X2JEU3_DROME Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession X2JEU3, Species DROME (Drosophila melanogaster, Fruit fly), Gene Dmel\CG1737, Length 924 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M33.3Very low31.7Very low243 Ų243160.3 Ų160.3100%1.19788%0.882SS**  0121.20-71.3-170.2-66.800111
2R25.8Very low31.9Very low255 Ų255157.8 Ų157.896%0.96288%0.875SS**  trans-172.6129.8137.1-109.9-175-176.6-160.73.8108.1
3A35.6Very low32Very low114 Ų114156.2 Ų156.294%0.94285%0.853SS**  trans-83.5116.6179.800000110.4
4G26.6Very low32.3Very low74 Ų74159.4 Ų159.476%0.76386%0.855SS**  trans-107.1125.7165.500000109.3
5K39.7Very low32.4Very low209 Ų209156.3 Ų156.391%0.90984%0.843SS**  trans-87.7109-177-171.9-173.1-178.7-168.90110.1
6K32.9Very low32.5Very low205 Ų205161.6 Ų161.689%0.89185%0.848SS**  trans-139.3157.4164.4-83.4-163.3173.1-173.70110.7
7E34.3Very low32.4Very low185 Ų185160.7 Ų160.786%0.86484%0.844SS**  trans-100.5-176.1-175.9-64162.8134.500110.9
8A29.9Very low32.4Very low100 Ų100156.2 Ų156.283%0.82683%0.827SS**  trans69.7112.8-176.300000115.2
9A30.7Very low32.6Very low106 Ų106153.3 Ų153.388%0.87681%0.811SS**  trans-74.9136.6159.900000108.9
10E29.9Very low32.5Very low186 Ų186150.4 Ų150.487%0.86980%0.799SS**  trans-78.2134.2-168.9-166.7164.8-169.400112.1
11S30.5Very low32.5Very low86 Ų86152 Ų15260%0.60180%0.795SS**  trans-94.6102.4-178.452.50000110.8K13S11-K13 VanDerWaalsContact C-N 3.33Å; S11-K13 PolarHBondContact O-N 3.46Å
12V33.8Very low32.5Very low131 Ų131145.2 Ų145.279%0.79477%0.768SS**  trans-71.686.3178.8-176.30000110.2
13K33.5Very low32.8Very low137 Ų137143.8 Ų143.860%0.59676%0.762SS**  trans-82114.1176.7-64.3178.4-176.2-177.80110.3S11S11-K13 VanDerWaalsContact C-N 3.33Å; S11-K13 PolarHBondContact O-N 3.46Å
14K36.1Very low32.8Very low201 Ų201145.5 Ų145.587%0.87476%0.755SS**  trans-100.1112161.4-76-171175.7-177.20109.2
15T33.3Very low33.4Very low112 Ų112149.1 Ų149.169%0.68776%0.757SS**  trans-78.9151.7170.942.30000110.9
16R33.8Very low33Very low241 Ų241149.9 Ų149.991%0.90976%0.755SS**  trans-132.5131.7164.1-82.3-176166.3-179.2-4.8107.9
17N30.9Very low32.9Very low147 Ų147147.5 Ų147.579%0.78675%0.752SS**  trans-82.7130.7176.3-61.4-9.7000108.8
18C32.6Very low32.5Very low79 Ų79147.9 Ų147.953%0.53475%0.754SS.*  trans-109.5148.1167.550.30000109.7
19I36.1Very low32.6Very low101 Ų101148.6 Ų148.652%0.51875%0.753SS.*  trans-122.4122.5177.1-60176.7000107Y21I19-Y21 HydrophobicContact CG2-CD2 4.15Å; I19-Y21 HydrophobicContact CG2-CE2 3.67Å
20V31.1Very low32.6Very low96 Ų96148.2 Ų148.258%0.58274%0.744SS**  trans-111.9111.8180-178.80000108.9V22V20-V22 HydrophobicContact CG1-CG2 4.46Å; V20-V22 PolarHBondContact O-N 3.33Å
21Y31.9Very low32.7Very low183 Ų183143.9 Ų143.972%0.71873%0.734SS**  trans-85.5102.2174.3-68.6-85.3000110.2I19 R23I19-Y21 HydrophobicContact CG2-CD2 4.15Å; I19-Y21 HydrophobicContact CG2-CE2 3.67Å; Y21-R23 PolarHBondContact O-N 3.34Å
22V34.1Very low32.8Very low102 Ų102150.9 Ų150.962%0.61875%0.748SS**  trans-78107.8170.1-177.70000108.6V20V20-V22 HydrophobicContact CG1-CG2 4.46Å; V20-V22 PolarHBondContact O-N 3.33Å
23R32.1Very low32.7Very low224 Ų224152.3 Ų152.385%0.84574%0.743SS**  trans-86.8111.7173.3-173-177.3-66.1172.8-1.1108.7Y21 L25Y21-R23 PolarHBondContact O-N 3.34Å; R23-L25 PolarHBondContact O-N 2.6Å
24N34Very low32.6Very low150 Ų150151.8 Ų151.880%0.80275%0.747SS**  trans-59.3132.1175.5-73.3-9.7000110.5
25L41.2Very low32.3Very low151 Ų151148.6 Ų148.679%0.79174%0.744SS**  trans-119104.4172.6-81.8166.8000107.9R23R23-L25 PolarHBondContact O-N 2.6Å
26Y30.8Very low33.1Very low225 Ų225149 Ų14988%0.88275%0.749SS**  trans-156.9155.8146.4-97.5-66.1000109.4
27D29.5Very low32.9Very low155 Ų155142.7 Ų142.783%0.82975%0.748SS**  trans53.281.3172.2-61.1-5.3000118.3
28E27Very low32.9Very low192 Ų192139.1 Ų139.190%0.89775%0.746SS**  -136.3126.8128-163.4175.7172.500109.8
29S31.1Very low32.9Very low115 Ų115144.6 Ų144.680%0.80476%0.76SS**  trans-128.6143.5172.975.20000109.8
30S31.2Very low32.7Very low99 Ų99146.6 Ų146.669%0.69277%0.772SS**SBendtrans85.6110.5178.6-154.40000118.9
31S31.6Very low32.8Very low94 Ų94152 Ų15266%0.65779%0.787SS**  trans64.598.7133.365.60000122.3
32R33.1Very low32.8Very low234 Ų234147.1 Ų147.188%0.88379%0.793SS**  64.7118.3122.2-68.5-176.8174.7-175.2-0.5120.9
33K32.4Very low32.7Very low161 Ų161153.3 Ų153.370%0.781%0.805SS**  90.5140.7125.5-96.4-179137.2-72.70121.2
34D30.9Very low32.7Very low126 Ų126148 Ų14867%0.67479%0.794SS**  trans77.2132.4149.4-55-21.3000120.7
35T30Very low32.5Very low134 Ų134147.3 Ų147.382%0.82279%0.79SS**  trans-118.3-178.9176.839.80000108.9
36P48.8Very low32Very low120 Ų120147.9 Ų147.978%0.77979%0.789SS**  cis-131150.9-41.133.1-18.3000112.4
37A31.3Very low32Very low109 Ų109146.7 Ų146.790%0.90178%0.783SS**  trans-160.6153.9156.600000110.8
38G31.1Very low32.1Very low71 Ų71145.8 Ų145.873%0.73277%0.773SS**  trans-140.5137.9168.800000111.4
39K31.7Very low32.3Very low194 Ų194141 Ų14184%0.84376%0.757SS**  trans-175.2142151.1-106.7170.3-175.8-179.30112
40L32.1Very low32.4Very low144 Ų144143.7 Ų143.775%0.75476%0.757SS**  trans58106146.2-60.5168.7000120.5
41K33.9Very low32.5Very low208 Ų208146.6 Ų146.690%0.90476%0.76SS**  44101.1109-166.4-175.8-174-176.50116.9
42G31.1Very low32.6Very low82 Ų82149.7 Ų149.785%0.84576%0.764SS**  trans-156.2163.9169.500000111.9
43R32.1Very low32.7Very low231 Ų231144.3 Ų144.387%0.87275%0.752SS**  trans-135.5155-173.6-129.2-177.8-178-179.71.9110.7
44D31.4Very low32.7Very low112 Ų112147.9 Ų147.960%0.59976%0.761SS**  trans61.3107.9151.4-67-53.8000122.1
45N30.7Very low32.7Very low137 Ų137144.7 Ų144.773%0.73376%0.758SS**  70.3155.1119-79.4-62.6000123.5
46Q31.1Very low32.9Very low162 Ų162144.2 Ų144.276%0.75776%0.755SS**  trans77124.4161-78.7-174.677.800117.3
47R30.5Very low32.2Very low200 Ų200148.9 Ų148.976%0.75576%0.757SS**  74.9139.782.6-84.6-175.3-173.3-11813.4112.4
48E30.9Very low32.2Very low136 Ų136149.6 Ų149.664%0.63675%0.751SS**  cis-168.5174.7-1.4-144.7175.7124.800112.4
49V32.1Very low32.2Very low92 Ų92151.3 Ų151.356%0.55875%0.747SS**  trans42.3124.8161.4-147.90000122.4
50Q32.2Very low32.2Very low171 Ų171152.6 Ų152.680%0.79975%0.747SS**  164.3118117.5-85-178.520.300109.3
51Q33.3Very low32.4Very low161 Ų161155.1 Ų155.175%0.75275%0.746SS**  70.8136.272.4-74.2-174.5-0.900113
52E33.3Very low32.4Very low158 Ų158152.2 Ų152.274%0.73874%0.736SS**  cis-124.5-164.613.9-102.6-125.578.200111.6
53L36.3Very low32.4Very low122 Ų122153.2 Ų153.264%0.63973%0.73SS**  cis-147.4-119.313.8-142.4179.5000112.4
54R31.3Very low32.3Very low235 Ų235148.5 Ų148.589%0.88773%0.726SS**  trans-104160.4-173-73.6155-162.1-164.21.3113.4
55G31Very low32.2Very low60 Ų60148.6 Ų148.662%0.61973%0.731SS**  cis180131.1-4.500000117.2
56T35.6Very low32.2Very low124 Ų124149.9 Ų149.976%0.76173%0.733SS**  trans61110.613256.90000124.9
57R32.3Very low32.2Very low217 Ų217150.5 Ų150.582%0.81974%0.735SS**  70149.6122.3-61.9165.691.91665.2117.9
58T32.3Very low32.2Very low125 Ų125149.4 Ų149.477%0.76774%0.736SS**  cis-132.4130.735.448.10000113.5
59T32Very low32.7Very low107 Ų107148.6 Ų148.666%0.65674%0.743SS**  51.7137.285.262.80000115.7
60R31.6Very low32.9Very low221 Ų221149.5 Ų149.583%0.83475%0.749SS**  -165.8123.150.5171.2171.8177.6172.21.1116.1
61R35Very low33.8Very low196 Ų196146.8 Ų146.874%0.7475%0.746SS**  trans65.1129.2139.4-75-172.9173.2-131.311.6121.4
62Q35Very low33.6Very low148 Ų148148.5 Ų148.569%0.69275%0.745SS**  77.5149.483.8-71.3178.8-34.200114.7
63S31.3Very low33.5Very low103 Ų103145 Ų14572%0.7274%0.735SS**  cis-160.2165.32.7300000113.7
64V29.2Very low33.6Very low131 Ų131147.8 Ų147.879%0.79474%0.737SS**  trans-17.6142.6153.5-158.80000117.2
65V30.1Very low33.8Very low114 Ų114142.8 Ų142.869%0.69172%0.723SS**  160128.7126.9157.90000114.7
66Q30.1Very low34.1Very low165 Ų165143.7 Ų143.777%0.77173%0.725SS**  trans54.6157.7152-74.8170.5-83.300126.1
67E30.3Very low34.4Very low174 Ų174143.9 Ų143.981%0.81373%0.726SS**  trans77.899.9150.1-82.1174.9-177.800124.6
68K31.5Very low34.8Very low178 Ų178142.9 Ų142.977%0.77473%0.727SS**  trans-40.9137.2138.8177.7176.7179.1-173.60110.8
69P42Very low36.5Very low119 Ų119142.7 Ų142.777%0.77373%0.728SS**  -143.7164.272.138.8-20.5000120.3
70T34.4Very low36.7Very low111 Ų111142.4 Ų142.468%0.68174%0.737SS**  trans-58168.6162.348.80000113.1
71P51.4Low37Very low114 Ų114136.2 Ų136.274%0.7473%0.732SS**  cis-148.6-161.928.643-21000117.5
72R30.5Very low37Very low196 Ų196135 Ų13574%0.7474%0.74SS**  trans92.881.5155.3-83.2-179.8167168-3.9121.6
73T31.2Very low36.9Very low85 Ų85133.2 Ų133.252%0.52174%0.743SS.*  67.1130.6107.1-51.70000122.8L685T73-L685 HydrophobicContact CG2-CD1 3.89Å; T73-L685 HydrophobicContact CG2-CD2 3.84Å; T73-L685 HydrophobicContact CG2-CG 3.74Å
74R38.4Very low37.9Very low181 Ų181134.6 Ų134.668%0.68375%0.75SS**  trans6.8147.1141.1-62.9173.5170.6-148.93.5119.2
75H34.7Very low38.1Very low130 Ų130133.5 Ų133.560%0.60275%0.748SS**  cis-159.115111.6-108.6-41.8000113.2N683H75-N683 PolarHBondContact CD2-ND2 3.34Å
76A36.5Very low39.4Very low78 Ų78133.3 Ų133.365%0.64575%0.75SS**  trans48.5114.9140.100000125.5
77V42.5Very low39.4Very low129 Ų129130.5 Ų130.578%0.78275%0.748SS**  70.8106122.2-176.50000122.3
78K40.7Very low39.6Very low195 Ų195127.6 Ų127.685%0.84875%0.747SS**  45.7177.2122.7-61.7-172174.7-176.50122.1
79P67.7Low40.4Very low122 Ų122125 Ų12579%0.79275%0.748SS**  -138.9-179-56.442-25.9000114.4
80A36.9Very low40Very low101 Ų101125.2 Ų125.284%0.83575%0.752SS**  trans177.1167.815000000109.8
81A37.2Very low39.9Very low90 Ų90124 Ų12474%0.74475%0.754SS**  cis-166.5154.5-39.500000105.9
82L36.1Very low39Very low171 Ų171129.5 Ų129.590%0.89576%0.76SS**  179177.473.1-101.1171.6000110.6
83S32.8Very low39Very low110 Ų110124.8 Ų124.877%0.76976%0.757SS**  trans-92.8174.3-176.7-39.10000114.1
84P50.8Low39.1Very low132 Ų132129.9 Ų129.986%0.85777%0.772SS**  -141.3-164.672.436.6-16000115.7
85S34.6Very low38.9Very low109 Ų109128.8 Ų128.876%0.76278%0.779SS**  trans-134.1-164.3-163.165.40000111.3
86P56.1Low38.8Very low110 Ų110127.6 Ų127.671%0.71479%0.785SS**  cis-135.1172.8-12.340.6-24.1000115.7
87S30.4Very low38.6Very low105 Ų105133.2 Ų133.273%0.73479%0.79SS**  154.5145.7116.461.10000116.1
88S35.4Very low38.2Very low113 Ų113133.8 Ų133.879%0.7978%0.784SS**  trans69142.9156.4-46.70000120.4
89P49Very low37.9Very low123 Ų123129.4 Ų129.480%0.79978%0.778SS**  trans-107.8156.8179.440.2-33.3000114.2
90S31.6Very low36.5Very low124 Ų124127.7 Ų127.787%0.86777%0.774SS**  168.8168.3106.3-160.60000111.7
91A33.2Very low36.2Very low87 Ų87129.1 Ų129.172%0.71977%0.772SS**  trans-92.1161.4176.200000110.9
92R31.7Very low35.9Very low229 Ų229132.5 Ų132.586%0.86477%0.77SS**  cis-157.91488.1-154.1176.9178.7178.6-2.1110.2
93S32Very low35.6Very low97 Ų97130.9 Ų130.968%0.67876%0.758SS**  trans36105.3157.552.50000119.4
94K33.1Very low35.5Very low191 Ų191134 Ų13483%0.8376%0.76SS**  83.4118.670.3-86.5-164.3171.9-172.30116.2
95L32.8Very low36.1Very low158 Ų158132.5 Ų132.583%0.82775%0.75SS**  trans65.4147.7151.4-58.6163.5000117.2
96S33.2Very low36.1Very low105 Ų105132.6 Ų132.673%0.73475%0.751SS**  cis-168.3166.7-21540000106
97R33.8Very low35Very low196 Ų196133 Ų13374%0.7476%0.756SS**  cis-175.2153.135.1174.9-179.7159.6164.20.8109
98E32.4Very low35.3Very low141 Ų141135.3 Ų135.366%0.65976%0.761SS**  trans63.2152.9163.8-81.6157.4-17900118.7
99S35.3Very low35.1Very low104 Ų104137.7 Ų137.773%0.72776%0.764SS**  cis-156.5157.26.6-118.70000114.4
100A37.4Very low34.2Very low86 Ų86135.7 Ų135.771%0.71176%0.757SS**  trans72.3117.8143.300000125.6
101V32.2Very low34.4Very low131 Ų131139.1 Ų139.179%0.79476%0.757SS**  84.4117.3122.51750000123.1
102K30.6Very low34.3Very low161 Ų161144.6 Ų144.670%0.776%0.759SS**  trans42.3152.8140.2-74.1-168.6165.4-126.10122.6
103E29.3Very low34.4Very low136 Ų136144.2 Ų144.264%0.63676%0.757SS**  cis-163.6153.5-13.5-126164.5-162.600111.9
104Q31.1Very low34.4Very low177 Ų177142.9 Ų142.983%0.82776%0.759SS**  trans61.2163.4157.3-70.6-70.4-55.900120
105P62.8Low34.3Very low99 Ų99140.8 Ų140.864%0.64376%0.757SS**  trans-135.8-171.3-151.945.8-30.2000117.5
106S34.4Very low34.5Very low112 Ų112140 Ų14078%0.78375%0.753SS**  trans100.7173.1147.384.80000120.1
107S33.7Very low34.6Very low117 Ų117141.8 Ų141.882%0.81875%0.753SS**  trans94.5157.717380.30000119.2
108N35.4Very low34.6Very low155 Ų155140.8 Ų140.883%0.82976%0.762SS**  trans-122.1-175.7-172.4-89.5-74000110.1
109L31.8Very low34.5Very low162 Ų162137.6 Ų137.685%0.84877%0.766SS**  trans81.995.6160.3-66.9156.9000119.5
110A31.1Very low34.2Very low81 Ų81136.5 Ų136.567%0.66977%0.771SS**  48.5123.811600000123
111K34.8Very low33.9Very low197 Ų197137.5 Ų137.586%0.85777%0.774SS**  trans63.6113.9137.8-67.2176.4177.2173.40120.1
112R31.7Very low33.8Very low202 Ų202137.6 Ų137.676%0.76277%0.77SS**  153.2143.2102.8-105.1173.1160.5-170.4-3.3115.5
113R34.1Very low33.9Very low220 Ų220138 Ų13883%0.8377%0.774SS**  trans63.9152.2154.8-63.5168.4171.2-173.2-6.5116.2
114G30.8Very low34.7Very low69 Ų69136.7 Ų136.771%0.71178%0.777SS**  cis-167.8134-12.300000108
115N32.1Very low34.8Very low148 Ų148136 Ų13679%0.79178%0.778SS**  87.713483.8-156.650.3000114.4
116L35.7Very low33.1Very low140 Ų140136 Ų13673%0.73378%0.781SS**  trans75.8144.3175.6-46-178.2000116.8
117L35.2Very low33Very low144 Ų144138.4 Ų138.475%0.75478%0.783SS**  cis-166.1144.6-18.1-123174.3000110.8
118L33.8Very low33.1Very low175 Ų175137.7 Ų137.792%0.91678%0.778SS**  trans-172.4108155.3-111153.1000112.5
119G30.2Very low33.7Very low73 Ų73136 Ų13675%0.75378%0.775SS**  trans67.9132.717300000116.5
120G29.1Very low33.8Very low81 Ų81136.9 Ų136.984%0.83577%0.774SS**  cis106.9111.74.400000111.4
121S32.8Very low34Very low108 Ų108141.9 Ų141.976%0.75578%0.781SS**  cis-152.4-1720.260.80000108.7
122N28.3Very low34Very low133 Ų133140.2 Ų140.271%0.71178%0.781SS**  cis-157.9-159.515.3-145.7-48.8000111.8
123H34.4Very low33.9Very low170 Ų170134.1 Ų134.179%0.78778%0.781SS**  trans-113.2-174.2-179.4-60.3-69.1000110.9
124P44.7Very low33.9Very low107 Ų107131.7 Ų131.770%0.69578%0.784SS**  cis-142.6174.67.443.7-23.9000118.6
125L33Very low33.9Very low163 Ų163135.9 Ų135.985%0.85379%0.79SS**  trans17.1155.4130.2-49.7173.4000118.8
126S28.8Very low34Very low100 Ų100137.8 Ų137.870%0.69979%0.791SS**  cis158.8-175.4-1.4-179.50000105.8
127I31.2Very low34.7Very low161 Ų161136.5 Ų136.583%0.82679%0.791SS**  trans72.6145.3162.3-27.2-176.8000118.2
128S35.3Very low34.5Very low102 Ų102137.3 Ų137.371%0.71379%0.791SS**  trans-111.5148.4171.5169.10000111
129P49.1Very low34.4Very low120 Ų120137.9 Ų137.978%0.77978%0.781SS**  -151.7171.1127.137.7-20.6000116.8
130H33.8Very low34.5Very low180 Ų180143.5 Ų143.583%0.83378%0.779SS**  trans-73.4151169.5-51.5-102.3000113.9
131K35.1Very low34.6Very low186 Ų186150.5 Ų150.581%0.80978%0.78SS**  170.5136.9118.1-97.5-179171.6-178.90116.8
132L34.5Very low34.6Very low163 Ų163150.4 Ų150.485%0.85378%0.78SS**  trans44.4141.3133.3-59.1171.3000123.9
133G28.8Very low34.9Very low74 Ų74150 Ų15076%0.76378%0.782SS**  trans12996.7166.100000111.3
134L35.3Very low34.7Very low169 Ų169150.5 Ų150.589%0.88578%0.784SS**  cis70.8101.748.2-165.186.1000114.2
135D31Very low34Very low157 Ų157149.4 Ų149.484%0.8478%0.784SS**  trans-160.3170.7132-128.9-33.9000115.4
136K34.2Very low33.9Very low188 Ų188150.1 Ų150.182%0.81778%0.783SS**  trans-123.3-174.3177.2-89.4174.9179.8168.30109
137P50.3Low34.4Very low113 Ų113151 Ų15173%0.73479%0.785SS**  cis-124.7-1527.334-8.1000111.7
138Q30.5Very low35.1Very low160 Ų160149.4 Ų149.475%0.74879%0.785SS**  cis-169.9131.634.8-163.4174.1-116.600117.9
139R31.3Very low35.1Very low187 Ų187153.1 Ų153.171%0.70679%0.788SS**  trans53.5125147.5-72.9-179.9161.7-158.20.4124.8
140R31.9Very low34.3Very low192 Ų192154.9 Ų154.973%0.72579%0.788SS**  70158.8127.2-67.4179.3167.7-172.9-6117.9
141R31.5Very low34.1Very low227 Ų227155.4 Ų155.486%0.85779%0.788SS**  cis-143.417213.7-148.3171.5-172.1164-1.8112
142S34.4Very low34.1Very low106 Ų106155.4 Ų155.474%0.74179%0.788SS**  trans-123161.1-171.654.50000113.7
143V32.9Very low34Very low124 Ų124154.4 Ų154.475%0.75279%0.789SS**  trans171.1120.1152.6142.20000106.5
144Q31.3Very low34.4Very low181 Ų181157.2 Ų157.285%0.84679%0.79SS**  59.313979.6-75.8-179.7-21.200113.8
145A29.3Very low34.1Very low84 Ų84154.8 Ų154.869%0.69479%0.788SS**  cis-143.3-152.5-8.300000107.6
146E32.2Very low34.2Very low178 Ų178152.8 Ų152.883%0.83279%0.786SS**  cis-159.3-172.60.1-163127.9-73.100109.5
147T38.5Very low34.3Very low120 Ų120153.3 Ų153.374%0.73679%0.789SS**  trans-148.6138.5176.764.20000115.6
148P45.4Very low33.4Very low127 Ų127159.5 Ų159.583%0.82580%0.797SS**  trans-134.5143.6134.935.6-23.6000111.9
149K36.1Very low33.5Very low180 Ų180158.2 Ų158.278%0.78380%0.8SS**  cis98.1110.935.8-85.4-170.6174.2176.90114.9
150M31.3Very low33.5Very low156 Ų156154.9 Ų154.977%0.76881%0.805SS**  trans71148.8163.9-47.8-172-63.600115.3
151F31.3Very low33.5Very low192 Ų192152.6 Ų152.684%0.84281%0.813SS**  cis-143.4-168.834.8-117-85.2000115.1
152K34.8Very low33.7Very low185 Ų185146.8 Ų146.880%0.80481%0.807SS**  trans-107.8128.6-165.8166.8-168.8176.8-175.30112.8
153V31.3Very low34.4Very low143 Ų143147.2 Ų147.287%0.86781%0.807SS**  trans-140.8147168.6-175.40000110.6
154V36.8Very low34.7Very low132 Ų132147 Ų14780%0.881%0.808SS**  trans-100.5139.5176176.40000109.5
155S30.5Very low35.3Very low119 Ų119144.1 Ų144.183%0.83281%0.805SS**  trans-146.9149.7173.5-1640000114.8
156S32.5Very low35.6Very low115 Ų115146.8 Ų146.880%0.80481%0.813SS**  trans-87.4167.6-159.7-60.60000116.4
157K35.6Very low35.9Very low199 Ų199146.2 Ų146.287%0.86581%0.814SS**  trans-52.1139.2165.3-66.1174.2176.4175.20113.3
158R32.6Very low35.9Very low243 Ų243145 Ų14592%0.91782%0.816SS**  trans-137.9123.9138-65.5-168-179.3-148.5-0.1106.4
159V31.1Very low35.9Very low132 Ų132143.8 Ų143.880%0.882%0.817SS**  69.4100.462-179.90000111.4
160S32Very low36.1Very low118 Ų118140.3 Ų140.383%0.82582%0.815SS**  trans-87.7138.6168.353.40000110.6
161T33.2Very low36.6Very low143 Ų143144.6 Ų144.688%0.87782%0.823SS**  trans-78.8150.6-179.141.70000113
162S34.9Very low37Very low106 Ų106140.7 Ų140.774%0.74182%0.82SS**  trans-110.4157.8172.1660000111.2
163P49.4Very low37.5Very low115 Ų115143.9 Ų143.975%0.74783%0.826SS**PPolyproline II helixtrans-64.5161.3171.527.1-35.2000113
164P37.8Very low38.3Very low118 Ų118148.1 Ų148.177%0.76683%0.827SS**PPolyproline II helixtrans-77.3160.8-172.631.5-36.7000114.4
165P44.4Very low38.7Very low121 Ų121147.1 Ų147.179%0.78683%0.826SS**PPolyproline II helixtrans-92.1139.1-174.535.1-34.3000114.4
166T35.1Very low39.8Very low140 Ų140149.2 Ų149.286%0.85983%0.826SS**PPolyproline II helixtrans-93.8134.9171.6-48.80000111.8A168T166-A168 PolarHBondContact O-N 3.49Å; T166-A168 VanDerWaalsContact O-N 3.17Å
167I40.2Very low41Very low167 Ų167152.7 Ų152.786%0.85683%0.826SS**SBendtrans-85.291.6-168.5-55.1173.3000111.6
168A38.2Very low41.9Very low93 Ų93148.4 Ų148.477%0.76982%0.819SS**  trans-145.6-0.6168.300000114.8T166 S170T166-A168 PolarHBondContact O-N 3.49Å; T166-A168 VanDerWaalsContact O-N 3.17Å; A168-S170 VanDerWaalsContact C-N 3.3Å; A168-S170 PolarHBondContact O-N 3.48Å; A168-S170 VanDerWaalsContact O-N 3.09Å
169A44.3Very low42.3Very low103 Ų103141 Ų14185%0.85180%0.798SS**  trans-85.630.5-165.300000115.9
170S41.6Very low43.2Very low106 Ų106139.8 Ų139.874%0.74179%0.793SS**  trans-120.354.7-167.4-67.90000115.5A168A168-S170 VanDerWaalsContact C-N 3.3Å; A168-S170 PolarHBondContact O-N 3.48Å; A168-S170 VanDerWaalsContact O-N 3.09Å
171R41.6Very low44.2Very low247 Ų247142.1 Ų142.193%0.93279%0.788SS**SBendtrans-171.9139.8144.7-106153-176.1-114.5-0.7114.4
172S40.3Very low45Very low110 Ų110144.4 Ų144.477%0.76978%0.782SS**  trans5881.2160-155.30000119
173R44Very low45.9Very low252 Ų252144.5 Ų144.595%0.95178%0.778SS**  trans-121.697.2146-90.6-173.5164.2-165.2-4109.7
174R48.8Very low45.6Very low231 Ų231143.7 Ų143.787%0.87277%0.774SS**  trans-73.7124.2161.9-72.3-176.2180-1062107.8I176R174-I176 PolarHBondContact O-N 3.11Å
175S45.5Very low46.1Very low111 Ų111146.7 Ų146.778%0.77678%0.778SS**  trans-73.2105.3-176.851.60000111.4K177S175-K177 PolarHBondContact O-N 2.8Å
176I53.5Low46.4Very low163 Ų163148.6 Ų148.684%0.83678%0.782SS**  trans-70.9111.4166.6-58.5176000107.2R174R174-I176 PolarHBondContact O-N 3.11Å
177K57.3Low46.9Very low188 Ų188148.4 Ų148.482%0.81777%0.774SS**PPolyproline II helixtrans-65.7130172.4-70.7-175.9176.7-178.40108.9S175S175-K177 PolarHBondContact O-N 2.8Å
178P53.6Low46.9Very low110 Ų110147.4 Ų147.471%0.71478%0.775SS**PPolyproline II helixtrans-62.5141.917226.9-33.4000109.9
179N41Very low46.8Very low87 Ų87148 Ų14847%0.46577%0.77SS.*PPolyproline II helixtrans-76.6121.2-178.9-176.7-18.2000109.3K181 Y182N179-K181 PolarHBondContact O-N 2.91Å; N179-K181 PolarHBondContact OD1-N 3Å; N179-Y182 HydrophobicContact CB-CD2 4.2Å; N179-Y182 PolarHBondContact O-N 2.98Å
180P51.7Low46.6Very low107 Ų107149.4 Ų149.470%0.69577%0.77SS**G310 helixtrans-63.5-11.5-172.424.5-34.8000114.5Y182P180-Y182 PolarHBondContact O-N 2.8Å
181K52.4Low46.1Very low166 Ų166153.2 Ų153.272%0.72277%0.773SS**G310 helixtrans-69.2-9.6175.2-66.5-164.7173.3-170.70115.3N179N179-K181 PolarHBondContact O-N 2.91Å; N179-K181 PolarHBondContact OD1-N 3Å
182Y50.3Low45.9Very low192 Ų192152.4 Ų152.475%0.75377%0.772SS**G310 helixtrans-120.623.3-175.6-57.4-63.3000113.8N179 P180N179-Y182 HydrophobicContact CB-CD2 4.2Å; N179-Y182 PolarHBondContact O-N 2.98Å; P180-Y182 PolarHBondContact O-N 2.8Å
183V53.6Low45.6Very low108 Ų108155.6 Ų155.666%0.65578%0.779SS**SBendtrans-112.85.6-175.6-167.80000111.9
184S41.9Very low44.9Very low97 Ų97148.6 Ų148.668%0.67878%0.775SS**SBendtrans-130.217.8-164.761.40000116.2
185E48.8Very low44.1Very low182 Ų182142.2 Ų142.285%0.8577%0.772SS**SBendtrans-121.2-8.2178.9-78.2-171.2141.900115.5
186D49.9Very low43.5Very low160 Ų160145.3 Ų145.386%0.85678%0.779SS**SBendtrans-123.234.9-174-159.924.5000114.1
187I46.5Very low42.4Very low136 Ų136142.6 Ų142.670%0.69778%0.781SS**  trans-139.898.6165.5-53179.6000109.5T189I187-T189 HydrophobicContact CG2-CG2 4.06Å
188V39.3Very low41.2Very low146 Ų146141.5 Ų141.589%0.88578%0.784SS**  trans-113.682.7165.2-177.10000108.7
189T38Very low40.1Very low107 Ų107139.7 Ų139.766%0.65679%0.785SS**  trans-89.5129.7170.342.90000110.4I187 K191I187-T189 HydrophobicContact CG2-CG2 4.06Å; T189-K191 PolarHBondContact O-N 3.04Å
190P38.2Very low39.5Very low132 Ų132139.7 Ų139.786%0.85781%0.806SS**  trans-65.2133.8172.327.2-32.9000110
191K33Very low38.5Very low185 Ų185138.1 Ų138.180%0.80481%0.809SS**  trans-115.987.5-157.9-177.7-167.9174.5-179.70112.8T189T189-K191 PolarHBondContact O-N 3.04Å
192Y35.8Very low37.6Very low231 Ų231139.3 Ų139.391%0.90682%0.817SS**  trans-146.6161.2162.5-73.5-66.1000111.4
193L34.6Very low36.8Very low176 Ų176134.5 Ų134.592%0.92181%0.812SS**  trans70.377.9-177.4-57.8177.1000117.5
194A29.4Very low35.6Very low105 Ų105137.3 Ų137.387%0.86882%0.821SS**  trans-164.960.7152.700000112.2
195A31.7Very low35Very low97 Ų97135.8 Ų135.880%0.80282%0.821SS**  trans-156.149.9-177.800000114.8
196L33.9Very low34.1Very low177 Ų177133.2 Ų133.293%0.92782%0.818SS**  trans-138.386.6166.5-78.8179.7000109.7
197A30.6Very low33.2Very low105 Ų105132.6 Ų132.687%0.86881%0.814SS**  trans-154.842.7178.500000112.8
198D31.3Very low32.4Very low166 Ų166132 Ų13289%0.88881%0.812SS**  trans-153160.5145.7-150.7-10.9000110
199G30.5Very low32.2Very low71 Ų71133.7 Ų133.773%0.73280%0.803SS**  trans-121.6136.2-168.800000114.7
200G28.5Very low31.7Very low88 Ų88137.9 Ų137.991%0.90781%0.807SS**  trans170.8116.3170.600000111.5
201G31.1Very low31.6Very low73 Ų73139.1 Ų139.175%0.75381%0.805SS**  trans-168.3163.2-179.800000113.7
202Q33.1Very low31.5Very low192 Ų192136.5 Ų136.590%0.89781%0.805SS**  trans180152.4166.8-98.4177.955.800106.6
