A0A060W486_ONCMY Loading...

Chromobox homolog 1b (HP1 beta homolog Drosophila)

AlphaFold DB , UniProt , Accession A0A060W486, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene cbx1b, Length 271 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
1M47.2Very low48.3Very low235 Ų235139.9 Ų139.9100%1.15879%0.792SS**  0101.60-69.4128.9175.400105.4
2S52.2Low47.8Very low113 Ų113140.8 Ų140.879%0.7979%0.793SS**  55.8122.372.9-60.50000109.7
3M45.6Very low48.3Very low168 Ų168137.5 Ų137.583%0.82879%0.794SS**  cis-157.114420.5-90162.3178.300107.4
4S55.7Low48.9Very low104 Ų104136.6 Ų136.673%0.72780%0.796SS**  56.7140.995-14.40000114.2
5E49.1Very low48.8Very low173 Ų173135.8 Ų135.881%0.80879%0.794SS**  cis-177.4167.97.3-152.4173.571.800108.9
6S45.8Very low48.4Very low93 Ų93136.4 Ų136.465%0.6579%0.792SS**  trans82.3130.1146.9-65.90000118.1
7T47.5Very low48.5Very low130 Ų130135.4 Ų135.480%0.79879%0.788SS**  cis-164.8136.937.3-59.30000111.7
8E46.7Very low48.2Very low183 Ų183138.4 Ų138.486%0.85579%0.794SS**  trans-113.5176.5145.6-71.8-167.5115.700106.8
9P56.2Low48.2Very low113 Ų113134.9 Ų134.973%0.73478%0.783SS**  cis-149.1-174.51541.7-18.6000117.5
10S40.5Very low47.7Very low93 Ų93135.9 Ų135.965%0.6578%0.78SS**  trans66.1135.8134.8-110.10000125.9
11N44.2Very low47.5Very low134 Ų134136.5 Ų136.572%0.71778%0.779SS**  trans97.2123.2130.7-69.7-4.2000122.1
12D43.1Very low47.4Very low150 Ų150131 Ų13180%0.80276%0.759SS**  trans36.2121.1133.7-74-79.9000120.3
13A53.6Low47.4Very low98 Ų98131.5 Ų131.581%0.8176%0.759SS**PPolyproline II helixtrans-100.2137.2160.400000110.6
14P57.6Low47.3Very low126 Ų126128 Ų12882%0.81876%0.757SS**PPolyproline II helixtrans-101.5167.9-167.339.5-35000115.6
15T47.2Very low46.8Very low124 Ų124128.9 Ų128.976%0.76176%0.763SS**PPolyproline II helixtrans-71.9156.1169.739.50000116.1
16L42.4Very low47Very low145 Ų145125.1 Ų125.176%0.75976%0.762SS**  trans140.9111.9134-101.6102000113.7
17T49.3Very low47.5Very low119 Ų119128.2 Ų128.273%0.7377%0.771SS**  78.1127.4104.662.10000117.9
18E43.4Very low47.6Very low191 Ų191129.6 Ų129.689%0.89377%0.774SS**  trans-156.5140.3134.2-149.1170120.600111.2
19A48.6Very low48Very low72 Ų72128 Ų12860%0.59577%0.769SS**  trans-89.2170.3-179.700000112
20H37.6Very low47.8Very low154 Ų154128 Ų12871%0.71377%0.772SS**  trans144.9111.9133.4-78.1-80.3000116
21I44Very low48.6Very low148 Ų148129.5 Ų129.576%0.75978%0.779SS**  81.5129.5129.5-54.9167.6000120.8
22T45.5Very low49.4Very low120 Ų120127.1 Ų127.174%0.73678%0.779SS**  trans-62.8170.4-177.756.20000117.1
23P52Low50.2Low123 Ų123125.8 Ų125.880%0.79978%0.778SS**  -147.3143.391.135.3-16.5000117.6
24A44.1Very low50.3Low96 Ų96125.7 Ų125.779%0.79378%0.777SS**  trans41.7129.3136.700000124.4
25S43.4Very low50.2Low121 Ų121126.7 Ų126.785%0.84678%0.776SS**  trans80.1104.8134.9-134.90000120.4
26A54Low50.6Low94 Ų94128 Ų12878%0.77778%0.778SS**  trans-161.5128.3134.700000109.3
27D55.5Low51.4Low158 Ų158128 Ų12885%0.84578%0.777SS**  trans-46.1130.7174.9-64.8-83.6000113.3
28N50.8Low51.8Low160 Ų160126.9 Ų126.986%0.85677%0.774SS**  trans-144.6120.7151.4-154.1-4.6000110.8
29I54.9Low52.7Low149 Ų149123.7 Ų123.776%0.76477%0.77SS**PPolyproline II helixtrans-71129.3-169-67.8155.3000109.3P31I29-P31 WeakPolarHBondContact O-CD 3.3Å
30S52.3Low53.5Low112 Ų112124.4 Ų124.478%0.78378%0.776SS**PPolyproline II helixtrans-53.4127.2168.5-82.80000111.2
31P57.6Low54.7Low125 Ų125123 Ų12381%0.81278%0.78SS**PPolyproline II helixtrans-77.7130.6155.330.1-27.7000109.4I29I29-P31 WeakPolarHBondContact O-CD 3.3Å
32A60.9Low55.5Low85 Ų85119.8 Ų119.870%0.70278%0.777SS**PPolyproline II helixtrans-56.8157.2170.900000111.8A34A32-A34 PolarHBondContact O-N 3.15Å
33P59.2Low56.3Low121 Ų121121 Ų12179%0.78678%0.778SS**PPolyproline II helixtrans-65.3127.517427.8-33.5000110.1D35P33-D35 PolarHBondContact O-N 3.34Å
34A57Low56.7Low96 Ų96122 Ų12279%0.79378%0.776SS**PPolyproline II helixtrans-64.8123.8170.300000109.5A32 N36A32-A34 PolarHBondContact O-N 3.15Å; A34-N36 PolarHBondContact O-N 2.92Å
35D55Low57.6Low148 Ų148123.4 Ų123.479%0.79177%0.77SS**  trans-55.8106.1168.3-71.7-54.7000110P33 I37P33-D35 PolarHBondContact O-N 3.34Å; D35-I37 VanDerWaalsContact C-N 3.26Å; D35-I37 HydrophobicContact CB-CG1 4.29Å; D35-I37 PolarHBondContact O-N 2.97Å
36N54.6Low58.7Low152 Ų152122.5 Ų122.581%0.81376%0.761SS**  trans-78.381.5169-16813.1000108.4A34 S38A34-N36 PolarHBondContact O-N 2.92Å; N36-S38 PolarHBondContact O-N 2.99Å; N36-S38 VanDerWaalsContact O-N 3.09Å
37I59.3Low59.4Low143 Ų143123.9 Ų123.973%0.73376%0.762SS**  trans-67.1105.3171.9-59.9172.4000107.3D35D35-I37 VanDerWaalsContact C-N 3.26Å; D35-I37 HydrophobicContact CB-CG1 4.29Å; D35-I37 PolarHBondContact O-N 2.97Å
38S57.3Low60.1Low96 Ų96120.6 Ų120.667%0.67176%0.757SS**PPolyproline II helixtrans-56.8129.9167.9-72.90000109.5N36 A40N36-S38 PolarHBondContact O-N 2.99Å; N36-S38 VanDerWaalsContact O-N 3.09Å; S38-A40 PolarHBondContact O-N 3.31Å
39P63.3Low60.8Low124 Ų124118.9 Ų118.981%0.80576%0.755SS**PPolyproline II helixtrans-65.8127.8170.426.5-31000108.9
40A65.9Low61.2Low87 Ų87115.8 Ų115.872%0.71975%0.751SS**PPolyproline II helixtrans-57.4145.9171.100000110.2S38 A42S38-A40 PolarHBondContact O-N 3.31Å; A40-A42 PolarHBondContact O-N 3.23Å
41P63Low61.7Low124 Ų124117.2 Ų117.281%0.80575%0.75SS**PPolyproline II helixtrans-63.6129.9177.127.1-33.1000109.6D43P41-D43 PolarHBondContact O-N 3.33Å
42A60.9Low61.9Low82 Ų82118.3 Ų118.368%0.67875%0.748SS**PPolyproline II helixtrans-58.4121167.800000108.5A40 I44A40-A42 PolarHBondContact O-N 3.23Å; A42-I44 HydrophobicContact CB-CG1 4.33Å; A42-I44 PolarHBondContact O-N 3.06Å
43D60.4Low62Low144 Ų144120.1 Ų120.177%0.7775%0.746SS**  trans-73.574.9176.9-153.1-10.9000108.9P41 N45P41-D43 PolarHBondContact O-N 3.33Å; D43-N45 VanDerWaalsContact C-N 3.29Å; D43-N45 PolarHBondContact O-N 3.48Å; D43-N45 VanDerWaalsContact O-N 3.14Å; D43-N45 PolarHBondContact OD1-ND2 3.4Å
44I61.8Low62.3Low146 Ų146119.4 Ų119.475%0.74974%0.741SS**  trans-80.586.2169.2-56.4175.8000105.9A42 P46A42-I44 HydrophobicContact CB-CG1 4.33Å; A42-I44 PolarHBondContact O-N 3.06Å; I44-P46 VanDerWaalsContact O-CD 3.31Å; I44-P46 WeakPolarHBondContact O-CD 3.27Å
45N63.2Low62.9Low124 Ų124120.7 Ų120.766%0.66374%0.741SS**PPolyproline II helixtrans-59.7119.3163.2-86.2-73.1000107.9D43D43-N45 VanDerWaalsContact C-N 3.29Å; D43-N45 PolarHBondContact O-N 3.48Å; D43-N45 VanDerWaalsContact O-N 3.14Å; D43-N45 PolarHBondContact OD1-ND2 3.4Å
46P66.2Low63.5Low102 Ų102117.9 Ų117.966%0.66274%0.739SS**PPolyproline II helixtrans-63137.8173.126.1-31.8000108.6I44 A48I44-P46 VanDerWaalsContact O-CD 3.31Å; I44-P46 WeakPolarHBondContact O-CD 3.27Å; P46-A48 PolarHBondContact O-N 3.09Å
47P69.3Low64Low123 Ų123116.7 Ų116.780%0.79974%0.739SS**PPolyproline II helixtrans-58.1135.9172.724.8-32.1000108.9
48A69.4Low64Low90 Ų90114 Ų11474%0.74474%0.738SS**PPolyproline II helixtrans-50.7141.3176.600000110.3P46 A50P46-A48 PolarHBondContact O-N 3.09Å; A48-A50 PolarHBondContact O-N 3.32Å
49P65.9Low64.2Low124 Ų124116.2 Ų116.281%0.80574%0.742SS**PPolyproline II helixtrans-59.5125.9178.825.1-32.6000108.8D51P49-D51 PolarHBondContact O-N 2.87Å
50A63.6Low63.9Low84 Ų84117.4 Ų117.469%0.69474%0.74SS**PPolyproline II helixtrans-55.7124.9168.700000107.9A48 I52A48-A50 PolarHBondContact O-N 3.32Å; A50-I52 PolarHBondContact O-N 2.99Å
51D61.5Low63.6Low142 Ų142119.2 Ų119.276%0.75974%0.738SS**  trans-71.677.1-178-146.8-8.2000108.9P49 N53P49-D51 PolarHBondContact O-N 2.87Å; D51-N53 PolarHBondContact O-N 2.87Å
52I62.7Low63.6Low148 Ų148118.4 Ų118.476%0.75973%0.732SS**  trans-78.983.2170.3-55.1175.5000105.9A50 P54A50-I52 PolarHBondContact O-N 2.99Å; I52-P54 VanDerWaalsContact O-CD 3.26Å; I52-P54 WeakPolarHBondContact O-CD 3.26Å
53N62.3Low63.7Low123 Ų123120.4 Ų120.466%0.65874%0.739SS**PPolyproline II helixtrans-60.7117161.8-85.5-68.7000107.6D51D51-N53 PolarHBondContact O-N 2.87Å
54P65.8Low63.8Low105 Ų105117.8 Ų117.868%0.68274%0.737SS**PPolyproline II helixtrans-63136.1172.926.1-31.7000108.5I52 A56I52-P54 VanDerWaalsContact O-CD 3.26Å; I52-P54 WeakPolarHBondContact O-CD 3.26Å; P54-A56 PolarHBondContact O-N 3.24Å
55P69.1Low63.7Low124 Ų124116.8 Ų116.881%0.80574%0.74SS**PPolyproline II helixtrans-59.1136.5173.424.8-31.9000109.2
56A68Low63.3Low89 Ų89115.2 Ų115.274%0.73674%0.744SS**PPolyproline II helixtrans-52.1141.9178.700000110.9P54 A58P54-A56 PolarHBondContact O-N 3.24Å; A56-A58 PolarHBondContact O-N 3.39Å
57P64.7Low62.4Low127 Ų127118.3 Ų118.383%0.82576%0.755SS**PPolyproline II helixtrans-61.2126.8178.525.6-32.5000109.3D59P57-D59 PolarHBondContact O-N 3.11Å
58A60.8Low61.7Low85 Ų85120.1 Ų120.170%0.70276%0.757SS**PPolyproline II helixtrans-57.8128.817100000108.9A56 I60A56-A58 PolarHBondContact O-N 3.39Å; A58-I60 VanDerWaalsContact C-N 3.3Å; A58-I60 PolarHBondContact O-N 3.39Å
59D59.6Low61.2Low143 Ų143122.3 Ų122.377%0.76576%0.756SS**  trans-70.183-177.4-148.2-6.2000109.4P57 N61P57-D59 PolarHBondContact O-N 3.11Å; D59-N61 VanDerWaalsContact C-N 3.28Å; D59-N61 PolarHBondContact O-N 3.04Å; D59-N61 VanDerWaalsContact O-N 3.09Å
60I58.9Low60.4Low149 Ų149121.9 Ų121.976%0.76475%0.753SS**  trans-80.285.2170.5-56.4176.1000106.6A58 P62A58-I60 VanDerWaalsContact C-N 3.3Å; A58-I60 PolarHBondContact O-N 3.39Å; I60-P62 VanDerWaalsContact O-CD 3.27Å; I60-P62 WeakPolarHBondContact O-CD 3.48Å
61N58.7Low59.5Low125 Ų125123.2 Ų123.267%0.66876%0.757SS**PPolyproline II helixtrans-66.7116.5161.8-86.5-65.6000108.2D59D59-N61 VanDerWaalsContact C-N 3.28Å; D59-N61 PolarHBondContact O-N 3.04Å; D59-N61 VanDerWaalsContact O-N 3.09Å
62P63Low59.2Low107 Ų107121 Ų12170%0.69576%0.758SS**PPolyproline II helixtrans-65.9136.3171.627.2-31.8000109.3I60I60-P62 VanDerWaalsContact O-CD 3.27Å; I60-P62 WeakPolarHBondContact O-CD 3.48Å
63P63.3Low58.9Low125 Ų125119.6 Ų119.681%0.81276%0.759SS**PPolyproline II helixtrans-64.7138.3175.326.4-32000110.1
64A61.8Low57.9Low88 Ų88117.8 Ų117.873%0.72776%0.761SS**PPolyproline II helixtrans-54.8143.4179.200000111.8A66A64-A66 PolarHBondContact O-N 2.8Å
65P60.8Low57.1Low125 Ų125120.4 Ų120.481%0.81277%0.769SS**PPolyproline II helixtrans-65.7130.717727.4-32.8000110.1D67P65-D67 PolarHBondContact O-N 3.19Å
66A52.9Low56Low91 Ų91122.2 Ų122.275%0.75277%0.771SS**PPolyproline II helixtrans-61.8131.317600000111A64 I68A64-A66 PolarHBondContact O-N 2.8Å; A66-I68 PolarHBondContact O-N 3.48Å
67D49.3Very low55Low167 Ų167125 Ų12589%0.89377%0.771SS**  trans-60.8103.6172.9-74.8-50.4000110.8P65 N69P65-D67 PolarHBondContact O-N 3.19Å; D67-N69 PolarHBondContact O-N 3.18Å
68I54.5Low54.2Low162 Ų162124.2 Ų124.283%0.83177%0.767SS**  trans-86.197.4167.1-44178.7000106.9A66 P70A66-I68 PolarHBondContact O-N 3.48Å; I68-P70 VanDerWaalsContact O-CD 3.3Å; I68-P70 WeakPolarHBondContact O-CD 3.38Å
69N57.7Low53.6Low135 Ų135126 Ų12672%0.72277%0.771SS**  trans-72.6114.4172.7-177.50.2000110D67 S71D67-N69 PolarHBondContact O-N 3.18Å; N69-S71 PolarHBondContact O-N 3.45Å
70P48.7Very low52.7Low115 Ų115123.7 Ų123.775%0.74777%0.772SS**  trans-80.2104.7173.330.7-29.3000109.9I68 A72I68-P70 VanDerWaalsContact O-CD 3.3Å; I68-P70 WeakPolarHBondContact O-CD 3.38Å; P70-A72 PolarHBondContact O-N 3.35Å
71S45.1Very low52.2Low112 Ų112121.8 Ų121.878%0.78377%0.769SS**  trans-65.3116.5163.9-110.20000109.9N69N69-S71 PolarHBondContact O-N 3.45Å
72A55.9Low51.2Low95 Ų95122 Ų12279%0.78578%0.775SS**  trans-67.8151.4166.600000111.2P70P70-A72 PolarHBondContact O-N 3.35Å
73P55.4Low49.9Very low120 Ų120121.3 Ų121.378%0.77978%0.778SS**  trans-126.3124149.430.4-15.9000113.3
74A42.7Very low49.1Very low85 Ų85120.9 Ų120.970%0.70278%0.776SS**  trans54.5106.4134.600000120.9
75D48.8Very low47.6Very low159 Ų159122 Ų12285%0.8577%0.773SS**  trans14.9108131-62-43.5000118.7
76I44.6Very low46.3Very low163 Ų163124 Ų12484%0.83677%0.772SS**  trans-127.3110.1151.8-59.8-179.7000108.5
77I47.2Very low45.5Very low146 Ų146124 Ų12475%0.74977%0.767SS**PPolyproline II helixtrans-72.8129.9176.9-61.1159.8000109.3
