A0A060XIX2_ONCMY Loading...

BTB (POZ) domain containing 10a

AlphaFold DB , UniProt , Accession A0A060XIX2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110498720, Length 496 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.7Very low38.9Very low236 Ų236141.5 Ų141.5100%1.16380%0.8SS**  0142.80-85.9-64.5-169.600108.3
2P61.3Low38.5Very low93 Ų93136.9 Ų136.960%0.60479%0.794SS**  cis-137.3-179.8-11.142-26.7000116.2
3N38Very low38Very low118 Ų118137.1 Ų137.163%0.63179%0.788SS**  trans71.8157.8164-60.6-10.3000116.4
4Y38Very low37.5Very low210 Ų210140.6 Ų140.682%0.82479%0.79SS**  cis-167.2159.7-22-96.8-25.9000106.5
5A35.2Very low36.7Very low83 Ų83136.2 Ų136.269%0.68679%0.789SS**  cis-152.3174.1-12.700000106.4
6K34.9Very low36.1Very low198 Ų198132.7 Ų132.786%0.86179%0.791SS**  cis69.6145.528.4-88.5-169.7177.6-175.30116.3
7P55.7Low35.8Very low126 Ų126130.6 Ų130.682%0.81879%0.792SS**  cis-101.8-154.1-13.739.8-25.8000110
8A34.2Very low35.6Very low100 Ų100133.5 Ų133.583%0.82680%0.796SS**  cis-149.5-177.6-1.600000108.6
9G28.4Very low35.4Very low72 Ų72132.9 Ų132.974%0.74279%0.793SS**  cis-161.4178.5-4.300000113.3
10K31.3Very low35.1Very low200 Ų200134.4 Ų134.487%0.8780%0.796SS**  trans-130170.3172.9-58-174.3176.9-174.40108.6
11P41.1Very low34.8Very low120 Ų120134.2 Ų134.278%0.77980%0.8SS**  -117.6167.772.2-0.223.6000112.5
12A34.6Very low34.9Very low87 Ų87126.4 Ų126.472%0.71977%0.773SS**  cis76.1147.340.500000113
13L31.9Very low33.3Very low139 Ų139131.2 Ų131.273%0.72878%0.784SS**  cis-161.8167.834-121.5173000112.2
14F30.9Very low33.5Very low186 Ų186132.9 Ų132.982%0.81679%0.792SS**  trans59.3155.7168.2-63.8-67000119.1
15G25.9Very low33.9Very low75 Ų75128.5 Ų128.577%0.77379%0.789SS**  cis126.6106.3-8.400000114.1
16G27Very low33.9Very low80 Ų80131.4 Ų131.483%0.82579%0.788SS**  trans-171.9151.1176.300000111.6
17A29.9Very low33.7Very low97 Ų97130.6 Ų130.680%0.80279%0.792SS**  trans-151163.9-174.300000112.7
18Q32.4Very low32.9Very low183 Ų183130.3 Ų130.386%0.85578%0.783SS**  trans74.8162.8170.1-55-170.8-6.600118.6
19V31.6Very low33.4Very low122 Ų122130.9 Ų130.974%0.73978%0.778SS**  trans68.1103.8167.1-164.80000117
20L30.6Very low33.4Very low163 Ų163132.8 Ų132.885%0.85378%0.779SS**  -162.9104113.3-104.8168.9000110.9
21C28.2Very low33.4Very low131 Ų131128 Ų12889%0.88577%0.77SS**  trans-14093.7167-1740000108.6
22A31.4Very low32.9Very low71 Ų71131.4 Ų131.459%0.58777%0.772SS**  trans177.5129162.100000108.6
23F28.9Very low32.7Very low195 Ų195132.5 Ų132.586%0.85577%0.77SS**  -172.9112.5114.8-104.2-66.3000110.7
24I42.3Very low32.6Very low153 Ų153135.3 Ų135.379%0.78578%0.776SS**  trans-135.4130.6163.1-66.6176.5000106.2
25P44.9Very low32.5Very low117 Ų117134.6 Ų134.676%0.7678%0.775SS**  trans-119.710813632-23.9000108.1
26Q35.3Very low32.7Very low145 Ų145138.8 Ų138.868%0.67878%0.779SS**  61.9107.886.1-74.2-158.69.800114.1
27L31.7Very low33.2Very low180 Ų180140 Ų14094%0.94277%0.773SS**  trans-134.4150.9130.1-98.3169.9000108.9
28I37.7Very low33Very low121 Ų121140.8 Ų140.862%0.62177%0.771SS**  trans-132.4153.7-163.4-86.8168.3000105.3
29P45Very low33Very low111 Ų111139.7 Ų139.772%0.72177%0.771SS**  cis-144.4171.141.822.94.7000120
30C29.8Very low32.9Very low113 Ų113139.8 Ų139.876%0.76477%0.772SS**  trans16.7155.1132.7-37.30000121
31C29.6Very low32.8Very low100 Ų100140.4 Ų140.468%0.67678%0.776SS**  cis-134.317214.4-70.20000109.5
32F31.7Very low32.7Very low190 Ų190137.3 Ų137.383%0.83377%0.767SS**  cis-145.9159.231.7-83.3-93.6000113.3
33V30.6Very low32.5Very low110 Ų110139 Ų13967%0.66778%0.78SS**  trans-110.9143.3169.7174.50000108.8
34F29.8Very low32.6Very low198 Ų198138 Ų13887%0.86878%0.779SS**  trans-125.4121.4154.2-92.3-78.4000110.2
35H29.4Very low32.5Very low171 Ų171135.6 Ų135.679%0.79277%0.773SS**PPolyproline II helixtrans-76.6142.8170.8-87.2-100.6000110.4
36L29.8Very low31.7Very low163 Ų163140.9 Ų140.985%0.85378%0.778SS**PPolyproline II helixtrans-90.2128.4159.1-168.673.1000108.1
37P36.3Very low31.6Very low107 Ų107141.9 Ų141.970%0.69579%0.787SS**PPolyproline II helixtrans-74.2150.9175.730.8-33.9000111.3
38C26.5Very low31.7Very low112 Ų112139.2 Ų139.276%0.75778%0.78SS**  trans-112.3125.3168.5-178.70000107.4
39D31.3Very low31.3Very low161 Ų161138 Ų13886%0.86179%0.788SS**  trans-111134.1170.5-87-50.1000109.8
40T30.2Very low30.7Very low124 Ų124138.9 Ų138.976%0.76179%0.791SS**  trans-119.7121.1175.953.50000110.3
41D27.9Very low31.2Very low175 Ų175139.2 Ų139.294%0.93679%0.792SS**  -156.6165.6124.8-139.5-30.2000110.9
42G26.4Very low31.2Very low67 Ų67142.7 Ų142.769%0.69180%0.798SS**  trans-125150-168.300000115.9
43A28.2Very low31.1Very low106 Ų106142 Ų14288%0.87680%0.803SS**  trans-155.1108.916100000112.6
44Q31.2Very low31Very low175 Ų175144.9 Ų144.982%0.81881%0.809SS**  trans-78.6161.7150.1-90.1-101.7-13.500107.9
45P39.1Very low31Very low102 Ų102140 Ų14066%0.66281%0.805SS**  cis-152.1-178.739.234.6-9.6000119.3
46R29.1Very low31Very low228 Ų228139.6 Ų139.686%0.8681%0.808SS**  trans110.5121.2148.7-60.1-173.1179.9-177.70.2118.2
47L32Very low31Very low166 Ų166139.3 Ų139.387%0.86981%0.807SS**  trans-75.8172.5164.8-62.6163.5000111.2
48P35Very low30.8Very low124 Ų124140.7 Ų140.781%0.80581%0.813SS**  -138143.5114.437.4-27.7000116.5
49A28.8Very low31Very low95 Ų95142 Ų14279%0.78581%0.813SS**  trans43.5120.7144.200000122.2
50V32.9Very low31Very low130 Ų130143.5 Ų143.579%0.78882%0.817SS**  trans-91.8145152.4173.40000109.2
51P39.6Very low31Very low120 Ų120144.2 Ų144.278%0.77982%0.816SS**  trans-104.1123.5156.533.7-24.9000111.3
52Q30.4Very low31.3Very low173 Ų173141.5 Ų141.581%0.80880%0.801SS**  trans-83.3153.3158.7-70.1174.8-95.900109.6
53L28.4Very low31.7Very low176 Ų176146.8 Ų146.892%0.92181%0.807SS**  trans-142.1143.6147.1-14381000108.6
54E28.7Very low31.7Very low170 Ų170144.9 Ų144.979%0.79480%0.798SS**  trans-93.3163.4-179.4-68.5-175104.600112.5
55A30.9Very low31.6Very low96 Ų96141.2 Ų141.279%0.79380%0.798SS**  trans46.1129.3149.100000120.3
56D28.7Very low31.1Very low161 Ų161142.4 Ų142.486%0.86181%0.809SS**  -146.2157.1111.1-136.3-26.2000112.3
57L29.6Very low31Very low157 Ų157135.8 Ų135.882%0.82281%0.811SS**  trans-124.1113.7-170.9-113.7168.8000110.6
58V32.2Very low30.8Very low136 Ų136131.9 Ų131.982%0.82481%0.811SS**  trans-129.4111171-178.20000111.3
59N31.2Very low30.5Very low140 Ų140133.9 Ų133.975%0.74981%0.814SS**  trans-68.5142.9163.6-102.1-49.1000110.6
60M30.1Very low30.5Very low192 Ų192135.7 Ų135.795%0.94681%0.811SS**  -149.3153.6129.1-90.8-134.1-91.300110.8
61N30.8Very low30.3Very low139 Ų139140.4 Ų140.474%0.74381%0.814SS**  trans-151.5-174.9-165.3-175.18.8000108
62L34Very low29.8Very low118 Ų118140.4 Ų140.462%0.61882%0.816SS**  trans95.1107.5168.8-73.765.8000118.1
63H34.5Very low29.8Very low178 Ų178143.9 Ų143.982%0.82482%0.822SS**  trans77.5150.9132.8-53.7-24.6000119.8
64G27.9Very low29.7Very low67 Ų67142.3 Ų142.369%0.69181%0.814SS**  cis168.8-174.4-5.400000114.4
65A29.3Very low30Very low98 Ų98140.1 Ų140.181%0.8182%0.818SS**  trans68.5129.7-174.800000115.5
66S29.8Very low30Very low127 Ų127141 Ų14189%0.88881%0.809SS**  cis104.51238.1-55.80000116.4
67G27.2Very low30.3Very low88 Ų88142.4 Ų142.491%0.90780%0.802SS**  trans112.7140.7152.400000116.7
68G26.1Very low30.5Very low85 Ų85145.3 Ų145.388%0.87680%0.802SS**  trans141.6113.517000000113.2
69L29.3Very low30.5Very low165 Ų165149.9 Ų149.986%0.86481%0.805SS**  trans-130.6153.6179.4-129.1164.1000109.6
70D29.9Very low30.5Very low134 Ų134148.2 Ų148.272%0.71780%0.804SS**  trans93147.8145.2-125.7-21.4000121.9
71R28.6Very low30.6Very low228 Ų228144.1 Ų144.186%0.8679%0.794SS**  trans88.7125162.6-64.9179179.1-155.2-4.5122.5
72C28.2Very low30.5Very low121 Ų121144.5 Ų144.582%0.81880%0.796SS**  trans-78.4167.2-179.4-40.80000114.6
73R30.1Very low30.5Very low246 Ų246149.6 Ų149.693%0.92881%0.807SS**  trans-154.7140.9135.9-117.3172.7-176.7174.51112.6
74D26.8Very low30.3Very low143 Ų143146.4 Ų146.477%0.76581%0.805SS**  trans-74.8156.8-178.1-56.1-94.5000114.5
75S35.5Very low30.7Very low124 Ų124154.9 Ų154.987%0.86782%0.816SS**  trans-158.765.7153.3-79.20000112.9
76D30.3Very low30.6Very low115 Ų115156.9 Ų156.962%0.61581%0.813SS**  trans15.5152.9136.7-159.612.3000122
77R34Very low30.7Very low190 Ų190156.4 Ų156.472%0.71781%0.81SS**  trans77.1135.9167.1-66.2143.2-154.1-155.87.8118.2
78R35.1Very low31Very low217 Ų217157 Ų15782%0.81980%0.8SS**  cis-148.4142.3-5.6-86.4141.8-179-118.82.2107.6
79R32.7Very low31.3Very low233 Ų233161.9 Ų161.988%0.87980%0.8SS**  33.6132.793.8-66-171.5179.8-169.30.2114.8
80S29.9Very low31.6Very low105 Ų105162.7 Ų162.773%0.73480%0.799SS**  cis-136168.434.8-58.30000111.3
81S32.1Very low31.8Very low106 Ų106168.4 Ų168.474%0.74181%0.81SS**  cis64.1131.244.3-280000112.2
82D29.3Very low32Very low146 Ų146160.8 Ų160.878%0.78180%0.802SS**  cis-165.3-179.26.6-1667.5000110.5
83R33.7Very low32.2Very low226 Ų226164.9 Ų164.985%0.85381%0.81SS**  trans88.7112160.7-59.5179.6-177.6179.80.1120.2
84S31.7Very low32.4Very low110 Ų110156.8 Ų156.877%0.76980%0.802SS**  trans-62.2154.3149.748.30000113.6
85R35.8Very low32.6Very low245 Ų245158.6 Ų158.693%0.92581%0.806SS**  -166.1144113.6-112.9177176.3153.5-0.3114.5
86D27.2Very low32.5Very low140 Ų140160.4 Ų160.475%0.74981%0.805SS**  trans-68.9143.8166.4155.248.4000112.3
87S30.4Very low32.7Very low117 Ų117161.1 Ų161.182%0.81881%0.814SS**  trans-167.1121.214164.90000111.8
88S34.8Very low33.4Very low100 Ų100157.4 Ų157.470%0.69981%0.814SS**  trans-89.9139.6170.457.80000113.3
89H31.3Very low33.2Very low189 Ų189152.2 Ų152.288%0.87581%0.81SS**  trans-165.8140.8138.3-128.9-71.9000114.1
90E35.8Very low33.3Very low181 Ų181149 Ų14985%0.84681%0.809SS**  trans-90.6157.4163.8-64.1-172.6115.100112.2
91R34.5Very low33.5Very low255 Ų255154.1 Ų154.196%0.96281%0.812SS**  trans-156.5141.2143.3-155.2170.9-169.5161.55110.2
92G33.2Very low33.3Very low67 Ų67156.2 Ų156.269%0.69182%0.815SS**  trans-112.6170.5-168.900000117.2
93E32.4Very low33.5Very low208 Ų208155.1 Ų155.197%0.97281%0.808SS**  trans45.3133.2157.1-54.5-158.7124.800122.2
94G33.5Very low33.3Very low75 Ų75151.2 Ų151.277%0.77381%0.81SS**  trans168.169.9170.400000118.3
95Q32Very low33.4Very low181 Ų181150.4 Ų150.485%0.84680%0.804SS**  trans58.8119.9155.2-68-172-2.400122.7
96L32Very low33.7Very low162 Ų162145 Ų14585%0.84880%0.801SS**  trans78.5141.8139.8-59.3173.6000122.3
97T36.4Very low33.8Very low131 Ų131145.1 Ų145.180%0.80481%0.807SS**  trans-90178-178.627.10000113.1
98P48.3Very low33.8Very low111 Ų111150 Ų15072%0.72181%0.807SS**  cis-130.4177.4-1.139.6-23.5000115.5
99C29.7Very low33.6Very low108 Ų108152.4 Ų152.473%0.7381%0.807SS**  169.9125.8126.8-95.30000117.1
100I34.7Very low33.4Very low167 Ų167152.2 Ų152.286%0.85681%0.806SS**  trans68.3156140.9-61.3176.8000120
101R34.1Very low33.1Very low211 Ų211149.7 Ų149.780%0.79680%0.799SS**  trans-113.8155.4-170.1-61.2170.5170142.1-6.6113.3
102N29.6Very low32.8Very low150 Ų150143.2 Ų143.280%0.80279%0.793SS**  -178.8134126.3-88.1-15.2000107.6
103I33.5Very low32.8Very low123 Ų123146.8 Ų146.863%0.63180%0.796SS**  cis72.8111.239.2-53.4175.6000113.4
104T29.1Very low32.9Very low145 Ų145147.1 Ų147.189%0.8979%0.788SS**  trans-131.3124.9155.737.20000109.1
105S33.4Very low32.7Very low93 Ų93151.3 Ų151.365%0.6579%0.788SS**  trans-94.5-176.5178.3-48.80000111.2
106P41.1Very low32.7Very low132 Ų132154 Ų15486%0.85779%0.79SS**  -142.8135.2105.235.5-21.8000115.1
107T30.5Very low32.6Very low142 Ų142150 Ų15087%0.87179%0.788SS**  trans-129.1137.8162.6-53.80000108.5
108R29.8Very low32.3Very low220 Ų220153.6 Ų153.683%0.8380%0.796SS**  trans-103.3113.6-170.7-176.3178.6177.9-164.7-1.9112.5
109Q30.2Very low31.5Very low150 Ų150152.2 Ų152.270%0.70180%0.801SS**  trans32.3120.6143.8-56.4166.9-44.700119.3
110H28.5Very low31.5Very low184 Ų184150.4 Ų150.485%0.85280%0.801SS**  -152.8163.5102-142.3-98.1000112.7
111N29.5Very low31.4Very low129 Ų129148.5 Ų148.569%0.6980%0.802SS**  trans-86.8158-166-61.6-1.1000114.4
112S28.2Very low31.3Very low119 Ų119144.2 Ų144.283%0.83280%0.804SS**  trans-127127.7148.760.30000108.3
113D31.7Very low31.4Very low141 Ų141142 Ų14275%0.75480%0.801SS**  trans-134.5172176.8-134.1-38000111.6
114R35Very low31.3Very low215 Ų215147.2 Ų147.281%0.81181%0.813SS**  trans-79.7159.2-155.1-69.4179.6163.685.2-6.4117.8
115E30Very low31.3Very low164 Ų164145.3 Ų145.377%0.76681%0.805SS**  trans104.4147.6132.4-122.2-178.2-123.100121.4
116R32.4Very low31.1Very low238 Ų238146 Ų14690%0.89881%0.81SS**  trans66.4142.5171.4-66.1-176.1171.5-133.3-3.2119.6
117G28.4Very low30.7Very low78 Ų78145.1 Ų145.180%0.80481%0.807SS**  trans148.3106162.800000114
118E31.4Very low31.6Very low206 Ų206144.4 Ų144.496%0.96381%0.805SS**  trans-80.4152.3161.7-61.7179.9120.300110
119G30.8Very low31.7Very low81 Ų81145.1 Ų145.184%0.83581%0.807SS**  trans157.8102.1172.300000113.4
120G29.3Very low33Very low70 Ų70142.9 Ų142.972%0.72281%0.806SS**  trans-102-169.8174.600000113.5
121S32.6Very low33.8Very low128 Ų128140.4 Ų140.490%0.89581%0.806SS**  trans81.5142.7-176.6-51.50000114.8
122S31.8Very low33.9Very low120 Ų120145.7 Ų145.784%0.83982%0.817SS**  cis-155.6-179.3-9.946.40000111.3
123S32.4Very low33.9Very low103 Ų103144.2 Ų144.272%0.7281%0.812SS**  trans-99.9-176.5-166580000114.9
124R31.3Very low33.7Very low234 Ų234145.6 Ų145.688%0.88382%0.816SS**  trans91.5155.7174.1-56.6168.2167.7-164.6-5.9115
125S29.5Very low33.5Very low104 Ų104143.6 Ų143.673%0.72782%0.817SS**  cis-171.9167.4-31.359.40000105.7
126S29.2Very low33.5Very low108 Ų108140.4 Ų140.476%0.75581%0.813SS**  cis-167.7176.535-55.60000110.4
127S33Very low33.3Very low113 Ų113136 Ų13679%0.7981%0.812SS**  trans-100.8-178.5155.6-130.40000109.4
128P47.8Very low33.2Very low128 Ų128135.1 Ų135.183%0.83180%0.803SS**  cis-141.8-131.328.142.7-18.9000115.9
129R33.3Very low34.2Very low234 Ų234131.5 Ų131.588%0.88380%0.798SS**  trans-121.5-147.6-152.6-154.5-166.5-176.6-177.43.8113.5
130P56.8Low34.2Very low104 Ų104132.8 Ų132.868%0.67579%0.794SS**  -114.3-172.1-129.644.8-28.7000116.2
131P45.9Very low34.1Very low132 Ų132134.7 Ų134.786%0.85780%0.795SS**  trans-119.3179158.837.5-25.4000115
132R30.7Very low34Very low240 Ų240135.5 Ų135.591%0.90679%0.788SS**  trans-160.2155.4-166.1-167.5-174.7-172.1-170.84.1113.9
133A29.4Very low34Very low88 Ų88135.3 Ų135.373%0.72778%0.782SS**  trans75.5165165.700000116.9
134M27.6Very low33.8Very low170 Ų170136.2 Ų136.284%0.83778%0.783SS**  cis-152.315625.7-53.6178.1-171.600115.1
135M30.4Very low33.8Very low172 Ų172130.1 Ų130.185%0.84778%0.776SS**  trans44.7156.6139.1-60.6-72.891.100123
136S28.4Very low33.9Very low98 Ų98131.3 Ų131.369%0.68577%0.774SS**  cis-178.8162.3-20.1-175.80000110.1
137V29.3Very low34.1Very low144 Ų144130.3 Ų130.387%0.87377%0.767SS**  trans161.4141145.8155.30000111.8
138G27.1Very low34.3Very low60 Ų60135.5 Ų135.562%0.61977%0.769SS**  trans-111.7-145.918000000114
139P51Low33.5Very low130 Ų130134.2 Ų134.284%0.84476%0.764SS**  cis-100.3-134.719.69.615000113.5
140S31.5Very low33.4Very low109 Ų109127.1 Ų127.176%0.76275%0.75SS**  cis-157.3-172.815.4-64.10000113.1
141C28Very low32.3Very low110 Ų110129 Ų12974%0.74375%0.754SS**  trans-118.9164.2-173.855.30000113.6
142I30.3Very low31.6Very low145 Ų145131.2 Ų131.274%0.74475%0.75SS**  -159115.277.8-82.3159.4000107.8
143T30.7Very low31.6Very low116 Ų116124.6 Ų124.671%0.71274%0.741SS**  46.9137.596.749.70000116.5
144V27.9Very low31.6Very low122 Ų122129.4 Ų129.474%0.73975%0.745SS**  -161.7136.365.3157.90000113.6
145S31.2Very low31.8Very low106 Ų106130 Ų13074%0.74175%0.746SS**  trans40.8128.2147.3-57.40000123.6
146N32Very low31.9Very low128 Ų128125.7 Ų125.768%0.68474%0.738SS**  83.9129.455.4-161.847.9000112.3
147S34.8Very low33.1Very low87 Ų87126.7 Ų126.761%0.60874%0.742SS**  -171.3150.763.4-50.60000115.8
148R35.8Very low33Very low222 Ų222126.2 Ų126.284%0.83874%0.744SS**  42.6159.9128.7-63.2175.7178.6178.1-2.3122
149S30.7Very low33.2Very low102 Ų102133.6 Ų133.671%0.71376%0.759SS**  cis179.3-170.2-24.567.50000106.9
150S31.2Very low32.1Very low85 Ų85130.9 Ų130.959%0.59475%0.754SS**  cis-175.6144.7-2.228.70000110.2
151L35.1Very low32Very low143 Ų143134.2 Ų134.275%0.74976%0.762SS**  trans68.7159.4161.5-56.4157.7000116.3
152F31.3Very low31.9Very low178 Ų178131.7 Ų131.778%0.78176%0.755SS**  cis-135.2179.84.7-71.2-89.1000108
153S30.4Very low31.9Very low102 Ų102134 Ų13471%0.71376%0.762SS**  cis-167.5-169.4-7.4-115.60000106.6
154K28.8Very low31.9Very low188 Ų188132.3 Ų132.382%0.81777%0.768SS**  cis-158176.93.6-139.1-173.9-179.3-178.40110.3
155E32Very low32.1Very low182 Ų182134.4 Ų134.485%0.8577%0.769SS**  trans-134.5-178.8167-48.7168.469.300108.6
156A32.6Very low32.1Very low82 Ų82135.8 Ų135.868%0.67877%0.773SS**  cis-159.1-153.92.800000107.9
157P53.4Low32.3Very low119 Ų119137.5 Ų137.577%0.77378%0.776SS**  -128155.6-60.135.2-19.5000114
158C27.3Very low32.4Very low135 Ų135138.4 Ų138.491%0.91278%0.782SS**  trans-137.3141.8169.5-57.40000113.8
159K31.1Very low33.1Very low215 Ų215132.6 Ų132.694%0.93577%0.773SS**  trans-62.6145.4179.6-59.3160.8-178.3173.90112.7
160G27.3Very low33.6Very low72 Ų72133.3 Ų133.374%0.74278%0.777SS**  trans-104.2172175.500000114.7
161L29.5Very low34.5Very low180 Ų180133.8 Ų133.894%0.94277%0.773SS**  trans-164.8129.2170.3-116.6164.7000111
162G26.6Very low35.8Very low57 Ų57131.7 Ų131.759%0.58876%0.762SS**  trans88.9127.4150.500000120.3
163H29.6Very low38.1Very low194 Ų194128 Ų12890%0.89875%0.749SS**  trans56.184.3136.6-54.1102.8000120.7
164G30.5Very low40.4Very low80 Ų80126.8 Ų126.883%0.82573%0.73SS**  60.297.6106.400000119.4
165H32.2Very low42.8Very low166 Ų166121.7 Ų121.777%0.76971%0.714SS**  trans-132.3133141.7-157.971.7000109.2H167H165-H167 PolarHBondContact O-N 3.14Å
166V31.7Very low44.8Very low135 Ų135114.1 Ų114.182%0.81868%0.678SS**  trans-79.9103.4172.5177.40000106.6S168V166-S168 PolarHBondContact O-N 2.7Å
167H37Very low46.5Very low164 Ų164115.4 Ų115.476%0.75967%0.67SS**PPolyproline II helixtrans-62127.4171-90-96000109.5H165H165-H167 PolarHBondContact O-N 3.14Å
168S35.8Very low46.6Very low105 Ų105113.6 Ų113.673%0.73465%0.654SS**PPolyproline II helixtrans-58.4138.4170.7-171.70000109.8V166V166-S168 PolarHBondContact O-N 2.7Å
169P50.4Low47.8Very low100 Ų100113.8 Ų113.865%0.64965%0.651SS**SBendtrans-65168.7157.532.2-34.7000110.1
170C41.7Very low48.7Very low117 Ų117112.2 Ų112.279%0.79164%0.644SS**  trans67.868.1170.4-54.80000116.6
171D50.8Low49.3Very low95 Ų95117.4 Ų117.451%0.50865%0.649SS.*  trans-129.280147.1-142.3-22.5000106.6I173 R200D171-I173 PolarHBondContact O-N 3.41Å; D171-R200 IonicContact OD1-CZ 3.44Å; D171-R200 IonicContact OD1-NE 3.28Å; D171-R200 PolarHBondContact OD1-NE 3.26Å; D171-R200 IonicContact OD1-NH2 3.61Å; D171-R200 PolarHBondContact OD1-NH2 3.09Å; D171-R200 IonicContact OD2-CZ 2.74Å; D171-R200 IonicContact OD2-NH2 3.7Å; D171-R200 PolarHBondContact OD2-NH2 2.78Å
172L62.5Low49.8Very low99 Ų99111.9 Ų111.952%0.51864%0.636SS.*  trans-81.2113.3-175.1-81.2169.8000109.9Y174 T199 R200L172-Y174 HydrophobicContact CB-CE2 4.27Å; L172-T199 HydrophobicContact CB-CG2 4.18Å; L172-R200 PolarHBondContact O-N 2.9Å
173I78.5Confident50.7Low101 Ų101114.4 Ų114.452%0.51865%0.651SS.*EExtended strand (participates in β ladder)trans-110.7118.3179.1-52.6178.8000109.3D171 V175 R200 V202D171-I173 PolarHBondContact O-N 3.41Å; I173-V175 HydrophobicContact CG2-CG2 4.49Å; I173-R200 WeakPolarHBondContact CA-O 3.34Å; I173-R200 HydrophobicContact CG1-CB 4.32Å; I173-V202 HydrophobicContact CG2-CG2 3.84Å
174Y79.3Confident51.2Low76 Ų76116.2 Ų116.230%0.29865%0.65SS.*EExtended strand (participates in β ladder)trans-103.7133.2172.5-64.9-91.6000110.3L172 T199 R200 F201 V202L172-Y174 HydrophobicContact CB-CE2 4.27Å; Y174-T199 HydrophobicContact CD2-CG2 3.74Å; Y174-T199 HydrophobicContact CE2-CG2 3.62Å; Y174-R200 PolarHBondContact N-O 3.18Å; Y174-F201 HydrophobicContact CD2-CD1 4.43Å; Y174-F201 HydrophobicContact CD2-CE1 4.03Å; Y174-F201 HydrophobicContact CD2-CZ 4.38Å; Y174-F201 HydrophobicContact CG-CE1 4.42Å; Y174-V202 PolarHBondContact O-N 2.79Å
175V79.4Confident51.5Low82 Ų82118.6 Ų118.650%0.49765%0.649SS.*EExtended strand (participates in β ladder)trans-112.8120.5-179.5-174.50000110.1I173 E177 V202I173-V175 HydrophobicContact CG2-CG2 4.49Å; V175-E177 HydrophobicContact CG1-CG 4.09Å; V175-V202 WeakPolarHBondContact CA-O 3.49Å; V175-V202 HydrophobicContact CG2-CB 4.35Å
176Y74.2Confident51.9Low23 Ų23118.8 Ų118.89%0.0966%0.655CS.*EExtended strand (participates in β ladder)trans-107.493.8-176.4-72-103.5000111.1F201 V202 V203 R249 L252Y176-F201 AromaticContact CE2-CD1 3.74Å; Y176-F201 HydrophobicContact CE2-CD1 3.74Å; Y176-F201 HydrophobicContact CE2-CE1 4.45Å; Y176-V202 PolarHBondContact N-O 3.22Å; Y176-V203 HydrophobicContact CD2-CG1 4.23Å; Y176-V203 HydrophobicContact CG-CG1 4.4Å; Y176-R249 WeakPolarHBondContact OH-CG 3.4Å; Y176-L252 HydrophobicContact CD1-CB 3.97Å; Y176-L252 HydrophobicContact CD1-CD1 4.18Å; Y176-L252 HydrophobicContact CD2-CD1 3.82Å; Y176-L252 HydrophobicContact CE1-CB 3.7Å; Y176-L252 HydrophobicContact CE1-CD1 3.9Å; Y176-L252 HydrophobicContact CE1-CG 4.48Å; Y176-L252 HydrophobicContact CE2-CD1 3.52Å; Y176-L252 HydrophobicContact CG-CD1 4.16Å
177E68.3Low52.4Low108 Ų108123.3 Ų123.351%0.50566%0.657SS.*  trans-86.9155.2174.7-52-159.7143.200112V175 R191 K256V175-E177 HydrophobicContact CG1-CG 4.09Å; E177-R191 IonicContact OE1-CZ 3.61Å; E177-R191 IonicContact OE1-NH1 3.63Å; E177-R191 PolarHBondContact OE1-NH1 2.7Å; E177-R191 IonicContact OE1-NH2 3.41Å; E177-R191 PolarHBondContact OE1-NH2 2.76Å; E177-K256 PolarHBondContact O-NZ 3.21Å
178N54.9Low52.7Low81 Ų81121.4 Ų121.443%0.43366%0.657SS.*  trans-98.3106.6175.8-175.33.2000109.5K180N178-K180 PolarHBondContact O-N 3.21Å; N178-K180 VanDerWaalsContact O-N 3.09Å
179T52.1Low53.6Low140 Ų140118.8 Ų118.886%0.85964%0.642SS**THydrogen-bonded Turntrans-80.215.7-167.849.20000115
180K50.1Low54.7Low182 Ų182119.8 Ų119.879%0.79164%0.638SS**THydrogen-bonded Turntrans-107.4-7.8-170.7-78.8-172.4174.5177.90116.9N178N178-K180 PolarHBondContact O-N 3.21Å; N178-K180 VanDerWaalsContact O-N 3.09Å
181E41.1Very low56.9Low180 Ų180119.8 Ų119.884%0.84162%0.621SS**  trans-106.6109.1177.3-64-149.3131.200112.5
182G40.1Very low58.8Low65 Ų65115.6 Ų115.667%0.6760%0.599SS**  trans-78.4123.1179.900000113.1R184G182-R184 PolarHBondContact O-N 3.41Å; G182-R184 VanDerWaalsContact O-N 3.14Å
183A44Very low60.2Low110 Ų110112.2 Ų112.291%0.90958%0.583SS**SBendtrans47.846.5154.600000117
184R41.3Very low61Low232 Ų232107.4 Ų107.488%0.87556%0.558SS**  trans-119108.3165.8-75.8-174171.7170.5-1.2111.4G182G182-R184 PolarHBondContact O-N 3.41Å; G182-R184 VanDerWaalsContact O-N 3.14Å
185T36.2Very low61.7Low130 Ų130105 Ų10580%0.79855%0.55SS**  trans29.5112.7160.145.90000117.7R187T185-R187 PolarHBondContact O-N 2.66Å
186L40.9Very low62.4Low170 Ų170101.3 Ų101.389%0.8953%0.527SS*.  trans-5471.1171.3-168.394.9000114.2
187R42Very low63.4Low229 Ų229104.2 Ų104.286%0.86455%0.545SS*.  trans-74.7122143.9-74.5-173.7174179.6-2105.9T185 A189T185-R187 PolarHBondContact O-N 2.66Å; R187-A189 VanDerWaalsContact C-N 3.29Å; R187-A189 PolarHBondContact O-N 3.22Å
188T42.6Very low64.6Low125 Ų125106.3 Ų106.377%0.76756%0.559SS**  trans-6397.1163.445.20000107.4E190T188-E190 PolarHBondContact O-N 3.39Å
189A54.3Low66.5Low49 Ų49103.1 Ų103.141%0.40554%0.543SS..  trans-48.8134.9160.500000107.3R187 R191R187-A189 VanDerWaalsContact C-N 3.29Å; R187-A189 PolarHBondContact O-N 3.22Å; A189-R191 VanDerWaalsContact C-N 3.26Å; A189-R191 WeakPolarHBondContact O-CG 3.45Å; A189-R191 PolarHBondContact O-N 3.37Å