203S33.9Very low31.3Very low91 Ų91137 Ų13764%0.63681%0.805SS**  cis-166.4-167.8-14.659.30000110.2
204I28.2Very low31.3Very low166 Ų166136 Ų13685%0.85180%0.8SS**  trans76118177.1-45.7170.2000114.5
205G28.9Very low31.8Very low65 Ų65136.3 Ų136.367%0.6779%0.793SS**  cis128120.3-25.300000117.2
206T30.7Very low31.8Very low129 Ų129141.8 Ų141.879%0.79179%0.793SS**  trans-166.3134.5149.328.20000111.1
207N29.5Very low32.3Very low147 Ų147139.5 Ų139.579%0.78678%0.781SS**  trans51.8118.4150.1-52.4-9.3000118.6
208D30.4Very low32.9Very low122 Ų122143.6 Ų143.665%0.65278%0.782SS**  cis59.1114.443.9-152.440.1000110.8
209R34.2Very low33.3Very low182 Ų182143.2 Ų143.269%0.68778%0.779SS**  cis-156.716844.3-78.7-175.1172.2178.61.6111.4
210R29.2Very low34.3Very low196 Ų196144.4 Ų144.474%0.7478%0.776SS**  cis-155157.5-7.2-124.8173.4-173.4-176.4-2.5110.6
211L35Very low35.2Very low157 Ų157147 Ų14782%0.82277%0.769SS**  trans-78.7153.2161.9-68.966.4000110.7
212V32Very low35.7Very low131 Ų131151.7 Ų151.779%0.79477%0.773SS**  -141.8141.1113179.90000108.4L214V212-L214 HydrophobicContact CG1-CB 4.29Å; V212-L214 HydrophobicContact CG1-CD1 4.29Å; V212-L214 HydrophobicContact CG1-CG 4.15Å
213R31.3Very low36.1Very low242 Ų242151.5 Ų151.591%0.91378%0.778SS**  trans-138.4104.2166-168.2178.4-166.9158.55.4108.4
214L33.2Very low36.4Very low154 Ų154155.1 Ų155.181%0.80678%0.784SS**  trans-136.7165.6179.3-80-176.9000109.3V212V212-L214 HydrophobicContact CG1-CB 4.29Å; V212-L214 HydrophobicContact CG1-CD1 4.29Å; V212-L214 HydrophobicContact CG1-CG 4.15Å
215P40.2Very low36.9Very low112 Ų112153.8 Ų153.873%0.72777%0.773SS**  trans-111162.1-131.240.5-37.7000115.7
216R32.6Very low37.4Very low212 Ų212160 Ų16080%0.878%0.784SS**  trans76.4114.8144.7-161.5175.7-167.5169.94.9118.2E218R216-E218 PolarHBondContact O-N 3.16Å
217D44.8Very low37.8Very low128 Ų128160.8 Ų160.868%0.68478%0.779SS**SBendtrans4662.4141.6-38.2-20.2000118.9
218E41.6Very low38.4Very low191 Ų191161.7 Ų161.789%0.89378%0.784SS**  trans-176.768.5147.6-108.6173.8-174.400112.9R216R216-E218 PolarHBondContact O-N 3.16Å
219I41.3Very low39Very low158 Ų158162.8 Ų162.881%0.8179%0.79SS**  trans-142.679.4159.6-45.7176.2000109.2
220S50.8Low39.7Very low96 Ų96161.5 Ų161.567%0.67180%0.796SS**  trans-83.3166139.9-161.90000107.3
221D48.1Very low40.7Very low142 Ų142160.1 Ų160.176%0.75980%0.804SS**SBendtrans66.767.6162.4-44.5-6.8000115.2
222M41Very low41Very low172 Ų172160.8 Ų160.885%0.84780%0.803SS**  trans-177.988.8145.7-104-170.6-5800111.3
223L40.3Very low41.6Very low189 Ų189160.4 Ų160.499%0.9980%0.801SS**  trans-164.984.6146.9-92.3-165.2000106.7
224E40.3Very low42.3Very low166 Ų166153.7 Ų153.778%0.77680%0.797SS**  trans-120.3144.2176-134.9-175.7168.600107.2
225F40Very low42.5Very low138 Ų138154.1 Ų154.161%0.60580%0.8SS**  trans50.2111.8170.5-65.6-79.2000120.1E227F225-E227 HydrophobicContact CD1-CG 3.95Å; F225-E227 HydrophobicContact CE1-CG 4.32Å; F225-E227 VanDerWaalsContact CE1-OE1 3.29Å; F225-E227 WeakPolarHBondContact CE1-OE1 3.29Å
226E38.6Very low42.5Very low195 Ų195152.9 Ų152.991%0.91180%0.799SS**  -147.5125.896.6-90.6162.4179.300103.8
227E40.4Very low42.6Very low147 Ų147147.5 Ų147.569%0.68780%0.8SS**  cis59.397.645.7-85.4178.5-174.400113.3F225F225-E227 HydrophobicContact CD1-CG 3.95Å; F225-E227 HydrophobicContact CE1-CG 4.32Å; F225-E227 VanDerWaalsContact CE1-OE1 3.29Å; F225-E227 WeakPolarHBondContact CE1-OE1 3.29Å
228D41.2Very low42.2Very low166 Ų166150.2 Ų150.289%0.88881%0.806SS**  trans-146.5122.7157.5-161.318.4000106.2
229D43.4Very low41.9Very low144 Ų144147.8 Ų147.877%0.7780%0.799SS**  trans-99.8142.8-173.6-73.5-58.6000110.7
230D49.4Very low42.4Very low155 Ų155144.8 Ų144.883%0.82979%0.79SS**  trans-156.580.7156.7-145.9-0.9000110.4
231D49.2Very low41.8Very low167 Ų167148.2 Ų148.289%0.89380%0.795SS**  trans-123.346-174.2-143.917.8000111.2
232E41.6Very low41.4Very low171 Ų171148.9 Ų148.980%0.79980%0.798SS**  trans-129.2136.8175.2-89.7-161.5-15600110.5
233V44.6Very low41.5Very low124 Ų124149.6 Ų149.675%0.75280%0.799SS**  cis-136.1155.12.1-73.30000111.4
234A46.7Very low41.6Very low101 Ų101149.3 Ų149.384%0.83579%0.79SS**  trans-130.1102.815900000109.9
235D37.7Very low41.4Very low163 Ų163145.8 Ų145.887%0.87278%0.783SS**  trans-159.2162.1164.7-132.3-26.5000112.8
236A39.4Very low41.5Very low86 Ų86146.3 Ų146.371%0.71179%0.792SS**  trans45.691.2174.700000117.1
237A35.1Very low41.7Very low99 Ų99144.4 Ų144.482%0.81879%0.788SS**  67142.165.900000116.9
238F34.7Very low42.1Very low185 Ų185145.1 Ų145.181%0.81180%0.797SS**  trans80.191.1159.3-133.6-86.3000120.4P240F238-P240 HydrophobicContact CD1-CG 4.45Å; F238-P240 VanDerWaalsContact CE1-CD 3.48Å; F238-P240 HydrophobicContact CE1-CG 3.99Å; F238-P240 HydrophobicContact CE2-CG 4.31Å; F238-P240 HydrophobicContact CZ-CG 3.92Å
239N37Very low42.5Very low140 Ų140144.4 Ų144.475%0.74979%0.793SS**  -150.697.5122.5-172.49.7000112.1Q241N239-Q241 PolarHBondContact O-N 2.88Å
240P50.7Low42.9Very low94 Ų94145.8 Ų145.861%0.6180%0.801SS**  trans-94.866.8-179.237.4-33.5000112.4F238F238-P240 HydrophobicContact CD1-CG 4.45Å; F238-P240 VanDerWaalsContact CE1-CD 3.48Å; F238-P240 HydrophobicContact CE1-CG 3.99Å; F238-P240 HydrophobicContact CE2-CG 4.31Å; F238-P240 HydrophobicContact CZ-CG 3.92Å
241Q39.2Very low42.8Very low168 Ų168145.8 Ų145.879%0.78580%0.8SS**  trans-155.792.2174.4-125.6173.744.900114.9N239N239-Q241 PolarHBondContact O-N 2.88Å
242L39Very low42.9Very low157 Ų157145.4 Ų145.482%0.82280%0.799SS**  trans-168.783.8143.1-112.2167.7000111.1
243H43.4Very low43.3Very low187 Ų187144 Ų14487%0.86680%0.795SS**  trans-82.4130.5161-78.5-96.2000109.7
244K41.3Very low43.6Very low183 Ų183141.8 Ų141.880%0.79679%0.785SS**  trans-132.898142.1-68.5-166.8177.4-1720104.1
245S36.7Very low43.8Very low91 Ų91145 Ų14564%0.63678%0.783SS**  75.3106.4109.962.40000110.1
246D41.4Very low44.6Very low149 Ų149140.9 Ų140.980%0.79777%0.771SS**  70.9104.565.5-166.734.1000108.8
247D42.8Very low45.3Very low155 Ų155143.1 Ų143.183%0.82977%0.767SS**  trans-177.667.1173.9-86.3-29.5000105.8
248D50Low46.5Very low162 Ų162146.1 Ų146.187%0.86676%0.758SS**  trans-81.2100156.8-91.5-30.6000106.3
249D49.2Very low47.7Very low151 Ų151142.5 Ų142.581%0.80774%0.744SS**  trans-144.8122.2166.5-100.7-36.7000109.8
250D52.8Low48.5Very low174 Ų174141.3 Ų141.393%0.9373%0.734SS**  trans-83.3112.2170.8-81.7-57.6000108.9
251D46.2Very low48.8Very low154 Ų154140.8 Ų140.882%0.82472%0.723SS**  trans-137.2141.8174-130.5-20.6000111.8I253D251-I253 PolarHBondContact O-N 3.48Å
252D52.3Low49.4Very low160 Ų160138.5 Ų138.586%0.85672%0.716SS**  trans-71.6107.5-161.2-83.5-54.5000114.5S254D252-S254 PolarHBondContact O-N 3.45Å
253I48.7Very low49.9Very low141 Ų141139.6 Ų139.672%0.72371%0.709SS**  trans-67.597.7164.8-63.6-178.7000109.5D251D251-I253 PolarHBondContact O-N 3.48Å
254S52.3Low50.2Low78 Ų78139 Ų13955%0.54570%0.699SS.*  trans-61.9143.1-179660000113.7D252 A256 E257D252-S254 PolarHBondContact O-N 3.45Å; S254-A256 PolarHBondContact O-N 2.8Å; S254-E257 PolarHBondContact O-N 3.35Å; S254-E257 VanDerWaalsContact O-N 3.08Å
255E50.2Low50.4Low169 Ų169137.7 Ų137.779%0.7969%0.693SS**Hα-helixtrans-54.4-24.2-169.8-168.8172.7-158.700114.6E257 E259E255-E257 VanDerWaalsContact C-N 3.34Å; E255-E257 PolarHBondContact O-N 3.33Å; E255-E259 PolarHBondContact O-N 2.75Å
256A53.8Low50.7Low75 Ų75142 Ų14262%0.6270%0.704SS**Hα-helixtrans-65.6-28.3178.900000114.5S254S254-A256 PolarHBondContact O-N 2.8Å
257E54.4Low50.9Low134 Ų134140.4 Ų140.463%0.62670%0.701SS**Hα-helixtrans-81-36.5179.7-174.3153.6-143.200112.1S254 E255 E259 Q260 E261S254-E257 PolarHBondContact O-N 3.35Å; S254-E257 VanDerWaalsContact O-N 3.08Å; E255-E257 VanDerWaalsContact C-N 3.34Å; E255-E257 PolarHBondContact O-N 3.33Å; E257-E259 VanDerWaalsContact C-N 3.27Å; E257-E259 PolarHBondContact O-N 3.4Å; E257-Q260 WeakPolarHBondContact O-CB 3.24Å; E257-Q260 PolarHBondContact O-N 3.17Å; E257-E261 PolarHBondContact O-N 2.95Å
258Y61.2Low50.9Low162 Ų162139.1 Ų139.164%0.63570%0.701SS**Hα-helixtrans-60-36.1174.8-171.8-110.5000112.4Q260 E261 L262Y258-Q260 VanDerWaalsContact C-N 3.3Å; Y258-Q260 PolarHBondContact O-N 3.36Å; Y258-E261 PolarHBondContact O-N 3.02Å; Y258-L262 HydrophobicContact CD1-CD1 4Å; Y258-L262 HydrophobicContact CE1-CD1 3.7Å; Y258-L262 PolarHBondContact O-N 3.36Å
259E60.2Low50.6Low108 Ų108137.9 Ų137.951%0.50570%0.699SS.*Hα-helixtrans-63.2-27.6171.3-92.8-113.3171.300113.7E255 E257 R263E255-E259 PolarHBondContact O-N 2.75Å; E257-E259 VanDerWaalsContact C-N 3.27Å; E257-E259 PolarHBondContact O-N 3.4Å; E259-R263 PolarHBondContact O-NH1 3.33Å; E259-R263 IonicContact OE2-CZ 3.35Å; E259-R263 IonicContact OE2-NH1 2.88Å; E259-R263 PolarHBondContact OE2-NH1 3.3Å; E259-R263 IonicContact OE2-NH2 3.27Å; E259-R263 PolarHBondContact OE2-NH2 3.05Å
260Q52.2Low50.2Low116 Ų116140.6 Ų140.654%0.54270%0.704SS.*Hα-helixtrans-79-41.4175.1-77.4-159.132.700112.6E257 Y258 L262 R263 R264E257-Q260 WeakPolarHBondContact O-CB 3.24Å; E257-Q260 PolarHBondContact O-N 3.17Å; Y258-Q260 VanDerWaalsContact C-N 3.3Å; Y258-Q260 PolarHBondContact O-N 3.36Å; Q260-L262 VanDerWaalsContact C-N 3.32Å; Q260-L262 PolarHBondContact O-N 3.02Å; Q260-R263 WeakPolarHBondContact O-CB 3.38Å; Q260-R263 PolarHBondContact O-N 2.9Å; Q260-R264 PolarHBondContact O-N 3.02Å
261E57.1Low49.6Very low82 Ų82144.1 Ų144.138%0.38370%0.704SS.*Hα-helixtrans-67.2-35.3-177.8-17658.3-172.900111.9E257 Y258 R263 R264 K265E257-E261 PolarHBondContact O-N 2.95Å; Y258-E261 PolarHBondContact O-N 3.02Å; E261-R263 PolarHBondContact O-N 2.91Å; E261-R264 PolarHBondContact O-N 3.17Å; E261-K265 WeakPolarHBondContact OE1-CE 3.41Å; E261-K265 IonicContact OE1-NZ 3.34Å; E261-K265 PolarHBondContact OE1-NZ 3.19Å
262L52.7Low49.1Very low120 Ų120140.4 Ų140.463%0.62870%0.702SS**Hα-helixtrans-59.7-23.8170.6-88.3163.2000114Y258 Q260Y258-L262 HydrophobicContact CD1-CD1 4Å; Y258-L262 HydrophobicContact CE1-CD1 3.7Å; Y258-L262 PolarHBondContact O-N 3.36Å; Q260-L262 VanDerWaalsContact C-N 3.32Å; Q260-L262 PolarHBondContact O-N 3.02Å
263R49.4Very low48.8Very low181 Ų181145.2 Ų145.268%0.68371%0.708SS**Hα-helixtrans-85.7-13.3175.3-70.9-179.4174.982.5-5.8113.6E259 Q260 E261E259-R263 PolarHBondContact O-NH1 3.33Å; E259-R263 IonicContact OE2-CZ 3.35Å; E259-R263 IonicContact OE2-NH1 2.88Å; E259-R263 PolarHBondContact OE2-NH1 3.3Å; E259-R263 IonicContact OE2-NH2 3.27Å; E259-R263 PolarHBondContact OE2-NH2 3.05Å; Q260-R263 WeakPolarHBondContact O-CB 3.38Å; Q260-R263 PolarHBondContact O-N 2.9Å; E261-R263 PolarHBondContact O-N 2.91Å
264R50.1Low48.1Very low173 Ų173142 Ų14265%0.65371%0.71SS**Hα-helixtrans-89.9-12.1-176-79-175.3155.9108.5-1.6115.3Q260 E261Q260-R264 PolarHBondContact O-N 3.02Å; E261-R264 PolarHBondContact O-N 3.17Å
265K44.8Very low47.6Very low157 Ų157150.3 Ų150.368%0.68373%0.729SS**  trans-111.182.3-174.1-71.5174.5-176.8156.20114.1E261E261-K265 WeakPolarHBondContact OE1-CE 3.41Å; E261-K265 IonicContact OE1-NZ 3.34Å; E261-K265 PolarHBondContact OE1-NZ 3.19Å
266Q43.8Very low47.4Very low182 Ų182147.4 Ų147.485%0.8573%0.725SS**  trans-122.2141.8155.5-70-16512.200110.8
267P44.7Very low46.8Very low115 Ų115150 Ų15075%0.74774%0.736SS**PPolyproline II helixtrans-75.5146.3-175.730.3-35.2000112.9
268P42.7Very low45.8Very low127 Ų127153.8 Ų153.883%0.82575%0.75SS**PPolyproline II helixtrans-76.1126.7-172.329.1-35.2000113.6
269V43.4Very low44.7Very low137 Ų137150.6 Ų150.683%0.8376%0.757SS**PPolyproline II helixtrans-77.6125.1172.9-176.80000110.3R271V269-R271 PolarHBondContact O-N 2.85Å
270K41.6Very low43.4Very low208 Ų208155.8 Ų155.890%0.90478%0.778SS**PPolyproline II helixtrans-66.7126.9-177.4-67.8-176.7178.2-179.70111.8
271R39.3Very low42.5Very low248 Ų248157.1 Ų157.194%0.93679%0.789SS**PPolyproline II helixtrans-76.2120.5-178-64.1169.575.3-175.47.7112.1V269V269-R271 PolarHBondContact O-N 2.85Å
272G36.8Very low41.4Very low76 Ų76159 Ų15978%0.78481%0.806SS**PPolyproline II helixtrans-77.9141.9159.600000111.5
273R44.4Very low40.4Very low261 Ų261160.3 Ų160.399%0.98581%0.813SS**PPolyproline II helixtrans-86.2127.8175-69.1-177.5170.5-152.9-1.4110.1
274G34.5Very low39.7Very low74 Ų74155.1 Ų155.176%0.76381%0.809SS**  trans-1491.3-165.400000121.2
275R43Very low38.9Very low251 Ų251154.6 Ų154.695%0.94782%0.819SS**  trans66167.7176.3-80.7-177-178.6-110.9-0.2115.9
276P44.5Very low38.3Very low108 Ų108150.7 Ų150.770%0.70182%0.817SS**  trans-109.9166.3-141.541-37.6000116.7
277P41.3Very low37.6Very low129 Ų129148.1 Ų148.184%0.83882%0.818SS**PPolyproline II helixtrans-70.3146.3161.432-34.7000111.4
278K33.3Very low37Very low215 Ų215146.4 Ų146.494%0.93581%0.814SS**PPolyproline II helixtrans-98141.7167.5-118.6-177.3179-176.40109.6
279A38.2Very low36.6Very low94 Ų94146.4 Ų146.478%0.77781%0.812SS**PPolyproline II helixtrans-80.8163.1-169.200000114.5
280K34.1Very low36Very low218 Ų218145 Ų14595%0.94881%0.808SS**  -137.4163.1120.7-110.2-180180-174.50110.2
281N34Very low35.5Very low144 Ų144140.3 Ų140.377%0.7781%0.808SS**  trans-127.5-167.7-158.9-167.714.5000110.5
282V33.8Very low35.1Very low122 Ų122132.4 Ų132.474%0.73980%0.804SS**  trans89.2105.5175.6-172.40000111.4
283N31.2Very low34.8Very low146 Ų146135.9 Ų135.978%0.78180%0.804SS**  68.914473.9-86.915.4000114
284A35.1Very low34.2Very low72 Ų72130.1 Ų130.160%0.59579%0.793SS**  cis-170.2177.5-12.500000110.2
285N32.1Very low34Very low162 Ų162131.9 Ų131.987%0.86679%0.789SS**  trans69.7153.7160.8-83.58.9000118.5
286A32.1Very low33.4Very low76 Ų76124.8 Ų124.863%0.62878%0.777SS**  cis-163.4161.4-1300000111.4
287S30.5Very low32.8Very low127 Ų127124.5 Ų124.589%0.88878%0.778SS**  trans59.6160.5158.3-81.30000118.3
288A31.7Very low32.2Very low79 Ų79124.1 Ų124.165%0.65378%0.778SS**  cis-149.4136.1-12.100000106.8
289T32.9Very low32Very low128 Ų128117.4 Ų117.479%0.78577%0.77SS**  73.9137.998.8-44.50000116.2
290S32.7Very low31.8Very low106 Ų106117.4 Ų117.474%0.74177%0.77SS**  trans61.8109.6160.751.70000121.3
291A30.6Very low31.6Very low110 Ų110113 Ų11391%0.90976%0.762SS**  29.4132.1124.600000121.8
292G30.1Very low31.7Very low82 Ų82112.1 Ų112.185%0.84577%0.767SS**  trans-166.9134.4161.500000110.9
293N31.3Very low31.6Very low149 Ų149115.7 Ų115.780%0.79777%0.772SS**  trans-103.6-174177.5-165.515.7000110.3
294L32Very low31.7Very low141 Ų141115.9 Ų115.974%0.73877%0.772SS**  trans80.5112.7176.1-50.9174.2000113
295T30.2Very low31.5Very low111 Ų111118.2 Ų118.268%0.68178%0.784SS**  91.2152.353.262.60000114.9
296S31Very low31.5Very low101 Ų101117 Ų11771%0.70678%0.776SS**  trans68.6109.5159.146.90000121
297S30Very low31.5Very low103 Ų103121.7 Ų121.772%0.7279%0.79SS**  71.7133.1125.864.50000123.7
298S30Very low31.7Very low120 Ų120120.4 Ų120.484%0.83978%0.781SS**  trans62.8133139.364.20000121.4
299G28.6Very low31.8Very low74 Ų74121.9 Ų121.976%0.76379%0.787SS**  trans148.2128.2139.700000117.9
300A33.4Very low32Very low94 Ų94121.7 Ų121.778%0.77779%0.791SS**  trans3886.9142.800000119.8
301T30.2Very low32Very low127 Ų127120.1 Ų120.178%0.77979%0.792SS**  trans9133.5131560000119.7
302S35.4Very low32.8Very low124 Ų124127.2 Ų127.287%0.86780%0.795SS**  trans-131.9125.1144.8-83.20000110
303K31.6Very low33.5Very low197 Ų197129.8 Ų129.886%0.85779%0.794SS**  trans-92.6120.5178.4-68.9176.4-178.41710109.4
304I35.1Very low34.2Very low151 Ų151127.6 Ų127.677%0.77480%0.797SS**  trans-125.1120.8161.5-62.7-178.9000108.2I306I304-I306 HydrophobicContact CG2-CD1 4.37Å; I304-I306 HydrophobicContact CG2-CG1 4.21Å
305S29.3Very low34.8Very low120 Ų120124.6 Ų124.684%0.83979%0.788SS**  trans-97.3104.5-179.1-630000110.3
306I33.9Very low36.6Very low138 Ų138123.5 Ų123.571%0.70878%0.781SS**  trans-124.5118.3166.1-61.2179000108.7I304I304-I306 HydrophobicContact CG2-CD1 4.37Å; I304-I306 HydrophobicContact CG2-CG1 4.21Å
307N32.1Very low38Very low173 Ų173123 Ų12393%0.92578%0.777SS**  trans-111.185.4177.1-172.127.1000108.8
308S34.3Very low39.6Very low101 Ų101122.7 Ų122.771%0.70677%0.767SS**  trans-123142178.456.40000111
309S34Very low41.4Very low110 Ų110121.9 Ų121.977%0.76975%0.75SS**  trans-103.1167.3-170.464.10000112.7
310S35.4Very low43.2Very low123 Ų123124.3 Ų124.386%0.8674%0.742SS**  trans78.470.6166.4-49.50000118
311G32.7Very low44.9Very low74 Ų74124.9 Ų124.976%0.76373%0.729SS**  trans-121.7124.5152.400000110.2T313G311-T313 PolarHBondContact O-N 3.13Å
312R49Very low46.9Very low258 Ų258127.1 Ų127.197%0.97472%0.724SS**  trans-91.1100.7-177.1-87.6-179.6163.3-178-4.6112.1
313T43.9Very low48.3Very low137 Ų137130.6 Ų130.684%0.8472%0.718SS**  trans-133.7148.9156.554.30000109.9G311 S315G311-T313 PolarHBondContact O-N 3.13Å; T313-S315 PolarHBondContact O-N 3.46Å
314A45.8Very low50.1Low103 Ų103125.1 Ų125.185%0.85170%0.701SS**  trans-80.4109.4-17700000111.1
315S45.3Very low51.3Low78 Ų78123.8 Ų123.855%0.54569%0.693SS.*  trans-70131.1176.159.20000112.2T313T313-S315 PolarHBondContact O-N 3.46Å
316T67.3Low52.5Low88 Ų88121 Ų12154%0.5468%0.678SS.*  trans-75156178.460.30000111.3L318 Q319 Q320T316-L318 PolarHBondContact O-N 3.2Å; T316-Q319 WeakPolarHBondContact O-CB 3.15Å; T316-Q319 PolarHBondContact O-N 2.9Å; T316-Q320 PolarHBondContact O-N 2.89Å
317S60.8Low53.6Low90 Ų90118.7 Ų118.763%0.62967%0.67SS**Hα-helixtrans-50.1-38.4-175.3-179.10000113.7Q319 Q320 M321S317-Q319 VanDerWaalsContact C-N 3.34Å; S317-Q319 PolarHBondContact O-N 3.03Å; S317-Q320 WeakPolarHBondContact O-CB 3.42Å; S317-Q320 PolarHBondContact O-N 2.95Å; S317-M321 PolarHBondContact O-N 3.27Å
318L64.5Low54.6Low96 Ų96115.5 Ų115.550%0.50365%0.653SS.*Hα-helixtrans-63-36.1179-160.374.7000113T316 R322T316-L318 PolarHBondContact O-N 3.2Å; L318-R322 WeakPolarHBondContact O-CG 3.04Å; L318-R322 PolarHBondContact O-N 3.43Å; L318-R322 VanDerWaalsContact O-N 3.11Å
319Q66.1Low55.5Low103 Ų103117.7 Ų117.748%0.48165%0.654SS.*Hα-helixtrans-71-34.5176.8-65.6176.7-19.900111.6T316 S317 R323T316-Q319 WeakPolarHBondContact O-CB 3.15Å; T316-Q319 PolarHBondContact O-N 2.9Å; S317-Q319 VanDerWaalsContact C-N 3.34Å; S317-Q319 PolarHBondContact O-N 3.03Å; Q319-R323 WeakPolarHBondContact O-CG 3.27Å; Q319-R323 PolarHBondContact O-N 3.45Å
320Q67.8Low56.4Low126 Ų126116.2 Ų116.259%0.58965%0.648SS**Hα-helixtrans-66.6-45.1175.2-159.7173.320.100110.8T316 S317 R322 R323 T324T316-Q320 PolarHBondContact O-N 2.89Å; S317-Q320 WeakPolarHBondContact O-CB 3.42Å; S317-Q320 PolarHBondContact O-N 2.95Å; Q320-R322 PolarHBondContact O-N 3.4Å; Q320-R323 PolarHBondContact O-N 3.09Å; Q320-T324 PolarHBondContact O-N 3.38Å; Q320-T324 VanDerWaalsContact O-N 3.17Å; Q320-T324 PolarHBondContact O-OG1 3.04Å; Q320-T324 VanDerWaalsContact O-OG1 3.1Å
321M67.9Low57.2Low105 Ų105118.6 Ų118.652%0.51764%0.643SS.*Hα-helixtrans-59.5-45.3176.1-165-171.2-60.600112.4S317 R323 T324 M325S317-M321 PolarHBondContact O-N 3.27Å; M321-R323 PolarHBondContact O-N 3.27Å; M321-T324 PolarHBondContact O-N 2.77Å; M321-M325 HydrophobicContact CG-CE 4.26Å; M321-M325 PolarHBondContact O-N 3.41Å; M321-M325 VanDerWaalsContact O-N 3.17Å; M321-M325 HydrophobicContact SD-CE 4.38Å
322R72.5Confident58Low174 Ų174119.5 Ų119.566%0.65764%0.637SS**Hα-helixtrans-60.2-40.4177.1-73174-178.6-171.7-0.1112.6L318 Q320 T324 M325 A326L318-R322 WeakPolarHBondContact O-CG 3.04Å; L318-R322 PolarHBondContact O-N 3.43Å; L318-R322 VanDerWaalsContact O-N 3.11Å; Q320-R322 PolarHBondContact O-N 3.4Å; R322-T324 PolarHBondContact O-N 3.47Å; R322-M325 PolarHBondContact O-N 3.06Å; R322-A326 PolarHBondContact O-N 3.3Å; R322-A326 VanDerWaalsContact O-N 3.16Å
323R65.3Low58Low198 Ų198114.1 Ų114.175%0.74763%0.628SS**Hα-helixtrans-64.7-37175.5-74.3-178.7175.7-145.7-2.5112.8Q319 Q320 M321 T327Q319-R323 WeakPolarHBondContact O-CG 3.27Å; Q319-R323 PolarHBondContact O-N 3.45Å; Q320-R323 PolarHBondContact O-N 3.09Å; M321-R323 PolarHBondContact O-N 3.27Å; R323-T327 PolarHBondContact O-N 3.42Å; R323-T327 PolarHBondContact O-OG1 3.13Å
324T70Confident58.2Low81 Ų81111.7 Ų111.750%0.49762%0.621SS.*Hα-helixtrans-69.1-33.7178.2-51.90000112.5Q320 M321 R322 T327 N328Q320-T324 PolarHBondContact O-N 3.38Å; Q320-T324 VanDerWaalsContact O-N 3.17Å; Q320-T324 PolarHBondContact O-OG1 3.04Å; Q320-T324 VanDerWaalsContact O-OG1 3.1Å; M321-T324 PolarHBondContact O-N 2.77Å; R322-T324 PolarHBondContact O-N 3.47Å; T324-T327 PolarHBondContact O-OG1 2.98Å; T324-N328 PolarHBondContact O-ND2 3.11Å
325M59.1Low58Low123 Ų123111.8 Ų111.861%0.60662%0.616SS**Hα-helixtrans-72.9-47.8175.3-67.4-176.2177.900111.7M321 R322 T327 N328 M329M321-M325 HydrophobicContact CG-CE 4.26Å; M321-M325 PolarHBondContact O-N 3.41Å; M321-M325 VanDerWaalsContact O-N 3.17Å; M321-M325 HydrophobicContact SD-CE 4.38Å; R322-M325 PolarHBondContact O-N 3.06Å; M325-T327 VanDerWaalsContact C-N 3.33Å; M325-T327 PolarHBondContact O-N 2.72Å; M325-N328 PolarHBondContact O-N 2.75Å; M325-N328 VanDerWaalsContact O-N 3.13Å; M325-M329 PolarHBondContact O-N 2.71Å
326A54.8Low57.9Low63 Ų63116.5 Ų116.552%0.52163%0.632SS.*Hα-helixtrans-59-40.8-179.400000113.2R322 N328 M329 A330R322-A326 PolarHBondContact O-N 3.3Å; R322-A326 VanDerWaalsContact O-N 3.16Å; A326-N328 VanDerWaalsContact C-N 3.3Å; A326-N328 PolarHBondContact O-N 2.85Å; A326-M329 PolarHBondContact O-N 3.36Å; A326-A330 WeakPolarHBondContact O-CB 3.27Å; A326-A330 PolarHBondContact O-N 3.33Å; A326-A330 VanDerWaalsContact O-N 3.14Å
327T56.6Low56.7Low88 Ų88118.3 Ų118.354%0.5464%0.642SS.*Hα-helixtrans-72.3-18.3179.145.20000114.6R323 T324 M325R323-T327 PolarHBondContact O-N 3.42Å; R323-T327 PolarHBondContact O-OG1 3.13Å; T324-T327 PolarHBondContact O-OG1 2.98Å; M325-T327 VanDerWaalsContact C-N 3.33Å; M325-T327 PolarHBondContact O-N 2.72Å
328N52.8Low55.4Low106 Ų106122.4 Ų122.457%0.56766%0.658SS**Hα-helixtrans-83.6-40.2172.1-81-65.3000111.9T324 M325 A326 K331T324-N328 PolarHBondContact O-ND2 3.11Å; M325-N328 PolarHBondContact O-N 2.75Å; M325-N328 VanDerWaalsContact O-N 3.13Å; A326-N328 VanDerWaalsContact C-N 3.3Å; A326-N328 PolarHBondContact O-N 2.85Å; N328-K331 PolarHBondContact O-N 2.73Å
329M54.4Low53.9Low148 Ų148121.2 Ų121.273%0.72967%0.669SS**Hα-helixtrans-67.4-38.1177.8-59.6-158.979.800112.2M325 A326 K331 S332M325-M329 PolarHBondContact O-N 2.71Å; A326-M329 PolarHBondContact O-N 3.36Å; M329-K331 PolarHBondContact O-N 2.84Å; M329-K331 VanDerWaalsContact O-N 3.1Å; M329-S332 PolarHBondContact O-N 3.19Å
330A53.1Low52.3Low78 Ų78122 Ų12265%0.64569%0.685SS**THydrogen-bonded Turntrans-61.2-18.4176.100000114.6A326A326-A330 WeakPolarHBondContact O-CB 3.27Å; A326-A330 PolarHBondContact O-N 3.33Å; A326-A330 VanDerWaalsContact O-N 3.14Å
331K51.8Low50.5Low173 Ų173121.5 Ų121.575%0.75270%0.695SS**THydrogen-bonded Turntrans-91.9-10.1175.3-74.8-175.4172.9-1770114.2N328 M329N328-K331 PolarHBondContact O-N 2.73Å; M329-K331 PolarHBondContact O-N 2.84Å; M329-K331 VanDerWaalsContact O-N 3.1Å
332S50.1Low48.9Very low94 Ų94123.3 Ų123.366%0.65771%0.713SS**THydrogen-bonded Turntrans-84.1-20.4-176.8-1630000113.8M329M329-S332 PolarHBondContact O-N 3.19Å
333N48.7Very low46.8Very low145 Ų145118.5 Ų118.578%0.77572%0.717SS**SBendtrans-107.714.1-171-67.814.9000113.5
334A46.5Very low45.1Very low85 Ų85119.6 Ų119.670%0.70273%0.727SS**SBendtrans-103.334.7-173.700000113.5
335S41.9Very low43.3Very low105 Ų105119.1 Ų119.173%0.73474%0.739SS**SBendtrans-155.538.6-176.1-171.20000114.2
336M44.3Very low42Very low178 Ų178120 Ų12088%0.87775%0.751SS**SBendtrans-14030.7171.3-78.3-57.7-62.300112.9
337T42.5Very low40.9Very low125 Ų125121.8 Ų121.877%0.76777%0.766SS**  trans-143.590.4172.353.90000110.7
338D31.7Very low39.8Very low177 Ų177123.4 Ų123.495%0.94778%0.781SS**  trans-166.9136136.5-102.1-21.2000108.5
339G34.8Very low39Very low71 Ų71122.7 Ų122.773%0.73279%0.79SS**  trans-152.1148.7-175.800000112.7
340S32.1Very low37.8Very low118 Ų118120.5 Ų120.583%0.82580%0.795SS**  trans60.993.1165.6-177.50000118
341S30.5Very low36.9Very low116 Ų116120.8 Ų120.881%0.81180%0.797SS**  trans-139.587.314557.10000112.8
342T32.6Very low35.9Very low143 Ų143121 Ų12188%0.87780%0.798SS**  trans22.5117.1141.1-46.90000119.9
