A0A2K5NG43_CERAT Loading...

YY1 transcription factor

AlphaFold DB , UniProt , Accession A0A2K5NG43, Species CERAT (Cercocebus atys, Sooty mangabey), Gene YY1, Length 414 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
1M24.5Very low26.3Very low201 Ų201135.7 Ų135.799%0.9981%0.806SS**  0141.20-72.3174.6167.600107.4M223M1-M223 HydrophobicContact SD-CE 4.46Å
2A23.8Very low26.6Very low93 Ų93137.9 Ų137.977%0.76981%0.811SS**  trans-82155.2-173.400000111.8G4A2-G4 PolarHBondContact O-N 3.45Å
3S28.2Very low26.7Very low128 Ų128132.5 Ų132.590%0.89580%0.801SS**SBendtrans-61.9122.9179.4560000112
4G32.6Very low26.9Very low68 Ų68131.1 Ų131.170%0.70180%0.801SS**  trans152.64.6168.100000119.5A2A2-G4 PolarHBondContact O-N 3.45Å
5D25.8Very low27.1Very low158 Ų158134.9 Ų134.985%0.84581%0.806SS**PPolyproline II helixtrans-99.1123.2-178.1-67-22000112.5
6T25.7Very low27.3Very low121 Ų121137.6 Ų137.674%0.74281%0.81SS**PPolyproline II helixtrans-88.1122.5175.5-43.80000110.9Y8T6-Y8 HydrophobicContact CG2-CE2 4.42Å
7L25.6Very low27.9Very low140 Ų140136.4 Ų136.473%0.73381%0.807SS**PPolyproline II helixtrans-91.8135.7-177.2-173.874.6000111.5I9L7-I9 HydrophobicContact CD2-CD1 4.09Å; L7-I9 HydrophobicContact CD2-CG1 3.99Å; L7-I9 HydrophobicContact CG-CG1 4.22Å
8Y26.1Very low27.8Very low211 Ų211134.1 Ų134.183%0.82781%0.806SS**  trans-116.6128.4167.1-68.3-90000109.8T6T6-Y8 HydrophobicContact CG2-CE2 4.42Å
9I25.9Very low27.7Very low140 Ų140136.8 Ų136.872%0.71881%0.809SS**  trans-108.2125.2179.6-51.7175.7000108.9L7L7-I9 HydrophobicContact CD2-CD1 4.09Å; L7-I9 HydrophobicContact CD2-CG1 3.99Å; L7-I9 HydrophobicContact CG-CG1 4.22Å
10A25.4Very low27.6Very low99 Ų99137.8 Ų137.882%0.81881%0.809SS**  trans-100.9139.1164.800000109
11T25.6Very low27.4Very low134 Ų134136.6 Ų136.682%0.82280%0.803SS**  trans-110.7105.6178.145.70000110.7
12D29.4Very low27.4Very low162 Ų162135.4 Ų135.487%0.86680%0.795SS**  trans-169.9142.3130.862.4-7.7000113
13G28.1Very low27.6Very low67 Ų67136.5 Ų136.569%0.69179%0.787SS**  trans87.185.5143.700000120.5
14S29.2Very low27.5Very low113 Ų113139.4 Ų139.479%0.7979%0.786SS**  46.5127.8128.1660000119.4
15E29.8Very low27.3Very low189 Ų189145 Ų14588%0.88380%0.795SS**  -168.3154.554.2-73.8-178.8140.700111
16M31.2Very low27.2Very low177 Ų177145.6 Ų145.687%0.87280%0.796SS**  trans-71.5178.7176.9-69.7-139.6-5900113.9
17P36.6Very low27.1Very low117 Ų117149 Ų14976%0.7680%0.803SS**  cis-150.9164.526.741.1-17.4000122
18A26.1Very low27Very low95 Ų95148.6 Ų148.679%0.78581%0.806SS**  trans38.6129.7139.400000125.5
19E26.9Very low27Very low186 Ų186147.8 Ų147.887%0.86981%0.81SS**  -167157.5128-113178.2-177.400113.3
20I25.6Very low27.1Very low157 Ų157147.5 Ų147.581%0.80582%0.815SS**  trans-103.6143.5-161-61.8160.6000112.7
21V22.6Very low27Very low112 Ų112150.7 Ų150.768%0.67982%0.816SS**  trans-152.1149.3152.4-171.10000112.4Q211V21-Q211 PolarHBondContact O-OE1 3.47Å
22E25.5Very low27.1Very low177 Ų177150.2 Ų150.283%0.82782%0.816SS**  trans-71.8165.8-161.8-74172.1126.400121.8
23L26.6Very low27Very low116 Ų116149.3 Ų149.361%0.60782%0.816SS**  trans-73.3159.7-177.1-71.1121.1000117.9K213L23-K213 HydrophobicContact CD2-CD 3.9Å; L23-K213 HydrophobicContact CG-CD 4.46Å
24H28Very low27.2Very low188 Ų188154.5 Ų154.587%0.8782%0.822SS**  trans-142.2144.6145.6-83.778.6000110.8
25E27.6Very low27.1Very low187 Ų187155.8 Ų155.887%0.87483%0.825SS**  trans-86.2158.6-163.7-65169142.500116.1
26I23.5Very low27Very low169 Ų169154.3 Ų154.387%0.86782%0.822SS**  trans-143.6132.1157.5-55.5-178.9000110.7
27E24.1Very low26.8Very low192 Ų192155.4 Ų155.490%0.89783%0.825SS**  trans-80.6159-179-69.4175.8137.900114.7
28V24Very low26.2Very low133 Ų133155.9 Ų155.981%0.80683%0.826SS**  trans-132.2137178.1-177.30000111
29E25.1Very low26.2Very low194 Ų194158.3 Ų158.391%0.90783%0.831SS**  trans-112.7149.8170.8-83.1-169.8148.900112.6
30T27.7Very low26.2Very low134 Ų134156.1 Ų156.182%0.82283%0.83SS**  trans-124.2151-176.453.30000113.4
31I24.1Very low26.2Very low165 Ų165155.5 Ų155.585%0.84683%0.833SS**  trans-134.3144.3177.6-54.7178.5000111.5
32P28.2Very low26.4Very low124 Ų124153.6 Ų153.681%0.80584%0.836SS**  trans-99.1168.3-170.238.3-33.1000116.4
33V26.9Very low26.5Very low143 Ų143154.4 Ų154.487%0.86784%0.84SS**  trans-113.6140.3-171.3-179.40000112.3
34E31.6Very low26.6Very low177 Ų177158 Ų15883%0.82785%0.854SS**  trans-127.4125.8171-72.6-167.1158.700114.6
35T28.2Very low26.8Very low139 Ų139158.4 Ų158.485%0.85386%0.856SS**  trans58.9131.9143.455.90000124.4
36I26.7Very low27.1Very low159 Ų159158.4 Ų158.482%0.81586%0.856SS**  trans-107.8145.1178.5-61.1164.6000109.9
37E26.6Very low27.4Very low199 Ų199159.7 Ų159.793%0.9386%0.858SS**  trans-125.5150160.6-76.4-166.9156.500111.6
38T25.8Very low27.5Very low127 Ų127158 Ų15878%0.77986%0.855SS**  trans-121.6144.3-170.343.40000112.1
39T24.3Very low28.2Very low146 Ų146160.1 Ų160.190%0.89686%0.856SS**  trans-141.9144.4165.747.90000111.5
40V28.5Very low28.4Very low141 Ų141157.8 Ų157.886%0.85585%0.85SS**  trans-108.3137.9-171.4176.30000110.5
41V24.6Very low28.7Very low144 Ų144154.6 Ų154.687%0.87383%0.828SS**  trans-142.7119.7165.4-172.10000112
42G26.9Very low29.2Very low71 Ų71154.9 Ų154.973%0.73283%0.826SS**  trans59.4116.5130.400000121.8
43E28.4Very low29.5Very low194 Ų194156 Ų15691%0.90783%0.825SS**  trans-73.9139.1170.8-59.9164.915700112.4
44E26.8Very low29.7Very low193 Ų193151.3 Ų151.390%0.90281%0.806SS**  trans-133.9132.5153.8-68.8-169175.600108.9
45E33.3Very low30.3Very low196 Ų196147.4 Ų147.492%0.91681%0.813SS**  trans-81.3130.1-177.8-60.8175.2151.400110
46E33.3Very low30.4Very low186 Ų186144.5 Ų144.587%0.86981%0.81SS**  trans-128.5142.2163.3-71.9-152.917200111
47E30.3Very low30.6Very low196 Ų196139.3 Ų139.392%0.91680%0.796SS**  trans-78120.1-170.6-62.2175.8163.500111.3E49E47-E49 PolarHBondContact O-N 3.36Å
48D27.1Very low30.8Very low156 Ų156135.9 Ų135.983%0.83478%0.784SS**  trans-71.6114.9175.6-64.5-53.6000111.3
49E37.7Very low31.2Very low178 Ų178138.8 Ų138.883%0.83279%0.788SS**  trans-101.5106.7159.1-76.3-169.4171.900109.1E47 D51E47-E49 PolarHBondContact O-N 3.36Å; E49-D51 PolarHBondContact O-N 2.79Å
50D30.2Very low31.7Very low146 Ų146135.6 Ų135.678%0.78178%0.784SS**  trans-50.9114.1175.3-66.9-59.2000111.6E52D50-E52 PolarHBondContact O-N 3.37Å
51D32.3Very low31.8Very low67 Ų67132.9 Ų132.936%0.35879%0.785SS.*  trans-69.680.9164.6-81.2-44000108.5E49 D53 K351E49-D51 PolarHBondContact O-N 2.79Å; D51-D53 PolarHBondContact O-N 2.84Å; D51-K351 WeakPolarHBondContact OD1-CE 3.16Å; D51-K351 IonicContact OD1-NZ 2.79Å; D51-K351 PolarHBondContact OD1-NZ 3.11Å; D51-K351 WeakPolarHBondContact OD2-CE 3.03Å; D51-K351 IonicContact OD2-NZ 3.08Å; D51-K351 PolarHBondContact OD2-NZ 3.42Å
52E34.6Very low31.9Very low170 Ų170129.9 Ų129.979%0.79478%0.784SS**  trans-59.9110.6166.9-76.7-143.8170.900109.4D50 G54D50-E52 PolarHBondContact O-N 3.37Å; E52-G54 PolarHBondContact O-N 3.49Å
53D36.1Very low32Very low149 Ų149130.6 Ų130.680%0.79779%0.791SS**  trans-66.270.6159.1-162.111.1000108.1D51D51-D53 PolarHBondContact O-N 2.84Å
54G29.8Very low31.9Very low44 Ų44125.1 Ų125.145%0.45479%0.786SS.*  trans-148.1109.8-171.100000109.9E52 G56E52-G54 PolarHBondContact O-N 3.49Å; G54-G56 PolarHBondContact O-N 3.1Å
55G43.7Very low32.1Very low95 Ų95125.2 Ų125.298%0.97979%0.786SS**  trans-57.9121174.200000112.1
56G30.9Very low31.9Very low77 Ų77119.1 Ų119.179%0.79478%0.776SS**  trans-175138.5167.900000107.6G54G54-G56 PolarHBondContact O-N 3.1Å
57G31.6Very low31.7Very low50 Ų50119.9 Ų119.952%0.51578%0.779SS.*  cis134.876.328.900000106.3H59G57-H59 PolarHBondContact O-N 3.36Å; G57-H59 PolarHBondContact O-ND1 3.49Å
58D31.4Very low31.8Very low127 Ų127115.3 Ų115.368%0.67978%0.775SS**  trans-58.7108.9175.7-90-79.3000110.5
59H34.2Very low31.9Very low188 Ų188111.2 Ų111.287%0.8777%0.77SS**  trans-86.6114.9165.4-81.946.1000109.4G57G57-H59 PolarHBondContact O-N 3.36Å; G57-H59 PolarHBondContact O-ND1 3.49Å
60G33.3Very low31.4Very low79 Ų79111 Ų11181%0.81477%0.768SS**  trans-131.682.2166.200000110.5
61G30.3Very low31.4Very low85 Ų85112.6 Ų112.688%0.87677%0.771SS**  trans54.3117.5143.900000121.4
62G27.1Very low31.1Very low81 Ų81117.9 Ų117.984%0.83579%0.793SS**  trans17459.116000000117.7
63G28.7Very low30.8Very low86 Ų86118 Ų11889%0.88779%0.793SS**  trans65.2123.7147.400000121.2
64G28Very low30.4Very low78 Ų78119.4 Ų119.480%0.80480%0.795SS**  trans155.7109.215700000115.8
65H29.9Very low30.3Very low196 Ų196125 Ų12591%0.90781%0.808SS**  trans-17.3130.7172.1-62.5-56.7000121.5
66G29.5Very low29.5Very low68 Ų68128.4 Ų128.470%0.70180%0.798SS**  82.7110.1116.800000119.7
67H29.6Very low29.2Very low202 Ų202132.2 Ų132.294%0.93580%0.795SS**  173139.2114.7-103.9-127.8000110.8
68A31.3Very low29.1Very low99 Ų99137.2 Ų137.282%0.81881%0.805SS**  trans-79.6143.5-178.500000112.6
69G28.7Very low28.8Very low71 Ų71139.7 Ų139.773%0.73281%0.812SS**  trans-159.5100.9167.300000110
70H29.1Very low28.6Very low174 Ų174138.5 Ų138.581%0.80681%0.806SS**  trans-73.9123.3174.7-8184.4000110.1
71H28.8Very low28.2Very low179 Ų179139.7 Ų139.783%0.82980%0.8SS**  trans-117.1114.9160.8-90.9-85.1000108.4
72H27.3Very low28Very low177 Ų177141.8 Ų141.882%0.81980%0.798SS**  trans-75.5122.5170-8475000109.2
73H28.2Very low27.9Very low173 Ų173146.6 Ų146.680%0.80180%0.801SS**  trans-96.1125.4162-102.387.4000108.7
74H26.1Very low27.7Very low179 Ų179150 Ų15083%0.82980%0.798SS**  trans-78.5114.4170.8-108.9-77.6000108.8
75H27.7Very low27.5Very low160 Ų160150.7 Ų150.774%0.74180%0.795SS**  trans-81.8125.2165.4-96-97.1000109.7
76H26.9Very low27.2Very low167 Ų167149.2 Ų149.277%0.77379%0.793SS**  trans-87.7110.5164.5-101.1-85.3000108.1H78H76-H78 PolarHBondContact O-N 3.18Å
77H26.5Very low27Very low158 Ų158154.5 Ų154.573%0.73180%0.8SS**  trans-76.1114.5167.9-81.4-84.9000109.4
78H28.4Very low26.9Very low154 Ų154150.7 Ų150.771%0.71379%0.793SS**  trans-93.1109.9159.6-83.8-78.5000108H76 H80H76-H78 PolarHBondContact O-N 3.18Å; H78-H80 PolarHBondContact O-N 3.4Å
79H25.6Very low26.5Very low180 Ų180153.4 Ų153.483%0.83379%0.793SS**  trans-71115.4168-76.3-81.2000109
80H28.9Very low26.6Very low162 Ų162156.1 Ų156.175%0.7580%0.795SS**PPolyproline II helixtrans-92.5146.1162.3-74.8-90.4000109.5H78H78-H80 PolarHBondContact O-N 3.4Å
81P25.3Very low26.6Very low105 Ų105152.9 Ų152.968%0.68279%0.787SS**PPolyproline II helixtrans-69.5156.3175.929.6-33000111.4
82P26.2Very low26.8Very low128 Ų128152.2 Ų152.283%0.83179%0.79SS**PPolyproline II helixtrans-68.8137.9-172.328.7-34000111.7
83M25.1Very low27Very low182 Ų182148.5 Ų148.590%0.89778%0.776SS**PPolyproline II helixtrans-94.7129.9173-69.7-76.5-79.500109.5
84I24Very low27.3Very low159 Ų159146.4 Ų146.482%0.81578%0.778SS**PPolyproline II helixtrans-82118.3175.2-63.6168.9000108.3
85A24.4Very low27.7Very low91 Ų91142.9 Ų142.975%0.75277%0.769SS**PPolyproline II helixtrans-89122.1171.200000110.1
86L24.6Very low27.9Very low165 Ų165142.1 Ų142.186%0.86477%0.766SS**  trans-88.8109.9167.4-69.1170.2000108.2
87Q25.5Very low28Very low180 Ų180140.6 Ų140.684%0.84177%0.768SS**PPolyproline II helixtrans-84.3133.7165.2-67.5-173.1-2.700109.3L89Q87-L89 PolarHBondContact O-N 3.46Å
88P25.7Very low28Very low122 Ų122140.4 Ų140.479%0.79277%0.767SS**PPolyproline II helixtrans-71.6127.3171.426.7-29.3000110.4V90P88-V90 PolarHBondContact O-N 3.26Å
89L24.1Very low28Very low155 Ų155141.9 Ų141.981%0.81277%0.774SS**PPolyproline II helixtrans-61122.8172.1-132.493.3000109.3Q87 T91Q87-L89 PolarHBondContact O-N 3.46Å; L89-T91 HydrophobicContact CD2-CG2 4.27Å; L89-T91 PolarHBondContact O-N 3.03Å
90V30.3Very low28Very low128 Ų128142 Ų14278%0.77678%0.775SS**  trans-75.7112.7166.5179.20000107.5P88P88-V90 PolarHBondContact O-N 3.26Å
91T29.5Very low27.9Very low107 Ų107143.1 Ų143.166%0.65678%0.78SS**  trans-105.1122.5166.559.70000109L89 D93L89-T91 HydrophobicContact CD2-CG2 4.27Å; L89-T91 PolarHBondContact O-N 3.03Å; T91-D93 PolarHBondContact O-N 3.42Å
92D33.6Very low27.9Very low164 Ų164147.1 Ų147.188%0.87779%0.79SS**  trans-7385.2175.3-67.7-52.7000111.1
93D30.8Very low27.6Very low99 Ų99147.2 Ų147.253%0.52979%0.788SS.*  trans-146.1113160.6-167.5-26.2000110.6T91 T95T91-D93 PolarHBondContact O-N 3.42Å; D93-T95 VanDerWaalsContact C-N 3.27Å; D93-T95 PolarHBondContact O-N 2.92Å; D93-T95 PolarHBondContact OD1-N 3.46Å; D93-T95 PolarHBondContact OD1-OG1 3.03Å
94P34.5Very low27.6Very low130 Ų130145.6 Ų145.684%0.84478%0.781SS**THydrogen-bonded Turntrans-84.424-172.534.3-34.7000114.8
95T33.9Very low27.4Very low104 Ų104145.6 Ų145.664%0.63878%0.782SS**THydrogen-bonded Turntrans-127.99.3-174.260.50000117.6D93D93-T95 VanDerWaalsContact C-N 3.27Å; D93-T95 PolarHBondContact O-N 2.92Å; D93-T95 PolarHBondContact OD1-N 3.46Å; D93-T95 PolarHBondContact OD1-OG1 3.03Å
96Q32.6Very low27.3Very low144 Ų144146.6 Ų146.667%0.67378%0.779SS**  trans-115.5115.8177-64.2-71.3-12.600111.8H98Q96-H98 PolarHBondContact O-N 2.79Å
97V28Very low27.1Very low136 Ų136147.5 Ų147.582%0.82478%0.778SS**  trans-83.3107172.7178.80000108.2
98H27.9Very low26.9Very low154 Ų154144.7 Ų144.771%0.71377%0.773SS**  trans-86.5117.9172.2-77.3-94.8000110.7Q96 H100Q96-H98 PolarHBondContact O-N 2.79Å; H98-H100 PolarHBondContact O-N 2.84Å
99H27.6Very low26.8Very low184 Ų184148.6 Ų148.685%0.85277%0.772SS**  trans-70.8111.9158.4-86.3-22.2000108.8Q101H99-Q101 PolarHBondContact O-N 3.23Å
100H25.9Very low26.9Very low184 Ų184149.7 Ų149.785%0.85277%0.774SS**  trans-76.4111.9162.4-93.5-90.8000108.6H98H98-H100 PolarHBondContact O-N 2.84Å
101Q25.8Very low26.7Very low185 Ų185150.5 Ų150.586%0.86477%0.769SS**  trans-93.1111.6169.7-162.9161.730.600107H99H99-Q101 PolarHBondContact O-N 3.23Å
102E25.4Very low26.6Very low188 Ų188152 Ų15288%0.87978%0.777SS**  trans-74.1126.3174.8-74.3-172.9149.400110.3
103V21.6Very low26.4Very low130 Ų130151 Ų15179%0.78878%0.777SS**  trans-79.8120.4174.1175.40000108.5L105V103-L105 PolarHBondContact O-N 3.18Å
104I23.8Very low26.1Very low148 Ų148149.9 Ų149.976%0.75979%0.789SS**  trans-83.5112.4170.3-58.8175.3000108.1V106I104-V106 HydrophobicContact CG2-CG2 3.92Å; I104-V106 PolarHBondContact O-N 3.12Å
105L19.8Very low25.6Very low159 Ų159146.4 Ų146.483%0.83278%0.777SS**  trans-77.4106166.4-112.7129.4000108.6V103V103-L105 PolarHBondContact O-N 3.18Å
106V23.3Very low25.2Very low113 Ų113148.5 Ų148.569%0.68578%0.784SS**  trans-92.4106.8168.4-176.90000107.8I104 T108I104-V106 HydrophobicContact CG2-CG2 3.92Å; I104-V106 PolarHBondContact O-N 3.12Å; V106-T108 HydrophobicContact CG1-CG2 4.35Å
107Q20.7Very low24.9Very low183 Ų183148.8 Ų148.886%0.85579%0.79SS**  trans-89.2105.4170.2-156.7169.417.300108.2
108T20.9Very low25Very low121 Ų121146.8 Ų146.874%0.74278%0.782SS**  trans-78.4120.3168.848.20000108.5V106V106-T108 HydrophobicContact CG1-CG2 4.35Å