78P47.7Very low44.9Very low112 Ų112124.6 Ų124.673%0.72776%0.764SS**PPolyproline II helixtrans-87138165.732.7-29.6000110.5
79P48.6Very low44Very low123 Ų123122.8 Ų122.880%0.79976%0.76SS**PPolyproline II helixtrans-86.3124.7167.932.2-27.6000110.2
80A42Very low42.6Very low93 Ų93123 Ų12377%0.76977%0.766SS**PPolyproline II helixtrans-68.9153.4154.400000109.3
81P48.2Very low42.1Very low109 Ų109125.9 Ų125.971%0.70877%0.772SS**  -147.3137.2107.836.2-19000115.7
82T36.2Very low41.3Very low131 Ų131127.4 Ų127.480%0.80478%0.777SS**  trans55.4111.2135.556.50000121.2
83A37.3Very low40.2Very low92 Ų92129.1 Ų129.176%0.7678%0.778SS**  trans-63.5162.1145.700000110.8
84P46.3Very low39.9Very low116 Ų116129 Ų12975%0.75378%0.777SS**  -151.7153.279.538.5-18.2000117.5
85T29.4Very low39.5Very low111 Ų111129.3 Ų129.368%0.68178%0.779SS**  81.1111.4128.7-680000122.7
86Q33Very low39.1Very low166 Ų166129.5 Ų129.578%0.77678%0.775SS**  trans82.4118.6132.2-75.6176.537.200123.7
87S37.7Very low38.7Very low93 Ų93130.1 Ų130.165%0.6577%0.772SS**  81.6123.3118.6-64.70000122
88Q35.2Very low38.4Very low179 Ų179133.2 Ų133.284%0.83678%0.78SS**  trans105.2111.1141.4-71174.33500121
89V37.3Very low38.5Very low123 Ų123132.2 Ų132.275%0.74578%0.782SS**  trans31.2121.8130.7-151.50000118.9
90T27.6Very low38.3Very low139 Ų139135.1 Ų135.185%0.85378%0.784SS**  171147.9112.532.40000113
91M37Very low38.7Very low177 Ų177138.3 Ų138.387%0.87279%0.789SS**  trans-65.8139.6-177-59.4-108.7-85.400113.1
92T30Very low38.8Very low144 Ų144139.2 Ų139.288%0.88379%0.792SS**  trans-174.3117.7137.56.70000112.4
93T33Very low39.7Very low130 Ų130138 Ų13880%0.79878%0.784SS**  trans-62.7172150.4-1.70000110.2
94P48.4Very low40.3Very low117 Ų117139.5 Ų139.576%0.7679%0.786SS**  cis-137.4179.6-6.537.1-17.1000115
95A34.1Very low40.7Very low92 Ų92139.5 Ų139.576%0.7678%0.784SS**  trans117.410215000000117.6
96E39.4Very low42.3Very low163 Ų163142.9 Ų142.976%0.76279%0.791SS**  56106.4124.9-135.7-176.1106.100119.1
97K36.4Very low43.2Very low177 Ų177143.4 Ų143.477%0.7779%0.794SS**  158.5104.3117.2-79.8154.3-158.1-178.40112.2
98K42Very low44Very low210 Ų210147.7 Ų147.791%0.91380%0.804SS**  trans42.5102.1133.4-162.7-177.8-173.5-176.30118.5
99A50.3Low44.8Very low92 Ų92148.1 Ų148.176%0.7681%0.806SS**  160.4101.6125.400000111.1
100E42.8Very low45.7Very low184 Ų184150.6 Ų150.686%0.8681%0.809SS**  trans-149.5115.3158.7-68.6-168.6135.300105.6
101D50.5Low47.1Very low160 Ų160152.6 Ų152.686%0.85681%0.809SS**  61.197.190.2-156.1-108.6000110.9
102V50.8Low48.2Very low128 Ų128150.4 Ų150.478%0.77680%0.796SS**  trans-106.4104.8-177.2-161.50000108
103V55.2Low50.2Low105 Ų105152.5 Ų152.564%0.63680%0.796SS**  trans-20.7134.9154.7-93.30000114.5V105V103-V105 PolarHBondContact O-N 3.19Å; V103-V105 VanDerWaalsContact O-N 3.13Å
104P50.9Low52.3Low123 Ų123151.5 Ų151.580%0.79978%0.779SS**  trans-67.8112.4164.728.9-27.6000107.2E106P104-E106 PolarHBondContact O-N 3.42Å
105V54.5Low53.8Low117 Ų117150.4 Ų150.471%0.70977%0.769SS**  trans-69.6108169.8177.30000106V103 E107V103-V105 PolarHBondContact O-N 3.19Å; V103-V105 VanDerWaalsContact O-N 3.13Å; V105-E107 PolarHBondContact O-N 2.9Å; V105-E107 VanDerWaalsContact O-N 3.14Å
106E61.4Low56.2Low181 Ų181147.4 Ų147.485%0.84674%0.742SS**  trans-63.5107.1159.2-70.5-177.2161.100105.7P104 E108P104-E106 PolarHBondContact O-N 3.42Å; E106-E108 VanDerWaalsContact C-N 3.33Å; E106-E108 PolarHBondContact O-N 3.18Å
107E52.9Low58.4Low178 Ų178144.4 Ų144.483%0.83273%0.728SS**  trans-6497.8169.3-71.5176.4158.200106.7V105 E109V105-E107 PolarHBondContact O-N 2.9Å; V105-E107 VanDerWaalsContact O-N 3.14Å; E107-E109 PolarHBondContact O-N 3.05Å
108E54.1Low60.6Low183 Ų183141.5 Ų141.586%0.85572%0.715SS**  trans-60.6103.6159.7-75.5179.415600106E106 E110E106-E108 VanDerWaalsContact C-N 3.33Å; E106-E108 PolarHBondContact O-N 3.18Å; E108-E110 VanDerWaalsContact C-N 3.33Å; E108-E110 PolarHBondContact O-N 3.3Å
109E53.2Low62.8Low188 Ų188131.9 Ų131.988%0.87967%0.674SS**  trans-58.299.2167.6-86.5-179149.700107.1E107 E111E107-E109 PolarHBondContact O-N 3.05Å; E109-E111 PolarHBondContact O-N 2.93Å
110E54.3Low64.3Low174 Ų174130.7 Ų130.781%0.81365%0.654SS**  trans-58.3111.7168.7-83.7-179.5152.400107.5E108 E112E108-E110 VanDerWaalsContact C-N 3.33Å; E108-E110 PolarHBondContact O-N 3.3Å; E110-E112 VanDerWaalsContact C-N 3.33Å; E110-E112 PolarHBondContact O-N 3Å
111E57.7Low66.2Low182 Ų182125.4 Ų125.485%0.8563%0.632SS**  trans-64.393.8172.6-69.2176.3178.700108.3E109 E113E109-E111 PolarHBondContact O-N 2.93Å; E111-E113 PolarHBondContact O-N 3.45Å
112E59.9Low68Low130 Ų130123.4 Ų123.461%0.60761%0.612SS**  trans-68.2113.1-178.8-69.4173.8161.200110.1E110 Y114E110-E112 VanDerWaalsContact C-N 3.33Å; E110-E112 PolarHBondContact O-N 3Å; E112-Y114 HydrophobicContact CB-CD2 4.25Å; E112-Y114 HydrophobicContact CB-CE2 3.52Å; E112-Y114 WeakPolarHBondContact O-CD2 3.49Å; E112-Y114 WeakPolarHBondContact O-CE2 3.34Å; E112-Y114 PolarHBondContact O-N 3.36Å; E112-Y114 PolarHBondContact OE2-OH 2.85Å
113E71.5Confident69.6Low189 Ų189121.8 Ų121.888%0.88359%0.592SS**  trans-74.6111.7176-69.2178-154.700111E111E111-E113 PolarHBondContact O-N 3.45Å
114Y78Confident71.3Confident109 Ų109121.1 Ų121.143%0.42759%0.588SS.*PPolyproline II helixtrans-99.1138.8177.2-66.8-87.6000112.2E112 V116 W135 F138E112-Y114 HydrophobicContact CB-CD2 4.25Å; E112-Y114 HydrophobicContact CB-CE2 3.52Å; E112-Y114 WeakPolarHBondContact O-CD2 3.49Å; E112-Y114 WeakPolarHBondContact O-CE2 3.34Å; E112-Y114 PolarHBondContact O-N 3.36Å; E112-Y114 PolarHBondContact OE2-OH 2.85Å; Y114-V116 PolarHBondContact O-N 3.14Å; Y114-W135 VanDerWaalsContact CB-CE3 3.41Å; Y114-W135 HydrophobicContact CG-CE3 4.49Å; Y114-W135 WeakPolarHBondContact O-CZ3 3.31Å; Y114-F138 HydrophobicContact CD1-CE2 4.04Å; Y114-F138 HydrophobicContact CD1-CZ 4.25Å; Y114-F138 HydrophobicContact CE1-CE2 4.31Å; Y114-F138 HydrophobicContact CE1-CZ 4.05Å
115V80.5Confident73Confident93 Ų93117.8 Ų117.856%0.56457%0.566SS**PPolyproline II helixtrans-77.5119.3179.3-179.80000110.8E117 K136V115-E117 PolarHBondContact O-N 3.13Å; V115-K136 HydrophobicContact CB-CB 4.16Å; V115-K136 HydrophobicContact CB-CD 4.42Å; V115-K136 HydrophobicContact CG1-CB 4.05Å; V115-K136 HydrophobicContact CG1-CD 3.78Å; V115-K136 VanDerWaalsContact O-CB 3.31Å; V115-K136 WeakPolarHBondContact O-CB 3.31Å; V115-K136 PolarHBondContact O-N 3.14Å
116V84.1Confident74.3Confident29 Ų29122 Ų12218%0.17657%0.574CS.*EExtended strand (participates in β ladder)trans-73.8122.6174.4-1730000110.6Y114 L133 W135 L156Y114-V116 PolarHBondContact O-N 3.14Å; V116-L133 HydrophobicContact CB-CD1 4.39Å; V116-L133 HydrophobicContact CG1-CB 4.31Å; V116-L133 HydrophobicContact CG1-CD1 4.03Å; V116-L133 HydrophobicContact CG1-CD2 3.8Å; V116-L133 HydrophobicContact CG1-CG 4.27Å; V116-L133 HydrophobicContact CG2-CD1 3.49Å; V116-L133 VanDerWaalsContact CG2-CD1 3.49Å; V116-W135 HydrophobicContact CG2-CE3 4.31Å; V116-W135 HydrophobicContact CG2-CZ3 3.85Å; V116-L156 HydrophobicContact CB-CD1 4.21Å; V116-L156 HydrophobicContact CG1-CD1 3.87Å
117E85.2Confident75.5Confident101 Ų101116.7 Ų116.747%0.47257%0.568SS.*EExtended strand (participates in β ladder)trans-80.8-44.9171.5-165.7-174.2149.900110.7V115 K134 K136V115-E117 PolarHBondContact O-N 3.13Å; E117-K134 WeakPolarHBondContact CA-O 3.14Å; E117-K134 HydrophobicContact CB-CB 4.34Å; E117-K134 HydrophobicContact CB-CG 4.01Å; E117-K134 WeakPolarHBondContact CB-O 3.5Å; E117-K134 HydrophobicContact CG-CG 4.46Å; E117-K134 PolarHBondContact N-O 2.98Å; E117-K134 IonicContact OE2-NZ 3.56Å; E117-K134 PolarHBondContact OE2-NZ 3.06Å; E117-K136 HydrophobicContact CB-CB 4.07Å
118K83.3Confident76.8Confident116 Ų116116.2 Ų116.250%0.50456%0.559SS.*EExtended strand (participates in β ladder)trans-162.8143-174.9-168.2175.1176.7-175.40113.6L120 K134K118-L120 HydrophobicContact CD-CD2 4.11Å; K118-L120 HydrophobicContact CG-CD2 4.33Å; K118-K134 HydrophobicContact CB-CB 4.18Å; K118-K134 PolarHBondContact N-O 2.96Å; K118-K134 PolarHBondContact O-N 2.73Å
119V86.9Confident78.3Confident8 Ų8109.2 Ų109.25%0.04853%0.529CS..EExtended strand (participates in β ladder)trans-81115.2165.8178.50000109.4Y131 L133 L156 I157 F160V119-Y131 HydrophobicContact CG1-CD1 3.6Å; V119-Y131 HydrophobicContact CG1-CE1 4.42Å; V119-Y131 HydrophobicContact CG1-CG 4.31Å; V119-L133 HydrophobicContact CG2-CD2 3.9Å; V119-L156 HydrophobicContact CG2-CB 3.93Å; V119-I157 HydrophobicContact CG2-CG1 3.93Å; V119-F160 HydrophobicContact CB-CB 4.19Å; V119-F160 HydrophobicContact CB-CG 4.44Å; V119-F160 HydrophobicContact CG1-CB 3.96Å; V119-F160 HydrophobicContact CG1-CD1 4.12Å; V119-F160 HydrophobicContact CG1-CD2 4.07Å; V119-F160 HydrophobicContact CG1-CG 3.77Å
120L83.4Confident80Confident67 Ų67102 Ų10235%0.35150%0.495SS..EExtended strand (participates in β ladder)trans-91.1-40.3-177.7-64.1-178.5000112.4K118 L132 K134 N143 F160K118-L120 HydrophobicContact CD-CD2 4.11Å; K118-L120 HydrophobicContact CG-CD2 4.33Å; L120-L132 HydrophobicContact CB-CB 4.39Å; L120-L132 HydrophobicContact CB-CD2 4.17Å; L120-L132 HydrophobicContact CB-CG 4.24Å; L120-L132 WeakPolarHBondContact CB-O 3.43Å; L120-L132 HydrophobicContact CD1-CD2 4.39Å; L120-L132 HydrophobicContact CD1-CG 4.46Å; L120-L132 PolarHBondContact N-O 3.35Å; L120-K134 HydrophobicContact CD1-CB 4.06Å; L120-K134 HydrophobicContact CD2-CB 4.37Å; L120-K134 HydrophobicContact CG-CB 4.11Å; L120-N143 WeakPolarHBondContact CD1-ND2 3.28Å; L120-F160 WeakPolarHBondContact O-CE2 3.31Å
121N82.7Confident81.5Confident73 Ų7393.9 Ų93.939%0.3946%0.457SS..EExtended strand (participates in β ladder)trans-152.1165.4-175.3-150.3-7.3000112.4Y131 L132 W145N121-Y131 CarbonylContact O-C 3.57Å; N121-Y131 VanDerWaalsContact O-CA 3.27Å; N121-Y131 WeakPolarHBondContact O-CA 3.44Å; N121-L132 HydrophobicContact CB-CB 3.84Å; N121-L132 HydrophobicContact CB-CD2 4.28Å; N121-L132 PolarHBondContact N-O 2.88Å; N121-L132 PolarHBondContact O-N 3.27Å; N121-W145 HydrophobicContact CB-CH2 3.8Å; N121-W145 HydrophobicContact CB-CZ3 4.32Å
122R87.5Confident83Confident117 Ų11786.8 Ų86.844%0.44242%0.424SS..EExtended strand (participates in β ladder)trans-135.7134.5174.3-173.3-168.482.1-177.95.7109.9V129 E130 Y131 F160R122-V129 HydrophobicContact CG-CG1 3.6Å; R122-E130 CarbonylContact C-O 3.55Å; R122-E130 WeakPolarHBondContact CA-O 3.23Å; R122-Y131 HydrophobicContact CB-CD1 3.73Å; R122-Y131 HydrophobicContact CB-CE1 3.68Å; R122-Y131 HydrophobicContact CG-CD1 3.76Å; R122-Y131 HydrophobicContact CG-CE1 3.39Å; R122-Y131 HydrophobicContact CG-CE2 4.49Å; R122-Y131 HydrophobicContact CG-CG 4.46Å; R122-F160 HydrophobicContact CB-CD1 4.44Å; R122-F160 HydrophobicContact CB-CE1 3.57Å; R122-F160 HydrophobicContact CB-CZ 4.18Å
123R85.3Confident84.3Confident95 Ų9580.6 Ų80.636%0.35840%0.396SS..EExtended strand (participates in β ladder)trans-132.1165.1171.171.4-176.2-176.9-170.5-0.7110.8V125 E130 W145R123-V125 HydrophobicContact CG-CG2 3.94Å; R123-E130 HydrophobicContact CG-CB 4.03Å; R123-E130 IonicContact CZ-OE2 2.76Å; R123-E130 PolarHBondContact N-O 2.94Å; R123-E130 IonicContact NE-OE2 2.98Å; R123-E130 PolarHBondContact NE-OE2 3.32Å; R123-E130 IonicContact NH2-OE2 3.89Å; R123-E130 PolarHBondContact NH2-OE2 2.84Å; R123-E130 PolarHBondContact O-N 2.88Å; R123-W145 HydrophobicContact CB-CE3 4.5Å; R123-W145 HydrophobicContact CB-CH2 3.95Å; R123-W145 HydrophobicContact CB-CZ3 3.77Å; R123-W145 HydrophobicContact CG-CD2 4.3Å; R123-W145 HydrophobicContact CG-CE3 3.59Å; R123-W145 HydrophobicContact CG-CH2 3.83Å; R123-W145 HydrophobicContact CG-CZ3 3.34Å; R123-W145 VanDerWaalsContact CZ-CD2 3.43Å; R123-W145 VanDerWaalsContact NH2-CG 3.33Å
124V89.6Confident85.1Confident91 Ų9173 Ų7355%0.55236%0.36SS*.EExtended strand (participates in β ladder)trans-120.2115.6172.9-176.80000107.6R128 V129V124-R128 CarbonylContact C-O 3.55Å; V124-R128 WeakPolarHBondContact CA-O 3.47Å; V124-V129 HydrophobicContact CG2-CG2 4.36Å