343G28.9Very low35.1Very low73 Ų73126 Ų12675%0.75380%0.803SS**  trans156.3120.7150.200000118.4
344K30.5Very low34.2Very low221 Ų221127.4 Ų127.496%0.96180%0.802SS**  trans2.9136.9154.3-55.1170.6-179.2176.50117.7
345G31Very low33.2Very low72 Ų72129.8 Ų129.874%0.74280%0.8SS**  cis-179.7-171.85.100000108.2
346T31.4Very low32.5Very low141 Ų141130.9 Ų130.987%0.86580%0.798SS**  cis-155.4177.615.247.50000111.4
347A32.6Very low31.9Very low100 Ų100128.9 Ų128.983%0.82680%0.796SS**  trans77.8109162.600000120
348S34.4Very low31.3Very low123 Ų123127.8 Ų127.886%0.8679%0.793SS**  trans-80.9-173.2168-480000111.1
349A35.1Very low31.3Very low91 Ų91127.7 Ų127.775%0.75279%0.787SS**  cis-16417118.400000114.2
350A29.3Very low31.2Very low101 Ų101129.5 Ų129.584%0.83579%0.789SS**  trans66.3160153.800000120
351A33.9Very low31.2Very low84 Ų84132.7 Ų132.769%0.69479%0.791SS**  cis158.8149.1-49.400000110.6
352K30.6Very low31.3Very low178 Ų178131.2 Ų131.277%0.77478%0.78SS**  trans76.1152.3171.8-53.1168.8-178.8171.30115.7
353R33.1Very low32Very low198 Ų198130.3 Ų130.375%0.74778%0.777SS**  cis-174.8168.3-19.7-102.5-172.3-52.6-172.16.6108.3
354K29.7Very low32.1Very low175 Ų175132.5 Ų132.576%0.76178%0.775SS**  trans73.2155.5155.2-77-148.6169.8-151.50117.9
355M25.9Very low32.8Very low136 Ų136126.7 Ų126.767%0.6776%0.76SS**  cis-165.4-179.7-20.1-166.8153.3-170.200109.9
356D28.5Very low32.9Very low128 Ų128134.4 Ų134.468%0.68477%0.767SS**  trans-44166.7-179.3-54.8-87.4000117.3
357T30.4Very low32.9Very low135 Ų135137.1 Ų137.183%0.82877%0.767SS**  cis-152.6177.146.153.10000117.1
358S31.1Very low32.8Very low102 Ų102142.1 Ų142.171%0.71376%0.764SS**  trans-69.4173.8175.748.50000114.6
359E31.4Very low32.9Very low175 Ų175142.3 Ų142.382%0.81875%0.754SS**  -166.9169.662.1-75.8-170.113400116.2
360S31.6Very low32.5Very low109 Ų109145.3 Ų145.376%0.76276%0.756SS**  trans73.791.8156.5560000121.3
361E31.8Very low32.6Very low186 Ų186147.2 Ų147.287%0.86975%0.751SS**  54.1134.9120.6-140.460.5-134.900123.1
362S32.8Very low32.4Very low84 Ų84148.9 Ų148.959%0.58776%0.757SS**  trans-78.9171.9175.2-128.90000112.4
363P47Very low32.4Very low125 Ų125144.2 Ų144.281%0.81276%0.76SS**  -141.6144.352.736.7-15.4000119
364V31.4Very low32.4Very low119 Ų119138.8 Ų138.872%0.72177%0.765SS**  trans-65.3-179.7150.8-102.80000111.2
365P46Very low32.5Very low98 Ų98135.8 Ų135.864%0.63677%0.766SS**  cis-130.3-173.3-1.416.910.9000112.5
366R32.4Very low33Very low235 Ų235137.6 Ų137.689%0.88777%0.773SS**  cis-161.6145.6-13-108.5156.5-163.6157.43.7106.4
367K31.2Very low33.3Very low198 Ų198140.9 Ų140.986%0.86178%0.784SS**  trans-149.8129.9163.4-141.5170.9-170.7172.20113.6
368R31.1Very low33.6Very low204 Ų204145.3 Ų145.377%0.7779%0.786SS**  trans20118.1156.7-67.6-179.374.3-157.14120.4
369I36Very low33.6Very low128 Ų128146.8 Ų146.866%0.65680%0.796SS**  trans69.1131.3136.7-47.5160.2000117.1
370I26.5Very low33.5Very low153 Ų153141.6 Ų141.679%0.78579%0.79SS**  174.4133.9124.8-89168000112.7
371I32.8Very low34.3Very low142 Ų142142.3 Ų142.373%0.72879%0.791SS**  trans-10.4142.5151.4-47.1170.8000118
372S28.2Very low35.3Very low119 Ų119138.8 Ų138.883%0.83279%0.785SS**  trans25.4139.8156-50.70000121.7
373G30.8Very low35Very low80 Ų80140.7 Ų140.783%0.82579%0.793SS**  cis140.9162.72.100000112.7
374G34.2Very low34.1Very low83 Ų83140.4 Ų140.486%0.85679%0.789SS**  trans105.7152.3161.900000119
375S30.9Very low34Very low113 Ų113141.9 Ų141.979%0.7979%0.792SS**  trans-170.6145.5167.998.40000108.2
376Q37.7Very low33.1Very low173 Ų173140.9 Ų140.981%0.80880%0.799SS**  cis-146.9160.2-10.4-68.5-166.8-3.300109.9
377Q33.2Very low32.8Very low197 Ų197134.3 Ų134.392%0.92180%0.795SS**  -156.8-178.7127.6-114.7179.1-2.100111.5
378R37Very low32.7Very low229 Ų229132.2 Ų132.286%0.86479%0.794SS**  trans-96.3162.3-149.3-78174.3143.7-157.6-4.2117.4
379S31.3Very low32.5Very low132 Ų132127.2 Ų127.292%0.92379%0.79SS**  trans86.7159149.976.60000120.3
380G30.5Very low32.2Very low67 Ų67129.7 Ų129.769%0.69180%0.796SS**  trans172.5-165.5-177.700000107.6
381P47.6Very low32.4Very low123 Ų123130.5 Ų130.580%0.79980%0.798SS**  cis-125.2-145.4-10.241.4-22.7000109.6
382P52.1Low32.1Very low112 Ų112129.3 Ų129.373%0.72780%0.803SS**  cis-121.2-156.5-38.324-0.9000112.5
383V26.6Very low32.3Very low125 Ų125127.4 Ų127.476%0.75879%0.794SS**  trans111101147.3-177.10000119.8
384V29.1Very low32.5Very low119 Ų119131.2 Ų131.272%0.72179%0.791SS**  trans79.7125.3137.5171.20000123.5
385N29.6Very low32.2Very low150 Ų150137.2 Ų137.280%0.80279%0.787SS**  trans22.6127.8147-50.9-10.6000122.9
386G25.8Very low32.3Very low76 Ų76136.3 Ų136.378%0.78479%0.787SS**  108.6142.198.400000120.6
387A27.1Very low32.1Very low97 Ų97135.2 Ų135.280%0.80279%0.785SS**  trans66.8132.3153.500000122.4
388N28.6Very low32.2Very low155 Ų155132 Ų13283%0.82978%0.779SS**  trans44.5141.1138.5-74.9-9.6000124.7
389S27.5Very low31.9Very low98 Ų98126 Ų12669%0.68578%0.779SS**  trans80.3110140.5-71.20000122.2
390K28.6Very low32Very low181 Ų181130.4 Ų130.479%0.78778%0.775SS**  53.9141.1122.2-69.1-176.3178178.10122.4
391M30.2Very low32.8Very low169 Ų169132.2 Ų132.283%0.83377%0.774SS**  trans73.2109.1145.2-75.7161.957.500117.2
392S27.2Very low32.1Very low118 Ų118135 Ų13583%0.82577%0.774SS**  120.8152.590.7-163.80000107.2
393A33.5Very low31.3Very low79 Ų79136.3 Ų136.365%0.65378%0.779SS**  cis-146.7-170.412.600000109
394Q34.6Very low31.6Very low160 Ų160133.5 Ų133.575%0.74878%0.776SS**  cis-158.7-166.5-4.5-143.1-177104.400109.5
395R28.2Very low31.8Very low209 Ų209137.6 Ų137.679%0.78979%0.787SS**  trans22.6114.4158.9-50.6178.7100.5163.82.8118.8
396A32Very low31.8Very low94 Ų94135.1 Ų135.178%0.77779%0.788SS**  68.2144.359.100000113.4
397I33.3Very low32.1Very low150 Ų150135.3 Ų135.377%0.76979%0.789SS**  cis-146.6126.932.9-52.6158.3000109.6
398T34.8Very low32.4Very low129 Ų129136.1 Ų136.179%0.79179%0.789SS**  -175.4120.59729.70000107.4
399A30.9Very low32.7Very low104 Ų104132.9 Ų132.986%0.8678%0.784SS**  97.1144.784.600000113.4
400R33.6Very low33.1Very low223 Ų223133.8 Ų133.884%0.84279%0.79SS**  trans-148.3-129.2-159.1-144.5-171.6173.3-165.75.3108.3
401P47.2Very low33.3Very low105 Ų105129.8 Ų129.868%0.68279%0.791SS**  -96.6172.2-67.912.311.9000112.2
402K34.2Very low33.4Very low182 Ų182133.9 Ų133.979%0.79180%0.797SS**  67.313059.3-156.6-179.9-179.7-177.30116
403V34.6Very low33.6Very low139 Ų139136 Ų13684%0.84280%0.796SS**  trans-36.5130.7179.2179.90000117.5
404G32.8Very low33.4Very low66 Ų66139.2 Ų139.268%0.6880%0.802SS**  106.2104.1124.200000120.8
405Q33.3Very low34.4Very low205 Ų205136.8 Ų136.896%0.95880%0.8SS**  trans74.1139.1143.4-151162.34.500120
406A30.8Very low34.6Very low99 Ų99136 Ų13682%0.81881%0.805SS**  trans-108.5174.917100000110.3
407G31.2Very low34.6Very low79 Ų79142 Ų14281%0.81481%0.808SS**  cis-131.4-136.1-7.900000109.3
408S33.7Very low34.4Very low114 Ų114146.2 Ų146.280%0.79781%0.814SS**  cis-164.6150.4-12.8-159.60000105.3
409A34.5Very low34.1Very low88 Ų88143.5 Ų143.573%0.72781%0.811SS**  cis69.712835.500000114.3
410S35.3Very low34.3Very low116 Ų116143.7 Ų143.781%0.81181%0.806SS**  cis-161164.20.4-156.20000114.8
411A34.5Very low34.2Very low98 Ų98137.7 Ų137.781%0.8180%0.798SS**  trans45.5129.4149.900000124.1
412R30.5Very low33.4Very low254 Ų254139.4 Ų139.496%0.95880%0.802SS**  trans-138.1160138.9-159.1171.1-176.31801.1108.9
413M32.7Very low33.2Very low164 Ų164139 Ų13981%0.80880%0.8SS**  trans-80.4164-161.8-70.7-102.461.800116.6
414L29.5Very low33.2Very low146 Ų146138.6 Ų138.676%0.76479%0.792SS**  trans-56.7178.2162.6-86.682.1000113.4
415P55.3Low33.2Very low108 Ų108142.2 Ų142.270%0.70180%0.796SS**  cis-132.7171.2-16.231.2-12.9000114.7
416Q32.6Very low33Very low193 Ų193137.4 Ų137.490%0.90279%0.785SS**  -175.1-170.9124.2-103.2-167.912.200113.8
417R30.6Very low33Very low220 Ų220140.4 Ų140.483%0.8379%0.786SS**  trans-123.3167.3-159-57.6165.873.6-160.710.4113.7
418R30.3Very low33.1Very low239 Ų239141.8 Ų141.890%0.90278%0.784SS**  trans85.1147.8161-69.1-172.7164.8-143.7-0.4118.8
419G28.1Very low32.9Very low72 Ų72143.5 Ų143.574%0.74278%0.784SS**  trans94.4143.7160.900000116.3
420S34.4Very low32.8Very low107 Ų107144.2 Ų144.275%0.74878%0.783SS**  179.1134.5-73.953.50000110.1
421S31.3Very low32.7Very low97 Ų97146.2 Ų146.268%0.67879%0.785SS**  trans68148.415670.10000122.6
422N30.9Very low32.6Very low142 Ų142146.7 Ų146.776%0.75978%0.782SS**  trans80.8159.5154.5-60.1-25000119.9
423K30.9Very low32.7Very low174 Ų174142 Ų14276%0.75778%0.776SS**  cis176.4160.4-46.7-124.4-178.5169.5-174.60109.4
424I34.4Very low32.7Very low129 Ų129138.7 Ų138.766%0.66277%0.769SS**  trans78.1123.1147.6-73.5165.2000120.9
425N31.8Very low33Very low142 Ų142138.8 Ų138.876%0.75977%0.769SS**  trans48.1170.3144.1-532.3000120.9
426S29.9Very low31.9Very low105 Ų105144.2 Ų144.273%0.73478%0.775SS**  cis-143141.44.1-38.80000108.4
427L31.3Very low31.9Very low162 Ų162139.6 Ų139.685%0.84877%0.765SS**  58.1143.279-81.7172.1000117.7
428S32.5Very low32.2Very low108 Ų108135.3 Ų135.376%0.75576%0.763SS**  trans87.985.1161.1-56.80000121.5
429N30.1Very low33.3Very low149 Ų149129.4 Ų129.480%0.79776%0.756SS**  30.2121.3111.2-173.168.1000120.3
430S32.3Very low33.5Very low103 Ų103130.8 Ų130.872%0.7276%0.76SS**  174.7123.7123.1-78.20000115.9
431N31.8Very low33.4Very low159 Ų159131.7 Ų131.785%0.8576%0.761SS**  trans46.1154131.7-115-3.1000125.9
432S33.3Very low33.6Very low108 Ų108137.8 Ų137.876%0.75577%0.769SS**  trans102.7137.6150.276.80000121.8
433N32.5Very low33.5Very low154 Ų154135 Ų13582%0.82476%0.761SS**  trans-57.7168.7-177.1-50.3-31.7000113.6
434S33.5Very low33.7Very low95 Ų95134 Ų13466%0.66477%0.77SS**  172.1141.559.3-145.40000114.7
435I34.8Very low33.5Very low148 Ų148131.7 Ų131.776%0.75978%0.778SS**  trans63.7125.8132.1-72.6176000123.3
436R32.6Very low33.5Very low222 Ų222129.2 Ų129.284%0.83879%0.786SS**  trans102118.4138.4-108.7176.1176-117.72.5125.2
437S33.4Very low33.5Very low97 Ų97128.2 Ų128.268%0.67879%0.792SS**  74.2142.8128.753.10000124.4
438T36.8Very low33.5Very low129 Ų129124.3 Ų124.379%0.79179%0.79SS**  trans-90.8-164.7169.560.20000110.5
439P52.7Low33.3Very low116 Ų116123.4 Ų123.475%0.75380%0.798SS**  cis-129.5180-16.933.1-13.5000114.1
440A32.2Very low33.3Very low101 Ų101120.4 Ų120.484%0.83580%0.803SS**  trans-148.5157.1159.100000111.2
441T33.3Very low33.3Very low125 Ų125119.1 Ų119.177%0.76781%0.806SS**  trans-134.9-179.3-169.554.10000112.4
442R33.8Very low33.3Very low226 Ų226122 Ų12285%0.85381%0.811SS**  trans87.6161.9164.2-62.6177.566.5-169.71.6118.5
443S30.5Very low33.1Very low83 Ų83120.5 Ų120.558%0.5881%0.812SS**  cis176.9117.4-47.156.60000110.6
444T35.1Very low33Very low154 Ų154121 Ų12195%0.94582%0.815SS**  trans-167.915016218.70000107.9
445G29.3Very low32.8Very low80 Ų80120.1 Ų120.183%0.82581%0.813SS**  cis135.4115.61.600000109.4
446G31.7Very low32.6Very low90 Ų90118.7 Ų118.793%0.92882%0.817SS**  trans-152.1152.6-169.600000116.2
447G30.4Very low32.5Very low84 Ų84115.1 Ų115.187%0.86681%0.814SS**  trans150.8150.9-179.100000109.9
448G30.2Very low32.4Very low79 Ų79118 Ų11881%0.81482%0.822SS**  cis175.2148.2-7.300000112.1
449G29.4Very low32.2Very low89 Ų89114.9 Ų114.992%0.91882%0.816SS**  trans77.2158.5179.600000115.3
450G30.3Very low31.2Very low87 Ų87117.8 Ų117.890%0.89782%0.816SS**  cis157.2126.9-14.700000114.9
451G30.9Very low31.4Very low76 Ų76120.9 Ų120.978%0.78482%0.819SS**  trans130.5134.2155.200000119.3
452K32.1Very low31.5Very low219 Ų219120 Ų12095%0.95281%0.809SS**  trans69.7152.9159.9-65.3-175.2175.5-178.60119.8
453G29.3Very low31.6Very low76 Ų76114.6 Ų114.678%0.78481%0.806SS**  trans-91.3-162.4175.300000113.2
454D29.9Very low32Very low165 Ų165120.2 Ų120.288%0.88282%0.823SS**  cis-153.3168.824.5-17326000113
455A31Very low32.1Very low76 Ų76117.9 Ų117.963%0.62881%0.813SS**  trans74.3141.7159.300000122.6
456S29.3Very low32.6Very low119 Ų119122.5 Ų122.583%0.83281%0.813SS**  trans86.3151.3156.976.90000121
457N31.7Very low33.2Very low146 Ų146125.8 Ų125.878%0.78181%0.81SS**  trans-25.9151.3179.4-57-12.1000117.3
458D31.5Very low33.6Very low158 Ų158128 Ų12885%0.84580%0.799SS**  cis-151.8-174.745.1-137.4-52.2000115.3
459G32.3Very low34.4Very low64 Ų64129.3 Ų129.366%0.6679%0.793SS**  trans-65130.4-161.700000117.7N461G459-N461 PolarHBondContact O-N 3.26Å
460K31.9Very low34.9Very low177 Ų177131.2 Ų131.277%0.7779%0.787SS**  trans-71.6110.8165.7-85.2176.4167.3-103.70111.6D462K460-D462 VanDerWaalsContact CD-OD2 3.24Å; K460-D462 WeakPolarHBondContact CD-OD2 3.4Å; K460-D462 WeakPolarHBondContact CE-OD2 3.33Å; K460-D462 WeakPolarHBondContact CG-OD2 3.25Å; K460-D462 IonicContact NZ-OD2 3.33Å; K460-D462 PolarHBondContact NZ-OD2 3.32Å
461N36.2Very low35.4Very low166 Ų166134.9 Ų134.989%0.88878%0.779SS**  trans-8881.2145.1-89.1-47.4000108.1G459G459-N461 PolarHBondContact O-N 3.26Å
462D34.8Very low36.1Very low106 Ų106137 Ų13757%0.56778%0.776SS**  trans-101.2108.5163.1-77.1-45.1000108.3K460K460-D462 VanDerWaalsContact CD-OD2 3.24Å; K460-D462 WeakPolarHBondContact CD-OD2 3.4Å; K460-D462 WeakPolarHBondContact CE-OD2 3.33Å; K460-D462 WeakPolarHBondContact CG-OD2 3.25Å; K460-D462 IonicContact NZ-OD2 3.33Å; K460-D462 PolarHBondContact NZ-OD2 3.32Å
463S36.4Very low36.8Very low112 Ų112133.6 Ų133.678%0.78377%0.767SS**  trans-64.5134.2165.5-59.50000108.7S465S463-S465 PolarHBondContact O-N 2.87Å
464E37.6Very low37.8Very low201 Ų201133.5 Ų133.594%0.93975%0.751SS**  trans-6688.2165.8-67.3-177.7125.500108.6E466E464-E466 PolarHBondContact O-N 2.85Å
465S37.2Very low38.7Very low105 Ų105129.8 Ų129.873%0.73473%0.731SS**  trans-61.6127.2171.153.50000108.8S463 D467S463-S465 PolarHBondContact O-N 2.87Å; S465-D467 PolarHBondContact O-N 2.94Å
466E41.3Very low39.8Very low177 Ų177131.7 Ų131.783%0.82773%0.73SS**  trans-49.7132.5173.8-62.2-179.2131.500109.9E464 M468E464-E466 PolarHBondContact O-N 2.85Å; E466-M468 PolarHBondContact O-N 3Å
467D44.1Very low40.7Very low159 Ų159130.5 Ų130.585%0.8571%0.714SS**  trans-68.878.4176.7-175.923.1000109.6S465 P469S465-D467 PolarHBondContact O-N 2.94Å; D467-P469 VanDerWaalsContact O-CD 3.27Å; D467-P469 WeakPolarHBondContact O-CD 3.43Å
468M38.6Very low41.5Very low132 Ų132127.5 Ų127.565%0.6570%0.698SS**  trans-67.8115.6175.1-96-140.169.300108.5E466 T470E466-M468 PolarHBondContact O-N 3Å; M468-T470 PolarHBondContact O-N 3.4Å; M468-T470 PolarHBondContact O-OG1 2.99Å
469P46.6Very low42.8Very low105 Ų105124.5 Ų124.568%0.68268%0.681SS**  trans-65.299.5178.526.5-33.8000109.3D467 F471D467-P469 VanDerWaalsContact O-CD 3.27Å; D467-P469 WeakPolarHBondContact O-CD 3.43Å; P469-F471 PolarHBondContact O-N 2.83Å
470T40.3Very low43.7Very low130 Ų130126.8 Ų126.880%0.79868%0.677SS**  trans-72.6101.3-177.5-65.30000108.8M468 T472M468-T470 PolarHBondContact O-N 3.4Å; M468-T470 PolarHBondContact O-OG1 2.99Å; T470-T472 PolarHBondContact O-N 2.8Å
471F39.7Very low44.5Very low164 Ų164124.9 Ų124.972%0.71968%0.675SS**  trans-85.6107.7177.357.4-86.3000110.1P469 I473P469-F471 PolarHBondContact O-N 2.83Å; F471-I473 HydrophobicContact CD2-CG1 4.08Å; F471-I473 HydrophobicContact CE2-CD1 4.22Å; F471-I473 HydrophobicContact CE2-CG1 4.25Å; F471-I473 PolarHBondContact O-N 2.85Å
472T46.3Very low45.2Very low119 Ų119122.7 Ų122.773%0.7366%0.659SS**  trans-69.8117.9172.1-46.60000109.5T470 V474T470-T472 PolarHBondContact O-N 2.8Å; T472-V474 HydrophobicContact CG2-CG2 4.19Å; T472-V474 PolarHBondContact O-N 2.77Å
473I45.9Very low45.8Very low149 Ų149122.9 Ų122.976%0.76466%0.661SS**  trans-82.3110.5169-55.5177.2000107.4F471F471-I473 HydrophobicContact CD2-CG1 4.08Å; F471-I473 HydrophobicContact CE2-CD1 4.22Å; F471-I473 HydrophobicContact CE2-CG1 4.25Å; F471-I473 PolarHBondContact O-N 2.85Å
474V50.7Low46.5Very low74 Ų74125.6 Ų125.645%0.44867%0.666SS.*  trans-96.4141.3171.9-177.60000107.9T472 D478 I479T472-V474 HydrophobicContact CG2-CG2 4.19Å; T472-V474 PolarHBondContact O-N 2.77Å; V474-D478 HydrophobicContact CG1-CB 3.89Å; V474-I479 HydrophobicContact CG1-CD1 4.39Å; V474-I479 HydrophobicContact CG1-CG1 3.95Å
475N48.3Very low47.2Very low86 Ų86121.7 Ų121.746%0.4666%0.656SS.*  trans-72.2145.6176.5-172.132.7000110D477 D478N475-D477 PolarHBondContact ND2-OD2 3.18Å; N475-D477 PolarHBondContact O-N 2.95Å; N475-D478 WeakPolarHBondContact CB-OD2 3.31Å; N475-D478 PolarHBondContact N-OD2 3.18Å; N475-D478 WeakPolarHBondContact O-CB 3.38Å; N475-D478 PolarHBondContact O-N 2.74Å
476I54.9Low47.7Very low117 Ų117122.8 Ų122.860%0.665%0.653SS**Hα-helixtrans-64.4-33.8-174.2-63.4175.1000110.7D478 I479 I480I476-D478 VanDerWaalsContact C-N 3.28Å; I476-D478 PolarHBondContact O-N 3.03Å; I476-I479 PolarHBondContact O-N 3.26Å; I476-I480 HydrophobicContact CG2-CD1 3.86Å; I476-I480 PolarHBondContact O-N 3.02Å
477D48.3Very low47.6Very low94 Ų94120.2 Ų120.250%0.50364%0.643SS.*Hα-helixtrans-65.8-27.5176.4-47.5-57.3000112.8N475 I479 N481N475-D477 PolarHBondContact ND2-OD2 3.18Å; N475-D477 PolarHBondContact O-N 2.95Å; D477-I479 VanDerWaalsContact C-N 3.27Å; D477-I479 PolarHBondContact O-N 3.18Å; D477-N481 PolarHBondContact O-N 3.31Å; D477-N481 PolarHBondContact O-ND2 3.4Å
478D49Very low47.4Very low83 Ų83118.3 Ų118.344%0.44464%0.643SS.*Hα-helixtrans-73.1-22.4177.3-59.6-35.1000112.1V474 N475 I476 Q482V474-D478 HydrophobicContact CG1-CB 3.89Å; N475-D478 WeakPolarHBondContact CB-OD2 3.31Å; N475-D478 PolarHBondContact N-OD2 3.18Å; N475-D478 WeakPolarHBondContact O-CB 3.38Å; N475-D478 PolarHBondContact O-N 2.74Å; I476-D478 VanDerWaalsContact C-N 3.28Å; I476-D478 PolarHBondContact O-N 3.03Å; D478-Q482 WeakPolarHBondContact O-CG 3.13Å; D478-Q482 PolarHBondContact O-NE2 2.94Å
479I57.9Low47.6Very low95 Ų95123.4 Ų123.449%0.48766%0.655SS.*Hα-helixtrans-84-49.6179.9-57.1174.4000109.7V474 I476 D477 N481 Q482V474-I479 HydrophobicContact CG1-CD1 4.39Å; V474-I479 HydrophobicContact CG1-CG1 3.95Å; I476-I479 PolarHBondContact O-N 3.26Å; D477-I479 VanDerWaalsContact C-N 3.27Å; D477-I479 PolarHBondContact O-N 3.18Å; I479-N481 PolarHBondContact O-N 3.4Å; I479-N481 VanDerWaalsContact O-N 3.16Å; I479-Q482 PolarHBondContact O-N 2.97Å
480I52.6Low47.3Very low111 Ų111122.7 Ų122.757%0.56965%0.652SS**Hα-helixtrans-61.1-26.9-177.1-65.3170.1000111.9I476I476-I480 HydrophobicContact CG2-CD1 3.86Å; I476-I480 PolarHBondContact O-N 3.02Å
481N48.1Very low47.3Very low137 Ų137124.9 Ų124.973%0.73365%0.653SS**THydrogen-bonded Turntrans-91.913.7178.1-68.1-69.1000114.5D477 I479D477-N481 PolarHBondContact O-N 3.31Å; D477-N481 PolarHBondContact O-ND2 3.4Å; I479-N481 PolarHBondContact O-N 3.4Å; I479-N481 VanDerWaalsContact O-N 3.16Å
482Q50.4Low47.3Very low120 Ų120123.7 Ų123.756%0.56166%0.659SS**  trans-122.2-0.5-178.1-78.5-172.562.400116.3D478 I479 D484 V485D478-Q482 WeakPolarHBondContact O-CG 3.13Å; D478-Q482 PolarHBondContact O-NE2 2.94Å; I479-Q482 PolarHBondContact O-N 2.97Å; Q482-D484 PolarHBondContact O-N 2.97Å; Q482-D484 VanDerWaalsContact O-N 3.11Å; Q482-V485 PolarHBondContact O-N 3.37Å
483D48.4Very low46.6Very low111 Ų111122.3 Ų122.359%0.59466%0.66SS**THydrogen-bonded Turntrans-61.9-22.1-175.2-80.8-38.9000114.6V485D483-V485 PolarHBondContact O-N 3.18Å
484D51.2Low46Very low169 Ų169123.4 Ų123.490%0.90466%0.664SS**THydrogen-bonded Turntrans-81.4-7.8-174.8-88.2-29.1000116.2Q482Q482-D484 PolarHBondContact O-N 2.97Å; Q482-D484 VanDerWaalsContact O-N 3.11Å
485V52.3Low45.2Very low119 Ų119124.3 Ų124.372%0.72168%0.68SS**THydrogen-bonded Turntrans-113.2-29.7-167.3-1770000115.6Q482 D483Q482-V485 PolarHBondContact O-N 3.37Å; D483-V485 PolarHBondContact O-N 3.18Å
486L45.8Very low44.3Very low128 Ų128125.2 Ų125.267%0.6770%0.699SS**SBendtrans-113-10.8-166-68.1178.9000117.1S488L486-S488 VanDerWaalsContact C-N 3.28Å; L486-S488 PolarHBondContact O-N 2.94Å
487I40.1Very low43.1Very low122 Ų122124.4 Ų124.463%0.62670%0.704SS**G310 helixtrans-73-20-177.3-60.3179000112.5R489I487-R489 PolarHBondContact O-N 3.18Å
488S39.4Very low42.2Very low120 Ų120125.3 Ų125.384%0.83972%0.724SS**G310 helixtrans-83.79.3-175.7-67.60000116.4L486L486-S488 VanDerWaalsContact C-N 3.28Å; L486-S488 PolarHBondContact O-N 2.94Å
489R43.1Very low41.4Very low238 Ų238125.9 Ų125.990%0.89874%0.74SS**G310 helixtrans-136.68.8-174.8-88.3-167.4172.4-133.3-1.8118.2I487I487-R489 PolarHBondContact O-N 3.18Å
490S40.8Very low40Very low90 Ų90125.5 Ų125.563%0.62976%0.76SS**SBendtrans-1017.2-17950.70000115.6
491H40Very low38.9Very low176 Ų176123.7 Ų123.782%0.81577%0.769SS**SBendtrans-10822.1-176.3-80.2-53.2000116.5
492T39.5Very low38.1Very low139 Ų139124.5 Ų124.585%0.85377%0.773SS**SBendtrans-152.381.7164.2480000113
493A30.9Very low37.2Very low91 Ų91123.4 Ų123.475%0.75278%0.779SS**  trans-161.8161.2161.400000110.8
494M34.7Very low36.5Very low171 Ų171124.6 Ų124.684%0.84278%0.784SS**  trans61.740.5173.2-60.2-57.9-177.800117.1
495A33.7Very low35.7Very low94 Ų94125.2 Ų125.278%0.77778%0.779SS**SBend-105146.9128.900000108.3
496A29.5Very low34.8Very low104 Ų104128.6 Ų128.686%0.8678%0.784SS**  trans66.474174.400000118.7
497S30.3Very low34.2Very low101 Ų101128.9 Ų128.971%0.70679%0.79SS**  trans-154.4124.8137.152.80000107.6
498A28.2Very low33.7Very low112 Ų112126.9 Ų126.993%0.92679%0.792SS**SBendcis-105.4113.634.700000116.3
499A32.2Very low33.4Very low95 Ų95129.6 Ų129.679%0.78580%0.796SS**  trans-147.1103.4148.400000106.7
500G28.6Very low32.7Very low88 Ų88122.2 Ų122.291%0.90779%0.794SS**  trans-91.6132.9178.500000111
501G30.3Very low32.2Very low73 Ų73129.5 Ų129.575%0.75381%0.808SS**  trans165.972.5179.700000117
502N31.1Very low32.9Very low153 Ų153125.4 Ų125.482%0.81880%0.797SS**  trans40.299.8146.3-64.5-8.2000121.5
503S32.1Very low32.6Very low98 Ų98128.9 Ų128.969%0.68579%0.794SS**  85.2164.1110.181.40000122.7
504I32.9Very low32.7Very low136 Ų136129 Ų12970%0.69779%0.786SS**  trans91101.6154.8-69.8167.1000120
505K34.4Very low32.8Very low182 Ų182129 Ų12979%0.79178%0.781SS**  trans66.6108.4136.5-63.2177.1-164.5169.30122.9
506K33.8Very low32.7Very low190 Ų190131 Ų13183%0.82678%0.779SS**  67.4117.1116.8-75.3-165.1173.5-172.30122.9
507V31.8Very low32.8Very low133 Ų133133.1 Ų133.181%0.80677%0.774SS**  85.6137.9116.7170.90000121.9
508A30.3Very low32.9Very low80 Ų80131.3 Ų131.366%0.66177%0.771SS**  trans94.7118.8150.600000122.6
509L33.2Very low33.2Very low178 Ų178132.9 Ų132.993%0.93277%0.77SS**  trans29.5127.8131.2-71.271.9000120.8
510G28.8Very low33Very low83 Ų83131.2 Ų131.286%0.85676%0.762SS**  trans-168.3117.1156.100000111.3
511R30.4Very low33.1Very low242 Ų242134.5 Ų134.591%0.91376%0.758SS**  trans-119.8-178.7-178.8-134.6-154.4164.5-163.21.7110.1
512P55Low33.2Very low91 Ų91136.2 Ų136.259%0.59176%0.759SS**  -120-152.5-120.238.4-17.9000112.7
513R32.6Very low33.2Very low211 Ų211135.6 Ų135.680%0.79676%0.761SS**  trans91.1148.9166.1-58.117973126.2-9.7115.3
514T32.6Very low33.3Very low94 Ų94135.7 Ų135.758%0.57777%0.767SS**  cis-166.7143.9-9.824.80000114.2
515K36.5Very low33.3Very low172 Ų172132.7 Ų132.775%0.74877%0.77SS**  trans72.8165130.8-80.6178.5170.3-1590123.9
516N32.1Very low33.4Very low136 Ų136130.2 Ų130.273%0.72777%0.765SS**  trans82.8134148.8-75.7-1.2000116
517I30.9Very low33.7Very low147 Ų147129.1 Ų129.175%0.75476%0.76SS**  cis-137.2145-2.9-79.3128.3000105.8
518G33.1Very low34Very low63 Ų63132.5 Ų132.565%0.64976%0.764SS**  66.9151.28000000113.6
519T33.8Very low34Very low146 Ų146133.5 Ų133.590%0.89677%0.766SS**  cis-171.9158.8-11-2.10000106.8
520G28.9Very low33.8Very low59 Ų59132.5 Ų132.561%0.60876%0.761SS**  cis177.4-168.31.700000111.4
521N31.6Very low33.8Very low157 Ų157134 Ų13484%0.8475%0.753SS**  trans65.9112.8170.2-61.81.2000117.3
522S31.6Very low33.9Very low110 Ų110127.9 Ų127.977%0.76974%0.743SS**  92.9135.177.4-680000112.4
523V31.4Very low32.6Very low140 Ų140130.5 Ų130.585%0.84875%0.751SS**  cis-147.11788.2106.10000111.8
524A34.5Very low32.8Very low99 Ų99125.7 Ų125.782%0.81875%0.75SS**  trans-49.1157.5-173.100000118.1