109R23.1Very low24.9Very low204 Ų204147.2 Ų147.277%0.7779%0.79SS**  trans-92.5113.3164.8-171.3175.8-178.3-132-4.9108E111R109-E111 IonicContact CZ-OE1 3.26Å; R109-E111 IonicContact NH1-OE1 3.68Å; R109-E111 PolarHBondContact NH1-OE1 3.09Å; R109-E111 IonicContact NH2-OE1 3.84Å
110E25.3Very low24.9Very low179 Ų179141.6 Ų141.684%0.83678%0.782SS**  trans-71.3121.5161.6-71.5-175.8130.900108.4
111E26.1Very low24.9Very low144 Ų144141.3 Ų141.367%0.67379%0.786SS**  trans-93.7113.3163.3-68.4-150.7147.100109.2R109R109-E111 IonicContact CZ-OE1 3.26Å; R109-E111 IonicContact NH1-OE1 3.68Å; R109-E111 PolarHBondContact NH1-OE1 3.09Å; R109-E111 IonicContact NH2-OE1 3.84Å
112V27.3Very low24.9Very low138 Ų138143.3 Ų143.384%0.83679%0.785SS**  trans-79.2119.7166.1178.30000107.8
113V30Very low25Very low144 Ų144138.5 Ų138.587%0.87378%0.778SS**  trans-79.4132.2178-172.50000110.6
114G24.2Very low25.3Very low75 Ų75139.7 Ų139.777%0.77378%0.775SS**  trans162.1133.516200000108.4
115G24.1Very low25.4Very low58 Ų58140 Ų14060%0.59878%0.777SS**  cis172.41352.400000104
116D26.1Very low25.6Very low147 Ų147136.2 Ų136.279%0.78678%0.777SS**  trans45.9111.2149.4-1.5-48.7000119.8
117D27.1Very low25.6Very low151 Ų151140.8 Ų140.881%0.80779%0.788SS**  164.9125105.1-85.1-32.1000113.7
118S29.4Very low25.9Very low93 Ų93140.3 Ų140.365%0.6579%0.786SS**  trans21.6116.6149.247.80000121.2
119D26.8Very low26.1Very low163 Ų163142.3 Ų142.387%0.87279%0.792SS**  171.5129.891.3-97.4-36.3000113
120G27.3Very low26.2Very low66 Ų66139.3 Ų139.368%0.6879%0.787SS**  trans64.7104.8147.500000120.1
121L25.9Very low26.1Very low179 Ų179138.1 Ų138.194%0.93779%0.785SS**  176.3128.1112.7-87.5166.2000112
122R25.8Very low26.1Very low227 Ų227137.1 Ų137.186%0.85778%0.783SS**  trans-4.6115.4163.7-128.5159.782.195.4-1.4118.4
123A26.2Very low25.9Very low87 Ų87137.6 Ų137.672%0.71978%0.78SS**  trans-86.8136.6162.300000110.8
124E27.6Very low25.7Very low155 Ų155136.4 Ų136.472%0.72478%0.775SS**  trans-151.7136.4147.1-70.4-58.9153.300108.1
125D26.4Very low25.7Very low153 Ų153139 Ų13982%0.81878%0.776SS**  trans74.792164.6-51.4-31.8000119.4
126G24.4Very low25.8Very low80 Ų80142 Ų14283%0.82578%0.784SS**PPolyproline II helixtrans-74.9140.8172.400000114
127F24.2Very low25.9Very low209 Ų209139.1 Ų139.192%0.91778%0.781SS**PPolyproline II helixtrans-95125.5162.5-118-101.8000107.5
128E27Very low25.9Very low174 Ų174138 Ų13881%0.81378%0.781SS**PPolyproline II helixtrans-75.8123.2172.8-67.2178.1135.700109.5Q130E128-Q130 PolarHBondContact O-N 3.35Å
129D24.8Very low25.9Very low162 Ų162138.8 Ų138.887%0.86679%0.794SS**PPolyproline II helixtrans-67.9118.4173.8-73.1-42000110.6
130Q25.6Very low26Very low142 Ų142135 Ų13566%0.66479%0.794SS**  trans-99.5115.1169.7-68.4179.334.200109.2E128E128-Q130 PolarHBondContact O-N 3.35Å
131I22.9Very low26Very low154 Ų154135.1 Ų135.179%0.7979%0.794SS**  trans-88.9119.4169.5-59.7172.7000107.5
132L25.6Very low26.3Very low123 Ų123134.7 Ų134.764%0.64479%0.793SS**  trans-112.7118.2171.7-74.6171.3000109.7
133I22.8Very low26.6Very low148 Ų148131 Ų13176%0.75979%0.79SS**PPolyproline II helixtrans-84.3121.9172.8-55.4174.3000107.8
134P25.6Very low26.9Very low118 Ų118135 Ų13577%0.76680%0.8SS**PPolyproline II helixtrans-73.6131176.626.9-30.1000111.2
135V25.2Very low27Very low131 Ų131136.1 Ų136.179%0.79480%0.799SS**PPolyproline II helixtrans-90130.6166.8-178.60000108
136P25.2Very low27Very low119 Ų119135.3 Ų135.377%0.77379%0.793SS**PPolyproline II helixtrans-66.9135.8178.825.4-32.1000111.5
137A29.3Very low27Very low87 Ų87138.6 Ų138.672%0.71979%0.787SS**PPolyproline II helixtrans-74.6144.5170.500000110.5
138P25.4Very low27.2Very low127 Ų127136.8 Ų136.883%0.82578%0.781SS**PPolyproline II helixtrans-66.1137.8174.827.7-32.5000110.6G140P138-G140 PolarHBondContact O-N 2.83Å
139A29.5Very low27.1Very low111 Ų111134.3 Ų134.392%0.91778%0.778SS**SBendtrans-68.8124.3-179.500000111.5
140G30Very low27Very low84 Ų84133 Ų13387%0.86677%0.77SS**  trans125.7100.7162.700000114.2P138P138-G140 PolarHBondContact O-N 2.83Å
141G25.9Very low26.9Very low67 Ų67131 Ų13169%0.69177%0.768SS**  trans152.1109.9168.500000111.5D143G141-D143 PolarHBondContact O-N 3.23Å
142D33.5Very low26.9Very low170 Ų170129 Ų12991%0.90976%0.763SS**SBendtrans-72.374.1174.6-57.3-47000110.1
143D30.6Very low26.8Very low150 Ų150129.6 Ų129.680%0.80277%0.771SS**  trans-154.7102.8169.3-81.8-46.8000108.9G141 Y145G141-D143 PolarHBondContact O-N 3.23Å; D143-Y145 VanDerWaalsContact C-N 3.34Å; D143-Y145 PolarHBondContact O-N 3.31Å
144D32.8Very low26.7Very low172 Ų172127.1 Ų127.192%0.9277%0.773SS**  trans-67.186.8175.6-83.6-42000110.9
145Y30.4Very low26.6Very low178 Ų178126.4 Ų126.470%0.69878%0.777SS**  trans-133.591.1161.6-159.1-97.1000109.1D143 E147D143-Y145 VanDerWaalsContact C-N 3.34Å; D143-Y145 PolarHBondContact O-N 3.31Å; Y145-E147 HydrophobicContact CD1-CG 3.84Å; Y145-E147 HydrophobicContact CE1-CG 3.46Å; Y145-E147 VanDerWaalsContact CE1-CG 3.46Å; Y145-E147 PolarHBondContact O-N 3.01Å
146I27.4Very low26.6Very low135 Ų135124.8 Ų124.869%0.69278%0.777SS**  trans-84.8108.3169.1-54.5-179.5000107.6Q148I146-Q148 HydrophobicContact CG2-CG 3.58Å; I146-Q148 PolarHBondContact O-N 3.26Å
147E24.2Very low26.6Very low149 Ų149122.8 Ų122.870%0.69678%0.779SS**  trans-74.6102.3159-70.8-154155.300108.7Y145Y145-E147 HydrophobicContact CD1-CG 3.84Å; Y145-E147 HydrophobicContact CE1-CG 3.46Å; Y145-E147 VanDerWaalsContact CE1-CG 3.46Å; Y145-E147 PolarHBondContact O-N 3.01Å
148Q27.6Very low26.6Very low172 Ų172128.7 Ų128.780%0.80479%0.788SS**  trans-85.1113.3167.7-65.7-170.9-4900109I146I146-Q148 HydrophobicContact CG2-CG 3.58Å; I146-Q148 PolarHBondContact O-N 3.26Å
149T24.4Very low26.7Very low122 Ų122128.7 Ų128.775%0.74879%0.791SS**  trans-80.7117.1166.9-58.10000108.3V151T149-V151 HydrophobicContact CG2-CG2 4.49Å
150L23Very low26.6Very low134 Ų134127.3 Ų127.370%0.70279%0.788SS**  trans-79.2119.4177.5-150.5101.1000109.2
151V23.5Very low26.4Very low101 Ų101127.3 Ų127.361%0.61279%0.788SS**  trans-114.9107.1171.4-1780000108.7T149 V153T149-V151 HydrophobicContact CG2-CG2 4.49Å; V151-V153 HydrophobicContact CG1-CG2 4.33Å
152T22.7Very low26.4Very low112 Ų112128.3 Ų128.369%0.68780%0.798SS**  trans-84.7119.7169.130.80000110
153V23Very low26Very low134 Ų134124.2 Ų124.281%0.81280%0.796SS**  trans-101110.4169.5-173.40000108.2V151V151-V153 HydrophobicContact CG1-CG2 4.33Å
154A22.4Very low25.9Very low97 Ų97122.6 Ų122.680%0.80280%0.796SS**  trans-86.2116.6172.300000109.7A156A154-A156 PolarHBondContact O-N 2.82Å
155A23.1Very low25.7Very low103 Ų103120.3 Ų120.385%0.85179%0.794SS**  trans-78.9102.517000000109.7G157A155-G157 PolarHBondContact O-N 3.44Å
156A24.8Very low25.5Very low96 Ų96116.9 Ų116.979%0.79380%0.796SS**  trans-82.889.6172.100000110.4A154 K158A154-A156 PolarHBondContact O-N 2.82Å; A156-K158 PolarHBondContact O-N 3.14Å
157G26Very low25.6Very low78 Ų78116 Ų11680%0.80480%0.802SS**  trans-71.7106.1167.200000110.9A155A155-G157 PolarHBondContact O-N 3.44Å
158K28.2Very low25.6Very low211 Ų211113.1 Ų113.192%0.91781%0.811SS**  trans-82.5117.7166.1-77.8171.2173.3174.10109A156A156-K158 PolarHBondContact O-N 3.14Å
159S27.9Very low25.5Very low126 Ų126109 Ų10988%0.88182%0.815SS**  trans-113.9114.4155.361.90000109.1
160G26.7Very low25.6Very low83 Ų83107 Ų10786%0.85682%0.819SS**  trans-95.3145.6166.100000109.7
161G26.5Very low25.9Very low84 Ų84112.1 Ų112.187%0.86683%0.829SS**  trans173.7107171.500000111
162G25.9Very low26.1Very low88 Ų88113.2 Ų113.291%0.90784%0.835SS**  trans-87.6-172.4-172.500000115.5
163G25.2Very low26.5Very low83 Ų83117.2 Ų117.286%0.85684%0.843SS**  trans146.1105.1166.200000114.8
164S27.5Very low26.9Very low117 Ų117121 Ų12182%0.81885%0.849SS**  trans-55.6150.9177.548.30000117.5
165S28.7Very low27.1Very low123 Ų123120 Ų12086%0.8685%0.848SS**  -175.2160.7115.852.90000113.6
166S27.5Very low27.3Very low106 Ų106119.1 Ų119.174%0.74185%0.849SS**  trans-67153-164.951.40000118.7
167S27.9Very low27.4Very low118 Ų118118 Ų11883%0.82585%0.847SS**  155.5141.398.9580000114.3
168G25.8Very low27.6Very low87 Ų87124.8 Ų124.890%0.89785%0.854SS**  trans75.6130.5159.100000116.6
169G25.4Very low27.7Very low85 Ų85124.4 Ų124.488%0.87685%0.853SS**  cis154.8135.37.800000107
170G25.8Very low27.7Very low80 Ų80124.3 Ų124.383%0.82585%0.852SS**  trans125.597.4157.600000119.6
171R28.8Very low27.6Very low243 Ų243123.4 Ų123.492%0.91784%0.842SS**  88.389.1122.2-148.5170.8-166.7161.92.5121.5
172V28.3Very low27.6Very low124 Ų124128.4 Ų128.475%0.75284%0.84SS**  27.1123.6122.5-162.50000120.6
173K31.4Very low27.5Very low196 Ų196131.5 Ų131.585%0.85283%0.829SS**  171.5115.1112.1-90.4-177.6-177.6176.20109.8
174K30.4Very low27.5Very low212 Ų212131.4 Ų131.492%0.92282%0.815SS**  82126.977.1-118.7-165.7-173.3-177.80115.9
175G26.7Very low27.2Very low77 Ų77135 Ų13579%0.79481%0.812SS**  trans115101.4156.500000112.6
176G27.9Very low26.9Very low84 Ų84136.8 Ų136.887%0.86681%0.811SS**  92.7103.270.100000107.1
177G26.9Very low26.8Very low73 Ų73137.3 Ų137.375%0.75382%0.815SS**  101.4114.351.800000108.2
178K30.6Very low26.5Very low220 Ų220135.7 Ų135.796%0.95782%0.817SS**  178.8130.1129.4-96.9168.8-174.4-176.10111.8
179K30.4Very low26.4Very low204 Ų204135.5 Ų135.589%0.88782%0.815SS**  trans-88.9151.7171.5-62.6172.1173.3176.30109.4
180S27.1Very low26.4Very low124 Ų124136.6 Ų136.687%0.86782%0.815SS**  trans176.7128.2138.851.30000106.2
181G24.9Very low26.2Very low63 Ų63136.6 Ų136.665%0.64982%0.816SS**  cis133.1118.427.400000105.8
182K26.3Very low26.1Very low189 Ų189130 Ų13082%0.82281%0.813SS**  60141.8119.1-66.2180179.9177.30114.6
183K24.3Very low26Very low153 Ų153129.3 Ų129.367%0.66582%0.821SS**  cis176.5133.912.6-114.9178.9-179.3-167.30103.7
184S24.5Very low25.6Very low82 Ų82124 Ų12457%0.57382%0.822SS**  60.3158.1110.474.80000119.2
185Y21.6Very low25.5Very low192 Ų192117.8 Ų117.875%0.75382%0.818SS**  trans104.9103.9172.5-55.8-67.7000113.4
186L23.1Very low25.4Very low160 Ų160118.5 Ų118.584%0.83883%0.825SS**  54.512876.4-64.6174.6000110.8
187S24.4Very low25.2Very low117 Ų117118.1 Ų118.182%0.81882%0.821SS**  cis-176.8156.924.446.10000110.4
188G22.6Very low25.3Very low85 Ų85119.5 Ų119.588%0.87683%0.825SS**  trans112.4126.8138.100000119
189G23.5Very low25.2Very low82 Ų82116.3 Ų116.385%0.84582%0.819SS**  trans146.879.415500000118.3
190A24.7Very low25.3Very low108 Ų108112.5 Ų112.589%0.89382%0.815SS**  trans-4.1132.6160.600000122.9
191G22.9Very low25.5Very low81 Ų81109.7 Ų109.784%0.83581%0.805SS**  104.799.7116.900000119.8
192A25.5Very low26Very low104 Ų104115.1 Ų115.186%0.8682%0.82SS**  172.4124.4126.500000113.1
193A25.6Very low26.6Very low110 Ų110113.8 Ų113.891%0.90981%0.813SS**  trans15.3131.4155.800000123.1
194G24.6Very low26.9Very low85 Ų85115.3 Ų115.388%0.87682%0.82SS**  trans134110.1135.700000116.6
195G26.8Very low27.4Very low81 Ų81118.2 Ų118.284%0.83582%0.819SS**  trans12497.9159.900000114.7
196G24.7Very low27.8Very low91 Ų91113.8 Ų113.894%0.93881%0.805SS**  trans-71.6127.2174.100000112.4
197G25.3Very low28.3Very low77 Ų77111.6 Ų111.679%0.79479%0.791SS**  trans-120.7116.715400000106.9
198A28.7Very low28.8Very low102 Ų102111.6 Ų111.684%0.84378%0.776SS**  trans-94125175.500000109.6
199D28.2Very low29.2Very low152 Ų152113.1 Ų113.181%0.81376%0.76SS**  trans-45.4136.9161.2-87.5-84.8000112.6
200P32.7Very low29.7Very low125 Ų125112.4 Ų112.481%0.81274%0.739SS**  trans-75.1126164.928.3-27000110.3
201G31.5Very low29.9Very low64 Ų64111.3 Ų111.366%0.6672%0.715SS**  trans-62.9150.7-167.800000117.3K203G201-K203 PolarHBondContact O-N 2.97Å
202N34.4Very low30.4Very low178 Ų178111.1 Ų111.195%0.95269%0.694SS**  trans-41.7115162.3-103.8-3.2000112.1
203K38.3Very low30.5Very low160 Ų160110.1 Ų110.170%0.69667%0.671SS**  trans-92.9127167.1-64.7-176.8-179.2-177.90109.2G201 W205G201-K203 PolarHBondContact O-N 2.97Å; K203-W205 VanDerWaalsContact O-CD1 3.32Å
204K30.9Very low30.9Very low186 Ų186108.3 Ų108.381%0.80965%0.648SS**  trans-87.4115.8177.7-172.5-177.5178.8-168.30108.3
205W34.8Very low31Very low142 Ų142113.1 Ų113.154%0.53865%0.653SS.*PPolyproline II helixtrans-101137.2176.7-59.788.8000109.5K203 W224K203-W205 VanDerWaalsContact O-CD1 3.32Å; W205-W224 HydrophobicContact CB-CE3 3.68Å; W205-W224 HydrophobicContact CB-CZ3 4.16Å; W205-W224 HydrophobicContact CE3-CB 4.43Å
206E30.9Very low31.3Very low100 Ų100118.8 Ų118.847%0.46766%0.658SS.*EExtended strand (participates in β ladder)trans-100.5129.4169.1-84-166.8164.700110.5K208 W224 S225E206-K208 IonicContact OE2-NZ 3.62Å; E206-W224 WeakPolarHBondContact O-CA 3.47Å; E206-S225 PolarHBondContact N-O 3.14Å; E206-S225 PolarHBondContact O-N 3.43Å; E206-S225 VanDerWaalsContact O-N 3.12Å
207Q33.2Very low31.6Very low114 Ų114116.2 Ų116.253%0.53363%0.631SS.*EExtended strand (participates in β ladder)trans-92.3127175.4-169.2177.52.200109.4T222 M223 W224Q207-T222 HydrophobicContact CG-CG2 3.55Å; Q207-M223 CarbonylContact C-O 3.46Å; Q207-M223 WeakPolarHBondContact CA-O 3.4Å; Q207-W224 HydrophobicContact CB-CD2 4.08Å; Q207-W224 HydrophobicContact CB-CE3 3.79Å; Q207-W224 HydrophobicContact CB-CH2 3.76Å; Q207-W224 HydrophobicContact CB-CZ2 4.01Å; Q207-W224 HydrophobicContact CB-CZ3 3.65Å; Q207-W224 VanDerWaalsContact CD-CZ2 3.42Å; Q207-W224 HydrophobicContact CG-CD2 4.19Å; Q207-W224 HydrophobicContact CG-CE3 4.37Å; Q207-W224 HydrophobicContact CG-CH2 3.97Å; Q207-W224 HydrophobicContact CG-CZ2 3.71Å; Q207-W224 HydrophobicContact CG-CZ3 4.3Å
208K35Very low31.7Very low116 Ų116116 Ų11650%0.50461%0.609SS.*EExtended strand (participates in β ladder)trans-131.4129.8174-73.4178.8-177.6161.50110E206 M223E206-K208 IonicContact OE2-NZ 3.62Å; K208-M223 PolarHBondContact N-O 3.27Å; K208-M223 PolarHBondContact O-N 2.86Å
209Q31.7Very low31.9Very low118 Ų118116.1 Ų116.155%0.55159%0.591SS**EExtended strand (participates in β ladder)trans-101.7129.8179-158.2168.4-10.700109.4S220 T222Q209-S220 PolarHBondContact NE2-OG 3.3Å; Q209-T222 HydrophobicContact CB-CG2 3.9Å; Q209-T222 HydrophobicContact CG-CG2 4.02Å
210V33.1Very low31.8Very low66 Ų66111.3 Ų111.340%0.457%0.57SS.*EExtended strand (participates in β ladder)trans-121.9128.8-178.4-177.10000108.2S220 V221V210-S220 CarbonylContact O-C 3.55Å; V210-S220 WeakPolarHBondContact O-CA 3.43Å; V210-V221 PolarHBondContact N-O 2.75Å; V210-V221 PolarHBondContact O-N 3.21Å
211Q30.3Very low31.9Very low85 Ų85108.4 Ų108.440%0.39755%0.55SS..EExtended strand (participates in β ladder)trans-92.9137.4174.5-66.8-151.7-20.300111V21 E218V21-Q211 PolarHBondContact O-OE1 3.47Å; Q211-E218 PolarHBondContact OE1-OE1 3.25Å
212I32.1Very low31.9Very low77 Ų77108.1 Ų108.140%0.39554%0.535SS..EExtended strand (participates in β ladder)trans-126.2119.6-179.6-54.5176.4000107.3T214 F219 V221I212-T214 HydrophobicContact CG2-CG2 4.46Å; I212-F219 HydrophobicContact CB-CE2 4.31Å; I212-F219 PolarHBondContact N-O 2.75Å; I212-F219 PolarHBondContact O-N 3.29Å; I212-V221 HydrophobicContact CD1-CG2 4.48Å
