans-60.3-43.3173.7-73.3173.6-179.400111.3E169 T171 K176E169-E173 PolarHBondContact O-N 3.31Å; T171-E173 VanDerWaalsContact C-N 3.32Å; T171-E173 PolarHBondContact O-N 3.44Å; E173-K176 PolarHBondContact O-NZ 3Å
174Q97.5Very high97.9Very high148 Ų14864.8 Ų64.869%0.69233%0.334SS*.Hα-helixtrans-69.3-47.3177.6-63.5174.4-10.900112.5K170 T171 F172K170-Q174 PolarHBondContact O-N 3.01Å; T171-Q174 WeakPolarHBondContact O-CB 3.1Å; T171-Q174 PolarHBondContact O-N 3.5Å; F172-Q174 VanDerWaalsContact C-N 3.32Å
175T97.3Very high98Very high44 Ų4470.7 Ų70.727%0.2735%0.354SS..  trans-140.8128.8178.6179.40000111.8T171 F172 Y177 L178T171-T175 HydrophobicContact CG2-CG2 4.46Å; T171-T175 PolarHBondContact O-N 3.36Å; F172-T175 CarbonylContact C-O 3.38Å; F172-T175 WeakPolarHBondContact CA-O 3.5Å; F172-T175 CarbonylContact O-C 3.36Å; T175-Y177 VanDerWaalsContact C-N 3.27Å; T175-Y177 PolarHBondContact O-N 3.11Å; T175-Y177 PolarHBondContact OG1-N 3.43Å; T175-Y177 PolarHBondContact OG1-O 3.45Å; T175-L178 HydrophobicContact CG2-CD2 3.62Å
176K97.4Very high98Very high59 Ų5968.2 Ų68.226%0.25734%0.342SS..SBendtrans-77.8-16.6179.7-54.4-66169.4-71.40112.3F172 E173 R205F172-K176 HydrophobicContact CD1-CD 3.96Å; F172-K176 HydrophobicContact CD2-CD 4.29Å; F172-K176 HydrophobicContact CE1-CD 3.43Å; F172-K176 VanDerWaalsContact CE1-CD 3.43Å; F172-K176 HydrophobicContact CE2-CB 4.22Å; F172-K176 HydrophobicContact CE2-CD 3.81Å; F172-K176 HydrophobicContact CG-CD 4.36Å; F172-K176 HydrophobicContact CZ-CB 4.44Å; F172-K176 HydrophobicContact CZ-CD 3.35Å; F172-K176 HydrophobicContact CZ-CG 4.46Å; F172-K176 WeakPolarHBondContact O-CD 3.35Å; F172-K176 WeakPolarHBondContact O-CE 3.48Å; F172-K176 PolarHBondContact O-NZ 3.16Å; E173-K176 PolarHBondContact O-NZ 3Å; K176-R205 VanDerWaalsContact O-CD 3.29Å; K176-R205 WeakPolarHBondContact O-CD 3.29Å
177Y97.9Very high98Very high147 Ų14761.8 Ų61.858%0.57631%0.314SS*.SBendtrans-135.4121.4-176.4-63.6-102.5000109.7T175 R205T175-Y177 VanDerWaalsContact C-N 3.27Å; T175-Y177 PolarHBondContact O-N 3.11Å; T175-Y177 PolarHBondContact OG1-N 3.43Å; T175-Y177 PolarHBondContact OG1-O 3.45Å; Y177-R205 VanDerWaalsContact CD1-NH1 3.3Å
178L97.3Very high98Very high21 Ų2170.5 Ų70.511%0.1134%0.344CS..  trans-91.9131.7177.6-70175.1000112.2T171 T175 E182 R183 L186 V197 F201T171-L178 HydrophobicContact CG2-CD2 3.93Å; T175-L178 HydrophobicContact CG2-CD2 3.62Å; L178-E182 HydrophobicContact CD2-CB 4.03Å; L178-R183 HydrophobicContact CB-CB 4.29Å; L178-R183 PolarHBondContact O-NH2 3.5Å; L178-L186 HydrophobicContact CD1-CD2 3.8Å; L178-V197 HydrophobicContact CD1-CG1 3.87Å; L178-F201 HydrophobicContact CD1-CD1 4.11Å; L178-F201 HydrophobicContact CD1-CD2 3.76Å; L178-F201 HydrophobicContact CD1-CE1 3.72Å; L178-F201 HydrophobicContact CD1-CE2 3.34Å; L178-F201 HydrophobicContact CD1-CG 4.14Å; L178-F201 HydrophobicContact CD1-CZ 3.33Å; L178-F201 HydrophobicContact CD2-CE1 4.31Å; L178-F201 HydrophobicContact CD2-CZ 4.26Å; L178-F201 HydrophobicContact CG-CD1 4Å; L178-F201 HydrophobicContact CG-CE1 3.57Å; L178-F201 HydrophobicContact CG-CE2 4.16Å; L178-F201 HydrophobicContact CG-CG 4.47Å; L178-F201 HydrophobicContact CG-CZ 3.68Å
179A97.7Very high97.9Very high51 Ų5175.1 Ų75.142%0.42138%0.375SS..  trans-69.2162.6166.700000111.2E182 R183A179-E182 HydrophobicContact CB-CG 4.24Å; A179-E182 PolarHBondContact N-OE2 3.3Å; A179-E182 PolarHBondContact O-N 3.2Å; A179-R183 WeakPolarHBondContact O-CB 3.36Å; A179-R183 PolarHBondContact O-N 3.41Å
180G97.8Very high97.9Very high33 Ų3374.8 Ų74.834%0.3438%0.375SS..Hα-helixtrans-52.1-55.1179.600000113.4E182 R183 A184G180-E182 VanDerWaalsContact C-N 3.35Å; G180-E182 PolarHBondContact O-N 2.94Å; G180-R183 WeakPolarHBondContact O-CB 3.47Å; G180-R183 PolarHBondContact O-N 3.22Å; G180-A184 PolarHBondContact O-N 3.17Å
181P98.1Very high97.9Very high97 Ų9772.7 Ų72.763%0.6339%0.386SS*.Hα-helixtrans-62.6-36.7-179.3-2534.9000114.1R185P181-R185 WeakPolarHBondContact O-CG 3.39Å; P181-R185 PolarHBondContact O-N 2.83Å; P181-R185 VanDerWaalsContact O-N 3.12Å
182E97.9Very high97.8Very high75 Ų7572.2 Ų72.235%0.3538%0.382SS..Hα-helixtrans-68.7-40.3177.8-57.2-175.714300111.7L178 A179 G180 R185 L186L178-E182 HydrophobicContact CD2-CB 4.03Å; A179-E182 HydrophobicContact CB-CG 4.24Å; A179-E182 PolarHBondContact N-OE2 3.3Å; A179-E182 PolarHBondContact O-N 3.2Å; G180-E182 VanDerWaalsContact C-N 3.35Å; G180-E182 PolarHBondContact O-N 2.94Å; E182-R185 PolarHBondContact O-N 3.38Å; E182-L186 PolarHBondContact O-N 3.36Å
183R98.5Very high97.8Very high60 Ų6075.7 Ų75.723%0.22640%0.403CS..Hα-helixtrans-62-44.7175.4-170.9-167.8-52.31288.9111.4L178 A179 G180 L186 A187 E194 V197L178-R183 HydrophobicContact CB-CB 4.29Å; L178-R183 PolarHBondContact O-NH2 3.5Å; A179-R183 WeakPolarHBondContact O-CB 3.36Å; A179-R183 PolarHBondContact O-N 3.41Å; G180-R183 WeakPolarHBondContact O-CB 3.47Å; G180-R183 PolarHBondContact O-N 3.22Å; R183-L186 PolarHBondContact O-N 2.9Å; R183-A187 WeakPolarHBondContact O-CB 3.42Å; R183-A187 PolarHBondContact O-N 2.86Å; R183-E194 WeakPolarHBondContact CD-O 3.4Å; R183-E194 HydrophobicContact CG-CB 4.34Å; R183-E194 HydrophobicContact CG-CG 4.43Å; R183-V197 HydrophobicContact CG-CB 4.13Å; R183-V197 HydrophobicContact CG-CG1 3.93Å
184A98.4Very high97.9Very high36 Ų3673.7 Ų73.730%0.29839%0.394SS..Hα-helixtrans-60-45.5177.200000111.5G180 A187 Y188 E194G180-A184 PolarHBondContact O-N 3.17Å; A184-A187 PolarHBondContact O-N 3Å; A184-Y188 WeakPolarHBondContact O-CB 3.18Å; A184-Y188 PolarHBondContact O-N 2.77Å; A184-E194 HydrophobicContact CB-CG 4.41Å