125V86.1Confident85.6Confident53 Ų5369.1 Ų69.132%0.32134%0.344SS..EExtended strand (participates in β ladder)trans-121.5124.5-179.9178.50000108.2R123 G127 R128R123-V125 HydrophobicContact CG-CG2 3.94Å; V125-G127 PolarHBondContact O-N 3.05Å; V125-R128 PolarHBondContact N-O 2.73Å; V125-R128 PolarHBondContact O-N 2.89Å
126K83.2Confident85.6Confident205 Ų20571.3 Ų71.389%0.89135%0.346SS*.THydrogen-bonded Turntrans51.333.7179.7-61.3175178.3174.50113.6R128K126-R128 VanDerWaalsContact C-N 3.28Å; K126-R128 PolarHBondContact O-N 2.72Å
127G85.8Confident85.4Confident70 Ų7073.7 Ų73.772%0.72238%0.376SS*.THydrogen-bonded Turntrans80.4-1.7-178.900000115.5V125V125-G127 PolarHBondContact O-N 3.05Å
128R81.4Confident85.1Confident167 Ų16773.5 Ų73.563%0.6337%0.374SS*.EExtended strand (participates in β ladder)trans-98.4141.2172.6-59.3-173.3-144.6175.14.5110.3V124 V125 K126V124-R128 CarbonylContact C-O 3.55Å; V124-R128 WeakPolarHBondContact CA-O 3.47Å; V125-R128 PolarHBondContact N-O 2.73Å; V125-R128 PolarHBondContact O-N 2.89Å; K126-R128 VanDerWaalsContact C-N 3.28Å; K126-R128 PolarHBondContact O-N 2.72Å
129V85.5Confident84.9Confident36 Ų3670.3 Ų70.322%0.21837%0.366CS..EExtended strand (participates in β ladder)trans-86.7129.9176-175.60000108R122 V124 Y131 P147 E148R122-V129 HydrophobicContact CG-CG1 3.6Å; V124-V129 HydrophobicContact CG2-CG2 4.36Å; V129-Y131 HydrophobicContact CB-CE2 4.48Å; V129-Y131 HydrophobicContact CG1-CD2 4.19Å; V129-Y131 HydrophobicContact CG1-CE2 3.51Å; V129-P147 WeakPolarHBondContact O-CA 3.41Å; V129-E148 HydrophobicContact CB-CB 4.21Å; V129-E148 WeakPolarHBondContact CB-OE2 3.34Å; V129-E148 PolarHBondContact O-N 2.93Å
130E89.2Confident84.4Confident37 Ų3775 Ų7517%0.17339%0.392CS..EExtended strand (participates in β ladder)trans-122.4143.2174.6-66.7173.1178.200109.1R122 R123 W145 E146R122-E130 CarbonylContact C-O 3.55Å; R122-E130 WeakPolarHBondContact CA-O 3.23Å; R123-E130 HydrophobicContact CG-CB 4.03Å; R123-E130 IonicContact CZ-OE2 2.76Å; R123-E130 PolarHBondContact N-O 2.94Å; R123-E130 IonicContact NE-OE2 2.98Å; R123-E130 PolarHBondContact NE-OE2 3.32Å; R123-E130 IonicContact NH2-OE2 3.89Å; R123-E130 PolarHBondContact NH2-OE2 2.84Å; R123-E130 PolarHBondContact O-N 2.88Å; E130-W145 HydrophobicContact CB-CE3 4.05Å; E130-E146 CarbonylContact C-O 3.55Å; E130-E146 VanDerWaalsContact CA-O 3.3Å; E130-E146 WeakPolarHBondContact CA-O 3.2Å
131Y84.1Confident84.3Confident4 Ų478.7 Ų78.72%0.01641%0.411CS..EExtended strand (participates in β ladder)trans-117.3135.6176.8-64.3-90.5000110.4V119 N121 R122 V129 W145 E146 E148 L151 I157 F160V119-Y131 HydrophobicContact CG1-CD1 3.6Å; V119-Y131 HydrophobicContact CG1-CE1 4.42Å; V119-Y131 HydrophobicContact CG1-CG 4.31Å; N121-Y131 CarbonylContact O-C 3.57Å; N121-Y131 VanDerWaalsContact O-CA 3.27Å; N121-Y131 WeakPolarHBondContact O-CA 3.44Å; R122-Y131 HydrophobicContact CB-CD1 3.73Å; R122-Y131 HydrophobicContact CB-CE1 3.68Å; R122-Y131 HydrophobicContact CG-CD1 3.76Å; R122-Y131 HydrophobicContact CG-CE1 3.39Å; R122-Y131 HydrophobicContact CG-CE2 4.49Å; R122-Y131 HydrophobicContact CG-CG 4.46Å; V129-Y131 HydrophobicContact CB-CE2 4.48Å; V129-Y131 HydrophobicContact CG1-CD2 4.19Å; V129-Y131 HydrophobicContact CG1-CE2 3.51Å; Y131-W145 WeakPolarHBondContact O-CA 3.49Å; Y131-E146 PolarHBondContact N-O 2.85Å; Y131-E146 PolarHBondContact O-N 3.06Å; Y131-E148 HydrophobicContact CD2-CB 4.37Å; Y131-E148 HydrophobicContact CE2-CB 3.93Å; Y131-E148 HydrophobicContact CE2-CG 3.99Å; Y131-L151 HydrophobicContact CD2-CD1 3.56Å; Y131-L151 HydrophobicContact CG-CD1 3.95Å; Y131-I157 HydrophobicContact CD2-CD1 4.44Å; Y131-I157 HydrophobicContact CE1-CG1 4.44Å; Y131-I157 HydrophobicContact CE1-CG2 3.83Å; Y131-I157 HydrophobicContact CE2-CD1 4.25Å; Y131-I157 HydrophobicContact CE2-CG2 4.33Å; Y131-I157 WeakPolarHBondContact OH-CG2 3.01Å; Y131-F160 HydrophobicContact CE1-CD1 4.47Å
132L89.3Confident84.2Confident32 Ų3278.7 Ų78.717%0.16841%0.412CS..EExtended strand (participates in β ladder)trans-82.1118171.3-177.466000108.2L120 N121 N143 T144 W145L120-L132 HydrophobicContact CB-CB 4.39Å; L120-L132 HydrophobicContact CB-CD2 4.17Å; L120-L132 HydrophobicContact CB-CG 4.24Å; L120-L132 WeakPolarHBondContact CB-O 3.43Å; L120-L132 HydrophobicContact CD1-CD2 4.39Å; L120-L132 HydrophobicContact CD1-CG 4.46Å; L120-L132 PolarHBondContact N-O 3.35Å; N121-L132 HydrophobicContact CB-CB 3.84Å; N121-L132 HydrophobicContact CB-CD2 4.28Å; N121-L132 PolarHBondContact N-O 2.88Å; N121-L132 PolarHBondContact O-N 3.27Å; L132-N143 HydrophobicContact CD1-CB 3.81Å; L132-N143 HydrophobicContact CG-CB 4.26Å; L132-T144 WeakPolarHBondContact CA-O 3.23Å; L132-T144 WeakPolarHBondContact CD1-O 3.49Å; L132-W145 HydrophobicContact CB-CD2 4.01Å; L132-W145 HydrophobicContact CB-CE3 3.94Å; L132-W145 HydrophobicContact CB-CH2 4Å; L132-W145 HydrophobicContact CB-CZ2 4.04Å; L132-W145 HydrophobicContact CB-CZ3 3.91Å; L132-W145 HydrophobicContact CD1-CD2 4.26Å; L132-W145 HydrophobicContact CD1-CG 4.27Å; L132-W145 HydrophobicContact CD2-CZ2 4.4Å
133L88Confident84.2Confident0 Ų074.8 Ų74.80%040%0.399CS..EExtended strand (participates in β ladder)trans-102.7143.3-178.1-59.3-171.8000112.2V116 V119 W135 N143 T144 E146 L151V116-L133 HydrophobicContact CB-CD1 4.39Å; V116-L133 HydrophobicContact CG1-CB 4.31Å; V116-L133 HydrophobicContact CG1-CD1 4.03Å; V116-L133 HydrophobicContact CG1-CD2 3.8Å; V116-L133 HydrophobicContact CG1-CG 4.27Å; V116-L133 HydrophobicContact CG2-CD1 3.49Å; V116-L133 VanDerWaalsContact CG2-CD1 3.49Å; V119-L133 HydrophobicContact CG2-CD2 3.9Å; L133-W135 HydrophobicContact CB-CD2 4.48Å; L133-W135 HydrophobicContact CB-CZ2 4.37Å; L133-W135 HydrophobicContact CD1-CE3 4.38Å; L133-W135 HydrophobicContact CD1-CH2 3.5Å; L133-W135 VanDerWaalsContact CD1-CH2 3.5Å; L133-W135 HydrophobicContact CD1-CZ2 3.86Å; L133-W135 HydrophobicContact CD1-CZ3 3.77Å; L133-N143 VanDerWaalsContact O-CA 3.26Å; L133-N143 WeakPolarHBondContact O-CA 3.27Å; L133-N143 VanDerWaalsContact O-CB 3.24Å; L133-N143 WeakPolarHBondContact O-CB 3.46Å; L133-N143 PolarHBondContact O-OD1 2.83Å; L133-N143 VanDerWaalsContact O-OD1 3.13Å; L133-T144 PolarHBondContact N-O 2.88Å; L133-E146 HydrophobicContact CD1-CB 4.24Å; L133-E146 HydrophobicContact CD1-CG 3.98Å; L133-E146 HydrophobicContact CG-CG 4.41Å; L133-L151 HydrophobicContact CD1-CD2 3.24Å; L133-L151 HydrophobicContact CD2-CD1 4.29Å; L133-L151 HydrophobicContact CD2-CD2 4.24Å; L133-L151 HydrophobicContact CG-CD2 4.08Å
134K88.6Confident84.2Confident31 Ų3172.9 Ų72.914%0.13540%0.398CS..EExtended strand (participates in β ladder)trans-92116.7158.5179.560.517960.10108.4E117 K118 L120 F138 D140 N143E117-K134 WeakPolarHBondContact CA-O 3.14Å; E117-K134 HydrophobicContact CB-CB 4.34Å; E117-K134 HydrophobicContact CB-CG 4.01Å; E117-K134 WeakPolarHBondContact CB-O 3.5Å; E117-K134 HydrophobicContact CG-CG 4.46Å; E117-K134 PolarHBondContact N-O 2.98Å; E117-K134 IonicContact OE2-NZ 3.56Å; E117-K134 PolarHBondContact OE2-NZ 3.06Å; K118-K134 HydrophobicContact CB-CB 4.18Å; K118-K134 PolarHBondContact N-O 2.96Å; K118-K134 PolarHBondContact O-N 2.73Å; L120-K134 HydrophobicContact CD1-CB 4.06Å; L120-K134 HydrophobicContact CD2-CB 4.37Å; L120-K134 HydrophobicContact CG-CB 4.11Å; K134-F138 WeakPolarHBondContact CE-O 3.3Å; K134-F138 PolarHBondContact NZ-O 3.45Å; K134-D140 HydrophobicContact CD-CB 4.48Å; K134-N143 VanDerWaalsContact CA-OD1 3.3Å; K134-N143 WeakPolarHBondContact CA-OD1 3.22Å; K134-N143 WeakPolarHBondContact CD-OD1 3.38Å
135W88.6Confident84.4Confident27 Ų2772.1 Ų72.110%0.10239%0.386CS..EExtended strand (participates in β ladder)trans-80.7138.7176.8-57.7112000111.1Y114 V116 L133 G137 F138 D142 T144 E146Y114-W135 VanDerWaalsContact CB-CE3 3.41Å; Y114-W135 HydrophobicContact CG-CE3 4.49Å; Y114-W135 WeakPolarHBondContact O-CZ3 3.31Å; V116-W135 HydrophobicContact CG2-CE3 4.31Å; V116-W135 HydrophobicContact CG2-CZ3 3.85Å; L133-W135 HydrophobicContact CB-CD2 4.48Å; L133-W135 HydrophobicContact CB-CZ2 4.37Å; L133-W135 HydrophobicContact CD1-CE3 4.38Å; L133-W135 HydrophobicContact CD1-CH2 3.5Å; L133-W135 VanDerWaalsContact CD1-CH2 3.5Å; L133-W135 HydrophobicContact CD1-CZ2 3.86Å; L133-W135 HydrophobicContact CD1-CZ3 3.77Å; W135-G137 PolarHBondContact O-N 3.45Å; W135-F138 HydrophobicContact CB-CB 3.98Å; W135-F138 HydrophobicContact CB-CD2 3.71Å; W135-F138 HydrophobicContact CB-CG 4.13Å; W135-F138 PolarHBondContact O-N 2.9Å; W135-D142 PolarHBondContact NE1-O 3.24Å; W135-T144 WeakPolarHBondContact CZ2-OG1 3.43Å; W135-T144 PolarHBondContact NE1-OG1 2.9Å; W135-E146 HydrophobicContact CH2-CG 3.92Å; W135-E146 HydrophobicContact CZ2-CG 3.63Å
136K79.9Confident84.5Confident139 Ų13971.5 Ų71.560%0.60438%0.379SS*.THydrogen-bonded Turntrans-73.2123.6-178.3-174.1-179.2-179.9-177.20110V115 E117 F138V115-K136 HydrophobicContact CB-CB 4.16Å; V115-K136 HydrophobicContact CB-CD 4.42Å; V115-K136 HydrophobicContact CG1-CB 4.05Å; V115-K136 HydrophobicContact CG1-CD 3.78Å; V115-K136 VanDerWaalsContact O-CB 3.31Å; V115-K136 WeakPolarHBondContact O-CB 3.31Å; V115-K136 PolarHBondContact O-N 3.14Å; E117-K136 HydrophobicContact CB-CB 4.07Å; K136-F138 VanDerWaalsContact C-N 3.33Å
137G79.2Confident84.5Confident78 Ų7863.5 Ų63.580%0.80435%0.348SS*.THydrogen-bonded Turntrans88.7-4.3179.200000114.8W135W135-G137 PolarHBondContact O-N 3.45Å
138F79.8Confident84.5Confident97 Ų9764.6 Ų64.643%0.42533%0.334SS..SBendtrans-102.9165.1173.5-66.6-88000110.7Y114 K134 W135 K136 D142Y114-F138 HydrophobicContact CD1-CE2 4.04Å; Y114-F138 HydrophobicContact CD1-CZ 4.25Å; Y114-F138 HydrophobicContact CE1-CE2 4.31Å; Y114-F138 HydrophobicContact CE1-CZ 4.05Å; K134-F138 WeakPolarHBondContact CE-O 3.3Å; K134-F138 PolarHBondContact NZ-O 3.45Å; W135-F138 HydrophobicContact CB-CB 3.98Å; W135-F138 HydrophobicContact CB-CD2 3.71Å; W135-F138 HydrophobicContact CB-CG 4.13Å; W135-F138 PolarHBondContact O-N 2.9Å; K136-F138 VanDerWaalsContact C-N 3.33Å; F138-D142 HydrophobicContact CB-CB 3.94Å; F138-D142 WeakPolarHBondContact CB-OD2 3.44Å
139S78.9Confident84.7Confident49 Ų4963.7 Ų63.734%0.34334%0.342SS..  trans-77.6175.4174.463.90000110.3D141 D142S139-D141 PolarHBondContact OG-N 3.18Å; S139-D142 PolarHBondContact N-OD2 3.02Å; S139-D142 VanDerWaalsContact N-OD2 3.17Å; S139-D142 PolarHBondContact O-N 3.23Å; S139-D142 PolarHBondContact OG-OD2 2.87Å
140D77.1Confident84.6Confident108 Ų10866.4 Ų66.458%0.57836%0.356SS*.SBendtrans-74.6-14171.856.6-27000113.5K134 D142 N143K134-D140 HydrophobicContact CD-CB 4.48Å; D140-D142 VanDerWaalsContact C-N 3.25Å; D140-D142 PolarHBondContact O-N 3.14Å; D140-N143 WeakPolarHBondContact CA-ND2 3.36Å; D140-N143 WeakPolarHBondContact O-CB 3.37Å; D140-N143 PolarHBondContact O-N 3.41Å; D140-N143 PolarHBondContact O-ND2 3.06Å
141D80.8Confident84.2Confident143 Ų14365.5 Ų65.577%0.76535%0.352SS*.THydrogen-bonded Turntrans-68.1-27.7170.3-63-41.2000112S139 N143S139-D141 PolarHBondContact OG-N 3.18Å; D141-N143 PolarHBondContact O-N 3.19Å
142D80.1Confident84Confident74 Ų7473.1 Ų73.140%0.39639%0.393SS..THydrogen-bonded Turntrans-83.25.3179.6-59.5-50.7000113W135 F138 S139 D140 T144W135-D142 PolarHBondContact NE1-O 3.24Å; F138-D142 HydrophobicContact CB-CB 3.94Å; F138-D142 WeakPolarHBondContact CB-OD2 3.44Å; S139-D142 PolarHBondContact N-OD2 3.02Å; S139-D142 VanDerWaalsContact N-OD2 3.17Å; S139-D142 PolarHBondContact O-N 3.23Å; S139-D142 PolarHBondContact OG-OD2 2.87Å; D140-D142 VanDerWaalsContact C-N 3.25Å; D140-D142 PolarHBondContact O-N 3.14Å; D142-T144 PolarHBondContact O-N 3.33Å