213K28.7Very low31.9Very low83 Ų83104 Ų10436%0.36151%0.511SS..EExtended strand (participates in β ladder)trans-95.5128.6173.8-72.9176.1161.577.10109.7L23 E218L23-K213 HydrophobicContact CD2-CD 3.9Å; L23-K213 HydrophobicContact CG-CD 4.46Å; K213-E218 VanDerWaalsContact CE-OE1 3.32Å; K213-E218 WeakPolarHBondContact CE-OE1 3.13Å; K213-E218 WeakPolarHBondContact CE-OE2 3.49Å; K213-E218 HydrophobicContact CG-CB 3.87Å; K213-E218 HydrophobicContact CG-CG 3.54Å; K213-E218 WeakPolarHBondContact CG-OE1 3.42Å; K213-E218 IonicContact NZ-OE1 3.99Å; K213-E218 PolarHBondContact NZ-OE1 3.32Å; K213-E218 IonicContact NZ-OE2 2.59Å; K213-E218 PolarHBondContact NZ-OE2 2.84Å
214T33.5Very low31.7Very low72 Ų72103.5 Ų103.544%0.44251%0.505SS..EExtended strand (participates in β ladder)trans-120.5170.8167.172.80000110.1I212 E216 G217 F219I212-T214 HydrophobicContact CG2-CG2 4.46Å; T214-E216 PolarHBondContact O-N 3.02Å; T214-E216 VanDerWaalsContact O-N 3.16Å; T214-G217 PolarHBondContact N-O 3.19Å; T214-G217 PolarHBondContact O-N 3.35Å; T214-G217 PolarHBondContact OG1-O 3.17Å; T214-F219 HydrophobicContact CG2-CE1 3.99Å; T214-F219 HydrophobicContact CG2-CZ 4.07Å
215L27.2Very low31.9Very low187 Ų18797.4 Ų97.498%0.97949%0.486SS*.THydrogen-bonded Turntrans-64-15.8-179.8-66.7171.2000113.5
216E32.2Very low31.8Very low199 Ų19993.8 Ų93.893%0.9348%0.482SS*.THydrogen-bonded Turntrans-105.41.1179.3-61.5-171.2146.600113.3T214T214-E216 PolarHBondContact O-N 3.02Å; T214-E216 VanDerWaalsContact O-N 3.16Å
217G31.9Very low32.1Very low37 Ų3796 Ų9638%0.38150%0.497SS..EExtended strand (participates in β ladder)trans143.8168.3175.700000114.5T214T214-G217 PolarHBondContact N-O 3.19Å; T214-G217 PolarHBondContact O-N 3.35Å; T214-G217 PolarHBondContact OG1-O 3.17Å
218E27.6Very low32.2Very low72 Ų7298.4 Ų98.434%0.33651%0.509SS..EExtended strand (participates in β ladder)trans-104.5135.3179.3-175.7165.2-15100112.1Q211 K213Q211-E218 PolarHBondContact OE1-OE1 3.25Å; K213-E218 VanDerWaalsContact CE-OE1 3.32Å; K213-E218 WeakPolarHBondContact CE-OE1 3.13Å; K213-E218 WeakPolarHBondContact CE-OE2 3.49Å; K213-E218 HydrophobicContact CG-CB 3.87Å; K213-E218 HydrophobicContact CG-CG 3.54Å; K213-E218 WeakPolarHBondContact CG-OE1 3.42Å; K213-E218 IonicContact NZ-OE1 3.99Å; K213-E218 PolarHBondContact NZ-OE1 3.32Å; K213-E218 IonicContact NZ-OE2 2.59Å; K213-E218 PolarHBondContact NZ-OE2 2.84Å
219F31.7Very low32.4Very low106 Ų106102.5 Ų102.547%0.46553%0.526SS..EExtended strand (participates in β ladder)trans-139.6148174.748.3-89.2000112.1I212 T214 V221I212-F219 HydrophobicContact CB-CE2 4.31Å; I212-F219 PolarHBondContact N-O 2.75Å; I212-F219 PolarHBondContact O-N 3.29Å; T214-F219 HydrophobicContact CG2-CE1 3.99Å; T214-F219 HydrophobicContact CG2-CZ 4.07Å; F219-V221 HydrophobicContact CD2-CG2 4.3Å
220S26.7Very low32.4Very low51 Ų51105.1 Ų105.136%0.35754%0.536SS..EExtended strand (participates in β ladder)trans-103.3132.8178.775.60000111.3Q209 V210Q209-S220 PolarHBondContact NE2-OG 3.3Å; V210-S220 CarbonylContact O-C 3.55Å; V210-S220 WeakPolarHBondContact O-CA 3.43Å
221V34.5Very low32.2Very low64 Ų64109.1 Ų109.139%0.38856%0.555SS.*EExtended strand (participates in β ladder)trans-113.7132.6175.3-179.40000109.1V210 I212 F219 M223V210-V221 PolarHBondContact N-O 2.75Å; V210-V221 PolarHBondContact O-N 3.21Å; I212-V221 HydrophobicContact CD1-CG2 4.48Å; F219-V221 HydrophobicContact CD2-CG2 4.3Å; V221-M223 HydrophobicContact CG1-CG 4.37Å
222T32.2Very low32.1Very low57 Ų57112.3 Ų112.335%0.3557%0.573SS.*EExtended strand (participates in β ladder)trans-103.4124.8178.8-29.20000110.3Q207 Q209Q207-T222 HydrophobicContact CG-CG2 3.55Å; Q209-T222 HydrophobicContact CB-CG2 3.9Å; Q209-T222 HydrophobicContact CG-CG2 4.02Å
223M34.3Very low31.8Very low93 Ų93115.8 Ų115.846%0.45859%0.592SS.*EExtended strand (participates in β ladder)trans-116.5151.6-174.5-61.8177.96700110.8M1 Q207 K208 V221M1-M223 HydrophobicContact SD-CE 4.46Å; Q207-M223 CarbonylContact C-O 3.46Å; Q207-M223 WeakPolarHBondContact CA-O 3.4Å; K208-M223 PolarHBondContact N-O 3.27Å; K208-M223 PolarHBondContact O-N 2.86Å; V221-M223 HydrophobicContact CG1-CG 4.37Å
224W34.4Very low31.8Very low148 Ų148120.6 Ų120.656%0.56162%0.616SS**EExtended strand (participates in β ladder)trans-119.3132.3174.3-60.482.7000109.2W205 E206 Q207W205-W224 HydrophobicContact CB-CE3 3.68Å; W205-W224 HydrophobicContact CB-CZ3 4.16Å; W205-W224 HydrophobicContact CE3-CB 4.43Å; E206-W224 WeakPolarHBondContact O-CA 3.47Å; Q207-W224 HydrophobicContact CB-CD2 4.08Å; Q207-W224 HydrophobicContact CB-CE3 3.79Å; Q207-W224 HydrophobicContact CB-CH2 3.76Å; Q207-W224 HydrophobicContact CB-CZ2 4.01Å; Q207-W224 HydrophobicContact CB-CZ3 3.65Å; Q207-W224 VanDerWaalsContact CD-CZ2 3.42Å; Q207-W224 HydrophobicContact CG-CD2 4.19Å; Q207-W224 HydrophobicContact CG-CE3 4.37Å; Q207-W224 HydrophobicContact CG-CH2 3.97Å; Q207-W224 HydrophobicContact CG-CZ2 3.71Å; Q207-W224 HydrophobicContact CG-CZ3 4.3Å
225S34.3Very low31.4Very low59 Ų59126.1 Ų126.141%0.41364%0.637SS.*EExtended strand (participates in β ladder)trans-124.9143.8-179.5163.70000110.1E206E206-S225 PolarHBondContact N-O 3.14Å; E206-S225 PolarHBondContact O-N 3.43Å; E206-S225 VanDerWaalsContact O-N 3.12Å
226S33.3Very low31.4Very low66 Ų66123 Ų12346%0.46263%0.625SS.*  trans-125.4126.9172.1179.40000108.6E228S226-E228 PolarHBondContact O-N 2.97Å
227D36.6Very low31Very low145 Ų145119.6 Ų119.678%0.77562%0.618SS**  trans-8496.1-179-73.4-51000111.2
228E34.4Very low30.7Very low166 Ų166123.7 Ų123.778%0.77664%0.635SS**  trans-155.9108.3149.6-120.4-177.1131.700111.6S226S226-E228 PolarHBondContact O-N 2.97Å
229K40.2Very low30.5Very low202 Ų202129 Ų12988%0.87866%0.66SS**  trans-75.1128.9169.6-113.2174.4175.4173.50109.1
230K31.6Very low30.3Very low173 Ų173132.9 Ų132.975%0.75268%0.68SS**  trans-130.8123.3160.2-79-171.8179.2174.20110.5
231D27.8Very low30.2Very low149 Ų149139.3 Ų139.380%0.79770%0.704SS**  trans-61.7141175.2-56.8-61.8000110.8
232I28.9Very low29.9Very low153 Ų153144.4 Ų144.479%0.78573%0.727SS**  trans-123.8116.7170.9-61.3174.6000107.8
233D25.9Very low29.7Very low149 Ų149149.4 Ų149.480%0.79775%0.75SS**  trans-76.5124.4177.9-4.6-42000109.8
234H28.9Very low29.4Very low184 Ų184147.7 Ų147.785%0.85276%0.757SS**  trans-84.5121.2169.6-96.8-94.6000109.6
235E25.9Very low29.3Very low189 Ų189149.8 Ų149.888%0.88377%0.773SS**  trans-126.1111.3161.2-151175.5-178.900109.6
236T26.8Very low29.1Very low120 Ų120154.2 Ų154.274%0.73679%0.792SS**  trans-76.3128.717838.30000111.4
237V22.7Very low28.9Very low128 Ų128156.7 Ų156.778%0.77681%0.809SS**  trans-125.3116.8156.61790000108
238V26.2Very low28.6Very low123 Ų123154.5 Ų154.575%0.74580%0.803SS**  trans-87.5121.8171.5178.50000107.5
239E23.9Very low28.6Very low184 Ų184150.6 Ų150.686%0.8679%0.792SS**  trans-133111.3155.3-79.6-167.1154.800109.1
240E27.1Very low28.5Very low187 Ų187147 Ų14787%0.87478%0.782SS**  trans-69.9131167.6-70.3-178.4125.900109.8
241Q25.2Very low28.8Very low187 Ų187144.6 Ų144.687%0.87477%0.769SS**  trans-139.6119.8159.5-129.7177.73.600112.3
242I27.4Very low29.6Very low170 Ų170140.8 Ų140.887%0.87275%0.754SS**  trans-58.1122.5179.6-62.2160.6000110.6
243I29Very low30Very low162 Ų162139.6 Ų139.683%0.83175%0.745SS**  trans-92.3101.5171.6-53.9175.3000108.7
244G27.1Very low31Very low58 Ų58136.1 Ų136.160%0.59872%0.721SS**  trans-85124.3162.200000110.6N246G244-N246 PolarHBondContact O-N 3.43Å
245E32Very low31.3Very low192 Ų192135.3 Ų135.390%0.89772%0.72SS**  trans-67.395.7172.1-65.1-177.8135.400110.7
246N29.9Very low32.3Very low152 Ų152130.4 Ų130.481%0.81370%0.703SS**  trans-115.5112.5161.3-80.4-42.3000108.4G244G244-N246 PolarHBondContact O-N 3.43Å
247S30.5Very low33.1Very low117 Ų117128.1 Ų128.182%0.81870%0.703SS**PPolyproline II helixtrans-60131.8158.5-79.30000108.1
248P30.2Very low34Very low100 Ų100130.8 Ų130.865%0.64970%0.704SS**PPolyproline II helixtrans-65.6141.2175.626.2-30.5000109.3
249P34Very low34.6Very low83 Ų83132.1 Ų132.154%0.53970%0.7SS.*PPolyproline II helixtrans-60.9150.5171.521.7-26.9000110.3Y251P249-Y251 HydrophobicContact CG-CD2 4.27Å; P249-Y251 HydrophobicContact CG-CE2 3.58Å; P249-Y251 WeakPolarHBondContact O-CD2 3.31Å; P249-Y251 PolarHBondContact O-N 3.26Å
250D36.6Very low35.6Very low126 Ų126127.9 Ų127.967%0.67468%0.683SS**  trans-63.2106.9175.4-179.7-0.5000109.6S252D250-S252 VanDerWaalsContact C-N 3.31Å; D250-S252 WeakPolarHBondContact OD1-CB 3.42Å; D250-S252 PolarHBondContact OD1-N 3.2Å; D250-S252 PolarHBondContact OD1-OG 3.03Å; D250-S252 PolarHBondContact OD2-OG 3.29Å
251Y39.4Very low36Very low124 Ų124121.2 Ų121.249%0.48666%0.656SS.*  trans-887.3-177-86.4-85.8000113.9P249 E253 Y254 M255P249-Y251 HydrophobicContact CG-CD2 4.27Å; P249-Y251 HydrophobicContact CG-CE2 3.58Å; P249-Y251 WeakPolarHBondContact O-CD2 3.31Å; P249-Y251 PolarHBondContact O-N 3.26Å; Y251-E253 PolarHBondContact O-N 3.32Å; Y251-Y254 AromaticContact CD1-CD2 3.26Å; Y251-Y254 HydrophobicContact CD1-CD2 3.26Å; Y251-Y254 AromaticContact CD1-CE2 3.7Å; Y251-Y254 HydrophobicContact CD1-CE2 3.7Å; Y251-Y254 AromaticContact CD1-CG 3.95Å; Y251-Y254 HydrophobicContact CD1-CG 3.95Å; Y251-Y254 AromaticContact CE1-CD2 3.96Å; Y251-Y254 HydrophobicContact CE1-CD2 3.96Å; Y251-Y254 HydrophobicContact CE1-CE2 4.07Å; Y251-Y254 AromaticContact CG-CD2 3.96Å; Y251-Y254 HydrophobicContact CG-CD2 3.96Å; Y251-Y254 HydrophobicContact CG-CE2 4.32Å; Y251-Y254 PolarHBondContact O-N 2.7Å; Y251-Y254 VanDerWaalsContact O-N 3.15Å; Y251-M255 PolarHBondContact O-N 3.37Å
252S43.1Very low36.4Very low68 Ų68117.7 Ų117.748%0.47665%0.649SS.*THydrogen-bonded Turntrans-59-32.5-174.958.80000113.5D250D250-S252 VanDerWaalsContact C-N 3.31Å; D250-S252 WeakPolarHBondContact OD1-CB 3.42Å; D250-S252 PolarHBondContact OD1-N 3.2Å; D250-S252 PolarHBondContact OD1-OG 3.03Å; D250-S252 PolarHBondContact OD2-OG 3.29Å
253E37.5Very low37.2Very low128 Ų128113.6 Ų113.660%0.59865%0.649SS**THydrogen-bonded Turntrans-72.4-31.4178.5-67-164.9158.400113.7Y251 T256Y251-E253 PolarHBondContact O-N 3.32Å; E253-T256 PolarHBondContact O-N 2.75Å; E253-T256 PolarHBondContact O-OG1 3.39Å
254Y46.9Very low38.1Very low76 Ų76107.7 Ų107.730%0.29863%0.628SS.*G310 helixtrans-77-26.2-178.6-50.5-83.2000112.6Y251 T256 G257 P261Y251-Y254 AromaticContact CD1-CD2 3.26Å; Y251-Y254 HydrophobicContact CD1-CD2 3.26Å; Y251-Y254 AromaticContact CD1-CE2 3.7Å; Y251-Y254 HydrophobicContact CD1-CE2 3.7Å; Y251-Y254 AromaticContact CD1-CG 3.95Å; Y251-Y254 HydrophobicContact CD1-CG 3.95Å; Y251-Y254 AromaticContact CE1-CD2 3.96Å; Y251-Y254 HydrophobicContact CE1-CD2 3.96Å; Y251-Y254 HydrophobicContact CE1-CE2 4.07Å; Y251-Y254 AromaticContact CG-CD2 3.96Å; Y251-Y254 HydrophobicContact CG-CD2 3.96Å; Y251-Y254 HydrophobicContact CG-CE2 4.32Å; Y251-Y254 PolarHBondContact O-N 2.7Å; Y251-Y254 VanDerWaalsContact O-N 3.15Å; Y254-T256 PolarHBondContact O-N 3.02Å; Y254-G257 PolarHBondContact O-N 2.89Å; Y254-P261 HydrophobicContact CD1-CB 4.31Å; Y254-P261 HydrophobicContact CE1-CB 4.35Å
255M37Very low39.2Very low167 Ų167107.9 Ų107.982%0.82362%0.615SS**G310 helixtrans-66.9-16.9175.8-66.9-66.8-131.800113Y251Y251-M255 PolarHBondContact O-N 3.37Å
256T47Very low39.6Very low87 Ų87104.9 Ų104.953%0.53461%0.612SS.*G310 helixtrans-87.6-2.8178.170.60000114E253 Y254 K258E253-T256 PolarHBondContact O-N 2.75Å; E253-T256 PolarHBondContact O-OG1 3.39Å; Y254-T256 PolarHBondContact O-N 3.02Å; T256-K258 PolarHBondContact O-N 2.74Å
257G43.2Very low40.6Very low71 Ų71101.3 Ų101.373%0.73261%0.611SS**THydrogen-bonded Turntrans71.49.5176.800000115.4Y254Y254-G257 PolarHBondContact O-N 2.89Å
258K41.3Very low41.8Very low184 Ų18498 Ų9880%0.858%0.584SS**SBendtrans-90.8-15.5-175.6-67.7-178.8-178.5177.30114.7T256T256-K258 PolarHBondContact O-N 2.74Å
259K39.1Very low43.1Very low151 Ų15197.5 Ų97.566%0.65758%0.576SS**SBendtrans-145.8142176.4-75.2-174.6179174.90111.1
260L43.4Very low44.2Very low95 Ų9597.2 Ų97.250%0.49757%0.569SS.*PPolyproline II helixtrans-79.6149.4172.6-78.8161.1000111I265 L270L260-I265 HydrophobicContact CD2-CD1 4.33Å; L260-L270 HydrophobicContact CD1-CD1 3.77Å
261P36.1Very low45.1Very low47 Ų4796.1 Ų96.131%0.30557%0.572SS.*PPolyproline II helixtrans-66.6148.7177.627.4-33.3000111.9Y254 G263 G264Y254-P261 HydrophobicContact CD1-CB 4.31Å; Y254-P261 HydrophobicContact CE1-CB 4.35Å; P261-G263 PolarHBondContact O-N 2.95Å; P261-G264 PolarHBondContact O-N 3.29Å
262P33.8Very low46.3Very low113 Ų11393 Ų9373%0.73456%0.563SS**THydrogen-bonded Turntrans-65.8118176.625.7-30.1000109.7
263G44.9Very low47.4Very low84 Ų8494.7 Ų94.787%0.86657%0.572SS**THydrogen-bonded Turntrans120.7-8.4-177.800000115.2P261P261-G263 PolarHBondContact O-N 2.95Å
264G48.1Very low48.8Very low38 Ų3896.4 Ų96.439%0.39258%0.578SS.*  trans68.6173.5-174.900000112.5P261P261-G264 PolarHBondContact O-N 3.29Å
265I50Low49.5Very low62 Ų6296.1 Ų96.132%0.31858%0.579SS.*  trans-93.2122.9176-56.5173.9000107.1L260 G267 I268 F279L260-I265 HydrophobicContact CD2-CD1 4.33Å; I265-G267 PolarHBondContact O-N 2.93Å; I265-G267 VanDerWaalsContact O-N 3.13Å; I265-I268 HydrophobicContact CB-CD1 4.23Å; I265-I268 HydrophobicContact CD1-CD1 4.35Å; I265-I268 HydrophobicContact CG2-CD1 3.86Å; I265-I268 HydrophobicContact CG2-CG1 4.26Å; I265-I268 PolarHBondContact O-N 3.11Å; I265-F279 HydrophobicContact CD1-CD2 4.47Å; I265-F279 HydrophobicContact CD1-CE2 3.6Å; I265-F279 HydrophobicContact CD1-CZ 3.73Å
266P39.7Very low50.6Low129 Ų12992.2 Ų92.284%0.83856%0.561SS**THydrogen-bonded Turntrans-55.9120.6179.8-23.132000111
267G51.6Low51.5Low78 Ų7890.1 Ų90.180%0.80455%0.553SS**THydrogen-bonded Turntrans93.75.1174.300000117I265I265-G267 PolarHBondContact O-N 2.93Å; I265-G267 VanDerWaalsContact O-N 3.13Å
268I54.9Low52.5Low46 Ų4692.1 Ų92.124%0.23654%0.543CS..  trans-116114.7174.7-54.2179.9000109.9I265 L270 Q275 F279I265-I268 HydrophobicContact CB-CD1 4.23Å; I265-I268 HydrophobicContact CD1-CD1 4.35Å; I265-I268 HydrophobicContact CG2-CD1 3.86Å; I265-I268 HydrophobicContact CG2-CG1 4.26Å; I265-I268 PolarHBondContact O-N 3.11Å; I268-L270 HydrophobicContact CG2-CD2 4.45Å; I268-L270 PolarHBondContact O-N 3.34Å; I268-Q275 HydrophobicContact CG2-CB 4.36Å; I268-F279 HydrophobicContact CD1-CD2 3.89Å; I268-F279 HydrophobicContact CD1-CE2 4.34Å
269D58.1Low53.2Low90 Ų9087.3 Ų87.348%0.48152%0.522SS..  trans-83106.7172.8-1761.5000110.2S271 D272D269-S271 PolarHBondContact O-N 3.47Å; D269-S271 WeakPolarHBondContact OD1-CB 3.45Å; D269-S271 PolarHBondContact OD1-N 2.93Å; D269-S271 PolarHBondContact OD1-OG 3.4Å; D269-D272 PolarHBondContact O-N 3.42Å
270L55.4Low54.2Low78 Ų7884 Ų8441%0.40852%0.523SS..THydrogen-bonded Turntrans-71.5-7.9-179.9-64.4169.6000113.4L260 I268 L276L260-L270 HydrophobicContact CD1-CD1 3.77Å; I268-L270 HydrophobicContact CG2-CD2 4.45Å; I268-L270 PolarHBondContact O-N 3.34Å; L270-L276 HydrophobicContact CD2-CD1 4.16Å