185R98.3Very high97.9Very high165 Ų16570.4 Ų70.462%0.62339%0.387SS*.Hα-helixtrans-59.9-48.6175.8-73.8-172.7-68.6144.3-5.1112.4P181 E182 A187 Y188 S189P181-R185 WeakPolarHBondContact O-CG 3.39Å; P181-R185 PolarHBondContact O-N 2.83Å; P181-R185 VanDerWaalsContact O-N 3.12Å; E182-R185 PolarHBondContact O-N 3.38Å; R185-A187 PolarHBondContact O-N 3.3Å; R185-Y188 PolarHBondContact O-N 2.79Å; R185-S189 PolarHBondContact O-N 3.45Å; R185-S189 PolarHBondContact O-OG 3.34Å
186L98.1Very high97.9Very high22 Ų2272 Ų7212%0.11539%0.392CS..Hα-helixtrans-65.1-40.3-179.1-173.762.5000112.3L168 T171 L178 E182 R183 S189 L190 V197 F201L168-L186 HydrophobicContact CD2-CD2 3.93Å; T171-L186 HydrophobicContact CG2-CD2 4.11Å; L178-L186 HydrophobicContact CD1-CD2 3.8Å; E182-L186 PolarHBondContact O-N 3.36Å; R183-L186 PolarHBondContact O-N 2.9Å; L186-S189 PolarHBondContact O-N 3.19Å; L186-L190 HydrophobicContact CD1-CD1 3.85Å; L186-L190 HydrophobicContact CD1-CG 4.26Å; L186-L190 HydrophobicContact CG-CD1 3.99Å; L186-L190 WeakPolarHBondContact O-CB 3.38Å; L186-L190 WeakPolarHBondContact O-CG 3.49Å; L186-L190 PolarHBondContact O-N 2.81Å; L186-L190 VanDerWaalsContact O-N 3.1Å; L186-V197 HydrophobicContact CD2-CG1 4.01Å; L186-F201 HydrophobicContact CD2-CE2 3.98Å; L186-F201 HydrophobicContact CD2-CZ 4.35Å
187A98.4Very high97.9Very high4 Ų469.2 Ų69.23%0.03338%0.38CS..Hα-helixtrans-59.4-48175.900000110.9R183 A184 R185 L190 G191 M192 E194 V197R183-A187 WeakPolarHBondContact O-CB 3.42Å; R183-A187 PolarHBondContact O-N 2.86Å; A184-A187 PolarHBondContact O-N 3Å; R185-A187 PolarHBondContact O-N 3.3Å; A187-L190 PolarHBondContact O-N 3.01Å; A187-G191 PolarHBondContact O-N 3.48Å; A187-G191 VanDerWaalsContact O-N 3.09Å; A187-M192 CarbonylContact C-O 3.59Å; A187-M192 WeakPolarHBondContact CB-O 3.48Å; A187-M192 PolarHBondContact O-N 3.22Å; A187-M192 VanDerWaalsContact O-O 3.08Å; A187-E194 HydrophobicContact CB-CG 4.02Å; A187-V197 HydrophobicContact CB-CG2 3.91Å
188Y98.3Very high97.9Very high207 Ų20768.2 Ų68.281%0.81238%0.378SS*.Hα-helixtrans-60.1-49.8176.7-176.3-97.7000112.1A184 R185 L190 G191A184-Y188 WeakPolarHBondContact O-CB 3.18Å; A184-Y188 PolarHBondContact O-N 2.77Å; R185-Y188 PolarHBondContact O-N 2.79Å; Y188-L190 PolarHBondContact O-N 2.92Å; Y188-G191 PolarHBondContact O-N 2.92Å
189S97.6Very high98Very high96 Ų9670.8 Ų70.867%0.67140%0.395SS*.Hα-helixtrans-61.9-28.6-179.7-61.40000114R185 L186R185-S189 PolarHBondContact O-N 3.45Å; R185-S189 PolarHBondContact O-OG 3.34Å; L186-S189 PolarHBondContact O-N 3.19Å
190L97.3Very high98Very high27 Ų2769.9 Ų69.914%0.14138%0.38CS..Hα-helixtrans-97.6-2.9-178.5-66.9177.7000114.3Q164 A167 L168 L186 A187 Y188 M192Q164-L190 HydrophobicContact CG-CB 4.49Å; Q164-L190 HydrophobicContact CG-CD2 4.42Å; Q164-L190 PolarHBondContact NE2-O 3.29Å; A167-L190 HydrophobicContact CB-CD1 4.27Å; A167-L190 HydrophobicContact CB-CD2 3.67Å; A167-L190 HydrophobicContact CB-CG 4.47Å; L168-L190 HydrophobicContact CD1-CD1 4.48Å; L168-L190 HydrophobicContact CD2-CD1 3.93Å; L168-L190 HydrophobicContact CG-CD1 3.77Å; L186-L190 HydrophobicContact CD1-CD1 3.85Å; L186-L190 HydrophobicContact CD1-CG 4.26Å; L186-L190 HydrophobicContact CG-CD1 3.99Å; L186-L190 WeakPolarHBondContact O-CB 3.38Å; L186-L190 WeakPolarHBondContact O-CG 3.49Å; L186-L190 PolarHBondContact O-N 2.81Å; L186-L190 VanDerWaalsContact O-N 3.1Å; A187-L190 PolarHBondContact O-N 3.01Å; Y188-L190 PolarHBondContact O-N 2.92Å; L190-M192 VanDerWaalsContact C-N 3.26Å; L190-M192 HydrophobicContact CB-CB 4.47Å; L190-M192 HydrophobicContact CB-CG 3.94Å; L190-M192 HydrophobicContact CB-SD 3.97Å; L190-M192 HydrophobicContact CD1-SD 4.15Å; L190-M192 PolarHBondContact O-N 3.46Å
191G97.5Very high98Very high71 Ų7168.6 Ų68.673%0.73237%0.366SS*.THydrogen-bonded Turntrans63.232.8-172.900000112.8A187 Y188A187-G191 PolarHBondContact O-N 3.48Å; A187-G191 VanDerWaalsContact O-N 3.09Å; Y188-G191 PolarHBondContact O-N 2.92Å
192M97.5Very high98Very high17 Ų1768 Ų688%0.08435%0.354CS..  trans-113160.7-179.7-62178.367.200110.1F160 Q164 L168 A187 L190 Q196 V197F160-M192 HydrophobicContact CD1-CE 3.51Å; F160-M192 HydrophobicContact CD1-SD 4.44Å; F160-M192 HydrophobicContact CD2-CE 4.33Å; F160-M192 HydrophobicContact CE1-CE 3.28Å; F160-M192 HydrophobicContact CE2-CE 4.15Å; F160-M192 HydrophobicContact CG-CE 4.05Å; F160-M192 HydrophobicContact CZ-CE 3.63Å; Q164-M192 HydrophobicContact CB-SD 4.2Å; Q164-M192 HydrophobicContact CG-SD 4.29Å; L168-M192 HydrophobicContact CD1-CE 4.28Å; L168-M192 HydrophobicContact CD1-SD 4.15Å; A187-M192 CarbonylContact C-O 3.59Å; A187-M192 WeakPolarHBondContact CB-O 3.48Å; A187-M192 PolarHBondContact O-N 3.22Å; A187-M192 VanDerWaalsContact O-O 3.08Å; L190-M192 VanDerWaalsContact C-N 3.26Å; L190-M192 HydrophobicContact CB-CB 4.47Å; L190-M192 HydrophobicContact CB-CG 3.94Å; L190-M192 HydrophobicContact CB-SD 3.97Å; L190-M192 HydrophobicContact CD1-SD 4.15Å; L190-M192 PolarHBondContact O-N 3.46Å; M192-Q196 HydrophobicContact CE-CB 3.88Å; M192-V197 HydrophobicContact CB-CG2 4.22Å
193T98.2Very high98Very high77 Ų7769 Ų6947%0.47236%0.362SS..  trans-79.6149.6169.8630000110.8S195 Q196 V197T193-S195 PolarHBondContact O-N 2.86Å; T193-S195 VanDerWaalsContact O-N 3.14Å; T193-Q196 WeakPolarHBondContact O-CB 3.38Å; T193-Q196 PolarHBondContact O-N 2.9Å; T193-Q196 VanDerWaalsContact OG1-CD 3.3Å; T193-Q196 VanDerWaalsContact OG1-CG 3.23Å; T193-Q196 WeakPolarHBondContact OG1-CG 3.43Å; T193-Q196 PolarHBondContact OG1-N 3.25Å; T193-Q196 PolarHBondContact OG1-OE1 3.4Å; T193-V197 PolarHBondContact O-N 2.97Å; T193-V197 VanDerWaalsContact O-N 3.11Å