143N87.1Confident83.5Confident34 Ų3472.5 Ų72.518%0.18239%0.391CS..  trans-66.7120.5-177.7-65.5-23.3000111.4L120 L132 L133 K134 D140 D141L120-N143 WeakPolarHBondContact CD1-ND2 3.28Å; L132-N143 HydrophobicContact CD1-CB 3.81Å; L132-N143 HydrophobicContact CG-CB 4.26Å; L133-N143 VanDerWaalsContact O-CA 3.26Å; L133-N143 WeakPolarHBondContact O-CA 3.27Å; L133-N143 VanDerWaalsContact O-CB 3.24Å; L133-N143 WeakPolarHBondContact O-CB 3.46Å; L133-N143 PolarHBondContact O-OD1 2.83Å; L133-N143 VanDerWaalsContact O-OD1 3.13Å; K134-N143 VanDerWaalsContact CA-OD1 3.3Å; K134-N143 WeakPolarHBondContact CA-OD1 3.22Å; K134-N143 WeakPolarHBondContact CD-OD1 3.38Å; D140-N143 WeakPolarHBondContact CA-ND2 3.36Å; D140-N143 WeakPolarHBondContact O-CB 3.37Å; D140-N143 PolarHBondContact O-N 3.41Å; D140-N143 PolarHBondContact O-ND2 3.06Å; D141-N143 PolarHBondContact O-N 3.19Å
144T86.8Confident83.3Confident55 Ų5577 Ų7734%0.33742%0.42SS..  trans-111.9156.7-179.9600000112.5L132 L133 W135 D142 E146L132-T144 WeakPolarHBondContact CA-O 3.23Å; L132-T144 WeakPolarHBondContact CD1-O 3.49Å; L133-T144 PolarHBondContact N-O 2.88Å; W135-T144 WeakPolarHBondContact CZ2-OG1 3.43Å; W135-T144 PolarHBondContact NE1-OG1 2.9Å; D142-T144 PolarHBondContact O-N 3.33Å; T144-E146 WeakPolarHBondContact CB-OE1 3.4Å; T144-E146 PolarHBondContact OG1-OE1 3.26Å
145W92.2Very high82.9Confident76 Ų7682.1 Ų82.129%0.28845%0.449SS..EExtended strand (participates in β ladder)trans-91.3106.6173.6-73.294000109.3N121 R123 E130 Y131 L132N121-W145 HydrophobicContact CB-CH2 3.8Å; N121-W145 HydrophobicContact CB-CZ3 4.32Å; R123-W145 HydrophobicContact CB-CE3 4.5Å; R123-W145 HydrophobicContact CB-CH2 3.95Å; R123-W145 HydrophobicContact CB-CZ3 3.77Å; R123-W145 HydrophobicContact CG-CD2 4.3Å; R123-W145 HydrophobicContact CG-CE3 3.59Å; R123-W145 HydrophobicContact CG-CH2 3.83Å; R123-W145 HydrophobicContact CG-CZ3 3.34Å; R123-W145 VanDerWaalsContact CZ-CD2 3.43Å; R123-W145 VanDerWaalsContact NH2-CG 3.33Å; E130-W145 HydrophobicContact CB-CE3 4.05Å; Y131-W145 WeakPolarHBondContact O-CA 3.49Å; L132-W145 HydrophobicContact CB-CD2 4.01Å; L132-W145 HydrophobicContact CB-CE3 3.94Å; L132-W145 HydrophobicContact CB-CH2 4Å; L132-W145 HydrophobicContact CB-CZ2 4.04Å; L132-W145 HydrophobicContact CB-CZ3 3.91Å; L132-W145 HydrophobicContact CD1-CD2 4.26Å; L132-W145 HydrophobicContact CD1-CG 4.27Å; L132-W145 HydrophobicContact CD2-CZ2 4.4Å
146E88.9Confident82.6Confident39 Ų3983.4 Ų83.418%0.18246%0.457CS..EExtended strand (participates in β ladder)trans-103.3136.6-179.8-63.4-52.3137.400110.6E130 Y131 L133 W135 T144 N150 L151E130-E146 CarbonylContact C-O 3.55Å; E130-E146 VanDerWaalsContact CA-O 3.3Å; E130-E146 WeakPolarHBondContact CA-O 3.2Å; Y131-E146 PolarHBondContact N-O 2.85Å; Y131-E146 PolarHBondContact O-N 3.06Å; L133-E146 HydrophobicContact CD1-CB 4.24Å; L133-E146 HydrophobicContact CD1-CG 3.98Å; L133-E146 HydrophobicContact CG-CG 4.41Å; W135-E146 HydrophobicContact CH2-CG 3.92Å; W135-E146 HydrophobicContact CZ2-CG 3.63Å; T144-E146 WeakPolarHBondContact CB-OE1 3.4Å; T144-E146 PolarHBondContact OG1-OE1 3.26Å; E146-N150 PolarHBondContact OE2-ND2 2.73Å; E146-L151 HydrophobicContact CB-CD1 4.39Å; E146-L151 HydrophobicContact CB-CD2 3.68Å; E146-L151 HydrophobicContact CB-CG 4.13Å; E146-L151 HydrophobicContact CG-CD2 4.34Å
147P84.3Confident82.8Confident38 Ų3877.4 Ų77.425%0.24743%0.432CS..EExtended strand (participates in β ladder)trans-65.7148.6176.128.5-32.8000110.4V129 D149 N150 L151V129-P147 WeakPolarHBondContact O-CA 3.41Å; P147-D149 PolarHBondContact O-N 3.35Å; P147-D149 VanDerWaalsContact O-N 3.08Å; P147-N150 HydrophobicContact CG-CB 3.73Å; P147-N150 PolarHBondContact O-N 2.88Å; P147-L151 WeakPolarHBondContact O-CG 3.31Å
148E85.9Confident83.1Confident92 Ų9276.3 Ų76.343%0.4342%0.415SS..G310 helixtrans-53.4-32.3177.9-174.5168.6-174.200112.8V129 Y131 N150 L151V129-E148 HydrophobicContact CB-CB 4.21Å; V129-E148 WeakPolarHBondContact CB-OE2 3.34Å; V129-E148 PolarHBondContact O-N 2.93Å; Y131-E148 HydrophobicContact CD2-CB 4.37Å; Y131-E148 HydrophobicContact CE2-CB 3.93Å; Y131-E148 HydrophobicContact CE2-CG 3.99Å; E148-N150 PolarHBondContact O-N 3.08Å; E148-L151 PolarHBondContact O-N 2.83Å
149D84.9Confident83.2Confident149 Ų14978.5 Ų78.580%0.79743%0.427SS*.G310 helixtrans-67.1-21.9177.5-54.3-55.3000113.5P147P147-D149 PolarHBondContact O-N 3.35Å; P147-D149 VanDerWaalsContact O-N 3.08Å
150N82.6Confident83.4Confident93 Ų9377.4 Ų77.450%0.49742%0.416SS..G310 helixtrans-94.76.3178.6-166.339.7000112.6E146 P147 E148E146-N150 PolarHBondContact OE2-ND2 2.73Å; P147-N150 HydrophobicContact CG-CB 3.73Å; P147-N150 PolarHBondContact O-N 2.88Å; E148-N150 PolarHBondContact O-N 3.08Å
151L81.6Confident83.7Confident18 Ų1875 Ų759%0.09440%0.403CS..  trans-116.6104.2-169.8-64.9-179.1000113.7Y131 L133 E146 P147 E148 C153 I157Y131-L151 HydrophobicContact CD2-CD1 3.56Å; Y131-L151 HydrophobicContact CG-CD1 3.95Å; L133-L151 HydrophobicContact CD1-CD2 3.24Å; L133-L151 HydrophobicContact CD2-CD1 4.29Å; L133-L151 HydrophobicContact CD2-CD2 4.24Å; L133-L151 HydrophobicContact CG-CD2 4.08Å; E146-L151 HydrophobicContact CB-CD1 4.39Å; E146-L151 HydrophobicContact CB-CD2 3.68Å; E146-L151 HydrophobicContact CB-CG 4.13Å; E146-L151 HydrophobicContact CG-CD2 4.34Å; P147-L151 WeakPolarHBondContact O-CG 3.31Å; E148-L151 PolarHBondContact O-N 2.83Å; L151-C153 VanDerWaalsContact C-N 3.26Å; L151-C153 PolarHBondContact O-N 2.91Å; L151-C153 VanDerWaalsContact O-N 3.13Å; L151-I157 HydrophobicContact CB-CD1 4.17Å; L151-I157 HydrophobicContact CD1-CD1 4.21Å
152D79.6Confident83.7Confident164 Ų16474.5 Ų74.588%0.87740%0.396SS*.  trans-87.743.9173.6-69.3-54.7000113.6
153C79.7Confident83.7Confident19 Ų1978 Ų7813%0.12841%0.408CS..  trans-134.863.9179.966.60000114.5L151 D155 L156 I157L151-C153 VanDerWaalsContact C-N 3.26Å; L151-C153 PolarHBondContact O-N 2.91Å; L151-C153 VanDerWaalsContact O-N 3.13Å; C153-D155 VanDerWaalsContact C-N 3.3Å; C153-D155 PolarHBondContact O-N 2.87Å; C153-L156 HydrophobicContact CB-CB 4.48Å; C153-L156 HydrophobicContact CB-CD1 4.22Å; C153-L156 PolarHBondContact O-N 2.85Å; C153-I157 WeakPolarHBondContact O-CG1 3.33Å; C153-I157 PolarHBondContact O-N 2.87Å
154P82.2Confident83.2Confident93 Ų9381.3 Ų81.360%0.60442%0.422SS*.Hα-helixtrans-62.2-31.2-175.724.6-34.6000113.9I157 A158P154-I157 PolarHBondContact O-N 2.81Å; P154-A158 VanDerWaalsContact O-CB 3.24Å; P154-A158 WeakPolarHBondContact O-CB 3.34Å; P154-A158 PolarHBondContact O-N 3.26Å
155D79.8Confident82.6Confident140 Ų14085.2 Ų85.275%0.74943%0.434SS*.Hα-helixtrans-67.7-41.2-179.3-70.4-36.4000112.7C153 Q159C153-D155 VanDerWaalsContact C-N 3.3Å; C153-D155 PolarHBondContact O-N 2.87Å; D155-Q159 WeakPolarHBondContact O-CB 3.46Å; D155-Q159 PolarHBondContact O-N 3.35Å
156L82.8Confident81.3Confident53 Ų5385 Ų8528%0.27745%0.445SS..Hα-helixtrans-68.8-40.5177.8-66.5-179.9000110.9V116 V119 C153 Q159 F160V116-L156 HydrophobicContact CB-CD1 4.21Å; V116-L156 HydrophobicContact CG1-CD1 3.87Å; V119-L156 HydrophobicContact CG2-CB 3.93Å; C153-L156 HydrophobicContact CB-CB 4.48Å; C153-L156 HydrophobicContact CB-CD1 4.22Å; C153-L156 PolarHBondContact O-N 2.85Å; L156-Q159 PolarHBondContact O-N 2.78Å; L156-F160 PolarHBondContact O-N 3.38Å
157I83.8Confident80Confident14 Ų1485.8 Ų85.87%0.07246%0.458CS..Hα-helixtrans-63.4-48.7175.2-65.7169.2000110V119 Y131 L151 C153 P154 Q159 F160 L161V119-I157 HydrophobicContact CG2-CG1 3.93Å; Y131-I157 HydrophobicContact CD2-CD1 4.44Å; Y131-I157 HydrophobicContact CE1-CG1 4.44Å; Y131-I157 HydrophobicContact CE1-CG2 3.83Å; Y131-I157 HydrophobicContact CE2-CD1 4.25Å; Y131-I157 HydrophobicContact CE2-CG2 4.33Å; Y131-I157 WeakPolarHBondContact OH-CG2 3.01Å; L151-I157 HydrophobicContact CB-CD1 4.17Å; L151-I157 HydrophobicContact CD1-CD1 4.21Å; C153-I157 WeakPolarHBondContact O-CG1 3.33Å; C153-I157 PolarHBondContact O-N 2.87Å; P154-I157 PolarHBondContact O-N 2.81Å; I157-Q159 VanDerWaalsContact C-N 3.33Å; I157-Q159 PolarHBondContact O-N 3.26Å; I157-F160 WeakPolarHBondContact O-CB 3.46Å; I157-F160 PolarHBondContact O-N 3.11Å; I157-F160 VanDerWaalsContact O-N 3.12Å; I157-L161 HydrophobicContact CG2-CD1 3.88Å; I157-L161 HydrophobicContact CG2-CG 4.19Å; I157-L161 VanDerWaalsContact O-CG 3.3Å; I157-L161 WeakPolarHBondContact O-CG 3.5Å; I157-L161 PolarHBondContact O-N 2.87Å
158A85.3Confident78.5Confident55 Ų5591.2 Ų91.246%0.45548%0.479SS..Hα-helixtrans-59.1-42.8178.900000112.2P154 F160 L161 Q162P154-A158 VanDerWaalsContact O-CB 3.24Å; P154-A158 WeakPolarHBondContact O-CB 3.34Å; P154-A158 PolarHBondContact O-N 3.26Å; A158-F160 VanDerWaalsContact C-N 3.34Å; A158-F160 PolarHBondContact O-N 3.19Å; A158-L161 PolarHBondContact O-N 3.08Å; A158-Q162 VanDerWaalsContact O-CB 3.32Å; A158-Q162 WeakPolarHBondContact O-CB 3.43Å; A158-Q162 PolarHBondContact O-N 2.75Å
159Q81.8Confident76.9Confident143 Ų14393.2 Ų93.267%0.66849%0.489SS*.Hα-helixtrans-61.9-42.7176-174.7-179.588.200111.8D155 L156 I157 K163D155-Q159 WeakPolarHBondContact O-CB 3.46Å; D155-Q159 PolarHBondContact O-N 3.35Å; L156-Q159 PolarHBondContact O-N 2.78Å; I157-Q159 VanDerWaalsContact C-N 3.33Å; I157-Q159 PolarHBondContact O-N 3.26Å; Q159-K163 WeakPolarHBondContact O-CB 3.44Å; Q159-K163 PolarHBondContact O-N 2.95Å; Q159-K163 VanDerWaalsContact O-N 3.14Å
160F84.2Confident75.2Confident26 Ų2689.2 Ų89.211%0.11447%0.472CS..Hα-helixtrans-62-48175.8174.7-93.4000111.6V119 L120 R122 Y131 L156 I157 A158 Q162 K163 Q164V119-F160 HydrophobicContact CB-CB 4.19Å; V119-F160 HydrophobicContact CB-CG 4.44Å; V119-F160 HydrophobicContact CG1-CB 3.96Å; V119-F160 HydrophobicContact CG1-CD1 4.12Å; V119-F160 HydrophobicContact CG1-CD2 4.07Å; V119-F160 HydrophobicContact CG1-CG 3.77Å; L120-F160 WeakPolarHBondContact O-CE2 3.31Å; R122-F160 HydrophobicContact CB-CD1 4.44Å; R122-F160 HydrophobicContact CB-CE1 3.57Å; R122-F160 HydrophobicContact CB-CZ 4.18Å; Y131-F160 HydrophobicContact CE1-CD1 4.47Å; L156-F160 PolarHBondContact O-N 3.38Å; I157-F160 WeakPolarHBondContact O-CB 3.46Å; I157-F160 PolarHBondContact O-N 3.11Å; I157-F160 VanDerWaalsContact O-N 3.12Å; A158-F160 VanDerWaalsContact C-N 3.34Å; A158-F160 PolarHBondContact O-N 3.19Å; F160-Q162 PolarHBondContact O-N 3.21Å; F160-K163 WeakPolarHBondContact O-CB 3.44Å; F160-K163 PolarHBondContact O-N 3.29Å; F160-Q164 HydrophobicContact CD1-CG 4.32Å; F160-Q164 HydrophobicContact CE1-CG 3.82Å; F160-Q164 HydrophobicContact CE2-CG 4.29Å; F160-Q164 HydrophobicContact CZ-CG 3.8Å; F160-Q164 WeakPolarHBondContact O-CG 3.24Å; F160-Q164 PolarHBondContact O-N 3.17Å
161L83.2Confident73.7Confident57 Ų5790.1 Ų90.130%0.29848%0.481SS..Hα-helixtrans-63.6-41.6179.6-67179.7000112.5I157 A158 K163 Q164 K165I157-L161 HydrophobicContact CG2-CD1 3.88Å; I157-L161 HydrophobicContact CG2-CG 4.19Å; I157-L161 VanDerWaalsContact O-CG 3.3Å; I157-L161 WeakPolarHBondContact O-CG 3.5Å; I157-L161 PolarHBondContact O-N 2.87Å; A158-L161 PolarHBondContact O-N 3.08Å; L161-K163 VanDerWaalsContact C-N 3.31Å; L161-K163 PolarHBondContact O-N 3.3Å; L161-Q164 PolarHBondContact O-N 3.41Å; L161-K165 WeakPolarHBondContact O-CB 3.26Å; L161-K165 PolarHBondContact O-N 2.97Å
162Q81.1Confident71.9Confident132 Ų13292.6 Ų92.662%0.61751%0.511SS*.Hα-helixtrans-61.3-41.8177-175.464.512.400111.3A158 F160 K165 S166A158-Q162 VanDerWaalsContact O-CB 3.32Å; A158-Q162 WeakPolarHBondContact O-CB 3.43Å; A158-Q162 PolarHBondContact O-N 2.75Å; F160-Q162 PolarHBondContact O-N 3.21Å; Q162-K165 PolarHBondContact O-N 3.49Å; Q162-S166 PolarHBondContact O-N 3.18Å; Q162-S166 PolarHBondContact O-OG 3.33Å
163K79.3Confident70.1Confident149 Ų14993.5 Ų93.565%0.64851%0.507SS*.Hα-helixtrans-63.2-44.7175.9-170.7177.8178.6-174.20111.5Q159 F160 L161 S166 A167Q159-K163 WeakPolarHBondContact O-CB 3.44Å; Q159-K163 PolarHBondContact O-N 2.95Å; Q159-K163 VanDerWaalsContact O-N 3.14Å; F160-K163 WeakPolarHBondContact O-CB 3.44Å; F160-K163 PolarHBondContact O-N 3.29Å; L161-K163 VanDerWaalsContact C-N 3.31Å; L161-K163 PolarHBondContact O-N 3.3Å; K163-S166 PolarHBondContact O-OG 3.48Å; K163-A167 PolarHBondContact O-N 3.23Å