271S57Low55.1Low103 Ų10389.6 Ų89.672%0.7254%0.538SS*.THydrogen-bonded Turntrans-83-18.2175-30.60000112D269 P273D269-S271 PolarHBondContact O-N 3.47Å; D269-S271 WeakPolarHBondContact OD1-CB 3.45Å; D269-S271 PolarHBondContact OD1-N 2.93Å; D269-S271 PolarHBondContact OD1-OG 3.4Å; S271-P273 WeakPolarHBondContact O-CD 3.48Å
272D64.3Low56Low59 Ų5993.1 Ų93.132%0.31655%0.552SS.*  trans-89.2111.4176.2-175.2-10.7000110.3D269 K274 Q275 L276D269-D272 PolarHBondContact O-N 3.42Å; D272-K274 PolarHBondContact O-N 3.02Å; D272-K274 VanDerWaalsContact O-N 3.09Å; D272-K274 WeakPolarHBondContact OD1-CB 3.33Å; D272-K274 PolarHBondContact OD1-N 3.29Å; D272-Q275 HydrophobicContact CB-CB 4.1Å; D272-Q275 HydrophobicContact CB-CG 3.98Å; D272-Q275 PolarHBondContact O-N 2.93Å; D272-Q275 VanDerWaalsContact O-N 3.14Å; D272-L276 PolarHBondContact O-N 3.18Å
273P66.4Low56.8Low102 Ų10296.6 Ų96.666%0.66256%0.555SS**Hα-helixtrans-62.4-18-18023.1-31.5000113.6S271 A277S271-P273 WeakPolarHBondContact O-CD 3.48Å; P273-A277 WeakPolarHBondContact O-CB 3.36Å; P273-A277 PolarHBondContact O-N 3.42Å; P273-A277 VanDerWaalsContact O-N 3.07Å
274K66.8Low56.9Low165 Ų16598.2 Ų98.272%0.71755%0.55SS**Hα-helixtrans-75.6-45.3173.4-66.4179.9180175.30111.8D272 L276 A277 E278D272-K274 PolarHBondContact O-N 3.02Å; D272-K274 VanDerWaalsContact O-N 3.09Å; D272-K274 WeakPolarHBondContact OD1-CB 3.33Å; D272-K274 PolarHBondContact OD1-N 3.29Å; K274-L276 VanDerWaalsContact C-N 3.35Å; K274-A277 PolarHBondContact O-N 3.41Å; K274-E278 WeakPolarHBondContact O-CB 3.27Å; K274-E278 PolarHBondContact O-N 3.47Å
275Q60.3Low56.6Low70 Ų70107.6 Ų107.633%0.32757%0.574SS.*Hα-helixtrans-63.8-41.2175.8-72-91-22.800111.1I268 D272 E278 F279I268-Q275 HydrophobicContact CG2-CB 4.36Å; D272-Q275 HydrophobicContact CB-CB 4.1Å; D272-Q275 HydrophobicContact CB-CG 3.98Å; D272-Q275 PolarHBondContact O-N 2.93Å; D272-Q275 VanDerWaalsContact O-N 3.14Å; Q275-E278 PolarHBondContact O-N 3.19Å; Q275-F279 WeakPolarHBondContact O-CB 3.45Å; Q275-F279 PolarHBondContact O-N 3.39Å
276L60.8Low56.1Low84 Ų84114 Ų11444%0.4460%0.599SS.*Hα-helixtrans-65.5-40.9175.2-174.562.9000112.3L270 D272 K274 E278 A280L270-L276 HydrophobicContact CD2-CD1 4.16Å; D272-L276 PolarHBondContact O-N 3.18Å; K274-L276 VanDerWaalsContact C-N 3.35Å; L276-E278 VanDerWaalsContact C-N 3.34Å; L276-A280 VanDerWaalsContact O-CB 3.28Å; L276-A280 WeakPolarHBondContact O-CB 3.38Å; L276-A280 PolarHBondContact O-N 3.01Å
277A66.4Low56.2Low43 Ų43113.8 Ų113.836%0.35559%0.59SS.*Hα-helixtrans-68.8-31.9175.300000112.5P273 K274 R281P273-A277 WeakPolarHBondContact O-CB 3.36Å; P273-A277 PolarHBondContact O-N 3.42Å; P273-A277 VanDerWaalsContact O-N 3.07Å; K274-A277 PolarHBondContact O-N 3.41Å; A277-R281 WeakPolarHBondContact O-CB 3.43Å; A277-R281 WeakPolarHBondContact O-CD 3.27Å; A277-R281 WeakPolarHBondContact O-CG 3.39Å; A277-R281 PolarHBondContact O-N 3.03Å; A277-R281 VanDerWaalsContact O-N 3.08Å
278E63Low55.9Low114 Ų114116.9 Ų116.953%0.53358%0.581SS.*Hα-helixtrans-70.6-44.4174.9-168.4173.5175.800111.4K274 Q275 L276 R281 M282K274-E278 WeakPolarHBondContact O-CB 3.27Å; K274-E278 PolarHBondContact O-N 3.47Å; Q275-E278 PolarHBondContact O-N 3.19Å; L276-E278 VanDerWaalsContact C-N 3.34Å; E278-R281 CarbonylContact O-C 3.53Å; E278-R281 WeakPolarHBondContact O-CB 3.42Å; E278-R281 PolarHBondContact O-N 3.46Å; E278-R281 VanDerWaalsContact O-N 3.1Å; E278-M282 PolarHBondContact O-N 3.42Å
279F57.5Low55.6Low83 Ų83124 Ų12436%0.36461%0.613SS.*Hα-helixtrans-61.4-43.6172.3-173.7-99.4000111.9I265 I268 Q275 R281 M282I265-F279 HydrophobicContact CD1-CD2 4.47Å; I265-F279 HydrophobicContact CD1-CE2 3.6Å; I265-F279 HydrophobicContact CD1-CZ 3.73Å; I268-F279 HydrophobicContact CD1-CD2 3.89Å; I268-F279 HydrophobicContact CD1-CE2 4.34Å; Q275-F279 WeakPolarHBondContact O-CB 3.45Å; Q275-F279 PolarHBondContact O-N 3.39Å; F279-R281 PolarHBondContact O-N 3.42Å; F279-M282 WeakPolarHBondContact O-CB 3.36Å; F279-M282 PolarHBondContact O-N 3.48Å; F279-M282 VanDerWaalsContact O-N 3.11Å
280A59.6Low55.1Low82 Ų82126.2 Ų126.268%0.67863%0.625SS**Hα-helixtrans-65.8-20.9175.200000113.4L276L276-A280 VanDerWaalsContact O-CB 3.28Å; L276-A280 WeakPolarHBondContact O-CB 3.38Å; L276-A280 PolarHBondContact O-N 3.01Å
281R62Low54.9Low211 Ų211127.5 Ų127.580%0.79663%0.633SS**Hα-helixtrans-90.5-14.5174.5-76170.8174.8-165-0.9113.2A277 E278 F279 K283A277-R281 WeakPolarHBondContact O-CB 3.43Å; A277-R281 WeakPolarHBondContact O-CD 3.27Å; A277-R281 WeakPolarHBondContact O-CG 3.39Å; A277-R281 PolarHBondContact O-N 3.03Å; A277-R281 VanDerWaalsContact O-N 3.08Å; E278-R281 CarbonylContact O-C 3.53Å; E278-R281 WeakPolarHBondContact O-CB 3.42Å; E278-R281 PolarHBondContact O-N 3.46Å; E278-R281 VanDerWaalsContact O-N 3.1Å; F279-R281 PolarHBondContact O-N 3.42Å; R281-K283 PolarHBondContact O-N 3.31Å
282M56.1Low54.7Low122 Ų122125.7 Ų125.760%0.60162%0.624SS**SBendtrans-66.1104169.2-70.6-166.5-17400108.2E278 F279E278-M282 PolarHBondContact O-N 3.42Å; F279-M282 WeakPolarHBondContact O-CB 3.36Å; F279-M282 PolarHBondContact O-N 3.48Å; F279-M282 VanDerWaalsContact O-N 3.11Å
283K49.3Very low54.4Low186 Ų186127.9 Ų127.981%0.80964%0.641SS**PPolyproline II helixtrans-60.7136.3168.3-66.8179.6-178.3178.20107.2R281 R285R281-K283 PolarHBondContact O-N 3.31Å; K283-R285 PolarHBondContact O-N 3.25Å; K283-R285 VanDerWaalsContact O-N 3.08Å
284P47.5Very low54.3Low117 Ų117134.1 Ų134.176%0.7665%0.652SS**PPolyproline II helixtrans-50.8126.5170.121.3-30.9000107K286P284-K286 PolarHBondContact O-N 2.92Å
285R41Very low55.1Low235 Ų235129.3 Ų129.389%0.88764%0.636SS**PPolyproline II helixtrans-52.4119.4170.7-85.4-174.4170.7-138.71.2105.3K283 I287K283-R285 PolarHBondContact O-N 3.25Å; K283-R285 VanDerWaalsContact O-N 3.08Å; R285-I287 PolarHBondContact O-N 3.22Å
286K41Very low56.4Low197 Ų197128.7 Ų128.786%0.85763%0.634SS**  trans-61.199165.4-70.7-174.7178.3-172.30104.8P284 K288P284-K286 PolarHBondContact O-N 2.92Å; K286-K288 PolarHBondContact O-N 3.25Å
287I41Very low57.9Low124 Ų124127.7 Ų127.764%0.63664%0.639SS**  trans-54.7112161.7-59.2178.3000102.7R285 D291R285-I287 PolarHBondContact O-N 3.22Å; I287-D291 HydrophobicContact CG2-CB 3.58Å
288K45.7Very low59.2Low144 Ų144126.2 Ų126.263%0.62663%0.625SS**  trans-61.8144.1172.9-66.6176.7-177.8175.40104.8K286 D290 D291K286-K288 PolarHBondContact O-N 3.25Å; K288-D290 HydrophobicContact CB-CB 4.34Å; K288-D290 PolarHBondContact O-N 3.18Å; K288-D291 PolarHBondContact N-OD2 2.92Å; K288-D291 PolarHBondContact O-N 3.48Å
289E48.1Very low60.5Low194 Ų194125.2 Ų125.291%0.90763%0.629SS**G310 helixtrans-54-15.7177.7-69.5174.5156.600112.2D291E289-D291 PolarHBondContact O-N 3.48Å
290D48.8Very low62.1Low137 Ų137125.1 Ų125.173%0.73363%0.63SS**G310 helixtrans-73.9-11.1173.4-49.3-48.6000115.9K288K288-D290 HydrophobicContact CB-CB 4.34Å; K288-D290 PolarHBondContact O-N 3.18Å
291D49.4Very low63.6Low106 Ų106130.7 Ų130.757%0.56764%0.638SS**G310 helixtrans-99.13.2-177.5-66.6-42.5000113.1I287 K288 E289I287-D291 HydrophobicContact CG2-CB 3.58Å; K288-D291 PolarHBondContact N-OD2 2.92Å; K288-D291 PolarHBondContact O-N 3.48Å; E289-D291 PolarHBondContact O-N 3.48Å
292A53.9Low65Low64 Ų64124.4 Ų124.453%0.52964%0.639SS.*SBendtrans-60.8130.417100000108.8R294A292-R294 PolarHBondContact O-N 3.45Å
293P57.3Low66.8Low106 Ų106119.7 Ų119.769%0.68862%0.618SS**  trans-57.7115.9178.321.9-30.1000107.5T295P293-T295 VanDerWaalsContact C-N 3.25Å; P293-T295 HydrophobicContact CB-CG2 4.48Å; P293-T295 WeakPolarHBondContact O-CG2 3.29Å; P293-T295 PolarHBondContact O-N 3.23Å; P293-T295 PolarHBondContact O-OG1 3.45Å
294R65.7Low68.9Low232 Ų232117.3 Ų117.388%0.87562%0.619SS**  trans-58.996.2174.8-72.3-177.4179.1175.7-0.5107A292A292-R294 PolarHBondContact O-N 3.45Å
295T83.3Confident71Confident64 Ų64117.3 Ų117.339%0.39361%0.607SS.*PPolyproline II helixtrans-97.1138.9-177.735.60000107.6P293 M306 F307P293-T295 VanDerWaalsContact C-N 3.25Å; P293-T295 HydrophobicContact CB-CG2 4.48Å; P293-T295 WeakPolarHBondContact O-CG2 3.29Å; P293-T295 PolarHBondContact O-N 3.23Å; P293-T295 PolarHBondContact O-OG1 3.45Å; T295-M306 VanDerWaalsContact CB-CE 3.48Å; T295-M306 HydrophobicContact CG2-CE 4.32Å; T295-M306 WeakPolarHBondContact OG1-CE 3.41Å; T295-F307 CarbonylContact C-O 3.46Å; T295-F307 WeakPolarHBondContact CA-O 3.41Å
296I88Confident73.5Confident57 Ų57111.7 Ų111.729%0.29259%0.592SS.*EExtended strand (participates in β ladder)trans-100.5118.6-174.3-62.3160.7000107.2M306 F307 D309 N310 M313I296-M306 CarbonylContact O-C 3.25Å; I296-M306 WeakPolarHBondContact O-CA 3.37Å; I296-F307 PolarHBondContact N-O 3.47Å; I296-F307 WeakPolarHBondContact O-CD2 3.44Å; I296-F307 PolarHBondContact O-N 3.2Å; I296-D309 VanDerWaalsContact CD1-C 3.45Å; I296-N310 HydrophobicContact CD1-CB 3.82Å; I296-N310 VanDerWaalsContact CD1-N 3.25Å; I296-M313 HydrophobicContact CG2-CB 4.13Å; I296-M313 HydrophobicContact CG2-CE 4.23Å; I296-M313 HydrophobicContact CG2-CG 3.95Å
297A91.4Very high75.8Confident64 Ų64103.9 Ų103.953%0.52956%0.559SS.*EExtended strand (participates in β ladder)trans-74.3149.5175.300000111P299 M306A297-P299 WeakPolarHBondContact O-CD 3.37Å; A297-M306 HydrophobicContact CB-CG 4.48Å
298C93.6Very high78.1Confident11 Ų11108.4 Ų108.47%0.07457%0.568CS.*PPolyproline II helixtrans-65129.6171-172.90000110.4H300 C303 K305 F307C298-H300 PolarHBondContact O-N 3.08Å; C298-H300 PolarHBondContact SG-N 3.28Å; C298-C303 HydrophobicContact CB-CB 3.91Å; C298-K305 PolarHBondContact N-O 2.58Å; C298-F307 HydrophobicContact CB-CE2 4.25Å
299P90Very high80.1Confident94 Ų94105.2 Ų105.261%0.6156%0.557SS**  trans-68.9-16.3175-21.433000114.3A297 K301 M313A297-P299 WeakPolarHBondContact O-CD 3.37Å; P299-K301 PolarHBondContact O-N 3.5Å; P299-M313 WeakPolarHBondContact CD-SD 3.25Å; P299-M313 HydrophobicContact CG-CE 4.5Å; P299-M313 HydrophobicContact CG-SD 4.01Å
300H91.6Very high81.9Confident81 Ų8199.3 Ų99.338%0.37553%0.532SS..SBendtrans-66.8127.8-175.8-173.980.3000111.2C298 G302 C303 L317 H320C298-H300 PolarHBondContact O-N 3.08Å; C298-H300 PolarHBondContact SG-N 3.28Å; H300-G302 PolarHBondContact O-N 2.99Å; H300-C303 HydrophobicContact CB-CB 3.99Å; H300-C303 WeakPolarHBondContact O-CB 3.34Å; H300-C303 PolarHBondContact O-N 3.33Å; H300-L317 HydrophobicContact CB-CD1 4.23Å; H300-H320 HydrophobicContact CB-CB 4.27Å; H300-H320 VanDerWaalsContact CB-CD2 3.48Å; H300-H320 WeakPolarHBondContact CB-CD2 3.49Å; H300-H320 AromaticContact CD2-CE1 3.74Å; H300-H320 AromaticContact CD2-CG 3.66Å; H300-H320 AromaticContact CD2-ND1 3.42Å; H300-H320 PolarHBondContact CD2-ND1 3.2Å; H300-H320 AromaticContact CG-CD2 3.71Å; H300-H320 AromaticContact CG-CG 3.45Å; H300-H320 VanDerWaalsContact CG-CG 3.45Å; H300-H320 AromaticContact CG-ND1 3.73Å; H300-H320 WeakPolarHBondContact ND1-CB 3.42Å; H300-H320 AromaticContact ND1-CG 3.77Å; H300-H320 AromaticContact NE2-ND1 3.77Å
301K91.8Very high83.8Confident198 Ų19896.1 Ų96.186%0.86152%0.52SS*.THydrogen-bonded Turntrans-59.3122.2-178.5-174.5-177.1177.3-174.30110.3P299 C303P299-K301 PolarHBondContact O-N 3.5Å; K301-C303 VanDerWaalsContact C-N 3.33Å
302G90.9Very high85.8Confident79 Ų7992.8 Ų92.881%0.81451%0.508SS*.THydrogen-bonded Turntrans87.2-3.2-178.700000114.6H300H300-G302 PolarHBondContact O-N 2.99Å
303C93.2Very high87.6Confident24 Ų2490.4 Ų90.416%0.16249%0.486CS..  trans-87.7122.1170.1-169.30000110.8C298 H300 K301 H316 H320C298-C303 HydrophobicContact CB-CB 3.91Å; H300-C303 HydrophobicContact CB-CB 3.99Å; H300-C303 WeakPolarHBondContact O-CB 3.34Å; H300-C303 PolarHBondContact O-N 3.33Å; K301-C303 VanDerWaalsContact C-N 3.33Å; C303-H316 PolarHBondContact SG-NE2 3.41Å; C303-H320 PolarHBondContact SG-NE2 3.39Å; C303-H320 VanDerWaalsContact SG-NE2 3.4Å
304T93Very high89.1Confident135 Ų13593 Ų9383%0.82848%0.482SS*.  trans-96.97.6178.8570000113.3
305K92.7Very high90.2Very high118 Ų11889.4 Ų89.451%0.51347%0.473SS..  trans-72.3141.9-176-64.4-161.3-174.4-165.90111.7C298 F307C298-K305 PolarHBondContact N-O 2.58Å; K305-F307 HydrophobicContact CB-CE2 3.7Å; K305-F307 HydrophobicContact CB-CZ 3.7Å; K305-F307 HydrophobicContact CD-CZ 4.22Å
306M92.9Very high90.6Very high116 Ų11687.2 Ų87.257%0.57146%0.458SS*.EExtended strand (participates in β ladder)trans-124.6146178.1-65.4174.753.500110.1T295 I296 A297T295-M306 VanDerWaalsContact CB-CE 3.48Å; T295-M306 HydrophobicContact CG2-CE 4.32Å; T295-M306 WeakPolarHBondContact OG1-CE 3.41Å; I296-M306 CarbonylContact O-C 3.25Å; I296-M306 WeakPolarHBondContact O-CA 3.37Å; A297-M306 HydrophobicContact CB-CG 4.48Å
307F90.4Very high90.6Very high34 Ų3487.7 Ų87.715%0.14946%0.461CS..EExtended strand (participates in β ladder)trans-128.1152.8-171.6-61-85.3000111.1T295 I296 C298 K305 D309 A312 M313 H316T295-F307 CarbonylContact C-O 3.46Å; T295-F307 WeakPolarHBondContact CA-O 3.41Å; I296-F307 PolarHBondContact N-O 3.47Å; I296-F307 WeakPolarHBondContact O-CD2 3.44Å; I296-F307 PolarHBondContact O-N 3.2Å; C298-F307 HydrophobicContact CB-CE2 4.25Å; K305-F307 HydrophobicContact CB-CE2 3.7Å; K305-F307 HydrophobicContact CB-CZ 3.7Å; K305-F307 HydrophobicContact CD-CZ 4.22Å; F307-D309 VanDerWaalsContact C-N 3.34Å; F307-D309 WeakPolarHBondContact CB-O 3.4Å; F307-A312 HydrophobicContact CB-CB 4.3Å; F307-A312 HydrophobicContact CD1-CB 3.93Å; F307-A312 HydrophobicContact CG-CB 4.48Å; F307-M313 HydrophobicContact CB-CB 3.87Å; F307-M313 HydrophobicContact CD2-CB 3.57Å; F307-M313 HydrophobicContact CD2-CG 3.69Å; F307-M313 HydrophobicContact CE2-CB 4.39Å; F307-M313 HydrophobicContact CE2-CG 4.24Å; F307-M313 HydrophobicContact CG-CB 3.73Å; F307-M313 HydrophobicContact CG-CG 4.37Å; F307-H316 HydrophobicContact CD1-CB 4.48Å; F307-H316 HydrophobicContact CE1-CB 3.52Å; F307-H316 AromaticContact CE1-CG 3.91Å; F307-H316 HydrophobicContact CE2-CB 4Å; F307-H316 AromaticContact CE2-CD2 3.41Å; F307-H316 VanDerWaalsContact CE2-CD2 3.41Å; F307-H316 WeakPolarHBondContact CE2-CD2 3.44Å; F307-H316 AromaticContact CE2-CG 3.87Å; F307-H316 HydrophobicContact CZ-CB 3.26Å; F307-H316 AromaticContact CZ-CD2 3.17Å; F307-H316 WeakPolarHBondContact CZ-CD2 3.44Å; F307-H316 AromaticContact CZ-CG 3.17Å
308R88.9Confident90.3Very high218 Ų21889.1 Ų89.182%0.82346%0.456SS*.SBendtrans-73.4-30.5177.5-63.8-178.6-178.2130.2-0.9112.2
309D87.4Confident90.1Very high77 Ų7791.7 Ų91.741%0.41247%0.472SS..SBendtrans-144.1167.1-178.16565.1000111.6I296 F307 S311 A312 M313I296-D309 VanDerWaalsContact CD1-C 3.45Å; F307-D309 VanDerWaalsContact C-N 3.34Å; F307-D309 WeakPolarHBondContact CB-O 3.4Å; D309-S311 VanDerWaalsContact C-N 3.33Å; D309-S311 WeakPolarHBondContact OD1-CA 3.4Å; D309-S311 VanDerWaalsContact OD1-CB 3.31Å; D309-S311 WeakPolarHBondContact OD1-CB 3.27Å; D309-S311 PolarHBondContact OD1-N 2.94Å; D309-A312 WeakPolarHBondContact OD1-CB 3.42Å; D309-A312 PolarHBondContact OD1-N 3.22Å; D309-M313 PolarHBondContact O-N 3.44Å