194E98.2Very high98Very high91 Ų9169.4 Ų69.443%0.42536%0.363SS..Hα-helixtrans-53.9-35.3173.5-73.9-171.2-117.600112.6R183 A184 A187 V197 K198R183-E194 WeakPolarHBondContact CD-O 3.4Å; R183-E194 HydrophobicContact CG-CB 4.34Å; R183-E194 HydrophobicContact CG-CG 4.43Å; A184-E194 HydrophobicContact CB-CG 4.41Å; A187-E194 HydrophobicContact CB-CG 4.02Å; E194-V197 PolarHBondContact O-N 3.44Å; E194-K198 WeakPolarHBondContact O-CB 3.38Å; E194-K198 PolarHBondContact O-N 2.94Å
195S98.1Very high98Very high78 Ų7869.8 Ų69.855%0.54536%0.357SS..Hα-helixtrans-63.4-44.6176.5-172.20000111.9T193 V197 K198 V199T193-S195 PolarHBondContact O-N 2.86Å; T193-S195 VanDerWaalsContact O-N 3.14Å; S195-V197 PolarHBondContact O-N 2.63Å; S195-K198 WeakPolarHBondContact O-CB 3.42Å; S195-K198 PolarHBondContact O-N 3.13Å; S195-V199 VanDerWaalsContact O-CG2 3.32Å; S195-V199 WeakPolarHBondContact O-CG2 3.46Å; S195-V199 PolarHBondContact O-N 2.93Å
196Q97.8Very high97.9Very high78 Ų7864.1 Ų64.136%0.36434%0.341SS..Hα-helixtrans-62-43.6175.9-73.8164-48.300111.6F160 M192 T193 V199 W200F160-Q196 HydrophobicContact CZ-CB 4.38Å; M192-Q196 HydrophobicContact CE-CB 3.88Å; T193-Q196 WeakPolarHBondContact O-CB 3.38Å; T193-Q196 PolarHBondContact O-N 2.9Å; T193-Q196 VanDerWaalsContact OG1-CD 3.3Å; T193-Q196 VanDerWaalsContact OG1-CG 3.23Å; T193-Q196 WeakPolarHBondContact OG1-CG 3.43Å; T193-Q196 PolarHBondContact OG1-N 3.25Å; T193-Q196 PolarHBondContact OG1-OE1 3.4Å; Q196-V199 PolarHBondContact O-N 3.21Å; Q196-W200 WeakPolarHBondContact O-CB 3.36Å; Q196-W200 PolarHBondContact O-N 3.27Å
197V98.3Very high97.8Very high0 Ų069.9 Ų69.90%037%0.365CS..Hα-helixtrans-61.7-44.7175.2179.10000110.5L168 L178 R183 L186 A187 M192 T193 E194 S195 V199 W200 F201L168-V197 HydrophobicContact CD2-CG1 4.2Å; L168-V197 HydrophobicContact CD2-CG2 4.49Å; L178-V197 HydrophobicContact CD1-CG1 3.87Å; R183-V197 HydrophobicContact CG-CB 4.13Å; R183-V197 HydrophobicContact CG-CG1 3.93Å; L186-V197 HydrophobicContact CD2-CG1 4.01Å; A187-V197 HydrophobicContact CB-CG2 3.91Å; M192-V197 HydrophobicContact CB-CG2 4.22Å; T193-V197 PolarHBondContact O-N 2.97Å; T193-V197 VanDerWaalsContact O-N 3.11Å; E194-V197 PolarHBondContact O-N 3.44Å; S195-V197 PolarHBondContact O-N 2.63Å; V197-V199 PolarHBondContact O-N 3.09Å; V197-W200 PolarHBondContact O-N 3.31Å; V197-F201 HydrophobicContact CG1-CD2 3.91Å; V197-F201 HydrophobicContact CG1-CE2 4.07Å; V197-F201 WeakPolarHBondContact O-CD2 3.47Å; V197-F201 PolarHBondContact O-N 2.9Å
198K98Very high97.7Very high127 Ų12775 Ų7555%0.55238%0.384SS*.Hα-helixtrans-58.1-48.9176.4-179.1-178.2178.6-178.40111.9E194 S195 W200 F201 Q202E194-K198 WeakPolarHBondContact O-CB 3.38Å; E194-K198 PolarHBondContact O-N 2.94Å; S195-K198 WeakPolarHBondContact O-CB 3.42Å; S195-K198 PolarHBondContact O-N 3.13Å; K198-W200 VanDerWaalsContact C-N 3.35Å; K198-F201 PolarHBondContact O-N 2.89Å; K198-Q202 WeakPolarHBondContact O-CB 3.37Å; K198-Q202 PolarHBondContact O-N 3.46Å
199V98.1Very high97.5Very high75 Ų7571.4 Ų71.446%0.45537%0.369SS..Hα-helixtrans-63.7-42178.9171.30000110.7S195 Q196 V197 Q202 N203S195-V199 VanDerWaalsContact O-CG2 3.32Å; S195-V199 WeakPolarHBondContact O-CG2 3.46Å; S195-V199 PolarHBondContact O-N 2.93Å; Q196-V199 PolarHBondContact O-N 3.21Å; V197-V199 PolarHBondContact O-N 3.09Å; V199-Q202 PolarHBondContact O-N 3.31Å; V199-N203 WeakPolarHBondContact O-CB 3.34Å; V199-N203 PolarHBondContact O-N 3.07Å; V199-N203 PolarHBondContact O-ND2 3.07Å
200W98Very high97.3Very high31 Ų3174.1 Ų74.112%0.11737%0.368CS..Hα-helixtrans-60.5-49.2176.8-169.1100.7000111.5F160 L168 E169 F172 Q196 V197 K198 Q202 N203 R204F160-W200 AromaticContact CD2-CD1 3.73Å; F160-W200 AromaticContact CE2-CD1 3.67Å; L168-W200 HydrophobicContact CB-CD2 3.96Å; L168-W200 HydrophobicContact CB-CE3 3.9Å; L168-W200 HydrophobicContact CB-CH2 3.66Å; L168-W200 HydrophobicContact CB-CZ2 3.68Å; L168-W200 HydrophobicContact CB-CZ3 3.76Å; L168-W200 HydrophobicContact CD1-CD2 3.84Å; L168-W200 HydrophobicContact CD1-CE3 4.49Å; L168-W200 HydrophobicContact CD1-CG 3.83Å; L168-W200 HydrophobicContact CD1-CZ2 4.48Å; L168-W200 HydrophobicContact CD2-CD2 4.32Å; L168-W200 HydrophobicContact CD2-CE3 4.23Å; L168-W200 HydrophobicContact CG-CD2 4.27Å; L168-W200 HydrophobicContact CG-CE3 4.44Å; E169-W200 HydrophobicContact CB-CH2 4.45Å; F172-W200 HydrophobicContact CB-CH2 4.47Å; F172-W200 HydrophobicContact CB-CZ3 4.14Å; F172-W200 HydrophobicContact CG-CZ3 4.48Å; Q196-W200 WeakPolarHBondContact O-CB 3.36Å; Q196-W200 PolarHBondContact O-N 3.27Å; V197-W200 PolarHBondContact O-N 3.31Å; K198-W200 VanDerWaalsContact C-N 3.35Å; W200-Q202 VanDerWaalsContact C-N 3.3Å; W200-Q202 PolarHBondContact O-N 3.34Å; W200-N203 PolarHBondContact O-N 3.48Å; W200-R204 HydrophobicContact CE3-CB 4Å; W200-R204 HydrophobicContact CE3-CG 4.49Å; W200-R204 HydrophobicContact CH2-CB 4.16Å; W200-R204 HydrophobicContact CH2-CG 3.83Å; W200-R204 HydrophobicContact CZ3-CB 3.74Å; W200-R204 HydrophobicContact CZ3-CG 3.74Å; W200-R204 WeakPolarHBondContact O-CB 3.4Å; W200-R204 PolarHBondContact O-N 3.29Å