164Q76.8Confident68.5Low102 Ų102103 Ų10348%0.47754%0.54SS..Hα-helixtrans-64.1-42.9176.8-72.3-65.2-39.300112.6F160 L161 A167 H168F160-Q164 HydrophobicContact CD1-CG 4.32Å; F160-Q164 HydrophobicContact CE1-CG 3.82Å; F160-Q164 HydrophobicContact CE2-CG 4.29Å; F160-Q164 HydrophobicContact CZ-CG 3.8Å; F160-Q164 WeakPolarHBondContact O-CG 3.24Å; F160-Q164 PolarHBondContact O-N 3.17Å; L161-Q164 PolarHBondContact O-N 3.41Å; Q164-A167 PolarHBondContact O-N 2.87Å; Q164-H168 PolarHBondContact O-N 3.4Å; Q164-H168 VanDerWaalsContact O-N 3.09Å
165K74.7Confident66.8Low137 Ų137108.3 Ų108.360%0.59655%0.554SS**Hα-helixtrans-64.6-42.2-180-167.5173-179.1176.10112.2L161 Q162 A167 H168 E169L161-K165 WeakPolarHBondContact O-CB 3.26Å; L161-K165 PolarHBondContact O-N 2.97Å; Q162-K165 PolarHBondContact O-N 3.49Å; K165-A167 VanDerWaalsContact C-N 3.31Å; K165-A167 PolarHBondContact O-N 3.06Å; K165-H168 PolarHBondContact O-N 3.42Å; K165-E169 WeakPolarHBondContact O-CB 3.5Å; K165-E169 PolarHBondContact O-N 3.11Å
166S65.7Low65Low73 Ų73107 Ų10751%0.5156%0.555SS.*Hα-helixtrans-65.6-30.6176.768.50000113.6Q162 K163Q162-S166 PolarHBondContact O-N 3.18Å; Q162-S166 PolarHBondContact O-OG 3.33Å; K163-S166 PolarHBondContact O-OG 3.48Å
167A59.9Low62.7Low55 Ų55109.3 Ų109.346%0.45558%0.582SS.*Hα-helixtrans-71.2-42.6173.900000111.6K163 Q164 K165 S170K163-A167 PolarHBondContact O-N 3.23Å; Q164-A167 PolarHBondContact O-N 2.87Å; K165-A167 VanDerWaalsContact C-N 3.31Å; K165-A167 PolarHBondContact O-N 3.06Å; A167-S170 PolarHBondContact O-OG 3.19Å
168H53.8Low60.5Low151 Ų151117.8 Ų117.870%0.69962%0.622SS**Hα-helixtrans-77.5-32.1-177.7-163.5-85.4000113.5Q164 K165 S170 V171Q164-H168 PolarHBondContact O-N 3.4Å; Q164-H168 VanDerWaalsContact O-N 3.09Å; K165-H168 PolarHBondContact O-N 3.42Å; H168-S170 PolarHBondContact O-N 2.52Å; H168-V171 PolarHBondContact O-N 3.3Å
169E51.6Low58Low135 Ų135120.9 Ų120.963%0.63164%0.635SS**Hα-helixtrans-66-26.7176.6-164.3173.8125.900112.3K165 V171K165-E169 WeakPolarHBondContact O-CB 3.5Å; K165-E169 PolarHBondContact O-N 3.11Å; E169-V171 VanDerWaalsContact C-N 3.28Å; E169-V171 PolarHBondContact O-N 3.13Å
170S49.4Very low55.9Low64 Ų64118.9 Ų118.945%0.44864%0.637SS.*THydrogen-bonded Turntrans-74.9-11.517876.60000115A167 H168A167-S170 PolarHBondContact O-OG 3.19Å; H168-S170 PolarHBondContact O-N 2.52Å
171V51.6Low53.6Low113 Ų113124.1 Ų124.169%0.68567%0.67SS**THydrogen-bonded Turntrans-100-27.2-179.1-1790000112H168 E169H168-V171 PolarHBondContact O-N 3.3Å; E169-V171 VanDerWaalsContact C-N 3.28Å; E169-V171 PolarHBondContact O-N 3.13Å
172G43.2Very low51.4Low70 Ų70130.4 Ų130.472%0.72270%0.698SS**THydrogen-bonded Turntrans-84.8-5.5-174.800000117
173K42.5Very low49.1Very low183 Ų183127.8 Ų127.880%0.79671%0.707SS**THydrogen-bonded Turntrans-105.918.7-172-149.196.5167.6-168.60114.8
174R45.1Very low47Very low219 Ų219129.6 Ų129.683%0.82672%0.718SS**  trans-119.562.8-179.7-58.2-171.2-153.9157.67.5112.4
175K46.4Very low45.3Very low203 Ų203131.9 Ų131.988%0.88373%0.728SS**SBendtrans-147.965.6155.4-161160.6-175.3172.80111.3
176S42.1Very low43.5Very low113 Ų113131.2 Ų131.279%0.7974%0.741SS**SBendtrans178.4134.7147.7540000110.7
177A35.9Very low42.6Very low101 Ų101137.3 Ų137.384%0.83575%0.752SS**  trans83.782.1163.100000118
178E37.9Very low42Very low193 Ų193140.6 Ų140.690%0.90277%0.769SS**  trans-22.2126.6140-158.3-179.5125.200116.1
179T31.4Very low41.5Very low120 Ų120143.1 Ų143.174%0.73678%0.778SS**  -172.7117.4127.8-165.30000111.7
180S38.7Very low41.6Very low101 Ų101146.1 Ų146.171%0.70679%0.789SS**  trans53.8133133.7-41.70000123.7
181V35.8Very low41.7Very low135 Ų135154.5 Ų154.582%0.81881%0.811SS**  trans94125.5145.8-139.30000119.5
182E36.9Very low41.3Very low190 Ų190158.3 Ų158.389%0.88882%0.819SS**  trans-56.4155.1-178.7-60166.7118.100114.7
183G32.4Very low41.2Very low77 Ų77162.2 Ų162.279%0.79482%0.823SS**  trans-179.787.9175.700000112.7
184E34.9Very low41.5Very low187 Ų187158.6 Ų158.687%0.87481%0.812SS**  trans-16.6147.5170-53.8-162.6116.800121.6
185E42.3Very low41.8Very low150 Ų150153.6 Ų153.670%0.70181%0.808SS**  trans17112.5146.9-160178.3156.500118.3R187E185-R187 IonicContact OE1-NE 3.24Å; E185-R187 PolarHBondContact OE1-NE 3.03Å; E185-R187 IonicContact OE1-NH2 3.96Å
186S36.3Very low42.2Very low123 Ų123150.2 Ų150.286%0.8680%0.795SS**  trans-141.2111.1143.750.30000111.6
187R46.4Very low42.8Very low200 Ų200153.7 Ų153.776%0.75580%0.796SS**  trans-43.9156.8-178.4-79.6173.3-177.4-163.2-5.9116.9E185 K189E185-R187 IonicContact OE1-NE 3.24Å; E185-R187 PolarHBondContact OE1-NE 3.03Å; E185-R187 IonicContact OE1-NH2 3.96Å; R187-K189 PolarHBondContact O-N 3.25Å
188P46.8Very low44.1Very low125 Ų125153.7 Ų153.781%0.81278%0.781SS**  trans-72.1126.5-172.730.8-34.5000111.4K190P188-K190 PolarHBondContact O-N 3.47Å; P188-K190 VanDerWaalsContact O-N 3.09Å
189K44.2Very low45.9Very low203 Ų203149.9 Ų149.988%0.88376%0.759SS**  trans-8288.5170.1-79.1-178.4179.5165.70110.5R187 R191R187-K189 PolarHBondContact O-N 3.25Å; K189-R191 PolarHBondContact O-N 3.03Å
190K53.8Low48.5Very low198 Ų198144.3 Ų144.386%0.86173%0.726SS**  trans16.496142.8-162.3159.2-174.8163.60115P188P188-K190 PolarHBondContact O-N 3.47Å; P188-K190 VanDerWaalsContact O-N 3.09Å
191R51.1Low50.7Low241 Ų241140.9 Ų140.991%0.90970%0.698SS**  trans-116.298.8151.3-67.3-150.7168.6-146.7-2.6107.1K189 D193K189-R191 PolarHBondContact O-N 3.03Å; R191-D193 PolarHBondContact O-N 3.13Å
192K42.8Very low53Low193 Ų193137.5 Ų137.584%0.83968%0.684SS**  trans17100.8161.8-146.2158.3178.9177.50113.5D194K192-D194 PolarHBondContact O-N 2.81Å
193D42.2Very low55.2Low151 Ų151131.4 Ų131.481%0.80765%0.653SS**  trans-43.5103.8163.7-84.2-74.3000109.3R191R191-D193 PolarHBondContact O-N 3.13Å
194D48Very low57.7Low107 Ų107131 Ų13157%0.57265%0.649SS**  trans-81.1119.7146.4-122.7-47.4000104.9K192 E196 K197K192-D194 PolarHBondContact O-N 2.81Å; D194-E196 HydrophobicContact CB-CB 4.29Å; D194-E196 PolarHBondContact O-N 3.49Å; D194-K197 PolarHBondContact O-N 2.91Å; D194-K197 VanDerWaalsContact O-N 3.16Å
195P51.9Low60.3Low114 Ų114124.4 Ų124.474%0.7462%0.62SS**G310 helixtrans-56.6-14.9175.123.8-32.1000112.4K197P195-K197 VanDerWaalsContact C-N 3.31Å; P195-K197 PolarHBondContact O-N 2.87Å
196E55.1Low62.6Low133 Ų133122 Ų12262%0.62161%0.612SS**G310 helixtrans-73.7-8.5179.4-155.4134.8-149.600115.2D194 R199D194-E196 HydrophobicContact CB-CB 4.29Å; D194-E196 PolarHBondContact O-N 3.49Å; E196-R199 WeakPolarHBondContact O-CG 3.3Å
197K54.2Low65.4Low186 Ų186117.4 Ų117.481%0.80958%0.579SS**G310 helixtrans-93.9-16.5-178.1-159.6120.9-170.4168.30114.7D194 P195 R199D194-K197 PolarHBondContact O-N 2.91Å; D194-K197 VanDerWaalsContact O-N 3.16Å; P195-K197 VanDerWaalsContact C-N 3.31Å; P195-K197 PolarHBondContact O-N 2.87Å; K197-R199 PolarHBondContact O-N 3.35Å; K197-R199 VanDerWaalsContact O-N 3.07Å
198L63.3Low67.7Low100 Ų100112.1 Ų112.152%0.52456%0.563SS.*SBendtrans-82.378.8166.1-61.4175.9000106.2A202 R203L198-A202 HydrophobicContact CD2-CB 4.27Å; L198-R203 HydrophobicContact CB-CG 4.22Å; L198-R203 VanDerWaalsContact O-CD 3.25Å; L198-R203 WeakPolarHBondContact O-CD 3.4Å; L198-R203 WeakPolarHBondContact O-CG 3.43Å
199R75.2Confident70Confident113 Ų113112.2 Ų112.243%0.42655%0.547SS..  trans-105.3153.8172.4-82.3-17373.4-148.811.3110.9E196 K197 A202 D233 L234E196-R199 WeakPolarHBondContact O-CG 3.3Å; K197-R199 PolarHBondContact O-N 3.35Å; K197-R199 VanDerWaalsContact O-N 3.07Å; R199-A202 WeakPolarHBondContact O-CB 3.4Å; R199-A202 PolarHBondContact O-N 3.12Å; R199-D233 WeakPolarHBondContact CG-OD1 3.3Å; R199-D233 IonicContact CZ-OD1 2.73Å; R199-D233 IonicContact NE-OD1 3.63Å; R199-D233 PolarHBondContact NE-OD1 3.36Å; R199-D233 IonicContact NH2-OD1 2.97Å; R199-L234 VanDerWaalsContact NH2-N 3.17Å
200G85.4Confident72.4Confident4 Ų4102.6 Ų102.64%0.04151%0.505CS..G310 helixtrans67.5-138.2177.600000112.1A202 R203 W226 D233G200-A202 PolarHBondContact O-N 3.37Å; G200-A202 VanDerWaalsContact O-N 3.15Å; G200-R203 WeakPolarHBondContact O-CB 3.45Å; G200-R203 WeakPolarHBondContact O-CG 3.37Å; G200-R203 PolarHBondContact O-N 3.42Å; G200-W226 VanDerWaalsContact C-CH2 3.5Å; G200-D233 VanDerWaalsContact N-CG 3.31Å; G200-D233 PolarHBondContact N-OD2 3.03Å
201F86.6Confident74.3Confident28 Ų2897.1 Ų97.112%0.12348%0.484CS..G310 helixtrans-67.3-14.2-179.5-66.6-75000114.7R203 G204 P207 M224 W226 V235 E239 A240 K243F201-R203 PolarHBondContact O-N 3.43Å; F201-G204 PolarHBondContact O-N 3.26Å; F201-P207 HydrophobicContact CE1-CG 4.24Å; F201-M224 HydrophobicContact CZ-CE 4.33Å; F201-W226 HydrophobicContact CB-CH2 4.42Å; F201-W226 AromaticContact CD1-CH2 3.51Å; F201-W226 HydrophobicContact CD1-CH2 3.51Å; F201-W226 AromaticContact CD1-CZ3 3.6Å; F201-W226 HydrophobicContact CD1-CZ3 3.6Å; F201-W226 HydrophobicContact CD2-CH2 4.16Å; F201-W226 AromaticContact CE1-CH2 3.71Å; F201-W226 HydrophobicContact CE1-CH2 3.71Å; F201-W226 AromaticContact CE1-CZ3 3.78Å; F201-W226 HydrophobicContact CE1-CZ3 3.78Å; F201-W226 HydrophobicContact CE2-CH2 4.4Å; F201-W226 AromaticContact CG-CH2 3.75Å; F201-W226 HydrophobicContact CG-CH2 3.75Å; F201-W226 HydrophobicContact CG-CZ3 4.27Å; F201-W226 HydrophobicContact CZ-CH2 4.16Å; F201-V235 HydrophobicContact CD2-CG1 3.73Å; F201-V235 HydrophobicContact CE2-CG1 3.27Å; F201-V235 HydrophobicContact CZ-CG1 4.23Å; F201-E239 VanDerWaalsContact CD2-CD 3.48Å; F201-E239 HydrophobicContact CD2-CG 3.76Å; F201-E239 VanDerWaalsContact CD2-OE1 3.24Å; F201-E239 WeakPolarHBondContact CD2-OE1 3.35Å; F201-E239 HydrophobicContact CE2-CB 4.46Å; F201-E239 HydrophobicContact CE2-CG 3.9Å; F201-A240 HydrophobicContact CE2-CB 4.39Å; F201-A240 HydrophobicContact CZ-CB 4.42Å; F201-K243 HydrophobicContact CB-CD 3.82Å; F201-K243 HydrophobicContact CD1-CB 4.2Å; F201-K243 HydrophobicContact CD1-CD 3.61Å; F201-K243 HydrophobicContact CD2-CD 3.56Å; F201-K243 HydrophobicContact CE1-CB 3.71Å; F201-K243 HydrophobicContact CE1-CD 3.97Å; F201-K243 HydrophobicContact CE2-CB 4.11Å; F201-K243 HydrophobicContact CE2-CD 3.84Å; F201-K243 HydrophobicContact CE2-CG 4.48Å; F201-K243 HydrophobicContact CG-CD 3.39Å; F201-K243 HydrophobicContact CZ-CB 3.66Å; F201-K243 HydrophobicContact CZ-CD 4.07Å; F201-K243 HydrophobicContact CZ-CG 4.46Å
202A82.8Confident76.3Confident64 Ų6486.7 Ų86.753%0.52945%0.452SS..G310 helixtrans-66.6-17175.600000112.6L198 R199 G200 G204L198-A202 HydrophobicContact CD2-CB 4.27Å; R199-A202 WeakPolarHBondContact O-CB 3.4Å; R199-A202 PolarHBondContact O-N 3.12Å; G200-A202 PolarHBondContact O-N 3.37Å; G200-A202 VanDerWaalsContact O-N 3.15Å; A202-G204 PolarHBondContact O-N 3.02Å
203R82.8Confident78.7Confident63 Ų6380 Ų8024%0.23843%0.432CS..G310 helixtrans-72.3-15.7175-62.7174.672.3178.59.1113.5L198 G200 F201 L205 S229 E231 D233L198-R203 HydrophobicContact CB-CG 4.22Å; L198-R203 VanDerWaalsContact O-CD 3.25Å; L198-R203 WeakPolarHBondContact O-CD 3.4Å; L198-R203 WeakPolarHBondContact O-CG 3.43Å; G200-R203 WeakPolarHBondContact O-CB 3.45Å; G200-R203 WeakPolarHBondContact O-CG 3.37Å; G200-R203 PolarHBondContact O-N 3.42Å; F201-R203 PolarHBondContact O-N 3.43Å; R203-L205 HydrophobicContact CB-CB 4.45Å; R203-L205 HydrophobicContact CB-CD1 4.11Å; R203-L205 HydrophobicContact CB-CG 3.87Å; R203-L205 PolarHBondContact O-N 2.85Å; R203-S229 PolarHBondContact NH2-OG 2.87Å; R203-S229 VanDerWaalsContact NH2-OG 3.13Å; R203-E231 IonicContact CZ-OE2 3.21Å; R203-E231 IonicContact NH1-OE2 3.29Å; R203-E231 PolarHBondContact NH1-OE2 3.29Å; R203-E231 IonicContact NH2-OE2 2.7Å; R203-E231 PolarHBondContact NH2-OE2 3.47Å; R203-D233 VanDerWaalsContact CD-OD2 3.24Å; R203-D233 WeakPolarHBondContact CD-OD2 3.48Å; R203-D233 IonicContact CZ-OD2 2.7Å; R203-D233 IonicContact NH1-OD2 3.99Å; R203-D233 PolarHBondContact NH1-OD2 3.28Å
204G85.6Confident81.1Confident69 Ų6975 Ų7571%0.71141%0.407SS*.  trans65.119.7-173.300000113.5F201 A202F201-G204 PolarHBondContact O-N 3.26Å; A202-G204 PolarHBondContact O-N 3.02Å