190E74.8Confident68.6Low122 Ų12299.1 Ų99.157%0.5751%0.512SS*.  trans-70.682.8-169.1-167-165.3153.300109.8T188 V192 P205 R224T188-E190 PolarHBondContact O-N 3.39Å; E190-V192 PolarHBondContact O-N 3.16Å; E190-P205 WeakPolarHBondContact O-CD 3.39Å; E190-P205 WeakPolarHBondContact O-CG 3.42Å; E190-R224 VanDerWaalsContact CD-NH1 3.29Å; E190-R224 IonicContact OE1-CZ 2.9Å; E190-R224 IonicContact OE1-NH1 3.67Å; E190-R224 PolarHBondContact OE1-NH1 3.47Å; E190-R224 IonicContact OE1-NH2 2.76Å; E190-R224 PolarHBondContact OE1-NH2 3.28Å; E190-R224 IonicContact OE2-CZ 2.74Å; E190-R224 IonicContact OE2-NH1 2.78Å; E190-R224 PolarHBondContact OE2-NH1 3.13Å; E190-R224 IonicContact OE2-NH2 2.78Å
191R87.3Confident70.7Confident117 Ų11790.4 Ų90.444%0.44247%0.474SS..  trans-66.2128.4-175.2-63.8-169.1-175-173.5-0.4109.5E177 A189 V202 V203E177-R191 IonicContact OE1-CZ 3.61Å; E177-R191 IonicContact OE1-NH1 3.63Å; E177-R191 PolarHBondContact OE1-NH1 2.7Å; E177-R191 IonicContact OE1-NH2 3.41Å; E177-R191 PolarHBondContact OE1-NH2 2.76Å; A189-R191 VanDerWaalsContact C-N 3.26Å; A189-R191 WeakPolarHBondContact O-CG 3.45Å; A189-R191 PolarHBondContact O-N 3.37Å; R191-V202 HydrophobicContact CB-CG1 3.87Å; R191-V202 HydrophobicContact CG-CG1 4.48Å; R191-V203 CarbonylContact C-O 3.56Å; R191-V203 VanDerWaalsContact CA-O 3.29Å; R191-V203 WeakPolarHBondContact CA-O 3.28Å
192V90Very high73.3Confident6 Ų683.1 Ų83.14%0.03644%0.442CS..EExtended strand (participates in β ladder)trans-98.2135.8177.2169.70000108.4E190 L194 V203 P205 F220 F237E190-V192 PolarHBondContact O-N 3.16Å; V192-L194 HydrophobicContact CG1-CD2 3.67Å; V192-L194 HydrophobicContact CG1-CG 4.4Å; V192-V203 HydrophobicContact CB-CG2 4.49Å; V192-V203 PolarHBondContact N-O 3.1Å; V192-V203 WeakPolarHBondContact O-CG2 3.33Å; V192-V203 PolarHBondContact O-N 3.21Å; V192-P205 HydrophobicContact CB-CG 4.14Å; V192-P205 HydrophobicContact CG2-CG 3.59Å; V192-F220 HydrophobicContact CG1-CE1 3.92Å; V192-F220 HydrophobicContact CG1-CZ 4.39Å; V192-F237 HydrophobicContact CG1-CD2 3.51Å; V192-F237 HydrophobicContact CG1-CE2 3.84Å; V192-F237 HydrophobicContact CG1-CG 4.33Å; V192-F237 HydrophobicContact CG2-CE2 4.5Å
193T93.3Very high75.8Confident29 Ų2980 Ų8018%0.17841%0.41CS..EExtended strand (participates in β ladder)trans-92115.4169.2-56.10000108.8R200 V202 E236 F237T193-R200 HydrophobicContact CG2-CB 4.01Å; T193-V202 HydrophobicContact CG2-CG2 4.48Å; T193-E236 HydrophobicContact CG2-CB 4.27Å; T193-E236 HydrophobicContact CG2-CG 4.03Å; T193-F237 PolarHBondContact O-N 3.42Å
194L94.3Very high78Confident0 Ų076.5 Ų76.50%038%0.376CS..EExtended strand (participates in β ladder)trans-93.7136.9168.7-52.5-179.2000109.1V192 R200 F201 V203 F208 F220 F237 V239 F248V192-L194 HydrophobicContact CG1-CD2 3.67Å; V192-L194 HydrophobicContact CG1-CG 4.4Å; L194-R200 WeakPolarHBondContact O-CA 3.27Å; L194-F201 HydrophobicContact CB-CB 4.31Å; L194-F201 PolarHBondContact N-O 3.03Å; L194-F201 PolarHBondContact O-N 2.71Å; L194-V203 HydrophobicContact CD1-CG2 3.97Å; L194-V203 HydrophobicContact CG-CG2 4.03Å; L194-F208 HydrophobicContact CD1-CE2 4.36Å; L194-F208 HydrophobicContact CD1-CZ 3.84Å; L194-F220 HydrophobicContact CD2-CE1 4.2Å; L194-F220 HydrophobicContact CD2-CE2 3.64Å; L194-F220 HydrophobicContact CD2-CZ 3.41Å; L194-F220 VanDerWaalsContact CD2-CZ 3.41Å; L194-F237 CarbonylContact C-O 3.53Å; L194-F237 WeakPolarHBondContact CA-O 3.4Å; L194-F237 HydrophobicContact CD2-CB 4.01Å; L194-V239 HydrophobicContact CB-CG2 4.03Å; L194-V239 HydrophobicContact CD1-CG2 4.43Å; L194-V239 HydrophobicContact CD2-CG1 4.35Å; L194-V239 HydrophobicContact CD2-CG2 4.38Å; L194-F248 HydrophobicContact CD1-CE1 4.23Å; L194-F248 HydrophobicContact CD1-CZ 3.88Å
195I94.3Very high80.2Confident26 Ų2666.3 Ų66.313%0.13334%0.339CS..EExtended strand (participates in β ladder)trans-109123.7172.8-55179.2000107.8T199 E236 F237 E238 V239I195-T199 WeakPolarHBondContact CA-O 3.29Å; I195-E236 HydrophobicContact CD1-CB 3.73Å; I195-E236 HydrophobicContact CD1-CG 4.47Å; I195-E236 HydrophobicContact CG1-CB 4.09Å; I195-F237 PolarHBondContact N-O 2.83Å; I195-E238 HydrophobicContact CB-CG 3.88Å; I195-E238 HydrophobicContact CD1-CG 4.1Å; I195-E238 HydrophobicContact CG1-CG 4.45Å; I195-E238 HydrophobicContact CG2-CG 4.25Å; I195-V239 PolarHBondContact O-N 2.92Å
196V95.2Very high82.7Confident3 Ų362.2 Ų62.22%0.01832%0.319CS..EExtended strand (participates in β ladder)trans-142.4129178.2-174.50000107.8N198 T199 F201 V239 A240 I243 F248V196-N198 VanDerWaalsContact C-N 3.29Å; V196-N198 PolarHBondContact O-N 2.75Å; V196-T199 PolarHBondContact N-O 3.01Å; V196-T199 WeakPolarHBondContact O-CA 3.46Å; V196-T199 VanDerWaalsContact O-CB 3.31Å; V196-T199 WeakPolarHBondContact O-CB 3.2Å; V196-T199 PolarHBondContact O-N 2.56Å; V196-F201 HydrophobicContact CB-CD2 4.32Å; V196-F201 HydrophobicContact CB-CE2 4Å; V196-F201 HydrophobicContact CG2-CD2 4.4Å; V196-V239 HydrophobicContact CG2-CG2 3.61Å; V196-A240 HydrophobicContact CG1-CB 3.9Å; V196-A240 HydrophobicContact CG2-CB 3.99Å; V196-I243 VanDerWaalsContact CG1-O 3.28Å; V196-I243 WeakPolarHBondContact CG1-O 3.22Å; V196-F248 HydrophobicContact CB-CB 4.42Å; V196-F248 HydrophobicContact CB-CD1 4.17Å; V196-F248 HydrophobicContact CB-CD2 4.46Å; V196-F248 HydrophobicContact CB-CG 4.1Å; V196-F248 HydrophobicContact CG1-CB 3.94Å; V196-F248 HydrophobicContact CG1-CD2 4.11Å; V196-F248 HydrophobicContact CG1-CG 3.93Å; V196-F248 HydrophobicContact CG2-CD1 3.73Å; V196-F248 HydrophobicContact CG2-CD2 3.89Å; V196-F248 HydrophobicContact CG2-CE1 3.7Å; V196-F248 HydrophobicContact CG2-CE2 3.87Å; V196-F248 HydrophobicContact CG2-CG 3.83Å; V196-F248 HydrophobicContact CG2-CZ 3.78Å
197D94.7Very high85.1Confident85 Ų8554.6 Ų54.646%0.45528%0.279SS..THydrogen-bonded Turntrans49.451.9179.8175.340.3000111.5T199 S245D197-T199 PolarHBondContact O-N 3.02Å; D197-T199 PolarHBondContact O-OG1 2.76Å; D197-S245 WeakPolarHBondContact OD2-CB 3.36Å; D197-S245 PolarHBondContact OD2-N 3.44Å; D197-S245 PolarHBondContact OD2-OG 3.25Å
198N92.9Very high87.4Confident151 Ų15143.7 Ų43.781%0.80724%0.238SC*.THydrogen-bonded Turntrans49.410.5-172.9-67.7102.9000116.5V196V196-N198 VanDerWaalsContact C-N 3.29Å; V196-N198 PolarHBondContact O-N 2.75Å
199T95.5Very high89.6Confident15 Ų1541.7 Ų41.79%0.09223%0.226CC..EExtended strand (participates in β ladder)trans-105.4140.7-174.3-60.70000109.6L172 Y174 I195 V196 D197 F201 S245L172-T199 HydrophobicContact CB-CG2 4.18Å; Y174-T199 HydrophobicContact CD2-CG2 3.74Å; Y174-T199 HydrophobicContact CE2-CG2 3.62Å; I195-T199 WeakPolarHBondContact CA-O 3.29Å; V196-T199 PolarHBondContact N-O 3.01Å; V196-T199 WeakPolarHBondContact O-CA 3.46Å; V196-T199 VanDerWaalsContact O-CB 3.31Å; V196-T199 WeakPolarHBondContact O-CB 3.2Å; V196-T199 PolarHBondContact O-N 2.56Å; D197-T199 PolarHBondContact O-N 3.02Å; D197-T199 PolarHBondContact O-OG1 2.76Å; T199-F201 HydrophobicContact CG2-CD2 4.38Å; T199-F201 HydrophobicContact CG2-CE2 3.61Å; T199-F201 HydrophobicContact CG2-CZ 3.72Å; T199-F201 WeakPolarHBondContact O-CD2 3.46Å; T199-F201 WeakPolarHBondContact O-CE2 3.37Å; T199-S245 WeakPolarHBondContact OG1-CB 3.47Å
200R95.6Very high91.2Very high55 Ų5542.3 Ų42.321%0.20823%0.231CC..EExtended strand (participates in β ladder)trans-103128.5-173.4-47.8-160.9-144.1-1698.3111.8D171 L172 I173 Y174 T193 L194 E236D171-R200 IonicContact OD1-CZ 3.44Å; D171-R200 IonicContact OD1-NE 3.28Å; D171-R200 PolarHBondContact OD1-NE 3.26Å; D171-R200 IonicContact OD1-NH2 3.61Å; D171-R200 PolarHBondContact OD1-NH2 3.09Å; D171-R200 IonicContact OD2-CZ 2.74Å; D171-R200 IonicContact OD2-NH2 3.7Å; D171-R200 PolarHBondContact OD2-NH2 2.78Å; L172-R200 PolarHBondContact O-N 2.9Å; I173-R200 WeakPolarHBondContact CA-O 3.34Å; I173-R200 HydrophobicContact CG1-CB 4.32Å; Y174-R200 PolarHBondContact N-O 3.18Å; T193-R200 HydrophobicContact CG2-CB 4.01Å; L194-R200 WeakPolarHBondContact O-CA 3.27Å; R200-E236 WeakPolarHBondContact CD-OE1 3.44Å; R200-E236 IonicContact CZ-OE1 3.18Å; R200-E236 IonicContact NE-OE1 3.61Å; R200-E236 IonicContact NH1-OE1 3.64Å; R200-E236 PolarHBondContact NH1-OE1 3.49Å; R200-E236 IonicContact NH1-OE2 2.68Å; R200-E236 PolarHBondContact NH1-OE2 3.03Å
201F95.3Very high92Very high0 Ų039 Ų390%022%0.215CC..EExtended strand (participates in β ladder)trans-118.5102.4-177.9-62.4-96.1000108.9Y174 Y176 L194 V196 T199 V203 S245 F248 R249 L252Y174-F201 HydrophobicContact CD2-CD1 4.43Å; Y174-F201 HydrophobicContact CD2-CE1 4.03Å; Y174-F201 HydrophobicContact CD2-CZ 4.38Å; Y174-F201 HydrophobicContact CG-CE1 4.42Å; Y176-F201 AromaticContact CE2-CD1 3.74Å; Y176-F201 HydrophobicContact CE2-CD1 3.74Å; Y176-F201 HydrophobicContact CE2-CE1 4.45Å; L194-F201 HydrophobicContact CB-CB 4.31Å; L194-F201 PolarHBondContact N-O 3.03Å; L194-F201 PolarHBondContact O-N 2.71Å; V196-F201 HydrophobicContact CB-CD2 4.32Å; V196-F201 HydrophobicContact CB-CE2 4Å; V196-F201 HydrophobicContact CG2-CD2 4.4Å; T199-F201 HydrophobicContact CG2-CD2 4.38Å; T199-F201 HydrophobicContact CG2-CE2 3.61Å; T199-F201 HydrophobicContact CG2-CZ 3.72Å; T199-F201 WeakPolarHBondContact O-CD2 3.46Å; T199-F201 WeakPolarHBondContact O-CE2 3.37Å; F201-V203 HydrophobicContact CB-CG1 4.41Å; F201-V203 PolarHBondContact O-N 2.98Å; F201-S245 WeakPolarHBondContact CZ-O 3.48Å; F201-F248 HydrophobicContact CB-CE1 4.27Å; F201-F248 AromaticContact CD1-CD1 3.95Å; F201-F248 HydrophobicContact CD1-CD1 3.95Å; F201-F248 HydrophobicContact CD1-CE1 4.32Å; F201-F248 AromaticContact CD2-CD1 3.83Å; F201-F248 HydrophobicContact CD2-CD1 3.83Å; F201-F248 HydrophobicContact CD2-CE1 4.09Å; F201-F248 AromaticContact CE1-CD1 3.99Å; F201-F248 HydrophobicContact CE1-CD1 3.99Å; F201-F248 AromaticContact CE2-CD1 3.86Å; F201-F248 HydrophobicContact CE2-CD1 3.86Å; F201-F248 AromaticContact CG-CD1 3.89Å; F201-F248 HydrophobicContact CG-CD1 3.89Å; F201-F248 AromaticContact CG-CE1 3.98Å; F201-F248 HydrophobicContact CG-CE1 3.98Å; F201-F248 HydrophobicContact CZ-CB 4.43Å; F201-F248 AromaticContact CZ-CD1 3.95Å; F201-F248 HydrophobicContact CZ-CD1 3.95Å; F201-R249 HydrophobicContact CE1-CB 4.28Å; F201-L252 HydrophobicContact CB-CD1 4.14Å; F201-L252 HydrophobicContact CD1-CD1 3.51Å; F201-L252 HydrophobicContact CE1-CD1 4.29Å; F201-L252 HydrophobicContact CG-CD1 4.12Å
202V94.2Very high92.1Very high27 Ų2737 Ų3716%0.16422%0.217CC..EExtended strand (participates in β ladder)trans-86109.6176.5-178.40000108.4I173 Y174 V175 Y176 R191 T193I173-V202 HydrophobicContact CG2-CG2 3.84Å; Y174-V202 PolarHBondContact O-N 2.79Å; V175-V202 WeakPolarHBondContact CA-O 3.49Å; V175-V202 HydrophobicContact CG2-CB 4.35Å; Y176-V202 PolarHBondContact N-O 3.22Å; R191-V202 HydrophobicContact CB-CG1 3.87Å; R191-V202 HydrophobicContact CG-CG1 4.48Å; T193-V202 HydrophobicContact CG2-CG2 4.48Å
203V92.3Very high92.2Very high0 Ų042.5 Ų42.50%025%0.247CC..EExtended strand (participates in β ladder)trans-122150.9-172.2-61.60000111.3Y176 R191 V192 L194 F201 P205 I207 F208 L252Y176-V203 HydrophobicContact CD2-CG1 4.23Å; Y176-V203 HydrophobicContact CG-CG1 4.4Å; R191-V203 CarbonylContact C-O 3.56Å; R191-V203 VanDerWaalsContact CA-O 3.29Å; R191-V203 WeakPolarHBondContact CA-O 3.28Å; V192-V203 HydrophobicContact CB-CG2 4.49Å; V192-V203 PolarHBondContact N-O 3.1Å; V192-V203 WeakPolarHBondContact O-CG2 3.33Å; V192-V203 PolarHBondContact O-N 3.21Å; L194-V203 HydrophobicContact CD1-CG2 3.97Å; L194-V203 HydrophobicContact CG-CG2 4.03Å; F201-V203 HydrophobicContact CB-CG1 4.41Å; F201-V203 PolarHBondContact O-N 2.98Å; V203-P205 WeakPolarHBondContact O-CD 3.48Å; V203-I207 HydrophobicContact CB-CD1 4.24Å; V203-I207 HydrophobicContact CG1-CD1 4.4Å; V203-F208 HydrophobicContact CB-CE2 4.47Å; V203-F208 HydrophobicContact CB-CZ 4.48Å; V203-F208 HydrophobicContact CG2-CE2 3.74Å; V203-F208 HydrophobicContact CG2-CZ 3.97Å; V203-L252 HydrophobicContact CG1-CD1 4.08Å; V203-L252 HydrophobicContact CG1-CD2 4.1Å
204D90.9Very high92.2Very high36 Ų3641.3 Ų41.319%0.19324%0.239CC..  trans-80.6118.1162.1178.3-3.7000108.8A206 I207D204-A206 PolarHBondContact O-N 3.16Å; D204-A206 VanDerWaalsContact OD1-CB 3.28Å; D204-A206 WeakPolarHBondContact OD1-CB 3.31Å; D204-A206 PolarHBondContact OD1-N 3.12Å; D204-I207 WeakPolarHBondContact O-CG1 3.4Å; D204-I207 PolarHBondContact O-N 2.65Å; D204-I207 VanDerWaalsContact O-N 3.16Å
205P88.5Confident92.1Very high17 Ų1743.9 Ų43.911%0.1125%0.252CS..G310 helixtrans-54-25179-28.737.4000114.4E190 V192 V203 I207 F208 F220E190-P205 WeakPolarHBondContact O-CD 3.39Å; E190-P205 WeakPolarHBondContact O-CG 3.42Å; V192-P205 HydrophobicContact CB-CG 4.14Å; V192-P205 HydrophobicContact CG2-CG 3.59Å; V203-P205 WeakPolarHBondContact O-CD 3.48Å; P205-I207 PolarHBondContact O-N 2.89Å; P205-I207 VanDerWaalsContact O-N 3.1Å; P205-F208 WeakPolarHBondContact O-CD2 3.44Å; P205-F208 PolarHBondContact O-N 2.82Å; P205-F220 HydrophobicContact CB-CB 4.44Å
206A88.3Confident92.1Very high45 Ų4542.7 Ų42.737%0.37225%0.246SC..G310 helixtrans-56.4-27.8178.900000113.3D204 F208 T209D204-A206 PolarHBondContact O-N 3.16Å; D204-A206 VanDerWaalsContact OD1-CB 3.28Å; D204-A206 WeakPolarHBondContact OD1-CB 3.31Å; D204-A206 PolarHBondContact OD1-N 3.12Å; A206-F208 PolarHBondContact O-N 3.18Å; A206-T209 WeakPolarHBondContact O-CB 3.21Å; A206-T209 PolarHBondContact O-N 2.89Å; A206-T209 PolarHBondContact O-OG1 3.18Å
207I90.7Very high91.9Very high10 Ų1042.7 Ų42.75%0.05125%0.246CC..G310 helixtrans-62.4-31178.474.2-175.5000112.5V203 D204 P205 T209 A210 L252V203-I207 HydrophobicContact CB-CD1 4.24Å; V203-I207 HydrophobicContact CG1-CD1 4.4Å; D204-I207 WeakPolarHBondContact O-CG1 3.4Å; D204-I207 PolarHBondContact O-N 2.65Å; D204-I207 VanDerWaalsContact O-N 3.16Å; P205-I207 PolarHBondContact O-N 2.89Å; P205-I207 VanDerWaalsContact O-N 3.1Å; I207-T209 VanDerWaalsContact C-N 3.28Å; I207-T209 PolarHBondContact O-N 2.83Å; I207-A210 PolarHBondContact O-N 3.43Å; I207-L252 HydrophobicContact CD1-CD2 4.34Å
208F91.4Very high91.6Very high0 Ų046.1 Ų46.10%025%0.253CS..G310 helixtrans-73.4-21.4-178.1-56.9-61.2000112.8L194 V203 P205 A206 A210 Q211 L216 F220 L252 Y255L194-F208 HydrophobicContact CD1-CE2 4.36Å; L194-F208 HydrophobicContact CD1-CZ 3.84Å; V203-F208 HydrophobicContact CB-CE2 4.47Å; V203-F208 HydrophobicContact CB-CZ 4.48Å; V203-F208 HydrophobicContact CG2-CE2 3.74Å; V203-F208 HydrophobicContact CG2-CZ 3.97Å; P205-F208 WeakPolarHBondContact O-CD2 3.44Å; P205-F208 PolarHBondContact O-N 2.82Å; A206-F208 PolarHBondContact O-N 3.18Å; F208-A210 PolarHBondContact O-N 3Å; F208-Q211 CarbonylContact O-C 3.59Å; F208-Q211 PolarHBondContact O-N 3.45Å; F208-Q211 VanDerWaalsContact O-N 3.11Å; F208-L216 HydrophobicContact CD1-CB 3.61Å; F208-L216 HydrophobicContact CD1-CD1 4.31Å; F208-L216 HydrophobicContact CE1-CB 3.79Å; F208-L216 HydrophobicContact CE1-CD1 3.67Å; F208-L216 HydrophobicContact CE1-CG 4.36Å; F208-L216 HydrophobicContact CG-CB 4.24Å; F208-L216 HydrophobicContact CZ-CD1 4.32Å; F208-F220 HydrophobicContact CB-CB 4.19Å; F208-F220 HydrophobicContact CD2-CB 3.48Å; F208-F220 VanDerWaalsContact CD2-CB 3.48Å; F208-F220 HydrophobicContact CD2-CD2 4.05Å; F208-F220 HydrophobicContact CD2-CG 4.01Å; F208-F220 HydrophobicContact CE2-CB 4.2Å; F208-F220 HydrophobicContact CE2-CD2 4.07Å; F208-F220 HydrophobicContact CE2-CG 4.25Å; F208-F220 HydrophobicContact CG-CB 4.1Å; F208-L252 HydrophobicContact CE1-CD2 4.07Å; F208-L252 HydrophobicContact CZ-CD2 4.1Å; F208-Y255 AromaticContact CD1-CD1 3.64Å; F208-Y255 HydrophobicContact CD1-CD1 3.64Å; F208-Y255 HydrophobicContact CD1-CD2 4.06Å; F208-Y255 AromaticContact CD1-CE1 3.73Å; F208-Y255 HydrophobicContact CD1-CE1 3.73Å; F208-Y255 HydrophobicContact CD1-CE2 4.18Å; F208-Y255 AromaticContact CD1-CG 3.81Å; F208-Y255 HydrophobicContact CD1-CG 3.81Å; F208-Y255 HydrophobicContact CE1-CD1 4.37Å; F208-Y255 AromaticContact CE1-CD2 3.98Å; F208-Y255 HydrophobicContact CE1-CD2 3.98Å; F208-Y255 HydrophobicContact CE1-CE1 4.48Å; F208-Y255 HydrophobicContact CE1-CE2 4.12Å; F208-Y255 HydrophobicContact CE1-CG 4.13Å
209T87.7Confident91.4Very high82 Ų8240.1 Ų40.150%0.50322%0.22SC..G310 helixtrans-63.8-21.9176.569.70000113.4A206 I207 Q211A206-T209 WeakPolarHBondContact O-CB 3.21Å; A206-T209 PolarHBondContact O-N 2.89Å; A206-T209 PolarHBondContact O-OG1 3.18Å; I207-T209 VanDerWaalsContact C-N 3.28Å; I207-T209 PolarHBondContact O-N 2.83Å; T209-Q211 PolarHBondContact O-N 2.85Å
210A87.3Confident90.9Very high62 Ų6239.9 Ų39.951%0.51222%0.218SC..G310 helixtrans-70.4-18.8176.100000113.4I207 F208I207-A210 PolarHBondContact O-N 3.43Å; F208-A210 PolarHBondContact O-N 3Å
211Q91.6Very high90.1Very high53 Ų5337.7 Ų37.725%0.24821%0.213CC..  trans-13960.1-174.2-65.7-66.5-1000111.5F208 T209 N213 T214 Y254 Y255F208-Q211 CarbonylContact O-C 3.59Å; F208-Q211 PolarHBondContact O-N 3.45Å; F208-Q211 VanDerWaalsContact O-N 3.11Å; T209-Q211 PolarHBondContact O-N 2.85Å; Q211-N213 PolarHBondContact O-N 2.78Å; Q211-T214 HydrophobicContact CB-CG2 4.03Å; Q211-T214 PolarHBondContact O-N 2.74Å; Q211-T214 PolarHBondContact O-OG1 2.9Å; Q211-Y254 HydrophobicContact CB-CE1 4.07Å; Q211-Y254 HydrophobicContact CG-CD1 4.21Å; Q211-Y254 HydrophobicContact CG-CE1 3.56Å; Q211-Y254 PolarHBondContact OE1-OH 3.37Å; Q211-Y254 VanDerWaalsContact OE1-OH 3.13Å; Q211-Y255 HydrophobicContact CB-CD1 3.78Å; Q211-Y255 HydrophobicContact CB-CE1 3.75Å; Q211-Y255 HydrophobicContact CG-CD1 4.15Å; Q211-Y255 HydrophobicContact CG-CE1 4.48Å
212P90.8Very high88.7Confident74 Ų7444 Ų4448%0.48126%0.257SS..THydrogen-bonded Turntrans-67.7-13.5-166.729.4-37.3000114.6R218P212-R218 WeakPolarHBondContact O-CG 3.48Å
213N91.2Very high87.2Confident123 Ų12344.5 Ų44.566%0.65827%0.268SS*.THydrogen-bonded Turntrans-80.8-18179.7-72.4-32.3000113.9Q211 R218Q211-N213 PolarHBondContact O-N 2.78Å; N213-R218 PolarHBondContact O-NE 3.4Å; N213-R218 PolarHBondContact O-NH2 3.11Å
214T94.3Very high85.8Confident4 Ų449 Ų493%0.02529%0.285CS..SBendtrans-73.7166.7178.562.90000112.3Q211 G217 R218 Y254 Y255 I280Q211-T214 HydrophobicContact CB-CG2 4.03Å; Q211-T214 PolarHBondContact O-N 2.74Å; Q211-T214 PolarHBondContact O-OG1 2.9Å; T214-G217 PolarHBondContact O-N 2.7Å; T214-G217 WeakPolarHBondContact OG1-CA 3.29Å; T214-G217 PolarHBondContact OG1-N 3.1Å; T214-R218 WeakPolarHBondContact O-CG 3.22Å; T214-R218 PolarHBondContact O-N 3.13Å; T214-Y254 HydrophobicContact CG2-CE1 4.2Å; T214-Y255 WeakPolarHBondContact CB-OH 3.34Å; T214-Y255 HydrophobicContact CG2-CE1 4.24Å; T214-Y255 WeakPolarHBondContact OG1-CE1 3.48Å; T214-Y255 PolarHBondContact OG1-OH 2.74Å; T214-Y255 VanDerWaalsContact OG1-OH 3.11Å; T214-I280 HydrophobicContact CG2-CG1 3.8Å
215M92.6Very high84.1Confident54 Ų5455.9 Ų55.927%0.26632%0.316SS..Hα-helixtrans-57.4-51.2174.7-177.6-174.2-77.600111.6R218 M219 Y277 L278M215-R218 PolarHBondContact O-N 2.73Å; M215-M219 HydrophobicContact CG-SD 3.67Å; M215-M219 WeakPolarHBondContact O-CB 3.31Å; M215-M219 VanDerWaalsContact O-CG 3.32Å; M215-M219 WeakPolarHBondContact O-CG 3.34Å; M215-M219 PolarHBondContact O-N 3.06Å; M215-M219 HydrophobicContact SD-SD 4.23Å; M215-Y277 HydrophobicContact CE-CD1 3.88Å; M215-Y277 HydrophobicContact CE-CE1 3.66Å; M215-Y277 WeakPolarHBondContact CE-O 3.37Å; M215-Y277 HydrophobicContact SD-CD1 4.13Å; M215-Y277 HydrophobicContact SD-CE1 3.65Å; M215-L278 HydrophobicContact CB-CD2 4.29Å; M215-L278 WeakPolarHBondContact CB-O 3.3Å; M215-L278 PolarHBondContact N-O 3.28Å; M215-L278 HydrophobicContact SD-CD2 3.86Å
216L92.5Very high82.5Confident0 Ų064.9 Ų64.90%035%0.349CS..Hα-helixtrans-70-33.8179.8-55.6177.7000112.2F208 R218 M219 F220 F248 Y255 L278F208-L216 HydrophobicContact CD1-CB 3.61Å; F208-L216 HydrophobicContact CD1-CD1 4.31Å; F208-L216 HydrophobicContact CE1-CB 3.79Å; F208-L216 HydrophobicContact CE1-CD1 3.67Å; F208-L216 HydrophobicContact CE1-CG 4.36Å; F208-L216 HydrophobicContact CG-CB 4.24Å; F208-L216 HydrophobicContact CZ-CD1 4.32Å; L216-R218 VanDerWaalsContact C-N 3.26Å; L216-R218 PolarHBondContact O-N 3.23Å; L216-M219 HydrophobicContact CD2-SD 4.48Å; L216-M219 PolarHBondContact O-N 3.35Å; L216-F220 HydrophobicContact CB-CD2 4.39Å; L216-F220 HydrophobicContact CD2-CD2 4.39Å; L216-F220 HydrophobicContact CD2-CE2 4.08Å; L216-F220 PolarHBondContact O-N 3.34Å; L216-F248 HydrophobicContact CD1-CE2 3.92Å; L216-F248 HydrophobicContact CD1-CZ 3.94Å; L216-Y255 HydrophobicContact CB-CE1 4.47Å; L216-Y255 HydrophobicContact CD1-CE2 3.96Å; L216-L278 HydrophobicContact CD2-CD2 4.47Å; L216-L278 HydrophobicContact CG-CD2 4.27Å
217G91.4Very high81.2Confident3 Ų364.9 Ų64.93%0.03134%0.343CS..Hα-helixtrans-57.8-37.2172.200000113.2T214 G221T214-G217 PolarHBondContact O-N 2.7Å; T214-G217 WeakPolarHBondContact OG1-CA 3.29Å; T214-G217 PolarHBondContact OG1-N 3.1Å; G217-G221 VanDerWaalsContact O-CA 3.31Å; G217-G221 WeakPolarHBondContact O-CA 3.44Å; G217-G221 PolarHBondContact O-N 2.65Å; G217-G221 VanDerWaalsContact O-N 3.1Å
218R89.5Confident79.7Confident157 Ų15774.1 Ų74.159%0.59238%0.383SS*.Hα-helixtrans-76.6-46.9173-64.8173.7-166.6-176.97111.7P212 N213 T214 M215 L216 F220P212-R218 WeakPolarHBondContact O-CG 3.48Å; N213-R218 PolarHBondContact O-NE 3.4Å; N213-R218 PolarHBondContact O-NH2 3.11Å; T214-R218 WeakPolarHBondContact O-CG 3.22Å; T214-R218 PolarHBondContact O-N 3.13Å; M215-R218 PolarHBondContact O-N 2.73Å; L216-R218 VanDerWaalsContact C-N 3.26Å; L216-R218 PolarHBondContact O-N 3.23Å; R218-F220 VanDerWaalsContact C-N 3.3Å; R218-F220 PolarHBondContact O-N 3.01Å
219M87.3Confident78.7Confident25 Ų2576.6 Ų76.612%0.12340%0.398CS..Hα-helixtrans-66.7-23.1-177.6-72.5172.45500114.8M215 L216 N227 T229 V239M215-M219 HydrophobicContact CG-SD 3.67Å; M215-M219 WeakPolarHBondContact O-CB 3.31Å; M215-M219 VanDerWaalsContact O-CG 3.32Å; M215-M219 WeakPolarHBondContact O-CG 3.34Å; M215-M219 PolarHBondContact O-N 3.06Å; M215-M219 HydrophobicContact SD-SD 4.23Å; L216-M219 HydrophobicContact CD2-SD 4.48Å; L216-M219 PolarHBondContact O-N 3.35Å; M219-N227 PolarHBondContact O-ND2 2.96Å; M219-N227 PolarHBondContact O-OD1 2.97Å; M219-T229 HydrophobicContact CE-CG2 3.81Å; M219-V239 HydrophobicContact CE-CG1 3.63Å
220F86.7Confident78.2Confident10 Ų1083 Ų834%0.04441%0.413CS..Hα-helixtrans-131.14.4-176.4-60.8-70.1000114.1V192 L194 P205 F208 L216 R218 F237V192-F220 HydrophobicContact CG1-CE1 3.92Å; V192-F220 HydrophobicContact CG1-CZ 4.39Å; L194-F220 HydrophobicContact CD2-CE1 4.2Å; L194-F220 HydrophobicContact CD2-CE2 3.64Å; L194-F220 HydrophobicContact CD2-CZ 3.41Å; L194-F220 VanDerWaalsContact CD2-CZ 3.41Å; P205-F220 HydrophobicContact CB-CB 4.44Å; F208-F220 HydrophobicContact CB-CB 4.19Å; F208-F220 HydrophobicContact CD2-CB 3.48Å; F208-F220 VanDerWaalsContact CD2-CB 3.48Å; F208-F220 HydrophobicContact CD2-CD2 4.05Å; F208-F220 HydrophobicContact CD2-CG 4.01Å; F208-F220 HydrophobicContact CE2-CB 4.2Å; F208-F220 HydrophobicContact CE2-CD2 4.07Å; F208-F220 HydrophobicContact CE2-CG 4.25Å; F208-F220 HydrophobicContact CG-CB 4.1Å; L216-F220 HydrophobicContact CB-CD2 4.39Å; L216-F220 HydrophobicContact CD2-CD2 4.39Å; L216-F220 HydrophobicContact CD2-CE2 4.08Å; L216-F220 PolarHBondContact O-N 3.34Å; R218-F220 VanDerWaalsContact C-N 3.3Å; R218-F220 PolarHBondContact O-N 3.01Å; F220-F237 HydrophobicContact CE1-CD1 4.12Å; F220-F237 HydrophobicContact CE1-CD2 4.43Å; F220-F237 HydrophobicContact CE1-CE1 4.22Å; F220-F237 HydrophobicContact CE1-CG 4.22Å; F220-F237 HydrophobicContact CE1-CZ 4.42Å; F220-F237 HydrophobicContact CZ-CB 4.3Å; F220-F237 HydrophobicContact CZ-CD1 4.14Å; F220-F237 HydrophobicContact CZ-CG 4.15Å