201F98.5Very high96.9Very high7 Ų781.1 Ų81.13%0.03139%0.393CS..Hα-helixtrans-63.1-34.8177.4-92.2-104.2000112.7L168 T171 F172 L178 L186 V197 K198 R205L168-F201 HydrophobicContact CD2-CD2 4.47Å; L168-F201 HydrophobicContact CD2-CE2 3.96Å; T171-F201 HydrophobicContact CG2-CZ 4.29Å; F172-F201 HydrophobicContact CB-CE1 4.21Å; F172-F201 HydrophobicContact CB-CZ 4.3Å; F172-F201 AromaticContact CD2-CD1 3.85Å; F172-F201 HydrophobicContact CD2-CD1 3.85Å; F172-F201 AromaticContact CD2-CE1 3.78Å; F172-F201 HydrophobicContact CD2-CE1 3.78Å; F172-F201 HydrophobicContact CE2-CD1 4.49Å; L178-F201 HydrophobicContact CD1-CD1 4.11Å; L178-F201 HydrophobicContact CD1-CD2 3.76Å; L178-F201 HydrophobicContact CD1-CE1 3.72Å; L178-F201 HydrophobicContact CD1-CE2 3.34Å; L178-F201 HydrophobicContact CD1-CG 4.14Å; L178-F201 HydrophobicContact CD1-CZ 3.33Å; L178-F201 HydrophobicContact CD2-CE1 4.31Å; L178-F201 HydrophobicContact CD2-CZ 4.26Å; L178-F201 HydrophobicContact CG-CD1 4Å; L178-F201 HydrophobicContact CG-CE1 3.57Å; L178-F201 HydrophobicContact CG-CE2 4.16Å; L178-F201 HydrophobicContact CG-CG 4.47Å; L178-F201 HydrophobicContact CG-CZ 3.68Å; L186-F201 HydrophobicContact CD2-CE2 3.98Å; L186-F201 HydrophobicContact CD2-CZ 4.35Å; V197-F201 HydrophobicContact CG1-CD2 3.91Å; V197-F201 HydrophobicContact CG1-CE2 4.07Å; V197-F201 WeakPolarHBondContact O-CD2 3.47Å; V197-F201 PolarHBondContact O-N 2.9Å; K198-F201 PolarHBondContact O-N 2.89Å; F201-R205 WeakPolarHBondContact O-CB 3.38Å; F201-R205 WeakPolarHBondContact O-CG 3.45Å; F201-R205 PolarHBondContact O-N 3.38Å; F201-R205 PolarHBondContact O-NE 3Å
202Q98.2Very high96.2Very high83 Ų8381.2 Ų81.239%0.38837%0.374SS..Hα-helixtrans-64.9-46.9173.9-172.760.859.900111.5K198 V199 W200 R204 R205 T206K198-Q202 WeakPolarHBondContact O-CB 3.37Å; K198-Q202 PolarHBondContact O-N 3.46Å; V199-Q202 PolarHBondContact O-N 3.31Å; W200-Q202 VanDerWaalsContact C-N 3.3Å; W200-Q202 PolarHBondContact O-N 3.34Å; Q202-R204 VanDerWaalsContact C-N 3.34Å; Q202-R204 PolarHBondContact O-N 2.97Å; Q202-R205 PolarHBondContact O-N 2.76Å; Q202-T206 PolarHBondContact O-N 3.48Å; Q202-T206 VanDerWaalsContact O-N 3.11Å; Q202-T206 PolarHBondContact O-OG1 3.49Å
203N97.8Very high95.5Very high96 Ų9683.5 Ų83.551%0.51340%0.396SS..Hα-helixtrans-64.1-40.8177.5-72.1-21.9000111.6V199 W200 T206 K207V199-N203 WeakPolarHBondContact O-CB 3.34Å; V199-N203 PolarHBondContact O-N 3.07Å; V199-N203 PolarHBondContact O-ND2 3.07Å; W200-N203 PolarHBondContact O-N 3.48Å; N203-T206 PolarHBondContact O-N 2.98Å; N203-K207 PolarHBondContact O-N 3.27Å; N203-K207 VanDerWaalsContact O-N 3.09Å
204R97.8Very high94.6Very high69 Ų6982.6 Ų82.626%0.2640%0.396SS..Hα-helixtrans-62.5-46.7177.5-171.168.4-169.8165.74.1111.6E169 F172 W200 Q202 T206 K207 W208E169-R204 VanDerWaalsContact CD-NE 3.31Å; E169-R204 IonicContact OE1-CZ 2.63Å; E169-R204 IonicContact OE1-NE 2.94Å; E169-R204 PolarHBondContact OE1-NE 3.16Å; E169-R204 IonicContact OE1-NH1 3.29Å; E169-R204 IonicContact OE1-NH2 3.98Å; E169-R204 PolarHBondContact OE1-NH2 3.43Å; E169-R204 IonicContact OE2-CZ 3.25Å; E169-R204 IonicContact OE2-NE 3.85Å; E169-R204 PolarHBondContact OE2-NE 2.87Å; E169-R204 IonicContact OE2-NH1 2.95Å; E169-R204 PolarHBondContact OE2-NH1 3.14Å; E169-R204 IonicContact OE2-NH2 3.27Å; E169-R204 PolarHBondContact OE2-NH2 3.37Å; F172-R204 HydrophobicContact CD1-CG 3.62Å; F172-R204 HydrophobicContact CD2-CB 4.21Å; F172-R204 HydrophobicContact CD2-CG 3.64Å; F172-R204 HydrophobicContact CE1-CG 3.58Å; F172-R204 HydrophobicContact CE2-CB 4.05Å; F172-R204 HydrophobicContact CE2-CG 3.61Å; F172-R204 HydrophobicContact CG-CG 3.65Å; F172-R204 HydrophobicContact CZ-CB 4.32Å; F172-R204 HydrophobicContact CZ-CG 3.57Å; W200-R204 HydrophobicContact CE3-CB 4Å; W200-R204 HydrophobicContact CE3-CG 4.49Å; W200-R204 HydrophobicContact CH2-CB 4.16Å; W200-R204 HydrophobicContact CH2-CG 3.83Å; W200-R204 HydrophobicContact CZ3-CB 3.74Å; W200-R204 HydrophobicContact CZ3-CG 3.74Å; W200-R204 WeakPolarHBondContact O-CB 3.4Å; W200-R204 PolarHBondContact O-N 3.29Å; Q202-R204 VanDerWaalsContact C-N 3.34Å; Q202-R204 PolarHBondContact O-N 2.97Å; R204-T206 VanDerWaalsContact C-N 3.32Å; R204-T206 PolarHBondContact O-N 3.34Å; R204-K207 PolarHBondContact O-N 3.41Å; R204-W208 WeakPolarHBondContact O-CB 3.49Å; R204-W208 PolarHBondContact O-N 3.18Å
205R97.8Very high93.6Very high45 Ų4583.4 Ų83.417%0.1740%0.4CS..Hα-helixtrans-59.8-38.8174.7-76.9-177.6-74.2150.71.1113.1F172 K176 Y177 F201 Q202 W208 R209F172-R205 HydrophobicContact CE2-CG 3.82Å; F172-R205 HydrophobicContact CZ-CG 4.23Å; K176-R205 VanDerWaalsContact O-CD 3.29Å; K176-R205 WeakPolarHBondContact O-CD 3.29Å; Y177-R205 VanDerWaalsContact CD1-NH1 3.3Å; F201-R205 WeakPolarHBondContact O-CB 3.38Å; F201-R205 WeakPolarHBondContact O-CG 3.45Å; F201-R205 PolarHBondContact O-N 3.38Å; F201-R205 PolarHBondContact O-NE 3Å; Q202-R205 PolarHBondContact O-N 2.76Å; R205-W208 PolarHBondContact O-N 3.31Å; R205-R209 PolarHBondContact O-N 3.3Å
206T97.4Very high92.3Very high46 Ų4686.5 Ų86.528%0.28241%0.408SS..Hα-helixtrans-63.4-44.7176.1-61.70000111.7Q202 N203 R204 K210Q202-T206 PolarHBondContact O-N 3.48Å; Q202-T206 VanDerWaalsContact O-N 3.11Å; Q202-T206 PolarHBondContact O-OG1 3.49Å; N203-T206 PolarHBondContact O-N 2.98Å; R204-T206 VanDerWaalsContact C-N 3.32Å; R204-T206 PolarHBondContact O-N 3.34Å; T206-K210 WeakPolarHBondContact O-CG 3.4Å; T206-K210 PolarHBondContact O-N 3.13Å
207K95.8Very high91.1Very high143 Ų14386.1 Ų86.162%0.62242%0.418SS*.Hα-helixtrans-63.2-42.1175.4-73.7-174.5177.8-176.60112N203 R204 K210 R211N203-K207 PolarHBondContact O-N 3.27Å; N203-K207 VanDerWaalsContact O-N 3.09Å; R204-K207 PolarHBondContact O-N 3.41Å; K207-K210 PolarHBondContact O-N 3.08Å; K207-R211 PolarHBondContact O-N 3.48Å; K207-R211 VanDerWaalsContact O-N 3.08Å