525G32.5Very low32.7Very low74 Ų74128.1 Ų128.176%0.76377%0.765SS**  cis159.5-149.6-3.800000114.9
526D35.9Very low32.5Very low130 Ų130128.1 Ų128.170%0.69577%0.768SS**  trans93.3129.4167.3-129.9-3.6000120.5
527K39.7Very low32.5Very low166 Ų166130.7 Ų130.772%0.72277%0.772SS**  trans63.194.5158.7-68.1139.3-172.2161.60123.6
528K38.1Very low32.6Very low204 Ų204128.3 Ų128.389%0.88777%0.769SS**  18.2142.6121.3-54.9175-177.6179.40118.6
529S30.1Very low32.4Very low101 Ų101133.7 Ų133.771%0.70678%0.782SS**  cis-166.8143.75.341.60000108.9
530I30.5Very low32.2Very low158 Ų158132.3 Ų132.381%0.8178%0.778SS**  59.6123.568.6-70.9176.8000112.3
531T28.6Very low32.2Very low113 Ų113133.8 Ų133.869%0.69379%0.785SS**  cis-167.5137.60.6-104.80000114.7
532V31.4Very low32.1Very low115 Ų115131 Ų13170%0.69778%0.784SS**  trans52.3125.4139.4-173.30000124.5
533N29.1Very low32.2Very low145 Ų145132 Ų13278%0.77579%0.785SS**  trans15.6128.6135.3-51.5-10.8000120.1
534S35.8Very low32.2Very low110 Ų110131.9 Ų131.977%0.76978%0.779SS**  82.8132.869.5-166.50000116.1
535T30.7Very low32.5Very low146 Ų146134.4 Ų134.490%0.89677%0.774SS**  trans-165.2165.8169.7-4.30000111.7
536Q32.8Very low32.7Very low172 Ų172137.3 Ų137.380%0.80477%0.772SS**  trans-126.9-179.7-161-62.3-177.1-41.400116
537K32.4Very low32.6Very low189 Ų189137.9 Ų137.982%0.82278%0.775SS**  trans98.5149.9157.1-65-173.1176.21800117.6
538S32.1Very low32.5Very low97 Ų97135.6 Ų135.668%0.67878%0.775SS**  cis145.6137.7-28.960.80000110.9
539L29.9Very low32.2Very low176 Ų176132.4 Ų132.492%0.92177%0.773SS**  trans-166.5164.1164-105.3166000112.7
540S28.8Very low32.3Very low118 Ų118132.3 Ų132.383%0.82578%0.778SS**  trans-149-173.8-164-46.10000113.1
541A29Very low32.1Very low90 Ų90128.5 Ų128.574%0.74478%0.778SS**  cis-165.8168.89.100000114.6
542A28.9Very low32.2Very low98 Ų98131 Ų13181%0.8179%0.787SS**  trans67.1-177.3152.700000119
543V34.1Very low33Very low131 Ų131130.9 Ų130.979%0.79479%0.789SS**  cis-149.7152.317.1-176.50000114.6
544N31.9Very low33.2Very low138 Ų138128 Ų12874%0.73879%0.785SS**  trans-32.7172.8160-69.31.1000121.5
545H40.3Very low33.2Very low151 Ų151131.8 Ų131.870%0.69979%0.787SS**  cis-177.1150.1-33.5-118.5-65.2000112.3
546N37.6Very low33.2Very low136 Ų136134.7 Ų134.773%0.72778%0.782SS**  trans63.6167.7150.4-63.5-4.1000120.3
547N32.5Very low33.2Very low141 Ų141133.3 Ų133.375%0.75478%0.779SS**  cis-148.2-175.415.8-157.113.2000115.5
548T37.2Very low33Very low119 Ų119133.8 Ų133.873%0.7378%0.781SS**  trans-117-175.5-168.560.40000115.4
549T32.1Very low33.2Very low137 Ų137136.4 Ų136.484%0.8479%0.786SS**  trans131.4148.7159.5-62.80000112.9
550A31.8Very low33.3Very low99 Ų99135.8 Ų135.882%0.81878%0.782SS**  cis-174.1166.6-38.800000109.5
551G27.3Very low33.5Very low78 Ų78134 Ų13480%0.80478%0.775SS**  trans164.7139.3167.300000118.1
552N30.1Very low33.7Very low166 Ų166134.5 Ų134.589%0.88877%0.773SS**  trans-130.1-174.2177.4-103.2-38.1000108.6
553P49.4Very low34.1Very low112 Ų112137.5 Ų137.573%0.72778%0.775SS**  cis-139.4175.7641.5-21.8000118.6
554A33.1Very low34Very low84 Ų84135.6 Ų135.669%0.69477%0.768SS**  trans-55.7167.5-179.800000122.3
555K35.3Very low34Very low189 Ų189133.9 Ų133.982%0.82277%0.767SS**  trans-170.1168.8148.2-84.3121.5-157.3171.90111
556R29.9Very low33.7Very low208 Ų208133 Ų13379%0.78577%0.772SS**  cis-177.4104.8-39.6-177.9-176.9-175.1-133.55.1113
557I33.3Very low33.4Very low142 Ų142132.9 Ų132.973%0.72877%0.771SS**  trans71.6152.7155.2-58.1172.3000114.7
558K29Very low33.4Very low200 Ų200133 Ų13387%0.8778%0.777SS**  cis-145.7-165.129.9-145.9161.5-176.6-176.40114.6
559I35.3Very low33.3Very low152 Ų152136.2 Ų136.278%0.77978%0.78SS**  trans-126.5152-161-57.1156.3000112.3
560L31.9Very low33.3Very low163 Ų163138.9 Ų138.985%0.85379%0.786SS**  trans160.9127.8144.3-84.7157.7000109.3
561A33.6Very low33.3Very low81 Ų81137.1 Ų137.167%0.66978%0.778SS**  69.913776.700000114.6
562S33.9Very low34.6Very low99 Ų99139.7 Ų139.769%0.69278%0.78SS**  cis-169164-6.6-85.90000111.3
563N35.8Very low34.7Very low161 Ų161138.6 Ų138.686%0.86178%0.779SS**  trans65.2163.9154.1-67.8-6.8000119
564S32.4Very low33.8Very low92 Ų92140.7 Ų140.764%0.64378%0.779SS**  cis-169150.3-21.4167.80000110.2
565S32.5Very low33.7Very low102 Ų102144.6 Ų144.671%0.71379%0.786SS**  trans53.7149.1152.759.40000120.2
566V34Very low33.4Very low133 Ų133143.4 Ų143.481%0.80678%0.784SS**  -164.7164.759164.80000110.1
567N30.6Very low33.4Very low133 Ų133138.8 Ų138.871%0.71178%0.783SS**  trans-96.2148.6-179.5166.330000113.4
568T33.2Very low33.2Very low142 Ų142140.8 Ų140.887%0.87179%0.79SS**  trans-159.4166.4153.1-1.20000114.1
569K34Very low33.4Very low187 Ų187137.8 Ų137.881%0.81378%0.782SS**  trans-148.2131.1-163163.1-163.5172.7-171.40110.4
570M32.4Very low33.5Very low193 Ų193136.4 Ų136.495%0.95178%0.783SS**  trans-142164.7168.2-80.1-57.9-85.700113.2
571G31.6Very low33.7Very low63 Ų63137.1 Ų137.165%0.64978%0.779SS**  trans-106.7-168.1-169.900000116.1
572P55.8Low33.8Very low131 Ų131139.2 Ų139.285%0.85179%0.786SS**  trans-95.5165.2-16337.7-37.2000115.3
573V32.3Very low34.2Very low144 Ų144145.7 Ų145.787%0.87380%0.795SS**  trans-132.6148.9172179.20000110.1
574H30.6Very low34.5Very low156 Ų156144.2 Ų144.272%0.72279%0.794SS**  trans-140.1139.5178172.484.6000109.7
575I30.1Very low34.8Very low165 Ų165150.6 Ų150.685%0.84681%0.805SS**  trans-159.2170.8165.8-104.1148.7000108.8
576Q30Very low35.2Very low165 Ų165153 Ų15377%0.77181%0.807SS**  trans-152.3141.4-131.2175.2-169.337.400112.8
577S28.3Very low35.3Very low111 Ų111153.8 Ų153.878%0.77681%0.807SS**  trans-154.7104.9167.9640000116.4
578Q30.5Very low35.6Very low184 Ų184154.6 Ų154.686%0.8681%0.811SS**  trans68.2164.5144.1-57.6-65.9-6.700121.5
579L33.5Very low36Very low136 Ų136152.8 Ų152.871%0.71281%0.811SS**  trans-115.3177.7-166.1-116.374.8000111.5
580P36.8Very low36.3Very low123 Ų123152.3 Ų152.380%0.79981%0.811SS**  cis-137-174.829.237.6-14.8000118.8
581K35.7Very low36.4Very low179 Ų179150 Ų15078%0.77880%0.8SS**  trans-65.5169.2-178.8-68.9164.9-174.1167.60113.2
582P35.8Very low36.8Very low124 Ų124150.7 Ų150.781%0.80581%0.807SS**  cis-142.3-179.72842.4-22.3000118.7
583R42.5Very low36.3Very low235 Ų235153.1 Ų153.189%0.88780%0.804SS**PPolyproline II helixtrans-83.5144.7173.8-61.1176.4178.3174.6-2.2111.8
584P42.4Very low36.6Very low130 Ų130156 Ų15684%0.84481%0.805SS**PPolyproline II helixtrans-68.9151165.129.6-33.4000111.9
585R38.4Very low37.2Very low227 Ų227155.6 Ų155.686%0.85781%0.814SS**PPolyproline II helixtrans-70.1145.7-172.5-8317415297.3-8.1113.8
586I41.1Very low37.6Very low151 Ų151155.6 Ų155.677%0.77481%0.81SS**PPolyproline II helixtrans-67.1129.4145.7-62.4167.8000106.9
587L35.3Very low37.9Very low151 Ų151153.5 Ų153.579%0.79181%0.813SS**  trans-109.6120.4167-81.3173.5000109.5
588N37.5Very low38.2Very low149 Ų149155.7 Ų155.780%0.79781%0.814SS**  trans-75.3130.1169.4-62.2-20.1000108.5
589A40.4Very low38.8Very low105 Ų105155.1 Ų155.187%0.86881%0.808SS**  trans-108.476165.800000108.9
590E40.4Very low39.3Very low176 Ų176155 Ų15582%0.82282%0.816SS**  trans-67.3126165.6176.7-179.2173.200109.1
591M36.3Very low39.4Very low144 Ų144156.6 Ų156.671%0.70982%0.817SS**  trans-171.745.2149.8-98-46.8-81.200111.5K593M591-K593 HydrophobicContact CE-CG 4.41Å
592G38.9Very low39.8Very low78 Ų78156.9 Ų156.980%0.80482%0.823SS**  trans-9394.6173.700000111.6
593K46.4Very low39.8Very low182 Ų182156 Ų15679%0.79182%0.82SS**  trans-69138.7-178-69.2-172.6178.9-1770112M591M591-K593 HydrophobicContact CE-CG 4.41Å
594K38.2Very low39.4Very low205 Ų205153.2 Ų153.289%0.89182%0.819SS**  trans-75.4135.5179.5-58.7170.9-177.6171.90111.6
595T42.3Very low39.1Very low147 Ų147150.1 Ų150.190%0.90281%0.81SS**  trans-140.3156.8149.3-25.80000108.9
596Q39.4Very low39.1Very low166 Ų166147.3 Ų147.378%0.77680%0.804SS**  trans-94.6145-159.2-62.1166.1-14.700113.8
597S34.8Very low39.2Very low120 Ų120146.3 Ų146.384%0.83980%0.797SS**  trans-87.995.5155.857.60000109.3
598M36Very low39.4Very low158 Ų158146.5 Ų146.578%0.77880%0.797SS**PPolyproline II helixtrans-71.9143.6172.2-83.1-72.6-77.900111.1
599K42.9Very low39.1Very low171 Ų171144.6 Ų144.674%0.74379%0.794SS**PPolyproline II helixtrans-83.5146.6174-54172.7-175.4175.10109.7
600P44.5Very low39.5Very low134 Ų134144.4 Ų144.487%0.8779%0.785SS**PPolyproline II helixtrans-67.9127.515130.8-30.3000108.3
601L39Very low39.3Very low157 Ų157142.6 Ų142.682%0.82279%0.786SS**  trans-115.1138.3170.3-156.384.6000107.9
602M43.7Very low39.3Very low184 Ų184142.7 Ų142.791%0.90679%0.789SS**  trans-84.6133.7177.2-68.2163.761.700110.6
603S34.7Very low39.3Very low107 Ų107145.1 Ų145.175%0.74879%0.788SS**  trans-159.4105.3165.6-176.40000105.9
604M35.4Very low38.8Very low176 Ų176143 Ų14387%0.86779%0.785SS**  74.3118.571.1-70.5-61-6600113.3
605G35.3Very low38.9Very low64 Ų64138.4 Ų138.466%0.6678%0.775SS**  trans80.3157.8-18000000114.2
606K38.7Very low38.6Very low168 Ų168138.7 Ų138.773%0.7377%0.766SS**  cis-177.3161.27.3-105.1155.4152.3-74.50106.2
607E43Very low38.5Very low131 Ų131139.1 Ų139.161%0.61277%0.768SS**  cis-168.4-175.3-10.848.8-154.112800110.2
608L39.4Very low38.7Very low154 Ų154140.4 Ų140.481%0.80677%0.765SS**  trans84131.6173.3-46.8-174.7000116.7
609C32.4Very low39Very low109 Ų109139.7 Ų139.774%0.73676%0.764SS**  cis-144.4158-6.7-99.50000111
610P47Very low39.2Very low102 Ų102136.5 Ų136.566%0.66276%0.761SS**  trans-87.5164.917037.6-34.8000112.5
611T37.1Very low39.3Very low138 Ų138137.7 Ų137.785%0.84776%0.76SS**  trans-142.5119.4158-56.30000107.9
612D36.1Very low39.5Very low146 Ų146135.8 Ų135.878%0.78176%0.758SS**  trans-93126.6178.6-51-75.5000110.9
613V39.1Very low39.5Very low128 Ų128134.5 Ų134.578%0.77675%0.754SS**  trans-150.9103.9152.5-172.70000103.4
614D35Very low39.7Very low138 Ų138136.6 Ų136.674%0.73876%0.756SS**  79.6149.551.6-157.311000112
615T40.9Very low39.7Very low109 Ų109135.5 Ų135.567%0.66975%0.754SS**  trans68.6131-172.5-28.20000114.3
616E35.8Very low39.7Very low153 Ų153141.5 Ų141.572%0.71576%0.762SS**  cis179.8156.2-23.4-118.2158.4-142.600108.6
617E37.9Very low39.6Very low175 Ų175141.3 Ų141.382%0.81877%0.769SS**  trans59.1164.9157.1-48.4-89.894.400118
618D39.3Very low39.3Very low146 Ų146142.3 Ų142.378%0.78178%0.777SS**  cis-150.4174.9-47.6-165.79.7000107.8
619D41.1Very low39.2Very low143 Ų143141.4 Ų141.477%0.76577%0.773SS**  trans-69.7170.9173.8-117.7-19.3000112.5
620P48.2Very low39.3Very low104 Ų104143.6 Ų143.668%0.67578%0.777SS**  cis-132.4-168-18.840.6-23.1000113
621D45.2Very low38.9Very low159 Ų159145.5 Ų145.585%0.8578%0.781SS**  trans-58.7149.6166.1-69-50.5000112.9
622P43.9Very low39.4Very low118 Ų118144 Ų14477%0.76677%0.774SS**  -141.7152.6114.638-26.9000115.5
623D44.5Very low39.1Very low157 Ų157142.9 Ų142.984%0.8477%0.771SS**  trans-60140.4165.8-61.4-66.4000112
624L37.5Very low38.7Very low150 Ų150142.1 Ų142.179%0.78577%0.767SS**  trans-144.4120.1154.9-82.8-175.1000111.6
625D36.8Very low38.4Very low153 Ų153141 Ų14182%0.81877%0.766SS**  trans-68151.2167.2-56.4-69.9000111.6
626F35.6Very low37.9Very low190 Ų190141.1 Ų141.183%0.83377%0.766SS**  trans-130.786.3165.6-87.6-82.9000110.4
627D35.6Very low37.7Very low164 Ų164140 Ų14088%0.87777%0.77SS**  trans-78.1156.4161-120.4-32.5000110.4
628I37.3Very low37.4Very low152 Ų152136.2 Ų136.278%0.77976%0.763SS**  trans-90.3148.9-163.9-69.4172.6000113.5
629D37.5Very low37Very low136 Ų136135.8 Ų135.873%0.72777%0.765SS**  trans-36133.9-177.4-59.6-86.5000117.4
630N35Very low36.5Very low154 Ų154133.4 Ų133.482%0.82477%0.766SS**  trans-164.589.7137.1-103.8-66000113.8
631I38.1Very low35.8Very low142 Ų142132.5 Ų132.573%0.72877%0.767SS**  11.6132.4130-50.7177.7000116.7
632P46.9Very low35.1Very low108 Ų108130.3 Ų130.370%0.70176%0.764SS**  cis-146.2-163.6-20.143.7-24000115.5
633V30Very low34.6Very low121 Ų121129.5 Ų129.573%0.73377%0.768SS**  trans91.2108.7145.8158.50000120.4
634T30.1Very low33.9Very low113 Ų113126.9 Ų126.969%0.69377%0.768SS**  trans74.8118.8146.853.30000123.8
635T29.6Very low33.6Very low115 Ų115127.6 Ų127.671%0.70677%0.769SS**  80.8110.3129.754.80000122.7
636T30.6Very low33.4Very low111 Ų111126.1 Ų126.168%0.68177%0.765SS**  70.1119.9126.462.70000121.3
637T30.7Very low33.1Very low129 Ų129123.1 Ų123.179%0.79177%0.768SS**  trans59.8140.6133.1580000120.2
638S31.6Very low33Very low96 Ų96119.7 Ų119.767%0.67176%0.762SS**  cis-177.1147-1.545.60000112
639V30.8Very low33.5Very low136 Ų136118.1 Ų118.182%0.82476%0.762SS**  trans65.5136.5136.31720000120.4
640A32.3Very low33Very low94 Ų94116.4 Ų116.478%0.77777%0.767SS**  trans74.5154.4155.100000120.1
641A32.6Very low32.7Very low85 Ų85113.7 Ų113.770%0.70277%0.766SS**  cis-169.5156.9-26.700000111.7
642S31.3Very low32.4Very low113 Ų113113.4 Ų113.479%0.7977%0.771SS**  trans52.8107.2141.4-61.40000122.5
643A32.6Very low31.7Very low101 Ų101113.1 Ų113.184%0.83578%0.778SS**  83.5-176.9112.700000121
644A28.7Very low31.8Very low102 Ų102113.1 Ų113.184%0.84378%0.777SS**  trans89.4152-175.800000116.9
645M32.4Very low31.8Very low164 Ų164115.1 Ų115.181%0.80878%0.784SS**  trans-127.7163.5-161.9-64.9172.162.200112.2
646T32.8Very low31.9Very low122 Ų122118 Ų11875%0.74879%0.786SS**  trans49.6106.9149.850.50000119
647S28.7Very low31.7Very low127 Ų127119.4 Ų119.489%0.88879%0.789SS**  trans-163.4145.2131.622.70000111.8
648A33.1Very low31.5Very low92 Ų92118.9 Ų118.976%0.7678%0.782SS**  trans-100.6176.9160.800000107.9
649P48.4Very low31.4Very low119 Ų119120 Ų12077%0.77378%0.78SS**  cis-142.6-166.79.742-21.9000116.1
650A27.1Very low31.6Very low101 Ų101120.2 Ų120.284%0.83578%0.777SS**  trans86.1175.9147.800000120.4
651A29.1Very low31.6Very low97 Ų97125.2 Ų125.280%0.80278%0.775SS**  trans82.774.3177.600000118.9
652V31.1Very low31.7Very low136 Ų136130.8 Ų130.882%0.82478%0.778SS**  trans-20.7134.9148.2178.20000116.1V654V652-V654 HydrophobicContact CG1-CG2 4.02Å
653A31.5Very low31.6Very low102 Ų102132.3 Ų132.384%0.84378%0.777SS**  trans-141.3132156.500000111.1
654V32.2Very low31.5Very low120 Ų120133.1 Ų133.173%0.72777%0.772SS**  trans-119.4119-175.2179.60000111.4V652V652-V654 HydrophobicContact CG1-CG2 4.02Å
655N31.9Very low31.5Very low155 Ų155135.6 Ų135.683%0.82977%0.77SS**  trans-148.4124.4158.2-84.1-53.8000108.1
656K30.3Very low31.3Very low175 Ų175132.6 Ų132.676%0.76177%0.765SS**  cis98.5115.428-167.1-179.1-176.1178.60113.3
657L26.7Very low31.1Very low141 Ų141132.7 Ų132.774%0.73877%0.766SS**  trans101.2126151.2-133.979.9000121.6
658N26.7Very low31.3Very low119 Ų119133.3 Ų133.364%0.63676%0.764SS**  trans69.1114139-94.3-17.7000124.3
659N29.6Very low31.1Very low120 Ų120133.3 Ų133.364%0.64276%0.764SS**  53.4115.4112.6-92.8-61.2000121.1
660N35.1Very low30.3Very low140 Ų140133 Ų13375%0.74977%0.765SS**  49.3108.9123.2-84.7-50.2000119.2
661R31Very low30.4Very low199 Ų199132.5 Ų132.575%0.75176%0.756SS**  trans-168.2117137.6-105.3154.8-170.1-147.85.2113.7
662R36.1Very low30.7Very low202 Ų202134.3 Ų134.376%0.76276%0.756SS**  trans65.3169.5135.7-63.1173.1-168.7151.70.9118.2
663N28.6Very low30.9Very low144 Ų144134 Ų13477%0.7775%0.75SS**  cis-172.9175.2-38.7-171.432.8000107.7
664V30.6Very low30.9Very low119 Ų119132.8 Ų132.872%0.72174%0.74SS**  trans78.8153.6164.9-157.60000115.9
665L27.9Very low31.2Very low154 Ų154134.8 Ų134.881%0.80675%0.746SS**  trans-109-172179.3-54.695.1000111.3
666S28.6Very low31.3Very low100 Ų100134.2 Ų134.270%0.69974%0.741SS**  trans102.893.3142.4-580000120
667T28.6Very low31.5Very low124 Ų124129.5 Ų129.576%0.76174%0.735SS**  55.2107.912259.80000121.7
668T32.7Very low31.7Very low141 Ų141131 Ų13187%0.86574%0.743SS**  -147122.412045.50000106.9
669A29.2Very low32Very low92 Ų92136.6 Ų136.676%0.7676%0.756SS**  cis89.9126.629.400000114.6
670S31Very low32.2Very low113 Ų113141.7 Ų141.779%0.7977%0.766SS**  trans66.5121.9-178.1-151.50000115.9
671S29.7Very low32Very low90 Ų90142.6 Ų142.663%0.62977%0.77SS**  cis92.1117.117.189.70000117.7
672V36.5Very low31.8Very low134 Ų134137.6 Ų137.681%0.81277%0.766SS**  trans-139.897.8151177.90000104.7
673N34.1Very low31.9Very low130 Ų130133.1 Ų133.170%0.69576%0.757SS**  63.8114.998.7-59.5-33.2000112.8
674A32.3Very low31.9Very low77 Ų77134 Ų13464%0.63676%0.76SS**  cis81126.73600000115.8
675L37.6Very low31.6Very low161 Ų161132.6 Ų132.684%0.84375%0.749SS**  trans-139.7128.7133.9-83.3117.8000107
676I35Very low31.6Very low144 Ų144129.2 Ų129.274%0.73874%0.743SS**  cis90.9131.145.5-72.6166.4000111.6
677A33.4Very low31.7Very low76 Ų76131.6 Ų131.663%0.62875%0.747SS**  cis-168.6152.9-20.800000110.2
678D31Very low31.7Very low171 Ų171133 Ų13391%0.91475%0.75SS**  trans-69.1125.1154.7-107.7-44.6000110.2
679R32.7Very low31.4Very low238 Ų238132.8 Ų132.890%0.89874%0.744SS**  trans-108.4106.3178.8-110.1-175.4176.4-175-0.4112.9
680R33.8Very low31.4Very low226 Ų226133.7 Ų133.785%0.85374%0.74SS**  trans-27.4152.8139.2-67.2-178.2-177.2-166.71.6112.4
681L31Very low31.5Very low160 Ų160136.6 Ų136.684%0.83874%0.741SS**  cis-163.8-171.336.4-135.8160000110.3
682S28.6Very low32.8Very low94 Ų94137.2 Ų137.266%0.65774%0.743SS**  trans-102145.6-179.4-48.80000113.9
683N36.3Very low32.4Very low108 Ų108136.7 Ų136.758%0.57874%0.74SS**  trans62.3108.4158.4-63.5-43.8000120.1H75H75-N683 PolarHBondContact CD2-ND2 3.34Å
684L28.6Very low32.1Very low161 Ų161139.4 Ų139.484%0.84375%0.745SS**  trans-139.6162.6143.6-90.4179.5000111.4
685L25.7Very low32.1Very low91 Ų91144.8 Ų144.848%0.47676%0.755SS.*  trans-39.9155.8165.9-80.8156.3000114.4T73T73-L685 HydrophobicContact CG2-CD1 3.89Å; T73-L685 HydrophobicContact CG2-CD2 3.84Å; T73-L685 HydrophobicContact CG2-CG 3.74Å
686A27.7Very low31.6Very low82 Ų82146.8 Ų146.868%0.67876%0.756SS**  cis-15717514.100000112.2
687D31.3Very low32.3Very low150 Ų150145.4 Ų145.480%0.80276%0.757SS**  trans-75.8172.7160.7-73.3-70000113.1
688N27.7Very low31.9Very low153 Ų153146.4 Ų146.482%0.81876%0.76SS**  trans96.4142.9173.5-62.10.6000117.1
689D26.8Very low31.8Very low138 Ų138145.6 Ų145.674%0.73875%0.754SS**  cis-165.4169.9-31.3-147.2-10.2000111.3
690V28.2Very low31.8Very low111 Ų111140.2 Ų140.267%0.67375%0.748SS**  trans44.6100.9152.9174.80000120.1
691Q33.5Very low32.3Very low174 Ų174134.8 Ų134.881%0.81374%0.742SS**  58.5-174.4127.3-69.2-85.6-18.500119.3
692P56.3Low32.2Very low102 Ų102135.9 Ų135.966%0.66274%0.742SS**  cis-125.2-159.6-13.919.26.9000114.5
693V28.7Very low32.5Very low124 Ų124142.3 Ų142.375%0.75275%0.752SS**  trans92.8125.6155.3-176.70000116.8
694F28.3Very low32Very low186 Ų186149.2 Ų149.282%0.81677%0.77SS**  cis-168.9177-20.1-141.4-90.5000110.7
695K32.8Very low32.1Very low191 Ų191146.7 Ų146.783%0.8377%0.766SS**  trans83.5103.8161.3-63.3-178.9-177.3176.90121
696K27.3Very low32.4Very low202 Ų202151.1 Ų151.188%0.87878%0.782SS**  trans-82.6-174.4142.5-88.8178.8178176.70109.6
697P47.8Very low32.3Very low115 Ų115153.6 Ų153.675%0.74778%0.779SS**  cis-122.7-161.45.243.1-25.1000112.2
698S25.2Very low32.1Very low98 Ų98152.4 Ų152.469%0.68577%0.773SS**  cis-169.2173.627.2-123.60000108.6
699L30.4Very low32.3Very low154 Ų154151.8 Ų151.881%0.80677%0.765SS**  cis-159.8-169.4-13.9-132.2175.3000107.9
700V32.9Very low32.4Very low125 Ų125153.3 Ų153.376%0.75877%0.767SS**  trans-143.5141.1178.9176.10000112.7
701P44.2Very low32.5Very low112 Ų112156.3 Ų156.373%0.72777%0.774SS**  trans-126.6163.9156.937.8-25.3000113.8
702Q29Very low32.3Very low182 Ų182156.3 Ų156.385%0.8577%0.774SS**  cis-163.6145.5-26.5-178.9160.9-58.500111.9
703R33.3Very low31.1Very low230 Ų230159.6 Ų159.687%0.86878%0.781SS**  trans-28.7151.7174-55.1173.2172.1-165.4-3.6120.5
704R25.5Very low31Very low252 Ų252163.2 Ų163.295%0.95178%0.781SS**  -162.2174.2114.5-109.4176.3-177.6-169.40.7113.4
705S31.7Very low31Very low109 Ų109159.8 Ų159.876%0.76277%0.771SS**  trans-161.8149.5-152.253.80000115.4
706K30.9Very low30.9Very low184 Ų184159.8 Ų159.880%0.877%0.771SS**  trans170.1158.7157-97.7-178.5174.1-84.90107.1
707E27.3Very low31.2Very low134 Ų134158.1 Ų158.163%0.62677%0.767SS**  cis-172.5139-18.6-175.9164.2151.400105
708N26.8Very low30.4Very low124 Ų124159.8 Ų159.866%0.66377%0.768SS**  -172.2176.279.9-151.1-7.9000113.3
709Q31.6Very low30.8Very low140 Ų140160.6 Ų160.665%0.65477%0.769SS**  trans-61.2171.4-176.2-59.5157.478.300114.8
710Q29.8Very low30.7Very low170 Ų170159.1 Ų159.179%0.79477%0.767SS**  cis-156.5165.111.5-144.4157.725.100111.9
711E28.9Very low30.8Very low175 Ų175160.9 Ų160.982%0.81877%0.771SS**  trans-85.3159.2171.4-59.6163.995.300112.5
712Q30.4Very low30.2Very low174 Ų174165.2 Ų165.281%0.81377%0.773SS**  179.9156.9113.4-100177.930.600115.1
713Q29.9Very low30.2Very low171 Ų171163 Ų16380%0.79976%0.763SS**  trans67144.9172.1-60.5172.746.300117.2
714R27.8Very low30.1Very low200 Ų200159 Ų15976%0.75576%0.757SS**  cis167.7138.5-42-107.5-150.3-64.6125.1-8.1106.1
715D28Very low30.5Very low114 Ų114154.4 Ų154.461%0.6175%0.75SS**  trans64.6143.2154.1-46.3-26.3000120.4
716K30.6Very low31.1Very low191 Ų191154.1 Ų154.183%0.8375%0.746SS**  trans72.4132.5178.2-50.2175.5-173.9179.80114.1
717E32.8Very low31.1Very low167 Ų167151.6 Ų151.678%0.7875%0.746SS**  cis-145.5131.23.6-131.4158.9-162.900106.8
718L31.6Very low31.1Very low150 Ų150149.1 Ų149.179%0.78576%0.756SS**  38.3121.580.3-86.2105.7000112.8
719T32.4Very low31.2Very low115 Ų115147 Ų14771%0.70676%0.763SS**  cis-145.9123.621.1-58.90000112.7
720T29.4Very low31.2Very low122 Ų122143.9 Ų143.975%0.74877%0.77SS**  trans26.4105.9137.7-44.90000118.9
721L35.6Very low31.5Very low163 Ų163143.1 Ų143.185%0.85377%0.769SS**  trans-56.8158151.5-105.9168.3000111.8
722R30.8Very low31.9Very low203 Ų203141.7 Ų141.777%0.76677%0.767SS**  trans95.1139-178-63.1171.4169.3-103.84.9112.9
723E29.1Very low32.1Very low136 Ų136141.4 Ų141.464%0.63677%0.771SS**  cis-160.5164.32.9-125.8167.311400108.6
724I31.8Very low32.6Very low145 Ų145137.7 Ų137.774%0.74477%0.77SS**  cis-143.1165.411-38.9162.5000109.8
725L33.4Very low33.1Very low155 Ų155135.3 Ų135.381%0.81277%0.772SS**  trans-67.5-162.6153.5-123.576.4000110.8
726P44.5Very low33.5Very low103 Ų103135 Ų13567%0.66978%0.779SS**  cis-127.4-165.78.232.9-6.6000112.4
727T31Very low34Very low132 Ų132129.9 Ų129.981%0.8177%0.765SS**  cis-159.1142.220.3-35.90000113.1
728G27.6Very low34.7Very low81 Ų81132.3 Ų132.384%0.83577%0.773SS**  trans90.3138.7154.600000118
729G27.8Very low35.5Very low79 Ų79134.2 Ų134.281%0.81477%0.771SS**  cis167.362.8-6.600000118.1
730G32Very low36.3Very low76 Ų76133 Ų13378%0.78476%0.756SS**  trans77.4172168.200000116.2
731I37.1Very low37.5Very low153 Ų153130.4 Ų130.479%0.78574%0.742SS**  cis-140.8139.72.6-63.4177.8000109.8
732D35.6Very low38.5Very low146 Ų146128 Ų12878%0.78174%0.735SS**  trans24.9119160.5-49.5-20000121.8
733D34.6Very low39.8Very low167 Ų167124.1 Ų124.189%0.89373%0.726SS**  trans-126.881160.1-150.4-18000110.2
734A41.2Very low41.2Very low93 Ų93120.7 Ų120.777%0.76972%0.715SS**  trans-109.346.2-157.200000115.1
735N38.4Very low42.6Very low151 Ų151116.5 Ų116.581%0.80770%0.696SS**  trans-152.446167.6-150.34.8000115.8
736S36.9Very low44.1Very low107 Ų107111.8 Ų111.875%0.74867%0.674SS**  trans-73126.3167.755.10000110.7K738S736-K738 PolarHBondContact O-N 3.42Å
737P40.5Very low44.9Very low84 Ų84113.1 Ų113.155%0.54567%0.669SS.*  trans-67.7137.4177.126.4-32.6000110.2Y739 F740P737-Y739 PolarHBondContact O-N 3.07Å; P737-F740 HydrophobicContact CG-CD2 4.04Å; P737-F740 HydrophobicContact CG-CE2 3.94Å
738K48.5Very low46.4Very low217 Ų217112 Ų11294%0.94365%0.654SS**THydrogen-bonded Turntrans-69.236.1-168.1-158176.1-177.7173.80115.3S736S736-K738 PolarHBondContact O-N 3.42Å
739Y48.3Very low48.3Very low191 Ų191115.2 Ų115.275%0.74965%0.648SS**THydrogen-bonded Turntrans-137-0.3-171.4-138.5-86.9000114P737P737-Y739 PolarHBondContact O-N 3.07Å
740F49Very low49.9Very low89 Ų89117.4 Ų117.439%0.3964%0.637SS.*SBendtrans-103135.3168-65.5-83.5000109.1P737 T763P737-F740 HydrophobicContact CG-CD2 4.04Å; P737-F740 HydrophobicContact CG-CE2 3.94Å; F740-T763 WeakPolarHBondContact CE1-OG1 3.16Å; F740-T763 HydrophobicContact CZ-CG2 4.15Å; F740-T763 WeakPolarHBondContact CZ-OG1 3.26Å