221G77.9Confident78.1Confident10 Ų1083 Ų8310%0.10341%0.408CS..SBendtrans-83.9-161.4172.800000113.9G217 G223 R224G217-G221 VanDerWaalsContact O-CA 3.31Å; G217-G221 WeakPolarHBondContact O-CA 3.44Å; G217-G221 PolarHBondContact O-N 2.65Å; G217-G221 VanDerWaalsContact O-N 3.1Å; G221-G223 PolarHBondContact O-N 3.36Å; G221-R224 PolarHBondContact O-N 2.93Å
222S66.3Low77.9Confident131 Ų13182.5 Ų82.592%0.91641%0.407SS*.THydrogen-bonded Turntrans-62.2-12.8-172.8-47.80000115.6R224S222-R224 VanDerWaalsContact C-N 3.28Å; S222-R224 PolarHBondContact O-N 3.47Å
223G61.9Low77.8Confident39 Ų3987.6 Ų87.640%0.40243%0.43SS..THydrogen-bonded Turntrans-84.611.3177.100000115G221 E225 Y226G221-G223 PolarHBondContact O-N 3.36Å; G223-E225 PolarHBondContact O-N 3.45Å; G223-Y226 PolarHBondContact O-N 3.34Å
224R62.8Low77.6Confident94 Ų9489.2 Ų89.236%0.35543%0.431SS..G310 helixtrans-51.6-27.7-167.8-166.4176.8178.9-153.9-3.9115.2E190 G221 S222 Y226 N227E190-R224 VanDerWaalsContact CD-NH1 3.29Å; E190-R224 IonicContact OE1-CZ 2.9Å; E190-R224 IonicContact OE1-NH1 3.67Å; E190-R224 PolarHBondContact OE1-NH1 3.47Å; E190-R224 IonicContact OE1-NH2 2.76Å; E190-R224 PolarHBondContact OE1-NH2 3.28Å; E190-R224 IonicContact OE2-CZ 2.74Å; E190-R224 IonicContact OE2-NH1 2.78Å; E190-R224 PolarHBondContact OE2-NH1 3.13Å; E190-R224 IonicContact OE2-NH2 2.78Å; G221-R224 PolarHBondContact O-N 2.93Å; S222-R224 VanDerWaalsContact C-N 3.28Å; S222-R224 PolarHBondContact O-N 3.47Å; R224-Y226 VanDerWaalsContact C-N 3.27Å; R224-Y226 PolarHBondContact O-N 2.85Å; R224-N227 WeakPolarHBondContact CA-ND2 3.43Å; R224-N227 WeakPolarHBondContact O-CB 3.46Å; R224-N227 PolarHBondContact O-N 3.34Å; R224-N227 PolarHBondContact O-ND2 2.97Å
225E55Low77.2Confident180 Ų18091 Ų9184%0.84145%0.451SS*.G310 helixtrans-69.4-19.9178.6-62.3178.1-166.200113.8G223G223-E225 PolarHBondContact O-N 3.45Å
226Y55.4Low77.2Confident206 Ų20689.2 Ų89.281%0.80844%0.442SS*.G310 helixtrans-106.611.1179.1-59.1-72000113.6G223 R224 F228G223-Y226 PolarHBondContact O-N 3.34Å; R224-Y226 VanDerWaalsContact C-N 3.27Å; R224-Y226 PolarHBondContact O-N 2.85Å; Y226-F228 PolarHBondContact O-N 3.03Å
227N61.2Low77.1Confident46 Ų4690.1 Ų90.125%0.24645%0.446CS..  trans-64.6124.7-178.9-82.6-23.4000112.6M219 R224M219-N227 PolarHBondContact O-ND2 2.96Å; M219-N227 PolarHBondContact O-OD1 2.97Å; R224-N227 WeakPolarHBondContact CA-ND2 3.43Å; R224-N227 WeakPolarHBondContact O-CB 3.46Å; R224-N227 PolarHBondContact O-N 3.34Å; R224-N227 PolarHBondContact O-ND2 2.97Å
228F59.9Low77.2Confident203 Ų20395.9 Ų95.989%0.8947%0.472SS*.  trans-75.8-29.6171.7-152.2-94.2000112.4Y226 R230Y226-F228 PolarHBondContact O-N 3.03Å; F228-R230 PolarHBondContact O-N 3.42Å
229T69.2Low77.2Confident52 Ų5289.2 Ų89.232%0.31945%0.449SS..  trans-71.7107.9180-38.80000110.6M219 F237M219-T229 HydrophobicContact CE-CG2 3.81Å; T229-F237 HydrophobicContact CG2-CD1 4.3Å
230R76.5Confident77.4Confident217 Ų21788.1 Ų88.182%0.81944%0.444SS*.  trans-88.6146174.4-61.9-177.3-179.1-168.7-0.8110.1F228F228-R230 PolarHBondContact O-N 3.42Å
231P85.8Confident77.6Confident61 Ų6194.2 Ų94.240%0.39648%0.477SS..  trans-67.7159.4167.330.3-34000110.9E236 F237P231-E236 CarbonylContact C-O 3.5Å; P231-E236 VanDerWaalsContact CA-O 3.31Å; P231-E236 WeakPolarHBondContact CA-O 3.4Å; P231-F237 HydrophobicContact CB-CD1 4.4Å; P231-F237 HydrophobicContact CB-CD2 4.07Å; P231-F237 HydrophobicContact CB-CE1 4.16Å; P231-F237 HydrophobicContact CB-CE2 3.81Å; P231-F237 HydrophobicContact CB-CG 4.37Å; P231-F237 HydrophobicContact CB-CZ 3.86Å; P231-F237 HydrophobicContact CG-CE1 4.4Å; P231-F237 HydrophobicContact CG-CE2 4.38Å; P231-F237 HydrophobicContact CG-CZ 4.03Å
232N87.8Confident78.3Confident44 Ų4497.5 Ų97.524%0.23551%0.511CS..  trans-74.1179.2168.869.921.7000111.7K234 G235 E236 E238N232-K234 PolarHBondContact O-N 3.08Å; N232-K234 WeakPolarHBondContact OD1-CB 3.25Å; N232-K234 PolarHBondContact OD1-N 2.89Å; N232-G235 PolarHBondContact O-N 3Å; N232-E236 VanDerWaalsContact CG-O 3.28Å; N232-E236 PolarHBondContact N-O 3.23Å; N232-E236 PolarHBondContact OD1-N 3.28Å; N232-E236 VanDerWaalsContact OD1-N 3.15Å; N232-E236 PolarHBondContact OD1-O 3.34Å; N232-E238 PolarHBondContact ND2-OE1 2.79Å
233D88.8Confident79.8Confident180 Ų18091.9 Ų91.996%0.96347%0.47SS*.THydrogen-bonded Turntrans-57.3-13.4-177.1-59.7-38.8000115.1
234K87.3Confident81.5Confident157 Ų15791.4 Ų91.468%0.68346%0.46SS*.THydrogen-bonded Turntrans-99.6-3.3178.6-59.4166.1-176.1163.50113.3N232 E236N232-K234 PolarHBondContact O-N 3.08Å; N232-K234 WeakPolarHBondContact OD1-CB 3.25Å; N232-K234 PolarHBondContact OD1-N 2.89Å; K234-E236 HydrophobicContact CB-CG 3.93Å; K234-E236 WeakPolarHBondContact CD-OE2 3.46Å
235G86.3Confident83Confident43 Ų4387.8 Ų87.844%0.44345%0.45SS..SBendtrans82.710.9-171.800000114.3N232N232-G235 PolarHBondContact O-N 3Å
236E91.5Very high85Confident16 Ų1681.1 Ų81.18%0.07542%0.422CS..  trans-96.6146.8-178.1-49.6178.7116.800110.1T193 I195 R200 P231 N232 K234T193-E236 HydrophobicContact CG2-CB 4.27Å; T193-E236 HydrophobicContact CG2-CG 4.03Å; I195-E236 HydrophobicContact CD1-CB 3.73Å; I195-E236 HydrophobicContact CD1-CG 4.47Å; I195-E236 HydrophobicContact CG1-CB 4.09Å; R200-E236 WeakPolarHBondContact CD-OE1 3.44Å; R200-E236 IonicContact CZ-OE1 3.18Å; R200-E236 IonicContact NE-OE1 3.61Å; R200-E236 IonicContact NH1-OE1 3.64Å; R200-E236 PolarHBondContact NH1-OE1 3.49Å; R200-E236 IonicContact NH1-OE2 2.68Å; R200-E236 PolarHBondContact NH1-OE2 3.03Å; P231-E236 CarbonylContact C-O 3.5Å; P231-E236 VanDerWaalsContact CA-O 3.31Å; P231-E236 WeakPolarHBondContact CA-O 3.4Å; N232-E236 VanDerWaalsContact CG-O 3.28Å; N232-E236 PolarHBondContact N-O 3.23Å; N232-E236 PolarHBondContact OD1-N 3.28Å; N232-E236 VanDerWaalsContact OD1-N 3.15Å; N232-E236 PolarHBondContact OD1-O 3.34Å; K234-E236 HydrophobicContact CB-CG 3.93Å; K234-E236 WeakPolarHBondContact CD-OE2 3.46Å
237F91.5Very high87Confident19 Ų1971.3 Ų71.38%0.08338%0.383CS..EExtended strand (participates in β ladder)trans-109.3114.6-177.9-66.5-106.1000110.3V192 T193 L194 I195 F220 T229 P231 V239V192-F237 HydrophobicContact CG1-CD2 3.51Å; V192-F237 HydrophobicContact CG1-CE2 3.84Å; V192-F237 HydrophobicContact CG1-CG 4.33Å; V192-F237 HydrophobicContact CG2-CE2 4.5Å; T193-F237 PolarHBondContact O-N 3.42Å; L194-F237 CarbonylContact C-O 3.53Å; L194-F237 WeakPolarHBondContact CA-O 3.4Å; L194-F237 HydrophobicContact CD2-CB 4.01Å; I195-F237 PolarHBondContact N-O 2.83Å; F220-F237 HydrophobicContact CE1-CD1 4.12Å; F220-F237 HydrophobicContact CE1-CD2 4.43Å; F220-F237 HydrophobicContact CE1-CE1 4.22Å; F220-F237 HydrophobicContact CE1-CG 4.22Å; F220-F237 HydrophobicContact CE1-CZ 4.42Å; F220-F237 HydrophobicContact CZ-CB 4.3Å; F220-F237 HydrophobicContact CZ-CD1 4.14Å; F220-F237 HydrophobicContact CZ-CG 4.15Å; T229-F237 HydrophobicContact CG2-CD1 4.3Å; P231-F237 HydrophobicContact CB-CD1 4.4Å; P231-F237 HydrophobicContact CB-CD2 4.07Å; P231-F237 HydrophobicContact CB-CE1 4.16Å; P231-F237 HydrophobicContact CB-CE2 3.81Å; P231-F237 HydrophobicContact CB-CG 4.37Å; P231-F237 HydrophobicContact CB-CZ 3.86Å; P231-F237 HydrophobicContact CG-CE1 4.4Å; P231-F237 HydrophobicContact CG-CE2 4.38Å; P231-F237 HydrophobicContact CG-CZ 4.03Å; F237-V239 HydrophobicContact CB-CG1 4.14Å
238E91.8Very high88.7Confident124 Ų12469.1 Ų69.158%0.57937%0.371SS*.EExtended strand (participates in β ladder)trans-77.1122.8170.1-73.6154.5-134.400109I195 N232I195-E238 HydrophobicContact CB-CG 3.88Å; I195-E238 HydrophobicContact CD1-CG 4.1Å; I195-E238 HydrophobicContact CG1-CG 4.45Å; I195-E238 HydrophobicContact CG2-CG 4.25Å; N232-E238 PolarHBondContact ND2-OE1 2.79Å
239V91.4Very high90.4Very high17 Ų1763 Ų6310%0.10334%0.342CS..  trans-144.5168.6-172.7-56.50000110.7L194 I195 V196 M219 F237 D241 F248L194-V239 HydrophobicContact CB-CG2 4.03Å; L194-V239 HydrophobicContact CD1-CG2 4.43Å; L194-V239 HydrophobicContact CD2-CG1 4.35Å; L194-V239 HydrophobicContact CD2-CG2 4.38Å; I195-V239 PolarHBondContact O-N 2.92Å; V196-V239 HydrophobicContact CG2-CG2 3.61Å; M219-V239 HydrophobicContact CE-CG1 3.63Å; F237-V239 HydrophobicContact CB-CG1 4.14Å; V239-D241 PolarHBondContact O-N 3.47Å; V239-F248 HydrophobicContact CG2-CZ 4.29Å
240A90.6Very high91.7Very high2 Ų260.8 Ų60.82%0.01733%0.33CS..  trans56.945.3169.400000113.5V196 I243 F248 L278V196-A240 HydrophobicContact CG1-CB 3.9Å; V196-A240 HydrophobicContact CG2-CB 3.99Å; A240-I243 HydrophobicContact CB-CB 4.25Å; A240-I243 HydrophobicContact CB-CD1 4.05Å; A240-I243 WeakPolarHBondContact O-CB 3.26Å; A240-I243 PolarHBondContact O-N 3.38Å; A240-I243 VanDerWaalsContact O-N 3.09Å; A240-F248 HydrophobicContact CB-CD2 3.84Å; A240-F248 HydrophobicContact CB-CE2 3.79Å; A240-L278 HydrophobicContact CB-CD2 4.24Å
241D91.3Very high92.6Very high138 Ų13850.5 Ų50.574%0.73829%0.291SS*.THydrogen-bonded Turntrans-58.5143178.9-173.127.4000111.6V239 I243 Y277V239-D241 PolarHBondContact O-N 3.47Å; D241-I243 PolarHBondContact O-N 2.87Å; D241-Y277 PolarHBondContact N-OH 3.18Å
242G93.1Very high93.1Very high79 Ų7947.6 Ų47.681%0.81427%0.272SS*.THydrogen-bonded Turntrans74.1-12.3-170.800000116.1
243I96.9Very high93.3Very high13 Ų1349 Ų497%0.06728%0.28CS..  trans-90.3127.3-178-60.5174.3000110.6V196 A240 D241 V247 F248 A274 Y277 L278V196-I243 VanDerWaalsContact CG1-O 3.28Å; V196-I243 WeakPolarHBondContact CG1-O 3.22Å; A240-I243 HydrophobicContact CB-CB 4.25Å; A240-I243 HydrophobicContact CB-CD1 4.05Å; A240-I243 WeakPolarHBondContact O-CB 3.26Å; A240-I243 PolarHBondContact O-N 3.38Å; A240-I243 VanDerWaalsContact O-N 3.09Å; D241-I243 PolarHBondContact O-N 2.87Å; I243-V247 HydrophobicContact CG2-CB 3.98Å; I243-V247 HydrophobicContact CG2-CG1 3.72Å; I243-F248 HydrophobicContact CG2-CB 4.38Å; I243-A274 HydrophobicContact CB-CB 4.49Å; I243-A274 HydrophobicContact CD1-CB 3.79Å; I243-A274 HydrophobicContact CG1-CB 3.84Å; I243-A274 HydrophobicContact CG2-CB 3.88Å; I243-Y277 HydrophobicContact CD1-CD1 3.79Å; I243-Y277 HydrophobicContact CD1-CE1 4.42Å; I243-Y277 HydrophobicContact CD1-CG 4.08Å; I243-L278 HydrophobicContact CD1-CD1 3.89Å; I243-L278 HydrophobicContact CD1-CD2 4.45Å; I243-L278 HydrophobicContact CD1-CG 3.81Å
244S96.4Very high93.7Very high28 Ų2841.1 Ų41.120%0.19624%0.236CC..  trans-66.4144.6-179.972.10000112.5T246 V247 F248 E270S244-T246 PolarHBondContact O-N 2.91Å; S244-V247 PolarHBondContact O-N 2.94Å; S244-V247 VanDerWaalsContact OG-CG2 3.31Å; S244-V247 WeakPolarHBondContact OG-CG2 3.36Å; S244-V247 PolarHBondContact OG-N 3.01Å; S244-F248 PolarHBondContact O-N 3.41Å; S244-E270 PolarHBondContact OG-OE1 3.26Å
245S95.9Very high94Very high19 Ų1934 Ų3413%0.13321%0.205CC..Hα-helixtrans-58-23.2178.854.10000113.2D197 T199 F201 R249D197-S245 WeakPolarHBondContact OD2-CB 3.36Å; D197-S245 PolarHBondContact OD2-N 3.44Å; D197-S245 PolarHBondContact OD2-OG 3.25Å; T199-S245 WeakPolarHBondContact OG1-CB 3.47Å; F201-S245 WeakPolarHBondContact CZ-O 3.48Å; S245-R249 WeakPolarHBondContact O-CB 3.4Å; S245-R249 PolarHBondContact O-N 3.44Å; S245-R249 PolarHBondContact O-NH1 3.18Å
246T96Very high94.2Very high40 Ų4036 Ų3625%0.24520%0.202CC..Hα-helixtrans-81.3-37.5175-73.10000112.9S244 R249 P263 I266S244-T246 PolarHBondContact O-N 2.91Å; T246-R249 PolarHBondContact OG1-NH1 3.07Å; T246-R249 PolarHBondContact OG1-NH2 3.38Å; T246-P263 HydrophobicContact CG2-CB 3.74Å; T246-P263 HydrophobicContact CG2-CG 3.87Å; T246-I266 HydrophobicContact CG2-CD1 3.9Å; T246-I266 HydrophobicContact CG2-CG1 3.82Å
247V97.3Very high94.2Very high0 Ų038.6 Ų38.60%022%0.222CC..Hα-helixtrans-65.9-47168.8169.50000110.5I243 S244 R249 A250 I251 I266 E270 L271 A274I243-V247 HydrophobicContact CG2-CB 3.98Å; I243-V247 HydrophobicContact CG2-CG1 3.72Å; S244-V247 PolarHBondContact O-N 2.94Å; S244-V247 VanDerWaalsContact OG-CG2 3.31Å; S244-V247 WeakPolarHBondContact OG-CG2 3.36Å; S244-V247 PolarHBondContact OG-N 3.01Å; V247-R249 VanDerWaalsContact C-N 3.3Å; V247-R249 PolarHBondContact O-N 2.94Å; V247-A250 PolarHBondContact O-N 3.28Å; V247-I251 HydrophobicContact CG1-CD1 3.7Å; V247-I251 HydrophobicContact CG1-CG1 4.35Å; V247-I251 PolarHBondContact O-N 3.04Å; V247-I266 HydrophobicContact CG2-CD1 4.04Å; V247-I266 HydrophobicContact CG2-CG1 4.22Å; V247-I266 HydrophobicContact CG2-CG2 3.63Å; V247-E270 HydrophobicContact CG2-CG 4.17Å; V247-E270 WeakPolarHBondContact CG2-OE1 3.36Å; V247-L271 HydrophobicContact CG1-CD1 3.95Å; V247-A274 HydrophobicContact CG1-CB 3.5Å
248F97.4Very high94.4Very high0 Ų039 Ų390%023%0.231CC..Hα-helixtrans-59.2-39-179-165.6-102.1000112.9L194 V196 F201 L216 V239 A240 I243 S244 A250 I251 L252 L278L194-F248 HydrophobicContact CD1-CE1 4.23Å; L194-F248 HydrophobicContact CD1-CZ 3.88Å; V196-F248 HydrophobicContact CB-CB 4.42Å; V196-F248 HydrophobicContact CB-CD1 4.17Å; V196-F248 HydrophobicContact CB-CD2 4.46Å; V196-F248 HydrophobicContact CB-CG 4.1Å; V196-F248 HydrophobicContact CG1-CB 3.94Å; V196-F248 HydrophobicContact CG1-CD2 4.11Å; V196-F248 HydrophobicContact CG1-CG 3.93Å; V196-F248 HydrophobicContact CG2-CD1 3.73Å; V196-F248 HydrophobicContact CG2-CD2 3.89Å; V196-F248 HydrophobicContact CG2-CE1 3.7Å; V196-F248 HydrophobicContact CG2-CE2 3.87Å; V196-F248 HydrophobicContact CG2-CG 3.83Å; V196-F248 HydrophobicContact CG2-CZ 3.78Å; F201-F248 HydrophobicContact CB-CE1 4.27Å; F201-F248 AromaticContact CD1-CD1 3.95Å; F201-F248 HydrophobicContact CD1-CD1 3.95Å; F201-F248 HydrophobicContact CD1-CE1 4.32Å; F201-F248 AromaticContact CD2-CD1 3.83Å; F201-F248 HydrophobicContact CD2-CD1 3.83Å; F201-F248 HydrophobicContact CD2-CE1 4.09Å; F201-F248 AromaticContact CE1-CD1 3.99Å; F201-F248 HydrophobicContact CE1-CD1 3.99Å; F201-F248 AromaticContact CE2-CD1 3.86Å; F201-F248 HydrophobicContact CE2-CD1 3.86Å; F201-F248 AromaticContact CG-CD1 3.89Å; F201-F248 HydrophobicContact CG-CD1 3.89Å; F201-F248 AromaticContact CG-CE1 3.98Å; F201-F248 HydrophobicContact CG-CE1 3.98Å; F201-F248 HydrophobicContact CZ-CB 4.43Å; F201-F248 AromaticContact CZ-CD1 3.95Å; F201-F248 HydrophobicContact CZ-CD1 3.95Å; L216-F248 HydrophobicContact CD1-CE2 3.92Å; L216-F248 HydrophobicContact CD1-CZ 3.94Å; V239-F248 HydrophobicContact CG2-CZ 4.29Å; A240-F248 HydrophobicContact CB-CD2 3.84Å; A240-F248 HydrophobicContact CB-CE2 3.79Å; I243-F248 HydrophobicContact CG2-CB 4.38Å; S244-F248 PolarHBondContact O-N 3.41Å; F248-A250 PolarHBondContact O-N 3.34Å; F248-I251 PolarHBondContact O-N 3.33Å; F248-I251 VanDerWaalsContact O-N 3.13Å; F248-L252 HydrophobicContact CD1-CD1 4.05Å; F248-L252 HydrophobicContact CD1-CG 4.2Å; F248-L252 HydrophobicContact CE1-CD1 3.84Å; F248-L252 HydrophobicContact CE1-CD2 4.01Å; F248-L252 HydrophobicContact CE1-CG 3.94Å; F248-L252 HydrophobicContact CZ-CD2 4.24Å; F248-L252 PolarHBondContact O-N 2.71Å; F248-L278 HydrophobicContact CD2-CD1 4.34Å; F248-L278 HydrophobicContact CE2-CD1 4.3Å
249R95.6Very high94.5Very high73 Ų7335.3 Ų35.328%0.27522%0.215SC..Hα-helixtrans-54.5-46.6171167.6162.172.4-94.9-1.7112.8Y176 F201 S245 T246 V247 I251 L252Y176-R249 WeakPolarHBondContact OH-CG 3.4Å; F201-R249 HydrophobicContact CE1-CB 4.28Å; S245-R249 WeakPolarHBondContact O-CB 3.4Å; S245-R249 PolarHBondContact O-N 3.44Å; S245-R249 PolarHBondContact O-NH1 3.18Å; T246-R249 PolarHBondContact OG1-NH1 3.07Å; T246-R249 PolarHBondContact OG1-NH2 3.38Å; V247-R249 VanDerWaalsContact C-N 3.3Å; V247-R249 PolarHBondContact O-N 2.94Å; R249-I251 VanDerWaalsContact C-N 3.29Å; R249-I251 PolarHBondContact O-N 2.89Å; R249-L252 PolarHBondContact O-N 3.29Å
250A95.9Very high94.8Very high7 Ų734.5 Ų34.56%0.05821%0.21CC..Hα-helixtrans-70-27.7178.500000112.7V247 F248 D253 I260 R261 P263V247-A250 PolarHBondContact O-N 3.28Å; F248-A250 PolarHBondContact O-N 3.34Å; A250-D253 PolarHBondContact O-N 2.94Å; A250-I260 HydrophobicContact CB-CG2 4Å; A250-R261 WeakPolarHBondContact CB-O 3.48Å; A250-P263 HydrophobicContact CB-CG 3.83Å
251I96.7Very high95.1Very high0 Ų042.3 Ų42.30%024%0.239CC..Hα-helixtrans-73.8-31.5174.9-69.6177.2000111.6V247 F248 R249 D253 Y254 Y255 I260 A274 L278 I280V247-I251 HydrophobicContact CG1-CD1 3.7Å; V247-I251 HydrophobicContact CG1-CG1 4.35Å; V247-I251 PolarHBondContact O-N 3.04Å; F248-I251 PolarHBondContact O-N 3.33Å; F248-I251 VanDerWaalsContact O-N 3.13Å; R249-I251 VanDerWaalsContact C-N 3.29Å; R249-I251 PolarHBondContact O-N 2.89Å; I251-D253 VanDerWaalsContact C-N 3.25Å; I251-D253 PolarHBondContact O-N 3.31Å; I251-Y254 WeakPolarHBondContact O-CB 3.36Å; I251-Y254 PolarHBondContact O-N 3.11Å; I251-Y254 VanDerWaalsContact O-N 3.12Å; I251-Y255 HydrophobicContact CG2-CE2 3.88Å; I251-Y255 WeakPolarHBondContact O-CD2 3.32Å; I251-I260 HydrophobicContact CG1-CD1 3.96Å; I251-I260 HydrophobicContact CG1-CG1 4.5Å; I251-A274 HydrophobicContact CD1-CB 4.04Å; I251-L278 HydrophobicContact CD1-CD1 3.87Å; I251-L278 HydrophobicContact CG2-CD1 3.86Å; I251-I280 HydrophobicContact CG2-CD1 3.51Å
252L95.1Very high95.4Very high0 Ų036.7 Ų36.70%021%0.21CC..Hα-helixtrans-65.2-26.8172.2-69.5175.8000113.3Y176 F201 V203 I207 F208 F248 R249 Y254Y176-L252 HydrophobicContact CD1-CB 3.97Å; Y176-L252 HydrophobicContact CD1-CD1 4.18Å; Y176-L252 HydrophobicContact CD2-CD1 3.82Å; Y176-L252 HydrophobicContact CE1-CB 3.7Å; Y176-L252 HydrophobicContact CE1-CD1 3.9Å; Y176-L252 HydrophobicContact CE1-CG 4.48Å; Y176-L252 HydrophobicContact CE2-CD1 3.52Å; Y176-L252 HydrophobicContact CG-CD1 4.16Å; F201-L252 HydrophobicContact CB-CD1 4.14Å; F201-L252 HydrophobicContact CD1-CD1 3.51Å; F201-L252 HydrophobicContact CE1-CD1 4.29Å; F201-L252 HydrophobicContact CG-CD1 4.12Å; V203-L252 HydrophobicContact CG1-CD1 4.08Å; V203-L252 HydrophobicContact CG1-CD2 4.1Å; I207-L252 HydrophobicContact CD1-CD2 4.34Å; F208-L252 HydrophobicContact CE1-CD2 4.07Å; F208-L252 HydrophobicContact CZ-CD2 4.1Å; F248-L252 HydrophobicContact CD1-CD1 4.05Å; F248-L252 HydrophobicContact CD1-CG 4.2Å; F248-L252 HydrophobicContact CE1-CD1 3.84Å; F248-L252 HydrophobicContact CE1-CD2 4.01Å; F248-L252 HydrophobicContact CE1-CG 3.94Å; F248-L252 HydrophobicContact CZ-CD2 4.24Å; F248-L252 PolarHBondContact O-N 2.71Å; R249-L252 PolarHBondContact O-N 3.29Å; L252-Y254 VanDerWaalsContact C-N 3.35Å
253D93.1Very high95.5Very high75 Ų7534.3 Ų34.340%0.40118%0.18SC..Hα-helixtrans-72.9-24.9172.7-77.5-23.7000113A250 I251 K256 S257A250-D253 PolarHBondContact O-N 2.94Å; I251-D253 VanDerWaalsContact C-N 3.25Å; I251-D253 PolarHBondContact O-N 3.31Å; D253-K256 PolarHBondContact O-N 2.88Å; D253-S257 WeakPolarHBondContact O-CB 3.44Å; D253-S257 PolarHBondContact O-N 3.24Å; D253-S257 PolarHBondContact O-OG 2.88Å
254Y95.9Very high95.3Very high13 Ų1338.8 Ų38.85%0.05120%0.204CC..Hα-helixtrans-64.2-42.2173.3168.9-98.5000111.8Q211 T214 I251 L252 K256 S257 G258 I260 I280 T286Q211-Y254 HydrophobicContact CB-CE1 4.07Å; Q211-Y254 HydrophobicContact CG-CD1 4.21Å; Q211-Y254 HydrophobicContact CG-CE1 3.56Å; Q211-Y254 PolarHBondContact OE1-OH 3.37Å; Q211-Y254 VanDerWaalsContact OE1-OH 3.13Å; T214-Y254 HydrophobicContact CG2-CE1 4.2Å; I251-Y254 WeakPolarHBondContact O-CB 3.36Å; I251-Y254 PolarHBondContact O-N 3.11Å; I251-Y254 VanDerWaalsContact O-N 3.12Å; L252-Y254 VanDerWaalsContact C-N 3.35Å; Y254-K256 PolarHBondContact O-N 2.92Å; Y254-K256 VanDerWaalsContact O-N 3.16Å; Y254-S257 PolarHBondContact O-N 3.48Å; Y254-G258 WeakPolarHBondContact CD2-O 3.44Å; Y254-G258 WeakPolarHBondContact O-CA 3.36Å; Y254-G258 PolarHBondContact O-N 3.15Å; Y254-I260 HydrophobicContact CD2-CG1 4.21Å; Y254-I260 HydrophobicContact CG-CG1 4.14Å; Y254-I280 HydrophobicContact CD1-CD1 4.22Å; Y254-I280 HydrophobicContact CD1-CG1 4.46Å; Y254-I280 HydrophobicContact CD1-CG2 4.2Å; Y254-I280 HydrophobicContact CD2-CG2 4.42Å; Y254-I280 HydrophobicContact CE1-CD1 4.48Å; Y254-I280 HydrophobicContact CE1-CG1 4.23Å; Y254-I280 HydrophobicContact CE1-CG2 3.84Å; Y254-I280 HydrophobicContact CE2-CG2 4.09Å; Y254-I280 HydrophobicContact CG-CG2 4.48Å; Y254-T286 HydrophobicContact CD2-CG2 3.68Å; Y254-T286 HydrophobicContact CE2-CG2 3.49Å; Y254-T286 VanDerWaalsContact CE2-CG2 3.49Å
255Y94.1Very high95.1Very high7 Ų741.6 Ų41.63%0.02724%0.238CC..Hα-helixtrans-63.3-21.1175.1-66.5-79.7000113.4F208 Q211 T214 L216 I251F208-Y255 AromaticContact CD1-CD1 3.64Å; F208-Y255 HydrophobicContact CD1-CD1 3.64Å; F208-Y255 HydrophobicContact CD1-CD2 4.06Å; F208-Y255 AromaticContact CD1-CE1 3.73Å; F208-Y255 HydrophobicContact CD1-CE1 3.73Å; F208-Y255 HydrophobicContact CD1-CE2 4.18Å; F208-Y255 AromaticContact CD1-CG 3.81Å; F208-Y255 HydrophobicContact CD1-CG 3.81Å; F208-Y255 HydrophobicContact CE1-CD1 4.37Å; F208-Y255 AromaticContact CE1-CD2 3.98Å; F208-Y255 HydrophobicContact CE1-CD2 3.98Å; F208-Y255 HydrophobicContact CE1-CE1 4.48Å; F208-Y255 HydrophobicContact CE1-CE2 4.12Å; F208-Y255 HydrophobicContact CE1-CG 4.13Å; Q211-Y255 HydrophobicContact CB-CD1 3.78Å; Q211-Y255 HydrophobicContact CB-CE1 3.75Å; Q211-Y255 HydrophobicContact CG-CD1 4.15Å; Q211-Y255 HydrophobicContact CG-CE1 4.48Å; T214-Y255 WeakPolarHBondContact CB-OH 3.34Å; T214-Y255 HydrophobicContact CG2-CE1 4.24Å; T214-Y255 WeakPolarHBondContact OG1-CE1 3.48Å; T214-Y255 PolarHBondContact OG1-OH 2.74Å; T214-Y255 VanDerWaalsContact OG1-OH 3.11Å; L216-Y255 HydrophobicContact CB-CE1 4.47Å; L216-Y255 HydrophobicContact CD1-CE2 3.96Å; I251-Y255 HydrophobicContact CG2-CE2 3.88Å; I251-Y255 WeakPolarHBondContact O-CD2 3.32Å
256K90.3Very high95.1Very high85 Ų8542.1 Ų42.137%0.3724%0.239SC..Hα-helixtrans-93.9-23.2176.2-62.3-172.7-176.9-172.50114.5E177 D253 Y254E177-K256 PolarHBondContact O-NZ 3.21Å; D253-K256 PolarHBondContact O-N 2.88Å; Y254-K256 PolarHBondContact O-N 2.92Å; Y254-K256 VanDerWaalsContact O-N 3.16Å
257S92.3Very high95.2Very high71 Ų7142.9 Ų42.950%0.49725%0.246SC..Hα-helixtrans-136.9-10.4-165.571.20000116.2D253 Y254 I259D253-S257 WeakPolarHBondContact O-CB 3.44Å; D253-S257 PolarHBondContact O-N 3.24Å; D253-S257 PolarHBondContact O-OG 2.88Å; Y254-S257 PolarHBondContact O-N 3.48Å; S257-I259 PolarHBondContact O-N 2.88Å; S257-I259 PolarHBondContact OG-N 2.91Å; S257-I259 PolarHBondContact OG-O 2.88Å
258G94.3Very high95.2Very high27 Ų2743.3 Ų43.328%0.27825%0.248SC..SBendtrans71.67.8-170.100000114.4Y254Y254-G258 WeakPolarHBondContact CD2-O 3.44Å; Y254-G258 WeakPolarHBondContact O-CA 3.36Å; Y254-G258 PolarHBondContact O-N 3.15Å
259I95.9Very high95.1Very high47 Ų4746 Ų4624%0.24127%0.265CS..  trans-133.1128.3-173.8-60.9178.1000111S257 R261 T286 K288S257-I259 PolarHBondContact O-N 2.88Å; S257-I259 PolarHBondContact OG-N 2.91Å; S257-I259 PolarHBondContact OG-O 2.88Å; I259-R261 HydrophobicContact CG2-CG 4.32Å; I259-T286 CarbonylContact C-O 3.54Å; I259-T286 WeakPolarHBondContact CA-O 3.31Å; I259-K288 HydrophobicContact CG2-CB 4.46Å; I259-K288 HydrophobicContact CG2-CG 3.55Å
260I97.3Very high95.2Very high0 Ų045.5 Ų45.50%027%0.266CS..EExtended strand (participates in β ladder)trans-90.5129.2163.5-55.1171.3000108.7A250 I251 Y254 L271 C275 I280 T286 I287 K288A250-I260 HydrophobicContact CB-CG2 4Å; I251-I260 HydrophobicContact CG1-CD1 3.96Å; I251-I260 HydrophobicContact CG1-CG1 4.5Å; Y254-I260 HydrophobicContact CD2-CG1 4.21Å; Y254-I260 HydrophobicContact CG-CG1 4.14Å; I260-L271 HydrophobicContact CD1-CD1 4.45Å; I260-L271 HydrophobicContact CG2-CD1 3.97Å; I260-L271 HydrophobicContact CG2-CD2 4.05Å; I260-C275 VanDerWaalsContact CD1-SG 3.54Å; I260-I280 HydrophobicContact CD1-CG2 4.12Å; I260-T286 HydrophobicContact CD1-CG2 4.34Å; I260-T286 HydrophobicContact CG1-CG2 4.35Å; I260-T286 PolarHBondContact N-O 2.97Å; I260-I287 HydrophobicContact CB-CD1 4.19Å; I260-I287 HydrophobicContact CD1-CD1 3.93Å; I260-I287 HydrophobicContact CG1-CD1 4.48Å; I260-K288 PolarHBondContact O-N 3.34Å