310N86.8Confident90.1Very high71 Ų7190.2 Ų90.238%0.3846%0.457SS..Hα-helixtrans-73.1-27.9-175.9-160.7-16.2000111.5I296 M313 R314I296-N310 HydrophobicContact CD1-CB 3.82Å; I296-N310 VanDerWaalsContact CD1-N 3.25Å; N310-M313 PolarHBondContact O-N 3.07Å; N310-M313 WeakPolarHBondContact OD1-CE 3.36Å; N310-R314 WeakPolarHBondContact O-CB 3.26Å; N310-R314 WeakPolarHBondContact O-CG 3.38Å; N310-R314 PolarHBondContact O-N 2.88Å
311S88.8Confident89.9Confident69 Ų6987.6 Ų87.648%0.48345%0.451SS..Hα-helixtrans-65.8-48.6178.2-174.50000110.7D309 M313 R314 K315D309-S311 VanDerWaalsContact C-N 3.33Å; D309-S311 WeakPolarHBondContact OD1-CA 3.4Å; D309-S311 VanDerWaalsContact OD1-CB 3.31Å; D309-S311 WeakPolarHBondContact OD1-CB 3.27Å; D309-S311 PolarHBondContact OD1-N 2.94Å; S311-M313 VanDerWaalsContact C-N 3.32Å; S311-M313 PolarHBondContact O-N 2.83Å; S311-R314 PolarHBondContact O-N 3.21Å; S311-K315 WeakPolarHBondContact O-CG 3.49Å; S311-K315 PolarHBondContact O-N 3.13Å
312A90.4Very high89.7Confident36 Ų3683 Ų8330%0.29844%0.442SS..Hα-helixtrans-61.7-4017500000111.7F307 D309 H316F307-A312 HydrophobicContact CB-CB 4.3Å; F307-A312 HydrophobicContact CD1-CB 3.93Å; F307-A312 HydrophobicContact CG-CB 4.48Å; D309-A312 WeakPolarHBondContact OD1-CB 3.42Å; D309-A312 PolarHBondContact OD1-N 3.22Å; A312-H316 WeakPolarHBondContact O-CB 3.45Å; A312-H316 PolarHBondContact O-N 3.18Å
313M92.4Very high89.8Confident15 Ų1586.1 Ų86.17%0.07443%0.429CS..Hα-helixtrans-64.5-45.4174.6-176-78.7-59.200111.9I296 P299 F307 D309 N310 S311 H316 L317I296-M313 HydrophobicContact CG2-CB 4.13Å; I296-M313 HydrophobicContact CG2-CE 4.23Å; I296-M313 HydrophobicContact CG2-CG 3.95Å; P299-M313 WeakPolarHBondContact CD-SD 3.25Å; P299-M313 HydrophobicContact CG-CE 4.5Å; P299-M313 HydrophobicContact CG-SD 4.01Å; F307-M313 HydrophobicContact CB-CB 3.87Å; F307-M313 HydrophobicContact CD2-CB 3.57Å; F307-M313 HydrophobicContact CD2-CG 3.69Å; F307-M313 HydrophobicContact CE2-CB 4.39Å; F307-M313 HydrophobicContact CE2-CG 4.24Å; F307-M313 HydrophobicContact CG-CB 3.73Å; F307-M313 HydrophobicContact CG-CG 4.37Å; D309-M313 PolarHBondContact O-N 3.44Å; N310-M313 PolarHBondContact O-N 3.07Å; N310-M313 WeakPolarHBondContact OD1-CE 3.36Å; S311-M313 VanDerWaalsContact C-N 3.32Å; S311-M313 PolarHBondContact O-N 2.83Å; M313-H316 CarbonylContact O-C 3.6Å; M313-H316 WeakPolarHBondContact O-CB 3.46Å; M313-H316 PolarHBondContact O-N 2.79Å; M313-H316 VanDerWaalsContact O-N 3.17Å; M313-L317 PolarHBondContact O-N 3.17Å; M313-L317 HydrophobicContact SD-CB 4.5Å
314R88.4Confident89.7Confident160 Ų16089.4 Ų89.460%0.60445%0.448SS*.Hα-helixtrans-62.3-44.5177.2-80.6-177.9179.1157.1-1.9112.1N310 S311 H316 L317 H318N310-R314 WeakPolarHBondContact O-CB 3.26Å; N310-R314 WeakPolarHBondContact O-CG 3.38Å; N310-R314 PolarHBondContact O-N 2.88Å; S311-R314 PolarHBondContact O-N 3.21Å; R314-H316 VanDerWaalsContact C-N 3.26Å; R314-H316 PolarHBondContact O-N 2.88Å; R314-L317 WeakPolarHBondContact O-CB 3.34Å; R314-L317 PolarHBondContact O-N 3.04Å; R314-L317 VanDerWaalsContact O-N 3.08Å; R314-H318 PolarHBondContact O-N 3.36Å
315K88.1Confident89.8Confident156 Ų15685.8 Ų85.868%0.67842%0.421SS*.Hα-helixtrans-58.2-41.5173.3-72.2-178.6-178.3-170.30111S311 H318S311-K315 WeakPolarHBondContact O-CG 3.49Å; S311-K315 PolarHBondContact O-N 3.13Å; K315-H318 WeakPolarHBondContact O-CB 3.36Å; K315-H318 PolarHBondContact O-N 3.24Å
316H91Very high90Very high18 Ų1884 Ų848%0.08342%0.42CS..Hα-helixtrans-66.3-38.4173.9171.256000113.1C303 F307 A312 M313 R314 H318 T319 H320C303-H316 PolarHBondContact SG-NE2 3.41Å; F307-H316 HydrophobicContact CD1-CB 4.48Å; F307-H316 HydrophobicContact CE1-CB 3.52Å; F307-H316 AromaticContact CE1-CG 3.91Å; F307-H316 HydrophobicContact CE2-CB 4Å; F307-H316 AromaticContact CE2-CD2 3.41Å; F307-H316 VanDerWaalsContact CE2-CD2 3.41Å; F307-H316 WeakPolarHBondContact CE2-CD2 3.44Å; F307-H316 AromaticContact CE2-CG 3.87Å; F307-H316 HydrophobicContact CZ-CB 3.26Å; F307-H316 AromaticContact CZ-CD2 3.17Å; F307-H316 WeakPolarHBondContact CZ-CD2 3.44Å; F307-H316 AromaticContact CZ-CG 3.17Å; A312-H316 WeakPolarHBondContact O-CB 3.45Å; A312-H316 PolarHBondContact O-N 3.18Å; M313-H316 CarbonylContact O-C 3.6Å; M313-H316 WeakPolarHBondContact O-CB 3.46Å; M313-H316 PolarHBondContact O-N 2.79Å; M313-H316 VanDerWaalsContact O-N 3.17Å; R314-H316 VanDerWaalsContact C-N 3.26Å; R314-H316 PolarHBondContact O-N 2.88Å; H316-H318 PolarHBondContact O-N 3.43Å; H316-H318 VanDerWaalsContact O-N 3.15Å; H316-T319 PolarHBondContact CE1-OG1 3.3Å; H316-T319 PolarHBondContact ND1-OG1 3.25Å; H316-T319 VanDerWaalsContact ND1-OG1 3.11Å; H316-T319 VanDerWaalsContact O-CB 3.32Å; H316-T319 WeakPolarHBondContact O-CB 3.46Å; H316-T319 WeakPolarHBondContact O-CG2 3.46Å; H316-T319 PolarHBondContact O-N 3.47Å; H316-T319 PolarHBondContact O-OG1 3.46Å; H316-H320 AromaticContact CD2-NE2 3.88Å; H316-H320 AromaticContact CE1-CE1 3.94Å; H316-H320 AromaticContact CE1-NE2 3.28Å; H316-H320 PolarHBondContact CE1-NE2 3.27Å; H316-H320 VanDerWaalsContact CE1-NE2 3.28Å; H316-H320 AromaticContact NE2-CD2 3.73Å; H316-H320 AromaticContact NE2-CE1 3.89Å; H316-H320 AromaticContact NE2-NE2 2.93Å; H316-H320 PolarHBondContact NE2-NE2 3.35Å
317L88.8Confident90.2Very high68 Ų6878.6 Ų78.636%0.35639%0.394SS..Hα-helixtrans-57.8-31.9-179.1-17361.9000111.7H300 M313 R314 T319 H320 G321H300-L317 HydrophobicContact CB-CD1 4.23Å; M313-L317 PolarHBondContact O-N 3.17Å; M313-L317 HydrophobicContact SD-CB 4.5Å; R314-L317 WeakPolarHBondContact O-CB 3.34Å; R314-L317 PolarHBondContact O-N 3.04Å; R314-L317 VanDerWaalsContact O-N 3.08Å; L317-T319 PolarHBondContact O-N 3.43Å; L317-H320 PolarHBondContact O-N 3.18Å; L317-G321 PolarHBondContact O-N 3.14Å
318H85.5Confident90.4Very high93 Ų9382 Ų8243%0.43143%0.429SS..Hα-helixtrans-54.4-35.6172.9-170.861.8000112.2R314 K315 H316 H320 G321 V335R314-H318 PolarHBondContact O-N 3.36Å; K315-H318 WeakPolarHBondContact O-CB 3.36Å; K315-H318 PolarHBondContact O-N 3.24Å; H316-H318 PolarHBondContact O-N 3.43Å; H316-H318 VanDerWaalsContact O-N 3.15Å; H318-H320 PolarHBondContact O-N 3.16Å; H318-H320 VanDerWaalsContact O-N 3.11Å; H318-G321 WeakPolarHBondContact O-CA 3.41Å; H318-G321 PolarHBondContact O-N 3.14Å; H318-V335 PolarHBondContact NE2-O 2.99Å; H318-V335 WeakPolarHBondContact O-CG1 3.43Å
319T90.1Very high90.7Very high66 Ų6677.5 Ų77.541%0.40542%0.417SS..THydrogen-bonded Turntrans-63.1-18.6177.6700000114.6H316 L317H316-T319 PolarHBondContact CE1-OG1 3.3Å; H316-T319 PolarHBondContact ND1-OG1 3.25Å; H316-T319 VanDerWaalsContact ND1-OG1 3.11Å; H316-T319 VanDerWaalsContact O-CB 3.32Å; H316-T319 WeakPolarHBondContact O-CB 3.46Å; H316-T319 WeakPolarHBondContact O-CG2 3.46Å; H316-T319 PolarHBondContact O-N 3.47Å; H316-T319 PolarHBondContact O-OG1 3.46Å; L317-T319 PolarHBondContact O-N 3.43Å
320H89.3Confident91.1Very high63 Ų6376.5 Ų76.529%0.29242%0.415SS..THydrogen-bonded Turntrans-97.1-1.4172.3-57-64.5000113H300 C303 H316 L317 H318H300-H320 HydrophobicContact CB-CB 4.27Å; H300-H320 VanDerWaalsContact CB-CD2 3.48Å; H300-H320 WeakPolarHBondContact CB-CD2 3.49Å; H300-H320 AromaticContact CD2-CE1 3.74Å; H300-H320 AromaticContact CD2-CG 3.66Å; H300-H320 AromaticContact CD2-ND1 3.42Å; H300-H320 PolarHBondContact CD2-ND1 3.2Å; H300-H320 AromaticContact CG-CD2 3.71Å; H300-H320 AromaticContact CG-CG 3.45Å; H300-H320 VanDerWaalsContact CG-CG 3.45Å; H300-H320 AromaticContact CG-ND1 3.73Å; H300-H320 WeakPolarHBondContact ND1-CB 3.42Å; H300-H320 AromaticContact ND1-CG 3.77Å; H300-H320 AromaticContact NE2-ND1 3.77Å; C303-H320 PolarHBondContact SG-NE2 3.39Å; C303-H320 VanDerWaalsContact SG-NE2 3.4Å; H316-H320 AromaticContact CD2-NE2 3.88Å; H316-H320 AromaticContact CE1-CE1 3.94Å; H316-H320 AromaticContact CE1-NE2 3.28Å; H316-H320 PolarHBondContact CE1-NE2 3.27Å; H316-H320 VanDerWaalsContact CE1-NE2 3.28Å; H316-H320 AromaticContact NE2-CD2 3.73Å; H316-H320 AromaticContact NE2-CE1 3.89Å; H316-H320 AromaticContact NE2-NE2 2.93Å; H316-H320 PolarHBondContact NE2-NE2 3.35Å; L317-H320 PolarHBondContact O-N 3.18Å; H318-H320 PolarHBondContact O-N 3.16Å; H318-H320 VanDerWaalsContact O-N 3.11Å
321G86.9Confident91.4Very high25 Ų2575.5 Ų75.526%0.25842%0.422SS..SBendtrans-69170.7179.400000112.7L317 H318L317-G321 PolarHBondContact O-N 3.14Å; H318-G321 WeakPolarHBondContact O-CA 3.41Å; H318-G321 PolarHBondContact O-N 3.14Å
322P88.3Confident91.8Very high102 Ų10277.2 Ų77.266%0.66242%0.421SS*.  trans-61.7140.7177.127.6-34.1000110.5V324P322-V324 VanDerWaalsContact C-N 3.28Å; P322-V324 HydrophobicContact CB-CG1 3.87Å; P322-V324 HydrophobicContact CG-CG1 3.88Å; P322-V324 PolarHBondContact O-N 3.31Å
323R92.6Very high91.9Very high145 Ų14576.9 Ų76.955%0.54742%0.417SS..  trans-8375.5176-61.4176.778.2110.1-3.1109A333 F334 V335R323-A333 HydrophobicContact CB-CB 3.71Å; R323-A333 PolarHBondContact NE-O 2.81Å; R323-A333 PolarHBondContact NH2-O 3.23Å; R323-F334 CarbonylContact C-O 3.47Å; R323-F334 VanDerWaalsContact C-O 3.25Å; R323-F334 VanDerWaalsContact CA-O 3.25Å; R323-F334 WeakPolarHBondContact CA-O 3.35Å; R323-V335 HydrophobicContact CG-CG2 3.7Å
324V91.9Very high92Very high92 Ų9277.8 Ų77.856%0.55842%0.421SS*.  trans-79.8-18.9-173.2-61.30000113.6P322 V326 F334P322-V324 VanDerWaalsContact C-N 3.28Å; P322-V324 HydrophobicContact CB-CG1 3.87Å; P322-V324 HydrophobicContact CG-CG1 3.88Å; P322-V324 PolarHBondContact O-N 3.31Å; V324-V326 PolarHBondContact O-N 3.13Å; V324-F334 PolarHBondContact N-O 3.38Å
325H95.1Very high92.2Very high59 Ų5971 Ų7127%0.27340%0.397SS..EExtended strand (participates in β ladder)trans-91.196.1-177.3-60.2-68000110.4A333 F334 V335 S337 L340H325-A333 CarbonylContact O-C 3.54Å; H325-A333 WeakPolarHBondContact O-CA 3.42Å; H325-F334 HydrophobicContact CB-CB 4.35Å; H325-F334 WeakPolarHBondContact CB-O 2.93Å; H325-F334 PolarHBondContact N-O 3.42Å; H325-F334 PolarHBondContact O-N 2.89Å; H325-V335 PolarHBondContact CD2-O 3.28Å; H325-V335 VanDerWaalsContact CD2-O 3.27Å; H325-S337 PolarHBondContact CD2-N 2.88Å; H325-S337 PolarHBondContact NE2-N 3.32Å; H325-L340 HydrophobicContact CB-CB 4.01Å; H325-L340 HydrophobicContact CB-CD2 3.86Å
326V96.3Very high92.3Very high81 Ų8166.4 Ų66.449%0.49138%0.378SS..EExtended strand (participates in β ladder)trans-97.1132.1-176.6-172.90000110.7V324 A328 A333V324-V326 PolarHBondContact O-N 3.13Å; V326-A328 PolarHBondContact O-N 2.78Å; V326-A333 HydrophobicContact CG2-CB 4.03Å
327C96.4Very high92.4Very high2 Ų268.4 Ų68.41%0.01439%0.394CS..  trans-70.2122.5170.1-179.90000109.9E329 G331 K332 L340 H347C327-E329 PolarHBondContact O-N 3.01Å; C327-E329 PolarHBondContact SG-N 2.69Å; C327-G331 WeakPolarHBondContact O-CA 3.44Å; C327-G331 PolarHBondContact O-N 2.83Å; C327-K332 HydrophobicContact CB-CB 4.45Å; C327-K332 WeakPolarHBondContact CB-O 3.33Å; C327-K332 PolarHBondContact N-O 3.42Å; C327-L340 HydrophobicContact CB-CD1 3.64Å; C327-H347 PolarHBondContact SG-NE2 3.42Å
328A95.6Very high92.6Very high107 Ų10768.3 Ų68.388%0.88440%0.399SS*.THydrogen-bonded Turntrans-65.8-27.5178.800000112.9V326V326-A328 PolarHBondContact O-N 2.78Å
329E94.9Very high92.9Very high123 Ų12367.6 Ų67.658%0.57540%0.395SS*.THydrogen-bonded Turntrans-83.6-38.7-173.9-60.6-177-140.300113.1C327 H347C327-E329 PolarHBondContact O-N 3.01Å; C327-E329 PolarHBondContact SG-N 2.69Å; E329-H347 WeakPolarHBondContact OE2-CB 3.4Å; E329-H347 IonicContact OE2-CD2 3.23Å; E329-H347 IonicContact OE2-CE1 3.48Å; E329-H347 IonicContact OE2-CG 2.83Å; E329-H347 IonicContact OE2-ND1 3.01Å; E329-H347 PolarHBondContact OE2-ND1 2.74Å
330C95.4Very high93.2Very high56 Ų5665.6 Ų65.638%0.37838%0.382SS..THydrogen-bonded Turntrans-125.32.6-17770.20000115K332 H343 H347C330-K332 PolarHBondContact O-N 2.99Å; C330-K332 VanDerWaalsContact O-N 3.1Å; C330-K332 VanDerWaalsContact SG-CG 3.59Å; C330-H343 PolarHBondContact SG-NE2 3.34Å; C330-H347 PolarHBondContact SG-NE2 3.18Å; C330-H347 VanDerWaalsContact SG-NE2 3.4Å
331G94.1Very high93.4Very high50 Ų5069.6 Ų69.652%0.51540%0.398SS..  trans69.62179.500000115C327 A333C327-G331 WeakPolarHBondContact O-CA 3.44Å; C327-G331 PolarHBondContact O-N 2.83Å; G331-A333 PolarHBondContact O-N 3.25Å
332K95.4Very high93.7Very high105 Ų10573.5 Ų73.546%0.45741%0.405SS..  trans-64.3123.2177.4-75.3178.6-177.5175.30110.2C327 C330 F334C327-K332 HydrophobicContact CB-CB 4.45Å; C327-K332 WeakPolarHBondContact CB-O 3.33Å; C327-K332 PolarHBondContact N-O 3.42Å; C330-K332 PolarHBondContact O-N 2.99Å; C330-K332 VanDerWaalsContact O-N 3.1Å; C330-K332 VanDerWaalsContact SG-CG 3.59Å; K332-F334 HydrophobicContact CB-CE2 3.84Å; K332-F334 HydrophobicContact CB-CZ 4.05Å; K332-F334 WeakPolarHBondContact O-CD2 3.23Å; K332-F334 VanDerWaalsContact O-CE2 3.31Å; K332-F334 WeakPolarHBondContact O-CE2 3.38Å
333A93.6Very high94.1Very high28 Ų2869.5 Ų69.523%0.23138%0.378CS..EExtended strand (participates in β ladder)trans-95146.1179.600000111.9R323 H325 V326 G331R323-A333 HydrophobicContact CB-CB 3.71Å; R323-A333 PolarHBondContact NE-O 2.81Å; R323-A333 PolarHBondContact NH2-O 3.23Å; H325-A333 CarbonylContact O-C 3.54Å; H325-A333 WeakPolarHBondContact O-CA 3.42Å; V326-A333 HydrophobicContact CG2-CB 4.03Å; G331-A333 PolarHBondContact O-N 3.25Å
334F93.6Very high94.1Very high34 Ų3466.4 Ų66.415%0.14937%0.369CS..EExtended strand (participates in β ladder)trans-132.9150.5179.4-59.1-91.2000110.8R323 V324 H325 K332 K339 L340 H343R323-F334 CarbonylContact C-O 3.47Å; R323-F334 VanDerWaalsContact C-O 3.25Å; R323-F334 VanDerWaalsContact CA-O 3.25Å; R323-F334 WeakPolarHBondContact CA-O 3.35Å; V324-F334 PolarHBondContact N-O 3.38Å; H325-F334 HydrophobicContact CB-CB 4.35Å; H325-F334 WeakPolarHBondContact CB-O 2.93Å; H325-F334 PolarHBondContact N-O 3.42Å; H325-F334 PolarHBondContact O-N 2.89Å; K332-F334 HydrophobicContact CB-CE2 3.84Å; K332-F334 HydrophobicContact CB-CZ 4.05Å; K332-F334 WeakPolarHBondContact O-CD2 3.23Å; K332-F334 VanDerWaalsContact O-CE2 3.31Å; K332-F334 WeakPolarHBondContact O-CE2 3.38Å; F334-K339 HydrophobicContact CB-CB 4.13Å; F334-K339 HydrophobicContact CD1-CB 3.84Å; F334-K339 HydrophobicContact CG-CB 4.2Å; F334-L340 HydrophobicContact CB-CB 4.44Å; F334-L340 HydrophobicContact CD2-CB 3.95Å; F334-L340 HydrophobicContact CD2-CD1 3.91Å; F334-L340 HydrophobicContact CE2-CD1 4.03Å; F334-L340 HydrophobicContact CG-CB 4.4Å; F334-H343 HydrophobicContact CE1-CB 4.14Å; F334-H343 HydrophobicContact CE2-CB 3.89Å; F334-H343 AromaticContact CE2-CD2 3.33Å; F334-H343 WeakPolarHBondContact CE2-CD2 3.43Å; F334-H343 AromaticContact CE2-CG 3.68Å; F334-H343 HydrophobicContact CZ-CB 3.51Å; F334-H343 AromaticContact CZ-CD2 3.45Å; F334-H343 VanDerWaalsContact CZ-CD2 3.45Å; F334-H343 WeakPolarHBondContact CZ-CD2 3.39Å; F334-H343 AromaticContact CZ-CG 3.33Å; F334-H343 AromaticContact CZ-ND1 3.98Å