205L89Confident83.1Confident48 Ų4875.7 Ų75.725%0.25141%0.411SS..PPolyproline II helixtrans-84.3146.7173.9-60.8176.8000110.2R203 W226R203-L205 HydrophobicContact CB-CB 4.45Å; R203-L205 HydrophobicContact CB-CD1 4.11Å; R203-L205 HydrophobicContact CB-CG 3.87Å; R203-L205 PolarHBondContact O-N 2.85Å; L205-W226 HydrophobicContact CB-CB 3.83Å; L205-W226 HydrophobicContact CB-CD2 4.09Å; L205-W226 HydrophobicContact CB-CE3 3.82Å; L205-W226 HydrophobicContact CB-CG 4.09Å; L205-W226 HydrophobicContact CD1-CB 3.68Å; L205-W226 HydrophobicContact CD1-CG 3.98Å; L205-W226 HydrophobicContact CG-CB 4.41Å; L205-W226 VanDerWaalsContact O-CE3 3.26Å; L205-W226 WeakPolarHBondContact O-CZ3 3.14Å
206D91.3Very high83.7Confident100 Ų10074.7 Ų74.754%0.53541%0.407SS..PPolyproline II helixtrans-74.9135.2172.6-79.1-17.7000110.1K227D206-K227 HydrophobicContact CB-CB 4.28Å; D206-K227 HydrophobicContact CB-CD 3.77Å; D206-K227 HydrophobicContact CB-CG 4.12Å; D206-K227 PolarHBondContact O-N 3.35Å; D206-K227 IonicContact OD2-NZ 3.57Å
207P94.7Very high84.5Confident25 Ų2573.1 Ų73.116%0.16241%0.407CS..EExtended strand (participates in β ladder)trans-68.9135.9174.326.9-30.5000110.4F201 M224 W226 C244 V247F201-P207 HydrophobicContact CE1-CG 4.24Å; P207-M224 HydrophobicContact CB-CE 4.19Å; P207-M224 HydrophobicContact CB-CG 4.22Å; P207-M224 HydrophobicContact CB-SD 3.63Å; P207-W226 HydrophobicContact CB-CE3 4.37Å; P207-W226 HydrophobicContact CB-CZ3 4.12Å; P207-C244 HydrophobicContact CB-CB 4.26Å; P207-C244 HydrophobicContact CG-CB 3.43Å; P207-C244 VanDerWaalsContact CG-CB 3.43Å; P207-V247 HydrophobicContact CB-CG2 4.48Å; P207-V247 HydrophobicContact CG-CG2 4.45Å
208E94.7Very high86Confident90 Ų9068.1 Ų68.142%0.42141%0.408SS..EExtended strand (participates in β ladder)trans-98.9-52.5176.9-169.2-175.8141.300111.3K225 K227E208-K225 HydrophobicContact CB-CG 4.39Å; E208-K225 WeakPolarHBondContact CB-O 3.38Å; E208-K225 PolarHBondContact N-O 3.39Å; E208-K225 IonicContact OE1-NZ 3.81Å; E208-K225 PolarHBondContact OE1-NZ 2.97Å; E208-K225 IonicContact OE2-NZ 2.75Å; E208-K225 PolarHBondContact OE2-NZ 3.09Å; E208-K227 HydrophobicContact CB-CG 3.85Å; E208-K227 HydrophobicContact CG-CG 4.23Å
209R94.5Very high87.1Confident126 Ų12666.8 Ų66.848%0.47540%0.399SS..EExtended strand (participates in β ladder)trans-163.6153.2-178.2-172.7179.3-73.3-115.8-2.8110.7K225 E254R209-K225 PolarHBondContact N-O 3.07Å; R209-K225 WeakPolarHBondContact O-CB 3.47Å; R209-K225 PolarHBondContact O-N 2.83Å; R209-E254 IonicContact CZ-OE1 2.72Å; R209-E254 VanDerWaalsContact NH1-CD 3.27Å; R209-E254 IonicContact NH1-OE1 2.73Å; R209-E254 PolarHBondContact NH1-OE1 3.41Å; R209-E254 IonicContact NH1-OE2 2.64Å; R209-E254 PolarHBondContact NH1-OE2 3.29Å; R209-E254 IonicContact NH2-OE1 2.66Å
210I95.4Very high87.8Confident1 Ų164.3 Ų64.31%0.00539%0.394CS..EExtended strand (participates in β ladder)trans-87.6122.1166.5-62.9161.8000109.2G212 F222 M224 V247 V248 F251I210-G212 VanDerWaalsContact CG2-O 3.23Å; I210-G212 WeakPolarHBondContact CG2-O 3.24Å; I210-F222 HydrophobicContact CD1-CB 4.26Å; I210-F222 HydrophobicContact CD1-CD1 4.09Å; I210-F222 HydrophobicContact CD1-CD2 3.81Å; I210-F222 HydrophobicContact CD1-CE1 4.38Å; I210-F222 HydrophobicContact CD1-CE2 4.11Å; I210-F222 HydrophobicContact CD1-CG 3.8Å; I210-F222 HydrophobicContact CD1-CZ 4.38Å; I210-F222 HydrophobicContact CG1-CB 4.16Å; I210-F222 HydrophobicContact CG1-CG 4.24Å; I210-F222 HydrophobicContact CG2-CB 3.83Å; I210-F222 HydrophobicContact CG2-CD1 3.75Å; I210-F222 HydrophobicContact CG2-CG 3.98Å; I210-M224 HydrophobicContact CD1-CE 4.36Å; I210-M224 HydrophobicContact CG1-CE 3.81Å; I210-M224 HydrophobicContact CG1-SD 3.85Å; I210-V247 HydrophobicContact CD1-CG1 4.41Å; I210-V247 HydrophobicContact CG1-CG1 4.14Å; I210-V248 HydrophobicContact CD1-CB 4.21Å; I210-V248 HydrophobicContact CD1-CG2 3.79Å; I210-F251 HydrophobicContact CB-CB 3.99Å; I210-F251 HydrophobicContact CB-CD2 3.61Å; I210-F251 HydrophobicContact CB-CE2 4.2Å; I210-F251 HydrophobicContact CB-CG 3.81Å; I210-F251 HydrophobicContact CD1-CB 4.03Å; I210-F251 HydrophobicContact CD1-CG 4.27Å; I210-F251 HydrophobicContact CG2-CD1 4.21Å; I210-F251 HydrophobicContact CG2-CD2 3.47Å; I210-F251 VanDerWaalsContact CG2-CD2 3.47Å; I210-F251 HydrophobicContact CG2-CE1 4.3Å; I210-F251 HydrophobicContact CG2-CE2 3.54Å; I210-F251 HydrophobicContact CG2-CG 3.81Å; I210-F251 HydrophobicContact CG2-CZ 3.98Å; I210-F251 VanDerWaalsContact O-CD2 3.31Å; I210-F251 WeakPolarHBondContact O-CD2 3.37Å
211I94.1Very high88.2Confident83 Ų8365.7 Ų65.743%0.42640%0.399SS..EExtended strand (participates in β ladder)trans-77.7-42.3-179.9-60171.9000109.9L223 K225 A232 R255I211-L223 HydrophobicContact CB-CB 4.46Å; I211-L223 HydrophobicContact CB-CD2 4.14Å; I211-L223 HydrophobicContact CB-CG 4.26Å; I211-L223 HydrophobicContact CD1-CD2 4.41Å; I211-L223 HydrophobicContact CD1-CG 4.38Å; I211-L223 HydrophobicContact CG2-CD2 4.16Å; I211-L223 PolarHBondContact N-O 3.29Å; I211-K225 HydrophobicContact CD1-CB 3.99Å; I211-K225 HydrophobicContact CG1-CB 4.05Å; I211-A232 HydrophobicContact CD1-CB 3.97Å; I211-R255 PolarHBondContact O-NH2 3.29Å
212G92.8Very high88.5Confident22 Ų2264.3 Ų64.323%0.22739%0.393CS..EExtended strand (participates in β ladder)trans-161.4171.9-176.800000112.2I210 F222 L223I210-G212 VanDerWaalsContact CG2-O 3.23Å; I210-G212 WeakPolarHBondContact CG2-O 3.24Å; G212-F222 WeakPolarHBondContact O-CA 3.47Å; G212-L223 PolarHBondContact O-N 3.39Å
213A94.2Very high89Confident52 Ų5264 Ų6443%0.4338%0.383SS..EExtended strand (participates in β ladder)trans-129.4144.7174.600000109.3L220 M221 F222 F251A213-L220 HydrophobicContact CB-CD1 3.97Å; A213-M221 CarbonylContact C-O 3.3Å; A213-M221 VanDerWaalsContact CA-O 3.28Å; A213-M221 WeakPolarHBondContact CA-O 3.31Å; A213-F222 HydrophobicContact CB-CD1 3.78Å; A213-F222 HydrophobicContact CB-CE1 3.97Å; A213-F251 HydrophobicContact CB-CE1 3.98Å; A213-F251 HydrophobicContact CB-CZ 3.86Å
214T91.5Very high89.5Confident47 Ų4761 Ų6129%0.28837%0.371SS..EExtended strand (participates in β ladder)trans-135.9146.1175.2-178.50000109.5S216 M221 L234T214-S216 PolarHBondContact OG1-N 3.27Å; T214-S216 PolarHBondContact OG1-OG 3.28Å; T214-M221 HydrophobicContact CG2-CB 3.95Å; T214-M221 PolarHBondContact N-O 2.9Å; T214-M221 PolarHBondContact O-N 3.46Å; T214-L234 HydrophobicContact CG2-CD2 4.23Å
215D90.4Very high89.8Confident122 Ų12261.3 Ų61.365%0.65235%0.353SS*.  trans-113.717.3175.365.5-16.6000112.1T217 G218D215-T217 PolarHBondContact O-N 3.33Å; D215-G218 PolarHBondContact O-N 3.09Å
216S63.3Low90.1Very high93 Ų9359 Ų5965%0.6534%0.341SS*.THydrogen-bonded Turntrans-59-16.3-171.161.50000115.8T214T214-S216 PolarHBondContact OG1-N 3.27Å; T214-S216 PolarHBondContact OG1-OG 3.28Å
217T73.8Confident90.1Very high100 Ų10058.6 Ų58.661%0.61334%0.335SS*.THydrogen-bonded Turntrans-105.67.3176.157.40000113.3D215 E219D215-T217 PolarHBondContact O-N 3.33Å; T217-E219 PolarHBondContact O-N 2.78Å
218G84.1Confident89.6Confident81 Ų8165.4 Ų65.484%0.83537%0.37SS*.SBendtrans74.51.1-169.600000113.6D215D215-G218 PolarHBondContact O-N 3.09Å
219E87Confident89.2Confident71 Ų7162 Ų6233%0.33236%0.356SS..SBendtrans-119.2136.6170.6-178.4161.8-142.300109.1T217 M221 K238T217-E219 PolarHBondContact O-N 2.78Å; E219-M221 PolarHBondContact O-N 3.37Å; E219-K238 WeakPolarHBondContact OE1-CD 3.24Å; E219-K238 VanDerWaalsContact OE1-CE 3.31Å; E219-K238 WeakPolarHBondContact OE1-CE 3.25Å; E219-K238 IonicContact OE1-NZ 3.15Å; E219-K238 PolarHBondContact OE1-NZ 3.14Å
220L89.8Confident88.6Confident62 Ų6263.9 Ų63.933%0.32538%0.375SS..  trans-68.5119.4177.3-176.368000110A213 F222 A237 Y252A213-L220 HydrophobicContact CB-CD1 3.97Å; L220-F222 HydrophobicContact CD2-CE1 4.12Å; L220-F222 HydrophobicContact CD2-CZ 4.05Å; L220-F222 HydrophobicContact CG-CE1 4.37Å; L220-A237 HydrophobicContact CB-CB 3.86Å; L220-A237 HydrophobicContact CD2-CB 3.63Å; L220-A237 HydrophobicContact CG-CB 3.72Å; L220-A237 WeakPolarHBondContact O-CB 3.47Å; L220-A237 PolarHBondContact O-N 2.79Å; L220-Y252 WeakPolarHBondContact CD2-OH 3.37Å
221M92.9Very high87.9Confident32 Ų3267.9 Ų67.916%0.15839%0.394CS..EExtended strand (participates in β ladder)trans-117.2135.5177.6-59.2-69.6-72.300109.4A213 T214 E219 L234 V235 P236A213-M221 CarbonylContact C-O 3.3Å; A213-M221 VanDerWaalsContact CA-O 3.28Å; A213-M221 WeakPolarHBondContact CA-O 3.31Å; T214-M221 HydrophobicContact CG2-CB 3.95Å; T214-M221 PolarHBondContact N-O 2.9Å; T214-M221 PolarHBondContact O-N 3.46Å; E219-M221 PolarHBondContact O-N 3.37Å; M221-L234 HydrophobicContact CB-CD2 4.42Å; M221-L234 HydrophobicContact CE-CB 4.02Å; M221-V235 CarbonylContact C-O 3.54Å; M221-V235 WeakPolarHBondContact CA-O 3.43Å; M221-P236 HydrophobicContact CE-CG 4.05Å; M221-P236 VanDerWaalsContact SD-CA 3.56Å; M221-P236 HydrophobicContact SD-CB 4.03Å; M221-P236 HydrophobicContact SD-CG 3.95Å
222F94.1Very high87.7Confident0 Ų065.6 Ų65.60%039%0.387CS..EExtended strand (participates in β ladder)trans-98.5134.7173.3-66-47.5000110.6I210 G212 A213 L220 M224 L234 V235 A237 A240 V248 F251 Y252I210-F222 HydrophobicContact CD1-CB 4.26Å; I210-F222 HydrophobicContact CD1-CD1 4.09Å; I210-F222 HydrophobicContact CD1-CD2 3.81Å; I210-F222 HydrophobicContact CD1-CE1 4.38Å; I210-F222 HydrophobicContact CD1-CE2 4.11Å; I210-F222 HydrophobicContact CD1-CG 3.8Å; I210-F222 HydrophobicContact CD1-CZ 4.38Å; I210-F222 HydrophobicContact CG1-CB 4.16Å; I210-F222 HydrophobicContact CG1-CG 4.24Å; I210-F222 HydrophobicContact CG2-CB 3.83Å; I210-F222 HydrophobicContact CG2-CD1 3.75Å; I210-F222 HydrophobicContact CG2-CG 3.98Å; G212-F222 WeakPolarHBondContact O-CA 3.47Å; A213-F222 HydrophobicContact CB-CD1 3.78Å; A213-F222 HydrophobicContact CB-CE1 3.97Å; L220-F222 HydrophobicContact CD2-CE1 4.12Å; L220-F222 HydrophobicContact CD2-CZ 4.05Å; L220-F222 HydrophobicContact CG-CE1 4.37Å; F222-M224 PolarHBondContact O-N 2.81Å; F222-L234 CarbonylContact O-C 3.57Å; F222-L234 WeakPolarHBondContact O-CA 3.32Å; F222-V235 PolarHBondContact N-O 2.82Å; F222-V235 PolarHBondContact O-N 3.24Å; F222-A237 HydrophobicContact CD2-CB 3.94Å; F222-A237 HydrophobicContact CE2-CB 3.47Å; F222-A237 VanDerWaalsContact CE2-CB 3.47Å; F222-A237 HydrophobicContact CZ-CB 3.84Å; F222-A240 HydrophobicContact CD2-CB 3.65Å; F222-A240 HydrophobicContact CE2-CB 4.04Å; F222-V248 HydrophobicContact CD2-CG2 4.42Å; F222-V248 HydrophobicContact CE2-CG1 3.85Å; F222-V248 HydrophobicContact CE2-CG2 3.9Å; F222-V248 HydrophobicContact CZ-CG1 3.82Å; F222-F251 HydrophobicContact CD1-CE1 4.38Å; F222-F251 HydrophobicContact CE1-CD1 4.17Å; F222-F251 HydrophobicContact CE1-CE1 4Å; F222-Y252 AromaticContact CZ-CE2 3.99Å; F222-Y252 HydrophobicContact CZ-CE2 3.99Å; F222-Y252 AromaticContact CZ-CZ 3.98Å
223L93.4Very high87.6Confident58 Ų5864.5 Ų64.530%0.30438%0.376SS..EExtended strand (participates in β ladder)trans-82.5102.9164.7-175.763.8000108.3I211 G212 A232 L234I211-L223 HydrophobicContact CB-CB 4.46Å; I211-L223 HydrophobicContact CB-CD2 4.14Å; I211-L223 HydrophobicContact CB-CG 4.26Å; I211-L223 HydrophobicContact CD1-CD2 4.41Å; I211-L223 HydrophobicContact CD1-CG 4.38Å; I211-L223 HydrophobicContact CG2-CD2 4.16Å; I211-L223 PolarHBondContact N-O 3.29Å; G212-L223 PolarHBondContact O-N 3.39Å; L223-A232 HydrophobicContact CD1-CB 3.7Å; L223-A232 HydrophobicContact CG-CB 4.05Å; L223-L234 HydrophobicContact CB-CD2 4.27Å; L223-L234 HydrophobicContact CD1-CD2 4.2Å