261R96.8Very high95.3Very high167 Ų16745.1 Ų45.163%0.6326%0.263SS*.EExtended strand (participates in β ladder)trans-102.4110.5167.7-63.6178-175.8-85.4-3.3108.1A250 I259 P263 K288A250-R261 WeakPolarHBondContact CB-O 3.48Å; I259-R261 HydrophobicContact CG2-CG 4.32Å; R261-P263 WeakPolarHBondContact O-CD 3.38Å; R261-K288 CarbonylContact C-O 3.59Å; R261-K288 WeakPolarHBondContact CA-O 3.46Å
262C96.8Very high95.3Very high19 Ų1946.9 Ų46.913%0.12827%0.27CS..PPolyproline II helixtrans-57.2123.7179.3-172.40000109.9I268 L271 K288 C289C262-I268 HydrophobicContact CB-CD1 4.16Å; C262-L271 HydrophobicContact CB-CD2 3.78Å; C262-K288 PolarHBondContact N-O 3.07Å; C262-C289 HydrophobicContact CB-CB 4.03Å
263P95.7Very high95.4Very high29 Ų2953.4 Ų53.419%0.18830%0.301CS..PPolyproline II helixtrans-66.9157.6178.9-20.132.6000112.8T246 A250 R261 G265 I266T246-P263 HydrophobicContact CG2-CB 3.74Å; T246-P263 HydrophobicContact CG2-CG 3.87Å; A250-P263 HydrophobicContact CB-CG 3.83Å; R261-P263 WeakPolarHBondContact O-CD 3.38Å; P263-G265 PolarHBondContact O-N 3.3Å; P263-I266 HydrophobicContact CB-CB 4.42Å; P263-I266 HydrophobicContact CB-CG1 3.79Å; P263-I266 HydrophobicContact CG-CG1 3.99Å; P263-I266 PolarHBondContact O-N 3.05Å
264D92.8Very high95.7Very high107 Ų10750 Ų5057%0.57228%0.283SS*.THydrogen-bonded Turntrans-67.4130172.9-72.3-14.3000110.6R290D264-R290 VanDerWaalsContact CG-NH2 3.26Å; D264-R290 IonicContact OD1-CZ 2.7Å; D264-R290 IonicContact OD1-NE 3.19Å; D264-R290 PolarHBondContact OD1-NE 3.29Å; D264-R290 IonicContact OD1-NH1 3.1Å; D264-R290 PolarHBondContact OD1-NH1 3.09Å; D264-R290 IonicContact OD1-NH2 3.43Å; D264-R290 PolarHBondContact OD1-NH2 3.45Å; D264-R290 IonicContact OD2-CZ 2.76Å; D264-R290 IonicContact OD2-NH1 3Å; D264-R290 PolarHBondContact OD2-NH1 2.91Å; D264-R290 IonicContact OD2-NH2 2.86Å; D264-R290 PolarHBondContact OD2-NH2 3.22Å
265G92.5Very high95.7Very high87 Ų8749.4 Ų49.490%0.89728%0.281SS*.THydrogen-bonded Turntrans91-10.9-178.400000115.1P263P263-G265 PolarHBondContact O-N 3.3Å
266I96.3Very high95.9Very high31 Ų3153.1 Ų53.116%0.15930%0.301CS..  trans-84.9141.7173.8-63.5-56.7000110T246 V247 P263 L271T246-I266 HydrophobicContact CG2-CD1 3.9Å; T246-I266 HydrophobicContact CG2-CG1 3.82Å; V247-I266 HydrophobicContact CG2-CD1 4.04Å; V247-I266 HydrophobicContact CG2-CG1 4.22Å; V247-I266 HydrophobicContact CG2-CG2 3.63Å; P263-I266 HydrophobicContact CB-CB 4.42Å; P263-I266 HydrophobicContact CB-CG1 3.79Å; P263-I266 HydrophobicContact CG-CG1 3.99Å; P263-I266 PolarHBondContact O-N 3.05Å; I266-L271 HydrophobicContact CG2-CB 4.42Å
267S96.8Very high96.2Very high56 Ų5653.8 Ų53.839%0.39230%0.302SS..  trans-85.9150.5176.379.70000111.7E270 L271S267-E270 PolarHBondContact O-N 2.99Å; S267-E270 WeakPolarHBondContact OG-CB 3.48Å; S267-E270 PolarHBondContact OG-N 3.1Å; S267-E270 VanDerWaalsContact OG-N 3.1Å; S267-L271 PolarHBondContact O-N 3.39Å; S267-L271 VanDerWaalsContact O-N 3.11Å
268I97.3Very high96.3Very high9 Ų950.4 Ų50.45%0.04628%0.278CS..Hα-helixtrans-65.6-37.7176.3-52.6-56.9000112.3C262 L271 R272 F282 C289 A294 E298C262-I268 HydrophobicContact CB-CD1 4.16Å; I268-L271 PolarHBondContact O-N 3.12Å; I268-R272 WeakPolarHBondContact O-CB 3.09Å; I268-R272 PolarHBondContact O-N 3.49Å; I268-F282 HydrophobicContact CG2-CE2 4.41Å; I268-F282 HydrophobicContact CG2-CZ 3.66Å; I268-C289 HydrophobicContact CD1-CB 3.59Å; I268-A294 HydrophobicContact CB-CB 3.85Å; I268-A294 HydrophobicContact CG1-CB 3.52Å; I268-E298 HydrophobicContact CG2-CG 3.95Å
269P96.7Very high96.4Very high56 Ų5652.5 Ų52.536%0.36429%0.288SS..Hα-helixtrans-60-43.9170.6-27.436.9000114.2L271 R272 E273P269-L271 VanDerWaalsContact C-N 3.31Å; P269-L271 PolarHBondContact O-N 3.1Å; P269-R272 WeakPolarHBondContact O-CA 3.46Å; P269-R272 WeakPolarHBondContact O-CB 3.32Å; P269-R272 PolarHBondContact O-N 3.03Å; P269-E273 WeakPolarHBondContact O-CG 3.28Å; P269-E273 PolarHBondContact O-N 2.62Å
270E97.1Very high96.5Very high62 Ų6250.6 Ų50.629%0.2928%0.278SS..Hα-helixtrans-58.5-43.5174.8-179.8-165.4168.200111.2S244 V247 S267 R272 A274S244-E270 PolarHBondContact OG-OE1 3.26Å; V247-E270 HydrophobicContact CG2-CG 4.17Å; V247-E270 WeakPolarHBondContact CG2-OE1 3.36Å; S267-E270 PolarHBondContact O-N 2.99Å; S267-E270 WeakPolarHBondContact OG-CB 3.48Å; S267-E270 PolarHBondContact OG-N 3.1Å; S267-E270 VanDerWaalsContact OG-N 3.1Å; E270-R272 VanDerWaalsContact C-N 3.33Å; E270-R272 PolarHBondContact O-N 3.04Å; E270-A274 WeakPolarHBondContact O-CB 3.16Å; E270-A274 PolarHBondContact O-N 3.47Å; E270-A274 VanDerWaalsContact O-N 3.14Å
271L97.6Very high96.3Very high0 Ų053.5 Ų53.50%030%0.298CS..Hα-helixtrans-67.4-33.7175.5178.959.1000112.2V247 I260 C262 I266 S267 I268 P269 C275 I287V247-L271 HydrophobicContact CG1-CD1 3.95Å; I260-L271 HydrophobicContact CD1-CD1 4.45Å; I260-L271 HydrophobicContact CG2-CD1 3.97Å; I260-L271 HydrophobicContact CG2-CD2 4.05Å; C262-L271 HydrophobicContact CB-CD2 3.78Å; I266-L271 HydrophobicContact CG2-CB 4.42Å; S267-L271 PolarHBondContact O-N 3.39Å; S267-L271 VanDerWaalsContact O-N 3.11Å; I268-L271 PolarHBondContact O-N 3.12Å; P269-L271 VanDerWaalsContact C-N 3.31Å; P269-L271 PolarHBondContact O-N 3.1Å; L271-C275 PolarHBondContact O-N 3.02Å; L271-C275 PolarHBondContact O-SG 3.37Å; L271-I287 HydrophobicContact CD2-CD1 4.38Å; L271-I287 HydrophobicContact CD2-CG2 4.32Å
272R97.5Very high96.3Very high36 Ų3646.4 Ų46.414%0.13627%0.272CS..Hα-helixtrans-64.5-51.9175.917156.9-176-99.49111.1I268 P269 E270 A274 C275 D276 F282 D302I268-R272 WeakPolarHBondContact O-CB 3.09Å; I268-R272 PolarHBondContact O-N 3.49Å; P269-R272 WeakPolarHBondContact O-CA 3.46Å; P269-R272 WeakPolarHBondContact O-CB 3.32Å; P269-R272 PolarHBondContact O-N 3.03Å; E270-R272 VanDerWaalsContact C-N 3.33Å; E270-R272 PolarHBondContact O-N 3.04Å; R272-A274 VanDerWaalsContact C-N 3.27Å; R272-A274 PolarHBondContact O-N 3.23Å; R272-C275 WeakPolarHBondContact O-CB 3.29Å; R272-C275 PolarHBondContact O-N 2.92Å; R272-D276 IonicContact CZ-OD1 3.24Å; R272-D276 IonicContact CZ-OD2 2.7Å; R272-D276 VanDerWaalsContact NE-CG 3.27Å; R272-D276 IonicContact NE-OD1 2.99Å; R272-D276 PolarHBondContact NE-OD1 3.5Å; R272-D276 VanDerWaalsContact NE-OD1 3.09Å; R272-D276 IonicContact NE-OD2 3.71Å; R272-D276 PolarHBondContact NE-OD2 2.72Å; R272-D276 IonicContact NH2-OD1 3.41Å; R272-D276 IonicContact NH2-OD2 3.23Å; R272-D276 PolarHBondContact O-N 2.89Å; R272-F282 HydrophobicContact CB-CD2 4.06Å; R272-F282 HydrophobicContact CB-CE2 3.81Å; R272-F282 HydrophobicContact CB-CZ 4.17Å; R272-F282 VanDerWaalsContact CD-CG 3.4Å; R272-F282 HydrophobicContact CG-CD2 4.46Å; R272-D302 IonicContact CZ-OD1 2.68Å; R272-D302 IonicContact CZ-OD2 2.68Å; R272-D302 IonicContact NH1-OD1 2.74Å; R272-D302 PolarHBondContact NH1-OD1 3.14Å; R272-D302 IonicContact NH1-OD2 3.43Å; R272-D302 PolarHBondContact NH1-OD2 3.35Å; R272-D302 IonicContact NH2-OD1 3.26Å; R272-D302 PolarHBondContact NH2-OD1 3.09Å; R272-D302 IonicContact NH2-OD2 2.72Å; R272-D302 PolarHBondContact NH2-OD2 3.25Å
273E97.3Very high96.2Very high138 Ų13847.3 Ų47.365%0.64528%0.276SS*.Hα-helixtrans-55.8-42.5176.9-70.3174.6179.900111.4P269 C275 D276 Y277P269-E273 WeakPolarHBondContact O-CG 3.28Å; P269-E273 PolarHBondContact O-N 2.62Å; E273-C275 PolarHBondContact O-N 3.25Å; E273-D276 PolarHBondContact O-N 3.5Å; E273-Y277 WeakPolarHBondContact O-CB 3.46Å; E273-Y277 PolarHBondContact O-N 3.31Å
274A97.8Very high96.1Very high4 Ų454.5 Ų54.53%0.03330%0.3CS..Hα-helixtrans-66.5-33.6175.700000114.2I243 V247 I251 E270 R272 L278I243-A274 HydrophobicContact CB-CB 4.49Å; I243-A274 HydrophobicContact CD1-CB 3.79Å; I243-A274 HydrophobicContact CG1-CB 3.84Å; I243-A274 HydrophobicContact CG2-CB 3.88Å; V247-A274 HydrophobicContact CG1-CB 3.5Å; I251-A274 HydrophobicContact CD1-CB 4.04Å; E270-A274 WeakPolarHBondContact O-CB 3.16Å; E270-A274 PolarHBondContact O-N 3.47Å; E270-A274 VanDerWaalsContact O-N 3.14Å; R272-A274 VanDerWaalsContact C-N 3.27Å; R272-A274 PolarHBondContact O-N 3.23Å; A274-L278 WeakPolarHBondContact O-CB 3.31Å; A274-L278 PolarHBondContact O-N 2.85Å; A274-L278 VanDerWaalsContact O-N 3.14Å
275C97.4Very high96.2Very high0 Ų052.3 Ų52.30%029%0.294CS..Hα-helixtrans-71.2-44.7174.5-68.80000111.6I260 L271 R272 E273 L278 C279 I280 F282I260-C275 VanDerWaalsContact CD1-SG 3.54Å; L271-C275 PolarHBondContact O-N 3.02Å; L271-C275 PolarHBondContact O-SG 3.37Å; R272-C275 WeakPolarHBondContact O-CB 3.29Å; R272-C275 PolarHBondContact O-N 2.92Å; E273-C275 PolarHBondContact O-N 3.25Å; C275-L278 CarbonylContact O-C 3.57Å; C275-L278 PolarHBondContact O-N 3.05Å; C275-C279 PolarHBondContact O-N 3.49Å; C275-I280 HydrophobicContact CB-CB 4.25Å; C275-I280 PolarHBondContact O-N 3.11Å; C275-F282 HydrophobicContact CB-CB 4.44Å; C275-F282 HydrophobicContact CB-CD2 4.11Å
276D96.7Very high96.3Very high85 Ų8548.5 Ų48.546%0.45525%0.253SS..Hα-helixtrans-62.5-45.1178.3-73.7-14.1000110.6R272 E273 C279R272-D276 IonicContact CZ-OD1 3.24Å; R272-D276 IonicContact CZ-OD2 2.7Å; R272-D276 VanDerWaalsContact NE-CG 3.27Å; R272-D276 IonicContact NE-OD1 2.99Å; R272-D276 PolarHBondContact NE-OD1 3.5Å; R272-D276 VanDerWaalsContact NE-OD1 3.09Å; R272-D276 IonicContact NE-OD2 3.71Å; R272-D276 PolarHBondContact NE-OD2 2.72Å; R272-D276 IonicContact NH2-OD1 3.41Å; R272-D276 IonicContact NH2-OD2 3.23Å; R272-D276 PolarHBondContact O-N 2.89Å; E273-D276 PolarHBondContact O-N 3.5Å; D276-C279 PolarHBondContact O-N 3.32Å
277Y96.8Very high96.4Very high98 Ų9847 Ų4738%0.38425%0.245SC..Hα-helixtrans-57.1-51.7173.5-178.8-74.4000111.8M215 D241 I243 E273 C279M215-Y277 HydrophobicContact CE-CD1 3.88Å; M215-Y277 HydrophobicContact CE-CE1 3.66Å; M215-Y277 WeakPolarHBondContact CE-O 3.37Å; M215-Y277 HydrophobicContact SD-CD1 4.13Å; M215-Y277 HydrophobicContact SD-CE1 3.65Å; D241-Y277 PolarHBondContact N-OH 3.18Å; I243-Y277 HydrophobicContact CD1-CD1 3.79Å; I243-Y277 HydrophobicContact CD1-CE1 4.42Å; I243-Y277 HydrophobicContact CD1-CG 4.08Å; E273-Y277 WeakPolarHBondContact O-CB 3.46Å; E273-Y277 PolarHBondContact O-N 3.31Å; Y277-C279 PolarHBondContact O-N 3.38Å
278L96.1Very high96.3Very high0 Ų048 Ų480%024%0.243CC..THydrogen-bonded Turntrans-79.44.8-177.3-67.2176.1000114M215 L216 A240 I243 F248 I251 A274 C275 I280M215-L278 HydrophobicContact CB-CD2 4.29Å; M215-L278 WeakPolarHBondContact CB-O 3.3Å; M215-L278 PolarHBondContact N-O 3.28Å; M215-L278 HydrophobicContact SD-CD2 3.86Å; L216-L278 HydrophobicContact CD2-CD2 4.47Å; L216-L278 HydrophobicContact CG-CD2 4.27Å; A240-L278 HydrophobicContact CB-CD2 4.24Å; I243-L278 HydrophobicContact CD1-CD1 3.89Å; I243-L278 HydrophobicContact CD1-CD2 4.45Å; I243-L278 HydrophobicContact CD1-CG 3.81Å; F248-L278 HydrophobicContact CD2-CD1 4.34Å; F248-L278 HydrophobicContact CE2-CD1 4.3Å; I251-L278 HydrophobicContact CD1-CD1 3.87Å; I251-L278 HydrophobicContact CG2-CD1 3.86Å; A274-L278 WeakPolarHBondContact O-CB 3.31Å; A274-L278 PolarHBondContact O-N 2.85Å; A274-L278 VanDerWaalsContact O-N 3.14Å; C275-L278 CarbonylContact O-C 3.57Å; C275-L278 PolarHBondContact O-N 3.05Å; L278-I280 VanDerWaalsContact C-N 3.35Å; L278-I280 HydrophobicContact CB-CD1 3.98Å; L278-I280 HydrophobicContact CB-CG1 4.17Å; L278-I280 PolarHBondContact O-N 2.88Å
279C96Very high96.2Very high71 Ų7149.4 Ų49.448%0.4825%0.252SS..THydrogen-bonded Turntrans56.443.8-178.1-59.10000113C275 D276 Y277C275-C279 PolarHBondContact O-N 3.49Å; D276-C279 PolarHBondContact O-N 3.32Å; Y277-C279 PolarHBondContact O-N 3.38Å
280I96.8Very high96.1Very high7 Ų756.3 Ų56.34%0.03627%0.271CS..  trans-101.4139.8175.5-61.4171.2000108.7T214 I251 Y254 I260 C275 L278 F282 T286T214-I280 HydrophobicContact CG2-CG1 3.8Å; I251-I280 HydrophobicContact CG2-CD1 3.51Å; Y254-I280 HydrophobicContact CD1-CD1 4.22Å; Y254-I280 HydrophobicContact CD1-CG1 4.46Å; Y254-I280 HydrophobicContact CD1-CG2 4.2Å; Y254-I280 HydrophobicContact CD2-CG2 4.42Å; Y254-I280 HydrophobicContact CE1-CD1 4.48Å; Y254-I280 HydrophobicContact CE1-CG1 4.23Å; Y254-I280 HydrophobicContact CE1-CG2 3.84Å; Y254-I280 HydrophobicContact CE2-CG2 4.09Å; Y254-I280 HydrophobicContact CG-CG2 4.48Å; I260-I280 HydrophobicContact CD1-CG2 4.12Å; C275-I280 HydrophobicContact CB-CB 4.25Å; C275-I280 PolarHBondContact O-N 3.11Å; L278-I280 VanDerWaalsContact C-N 3.35Å; L278-I280 HydrophobicContact CB-CD1 3.98Å; L278-I280 HydrophobicContact CB-CG1 4.17Å; L278-I280 PolarHBondContact O-N 2.88Å; I280-F282 PolarHBondContact O-N 3.35Å; I280-T286 HydrophobicContact CG2-CG2 4.09Å
281S94.8Very high96Very high62 Ų6257.4 Ų57.443%0.43428%0.279SS..  trans-71118.4-179.364.90000111.7D283 T286S281-D283 VanDerWaalsContact CB-OD2 3.29Å; S281-D283 WeakPolarHBondContact CB-OD2 3.45Å; S281-D283 PolarHBondContact O-N 3Å; S281-D283 PolarHBondContact OG-OD2 3.05Å; S281-T286 VanDerWaalsContact O-CB 3.31Å; S281-T286 WeakPolarHBondContact O-CB 3.5Å; S281-T286 VanDerWaalsContact O-CG2 3.3Å; S281-T286 WeakPolarHBondContact O-CG2 3.31Å; S281-T286 PolarHBondContact O-OG1 2.72Å; S281-T286 PolarHBondContact OG-OG1 2.64Å
282F96.6Very high95.9Very high18 Ų1862.9 Ų62.98%0.07931%0.308CS..  trans-85.290.9175-166-86.6000110.1I268 R272 C275 I280 I287 L295 E298 L299I268-F282 HydrophobicContact CG2-CE2 4.41Å; I268-F282 HydrophobicContact CG2-CZ 3.66Å; R272-F282 HydrophobicContact CB-CD2 4.06Å; R272-F282 HydrophobicContact CB-CE2 3.81Å; R272-F282 HydrophobicContact CB-CZ 4.17Å; R272-F282 VanDerWaalsContact CD-CG 3.4Å; R272-F282 HydrophobicContact CG-CD2 4.46Å; C275-F282 HydrophobicContact CB-CB 4.44Å; C275-F282 HydrophobicContact CB-CD2 4.11Å; I280-F282 PolarHBondContact O-N 3.35Å; F282-I287 HydrophobicContact CD2-CD1 3.78Å; F282-I287 HydrophobicContact CD2-CG1 3.79Å; F282-I287 HydrophobicContact CE2-CD1 3.91Å; F282-I287 HydrophobicContact CE2-CG1 3.83Å; F282-I287 HydrophobicContact CE2-CG2 4.46Å; F282-I287 HydrophobicContact CG-CG1 4.19Å; F282-I287 HydrophobicContact CZ-CG1 4.23Å; F282-I287 HydrophobicContact CZ-CG2 4.49Å; F282-L295 HydrophobicContact CE1-CD1 3.69Å; F282-L295 HydrophobicContact CZ-CD1 3.82Å; F282-E298 HydrophobicContact CD1-CB 4.46Å; F282-E298 HydrophobicContact CE1-CB 3.64Å; F282-E298 HydrophobicContact CE1-CG 4.2Å; F282-E298 HydrophobicContact CZ-CB 4.21Å; F282-E298 HydrophobicContact CZ-CG 4.27Å; F282-L299 HydrophobicContact CD1-CD2 4.26Å; F282-L299 HydrophobicContact CE1-CD2 4.44Å
283D94.5Very high95.8Very high38 Ų3865.7 Ų65.720%0.20333%0.333CS..SBendtrans-144.4166.5-175.769.775.3000112.6S281 S285 T286 I287S281-D283 VanDerWaalsContact CB-OD2 3.29Å; S281-D283 WeakPolarHBondContact CB-OD2 3.45Å; S281-D283 PolarHBondContact O-N 3Å; S281-D283 PolarHBondContact OG-OD2 3.05Å; D283-S285 PolarHBondContact O-N 2.82Å; D283-S285 VanDerWaalsContact OD1-CA 3.27Å; D283-S285 WeakPolarHBondContact OD1-CA 3.49Å; D283-S285 WeakPolarHBondContact OD1-CB 3.31Å; D283-S285 PolarHBondContact OD1-N 3.29Å; D283-S285 PolarHBondContact OD1-OG 2.93Å; D283-T286 PolarHBondContact O-N 2.79Å; D283-T286 PolarHBondContact OD1-N 2.86Å; D283-T286 PolarHBondContact OD2-OG1 2.78Å; D283-I287 WeakPolarHBondContact O-CB 3.36Å; D283-I287 WeakPolarHBondContact O-CG1 3.13Å; D283-I287 PolarHBondContact O-N 3.31Å
284Y92.7Very high95.8Very high179 Ų17960.2 Ų60.270%0.70231%0.312SS*.THydrogen-bonded Turntrans-65.6-17.2-176.984.3-81.6000114.3K288Y284-K288 PolarHBondContact O-NZ 2.84Å
285S94.5Very high95.7Very high62 Ų6260.5 Ų60.543%0.43431%0.313SS..THydrogen-bonded Turntrans-83.1-46.7177.379.80000110.2D283 K288D283-S285 PolarHBondContact O-N 2.82Å; D283-S285 VanDerWaalsContact OD1-CA 3.27Å; D283-S285 WeakPolarHBondContact OD1-CA 3.49Å; D283-S285 WeakPolarHBondContact OD1-CB 3.31Å; D283-S285 PolarHBondContact OD1-N 3.29Å; D283-S285 PolarHBondContact OD1-OG 2.93Å; S285-K288 WeakPolarHBondContact O-CE 3.47Å; S285-K288 PolarHBondContact O-NZ 2.9Å
286T95.7Very high95.7Very high6 Ų665 Ų654%0.03733%0.334CS..THydrogen-bonded Turntrans-69.5-47.1177-60.90000113Y254 I259 I260 I280 S281 D283Y254-T286 HydrophobicContact CD2-CG2 3.68Å; Y254-T286 HydrophobicContact CE2-CG2 3.49Å; Y254-T286 VanDerWaalsContact CE2-CG2 3.49Å; I259-T286 CarbonylContact C-O 3.54Å; I259-T286 WeakPolarHBondContact CA-O 3.31Å; I260-T286 HydrophobicContact CD1-CG2 4.34Å; I260-T286 HydrophobicContact CG1-CG2 4.35Å; I260-T286 PolarHBondContact N-O 2.97Å; I280-T286 HydrophobicContact CG2-CG2 4.09Å; S281-T286 VanDerWaalsContact O-CB 3.31Å; S281-T286 WeakPolarHBondContact O-CB 3.5Å; S281-T286 VanDerWaalsContact O-CG2 3.3Å; S281-T286 WeakPolarHBondContact O-CG2 3.31Å; S281-T286 PolarHBondContact O-OG1 2.72Å; S281-T286 PolarHBondContact OG-OG1 2.64Å; D283-T286 PolarHBondContact O-N 2.79Å; D283-T286 PolarHBondContact OD1-N 2.86Å; D283-T286 PolarHBondContact OD2-OG1 2.78Å
287I97Very high95.7Very high1 Ų164.4 Ų64.41%0.00533%0.329CS..EExtended strand (participates in β ladder)trans-93131.9-172.2-51.7-62.9000111.2I260 L271 F282 D283 L295I260-I287 HydrophobicContact CB-CD1 4.19Å; I260-I287 HydrophobicContact CD1-CD1 3.93Å; I260-I287 HydrophobicContact CG1-CD1 4.48Å; L271-I287 HydrophobicContact CD2-CD1 4.38Å; L271-I287 HydrophobicContact CD2-CG2 4.32Å; F282-I287 HydrophobicContact CD2-CD1 3.78Å; F282-I287 HydrophobicContact CD2-CG1 3.79Å; F282-I287 HydrophobicContact CE2-CD1 3.91Å; F282-I287 HydrophobicContact CE2-CG1 3.83Å; F282-I287 HydrophobicContact CE2-CG2 4.46Å; F282-I287 HydrophobicContact CG-CG1 4.19Å; F282-I287 HydrophobicContact CZ-CG1 4.23Å; F282-I287 HydrophobicContact CZ-CG2 4.49Å; D283-I287 WeakPolarHBondContact O-CB 3.36Å; D283-I287 WeakPolarHBondContact O-CG1 3.13Å; D283-I287 PolarHBondContact O-N 3.31Å; I287-L295 HydrophobicContact CB-CD1 4.24Å; I287-L295 HydrophobicContact CG2-CD1 3.98Å
288K95.7Very high95.8Very high77 Ų7761 Ų6134%0.33532%0.316SS..EExtended strand (participates in β ladder)trans-126.9126166.2-49.7-63.3161.9-159.50110I259 I260 R261 C262 Y284 S285I259-K288 HydrophobicContact CG2-CB 4.46Å; I259-K288 HydrophobicContact CG2-CG 3.55Å; I260-K288 PolarHBondContact O-N 3.34Å; R261-K288 CarbonylContact C-O 3.59Å; R261-K288 WeakPolarHBondContact CA-O 3.46Å; C262-K288 PolarHBondContact N-O 3.07Å; Y284-K288 PolarHBondContact O-NZ 2.84Å; S285-K288 WeakPolarHBondContact O-CE 3.47Å; S285-K288 PolarHBondContact O-NZ 2.9Å
289C95.3Very high95.8Very high37 Ų3762.9 Ų62.925%0.2533%0.326CS..  trans-131173.5-179.860.50000111.3C262 I268 D291C262-C289 HydrophobicContact CB-CB 4.03Å; I268-C289 HydrophobicContact CD1-CB 3.59Å; C289-D291 VanDerWaalsContact SG-C 3.56Å; C289-D291 PolarHBondContact SG-O 2.8Å
290R94.8Very high95.9Very high201 Ų20162.3 Ų62.376%0.75832%0.323SS*.SBendtrans-89.7-38.3163.9-63.6-173.7-172.1152.817.7112D264 L292D264-R290 VanDerWaalsContact CG-NH2 3.26Å; D264-R290 IonicContact OD1-CZ 2.7Å; D264-R290 IonicContact OD1-NE 3.19Å; D264-R290 PolarHBondContact OD1-NE 3.29Å; D264-R290 IonicContact OD1-NH1 3.1Å; D264-R290 PolarHBondContact OD1-NH1 3.09Å; D264-R290 IonicContact OD1-NH2 3.43Å; D264-R290 PolarHBondContact OD1-NH2 3.45Å; D264-R290 IonicContact OD2-CZ 2.76Å; D264-R290 IonicContact OD2-NH1 3Å; D264-R290 PolarHBondContact OD2-NH1 2.91Å; D264-R290 IonicContact OD2-NH2 2.86Å; D264-R290 PolarHBondContact OD2-NH2 3.22Å; R290-L292 PolarHBondContact O-N 3.34Å
291D95.1Very high95.9Very high86 Ų8663.5 Ų63.546%0.4633%0.329SS..  trans-82.291.6175.4-169-15.8000111.1C289 S293 A294 L295C289-D291 VanDerWaalsContact SG-C 3.56Å; C289-D291 PolarHBondContact SG-O 2.8Å; D291-S293 VanDerWaalsContact C-N 3.26Å; D291-S293 WeakPolarHBondContact OD1-CA 3.48Å; D291-S293 VanDerWaalsContact OD1-CB 3.26Å; D291-S293 WeakPolarHBondContact OD1-CB 3.2Å; D291-S293 PolarHBondContact OD1-N 2.99Å; D291-A294 HydrophobicContact CB-CB 4.25Å; D291-A294 PolarHBondContact OD1-N 3.25Å; D291-L295 PolarHBondContact O-N 3.14Å
292L95.3Very high96.1Very high114 Ų11462.2 Ų62.260%0.59732%0.318SS*.Hα-helixtrans-69.4-24173.3-177.660.2000112.3R290 L295 M296R290-L292 PolarHBondContact O-N 3.34Å; L292-L295 HydrophobicContact CD1-CD2 4.48Å; L292-M296 HydrophobicContact CD1-CG 4.01Å; L292-M296 HydrophobicContact CG-CG 4.19Å; L292-M296 VanDerWaalsContact O-CB 3.29Å; L292-M296 WeakPolarHBondContact O-CB 3.26Å; L292-M296 VanDerWaalsContact O-CG 3.25Å; L292-M296 WeakPolarHBondContact O-CG 3.46Å; L292-M296 PolarHBondContact O-N 3.07Å
293S96.3Very high96.1Very high95 Ų9562.1 Ų62.166%0.66432%0.322SS*.Hα-helixtrans-70.3-45.5180-165.90000110.7D291 M296 H297D291-S293 VanDerWaalsContact C-N 3.26Å; D291-S293 WeakPolarHBondContact OD1-CA 3.48Å; D291-S293 VanDerWaalsContact OD1-CB 3.26Å; D291-S293 WeakPolarHBondContact OD1-CB 3.2Å; D291-S293 PolarHBondContact OD1-N 2.99Å; S293-M296 PolarHBondContact O-N 2.81Å; S293-H297 PolarHBondContact O-N 2.84Å
294A96.1Very high96.3Very high24 Ų2460.4 Ų60.420%0.19831%0.313CS..Hα-helixtrans-67.1-39.4175.700000112.1I268 D291 M296 H297 E298I268-A294 HydrophobicContact CB-CB 3.85Å; I268-A294 HydrophobicContact CG1-CB 3.52Å; D291-A294 HydrophobicContact CB-CB 4.25Å; D291-A294 PolarHBondContact OD1-N 3.25Å; A294-M296 PolarHBondContact O-N 3.32Å; A294-H297 WeakPolarHBondContact O-CB 3.39Å; A294-H297 PolarHBondContact O-N 3.05Å; A294-E298 PolarHBondContact O-N 3.34Å
295L96.4Very high96.6Very high10 Ų1055.7 Ų55.75%0.05229%0.294CS..Hα-helixtrans-62.7-41.9172.1178.161.5000112.4F282 I287 D291 L292 H297 E298 L299F282-L295 HydrophobicContact CE1-CD1 3.69Å; F282-L295 HydrophobicContact CZ-CD1 3.82Å; I287-L295 HydrophobicContact CB-CD1 4.24Å; I287-L295 HydrophobicContact CG2-CD1 3.98Å; D291-L295 PolarHBondContact O-N 3.14Å; L292-L295 HydrophobicContact CD1-CD2 4.48Å; L295-H297 VanDerWaalsContact C-N 3.3Å; L295-H297 PolarHBondContact O-N 2.91Å; L295-E298 PolarHBondContact O-N 2.96Å; L295-L299 HydrophobicContact CD1-CD1 3.96Å; L295-L299 HydrophobicContact CD1-CG 4.17Å; L295-L299 HydrophobicContact CG-CD1 3.96Å; L295-L299 VanDerWaalsContact O-CG 3.31Å; L295-L299 WeakPolarHBondContact O-CG 3.36Å; L295-L299 PolarHBondContact O-N 2.9Å; L295-L299 VanDerWaalsContact O-N 3.12Å
296M97.3Very high96.8Very high93 Ų9361 Ų6146%0.45831%0.305SS..Hα-helixtrans-70-25.8176.4-74.7-54.6-45.500112.9L292 S293 A294 L299 S300L292-M296 HydrophobicContact CD1-CG 4.01Å; L292-M296 HydrophobicContact CG-CG 4.19Å; L292-M296 VanDerWaalsContact O-CB 3.29Å; L292-M296 WeakPolarHBondContact O-CB 3.26Å; L292-M296 VanDerWaalsContact O-CG 3.25Å; L292-M296 WeakPolarHBondContact O-CG 3.46Å; L292-M296 PolarHBondContact O-N 3.07Å; S293-M296 PolarHBondContact O-N 2.81Å; A294-M296 PolarHBondContact O-N 3.32Å; M296-L299 HydrophobicContact SD-CD1 4.48Å; M296-S300 WeakPolarHBondContact O-CB 3.47Å; M296-S300 PolarHBondContact O-N 3.21Å; M296-S300 PolarHBondContact O-OG 2.72Å
297H96.9Very high96.9Very high74 Ų7465.2 Ų65.234%0.34332%0.324SS..Hα-helixtrans-65-54.2171.7-17880000110.7S293 A294 L295 L299 S300 N301 E373S293-H297 PolarHBondContact O-N 2.84Å; A294-H297 WeakPolarHBondContact O-CB 3.39Å; A294-H297 PolarHBondContact O-N 3.05Å; L295-H297 VanDerWaalsContact C-N 3.3Å; L295-H297 PolarHBondContact O-N 2.91Å; H297-L299 PolarHBondContact O-N 2.75Å; H297-S300 CarbonylContact O-C 3.47Å; H297-S300 WeakPolarHBondContact O-CA 3.41Å; H297-S300 WeakPolarHBondContact O-CB 3.48Å; H297-S300 PolarHBondContact O-N 3.45Å; H297-N301 PolarHBondContact CD2-ND2 2.89Å; H297-N301 PolarHBondContact NE2-ND2 2.79Å; H297-N301 VanDerWaalsContact O-CG 3.32Å; H297-N301 PolarHBondContact O-N 3.07Å; H297-E373 IonicContact CE1-OE2 3.92Å