208W95.2Very high89.6Confident111 Ų11189.5 Ų89.542%0.4244%0.441SS..Hα-helixtrans-58.3-53.1177179.684.9000111.2F172 R204 R205 K210 R211 H212F172-W208 HydrophobicContact CE1-CB 4.47Å; F172-W208 HydrophobicContact CE1-CG 4.49Å; F172-W208 HydrophobicContact CZ-CB 4.23Å; F172-W208 HydrophobicContact CZ-CG 4.39Å; R204-W208 WeakPolarHBondContact O-CB 3.49Å; R204-W208 PolarHBondContact O-N 3.18Å; R205-W208 PolarHBondContact O-N 3.31Å; W208-K210 VanDerWaalsContact C-N 3.3Å; W208-K210 PolarHBondContact O-N 3.5Å; W208-R211 PolarHBondContact O-N 3.15Å; W208-R211 VanDerWaalsContact O-N 3.15Å; W208-H212 AromaticContact CD1-CD2 3.94Å; W208-H212 AromaticContact CD1-NE2 3.6Å; W208-H212 AromaticContact CD2-CD2 3.53Å; W208-H212 AromaticContact CD2-NE2 3.75Å; W208-H212 AromaticContact CE2-CD2 3.33Å; W208-H212 AromaticContact CE2-NE2 3.07Å; W208-H212 AromaticContact CG-CD2 3.92Å; W208-H212 AromaticContact CZ2-CD2 3.64Å; W208-H212 AromaticContact CZ2-NE2 3.38Å; W208-H212 WeakPolarHBondContact CZ2-NE2 3.42Å; W208-H212 AromaticContact NE1-CD2 3.63Å; W208-H212 AromaticContact NE1-NE2 3Å; W208-H212 PolarHBondContact NE1-NE2 3.12Å; W208-H212 PolarHBondContact O-CD2 3.04Å; W208-H212 PolarHBondContact O-N 3.41Å
209R94.9Very high87.7Confident132 Ų13286.2 Ų86.250%0.49844%0.438SS..Hα-helixtrans-59.2-38.8177.1-72.6-173.7-66.3113.3-0.1113.1R205 R211 H212 A213R205-R209 PolarHBondContact O-N 3.3Å; R209-R211 PolarHBondContact O-N 3.08Å; R209-H212 PolarHBondContact O-N 3.47Å; R209-A213 WeakPolarHBondContact O-CB 3.45Å; R209-A213 PolarHBondContact O-N 3.41Å
210K93.6Very high85.7Confident152 Ų15290.7 Ų90.766%0.66145%0.451SS*.Hα-helixtrans-62.7-39.8177.5-80.8-173.6175-1710112.5T206 K207 W208 A214T206-K210 WeakPolarHBondContact O-CG 3.4Å; T206-K210 PolarHBondContact O-N 3.13Å; K207-K210 PolarHBondContact O-N 3.08Å; W208-K210 VanDerWaalsContact C-N 3.3Å; W208-K210 PolarHBondContact O-N 3.5Å; K210-A214 WeakPolarHBondContact O-CB 3.38Å; K210-A214 PolarHBondContact O-N 3.31Å; K210-A214 VanDerWaalsContact O-N 3.08Å
211R88.4Confident83.6Confident174 Ų17497.4 Ų97.466%0.65748%0.481SS*.Hα-helixtrans-64.2-48.8175-81-165.9-176.6166.3-1.6111.6K207 W208 R209 A213 A214 E215K207-R211 PolarHBondContact O-N 3.48Å; K207-R211 VanDerWaalsContact O-N 3.08Å; W208-R211 PolarHBondContact O-N 3.15Å; W208-R211 VanDerWaalsContact O-N 3.15Å; R209-R211 PolarHBondContact O-N 3.08Å; R211-A213 VanDerWaalsContact C-N 3.32Å; R211-A213 PolarHBondContact O-N 2.98Å; R211-A214 PolarHBondContact O-N 3.32Å; R211-A214 VanDerWaalsContact O-N 3.11Å; R211-E215 WeakPolarHBondContact O-CG 3.47Å; R211-E215 PolarHBondContact O-N 2.95Å
212H83.3Confident81.4Confident73 Ų73104.6 Ų104.634%0.33851%0.513SS..Hα-helixtrans-58.7-41.4178.3-74.8-69.3000113W208 R209 E215 M216W208-H212 AromaticContact CD1-CD2 3.94Å; W208-H212 AromaticContact CD1-NE2 3.6Å; W208-H212 AromaticContact CD2-CD2 3.53Å; W208-H212 AromaticContact CD2-NE2 3.75Å; W208-H212 AromaticContact CE2-CD2 3.33Å; W208-H212 AromaticContact CE2-NE2 3.07Å; W208-H212 AromaticContact CG-CD2 3.92Å; W208-H212 AromaticContact CZ2-CD2 3.64Å; W208-H212 AromaticContact CZ2-NE2 3.38Å; W208-H212 WeakPolarHBondContact CZ2-NE2 3.42Å; W208-H212 AromaticContact NE1-CD2 3.63Å; W208-H212 AromaticContact NE1-NE2 3Å; W208-H212 PolarHBondContact NE1-NE2 3.12Å; W208-H212 PolarHBondContact O-CD2 3.04Å; W208-H212 PolarHBondContact O-N 3.41Å; R209-H212 PolarHBondContact O-N 3.47Å; H212-E215 PolarHBondContact O-N 3.34Å; H212-M216 WeakPolarHBondContact O-CG 3.37Å; H212-M216 PolarHBondContact O-N 3.18Å
213A82.4Confident79Confident65 Ų65106.8 Ų106.854%0.53752%0.523SS..Hα-helixtrans-67.2-37.4176.700000112.7R209 R211 A217R209-A213 WeakPolarHBondContact O-CB 3.45Å; R209-A213 PolarHBondContact O-N 3.41Å; R211-A213 VanDerWaalsContact C-N 3.32Å; R211-A213 PolarHBondContact O-N 2.98Å; A213-A217 PolarHBondContact O-N 3.03Å
214A80.1Confident76.6Confident59 Ų59107.4 Ų107.449%0.48853%0.526SS..Hα-helixtrans-69.1-36.6178.100000112.4K210 R211 A217 S218K210-A214 WeakPolarHBondContact O-CB 3.38Å; K210-A214 PolarHBondContact O-N 3.31Å; K210-A214 VanDerWaalsContact O-N 3.08Å; R211-A214 PolarHBondContact O-N 3.32Å; R211-A214 VanDerWaalsContact O-N 3.11Å; A214-A217 PolarHBondContact O-N 3.35Å; A214-S218 PolarHBondContact O-N 3.11Å; A214-S218 PolarHBondContact O-OG 3.39Å
215E76.4Confident74.2Confident108 Ų108107.5 Ų107.551%0.50554%0.537SS..Hα-helixtrans-64.6-40.5175.9-73.5170.1-168.900111.9R211 H212 A217 S218 A219R211-E215 WeakPolarHBondContact O-CG 3.47Å; R211-E215 PolarHBondContact O-N 2.95Å; H212-E215 PolarHBondContact O-N 3.34Å; E215-A217 VanDerWaalsContact C-N 3.34Å; E215-A217 PolarHBondContact O-N 3.24Å; E215-S218 PolarHBondContact O-N 3.49Å; E215-S218 PolarHBondContact O-OG 3.09Å; E215-S218 VanDerWaalsContact O-OG 3.12Å; E215-A219 WeakPolarHBondContact O-CB 3.43Å; E215-A219 PolarHBondContact O-N 2.95Å
216M71.4Confident71.7Confident142 Ų142111.1 Ų111.170%0.756%0.556SS**Hα-helixtrans-68.6-32.4175.8-65.4-64.8153.900112.7H212H212-M216 WeakPolarHBondContact O-CG 3.37Å; H212-M216 PolarHBondContact O-N 3.18Å
217A72.5Confident69.3Low71 Ų71111.7 Ų111.759%0.58756%0.559SS**Hα-helixtrans-75-34.3175.800000112.8A213 A214 E215A213-A217 PolarHBondContact O-N 3.03Å; A214-A217 PolarHBondContact O-N 3.35Å; E215-A217 VanDerWaalsContact C-N 3.34Å; E215-A217 PolarHBondContact O-N 3.24Å
218S66.7Low67.1Low70 Ų70110.4 Ų110.449%0.4956%0.556SS.*Hα-helixtrans-78.3-28.7178.366.70000112.9A214 E215 K220 K221A214-S218 PolarHBondContact O-N 3.11Å; A214-S218 PolarHBondContact O-OG 3.39Å; E215-S218 PolarHBondContact O-N 3.49Å; E215-S218 PolarHBondContact O-OG 3.09Å; E215-S218 VanDerWaalsContact O-OG 3.12Å; S218-K220 VanDerWaalsContact C-N 3.32Å; S218-K220 PolarHBondContact O-N 3.22Å; S218-K221 PolarHBondContact O-N 3.18Å