335V92.7Very high94.3Very high18 Ų1863.4 Ų63.411%0.10935%0.35CS..SBendtrans-72-39.2175.8175.20000111.4H318 R323 H325H318-V335 PolarHBondContact NE2-O 2.99Å; H318-V335 WeakPolarHBondContact O-CG1 3.43Å; R323-V335 HydrophobicContact CG-CG2 3.7Å; H325-V335 PolarHBondContact CD2-O 3.28Å; H325-V335 VanDerWaalsContact CD2-O 3.27Å
336E90.6Very high94.2Very high59 Ų5963.6 Ų63.628%0.27636%0.355SS..SBendtrans-113.4138-174.8-68.3164.2-158.100110.2S338 K339 L340E336-S338 VanDerWaalsContact C-N 3.29Å; E336-S338 PolarHBondContact O-N 2.94Å; E336-K339 HydrophobicContact CB-CB 4.41Å; E336-K339 HydrophobicContact CB-CG 3.81Å; E336-K339 WeakPolarHBondContact O-CB 3.33Å; E336-K339 PolarHBondContact O-N 3.3Å; E336-K339 VanDerWaalsContact O-N 3.14Å; E336-K339 WeakPolarHBondContact OE2-CE 3.46Å; E336-L340 PolarHBondContact O-N 2.86Å
337S92.8Very high94.1Very high60 Ų6062.9 Ų62.942%0.4235%0.346SS..Hα-helixtrans-61.8-36.3177.863.10000112.5H325 K339 L340 K341H325-S337 PolarHBondContact CD2-N 2.88Å; H325-S337 PolarHBondContact NE2-N 3.32Å; S337-K339 PolarHBondContact O-N 3.13Å; S337-L340 WeakPolarHBondContact O-CB 3.39Å; S337-L340 PolarHBondContact O-N 3.41Å; S337-L340 VanDerWaalsContact O-N 3.11Å; S337-K341 PolarHBondContact O-N 3.35Å
338S92.7Very high94Very high66 Ų6666.5 Ų66.546%0.46237%0.369SS..Hα-helixtrans-60.9-33.6176.665.10000112.2E336 R342E336-S338 VanDerWaalsContact C-N 3.29Å; E336-S338 PolarHBondContact O-N 2.94Å; S338-R342 VanDerWaalsContact O-CB 3.27Å; S338-R342 WeakPolarHBondContact O-CB 3.46Å; S338-R342 PolarHBondContact O-N 3.12Å
339K93.7Very high93.8Very high78 Ų7863.2 Ų63.234%0.33935%0.346SS..Hα-helixtrans-71.7-37.4175.7-58.9-68.3178.7-172.20111.3F334 E336 S337 H343F334-K339 HydrophobicContact CB-CB 4.13Å; F334-K339 HydrophobicContact CD1-CB 3.84Å; F334-K339 HydrophobicContact CG-CB 4.2Å; E336-K339 HydrophobicContact CB-CB 4.41Å; E336-K339 HydrophobicContact CB-CG 3.81Å; E336-K339 WeakPolarHBondContact O-CB 3.33Å; E336-K339 PolarHBondContact O-N 3.3Å; E336-K339 VanDerWaalsContact O-N 3.14Å; E336-K339 WeakPolarHBondContact OE2-CE 3.46Å; S337-K339 PolarHBondContact O-N 3.13Å; K339-H343 VanDerWaalsContact O-CB 3.27Å; K339-H343 WeakPolarHBondContact O-CB 3.34Å; K339-H343 PolarHBondContact O-N 2.78Å
340L95.4Very high93.8Very high25 Ų2562.8 Ų62.813%0.13134%0.343CS..Hα-helixtrans-64.3-50.7172.7173.361.4000111.1H325 C327 F334 E336 S337 R342 H343 Q344H325-L340 HydrophobicContact CB-CB 4.01Å; H325-L340 HydrophobicContact CB-CD2 3.86Å; C327-L340 HydrophobicContact CB-CD1 3.64Å; F334-L340 HydrophobicContact CB-CB 4.44Å; F334-L340 HydrophobicContact CD2-CB 3.95Å; F334-L340 HydrophobicContact CD2-CD1 3.91Å; F334-L340 HydrophobicContact CE2-CD1 4.03Å; F334-L340 HydrophobicContact CG-CB 4.4Å; E336-L340 PolarHBondContact O-N 2.86Å; S337-L340 WeakPolarHBondContact O-CB 3.39Å; S337-L340 PolarHBondContact O-N 3.41Å; S337-L340 VanDerWaalsContact O-N 3.11Å; L340-R342 VanDerWaalsContact C-N 3.27Å; L340-R342 PolarHBondContact O-N 3.12Å; L340-H343 CarbonylContact O-C 3.26Å; L340-H343 WeakPolarHBondContact O-CA 3.36Å; L340-H343 WeakPolarHBondContact O-CB 3.44Å; L340-H343 PolarHBondContact O-N 3.01Å; L340-Q344 HydrophobicContact CD1-CG 4.47Å; L340-Q344 WeakPolarHBondContact O-CG 3.33Å; L340-Q344 PolarHBondContact O-N 3.33Å
341K93.9Very high93.7Very high147 Ų14763.2 Ų63.264%0.63934%0.339SS*.Hα-helixtrans-54-45.8176.7-73.6-177.3179178.80111.9S337 H343 Q344S337-K341 PolarHBondContact O-N 3.35Å; K341-H343 VanDerWaalsContact C-N 3.3Å; K341-H343 PolarHBondContact O-N 2.95Å; K341-Q344 WeakPolarHBondContact O-CB 3.38Å; K341-Q344 PolarHBondContact O-N 3.49Å
342R93.6Very high93.6Very high106 Ų10664 Ų6440%0.434%0.335SS..Hα-helixtrans-63.5-36.8176-172.2175.265.2162.78.6112.8S338 L340 Q344 L345 L366S338-R342 VanDerWaalsContact O-CB 3.27Å; S338-R342 WeakPolarHBondContact O-CB 3.46Å; S338-R342 PolarHBondContact O-N 3.12Å; L340-R342 VanDerWaalsContact C-N 3.27Å; L340-R342 PolarHBondContact O-N 3.12Å; R342-Q344 VanDerWaalsContact C-N 3.33Å; R342-L345 HydrophobicContact CG-CD1 4.5Å; R342-L345 WeakPolarHBondContact O-CB 3.46Å; R342-L345 PolarHBondContact O-N 2.97Å; R342-L366 VanDerWaalsContact CD-CD2 3.41Å; R342-L366 HydrophobicContact CG-CD1 4.42Å; R342-L366 HydrophobicContact CG-CD2 3.3Å; R342-L366 HydrophobicContact CG-CG 4.5Å
343H94.8Very high93.6Very high18 Ų1862.6 Ų62.68%0.08333%0.329CS..Hα-helixtrans-68.6-32.4177168.257000112.2C330 F334 K339 L340 K341 L345 V346 H347C330-H343 PolarHBondContact SG-NE2 3.34Å; F334-H343 HydrophobicContact CE1-CB 4.14Å; F334-H343 HydrophobicContact CE2-CB 3.89Å; F334-H343 AromaticContact CE2-CD2 3.33Å; F334-H343 WeakPolarHBondContact CE2-CD2 3.43Å; F334-H343 AromaticContact CE2-CG 3.68Å; F334-H343 HydrophobicContact CZ-CB 3.51Å; F334-H343 AromaticContact CZ-CD2 3.45Å; F334-H343 VanDerWaalsContact CZ-CD2 3.45Å; F334-H343 WeakPolarHBondContact CZ-CD2 3.39Å; F334-H343 AromaticContact CZ-CG 3.33Å; F334-H343 AromaticContact CZ-ND1 3.98Å; K339-H343 VanDerWaalsContact O-CB 3.27Å; K339-H343 WeakPolarHBondContact O-CB 3.34Å; K339-H343 PolarHBondContact O-N 2.78Å; L340-H343 CarbonylContact O-C 3.26Å; L340-H343 WeakPolarHBondContact O-CA 3.36Å; L340-H343 WeakPolarHBondContact O-CB 3.44Å; L340-H343 PolarHBondContact O-N 3.01Å; K341-H343 VanDerWaalsContact C-N 3.3Å; K341-H343 PolarHBondContact O-N 2.95Å; H343-L345 PolarHBondContact O-N 3.15Å; H343-L345 VanDerWaalsContact O-N 3.14Å; H343-V346 VanDerWaalsContact O-CB 3.27Å; H343-V346 WeakPolarHBondContact O-CB 3.42Å; H343-V346 WeakPolarHBondContact O-CG2 3.48Å; H343-V346 PolarHBondContact O-N 3Å; H343-H347 AromaticContact CE1-NE2 3.89Å; H343-H347 AromaticContact NE2-NE2 3.6Å
344Q94.4Very high93.8Very high80 Ų8065.8 Ų65.837%0.37434%0.339SS..Hα-helixtrans-59.6-24.2176.1-69.4175.6-58.300113.2L340 K341 R342 V346 H347 T348L340-Q344 HydrophobicContact CD1-CG 4.47Å; L340-Q344 WeakPolarHBondContact O-CG 3.33Å; L340-Q344 PolarHBondContact O-N 3.33Å; K341-Q344 WeakPolarHBondContact O-CB 3.38Å; K341-Q344 PolarHBondContact O-N 3.49Å; R342-Q344 VanDerWaalsContact C-N 3.33Å; Q344-V346 PolarHBondContact O-N 2.59Å; Q344-V346 VanDerWaalsContact O-N 3.14Å; Q344-H347 WeakPolarHBondContact O-CB 3.37Å; Q344-H347 PolarHBondContact O-N 3.21Å; Q344-T348 PolarHBondContact O-N 2.81Å; Q344-T348 PolarHBondContact O-OG1 2.73Å
345L94.7Very high93.9Very high29 Ų2964.3 Ų64.315%0.15233%0.333CS..Hα-helixtrans-60-23.1173.3-59.4172.7000113.3R342 H343 H347 G349 E350 S365 L366R342-L345 HydrophobicContact CG-CD1 4.5Å; R342-L345 WeakPolarHBondContact O-CB 3.46Å; R342-L345 PolarHBondContact O-N 2.97Å; H343-L345 PolarHBondContact O-N 3.15Å; H343-L345 VanDerWaalsContact O-N 3.14Å; L345-H347 VanDerWaalsContact C-N 3.28Å; L345-G349 WeakPolarHBondContact O-CA 3.36Å; L345-G349 PolarHBondContact O-N 3.28Å; L345-G349 VanDerWaalsContact O-N 3.12Å; L345-E350 HydrophobicContact CD2-CB 3.77Å; L345-S365 WeakPolarHBondContact CD1-O 3.29Å; L345-L366 HydrophobicContact CD1-CD2 4.12Å
346V94.2Very high94.1Very high63 Ų6369.7 Ų69.738%0.38237%0.366SS..Hα-helixtrans-69.7-30.9174.2-179.90000111.1H343 Q344H343-V346 VanDerWaalsContact O-CB 3.27Å; H343-V346 WeakPolarHBondContact O-CB 3.42Å; H343-V346 WeakPolarHBondContact O-CG2 3.48Å; H343-V346 PolarHBondContact O-N 3Å; Q344-V346 PolarHBondContact O-N 2.59Å; Q344-V346 VanDerWaalsContact O-N 3.14Å
347H93.8Very high94.3Very high66 Ų6672 Ų7231%0.30638%0.375SS..Hα-helixtrans-87-41.6-179.3-70.1-58.9000112.4C327 E329 C330 H343 Q344 L345 G349C327-H347 PolarHBondContact SG-NE2 3.42Å; E329-H347 WeakPolarHBondContact OE2-CB 3.4Å; E329-H347 IonicContact OE2-CD2 3.23Å; E329-H347 IonicContact OE2-CE1 3.48Å; E329-H347 IonicContact OE2-CG 2.83Å; E329-H347 IonicContact OE2-ND1 3.01Å; E329-H347 PolarHBondContact OE2-ND1 2.74Å; C330-H347 PolarHBondContact SG-NE2 3.18Å; C330-H347 VanDerWaalsContact SG-NE2 3.4Å; H343-H347 AromaticContact CE1-NE2 3.89Å; H343-H347 AromaticContact NE2-NE2 3.6Å; Q344-H347 WeakPolarHBondContact O-CB 3.37Å; Q344-H347 PolarHBondContact O-N 3.21Å; L345-H347 VanDerWaalsContact C-N 3.28Å; H347-G349 PolarHBondContact O-N 3.38Å
348T93.6Very high94.3Very high78 Ų7877.3 Ų77.348%0.47939%0.394SS..Hα-helixtrans-76.6-14.3178.862.60000112.8Q344 E350Q344-T348 PolarHBondContact O-N 2.81Å; Q344-T348 PolarHBondContact O-OG1 2.73Å; T348-E350 PolarHBondContact O-N 3.47Å; T348-E350 VanDerWaalsContact O-N 3.09Å; T348-E350 WeakPolarHBondContact OG1-CB 2.95Å; T348-E350 WeakPolarHBondContact OG1-CG 3.32Å; T348-E350 PolarHBondContact OG1-N 3.4Å
349G92.9Very high94.4Very high39 Ų3978.5 Ų78.540%0.40242%0.416SS..  trans64.48.8-17200000113.3L345 H347 K351L345-G349 WeakPolarHBondContact O-CA 3.36Å; L345-G349 PolarHBondContact O-N 3.28Å; L345-G349 VanDerWaalsContact O-N 3.12Å; H347-G349 PolarHBondContact O-N 3.38Å; G349-K351 PolarHBondContact O-N 2.93Å
350E93.5Very high94.4Very high113 Ų11376.2 Ų76.253%0.52841%0.409SS..  trans-63.7124.9-176.7-79.8-175.5-174.500110.6L345 T348 P352L345-E350 HydrophobicContact CD2-CB 3.77Å; T348-E350 PolarHBondContact O-N 3.47Å; T348-E350 VanDerWaalsContact O-N 3.09Å; T348-E350 WeakPolarHBondContact OG1-CB 2.95Å; T348-E350 WeakPolarHBondContact OG1-CG 3.32Å; T348-E350 PolarHBondContact OG1-N 3.4Å; E350-P352 WeakPolarHBondContact O-CD 3.11Å
351K94.3Very high94.3Very high66 Ų6676.9 Ų76.929%0.28742%0.422SS..  trans-120.479.1177.1-68.6173.9-176.8177.70109.4D51 G349 F353 R363 F364D51-K351 WeakPolarHBondContact OD1-CE 3.16Å; D51-K351 IonicContact OD1-NZ 2.79Å; D51-K351 PolarHBondContact OD1-NZ 3.11Å; D51-K351 WeakPolarHBondContact OD2-CE 3.03Å; D51-K351 IonicContact OD2-NZ 3.08Å; D51-K351 PolarHBondContact OD2-NZ 3.42Å; G349-K351 PolarHBondContact O-N 2.93Å; K351-F353 VanDerWaalsContact C-N 3.25Å; K351-F353 PolarHBondContact O-N 3.19Å; K351-R363 HydrophobicContact CB-CB 3.56Å; K351-R363 PolarHBondContact O-NE 3.11Å; K351-R363 PolarHBondContact O-NH2 2.62Å; K351-R363 VanDerWaalsContact O-NH2 3.17Å; K351-F364 CarbonylContact C-O 3.57Å; K351-F364 VanDerWaalsContact C-O 3.26Å; K351-F364 WeakPolarHBondContact CA-O 3.49Å
352P92.1Very high94.4Very high65 Ų6575.8 Ų75.842%0.42242%0.418SS..  trans-66.2-27-172.6-21.534.2000113.4E350E350-P352 WeakPolarHBondContact O-CD 3.11Å
353F95.6Very high94.5Very high76 Ų7676.8 Ų76.833%0.33342%0.421SS..EExtended strand (participates in β ladder)trans-98.2110.4-169.2-56.2-79.5000111.1K351 R363 F364 S365 L366 D367 L370K351-F353 VanDerWaalsContact C-N 3.25Å; K351-F353 PolarHBondContact O-N 3.19Å; F353-R363 CarbonylContact O-C 3.28Å; F353-R363 VanDerWaalsContact O-CA 3.29Å; F353-R363 WeakPolarHBondContact O-CA 3.32Å; F353-F364 HydrophobicContact CB-CB 4.44Å; F353-F364 WeakPolarHBondContact CB-O 3.48Å; F353-F364 WeakPolarHBondContact CD2-O 3.39Å; F353-F364 PolarHBondContact N-O 2.92Å; F353-F364 PolarHBondContact O-N 3.46Å; F353-S365 WeakPolarHBondContact CD2-O 3.34Å; F353-S365 VanDerWaalsContact CE2-O 3.26Å; F353-S365 WeakPolarHBondContact CE2-O 3.45Å; F353-L366 VanDerWaalsContact CD2-C 3.43Å; F353-D367 HydrophobicContact CD1-CB 3.85Å; F353-D367 HydrophobicContact CD2-CB 4.46Å; F353-D367 VanDerWaalsContact CD2-N 3.31Å; F353-D367 HydrophobicContact CE1-CB 3.69Å; F353-D367 HydrophobicContact CE2-CB 4.32Å; F353-D367 HydrophobicContact CG-CB 4.24Å; F353-D367 HydrophobicContact CZ-CB 3.93Å; F353-L370 HydrophobicContact CB-CB 4.18Å; F353-L370 HydrophobicContact CB-CD2 3.89Å
354Q96.3Very high94.5Very high95 Ų9577.8 Ų77.844%0.44443%0.426SS..EExtended strand (participates in β ladder)trans-99.2141.1-179.6-172.7172.521.500112.5T356 G361 R363 L370Q354-T356 PolarHBondContact O-N 3.21Å; Q354-G361 PolarHBondContact NE2-O 3.41Å; Q354-R363 HydrophobicContact CB-CG 4.21Å; Q354-R363 HydrophobicContact CG-CG 4.08Å; Q354-L370 WeakPolarHBondContact O-CD2 3.42Å
355C96.8Very high94.4Very high3 Ų375.1 Ų75.12%0.0242%0.416CS..  trans-72.8120169.8-170.90000110.6F357 C360 K362 L370C355-F357 VanDerWaalsContact C-N 3.27Å; C355-F357 PolarHBondContact O-N 2.98Å; C355-C360 HydrophobicContact CB-CB 4.42Å; C355-K362 WeakPolarHBondContact CB-O 3.39Å; C355-K362 PolarHBondContact N-O 2.98Å; C355-L370 HydrophobicContact CB-CD1 3.78Å
356T95.7Very high94.3Very high132 Ų13275.3 Ų75.381%0.8142%0.417SS*.  trans-865.3179.156.60000113.4Q354 E358Q354-T356 PolarHBondContact O-N 3.21Å; T356-E358 PolarHBondContact O-N 3.15Å
357F94.9Very high94.3Very high107 Ų10775.2 Ų75.247%0.46941%0.414SS..SBendtrans-71.1129.6175.8-164.7-93.9000109.9C355 G359 C360 H377C355-F357 VanDerWaalsContact C-N 3.27Å; C355-F357 PolarHBondContact O-N 2.98Å; F357-G359 PolarHBondContact O-N 2.87Å; F357-C360 HydrophobicContact CB-CB 4.14Å; F357-C360 WeakPolarHBondContact O-CB 3.48Å; F357-C360 PolarHBondContact O-N 3.46Å; F357-H377 HydrophobicContact CD1-CB 4.19Å; F357-H377 AromaticContact CD1-CE1 3.78Å; F357-H377 AromaticContact CD1-CG 3.7Å; F357-H377 AromaticContact CD1-ND1 3.42Å; F357-H377 WeakPolarHBondContact CD1-ND1 3.39Å; F357-H377 HydrophobicContact CD2-CB 3.63Å; F357-H377 AromaticContact CD2-CG 3.89Å; F357-H377 HydrophobicContact CE1-CB 4.29Å; F357-H377 AromaticContact CE1-ND1 3.73Å; F357-H377 HydrophobicContact CE2-CB 3.76Å; F357-H377 HydrophobicContact CG-CB 3.86Å; F357-H377 AromaticContact CG-CD2 3.81Å; F357-H377 AromaticContact CG-CG 3.55Å; F357-H377 AromaticContact CG-ND1 3.79Å; F357-H377 HydrophobicContact CZ-CB 4.08Å
358E94.3Very high94.1Very high172 Ų17276.5 Ų76.580%0.80442%0.419SS*.THydrogen-bonded Turntrans-53.5124.6-177.6-64.8-60.3147.200111.3T356 C360T356-E358 PolarHBondContact O-N 3.15Å; E358-C360 VanDerWaalsContact C-N 3.32Å; E358-C360 PolarHBondContact O-N 3.34Å
359G93.2Very high94Very high91 Ų9175.6 Ų75.694%0.93841%0.411SS*.THydrogen-bonded Turntrans78.21.4-17900000116.2F357F357-G359 PolarHBondContact O-N 2.87Å
360C95.4Very high94.2Very high29 Ų2974.9 Ų74.920%0.19640%0.398CS..THydrogen-bonded Turntrans-88.7-57.9176.1-1740000112.5C355 F357 E358 K362 H373 H377C355-C360 HydrophobicContact CB-CB 4.42Å; F357-C360 HydrophobicContact CB-CB 4.14Å; F357-C360 WeakPolarHBondContact O-CB 3.48Å; F357-C360 PolarHBondContact O-N 3.46Å; E358-C360 VanDerWaalsContact C-N 3.32Å; E358-C360 PolarHBondContact O-N 3.34Å; C360-K362 PolarHBondContact O-N 3.27Å; C360-H373 PolarHBondContact SG-NE2 3.49Å; C360-H377 PolarHBondContact SG-NE2 3.47Å
361G92.5Very high94.1Very high39 Ų3976.9 Ų76.940%0.40240%0.401SS..  trans62.4-4178.100000116.6Q354Q354-G361 PolarHBondContact NE2-O 3.41Å
362K95.4Very high94Very high124 Ų12474.8 Ų74.854%0.53939%0.394SS..  trans-60.6141.3-175.4-71.8-178.2179.1-170.90112.3C355 C360 F364C355-K362 WeakPolarHBondContact CB-O 3.39Å; C355-K362 PolarHBondContact N-O 2.98Å; C360-K362 PolarHBondContact O-N 3.27Å; K362-F364 HydrophobicContact CB-CE2 4.01Å; K362-F364 HydrophobicContact CB-CZ 4.13Å