298E97.4Very high97Very high25 Ų2565.1 Ų65.112%0.11732%0.324CS..Hα-helixtrans-56.4-49177.5-64.1-45.6126.900112.7I268 F282 A294 L295 S300 N301 D302I268-E298 HydrophobicContact CG2-CG 3.95Å; F282-E298 HydrophobicContact CD1-CB 4.46Å; F282-E298 HydrophobicContact CE1-CB 3.64Å; F282-E298 HydrophobicContact CE1-CG 4.2Å; F282-E298 HydrophobicContact CZ-CB 4.21Å; F282-E298 HydrophobicContact CZ-CG 4.27Å; A294-E298 PolarHBondContact O-N 3.34Å; L295-E298 PolarHBondContact O-N 2.96Å; E298-S300 PolarHBondContact O-N 3.49Å; E298-N301 WeakPolarHBondContact O-CB 3.36Å; E298-N301 PolarHBondContact O-N 3.08Å; E298-N301 VanDerWaalsContact O-N 3.08Å; E298-D302 PolarHBondContact O-N 2.89Å; E298-D302 VanDerWaalsContact O-N 3.07Å
299L97.2Very high97.1Very high40 Ų4063.4 Ų63.421%0.20932%0.318CS..Hα-helixtrans-65.5-28178.5-64.5174.8000112.6F282 L295 M296 H297 G303F282-L299 HydrophobicContact CD1-CD2 4.26Å; F282-L299 HydrophobicContact CE1-CD2 4.44Å; L295-L299 HydrophobicContact CD1-CD1 3.96Å; L295-L299 HydrophobicContact CD1-CG 4.17Å; L295-L299 HydrophobicContact CG-CD1 3.96Å; L295-L299 VanDerWaalsContact O-CG 3.31Å; L295-L299 WeakPolarHBondContact O-CG 3.36Å; L295-L299 PolarHBondContact O-N 2.9Å; L295-L299 VanDerWaalsContact O-N 3.12Å; M296-L299 HydrophobicContact SD-CD1 4.48Å; H297-L299 PolarHBondContact O-N 2.75Å; L299-G303 PolarHBondContact O-N 3.3Å; L299-G303 VanDerWaalsContact O-N 3.1Å
300S97.7Very high97.2Very high59 Ų5967.4 Ų67.441%0.41333%0.331SS..Hα-helixtrans-73.8-35.5172.2-62.60000111.9M296 H297 E298 G303 A304M296-S300 WeakPolarHBondContact O-CB 3.47Å; M296-S300 PolarHBondContact O-N 3.21Å; M296-S300 PolarHBondContact O-OG 2.72Å; H297-S300 CarbonylContact O-C 3.47Å; H297-S300 WeakPolarHBondContact O-CA 3.41Å; H297-S300 WeakPolarHBondContact O-CB 3.48Å; H297-S300 PolarHBondContact O-N 3.45Å; E298-S300 PolarHBondContact O-N 3.49Å; S300-G303 CarbonylContact O-C 3.57Å; S300-G303 PolarHBondContact O-N 3.04Å; S300-A304 VanDerWaalsContact O-CB 3.26Å; S300-A304 WeakPolarHBondContact O-CB 3.47Å; S300-A304 PolarHBondContact O-N 3.18Å
301N97.8Very high97.4Very high32 Ų3259.1 Ų59.117%0.17130%0.3CS..Hα-helixtrans-64.9-43.3175.7-66.6-21.1000110.9H297 E298 G303 A304 R305 V377H297-N301 PolarHBondContact CD2-ND2 2.89Å; H297-N301 PolarHBondContact NE2-ND2 2.79Å; H297-N301 VanDerWaalsContact O-CG 3.32Å; H297-N301 PolarHBondContact O-N 3.07Å; E298-N301 WeakPolarHBondContact O-CB 3.36Å; E298-N301 PolarHBondContact O-N 3.08Å; E298-N301 VanDerWaalsContact O-N 3.08Å; N301-G303 VanDerWaalsContact C-N 3.32Å; N301-G303 PolarHBondContact O-N 3.1Å; N301-A304 PolarHBondContact O-N 3.43Å; N301-R305 WeakPolarHBondContact O-CB 3.2Å; N301-R305 PolarHBondContact O-N 3.45Å; N301-V377 HydrophobicContact CB-CG2 4.23Å
302D97.3Very high97.6Very high35 Ų3555.4 Ų55.419%0.18728%0.28CS..Hα-helixtrans-63-37.4171.3-67.8-46.7000112.6R272 E298 R306R272-D302 IonicContact CZ-OD1 2.68Å; R272-D302 IonicContact CZ-OD2 2.68Å; R272-D302 IonicContact NH1-OD1 2.74Å; R272-D302 PolarHBondContact NH1-OD1 3.14Å; R272-D302 IonicContact NH1-OD2 3.43Å; R272-D302 PolarHBondContact NH1-OD2 3.35Å; R272-D302 IonicContact NH2-OD1 3.26Å; R272-D302 PolarHBondContact NH2-OD1 3.09Å; R272-D302 IonicContact NH2-OD2 2.72Å; R272-D302 PolarHBondContact NH2-OD2 3.25Å; E298-D302 PolarHBondContact O-N 2.89Å; E298-D302 VanDerWaalsContact O-N 3.07Å; D302-R306 WeakPolarHBondContact O-CG 3.01Å; D302-R306 PolarHBondContact O-N 3.32Å; D302-R306 PolarHBondContact O-NE 3.29Å
303G97.7Very high97.7Very high16 Ų1653.7 Ų53.717%0.16527%0.269CS..Hα-helixtrans-66.3-41.517500000112.5L299 S300 N301 Q307L299-G303 PolarHBondContact O-N 3.3Å; L299-G303 VanDerWaalsContact O-N 3.1Å; S300-G303 CarbonylContact O-C 3.57Å; S300-G303 PolarHBondContact O-N 3.04Å; N301-G303 VanDerWaalsContact C-N 3.32Å; N301-G303 PolarHBondContact O-N 3.1Å; G303-Q307 WeakPolarHBondContact O-CB 3.42Å; G303-Q307 WeakPolarHBondContact O-CG 3.16Å; G303-Q307 PolarHBondContact O-N 3.39Å; G303-Q307 VanDerWaalsContact O-N 3.07Å
304A98.6Very high97.8Very high3 Ų355.1 Ų55.13%0.02527%0.266CS..Hα-helixtrans-71.1-40.9-179.600000111.8S300 N301 Q307 F308 F368 N374 V377S300-A304 VanDerWaalsContact O-CB 3.26Å; S300-A304 WeakPolarHBondContact O-CB 3.47Å; S300-A304 PolarHBondContact O-N 3.18Å; N301-A304 PolarHBondContact O-N 3.43Å; A304-Q307 PolarHBondContact O-N 3.16Å; A304-F308 WeakPolarHBondContact O-CB 3.2Å; A304-F308 PolarHBondContact O-N 3.05Å; A304-F368 HydrophobicContact CB-CE2 3.93Å; A304-F368 HydrophobicContact CB-CZ 4.28Å; A304-F368 WeakPolarHBondContact O-CE2 3.32Å; A304-N374 WeakPolarHBondContact CB-OD1 3.47Å; A304-V377 HydrophobicContact CB-CB 4.47Å; A304-V377 HydrophobicContact CB-CG1 4.2Å
305R98.4Very high97.8Very high80 Ų8056.1 Ų56.130%0.30227%0.267SS..Hα-helixtrans-55.8-56.3173.1176175-78.4-88.56.8110.8N301 Q307 F308 D309 V377 V381 E384N301-R305 WeakPolarHBondContact O-CB 3.2Å; N301-R305 PolarHBondContact O-N 3.45Å; R305-Q307 VanDerWaalsContact C-N 3.34Å; R305-Q307 PolarHBondContact O-N 3.15Å; R305-F308 PolarHBondContact O-N 2.86Å; R305-D309 PolarHBondContact O-N 3.35Å; R305-V377 HydrophobicContact CB-CG1 3.86Å; R305-V381 HydrophobicContact CG-CG2 4.01Å; R305-E384 IonicContact CZ-OE1 3.33Å; R305-E384 IonicContact CZ-OE2 2.72Å; R305-E384 IonicContact NH1-OE1 2.97Å; R305-E384 IonicContact NH1-OE2 2.72Å; R305-E384 PolarHBondContact NH1-OE2 2.57Å; R305-E384 IonicContact NH2-OE1 3.52Å; R305-E384 PolarHBondContact NH2-OE1 3.02Å; R305-E384 IonicContact NH2-OE2 2.74Å; R305-E384 PolarHBondContact NH2-OE2 3.29Å
306R98.1Very high97.9Very high172 Ų17255.6 Ų55.665%0.64926%0.264SS*.Hα-helixtrans-60.7-37.5179.6-72.7174.8-70.9171.4-4.6113.7D302 F310D302-R306 WeakPolarHBondContact O-CG 3.01Å; D302-R306 PolarHBondContact O-N 3.32Å; D302-R306 PolarHBondContact O-NE 3.29Å; R306-F310 PolarHBondContact O-N 3.4Å
307Q98.3Very high97.9Very high95 Ų9554.2 Ų54.244%0.44426%0.258SS..Hα-helixtrans-66.9-40.9173-77.8177.955.500111.9G303 A304 R305 F310 Y311 F368G303-Q307 WeakPolarHBondContact O-CB 3.42Å; G303-Q307 WeakPolarHBondContact O-CG 3.16Å; G303-Q307 PolarHBondContact O-N 3.39Å; G303-Q307 VanDerWaalsContact O-N 3.07Å; A304-Q307 PolarHBondContact O-N 3.16Å; R305-Q307 VanDerWaalsContact C-N 3.34Å; R305-Q307 PolarHBondContact O-N 3.15Å; Q307-F310 PolarHBondContact O-N 2.84Å; Q307-Y311 HydrophobicContact CB-CE2 4.13Å; Q307-Y311 WeakPolarHBondContact O-CD2 3.39Å; Q307-Y311 PolarHBondContact O-N 3.19Å; Q307-F368 HydrophobicContact CB-CD2 4.3Å; Q307-F368 HydrophobicContact CB-CE2 4.15Å
308F98.6Very high97.9Very high0 Ų053.9 Ų53.90%026%0.263CS..Hα-helixtrans-72.5-37.3-179.8-174.2-105.6000113.1A304 R305 F310 Y311 L312 F368 F369 A378 V381 L382A304-F308 WeakPolarHBondContact O-CB 3.2Å; A304-F308 PolarHBondContact O-N 3.05Å; R305-F308 PolarHBondContact O-N 2.86Å; F308-F310 VanDerWaalsContact C-N 3.31Å; F308-F310 PolarHBondContact O-N 3.32Å; F308-Y311 CarbonylContact O-C 3.57Å; F308-Y311 PolarHBondContact O-N 3.15Å; F308-L312 HydrophobicContact CE1-CB 4.18Å; F308-L312 HydrophobicContact CE1-CD2 4.13Å; F308-L312 HydrophobicContact CZ-CB 4.26Å; F308-L312 WeakPolarHBondContact O-CB 3.21Å; F308-L312 PolarHBondContact O-N 2.95Å; F308-F368 HydrophobicContact CB-CE1 4.07Å; F308-F368 HydrophobicContact CB-CE2 4.39Å; F308-F368 HydrophobicContact CB-CZ 3.68Å; F308-F368 AromaticContact CD2-CE1 3.83Å; F308-F368 HydrophobicContact CD2-CE1 3.83Å; F308-F368 HydrophobicContact CD2-CZ 4.33Å; F308-F368 HydrophobicContact CG-CE1 4.25Å; F308-F368 HydrophobicContact CG-CZ 4.33Å; F308-F369 HydrophobicContact CD2-CE1 4.3Å; F308-F369 HydrophobicContact CD2-CZ 4.16Å; F308-F369 HydrophobicContact CE2-CE1 4.13Å; F308-F369 AromaticContact CE2-CZ 3.7Å; F308-F369 HydrophobicContact CE2-CZ 3.7Å; F308-A378 HydrophobicContact CB-CB 4.42Å; F308-A378 HydrophobicContact CD1-CB 3.66Å; F308-A378 HydrophobicContact CD2-CB 3.67Å; F308-A378 HydrophobicContact CE1-CB 3.8Å; F308-A378 HydrophobicContact CE2-CB 3.84Å; F308-A378 HydrophobicContact CG-CB 3.59Å; F308-A378 HydrophobicContact CZ-CB 3.89Å; F308-V381 HydrophobicContact CD1-CB 3.75Å; F308-V381 HydrophobicContact CD1-CG1 3.83Å; F308-V381 HydrophobicContact CD1-CG2 4.11Å; F308-V381 HydrophobicContact CE1-CB 4.03Å; F308-V381 HydrophobicContact CE1-CG1 4.02Å; F308-L382 HydrophobicContact CE1-CD1 4.42Å; F308-L382 HydrophobicContact CE1-CD2 4.07Å; F308-L382 HydrophobicContact CE1-CG 3.85Å; F308-L382 HydrophobicContact CZ-CD1 4.14Å; F308-L382 HydrophobicContact CZ-CD2 4.01Å; F308-L382 HydrophobicContact CZ-CG 3.97Å
309D98.4Very high97.9Very high40 Ų4054.6 Ų54.621%0.21427%0.267CS..Hα-helixtrans-55.6-47.6170.8-82.6-64.4000110.4R305 Y311 L312 E313 R385R305-D309 PolarHBondContact O-N 3.35Å; D309-Y311 PolarHBondContact O-N 3.01Å; D309-L312 PolarHBondContact O-N 3.34Å; D309-E313 WeakPolarHBondContact O-CG 3.38Å; D309-E313 PolarHBondContact O-N 3.27Å; D309-E313 VanDerWaalsContact O-N 3.08Å; D309-R385 IonicContact OD1-CZ 2.89Å; D309-R385 IonicContact OD1-NE 3.21Å; D309-R385 IonicContact OD1-NH2 2.86Å; D309-R385 PolarHBondContact OD1-NH2 2.96Å
310F98.4Very high97.9Very high121 Ų12153.5 Ų53.553%0.53126%0.261SS..Hα-helixtrans-60-46.7174.4176.5-97.8000112.7R306 Q307 F308 L312 E314R306-F310 PolarHBondContact O-N 3.4Å; Q307-F310 PolarHBondContact O-N 2.84Å; F308-F310 VanDerWaalsContact C-N 3.31Å; F308-F310 PolarHBondContact O-N 3.32Å; F310-L312 VanDerWaalsContact C-N 3.29Å; F310-L312 PolarHBondContact O-N 2.97Å; F310-E314 HydrophobicContact CD2-CG 3.95Å; F310-E314 HydrophobicContact CE1-CG 4.31Å; F310-E314 HydrophobicContact CE2-CG 3.63Å; F310-E314 HydrophobicContact CG-CG 4.42Å; F310-E314 HydrophobicContact CZ-CG 3.82Å; F310-E314 WeakPolarHBondContact O-CB 3.45Å; F310-E314 VanDerWaalsContact O-CG 3.3Å; F310-E314 WeakPolarHBondContact O-CG 3.43Å; F310-E314 PolarHBondContact O-N 3.29Å; F310-E314 VanDerWaalsContact O-N 3.08Å
311Y98.6Very high97.8Very high27 Ų2753.7 Ų53.711%0.10626%0.259CS..Hα-helixtrans-66.7-28.9177.8-63-32000113.6Q307 F308 D309 M315 V316 L365 F368Q307-Y311 HydrophobicContact CB-CE2 4.13Å; Q307-Y311 WeakPolarHBondContact O-CD2 3.39Å; Q307-Y311 PolarHBondContact O-N 3.19Å; F308-Y311 CarbonylContact O-C 3.57Å; F308-Y311 PolarHBondContact O-N 3.15Å; D309-Y311 PolarHBondContact O-N 3.01Å; Y311-M315 HydrophobicContact CD1-CE 3.26Å; Y311-M315 HydrophobicContact CE1-CE 4.06Å; Y311-M315 HydrophobicContact CG-CE 3.63Å; Y311-M315 PolarHBondContact O-N 3.14Å; Y311-M315 VanDerWaalsContact O-N 3.14Å; Y311-V316 PolarHBondContact O-N 2.89Å; Y311-L365 HydrophobicContact CD2-CD1 3.61Å; Y311-L365 HydrophobicContact CE2-CD1 4.34Å; Y311-L365 HydrophobicContact CG-CD1 3.86Å; Y311-F368 HydrophobicContact CD2-CB 4.42Å; Y311-F368 HydrophobicContact CD2-CD1 4.46Å; Y311-F368 HydrophobicContact CD2-CD2 4.41Å; Y311-F368 HydrophobicContact CD2-CG 4.17Å; Y311-F368 HydrophobicContact CE2-CB 3.84Å; Y311-F368 AromaticContact CE2-CD2 3.97Å; Y311-F368 HydrophobicContact CE2-CD2 3.97Å; Y311-F368 AromaticContact CE2-CG 3.88Å; Y311-F368 HydrophobicContact CE2-CG 3.88Å
312L98.1Very high97.8Very high8 Ų853.8 Ų53.84%0.04227%0.265CS..Iπ-helixtrans-68.8-53.7177176.256.3000110.2F308 D309 F310 V316 L317 V381 L382 R385F308-L312 HydrophobicContact CE1-CB 4.18Å; F308-L312 HydrophobicContact CE1-CD2 4.13Å; F308-L312 HydrophobicContact CZ-CB 4.26Å; F308-L312 WeakPolarHBondContact O-CB 3.21Å; F308-L312 PolarHBondContact O-N 2.95Å; D309-L312 PolarHBondContact O-N 3.34Å; F310-L312 VanDerWaalsContact C-N 3.29Å; F310-L312 PolarHBondContact O-N 2.97Å; L312-V316 HydrophobicContact CD1-CB 3.98Å; L312-V316 HydrophobicContact CD1-CG1 4.1Å; L312-V316 PolarHBondContact O-N 3.26Å; L312-L317 WeakPolarHBondContact O-CB 3.4Å; L312-L317 PolarHBondContact O-N 3.4Å; L312-V381 HydrophobicContact CD2-CG1 4.03Å; L312-L382 HydrophobicContact CD1-CD2 3.87Å; L312-L382 HydrophobicContact CD2-CD2 4.21Å; L312-R385 HydrophobicContact CD2-CG 4.02Å
313E97.9Very high97.7Very high79 Ų7952.2 Ų52.237%0.36926%0.256SS..Iπ-helixtrans-64-43.9179.3-54.5-63.2168.400112.1D309 L317 R385D309-E313 WeakPolarHBondContact O-CG 3.38Å; D309-E313 PolarHBondContact O-N 3.27Å; D309-E313 VanDerWaalsContact O-N 3.08Å; E313-L317 VanDerWaalsContact OE2-CD2 3.27Å; E313-L317 WeakPolarHBondContact OE2-CD2 3.37Å; E313-R385 IonicContact OE1-CZ 2.94Å; E313-R385 IonicContact OE1-NH1 3.81Å; E313-R385 PolarHBondContact OE1-NH1 3.42Å; E313-R385 IonicContact OE1-NH2 3.76Å; E313-R385 PolarHBondContact OE1-NH2 3.43Å
314E97.9Very high97.6Very high125 Ų12553.4 Ų53.458%0.58427%0.265SS*.Iπ-helixtrans-84.3-30.8-169.6-65.8-76.5132.700114.8F310F310-E314 HydrophobicContact CD2-CG 3.95Å; F310-E314 HydrophobicContact CE1-CG 4.31Å; F310-E314 HydrophobicContact CE2-CG 3.63Å; F310-E314 HydrophobicContact CG-CG 4.42Å; F310-E314 HydrophobicContact CZ-CG 3.82Å; F310-E314 WeakPolarHBondContact O-CB 3.45Å; F310-E314 VanDerWaalsContact O-CG 3.3Å; F310-E314 WeakPolarHBondContact O-CG 3.43Å; F310-E314 PolarHBondContact O-N 3.29Å; F310-E314 VanDerWaalsContact O-N 3.08Å
315M97.6Very high97.5Very high44 Ų4460.7 Ų60.722%0.21730%0.298CS..Iπ-helixtrans-124.5-35.3-172.7-64.2-179.3-6800114.6Y311 I360 L365Y311-M315 HydrophobicContact CD1-CE 3.26Å; Y311-M315 HydrophobicContact CE1-CE 4.06Å; Y311-M315 HydrophobicContact CG-CE 3.63Å; Y311-M315 PolarHBondContact O-N 3.14Å; Y311-M315 VanDerWaalsContact O-N 3.14Å; M315-I360 HydrophobicContact CB-CD1 4.02Å; M315-I360 HydrophobicContact CB-CG2 4.47Å; M315-I360 HydrophobicContact SD-CG2 4.1Å; M315-L365 HydrophobicContact CE-CB 4.09Å; M315-L365 HydrophobicContact CE-CD1 4.31Å; M315-L365 HydrophobicContact CE-CD2 4.05Å; M315-L365 HydrophobicContact CE-CG 4.38Å
316V97.6Very high97.3Very high0 Ų063.1 Ų63.10%032%0.317CS..Iπ-helixtrans-90.5-42.4-175-176.10000111.4Y311 L312 L319 M320 I360 I424 M426Y311-V316 PolarHBondContact O-N 2.89Å; L312-V316 HydrophobicContact CD1-CB 3.98Å; L312-V316 HydrophobicContact CD1-CG1 4.1Å; L312-V316 PolarHBondContact O-N 3.26Å; V316-L319 PolarHBondContact O-N 3.17Å; V316-M320 HydrophobicContact CG1-CG 4.36Å; V316-M320 HydrophobicContact CG1-SD 3.95Å; V316-M320 WeakPolarHBondContact O-CG 3.43Å; V316-M320 PolarHBondContact O-N 3.25Å; V316-I360 HydrophobicContact CG2-CD1 3.89Å; V316-I424 HydrophobicContact CG1-CD1 4.34Å; V316-I424 HydrophobicContact CG2-CD1 3.88Å; V316-M426 HydrophobicContact CG1-CE 3.65Å; V316-M426 HydrophobicContact CG1-SD 4.28Å
317L97.7Very high97.1Very high64 Ų6457 Ų5734%0.33531%0.307SS..Hα-helixtrans-61.2-41.3-179.6-178.862.4000113.4L312 E313 L319 M320 V321L312-L317 WeakPolarHBondContact O-CB 3.4Å; L312-L317 PolarHBondContact O-N 3.4Å; E313-L317 VanDerWaalsContact OE2-CD2 3.27Å; E313-L317 WeakPolarHBondContact OE2-CD2 3.37Å; L317-L319 VanDerWaalsContact C-N 3.27Å; L317-L319 PolarHBondContact O-N 3.32Å; L317-M320 PolarHBondContact O-N 3.27Å; L317-V321 HydrophobicContact CD1-CG2 4Å; L317-V321 HydrophobicContact CG-CG2 4.22Å; L317-V321 WeakPolarHBondContact O-CB 3.29Å; L317-V321 WeakPolarHBondContact O-CG2 3.3Å; L317-V321 PolarHBondContact O-N 3.14Å
318P97.8Very high96.9Very high67 Ų6756 Ų5644%0.43530%0.303SS..Hα-helixtrans-59.1-38.5176.7-25.836.3000112.9V321 A322P318-V321 PolarHBondContact O-N 2.86Å; P318-A322 PolarHBondContact O-N 3.41Å
319L96.8Very high96.7Very high39 Ų3962.2 Ų62.220%0.20433%0.326CS..Hα-helixtrans-68.9-41.7176.3-60.2-175.7000111.6V316 L317 A322 S323 V333 Q358 I360V316-L319 PolarHBondContact O-N 3.17Å; L317-L319 VanDerWaalsContact C-N 3.27Å; L317-L319 PolarHBondContact O-N 3.32Å; L319-A322 PolarHBondContact O-N 3.23Å; L319-S323 PolarHBondContact O-N 2.84Å; L319-V333 HydrophobicContact CD1-CG1 4.06Å; L319-V333 HydrophobicContact CD1-CG2 4.43Å; L319-Q358 VanDerWaalsContact CB-OE1 3.31Å; L319-Q358 HydrophobicContact CD1-CB 4.2Å; L319-Q358 PolarHBondContact O-NE2 3.09Å; L319-I360 HydrophobicContact CD1-CD1 3.99Å; L319-I360 HydrophobicContact CD1-CG1 3.47Å; L319-I360 VanDerWaalsContact CD1-CG1 3.47Å
320M96.2Very high96.4Very high17 Ų1763.2 Ų63.28%0.08433%0.33CS..Hα-helixtrans-63.5-39173.9-68.1173.357.500112.5V316 L317 S323 A324 C331 L387 M426 W428V316-M320 HydrophobicContact CG1-CG 4.36Å; V316-M320 HydrophobicContact CG1-SD 3.95Å; V316-M320 WeakPolarHBondContact O-CG 3.43Å; V316-M320 PolarHBondContact O-N 3.25Å; L317-M320 PolarHBondContact O-N 3.27Å; M320-S323 WeakPolarHBondContact O-CB 3.41Å; M320-S323 PolarHBondContact O-N 3.49Å; M320-A324 WeakPolarHBondContact O-CB 3.49Å; M320-A324 PolarHBondContact O-N 2.78Å; M320-C331 HydrophobicContact CG-CB 4.2Å; M320-L387 HydrophobicContact CE-CD1 3.81Å; M320-L387 HydrophobicContact CE-CD2 3.72Å; M320-L387 HydrophobicContact CE-CG 4.43Å; M320-M426 HydrophobicContact CE-CG 4.46Å; M320-M426 HydrophobicContact CG-CE 3.86Å; M320-M426 HydrophobicContact SD-CE 3.83Å; M320-M426 HydrophobicContact SD-CG 4.38Å; M320-M426 HydrophobicContact SD-SD 3.82Å; M320-W428 HydrophobicContact CB-CH2 4.43Å; M320-W428 HydrophobicContact CB-CZ3 4.11Å; M320-W428 HydrophobicContact CE-CE3 3.88Å; M320-W428 HydrophobicContact CE-CZ3 4.06Å; M320-W428 HydrophobicContact CG-CZ3 4.07Å
321V97.1Very high96.2Very high63 Ų6357.6 Ų57.638%0.38231%0.306SS..Hα-helixtrans-65.4-42.2176.31690000110.7L317 P318 A324 Q325L317-V321 HydrophobicContact CD1-CG2 4Å; L317-V321 HydrophobicContact CG-CG2 4.22Å; L317-V321 WeakPolarHBondContact O-CB 3.29Å; L317-V321 WeakPolarHBondContact O-CG2 3.3Å; L317-V321 PolarHBondContact O-N 3.14Å; P318-V321 PolarHBondContact O-N 2.86Å; V321-A324 PolarHBondContact O-N 3.08Å; V321-Q325 HydrophobicContact CG1-CG 4.42Å; V321-Q325 WeakPolarHBondContact O-CB 3.49Å; V321-Q325 VanDerWaalsContact O-CG 3.27Å; V321-Q325 WeakPolarHBondContact O-CG 3.44Å; V321-Q325 PolarHBondContact O-N 2.76Å
322A96.3Very high96.1Very high34 Ų3457.8 Ų57.828%0.28131%0.307SS..Hα-helixtrans-61.1-47.6174.100000112P318 L319 A324 Q325 N326P318-A322 PolarHBondContact O-N 3.41Å; L319-A322 PolarHBondContact O-N 3.23Å; A322-A324 PolarHBondContact O-N 3.08Å; A322-Q325 PolarHBondContact O-N 2.68Å; A322-N326 VanDerWaalsContact O-CG 3.27Å; A322-N326 PolarHBondContact O-N 3.21Å; A322-N326 PolarHBondContact O-ND2 2.99Å
323S94.9Very high96Very high2 Ų257.4 Ų57.41%0.01431%0.305CS..Hα-helixtrans-54-48.9171.5-87.30000112.2L319 M320 Q325 N326 G327 E328 Q358L319-S323 PolarHBondContact O-N 2.84Å; M320-S323 WeakPolarHBondContact O-CB 3.41Å; M320-S323 PolarHBondContact O-N 3.49Å; S323-Q325 PolarHBondContact O-N 3.26Å; S323-N326 CarbonylContact O-C 3.2Å; S323-N326 PolarHBondContact O-N 2.75Å; S323-G327 PolarHBondContact O-N 2.68Å; S323-E328 WeakPolarHBondContact CA-OE2 3.33Å; S323-E328 WeakPolarHBondContact CB-OE2 3.19Å; S323-E328 VanDerWaalsContact O-CB 3.31Å; S323-E328 WeakPolarHBondContact O-CB 3.34Å; S323-E328 PolarHBondContact O-N 3.4Å; S323-E328 PolarHBondContact OG-OE2 3.12Å; S323-Q358 PolarHBondContact OG-NE2 3.36Å
324A95.9Very high95.9Very high42 Ų4254 Ų5435%0.34729%0.29SS..Hα-helixtrans-64.6-37.9-178.600000112.6M320 V321 A322 G327 W428M320-A324 WeakPolarHBondContact O-CB 3.49Å; M320-A324 PolarHBondContact O-N 2.78Å; V321-A324 PolarHBondContact O-N 3.08Å; A322-A324 PolarHBondContact O-N 3.08Å; A324-G327 PolarHBondContact O-N 3.26Å; A324-G327 VanDerWaalsContact O-N 3.13Å; A324-W428 HydrophobicContact CB-CZ2 3.94Å
325Q96.8Very high95.9Very high156 Ų15648 Ų4873%0.72926%0.262SS*.Hα-helixtrans-66.3-36.2173.8-73.8173.5-1.400112.2V321 A322 S323 G327V321-Q325 HydrophobicContact CG1-CG 4.42Å; V321-Q325 WeakPolarHBondContact O-CB 3.49Å; V321-Q325 VanDerWaalsContact O-CG 3.27Å; V321-Q325 WeakPolarHBondContact O-CG 3.44Å; V321-Q325 PolarHBondContact O-N 2.76Å; A322-Q325 PolarHBondContact O-N 2.68Å; S323-Q325 PolarHBondContact O-N 3.26Å; Q325-G327 PolarHBondContact O-N 2.88Å
326N94.6Very high95.8Very high130 Ų13046 Ų4670%0.69525%0.252SS*.THydrogen-bonded Turntrans-71.4-3.9171.9-67.6-20.7000113.6A322 S323A322-N326 VanDerWaalsContact O-CG 3.27Å; A322-N326 PolarHBondContact O-N 3.21Å; A322-N326 PolarHBondContact O-ND2 2.99Å; S323-N326 CarbonylContact O-C 3.2Å; S323-N326 PolarHBondContact O-N 2.75Å
327G93.8Very high95.8Very high43 Ų4346.7 Ų46.744%0.44326%0.256SS..THydrogen-bonded Turntrans93.43178.200000115S323 A324 Q325 R329S323-G327 PolarHBondContact O-N 2.68Å; A324-G327 PolarHBondContact O-N 3.26Å; A324-G327 VanDerWaalsContact O-N 3.13Å; Q325-G327 PolarHBondContact O-N 2.88Å; G327-R329 VanDerWaalsContact C-NH1 3.33Å; G327-R329 PolarHBondContact O-NH1 2.94Å
328E93.5Very high95.7Very high74 Ų7448.3 Ų48.335%0.34627%0.265SS..  trans-71.7161.7-179.5-57176.8167.300112.1S323 W428S323-E328 WeakPolarHBondContact CA-OE2 3.33Å; S323-E328 WeakPolarHBondContact CB-OE2 3.19Å; S323-E328 VanDerWaalsContact O-CB 3.31Å; S323-E328 WeakPolarHBondContact O-CB 3.34Å; S323-E328 PolarHBondContact O-N 3.4Å; S323-E328 PolarHBondContact OG-OE2 3.12Å; E328-W428 PolarHBondContact O-NE1 2.98Å; E328-W428 VanDerWaalsContact O-NE1 3.16Å
329R93.9Very high95.6Very high131 Ų13152 Ų5249%0.49428%0.281SS..SBendtrans-126.4-0.2-179-59.4-64.3175.7-101.1-1113.5G327 S427 W428 E429G327-R329 VanDerWaalsContact C-NH1 3.33Å; G327-R329 PolarHBondContact O-NH1 2.94Å; R329-S427 WeakPolarHBondContact O-CA 3.38Å; R329-S427 WeakPolarHBondContact O-CB 3.3Å; R329-S427 PolarHBondContact O-OG 2.76Å; R329-W428 PolarHBondContact O-N 3.04Å; R329-W428 VanDerWaalsContact O-N 3.09Å; R329-E429 HydrophobicContact CB-CB 4Å; R329-E429 HydrophobicContact CB-CG 4.34Å; R329-E429 PolarHBondContact O-N 3.45Å
330E93.8Very high95.4Very high61 Ų6151.2 Ų51.229%0.28528%0.277SS..EExtended strand (participates in β ladder)trans-143.3163.216762.9179.2156.200109.9R425 M426E330-R425 IonicContact OE1-CZ 2.59Å; E330-R425 IonicContact OE1-NH2 3.83Å; E330-R425 PolarHBondContact OE1-NH2 3.06Å; E330-R425 IonicContact OE2-CZ 3.69Å; E330-R425 IonicContact OE2-NE 3.09Å; E330-R425 PolarHBondContact OE2-NE 2.83Å; E330-R425 IonicContact OE2-NH2 3.99Å; E330-R425 PolarHBondContact OE2-NH2 3.38Å; E330-M426 CarbonylContact C-O 3.59Å; E330-M426 VanDerWaalsContact CA-O 3.26Å; E330-M426 WeakPolarHBondContact CA-O 3.22Å; E330-M426 VanDerWaalsContact CB-O 3.31Å; E330-M426 WeakPolarHBondContact CB-O 3.43Å
331C94.3Very high95.1Very high4 Ų455.6 Ų55.63%0.02731%0.305CS..EExtended strand (participates in β ladder)trans-134.3134.7176.1179.90000108M320 V333 Q358 R425 M426 W428M320-C331 HydrophobicContact CG-CB 4.2Å; C331-V333 WeakPolarHBondContact SG-CG2 3.23Å; C331-Q358 PolarHBondContact SG-NE2 3.32Å; C331-Q358 VanDerWaalsContact SG-NE2 3.44Å; C331-R425 WeakPolarHBondContact O-CA 3.4Å; C331-M426 HydrophobicContact CB-CE 4.05Å; C331-M426 PolarHBondContact N-O 3.34Å; C331-M426 PolarHBondContact O-N 3.31Å; C331-M426 VanDerWaalsContact O-N 3.09Å; C331-W428 HydrophobicContact CB-CH2 3.67Å; C331-W428 HydrophobicContact CB-CZ3 3.55Å
332H95.1Very high94.8Very high31 Ų3154.4 Ų54.414%0.14430%0.298CS..EExtended strand (participates in β ladder)trans-114.1120.6168.1-174.5-162.4000108.1E355 S357 Q358 F423 I424H332-E355 IonicContact ND1-OE2 3.48Å; H332-S357 PolarHBondContact ND1-OG 3.14Å; H332-S357 CarbonylContact O-C 3.53Å; H332-S357 WeakPolarHBondContact O-CA 3.49Å; H332-Q358 PolarHBondContact O-N 2.9Å; H332-F423 AromaticContact NE2-CD2 3.51Å; H332-F423 AromaticContact NE2-CG 3.83Å; H332-I424 WeakPolarHBondContact CA-O 3.42Å
333V96.1Very high94.4Very high0 Ų058 Ų580%031%0.312CS..EExtended strand (participates in β ladder)trans-118130.3-178.4-173.80000109.2L319 C331 Q358 I360 F423 I424 M426L319-V333 HydrophobicContact CD1-CG1 4.06Å; L319-V333 HydrophobicContact CD1-CG2 4.43Å; C331-V333 WeakPolarHBondContact SG-CG2 3.23Å; V333-Q358 CarbonylContact C-O 3.55Å; V333-Q358 WeakPolarHBondContact CA-O 3.47Å; V333-I360 HydrophobicContact CG1-CB 4.48Å; V333-I360 HydrophobicContact CG1-CD1 3.56Å; V333-I360 HydrophobicContact CG1-CG1 3.7Å; V333-F423 CarbonylContact O-C 3.58Å; V333-F423 WeakPolarHBondContact O-CA 3.43Å; V333-I424 HydrophobicContact CB-CB 4.41Å; V333-I424 PolarHBondContact N-O 2.99Å; V333-I424 PolarHBondContact O-N 2.87Å; V333-M426 HydrophobicContact CG2-CE 3.83Å