219A57.6Low64.7Low58 Ų58112.8 Ų112.848%0.47957%0.569SS.*Hα-helixtrans-63.8-35.2172.400000112.6E215 K221 K222 H223E215-A219 WeakPolarHBondContact O-CB 3.43Å; E215-A219 PolarHBondContact O-N 2.95Å; A219-K221 VanDerWaalsContact C-N 3.26Å; A219-K221 PolarHBondContact O-N 3.43Å; A219-K222 PolarHBondContact O-N 3.48Å; A219-H223 PolarHBondContact O-N 3.38Å
220K55.9Low62.4Low169 Ų169113.3 Ų113.374%0.73558%0.579SS**Hα-helixtrans-68.2-24.4176.1-164.7164.31801760113.3S218 K222 D224S218-K220 VanDerWaalsContact C-N 3.32Å; S218-K220 PolarHBondContact O-N 3.22Å; K220-K222 VanDerWaalsContact C-N 3.32Å; K220-D224 PolarHBondContact O-N 3.27Å
221K54Low60Low172 Ų172113.9 Ų113.975%0.74858%0.581SS**Hα-helixtrans-79.8-13.5176.5-140.4-178.7-176-174.20113.6S218 A219 S225S218-K221 PolarHBondContact O-N 3.18Å; A219-K221 VanDerWaalsContact C-N 3.26Å; A219-K221 PolarHBondContact O-N 3.43Å; K221-S225 PolarHBondContact O-OG 2.83Å
222K51.5Low57.7Low159 Ų159113.4 Ų113.469%0.69159%0.586SS**Hα-helixtrans-91-35.6174-71.6-162.5175.4-168.40112.8A219 K220 S225 E226A219-K222 PolarHBondContact O-N 3.48Å; K220-K222 VanDerWaalsContact C-N 3.32Å; K222-S225 WeakPolarHBondContact CA-OG 3.31Å; K222-S225 PolarHBondContact O-N 3.42Å; K222-S225 PolarHBondContact O-OG 2.91Å; K222-E226 PolarHBondContact O-N 3.32Å; K222-E226 VanDerWaalsContact O-N 3.11Å
223H48.4Very low55.7Low128 Ų128114.7 Ų114.759%0.59360%0.604SS**Hα-helixtrans-68.7-35.9174.9-168.6-81.5000111.7A219 S225 E226 T227A219-H223 PolarHBondContact O-N 3.38Å; H223-S225 VanDerWaalsContact C-N 3.32Å; H223-S225 PolarHBondContact O-N 2.88Å; H223-E226 PolarHBondContact O-N 3.21Å; H223-T227 WeakPolarHBondContact CE1-CG2 3.2Å; H223-T227 PolarHBondContact O-N 3.45Å; H223-T227 PolarHBondContact O-OG1 3.24Å
224D46.4Very low54Low110 Ų110116 Ų11659%0.58861%0.609SS**Hα-helixtrans-66.4-33.8176.5-137.924.9000112.2K220 T227 E228K220-D224 PolarHBondContact O-N 3.27Å; D224-T227 WeakPolarHBondContact CA-OG1 3.39Å; D224-T227 PolarHBondContact O-OG1 3.21Å; D224-E228 WeakPolarHBondContact O-CB 3.34Å; D224-E228 WeakPolarHBondContact O-CG 3.48Å; D224-E228 PolarHBondContact O-N 3.22Å
225S48.8Very low52.4Low71 Ų71120 Ų12050%0.49762%0.622SS.*Hα-helixtrans-78.5-18.3174.353.30000114.2K221 K222 H223 K229K221-S225 PolarHBondContact O-OG 2.83Å; K222-S225 WeakPolarHBondContact CA-OG 3.31Å; K222-S225 PolarHBondContact O-N 3.42Å; K222-S225 PolarHBondContact O-OG 2.91Å; H223-S225 VanDerWaalsContact C-N 3.32Å; H223-S225 PolarHBondContact O-N 2.88Å; S225-K229 WeakPolarHBondContact O-CB 3.38Å; S225-K229 PolarHBondContact O-N 3.11Å
226E45.4Very low50.8Low121 Ų121122.6 Ų122.657%0.56564%0.64SS**Hα-helixtrans-92.9-29.3175.8-159.7165.4-170.700111.3K222 H223 K229 M230K222-E226 PolarHBondContact O-N 3.32Å; K222-E226 VanDerWaalsContact O-N 3.11Å; H223-E226 PolarHBondContact O-N 3.21Å; E226-K229 PolarHBondContact O-N 2.92Å; E226-M230 WeakPolarHBondContact O-CB 3.49Å; E226-M230 PolarHBondContact O-N 3.47Å
227T47Very low49.6Very low57 Ų57125.1 Ų125.135%0.3565%0.65SS.*Hα-helixtrans-74.9-28.6168.249.70000113.5H223 D224 K231H223-T227 WeakPolarHBondContact CE1-CG2 3.2Å; H223-T227 PolarHBondContact O-N 3.45Å; H223-T227 PolarHBondContact O-OG1 3.24Å; D224-T227 WeakPolarHBondContact CA-OG1 3.39Å; D224-T227 PolarHBondContact O-OG1 3.21Å; T227-K231 WeakPolarHBondContact O-CB 3.17Å; T227-K231 PolarHBondContact O-N 3.07Å
228E48.2Very low48.6Very low116 Ų116130.2 Ų130.254%0.54266%0.661SS.*Hα-helixtrans-76.9-33.2167.8-74.4-72.7143.500111.4D224 K231 E232D224-E228 WeakPolarHBondContact O-CB 3.34Å; D224-E228 WeakPolarHBondContact O-CG 3.48Å; D224-E228 PolarHBondContact O-N 3.22Å; E228-K231 PolarHBondContact O-N 2.85Å; E228-E232 WeakPolarHBondContact O-CB 3.33Å; E228-E232 PolarHBondContact O-N 3.28Å
229K45.8Very low47.9Very low162 Ų162133.9 Ų133.970%0.70468%0.675SS**Hα-helixtrans-77.1-22.8177.1-160.1178.9-176.4-163.40114.3S225 E226 S233S225-K229 WeakPolarHBondContact O-CB 3.38Å; S225-K229 PolarHBondContact O-N 3.11Å; E226-K229 PolarHBondContact O-N 2.92Å; K229-S233 VanDerWaalsContact O-CB 3.3Å; K229-S233 WeakPolarHBondContact O-CB 3.3Å
230M45.7Very low47.7Very low142 Ų142138.2 Ų138.270%0.769%0.691SS**THydrogen-bonded Turntrans-89.2-9.8167.6-72-161.1-177.800113.7E226E226-M230 WeakPolarHBondContact O-CB 3.49Å; E226-M230 PolarHBondContact O-N 3.47Å
231K43.5Very low47.5Very low164 Ų164137.9 Ų137.971%0.71369%0.692SS**THydrogen-bonded Turntrans-100.3-21174.1-152.2173.9-174-174.50113.4T227 E228T227-K231 WeakPolarHBondContact O-CB 3.17Å; T227-K231 PolarHBondContact O-N 3.07Å; E228-K231 PolarHBondContact O-N 2.85Å
232E41.2Very low47.3Very low164 Ų164140.2 Ų140.277%0.76670%0.697SS**THydrogen-bonded Turntrans-90.60.8168.9-166.2156.6-166.800113.1E228E228-E232 WeakPolarHBondContact O-CB 3.33Å; E228-E232 PolarHBondContact O-N 3.28Å
233S40.6Very low47.7Very low101 Ų101139.6 Ų139.671%0.70670%0.702SS**THydrogen-bonded Turntrans-107.710.5175.6-179.10000113.8K229K229-S233 VanDerWaalsContact O-CB 3.3Å; K229-S233 WeakPolarHBondContact O-CB 3.3Å
234S47Very low48.7Very low93 Ų93141.5 Ų141.565%0.6571%0.708SS**SBendtrans-143.219-173.7-167.40000116
235D45.7Very low49.5Very low142 Ų142141.8 Ų141.876%0.75972%0.716SS**SBendtrans-161.837.5176.2-132.31.1000117.3
236N43.2Very low50Low163 Ų163146.4 Ų146.487%0.87273%0.734SS**SBendtrans-154.538.1174.7-84.4-51.3000115.5