741P54.9Low51.2Low68 Ų68121.3 Ų121.344%0.44264%0.639SS.*PPolyproline II helixtrans-61.9142.5165.528.4-33000108.8Y761P741-Y761 HydrophobicContact CB-CE2 4.42Å; P741-Y761 HydrophobicContact CG-CD2 4.11Å; P741-Y761 HydrophobicContact CG-CE1 4.29Å; P741-Y761 HydrophobicContact CG-CE2 3.65Å
742P55.7Low52.8Low111 Ų111117 Ų11772%0.72163%0.633SS**PPolyproline II helixtrans-61.415317528.1-35000110.3T744P742-T744 PolarHBondContact O-N 3.04Å
743E57.6Low54Low123 Ų123119 Ų11958%0.57563%0.629SS**  trans-59.1108.3-178.8-62.2-164.2127.200111.1T745 C760E743-T745 PolarHBondContact O-N 2.8Å; E743-T745 VanDerWaalsContact O-N 3.07Å; E743-C760 PolarHBondContact OE1-SG 2.88Å
744T58.7Low55.7Low64 Ų64115.8 Ų115.839%0.39362%0.616SS.*EExtended strand (participates in β ladder)trans-79.3100.4-178.546.30000109.5P742 T759P742-T744 PolarHBondContact O-N 3.04Å; T744-T759 PolarHBondContact O-N 3.35Å; T744-T759 PolarHBondContact O-OG1 3.43Å; T744-T759 WeakPolarHBondContact OG1-CB 3.43Å; T744-T759 PolarHBondContact OG1-OG1 2.94Å
745T60.4Low57.1Low57 Ų57113.4 Ų113.435%0.3559%0.591SS.*EExtended strand (participates in β ladder)trans-80.6121.4160.6-67.20000108.7E743 F747 K756 K757E743-T745 PolarHBondContact O-N 2.8Å; E743-T745 VanDerWaalsContact O-N 3.07Å; T745-F747 HydrophobicContact CG2-CD2 4.08Å; T745-F747 HydrophobicContact CG2-CE2 3.54Å; T745-F747 HydrophobicContact CG2-CZ 3.86Å; T745-K756 HydrophobicContact CG2-CD 4.19Å; T745-K756 HydrophobicContact CG2-CG 3.76Å; T745-K757 CarbonylContact C-O 3.5Å; T745-K757 VanDerWaalsContact CA-O 3.29Å; T745-K757 WeakPolarHBondContact CA-O 3.49Å
746T65.9Low59Low56 Ų56110.6 Ų110.634%0.34457%0.572SS.*EExtended strand (participates in β ladder)trans-116.8141.9164.764.70000110.1H748 K757T746-H748 WeakPolarHBondContact CB-NE2 3.33Å; T746-H748 PolarHBondContact OG1-CD2 2.87Å; T746-H748 VanDerWaalsContact OG1-CD2 3.3Å; T746-H748 PolarHBondContact OG1-NE2 2.84Å; T746-K757 PolarHBondContact N-O 2.8Å; T746-K757 PolarHBondContact O-N 3.25Å
747F61.2Low60.7Low130 Ų130110.1 Ų110.157%0.5756%0.556SS**EExtended strand (participates in β ladder)trans-105.3128.2172.9-62.7-93.6000107.6T745 V754 K756T745-F747 HydrophobicContact CG2-CD2 4.08Å; T745-F747 HydrophobicContact CG2-CE2 3.54Å; T745-F747 HydrophobicContact CG2-CZ 3.86Å; F747-V754 HydrophobicContact CB-CG1 4.18Å; F747-V754 HydrophobicContact CD1-CG1 3.91Å; F747-K756 HydrophobicContact CD1-CB 3.89Å; F747-K756 HydrophobicContact CD1-CG 3.96Å; F747-K756 HydrophobicContact CE1-CB 3.79Å; F747-K756 HydrophobicContact CE1-CD 3.79Å; F747-K756 HydrophobicContact CE1-CG 3.54Å; F747-K756 HydrophobicContact CZ-CD 4.02Å; F747-K756 HydrophobicContact CZ-CG 3.97Å
748H63.3Low62.3Low108 Ų108108.6 Ų108.650%0.554%0.543SS..EExtended strand (participates in β ladder)trans-126.9137.4174.6-62.7-83.2000108.3T746 V755T746-H748 WeakPolarHBondContact CB-NE2 3.33Å; T746-H748 PolarHBondContact OG1-CD2 2.87Å; T746-H748 VanDerWaalsContact OG1-CD2 3.3Å; T746-H748 PolarHBondContact OG1-NE2 2.84Å; H748-V755 PolarHBondContact N-O 3.49Å; H748-V755 PolarHBondContact O-N 3.32Å
749E66.8Low63.5Low149 Ų14999.9 Ų99.970%0.69651%0.508SS*.EExtended strand (participates in β ladder)trans-93.5119.2173.4-166.7172.6171.400109R753E749-R753 WeakPolarHBondContact CA-O 3.14Å
750E61Low63.8Low126 Ų12693.8 Ų93.859%0.58949%0.493SS*.EExtended strand (participates in β ladder)trans-132.7125.3-176.3-171.3172.8-153.600107.4G752 R753 V755E750-G752 VanDerWaalsContact C-N 3.26Å; E750-G752 PolarHBondContact O-N 2.75Å; E750-R753 PolarHBondContact N-O 3.02Å; E750-R753 PolarHBondContact O-N 3.39Å; E750-V755 HydrophobicContact CB-CG2 4.26Å
751D60.6Low64.4Low157 Ų15794 Ų9484%0.8449%0.491SS*.THydrogen-bonded Turntrans45.943-173.9-65.7-17.7000114.9R753D751-R753 VanDerWaalsContact C-N 3.26Å; D751-R753 PolarHBondContact O-N 2.83Å
752G69.8Low64.8Low62 Ų6297.9 Ų97.964%0.63950%0.504SS*.THydrogen-bonded Turntrans6921.1-179.900000114.1E750E750-G752 VanDerWaalsContact C-N 3.26Å; E750-G752 PolarHBondContact O-N 2.75Å
753R60.6Low64.7Low189 Ų18996 Ų9671%0.71349%0.49SS*.EExtended strand (participates in β ladder)trans-124.5130.5175.4-59.8179.4-174.1144.94.4110.1E749 E750 D751 V755E749-R753 WeakPolarHBondContact CA-O 3.14Å; E750-R753 PolarHBondContact N-O 3.02Å; E750-R753 PolarHBondContact O-N 3.39Å; D751-R753 VanDerWaalsContact C-N 3.26Å; D751-R753 PolarHBondContact O-N 2.83Å; R753-V755 PolarHBondContact O-N 2.88Å
754V70.6Confident64.3Low100 Ų10099.7 Ų99.761%0.60650%0.499SS*.EExtended strand (participates in β ladder)trans-77.5103.2174.6-177.40000109.6F747F747-V754 HydrophobicContact CB-CG1 4.18Å; F747-V754 HydrophobicContact CD1-CG1 3.91Å
755V70.8Confident63.9Low42 Ų42104.1 Ų104.126%0.25552%0.515SS..EExtended strand (participates in β ladder)trans-86.6113.9175.3-177.30000109.3H748 E750 R753 K757H748-V755 PolarHBondContact N-O 3.49Å; H748-V755 PolarHBondContact O-N 3.32Å; E750-V755 HydrophobicContact CB-CG2 4.26Å; R753-V755 PolarHBondContact O-N 2.88Å; V755-K757 PolarHBondContact O-N 3.49Å
756K76.8Confident63.3Low93 Ų93107.5 Ų107.540%0.40454%0.535SS..EExtended strand (participates in β ladder)trans-85.1103.5171.7-173.4-173.4-175.1-169.50109.9T745 F747 I758T745-K756 HydrophobicContact CG2-CD 4.19Å; T745-K756 HydrophobicContact CG2-CG 3.76Å; F747-K756 HydrophobicContact CD1-CB 3.89Å; F747-K756 HydrophobicContact CD1-CG 3.96Å; F747-K756 HydrophobicContact CE1-CB 3.79Å; F747-K756 HydrophobicContact CE1-CD 3.79Å; F747-K756 HydrophobicContact CE1-CG 3.54Å; F747-K756 HydrophobicContact CZ-CD 4.02Å; F747-K756 HydrophobicContact CZ-CG 3.97Å; K756-I758 HydrophobicContact CD-CD1 4.09Å; K756-I758 HydrophobicContact CD-CG1 4.24Å; K756-I758 HydrophobicContact CG-CD1 4.49Å; K756-I758 HydrophobicContact CG-CG1 4.11Å
757K74.1Confident63Low97 Ų97109.5 Ų109.542%0.42255%0.547SS..EExtended strand (participates in β ladder)trans-89.1125.6172-174.5176.4-178.4176.30109.3T745 T746 V755T745-K757 CarbonylContact C-O 3.5Å; T745-K757 VanDerWaalsContact CA-O 3.29Å; T745-K757 WeakPolarHBondContact CA-O 3.49Å; T746-K757 PolarHBondContact N-O 2.8Å; T746-K757 PolarHBondContact O-N 3.25Å; V755-K757 PolarHBondContact O-N 3.49Å
758I74.1Confident62.3Low51 Ų51108.1 Ų108.126%0.26255%0.554SS.*EExtended strand (participates in β ladder)trans-116.7129.6177.2-51.8178.5000108.2K756K756-I758 HydrophobicContact CD-CD1 4.09Å; K756-I758 HydrophobicContact CD-CG1 4.24Å; K756-I758 HydrophobicContact CG-CD1 4.49Å; K756-I758 HydrophobicContact CG-CG1 4.11Å
759T73.1Confident61.8Low34 Ų34106.1 Ų106.121%0.20955%0.549CS..EExtended strand (participates in β ladder)trans-106102.7176.5-45.40000110.1T744 Y761T744-T759 PolarHBondContact O-N 3.35Å; T744-T759 PolarHBondContact O-OG1 3.43Å; T744-T759 WeakPolarHBondContact OG1-CB 3.43Å; T744-T759 PolarHBondContact OG1-OG1 2.94Å; T759-Y761 HydrophobicContact CG2-CE1 4.3Å; T759-Y761 HydrophobicContact CG2-CE2 4.13Å
760C55.8Low61.1Low63 Ų63102 Ų10243%0.42654%0.541SS..  trans-93.1148.1176.7-61.10000111.3E743E743-C760 PolarHBondContact OE1-SG 2.88Å
761Y61Low60.7Low94 Ų94103.8 Ų103.837%0.36955%0.546SS..  trans-12395.6-178.6-63.7-79.9000111.8P741 T759P741-Y761 HydrophobicContact CB-CE2 4.42Å; P741-Y761 HydrophobicContact CG-CD2 4.11Å; P741-Y761 HydrophobicContact CG-CE1 4.29Å; P741-Y761 HydrophobicContact CG-CE2 3.65Å; T759-Y761 HydrophobicContact CG2-CE1 4.3Å; T759-Y761 HydrophobicContact CG2-CE2 4.13Å
762E62.3Low59.9Low149 Ų149103.5 Ų103.570%0.69655%0.545SS*.  trans-85.4134.3-179.6-167.9176.5-153.400112.6W764E762-W764 VanDerWaalsContact OE2-CE2 3.31Å; E762-W764 WeakPolarHBondContact OE2-CZ2 3.48Å; E762-W764 PolarHBondContact OE2-NE1 2.84Å
763T53.8Low58.9Low71 Ų71106.7 Ų106.744%0.43655%0.545SS..  trans-10490.1-177.1-58.60000111.9F740 H765F740-T763 WeakPolarHBondContact CE1-OG1 3.16Å; F740-T763 HydrophobicContact CZ-CG2 4.15Å; F740-T763 WeakPolarHBondContact CZ-OG1 3.26Å; T763-H765 PolarHBondContact O-N 2.83Å; T763-H765 PolarHBondContact O-ND1 2.75Å
764W50.1Low58.4Low201 Ų201104.3 Ų104.376%0.76155%0.545SS*.  trans-72119.1177-71.681.8000112.1E762 V766E762-W764 VanDerWaalsContact OE2-CE2 3.31Å; E762-W764 WeakPolarHBondContact OE2-CZ2 3.48Å; E762-W764 PolarHBondContact OE2-NE1 2.84Å; W764-V766 PolarHBondContact O-N 2.78Å
765H50Low57.2Low158 Ų158104.7 Ų104.773%0.73155%0.552SS**  trans-91.999.8177.4-70.864000109.8T763 V767T763-H765 PolarHBondContact O-N 2.83Å; T763-H765 PolarHBondContact O-ND1 2.75Å; H765-V767 PolarHBondContact O-N 3.02Å; H765-V767 VanDerWaalsContact O-N 3.07Å
766V47.9Very low55.8Low127 Ų127111.8 Ų111.877%0.7758%0.58SS**  trans-7598.7177.1-177.80000109.6W764 S768W764-V766 PolarHBondContact O-N 2.78Å; V766-S768 PolarHBondContact O-N 2.88Å; V766-S768 VanDerWaalsContact O-N 3.1Å
767V59.1Low54.3Low98 Ų98114 Ų11459%0.59459%0.593SS**  trans-73.298.4168.3-178.70000108H765 T769H765-V767 PolarHBondContact O-N 3.02Å; H765-V767 VanDerWaalsContact O-N 3.07Å; V767-T769 VanDerWaalsContact C-N 3.31Å; V767-T769 HydrophobicContact CG1-CG2 4.47Å; V767-T769 PolarHBondContact O-N 3.46Å
768S46.3Very low52.7Low102 Ų102114.6 Ų114.671%0.71362%0.616SS**  trans-6787.6175.1-63.10000110.7V766 A770V766-S768 PolarHBondContact O-N 2.88Å; V766-S768 VanDerWaalsContact O-N 3.1Å; S768-A770 PolarHBondContact O-N 3.32Å
769T54Low51.4Low65 Ų65121.9 Ų121.940%0.39964%0.64SS.*  trans-62.8104.8172.452.10000108.1V767 K771 I917V767-T769 VanDerWaalsContact C-N 3.31Å; V767-T769 HydrophobicContact CG1-CG2 4.47Å; V767-T769 PolarHBondContact O-N 3.46Å; T769-K771 PolarHBondContact O-N 3.1Å; T769-I917 HydrophobicContact CG2-CG2 3.48Å; T769-I917 VanDerWaalsContact CG2-CG2 3.48Å
770A51.8Low50.5Low63 Ų63126.8 Ų126.852%0.52166%0.661SS.*  trans-79.556.6-159.100000114S768 D772 M773S768-A770 PolarHBondContact O-N 3.32Å; A770-D772 PolarHBondContact O-N 3.07Å; A770-M773 HydrophobicContact CB-CB 3.9Å; A770-M773 HydrophobicContact CB-CG 4.04Å; A770-M773 PolarHBondContact O-N 3.4Å
771K51.4Low50.5Low163 Ų163127.4 Ų127.471%0.70966%0.658SS**G310 helixtrans-57.4-28.5177.9-159170.3-175.7175.60112.2T769 L774T769-K771 PolarHBondContact O-N 3.1Å; K771-L774 WeakPolarHBondContact O-CB 3.25Å
772D45.4Very low50.8Low152 Ų152131 Ų13181%0.81367%0.671SS**G310 helixtrans-86-8176.9-53.5-51.1000114.4A770A770-D772 PolarHBondContact O-N 3.07Å
773M48.1Very low52Low128 Ų128125.3 Ų125.363%0.63165%0.646SS**G310 helixtrans-911.2173.4-74.1-73.1157.700113.6A770 S775 K776A770-M773 HydrophobicContact CB-CB 3.9Å; A770-M773 HydrophobicContact CB-CG 4.04Å; A770-M773 PolarHBondContact O-N 3.4Å; M773-S775 PolarHBondContact O-N 2.88Å; M773-K776 PolarHBondContact O-N 3.12Å
774L49.2Very low53.7Low139 Ų139124 Ų12473%0.72864%0.639SS**THydrogen-bonded Turntrans-55.6-20.1-175-166.166.7000114.2K771K771-L774 WeakPolarHBondContact O-CB 3.25Å
775S45.9Very low55.7Low108 Ų108114.9 Ų114.976%0.75561%0.606SS**THydrogen-bonded Turntrans-91.9-5.8-175.959.40000115.8M773M773-S775 PolarHBondContact O-N 2.88Å
776K41.7Very low57.7Low192 Ų192114.5 Ų114.584%0.83560%0.604SS**THydrogen-bonded Turntrans-131.7-14.4-177.4-76.2-177.2-179.7169.50116.7M773M773-K776 PolarHBondContact O-N 3.12Å
777M44.2Very low59.7Low139 Ų139109.4 Ų109.469%0.68557%0.572SS**  trans-121.452.4-178.7-161.1139.4172.100113.2R779M777-R779 HydrophobicContact CG-CB 4.22Å; M777-R779 PolarHBondContact O-N 2.81Å
778A40.8Very low61.3Low109 Ų109107 Ų10790%0.90156%0.563SS**  trans-68.734163.900000113
779R46.7Very low63.5Low204 Ų204103.7 Ų103.777%0.7754%0.537SS*.SBendtrans-97.1104.2174.2-165.9-179.3-156.7-174.35.5105.5M777 Q781M777-R779 HydrophobicContact CG-CB 4.22Å; M777-R779 PolarHBondContact O-N 2.81Å; R779-Q781 PolarHBondContact O-N 3.23Å; R779-Q781 VanDerWaalsContact O-N 3.12Å
780Q54.6Low65.3Low137 Ų137101.1 Ų101.164%0.6452%0.521SS*.  trans-31116.3-179.4-67.4171.6-33.300111.3R782Q780-R782 HydrophobicContact CB-CG 4.18Å; Q780-R782 WeakPolarHBondContact O-CG 3.45Å; Q780-R782 PolarHBondContact O-N 3.31Å; Q780-R782 VanDerWaalsContact O-N 3.12Å; Q780-R782 VanDerWaalsContact OE1-NE 3.17Å
781Q56.5Low67.3Low77 Ų77103.9 Ų103.936%0.3652%0.521SS..  trans-65113.9172.9-163.2170.215.800106.9R779 T783 E893R779-Q781 PolarHBondContact O-N 3.23Å; R779-Q781 VanDerWaalsContact O-N 3.12Å; Q781-T783 PolarHBondContact O-N 2.78Å; Q781-E893 HydrophobicContact CG-CG 4.13Å; Q781-E893 WeakPolarHBondContact CG-OE1 3.46Å; Q781-E893 WeakPolarHBondContact CG-OE2 3.35Å; Q781-E893 PolarHBondContact NE2-OE2 3.28Å
782R67.8Low69.4Low170 Ų17096.1 Ų96.164%0.64249%0.488SS*.  trans-108.179.6-163.8-88.7-179.2-175.9-161.52.3108.9Q780 C784 E893Q780-R782 HydrophobicContact CB-CG 4.18Å; Q780-R782 WeakPolarHBondContact O-CG 3.45Å; Q780-R782 PolarHBondContact O-N 3.31Å; Q780-R782 VanDerWaalsContact O-N 3.12Å; Q780-R782 VanDerWaalsContact OE1-NE 3.17Å; R782-C784 WeakPolarHBondContact O-CB 3.48Å; R782-C784 PolarHBondContact O-N 3.37Å; R782-C784 VanDerWaalsContact O-N 3.07Å; R782-E893 PolarHBondContact N-OE1 2.97Å
783T86.8Confident71.7Confident28 Ų2889.1 Ų89.117%0.17245%0.451CS..  trans-38.7113.2166.849.30000110.5Q781 C876 F877 E893Q781-T783 PolarHBondContact O-N 2.78Å; T783-C876 WeakPolarHBondContact O-CA 3.39Å; T783-C876 VanDerWaalsContact O-CB 3.22Å; T783-C876 WeakPolarHBondContact O-CB 3.26Å; T783-C876 PolarHBondContact O-SG 2.92Å; T783-F877 VanDerWaalsContact CB-O 3.27Å; T783-F877 WeakPolarHBondContact CB-O 3.24Å; T783-F877 HydrophobicContact CG2-CD1 4.49Å; T783-F877 HydrophobicContact CG2-CD2 4.25Å; T783-F877 HydrophobicContact CG2-CE1 3.92Å; T783-F877 HydrophobicContact CG2-CE2 3.64Å; T783-F877 HydrophobicContact CG2-CZ 3.45Å; T783-F877 VanDerWaalsContact CG2-CZ 3.45Å; T783-F877 PolarHBondContact OG1-O 2.99Å; T783-E893 CarbonylContact C-O 3.58Å; T783-E893 WeakPolarHBondContact CA-O 3.19Å
784C89.1Confident73.9Confident44 Ų4484.3 Ų84.330%0.29743%0.428SS..EExtended strand (participates in β ladder)trans-123.1143.6-169.3700000111.4R782 K875 E893 T894 V895R782-C784 WeakPolarHBondContact O-CB 3.48Å; R782-C784 PolarHBondContact O-N 3.37Å; R782-C784 VanDerWaalsContact O-N 3.07Å; C784-K875 WeakPolarHBondContact CA-O 3.36Å; C784-E893 PolarHBondContact N-O 3.45Å; C784-E893 PolarHBondContact SG-O 2.84Å; C784-T894 PolarHBondContact SG-OG1 3.01Å; C784-T894 VanDerWaalsContact SG-OG1 3.33Å; C784-V895 PolarHBondContact O-N 2.79Å
785L92.6Very high76.1Confident10 Ų1079.6 Ų79.65%0.05240%0.404CS..EExtended strand (participates in β ladder)trans-11997.1-177.2179.168.8000107.7L787 L789 L792 F872 K875 V895L785-L787 HydrophobicContact CD1-CB 3.91Å; L785-L787 WeakPolarHBondContact CG-O 3.42Å; L785-L789 HydrophobicContact CD2-CD1 3.9Å; L785-L792 HydrophobicContact CD1-CD2 4.31Å; L785-L792 HydrophobicContact CD2-CD2 4.45Å; L785-F872 HydrophobicContact CD1-CD1 3.76Å; L785-F872 HydrophobicContact CD1-CE1 4.16Å; L785-F872 HydrophobicContact CD2-CB 3.93Å; L785-F872 HydrophobicContact CD2-CD1 4Å; L785-F872 HydrophobicContact CD2-CG 4.42Å; L785-F872 HydrophobicContact CG-CD1 4.4Å; L785-K875 PolarHBondContact N-O 3.03Å; L785-V895 HydrophobicContact CD1-CB 3.91Å; L785-V895 HydrophobicContact CD1-CG1 3.58Å
786E91.9Very high78.4Confident149 Ų14974.6 Ų74.670%0.69637%0.37SS*.  trans-78.6-30.8173.7-176.8170.8-166.500110.8A788 T894 V895 A896E786-A788 PolarHBondContact O-N 2.77Å; E786-A788 VanDerWaalsContact O-N 3.1Å; E786-T894 HydrophobicContact CB-CG2 4.41Å; E786-V895 PolarHBondContact N-O 3.06Å; E786-A896 HydrophobicContact CB-CB 4.18Å
787L90.8Very high80.7Confident20 Ų2070.1 Ų70.111%0.10536%0.362CS..SBendtrans-60113.6172.9-179.458.7000110.9L785 L789 K791 L792 V895 I898L785-L787 HydrophobicContact CD1-CB 3.91Å; L785-L787 WeakPolarHBondContact CG-O 3.42Å; L787-L789 PolarHBondContact O-N 2.84Å; L787-K791 HydrophobicContact CD1-CB 4.07Å; L787-L792 HydrophobicContact CD2-CB 3.91Å; L787-L792 HydrophobicContact CD2-CD1 4.06Å; L787-L792 HydrophobicContact CD2-CG 4.4Å; L787-L792 HydrophobicContact CG-CB 4.18Å; L787-V895 PolarHBondContact N-O 3.49Å; L787-I898 HydrophobicContact CD2-CG1 4.35Å
788A91.4Very high83Confident48 Ų4873.7 Ų73.740%0.39737%0.368SS..  trans-52.4124.4179.300000111.5E786 V790 K791 L792E786-A788 PolarHBondContact O-N 2.77Å; E786-A788 VanDerWaalsContact O-N 3.1Å; A788-V790 PolarHBondContact O-N 3.05Å; A788-K791 HydrophobicContact CB-CD 4.32Å; A788-K791 HydrophobicContact CB-CG 4.22Å; A788-K791 WeakPolarHBondContact O-CA 3.2Å; A788-K791 WeakPolarHBondContact O-CB 3.25Å; A788-K791 PolarHBondContact O-N 2.88Å; A788-L792 PolarHBondContact O-N 3.25Å; A788-L792 VanDerWaalsContact O-N 3.16Å
789L93.1Very high85.6Confident33 Ų3369 Ų6917%0.17333%0.328CS..Hα-helixtrans-58.4-28.7-167.7-169.760.6000113.7L785 L787 L792 A793 V850 F872L785-L789 HydrophobicContact CD2-CD1 3.9Å; L787-L789 PolarHBondContact O-N 2.84Å; L789-L792 HydrophobicContact CD1-CD2 4.32Å; L789-L792 PolarHBondContact O-N 3.4Å; L789-A793 VanDerWaalsContact O-CB 3.27Å; L789-A793 WeakPolarHBondContact O-CB 3.31Å; L789-A793 PolarHBondContact O-N 2.96Å; L789-V850 HydrophobicContact CD1-CB 4.26Å; L789-V850 HydrophobicContact CD1-CG2 3.74Å; L789-V850 HydrophobicContact CG-CG2 4.35Å; L789-F872 HydrophobicContact CD1-CB 3.93Å
790V92.4Very high87.8Confident11 Ų1167 Ų677%0.06733%0.325CS..Hα-helixtrans-72.5-33.9173.464.80000113.7A788 A793 N794 T826 F828 P847A788-V790 PolarHBondContact O-N 3.05Å; V790-A793 PolarHBondContact O-N 3.36Å; V790-N794 WeakPolarHBondContact O-CB 3.42Å; V790-N794 PolarHBondContact O-N 3.14Å; V790-N794 PolarHBondContact O-OD1 2.85Å; V790-T826 HydrophobicContact CG1-CG2 4.12Å; V790-T826 HydrophobicContact CG2-CG2 4.25Å; V790-F828 HydrophobicContact CG2-CB 4.47Å; V790-P847 HydrophobicContact CB-CG 3.77Å; V790-P847 HydrophobicContact CG2-CG 4.07Å
791K93.3Very high89.7Confident121 Ų12162.8 Ų62.853%0.52631%0.308SS..Hα-helixtrans-64.6-44.9170.4-65.8-174.9177.5-176.40110.4L787 A788 N794 V795L787-K791 HydrophobicContact CD1-CB 4.07Å; A788-K791 HydrophobicContact CB-CD 4.32Å; A788-K791 HydrophobicContact CB-CG 4.22Å; A788-K791 WeakPolarHBondContact O-CA 3.2Å; A788-K791 WeakPolarHBondContact O-CB 3.25Å; A788-K791 PolarHBondContact O-N 2.88Å; K791-N794 PolarHBondContact O-N 3.02Å; K791-V795 WeakPolarHBondContact O-CG2 3.3Å; K791-V795 PolarHBondContact O-N 3.3Å
792L94.8Very high91.5Very high0 Ų061.2 Ų61.20%031%0.305CS..Hα-helixtrans-61.2-45.2175.2179.454.9000111.8L785 L787 A788 L789 N794 V795 A796 I799 V850 F872 V901L785-L792 HydrophobicContact CD1-CD2 4.31Å; L785-L792 HydrophobicContact CD2-CD2 4.45Å; L787-L792 HydrophobicContact CD2-CB 3.91Å; L787-L792 HydrophobicContact CD2-CD1 4.06Å; L787-L792 HydrophobicContact CD2-CG 4.4Å; L787-L792 HydrophobicContact CG-CB 4.18Å; A788-L792 PolarHBondContact O-N 3.25Å; A788-L792 VanDerWaalsContact O-N 3.16Å; L789-L792 HydrophobicContact CD1-CD2 4.32Å; L789-L792 PolarHBondContact O-N 3.4Å; L792-N794 PolarHBondContact O-N 2.87Å; L792-V795 WeakPolarHBondContact O-CG2 3.4Å; L792-V795 PolarHBondContact O-N 3.44Å; L792-A796 WeakPolarHBondContact O-CB 3.47Å; L792-A796 PolarHBondContact O-N 2.9Å; L792-I799 HydrophobicContact CD1-CD1 3.63Å; L792-V850 HydrophobicContact CD2-CB 4.35Å; L792-V850 HydrophobicContact CG-CB 4.37Å; L792-V850 HydrophobicContact CG-CG1 4.34Å; L792-V850 HydrophobicContact CG-CG2 4.25Å; L792-F872 HydrophobicContact CD2-CB 3.8Å; L792-F872 HydrophobicContact CD2-CD1 3.91Å; L792-F872 HydrophobicContact CD2-CD2 3.78Å; L792-F872 HydrophobicContact CD2-CE1 4.44Å; L792-F872 HydrophobicContact CD2-CE2 4.31Å; L792-F872 HydrophobicContact CD2-CG 3.54Å; L792-V901 HydrophobicContact CD1-CG1 4.48Å; L792-V901 HydrophobicContact CD1-CG2 4.01Å
793A94.6Very high92.5Very high4 Ų455 Ų553%0.03329%0.287CS..Hα-helixtrans-60.2-43.2178.700000113L789 V790 V795 A796 V810 F828 P847 V850L789-A793 VanDerWaalsContact O-CB 3.27Å; L789-A793 WeakPolarHBondContact O-CB 3.31Å; L789-A793 PolarHBondContact O-N 2.96Å; V790-A793 PolarHBondContact O-N 3.36Å; A793-V795 VanDerWaalsContact C-N 3.25Å; A793-V795 PolarHBondContact O-N 2.82Å; A793-A796 WeakPolarHBondContact O-CB 3.29Å; A793-A796 PolarHBondContact O-N 3.39Å; A793-V810 HydrophobicContact CB-CG1 3.68Å; A793-V810 HydrophobicContact CB-CG2 3.99Å; A793-F828 HydrophobicContact CB-CD2 3.85Å; A793-F828 HydrophobicContact CB-CE2 3.9Å; A793-P847 HydrophobicContact CB-CB 3.77Å; A793-P847 HydrophobicContact CB-CG 3.66Å; A793-V850 HydrophobicContact CB-CG2 3.81Å
794N94Very high92.7Very high28 Ų2857.7 Ų57.715%0.1532%0.321CS..Hα-helixtrans-68.4-23-178.4-68.5-0.4000113.3V790 K791 L792 I827 F828 T829V790-N794 WeakPolarHBondContact O-CB 3.42Å; V790-N794 PolarHBondContact O-N 3.14Å; V790-N794 PolarHBondContact O-OD1 2.85Å; K791-N794 PolarHBondContact O-N 3.02Å; L792-N794 PolarHBondContact O-N 2.87Å; N794-I827 PolarHBondContact ND2-O 2.81Å; N794-F828 VanDerWaalsContact OD1-CA 3.28Å; N794-F828 WeakPolarHBondContact OD1-CA 3.22Å; N794-F828 WeakPolarHBondContact OD1-CD2 3.47Å; N794-T829 WeakPolarHBondContact CB-OG1 3.27Å; N794-T829 VanDerWaalsContact CG-OG1 3.24Å; N794-T829 PolarHBondContact ND2-OG1 3.16Å; N794-T829 PolarHBondContact OD1-N 2.85Å
795V94.3Very high92.9Very high39 Ų3960.1 Ų60.124%0.23633%0.326CS..Hα-helixtrans-102.7-6.3176.2-54.90000113.7K791 L792 A793 S797 R798 I799 I898K791-V795 WeakPolarHBondContact O-CG2 3.3Å; K791-V795 PolarHBondContact O-N 3.3Å; L792-V795 WeakPolarHBondContact O-CG2 3.4Å; L792-V795 PolarHBondContact O-N 3.44Å; A793-V795 VanDerWaalsContact C-N 3.25Å; A793-V795 PolarHBondContact O-N 2.82Å; V795-S797 VanDerWaalsContact C-N 3.26Å; V795-S797 PolarHBondContact O-N 2.89Å; V795-S797 VanDerWaalsContact O-N 3.11Å; V795-R798 WeakPolarHBondContact O-CA 3.39Å; V795-R798 WeakPolarHBondContact O-CB 3.2Å; V795-R798 PolarHBondContact O-N 2.68Å; V795-I799 HydrophobicContact CG2-CD1 4.19Å; V795-I799 HydrophobicContact CG2-CG1 4.19Å; V795-I799 PolarHBondContact O-N 3.45Å; V795-I898 HydrophobicContact CB-CD1 4.35Å; V795-I898 HydrophobicContact CG1-CD1 4.11Å; V795-I898 HydrophobicContact CG2-CD1 3.87Å; V795-I898 HydrophobicContact CG2-CG1 4.07Å; V795-I898 HydrophobicContact CG2-CG2 4.42Å
796A94.4Very high93Very high3 Ų360.3 Ų60.33%0.02533%0.326CS..G310 helixtrans-57.2-33.6-167.300000114.4L792 A793 R798 V810 V850 F852L792-A796 WeakPolarHBondContact O-CB 3.47Å; L792-A796 PolarHBondContact O-N 2.9Å; A793-A796 WeakPolarHBondContact O-CB 3.29Å; A793-A796 PolarHBondContact O-N 3.39Å; A796-R798 VanDerWaalsContact C-N 3.29Å; A796-R798 PolarHBondContact O-N 3.42Å; A796-V810 HydrophobicContact CB-CG2 4.08Å; A796-V850 HydrophobicContact CB-CG1 3.86Å; A796-F852 HydrophobicContact CB-CZ 4.01Å
797S91.6Very high93.1Very high98 Ų9855.8 Ų55.869%0.68531%0.309SS*.G310 helixtrans-78.4-7.6175.754.70000114.6V795V795-S797 VanDerWaalsContact C-N 3.26Å; V795-S797 PolarHBondContact O-N 2.89Å; V795-S797 VanDerWaalsContact O-N 3.11Å
798R92.2Very high93.3Very high215 Ų21557.1 Ų57.181%0.81132%0.32SS*.G310 helixtrans-111.5-5.5-179.4-50.7-173.9-171.3-1531.4113.2V795 A796V795-R798 WeakPolarHBondContact O-CA 3.39Å; V795-R798 WeakPolarHBondContact O-CB 3.2Å; V795-R798 PolarHBondContact O-N 2.68Å; A796-R798 VanDerWaalsContact C-N 3.29Å; A796-R798 PolarHBondContact O-N 3.42Å
799I94.6Very high93.4Very high11 Ų1159.5 Ų59.56%0.05632%0.321CS..SBendtrans-66.6133.5176.1-66.6-163000109.3L792 V795 V801 F852 I898 V901 E902 L905L792-I799 HydrophobicContact CD1-CD1 3.63Å; V795-I799 HydrophobicContact CG2-CD1 4.19Å; V795-I799 HydrophobicContact CG2-CG1 4.19Å; V795-I799 PolarHBondContact O-N 3.45Å; I799-V801 PolarHBondContact O-N 2.92Å; I799-F852 HydrophobicContact CB-CE1 4.41Å; I799-F852 HydrophobicContact CD1-CZ 3.93Å; I799-I898 HydrophobicContact CD1-CG2 3.87Å; I799-I898 HydrophobicContact CG1-CG2 3.86Å; I799-V901 HydrophobicContact CD1-CB 4.17Å; I799-V901 HydrophobicContact CD1-CG1 3.78Å; I799-V901 HydrophobicContact CG2-CG1 4.31Å; I799-E902 HydrophobicContact CG2-CG 3.6Å; I799-L905 HydrophobicContact CG2-CD1 4.09Å