363R95.9Very high94.1Very high127 Ų12772.6 Ų72.648%0.47938%0.378SS..EExtended strand (participates in β ladder)trans-114.7150.5-179.2-53.2-174.970.31161.6111.5K351 F353 Q354K351-R363 HydrophobicContact CB-CB 3.56Å; K351-R363 PolarHBondContact O-NE 3.11Å; K351-R363 PolarHBondContact O-NH2 2.62Å; K351-R363 VanDerWaalsContact O-NH2 3.17Å; F353-R363 CarbonylContact O-C 3.28Å; F353-R363 VanDerWaalsContact O-CA 3.29Å; F353-R363 WeakPolarHBondContact O-CA 3.32Å; Q354-R363 HydrophobicContact CB-CG 4.21Å; Q354-R363 HydrophobicContact CG-CG 4.08Å
364F94.9Very high94Very high40 Ų4071.4 Ų71.418%0.17538%0.377CS..EExtended strand (participates in β ladder)trans-133.7144.9-178-58.7-87.2000110K351 F353 K362 L366 N369 L370 H373K351-F364 CarbonylContact C-O 3.57Å; K351-F364 VanDerWaalsContact C-O 3.26Å; K351-F364 WeakPolarHBondContact CA-O 3.49Å; F353-F364 HydrophobicContact CB-CB 4.44Å; F353-F364 WeakPolarHBondContact CB-O 3.48Å; F353-F364 WeakPolarHBondContact CD2-O 3.39Å; F353-F364 PolarHBondContact N-O 2.92Å; F353-F364 PolarHBondContact O-N 3.46Å; K362-F364 HydrophobicContact CB-CE2 4.01Å; K362-F364 HydrophobicContact CB-CZ 4.13Å; F364-L366 VanDerWaalsContact C-N 3.27Å; F364-L366 PolarHBondContact O-N 2.81Å; F364-N369 HydrophobicContact CB-CB 4.25Å; F364-N369 HydrophobicContact CD1-CB 4.02Å; F364-N369 HydrophobicContact CG-CB 4.38Å; F364-L370 HydrophobicContact CB-CB 4.25Å; F364-L370 HydrophobicContact CD2-CB 3.77Å; F364-L370 HydrophobicContact CD2-CD1 3.72Å; F364-L370 HydrophobicContact CD2-CG 4.34Å; F364-L370 HydrophobicContact CE2-CD1 3.86Å; F364-L370 HydrophobicContact CG-CB 4.16Å; F364-H373 HydrophobicContact CE1-CB 3.85Å; F364-H373 HydrophobicContact CE2-CB 3.86Å; F364-H373 AromaticContact CE2-CD2 3.44Å; F364-H373 VanDerWaalsContact CE2-CD2 3.44Å; F364-H373 WeakPolarHBondContact CE2-CD2 3.1Å; F364-H373 AromaticContact CE2-CG 3.64Å; F364-H373 HydrophobicContact CZ-CB 3.38Å; F364-H373 AromaticContact CZ-CD2 3.41Å; F364-H373 VanDerWaalsContact CZ-CD2 3.41Å; F364-H373 WeakPolarHBondContact CZ-CD2 3.43Å; F364-H373 AromaticContact CZ-CG 3.15Å; F364-H373 AromaticContact CZ-ND1 3.62Å; F364-H373 AromaticContact CZ-NE2 3.98Å
365S92.8Very high93.9Very high24 Ų2469.3 Ų69.317%0.16837%0.365CS..SBendtrans-69.7-26.5174510000112.2L345 F353L345-S365 WeakPolarHBondContact CD1-O 3.29Å; F353-S365 WeakPolarHBondContact CD2-O 3.34Å; F353-S365 VanDerWaalsContact CE2-O 3.26Å; F353-S365 WeakPolarHBondContact CE2-O 3.45Å
366L93Very high93.8Very high32 Ų3273.8 Ų73.817%0.16839%0.387CS..SBendtrans-128.5136.5-174.9-52.5176.7000112.2R342 L345 F353 F364 F368 N369 L370R342-L366 VanDerWaalsContact CD-CD2 3.41Å; R342-L366 HydrophobicContact CG-CD1 4.42Å; R342-L366 HydrophobicContact CG-CD2 3.3Å; R342-L366 HydrophobicContact CG-CG 4.5Å; L345-L366 HydrophobicContact CD1-CD2 4.12Å; F353-L366 VanDerWaalsContact CD2-C 3.43Å; F364-L366 VanDerWaalsContact C-N 3.27Å; F364-L366 PolarHBondContact O-N 2.81Å; L366-F368 VanDerWaalsContact C-N 3.35Å; L366-F368 HydrophobicContact CB-CD1 3.9Å; L366-F368 HydrophobicContact CB-CE1 3.73Å; L366-F368 HydrophobicContact CB-CZ 4.42Å; L366-F368 HydrophobicContact CD1-CD1 4.38Å; L366-F368 HydrophobicContact CD1-CE1 3.38Å; L366-F368 HydrophobicContact CD1-CZ 3.74Å; L366-F368 HydrophobicContact CG-CE1 4.12Å; L366-F368 PolarHBondContact O-N 2.85Å; L366-N369 HydrophobicContact CB-CB 4.37Å; L366-N369 WeakPolarHBondContact O-CB 3.4Å; L366-N369 PolarHBondContact O-N 2.89Å; L366-N369 VanDerWaalsContact O-N 3.08Å; L366-L370 PolarHBondContact O-N 2.96Å
367D92.9Very high93.7Very high61 Ų6170.2 Ų70.233%0.32636%0.361SS..Hα-helixtrans-56.6-42.9178.3168.571.6000113.3F353 N369 L370 R371F353-D367 HydrophobicContact CD1-CB 3.85Å; F353-D367 HydrophobicContact CD2-CB 4.46Å; F353-D367 VanDerWaalsContact CD2-N 3.31Å; F353-D367 HydrophobicContact CE1-CB 3.69Å; F353-D367 HydrophobicContact CE2-CB 4.32Å; F353-D367 HydrophobicContact CG-CB 4.24Å; F353-D367 HydrophobicContact CZ-CB 3.93Å; D367-N369 PolarHBondContact O-N 3.24Å; D367-L370 WeakPolarHBondContact O-CB 3.41Å; D367-L370 PolarHBondContact O-N 2.82Å; D367-L370 VanDerWaalsContact O-N 3.13Å; D367-R371 PolarHBondContact O-N 2.96Å; D367-R371 IonicContact OD1-NE 2.73Å; D367-R371 IonicContact OD2-CZ 2.69Å; D367-R371 IonicContact OD2-NE 3.98Å; D367-R371 PolarHBondContact OD2-NE 3.32Å; D367-R371 IonicContact OD2-NH2 2.74Å; D367-R371 PolarHBondContact OD2-NH2 3.46Å
368F89.4Confident93.6Very high94 Ų9469.5 Ų69.541%0.41237%0.366SS..Hα-helixtrans-66.7-27.3-179.878.2-96000112.6L366 T372L366-F368 VanDerWaalsContact C-N 3.35Å; L366-F368 HydrophobicContact CB-CD1 3.9Å; L366-F368 HydrophobicContact CB-CE1 3.73Å; L366-F368 HydrophobicContact CB-CZ 4.42Å; L366-F368 HydrophobicContact CD1-CD1 4.38Å; L366-F368 HydrophobicContact CD1-CE1 3.38Å; L366-F368 HydrophobicContact CD1-CZ 3.74Å; L366-F368 HydrophobicContact CG-CE1 4.12Å; L366-F368 PolarHBondContact O-N 2.85Å; F368-T372 WeakPolarHBondContact O-CB 3.37Å; F368-T372 PolarHBondContact O-N 3.25Å; F368-T372 PolarHBondContact O-OG1 3.48Å
369N92.8Very high93.5Very high58 Ų5863.7 Ų63.731%0.3135%0.352SS..Hα-helixtrans-68.9-44.2173.4-75-19000109.8F364 L366 D367 T372 H373F364-N369 HydrophobicContact CB-CB 4.25Å; F364-N369 HydrophobicContact CD1-CB 4.02Å; F364-N369 HydrophobicContact CG-CB 4.38Å; L366-N369 HydrophobicContact CB-CB 4.37Å; L366-N369 WeakPolarHBondContact O-CB 3.4Å; L366-N369 PolarHBondContact O-N 2.89Å; L366-N369 VanDerWaalsContact O-N 3.08Å; D367-N369 PolarHBondContact O-N 3.24Å; N369-T372 PolarHBondContact O-N 3.08Å; N369-H373 WeakPolarHBondContact O-CB 3.39Å; N369-H373 PolarHBondContact O-N 2.86Å
370L95.5Very high93.6Very high24 Ų2463.1 Ų63.113%0.12633%0.328CS..Hα-helixtrans-57.6-50.4172.3171.161.5000111.4F353 Q354 C355 F364 L366 D367 T372 H373 V374F353-L370 HydrophobicContact CB-CB 4.18Å; F353-L370 HydrophobicContact CB-CD2 3.89Å; Q354-L370 WeakPolarHBondContact O-CD2 3.42Å; C355-L370 HydrophobicContact CB-CD1 3.78Å; F364-L370 HydrophobicContact CB-CB 4.25Å; F364-L370 HydrophobicContact CD2-CB 3.77Å; F364-L370 HydrophobicContact CD2-CD1 3.72Å; F364-L370 HydrophobicContact CD2-CG 4.34Å; F364-L370 HydrophobicContact CE2-CD1 3.86Å; F364-L370 HydrophobicContact CG-CB 4.16Å; L366-L370 PolarHBondContact O-N 2.96Å; D367-L370 WeakPolarHBondContact O-CB 3.41Å; D367-L370 PolarHBondContact O-N 2.82Å; D367-L370 VanDerWaalsContact O-N 3.13Å; L370-T372 PolarHBondContact O-N 3.38Å; L370-H373 WeakPolarHBondContact O-CB 3.02Å; L370-H373 PolarHBondContact O-N 3.42Å; L370-H373 VanDerWaalsContact O-N 3.07Å; L370-V374 HydrophobicContact CD1-CG2 3.94Å; L370-V374 HydrophobicContact CG-CG2 4.42Å; L370-V374 WeakPolarHBondContact O-CG2 3.17Å; L370-V374 PolarHBondContact O-N 3.17Å
371R92.8Very high93.5Very high155 Ų15568.3 Ų68.359%0.58534%0.343SS*.Hα-helixtrans-58.1-34.1177.3-75.4-171.9-82.8165.1-7.2112.8D367D367-R371 PolarHBondContact O-N 2.96Å; D367-R371 IonicContact OD1-NE 2.73Å; D367-R371 IonicContact OD2-CZ 2.69Å; D367-R371 IonicContact OD2-NE 3.98Å; D367-R371 PolarHBondContact OD2-NE 3.32Å; D367-R371 IonicContact OD2-NH2 2.74Å; D367-R371 PolarHBondContact OD2-NH2 3.46Å
372T92.1Very high93.5Very high23 Ų2369.5 Ų69.514%0.14134%0.344CS..Hα-helixtrans-73.9-40.3176.2-57.90000111.6F368 N369 L370 R375 Q396F368-T372 WeakPolarHBondContact O-CB 3.37Å; F368-T372 PolarHBondContact O-N 3.25Å; F368-T372 PolarHBondContact O-OG1 3.48Å; N369-T372 PolarHBondContact O-N 3.08Å; L370-T372 PolarHBondContact O-N 3.38Å; T372-R375 WeakPolarHBondContact O-CB 3.44Å; T372-R375 PolarHBondContact O-N 2.89Å; T372-R375 PolarHBondContact OG1-NH2 2.84Å; T372-Q396 HydrophobicContact CG2-CG 3.53Å
373H94.3Very high93.4Very high19 Ų1967.3 Ų67.39%0.08833%0.333CS..Hα-helixtrans-62.7-42.1175.3169.971.1000112.7C360 F364 N369 L370 R375 I376 H377C360-H373 PolarHBondContact SG-NE2 3.49Å; F364-H373 HydrophobicContact CE1-CB 3.85Å; F364-H373 HydrophobicContact CE2-CB 3.86Å; F364-H373 AromaticContact CE2-CD2 3.44Å; F364-H373 VanDerWaalsContact CE2-CD2 3.44Å; F364-H373 WeakPolarHBondContact CE2-CD2 3.1Å; F364-H373 AromaticContact CE2-CG 3.64Å; F364-H373 HydrophobicContact CZ-CB 3.38Å; F364-H373 AromaticContact CZ-CD2 3.41Å; F364-H373 VanDerWaalsContact CZ-CD2 3.41Å; F364-H373 WeakPolarHBondContact CZ-CD2 3.43Å; F364-H373 AromaticContact CZ-CG 3.15Å; F364-H373 AromaticContact CZ-ND1 3.62Å; F364-H373 AromaticContact CZ-NE2 3.98Å; N369-H373 WeakPolarHBondContact O-CB 3.39Å; N369-H373 PolarHBondContact O-N 2.86Å; L370-H373 WeakPolarHBondContact O-CB 3.02Å; L370-H373 PolarHBondContact O-N 3.42Å; L370-H373 VanDerWaalsContact O-N 3.07Å; H373-R375 PolarHBondContact O-N 2.89Å; H373-I376 VanDerWaalsContact O-CB 3.23Å; H373-I376 WeakPolarHBondContact O-CB 3.4Å; H373-I376 WeakPolarHBondContact O-CG1 3.36Å; H373-I376 PolarHBondContact O-N 3.43Å; H373-H377 AromaticContact CE1-NE2 3.85Å; H373-H377 AromaticContact NE2-CD2 3.95Å; H373-H377 AromaticContact NE2-NE2 3.24Å; H373-H377 PolarHBondContact NE2-NE2 2.82Å
374V93.8Very high93.4Very high51 Ų5164.8 Ų64.831%0.30933%0.331SS..Hα-helixtrans-56.8-26.9179.8168.90000112.4L370 I376 H377 T378L370-V374 HydrophobicContact CD1-CG2 3.94Å; L370-V374 HydrophobicContact CG-CG2 4.42Å; L370-V374 WeakPolarHBondContact O-CG2 3.17Å; L370-V374 PolarHBondContact O-N 3.17Å; V374-I376 PolarHBondContact O-N 3.4Å; V374-H377 WeakPolarHBondContact O-CB 3.49Å; V374-H377 PolarHBondContact O-N 2.81Å; V374-T378 HydrophobicContact CG1-CG2 4.18Å; V374-T378 PolarHBondContact O-N 3.25Å; V374-T378 VanDerWaalsContact O-N 3.12Å
375R94.3Very high93.4Very high50 Ų5063.3 Ų63.319%0.18933%0.326CS..Hα-helixtrans-61.4-23.4174.9-62.9-179.3-130.8179.1-0.5113.6T372 H373 H377 T378 G379 D380 Y383 A395T372-R375 WeakPolarHBondContact O-CB 3.44Å; T372-R375 PolarHBondContact O-N 2.89Å; T372-R375 PolarHBondContact OG1-NH2 2.84Å; H373-R375 PolarHBondContact O-N 2.89Å; R375-H377 VanDerWaalsContact C-N 3.34Å; R375-T378 WeakPolarHBondContact CA-OG1 3.39Å; R375-T378 PolarHBondContact O-OG1 2.73Å; R375-G379 CarbonylContact O-C 3.56Å; R375-G379 WeakPolarHBondContact O-CA 3.18Å; R375-G379 PolarHBondContact O-N 2.72Å; R375-D380 HydrophobicContact CB-CB 4.31Å; R375-D380 HydrophobicContact CG-CB 4.27Å; R375-D380 PolarHBondContact O-N 3.4Å; R375-D380 VanDerWaalsContact O-N 3.12Å; R375-Y383 VanDerWaalsContact NH1-CE2 3.3Å; R375-A395 HydrophobicContact CB-CB 4.22Å; R375-A395 PolarHBondContact NH1-O 2.92Å
376I93Very high93.4Very high98 Ų9866.9 Ų66.950%0.50335%0.349SS..Hα-helixtrans-67.2-39.5174.6-59172.3000110H373 V374H373-I376 VanDerWaalsContact O-CB 3.23Å; H373-I376 WeakPolarHBondContact O-CB 3.4Å; H373-I376 WeakPolarHBondContact O-CG1 3.36Å; H373-I376 PolarHBondContact O-N 3.43Å; V374-I376 PolarHBondContact O-N 3.4Å
377H94.1Very high93.4Very high56 Ų5668.2 Ų68.226%0.25935%0.353SS..Hα-helixtrans-73.9-42.5178.1-62.9-57.7000112.5F357 C360 H373 V374 R375 G379F357-H377 HydrophobicContact CD1-CB 4.19Å; F357-H377 AromaticContact CD1-CE1 3.78Å; F357-H377 AromaticContact CD1-CG 3.7Å; F357-H377 AromaticContact CD1-ND1 3.42Å; F357-H377 WeakPolarHBondContact CD1-ND1 3.39Å; F357-H377 HydrophobicContact CD2-CB 3.63Å; F357-H377 AromaticContact CD2-CG 3.89Å; F357-H377 HydrophobicContact CE1-CB 4.29Å; F357-H377 AromaticContact CE1-ND1 3.73Å; F357-H377 HydrophobicContact CE2-CB 3.76Å; F357-H377 HydrophobicContact CG-CB 3.86Å; F357-H377 AromaticContact CG-CD2 3.81Å; F357-H377 AromaticContact CG-CG 3.55Å; F357-H377 AromaticContact CG-ND1 3.79Å; F357-H377 HydrophobicContact CZ-CB 4.08Å; C360-H377 PolarHBondContact SG-NE2 3.47Å; H373-H377 AromaticContact CE1-NE2 3.85Å; H373-H377 AromaticContact NE2-CD2 3.95Å; H373-H377 AromaticContact NE2-NE2 3.24Å; H373-H377 PolarHBondContact NE2-NE2 2.82Å; V374-H377 WeakPolarHBondContact O-CB 3.49Å; V374-H377 PolarHBondContact O-N 2.81Å; R375-H377 VanDerWaalsContact C-N 3.34Å; H377-G379 PolarHBondContact O-N 3.24Å
378T93.2Very high93.3Very high93 Ų9373.7 Ų73.757%0.57138%0.382SS*.Hα-helixtrans-77.2-14.4-179.762.60000112.8V374 R375 D380V374-T378 HydrophobicContact CG1-CG2 4.18Å; V374-T378 PolarHBondContact O-N 3.25Å; V374-T378 VanDerWaalsContact O-N 3.12Å; R375-T378 WeakPolarHBondContact CA-OG1 3.39Å; R375-T378 PolarHBondContact O-OG1 2.73Å; T378-D380 PolarHBondContact O-N 3.04Å; T378-D380 WeakPolarHBondContact OG1-CB 3.42Å; T378-D380 PolarHBondContact OG1-N 3.04Å
379G92.8Very high93.3Very high50 Ų5072.6 Ų72.652%0.51540%0.397SS..THydrogen-bonded Turntrans69.113.5-171.700000113.4R375 H377 R381R375-G379 CarbonylContact O-C 3.56Å; R375-G379 WeakPolarHBondContact O-CA 3.18Å; R375-G379 PolarHBondContact O-N 2.72Å; H377-G379 PolarHBondContact O-N 3.24Å; G379-R381 PolarHBondContact O-N 3.03Å
380D94.6Very high93.2Very high78 Ų7870.6 Ų70.642%0.41739%0.388SS..  trans-68.5125.8-178.7-177.929.9000111.3R375 T378R375-D380 HydrophobicContact CB-CB 4.31Å; R375-D380 HydrophobicContact CG-CB 4.27Å; R375-D380 PolarHBondContact O-N 3.4Å; R375-D380 VanDerWaalsContact O-N 3.12Å; T378-D380 PolarHBondContact O-N 3.04Å; T378-D380 WeakPolarHBondContact OG1-CB 3.42Å; T378-D380 PolarHBondContact OG1-N 3.04Å
381R93.6Very high93.1Very high138 Ų13876.5 Ų76.552%0.52142%0.42SS..  trans-133.472.7-176.4-64.6173.484.6150.37109G379 Y383 K393 F394G379-R381 PolarHBondContact O-N 3.03Å; R381-Y383 PolarHBondContact O-N 2.78Å; R381-K393 HydrophobicContact CB-CB 3.72Å; R381-K393 PolarHBondContact NE-O 3.2Å; R381-K393 PolarHBondContact NH2-O 2.84Å; R381-F394 CarbonylContact C-O 3.46Å; R381-F394 VanDerWaalsContact C-O 3.28Å; R381-F394 VanDerWaalsContact CA-O 3.29Å; R381-F394 WeakPolarHBondContact CA-O 3.19Å
382P91.7Very high93.2Very high65 Ų6575 Ų7542%0.42242%0.417SS..  trans-70.6-19.4-171.227.9-34.6000112.7V384P382-V384 PolarHBondContact O-N 3.46Å
383Y94.1Very high93.3Very high78 Ų7879.1 Ų79.131%0.30643%0.433SS..EExtended strand (participates in β ladder)trans-92.7101.6-175.8-56.3-68.6000111R375 R381 K393 F394 A395 Q396 S397R375-Y383 VanDerWaalsContact NH1-CE2 3.3Å; R381-Y383 PolarHBondContact O-N 2.78Å; Y383-K393 CarbonylContact O-C 3.58Å; Y383-K393 WeakPolarHBondContact O-CA 3.48Å; Y383-F394 WeakPolarHBondContact CB-O 3.06Å; Y383-F394 WeakPolarHBondContact CD2-O 3.45Å; Y383-F394 PolarHBondContact N-O 3.12Å; Y383-F394 VanDerWaalsContact N-O 3.13Å; Y383-F394 PolarHBondContact O-N 3.46Å; Y383-A395 WeakPolarHBondContact CE2-O 3.31Å; Y383-Q396 VanDerWaalsContact CE2-C 3.48Å; Y383-S397 VanDerWaalsContact CE2-N 3.27Å
384V94.8Very high93.3Very high73 Ų7379.7 Ų79.744%0.44244%0.435SS..EExtended strand (participates in β ladder)trans-94.1140.4179-171.40000110.3P382 K393P382-V384 PolarHBondContact O-N 3.46Å; V384-K393 HydrophobicContact CG1-CG 4.34Å; V384-K393 HydrophobicContact CG2-CD 4.13Å; V384-K393 HydrophobicContact CG2-CG 4.05Å
385C95.3Very high93.1Very high9 Ų978.4 Ų78.46%0.06143%0.43CS..  trans-60.3129.3172.4-170.30000111.1F387 C390 K392 L400 H403C385-F387 VanDerWaalsContact C-N 3.31Å; C385-F387 PolarHBondContact O-N 2.75Å; C385-C390 HydrophobicContact CB-CB 4.22Å; C385-C390 VanDerWaalsContact SG-SG 3.69Å; C385-K392 WeakPolarHBondContact CB-O 3.49Å; C385-K392 PolarHBondContact N-O 3.15Å; C385-L400 HydrophobicContact CB-CD1 4.32Å; C385-H403 PolarHBondContact SG-NE2 2.8Å; C385-H403 VanDerWaalsContact SG-NE2 3.42Å