334V96.1Very high94Very high7 Ų762.3 Ų62.34%0.04233%0.328CS..EExtended strand (participates in β ladder)trans-106.9135.5169.9178.40000109.6L336 Q358 I359 I360 Y397 R421 F423V334-L336 HydrophobicContact CG1-CD2 4.01Å; V334-Q358 PolarHBondContact N-O 3.03Å; V334-I359 WeakPolarHBondContact O-CA 3.3Å; V334-I360 PolarHBondContact O-N 2.91Å; V334-Y397 HydrophobicContact CB-CD2 4.09Å; V334-Y397 HydrophobicContact CB-CE2 4.03Å; V334-Y397 HydrophobicContact CG1-CD2 3.67Å; V334-Y397 HydrophobicContact CG1-CE2 4.02Å; V334-Y397 HydrophobicContact CG1-CG 3.95Å; V334-Y397 HydrophobicContact CG2-CD2 3.78Å; V334-Y397 HydrophobicContact CG2-CE2 3.8Å; V334-R421 HydrophobicContact CG1-CB 4.04Å; V334-F423 HydrophobicContact CG2-CB 4.35Å
335V97.6Very high93.5Very high0 Ų062.5 Ų62.50%032%0.323CS..EExtended strand (participates in β ladder)trans-102.9107.2-179.1-174.20000109.8I360 L365 F369 R421 P422V335-I360 CarbonylContact C-O 3.59Å; V335-I360 WeakPolarHBondContact CA-O 3.43Å; V335-L365 HydrophobicContact CB-CD2 4.46Å; V335-L365 HydrophobicContact CG1-CB 3.79Å; V335-L365 HydrophobicContact CG1-CD2 3.9Å; V335-L365 HydrophobicContact CG1-CG 3.81Å; V335-L365 HydrophobicContact CG2-CD2 3.65Å; V335-L365 HydrophobicContact CG2-CG 4.05Å; V335-F369 HydrophobicContact CG2-CD2 4.18Å; V335-F369 HydrophobicContact CG2-CE2 4.1Å; V335-R421 WeakPolarHBondContact O-CD 3.31Å; V335-P422 HydrophobicContact CB-CB 4.24Å; V335-P422 PolarHBondContact N-O 3.48Å
336L96.5Very high92.9Very high0 Ų064.4 Ų64.40%033%0.332CS..EExtended strand (participates in β ladder)trans-90.7157172.5-58.2-174000110.8V334 D340 V342 I359 I360 Y361 S362 Y397 R421V334-L336 HydrophobicContact CG1-CD2 4.01Å; L336-D340 HydrophobicContact CB-CB 4.07Å; L336-D340 HydrophobicContact CD1-CB 4.44Å; L336-V342 HydrophobicContact CD1-CG2 3.52Å; L336-I359 HydrophobicContact CD1-CG2 3.62Å; L336-I359 HydrophobicContact CG-CG2 3.89Å; L336-I360 PolarHBondContact N-O 3.35Å; L336-Y361 HydrophobicContact CB-CD1 3.84Å; L336-Y361 HydrophobicContact CB-CE1 3.97Å; L336-Y361 HydrophobicContact CB-CG 4.48Å; L336-Y361 HydrophobicContact CD1-CD1 4.33Å; L336-Y361 HydrophobicContact CD1-CE1 3.62Å; L336-Y361 HydrophobicContact CG-CE1 4.42Å; L336-S362 CarbonylContact O-C 3.59Å; L336-S362 PolarHBondContact O-N 3.18Å; L336-Y397 HydrophobicContact CD1-CE1 4.34Å; L336-Y397 HydrophobicContact CD2-CD1 4.03Å; L336-Y397 HydrophobicContact CD2-CE1 4.4Å; L336-R421 HydrophobicContact CD2-CB 4.29Å; L336-R421 HydrophobicContact CD2-CG 3.68Å
337T97Very high92.4Very high15 Ų1564.8 Ų64.89%0.09233%0.33CS..  trans-80159.7167.252.30000110.1D339 D340 T363 Y366T337-D339 PolarHBondContact O-N 2.99Å; T337-D340 WeakPolarHBondContact CB-OD2 3.36Å; T337-D340 PolarHBondContact N-OD2 2.98Å; T337-D340 WeakPolarHBondContact O-CB 3.45Å; T337-D340 PolarHBondContact O-N 2.68Å; T337-D340 VanDerWaalsContact O-N 3.12Å; T337-D340 VanDerWaalsContact OG1-CG 3.23Å; T337-D340 PolarHBondContact OG1-OD2 2.72Å; T337-T363 HydrophobicContact CG2-CG2 4.33Å; T337-Y366 HydrophobicContact CG2-CD1 3.55Å; T337-Y366 HydrophobicContact CG2-CD2 3.83Å; T337-Y366 HydrophobicContact CG2-CE1 4.09Å; T337-Y366 HydrophobicContact CG2-CE2 4.34Å; T337-Y366 HydrophobicContact CG2-CG 3.43Å; T337-Y366 VanDerWaalsContact CG2-CG 3.43Å
338D96.1Very high91.9Very high98 Ų9865.4 Ų65.452%0.52432%0.319SS..THydrogen-bonded Turntrans-69-15.6-176.9-44.7-51.4000112.1S362 T363D338-S362 WeakPolarHBondContact OD1-CA 3.27Å; D338-S362 PolarHBondContact OD1-N 2.82Å; D338-T363 PolarHBondContact N-OG1 3.12Å; D338-T363 PolarHBondContact OD1-N 3.01Å; D338-T363 VanDerWaalsContact OD1-N 3.16Å; D338-T363 WeakPolarHBondContact OD2-CB 3.21Å; D338-T363 PolarHBondContact OD2-N 3.09Å; D338-T363 PolarHBondContact OD2-OG1 2.74Å
339D94.7Very high91.4Very high144 Ų14465.8 Ų65.877%0.7733%0.328SS*.THydrogen-bonded Turntrans-93.8-2.5176.7-52-64000113.5T337T337-D339 PolarHBondContact O-N 2.99Å
340D93.8Very high90.8Very high23 Ų2360.2 Ų60.212%0.12331%0.309CS..  trans-77.7133.3-178.7-81.6-59.7000112.5L336 T337 R421L336-D340 HydrophobicContact CB-CB 4.07Å; L336-D340 HydrophobicContact CD1-CB 4.44Å; T337-D340 WeakPolarHBondContact CB-OD2 3.36Å; T337-D340 PolarHBondContact N-OD2 2.98Å; T337-D340 WeakPolarHBondContact O-CB 3.45Å; T337-D340 PolarHBondContact O-N 2.68Å; T337-D340 VanDerWaalsContact O-N 3.12Å; T337-D340 VanDerWaalsContact OG1-CG 3.23Å; T337-D340 PolarHBondContact OG1-OD2 2.72Å; D340-R421 IonicContact OD1-CZ 3.34Å; D340-R421 IonicContact OD1-NE 3.52Å; D340-R421 PolarHBondContact OD1-NE 3.2Å; D340-R421 IonicContact OD1-NH2 3.8Å; D340-R421 PolarHBondContact OD1-NH2 2.98Å; D340-R421 IonicContact OD2-CZ 2.8Å; D340-R421 VanDerWaalsContact OD2-CZ 3.24Å; D340-R421 IonicContact OD2-NE 3.09Å; D340-R421 PolarHBondContact OD2-NE 2.94Å; D340-R421 IonicContact OD2-NH2 3.85Å; D340-R421 PolarHBondContact OD2-NH2 2.67Å
341V89.4Confident89.9Confident109 Ų10966.6 Ų66.666%0.66134%0.339SS*.  trans-109.5127.5171.1-177.40000109.5
342V90Very high88.6Confident39 Ų3969 Ų6924%0.23635%0.35CS..  trans-112.4118.1174-175.40000107.8L336 W344 Y397L336-V342 HydrophobicContact CD1-CG2 3.52Å; V342-W344 HydrophobicContact CG1-CD2 4.2Å; V342-W344 HydrophobicContact CG1-CG 4.12Å; V342-W344 HydrophobicContact CG1-CZ2 4.31Å; V342-Y397 HydrophobicContact CG1-CE1 4.34Å; V342-Y397 HydrophobicContact CG2-CE1 4.08Å
343D87.7Confident87Confident109 Ų10970.6 Ų70.658%0.58338%0.375SS*.BIsolated β-bridgetrans-132.183.3-175-177.426.3000108.5T399 Y400D343-T399 CarbonylContact C-O 3.57Å; D343-T399 PolarHBondContact N-O 3.01Å; D343-Y400 WeakPolarHBondContact O-CA 3.44Å
344W87.6Confident85Confident93 Ų9380.4 Ų80.435%0.35242%0.421SS..  trans-87.2128.4-178.4-69.7-3.5000110.7V342 P350 M352 Y397 P398V342-W344 HydrophobicContact CG1-CD2 4.2Å; V342-W344 HydrophobicContact CG1-CG 4.12Å; V342-W344 HydrophobicContact CG1-CZ2 4.31Å; W344-P350 HydrophobicContact CD2-CG 3.6Å; W344-P350 HydrophobicContact CE3-CG 4.16Å; W344-P350 HydrophobicContact CG-CG 3.82Å; W344-P350 HydrophobicContact CZ2-CG 4.07Å; W344-M352 HydrophobicContact CH2-CE 4.1Å; W344-M352 HydrophobicContact CH2-CG 3.76Å; W344-M352 HydrophobicContact CH2-SD 3.82Å; W344-M352 HydrophobicContact CZ2-CE 4.32Å; W344-M352 HydrophobicContact CZ2-CG 4.24Å; W344-M352 HydrophobicContact CZ2-SD 3.78Å; W344-M352 HydrophobicContact CZ3-CG 4.27Å; W344-Y397 HydrophobicContact CZ2-CE1 4.04Å; W344-Y397 HydrophobicContact CZ2-CE2 4.43Å; W344-Y397 AromaticContact CZ2-CZ 3.7Å; W344-Y397 VanDerWaalsContact CZ2-OH 3.31Å; W344-Y397 WeakPolarHBondContact CZ2-OH 3.43Å; W344-P398 HydrophobicContact CZ2-CG 4.28Å; W344-P398 PolarHBondContact NE1-O 3.24Å
345D84.8Confident83.2Confident46 Ų4683 Ų8325%0.24643%0.432CS..  trans-79124.4-174.8176.1-98.9000111.8E347 Y348 P349 K401 Y416D345-E347 VanDerWaalsContact C-N 3.32Å; D345-E347 PolarHBondContact O-N 2.9Å; D345-E347 PolarHBondContact OD1-N 3.28Å; D345-Y348 CarbonylContact O-C 3.59Å; D345-Y348 PolarHBondContact O-N 3.32Å; D345-Y348 WeakPolarHBondContact OD1-CD2 3.28Å; D345-Y348 PolarHBondContact OD1-N 2.79Å; D345-P349 WeakPolarHBondContact O-CA 3.37Å; D345-P349 WeakPolarHBondContact O-CD 3.36Å; D345-K401 HydrophobicContact CB-CB 4.19Å; D345-K401 HydrophobicContact CB-CD 3.36Å; D345-K401 HydrophobicContact CB-CG 4.44Å; D345-K401 IonicContact OD1-NZ 3.04Å; D345-K401 PolarHBondContact OD1-NZ 2.61Å; D345-K401 WeakPolarHBondContact OD2-CD 3.33Å; D345-K401 IonicContact OD2-NZ 2.75Å; D345-K401 PolarHBondContact OD2-NZ 3.15Å; D345-Y416 PolarHBondContact N-OH 3.43Å
346E84Confident82Confident196 Ų19693.2 Ų93.292%0.91647%0.472SS*.SBendtrans-62.3-32.5-174-61.2-175.6167.800114.1
347E85.3Confident81.4Confident138 Ų13894.4 Ų94.465%0.64548%0.481SS*.SBendtrans-77.9-30.1-179.9-164.4-165.4154.800111.8D345D345-E347 VanDerWaalsContact C-N 3.32Å; D345-E347 PolarHBondContact O-N 2.9Å; D345-E347 PolarHBondContact OD1-N 3.28Å
348Y82.3Confident81.2Confident56 Ų5695.9 Ų95.922%0.2249%0.487CS..SBendtrans-140.166.4-178.6-54-90.7000112.4D345 P412 V414 Y416D345-Y348 CarbonylContact O-C 3.59Å; D345-Y348 PolarHBondContact O-N 3.32Å; D345-Y348 WeakPolarHBondContact OD1-CD2 3.28Å; D345-Y348 PolarHBondContact OD1-N 2.79Å; Y348-P412 HydrophobicContact CE1-CB 4.26Å; Y348-P412 HydrophobicContact CE1-CG 4.27Å; Y348-V414 HydrophobicContact CD1-CG2 3.61Å; Y348-V414 HydrophobicContact CD2-CG2 4.48Å; Y348-V414 HydrophobicContact CE1-CG2 4.36Å; Y348-V414 HydrophobicContact CG-CG2 3.7Å; Y348-Y416 WeakPolarHBondContact O-CE2 3.39Å; Y348-Y416 PolarHBondContact O-OH 2.62Å
349P82.7Confident81.1Confident82 Ų8294 Ų9453%0.53248%0.476SS..  trans-59152.6178.724-34.4000111.3D345D345-P349 WeakPolarHBondContact O-CA 3.37Å; D345-P349 WeakPolarHBondContact O-CD 3.36Å
350P82.1Confident81.2Confident14 Ų1487.8 Ų87.89%0.09144%0.443CS..  trans-63.9148.4-179.727.5-33000110.7W344 M352 P398 Y416W344-P350 HydrophobicContact CD2-CG 3.6Å; W344-P350 HydrophobicContact CE3-CG 4.16Å; W344-P350 HydrophobicContact CG-CG 3.82Å; W344-P350 HydrophobicContact CZ2-CG 4.07Å; P350-M352 HydrophobicContact CG-CG 4.33Å; P350-M352 HydrophobicContact CG-SD 4.45Å; P350-M352 PolarHBondContact O-N 3.06Å; P350-P398 HydrophobicContact CB-CB 3.83Å; P350-P398 HydrophobicContact CB-CG 3.74Å; P350-P398 HydrophobicContact CG-CB 4.24Å; P350-P398 HydrophobicContact CG-CG 3.93Å; P350-Y416 HydrophobicContact CB-CD1 4.36Å; P350-Y416 HydrophobicContact CB-CD2 4.04Å; P350-Y416 HydrophobicContact CB-CE1 4.25Å; P350-Y416 HydrophobicContact CB-CE2 3.91Å; P350-Y416 HydrophobicContact CB-CG 4.28Å; P350-Y416 WeakPolarHBondContact CD-OH 3.49Å; P350-Y416 HydrophobicContact CG-CE1 4.32Å
351Q75.3Confident81.4Confident194 Ų19492.1 Ų92.191%0.90746%0.458SS*.  trans-75.472.5171.1-68.4-179.60.800109.8
352M67.5Low81.8Confident56 Ų5687.5 Ų87.528%0.27643%0.43SS..  trans-54.9146.6155-57.4-56.3-7100108.1W344 P350 Y397 P398W344-M352 HydrophobicContact CH2-CE 4.1Å; W344-M352 HydrophobicContact CH2-CG 3.76Å; W344-M352 HydrophobicContact CH2-SD 3.82Å; W344-M352 HydrophobicContact CZ2-CE 4.32Å; W344-M352 HydrophobicContact CZ2-CG 4.24Å; W344-M352 HydrophobicContact CZ2-SD 3.78Å; W344-M352 HydrophobicContact CZ3-CG 4.27Å; P350-M352 HydrophobicContact CG-CG 4.33Å; P350-M352 HydrophobicContact CG-SD 4.45Å; P350-M352 PolarHBondContact O-N 3.06Å; M352-Y397 HydrophobicContact CE-CD2 4.3Å; M352-Y397 HydrophobicContact CE-CE2 3.66Å; M352-P398 HydrophobicContact SD-CG 3.59Å; M352-P398 VanDerWaalsContact SD-CG 3.59Å
353G61Low82.2Confident64 Ų6486.3 Ų86.366%0.6642%0.424SS*.  trans-67.1-171.8177.200000112.5E355G353-E355 PolarHBondContact O-N 3.27Å
354E52.7Low82.7Confident206 Ų20688.3 Ų88.396%0.96343%0.427SS*.SBendtrans-64.51.2176.6-57.9-178.8154.500113.7
355E60.2Low83.1Confident61 Ų6183.9 Ų83.929%0.28541%0.41SS..SBendtrans-111.9105.9-174.3-70.9158.7-141.300110.7H332 G353 S357 R425H332-E355 IonicContact ND1-OE2 3.48Å; G353-E355 PolarHBondContact O-N 3.27Å; E355-S357 PolarHBondContact O-N 2.92Å; E355-S357 VanDerWaalsContact O-N 3.13Å; E355-S357 PolarHBondContact O-OG 2.96Å; E355-R425 IonicContact OE1-CZ 2.72Å; E355-R425 IonicContact OE1-NH1 3.62Å; E355-R425 PolarHBondContact OE1-NH1 3.23Å; E355-R425 IonicContact OE1-NH2 2.79Å; E355-R425 PolarHBondContact OE1-NH2 3.44Å; E355-R425 IonicContact OE2-CZ 2.62Å; E355-R425 IonicContact OE2-NE 2.81Å; E355-R425 PolarHBondContact OE2-NE 2.94Å; E355-R425 IonicContact OE2-NH1 3.88Å; E355-R425 PolarHBondContact OE2-NH1 3.48Å; E355-R425 IonicContact OE2-NH2 3.09Å
356Y71.9Confident83.8Confident214 Ų21484.8 Ų84.884%0.83941%0.411SS*.  trans-56.8118.5168.5-78.1-84.1000109.6
357S84.5Confident84.4Confident26 Ų2683.6 Ų83.618%0.18240%0.398CS..EExtended strand (participates in β ladder)trans-98.6115.2-174.6-54.90000109.8H332 E355H332-S357 PolarHBondContact ND1-OG 3.14Å; H332-S357 CarbonylContact O-C 3.53Å; H332-S357 WeakPolarHBondContact O-CA 3.49Å; E355-S357 PolarHBondContact O-N 2.92Å; E355-S357 VanDerWaalsContact O-N 3.13Å; E355-S357 PolarHBondContact O-OG 2.96Å
358Q91.4Very high85Confident45 Ų4577.3 Ų77.321%0.2137%0.368CS..EExtended strand (participates in β ladder)trans-73156.5171.4-60.2-161.96000110.6L319 S323 C331 H332 V333 V334L319-Q358 VanDerWaalsContact CB-OE1 3.31Å; L319-Q358 HydrophobicContact CD1-CB 4.2Å; L319-Q358 PolarHBondContact O-NE2 3.09Å; S323-Q358 PolarHBondContact OG-NE2 3.36Å; C331-Q358 PolarHBondContact SG-NE2 3.32Å; C331-Q358 VanDerWaalsContact SG-NE2 3.44Å; H332-Q358 PolarHBondContact O-N 2.9Å; V333-Q358 CarbonylContact C-O 3.55Å; V333-Q358 WeakPolarHBondContact CA-O 3.47Å; V334-Q358 PolarHBondContact N-O 3.03Å
359I94.2Very high85.8Confident59 Ų5974.8 Ų74.830%0.30336%0.358SS..EExtended strand (participates in β ladder)trans-124.6129.7-171.1-54.3176.1000110.4V334 L336 Y361 Y397V334-I359 WeakPolarHBondContact O-CA 3.3Å; L336-I359 HydrophobicContact CD1-CG2 3.62Å; L336-I359 HydrophobicContact CG-CG2 3.89Å; I359-Y361 HydrophobicContact CB-CE2 4.45Å; I359-Y361 HydrophobicContact CG2-CD2 3.91Å; I359-Y361 HydrophobicContact CG2-CE2 3.52Å; I359-Y397 VanDerWaalsContact CD1-OH 3.28Å; I359-Y397 WeakPolarHBondContact CD1-OH 3.18Å
360I97.1Very high86.4Confident13 Ų1377.3 Ų77.37%0.06736%0.361CS..EExtended strand (participates in β ladder)trans-109.3123.9164.1-63.2171.4000108.1M315 V316 L319 V333 V334 V335 L336 L365M315-I360 HydrophobicContact CB-CD1 4.02Å; M315-I360 HydrophobicContact CB-CG2 4.47Å; M315-I360 HydrophobicContact SD-CG2 4.1Å; V316-I360 HydrophobicContact CG2-CD1 3.89Å; L319-I360 HydrophobicContact CD1-CD1 3.99Å; L319-I360 HydrophobicContact CD1-CG1 3.47Å; L319-I360 VanDerWaalsContact CD1-CG1 3.47Å; V333-I360 HydrophobicContact CG1-CB 4.48Å; V333-I360 HydrophobicContact CG1-CD1 3.56Å; V333-I360 HydrophobicContact CG1-CG1 3.7Å; V334-I360 PolarHBondContact O-N 2.91Å; V335-I360 CarbonylContact C-O 3.59Å; V335-I360 WeakPolarHBondContact CA-O 3.43Å; L336-I360 PolarHBondContact N-O 3.35Å; I360-L365 HydrophobicContact CB-CD2 4.49Å; I360-L365 HydrophobicContact CD1-CD2 3.8Å; I360-L365 HydrophobicContact CG2-CD2 4.02Å
361Y97.3Very high87.2Confident115 Ų11583.2 Ų83.245%0.45138%0.382SS..EExtended strand (participates in β ladder)trans-89.9110.2163.1-66.5-91.6000108.1L336 I359L336-Y361 HydrophobicContact CB-CD1 3.84Å; L336-Y361 HydrophobicContact CB-CE1 3.97Å; L336-Y361 HydrophobicContact CB-CG 4.48Å; L336-Y361 HydrophobicContact CD1-CD1 4.33Å; L336-Y361 HydrophobicContact CD1-CE1 3.62Å; L336-Y361 HydrophobicContact CG-CE1 4.42Å; I359-Y361 HydrophobicContact CB-CE2 4.45Å; I359-Y361 HydrophobicContact CG2-CD2 3.91Å; I359-Y361 HydrophobicContact CG2-CE2 3.52Å
362S97.9Very high88.2Confident11 Ų1178.3 Ų78.38%0.07736%0.362CS..  trans-163.8102177.1179.80000111L336 D338 K364 L365 Y366L336-S362 CarbonylContact O-C 3.59Å; L336-S362 PolarHBondContact O-N 3.18Å; D338-S362 WeakPolarHBondContact OD1-CA 3.27Å; D338-S362 PolarHBondContact OD1-N 2.82Å; S362-K364 PolarHBondContact O-N 3.2Å; S362-K364 VanDerWaalsContact O-N 3.15Å; S362-L365 PolarHBondContact O-N 3.2Å; S362-L365 VanDerWaalsContact O-N 3.14Å; S362-L365 PolarHBondContact OG-N 2.87Å; S362-L365 VanDerWaalsContact OG-N 3.15Å; S362-Y366 PolarHBondContact O-N 2.8Å
363T98Very high89.7Confident15 Ų1580.1 Ų80.19%0.09237%0.369CS..Hα-helixtrans-60.8-25173.4-54.80000112T337 D338 R367T337-T363 HydrophobicContact CG2-CG2 4.33Å; D338-T363 PolarHBondContact N-OG1 3.12Å; D338-T363 PolarHBondContact OD1-N 3.01Å; D338-T363 VanDerWaalsContact OD1-N 3.16Å; D338-T363 WeakPolarHBondContact OD2-CB 3.21Å; D338-T363 PolarHBondContact OD2-N 3.09Å; D338-T363 PolarHBondContact OD2-OG1 2.74Å; T363-R367 HydrophobicContact CG2-CG 4.43Å; T363-R367 WeakPolarHBondContact O-CB 3.3Å; T363-R367 WeakPolarHBondContact O-CG 3.36Å; T363-R367 PolarHBondContact O-N 2.83Å
364K98.1Very high91.4Very high151 Ų15178.3 Ų78.366%0.65734%0.344SS*.Hα-helixtrans-67-49.9174.1-64.3178.1-175.6171.80111.3S362 R367 F368S362-K364 PolarHBondContact O-N 3.2Å; S362-K364 VanDerWaalsContact O-N 3.15Å; K364-R367 PolarHBondContact O-N 2.89Å; K364-F368 PolarHBondContact O-N 2.98Å
365L98Very high93.6Very high0 Ų070.8 Ų70.80%031%0.307CS..Hα-helixtrans-67.7-37178.5-170.861.4000111.7Y311 M315 V335 I360 S362 F368 F369Y311-L365 HydrophobicContact CD2-CD1 3.61Å; Y311-L365 HydrophobicContact CE2-CD1 4.34Å; Y311-L365 HydrophobicContact CG-CD1 3.86Å; M315-L365 HydrophobicContact CE-CB 4.09Å; M315-L365 HydrophobicContact CE-CD1 4.31Å; M315-L365 HydrophobicContact CE-CD2 4.05Å; M315-L365 HydrophobicContact CE-CG 4.38Å; V335-L365 HydrophobicContact CB-CD2 4.46Å; V335-L365 HydrophobicContact CG1-CB 3.79Å; V335-L365 HydrophobicContact CG1-CD2 3.9Å; V335-L365 HydrophobicContact CG1-CG 3.81Å; V335-L365 HydrophobicContact CG2-CD2 3.65Å; V335-L365 HydrophobicContact CG2-CG 4.05Å; I360-L365 HydrophobicContact CB-CD2 4.49Å; I360-L365 HydrophobicContact CD1-CD2 3.8Å; I360-L365 HydrophobicContact CG2-CD2 4.02Å; S362-L365 PolarHBondContact O-N 3.2Å; S362-L365 VanDerWaalsContact O-N 3.14Å; S362-L365 PolarHBondContact OG-N 2.87Å; S362-L365 VanDerWaalsContact OG-N 3.15Å; L365-F368 HydrophobicContact CD1-CD1 4.43Å; L365-F368 WeakPolarHBondContact O-CB 3.39Å; L365-F368 PolarHBondContact O-N 2.96Å; L365-F369 HydrophobicContact CD1-CD2 3.98Å; L365-F369 HydrophobicContact CD1-CE2 3.48Å; L365-F369 VanDerWaalsContact CD1-CE2 3.48Å; L365-F369 HydrophobicContact CD1-CZ 4.08Å; L365-F369 HydrophobicContact CD2-CE2 4.13Å; L365-F369 HydrophobicContact CG-CD2 3.91Å; L365-F369 HydrophobicContact CG-CE2 3.64Å; L365-F369 WeakPolarHBondContact O-CD2 3.35Å; L365-F369 PolarHBondContact O-N 3.05Å
366Y97.8Very high95.4Very high65 Ų6571.1 Ų71.126%0.25531%0.311SS..Hα-helixtrans-57.5-49.1170.9171.9-91.2000111.8T337 S362 F368 F369 K370 P422T337-Y366 HydrophobicContact CG2-CD1 3.55Å; T337-Y366 HydrophobicContact CG2-CD2 3.83Å; T337-Y366 HydrophobicContact CG2-CE1 4.09Å; T337-Y366 HydrophobicContact CG2-CE2 4.34Å; T337-Y366 HydrophobicContact CG2-CG 3.43Å; T337-Y366 VanDerWaalsContact CG2-CG 3.43Å; S362-Y366 PolarHBondContact O-N 2.8Å; Y366-F368 VanDerWaalsContact C-N 3.3Å; Y366-F368 PolarHBondContact O-N 3.31Å; Y366-F369 PolarHBondContact O-N 3.38Å; Y366-K370 PolarHBondContact O-N 2.93Å; Y366-K370 VanDerWaalsContact O-N 3.17Å; Y366-P422 VanDerWaalsContact CD2-CD 3.45Å; Y366-P422 HydrophobicContact CD2-CG 3.95Å; Y366-P422 HydrophobicContact CE2-CG 4.41Å
367R97.7Very high96.7Very high170 Ų17061.9 Ų61.964%0.64228%0.277SS*.Hα-helixtrans-64.9-33.1177.6-74.7173.7-171.3173.79.3112.4T363 K364 K370T363-R367 HydrophobicContact CG2-CG 4.43Å; T363-R367 WeakPolarHBondContact O-CB 3.3Å; T363-R367 WeakPolarHBondContact O-CG 3.36Å; T363-R367 PolarHBondContact O-N 2.83Å; K364-R367 PolarHBondContact O-N 2.89Å; R367-K370 WeakPolarHBondContact O-CB 3.33Å
368F98.4Very high97.4Very high7 Ų760.7 Ų60.73%0.03127%0.268CS..Hα-helixtrans-62-53.7174176.7-93.7000111.5A304 Q307 F308 Y311 K364 L365 Y366 K370 N374 A378A304-F368 HydrophobicContact CB-CE2 3.93Å; A304-F368 HydrophobicContact CB-CZ 4.28Å; A304-F368 WeakPolarHBondContact O-CE2 3.32Å; Q307-F368 HydrophobicContact CB-CD2 4.3Å; Q307-F368 HydrophobicContact CB-CE2 4.15Å; F308-F368 HydrophobicContact CB-CE1 4.07Å; F308-F368 HydrophobicContact CB-CE2 4.39Å; F308-F368 HydrophobicContact CB-CZ 3.68Å; F308-F368 AromaticContact CD2-CE1 3.83Å; F308-F368 HydrophobicContact CD2-CE1 3.83Å; F308-F368 HydrophobicContact CD2-CZ 4.33Å; F308-F368 HydrophobicContact CG-CE1 4.25Å; F308-F368 HydrophobicContact CG-CZ 4.33Å; Y311-F368 HydrophobicContact CD2-CB 4.42Å; Y311-F368 HydrophobicContact CD2-CD1 4.46Å; Y311-F368 HydrophobicContact CD2-CD2 4.41Å; Y311-F368 HydrophobicContact CD2-CG 4.17Å; Y311-F368 HydrophobicContact CE2-CB 3.84Å; Y311-F368 AromaticContact CE2-CD2 3.97Å; Y311-F368 HydrophobicContact CE2-CD2 3.97Å; Y311-F368 AromaticContact CE2-CG 3.88Å; Y311-F368 HydrophobicContact CE2-CG 3.88Å; K364-F368 PolarHBondContact O-N 2.98Å; L365-F368 HydrophobicContact CD1-CD1 4.43Å; L365-F368 WeakPolarHBondContact O-CB 3.39Å; L365-F368 PolarHBondContact O-N 2.96Å; Y366-F368 VanDerWaalsContact C-N 3.3Å; Y366-F368 PolarHBondContact O-N 3.31Å; F368-K370 PolarHBondContact O-N 2.85Å; F368-N374 HydrophobicContact CD1-CB 4.39Å; F368-N374 HydrophobicContact CD2-CB 4.41Å; F368-N374 HydrophobicContact CE1-CB 3.96Å; F368-N374 HydrophobicContact CE2-CB 4Å; F368-N374 HydrophobicContact CZ-CB 3.73Å; F368-N374 VanDerWaalsContact O-CB 3.29Å; F368-N374 WeakPolarHBondContact O-CB 3.49Å; F368-N374 PolarHBondContact O-ND2 3.02Å; F368-A378 HydrophobicContact CE1-CB 4.21Å
369F98.2Very high97.7Very high2 Ų261.9 Ų61.91%0.00927%0.273CS..Hα-helixtrans-76-2.6-178.5-68.7-52.3000115.6F308 V335 L365 Y366 Y371 R375 A378 L392 P422 I424F308-F369 HydrophobicContact CD2-CE1 4.3Å; F308-F369 HydrophobicContact CD2-CZ 4.16Å; F308-F369 HydrophobicContact CE2-CE1 4.13Å; F308-F369 AromaticContact CE2-CZ 3.7Å; F308-F369 HydrophobicContact CE2-CZ 3.7Å; V335-F369 HydrophobicContact CG2-CD2 4.18Å; V335-F369 HydrophobicContact CG2-CE2 4.1Å; L365-F369 HydrophobicContact CD1-CD2 3.98Å; L365-F369 HydrophobicContact CD1-CE2 3.48Å; L365-F369 VanDerWaalsContact CD1-CE2 3.48Å; L365-F369 HydrophobicContact CD1-CZ 4.08Å; L365-F369 HydrophobicContact CD2-CE2 4.13Å; L365-F369 HydrophobicContact CG-CD2 3.91Å; L365-F369 HydrophobicContact CG-CE2 3.64Å; L365-F369 WeakPolarHBondContact O-CD2 3.35Å; L365-F369 PolarHBondContact O-N 3.05Å; Y366-F369 PolarHBondContact O-N 3.38Å; F369-Y371 PolarHBondContact O-N 3.5Å; F369-R375 HydrophobicContact CB-CG 4.28Å; F369-R375 HydrophobicContact CD1-CG 3.88Å; F369-A378 HydrophobicContact CE1-CB 3.87Å; F369-L392 HydrophobicContact CD1-CD2 4.24Å; F369-L392 HydrophobicContact CE1-CD2 3.5Å; F369-L392 HydrophobicContact CZ-CD2 3.93Å; F369-P422 HydrophobicContact CB-CB 3.58Å; F369-P422 HydrophobicContact CB-CG 3.74Å; F369-P422 HydrophobicContact CD2-CB 3.92Å; F369-P422 HydrophobicContact CG-CB 4.1Å; F369-I424 HydrophobicContact CE2-CD1 3.71Å; F369-I424 HydrophobicContact CE2-CG1 3.95Å; F369-I424 HydrophobicContact CZ-CD1 3.6Å; F369-I424 HydrophobicContact CZ-CG1 3.88Å
370K96.1Very high97.9Very high135 Ų13560.9 Ų60.959%0.58727%0.271SS*.THydrogen-bonded Turntrans-58.2-32.5171.4-175.6-175.6174-173.60112.4Y366 R367 F368Y366-K370 PolarHBondContact O-N 2.93Å; Y366-K370 VanDerWaalsContact O-N 3.17Å; R367-K370 WeakPolarHBondContact O-CB 3.33Å; F368-K370 PolarHBondContact O-N 2.85Å
371Y97.4Very high98Very high138 Ų13860.3 Ų60.354%0.54127%0.269SS..SBendtrans-90.7136.8-178.5-61-89.5000110.7F369 R375F369-Y371 PolarHBondContact O-N 3.5Å; Y371-R375 PolarHBondContact O-N 3.17Å
372I97.1Very high98Very high92 Ų9254.9 Ų54.947%0.47225%0.247SC..Hα-helixtrans-66.5-46.8179.9-175162.3000111.7N374 R375 D376I372-N374 VanDerWaalsContact C-N 3.28Å; I372-N374 PolarHBondContact O-N 3.31Å; I372-R375 WeakPolarHBondContact O-CA 3.5Å; I372-R375 WeakPolarHBondContact O-CB 3.39Å; I372-R375 PolarHBondContact O-N 3.45Å; I372-D376 PolarHBondContact O-N 2.84Å; I372-D376 VanDerWaalsContact O-N 3.15Å
373E97.9Very high98Very high93 Ų9360.1 Ų60.144%0.43527%0.269SS..Hα-helixtrans-51-46.2176-44.3-50.3140.600111.9H297 R375 D376 V377H297-E373 IonicContact CE1-OE2 3.92Å; E373-R375 VanDerWaalsContact C-N 3.27Å; E373-R375 PolarHBondContact O-N 3Å; E373-D376 PolarHBondContact O-N 3.36Å; E373-D376 VanDerWaalsContact O-N 3.09Å; E373-V377 WeakPolarHBondContact O-CG2 3.31Å; E373-V377 PolarHBondContact O-N 2.87Å
374N98.6Very high98Very high26 Ų2665 Ų6514%0.13929%0.29CS..Hα-helixtrans-61-33.1178-713.6000112.9A304 F368 I372 A378A304-N374 WeakPolarHBondContact CB-OD1 3.47Å; F368-N374 HydrophobicContact CD1-CB 4.39Å; F368-N374 HydrophobicContact CD2-CB 4.41Å; F368-N374 HydrophobicContact CE1-CB 3.96Å; F368-N374 HydrophobicContact CE2-CB 4Å; F368-N374 HydrophobicContact CZ-CB 3.73Å; F368-N374 VanDerWaalsContact O-CB 3.29Å; F368-N374 WeakPolarHBondContact O-CB 3.49Å; F368-N374 PolarHBondContact O-ND2 3.02Å; I372-N374 VanDerWaalsContact C-N 3.28Å; I372-N374 PolarHBondContact O-N 3.31Å; N374-A378 VanDerWaalsContact O-CB 3.22Å; N374-A378 WeakPolarHBondContact O-CB 3.37Å; N374-A378 PolarHBondContact O-N 3.44Å