800K93.6Very high93.5Very high162 Ų16258.8 Ų58.870%0.70432%0.319SS*.  trans-70.6102.4176.9-172.8-176.8177.1-175.50110.1E902K800-E902 HydrophobicContact CB-CG 4.34Å; K800-E902 WeakPolarHBondContact CB-OE1 3.32Å; K800-E902 PolarHBondContact N-OE1 3.03Å
801V94.4Very high93.6Very high47 Ų4760.7 Ų60.729%0.28533%0.33SS..  trans-78.2151173.5-64.50000111.8I799 S803 W806 F852 L905I799-V801 PolarHBondContact O-N 2.92Å; V801-S803 VanDerWaalsContact C-N 3.34Å; V801-S803 PolarHBondContact O-N 3.4Å; V801-W806 HydrophobicContact CB-CB 3.74Å; V801-W806 HydrophobicContact CB-CG 4.2Å; V801-W806 HydrophobicContact CG1-CB 3.89Å; V801-W806 HydrophobicContact CG2-CB 4.06Å; V801-F852 HydrophobicContact CG1-CD1 4.45Å; V801-L905 HydrophobicContact CG1-CD1 4.39Å
802P92.8Very high93.6Very high45 Ų4555.8 Ų55.829%0.29231%0.309SS..SBendtrans-65-32.2-177.7-24.935.6000114.5L905 D906 D909P802-L905 HydrophobicContact CG-CB 4.04Å; P802-D906 HydrophobicContact CG-CB 4.21Å; P802-D909 HydrophobicContact CB-CB 3.86Å; P802-D909 HydrophobicContact CG-CB 3.94Å
803S90.8Very high93.5Very high38 Ų3861.3 Ų61.327%0.26633%0.331SS..SBendtrans-150.5154.5179.566.30000111.9V801 K805 W806V801-S803 VanDerWaalsContact C-N 3.34Å; V801-S803 PolarHBondContact O-N 3.4Å; S803-K805 PolarHBondContact O-N 3.25Å; S803-W806 WeakPolarHBondContact O-CB 3.2Å; S803-W806 PolarHBondContact O-N 3.49Å
804G90.4Very high93.4Very high85 Ų8567 Ų6788%0.87636%0.355SS*.THydrogen-bonded Turntrans-64.7-0.7177.800000115.4W806G804-W806 VanDerWaalsContact C-N 3.3Å
805K92.4Very high93.1Very high95 Ų9566.3 Ų66.341%0.41335%0.352SS..THydrogen-bonded Turntrans-78.7-14.9170-61.4-176.4-177.3-178.90112.3S803 R854 V855 V857S803-K805 PolarHBondContact O-N 3.25Å; K805-R854 HydrophobicContact CB-CG 3.74Å; K805-R854 WeakPolarHBondContact O-CA 3.47Å; K805-V855 PolarHBondContact O-N 3.16Å; K805-V857 HydrophobicContact CD-CG2 4.13Å
806W95.6Very high92.6Very high14 Ų1468 Ų685%0.05337%0.366CS..EExtended strand (participates in β ladder)trans-80.3138.5176.2-73.987.7000112.1V801 S803 G804 F852 R853 R854 R868 V870 L905 V908 D909V801-W806 HydrophobicContact CB-CB 3.74Å; V801-W806 HydrophobicContact CB-CG 4.2Å; V801-W806 HydrophobicContact CG1-CB 3.89Å; V801-W806 HydrophobicContact CG2-CB 4.06Å; S803-W806 WeakPolarHBondContact O-CB 3.2Å; S803-W806 PolarHBondContact O-N 3.49Å; G804-W806 VanDerWaalsContact C-N 3.3Å; W806-F852 HydrophobicContact CE3-CB 3.98Å; W806-F852 HydrophobicContact CZ3-CB 3.97Å; W806-R853 CarbonylContact C-O 3.54Å; W806-R853 WeakPolarHBondContact CA-O 3Å; W806-R854 HydrophobicContact CD2-CB 3.83Å; W806-R854 HydrophobicContact CD2-CG 4.39Å; W806-R854 HydrophobicContact CE3-CB 4.17Å; W806-R854 HydrophobicContact CG-CB 4.24Å; W806-R854 HydrophobicContact CG-CG 4.37Å; W806-R854 HydrophobicContact CH2-CB 4.43Å; W806-R854 HydrophobicContact CZ2-CB 4.11Å; W806-R854 HydrophobicContact CZ3-CB 4.45Å; W806-R868 HydrophobicContact CH2-CB 3.71Å; W806-R868 HydrophobicContact CZ2-CB 3.97Å; W806-R868 HydrophobicContact CZ3-CB 4.47Å; W806-V870 HydrophobicContact CH2-CG2 4.41Å; W806-L905 HydrophobicContact CE3-CD2 3.97Å; W806-L905 HydrophobicContact CH2-CD2 3.86Å; W806-L905 HydrophobicContact CZ2-CD2 4.48Å; W806-L905 HydrophobicContact CZ3-CD2 3.59Å; W806-V908 HydrophobicContact CH2-CB 4.47Å; W806-V908 HydrophobicContact CH2-CG1 3.92Å; W806-V908 HydrophobicContact CZ2-CG1 4.39Å; W806-D909 HydrophobicContact CZ2-CB 4.2Å; W806-D909 PolarHBondContact NE1-OD1 3.46Å
807T94Very high91.8Very high54 Ų5473.4 Ų73.433%0.33140%0.401SS..EExtended strand (participates in β ladder)trans-127.5141.3171.661.60000110.1F852 R853T807-F852 WeakPolarHBondContact O-CA 3.15Å; T807-R853 PolarHBondContact N-O 3.44Å; T807-R853 PolarHBondContact O-N 3.46Å; T807-R853 WeakPolarHBondContact OG1-CG 3.43Å; T807-R853 PolarHBondContact OG1-NE 3.26Å; T807-R853 PolarHBondContact OG1-O 2.87Å
808S94.9Very high91.1Very high49 Ų4974.4 Ų74.434%0.34341%0.408SS..EExtended strand (participates in β ladder)trans-100.7136.6172.760.80000110.8L851S808-L851 CarbonylContact C-O 3.51Å; S808-L851 WeakPolarHBondContact CA-O 3.36Å
809K93.7Very high90.1Very high97 Ų9770.7 Ų70.742%0.42240%0.401SS..EExtended strand (participates in β ladder)trans-132.8124.3169.5-179169.2-179.81690110.4Y835 L851K809-Y835 WeakPolarHBondContact CE-OH 3.46Å; K809-L851 PolarHBondContact N-O 3.07Å; K809-L851 PolarHBondContact O-N 3.45Å
810V95.1Very high88.8Confident19 Ų1973.2 Ų73.212%0.11541%0.413CS..EExtended strand (participates in β ladder)trans-95.3127.2171-178.50000108.3A793 A796 L812 F828 Y835 P847 V850A793-V810 HydrophobicContact CB-CG1 3.68Å; A793-V810 HydrophobicContact CB-CG2 3.99Å; A796-V810 HydrophobicContact CB-CG2 4.08Å; V810-L812 HydrophobicContact CG1-CD2 3.97Å; V810-F828 HydrophobicContact CB-CE2 4.17Å; V810-F828 HydrophobicContact CB-CZ 4.28Å; V810-F828 HydrophobicContact CG1-CD2 4.34Å; V810-F828 HydrophobicContact CG1-CE2 3.76Å; V810-F828 HydrophobicContact CG1-CZ 4.16Å; V810-F828 HydrophobicContact CG2-CE2 4.19Å; V810-Y835 WeakPolarHBondContact O-CE2 3.19Å; V810-Y835 PolarHBondContact O-OH 3.31Å; V810-P847 HydrophobicContact CG1-CB 3.63Å; V810-V850 HydrophobicContact CG1-CG2 4.41Å; V810-V850 HydrophobicContact CG2-CG1 4.37Å; V810-V850 HydrophobicContact CG2-CG2 4.24Å
811T94.4Very high87Confident51 Ų5168.5 Ų68.531%0.31340%0.399SS..EExtended strand (participates in β ladder)trans-103.8120.2175.3-560000110.7S848 C849T811-S848 PolarHBondContact O-N 2.83Å; T811-S848 PolarHBondContact O-OG 3.33Å; T811-C849 PolarHBondContact N-O 3.09Å; T811-C849 PolarHBondContact O-N 3.12Å
812L93.8Very high85.1Confident17 Ų1777.4 Ų77.49%0.08943%0.428CS..EExtended strand (participates in β ladder)trans-87.9158.4-179.6-54.6-179.5000112.3V810 F828 L832 Y835 I837 Q846 P847V810-L812 HydrophobicContact CG1-CD2 3.97Å; L812-F828 HydrophobicContact CD1-CD1 3.84Å; L812-F828 HydrophobicContact CD1-CE1 3.91Å; L812-F828 HydrophobicContact CD2-CB 4.36Å; L812-F828 HydrophobicContact CD2-CD1 3.75Å; L812-F828 HydrophobicContact CD2-CD2 4.19Å; L812-F828 HydrophobicContact CD2-CE1 4Å; L812-F828 HydrophobicContact CD2-CE2 4.44Å; L812-F828 HydrophobicContact CD2-CG 3.82Å; L812-F828 HydrophobicContact CD2-CZ 4.32Å; L812-F828 HydrophobicContact CG-CD1 4.43Å; L812-F828 HydrophobicContact CG-CE1 4.44Å; L812-L832 HydrophobicContact CD1-CD2 3.39Å; L812-Y835 HydrophobicContact CD1-CD2 4.07Å; L812-Y835 HydrophobicContact CD1-CG 4.42Å; L812-Y835 HydrophobicContact CG-CD2 4.34Å; L812-Y835 HydrophobicContact CG-CE2 4.41Å; L812-I837 HydrophobicContact CD1-CD1 4.03Å; L812-Q846 CarbonylContact C-O 3.53Å; L812-Q846 WeakPolarHBondContact CA-O 3.25Å; L812-P847 HydrophobicContact CD2-CB 4.08Å
813Y91.6Very high83.2Confident116 Ų11684.7 Ų84.746%0.45546%0.458SS..EExtended strand (participates in β ladder)trans-134.6148.7167.775.2-77.1000110V815 Y845 Q846Y813-V815 HydrophobicContact CE2-CG2 3.97Å; Y813-Y845 VanDerWaalsContact O-CA 3.32Å; Y813-Y845 WeakPolarHBondContact O-CA 3.29Å; Y813-Q846 HydrophobicContact CD1-CB 4.26Å; Y813-Q846 WeakPolarHBondContact CD1-O 3.39Å; Y813-Q846 HydrophobicContact CE1-CB 3.54Å; Y813-Q846 PolarHBondContact N-O 3.28Å; Y813-Q846 PolarHBondContact O-N 2.9Å
814K92Very high81.7Confident123 Ų12388.6 Ų88.654%0.53548%0.48SS..EExtended strand (participates in β ladder)trans-75.6125.9175.7-161.9165-166.9148.40109.6D841 K844 Y845K814-D841 IonicContact NZ-OD2 3.03Å; K814-K844 CarbonylContact C-O 3.58Å; K814-K844 WeakPolarHBondContact CA-O 3.29Å; K814-Y845 HydrophobicContact CB-CD1 4Å; K814-Y845 HydrophobicContact CB-CE1 3.61Å; K814-Y845 HydrophobicContact CD-CE1 4.15Å; K814-Y845 HydrophobicContact CG-CD1 4.38Å; K814-Y845 HydrophobicContact CG-CE1 3.86Å; K814-Y845 HydrophobicContact CG-CE2 4.49Å; K814-Y845 PolarHBondContact NZ-OH 2.8Å
815V88.1Confident80.6Confident15 Ų1589.5 Ų89.59%0.09146%0.463CS..PPolyproline II helixtrans-85.9126.8177.6-176.20000108.5Y813 M819 K844 Q846Y813-V815 HydrophobicContact CE2-CG2 3.97Å; V815-M819 HydrophobicContact CG1-CB 3.79Å; V815-K844 PolarHBondContact N-O 2.6Å; V815-Q846 HydrophobicContact CG2-CB 3.73Å; V815-Q846 HydrophobicContact CG2-CG 3.58Å
816S84.1Confident80.1Confident75 Ų7588.1 Ų88.152%0.52446%0.462SS..PPolyproline II helixtrans-58.7140.3173.7-51.90000110.6S818 M819 M820S816-S818 PolarHBondContact O-N 3.08Å; S816-M819 WeakPolarHBondContact O-CA 3.39Å; S816-M819 WeakPolarHBondContact O-CB 3.49Å; S816-M819 PolarHBondContact O-N 2.97Å; S816-M820 PolarHBondContact O-N 3.3Å
817P78.3Confident79.7Confident116 Ų11690.9 Ų90.975%0.75348%0.478SS*.G310 helixtrans-55.1-30.1180-29.636.4000114.7M819 M820P817-M819 PolarHBondContact O-N 3.26Å; P817-M820 PolarHBondContact O-N 2.91Å
818S76.6Confident79.5Confident119 Ų11988.7 Ų88.783%0.83246%0.464SS*.G310 helixtrans-69.5-16.7173.4-173.40000114.7S816S816-S818 PolarHBondContact O-N 3.08Å
819M70.4Confident79.2Confident137 Ų13790.3 Ų90.368%0.67547%0.471SS*.G310 helixtrans-104.76178-70.6-59-55.400112.4V815 S816 P817 P821V815-M819 HydrophobicContact CG1-CB 3.79Å; S816-M819 WeakPolarHBondContact O-CA 3.39Å; S816-M819 WeakPolarHBondContact O-CB 3.49Å; S816-M819 PolarHBondContact O-N 2.97Å; P817-M819 PolarHBondContact O-N 3.26Å; M819-P821 WeakPolarHBondContact O-CD 3.38Å
820M66.8Low78.9Confident64 Ų6486.7 Ų86.732%0.31546%0.462SS..  trans-93.595.4174.2177.9175.3-7100109.1S816 P817 H843 K844S816-M820 PolarHBondContact O-N 3.3Å; P817-M820 PolarHBondContact O-N 2.91Å; M820-H843 VanDerWaalsContact CE-O 3.26Å; M820-H843 WeakPolarHBondContact CE-O 3.2Å; M820-K844 HydrophobicContact CE-CB 4.14Å; M820-K844 HydrophobicContact CE-CG 3.9Å
821P57.3Low78.4Confident62 Ų6290.4 Ų90.440%0.40348%0.481SS..  trans-66.3141.4176.230.2-36.4000109.7M819 Q823 M825M819-P821 WeakPolarHBondContact O-CD 3.38Å; P821-Q823 PolarHBondContact O-N 3.49Å; P821-M825 HydrophobicContact CG-CB 4.47Å; P821-M825 HydrophobicContact CG-CG 3.3Å; P821-M825 HydrophobicContact CG-SD 4.31Å
822R53.6Low78.1Confident234 Ų23488.2 Ų88.288%0.88347%0.467SS*.SBendtrans-63.1119.9178.3-60.4-176.8-178.4-151.2-1.9109.4T824R822-T824 PolarHBondContact O-N 2.97Å
823Q53.4Low77.7Confident199 Ų19996.1 Ų96.193%0.9350%0.501SS*.SBendtrans663.9164.4-67173.1-52.800120.8P821P821-Q823 PolarHBondContact O-N 3.49Å
824T58.6Low77.3Confident119 Ų11994.2 Ų94.273%0.7351%0.509SS*.  trans-125.5-1-171.656.70000118.6R822R822-T824 PolarHBondContact O-N 2.97Å
825M67.4Low77Confident104 Ų10491.7 Ų91.751%0.51250%0.497SS..SBendtrans-77.4137.2173.3-74.4-103.166.300111.7P821 I827P821-M825 HydrophobicContact CG-CB 4.47Å; P821-M825 HydrophobicContact CG-CG 3.3Å; P821-M825 HydrophobicContact CG-SD 4.31Å; M825-I827 PolarHBondContact O-N 3.03Å
826T82.5Confident77Confident66 Ų6698.3 Ų98.341%0.40553%0.532SS..PPolyproline II helixtrans-61.2127.5160.6-51.30000108.8V790 Q846V790-T826 HydrophobicContact CG1-CG2 4.12Å; V790-T826 HydrophobicContact CG2-CG2 4.25Å; T826-Q846 PolarHBondContact O-NE2 2.97Å
827I87.6Confident77.3Confident73 Ų7395.6 Ų95.637%0.37451%0.511SS..PPolyproline II helixtrans-89.1151.1-178.9-55.9179.2000109.2N794 M825 R842 H843N794-I827 PolarHBondContact ND2-O 2.81Å; M825-I827 PolarHBondContact O-N 3.03Å; I827-R842 HydrophobicContact CG2-CG 3.6Å; I827-H843 HydrophobicContact CD1-CB 4.46Å
828F89.9Confident77.8Confident8 Ų893.1 Ų93.14%0.03550%0.495CS..PPolyproline II helixtrans-69.8130.3170.5175.8-109.1000110.5V790 A793 N794 V810 L812 L832 R842V790-F828 HydrophobicContact CG2-CB 4.47Å; A793-F828 HydrophobicContact CB-CD2 3.85Å; A793-F828 HydrophobicContact CB-CE2 3.9Å; N794-F828 VanDerWaalsContact OD1-CA 3.28Å; N794-F828 WeakPolarHBondContact OD1-CA 3.22Å; N794-F828 WeakPolarHBondContact OD1-CD2 3.47Å; V810-F828 HydrophobicContact CB-CE2 4.17Å; V810-F828 HydrophobicContact CB-CZ 4.28Å; V810-F828 HydrophobicContact CG1-CD2 4.34Å; V810-F828 HydrophobicContact CG1-CE2 3.76Å; V810-F828 HydrophobicContact CG1-CZ 4.16Å; V810-F828 HydrophobicContact CG2-CE2 4.19Å; L812-F828 HydrophobicContact CD1-CD1 3.84Å; L812-F828 HydrophobicContact CD1-CE1 3.91Å; L812-F828 HydrophobicContact CD2-CB 4.36Å; L812-F828 HydrophobicContact CD2-CD1 3.75Å; L812-F828 HydrophobicContact CD2-CD2 4.19Å; L812-F828 HydrophobicContact CD2-CE1 4Å; L812-F828 HydrophobicContact CD2-CE2 4.44Å; L812-F828 HydrophobicContact CD2-CG 3.82Å; L812-F828 HydrophobicContact CD2-CZ 4.32Å; L812-F828 HydrophobicContact CG-CD1 4.43Å; L812-F828 HydrophobicContact CG-CE1 4.44Å; F828-L832 HydrophobicContact CD1-CD2 3.84Å; F828-L832 HydrophobicContact CE1-CD2 3.98Å; F828-R842 VanDerWaalsContact O-CD 3.24Å; F828-R842 WeakPolarHBondContact O-CD 3.44Å; F828-R842 WeakPolarHBondContact O-CG 3.49Å
829T89.1Confident78.3Confident82 Ų8292.4 Ų92.450%0.50348%0.479SS..  trans-119.312.9-175.167.30000114.2N794N794-T829 WeakPolarHBondContact CB-OG1 3.27Å; N794-T829 VanDerWaalsContact CG-OG1 3.24Å; N794-T829 PolarHBondContact ND2-OG1 3.16Å; N794-T829 PolarHBondContact OD1-N 2.85Å
830G86.9Confident79.1Confident22 Ų2292.1 Ų92.123%0.22748%0.476CS..SBendtrans-84.6-170.217300000112.5R842G830-R842 PolarHBondContact O-NH2 2.83Å
831D84.7Confident80.1Confident96 Ų9690.4 Ų90.451%0.51347%0.468SS..  trans-69.7134.3179.8-179.234.9000112.6K833D831-K833 WeakPolarHBondContact OD1-CB 3.1Å; D831-K833 WeakPolarHBondContact OD1-CG 3.17Å; D831-K833 PolarHBondContact OD1-N 3.16Å
832L87.8Confident81.6Confident5 Ų589.8 Ų89.83%0.02646%0.457CS..  trans-104.7-15.1175.5-66.8-177.2000113.2L812 F828 A834 Y835 N836 I837 E839 R842L812-L832 HydrophobicContact CD1-CD2 3.39Å; F828-L832 HydrophobicContact CD1-CD2 3.84Å; F828-L832 HydrophobicContact CE1-CD2 3.98Å; L832-A834 VanDerWaalsContact C-N 3.27Å; L832-A834 PolarHBondContact O-N 2.91Å; L832-Y835 WeakPolarHBondContact O-CA 3.22Å; L832-Y835 PolarHBondContact O-N 2.66Å; L832-N836 PolarHBondContact O-N 2.82Å; L832-I837 HydrophobicContact CB-CB 4.31Å; L832-I837 WeakPolarHBondContact CB-O 3.2Å; L832-I837 HydrophobicContact CD1-CG2 4.11Å; L832-I837 HydrophobicContact CD2-CB 4.48Å; L832-I837 HydrophobicContact CD2-CD1 4.49Å; L832-I837 HydrophobicContact CD2-CG2 4.5Å; L832-E839 WeakPolarHBondContact CD1-OE2 3.44Å; L832-R842 HydrophobicContact CD1-CB 3.65Å; L832-R842 HydrophobicContact CD1-CG 3.91Å
833K84.6Confident83.1Confident183 Ų18382.7 Ų82.780%0.79643%0.434SS*.G310 helixtrans-59.9-39.2-177.4-64.4-179.9178.9-171.40111.5D831 Y835 N836D831-K833 WeakPolarHBondContact OD1-CB 3.1Å; D831-K833 WeakPolarHBondContact OD1-CG 3.17Å; D831-K833 PolarHBondContact OD1-N 3.16Å; K833-Y835 PolarHBondContact O-N 3.35Å; K833-N836 PolarHBondContact O-N 3.47Å; K833-N836 VanDerWaalsContact O-N 3.08Å
834A83.9Confident84.8Confident77 Ų7776.7 Ų76.764%0.63641%0.405SS*.G310 helixtrans-60.5-6.1173.200000115.5L832L832-A834 VanDerWaalsContact C-N 3.27Å; L832-A834 PolarHBondContact O-N 2.91Å
835Y85.6Confident86.3Confident69 Ų6972.9 Ų72.927%0.27138%0.377SS..G310 helixtrans-119.9-1.7177.7-72.4-77.4000113.9K809 V810 L812 L832 K833 I837K809-Y835 WeakPolarHBondContact CE-OH 3.46Å; V810-Y835 WeakPolarHBondContact O-CE2 3.19Å; V810-Y835 PolarHBondContact O-OH 3.31Å; L812-Y835 HydrophobicContact CD1-CD2 4.07Å; L812-Y835 HydrophobicContact CD1-CG 4.42Å; L812-Y835 HydrophobicContact CG-CD2 4.34Å; L812-Y835 HydrophobicContact CG-CE2 4.41Å; L832-Y835 WeakPolarHBondContact O-CA 3.22Å; L832-Y835 PolarHBondContact O-N 2.66Å; K833-Y835 PolarHBondContact O-N 3.35Å; Y835-I837 HydrophobicContact CG-CD1 4.29Å; Y835-I837 PolarHBondContact O-N 3.07Å
836N88.8Confident87.5Confident155 Ų15569 Ų6983%0.82936%0.358SS*.THydrogen-bonded Turntrans48.838.2-169.1-157.340.2000113.2L832 K833L832-N836 PolarHBondContact O-N 2.82Å; K833-N836 PolarHBondContact O-N 3.47Å; K833-N836 VanDerWaalsContact O-N 3.08Å
837I89.4Confident88Confident18 Ų1866.2 Ų66.29%0.09234%0.341CS..  trans-98124.4174.2-63.8164.5000107.1L812 L832 Y835 D841 Y845L812-I837 HydrophobicContact CD1-CD1 4.03Å; L832-I837 HydrophobicContact CB-CB 4.31Å; L832-I837 WeakPolarHBondContact CB-O 3.2Å; L832-I837 HydrophobicContact CD1-CG2 4.11Å; L832-I837 HydrophobicContact CD2-CB 4.48Å; L832-I837 HydrophobicContact CD2-CD1 4.49Å; L832-I837 HydrophobicContact CD2-CG2 4.5Å; Y835-I837 HydrophobicContact CG-CD1 4.29Å; Y835-I837 PolarHBondContact O-N 3.07Å; I837-D841 HydrophobicContact CG2-CB 4.18Å; I837-Y845 HydrophobicContact CB-CE2 4.44Å; I837-Y845 HydrophobicContact CD1-CD1 3.53Å; I837-Y845 HydrophobicContact CD1-CD2 3.99Å; I837-Y845 HydrophobicContact CD1-CE1 3.6Å; I837-Y845 HydrophobicContact CD1-CE2 4.06Å; I837-Y845 HydrophobicContact CD1-CG 3.74Å; I837-Y845 HydrophobicContact CG1-CD1 4.43Å; I837-Y845 HydrophobicContact CG1-CD2 4.41Å; I837-Y845 HydrophobicContact CG1-CE1 4.07Å; I837-Y845 HydrophobicContact CG1-CE2 4.05Å; I837-Y845 HydrophobicContact CG2-CD2 3.65Å; I837-Y845 HydrophobicContact CG2-CE2 3.51Å; I837-Y845 HydrophobicContact CG2-CG 4.44Å
838P88.3Confident88.2Confident64 Ų6464.4 Ų64.442%0.41634%0.335SS..  trans-77.7156.4177.135.2-35.1000110.7E840 D841 R842P838-E840 VanDerWaalsContact CB-OE1 3.26Å; P838-E840 WeakPolarHBondContact CB-OE1 3.41Å; P838-E840 VanDerWaalsContact CG-OE1 3.24Å; P838-E840 WeakPolarHBondContact CG-OE1 3.45Å; P838-E840 PolarHBondContact O-N 2.78Å; P838-D841 HydrophobicContact CG-CB 4.11Å; P838-D841 PolarHBondContact O-N 3.38Å; P838-R842 PolarHBondContact O-N 2.97Å
839E87.5Confident88.5Confident103 Ų10364.8 Ų64.848%0.48134%0.338SS..G310 helixtrans-68.2-33.6-162-17964.3-176.300112.9L832 D841 R842L832-E839 WeakPolarHBondContact CD1-OE2 3.44Å; E839-D841 VanDerWaalsContact C-N 3.27Å; E839-D841 PolarHBondContact O-N 3.48Å; E839-R842 VanDerWaalsContact CD-NH2 3.26Å; E839-R842 WeakPolarHBondContact O-CB 3.34Å; E839-R842 PolarHBondContact O-N 3.04Å; E839-R842 IonicContact OE1-CZ 3.81Å; E839-R842 IonicContact OE1-NE 3.69Å; E839-R842 PolarHBondContact OE1-NE 3.17Å; E839-R842 IonicContact OE1-NH1 2.75Å; E839-R842 PolarHBondContact OE1-NH1 3.39Å; E839-R842 IonicContact OE1-NH2 3.83Å; E839-R842 PolarHBondContact OE1-NH2 3.33Å; E839-R842 IonicContact OE2-CZ 2.98Å; E839-R842 IonicContact OE2-NE 3.69Å; E839-R842 PolarHBondContact OE2-NE 2.88Å; E839-R842 IonicContact OE2-NH2 3.81Å; E839-R842 PolarHBondContact OE2-NH2 3.5Å
840E86.8Confident88.8Confident132 Ų13260.9 Ų60.962%0.61732%0.315SS*.G310 helixtrans-62.3-34.3173.169.6-73.9176.800112P838 R842 H843P838-E840 VanDerWaalsContact CB-OE1 3.26Å; P838-E840 WeakPolarHBondContact CB-OE1 3.41Å; P838-E840 VanDerWaalsContact CG-OE1 3.24Å; P838-E840 WeakPolarHBondContact CG-OE1 3.45Å; P838-E840 PolarHBondContact O-N 2.78Å; E840-R842 VanDerWaalsContact C-N 3.28Å; E840-R842 PolarHBondContact O-N 2.87Å; E840-H843 PolarHBondContact O-CE1 3.32Å; E840-H843 PolarHBondContact O-ND1 2.96Å
841D88.4Confident89.2Confident27 Ų2761.6 Ų61.614%0.14431%0.313CS..G310 helixtrans-78.7-9.8179.3-114.843.3000113.1K814 I837 P838 E839 H843 K844 Y845K814-D841 IonicContact NZ-OD2 3.03Å; I837-D841 HydrophobicContact CG2-CB 4.18Å; P838-D841 HydrophobicContact CG-CB 4.11Å; P838-D841 PolarHBondContact O-N 3.38Å; E839-D841 VanDerWaalsContact C-N 3.27Å; E839-D841 PolarHBondContact O-N 3.48Å; D841-H843 PolarHBondContact O-N 3.15Å; D841-K844 WeakPolarHBondContact O-CA 3.48Å; D841-K844 VanDerWaalsContact O-CB 3.26Å; D841-K844 WeakPolarHBondContact O-CB 3.44Å; D841-K844 PolarHBondContact O-N 2.81Å; D841-K844 WeakPolarHBondContact OD1-CD 3.4Å; D841-K844 WeakPolarHBondContact OD1-CE 3.27Å; D841-K844 IonicContact OD1-NZ 2.8Å; D841-K844 PolarHBondContact OD1-NZ 3.35Å; D841-K844 WeakPolarHBondContact OD2-CD 3.45Å; D841-K844 IonicContact OD2-NZ 2.67Å; D841-Y845 HydrophobicContact CB-CE2 4.24Å; D841-Y845 WeakPolarHBondContact O-CD2 3.46Å
842R88.1Confident89.8Confident49 Ų4957 Ų5719%0.18529%0.289CS..G310 helixtrans-42.8-43.9-179.9177177.6-79.8-150.4-6114I827 F828 G830 L832 P838 E839 E840 K844 Y845I827-R842 HydrophobicContact CG2-CG 3.6Å; F828-R842 VanDerWaalsContact O-CD 3.24Å; F828-R842 WeakPolarHBondContact O-CD 3.44Å; F828-R842 WeakPolarHBondContact O-CG 3.49Å; G830-R842 PolarHBondContact O-NH2 2.83Å; L832-R842 HydrophobicContact CD1-CB 3.65Å; L832-R842 HydrophobicContact CD1-CG 3.91Å; P838-R842 PolarHBondContact O-N 2.97Å; E839-R842 VanDerWaalsContact CD-NH2 3.26Å; E839-R842 WeakPolarHBondContact O-CB 3.34Å; E839-R842 PolarHBondContact O-N 3.04Å; E839-R842 IonicContact OE1-CZ 3.81Å; E839-R842 IonicContact OE1-NE 3.69Å; E839-R842 PolarHBondContact OE1-NE 3.17Å; E839-R842 IonicContact OE1-NH1 2.75Å; E839-R842 PolarHBondContact OE1-NH1 3.39Å; E839-R842 IonicContact OE1-NH2 3.83Å; E839-R842 PolarHBondContact OE1-NH2 3.33Å; E839-R842 IonicContact OE2-CZ 2.98Å; E839-R842 IonicContact OE2-NE 3.69Å; E839-R842 PolarHBondContact OE2-NE 2.88Å; E839-R842 IonicContact OE2-NH2 3.81Å; E839-R842 PolarHBondContact OE2-NH2 3.5Å; E840-R842 VanDerWaalsContact C-N 3.28Å; E840-R842 PolarHBondContact O-N 2.87Å; R842-K844 PolarHBondContact O-N 2.91Å; R842-Y845 PolarHBondContact O-N 3.11Å
843H85.5Confident90.2Very high85 Ų8559.6 Ų59.639%0.39430%0.298SS..G310 helixtrans-62.7-24.5-17968.3-81.4000113.3M820 I827 E840 D841 Y845M820-H843 VanDerWaalsContact CE-O 3.26Å; M820-H843 WeakPolarHBondContact CE-O 3.2Å; I827-H843 HydrophobicContact CD1-CB 4.46Å; E840-H843 PolarHBondContact O-CE1 3.32Å; E840-H843 PolarHBondContact O-ND1 2.96Å; D841-H843 PolarHBondContact O-N 3.15Å; H843-Y845 PolarHBondContact O-N 3.23Å
844K88.6Confident90.6Very high74 Ų7452 Ų5232%0.32226%0.264SS..G310 helixtrans-79.21.5176.3-50.6178.4-166.3164.90113.1K814 V815 M820 D841 R842K814-K844 CarbonylContact C-O 3.58Å; K814-K844 WeakPolarHBondContact CA-O 3.29Å; V815-K844 PolarHBondContact N-O 2.6Å; M820-K844 HydrophobicContact CE-CB 4.14Å; M820-K844 HydrophobicContact CE-CG 3.9Å; D841-K844 WeakPolarHBondContact O-CA 3.48Å; D841-K844 VanDerWaalsContact O-CB 3.26Å; D841-K844 WeakPolarHBondContact O-CB 3.44Å; D841-K844 PolarHBondContact O-N 2.81Å; D841-K844 WeakPolarHBondContact OD1-CD 3.4Å; D841-K844 WeakPolarHBondContact OD1-CE 3.27Å; D841-K844 IonicContact OD1-NZ 2.8Å; D841-K844 PolarHBondContact OD1-NZ 3.35Å; D841-K844 WeakPolarHBondContact OD2-CD 3.45Å; D841-K844 IonicContact OD2-NZ 2.67Å; R842-K844 PolarHBondContact O-N 2.91Å
845Y90.9Very high91Very high38 Ų3851.5 Ų51.515%0.14925%0.253CS..EExtended strand (participates in β ladder)trans-126.7145.1-179.9-62.8-95.8000112.5Y813 K814 I837 D841 R842 H843Y813-Y845 VanDerWaalsContact O-CA 3.32Å; Y813-Y845 WeakPolarHBondContact O-CA 3.29Å; K814-Y845 HydrophobicContact CB-CD1 4Å; K814-Y845 HydrophobicContact CB-CE1 3.61Å; K814-Y845 HydrophobicContact CD-CE1 4.15Å; K814-Y845 HydrophobicContact CG-CD1 4.38Å; K814-Y845 HydrophobicContact CG-CE1 3.86Å; K814-Y845 HydrophobicContact CG-CE2 4.49Å; K814-Y845 PolarHBondContact NZ-OH 2.8Å; I837-Y845 HydrophobicContact CB-CE2 4.44Å; I837-Y845 HydrophobicContact CD1-CD1 3.53Å; I837-Y845 HydrophobicContact CD1-CD2 3.99Å; I837-Y845 HydrophobicContact CD1-CE1 3.6Å; I837-Y845 HydrophobicContact CD1-CE2 4.06Å; I837-Y845 HydrophobicContact CD1-CG 3.74Å; I837-Y845 HydrophobicContact CG1-CD1 4.43Å; I837-Y845 HydrophobicContact CG1-CD2 4.41Å; I837-Y845 HydrophobicContact CG1-CE1 4.07Å; I837-Y845 HydrophobicContact CG1-CE2 4.05Å; I837-Y845 HydrophobicContact CG2-CD2 3.65Å; I837-Y845 HydrophobicContact CG2-CE2 3.51Å; I837-Y845 HydrophobicContact CG2-CG 4.44Å; D841-Y845 HydrophobicContact CB-CE2 4.24Å; D841-Y845 WeakPolarHBondContact O-CD2 3.46Å; R842-Y845 PolarHBondContact O-N 3.11Å; H843-Y845 PolarHBondContact O-N 3.23Å
846Q91.8Very high91.1Very high22 Ų2249 Ų4910%0.10325%0.245CC..EExtended strand (participates in β ladder)trans-132.8156.9174.1-78.4-74-26.200109.3L812 Y813 V815 T826 S848L812-Q846 CarbonylContact C-O 3.53Å; L812-Q846 WeakPolarHBondContact CA-O 3.25Å; Y813-Q846 HydrophobicContact CD1-CB 4.26Å; Y813-Q846 WeakPolarHBondContact CD1-O 3.39Å; Y813-Q846 HydrophobicContact CE1-CB 3.54Å; Y813-Q846 PolarHBondContact N-O 3.28Å; Y813-Q846 PolarHBondContact O-N 2.9Å; V815-Q846 HydrophobicContact CG2-CB 3.73Å; V815-Q846 HydrophobicContact CG2-CG 3.58Å; T826-Q846 PolarHBondContact O-NE2 2.97Å; Q846-S848 PolarHBondContact O-N 3.3Å