237E47.3Very low50.9Low194 Ų194146 Ų14691%0.90774%0.736SS**SBendtrans-145.240.4169.5-68.7-168.8-17600113.3
238E51.3Low51.7Low178 Ų178148.9 Ų148.983%0.83276%0.756SS**SBendtrans-118.6-2.7176.5-130.5175.6-164.100115.4
239D51Low52.2Low147 Ų147148.1 Ų148.179%0.78676%0.756SS**SBendtrans-104.1-12.9-176-74-20.1000115.2
240D54.1Low53.1Low150 Ų150144 Ų14480%0.80275%0.747SS**SBendtrans-94.2-10.7-178.5-75.5-35.4000114.2
241E51.4Low54Low162 Ų162142.4 Ų142.476%0.75774%0.741SS**G310 helixtrans-77.4-22.1-178.2-171.6146.9-16100112.9N243E241-N243 PolarHBondContact O-N 3.5Å
242Y50.7Low55.3Low221 Ų221138.5 Ų138.587%0.86773%0.728SS**G310 helixtrans-82.1-11.2-176.9-112.9-88.5000115.3
243N59.5Low56.5Low146 Ų146135.8 Ų135.878%0.78172%0.716SS**G310 helixtrans-102.74.1178.6-87.9-57.6000114.1E241 P245E241-N243 PolarHBondContact O-N 3.5Å; N243-P245 WeakPolarHBondContact O-CD 3.42Å
244K68.5Low57.9Low167 Ų167137.6 Ų137.673%0.72671%0.71SS**SBendtrans-74.1124.9174.5-160.4-178.9-175.2-160.70108.9L246K244-L246 PolarHBondContact O-N 2.98Å
245P63.7Low59.1Low116 Ų116136.9 Ų136.975%0.75370%0.699SS**  trans-47.2121.5171.8-30.435.7000110.1N243 D247N243-P245 WeakPolarHBondContact O-CD 3.42Å; P245-D247 PolarHBondContact O-N 3.07Å
246L58.7Low60.4Low168 Ų168134.5 Ų134.588%0.8869%0.689SS**  trans-55.5111.7179-67.5170.2000107.9K244 P248K244-L246 PolarHBondContact O-N 2.98Å; L246-P248 WeakPolarHBondContact O-CD 3.43Å
247D64Low61.9Low112 Ų112134.9 Ų134.960%0.59968%0.678SS**  trans-67.7112.1173.1-175.6-9.5000107.4P245 N249 S250P245-D247 PolarHBondContact O-N 3.07Å; D247-N249 PolarHBondContact O-N 3.48Å; D247-N249 PolarHBondContact OD1-N 2.62Å; D247-S250 WeakPolarHBondContact O-CB 3.35Å; D247-S250 PolarHBondContact O-N 3.48Å; D247-S250 VanDerWaalsContact O-N 3.12Å
248P64.5Low63.3Low118 Ų118130.4 Ų130.477%0.76666%0.66SS**THydrogen-bonded Turntrans-59.8-17-174-20.431.8000113.4L246L246-P248 WeakPolarHBondContact O-CD 3.43Å
249N58.4Low64.4Low101 Ų101127.1 Ų127.154%0.5465%0.648SS.*THydrogen-bonded Turntrans-94.6-2.5-174.6-145.77.7000113.3D247 D252D247-N249 PolarHBondContact O-N 3.48Å; D247-N249 PolarHBondContact OD1-N 2.62Å; N249-D252 PolarHBondContact OD1-OD2 2.94Å
250S65.2Low65.4Low74 Ų74128 Ų12852%0.51765%0.645SS.*Hα-helixtrans-72.1-33.9-176.8-169.30000113.1D247D247-S250 WeakPolarHBondContact O-CB 3.35Å; D247-S250 PolarHBondContact O-N 3.48Å; D247-S250 VanDerWaalsContact O-N 3.12Å
251D65.5Low66.5Low109 Ų109127.7 Ų127.758%0.58364%0.636SS**Hα-helixtrans-74-32.8179.6-125.6-59.7000111.7E253 K254 I255D251-E253 VanDerWaalsContact C-N 3.3Å; D251-E253 PolarHBondContact O-N 3.43Å; D251-K254 PolarHBondContact O-N 2.96Å; D251-K254 VanDerWaalsContact O-N 3.1Å; D251-I255 VanDerWaalsContact O-CG1 3.27Å; D251-I255 WeakPolarHBondContact O-CG1 3.36Å; D251-I255 PolarHBondContact O-N 3.32Å
252D69.1Low67.3Low82 Ų82125.8 Ų125.844%0.43963%0.627SS.*Hα-helixtrans-64.1-32.6-179.6-67.5-35.6000112.7N249 T256N249-D252 PolarHBondContact OD1-OD2 2.94Å; D252-T256 WeakPolarHBondContact O-CB 3.28Å; D252-T256 WeakPolarHBondContact O-CG2 3.22Å; D252-T256 PolarHBondContact O-N 3.47Å; D252-T256 PolarHBondContact O-OG1 3.4Å
253E67.3Low68.1Low108 Ų108122.3 Ų122.351%0.50562%0.617SS.*Hα-helixtrans-70.1-36.7174-70.4-153179.100112.9D251 T256 R257D251-E253 VanDerWaalsContact C-N 3.3Å; D251-E253 PolarHBondContact O-N 3.43Å; E253-T256 VanDerWaalsContact CA-OG1 3.29Å; E253-T256 WeakPolarHBondContact CA-OG1 3.5Å; E253-T256 PolarHBondContact O-OG1 3.25Å; E253-R257 WeakPolarHBondContact O-CB 3.2Å; E253-R257 WeakPolarHBondContact O-CG 3.45Å; E253-R257 PolarHBondContact O-N 3.21Å; E253-R257 IonicContact OE2-NH2 2.86Å; E253-R257 PolarHBondContact OE2-NH2 3.43Å
254K69Low68.1Low138 Ų138118.6 Ų118.660%0.661%0.606SS**Hα-helixtrans-69.7-42.4175.8-80.2179.7179.4173.20110.5D251 R257 L258D251-K254 PolarHBondContact O-N 2.96Å; D251-K254 VanDerWaalsContact O-N 3.1Å; K254-R257 PolarHBondContact O-N 3.21Å; K254-L258 WeakPolarHBondContact O-CB 3.4Å; K254-L258 PolarHBondContact O-N 2.93Å
255I72.4Confident67.5Low79 Ų79115 Ų11541%0.40560%0.598SS.*Hα-helixtrans-61.5-48.7176.5-66.8165.9000110D251 R257 L258 L259D251-I255 VanDerWaalsContact O-CG1 3.27Å; D251-I255 WeakPolarHBondContact O-CG1 3.36Å; D251-I255 PolarHBondContact O-N 3.32Å; I255-R257 PolarHBondContact O-N 2.86Å; I255-L258 PolarHBondContact O-N 3.36Å; I255-L259 HydrophobicContact CG2-CD1 3.49Å; I255-L259 VanDerWaalsContact CG2-CD1 3.49Å; I255-L259 WeakPolarHBondContact O-CD1 3.03Å; I255-L259 PolarHBondContact O-N 3.01Å
256T74.5Confident67.2Low91 Ų91114 Ų11456%0.55859%0.59SS**Hα-helixtrans-63.4-37.9177.646.10000113.1D252 E253 K260D252-T256 WeakPolarHBondContact O-CB 3.28Å; D252-T256 WeakPolarHBondContact O-CG2 3.22Å; D252-T256 PolarHBondContact O-N 3.47Å; D252-T256 PolarHBondContact O-OG1 3.4Å; E253-T256 VanDerWaalsContact CA-OG1 3.29Å; E253-T256 WeakPolarHBondContact CA-OG1 3.5Å; E253-T256 PolarHBondContact O-OG1 3.25Å; T256-K260 WeakPolarHBondContact O-CB 3.21Å; T256-K260 PolarHBondContact O-N 3.02Å
257R74.9Confident67Low171 Ų171112.5 Ų112.565%0.64558%0.583SS**Hα-helixtrans-66-40.7173.6-75176-168-178.310.7112.2E253 K254 I255 K260 K261E253-R257 WeakPolarHBondContact O-CB 3.2Å; E253-R257 WeakPolarHBondContact O-CG 3.45Å; E253-R257 PolarHBondContact O-N 3.21Å; E253-R257 IonicContact OE2-NH2 2.86Å; E253-R257 PolarHBondContact OE2-NH2 3.43Å; K254-R257 PolarHBondContact O-N 3.21Å; I255-R257 PolarHBondContact O-N 2.86Å; R257-K260 PolarHBondContact O-N 2.87Å; R257-K261 VanDerWaalsContact O-CB 3.28Å; R257-K261 WeakPolarHBondContact O-CB 3.27Å; R257-K261 PolarHBondContact O-N 3.29Å