375R98.4Very high97.9Very high48 Ų4863.5 Ų63.518%0.18128%0.28CS..Hα-helixtrans-71.4-37.9175.1-64.2-178.4-55.5-162.54.1111.4F369 Y371 I372 E373 A378 K379 L392F369-R375 HydrophobicContact CB-CG 4.28Å; F369-R375 HydrophobicContact CD1-CG 3.88Å; Y371-R375 PolarHBondContact O-N 3.17Å; I372-R375 WeakPolarHBondContact O-CA 3.5Å; I372-R375 WeakPolarHBondContact O-CB 3.39Å; I372-R375 PolarHBondContact O-N 3.45Å; E373-R375 VanDerWaalsContact C-N 3.27Å; E373-R375 PolarHBondContact O-N 3Å; R375-A378 PolarHBondContact O-N 2.84Å; R375-K379 VanDerWaalsContact O-CB 3.23Å; R375-K379 WeakPolarHBondContact O-CB 3.28Å; R375-K379 PolarHBondContact O-N 3.09Å; R375-L392 HydrophobicContact CB-CB 4.35Å
376D98.2Very high97.8Very high69 Ų6966.2 Ų66.237%0.36931%0.309SS..Hα-helixtrans-78.6-29.5179.4-72.5-60.9000113I372 E373 K379 S380I372-D376 PolarHBondContact O-N 2.84Å; I372-D376 VanDerWaalsContact O-N 3.15Å; E373-D376 PolarHBondContact O-N 3.36Å; E373-D376 VanDerWaalsContact O-N 3.09Å; D376-K379 IonicContact OD1-NZ 2.71Å; D376-S380 PolarHBondContact O-N 2.82Å; D376-S380 VanDerWaalsContact O-N 3.09Å; D376-S380 PolarHBondContact O-OG 2.84Å
377V98.6Very high97.8Very high20 Ų2064.3 Ų64.312%0.12130%0.303CS..Hα-helixtrans-63.3-50.9164.2173.50000110.2N301 A304 R305 E373 K379 S380 V381N301-V377 HydrophobicContact CB-CG2 4.23Å; A304-V377 HydrophobicContact CB-CB 4.47Å; A304-V377 HydrophobicContact CB-CG1 4.2Å; R305-V377 HydrophobicContact CB-CG1 3.86Å; E373-V377 WeakPolarHBondContact O-CG2 3.31Å; E373-V377 PolarHBondContact O-N 2.87Å; V377-K379 VanDerWaalsContact C-N 3.33Å; V377-K379 PolarHBondContact O-N 2.87Å; V377-S380 WeakPolarHBondContact O-CA 3.46Å; V377-S380 WeakPolarHBondContact O-CB 3.48Å; V377-S380 PolarHBondContact O-N 3.04Å; V377-V381 PolarHBondContact O-N 2.89Å
378A98.6Very high97.6Very high0 Ų060.3 Ų60.30%029%0.29CS..Hα-helixtrans-60.3-40.2177.200000112.7F308 F368 F369 N374 R375 S380 V381 L382 L392F308-A378 HydrophobicContact CB-CB 4.42Å; F308-A378 HydrophobicContact CD1-CB 3.66Å; F308-A378 HydrophobicContact CD2-CB 3.67Å; F308-A378 HydrophobicContact CE1-CB 3.8Å; F308-A378 HydrophobicContact CE2-CB 3.84Å; F308-A378 HydrophobicContact CG-CB 3.59Å; F308-A378 HydrophobicContact CZ-CB 3.89Å; F368-A378 HydrophobicContact CE1-CB 4.21Å; F369-A378 HydrophobicContact CE1-CB 3.87Å; N374-A378 VanDerWaalsContact O-CB 3.22Å; N374-A378 WeakPolarHBondContact O-CB 3.37Å; N374-A378 PolarHBondContact O-N 3.44Å; R375-A378 PolarHBondContact O-N 2.84Å; A378-S380 PolarHBondContact O-N 2.81Å; A378-V381 PolarHBondContact O-N 2.8Å; A378-L382 VanDerWaalsContact O-CG 3.3Å; A378-L382 WeakPolarHBondContact O-CG 3.21Å; A378-L382 PolarHBondContact O-N 3.27Å; A378-L392 HydrophobicContact CB-CD2 4.13Å
379K98.6Very high97.5Very high70 Ų7065.4 Ų65.430%0.30431%0.312SS..Hα-helixtrans-58.5-34.9172.8-166.9177.2-174.8178.40112.4R375 D376 V377 K383 I390 L392R375-K379 VanDerWaalsContact O-CB 3.23Å; R375-K379 WeakPolarHBondContact O-CB 3.28Å; R375-K379 PolarHBondContact O-N 3.09Å; D376-K379 IonicContact OD1-NZ 2.71Å; V377-K379 VanDerWaalsContact C-N 3.33Å; V377-K379 PolarHBondContact O-N 2.87Å; K379-K383 VanDerWaalsContact O-CG 3.3Å; K379-K383 WeakPolarHBondContact O-CG 3.39Å; K379-K383 PolarHBondContact O-N 2.85Å; K379-I390 HydrophobicContact CG-CG2 4.02Å; K379-L392 HydrophobicContact CB-CD1 3.74Å; K379-L392 HydrophobicContact CG-CD1 4.02Å
380S98.3Very high97.4Very high39 Ų3966.4 Ų66.427%0.27332%0.318SS..Hα-helixtrans-75.3-45.5178.3-57.10000111.3D376 V377 A378 L382 K383 E384D376-S380 PolarHBondContact O-N 2.82Å; D376-S380 VanDerWaalsContact O-N 3.09Å; D376-S380 PolarHBondContact O-OG 2.84Å; V377-S380 WeakPolarHBondContact O-CA 3.46Å; V377-S380 WeakPolarHBondContact O-CB 3.48Å; V377-S380 PolarHBondContact O-N 3.04Å; A378-S380 PolarHBondContact O-N 2.81Å; S380-L382 VanDerWaalsContact C-N 3.34Å; S380-L382 PolarHBondContact O-N 2.85Å; S380-K383 WeakPolarHBondContact O-CB 3.36Å; S380-K383 PolarHBondContact O-N 2.94Å; S380-K383 VanDerWaalsContact O-N 3.12Å; S380-E384 WeakPolarHBondContact O-CG 3.14Å; S380-E384 PolarHBondContact O-N 2.9Å
381V98.5Very high97.4Very high1 Ų165.7 Ų65.71%0.00631%0.311CS..Hα-helixtrans-54.1-48.4170.6177.40000111.2R305 F308 L312 V377 A378 K383 E384 R385R305-V381 HydrophobicContact CG-CG2 4.01Å; F308-V381 HydrophobicContact CD1-CB 3.75Å; F308-V381 HydrophobicContact CD1-CG1 3.83Å; F308-V381 HydrophobicContact CD1-CG2 4.11Å; F308-V381 HydrophobicContact CE1-CB 4.03Å; F308-V381 HydrophobicContact CE1-CG1 4.02Å; L312-V381 HydrophobicContact CD2-CG1 4.03Å; V377-V381 PolarHBondContact O-N 2.89Å; A378-V381 PolarHBondContact O-N 2.8Å; V381-K383 VanDerWaalsContact C-N 3.33Å; V381-K383 PolarHBondContact O-N 2.9Å; V381-E384 PolarHBondContact O-N 3.44Å; V381-E384 VanDerWaalsContact O-N 3.14Å; V381-R385 HydrophobicContact CG1-CG 4.33Å; V381-R385 WeakPolarHBondContact O-CG 3.48Å; V381-R385 PolarHBondContact O-N 3.44Å
382L98.4Very high97.4Very high0 Ų060.5 Ų60.50%029%0.293CS..Hα-helixtrans-60.9-37.7178.9-68.8169000112.7F308 L312 A378 S380 L387 I390 L392 I424 M426F308-L382 HydrophobicContact CE1-CD1 4.42Å; F308-L382 HydrophobicContact CE1-CD2 4.07Å; F308-L382 HydrophobicContact CE1-CG 3.85Å; F308-L382 HydrophobicContact CZ-CD1 4.14Å; F308-L382 HydrophobicContact CZ-CD2 4.01Å; F308-L382 HydrophobicContact CZ-CG 3.97Å; L312-L382 HydrophobicContact CD1-CD2 3.87Å; L312-L382 HydrophobicContact CD2-CD2 4.21Å; A378-L382 VanDerWaalsContact O-CG 3.3Å; A378-L382 WeakPolarHBondContact O-CG 3.21Å; A378-L382 PolarHBondContact O-N 3.27Å; S380-L382 VanDerWaalsContact C-N 3.34Å; S380-L382 PolarHBondContact O-N 2.85Å; L382-L387 HydrophobicContact CB-CD1 4.18Å; L382-L387 HydrophobicContact CD2-CD1 3.54Å; L382-L387 HydrophobicContact CG-CD1 4.44Å; L382-L387 VanDerWaalsContact O-CB 3.28Å; L382-L387 WeakPolarHBondContact O-CB 3.31Å; L382-L387 PolarHBondContact O-N 3.4Å; L382-I390 HydrophobicContact CB-CD1 3.63Å; L382-I390 HydrophobicContact CB-CG1 4.24Å; L382-I390 HydrophobicContact CB-CG2 4.35Å; L382-I390 HydrophobicContact CD1-CG2 3.93Å; L382-L392 HydrophobicContact CD1-CD1 4.15Å; L382-L392 HydrophobicContact CD1-CD2 4.44Å; L382-I424 HydrophobicContact CD1-CG2 3.91Å; L382-M426 HydrophobicContact CD1-SD 4.47Å; L382-M426 HydrophobicContact CD2-SD 4.13Å
383K97.9Very high97.4Very high122 Ų12256.7 Ų56.753%0.5328%0.276SS..Hα-helixtrans-64.5-44.4173.1-71.7167.2-175.5172.40111.7K379 S380 V381 R385 G386 I390K379-K383 VanDerWaalsContact O-CG 3.3Å; K379-K383 WeakPolarHBondContact O-CG 3.39Å; K379-K383 PolarHBondContact O-N 2.85Å; S380-K383 WeakPolarHBondContact O-CB 3.36Å; S380-K383 PolarHBondContact O-N 2.94Å; S380-K383 VanDerWaalsContact O-N 3.12Å; V381-K383 VanDerWaalsContact C-N 3.33Å; V381-K383 PolarHBondContact O-N 2.9Å; K383-R385 VanDerWaalsContact C-N 3.31Å; K383-R385 PolarHBondContact O-N 3.38Å; K383-G386 WeakPolarHBondContact O-CA 3.23Å; K383-G386 PolarHBondContact O-N 3.33Å; K383-I390 HydrophobicContact CB-CD1 4.32Å; K383-I390 HydrophobicContact CG-CD1 3.71Å
384E97.4Very high97.3Very high116 Ų11655.4 Ų55.454%0.54227%0.271SS..Hα-helixtrans-66.2-33.9-178.8-69.4160.1-14000111.9R305 S380 V381 G386R305-E384 IonicContact CZ-OE1 3.33Å; R305-E384 IonicContact CZ-OE2 2.72Å; R305-E384 IonicContact NH1-OE1 2.97Å; R305-E384 IonicContact NH1-OE2 2.72Å; R305-E384 PolarHBondContact NH1-OE2 2.57Å; R305-E384 IonicContact NH2-OE1 3.52Å; R305-E384 PolarHBondContact NH2-OE1 3.02Å; R305-E384 IonicContact NH2-OE2 2.74Å; R305-E384 PolarHBondContact NH2-OE2 3.29Å; S380-E384 WeakPolarHBondContact O-CG 3.14Å; S380-E384 PolarHBondContact O-N 2.9Å; V381-E384 PolarHBondContact O-N 3.44Å; V381-E384 VanDerWaalsContact O-N 3.14Å; E384-G386 PolarHBondContact O-N 3.31Å
385R96.8Very high97Very high120 Ų12058.6 Ų58.645%0.45329%0.285SS..THydrogen-bonded Turntrans-73.28.5167.6-56.9-55.6-166.1101.19.6113.6D309 L312 E313 V381 K383D309-R385 IonicContact OD1-CZ 2.89Å; D309-R385 IonicContact OD1-NE 3.21Å; D309-R385 IonicContact OD1-NH2 2.86Å; D309-R385 PolarHBondContact OD1-NH2 2.96Å; L312-R385 HydrophobicContact CD2-CG 4.02Å; E313-R385 IonicContact OE1-CZ 2.94Å; E313-R385 IonicContact OE1-NH1 3.81Å; E313-R385 PolarHBondContact OE1-NH1 3.42Å; E313-R385 IonicContact OE1-NH2 3.76Å; E313-R385 PolarHBondContact OE1-NH2 3.43Å; V381-R385 HydrophobicContact CG1-CG 4.33Å; V381-R385 WeakPolarHBondContact O-CG 3.48Å; V381-R385 PolarHBondContact O-N 3.44Å; K383-R385 VanDerWaalsContact C-N 3.31Å; K383-R385 PolarHBondContact O-N 3.38Å
386G95.9Very high96.8Very high58 Ų5857.9 Ų57.960%0.59829%0.293SS*.THydrogen-bonded Turntrans878.2171.300000116.3K383 E384K383-G386 WeakPolarHBondContact O-CA 3.23Å; K383-G386 PolarHBondContact O-N 3.33Å; E384-G386 PolarHBondContact O-N 3.31Å
387L96.8Very high96.5Very high24 Ų2455 Ų5513%0.12628%0.277CS..  trans-82.4147.2-174.7-56.6167000112.4M320 L382 I390 M426 W428M320-L387 HydrophobicContact CE-CD1 3.81Å; M320-L387 HydrophobicContact CE-CD2 3.72Å; M320-L387 HydrophobicContact CE-CG 4.43Å; L382-L387 HydrophobicContact CB-CD1 4.18Å; L382-L387 HydrophobicContact CD2-CD1 3.54Å; L382-L387 HydrophobicContact CG-CD1 4.44Å; L382-L387 VanDerWaalsContact O-CB 3.28Å; L382-L387 WeakPolarHBondContact O-CB 3.31Å; L382-L387 PolarHBondContact O-N 3.4Å; L387-I390 HydrophobicContact CB-CD1 4.09Å; L387-I390 HydrophobicContact CB-CG1 4.19Å; L387-I390 VanDerWaalsContact O-CD1 3.23Å; L387-I390 WeakPolarHBondContact O-CD1 3.35Å; L387-M426 HydrophobicContact CB-CB 4.47Å; L387-M426 HydrophobicContact CD1-CB 4.4Å; L387-M426 HydrophobicContact CD1-CG 4.37Å; L387-M426 HydrophobicContact CD1-SD 4.42Å; L387-W428 HydrophobicContact CD2-CB 4.07Å
388K94.6Very high96.2Very high87 Ų8754.4 Ų54.438%0.37827%0.274SS..EExtended strand (participates in β ladder)trans-112.4170.8-178.3-70.7-174167.7-168.40111.8I390 S427 E431K388-I390 PolarHBondContact O-N 3.16Å; K388-S427 PolarHBondContact N-O 2.9Å; K388-S427 PolarHBondContact O-N 2.69Å; K388-E431 IonicContact NZ-OE2 3.49Å; K388-E431 PolarHBondContact NZ-OE2 2.89Å
389K94.6Very high95.7Very high114 Ų11454.6 Ų54.650%0.49628%0.275SS..EExtended strand (participates in β ladder)trans54.824.4175.1-57.6175.3178.3173.60114.2R391 E429K389-R391 PolarHBondContact O-N 2.78Å; K389-E429 IonicContact NZ-OE2 2.69Å; K389-E429 PolarHBondContact NZ-OE2 3.15Å
390I97.3Very high95.2Very high23 Ų2356.5 Ų56.512%0.11828%0.281CS..EExtended strand (participates in β ladder)trans-67.3118.5-168.8-58157.2000111.8K379 L382 K383 L387 K388 L392 R425 M426K379-I390 HydrophobicContact CG-CG2 4.02Å; L382-I390 HydrophobicContact CB-CD1 3.63Å; L382-I390 HydrophobicContact CB-CG1 4.24Å; L382-I390 HydrophobicContact CB-CG2 4.35Å; L382-I390 HydrophobicContact CD1-CG2 3.93Å; K383-I390 HydrophobicContact CB-CD1 4.32Å; K383-I390 HydrophobicContact CG-CD1 3.71Å; L387-I390 HydrophobicContact CB-CD1 4.09Å; L387-I390 HydrophobicContact CB-CG1 4.19Å; L387-I390 VanDerWaalsContact O-CD1 3.23Å; L387-I390 WeakPolarHBondContact O-CD1 3.35Å; K388-I390 PolarHBondContact O-N 3.16Å; I390-L392 HydrophobicContact CG2-CD1 3.5Å; I390-R425 CarbonylContact C-O 3.56Å; I390-R425 VanDerWaalsContact CA-O 3.31Å; I390-R425 WeakPolarHBondContact CA-O 3.4Å; I390-M426 HydrophobicContact CG1-CB 4.27Å
391R96.6Very high94.8Very high120 Ų12057.1 Ų57.145%0.45328%0.279SS..EExtended strand (participates in β ladder)trans-119.7128.9167.9-71.1173.356.4-169.7-6.8109.1K389 E395 F423 R425K389-R391 PolarHBondContact O-N 2.78Å; R391-E395 IonicContact NH2-OE1 2.64Å; R391-E395 PolarHBondContact NH2-OE1 2.92Å; R391-F423 HydrophobicContact CB-CE2 3.92Å; R391-F423 HydrophobicContact CB-CZ 4.42Å; R391-R425 HydrophobicContact CB-CB 4.39Å; R391-R425 PolarHBondContact N-O 2.93Å; R391-R425 PolarHBondContact O-N 2.59Å
392L97.3Very high94.2Very high29 Ų2961.5 Ų61.515%0.15230%0.299CS..EExtended strand (participates in β ladder)trans-125146.1163-59.194.3000108.1F369 R375 A378 K379 L382 I390 F423 I424F369-L392 HydrophobicContact CD1-CD2 4.24Å; F369-L392 HydrophobicContact CE1-CD2 3.5Å; F369-L392 HydrophobicContact CZ-CD2 3.93Å; R375-L392 HydrophobicContact CB-CB 4.35Å; A378-L392 HydrophobicContact CB-CD2 4.13Å; K379-L392 HydrophobicContact CB-CD1 3.74Å; K379-L392 HydrophobicContact CG-CD1 4.02Å; L382-L392 HydrophobicContact CD1-CD1 4.15Å; L382-L392 HydrophobicContact CD1-CD2 4.44Å; I390-L392 HydrophobicContact CG2-CD1 3.5Å; L392-F423 WeakPolarHBondContact CA-O 3.2Å; L392-I424 HydrophobicContact CD2-CG1 4.24Å; L392-I424 HydrophobicContact CD2-CG2 4.14Å; L392-I424 HydrophobicContact CG-CG2 4.13Å
393G96.3Very high93.5Very high12 Ų1266.7 Ų66.712%0.12432%0.322CS..EExtended strand (participates in β ladder)trans-171.1-161.3179.400000111.3P422 F423G393-P422 VanDerWaalsContact O-CA 3.3Å; G393-P422 WeakPolarHBondContact O-CA 3.42Å; G393-F423 PolarHBondContact N-O 2.81Å; G393-F423 PolarHBondContact O-N 2.78Å
394I95.7Very high92.9Very high65 Ų6563.2 Ų63.233%0.33331%0.311SS..EExtended strand (participates in β ladder)trans-131.4122.3168.6-65.8169.2000105.3Q420 R421 P422I394-Q420 HydrophobicContact CG2-CB 3.86Å; I394-R421 WeakPolarHBondContact CA-O 3.44Å; I394-P422 HydrophobicContact CG1-CG 4.34Å
395E92.6Very high92.2Very high93 Ų9361.9 Ų61.944%0.43530%0.303SS..EExtended strand (participates in β ladder)trans-128.1166.6-179.5-80.5174.5-155.500109.5R391 Y397 R421 F423R391-E395 IonicContact NH2-OE1 2.64Å; R391-E395 PolarHBondContact NH2-OE1 2.92Å; E395-Y397 PolarHBondContact O-N 2.52Å; E395-R421 PolarHBondContact N-O 3.13Å; E395-R421 PolarHBondContact O-N 3.24Å; E395-F423 HydrophobicContact CB-CD1 3.96Å; E395-F423 HydrophobicContact CB-CE1 4.11Å; E395-F423 HydrophobicContact CG-CD1 3.94Å; E395-F423 HydrophobicContact CG-CE1 3.54Å; E395-F423 HydrophobicContact CG-CZ 4.36Å; E395-F423 WeakPolarHBondContact OE1-CE1 3.4Å; E395-F423 WeakPolarHBondContact OE1-CZ 3.47Å
396G93.1Very high91.4Very high34 Ų3463.1 Ų63.135%0.35131%0.312SS..EExtended strand (participates in β ladder)trans-82.9114.3-179.800000111.4Y418G396-Y418 WeakPolarHBondContact O-CD1 3.44Å
397Y92.6Very high90.7Very high9 Ų966.9 Ų66.94%0.03531%0.308CS..EExtended strand (participates in β ladder)trans-98.1131.1177.7-167.5-100.1000111.6V334 L336 V342 W344 M352 I359 E395 Y418 V419V334-Y397 HydrophobicContact CB-CD2 4.09Å; V334-Y397 HydrophobicContact CB-CE2 4.03Å; V334-Y397 HydrophobicContact CG1-CD2 3.67Å; V334-Y397 HydrophobicContact CG1-CE2 4.02Å; V334-Y397 HydrophobicContact CG1-CG 3.95Å; V334-Y397 HydrophobicContact CG2-CD2 3.78Å; V334-Y397 HydrophobicContact CG2-CE2 3.8Å; L336-Y397 HydrophobicContact CD1-CE1 4.34Å; L336-Y397 HydrophobicContact CD2-CD1 4.03Å; L336-Y397 HydrophobicContact CD2-CE1 4.4Å; V342-Y397 HydrophobicContact CG1-CE1 4.34Å; V342-Y397 HydrophobicContact CG2-CE1 4.08Å; W344-Y397 HydrophobicContact CZ2-CE1 4.04Å; W344-Y397 HydrophobicContact CZ2-CE2 4.43Å; W344-Y397 AromaticContact CZ2-CZ 3.7Å; W344-Y397 VanDerWaalsContact CZ2-OH 3.31Å; W344-Y397 WeakPolarHBondContact CZ2-OH 3.43Å; M352-Y397 HydrophobicContact CE-CD2 4.3Å; M352-Y397 HydrophobicContact CE-CE2 3.66Å; I359-Y397 VanDerWaalsContact CD1-OH 3.28Å; I359-Y397 WeakPolarHBondContact CD1-OH 3.18Å; E395-Y397 PolarHBondContact O-N 2.52Å; Y397-Y418 WeakPolarHBondContact O-CA 3.5Å; Y397-V419 PolarHBondContact N-O 2.81Å; Y397-V419 PolarHBondContact O-N 2.93Å
398P92.3Very high89.8Confident7 Ų772.3 Ų72.35%0.04535%0.345CS..EExtended strand (participates in β ladder)trans-73.4128.4179.629.2-32.3000111W344 P350 M352 Y416 N417 Y418W344-P398 HydrophobicContact CZ2-CG 4.28Å; W344-P398 PolarHBondContact NE1-O 3.24Å; P350-P398 HydrophobicContact CB-CB 3.83Å; P350-P398 HydrophobicContact CB-CG 3.74Å; P350-P398 HydrophobicContact CG-CB 4.24Å; P350-P398 HydrophobicContact CG-CG 3.93Å; M352-P398 HydrophobicContact SD-CG 3.59Å; M352-P398 VanDerWaalsContact SD-CG 3.59Å; P398-Y416 HydrophobicContact CB-CD1 4.16Å; P398-Y416 HydrophobicContact CB-CG 4.24Å; P398-N417 WeakPolarHBondContact CA-O 3.31Å; P398-Y418 HydrophobicContact CB-CD1 4.18Å; P398-Y418 HydrophobicContact CB-CE1 3.77Å; P398-Y418 HydrophobicContact CG-CE1 4.22Å
399T89.1Confident88.9Confident4 Ų472.6 Ų72.63%0.02537%0.372CS..EExtended strand (participates in β ladder)trans-103.1-67.7-179.339.80000111.9D343 N417 V419D343-T399 CarbonylContact C-O 3.57Å; D343-T399 PolarHBondContact N-O 3.01Å; T399-N417 PolarHBondContact N-O 3.07Å; T399-N417 PolarHBondContact OG1-ND2 2.78Å; T399-N417 PolarHBondContact OG1-O 3.09Å; T399-V419 HydrophobicContact CG2-CB 4.43Å; T399-V419 HydrophobicContact CG2-CG1 4.05Å; T399-V419 HydrophobicContact CG2-CG2 3.51Å
400Y87.8Confident88.1Confident109 Ų10970 Ų7043%0.42737%0.368SS..EExtended strand (participates in β ladder)trans-134.9155.8-178.361.4-95.8000112.3D343 E402 Y416 N417D343-Y400 WeakPolarHBondContact O-CA 3.44Å; Y400-E402 HydrophobicContact CE2-CG 4.34Å; Y400-E402 PolarHBondContact O-N 2.8Å; Y400-Y416 VanDerWaalsContact C-CD1 3.41Å; Y400-Y416 CarbonylContact O-C 3.51Å; Y400-Y416 WeakPolarHBondContact O-CA 3.48Å; Y400-Y416 WeakPolarHBondContact O-CD1 3.26Å; Y400-N417 HydrophobicContact CD1-CB 4.23Å; Y400-N417 HydrophobicContact CD2-CB 4.13Å; Y400-N417 HydrophobicContact CE1-CB 3.86Å; Y400-N417 VanDerWaalsContact CE1-ND2 3.32Å; Y400-N417 WeakPolarHBondContact CE1-ND2 3.34Å; Y400-N417 HydrophobicContact CE2-CB 3.73Å; Y400-N417 HydrophobicContact CG-CB 4.35Å; Y400-N417 PolarHBondContact O-N 3.4Å
401K88.6Confident87.2Confident53 Ų5379.7 Ų79.723%0.2340%0.403CS..EExtended strand (participates in β ladder)trans-75.8112.1179.3175.9178.1169.2-171.60110.3D345 V414 Y416D345-K401 HydrophobicContact CB-CB 4.19Å; D345-K401 HydrophobicContact CB-CD 3.36Å; D345-K401 HydrophobicContact CB-CG 4.44Å; D345-K401 IonicContact OD1-NZ 3.04Å; D345-K401 PolarHBondContact OD1-NZ 2.61Å; D345-K401 WeakPolarHBondContact OD2-CD 3.33Å; D345-K401 IonicContact OD2-NZ 2.75Å; D345-K401 PolarHBondContact OD2-NZ 3.15Å; K401-V414 HydrophobicContact CD-CG1 4.22Å; K401-V414 HydrophobicContact CG-CG1 4.04Å; K401-Y416 HydrophobicContact CB-CD1 4.41Å; K401-Y416 HydrophobicContact CB-CE1 3.94Å
402E86.1Confident86.4Confident92 Ų9276.4 Ų76.443%0.4340%0.397SS..EExtended strand (participates in β ladder)trans-74.5-49.1177.2-66.7-173.7156.500112.4Y400 I415 N417Y400-E402 HydrophobicContact CE2-CG 4.34Å; Y400-E402 PolarHBondContact O-N 2.8Å; E402-I415 WeakPolarHBondContact CB-O 3.5Å; E402-I415 PolarHBondContact N-O 2.73Å; E402-I415 WeakPolarHBondContact OE2-CG2 3.08Å; E402-N417 HydrophobicContact CG-CB 4.03Å
403K85.3Confident85.7Confident110 Ų11078.5 Ų78.548%0.47841%0.406SS..EExtended strand (participates in β ladder)trans-165.1148.9-167.554.2-175.2170.3-79.90113.1I415K403-I415 HydrophobicContact CD-CD1 4.34Å; K403-I415 HydrophobicContact CG-CB 3.89Å; K403-I415 HydrophobicContact CG-CD1 4.14Å; K403-I415 HydrophobicContact CG-CG1 4.47Å; K403-I415 HydrophobicContact CG-CG2 4.37Å; K403-I415 PolarHBondContact N-O 3.19Å; K403-I415 PolarHBondContact O-N 3.23Å
404V84Confident85.3Confident49 Ų4979.9 Ų79.930%0.29741%0.412SS..EExtended strand (participates in β ladder)trans-107.6108.7170.7-173.70000109.6K406 P412 V414V404-K406 HydrophobicContact CG1-CG 4.09Å; V404-K406 PolarHBondContact O-N 3.13Å; V404-P412 HydrophobicContact CG1-CB 3.6Å; V404-V414 HydrophobicContact CG1-CG2 4.12Å; V404-V414 HydrophobicContact CG2-CG2 4.2Å
405K82.8Confident84.9Confident87 Ų8779 Ų7938%0.37841%0.408SS..EExtended strand (participates in β ladder)trans-91.994.5-178.8178.4177165-154.20109.6E413 I415K405-E413 HydrophobicContact CB-CB 4.15Å; K405-E413 WeakPolarHBondContact CB-O 3.27Å; K405-E413 WeakPolarHBondContact CD-OE2 3.19Å; K405-E413 VanDerWaalsContact CE-OE2 3.26Å; K405-E413 WeakPolarHBondContact CE-OE2 3.42Å; K405-E413 PolarHBondContact N-O 2.89Å; K405-E413 IonicContact NZ-OE1 2.87Å; K405-E413 PolarHBondContact NZ-OE1 2.82Å; K405-E413 IonicContact NZ-OE2 3.15Å; K405-E413 PolarHBondContact NZ-OE2 2.75Å; K405-E413 VanDerWaalsContact NZ-OE2 3.15Å; K405-E413 WeakPolarHBondContact O-CB 3.42Å; K405-E413 PolarHBondContact O-N 3.34Å; K405-I415 HydrophobicContact CB-CD1 4.38Å; K405-I415 HydrophobicContact CD-CD1 4.1Å
406K79.5Confident84.8Confident146 Ų14675.1 Ų75.164%0.63539%0.389SS*.PPolyproline II helixtrans-85.3117.7174.1-62.5-174.2-179.5-178.10109.2V404 P412V404-K406 HydrophobicContact CG1-CG 4.09Å; V404-K406 PolarHBondContact O-N 3.13Å; K406-P412 HydrophobicContact CD-CG 4.44Å; K406-P412 HydrophobicContact CG-CB 4.03Å; K406-P412 HydrophobicContact CG-CG 4.26Å
407R81.2Confident84.7Confident138 Ų13875.3 Ų75.352%0.52138%0.382SS..PPolyproline II helixtrans-97.5141.4172.1-136.6176-64.1-146.87.1108.4G409 S410 E413R407-G409 PolarHBondContact O-N 2.84Å; R407-G409 VanDerWaalsContact O-N 3.09Å; R407-S410 WeakPolarHBondContact CB-OG 3.44Å; R407-S410 PolarHBondContact N-OG 2.74Å; R407-S410 PolarHBondContact O-N 2.71Å; R407-S410 PolarHBondContact O-OG 2.64Å; R407-E413 IonicContact CZ-OE2 3.78Å; R407-E413 IonicContact NH2-OE1 2.67Å; R407-E413 IonicContact NH2-OE2 2.75Å; R407-E413 PolarHBondContact NH2-OE2 3.48Å
408P77.7Confident84.7Confident138 Ų13880.8 Ų80.890%0.89640%0.404SS*.THydrogen-bonded Turntrans-56.2119.5179.9-26.935.7000111.5
409G76.1Confident84.8Confident93 Ų9381.8 Ų81.896%0.95941%0.409SS*.THydrogen-bonded Turntrans80.30.6-17800000116.5R407R407-G409 PolarHBondContact O-N 2.84Å; R407-G409 VanDerWaalsContact O-N 3.09Å
410S77.8Confident85.1Confident58 Ų5886.9 Ų86.941%0.40643%0.433SS..SBendtrans-97.8161.5172.782.20000112.3R407R407-S410 WeakPolarHBondContact CB-OG 3.44Å; R407-S410 PolarHBondContact N-OG 2.74Å; R407-S410 PolarHBondContact O-N 2.71Å; R407-S410 PolarHBondContact O-OG 2.64Å
411R78.7Confident85.5Confident228 Ų22883.2 Ų83.286%0.8642%0.418SS*.PPolyproline II helixtrans-59.5153.6158.7-71.6-174.6175.7-174.9-2.4109.9E413R411-E413 PolarHBondContact O-N 2.65Å
412P79.9Confident86Confident50 Ų5080.7 Ų80.733%0.32541%0.408SS..PPolyproline II helixtrans-60.8130.2173.1-20.633.1000111.6Y348 V404 K406Y348-P412 HydrophobicContact CE1-CB 4.26Å; Y348-P412 HydrophobicContact CE1-CG 4.27Å; V404-P412 HydrophobicContact CG1-CB 3.6Å; K406-P412 HydrophobicContact CD-CG 4.44Å; K406-P412 HydrophobicContact CG-CB 4.03Å; K406-P412 HydrophobicContact CG-CG 4.26Å
413E83.1Confident86.4Confident73 Ų7376.9 Ų76.934%0.34139%0.389SS..EExtended strand (participates in β ladder)trans-95.3105.5175-178.6-173.616400107.5K405 R407 R411K405-E413 HydrophobicContact CB-CB 4.15Å; K405-E413 WeakPolarHBondContact CB-O 3.27Å; K405-E413 WeakPolarHBondContact CD-OE2 3.19Å; K405-E413 VanDerWaalsContact CE-OE2 3.26Å; K405-E413 WeakPolarHBondContact CE-OE2 3.42Å; K405-E413 PolarHBondContact N-O 2.89Å; K405-E413 IonicContact NZ-OE1 2.87Å; K405-E413 PolarHBondContact NZ-OE1 2.82Å; K405-E413 IonicContact NZ-OE2 3.15Å; K405-E413 PolarHBondContact NZ-OE2 2.75Å; K405-E413 VanDerWaalsContact NZ-OE2 3.15Å; K405-E413 WeakPolarHBondContact O-CB 3.42Å; K405-E413 PolarHBondContact O-N 3.34Å; R407-E413 IonicContact CZ-OE2 3.78Å; R407-E413 IonicContact NH2-OE1 2.67Å; R407-E413 IonicContact NH2-OE2 2.75Å; R407-E413 PolarHBondContact NH2-OE2 3.48Å; R411-E413 PolarHBondContact O-N 2.65Å