847P93.4Very high90.6Very high8 Ų844.7 Ų44.75%0.05223%0.225CC..EExtended strand (participates in β ladder)trans-76.3127.1175.926.2-24000111V790 A793 V810 L812V790-P847 HydrophobicContact CB-CG 3.77Å; V790-P847 HydrophobicContact CG2-CG 4.07Å; A793-P847 HydrophobicContact CB-CB 3.77Å; A793-P847 HydrophobicContact CB-CG 3.66Å; V810-P847 HydrophobicContact CG1-CB 3.63Å; L812-P847 HydrophobicContact CD2-CB 4.08Å
848S92.9Very high89.9Confident35 Ų3548.4 Ų48.425%0.24524%0.244CC..EExtended strand (participates in β ladder)trans-89-27.5174.765.20000112.7T811 Q846T811-S848 PolarHBondContact O-N 2.83Å; T811-S848 PolarHBondContact O-OG 3.33Å; Q846-S848 PolarHBondContact O-N 3.3Å
849C94.9Very high89.4Confident16 Ų1654 Ų5411%0.10826%0.262CS..EExtended strand (participates in β ladder)trans-157.2142.1-175.7-175.10000110.7T811 F872 K873T811-C849 PolarHBondContact N-O 3.09Å; T811-C849 PolarHBondContact O-N 3.12Å; C849-F872 CarbonylContact C-O 3.59Å; C849-F872 VanDerWaalsContact CA-O 3.27Å; C849-F872 WeakPolarHBondContact CA-O 3.49Å; C849-F872 PolarHBondContact SG-O 3.31Å; C849-K873 HydrophobicContact CB-CB 4.44Å; C849-K873 HydrophobicContact CB-CD 4.43Å
850V96.2Very high88.8Confident0 Ų057 Ų570%028%0.282CS..EExtended strand (participates in β ladder)trans-116.2120.5164-176.70000107.9L789 L792 A793 A796 V810 F852 F872L789-V850 HydrophobicContact CD1-CB 4.26Å; L789-V850 HydrophobicContact CD1-CG2 3.74Å; L789-V850 HydrophobicContact CG-CG2 4.35Å; L792-V850 HydrophobicContact CD2-CB 4.35Å; L792-V850 HydrophobicContact CG-CB 4.37Å; L792-V850 HydrophobicContact CG-CG1 4.34Å; L792-V850 HydrophobicContact CG-CG2 4.25Å; A793-V850 HydrophobicContact CB-CG2 3.81Å; A796-V850 HydrophobicContact CB-CG1 3.86Å; V810-V850 HydrophobicContact CG1-CG2 4.41Å; V810-V850 HydrophobicContact CG2-CG1 4.37Å; V810-V850 HydrophobicContact CG2-CG2 4.24Å; V850-F852 HydrophobicContact CG1-CD2 4.3Å; V850-F852 HydrophobicContact CG1-CE2 3.59Å; V850-F852 HydrophobicContact CG1-CZ 4.07Å; V850-F872 HydrophobicContact CB-CB 4.25Å; V850-F872 PolarHBondContact N-O 3.4Å; V850-F872 WeakPolarHBondContact O-CB 3.35Å; V850-F872 PolarHBondContact O-N 3.06Å
851L95.8Very high88Confident38 Ų3856 Ų5620%0.19929%0.285CS..EExtended strand (participates in β ladder)trans-111.8123.7-177.7166.866.2000109.3S808 K809 R853 A869 I871S808-L851 CarbonylContact C-O 3.51Å; S808-L851 WeakPolarHBondContact CA-O 3.36Å; K809-L851 PolarHBondContact N-O 3.07Å; K809-L851 PolarHBondContact O-N 3.45Å; L851-R853 HydrophobicContact CD1-CB 4.3Å; L851-R853 HydrophobicContact CG-CB 4.42Å; L851-A869 HydrophobicContact CD1-CB 4.03Å; L851-I871 HydrophobicContact CD1-CG1 3.78Å
852F96.8Very high87.1Confident0 Ų055.3 Ų55.30%028%0.282CS..EExtended strand (participates in β ladder)trans-103.3135.5161.8-64.2-91.7000108.1A796 I799 V801 W806 T807 V850 A869 V870 F872 V901 L905A796-F852 HydrophobicContact CB-CZ 4.01Å; I799-F852 HydrophobicContact CB-CE1 4.41Å; I799-F852 HydrophobicContact CD1-CZ 3.93Å; V801-F852 HydrophobicContact CG1-CD1 4.45Å; W806-F852 HydrophobicContact CE3-CB 3.98Å; W806-F852 HydrophobicContact CZ3-CB 3.97Å; T807-F852 WeakPolarHBondContact O-CA 3.15Å; V850-F852 HydrophobicContact CG1-CD2 4.3Å; V850-F852 HydrophobicContact CG1-CE2 3.59Å; V850-F852 HydrophobicContact CG1-CZ 4.07Å; F852-A869 CarbonylContact O-C 3.55Å; F852-A869 WeakPolarHBondContact O-CA 3.45Å; F852-V870 PolarHBondContact N-O 3.46Å; F852-V870 PolarHBondContact O-N 3.04Å; F852-F872 AromaticContact CD2-CD2 3.95Å; F852-F872 HydrophobicContact CD2-CD2 3.95Å; F852-F872 AromaticContact CD2-CE2 3.68Å; F852-F872 HydrophobicContact CD2-CE2 3.68Å; F852-F872 AromaticContact CE2-CD2 3.98Å; F852-F872 HydrophobicContact CE2-CD2 3.98Å; F852-F872 AromaticContact CE2-CE2 3.79Å; F852-F872 HydrophobicContact CE2-CE2 3.79Å; F852-V901 HydrophobicContact CE2-CG1 4.19Å; F852-V901 HydrophobicContact CZ-CG1 4.47Å; F852-L905 HydrophobicContact CB-CD2 3.6Å; F852-L905 HydrophobicContact CD1-CD1 3.94Å; F852-L905 HydrophobicContact CD1-CD2 4.45Å; F852-L905 HydrophobicContact CE1-CD1 4.31Å; F852-L905 HydrophobicContact CG-CD1 4.13Å; F852-L905 HydrophobicContact CG-CD2 3.96Å
853R95.4Very high86.4Confident59 Ų5965.3 Ų65.322%0.22332%0.32CS..EExtended strand (participates in β ladder)trans-145.8135.1-178.164.8-164.5177164.14.2111.3W806 T807 L851 Y866 R868 A869W806-R853 CarbonylContact C-O 3.54Å; W806-R853 WeakPolarHBondContact CA-O 3Å; T807-R853 PolarHBondContact N-O 3.44Å; T807-R853 PolarHBondContact O-N 3.46Å; T807-R853 WeakPolarHBondContact OG1-CG 3.43Å; T807-R853 PolarHBondContact OG1-NE 3.26Å; T807-R853 PolarHBondContact OG1-O 2.87Å; L851-R853 HydrophobicContact CD1-CB 4.3Å; L851-R853 HydrophobicContact CG-CB 4.42Å; R853-Y866 HydrophobicContact CB-CD1 3.92Å; R853-Y866 HydrophobicContact CB-CG 3.98Å; R853-Y866 HydrophobicContact CG-CD1 3.65Å; R853-Y866 HydrophobicContact CG-CE1 3.79Å; R853-Y866 HydrophobicContact CG-CG 4.09Å; R853-Y866 VanDerWaalsContact CZ-CZ 3.48Å; R853-Y866 PolarHBondContact NH1-OH 2.92Å; R853-Y866 VanDerWaalsContact NH1-OH 3.07Å; R853-Y866 PolarHBondContact NH2-OH 3.1Å; R853-R868 CarbonylContact C-O 3.54Å; R853-R868 VanDerWaalsContact CA-O 3.25Å; R853-R868 WeakPolarHBondContact CA-O 3.33Å; R853-A869 HydrophobicContact CB-CB 4.36Å
854R94.3Very high86.1Confident22 Ų2264.6 Ų64.68%0.08332%0.321CS..EExtended strand (participates in β ladder)trans-94.7129.4175.4-167.1175.278.2-176.43109.4K805 W806 Y866 D867 R868 D909K805-R854 HydrophobicContact CB-CG 3.74Å; K805-R854 WeakPolarHBondContact O-CA 3.47Å; W806-R854 HydrophobicContact CD2-CB 3.83Å; W806-R854 HydrophobicContact CD2-CG 4.39Å; W806-R854 HydrophobicContact CE3-CB 4.17Å; W806-R854 HydrophobicContact CG-CB 4.24Å; W806-R854 HydrophobicContact CG-CG 4.37Å; W806-R854 HydrophobicContact CH2-CB 4.43Å; W806-R854 HydrophobicContact CZ2-CB 4.11Å; W806-R854 HydrophobicContact CZ3-CB 4.45Å; R854-Y866 CarbonylContact O-C 3.54Å; R854-Y866 WeakPolarHBondContact O-CA 3.37Å; R854-Y866 VanDerWaalsContact O-CB 3.31Å; R854-Y866 WeakPolarHBondContact O-CB 3.4Å; R854-D867 WeakPolarHBondContact CB-OD1 3.47Å; R854-D867 IonicContact CZ-OD1 2.91Å; R854-D867 IonicContact CZ-OD2 2.81Å; R854-D867 IonicContact NE-OD1 3.03Å; R854-D867 PolarHBondContact NE-OD1 2.81Å; R854-D867 IonicContact NE-OD2 3.05Å; R854-D867 PolarHBondContact NE-OD2 2.73Å; R854-D867 VanDerWaalsContact NE-OD2 3.11Å; R854-D867 IonicContact NH2-OD1 2.99Å; R854-D867 IonicContact NH2-OD2 2.69Å; R854-D867 PolarHBondContact NH2-OD2 3.47Å; R854-D867 PolarHBondContact O-N 2.85Å; R854-D867 VanDerWaalsContact O-N 3.13Å; R854-R868 HydrophobicContact CB-CB 3.85Å; R854-R868 HydrophobicContact CB-CG 4.31Å; R854-R868 PolarHBondContact N-O 3.06Å; R854-D909 WeakPolarHBondContact CD-OD1 3.34Å; R854-D909 IonicContact CZ-OD1 3.72Å; R854-D909 IonicContact NE-OD1 2.6Å; R854-D909 PolarHBondContact NH1-O 3.5Å; R854-D909 IonicContact NH1-OD1 3.4Å; R854-D909 PolarHBondContact NH1-OD1 3.5Å; R854-D909 IonicContact NH1-OD2 2.9Å
855V91.4Very high85.9Confident68 Ų6865.2 Ų65.241%0.41233%0.333SS..EExtended strand (participates in β ladder)trans-64.6133.5171.6178.50000108.3K805 V857 Y866K805-V855 PolarHBondContact O-N 3.16Å; V855-V857 PolarHBondContact O-N 3.03Å; V855-Y866 HydrophobicContact CG2-CD1 4.33Å; V855-Y866 HydrophobicContact CG2-CE1 4.07Å
856V88.2Confident85.9Confident16 Ų1666.8 Ų66.810%0.09734%0.339CS..PPolyproline II helixtrans-46.9131.5179.8170.40000111.6D858 C862 V864 P865 D867V856-D858 WeakPolarHBondContact CG1-O 3.21Å; V856-C862 HydrophobicContact CG1-CB 4.49Å; V856-C862 HydrophobicContact CG2-CB 4Å; V856-V864 WeakPolarHBondContact CG2-O 3.27Å; V856-P865 PolarHBondContact N-O 3.18Å; V856-D867 HydrophobicContact CB-CB 4.5Å; V856-D867 HydrophobicContact CG2-CB 4.02Å
857V78.4Confident85.9Confident65 Ų6566.3 Ų66.339%0.39434%0.337SS..SBendtrans-69.6-56.4169.9-176.70000110.5K805 V855K805-V857 HydrophobicContact CD-CG2 4.13Å; V855-V857 PolarHBondContact O-N 3.03Å
858D74.6Confident85.9Confident95 Ų9566.7 Ų66.751%0.50834%0.337SS..  trans-114.1101.7-175.7-55.3-56.6000111.1V856 N860 T861V856-D858 WeakPolarHBondContact CG1-O 3.21Å; D858-N860 PolarHBondContact O-N 3.19Å; D858-T861 HydrophobicContact CB-CG2 3.96Å; D858-T861 PolarHBondContact O-N 2.83Å; D858-T861 PolarHBondContact O-OG1 3.07Å
859K77.1Confident85.9Confident183 Ų18365.6 Ų65.680%0.79633%0.33SS*.THydrogen-bonded Turntrans-56.5-17.9-176.8-66.5-178.2-179.3177.50114.1
860N75.6Confident86Confident165 Ų16564.9 Ų64.988%0.88233%0.325SS*.THydrogen-bonded Turntrans-82.7-19.4-179.2-59.16.2000112.9D858D858-N860 PolarHBondContact O-N 3.19Å
861T69.6Low85.9Confident112 Ų11266.8 Ų66.869%0.68734%0.335SS*.THydrogen-bonded Turntrans-95.4-27.9-175.964.30000113.2D858D858-T861 HydrophobicContact CB-CG2 3.96Å; D858-T861 PolarHBondContact O-N 2.83Å; D858-T861 PolarHBondContact O-OG1 3.07Å
862C68.8Low85.9Confident12 Ų1265 Ų658%0.08133%0.326CS..  trans-125.4125.5179.9-1610000111.9V856 V864V856-C862 HydrophobicContact CG1-CB 4.49Å; V856-C862 HydrophobicContact CG2-CB 4Å; C862-V864 PolarHBondContact O-N 2.68Å
863R74.6Confident85.8Confident259 Ų25969.3 Ų69.398%0.97734%0.344SS*.SBendtrans-72.4-9.6175.1-66.2-174.2177.3-163.9-1.6113.9
864V79.3Confident85.5Confident69 Ų6972 Ų7242%0.41836%0.364SS..SBendtrans-100.7139.8-177.9-175.10000108V856 C862 Y866V856-V864 WeakPolarHBondContact CG2-O 3.27Å; C862-V864 PolarHBondContact O-N 2.68Å; V864-Y866 PolarHBondContact O-N 3.45Å
865P84.3Confident85.3Confident88 Ų8879 Ų7957%0.57140%0.395SS*.SBendtrans-64.7-2.6-179.224.5-35.3000115.7V856V856-P865 PolarHBondContact N-O 3.18Å
866Y90.3Very high85.3Confident70 Ų7077.4 Ų77.428%0.27539%0.386SS..EExtended strand (participates in β ladder)trans-130.4127.7176.3-53.9-70.7000109.9R853 R854 V855 V864R853-Y866 HydrophobicContact CB-CD1 3.92Å; R853-Y866 HydrophobicContact CB-CG 3.98Å; R853-Y866 HydrophobicContact CG-CD1 3.65Å; R853-Y866 HydrophobicContact CG-CE1 3.79Å; R853-Y866 HydrophobicContact CG-CG 4.09Å; R853-Y866 VanDerWaalsContact CZ-CZ 3.48Å; R853-Y866 PolarHBondContact NH1-OH 2.92Å; R853-Y866 VanDerWaalsContact NH1-OH 3.07Å; R853-Y866 PolarHBondContact NH2-OH 3.1Å; R854-Y866 CarbonylContact O-C 3.54Å; R854-Y866 WeakPolarHBondContact O-CA 3.37Å; R854-Y866 VanDerWaalsContact O-CB 3.31Å; R854-Y866 WeakPolarHBondContact O-CB 3.4Å; V855-Y866 HydrophobicContact CG2-CD1 4.33Å; V855-Y866 HydrophobicContact CG2-CE1 4.07Å; V864-Y866 PolarHBondContact O-N 3.45Å
867D91.3Very high85.5Confident12 Ų1276.9 Ų76.96%0.06438%0.382CS..EExtended strand (participates in β ladder)trans-83.7-38.3177.361.3-8.8000111.5R854 V856 D882R854-D867 WeakPolarHBondContact CB-OD1 3.47Å; R854-D867 IonicContact CZ-OD1 2.91Å; R854-D867 IonicContact CZ-OD2 2.81Å; R854-D867 IonicContact NE-OD1 3.03Å; R854-D867 PolarHBondContact NE-OD1 2.81Å; R854-D867 IonicContact NE-OD2 3.05Å; R854-D867 PolarHBondContact NE-OD2 2.73Å; R854-D867 VanDerWaalsContact NE-OD2 3.11Å; R854-D867 IonicContact NH2-OD1 2.99Å; R854-D867 IonicContact NH2-OD2 2.69Å; R854-D867 PolarHBondContact NH2-OD2 3.47Å; R854-D867 PolarHBondContact O-N 2.85Å; R854-D867 VanDerWaalsContact O-N 3.13Å; V856-D867 HydrophobicContact CB-CB 4.5Å; V856-D867 HydrophobicContact CG2-CB 4.02Å; D867-D882 VanDerWaalsContact O-CA 3.27Å; D867-D882 WeakPolarHBondContact O-CA 3.5Å; D867-D882 PolarHBondContact O-N 2.77Å
868R93.4Very high86.2Confident17 Ų1777.5 Ų77.56%0.06438%0.378CS..EExtended strand (participates in β ladder)trans-117.9144.9177.4-50.6-59.7161.295.2-13.1112W806 R853 R854 N880 D882 V908 D909 L911W806-R868 HydrophobicContact CH2-CB 3.71Å; W806-R868 HydrophobicContact CZ2-CB 3.97Å; W806-R868 HydrophobicContact CZ3-CB 4.47Å; R853-R868 CarbonylContact C-O 3.54Å; R853-R868 VanDerWaalsContact CA-O 3.25Å; R853-R868 WeakPolarHBondContact CA-O 3.33Å; R854-R868 HydrophobicContact CB-CB 3.85Å; R854-R868 HydrophobicContact CB-CG 4.31Å; R854-R868 PolarHBondContact N-O 3.06Å; R868-N880 WeakPolarHBondContact CA-O 3.44Å; R868-D882 IonicContact CZ-OD1 2.66Å; R868-D882 IonicContact NE-OD1 3.86Å; R868-D882 PolarHBondContact NE-OD1 3.26Å; R868-D882 IonicContact NH2-OD1 2.6Å; R868-D882 PolarHBondContact NH2-OD1 3.03Å; R868-D882 IonicContact NH2-OD2 2.78Å; R868-V908 HydrophobicContact CB-CG1 4.03Å; R868-V908 HydrophobicContact CG-CG1 4.45Å; R868-V908 PolarHBondContact NH1-O 3.37Å; R868-D909 PolarHBondContact NH1-O 3.11Å; R868-L911 VanDerWaalsContact CZ-O 3.28Å; R868-L911 PolarHBondContact NH1-O 3.1Å; R868-L911 PolarHBondContact NH2-O 3.41Å
869A94.7Very high87.1Confident12 Ų1273.1 Ų73.110%0.09936%0.355CS..EExtended strand (participates in β ladder)trans-146148.9166.200000112.6L851 F852 R853 N880L851-A869 HydrophobicContact CD1-CB 4.03Å; F852-A869 CarbonylContact O-C 3.55Å; F852-A869 WeakPolarHBondContact O-CA 3.45Å; R853-A869 HydrophobicContact CB-CB 4.36Å; A869-N880 HydrophobicContact CB-CB 4.3Å; A869-N880 PolarHBondContact N-O 3.21Å; A869-N880 PolarHBondContact O-N 3.34Å
870V95.4Very high87.8Confident0 Ų066.3 Ų66.30%033%0.327CS..EExtended strand (participates in β ladder)trans-127.8121.6167.5-175.40000108W806 F852 F872 Y878 L904 L905 V908W806-V870 HydrophobicContact CH2-CG2 4.41Å; F852-V870 PolarHBondContact N-O 3.46Å; F852-V870 PolarHBondContact O-N 3.04Å; V870-F872 HydrophobicContact CB-CE2 4.44Å; V870-F872 HydrophobicContact CG1-CD2 4.33Å; V870-F872 HydrophobicContact CG1-CE1 4.4Å; V870-F872 HydrophobicContact CG1-CE2 3.63Å; V870-F872 HydrophobicContact CG1-CZ 3.67Å; V870-Y878 WeakPolarHBondContact CA-O 3.01Å; V870-L904 HydrophobicContact CG1-CD2 3.8Å; V870-L904 HydrophobicContact CG1-CG 4.31Å; V870-L905 HydrophobicContact CB-CD2 4.14Å; V870-L905 HydrophobicContact CG2-CD2 3.88Å; V870-V908 HydrophobicContact CG2-CB 4.13Å; V870-V908 HydrophobicContact CG2-CG1 4.02Å; V870-V908 HydrophobicContact CG2-CG2 3.94Å
871I95.3Very high88.6Confident41 Ų4158.4 Ų58.421%0.2129%0.285CS..EExtended strand (participates in β ladder)trans-117.1110-168.7-56166.8000108.7L851 F877 Y878L851-I871 HydrophobicContact CD1-CG1 3.78Å; I871-F877 CarbonylContact O-C 3.5Å; I871-F877 VanDerWaalsContact O-CA 3.22Å; I871-F877 WeakPolarHBondContact O-CA 3.04Å; I871-Y878 HydrophobicContact CB-CD2 4.39Å; I871-Y878 HydrophobicContact CG2-CD2 4.38Å; I871-Y878 PolarHBondContact N-O 2.87Å; I871-Y878 PolarHBondContact O-N 3.19Å
872F95.8Very high89.5Confident0 Ų055.7 Ų55.70%027%0.266CS..EExtended strand (participates in β ladder)trans-95.1116175.7-64-79.9000110L785 L789 L792 C849 V850 F852 V870 F877 V895 V901 L904L785-F872 HydrophobicContact CD1-CD1 3.76Å; L785-F872 HydrophobicContact CD1-CE1 4.16Å; L785-F872 HydrophobicContact CD2-CB 3.93Å; L785-F872 HydrophobicContact CD2-CD1 4Å; L785-F872 HydrophobicContact CD2-CG 4.42Å; L785-F872 HydrophobicContact CG-CD1 4.4Å; L789-F872 HydrophobicContact CD1-CB 3.93Å; L792-F872 HydrophobicContact CD2-CB 3.8Å; L792-F872 HydrophobicContact CD2-CD1 3.91Å; L792-F872 HydrophobicContact CD2-CD2 3.78Å; L792-F872 HydrophobicContact CD2-CE1 4.44Å; L792-F872 HydrophobicContact CD2-CE2 4.31Å; L792-F872 HydrophobicContact CD2-CG 3.54Å; C849-F872 CarbonylContact C-O 3.59Å; C849-F872 VanDerWaalsContact CA-O 3.27Å; C849-F872 WeakPolarHBondContact CA-O 3.49Å; C849-F872 PolarHBondContact SG-O 3.31Å; V850-F872 HydrophobicContact CB-CB 4.25Å; V850-F872 PolarHBondContact N-O 3.4Å; V850-F872 WeakPolarHBondContact O-CB 3.35Å; V850-F872 PolarHBondContact O-N 3.06Å; F852-F872 AromaticContact CD2-CD2 3.95Å; F852-F872 HydrophobicContact CD2-CD2 3.95Å; F852-F872 AromaticContact CD2-CE2 3.68Å; F852-F872 HydrophobicContact CD2-CE2 3.68Å; F852-F872 AromaticContact CE2-CD2 3.98Å; F852-F872 HydrophobicContact CE2-CD2 3.98Å; F852-F872 AromaticContact CE2-CE2 3.79Å; F852-F872 HydrophobicContact CE2-CE2 3.79Å; V870-F872 HydrophobicContact CB-CE2 4.44Å; V870-F872 HydrophobicContact CG1-CD2 4.33Å; V870-F872 HydrophobicContact CG1-CE1 4.4Å; V870-F872 HydrophobicContact CG1-CE2 3.63Å; V870-F872 HydrophobicContact CG1-CZ 3.67Å; F872-F877 HydrophobicContact CD1-CB 3.5Å; F872-F877 HydrophobicContact CD1-CG 4.47Å; F872-F877 HydrophobicContact CE1-CB 3.62Å; F872-F877 HydrophobicContact CE1-CG 4.16Å; F872-F877 HydrophobicContact CG-CB 4.36Å; F872-V895 HydrophobicContact CE1-CG1 4.1Å; F872-V895 HydrophobicContact CE1-CG2 4.38Å; F872-V901 HydrophobicContact CE1-CG2 4.26Å; F872-V901 HydrophobicContact CE2-CG1 3.91Å; F872-V901 HydrophobicContact CZ-CB 4.35Å; F872-V901 HydrophobicContact CZ-CG1 3.83Å; F872-V901 HydrophobicContact CZ-CG2 3.87Å; F872-L904 HydrophobicContact CE1-CD2 4.25Å; F872-L904 HydrophobicContact CZ-CD2 3.99Å
873K93.4Very high90.3Very high90 Ų9057.2 Ų57.239%0.39128%0.284SS..EExtended strand (participates in β ladder)trans-161.1150.7-175.1177.3167.6179.6-177.80110.9C849 K875 C876C849-K873 HydrophobicContact CB-CB 4.44Å; C849-K873 HydrophobicContact CB-CD 4.43Å; K873-K875 VanDerWaalsContact C-N 3.28Å; K873-K875 PolarHBondContact O-N 3.37Å; K873-K875 VanDerWaalsContact O-N 3.17Å; K873-C876 PolarHBondContact N-O 2.91Å; K873-C876 CarbonylContact O-C 3.47Å; K873-C876 WeakPolarHBondContact O-CA 3.44Å; K873-C876 PolarHBondContact O-N 2.69Å
874N88.9Confident90.9Very high117 Ų11750 Ų5063%0.62626%0.26SS*.THydrogen-bonded Turntrans55.930.3172.1-64.60.9000115.9C876N874-C876 PolarHBondContact O-N 3.33Å
875K89.9Confident91.4Very high169 Ų16949.6 Ų49.674%0.73525%0.253SS*.THydrogen-bonded Turntrans62.222.1-170.3-50.5-176.5180-176.30114.6C784 L785 K873C784-K875 WeakPolarHBondContact CA-O 3.36Å; L785-K875 PolarHBondContact N-O 3.03Å; K873-K875 VanDerWaalsContact C-N 3.28Å; K873-K875 PolarHBondContact O-N 3.37Å; K873-K875 VanDerWaalsContact O-N 3.17Å
876C91.7Very high91.7Very high33 Ų3345.6 Ų45.622%0.22323%0.227CC..EExtended strand (participates in β ladder)trans-127.2173.1173.1-69.10000110.5T783 K873 N874 Y878T783-C876 WeakPolarHBondContact O-CA 3.39Å; T783-C876 VanDerWaalsContact O-CB 3.22Å; T783-C876 WeakPolarHBondContact O-CB 3.26Å; T783-C876 PolarHBondContact O-SG 2.92Å; K873-C876 PolarHBondContact N-O 2.91Å; K873-C876 CarbonylContact O-C 3.47Å; K873-C876 WeakPolarHBondContact O-CA 3.44Å; K873-C876 PolarHBondContact O-N 2.69Å; N874-C876 PolarHBondContact O-N 3.33Å; C876-Y878 HydrophobicContact CB-CE2 4.22Å
877F93.4Very high91.7Very high5 Ų543.7 Ų43.72%0.02222%0.222CC..EExtended strand (participates in β ladder)trans-133.4150.7165.273.3-96.6000111.5T783 I871 F872 P892 V895 L904T783-F877 VanDerWaalsContact CB-O 3.27Å; T783-F877 WeakPolarHBondContact CB-O 3.24Å; T783-F877 HydrophobicContact CG2-CD1 4.49Å; T783-F877 HydrophobicContact CG2-CD2 4.25Å; T783-F877 HydrophobicContact CG2-CE1 3.92Å; T783-F877 HydrophobicContact CG2-CE2 3.64Å; T783-F877 HydrophobicContact CG2-CZ 3.45Å; T783-F877 VanDerWaalsContact CG2-CZ 3.45Å; T783-F877 PolarHBondContact OG1-O 2.99Å; I871-F877 CarbonylContact O-C 3.5Å; I871-F877 VanDerWaalsContact O-CA 3.22Å; I871-F877 WeakPolarHBondContact O-CA 3.04Å; F872-F877 HydrophobicContact CD1-CB 3.5Å; F872-F877 HydrophobicContact CD1-CG 4.47Å; F872-F877 HydrophobicContact CE1-CB 3.62Å; F872-F877 HydrophobicContact CE1-CG 4.16Å; F872-F877 HydrophobicContact CG-CB 4.36Å; F877-P892 WeakPolarHBondContact CE1-O 3.49Å; F877-P892 WeakPolarHBondContact CZ-O 3.26Å; F877-V895 HydrophobicContact CD1-CB 4.43Å; F877-V895 HydrophobicContact CD1-CG2 3.79Å; F877-V895 HydrophobicContact CE1-CG2 3.68Å; F877-V895 HydrophobicContact CZ-CG2 4.45Å; F877-L904 HydrophobicContact CD1-CD2 4.48Å; F877-L904 HydrophobicContact CD2-CD2 3.63Å; F877-L904 HydrophobicContact CE1-CD2 4.46Å; F877-L904 HydrophobicContact CE2-CD1 3.97Å; F877-L904 HydrophobicContact CE2-CD2 3.61Å; F877-L904 HydrophobicContact CE2-CG 4.46Å; F877-L904 HydrophobicContact CG-CD2 4.09Å; F877-L904 HydrophobicContact CZ-CD1 4.42Å; F877-L904 HydrophobicContact CZ-CD2 4.04Å
878Y92.9Very high91.5Very high79 Ų7943.9 Ų43.931%0.3122%0.223SC..EExtended strand (participates in β ladder)trans-128.2127.5-179.3-50.1-88.5000109.1V870 I871 C876 H885V870-Y878 WeakPolarHBondContact CA-O 3.01Å; I871-Y878 HydrophobicContact CB-CD2 4.39Å; I871-Y878 HydrophobicContact CG2-CD2 4.38Å; I871-Y878 PolarHBondContact N-O 2.87Å; I871-Y878 PolarHBondContact O-N 3.19Å; C876-Y878 HydrophobicContact CB-CE2 4.22Å; Y878-H885 AromaticContact CD1-CE1 3.79Å; Y878-H885 AromaticContact CD1-NE2 3.74Å
879A93.4Very high91Very high2 Ų245.7 Ų45.72%0.01723%0.233CC..EExtended strand (participates in β ladder)trans-98.3138.8172.900000110.2H885 V886 L888 V908A879-H885 PolarHBondContact O-ND1 3.39Å; A879-V886 HydrophobicContact CB-CG2 3.97Å; A879-V886 WeakPolarHBondContact O-CG2 3.34Å; A879-V886 PolarHBondContact O-N 3.06Å; A879-L888 HydrophobicContact CB-CD1 3.77Å; A879-L888 HydrophobicContact CB-CD2 4.46Å; A879-L888 HydrophobicContact CB-CG 4.06Å; A879-V908 HydrophobicContact CB-CG2 4.2Å
880N92.3Very high90Very high40 Ų4047.9 Ų47.921%0.21426%0.257CS..EExtended strand (participates in β ladder)trans-125.1134.2171.9-66.7-0.3000109.8R868 A869 K884 H885R868-N880 WeakPolarHBondContact CA-O 3.44Å; A869-N880 HydrophobicContact CB-CB 4.3Å; A869-N880 PolarHBondContact N-O 3.21Å; A869-N880 PolarHBondContact O-N 3.34Å; N880-K884 CarbonylContact C-O 3.48Å; N880-K884 WeakPolarHBondContact CA-O 3.48Å; N880-H885 WeakPolarHBondContact OD1-CA 3.48Å; N880-H885 PolarHBondContact OD1-ND1 3.43Å
881I92Very high89.3Confident0 Ų048.6 Ų48.60%026%0.263CS..EExtended strand (participates in β ladder)trans-126.9125.5177.9-62.5-176000108.4G883 K884 V886 L888 V908 L911 I913 V918I881-G883 PolarHBondContact O-N 3.19Å; I881-G883 VanDerWaalsContact O-N 3.17Å; I881-K884 PolarHBondContact N-O 3.49Å; I881-K884 PolarHBondContact O-N 3.45Å; I881-V886 HydrophobicContact CB-CG1 4.41Å; I881-V886 HydrophobicContact CB-CG2 4.28Å; I881-V886 HydrophobicContact CD1-CG2 3.93Å; I881-V886 HydrophobicContact CG1-CG2 3.77Å; I881-L888 HydrophobicContact CD1-CD2 4.27Å; I881-V908 HydrophobicContact CG1-CG1 4.5Å; I881-L911 HydrophobicContact CD1-CB 4.04Å; I881-I913 HydrophobicContact CB-CG1 4.25Å; I881-I913 HydrophobicContact CG2-CG1 3.76Å; I881-V918 HydrophobicContact CD1-CG1 4.25Å; I881-V918 HydrophobicContact CD1-CG2 4.11Å
882D88.9Confident88.5Confident54 Ų5448.6 Ų48.629%0.28927%0.265SS..THydrogen-bonded Turntrans46.542.7-179.4-33.2-39.8000112.7D867 R868 I913D867-D882 VanDerWaalsContact O-CA 3.27Å; D867-D882 WeakPolarHBondContact O-CA 3.5Å; D867-D882 PolarHBondContact O-N 2.77Å; R868-D882 IonicContact CZ-OD1 2.66Å; R868-D882 IonicContact NE-OD1 3.86Å; R868-D882 PolarHBondContact NE-OD1 3.26Å; R868-D882 IonicContact NH2-OD1 2.6Å; R868-D882 PolarHBondContact NH2-OD1 3.03Å; R868-D882 IonicContact NH2-OD2 2.78Å; D882-I913 HydrophobicContact CB-CD1 3.74Å
883G84.5Confident88Confident44 Ų4452.3 Ų52.345%0.45428%0.283SS..THydrogen-bonded Turntrans86.4-7.5-179.400000116.2I881I881-G883 PolarHBondContact O-N 3.19Å; I881-G883 VanDerWaalsContact O-N 3.17Å
884K88.3Confident87.8Confident108 Ų10851.2 Ų51.247%0.4728%0.284SS..EExtended strand (participates in β ladder)trans-101.5144.2-179.5-54.8-174.2-168.9175.50111.4N880 I881 I913 L920N880-K884 CarbonylContact C-O 3.48Å; N880-K884 WeakPolarHBondContact CA-O 3.48Å; I881-K884 PolarHBondContact N-O 3.49Å; I881-K884 PolarHBondContact O-N 3.45Å; K884-I913 HydrophobicContact CD-CD1 3.86Å; K884-I913 HydrophobicContact CG-CD1 4.22Å; K884-L920 HydrophobicContact CB-CD2 3.73Å; K884-L920 HydrophobicContact CD-CD2 3.61Å; K884-L920 HydrophobicContact CG-CD2 4.31Å
885H90.1Very high87.9Confident61 Ų6145.7 Ų45.728%0.28225%0.254SS..EExtended strand (participates in β ladder)trans-78.4136.3173.5-177.132.3000110.9Y878 A879 N880 V921Y878-H885 AromaticContact CD1-CE1 3.79Å; Y878-H885 AromaticContact CD1-NE2 3.74Å; A879-H885 PolarHBondContact O-ND1 3.39Å; N880-H885 WeakPolarHBondContact OD1-CA 3.48Å; N880-H885 PolarHBondContact OD1-ND1 3.43Å; H885-V921 HydrophobicContact CB-CB 4.42Å; H885-V921 PolarHBondContact O-N 3.03Å