258L75.8Confident66.5Low100 Ų100114.5 Ų114.552%0.52459%0.593SS.*Hα-helixtrans-65.1-46.2175.8-88.4156000111.9K254 I255 K260 K261 H262K254-L258 WeakPolarHBondContact O-CB 3.4Å; K254-L258 PolarHBondContact O-N 2.93Å; I255-L258 PolarHBondContact O-N 3.36Å; L258-K260 VanDerWaalsContact C-N 3.34Å; L258-K260 PolarHBondContact O-N 3.1Å; L258-K261 PolarHBondContact O-N 2.96Å; L258-H262 PolarHBondContact O-CD2 3.46Å; L258-H262 PolarHBondContact O-N 2.94Å
259L73.9Confident66Low109 Ų109113 Ų11357%0.57159%0.59SS**Hα-helixtrans-62.3-42.1175-88.287.5000111.3I255 H262 K263I255-L259 HydrophobicContact CG2-CD1 3.49Å; I255-L259 VanDerWaalsContact CG2-CD1 3.49Å; I255-L259 WeakPolarHBondContact O-CD1 3.03Å; I255-L259 PolarHBondContact O-N 3.01Å; L259-H262 PolarHBondContact O-N 3.48Å; L259-K263 WeakPolarHBondContact O-CB 3.38Å; L259-K263 PolarHBondContact O-N 3.49Å
260K72.6Confident65.8Low166 Ų166115.8 Ų115.872%0.72260%0.604SS**Hα-helixtrans-66.2-38.5178-170.6154.9-176.7169.30112.2T256 R257 L258 K263 A264T256-K260 WeakPolarHBondContact O-CB 3.21Å; T256-K260 PolarHBondContact O-N 3.02Å; R257-K260 PolarHBondContact O-N 2.87Å; L258-K260 VanDerWaalsContact C-N 3.34Å; L258-K260 PolarHBondContact O-N 3.1Å; K260-K263 PolarHBondContact O-N 2.92Å; K260-A264 WeakPolarHBondContact O-CB 3.42Å; K260-A264 PolarHBondContact O-N 3.3Å
261K76.3Confident65.2Low143 Ų143119.9 Ų119.962%0.62262%0.619SS**Hα-helixtrans-62.4-49.8173.7-177173.6175179.80110.8R257 L258 K263 A264 T265R257-K261 VanDerWaalsContact O-CB 3.28Å; R257-K261 WeakPolarHBondContact O-CB 3.27Å; R257-K261 PolarHBondContact O-N 3.29Å; L258-K261 PolarHBondContact O-N 2.96Å; K261-K263 PolarHBondContact O-N 3.12Å; K261-A264 PolarHBondContact O-N 3.04Å; K261-T265 PolarHBondContact O-N 3.32Å; K261-T265 PolarHBondContact O-OG1 3.01Å
262H69.8Low64.1Low122 Ų122120.5 Ų120.557%0.56563%0.631SS**Hα-helixtrans-64.5-38.2179-86.6-111000112.6L258 L259 A264 T265 T266L258-H262 PolarHBondContact O-CD2 3.46Å; L258-H262 PolarHBondContact O-N 2.94Å; L259-H262 PolarHBondContact O-N 3.48Å; H262-A264 PolarHBondContact O-N 2.85Å; H262-T265 PolarHBondContact O-N 3.47Å; H262-T266 WeakPolarHBondContact O-CG2 3.29Å; H262-T266 PolarHBondContact O-N 2.85Å; H262-T266 PolarHBondContact O-OG1 3.4Å; H262-T266 VanDerWaalsContact O-OG1 3.04Å
263K67Low63.3Low149 Ų149122.4 Ų122.465%0.64865%0.649SS**Hα-helixtrans-65.2-34.6174.8-122.8157.1171.9167.50113.5L259 K260 K261 T266 N267L259-K263 WeakPolarHBondContact O-CB 3.38Å; L259-K263 PolarHBondContact O-N 3.49Å; K260-K263 PolarHBondContact O-N 2.92Å; K261-K263 PolarHBondContact O-N 3.12Å; K263-T266 PolarHBondContact O-OG1 2.9Å; K263-N267 PolarHBondContact O-N 2.9Å; K263-N267 PolarHBondContact O-ND2 2.79Å
264A58.3Low61.7Low67 Ų67123.9 Ų123.955%0.55467%0.669SS**Hα-helixtrans-72-34.7173.700000111.8K260 K261 H262K260-A264 WeakPolarHBondContact O-CB 3.42Å; K260-A264 PolarHBondContact O-N 3.3Å; K261-A264 PolarHBondContact O-N 3.04Å; H262-A264 PolarHBondContact O-N 2.85Å
265T57.6Low60.5Low91 Ų91122 Ų12256%0.55867%0.673SS**Hα-helixtrans-75-34.5-179.3-37.60000111.7K261 H262K261-T265 PolarHBondContact O-N 3.32Å; K261-T265 PolarHBondContact O-OG1 3.01Å; H262-T265 PolarHBondContact O-N 3.47Å
266T57.2Low59Low97 Ų97125.3 Ų125.360%0.59569%0.692SS**Hα-helixtrans-76.8-23.9177.950.70000114.1H262 K263 L268H262-T266 WeakPolarHBondContact O-CG2 3.29Å; H262-T266 PolarHBondContact O-N 2.85Å; H262-T266 PolarHBondContact O-OG1 3.4Å; H262-T266 VanDerWaalsContact O-OG1 3.04Å; K263-T266 PolarHBondContact O-OG1 2.9Å; T266-L268 VanDerWaalsContact C-N 3.33Å; T266-L268 PolarHBondContact O-N 3.41Å
267N53.3Low57.5Low135 Ų135126.4 Ų126.472%0.72270%0.703SS**THydrogen-bonded Turntrans-77.4-12.6176.9-86.9-76000114.3K263K263-N267 PolarHBondContact O-N 2.9Å; K263-N267 PolarHBondContact O-ND2 2.79Å
268L55Low56.2Low155 Ų155122.7 Ų122.781%0.81270%0.704SS**THydrogen-bonded Turntrans-95-6.5-177.9-167.157.6000113.9T266 L270T266-L268 VanDerWaalsContact C-N 3.33Å; T266-L268 PolarHBondContact O-N 3.41Å; L268-L270 PolarHBondContact O-N 3.24Å
269A52.5Low54.9Low86 Ų86124.8 Ų124.871%0.71172%0.715SS**THydrogen-bonded Turntrans-94.921.7-173.200000115.2
270L54.2Low53.6Low159 Ų159125.7 Ų125.783%0.83273%0.726SS**THydrogen-bonded Turntrans-126.120.2-176.7-106.2173.7000116.7L268L268-L270 PolarHBondContact O-N 3.24Å
271I54.2Low52.4Low160 Ų160129.6 Ų129.682%0.82175%0.753SS**  trans-136.989.4167.2-52.1175.8000109.3
272S42Very low51.2Low122 Ų122129 Ų12985%0.85376%0.76SS**  trans-104125.3157.7-78.70000108.9
273P51.2Low50.2Low123 Ų123129.3 Ų129.380%0.79977%0.77SS**  trans-87.6133.7166.932.4-25.9000109.4
274C35.2Very low49.3Very low138 Ų138128.2 Ų128.293%0.93278%0.777SS**  trans-133.1116.5164.9-148.10000108.9
275S43.7Very low48.8Very low99 Ų99131.8 Ų131.869%0.69279%0.79SS**  trans-104.7131.6173.946.10000110.6
276N40.9Very low48.2Very low149 Ų149134.4 Ų134.480%0.79780%0.804SS**  trans95.5126.5142-66.31.3000122.7
277S42.1Very low47.6Very low113 Ų113136.9 Ų136.979%0.7982%0.818SS**  trans77.4133.6139.4-80.80000117.8
278S48.4Very low47.2Very low94 Ų94137 Ų13766%0.65783%0.825SS**  cis-162.216820.1-52.40000112.3
279D48.4Very low46.6Very low143 Ų143135.6 Ų135.677%0.76583%0.826SS**  trans79.1115.2147.6-70.5-53000121.6
280T46.7Very low46.1Very low129 Ų129139.8 Ų139.879%0.79184%0.836SS**  173.1137.794.130.40000113.5
281L46.3Very low45.4Very low248 Ų248138 Ų138100%1.29884%0.836SS**  trans630157-77160.8000121.2

Retrieved 281 of 281 residues in 247.7 ms (Link to these results)