386P93.5Very high92.9Very high100 Ų10079.3 Ų79.365%0.64944%0.436SS*.  trans-81.5-7.5-179.432.8-36.4000113.6I404P386-I404 HydrophobicContact CG-CD1 3.9Å; P386-I404 HydrophobicContact CG-CG1 4.31Å
387F92.3Very high92.8Very high59 Ų5976.7 Ų76.726%0.25943%0.427SS..SBendtrans-77.8129.1-178.9-71.9-87.8000111.4C385 G389 C390 I404 H407C385-F387 VanDerWaalsContact C-N 3.31Å; C385-F387 PolarHBondContact O-N 2.75Å; F387-G389 PolarHBondContact O-N 2.95Å; F387-C390 HydrophobicContact CB-CB 4.17Å; F387-C390 WeakPolarHBondContact O-CB 2.89Å; F387-C390 PolarHBondContact O-N 3.27Å; F387-I404 HydrophobicContact CD2-CG1 4.43Å; F387-I404 HydrophobicContact CE2-CB 4.18Å; F387-I404 HydrophobicContact CE2-CG1 4.04Å; F387-I404 HydrophobicContact CE2-CG2 3.85Å; F387-I404 HydrophobicContact CZ-CG2 4.41Å; F387-H407 HydrophobicContact CD1-CB 4.21Å; F387-H407 HydrophobicContact CD2-CB 3.99Å; F387-H407 AromaticContact CD2-CD2 3.5Å; F387-H407 AromaticContact CD2-CG 3.76Å; F387-H407 HydrophobicContact CE1-CB 4.04Å; F387-H407 HydrophobicContact CE2-CB 3.79Å; F387-H407 AromaticContact CE2-CD2 3.93Å; F387-H407 HydrophobicContact CG-CB 4.19Å; F387-H407 AromaticContact CG-CG 3.93Å; F387-H407 HydrophobicContact CZ-CB 3.82Å
388D90.8Very high92.7Very high177 Ų17777.8 Ų77.895%0.94744%0.438SS*.THydrogen-bonded Turntrans-59.1134.9176.7-167.744.2000111.3C390D388-C390 VanDerWaalsContact C-N 3.28Å; D388-C390 PolarHBondContact O-N 2.81Å
389G89Confident92.6Very high70 Ų7075.6 Ų75.672%0.72242%0.422SS*.THydrogen-bonded Turntrans78.9-3.2-172.300000115.7F387F387-G389 PolarHBondContact O-N 2.95Å
390C92.5Very high92.7Very high16 Ų1674.3 Ų74.311%0.10840%0.403CS..  trans-105.7102174.7-166.40000112.4C385 F387 D388 K392 H403 H407C385-C390 HydrophobicContact CB-CB 4.22Å; C385-C390 VanDerWaalsContact SG-SG 3.69Å; F387-C390 HydrophobicContact CB-CB 4.17Å; F387-C390 WeakPolarHBondContact O-CB 2.89Å; F387-C390 PolarHBondContact O-N 3.27Å; D388-C390 VanDerWaalsContact C-N 3.28Å; D388-C390 PolarHBondContact O-N 2.81Å; C390-K392 VanDerWaalsContact C-N 3.28Å; C390-K392 PolarHBondContact O-N 3.45Å; C390-H403 PolarHBondContact SG-NE2 3.03Å; C390-H407 VanDerWaalsContact SG-CE1 3.57Å; C390-H407 PolarHBondContact SG-NE2 2.99Å
391N92.4Very high92.6Very high149 Ų14977 Ų7780%0.79741%0.412SS*.  trans-8818.1-178.5-65-44.7000114.5
392K94.7Very high92.5Very high122 Ų12274.2 Ų74.253%0.5341%0.413SS..  trans-74.9133.2-176.8-66-175.1-172.7-178.20110.7C385 C390 F394C385-K392 WeakPolarHBondContact CB-O 3.49Å; C385-K392 PolarHBondContact N-O 3.15Å; C390-K392 VanDerWaalsContact C-N 3.28Å; C390-K392 PolarHBondContact O-N 3.45Å; K392-F394 HydrophobicContact CB-CE2 3.86Å; K392-F394 HydrophobicContact CB-CZ 3.93Å
393K95.1Very high92.6Very high110 Ų11071.9 Ų71.948%0.47840%0.397SS..EExtended strand (participates in β ladder)trans-119.4152.2177.7-52.7-171.9179.5-179.70110.9R381 Y383 V384R381-K393 HydrophobicContact CB-CB 3.72Å; R381-K393 PolarHBondContact NE-O 3.2Å; R381-K393 PolarHBondContact NH2-O 2.84Å; Y383-K393 CarbonylContact O-C 3.58Å; Y383-K393 WeakPolarHBondContact O-CA 3.48Å; V384-K393 HydrophobicContact CG1-CG 4.34Å; V384-K393 HydrophobicContact CG2-CD 4.13Å; V384-K393 HydrophobicContact CG2-CG 4.05Å
394F93.3Very high92.5Very high32 Ų3270.5 Ų70.514%0.1439%0.394CS..EExtended strand (participates in β ladder)trans-136.1146.4-175.7-57.2-89.1000111R381 Y383 K392 Q396 N399 L400 H403R381-F394 CarbonylContact C-O 3.46Å; R381-F394 VanDerWaalsContact C-O 3.28Å; R381-F394 VanDerWaalsContact CA-O 3.29Å; R381-F394 WeakPolarHBondContact CA-O 3.19Å; Y383-F394 WeakPolarHBondContact CB-O 3.06Å; Y383-F394 WeakPolarHBondContact CD2-O 3.45Å; Y383-F394 PolarHBondContact N-O 3.12Å; Y383-F394 VanDerWaalsContact N-O 3.13Å; Y383-F394 PolarHBondContact O-N 3.46Å; K392-F394 HydrophobicContact CB-CE2 3.86Å; K392-F394 HydrophobicContact CB-CZ 3.93Å; F394-Q396 VanDerWaalsContact C-N 3.33Å; F394-N399 HydrophobicContact CB-CB 4.25Å; F394-N399 HydrophobicContact CD1-CB 3.8Å; F394-N399 HydrophobicContact CG-CB 4.28Å; F394-L400 HydrophobicContact CB-CB 4.3Å; F394-L400 HydrophobicContact CD2-CB 3.88Å; F394-L400 HydrophobicContact CD2-CD1 3.86Å; F394-L400 HydrophobicContact CD2-CG 4.49Å; F394-L400 HydrophobicContact CE2-CD1 4.05Å; F394-L400 HydrophobicContact CG-CB 4.25Å; F394-H403 HydrophobicContact CE1-CB 4.02Å; F394-H403 HydrophobicContact CE2-CB 3.82Å; F394-H403 AromaticContact CE2-CD2 3.44Å; F394-H403 VanDerWaalsContact CE2-CD2 3.44Å; F394-H403 WeakPolarHBondContact CE2-CD2 3.41Å; F394-H403 AromaticContact CE2-CG 3.71Å; F394-H403 HydrophobicContact CZ-CB 3.37Å; F394-H403 AromaticContact CZ-CD2 3.53Å; F394-H403 AromaticContact CZ-CG 3.33Å
395A90.9Very high92.3Very high24 Ų2472 Ų7220%0.19840%0.399CS..SBendtrans-76.9-22173.900000112.2R375 Y383R375-A395 HydrophobicContact CB-CB 4.22Å; R375-A395 PolarHBondContact NH1-O 2.92Å; Y383-A395 WeakPolarHBondContact CE2-O 3.31Å
396Q89.6Confident92.2Very high68 Ų6874.9 Ų74.932%0.31842%0.417SS..SBendtrans-126.4146-178.2-58.4-168.62.100112.8T372 Y383 F394 T398 N399 L400T372-Q396 HydrophobicContact CG2-CG 3.53Å; Y383-Q396 VanDerWaalsContact CE2-C 3.48Å; F394-Q396 VanDerWaalsContact C-N 3.33Å; Q396-T398 PolarHBondContact OE1-OG1 3.36Å; Q396-N399 HydrophobicContact CB-CB 4.46Å; Q396-N399 PolarHBondContact O-N 3.19Å; Q396-L400 PolarHBondContact O-N 3.35Å
397S90.9Very high91.9Very high44 Ų4472.2 Ų72.231%0.30840%0.395SS..Hα-helixtrans-71.9-32.4-178.275.40000112.7Y383 L400 K401Y383-S397 VanDerWaalsContact CE2-N 3.27Å; S397-L400 PolarHBondContact O-N 3.24Å; S397-K401 WeakPolarHBondContact O-CG 3.28Å; S397-K401 PolarHBondContact O-N 3.29Å
398T91.1Very high91.5Very high78 Ų7871.7 Ų71.748%0.47940%0.402SS..Hα-helixtrans-59.6-46.1173.743.50000111Q396 L400 K401 S402Q396-T398 PolarHBondContact OE1-OG1 3.36Å; T398-L400 VanDerWaalsContact C-N 3.35Å; T398-L400 PolarHBondContact O-N 3.28Å; T398-K401 PolarHBondContact O-N 3.24Å; T398-S402 PolarHBondContact O-N 2.83Å
399N92.2Very high90.7Very high47 Ų4770.5 Ų70.525%0.25139%0.388SS..Hα-helixtrans-64.3-40.7177.4-64.316.1000111.2F394 Q396 H403F394-N399 HydrophobicContact CB-CB 4.25Å; F394-N399 HydrophobicContact CD1-CB 3.8Å; F394-N399 HydrophobicContact CG-CB 4.28Å; Q396-N399 HydrophobicContact CB-CB 4.46Å; Q396-N399 PolarHBondContact O-N 3.19Å; N399-H403 WeakPolarHBondContact O-CB 3.46Å; N399-H403 PolarHBondContact O-N 3.28Å
400L94.2Very high89.7Confident23 Ų2370.2 Ų70.212%0.1238%0.379CS..Hα-helixtrans-60.6-47.1172.3170.963.1000111.5C385 F394 Q396 S397 T398 S402 H403 I404C385-L400 HydrophobicContact CB-CD1 4.32Å; F394-L400 HydrophobicContact CB-CB 4.3Å; F394-L400 HydrophobicContact CD2-CB 3.88Å; F394-L400 HydrophobicContact CD2-CD1 3.86Å; F394-L400 HydrophobicContact CD2-CG 4.49Å; F394-L400 HydrophobicContact CE2-CD1 4.05Å; F394-L400 HydrophobicContact CG-CB 4.25Å; Q396-L400 PolarHBondContact O-N 3.35Å; S397-L400 PolarHBondContact O-N 3.24Å; T398-L400 VanDerWaalsContact C-N 3.35Å; T398-L400 PolarHBondContact O-N 3.28Å; L400-S402 PolarHBondContact O-N 3.31Å; L400-H403 WeakPolarHBondContact O-CB 3.15Å; L400-H403 PolarHBondContact O-N 3.26Å; L400-I404 HydrophobicContact CD1-CD1 3.85Å; L400-I404 HydrophobicContact CD1-CG1 4Å; L400-I404 HydrophobicContact CD2-CD1 4.36Å; L400-I404 HydrophobicContact CG-CD1 3.81Å; L400-I404 HydrophobicContact CG-CG1 4.39Å; L400-I404 WeakPolarHBondContact O-CG1 3.34Å; L400-I404 PolarHBondContact O-N 2.82Å
401K92.4Very high88.1Confident135 Ų13576 Ų7659%0.58740%0.403SS*.Hα-helixtrans-59.9-46.6179.3-73.7172.4-175.7177.20111.6S397 T398 H403 I404 L405S397-K401 WeakPolarHBondContact O-CG 3.28Å; S397-K401 PolarHBondContact O-N 3.29Å; T398-K401 PolarHBondContact O-N 3.24Å; K401-H403 VanDerWaalsContact C-N 3.32Å; K401-H403 PolarHBondContact O-N 3.5Å; K401-I404 WeakPolarHBondContact O-CB 3.37Å; K401-I404 PolarHBondContact O-N 2.85Å; K401-L405 WeakPolarHBondContact O-CG 3.35Å; K401-L405 PolarHBondContact O-N 3.08Å
402S92.1Very high86.5Confident79 Ų7975.7 Ų75.755%0.55240%0.401SS*.Hα-helixtrans-60.4-43.1175.7-176.50000111.5T398 L400 I404 L405T398-S402 PolarHBondContact O-N 2.83Å; L400-S402 PolarHBondContact O-N 3.31Å; S402-I404 PolarHBondContact O-N 3.13Å; S402-L405 WeakPolarHBondContact O-CB 3.49Å; S402-L405 PolarHBondContact O-N 2.91Å
403H92.9Very high84.3Confident17 Ų1777.4 Ų77.48%0.07942%0.416CS..Hα-helixtrans-61.4-43.7174.4172.953.2000112.8C385 C390 F394 N399 L400 K401 L405 T406 H407C385-H403 PolarHBondContact SG-NE2 2.8Å; C385-H403 VanDerWaalsContact SG-NE2 3.42Å; C390-H403 PolarHBondContact SG-NE2 3.03Å; F394-H403 HydrophobicContact CE1-CB 4.02Å; F394-H403 HydrophobicContact CE2-CB 3.82Å; F394-H403 AromaticContact CE2-CD2 3.44Å; F394-H403 VanDerWaalsContact CE2-CD2 3.44Å; F394-H403 WeakPolarHBondContact CE2-CD2 3.41Å; F394-H403 AromaticContact CE2-CG 3.71Å; F394-H403 HydrophobicContact CZ-CB 3.37Å; F394-H403 AromaticContact CZ-CD2 3.53Å; F394-H403 AromaticContact CZ-CG 3.33Å; N399-H403 WeakPolarHBondContact O-CB 3.46Å; N399-H403 PolarHBondContact O-N 3.28Å; L400-H403 WeakPolarHBondContact O-CB 3.15Å; L400-H403 PolarHBondContact O-N 3.26Å; K401-H403 VanDerWaalsContact C-N 3.32Å; K401-H403 PolarHBondContact O-N 3.5Å; H403-L405 PolarHBondContact O-N 3.25Å; H403-T406 PolarHBondContact ND1-OG1 2.73Å; H403-T406 WeakPolarHBondContact O-CB 3.38Å; H403-T406 PolarHBondContact O-N 3.23Å; H403-T406 PolarHBondContact O-OG1 3.24Å; H403-H407 AromaticContact CE1-CD2 3.75Å; H403-H407 AromaticContact CE1-NE2 3.18Å; H403-H407 PolarHBondContact CE1-NE2 2.99Å; H403-H407 AromaticContact NE2-CD2 3.63Å; H403-H407 AromaticContact NE2-NE2 2.99Å; H403-H407 PolarHBondContact NE2-NE2 3.11Å
404I91.9Very high81.9Confident49 Ų4983 Ų8325%0.25144%0.444SS..Hα-helixtrans-55.3-38.9176.4-78.5168.6000111.2P386 F387 L400 K401 S402 T406 H407 A408P386-I404 HydrophobicContact CG-CD1 3.9Å; P386-I404 HydrophobicContact CG-CG1 4.31Å; F387-I404 HydrophobicContact CD2-CG1 4.43Å; F387-I404 HydrophobicContact CE2-CB 4.18Å; F387-I404 HydrophobicContact CE2-CG1 4.04Å; F387-I404 HydrophobicContact CE2-CG2 3.85Å; F387-I404 HydrophobicContact CZ-CG2 4.41Å; L400-I404 HydrophobicContact CD1-CD1 3.85Å; L400-I404 HydrophobicContact CD1-CG1 4Å; L400-I404 HydrophobicContact CD2-CD1 4.36Å; L400-I404 HydrophobicContact CG-CD1 3.81Å; L400-I404 HydrophobicContact CG-CG1 4.39Å; L400-I404 WeakPolarHBondContact O-CG1 3.34Å; L400-I404 PolarHBondContact O-N 2.82Å; K401-I404 WeakPolarHBondContact O-CB 3.37Å; K401-I404 PolarHBondContact O-N 2.85Å; S402-I404 PolarHBondContact O-N 3.13Å; I404-T406 PolarHBondContact O-N 2.91Å; I404-H407 WeakPolarHBondContact O-CB 3.12Å; I404-H407 PolarHBondContact O-N 2.97Å; I404-H407 VanDerWaalsContact O-N 3.13Å; I404-A408 PolarHBondContact O-N 3.08Å
405L91.9Very high81.3Confident104 Ų10485.6 Ų85.655%0.54546%0.459SS..Hα-helixtrans-63.2-26.3176.6-64.5173.5000113K401 S402 H403 H407 A408 K409K401-L405 WeakPolarHBondContact O-CG 3.35Å; K401-L405 PolarHBondContact O-N 3.08Å; S402-L405 WeakPolarHBondContact O-CB 3.49Å; S402-L405 PolarHBondContact O-N 2.91Å; H403-L405 PolarHBondContact O-N 3.25Å; L405-H407 VanDerWaalsContact C-N 3.31Å; L405-H407 PolarHBondContact O-N 3.43Å; L405-A408 PolarHBondContact O-N 3.1Å; L405-K409 WeakPolarHBondContact O-CG 3.33Å; L405-K409 PolarHBondContact O-N 2.9Å
406T92.6Very high80.8Confident70 Ų7088.8 Ų88.843%0.42947%0.473SS..Hα-helixtrans-66.9-33.3175.770.60000112.3H403 I404 K409 A410H403-T406 PolarHBondContact ND1-OG1 2.73Å; H403-T406 WeakPolarHBondContact O-CB 3.38Å; H403-T406 PolarHBondContact O-N 3.23Å; H403-T406 PolarHBondContact O-OG1 3.24Å; I404-T406 PolarHBondContact O-N 2.91Å; T406-K409 PolarHBondContact O-N 3.07Å; T406-A410 WeakPolarHBondContact O-CB 3.35Å; T406-A410 PolarHBondContact O-N 3.32Å
407H87.9Confident80.3Confident43 Ų4390 Ų9020%0.19948%0.481CS..Hα-helixtrans-68.8-38.4173.9-69.6-73.9000111.9F387 C390 H403 I404 L405 A410 K411F387-H407 HydrophobicContact CD1-CB 4.21Å; F387-H407 HydrophobicContact CD2-CB 3.99Å; F387-H407 AromaticContact CD2-CD2 3.5Å; F387-H407 AromaticContact CD2-CG 3.76Å; F387-H407 HydrophobicContact CE1-CB 4.04Å; F387-H407 HydrophobicContact CE2-CB 3.79Å; F387-H407 AromaticContact CE2-CD2 3.93Å; F387-H407 HydrophobicContact CG-CB 4.19Å; F387-H407 AromaticContact CG-CG 3.93Å; F387-H407 HydrophobicContact CZ-CB 3.82Å; C390-H407 VanDerWaalsContact SG-CE1 3.57Å; C390-H407 PolarHBondContact SG-NE2 2.99Å; H403-H407 AromaticContact CE1-CD2 3.75Å; H403-H407 AromaticContact CE1-NE2 3.18Å; H403-H407 PolarHBondContact CE1-NE2 2.99Å; H403-H407 AromaticContact NE2-CD2 3.63Å; H403-H407 AromaticContact NE2-NE2 2.99Å; H403-H407 PolarHBondContact NE2-NE2 3.11Å; I404-H407 WeakPolarHBondContact O-CB 3.12Å; I404-H407 PolarHBondContact O-N 2.97Å; I404-H407 VanDerWaalsContact O-N 3.13Å; L405-H407 VanDerWaalsContact C-N 3.31Å; L405-H407 PolarHBondContact O-N 3.43Å; H407-A410 PolarHBondContact O-N 3.31Å; H407-K411 WeakPolarHBondContact O-CG 3.18Å; H407-K411 PolarHBondContact O-N 2.89Å
408A82.5Confident79.7Confident49 Ų4992.7 Ų92.741%0.40549%0.492SS..Hα-helixtrans-65.4-40.6175.900000111.9I404 L405 K411 N412I404-A408 PolarHBondContact O-N 3.08Å; L405-A408 PolarHBondContact O-N 3.1Å; A408-K411 PolarHBondContact O-N 3.03Å; A408-N412 PolarHBondContact O-N 2.87Å
409K75.2Confident79Confident152 Ų15293.6 Ų93.666%0.66149%0.492SS*.Hα-helixtrans-67-37.4176-70177.4-177.8-177.50112.5L405 T406 K411 N412L405-K409 WeakPolarHBondContact O-CG 3.33Å; L405-K409 PolarHBondContact O-N 2.9Å; T406-K409 PolarHBondContact O-N 3.07Å; K409-K411 VanDerWaalsContact C-N 3.32Å; K409-K411 PolarHBondContact O-N 3.14Å; K409-N412 PolarHBondContact O-N 3.09Å
410A66.5Low78.1Confident64 Ų6496.7 Ų96.753%0.52951%0.508SS..Hα-helixtrans-65.6-33.1176.600000112.9T406 H407T406-A410 WeakPolarHBondContact O-CB 3.35Å; T406-A410 PolarHBondContact O-N 3.32Å; H407-A410 PolarHBondContact O-N 3.31Å
411K60.5Low77Confident138 Ų138102 Ų10260%0.654%0.536SS*.Hα-helixtrans-75.7-23178.2-72.7-177.2179.8-172.90114.7H407 A408 K409H407-K411 WeakPolarHBondContact O-CG 3.18Å; H407-K411 PolarHBondContact O-N 2.89Å; A408-K411 PolarHBondContact O-N 3.03Å; K409-K411 VanDerWaalsContact C-N 3.32Å; K409-K411 PolarHBondContact O-N 3.14Å
412N57.3Low75.8Confident141 Ų14199.5 Ų99.575%0.75453%0.532SS*.Hα-helixtrans-88.4-9.4179.3-80.9-6.6000113.7A408 K409A408-N412 PolarHBondContact O-N 2.87Å; K409-N412 PolarHBondContact O-N 3.09Å
413N50.1Low74.4Confident158 Ų158101.2 Ų101.285%0.84553%0.531SS*.THydrogen-bonded Turntrans-103.213.8179-96.6-0.3000112.9
414Q43.9Very low72.8Confident229 Ų229108.8 Ų108.8100%1.0757%0.572SS**  trans-124.90177.2-170.4160.130.200108.7

Retrieved 414 of 414 residues in 152.5 ms (Link to these results)