886V90.7Very high88Confident3 Ų339.4 Ų39.42%0.01823%0.234CC..EExtended strand (participates in β ladder)trans-137.1147-174.2-630000113.1A879 I881 L888 V918 E919 L920A879-V886 HydrophobicContact CB-CG2 3.97Å; A879-V886 WeakPolarHBondContact O-CG2 3.34Å; A879-V886 PolarHBondContact O-N 3.06Å; I881-V886 HydrophobicContact CB-CG1 4.41Å; I881-V886 HydrophobicContact CB-CG2 4.28Å; I881-V886 HydrophobicContact CD1-CG2 3.93Å; I881-V886 HydrophobicContact CG1-CG2 3.77Å; V886-L888 HydrophobicContact CG2-CD2 3.87Å; V886-V918 HydrophobicContact CB-CG1 3.71Å; V886-V918 HydrophobicContact CG1-CG1 3.47Å; V886-V918 VanDerWaalsContact CG1-CG1 3.47Å; V886-V918 HydrophobicContact CG2-CG1 4.18Å; V886-E919 CarbonylContact C-O 3.5Å; V886-E919 VanDerWaalsContact CA-O 3.25Å; V886-E919 WeakPolarHBondContact CA-O 3.47Å; V886-L920 HydrophobicContact CG1-CD2 3.99Å
887N89.1Confident88.1Confident31 Ų3140.9 Ų40.917%0.16624%0.242CC..EExtended strand (participates in β ladder)trans-90.1147.3160.2-69.8-22.8000108.7E919 V921N887-E919 HydrophobicContact CB-CB 4.15Å; N887-E919 PolarHBondContact N-O 2.82Å; N887-E919 PolarHBondContact ND2-OE2 3.05Å; N887-E919 PolarHBondContact O-N 3.23Å; N887-V921 HydrophobicContact CB-CG2 4.29Å; N887-V921 WeakPolarHBondContact OD1-CG2 3.49Å
888L88.2Confident88.1Confident16 Ų1643.9 Ų43.98%0.08426%0.257CS..EExtended strand (participates in β ladder)trans-116.8101.1-177.2-56.7178.1000109.8A879 I881 V886 G890 A891 L904 I907 V908 L911 V918A879-L888 HydrophobicContact CB-CD1 3.77Å; A879-L888 HydrophobicContact CB-CD2 4.46Å; A879-L888 HydrophobicContact CB-CG 4.06Å; I881-L888 HydrophobicContact CD1-CD2 4.27Å; V886-L888 HydrophobicContact CG2-CD2 3.87Å; L888-G890 PolarHBondContact O-N 2.91Å; L888-A891 HydrophobicContact CB-CB 3.56Å; L888-A891 HydrophobicContact CD1-CB 4.29Å; L888-A891 PolarHBondContact O-N 3.26Å; L888-L904 HydrophobicContact CD1-CD1 3.71Å; L888-I907 HydrophobicContact CD1-CG2 4.48Å; L888-V908 HydrophobicContact CD1-CG2 3.49Å; L888-V908 VanDerWaalsContact CD1-CG2 3.49Å; L888-L911 HydrophobicContact CD2-CD1 3.95Å; L888-V918 HydrophobicContact CD2-CG2 4.13Å
889L82.4Confident88.1Confident55 Ų5546.1 Ų46.129%0.28827%0.269SS..THydrogen-bonded Turntrans-71123.2-177.8-57.5176.8000109.9A891 I917L889-A891 VanDerWaalsContact C-N 3.28Å; L889-A891 PolarHBondContact O-N 2.79Å; L889-I917 HydrophobicContact CB-CB 4.22Å; L889-I917 HydrophobicContact CB-CG2 4.47Å; L889-I917 PolarHBondContact N-O 3.4Å; L889-I917 WeakPolarHBondContact O-CB 3.47Å
890G72.6Confident88Confident58 Ų5847.7 Ų47.760%0.59828%0.277SS*.THydrogen-bonded Turntrans80.11.7-177.800000115.2L888L888-G890 PolarHBondContact O-N 2.91Å
891A80.6Confident88.1Confident15 Ų1545.8 Ų45.812%0.12427%0.267CS..SBendtrans-77.7165.6162.300000110.7L888 L889 E893 L904 I907L888-A891 HydrophobicContact CB-CB 3.56Å; L888-A891 HydrophobicContact CD1-CB 4.29Å; L888-A891 PolarHBondContact O-N 3.26Å; L889-A891 VanDerWaalsContact C-N 3.28Å; L889-A891 PolarHBondContact O-N 2.79Å; A891-E893 PolarHBondContact O-N 3.39Å; A891-E893 VanDerWaalsContact O-N 3.09Å; A891-L904 HydrophobicContact CB-CD1 4.5Å; A891-I907 HydrophobicContact CB-CD1 4.2Å; A891-I907 HydrophobicContact CB-CG2 4.46Å
892P79.3Confident88.2Confident41 Ų4147.4 Ų47.427%0.26627%0.274SS..  trans-62.1111.5176.8-2233.8000112F877 T894 I903F877-P892 WeakPolarHBondContact CE1-O 3.49Å; F877-P892 WeakPolarHBondContact CZ-O 3.26Å; P892-T894 PolarHBondContact O-N 2.9Å; P892-I903 HydrophobicContact CG-CG2 4.49Å
893E85.2Confident88.4Confident77 Ų7749 Ų4936%0.3628%0.282SS..SBendtrans-69.1-25.3173.2-175.6169.4179.600111.8Q781 R782 T783 C784 A891Q781-E893 HydrophobicContact CG-CG 4.13Å; Q781-E893 WeakPolarHBondContact CG-OE1 3.46Å; Q781-E893 WeakPolarHBondContact CG-OE2 3.35Å; Q781-E893 PolarHBondContact NE2-OE2 3.28Å; R782-E893 PolarHBondContact N-OE1 2.97Å; T783-E893 CarbonylContact C-O 3.58Å; T783-E893 WeakPolarHBondContact CA-O 3.19Å; C784-E893 PolarHBondContact N-O 3.45Å; C784-E893 PolarHBondContact SG-O 2.84Å; A891-E893 PolarHBondContact O-N 3.39Å; A891-E893 VanDerWaalsContact O-N 3.09Å
894T88.9Confident88.8Confident68 Ų6847 Ų4742%0.41726%0.261SS..EExtended strand (participates in β ladder)trans-109.4129.3172.6-51.10000110.4C784 E786 P892 A896C784-T894 PolarHBondContact SG-OG1 3.01Å; C784-T894 VanDerWaalsContact SG-OG1 3.33Å; E786-T894 HydrophobicContact CB-CG2 4.41Å; P892-T894 PolarHBondContact O-N 2.9Å; T894-A896 HydrophobicContact CG2-CB 4.48Å
895V91.5Very high89.1Confident0 Ų041.8 Ų41.80%024%0.238CC..EExtended strand (participates in β ladder)trans-110.4105.5168.6172.60000108.4C784 L785 E786 L787 F872 F877 D900 V901 L904C784-V895 PolarHBondContact O-N 2.79Å; L785-V895 HydrophobicContact CD1-CB 3.91Å; L785-V895 HydrophobicContact CD1-CG1 3.58Å; E786-V895 PolarHBondContact N-O 3.06Å; L787-V895 PolarHBondContact N-O 3.49Å; F872-V895 HydrophobicContact CE1-CG1 4.1Å; F872-V895 HydrophobicContact CE1-CG2 4.38Å; F877-V895 HydrophobicContact CD1-CB 4.43Å; F877-V895 HydrophobicContact CD1-CG2 3.79Å; F877-V895 HydrophobicContact CE1-CG2 3.68Å; F877-V895 HydrophobicContact CZ-CG2 4.45Å; V895-D900 HydrophobicContact CB-CB 4.44Å; V895-D900 HydrophobicContact CG1-CB 4.19Å; V895-D900 HydrophobicContact CG2-CB 4.33Å; V895-V901 HydrophobicContact CG1-CG2 3.53Å; V895-L904 HydrophobicContact CG2-CD2 4.18Å
896A92.2Very high89.3Confident38 Ų3841.6 Ų41.631%0.31424%0.239SC..  trans-112.3-28.1-179.200000112.4E786 T894 D900E786-A896 HydrophobicContact CB-CB 4.18Å; T894-A896 HydrophobicContact CG2-CB 4.48Å; A896-D900 PolarHBondContact N-OD2 3.41Å
897T93.3Very high89.3Confident63 Ų6343.6 Ų43.639%0.38725%0.249SC..SBendtrans-116.6165.7-177.589.20000112.5K899 D900T897-K899 VanDerWaalsContact C-N 3.26Å; T897-K899 PolarHBondContact OG1-N 3.22Å; T897-K899 VanDerWaalsContact OG1-N 3.07Å; T897-D900 PolarHBondContact N-OD2 3.11Å; T897-D900 PolarHBondContact O-N 3.32Å; T897-D900 PolarHBondContact OG1-N 3.08Å; T897-D900 VanDerWaalsContact OG1-N 3.15Å; T897-D900 PolarHBondContact OG1-OD1 3.41Å; T897-D900 PolarHBondContact OG1-OD2 3.19Å
898I93.3Very high89.5Confident68 Ų6842.1 Ų42.135%0.34924%0.241SC..Hα-helixtrans-68.5-29.1172.4-57.4167.2000110.6L787 V795 I799 V901 E902L787-I898 HydrophobicContact CD2-CG1 4.35Å; V795-I898 HydrophobicContact CB-CD1 4.35Å; V795-I898 HydrophobicContact CG1-CD1 4.11Å; V795-I898 HydrophobicContact CG2-CD1 3.87Å; V795-I898 HydrophobicContact CG2-CG1 4.07Å; V795-I898 HydrophobicContact CG2-CG2 4.42Å; I799-I898 HydrophobicContact CD1-CG2 3.87Å; I799-I898 HydrophobicContact CG1-CG2 3.86Å; I898-V901 WeakPolarHBondContact O-CB 3.45Å; I898-V901 PolarHBondContact O-N 2.94Å; I898-E902 PolarHBondContact O-N 2.62Å; I898-E902 VanDerWaalsContact O-N 3.16Å
899K92.7Very high89.7Confident127 Ų12743 Ų4355%0.55225%0.246SC*.Hα-helixtrans-69.1-35.4178-69.3-73.5158.7-162.90111.7T897 V901 E902 I903T897-K899 VanDerWaalsContact C-N 3.26Å; T897-K899 PolarHBondContact OG1-N 3.22Å; T897-K899 VanDerWaalsContact OG1-N 3.07Å; K899-V901 PolarHBondContact O-N 2.72Å; K899-E902 WeakPolarHBondContact CD-OE2 3.28Å; K899-E902 WeakPolarHBondContact CE-OE2 3.47Å; K899-E902 IonicContact NZ-OE1 3.83Å; K899-E902 IonicContact NZ-OE2 2.62Å; K899-E902 PolarHBondContact NZ-OE2 2.67Å; K899-E902 PolarHBondContact O-N 3.34Å; K899-E902 VanDerWaalsContact O-N 3.16Å; K899-I903 VanDerWaalsContact O-CG1 3.29Å; K899-I903 WeakPolarHBondContact O-CG1 3.49Å; K899-I903 PolarHBondContact O-N 3.32Å
900D92.8Very high90Very high35 Ų3549.1 Ų49.119%0.18727%0.266CS..Hα-helixtrans-62-34.4175-43-14.3000110.7V895 A896 T897 L904V895-D900 HydrophobicContact CB-CB 4.44Å; V895-D900 HydrophobicContact CG1-CB 4.19Å; V895-D900 HydrophobicContact CG2-CB 4.33Å; A896-D900 PolarHBondContact N-OD2 3.41Å; T897-D900 PolarHBondContact N-OD2 3.11Å; T897-D900 PolarHBondContact O-N 3.32Å; T897-D900 PolarHBondContact OG1-N 3.08Å; T897-D900 VanDerWaalsContact OG1-N 3.15Å; T897-D900 PolarHBondContact OG1-OD1 3.41Å; T897-D900 PolarHBondContact OG1-OD2 3.19Å; D900-L904 WeakPolarHBondContact O-CB 3.41Å; D900-L904 PolarHBondContact O-N 3.35Å
901V94.3Very high90.9Very high0 Ų047.6 Ų47.60%024%0.243CC..Hα-helixtrans-68.9-44.7173.9-179.40000111.4L792 I799 F852 F872 V895 I898 K899 I903 L904 L905L792-V901 HydrophobicContact CD1-CG1 4.48Å; L792-V901 HydrophobicContact CD1-CG2 4.01Å; I799-V901 HydrophobicContact CD1-CB 4.17Å; I799-V901 HydrophobicContact CD1-CG1 3.78Å; I799-V901 HydrophobicContact CG2-CG1 4.31Å; F852-V901 HydrophobicContact CE2-CG1 4.19Å; F852-V901 HydrophobicContact CZ-CG1 4.47Å; F872-V901 HydrophobicContact CE1-CG2 4.26Å; F872-V901 HydrophobicContact CE2-CG1 3.91Å; F872-V901 HydrophobicContact CZ-CB 4.35Å; F872-V901 HydrophobicContact CZ-CG1 3.83Å; F872-V901 HydrophobicContact CZ-CG2 3.87Å; V895-V901 HydrophobicContact CG1-CG2 3.53Å; I898-V901 WeakPolarHBondContact O-CB 3.45Å; I898-V901 PolarHBondContact O-N 2.94Å; K899-V901 PolarHBondContact O-N 2.72Å; V901-I903 VanDerWaalsContact C-N 3.33Å; V901-I903 PolarHBondContact O-N 3.4Å; V901-L904 PolarHBondContact O-N 2.76Å; V901-L905 HydrophobicContact CG1-CD1 4.06Å; V901-L905 HydrophobicContact CG1-CG 4.44Å; V901-L905 VanDerWaalsContact O-CG 3.25Å; V901-L905 WeakPolarHBondContact O-CG 3.49Å; V901-L905 PolarHBondContact O-N 3.5Å
902E94.4Very high91.3Very high34 Ų3448.5 Ų48.516%0.15925%0.249CC..Hα-helixtrans-60.1-43.4175.7-67.5-178.8166.200111.6I799 K800 I898 K899 L905 D906I799-E902 HydrophobicContact CG2-CG 3.6Å; K800-E902 HydrophobicContact CB-CG 4.34Å; K800-E902 WeakPolarHBondContact CB-OE1 3.32Å; K800-E902 PolarHBondContact N-OE1 3.03Å; I898-E902 PolarHBondContact O-N 2.62Å; I898-E902 VanDerWaalsContact O-N 3.16Å; K899-E902 WeakPolarHBondContact CD-OE2 3.28Å; K899-E902 WeakPolarHBondContact CE-OE2 3.47Å; K899-E902 IonicContact NZ-OE1 3.83Å; K899-E902 IonicContact NZ-OE2 2.62Å; K899-E902 PolarHBondContact NZ-OE2 2.67Å; K899-E902 PolarHBondContact O-N 3.34Å; K899-E902 VanDerWaalsContact O-N 3.16Å; E902-L905 PolarHBondContact O-N 2.91Å; E902-D906 PolarHBondContact O-N 3.22Å
903I92.4Very high91.6Very high88 Ų8848.6 Ų48.645%0.45125%0.247SC..Hα-helixtrans-64.4-46.6176.4-67.9163.3000110.9P892 K899 V901 L905 D906 I907P892-I903 HydrophobicContact CG-CG2 4.49Å; K899-I903 VanDerWaalsContact O-CG1 3.29Å; K899-I903 WeakPolarHBondContact O-CG1 3.49Å; K899-I903 PolarHBondContact O-N 3.32Å; V901-I903 VanDerWaalsContact C-N 3.33Å; V901-I903 PolarHBondContact O-N 3.4Å; I903-L905 VanDerWaalsContact C-N 3.28Å; I903-L905 PolarHBondContact O-N 2.92Å; I903-D906 PolarHBondContact O-N 3.07Å; I903-I907 HydrophobicContact CG2-CD1 3.79Å; I903-I907 HydrophobicContact CG2-CG1 4.45Å; I903-I907 VanDerWaalsContact O-CG1 3.29Å; I903-I907 WeakPolarHBondContact O-CG1 3.24Å; I903-I907 PolarHBondContact O-N 3.18Å
904L93.3Very high91.7Very high0 Ų050 Ų500%027%0.265CS..Hα-helixtrans-61.2-36.717817961.4000112.1V870 F872 F877 L888 A891 V895 D900 V901 V908V870-L904 HydrophobicContact CG1-CD2 3.8Å; V870-L904 HydrophobicContact CG1-CG 4.31Å; F872-L904 HydrophobicContact CE1-CD2 4.25Å; F872-L904 HydrophobicContact CZ-CD2 3.99Å; F877-L904 HydrophobicContact CD1-CD2 4.48Å; F877-L904 HydrophobicContact CD2-CD2 3.63Å; F877-L904 HydrophobicContact CE1-CD2 4.46Å; F877-L904 HydrophobicContact CE2-CD1 3.97Å; F877-L904 HydrophobicContact CE2-CD2 3.61Å; F877-L904 HydrophobicContact CE2-CG 4.46Å; F877-L904 HydrophobicContact CG-CD2 4.09Å; F877-L904 HydrophobicContact CZ-CD1 4.42Å; F877-L904 HydrophobicContact CZ-CD2 4.04Å; L888-L904 HydrophobicContact CD1-CD1 3.71Å; A891-L904 HydrophobicContact CB-CD1 4.5Å; V895-L904 HydrophobicContact CG2-CD2 4.18Å; D900-L904 WeakPolarHBondContact O-CB 3.41Å; D900-L904 PolarHBondContact O-N 3.35Å; V901-L904 PolarHBondContact O-N 2.76Å; L904-V908 HydrophobicContact CD1-CG2 4.36Å; L904-V908 WeakPolarHBondContact O-CB 3.19Å; L904-V908 VanDerWaalsContact O-CG2 3.3Å; L904-V908 WeakPolarHBondContact O-CG2 3.45Å; L904-V908 PolarHBondContact O-N 3.38Å
905L94.6Very high91.6Very high0 Ų048.2 Ų48.20%026%0.256CS..Hα-helixtrans-68.5-43.9175.3-69.4170.2000111.9I799 V801 P802 W806 F852 V870 V901 E902 I903 I907 V908 D909I799-L905 HydrophobicContact CG2-CD1 4.09Å; V801-L905 HydrophobicContact CG1-CD1 4.39Å; P802-L905 HydrophobicContact CG-CB 4.04Å; W806-L905 HydrophobicContact CE3-CD2 3.97Å; W806-L905 HydrophobicContact CH2-CD2 3.86Å; W806-L905 HydrophobicContact CZ2-CD2 4.48Å; W806-L905 HydrophobicContact CZ3-CD2 3.59Å; F852-L905 HydrophobicContact CB-CD2 3.6Å; F852-L905 HydrophobicContact CD1-CD1 3.94Å; F852-L905 HydrophobicContact CD1-CD2 4.45Å; F852-L905 HydrophobicContact CE1-CD1 4.31Å; F852-L905 HydrophobicContact CG-CD1 4.13Å; F852-L905 HydrophobicContact CG-CD2 3.96Å; V870-L905 HydrophobicContact CB-CD2 4.14Å; V870-L905 HydrophobicContact CG2-CD2 3.88Å; V901-L905 HydrophobicContact CG1-CD1 4.06Å; V901-L905 HydrophobicContact CG1-CG 4.44Å; V901-L905 VanDerWaalsContact O-CG 3.25Å; V901-L905 WeakPolarHBondContact O-CG 3.49Å; V901-L905 PolarHBondContact O-N 3.5Å; E902-L905 PolarHBondContact O-N 2.91Å; I903-L905 VanDerWaalsContact C-N 3.28Å; I903-L905 PolarHBondContact O-N 2.92Å; L905-I907 VanDerWaalsContact C-N 3.34Å; L905-I907 PolarHBondContact O-N 3.45Å; L905-V908 PolarHBondContact O-N 3.17Å; L905-D909 WeakPolarHBondContact O-CB 3.26Å; L905-D909 PolarHBondContact O-N 2.93Å
906D93Very high91.2Very high56 Ų5655.5 Ų55.530%0.29929%0.294SS..Hα-helixtrans-63.1-38.7176.5-174.344.6000112.3P802 E902 I903 D909 R910P802-D906 HydrophobicContact CG-CB 4.21Å; E902-D906 PolarHBondContact O-N 3.22Å; I903-D906 PolarHBondContact O-N 3.07Å; D906-D909 PolarHBondContact O-N 3.32Å; D906-R910 VanDerWaalsContact O-CG 3.31Å; D906-R910 WeakPolarHBondContact O-CG 3.12Å; D906-R910 PolarHBondContact O-N 3.18Å; D906-R910 IonicContact OD1-CZ 3.19Å; D906-R910 VanDerWaalsContact OD1-CZ 3.27Å; D906-R910 IonicContact OD1-NE 3.02Å; D906-R910 PolarHBondContact OD1-NE 3.19Å; D906-R910 IonicContact OD1-NH2 3.63Å; D906-R910 PolarHBondContact OD1-NH2 3.02Å; D906-R910 IonicContact OD2-CZ 3.33Å; D906-R910 IonicContact OD2-NE 3.11Å; D906-R910 PolarHBondContact OD2-NE 3.42Å; D906-R910 IonicContact OD2-NH2 2.72Å; D906-R910 PolarHBondContact OD2-NH2 3.28Å
907I91.8Very high90.8Very high46 Ų4656.6 Ų56.624%0.23629%0.294CS..Hα-helixtrans-60-52.9170.7-69.3167.9000110.5L888 A891 I903 L905 D909 R910 L911L888-I907 HydrophobicContact CD1-CG2 4.48Å; A891-I907 HydrophobicContact CB-CD1 4.2Å; A891-I907 HydrophobicContact CB-CG2 4.46Å; I903-I907 HydrophobicContact CG2-CD1 3.79Å; I903-I907 HydrophobicContact CG2-CG1 4.45Å; I903-I907 VanDerWaalsContact O-CG1 3.29Å; I903-I907 WeakPolarHBondContact O-CG1 3.24Å; I903-I907 PolarHBondContact O-N 3.18Å; L905-I907 VanDerWaalsContact C-N 3.34Å; L905-I907 PolarHBondContact O-N 3.45Å; I907-D909 VanDerWaalsContact C-N 3.28Å; I907-D909 PolarHBondContact O-N 3.47Å; I907-R910 PolarHBondContact O-N 3.17Å; I907-L911 HydrophobicContact CG2-CD1 3.5Å; I907-L911 HydrophobicContact CG2-CG 4.24Å; I907-L911 VanDerWaalsContact O-CG 3.26Å; I907-L911 WeakPolarHBondContact O-CG 3.45Å; I907-L911 PolarHBondContact O-N 3.17Å
908V92.6Very high90.6Very high0 Ų054.3 Ų54.30%028%0.28CS..Hα-helixtrans-67.7-25.2-177.31720000113.1W806 R868 V870 A879 I881 L888 L904 L905W806-V908 HydrophobicContact CH2-CB 4.47Å; W806-V908 HydrophobicContact CH2-CG1 3.92Å; W806-V908 HydrophobicContact CZ2-CG1 4.39Å; R868-V908 HydrophobicContact CB-CG1 4.03Å; R868-V908 HydrophobicContact CG-CG1 4.45Å; R868-V908 PolarHBondContact NH1-O 3.37Å; V870-V908 HydrophobicContact CG2-CB 4.13Å; V870-V908 HydrophobicContact CG2-CG1 4.02Å; V870-V908 HydrophobicContact CG2-CG2 3.94Å; A879-V908 HydrophobicContact CB-CG2 4.2Å; I881-V908 HydrophobicContact CG1-CG1 4.5Å; L888-V908 HydrophobicContact CD1-CG2 3.49Å; L888-V908 VanDerWaalsContact CD1-CG2 3.49Å; L904-V908 HydrophobicContact CD1-CG2 4.36Å; L904-V908 WeakPolarHBondContact O-CB 3.19Å; L904-V908 VanDerWaalsContact O-CG2 3.3Å; L904-V908 WeakPolarHBondContact O-CG2 3.45Å; L904-V908 PolarHBondContact O-N 3.38Å; L905-V908 PolarHBondContact O-N 3.17Å
909D92.4Very high90.3Very high35 Ų3555.2 Ų55.219%0.18728%0.283CS..Hα-helixtrans-68.7-40.6174.8-16371.9000112.2P802 W806 R854 R868 L905 D906 I907P802-D909 HydrophobicContact CB-CB 3.86Å; P802-D909 HydrophobicContact CG-CB 3.94Å; W806-D909 HydrophobicContact CZ2-CB 4.2Å; W806-D909 PolarHBondContact NE1-OD1 3.46Å; R854-D909 WeakPolarHBondContact CD-OD1 3.34Å; R854-D909 IonicContact CZ-OD1 3.72Å; R854-D909 IonicContact NE-OD1 2.6Å; R854-D909 PolarHBondContact NH1-O 3.5Å; R854-D909 IonicContact NH1-OD1 3.4Å; R854-D909 PolarHBondContact NH1-OD1 3.5Å; R854-D909 IonicContact NH1-OD2 2.9Å; R868-D909 PolarHBondContact NH1-O 3.11Å; L905-D909 WeakPolarHBondContact O-CB 3.26Å; L905-D909 PolarHBondContact O-N 2.93Å; D906-D909 PolarHBondContact O-N 3.32Å; I907-D909 VanDerWaalsContact C-N 3.28Å; I907-D909 PolarHBondContact O-N 3.47Å
910R89.3Confident90.1Very high183 Ų18352.2 Ų52.269%0.69127%0.273SS*.Hα-helixtrans-86.1-25.5-173.6-64175.5-165.3-144.712.7115.3D906 I907D906-R910 VanDerWaalsContact O-CG 3.31Å; D906-R910 WeakPolarHBondContact O-CG 3.12Å; D906-R910 PolarHBondContact O-N 3.18Å; D906-R910 IonicContact OD1-CZ 3.19Å; D906-R910 VanDerWaalsContact OD1-CZ 3.27Å; D906-R910 IonicContact OD1-NE 3.02Å; D906-R910 PolarHBondContact OD1-NE 3.19Å; D906-R910 IonicContact OD1-NH2 3.63Å; D906-R910 PolarHBondContact OD1-NH2 3.02Å; D906-R910 IonicContact OD2-CZ 3.33Å; D906-R910 IonicContact OD2-NE 3.11Å; D906-R910 PolarHBondContact OD2-NE 3.42Å; D906-R910 IonicContact OD2-NH2 2.72Å; D906-R910 PolarHBondContact OD2-NH2 3.28Å; I907-R910 PolarHBondContact O-N 3.17Å
911L90.5Very high89.6Confident25 Ų2553 Ų5313%0.13128%0.279CS..  trans-74.4174.7-175.3-71.1175.6000113.9R868 I881 L888 I907 I917 V918R868-L911 VanDerWaalsContact CZ-O 3.28Å; R868-L911 PolarHBondContact NH1-O 3.1Å; R868-L911 PolarHBondContact NH2-O 3.41Å; I881-L911 HydrophobicContact CD1-CB 4.04Å; L888-L911 HydrophobicContact CD2-CD1 3.95Å; I907-L911 HydrophobicContact CG2-CD1 3.5Å; I907-L911 HydrophobicContact CG2-CG 4.24Å; I907-L911 VanDerWaalsContact O-CG 3.26Å; I907-L911 WeakPolarHBondContact O-CG 3.45Å; I907-L911 PolarHBondContact O-N 3.17Å; L911-I917 HydrophobicContact CD2-CD1 3.75Å; L911-I917 HydrophobicContact CD2-CG1 3.77Å; L911-V918 HydrophobicContact CB-CG2 4.09Å; L911-V918 HydrophobicContact CD1-CG2 3.82Å; L911-V918 HydrophobicContact CD2-CG2 4.45Å; L911-V918 HydrophobicContact CG-CG2 4.35Å
912S88.9Confident88.7Confident34 Ų3459.3 Ų59.324%0.23831%0.312CS..  trans-139.4161.717266.50000110.5S914 S915 V918S912-S914 PolarHBondContact O-N 3.42Å; S912-S914 PolarHBondContact OG-N 3.33Å; S912-S914 PolarHBondContact OG-OG 2.8Å; S912-S915 PolarHBondContact N-OG 3.16Å; S912-S915 VanDerWaalsContact O-CB 3.25Å; S912-S915 WeakPolarHBondContact O-CB 3.44Å; S912-S915 PolarHBondContact O-N 3.5Å; S912-S915 PolarHBondContact O-OG 3.41Å; S912-S915 PolarHBondContact OG-N 2.78Å; S912-S915 VanDerWaalsContact OG-N 3.13Å; S912-S915 PolarHBondContact OG-OG 3.2Å; S912-V918 WeakPolarHBondContact O-CG2 3.33Å
913I87.3Confident86.8Confident43 Ų4362.6 Ų62.622%0.22135%0.345CS..THydrogen-bonded Turntrans-57.7-29.4169.9-64.4164.6000111.4I881 D882 K884 S915 L920I881-I913 HydrophobicContact CB-CG1 4.25Å; I881-I913 HydrophobicContact CG2-CG1 3.76Å; D882-I913 HydrophobicContact CB-CD1 3.74Å; K884-I913 HydrophobicContact CD-CD1 3.86Å; K884-I913 HydrophobicContact CG-CD1 4.22Å; I913-S915 VanDerWaalsContact C-N 3.29Å; I913-S915 PolarHBondContact O-N 3.19Å; I913-L920 HydrophobicContact CG2-CD1 3.87Å; I913-L920 HydrophobicContact CG2-CD2 4.01Å; I913-L920 HydrophobicContact CG2-CG 4.15Å
914S86.1Confident84.3Confident108 Ų10871.5 Ų71.576%0.75538%0.38SS*.THydrogen-bonded Turntrans-80.1-1.1177.651.60000114.8S912S912-S914 PolarHBondContact O-N 3.42Å; S912-S914 PolarHBondContact OG-N 3.33Å; S912-S914 PolarHBondContact OG-OG 2.8Å
915S86.3Confident83.8Confident30 Ų3075.1 Ų75.121%0.2140%0.4CS..SBendtrans-75.7131.6-179.7-66.70000111.1S912 I913 I917 V918S912-S915 PolarHBondContact N-OG 3.16Å; S912-S915 VanDerWaalsContact O-CB 3.25Å; S912-S915 WeakPolarHBondContact O-CB 3.44Å; S912-S915 PolarHBondContact O-N 3.5Å; S912-S915 PolarHBondContact O-OG 3.41Å; S912-S915 PolarHBondContact OG-N 2.78Å; S912-S915 VanDerWaalsContact OG-N 3.13Å; S912-S915 PolarHBondContact OG-OG 3.2Å; I913-S915 VanDerWaalsContact C-N 3.29Å; I913-S915 PolarHBondContact O-N 3.19Å; S915-I917 PolarHBondContact O-N 3.14Å; S915-V918 PolarHBondContact O-N 3.45Å
916N83.3Confident83.2Confident152 Ų15279 Ų7981%0.81342%0.421SS*.THydrogen-bonded Turntrans-58-12.5-178.9-73.9-41.2000115.4
917I85.4Confident82.7Confident61 Ų6180.3 Ų80.331%0.31343%0.427SS..THydrogen-bonded Turntrans-104.812177.656.3175.3000113.8T769 L889 L911 S915T769-I917 HydrophobicContact CG2-CG2 3.48Å; T769-I917 VanDerWaalsContact CG2-CG2 3.48Å; L889-I917 HydrophobicContact CB-CB 4.22Å; L889-I917 HydrophobicContact CB-CG2 4.47Å; L889-I917 PolarHBondContact N-O 3.4Å; L889-I917 WeakPolarHBondContact O-CB 3.47Å; L911-I917 HydrophobicContact CD2-CD1 3.75Å; L911-I917 HydrophobicContact CD2-CG1 3.77Å; S915-I917 PolarHBondContact O-N 3.14Å
918V88.1Confident82.2Confident15 Ų1582.3 Ų82.39%0.09144%0.439CS..EExtended strand (participates in β ladder)trans-113.9109.8175.61770000108.3I881 V886 L888 L911 S912 S915I881-V918 HydrophobicContact CD1-CG1 4.25Å; I881-V918 HydrophobicContact CD1-CG2 4.11Å; V886-V918 HydrophobicContact CB-CG1 3.71Å; V886-V918 HydrophobicContact CG1-CG1 3.47Å; V886-V918 VanDerWaalsContact CG1-CG1 3.47Å; V886-V918 HydrophobicContact CG2-CG1 4.18Å; L888-V918 HydrophobicContact CD2-CG2 4.13Å; L911-V918 HydrophobicContact CB-CG2 4.09Å; L911-V918 HydrophobicContact CD1-CG2 3.82Å; L911-V918 HydrophobicContact CD2-CG2 4.45Å; L911-V918 HydrophobicContact CG-CG2 4.35Å; S912-V918 WeakPolarHBondContact O-CG2 3.33Å; S915-V918 PolarHBondContact O-N 3.45Å
919E87.8Confident81.5Confident87 Ų8787.4 Ų87.441%0.40747%0.466SS..EExtended strand (participates in β ladder)trans-94.8126.7173.2172.2-172.1-128.200109.1V886 N887 V921V886-E919 CarbonylContact C-O 3.5Å; V886-E919 VanDerWaalsContact CA-O 3.25Å; V886-E919 WeakPolarHBondContact CA-O 3.47Å; N887-E919 HydrophobicContact CB-CB 4.15Å; N887-E919 PolarHBondContact N-O 2.82Å; N887-E919 PolarHBondContact ND2-OE2 3.05Å; N887-E919 PolarHBondContact O-N 3.23Å; E919-V921 PolarHBondContact O-N 3.13Å
920L87.3Confident80.8Confident64 Ų6490.9 Ų90.934%0.33549%0.485SS..EExtended strand (participates in β ladder)trans-74.4118.8176.2-78.7164.6000110.7K884 V886 I913 N922K884-L920 HydrophobicContact CB-CD2 3.73Å; K884-L920 HydrophobicContact CD-CD2 3.61Å; K884-L920 HydrophobicContact CG-CD2 4.31Å; V886-L920 HydrophobicContact CG1-CD2 3.99Å; I913-L920 HydrophobicContact CG2-CD1 3.87Å; I913-L920 HydrophobicContact CG2-CD2 4.01Å; I913-L920 HydrophobicContact CG2-CG 4.15Å; L920-N922 VanDerWaalsContact C-N 3.31Å; L920-N922 PolarHBondContact O-N 3.27Å
921V83.3Confident80.2Confident52 Ų5284.4 Ų84.432%0.31547%0.47SS..  trans-7985.6175.5-175.20000108.5H885 N887 E919 A923H885-V921 HydrophobicContact CB-CB 4.42Å; H885-V921 PolarHBondContact O-N 3.03Å; N887-V921 HydrophobicContact CB-CG2 4.29Å; N887-V921 WeakPolarHBondContact OD1-CG2 3.49Å; E919-V921 PolarHBondContact O-N 3.13Å; V921-A923 PolarHBondContact O-N 3.1Å
922N75.3Confident79.4Confident133 Ų13388.9 Ų88.971%0.71150%0.496SS*.  trans-64105.1173.8-72.3-24.8000109.7L920 K924L920-N922 VanDerWaalsContact C-N 3.31Å; L920-N922 PolarHBondContact O-N 3.27Å; N922-K924 PolarHBondContact O-N 3.01Å
923A54.6Low78.6Confident102 Ų10293.5 Ų93.584%0.84352%0.517SS*.  trans-59.3130164.800000109.2V921V921-A923 PolarHBondContact O-N 3.1Å
924K38.3Very low77.8Confident275 Ų27598.1 Ų98.1100%1.19654%0.544SS*.  trans-109.20172.4-74.1-173.7174.3-176.70109.4N922N922-K924 PolarHBondContact O-N 3.01Å

Retrieved 924 of 924 residues in 308.1 ms (Link to these results)