224M93.4Very high87.4Confident0 Ų065.5 Ų65.50%037%0.374CS..EExtended strand (participates in β ladder)trans-93130.1-174.1-170.568.273.800111.2F201 P207 I210 F222 W226 A232 D233 V235 A240 V247F201-M224 HydrophobicContact CZ-CE 4.33Å; P207-M224 HydrophobicContact CB-CE 4.19Å; P207-M224 HydrophobicContact CB-CG 4.22Å; P207-M224 HydrophobicContact CB-SD 3.63Å; I210-M224 HydrophobicContact CD1-CE 4.36Å; I210-M224 HydrophobicContact CG1-CE 3.81Å; I210-M224 HydrophobicContact CG1-SD 3.85Å; F222-M224 PolarHBondContact O-N 2.81Å; M224-W226 HydrophobicContact CB-CH2 4.43Å; M224-W226 HydrophobicContact CB-CZ2 3.8Å; M224-W226 HydrophobicContact CG-CD2 4.13Å; M224-W226 HydrophobicContact CG-CE3 4.3Å; M224-W226 HydrophobicContact CG-CH2 3.79Å; M224-W226 HydrophobicContact CG-CZ2 3.56Å; M224-W226 HydrophobicContact CG-CZ3 4.17Å; M224-A232 VanDerWaalsContact O-CA 3.25Å; M224-A232 WeakPolarHBondContact O-CA 3.17Å; M224-D233 PolarHBondContact N-O 2.83Å; M224-D233 PolarHBondContact O-N 3.34Å; M224-V235 HydrophobicContact CB-CG2 3.83Å; M224-A240 HydrophobicContact CE-CB 4.24Å; M224-V247 HydrophobicContact SD-CG1 4.38Å
225K91.8Very high87.5Confident75 Ų7563.3 Ų63.333%0.32636%0.361SS..EExtended strand (participates in β ladder)trans-90.2132.2164.2-172.3173-173.4-85.10109.3E208 R209 I211E208-K225 HydrophobicContact CB-CG 4.39Å; E208-K225 WeakPolarHBondContact CB-O 3.38Å; E208-K225 PolarHBondContact N-O 3.39Å; E208-K225 IonicContact OE1-NZ 3.81Å; E208-K225 PolarHBondContact OE1-NZ 2.97Å; E208-K225 IonicContact OE2-NZ 2.75Å; E208-K225 PolarHBondContact OE2-NZ 3.09Å; R209-K225 PolarHBondContact N-O 3.07Å; R209-K225 WeakPolarHBondContact O-CB 3.47Å; R209-K225 PolarHBondContact O-N 2.83Å; I211-K225 HydrophobicContact CD1-CB 3.99Å; I211-K225 HydrophobicContact CG1-CB 4.05Å
226W95.1Very high87.7Confident0 Ų059.4 Ų59.40%034%0.342CS..EExtended strand (participates in β ladder)trans-101.4150.4179.1-56102.5000111.4G200 F201 L205 P207 M224 D233 V235G200-W226 VanDerWaalsContact C-CH2 3.5Å; F201-W226 HydrophobicContact CB-CH2 4.42Å; F201-W226 AromaticContact CD1-CH2 3.51Å; F201-W226 HydrophobicContact CD1-CH2 3.51Å; F201-W226 AromaticContact CD1-CZ3 3.6Å; F201-W226 HydrophobicContact CD1-CZ3 3.6Å; F201-W226 HydrophobicContact CD2-CH2 4.16Å; F201-W226 AromaticContact CE1-CH2 3.71Å; F201-W226 HydrophobicContact CE1-CH2 3.71Å; F201-W226 AromaticContact CE1-CZ3 3.78Å; F201-W226 HydrophobicContact CE1-CZ3 3.78Å; F201-W226 HydrophobicContact CE2-CH2 4.4Å; F201-W226 AromaticContact CG-CH2 3.75Å; F201-W226 HydrophobicContact CG-CH2 3.75Å; F201-W226 HydrophobicContact CG-CZ3 4.27Å; F201-W226 HydrophobicContact CZ-CH2 4.16Å; L205-W226 HydrophobicContact CB-CB 3.83Å; L205-W226 HydrophobicContact CB-CD2 4.09Å; L205-W226 HydrophobicContact CB-CE3 3.82Å; L205-W226 HydrophobicContact CB-CG 4.09Å; L205-W226 HydrophobicContact CD1-CB 3.68Å; L205-W226 HydrophobicContact CD1-CG 3.98Å; L205-W226 HydrophobicContact CG-CB 4.41Å; L205-W226 VanDerWaalsContact O-CE3 3.26Å; L205-W226 WeakPolarHBondContact O-CZ3 3.14Å; P207-W226 HydrophobicContact CB-CE3 4.37Å; P207-W226 HydrophobicContact CB-CZ3 4.12Å; M224-W226 HydrophobicContact CB-CH2 4.43Å; M224-W226 HydrophobicContact CB-CZ2 3.8Å; M224-W226 HydrophobicContact CG-CD2 4.13Å; M224-W226 HydrophobicContact CG-CE3 4.3Å; M224-W226 HydrophobicContact CG-CH2 3.79Å; M224-W226 HydrophobicContact CG-CZ2 3.56Å; M224-W226 HydrophobicContact CG-CZ3 4.17Å; W226-D233 HydrophobicContact CZ2-CB 4.33Å; W226-D233 PolarHBondContact NE1-OD2 3.17Å; W226-V235 HydrophobicContact CH2-CG2 4.19Å; W226-V235 HydrophobicContact CZ2-CG2 3.71Å
227K90.9Very high89.1Confident91 Ų9155.2 Ų55.240%0.39631%0.313SS..THydrogen-bonded Turntrans-67.7141.2170.9-64.1-173.4-169.2165.60109.4D206 E208 S229D206-K227 HydrophobicContact CB-CB 4.28Å; D206-K227 HydrophobicContact CB-CD 3.77Å; D206-K227 HydrophobicContact CB-CG 4.12Å; D206-K227 PolarHBondContact O-N 3.35Å; D206-K227 IonicContact OD2-NZ 3.57Å; E208-K227 HydrophobicContact CB-CG 3.85Å; E208-K227 HydrophobicContact CG-CG 4.23Å; K227-S229 PolarHBondContact O-N 3.25Å; K227-S229 VanDerWaalsContact O-N 3.13Å
228N84.4Confident90.1Very high168 Ų16857.4 Ų57.490%0.89831%0.314SS*.THydrogen-bonded Turntrans60.918178.2-53.983.7000114.2
229S85.4Confident90.6Very high19 Ų1956.9 Ų56.913%0.13329%0.29CS..  trans-139.4139.1171.7178.80000109.9R203 K227 E231R203-S229 PolarHBondContact NH2-OG 2.87Å; R203-S229 VanDerWaalsContact NH2-OG 3.13Å; K227-S229 PolarHBondContact O-N 3.25Å; K227-S229 VanDerWaalsContact O-N 3.13Å; S229-E231 PolarHBondContact OG-N 3.46Å
230D82.6Confident90.9Very high164 Ų16453.5 Ų53.588%0.87727%0.274SS*.  trans-87.6-12.9173.254.3-19.9000112.7
231E81.5Confident91.2Very high85 Ų8554.4 Ų54.440%0.39728%0.279SS..  trans-80.4128.5179-173.1-177.5178.500110.7R203 S229R203-E231 IonicContact CZ-OE2 3.21Å; R203-E231 IonicContact NH1-OE2 3.29Å; R203-E231 PolarHBondContact NH1-OE2 3.29Å; R203-E231 IonicContact NH2-OE2 2.7Å; R203-E231 PolarHBondContact NH2-OE2 3.47Å; S229-E231 PolarHBondContact OG-N 3.46Å
232A89Confident91.3Very high35 Ų3558.6 Ų58.629%0.28931%0.306SS..EExtended strand (participates in β ladder)trans-103.3136.4178.400000111.4I211 L223 M224I211-A232 HydrophobicContact CD1-CB 3.97Å; L223-A232 HydrophobicContact CD1-CB 3.7Å; L223-A232 HydrophobicContact CG-CB 4.05Å; M224-A232 VanDerWaalsContact O-CA 3.25Å; M224-A232 WeakPolarHBondContact O-CA 3.17Å
233D90Very high91.3Very high0 Ų064.2 Ų64.20%033%0.331CS..EExtended strand (participates in β ladder)trans-116.3144.8-176.6-71.8-50.6000113R199 G200 R203 M224 W226 V235R199-D233 WeakPolarHBondContact CG-OD1 3.3Å; R199-D233 IonicContact CZ-OD1 2.73Å; R199-D233 IonicContact NE-OD1 3.63Å; R199-D233 PolarHBondContact NE-OD1 3.36Å; R199-D233 IonicContact NH2-OD1 2.97Å; G200-D233 VanDerWaalsContact N-CG 3.31Å; G200-D233 PolarHBondContact N-OD2 3.03Å; R203-D233 VanDerWaalsContact CD-OD2 3.24Å; R203-D233 WeakPolarHBondContact CD-OD2 3.48Å; R203-D233 IonicContact CZ-OD2 2.7Å; R203-D233 IonicContact NH1-OD2 3.99Å; R203-D233 PolarHBondContact NH1-OD2 3.28Å; M224-D233 PolarHBondContact N-O 2.83Å; M224-D233 PolarHBondContact O-N 3.34Å; W226-D233 HydrophobicContact CZ2-CB 4.33Å; W226-D233 PolarHBondContact NE1-OD2 3.17Å; D233-V235 HydrophobicContact CB-CG2 4.49Å
234L91.1Very high91.3Very high73 Ų7362 Ų6238%0.38232%0.32SS..EExtended strand (participates in β ladder)trans-79121.4168.4-72.3176.9000109.8R199 T214 M221 F222 L223R199-L234 VanDerWaalsContact NH2-N 3.17Å; T214-L234 HydrophobicContact CG2-CD2 4.23Å; M221-L234 HydrophobicContact CB-CD2 4.42Å; M221-L234 HydrophobicContact CE-CB 4.02Å; F222-L234 CarbonylContact O-C 3.57Å; F222-L234 WeakPolarHBondContact O-CA 3.32Å; L223-L234 HydrophobicContact CB-CD2 4.27Å; L223-L234 HydrophobicContact CD1-CD2 4.2Å
235V93.6Very high91.4Very high1 Ų164.5 Ų64.51%0.00634%0.336CS..EExtended strand (participates in β ladder)trans-123.5129.1-176.1175.80000109.1F201 M221 F222 M224 W226 D233 A237 A240F201-V235 HydrophobicContact CD2-CG1 3.73Å; F201-V235 HydrophobicContact CE2-CG1 3.27Å; F201-V235 HydrophobicContact CZ-CG1 4.23Å; M221-V235 CarbonylContact C-O 3.54Å; M221-V235 WeakPolarHBondContact CA-O 3.43Å; F222-V235 PolarHBondContact N-O 2.82Å; F222-V235 PolarHBondContact O-N 3.24Å; M224-V235 HydrophobicContact CB-CG2 3.83Å; W226-V235 HydrophobicContact CH2-CG2 4.19Å; W226-V235 HydrophobicContact CZ2-CG2 3.71Å; D233-V235 HydrophobicContact CB-CG2 4.49Å; V235-A237 PolarHBondContact O-N 3.06Å; V235-A240 HydrophobicContact CG1-CB 4.1Å
236P94Very high91.6Very high39 Ų3967.4 Ų67.425%0.25335%0.351SS..EExtended strand (participates in β ladder)trans-57.8133.1174.2-23.133.2000111.7M221 K238 E239 A240M221-P236 HydrophobicContact CE-CG 4.05Å; M221-P236 VanDerWaalsContact SD-CA 3.56Å; M221-P236 HydrophobicContact SD-CB 4.03Å; M221-P236 HydrophobicContact SD-CG 3.95Å; P236-K238 PolarHBondContact O-N 3.47Å; P236-E239 HydrophobicContact CB-CB 4.41Å; P236-E239 WeakPolarHBondContact O-CB 3.22Å; P236-E239 PolarHBondContact O-N 3.48Å; P236-A240 PolarHBondContact O-N 2.79Å; P236-A240 VanDerWaalsContact O-N 3.11Å
237A94.2Very high91.7Very high6 Ų668.9 Ų68.95%0.0536%0.36CS..Hα-helixtrans-57.8-36.8-179.700000112L220 F222 V235 E239 A240 N241L220-A237 HydrophobicContact CB-CB 3.86Å; L220-A237 HydrophobicContact CD2-CB 3.63Å; L220-A237 HydrophobicContact CG-CB 3.72Å; L220-A237 WeakPolarHBondContact O-CB 3.47Å; L220-A237 PolarHBondContact O-N 2.79Å; F222-A237 HydrophobicContact CD2-CB 3.94Å; F222-A237 HydrophobicContact CE2-CB 3.47Å; F222-A237 VanDerWaalsContact CE2-CB 3.47Å; F222-A237 HydrophobicContact CZ-CB 3.84Å; V235-A237 PolarHBondContact O-N 3.06Å; A237-E239 PolarHBondContact O-N 3.5Å; A237-A240 PolarHBondContact O-N 3.28Å; A237-N241 WeakPolarHBondContact O-CB 3.49Å; A237-N241 PolarHBondContact O-N 3.49Å; A237-N241 PolarHBondContact O-ND2 2.88Å; A237-N241 PolarHBondContact O-OD1 3.49Å; A237-N241 VanDerWaalsContact O-OD1 3.08Å
238K94Very high91.9Very high146 Ų14664.8 Ų64.864%0.63534%0.342SS*.Hα-helixtrans-55.6-38.9175.1-66.3176.5-173.5146.60112.6E219 P236E219-K238 WeakPolarHBondContact OE1-CD 3.24Å; E219-K238 VanDerWaalsContact OE1-CE 3.31Å; E219-K238 WeakPolarHBondContact OE1-CE 3.25Å; E219-K238 IonicContact OE1-NZ 3.15Å; E219-K238 PolarHBondContact OE1-NZ 3.14Å; P236-K238 PolarHBondContact O-N 3.47Å
239E93.4Very high92.4Very high70 Ų7060.2 Ų60.233%0.32732%0.317SS..Hα-helixtrans-75.9-45179.5-171.1-179.9175.700111.3F201 P236 A237 N241 V242 K243F201-E239 VanDerWaalsContact CD2-CD 3.48Å; F201-E239 HydrophobicContact CD2-CG 3.76Å; F201-E239 VanDerWaalsContact CD2-OE1 3.24Å; F201-E239 WeakPolarHBondContact CD2-OE1 3.35Å; F201-E239 HydrophobicContact CE2-CB 4.46Å; F201-E239 HydrophobicContact CE2-CG 3.9Å; P236-E239 HydrophobicContact CB-CB 4.41Å; P236-E239 WeakPolarHBondContact O-CB 3.22Å; P236-E239 PolarHBondContact O-N 3.48Å; A237-E239 PolarHBondContact O-N 3.5Å; E239-N241 VanDerWaalsContact C-N 3.32Å; E239-N241 PolarHBondContact O-N 2.76Å; E239-V242 PolarHBondContact O-N 3.03Å; E239-V242 VanDerWaalsContact O-N 3.17Å; E239-K243 HydrophobicContact CG-CD 3.93Å; E239-K243 HydrophobicContact CG-CG 4.45Å; E239-K243 PolarHBondContact O-N 2.98Å; E239-K243 WeakPolarHBondContact OE1-CE 3.24Å; E239-K243 IonicContact OE1-NZ 2.84Å; E239-K243 PolarHBondContact OE1-NZ 3.49Å
240A95.3Very high92.8Very high0 Ų061.8 Ų61.80%033%0.329CS..Hα-helixtrans-62.6-37.4178.600000112.7F201 F222 M224 V235 P236 A237 V242 K243 C244 V248F201-A240 HydrophobicContact CE2-CB 4.39Å; F201-A240 HydrophobicContact CZ-CB 4.42Å; F222-A240 HydrophobicContact CD2-CB 3.65Å; F222-A240 HydrophobicContact CE2-CB 4.04Å; M224-A240 HydrophobicContact CE-CB 4.24Å; V235-A240 HydrophobicContact CG1-CB 4.1Å; P236-A240 PolarHBondContact O-N 2.79Å; P236-A240 VanDerWaalsContact O-N 3.11Å; A237-A240 PolarHBondContact O-N 3.28Å; A240-V242 PolarHBondContact O-N 2.99Å; A240-K243 PolarHBondContact O-N 2.91Å; A240-C244 CarbonylContact O-C 3.58Å; A240-C244 VanDerWaalsContact O-C 3.3Å; A240-C244 PolarHBondContact O-N 3.28Å; A240-C244 PolarHBondContact O-SG 3.31Å; A240-V248 HydrophobicContact CB-CG2 3.78Å
241N95.4Very high93.3Very high80 Ų8054.5 Ų54.543%0.42829%0.289SS..Hα-helixtrans-59.8-30.3177-68.4-8000112.5A237 E239 P245 V248A237-N241 WeakPolarHBondContact O-CB 3.49Å; A237-N241 PolarHBondContact O-N 3.49Å; A237-N241 PolarHBondContact O-ND2 2.88Å; A237-N241 PolarHBondContact O-OD1 3.49Å; A237-N241 VanDerWaalsContact O-OD1 3.08Å; E239-N241 VanDerWaalsContact C-N 3.32Å; E239-N241 PolarHBondContact O-N 2.76Å; N241-P245 WeakPolarHBondContact O-CB 3.37Å; N241-V248 WeakPolarHBondContact OD1-CG1 3.41Å
242V95.6Very high93.9Very high121 Ų12155 Ų5573%0.73329%0.288SS*.Hα-helixtrans-89.3-44.8179.1178.70000111E239 A240E239-V242 PolarHBondContact O-N 3.03Å; E239-V242 VanDerWaalsContact O-N 3.17Å; A240-V242 PolarHBondContact O-N 2.99Å
243K93.2Very high94Very high117 Ų11759.8 Ų59.851%0.50930%0.304SS..Hα-helixtrans-80.5-37.3-172.4-71.2-173.4176.7177.80113.8F201 E239 A240F201-K243 HydrophobicContact CB-CD 3.82Å; F201-K243 HydrophobicContact CD1-CB 4.2Å; F201-K243 HydrophobicContact CD1-CD 3.61Å; F201-K243 HydrophobicContact CD2-CD 3.56Å; F201-K243 HydrophobicContact CE1-CB 3.71Å; F201-K243 HydrophobicContact CE1-CD 3.97Å; F201-K243 HydrophobicContact CE2-CB 4.11Å; F201-K243 HydrophobicContact CE2-CD 3.84Å; F201-K243 HydrophobicContact CE2-CG 4.48Å; F201-K243 HydrophobicContact CG-CD 3.39Å; F201-K243 HydrophobicContact CZ-CB 3.66Å; F201-K243 HydrophobicContact CZ-CD 4.07Å; F201-K243 HydrophobicContact CZ-CG 4.46Å; E239-K243 HydrophobicContact CG-CD 3.93Å; E239-K243 HydrophobicContact CG-CG 4.45Å; E239-K243 PolarHBondContact O-N 2.98Å; E239-K243 WeakPolarHBondContact OE1-CE 3.24Å; E239-K243 IonicContact OE1-NZ 2.84Å; E239-K243 PolarHBondContact OE1-NZ 3.49Å; A240-K243 PolarHBondContact O-N 2.91Å