414V86.6Confident87Confident42 Ų4271.6 Ų71.626%0.25537%0.367SS..EExtended strand (participates in β ladder)trans-94.3129.6-175-177.40000109.3Y348 K401 V404 Y416Y348-V414 HydrophobicContact CD1-CG2 3.61Å; Y348-V414 HydrophobicContact CD2-CG2 4.48Å; Y348-V414 HydrophobicContact CE1-CG2 4.36Å; Y348-V414 HydrophobicContact CG-CG2 3.7Å; K401-V414 HydrophobicContact CD-CG1 4.22Å; K401-V414 HydrophobicContact CG-CG1 4.04Å; V404-V414 HydrophobicContact CG1-CG2 4.12Å; V404-V414 HydrophobicContact CG2-CG2 4.2Å; V414-Y416 HydrophobicContact CG1-CD2 4.17Å; V414-Y416 HydrophobicContact CG1-CE2 3.76Å
415I88.1Confident87.6Confident45 Ų4571.3 Ų71.323%0.23136%0.36CS..EExtended strand (participates in β ladder)trans-116.8123.5-173.5-61.4172.7000108.4E402 K403 K405E402-I415 WeakPolarHBondContact CB-O 3.5Å; E402-I415 PolarHBondContact N-O 2.73Å; E402-I415 WeakPolarHBondContact OE2-CG2 3.08Å; K403-I415 HydrophobicContact CD-CD1 4.34Å; K403-I415 HydrophobicContact CG-CB 3.89Å; K403-I415 HydrophobicContact CG-CD1 4.14Å; K403-I415 HydrophobicContact CG-CG1 4.47Å; K403-I415 HydrophobicContact CG-CG2 4.37Å; K403-I415 PolarHBondContact N-O 3.19Å; K403-I415 PolarHBondContact O-N 3.23Å; K405-I415 HydrophobicContact CB-CD1 4.38Å; K405-I415 HydrophobicContact CD-CD1 4.1Å
416Y90.5Very high88.2Confident13 Ų1367.2 Ų67.25%0.05134%0.342CS..EExtended strand (participates in β ladder)trans-102.7151.1177.7-85.1-91.9000111D345 Y348 P350 P398 Y400 K401 V414 Y418D345-Y416 PolarHBondContact N-OH 3.43Å; Y348-Y416 WeakPolarHBondContact O-CE2 3.39Å; Y348-Y416 PolarHBondContact O-OH 2.62Å; P350-Y416 HydrophobicContact CB-CD1 4.36Å; P350-Y416 HydrophobicContact CB-CD2 4.04Å; P350-Y416 HydrophobicContact CB-CE1 4.25Å; P350-Y416 HydrophobicContact CB-CE2 3.91Å; P350-Y416 HydrophobicContact CB-CG 4.28Å; P350-Y416 WeakPolarHBondContact CD-OH 3.49Å; P350-Y416 HydrophobicContact CG-CE1 4.32Å; P398-Y416 HydrophobicContact CB-CD1 4.16Å; P398-Y416 HydrophobicContact CB-CG 4.24Å; Y400-Y416 VanDerWaalsContact C-CD1 3.41Å; Y400-Y416 CarbonylContact O-C 3.51Å; Y400-Y416 WeakPolarHBondContact O-CA 3.48Å; Y400-Y416 WeakPolarHBondContact O-CD1 3.26Å; K401-Y416 HydrophobicContact CB-CD1 4.41Å; K401-Y416 HydrophobicContact CB-CE1 3.94Å; V414-Y416 HydrophobicContact CG1-CD2 4.17Å; V414-Y416 HydrophobicContact CG1-CE2 3.76Å; Y416-Y418 WeakPolarHBondContact O-CD2 3.43Å; Y416-Y418 WeakPolarHBondContact O-CE2 3.36Å
417N91.2Very high88.9Confident38 Ų3860.3 Ų60.320%0.20331%0.312CS..EExtended strand (participates in β ladder)trans-78134.3165.3174.857.6000109.5P398 T399 Y400 E402P398-N417 WeakPolarHBondContact CA-O 3.31Å; T399-N417 PolarHBondContact N-O 3.07Å; T399-N417 PolarHBondContact OG1-ND2 2.78Å; T399-N417 PolarHBondContact OG1-O 3.09Å; Y400-N417 HydrophobicContact CD1-CB 4.23Å; Y400-N417 HydrophobicContact CD2-CB 4.13Å; Y400-N417 HydrophobicContact CE1-CB 3.86Å; Y400-N417 VanDerWaalsContact CE1-ND2 3.32Å; Y400-N417 WeakPolarHBondContact CE1-ND2 3.34Å; Y400-N417 HydrophobicContact CE2-CB 3.73Å; Y400-N417 HydrophobicContact CG-CB 4.35Å; Y400-N417 PolarHBondContact O-N 3.4Å; E402-N417 HydrophobicContact CG-CB 4.03Å
418Y92.7Very high89.6Confident124 Ų12456.8 Ų56.849%0.48630%0.299SS..EExtended strand (participates in β ladder)trans-117.9124.1-176.6-73.9-91.6000111.7G396 Y397 P398 Y416G396-Y418 WeakPolarHBondContact O-CD1 3.44Å; Y397-Y418 WeakPolarHBondContact O-CA 3.5Å; P398-Y418 HydrophobicContact CB-CD1 4.18Å; P398-Y418 HydrophobicContact CB-CE1 3.77Å; P398-Y418 HydrophobicContact CG-CE1 4.22Å; Y416-Y418 WeakPolarHBondContact O-CD2 3.43Å; Y416-Y418 WeakPolarHBondContact O-CE2 3.36Å
419V93.9Very high90.2Very high27 Ų2754 Ų5416%0.16427%0.274CS..EExtended strand (participates in β ladder)trans-103.3137.4175.2-670000110.7Y397 T399 R421Y397-V419 PolarHBondContact N-O 2.81Å; Y397-V419 PolarHBondContact O-N 2.93Å; T399-V419 HydrophobicContact CG2-CB 4.43Å; T399-V419 HydrophobicContact CG2-CG1 4.05Å; T399-V419 HydrophobicContact CG2-CG2 3.51Å; V419-R421 HydrophobicContact CB-CG 4.31Å; V419-R421 HydrophobicContact CG2-CG 3.67Å; V419-R421 PolarHBondContact O-N 3.23Å
420Q95.8Very high90.7Very high111 Ų11157.2 Ų57.252%0.51926%0.262SS..EExtended strand (participates in β ladder)trans-75.5113.7177.6-69-62.6-51.700109.8I394I394-Q420 HydrophobicContact CG2-CB 3.86Å
421R96.3Very high90.3Very high32 Ų3260.4 Ų60.412%0.12127%0.27CS..EExtended strand (participates in β ladder)trans-133.6141.3-172.2-67.9-68.5176.9-96.310.6112V334 V335 L336 D340 I394 E395 V419V334-R421 HydrophobicContact CG1-CB 4.04Å; V335-R421 WeakPolarHBondContact O-CD 3.31Å; L336-R421 HydrophobicContact CD2-CB 4.29Å; L336-R421 HydrophobicContact CD2-CG 3.68Å; D340-R421 IonicContact OD1-CZ 3.34Å; D340-R421 IonicContact OD1-NE 3.52Å; D340-R421 PolarHBondContact OD1-NE 3.2Å; D340-R421 IonicContact OD1-NH2 3.8Å; D340-R421 PolarHBondContact OD1-NH2 2.98Å; D340-R421 IonicContact OD2-CZ 2.8Å; D340-R421 VanDerWaalsContact OD2-CZ 3.24Å; D340-R421 IonicContact OD2-NE 3.09Å; D340-R421 PolarHBondContact OD2-NE 2.94Å; D340-R421 IonicContact OD2-NH2 3.85Å; D340-R421 PolarHBondContact OD2-NH2 2.67Å; I394-R421 WeakPolarHBondContact CA-O 3.44Å; E395-R421 PolarHBondContact N-O 3.13Å; E395-R421 PolarHBondContact O-N 3.24Å; V419-R421 HydrophobicContact CB-CG 4.31Å; V419-R421 HydrophobicContact CG2-CG 3.67Å; V419-R421 PolarHBondContact O-N 3.23Å
422P97.8Very high89.2Confident1 Ų155 Ų551%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-61.9144.3173.2-20.732.5000111.5V335 Y366 F369 G393 I394V335-P422 HydrophobicContact CB-CB 4.24Å; V335-P422 PolarHBondContact N-O 3.48Å; Y366-P422 VanDerWaalsContact CD2-CD 3.45Å; Y366-P422 HydrophobicContact CD2-CG 3.95Å; Y366-P422 HydrophobicContact CE2-CG 4.41Å; F369-P422 HydrophobicContact CB-CB 3.58Å; F369-P422 HydrophobicContact CB-CG 3.74Å; F369-P422 HydrophobicContact CD2-CB 3.92Å; F369-P422 HydrophobicContact CG-CB 4.1Å; G393-P422 VanDerWaalsContact O-CA 3.3Å; G393-P422 WeakPolarHBondContact O-CA 3.42Å; I394-P422 HydrophobicContact CG1-CG 4.34Å
423F96.4Very high87.9Confident11 Ų1156.6 Ų56.65%0.04828%0.28CS..EExtended strand (participates in β ladder)trans-131.4155.2171.376.1-84.3000110.8H332 V333 V334 R391 L392 G393 E395H332-F423 AromaticContact NE2-CD2 3.51Å; H332-F423 AromaticContact NE2-CG 3.83Å; V333-F423 CarbonylContact O-C 3.58Å; V333-F423 WeakPolarHBondContact O-CA 3.43Å; V334-F423 HydrophobicContact CG2-CB 4.35Å; R391-F423 HydrophobicContact CB-CE2 3.92Å; R391-F423 HydrophobicContact CB-CZ 4.42Å; L392-F423 WeakPolarHBondContact CA-O 3.2Å; G393-F423 PolarHBondContact N-O 2.81Å; G393-F423 PolarHBondContact O-N 2.78Å; E395-F423 HydrophobicContact CB-CD1 3.96Å; E395-F423 HydrophobicContact CB-CE1 4.11Å; E395-F423 HydrophobicContact CG-CD1 3.94Å; E395-F423 HydrophobicContact CG-CE1 3.54Å; E395-F423 HydrophobicContact CG-CZ 4.36Å; E395-F423 WeakPolarHBondContact OE1-CE1 3.4Å; E395-F423 WeakPolarHBondContact OE1-CZ 3.47Å
424I97.1Very high86.5Confident0 Ų062 Ų620%030%0.303CS..EExtended strand (participates in β ladder)trans-128.4118.7173-40.4173.3000106.9V316 H332 V333 F369 L382 L392 M426V316-I424 HydrophobicContact CG1-CD1 4.34Å; V316-I424 HydrophobicContact CG2-CD1 3.88Å; H332-I424 WeakPolarHBondContact CA-O 3.42Å; V333-I424 HydrophobicContact CB-CB 4.41Å; V333-I424 PolarHBondContact N-O 2.99Å; V333-I424 PolarHBondContact O-N 2.87Å; F369-I424 HydrophobicContact CE2-CD1 3.71Å; F369-I424 HydrophobicContact CE2-CG1 3.95Å; F369-I424 HydrophobicContact CZ-CD1 3.6Å; F369-I424 HydrophobicContact CZ-CG1 3.88Å; L382-I424 HydrophobicContact CD1-CG2 3.91Å; L392-I424 HydrophobicContact CD2-CG1 4.24Å; L392-I424 HydrophobicContact CD2-CG2 4.14Å; L392-I424 HydrophobicContact CG-CG2 4.13Å; I424-M426 HydrophobicContact CB-CE 4.36Å; I424-M426 HydrophobicContact CG2-CE 3.97Å; I424-M426 HydrophobicContact CG2-SD 3.63Å
425R95.6Very high84.9Confident43 Ų4364.5 Ų64.516%0.16232%0.322CS..EExtended strand (participates in β ladder)trans-115.3135.2164.6179.4178174.8172.410.1109.5E330 C331 E355 I390 R391E330-R425 IonicContact OE1-CZ 2.59Å; E330-R425 IonicContact OE1-NH2 3.83Å; E330-R425 PolarHBondContact OE1-NH2 3.06Å; E330-R425 IonicContact OE2-CZ 3.69Å; E330-R425 IonicContact OE2-NE 3.09Å; E330-R425 PolarHBondContact OE2-NE 2.83Å; E330-R425 IonicContact OE2-NH2 3.99Å; E330-R425 PolarHBondContact OE2-NH2 3.38Å; C331-R425 WeakPolarHBondContact O-CA 3.4Å; E355-R425 IonicContact OE1-CZ 2.72Å; E355-R425 IonicContact OE1-NH1 3.62Å; E355-R425 PolarHBondContact OE1-NH1 3.23Å; E355-R425 IonicContact OE1-NH2 2.79Å; E355-R425 PolarHBondContact OE1-NH2 3.44Å; E355-R425 IonicContact OE2-CZ 2.62Å; E355-R425 IonicContact OE2-NE 2.81Å; E355-R425 PolarHBondContact OE2-NE 2.94Å; E355-R425 IonicContact OE2-NH1 3.88Å; E355-R425 PolarHBondContact OE2-NH1 3.48Å; E355-R425 IonicContact OE2-NH2 3.09Å; I390-R425 CarbonylContact C-O 3.56Å; I390-R425 VanDerWaalsContact CA-O 3.31Å; I390-R425 WeakPolarHBondContact CA-O 3.4Å; R391-R425 HydrophobicContact CB-CB 4.39Å; R391-R425 PolarHBondContact N-O 2.93Å; R391-R425 PolarHBondContact O-N 2.59Å
426M96.1Very high83.5Confident0 Ų072.8 Ų72.80%035%0.35CS..EExtended strand (participates in β ladder)trans-154.4154.5-178.559.8-136.8143.400110.7V316 M320 E330 C331 V333 L382 L387 I390 I424V316-M426 HydrophobicContact CG1-CE 3.65Å; V316-M426 HydrophobicContact CG1-SD 4.28Å; M320-M426 HydrophobicContact CE-CG 4.46Å; M320-M426 HydrophobicContact CG-CE 3.86Å; M320-M426 HydrophobicContact SD-CE 3.83Å; M320-M426 HydrophobicContact SD-CG 4.38Å; M320-M426 HydrophobicContact SD-SD 3.82Å; E330-M426 CarbonylContact C-O 3.59Å; E330-M426 VanDerWaalsContact CA-O 3.26Å; E330-M426 WeakPolarHBondContact CA-O 3.22Å; E330-M426 VanDerWaalsContact CB-O 3.31Å; E330-M426 WeakPolarHBondContact CB-O 3.43Å; C331-M426 HydrophobicContact CB-CE 4.05Å; C331-M426 PolarHBondContact N-O 3.34Å; C331-M426 PolarHBondContact O-N 3.31Å; C331-M426 VanDerWaalsContact O-N 3.09Å; V333-M426 HydrophobicContact CG2-CE 3.83Å; L382-M426 HydrophobicContact CD1-SD 4.47Å; L382-M426 HydrophobicContact CD2-SD 4.13Å; L387-M426 HydrophobicContact CB-CB 4.47Å; L387-M426 HydrophobicContact CD1-CB 4.4Å; L387-M426 HydrophobicContact CD1-CG 4.37Å; L387-M426 HydrophobicContact CD1-SD 4.42Å; I390-M426 HydrophobicContact CG1-CB 4.27Å; I424-M426 HydrophobicContact CB-CE 4.36Å; I424-M426 HydrophobicContact CG2-CE 3.97Å; I424-M426 HydrophobicContact CG2-SD 3.63Å
427S94.9Very high81.9Confident1 Ų180.4 Ų80.41%0.00739%0.386CS..EExtended strand (participates in β ladder)trans-129.5137.6-179.6179.70000111.6R329 K388 E429R329-S427 WeakPolarHBondContact O-CA 3.38Å; R329-S427 WeakPolarHBondContact O-CB 3.3Å; R329-S427 PolarHBondContact O-OG 2.76Å; K388-S427 PolarHBondContact N-O 2.9Å; K388-S427 PolarHBondContact O-N 2.69Å; S427-E429 WeakPolarHBondContact OG-CB 3.26Å; S427-E429 PolarHBondContact OG-N 2.75Å; S427-E429 VanDerWaalsContact OG-N 3.07Å
428W95.4Very high80.3Confident64 Ų6482.7 Ų82.724%0.24240%0.401CS..  trans-107.722.4166.657.488.4000110.8M320 A324 E328 R329 C331 L387 K430M320-W428 HydrophobicContact CB-CH2 4.43Å; M320-W428 HydrophobicContact CB-CZ3 4.11Å; M320-W428 HydrophobicContact CE-CE3 3.88Å; M320-W428 HydrophobicContact CE-CZ3 4.06Å; M320-W428 HydrophobicContact CG-CZ3 4.07Å; A324-W428 HydrophobicContact CB-CZ2 3.94Å; E328-W428 PolarHBondContact O-NE1 2.98Å; E328-W428 VanDerWaalsContact O-NE1 3.16Å; R329-W428 PolarHBondContact O-N 3.04Å; R329-W428 VanDerWaalsContact O-N 3.09Å; C331-W428 HydrophobicContact CB-CH2 3.67Å; C331-W428 HydrophobicContact CB-CZ3 3.55Å; L387-W428 HydrophobicContact CD2-CB 4.07Å; W428-K430 PolarHBondContact O-N 3.44Å
429E91.1Very high78.4Confident80 Ų8083.3 Ų83.337%0.37441%0.413SS..  trans-59.2111.9172-171.9176.5-151.100109R329 K389 S427 E431R329-E429 HydrophobicContact CB-CB 4Å; R329-E429 HydrophobicContact CB-CG 4.34Å; R329-E429 PolarHBondContact O-N 3.45Å; K389-E429 IonicContact NZ-OE2 2.69Å; K389-E429 PolarHBondContact NZ-OE2 3.15Å; S427-E429 WeakPolarHBondContact OG-CB 3.26Å; S427-E429 PolarHBondContact OG-N 2.75Å; S427-E429 VanDerWaalsContact OG-N 3.07Å; E429-E431 PolarHBondContact O-N 3.26Å
430K84.8Confident76.3Confident161 Ų16190.2 Ų90.270%0.744%0.441SS*.  trans-68.680.3164.6-170.5-159.7179-163.40107.9W428 E432W428-K430 PolarHBondContact O-N 3.44Å; K430-E432 HydrophobicContact CD-CG 3.95Å; K430-E432 WeakPolarHBondContact CE-OE1 3.19Å; K430-E432 HydrophobicContact CG-CG 4.19Å; K430-E432 IonicContact NZ-OE1 3.63Å; K430-E432 PolarHBondContact NZ-OE1 2.8Å; K430-E432 PolarHBondContact O-N 2.7Å
431E69.5Low74.4Confident125 Ų12593.3 Ų93.358%0.58446%0.455SS*.  trans-58.686.4164.7177.8-177.7-13300108.1K388 E429K388-E431 IonicContact NZ-OE2 3.49Å; K388-E431 PolarHBondContact NZ-OE2 2.89Å; E429-E431 PolarHBondContact O-N 3.26Å
432E55.8Low72.6Confident115 Ų11597 Ų9754%0.53749%0.485SS..  trans-65.9152.5168.2-60.1-164141.800109.3K430 K434K430-E432 HydrophobicContact CD-CG 3.95Å; K430-E432 WeakPolarHBondContact CE-OE1 3.19Å; K430-E432 HydrophobicContact CG-CG 4.19Å; K430-E432 IonicContact NZ-OE1 3.63Å; K430-E432 PolarHBondContact NZ-OE1 2.8Å; K430-E432 PolarHBondContact O-N 2.7Å; E432-K434 PolarHBondContact O-N 3.29Å
433G53.4Low70.4Confident83 Ų83103.3 Ų103.386%0.85652%0.523SS*.  trans-68.142.2-174.900000115.8S435G433-S435 PolarHBondContact O-N 3.09Å
434K54.6Low68.3Low186 Ų186112.2 Ų112.281%0.80956%0.562SS**  trans-65.970.8155.6-68.3-175.7-177.9177.20109E432 R436E432-K434 PolarHBondContact O-N 3.29Å; K434-R436 PolarHBondContact O-N 2.98Å
435S51.1Low66.4Low94 Ų94116.8 Ų116.866%0.65759%0.594SS**  trans-41.8128.2143.3177.80000107G433 H437G433-S435 PolarHBondContact O-N 3.09Å; S435-H437 PolarHBondContact O-N 3.42Å
436R58.6Low64.7Low220 Ų220124.3 Ų124.383%0.8363%0.628SS**  trans-68.981.2172.7-64.9-179.6-172.5150.40.9106.5K434 V438K434-R436 PolarHBondContact O-N 2.98Å; R436-V438 PolarHBondContact O-N 2.74Å
437H58.7Low62.5Low173 Ų173128.2 Ų128.280%0.80166%0.655SS**  trans-71.880.8-173-168.199.2000108.4S435S435-H437 PolarHBondContact O-N 3.42Å
438V56.3Low60.7Low86 Ų86135.2 Ų135.252%0.52169%0.691SS.*  trans23.993.3-167.1-170.60000112.1R436 F440R436-V438 PolarHBondContact O-N 2.74Å; V438-F440 HydrophobicContact CB-CD2 4.04Å; V438-F440 HydrophobicContact CB-CE2 3.78Å; V438-F440 HydrophobicContact CB-CZ 4.23Å; V438-F440 HydrophobicContact CG1-CD1 4.05Å; V438-F440 HydrophobicContact CG1-CD2 3.79Å; V438-F440 HydrophobicContact CG1-CE1 3.98Å; V438-F440 HydrophobicContact CG1-CE2 3.72Å; V438-F440 HydrophobicContact CG1-CG 3.96Å; V438-F440 HydrophobicContact CG1-CZ 3.82Å; V438-F440 VanDerWaalsContact O-CD2 3.28Å; V438-F440 WeakPolarHBondContact O-CD2 3.28Å; V438-F440 PolarHBondContact O-N 2.74Å
439D53.5Low58.5Low136 Ų136137 Ų13773%0.72771%0.709SS**  trans-56.292.5155.4-81.1-55.7000107Q441D439-Q441 PolarHBondContact O-N 2.7Å
440F49Very low56.6Low173 Ų173138.9 Ų138.976%0.75972%0.721SS**  trans-67.680.5166.3-77.2-80000105.7V438 C442V438-F440 HydrophobicContact CB-CD2 4.04Å; V438-F440 HydrophobicContact CB-CE2 3.78Å; V438-F440 HydrophobicContact CB-CZ 4.23Å; V438-F440 HydrophobicContact CG1-CD1 4.05Å; V438-F440 HydrophobicContact CG1-CD2 3.79Å; V438-F440 HydrophobicContact CG1-CE1 3.98Å; V438-F440 HydrophobicContact CG1-CE2 3.72Å; V438-F440 HydrophobicContact CG1-CG 3.96Å; V438-F440 HydrophobicContact CG1-CZ 3.82Å; V438-F440 VanDerWaalsContact O-CD2 3.28Å; V438-F440 WeakPolarHBondContact O-CD2 3.28Å; V438-F440 PolarHBondContact O-N 2.74Å; F440-C442 PolarHBondContact O-N 2.74Å
441Q55.9Low55.1Low175 Ų175137.7 Ų137.782%0.81872%0.722SS**  trans-60.288.5168.7-175.2178.547.900106D439 V443D439-Q441 PolarHBondContact O-N 2.7Å; Q441-V443 VanDerWaalsContact C-N 3.3Å; Q441-V443 PolarHBondContact O-N 2.72Å
442C59.9Low54.3Low111 Ų111135.8 Ų135.875%0.7573%0.728SS**  trans-5798.6179.9-73.70000107.4F440 K444F440-C442 PolarHBondContact O-N 2.74Å; C442-K444 PolarHBondContact O-N 2.96Å
443V50.3Low54.2Low132 Ų132133.8 Ų133.880%0.873%0.731SS**  trans-54.6113.7178.4-172.90000105.2Q441 S445Q441-V443 VanDerWaalsContact C-N 3.3Å; Q441-V443 PolarHBondContact O-N 2.72Å; V443-S445 VanDerWaalsContact C-N 3.29Å; V443-S445 PolarHBondContact O-N 2.74Å
444K53.7Low54.1Low198 Ų198133.7 Ų133.786%0.86172%0.722SS**  trans-60.294.5-174.2-91.9-177.5172.7175.60109.2C442 K446C442-K444 PolarHBondContact O-N 2.96Å; K444-K446 PolarHBondContact O-N 2.85Å
445S56Low53.9Low96 Ų96128.7 Ų128.767%0.67172%0.715SS**  trans-57.6123.9171.540.60000107V443 S447V443-S445 VanDerWaalsContact C-N 3.29Å; V443-S445 PolarHBondContact O-N 2.74Å; S445-S447 PolarHBondContact O-N 2.71Å
446K59.4Low53.8Low202 Ų202128.2 Ų128.288%0.87872%0.717SS**  trans-78.451.2179.5-67.2-176178.3178.90110.9K444 I448K444-K446 PolarHBondContact O-N 2.85Å; K446-I448 VanDerWaalsContact C-N 3.32Å; K446-I448 PolarHBondContact O-N 3.04Å
447S51.6Low53.5Low82 Ų82124.6 Ų124.657%0.57371%0.714SS**  trans-74.487.3167.653.50000108.7S445 T449S445-S447 PolarHBondContact O-N 2.71Å; S447-T449 PolarHBondContact O-N 3.26Å
448I55.8Low52.7Low148 Ų148123.1 Ų123.176%0.75971%0.711SS**  trans-73.482.2167.2-61.7178000107.2K446 N450K446-I448 VanDerWaalsContact C-N 3.32Å; K446-I448 PolarHBondContact O-N 3.04Å; I448-N450 VanDerWaalsContact C-N 3.34Å; I448-N450 PolarHBondContact O-N 2.94Å
449T50.3Low51.7Low100 Ų100124.7 Ų124.761%0.61372%0.723SS**  trans-92.969.7178.9-48.90000109.4S447 L451S447-T449 PolarHBondContact O-N 3.26Å; T449-L451 HydrophobicContact CG2-CD1 3.73Å; T449-L451 PolarHBondContact O-N 3.12Å
450N49.7Very low51Low120 Ų120127.5 Ų127.564%0.64273%0.732SS**  trans-74.974.1173.4-103.9-17.6000110I448 A452 A453I448-N450 VanDerWaalsContact C-N 3.34Å; I448-N450 PolarHBondContact O-N 2.94Å; N450-A452 PolarHBondContact O-N 3.29Å; N450-A452 VanDerWaalsContact O-N 3.12Å; N450-A453 HydrophobicContact CB-CB 4.46Å; N450-A453 WeakPolarHBondContact O-CB 3.46Å; N450-A453 PolarHBondContact O-N 3.26Å
451L53.6Low50.4Low137 Ų137126.2 Ų126.272%0.71773%0.732SS**Hα-helixtrans-55.9-30.6-178.1-136.374.4000112.4T449 A453 A454T449-L451 HydrophobicContact CG2-CD1 3.73Å; T449-L451 PolarHBondContact O-N 3.12Å; L451-A453 PolarHBondContact O-N 2.89Å; L451-A454 PolarHBondContact O-N 2.95Å
452A53.5Low49.5Very low85 Ų85127.2 Ų127.270%0.70274%0.737SS**Hα-helixtrans-62.9-22.8175.500000114.5N450N450-A452 PolarHBondContact O-N 3.29Å; N450-A452 VanDerWaalsContact O-N 3.12Å
453A54.1Low48.3Very low72 Ų72129.3 Ų129.360%0.59574%0.74SS**Hα-helixtrans-82.3-28.4178.100000112.7N450 L451 A455N450-A453 HydrophobicContact CB-CB 4.46Å; N450-A453 WeakPolarHBondContact O-CB 3.46Å; N450-A453 PolarHBondContact O-N 3.26Å; L451-A453 PolarHBondContact O-N 2.89Å; A453-A455 VanDerWaalsContact C-N 3.34Å
454A50.6Low47.6Very low82 Ų82129.5 Ų129.568%0.67874%0.741SS**Hα-helixtrans-79.4-16.3-17900000113.5L451L451-A454 PolarHBondContact O-N 2.95Å
455A49.6Very low46.6Very low81 Ų81126.3 Ų126.367%0.66973%0.734SS**THydrogen-bonded Turntrans-88.2-1.6179.500000114A453A453-A455 VanDerWaalsContact C-N 3.34Å
456A50.6Low45.5Very low84 Ų84130.1 Ų130.169%0.69474%0.743SS**SBendtrans-98.4-4.7-170.400000114.8
457D50.6Low44.1Very low143 Ų143128.6 Ų128.677%0.76574%0.739SS**  trans-130.555.6-164.6-146.60.8000112.2
458I41.8Very low43.7Very low143 Ų143130.8 Ų130.873%0.73375%0.751SS**  trans-118.3105.1170.5-60.8176.4000108.1Q460I458-Q460 PolarHBondContact O-N 3.29Å
459P36.3Very low42.4Very low119 Ų119127 Ų12777%0.77375%0.748SS**  trans-63.9126.2175.7-23.234.7000111.6D461P459-D461 PolarHBondContact O-N 3.37Å
460Q39.5Very low42Very low195 Ų195127.7 Ų127.791%0.91176%0.755SS**  trans-103.579.3-168-172.2171-6.900112.2I458I458-Q460 PolarHBondContact O-N 3.29Å
461D35.9Very low41Very low145 Ų145130.7 Ų130.778%0.77577%0.765SS**  trans-154.182.1171.4-154.7-2.1000115P459P459-D461 PolarHBondContact O-N 3.37Å
462Q36.8Very low40Very low197 Ų197130.4 Ų130.492%0.92177%0.768SS**  trans-167.8138.9136.5-112.5161.180.300113.1
463L35.7Very low39Very low154 Ų154133.9 Ų133.981%0.80678%0.775SS**  trans-97143.1-179.6-176.883.3000110.6
464V35Very low38.1Very low137 Ų137138.4 Ų138.483%0.8378%0.784SS**  trans-179.6148.5135.3143.80000111.7
465N32.8Very low37.6Very low131 Ų131141.5 Ų141.570%0.70179%0.788SS**  trans-63.1161.1-173.7-51.1-9.7000115.5
466M33.4Very low36.9Very low175 Ų175143.5 Ų143.586%0.86279%0.788SS**  -167.8151.5110.6-95.3-57.6-80.900112.5
467H28.9Very low36.1Very low171 Ų171145.7 Ų145.779%0.79279%0.786SS**  trans-118.2177.1172.2-69.4-73.1000109.2
468P42.3Very low35.4Very low127 Ų127147.3 Ų147.383%0.82579%0.789SS**  cis-125.9-168.4-627.3-3.1000113.8
469G28.6Very low35.3Very low68 Ų68146.3 Ų146.370%0.70179%0.792SS**  trans-81.5-161177.100000115.8
470P41.8Very low35.3Very low116 Ų116149.3 Ų149.375%0.75380%0.796SS**  -146.4169.977.342.8-27.5000117.7
471Q29.4Very low35.2Very low183 Ų183144.8 Ų144.886%0.85578%0.783SS**  trans16.2146.2137.7-63.8169.9-34.700120.1
472V32.4Very low35.1Very low131 Ų131142.9 Ų142.979%0.79478%0.782SS**  cis-137.6174.26.9-85.20000108.4
473D33.4Very low34.9Very low158 Ų158143.6 Ų143.685%0.84578%0.777SS**  cis-163.7176.646.6-153.7-1.8000113.4
474E34.9Very low34.7Very low167 Ų167144.6 Ų144.678%0.7878%0.777SS**  trans-114173.3-158.8-150.1171.6114.500116.6
475L39.8Very low34.8Very low146 Ų146148.9 Ų148.976%0.76478%0.78SS**  trans-34.9169.2172-63.9165000118.2
476D35Very low35Very low123 Ų123151 Ų15166%0.65879%0.786SS**  cis179.8173.2-21.5-172.915.5000108.3
477I34.8Very low35.5Very low130 Ų130148.2 Ų148.267%0.66778%0.781SS**  trans60.6118.4159.1-71.5156.3000120.9
478Q34.8Very low36.2Very low178 Ų178147.8 Ų147.883%0.83279%0.785SS**  trans24.6155.3136.3-65.3-169.8-51.400123
479P39Very low36.4Very low122 Ų122147 Ų14779%0.79278%0.78SS**  cis-141.4-16631.542.3-21.1000117.3
480Q36.1Very low37.4Very low181 Ų181151.7 Ų151.785%0.84679%0.788SS**  trans-65.5161.1179.3-70.7-173.2-25.600114.6
481P37.6Very low37.7Very low100 Ų100150.5 Ų150.565%0.64979%0.788SS**  -128.6157.6120.737.9-33.1000114.6Y483P481-Y483 HydrophobicContact CG-CE2 4.07Å
482S34.2Very low38.9Very low106 Ų106147.9 Ų147.974%0.74179%0.787SS**  trans-75.6147.7171.253.20000112.9
483Y33.1Very low39.9Very low211 Ų211147 Ų14783%0.82779%0.787SS**  trans-132.3141.4163.1-82.4-77.1000112.8P481P481-Y483 HydrophobicContact CG-CE2 4.07Å
484H31.8Very low40.6Very low175 Ų175145.6 Ų145.681%0.8179%0.787SS**  trans-66.9155.5172.5-90-120000111.8
485Y36.3Very low41.4Very low227 Ų227142.6 Ų142.689%0.8979%0.79SS**  trans-105.6128.2151-111-94.5000108
486E36.3Very low41.8Very low177 Ų177146.1 Ų146.183%0.82782%0.817SS**PPolyproline II helixtrans-94.1145156.3-80.6-160.4115.300109.4
487P44.5Very low42.1Very low116 Ų116147.3 Ų147.375%0.75383%0.825SS**PPolyproline II helixtrans-89.2135.5169.434.2-30.5000111.5
488D43.2Very low42.5Very low162 Ų162148.2 Ų148.287%0.86683%0.833SS**PPolyproline II helixtrans-73.1124.8176.2-167.415.6000111.2D490D488-D490 PolarHBondContact O-N 3.49Å
489P46.9Very low43Very low111 Ų111146.5 Ų146.572%0.72183%0.834SS**  trans-98.479.4-168.237.6-35.7000114.4
490D49.9Very low43.2Very low165 Ų165147.9 Ų147.988%0.88284%0.836SS**  trans-163.190.1154.3-113.4-23.9000114.2D488D488-D490 PolarHBondContact O-N 3.49Å
491A48Very low43.6Very low91 Ų91145.9 Ų145.975%0.75284%0.835SS**  trans-158.4117.416500000111.8
492P55.3Low44Very low129 Ų129148.9 Ų148.984%0.83885%0.848SS**PPolyproline II helixtrans-80.6142.7-177.431.2-34.6000113.4
493S52.3Low44.7Very low113 Ų113152 Ų15279%0.7986%0.855SS**PPolyproline II helixtrans-78151.3-179-46.10000113.7
494P48.5Very low45.6Very low128 Ų128147.5 Ų147.583%0.83186%0.858SS**PPolyproline II helixtrans-69.1145.3162.431.4-34000110.7
495A52.3Low46.8Very low104 Ų104145.2 Ų145.286%0.8686%0.861SS**PPolyproline II helixtrans-84.7165.6-179.300000113.2
496V47.8Very low47.7Very low219 Ų219137.7 Ų137.7100%1.32786%0.859SS**  trans-78.80175.8-178.80000111.2

Retrieved 496 of 496 residues in 1279.9 ms (Link to these results)