244C93.8Very high93.9Very high11 Ų1165.1 Ų65.17%0.07433%0.329CS..  trans-142.360.3-177.262.90000112.5P207 A240 Q246 V247 V248P207-C244 HydrophobicContact CB-CB 4.26Å; P207-C244 HydrophobicContact CG-CB 3.43Å; P207-C244 VanDerWaalsContact CG-CB 3.43Å; A240-C244 CarbonylContact O-C 3.58Å; A240-C244 VanDerWaalsContact O-C 3.3Å; A240-C244 PolarHBondContact O-N 3.28Å; A240-C244 PolarHBondContact O-SG 3.31Å; C244-Q246 PolarHBondContact O-N 2.94Å; C244-V247 HydrophobicContact CB-CB 4.29Å; C244-V247 HydrophobicContact CB-CG2 4.15Å; C244-V247 PolarHBondContact O-N 3.44Å; C244-V247 VanDerWaalsContact O-N 3.11Å; C244-V248 PolarHBondContact O-N 3.15Å
245P95.4Very high93.6Very high54 Ų5467.3 Ų67.335%0.35133%0.332SS..Hα-helixtrans-56.7-37.1-175.820.3-32.4000113.1N241 V247 V248 I249N241-P245 WeakPolarHBondContact O-CB 3.37Å; P245-V247 VanDerWaalsContact C-N 3.34Å; P245-V247 PolarHBondContact O-N 3.2Å; P245-V248 PolarHBondContact O-N 2.64Å; P245-I249 WeakPolarHBondContact O-CB 3.34Å; P245-I249 WeakPolarHBondContact O-CD1 3.32Å; P245-I249 WeakPolarHBondContact O-CG1 3.44Å; P245-I249 PolarHBondContact O-N 2.7Å
246Q96.6Very high93.3Very high136 Ų13672.3 Ų72.364%0.63636%0.358SS*.Hα-helixtrans-62.5-40.7-179.7-60.2-56.8-37.800112.2C244 V248 I249 S250C244-Q246 PolarHBondContact O-N 2.94Å; Q246-V248 VanDerWaalsContact C-N 3.32Å; Q246-V248 PolarHBondContact O-N 2.66Å; Q246-I249 PolarHBondContact O-N 2.82Å; Q246-S250 PolarHBondContact O-N 2.82Å; Q246-S250 PolarHBondContact O-OG 3.02Å; Q246-S250 VanDerWaalsContact O-OG 3.06Å
247V96.1Very high92.5Very high30 Ų3075.4 Ų75.418%0.18238%0.377CS..Hα-helixtrans-66-38.9177.5-179.20000110.8P207 I210 M224 C244 P245 F251P207-V247 HydrophobicContact CB-CG2 4.48Å; P207-V247 HydrophobicContact CG-CG2 4.45Å; I210-V247 HydrophobicContact CD1-CG1 4.41Å; I210-V247 HydrophobicContact CG1-CG1 4.14Å; M224-V247 HydrophobicContact SD-CG1 4.38Å; C244-V247 HydrophobicContact CB-CB 4.29Å; C244-V247 HydrophobicContact CB-CG2 4.15Å; C244-V247 PolarHBondContact O-N 3.44Å; C244-V247 VanDerWaalsContact O-N 3.11Å; P245-V247 VanDerWaalsContact C-N 3.34Å; P245-V247 PolarHBondContact O-N 3.2Å; V247-F251 PolarHBondContact O-N 3.05Å; V247-F251 VanDerWaalsContact O-N 3.14Å
248V95.8Very high91.7Very high5 Ų585.8 Ų85.83%0.0342%0.415CS..Hα-helixtrans-66.2-46176.7179.10000111.5I210 F222 A240 N241 C244 P245 Q246 F251 Y252I210-V248 HydrophobicContact CD1-CB 4.21Å; I210-V248 HydrophobicContact CD1-CG2 3.79Å; F222-V248 HydrophobicContact CD2-CG2 4.42Å; F222-V248 HydrophobicContact CE2-CG1 3.85Å; F222-V248 HydrophobicContact CE2-CG2 3.9Å; F222-V248 HydrophobicContact CZ-CG1 3.82Å; A240-V248 HydrophobicContact CB-CG2 3.78Å; N241-V248 WeakPolarHBondContact OD1-CG1 3.41Å; C244-V248 PolarHBondContact O-N 3.15Å; P245-V248 PolarHBondContact O-N 2.64Å; Q246-V248 VanDerWaalsContact C-N 3.32Å; Q246-V248 PolarHBondContact O-N 2.66Å; V248-F251 WeakPolarHBondContact O-CB 3.5Å; V248-F251 PolarHBondContact O-N 3.35Å; V248-Y252 HydrophobicContact CG1-CD2 3.76Å; V248-Y252 HydrophobicContact CG1-CE2 3.47Å; V248-Y252 VanDerWaalsContact CG1-CE2 3.47Å; V248-Y252 VanDerWaalsContact O-CD2 3.23Å; V248-Y252 WeakPolarHBondContact O-CD2 3.45Å; V248-Y252 PolarHBondContact O-N 2.75Å
249I95.4Very high90.9Very high72 Ų7286.2 Ų86.237%0.36942%0.419SS..Hα-helixtrans-60.2-50179.4-69.1162.5000109.8P245 Q246 F251 Y252 E253P245-I249 WeakPolarHBondContact O-CB 3.34Å; P245-I249 WeakPolarHBondContact O-CD1 3.32Å; P245-I249 WeakPolarHBondContact O-CG1 3.44Å; P245-I249 PolarHBondContact O-N 2.7Å; Q246-I249 PolarHBondContact O-N 2.82Å; I249-F251 VanDerWaalsContact C-N 3.25Å; I249-F251 PolarHBondContact O-N 3.4Å; I249-Y252 PolarHBondContact O-N 2.66Å; I249-E253 HydrophobicContact CG2-CG 4.08Å; I249-E253 WeakPolarHBondContact CG2-OE1 3.44Å; I249-E253 WeakPolarHBondContact O-CG 3.42Å; I249-E253 PolarHBondContact O-N 3.16Å
250S91.9Very high89.7Confident53 Ų5388.1 Ų88.137%0.37144%0.44SS..Hα-helixtrans-57-38.9177.5-59.80000112.6Q246 Y252 E253 E254Q246-S250 PolarHBondContact O-N 2.82Å; Q246-S250 PolarHBondContact O-OG 3.02Å; Q246-S250 VanDerWaalsContact O-OG 3.06Å; S250-Y252 VanDerWaalsContact C-N 3.35Å; S250-Y252 PolarHBondContact O-N 3.45Å; S250-E253 PolarHBondContact O-N 3.38Å; S250-E254 WeakPolarHBondContact O-CB 3.25Å; S250-E254 VanDerWaalsContact O-CG 3.31Å; S250-E254 WeakPolarHBondContact O-CG 2.81Å; S250-E254 PolarHBondContact O-N 2.7Å
251F94.9Very high88.1Confident10 Ų1098.4 Ų98.44%0.04448%0.48CS..Hα-helixtrans-61.2-41.3176.7169.9-97.2000113.1I210 A213 F222 V247 V248 I249 R255I210-F251 HydrophobicContact CB-CB 3.99Å; I210-F251 HydrophobicContact CB-CD2 3.61Å; I210-F251 HydrophobicContact CB-CE2 4.2Å; I210-F251 HydrophobicContact CB-CG 3.81Å; I210-F251 HydrophobicContact CD1-CB 4.03Å; I210-F251 HydrophobicContact CD1-CG 4.27Å; I210-F251 HydrophobicContact CG2-CD1 4.21Å; I210-F251 HydrophobicContact CG2-CD2 3.47Å; I210-F251 VanDerWaalsContact CG2-CD2 3.47Å; I210-F251 HydrophobicContact CG2-CE1 4.3Å; I210-F251 HydrophobicContact CG2-CE2 3.54Å; I210-F251 HydrophobicContact CG2-CG 3.81Å; I210-F251 HydrophobicContact CG2-CZ 3.98Å; I210-F251 VanDerWaalsContact O-CD2 3.31Å; I210-F251 WeakPolarHBondContact O-CD2 3.37Å; A213-F251 HydrophobicContact CB-CE1 3.98Å; A213-F251 HydrophobicContact CB-CZ 3.86Å; F222-F251 HydrophobicContact CD1-CE1 4.38Å; F222-F251 HydrophobicContact CE1-CD1 4.17Å; F222-F251 HydrophobicContact CE1-CE1 4Å; V247-F251 PolarHBondContact O-N 3.05Å; V247-F251 VanDerWaalsContact O-N 3.14Å; V248-F251 WeakPolarHBondContact O-CB 3.5Å; V248-F251 PolarHBondContact O-N 3.35Å; I249-F251 VanDerWaalsContact C-N 3.25Å; I249-F251 PolarHBondContact O-N 3.4Å; F251-R255 VanDerWaalsContact CE2-NE 3.28Å; F251-R255 VanDerWaalsContact CE2-NH1 3.33Å
252Y93.1Very high86.5Confident96 Ų96100 Ų10038%0.37650%0.495SS..Hα-helixtrans-73.3-42.9177.2-75.4-63.9000112.4L220 F222 V248 I249 S250 E254 R255 L256L220-Y252 WeakPolarHBondContact CD2-OH 3.37Å; F222-Y252 AromaticContact CZ-CE2 3.99Å; F222-Y252 HydrophobicContact CZ-CE2 3.99Å; F222-Y252 AromaticContact CZ-CZ 3.98Å; V248-Y252 HydrophobicContact CG1-CD2 3.76Å; V248-Y252 HydrophobicContact CG1-CE2 3.47Å; V248-Y252 VanDerWaalsContact CG1-CE2 3.47Å; V248-Y252 VanDerWaalsContact O-CD2 3.23Å; V248-Y252 WeakPolarHBondContact O-CD2 3.45Å; V248-Y252 PolarHBondContact O-N 2.75Å; I249-Y252 PolarHBondContact O-N 2.66Å; S250-Y252 VanDerWaalsContact C-N 3.35Å; S250-Y252 PolarHBondContact O-N 3.45Å; Y252-E254 VanDerWaalsContact C-N 3.27Å; Y252-E254 PolarHBondContact O-N 2.84Å; Y252-R255 CarbonylContact O-C 3.6Å; Y252-R255 PolarHBondContact O-N 3.07Å; Y252-L256 WeakPolarHBondContact O-CB 3.43Å; Y252-L256 PolarHBondContact O-N 3.26Å
253E91.1Very high84.6Confident136 Ų136100.4 Ų100.464%0.63650%0.498SS*.Hα-helixtrans-57.5-41.6177.9-72.5177.5161.300111.7I249 S250 R255I249-E253 HydrophobicContact CG2-CG 4.08Å; I249-E253 WeakPolarHBondContact CG2-OE1 3.44Å; I249-E253 WeakPolarHBondContact O-CG 3.42Å; I249-E253 PolarHBondContact O-N 3.16Å; S250-E253 PolarHBondContact O-N 3.38Å; E253-R255 PolarHBondContact O-N 3.24Å
254E87.6Confident82.9Confident111 Ų111103.3 Ų103.352%0.51951%0.513SS..THydrogen-bonded Turntrans-66-21.7176.6-74.1178.5178.600113.6R209 S250 Y252R209-E254 IonicContact CZ-OE1 2.72Å; R209-E254 VanDerWaalsContact NH1-CD 3.27Å; R209-E254 IonicContact NH1-OE1 2.73Å; R209-E254 PolarHBondContact NH1-OE1 3.41Å; R209-E254 IonicContact NH1-OE2 2.64Å; R209-E254 PolarHBondContact NH1-OE2 3.29Å; R209-E254 IonicContact NH2-OE1 2.66Å; S250-E254 WeakPolarHBondContact O-CB 3.25Å; S250-E254 VanDerWaalsContact O-CG 3.31Å; S250-E254 WeakPolarHBondContact O-CG 2.81Å; S250-E254 PolarHBondContact O-N 2.7Å; Y252-E254 VanDerWaalsContact C-N 3.27Å; Y252-E254 PolarHBondContact O-N 2.84Å
255R84.6Confident81.2Confident120 Ų120111.3 Ų111.345%0.45355%0.55SS..THydrogen-bonded Turntrans-111.6-6.1-173.1-74.9173.7170.370.3-2.1114.1I211 F251 Y252 E253 T257I211-R255 PolarHBondContact O-NH2 3.29Å; F251-R255 VanDerWaalsContact CE2-NE 3.28Å; F251-R255 VanDerWaalsContact CE2-NH1 3.33Å; Y252-R255 CarbonylContact O-C 3.6Å; Y252-R255 PolarHBondContact O-N 3.07Å; E253-R255 PolarHBondContact O-N 3.24Å; R255-T257 PolarHBondContact O-N 3.13Å
256L87.2Confident79.1Confident105 Ų105117.3 Ų117.355%0.5557%0.57SS.*  trans-73110.9-176.6-148.872.9000109.9Y252 W258Y252-L256 WeakPolarHBondContact O-CB 3.43Å; Y252-L256 PolarHBondContact O-N 3.26Å; L256-W258 HydrophobicContact CD2-CH2 4.36Å; L256-W258 HydrophobicContact CD2-CZ2 3.59Å
257T77.2Confident77Confident105 Ų105120 Ų12064%0.64458%0.582SS**  trans-107.9120.717549.50000110.1R255 H259R255-T257 PolarHBondContact O-N 3.13Å; T257-H259 PolarHBondContact O-N 3.42Å; T257-H259 PolarHBondContact OG1-CE1 3.19Å
258W78.9Confident75.1Confident224 Ų224125.7 Ų125.785%0.84861%0.612SS**  trans-87.3108.9176-60.294.3000109.1L256 S260L256-W258 HydrophobicContact CD2-CH2 4.36Å; L256-W258 HydrophobicContact CD2-CZ2 3.59Å; W258-S260 PolarHBondContact O-N 3.13Å
259H76.1Confident73.7Confident155 Ų155133.1 Ų133.172%0.71865%0.652SS**  trans-85102.6170.9-63.681.4000108.4T257T257-H259 PolarHBondContact O-N 3.42Å; T257-H259 PolarHBondContact OG1-CE1 3.19Å
260S67.8Low72.2Confident109 Ų109139.4 Ų139.476%0.76268%0.676SS**  trans-77.6117.1163.556.70000108.2W258W258-S260 PolarHBondContact O-N 3.13Å
261Y62.2Low70Confident216 Ų216147.9 Ų147.985%0.84772%0.717SS**  trans-54.7128.7174.2-72.2-90.2000109.8T263Y261-T263 PolarHBondContact O-N 3.35Å; Y261-T263 VanDerWaalsContact O-N 3.11Å
262P62.4Low68.8Low114 Ų114154.8 Ų154.874%0.7475%0.751SS**  trans-64.3115.2166.425.8-28.4000106.8E264P262-E264 PolarHBondContact O-N 2.95Å
263T56.2Low67.5Low130 Ų130157.8 Ų157.880%0.79877%0.771SS**  trans-56.6107.5161.5240000106.7Y261 E265Y261-T263 PolarHBondContact O-N 3.35Å; Y261-T263 VanDerWaalsContact O-N 3.11Å; T263-E265 VanDerWaalsContact C-N 3.32Å; T263-E265 PolarHBondContact O-N 2.93Å
264E57.4Low66.2Low178 Ų178159.1 Ų159.183%0.83278%0.778SS**  trans-58.899.4168.5-67-170.8170.600107.6P262 K266P262-E264 PolarHBondContact O-N 2.95Å; E264-K266 VanDerWaalsContact C-N 3.31Å; E264-K266 PolarHBondContact O-N 3.49Å
265E56.4Low64.9Low179 Ų179161.9 Ų161.984%0.83679%0.794SS**  trans-62.2101.6160-70.3-172.6172.700105.8T263 E267T263-E265 VanDerWaalsContact C-N 3.32Å; T263-E265 PolarHBondContact O-N 2.93Å; E265-E267 PolarHBondContact O-N 3.38Å
266K51.9Low63.7Low179 Ų179164.5 Ų164.578%0.77882%0.815SS**  trans-57.5105.4162.9-76.3-179.4176.1172.90106.7E264 D268E264-K266 VanDerWaalsContact C-N 3.31Å; E264-K266 PolarHBondContact O-N 3.49Å; K266-D268 PolarHBondContact O-N 3.09Å
267E53.5Low62.1Low192 Ų192168.5 Ų168.590%0.89783%0.832SS**  trans-60.496.1157.6-81-174.1147.700106.7E265 D269E265-E267 PolarHBondContact O-N 3.38Å; E267-D269 PolarHBondContact O-N 3.48Å
268D55.7Low61.1Low151 Ų151173 Ų17381%0.80785%0.846SS**  trans-63.5120.9165.3-84.7-46.5000108.4K266 K270K266-D268 PolarHBondContact O-N 3.09Å; D268-K270 PolarHBondContact O-N 3.24Å; D268-K270 VanDerWaalsContact O-N 3.15Å
269D65.4Low59.7Low161 Ų161169.1 Ų169.186%0.86185%0.846SS**  trans-37.2112.7166.8-80.2-57000112.8E267E267-D269 PolarHBondContact O-N 3.48Å
270K64.1Low58.3Low203 Ų203170.3 Ų170.388%0.88386%0.856SS**  trans-166104.5145.9-123.3140.7-178.2160.90112.7D268D268-K270 PolarHBondContact O-N 3.24Å; D268-K270 VanDerWaalsContact O-N 3.15Å
271N46.8Very low57.5Low231 Ų231175.8 Ų175.8100%1.23587%0.865SS**  169.80102.4-179.889000111.7

Retrieved 271 of 271 residues in 538.9 ms (Link to these results)